NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588499 | 2mv4 | 25087 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H21 MYR 1 1H2 MYR 1 0.787 0.648 -0.812 2 H22 MYR 1 2H2 MYR 1 2.116 0.138 0.219 3 H31 MYR 1 1H3 MYR 1 -0.680 -1.159 0.253 4 H32 MYR 1 2H3 MYR 1 0.657 -1.796 -0.686 5 H41 MYR 1 1H4 MYR 1 2.002 -2.160 1.385 6 H42 MYR 1 2H4 MYR 1 0.755 -1.391 2.359 7 H51 MYR 1 1H5 MYR 1 -0.863 -3.188 1.648 8 H52 MYR 1 2H5 MYR 1 0.451 -4.013 0.801 9 H61 MYR 1 1H6 MYR 1 1.670 -4.383 2.892 10 H62 MYR 1 2H6 MYR 1 0.601 -3.293 3.774 11 H71 MYR 1 1H7 MYR 1 -1.339 -4.953 3.151 12 H72 MYR 1 2H7 MYR 1 -0.076 -6.052 2.626 13 H81 MYR 1 1H8 MYR 1 -0.623 -6.706 4.864 14 H82 MYR 1 2H8 MYR 1 0.932 -5.900 4.994 15 H91 MYR 1 1H9 MYR 1 -1.741 -4.449 5.506 16 H92 MYR 1 2H9 MYR 1 -0.123 -3.862 5.848 17 H101 MYR 1 1H10 MYR 1 -0.971 -4.503 7.963 18 H102 MYR 1 2H10 MYR 1 0.153 -5.756 7.527 19 H111 MYR 1 1H11 MYR 1 -2.293 -6.761 6.500 20 H112 MYR 1 2H11 MYR 1 -1.448 -7.277 7.931 21 H121 MYR 1 1H12 MYR 1 -3.552 -6.837 8.829 22 H122 MYR 1 2H12 MYR 1 -2.744 -5.314 9.169 23 H131 MYR 1 1H13 MYR 1 -3.791 -4.350 7.041 24 H132 MYR 1 2H13 MYR 1 -4.638 -5.878 6.807 25 H141 MYR 1 1H14 MYR 1 -6.127 -4.232 7.906 26 H142 MYR 1 2H14 MYR 1 -5.800 -5.560 9.028 27 H143 MYR 1 3H14 MYR 1 -4.967 -4.004 9.223 28 H GLY 2 H GLY 2 2.357 1.659 1.732 29 HA2 GLY 2 1HA GLY 2 0.440 1.857 3.839 30 HA3 GLY 2 2HA GLY 2 1.949 2.751 3.709 31 H GLN 3 H GLN 3 1.847 4.572 1.944 32 HA GLN 3 HA GLN 3 -0.258 6.332 2.860 33 HB2 GLN 3 1HB GLN 3 1.493 6.721 0.413 34 HB3 GLN 3 2HB GLN 3 0.637 7.963 1.334 35 HG2 GLN 3 1HG GLN 3 3.054 6.343 2.173 36 HG3 GLN 3 2HG GLN 3 2.952 8.087 1.943 37 HE21 GLN 3 2HE2 GLN 3 3.238 5.780 4.217 38 HE22 GLN 3 1HE2 GLN 3 2.476 6.604 5.573 39 H GLU 4 H GLU 4 0.033 4.021 0.369 40 HA GLU 4 HA GLU 4 -2.003 4.876 -1.463 41 HB2 GLU 4 1HB GLU 4 -0.166 3.256 -1.842 42 HB3 GLU 4 2HB GLU 4 -0.879 2.171 -0.676 43 HG2 GLU 4 1HG GLU 4 -2.777 1.774 -2.118 44 HG3 GLU 4 2HG GLU 4 -2.105 2.913 -3.296 45 H LEU 5 H LEU 5 -2.024 2.480 1.240 46 HA LEU 5 HA LEU 5 -4.854 2.043 1.205 47 HB2 LEU 5 1HB LEU 5 -2.673 1.642 3.248 48 HB3 LEU 5 2HB LEU 5 -4.349 1.338 3.655 49 HG LEU 5 HG LEU 5 -2.976 -0.042 1.339 50 HD11 LEU 5 1HD1 LEU 5 -3.299 -1.025 4.200 51 HD12 LEU 5 2HD1 LEU 5 -1.771 -0.520 3.433 52 HD13 LEU 5 3HD1 LEU 5 -2.634 -1.949 2.834 53 HD21 LEU 5 3HD2 LEU 5 -5.450 -0.058 1.329 54 HD22 LEU 5 1HD2 LEU 5 -5.447 -0.785 2.951 55 HD23 LEU 5 2HD2 LEU 5 -4.769 -1.675 1.567 56 H SER 6 H SER 6 -2.842 4.369 3.048 57 HA SER 6 HA SER 6 -4.845 5.430 4.741 58 HB2 SER 6 1HB SER 6 -2.188 6.105 3.858 59 HB3 SER 6 2HB SER 6 -3.189 7.568 3.837 60 HG SER 6 HG SER 6 -2.159 7.103 5.874 61 H GLN 7 H GLN 7 -4.779 5.676 1.274 62 HA GLN 7 HA GLN 7 -6.445 8.147 1.359 63 HB2 GLN 7 1HB GLN 7 -5.200 6.581 -0.916 64 HB3 GLN 7 2HB GLN 7 -6.268 7.973 -1.145 65 HG2 GLN 7 1HG GLN 7 -4.719 9.435 -0.009 66 HG3 GLN 7 2HG GLN 7 -3.695 8.075 0.446 67 HE21 GLN 7 2HE2 GLN 7 -2.168 7.359 -0.904 68 HE22 GLN 7 1HE2 GLN 7 -1.903 8.013 -2.512 69 H HIS 8 H HIS 8 -6.857 4.740 1.391 70 HA HIS 8 HA HIS 8 -9.381 4.843 -0.146 71 HB2 HIS 8 1HB HIS 8 -7.552 2.849 0.317 72 HB3 HIS 8 2HB HIS 8 -8.823 2.411 1.437 73 HD1 HIS 8 HD1 HIS 8 -7.814 1.537 -1.806 74 HD2 HIS 8 HD2 HIS 8 -11.500 2.796 -0.247 75 HE1 HIS 8 HE1 HIS 8 -9.614 0.746 -3.429 76 H GLU 9 H GLU 9 -10.697 6.185 0.955 77 HA GLU 9 HA GLU 9 -10.959 6.671 3.591 78 HB2 GLU 9 1HB GLU 9 -13.074 7.593 3.148 79 HB3 GLU 9 2HB GLU 9 -12.131 7.751 1.670 80 HG2 GLU 9 1HG GLU 9 -14.360 5.722 2.171 81 HG3 GLU 9 2HG GLU 9 -14.480 7.183 1.198 82 H ARG 10 H ARG 10 -12.662 3.855 2.108 83 HA ARG 10 HA ARG 10 -14.211 3.311 4.482 84 HB2 ARG 10 1HB ARG 10 -13.410 1.709 2.051 85 HB3 ARG 10 2HB ARG 10 -14.308 0.951 3.374 86 HG2 ARG 10 1HG ARG 10 -16.249 2.037 2.888 87 HG3 ARG 10 2HG ARG 10 -15.427 3.527 2.401 88 HD2 ARG 10 1HD ARG 10 -14.853 1.356 0.538 89 HD3 ARG 10 2HD ARG 10 -16.596 1.623 0.702 90 HE ARG 10 HE ARG 10 -14.559 3.634 -0.177 91 HH11 ARG 10 1HH1 ARG 10 -17.984 2.776 0.150 92 HH12 ARG 10 2HH1 ARG 10 -18.502 4.139 -0.803 93 HH21 ARG 10 1HH2 ARG 10 -15.296 5.346 -1.357 94 HH22 ARG 10 2HH2 ARG 10 -17.011 5.552 -1.656 95 H TYR 11 H TYR 11 -11.002 2.310 3.454 96 HA TYR 11 HA TYR 11 -10.669 0.370 5.598 97 HB2 TYR 11 1HB TYR 11 -9.462 0.171 3.481 98 HB3 TYR 11 2HB TYR 11 -8.716 1.753 3.729 99 HD1 TYR 11 HD2 TYR 11 -9.070 -1.524 5.580 100 HD2 TYR 11 HD1 TYR 11 -6.544 1.800 4.534 101 HE1 TYR 11 HE2 TYR 11 -7.158 -2.575 6.778 102 HE2 TYR 11 HE1 TYR 11 -4.646 0.714 5.725 103 HH TYR 11 HH TYR 11 -3.943 -1.060 6.932 104 H VAL 12 H VAL 12 -9.896 3.785 4.993 105 HA VAL 12 HA VAL 12 -8.312 4.233 7.316 106 HB VAL 12 HB VAL 12 -10.134 6.145 5.783 107 HG11 VAL 12 1HG1 VAL 12 -7.866 6.833 7.691 108 HG12 VAL 12 2HG1 VAL 12 -8.868 7.975 6.773 109 HG13 VAL 12 3HG1 VAL 12 -9.596 7.006 8.071 110 HG21 VAL 12 3HG2 VAL 12 -8.251 5.082 4.485 111 HG22 VAL 12 1HG2 VAL 12 -8.112 6.839 4.634 112 HG23 VAL 12 2HG2 VAL 12 -7.114 5.775 5.649 113 H GLU 13 H GLU 13 -11.899 4.275 6.887 114 HA GLU 13 HA GLU 13 -12.448 5.322 9.493 115 HB2 GLU 13 1HB GLU 13 -14.105 3.361 7.857 116 HB3 GLU 13 2HB GLU 13 -14.660 4.246 9.279 117 HG2 GLU 13 1HG GLU 13 -13.948 5.366 6.569 118 HG3 GLU 13 2HG GLU 13 -15.515 5.387 7.369 119 H GLN 14 H GLN 14 -11.984 1.932 8.387 120 HA GLN 14 HA GLN 14 -12.480 0.845 11.021 121 HB2 GLN 14 1HB GLN 14 -11.027 -0.302 8.615 122 HB3 GLN 14 2HB GLN 14 -11.366 -1.195 10.103 123 HG2 GLN 14 1HG GLN 14 -13.410 -0.039 8.183 124 HG3 GLN 14 2HG GLN 14 -13.035 -1.750 8.439 125 HE21 GLN 14 2HE2 GLN 14 -13.112 -2.266 11.002 126 HE22 GLN 14 1HE2 GLN 14 -14.606 -1.739 11.748 127 H LEU 15 H LEU 15 -9.532 1.911 9.287 128 HA LEU 15 HA LEU 15 -7.780 0.971 11.359 129 HB2 LEU 15 1HB LEU 15 -7.549 2.911 9.102 130 HB3 LEU 15 2HB LEU 15 -6.371 3.002 10.396 131 HG LEU 15 HG LEU 15 -6.807 0.696 8.499 132 HD11 LEU 15 1HD1 LEU 15 -4.421 1.262 7.986 133 HD12 LEU 15 2HD1 LEU 15 -4.527 2.620 9.124 134 HD13 LEU 15 3HD1 LEU 15 -5.539 2.600 7.656 135 HD21 LEU 15 3HD2 LEU 15 -6.316 -0.354 10.641 136 HD22 LEU 15 1HD2 LEU 15 -5.019 0.820 10.973 137 HD23 LEU 15 2HD2 LEU 15 -4.843 -0.371 9.661 138 H LYS 16 H LYS 16 -9.812 3.857 11.168 139 HA LYS 16 HA LYS 16 -8.325 5.367 13.137 140 HB2 LYS 16 1HB LYS 16 -11.177 5.397 12.165 141 HB3 LYS 16 2HB LYS 16 -10.759 6.253 13.650 142 HG2 LYS 16 1HG LYS 16 -8.978 7.479 12.381 143 HG3 LYS 16 2HG LYS 16 -9.612 6.768 10.887 144 HD2 LYS 16 1HD LYS 16 -11.406 8.264 12.805 145 HD3 LYS 16 2HD LYS 16 -10.425 9.137 11.616 146 HE2 LYS 16 1HE LYS 16 -12.167 6.858 10.729 147 HE3 LYS 16 2HE LYS 16 -12.889 8.438 11.054 148 HZ1 LYS 16 3HZ LYS 16 -11.395 9.395 9.436 149 HZ2 LYS 16 1HZ LYS 16 -12.292 8.189 8.752 150 HZ3 LYS 16 2HZ LYS 16 -10.708 7.924 9.136 151 H GLN 17 H GLN 17 -10.707 2.770 13.307 152 HA GLN 17 HA GLN 17 -11.015 2.909 16.186 153 HB2 GLN 17 1HB GLN 17 -11.450 0.587 14.266 154 HB3 GLN 17 2HB GLN 17 -12.042 0.673 15.922 155 HG2 GLN 17 1HG GLN 17 -13.658 2.309 15.384 156 HG3 GLN 17 2HG GLN 17 -12.848 2.754 13.878 157 HE21 GLN 17 2HE2 GLN 17 -14.240 2.332 12.307 158 HE22 GLN 17 1HE2 GLN 17 -15.044 0.798 12.060 159 H ALA 18 H ALA 18 -9.109 0.870 13.920 160 HA ALA 18 HA ALA 18 -7.842 -0.685 15.902 161 HB1 ALA 18 3HB ALA 18 -6.283 -1.330 14.139 162 HB2 ALA 18 1HB ALA 18 -7.945 -1.250 13.503 163 HB3 ALA 18 2HB ALA 18 -6.788 0.061 13.151 164 H LEU 19 H LEU 19 -6.646 2.406 14.437 165 HA LEU 19 HA LEU 19 -4.097 2.325 15.779 166 HB2 LEU 19 1HB LEU 19 -5.769 4.457 14.471 167 HB3 LEU 19 2HB LEU 19 -4.556 4.980 15.625 168 HG LEU 19 HG LEU 19 -2.969 3.437 14.113 169 HD11 LEU 19 1HD1 LEU 19 -4.606 2.750 12.470 170 HD12 LEU 19 2HD1 LEU 19 -3.499 3.915 11.697 171 HD13 LEU 19 3HD1 LEU 19 -5.125 4.427 12.211 172 HD21 LEU 19 3HD2 LEU 19 -2.658 5.837 14.677 173 HD22 LEU 19 1HD2 LEU 19 -3.773 6.272 13.364 174 HD23 LEU 19 2HD2 LEU 19 -2.224 5.468 12.991 175 H LYS 20 H LYS 20 -7.303 3.601 16.678 176 HA LYS 20 HA LYS 20 -6.330 4.860 19.094 177 HB2 LYS 20 1HB LYS 20 -8.329 5.581 17.789 178 HB3 LYS 20 2HB LYS 20 -9.162 4.102 18.278 179 HG2 LYS 20 1HG LYS 20 -9.029 4.802 20.640 180 HG3 LYS 20 2HG LYS 20 -8.183 6.285 20.150 181 HD2 LYS 20 1HD LYS 20 -10.124 7.036 18.894 182 HD3 LYS 20 2HD LYS 20 -10.946 5.486 19.164 183 HE2 LYS 20 1HE LYS 20 -11.852 7.158 20.687 184 HE3 LYS 20 2HE LYS 20 -10.971 5.920 21.604 185 HZ1 LYS 20 3HZ LYS 20 -10.442 8.141 22.381 186 HZ2 LYS 20 1HZ LYS 20 -9.912 8.595 20.886 187 HZ3 LYS 20 2HZ LYS 20 -9.094 7.442 21.737 188 H THR 21 H THR 21 -7.919 1.702 18.456 189 HA THR 21 HA THR 21 -8.607 1.249 21.170 190 HB THR 21 HB THR 21 -9.495 0.008 19.116 191 HG1 THR 21 HG1 THR 21 -8.658 -1.358 21.468 192 HG21 THR 21 1HG2 THR 21 -7.127 -1.835 19.619 193 HG22 THR 21 2HG2 THR 21 -7.215 -0.693 18.260 194 HG23 THR 21 3HG2 THR 21 -8.397 -1.997 18.393 195 H ARG 22 H ARG 22 -5.486 0.881 19.617 196 HA ARG 22 HA ARG 22 -4.531 -0.853 21.801 197 HB2 ARG 22 1HB ARG 22 -3.751 -0.397 19.151 198 HB3 ARG 22 2HB ARG 22 -2.460 0.327 20.110 199 HG2 ARG 22 1HG ARG 22 -3.484 -2.528 20.430 200 HG3 ARG 22 2HG ARG 22 -2.033 -2.069 19.522 201 HD2 ARG 22 1HD ARG 22 -1.024 -1.153 21.583 202 HD3 ARG 22 2HD ARG 22 -2.480 -1.589 22.494 203 HE ARG 22 HE ARG 22 -1.466 -3.923 21.189 204 HH11 ARG 22 1HH1 ARG 22 -0.739 -1.801 23.928 205 HH12 ARG 22 2HH1 ARG 22 0.104 -3.062 24.789 206 HH21 ARG 22 1HH2 ARG 22 -0.358 -5.452 22.307 207 HH22 ARG 22 2HH2 ARG 22 0.305 -5.099 23.892 208 H GLY 23 H GLY 23 -5.066 2.465 21.402 209 HA2 GLY 23 1HA GLY 23 -4.591 4.199 22.830 210 HA3 GLY 23 2HA GLY 23 -3.814 3.046 23.920 211 H VAL 24 H VAL 24 -2.437 2.871 20.828 212 HA VAL 24 HA VAL 24 0.015 4.076 21.878 213 HB VAL 24 HB VAL 24 -0.588 2.755 19.187 214 HG11 VAL 24 1HG1 VAL 24 2.080 3.576 20.427 215 HG12 VAL 24 2HG1 VAL 24 1.874 2.639 18.928 216 HG13 VAL 24 3HG1 VAL 24 1.310 4.314 19.004 217 HG21 VAL 24 3HG2 VAL 24 0.870 1.720 21.670 218 HG22 VAL 24 1HG2 VAL 24 -0.738 1.205 21.127 219 HG23 VAL 24 2HG2 VAL 24 0.684 0.845 20.135 220 H LYS 25 H LYS 25 0.622 6.098 21.570 221 HA LYS 25 HA LYS 25 -1.169 7.888 20.114 222 HB2 LYS 25 1HB LYS 25 1.440 8.412 21.596 223 HB3 LYS 25 2HB LYS 25 0.311 9.652 21.030 224 HG2 LYS 25 1HG LYS 25 -1.417 8.787 22.567 225 HG3 LYS 25 2HG LYS 25 -0.308 7.508 23.102 226 HD2 LYS 25 1HD LYS 25 1.291 9.249 23.879 227 HD3 LYS 25 2HD LYS 25 0.104 10.499 23.445 228 HE2 LYS 25 1HE LYS 25 -1.523 9.504 25.023 229 HE3 LYS 25 2HE LYS 25 -0.355 8.232 25.434 230 HZ1 LYS 25 3HZ LYS 25 1.123 9.948 26.296 231 HZ2 LYS 25 1HZ LYS 25 -0.333 10.010 27.068 232 HZ3 LYS 25 2HZ LYS 25 0.040 11.133 25.918 233 H VAL 26 H VAL 26 -0.849 7.115 17.945 234 HA VAL 26 HA VAL 26 1.544 8.379 16.687 235 HB VAL 26 HB VAL 26 1.572 6.454 15.018 236 HG11 VAL 26 1HG1 VAL 26 2.325 5.856 17.896 237 HG12 VAL 26 2HG1 VAL 26 2.889 4.932 16.486 238 HG13 VAL 26 3HG1 VAL 26 3.328 6.644 16.664 239 HG21 VAL 26 3HG2 VAL 26 0.641 4.284 15.673 240 HG22 VAL 26 1HG2 VAL 26 -0.041 4.988 17.154 241 HG23 VAL 26 2HG2 VAL 26 -0.652 5.490 15.564 242 H LYS 27 H LYS 27 1.247 8.944 14.481 243 HA LYS 27 HA LYS 27 -1.565 9.703 13.881 244 HB2 LYS 27 1HB LYS 27 0.500 11.219 13.719 245 HB3 LYS 27 2HB LYS 27 1.015 10.243 12.347 246 HG2 LYS 27 1HG LYS 27 -0.993 10.937 11.095 247 HG3 LYS 27 2HG LYS 27 -1.526 11.898 12.495 248 HD2 LYS 27 1HD LYS 27 0.577 13.209 12.373 249 HD3 LYS 27 2HD LYS 27 1.079 12.263 10.960 250 HE2 LYS 27 1HE LYS 27 -0.911 13.076 9.719 251 HE3 LYS 27 2HE LYS 27 -1.388 14.040 11.135 252 HZ1 LYS 27 3HZ LYS 27 1.148 14.359 9.623 253 HZ2 LYS 27 1HZ LYS 27 0.698 15.256 10.932 254 HZ3 LYS 27 2HZ LYS 27 -0.156 15.367 9.524 255 H PHE 28 H PHE 28 -2.391 9.195 11.640 256 HA PHE 28 HA PHE 28 -2.076 6.467 10.850 257 HB2 PHE 28 1HB PHE 28 -3.219 8.982 9.679 258 HB3 PHE 28 2HB PHE 28 -2.789 7.717 8.524 259 HD1 PHE 28 HD1 PHE 28 -4.707 8.192 11.726 260 HD2 PHE 28 HD2 PHE 28 -4.289 6.046 8.019 261 HE1 PHE 28 HE1 PHE 28 -6.845 7.015 12.166 262 HE2 PHE 28 HE2 PHE 28 -6.428 4.882 8.446 263 HZ PHE 28 HZ PHE 28 -7.717 5.370 10.508 264 H ALA 29 H ALA 29 -0.452 9.451 9.766 265 HA ALA 29 HA ALA 29 0.957 8.349 7.585 266 HB1 ALA 29 3HB ALA 29 0.819 10.786 8.141 267 HB2 ALA 29 1HB ALA 29 1.899 10.496 9.539 268 HB3 ALA 29 2HB ALA 29 2.490 10.233 7.882 269 H ASP 30 H ASP 30 1.619 8.306 11.071 270 HA ASP 30 HA ASP 30 4.318 7.376 10.812 271 HB2 ASP 30 1HB ASP 30 2.431 7.157 13.176 272 HB3 ASP 30 2HB ASP 30 4.190 7.025 13.232 273 H LEU 31 H LEU 31 1.125 5.837 11.352 274 HA LEU 31 HA LEU 31 2.293 3.229 11.744 275 HB2 LEU 31 1HB LEU 31 0.059 3.715 12.630 276 HB3 LEU 31 2HB LEU 31 -0.541 4.012 10.993 277 HG LEU 31 HG LEU 31 -0.088 1.661 10.378 278 HD11 LEU 31 1HD1 LEU 31 1.741 1.055 11.761 279 HD12 LEU 31 2HD1 LEU 31 0.382 0.030 12.243 280 HD13 LEU 31 3HD1 LEU 31 0.831 1.423 13.251 281 HD21 LEU 31 3HD2 LEU 31 -1.765 1.953 12.868 282 HD22 LEU 31 1HD2 LEU 31 -1.806 0.574 11.744 283 HD23 LEU 31 2HD2 LEU 31 -2.284 2.181 11.178 284 H LEU 32 H LEU 32 0.498 4.701 9.031 285 HA LEU 32 HA LEU 32 0.846 2.432 7.335 286 HB2 LEU 32 1HB LEU 32 0.153 5.310 6.816 287 HB3 LEU 32 2HB LEU 32 0.461 4.219 5.485 288 HG LEU 32 HG LEU 32 -1.890 4.362 5.784 289 HD11 LEU 32 1HD1 LEU 32 -1.123 1.699 7.004 290 HD12 LEU 32 2HD1 LEU 32 -1.017 2.087 5.273 291 HD13 LEU 32 3HD1 LEU 32 -2.588 2.095 6.081 292 HD21 LEU 32 3HD2 LEU 32 -1.909 5.107 8.095 293 HD22 LEU 32 1HD2 LEU 32 -1.527 3.453 8.644 294 HD23 LEU 32 2HD2 LEU 32 -3.058 3.808 7.784 295 H LYS 33 H LYS 33 3.075 4.939 8.144 296 HA LYS 33 HA LYS 33 4.930 4.787 5.988 297 HB2 LYS 33 1HB LYS 33 5.207 6.254 7.952 298 HB3 LYS 33 2HB LYS 33 5.422 4.846 8.987 299 HG2 LYS 33 1HG LYS 33 7.499 4.283 7.808 300 HG3 LYS 33 2HG LYS 33 7.299 5.735 6.799 301 HD2 LYS 33 1HD LYS 33 7.358 7.144 8.826 302 HD3 LYS 33 2HD LYS 33 7.494 5.692 9.839 303 HE2 LYS 33 1HE LYS 33 9.694 6.673 9.572 304 HE3 LYS 33 2HE LYS 33 9.633 5.123 8.705 305 HZ1 LYS 33 3HZ LYS 33 9.335 7.797 7.459 306 HZ2 LYS 33 1HZ LYS 33 9.281 6.358 6.654 307 HZ3 LYS 33 2HZ LYS 33 10.682 6.847 7.377 308 H PHE 34 H PHE 34 4.259 2.482 8.608 309 HA PHE 34 HA PHE 34 6.481 0.758 7.800 310 HB2 PHE 34 1HB PHE 34 4.360 0.578 9.931 311 HB3 PHE 34 2HB PHE 34 5.546 -0.688 9.647 312 HD1 PHE 34 HD1 PHE 34 5.036 2.757 10.794 313 HD2 PHE 34 HD2 PHE 34 7.933 -0.340 10.145 314 HE1 PHE 34 HE1 PHE 34 6.705 4.089 12.049 315 HE2 PHE 34 HE2 PHE 34 9.627 0.977 11.413 316 HZ PHE 34 HZ PHE 34 9.014 3.211 12.355 317 H PHE 35 H PHE 35 3.083 1.051 7.089 318 HA PHE 35 HA PHE 35 2.785 -1.613 5.966 319 HB2 PHE 35 1HB PHE 35 1.287 0.985 5.627 320 HB3 PHE 35 2HB PHE 35 0.915 -0.433 4.654 321 HD1 PHE 35 HD2 PHE 35 1.576 0.165 8.355 322 HD2 PHE 35 HD1 PHE 35 -0.972 -1.517 5.332 323 HE1 PHE 35 HE2 PHE 35 0.067 -0.718 10.117 324 HE2 PHE 35 HE1 PHE 35 -2.489 -2.390 7.094 325 HZ PHE 35 HZ PHE 35 -1.974 -1.993 9.494 326 H ASP 36 H ASP 36 4.065 1.534 4.848 327 HA ASP 36 HA ASP 36 4.378 0.714 2.071 328 HB2 ASP 36 1HB ASP 36 5.864 2.763 3.768 329 HB3 ASP 36 2HB ASP 36 6.181 2.508 2.052 330 H PHE 37 H PHE 37 6.303 0.483 5.042 331 HA PHE 37 HA PHE 37 8.720 -0.383 3.830 332 HB2 PHE 37 1HB PHE 37 8.416 0.539 6.145 333 HB3 PHE 37 2HB PHE 37 7.732 -1.015 6.631 334 HD1 PHE 37 HD2 PHE 37 10.803 0.439 5.015 335 HD2 PHE 37 HD1 PHE 37 9.153 -2.648 7.518 336 HE1 PHE 37 HE2 PHE 37 13.101 -0.407 5.481 337 HE2 PHE 37 HE1 PHE 37 11.447 -3.500 7.988 338 HZ PHE 37 HZ PHE 37 13.425 -2.382 6.963 339 H VAL 38 H VAL 38 5.921 -2.315 5.058 340 HA VAL 38 HA VAL 38 7.295 -4.809 4.590 341 HB VAL 38 HB VAL 38 5.429 -5.047 6.032 342 HG11 VAL 38 1HG1 VAL 38 4.172 -3.080 5.486 343 HG12 VAL 38 2HG1 VAL 38 3.696 -3.762 3.917 344 HG13 VAL 38 3HG1 VAL 38 3.113 -4.492 5.428 345 HG21 VAL 38 3HG2 VAL 38 4.051 -6.754 5.005 346 HG22 VAL 38 1HG2 VAL 38 4.384 -6.132 3.375 347 HG23 VAL 38 2HG2 VAL 38 5.682 -6.892 4.322 348 H LYS 39 H LYS 39 5.346 -2.681 2.429 349 HA LYS 39 HA LYS 39 5.265 -4.638 0.316 350 HB2 LYS 39 1HB LYS 39 3.962 -2.393 0.566 351 HB3 LYS 39 2HB LYS 39 5.367 -1.661 -0.211 352 HG2 LYS 39 1HG LYS 39 5.047 -3.231 -2.161 353 HG3 LYS 39 2HG LYS 39 3.611 -3.884 -1.352 354 HD2 LYS 39 1HD LYS 39 2.696 -1.501 -1.346 355 HD3 LYS 39 2HD LYS 39 4.008 -1.069 -2.442 356 HE2 LYS 39 1HE LYS 39 3.199 -2.720 -4.085 357 HE3 LYS 39 2HE LYS 39 1.947 -3.267 -2.962 358 HZ1 LYS 39 3HZ LYS 39 2.042 -0.521 -4.107 359 HZ2 LYS 39 1HZ LYS 39 0.830 -1.141 -3.184 360 HZ3 LYS 39 2HZ LYS 39 1.105 -1.742 -4.697 361 H ASP 40 H ASP 40 7.630 -2.107 1.178 362 HA ASP 40 HA ASP 40 9.226 -2.504 -1.201 363 HB2 ASP 40 1HB ASP 40 9.043 -0.474 0.459 364 HB3 ASP 40 2HB ASP 40 10.311 -1.322 1.355 365 H THR 41 H THR 41 9.194 -4.076 1.965 366 HA THR 41 HA THR 41 11.829 -5.343 1.400 367 HB THR 41 HB THR 41 10.145 -5.898 3.884 368 HG1 THR 41 HG1 THR 41 10.346 -3.634 3.723 369 HG21 THR 41 1HG2 THR 41 12.406 -6.130 4.895 370 HG22 THR 41 2HG2 THR 41 13.134 -5.828 3.306 371 HG23 THR 41 3HG2 THR 41 12.143 -7.283 3.569 372 H CYS 42 H CYS 42 8.392 -6.114 1.574 373 HA CYS 42 HA CYS 42 9.009 -8.920 0.724 374 HB2 CYS 42 1HB CYS 42 6.678 -7.897 2.390 375 HB3 CYS 42 2HB CYS 42 6.889 -9.558 1.829 376 HG CYS 42 HG CYS 42 8.938 -7.841 3.743 377 HA PRO 43 HA PRO 43 6.486 -6.635 -2.416 378 HB2 PRO 43 1HB PRO 43 7.735 -7.511 -4.676 379 HB3 PRO 43 2HB PRO 43 8.401 -6.178 -3.677 380 HG2 PRO 43 1HG PRO 43 9.128 -9.103 -3.644 381 HG3 PRO 43 2HG PRO 43 10.207 -7.677 -3.767 382 HD2 PRO 43 1HD PRO 43 9.737 -8.934 -1.403 383 HD3 PRO 43 2HD PRO 43 9.951 -7.144 -1.499 384 H TRP 44 H TRP 44 7.315 -9.913 -1.811 385 HA TRP 44 HA TRP 44 5.355 -11.076 -3.633 386 HB2 TRP 44 1HB TRP 44 6.034 -13.129 -2.134 387 HB3 TRP 44 2HB TRP 44 7.143 -12.487 -3.358 388 HD1 TRP 44 HD1 TRP 44 6.487 -11.934 0.406 389 HE1 TRP 44 HE1 TRP 44 8.685 -11.501 1.633 390 HE3 TRP 44 HE3 TRP 44 9.543 -12.015 -3.665 391 HZ2 TRP 44 HZ2 TRP 44 11.425 -11.161 0.911 392 HZ3 TRP 44 HZ3 TRP 44 11.993 -11.611 -3.341 393 HH2 TRP 44 HH2 TRP 44 12.911 -11.178 -1.060 394 H PHE 45 H PHE 45 5.248 -9.702 -0.426 395 HA PHE 45 HA PHE 45 3.184 -11.422 0.600 396 HB2 PHE 45 1HB PHE 45 4.510 -9.923 2.041 397 HB3 PHE 45 2HB PHE 45 3.738 -8.519 1.298 398 HD1 PHE 45 HD2 PHE 45 1.305 -8.074 1.671 399 HD2 PHE 45 HD1 PHE 45 3.356 -11.268 3.700 400 HE1 PHE 45 HE2 PHE 45 -0.576 -8.255 3.276 401 HE2 PHE 45 HE1 PHE 45 1.482 -11.427 5.339 402 HZ PHE 45 HZ PHE 45 -0.496 -9.910 5.123 403 HA PRO 46 HA PRO 46 -0.021 -8.479 -1.058 404 HB2 PRO 46 1HB PRO 46 0.443 -6.873 -3.218 405 HB3 PRO 46 2HB PRO 46 0.700 -6.314 -1.533 406 HG2 PRO 46 1HG PRO 46 2.708 -7.431 -3.465 407 HG3 PRO 46 2HG PRO 46 2.768 -5.898 -2.536 408 HD2 PRO 46 1HD PRO 46 4.016 -8.083 -1.629 409 HD3 PRO 46 2HD PRO 46 3.127 -7.018 -0.495 410 H GLN 47 H GLN 47 2.413 -10.001 -3.070 411 HA GLN 47 HA GLN 47 0.688 -10.662 -5.280 412 HB2 GLN 47 1HB GLN 47 3.319 -10.720 -5.005 413 HB3 GLN 47 2HB GLN 47 3.022 -12.366 -4.437 414 HG2 GLN 47 1HG GLN 47 3.338 -12.780 -6.660 415 HG3 GLN 47 2HG GLN 47 1.588 -12.508 -6.674 416 HE21 GLN 47 2HE2 GLN 47 4.230 -11.902 -8.392 417 HE22 GLN 47 1HE2 GLN 47 3.867 -10.311 -9.026 418 H GLU 48 H GLU 48 1.435 -12.172 -2.135 419 HA GLU 48 HA GLU 48 0.013 -14.644 -2.709 420 HB2 GLU 48 1HB GLU 48 0.756 -13.282 -0.086 421 HB3 GLU 48 2HB GLU 48 -0.006 -14.871 -0.198 422 HG2 GLU 48 1HG GLU 48 1.959 -15.676 -1.529 423 HG3 GLU 48 2HG GLU 48 2.745 -14.120 -1.241 424 H GLY 49 H GLY 49 -0.833 -11.405 -1.699 425 HA2 GLY 49 1HA GLY 49 -2.841 -10.378 -1.308 426 HA3 GLY 49 2HA GLY 49 -3.530 -11.588 -2.384 427 H THR 50 H THR 50 -2.017 -12.496 0.640 428 HA THR 50 HA THR 50 -4.721 -13.141 1.762 429 HB THR 50 HB THR 50 -2.182 -14.828 1.807 430 HG1 THR 50 HG1 THR 50 -3.407 -14.779 -0.209 431 HG21 THR 50 1HG2 THR 50 -4.935 -15.252 3.023 432 HG22 THR 50 2HG2 THR 50 -3.341 -15.298 3.832 433 HG23 THR 50 3HG2 THR 50 -3.802 -16.589 2.710 434 H ILE 51 H ILE 51 -4.995 -12.382 3.784 435 HA ILE 51 HA ILE 51 -2.506 -11.625 5.269 436 HB ILE 51 HB ILE 51 -5.158 -10.152 5.211 437 HG12 ILE 51 1HG1 ILE 51 -2.396 -9.444 4.149 438 HG13 ILE 51 2HG1 ILE 51 -3.770 -9.913 3.159 439 HG21 ILE 51 1HG2 ILE 51 -3.986 -10.092 7.460 440 HG22 ILE 51 2HG2 ILE 51 -2.547 -9.421 6.655 441 HG23 ILE 51 3HG2 ILE 51 -4.078 -8.507 6.683 442 HD11 ILE 51 3HD1 ILE 51 -3.564 -7.600 3.018 443 HD12 ILE 51 1HD1 ILE 51 -4.981 -7.932 4.036 444 HD13 ILE 51 2HD1 ILE 51 -3.440 -7.419 4.772 445 H ASP 52 H ASP 52 -2.248 -13.251 6.516 446 HA ASP 52 HA ASP 52 -4.216 -13.647 8.685 447 HB2 ASP 52 1HB ASP 52 -4.624 -15.510 7.053 448 HB3 ASP 52 2HB ASP 52 -2.899 -15.915 7.160 449 H ILE 53 H ILE 53 -3.002 -14.745 10.515 450 HA ILE 53 HA ILE 53 -0.507 -13.403 10.788 451 HB ILE 53 HB ILE 53 -2.111 -13.985 12.590 452 HG12 ILE 53 1HG1 ILE 53 -0.357 -14.529 14.292 453 HG13 ILE 53 2HG1 ILE 53 0.749 -14.883 12.977 454 HG21 ILE 53 1HG2 ILE 53 -0.927 -16.778 12.437 455 HG22 ILE 53 2HG2 ILE 53 -2.063 -16.174 13.664 456 HG23 ILE 53 3HG2 ILE 53 -2.589 -16.324 11.975 457 HD11 ILE 53 3HD1 ILE 53 0.969 -12.613 14.085 458 HD12 ILE 53 1HD1 ILE 53 0.895 -12.631 12.315 459 HD13 ILE 53 2HD1 ILE 53 -0.543 -12.177 13.262 460 H LYS 54 H LYS 54 -1.356 -16.625 9.638 461 HA LYS 54 HA LYS 54 1.284 -17.763 9.845 462 HB2 LYS 54 1HB LYS 54 -1.003 -18.280 7.914 463 HB3 LYS 54 2HB LYS 54 0.479 -19.248 7.970 464 HG2 LYS 54 1HG LYS 54 0.023 -19.824 10.336 465 HG3 LYS 54 2HG LYS 54 -1.483 -18.903 10.283 466 HD2 LYS 54 1HD LYS 54 -0.894 -21.248 8.432 467 HD3 LYS 54 2HD LYS 54 -1.684 -21.435 10.003 468 HE2 LYS 54 1HE LYS 54 -2.757 -19.721 7.716 469 HE3 LYS 54 2HE LYS 54 -3.298 -21.363 8.102 470 HZ1 LYS 54 3HZ LYS 54 -3.929 -20.457 10.342 471 HZ2 LYS 54 1HZ LYS 54 -4.817 -19.856 9.089 472 HZ3 LYS 54 2HZ LYS 54 -3.632 -18.932 9.765 473 H ARG 55 H ARG 55 -0.172 -15.509 7.545 474 HA ARG 55 HA ARG 55 2.139 -15.669 5.709 475 HB2 ARG 55 1HB ARG 55 -0.131 -13.643 5.825 476 HB3 ARG 55 2HB ARG 55 1.002 -13.861 4.497 477 HG2 ARG 55 1HG ARG 55 -0.977 -16.009 5.373 478 HG3 ARG 55 2HG ARG 55 -1.323 -14.771 4.171 479 HD2 ARG 55 1HD ARG 55 0.732 -15.569 2.917 480 HD3 ARG 55 2HD ARG 55 0.695 -16.983 3.982 481 HE ARG 55 HE ARG 55 -1.872 -16.696 2.915 482 HH11 ARG 55 1HH1 ARG 55 1.348 -17.328 1.572 483 HH12 ARG 55 2HH1 ARG 55 0.684 -18.200 0.220 484 HH21 ARG 55 1HH2 ARG 55 -2.613 -17.767 1.123 485 HH22 ARG 55 2HH2 ARG 55 -1.496 -18.434 -0.034 486 H TRP 56 H TRP 56 0.733 -13.420 8.113 487 HA TRP 56 HA TRP 56 2.599 -11.320 7.718 488 HB2 TRP 56 1HB TRP 56 0.386 -11.174 8.845 489 HB3 TRP 56 2HB TRP 56 1.075 -12.008 10.241 490 HD1 TRP 56 HD1 TRP 56 1.964 -10.419 12.071 491 HE1 TRP 56 HE1 TRP 56 2.746 -8.001 12.273 492 HE3 TRP 56 HE3 TRP 56 1.645 -9.184 7.120 493 HZ2 TRP 56 HZ2 TRP 56 3.206 -5.817 10.499 494 HZ3 TRP 56 HZ3 TRP 56 2.315 -6.883 6.418 495 HH2 TRP 56 HH2 TRP 56 3.094 -5.218 8.104 496 H ARG 57 H ARG 57 2.877 -14.248 9.698 497 HA ARG 57 HA ARG 57 5.029 -13.342 11.337 498 HB2 ARG 57 1HB ARG 57 4.129 -16.046 10.400 499 HB3 ARG 57 2HB ARG 57 5.605 -15.860 11.367 500 HG2 ARG 57 1HG ARG 57 4.440 -15.053 13.244 501 HG3 ARG 57 2HG ARG 57 3.017 -14.605 12.291 502 HD2 ARG 57 1HD ARG 57 2.526 -16.975 11.886 503 HD3 ARG 57 2HD ARG 57 3.937 -17.426 12.863 504 HE ARG 57 HE ARG 57 2.099 -15.680 14.287 505 HH11 ARG 57 1HH1 ARG 57 2.578 -19.066 13.433 506 HH12 ARG 57 2HH1 ARG 57 1.507 -19.626 14.690 507 HH21 ARG 57 1HH2 ARG 57 0.691 -16.465 15.846 508 HH22 ARG 57 2HH2 ARG 57 0.487 -18.182 16.039 509 H ARG 58 H ARG 58 5.018 -14.840 8.119 510 HA ARG 58 HA ARG 58 7.827 -14.947 7.734 511 HB2 ARG 58 1HB ARG 58 5.601 -14.465 5.731 512 HB3 ARG 58 2HB ARG 58 7.289 -14.704 5.291 513 HG2 ARG 58 1HG ARG 58 7.231 -16.909 6.449 514 HG3 ARG 58 2HG ARG 58 5.476 -16.704 6.657 515 HD2 ARG 58 1HD ARG 58 5.138 -16.596 4.267 516 HD3 ARG 58 2HD ARG 58 6.880 -16.495 3.967 517 HE ARG 58 HE ARG 58 5.320 -18.897 4.530 518 HH11 ARG 58 1HH1 ARG 58 8.583 -17.539 4.423 519 HH12 ARG 58 2HH1 ARG 58 9.328 -19.104 4.247 520 HH21 ARG 58 1HH2 ARG 58 6.350 -20.858 4.313 521 HH22 ARG 58 2HH2 ARG 58 8.086 -20.943 4.196 522 H VAL 59 H VAL 59 5.713 -12.121 7.620 523 HA VAL 59 HA VAL 59 7.516 -10.460 6.098 524 HB VAL 59 HB VAL 59 5.431 -9.679 8.191 525 HG11 VAL 59 1HG1 VAL 59 5.413 -7.497 7.040 526 HG12 VAL 59 2HG1 VAL 59 6.972 -7.854 7.797 527 HG13 VAL 59 3HG1 VAL 59 6.788 -8.031 6.041 528 HG21 VAL 59 3HG2 VAL 59 5.256 -9.983 5.184 529 HG22 VAL 59 1HG2 VAL 59 4.423 -10.959 6.416 530 HG23 VAL 59 2HG2 VAL 59 4.002 -9.252 6.207 531 H GLY 60 H GLY 60 7.091 -11.221 9.544 532 HA2 GLY 60 1HA GLY 60 9.056 -9.265 10.370 533 HA3 GLY 60 2HA GLY 60 8.328 -10.545 11.363 534 H ASP 61 H ASP 61 9.031 -12.718 9.598 535 HA ASP 61 HA ASP 61 11.691 -13.320 10.437 536 HB2 ASP 61 1HB ASP 61 10.128 -14.422 8.058 537 HB3 ASP 61 2HB ASP 61 11.571 -15.156 8.764 538 H CYS 62 H CYS 62 10.296 -11.929 7.475 539 HA CYS 62 HA CYS 62 12.695 -11.774 5.946 540 HB2 CYS 62 1HB CYS 62 10.131 -11.352 5.387 541 HB3 CYS 62 2HB CYS 62 10.552 -9.679 5.738 542 HG CYS 62 HG CYS 62 10.594 -9.794 3.228 543 H PHE 63 H PHE 63 11.102 -9.329 8.085 544 HA PHE 63 HA PHE 63 13.078 -7.310 7.686 545 HB2 PHE 63 1HB PHE 63 11.504 -7.923 10.214 546 HB3 PHE 63 2HB PHE 63 12.401 -6.440 9.910 547 HD1 PHE 63 HD1 PHE 63 11.479 -6.267 6.855 548 HD2 PHE 63 HD2 PHE 63 9.413 -6.761 10.603 549 HE1 PHE 63 HE1 PHE 63 9.462 -5.190 5.883 550 HE2 PHE 63 HE2 PHE 63 7.396 -5.675 9.632 551 HZ PHE 63 HZ PHE 63 7.419 -4.885 7.271 552 H GLN 64 H GLN 64 12.991 -10.138 9.878 553 HA GLN 64 HA GLN 64 15.275 -9.322 11.422 554 HB2 GLN 64 1HB GLN 64 13.570 -11.025 12.091 555 HB3 GLN 64 2HB GLN 64 14.240 -12.127 10.885 556 HG2 GLN 64 1HG GLN 64 16.381 -12.154 12.051 557 HG3 GLN 64 2HG GLN 64 15.780 -10.973 13.227 558 HE21 GLN 64 2HE2 GLN 64 15.962 -14.283 12.349 559 HE22 GLN 64 1HE2 GLN 64 14.994 -14.907 13.663 560 H ASP 65 H ASP 65 14.900 -11.407 8.538 561 HA ASP 65 HA ASP 65 17.636 -12.184 8.300 562 HB2 ASP 65 1HB ASP 65 15.645 -13.088 7.080 563 HB3 ASP 65 2HB ASP 65 15.612 -11.632 6.093 564 H TYR 66 H TYR 66 15.795 -9.512 6.818 565 HA TYR 66 HA TYR 66 17.981 -8.350 5.435 566 HB2 TYR 66 1HB TYR 66 15.317 -7.960 5.503 567 HB3 TYR 66 2HB TYR 66 15.809 -6.592 6.495 568 HD1 TYR 66 HD2 TYR 66 17.909 -5.212 5.392 569 HD2 TYR 66 HD1 TYR 66 15.124 -7.666 3.215 570 HE1 TYR 66 HE2 TYR 66 18.486 -4.025 3.292 571 HE2 TYR 66 HE1 TYR 66 15.681 -6.431 1.122 572 HH TYR 66 HH TYR 66 17.039 -4.857 0.153 573 H PHE 67 H PHE 67 16.819 -7.977 8.774 574 HA PHE 67 HA PHE 67 18.441 -5.657 9.394 575 HB2 PHE 67 1HB PHE 67 16.490 -6.364 10.726 576 HB3 PHE 67 2HB PHE 67 17.341 -7.834 11.209 577 HD1 PHE 67 HD2 PHE 67 19.277 -7.716 12.773 578 HD2 PHE 67 HD1 PHE 67 16.956 -4.238 11.761 579 HE1 PHE 67 HE2 PHE 67 20.234 -6.513 14.728 580 HE2 PHE 67 HE1 PHE 67 17.887 -3.036 13.719 581 HZ PHE 67 HZ PHE 67 19.538 -4.168 15.211 582 H ASN 68 H ASN 68 19.011 -9.194 9.683 583 HA ASN 68 HA ASN 68 21.552 -8.832 11.043 584 HB2 ASN 68 1HB ASN 68 20.198 -11.127 9.612 585 HB3 ASN 68 2HB ASN 68 21.894 -11.249 10.105 586 HD21 ASN 68 2HD2 ASN 68 18.631 -11.389 11.123 587 HD22 ASN 68 1HD2 ASN 68 18.966 -11.695 12.815 588 H THR 69 H THR 69 20.524 -9.037 7.663 589 HA THR 69 HA THR 69 23.219 -9.334 6.660 590 HB THR 69 HB THR 69 20.716 -8.439 5.158 591 HG1 THR 69 HG1 THR 69 20.187 -10.390 6.008 592 HG21 THR 69 1HG2 THR 69 23.269 -9.846 4.268 593 HG22 THR 69 2HG2 THR 69 22.798 -8.178 3.858 594 HG23 THR 69 3HG2 THR 69 21.847 -9.550 3.246 595 H PHE 70 H PHE 70 21.030 -6.504 7.062 596 HA PHE 70 HA PHE 70 23.269 -4.813 6.007 597 HB2 PHE 70 1HB PHE 70 20.278 -4.426 5.838 598 HB3 PHE 70 2HB PHE 70 21.476 -3.218 5.363 599 HD1 PHE 70 HD1 PHE 70 22.890 -3.494 3.406 600 HD2 PHE 70 HD2 PHE 70 19.950 -6.448 4.460 601 HE1 PHE 70 HE1 PHE 70 23.079 -4.487 1.129 602 HE2 PHE 70 HE2 PHE 70 20.119 -7.443 2.187 603 HZ PHE 70 HZ PHE 70 21.686 -6.464 0.512 604 H GLY 71 H GLY 71 21.921 -5.484 8.962 605 HA2 GLY 71 1HA GLY 71 22.473 -4.446 10.924 606 HA3 GLY 71 2HA GLY 71 23.202 -3.123 10.023 607 HA PRO 72 HA PRO 72 19.220 -1.877 12.237 608 HB2 PRO 72 1HB PRO 72 20.291 -0.227 14.133 609 HB3 PRO 72 2HB PRO 72 20.153 -1.999 14.360 610 HG2 PRO 72 1HG PRO 72 22.515 -0.411 13.392 611 HG3 PRO 72 2HG PRO 72 22.433 -1.612 14.723 612 HD2 PRO 72 1HD PRO 72 23.289 -2.326 12.287 613 HD3 PRO 72 2HD PRO 72 22.214 -3.418 13.229 614 H GLU 73 H GLU 73 21.945 -0.169 10.823 615 HA GLU 73 HA GLU 73 20.574 2.416 10.786 616 HB2 GLU 73 1HB GLU 73 22.373 3.109 9.283 617 HB3 GLU 73 2HB GLU 73 23.004 2.337 10.735 618 HG2 GLU 73 1HG GLU 73 22.650 0.601 8.318 619 HG3 GLU 73 2HG GLU 73 23.938 1.811 8.284 620 H LYS 74 H LYS 74 20.406 -0.510 8.949 621 HA LYS 74 HA LYS 74 19.111 0.938 6.690 622 HB2 LYS 74 1HB LYS 74 20.922 -0.945 6.501 623 HB3 LYS 74 2HB LYS 74 19.558 -2.037 6.743 624 HG2 LYS 74 1HG LYS 74 19.629 0.111 4.575 625 HG3 LYS 74 2HG LYS 74 20.233 -1.533 4.324 626 HD2 LYS 74 1HD LYS 74 17.986 -2.424 4.901 627 HD3 LYS 74 2HD LYS 74 17.385 -0.768 5.030 628 HE2 LYS 74 1HE LYS 74 17.954 -0.334 2.688 629 HE3 LYS 74 2HE LYS 74 18.585 -1.990 2.531 630 HZ1 LYS 74 3HZ LYS 74 16.296 -1.840 1.739 631 HZ2 LYS 74 1HZ LYS 74 15.776 -1.292 3.207 632 HZ3 LYS 74 2HZ LYS 74 16.371 -2.823 3.058 633 H VAL 75 H VAL 75 18.455 -1.714 9.071 634 HA VAL 75 HA VAL 75 15.539 -1.168 8.521 635 HB VAL 75 HB VAL 75 16.879 -3.664 9.683 636 HG11 VAL 75 1HG1 VAL 75 13.938 -3.122 9.063 637 HG12 VAL 75 2HG1 VAL 75 14.614 -4.700 9.530 638 HG13 VAL 75 3HG1 VAL 75 14.656 -3.348 10.676 639 HG21 VAL 75 3HG2 VAL 75 15.588 -3.189 6.970 640 HG22 VAL 75 1HG2 VAL 75 17.300 -3.553 7.304 641 HG23 VAL 75 2HG2 VAL 75 16.062 -4.779 7.608 642 HA PRO 76 HA PRO 76 16.143 0.274 12.652 643 HB2 PRO 76 1HB PRO 76 13.728 1.317 13.264 644 HB3 PRO 76 2HB PRO 76 14.787 2.071 12.045 645 HG2 PRO 76 1HG PRO 76 12.438 0.270 11.641 646 HG3 PRO 76 2HG PRO 76 12.842 1.797 10.808 647 HD2 PRO 76 1HD PRO 76 13.390 -0.711 9.782 648 HD3 PRO 76 2HD PRO 76 14.355 0.756 9.392 649 H VAL 77 H VAL 77 15.735 -0.410 14.809 650 HA VAL 77 HA VAL 77 14.560 -3.002 15.115 651 HB VAL 77 HB VAL 77 14.832 -2.619 17.559 652 HG11 VAL 77 1HG1 VAL 77 17.278 -2.460 17.545 653 HG12 VAL 77 2HG1 VAL 77 16.723 -3.425 16.162 654 HG13 VAL 77 3HG1 VAL 77 17.254 -1.744 15.918 655 HG21 VAL 77 3HG2 VAL 77 14.302 -0.193 17.645 656 HG22 VAL 77 1HG2 VAL 77 15.873 -0.540 18.385 657 HG23 VAL 77 2HG2 VAL 77 15.806 0.169 16.760 658 H THR 78 H THR 78 13.181 0.204 15.126 659 HA THR 78 HA THR 78 10.834 -0.538 16.646 660 HB THR 78 HB THR 78 11.684 1.855 16.196 661 HG1 THR 78 HG1 THR 78 9.601 2.601 16.497 662 HG21 THR 78 1HG2 THR 78 9.877 1.637 13.807 663 HG22 THR 78 2HG2 THR 78 11.648 1.627 13.685 664 HG23 THR 78 3HG2 THR 78 10.814 3.046 14.342 665 H ALA 79 H ALA 79 11.859 -1.171 13.377 666 HA ALA 79 HA ALA 79 9.244 -1.286 12.196 667 HB1 ALA 79 3HB ALA 79 11.257 -1.334 10.829 668 HB2 ALA 79 1HB ALA 79 11.778 -2.856 11.584 669 HB3 ALA 79 2HB ALA 79 10.324 -2.820 10.557 670 H PHE 80 H PHE 80 11.160 -3.560 14.152 671 HA PHE 80 HA PHE 80 9.304 -5.754 13.869 672 HB2 PHE 80 1HB PHE 80 11.329 -5.154 16.054 673 HB3 PHE 80 2HB PHE 80 10.529 -6.707 15.779 674 HD1 PHE 80 HD1 PHE 80 11.113 -8.103 13.841 675 HD2 PHE 80 HD2 PHE 80 13.146 -4.402 14.633 676 HE1 PHE 80 HE1 PHE 80 12.909 -8.758 12.273 677 HE2 PHE 80 HE2 PHE 80 14.946 -5.031 13.048 678 HZ PHE 80 HZ PHE 80 14.830 -7.220 11.858 679 H SER 81 H SER 81 9.569 -2.978 16.004 680 HA SER 81 HA SER 81 7.759 -3.973 18.038 681 HB2 SER 81 1HB SER 81 9.408 -2.148 18.447 682 HB3 SER 81 2HB SER 81 8.500 -1.100 17.337 683 HG SER 81 HG SER 81 7.936 -0.792 19.552 684 H TYR 82 H TYR 82 7.485 -1.764 15.246 685 HA TYR 82 HA TYR 82 4.662 -1.339 15.438 686 HB2 TYR 82 1HB TYR 82 6.799 -1.058 13.359 687 HB3 TYR 82 2HB TYR 82 5.126 -1.142 12.792 688 HD1 TYR 82 HD1 TYR 82 7.556 0.898 14.761 689 HD2 TYR 82 HD2 TYR 82 3.508 0.555 13.311 690 HE1 TYR 82 HE1 TYR 82 7.162 3.298 15.287 691 HE2 TYR 82 HE2 TYR 82 3.134 2.988 13.823 692 HH TYR 82 HH TYR 82 5.683 5.048 15.229 693 H TRP 83 H TRP 83 6.655 -3.759 13.713 694 HA TRP 83 HA TRP 83 4.553 -5.036 12.355 695 HB2 TRP 83 1HB TRP 83 6.903 -5.479 11.881 696 HB3 TRP 83 2HB TRP 83 7.164 -6.057 13.513 697 HD1 TRP 83 HD1 TRP 83 5.514 -7.220 10.247 698 HE1 TRP 83 HE1 TRP 83 5.204 -9.748 10.298 699 HE3 TRP 83 HE3 TRP 83 7.011 -8.002 15.071 700 HZ2 TRP 83 HZ2 TRP 83 5.613 -11.832 12.184 701 HZ3 TRP 83 HZ3 TRP 83 7.052 -10.339 15.951 702 HH2 TRP 83 HH2 TRP 83 6.356 -12.244 14.497 703 H ASN 84 H ASN 84 5.724 -5.453 15.683 704 HA ASN 84 HA ASN 84 4.270 -7.851 16.269 705 HB2 ASN 84 1HB ASN 84 5.705 -5.761 17.827 706 HB3 ASN 84 2HB ASN 84 4.449 -6.649 18.699 707 HD21 ASN 84 2HD2 ASN 84 7.630 -6.731 17.458 708 HD22 ASN 84 1HD2 ASN 84 7.999 -8.373 17.938 709 H LEU 85 H LEU 85 3.414 -4.417 16.393 710 HA LEU 85 HA LEU 85 0.994 -4.689 17.887 711 HB2 LEU 85 1HB LEU 85 2.191 -2.569 17.446 712 HB3 LEU 85 2HB LEU 85 1.767 -2.672 15.748 713 HG LEU 85 HG LEU 85 -0.510 -2.685 17.659 714 HD11 LEU 85 1HD1 LEU 85 -0.401 -0.228 17.910 715 HD12 LEU 85 2HD1 LEU 85 1.183 -0.215 17.095 716 HD13 LEU 85 3HD1 LEU 85 0.992 -1.026 18.670 717 HD21 LEU 85 3HD2 LEU 85 -0.878 -2.704 15.210 718 HD22 LEU 85 1HD2 LEU 85 0.064 -1.203 15.046 719 HD23 LEU 85 2HD2 LEU 85 -1.486 -1.202 15.926 720 H ILE 86 H ILE 86 1.663 -4.860 14.350 721 HA ILE 86 HA ILE 86 -1.166 -5.315 13.796 722 HB ILE 86 HB ILE 86 1.281 -5.727 12.010 723 HG12 ILE 86 1HG1 ILE 86 -0.083 -3.774 10.808 724 HG13 ILE 86 2HG1 ILE 86 -0.708 -3.486 12.430 725 HG21 ILE 86 1HG2 ILE 86 -0.468 -5.799 10.177 726 HG22 ILE 86 2HG2 ILE 86 -0.473 -7.202 11.254 727 HG23 ILE 86 3HG2 ILE 86 -1.712 -5.944 11.458 728 HD11 ILE 86 3HD1 ILE 86 1.321 -2.120 11.651 729 HD12 ILE 86 1HD1 ILE 86 1.427 -2.881 13.250 730 HD13 ILE 86 2HD1 ILE 86 2.270 -3.609 11.862 731 H LYS 87 H LYS 87 1.674 -7.315 14.516 732 HA LYS 87 HA LYS 87 0.604 -9.785 13.606 733 HB2 LYS 87 1HB LYS 87 2.709 -10.293 14.166 734 HB3 LYS 87 2HB LYS 87 2.837 -8.890 15.210 735 HG2 LYS 87 1HG LYS 87 1.790 -10.177 17.062 736 HG3 LYS 87 2HG LYS 87 1.753 -11.610 16.017 737 HD2 LYS 87 1HD LYS 87 4.169 -11.607 15.884 738 HD3 LYS 87 2HD LYS 87 4.240 -10.043 16.713 739 HE2 LYS 87 1HE LYS 87 3.107 -11.118 18.695 740 HE3 LYS 87 2HE LYS 87 3.319 -12.689 17.889 741 HZ1 LYS 87 3HZ LYS 87 5.495 -10.806 18.628 742 HZ2 LYS 87 1HZ LYS 87 5.715 -12.271 17.894 743 HZ3 LYS 87 2HZ LYS 87 5.125 -12.201 19.435 744 H GLU 88 H GLU 88 0.220 -8.176 16.831 745 HA GLU 88 HA GLU 88 -1.379 -10.389 17.797 746 HB2 GLU 88 1HB GLU 88 -2.002 -8.882 19.638 747 HB3 GLU 88 2HB GLU 88 -0.256 -8.936 19.369 748 HG2 GLU 88 1HG GLU 88 -0.331 -6.794 18.222 749 HG3 GLU 88 2HG GLU 88 -2.090 -6.733 18.396 750 H LEU 89 H LEU 89 -2.093 -7.426 15.993 751 HA LEU 89 HA LEU 89 -4.908 -7.495 16.389 752 HB2 LEU 89 1HB LEU 89 -3.158 -6.303 14.267 753 HB3 LEU 89 2HB LEU 89 -4.906 -6.242 14.148 754 HG LEU 89 HG LEU 89 -3.333 -5.101 16.477 755 HD11 LEU 89 1HD1 LEU 89 -4.542 -3.688 14.065 756 HD12 LEU 89 2HD1 LEU 89 -2.807 -3.929 14.373 757 HD13 LEU 89 3HD1 LEU 89 -3.764 -2.905 15.459 758 HD21 LEU 89 3HD2 LEU 89 -6.249 -4.773 15.656 759 HD22 LEU 89 1HD2 LEU 89 -5.440 -3.867 16.954 760 HD23 LEU 89 2HD2 LEU 89 -5.645 -5.620 17.098 761 H ILE 90 H ILE 90 -2.854 -9.024 13.882 762 HA ILE 90 HA ILE 90 -5.237 -10.104 12.566 763 HB ILE 90 HB ILE 90 -2.350 -11.015 12.200 764 HG12 ILE 90 1HG1 ILE 90 -3.881 -9.066 10.439 765 HG13 ILE 90 2HG1 ILE 90 -2.806 -8.525 11.728 766 HG21 ILE 90 1HG2 ILE 90 -4.827 -11.253 10.397 767 HG22 ILE 90 2HG2 ILE 90 -3.201 -11.840 10.001 768 HG23 ILE 90 3HG2 ILE 90 -4.110 -12.589 11.323 769 HD11 ILE 90 3HD1 ILE 90 -0.943 -9.811 10.675 770 HD12 ILE 90 1HD1 ILE 90 -2.019 -10.167 9.302 771 HD13 ILE 90 2HD1 ILE 90 -1.574 -8.492 9.673 772 H ASP 91 H ASP 91 -2.743 -11.321 14.848 773 HA ASP 91 HA ASP 91 -3.489 -14.070 14.703 774 HB2 ASP 91 1HB ASP 91 -1.433 -13.065 15.815 775 HB3 ASP 91 2HB ASP 91 -2.471 -12.614 17.174 776 H LYS 92 H LYS 92 -4.806 -11.327 16.527 777 HA LYS 92 HA LYS 92 -6.923 -13.172 17.558 778 HB2 LYS 92 1HB LYS 92 -5.972 -10.524 18.690 779 HB3 LYS 92 2HB LYS 92 -7.213 -11.558 19.396 780 HG2 LYS 92 1HG LYS 92 -4.516 -12.815 18.951 781 HG3 LYS 92 2HG LYS 92 -4.620 -11.566 20.186 782 HD2 LYS 92 1HD LYS 92 -4.925 -13.722 21.228 783 HD3 LYS 92 2HD LYS 92 -6.440 -12.818 21.314 784 HE2 LYS 92 1HE LYS 92 -6.876 -15.161 20.787 785 HE3 LYS 92 2HE LYS 92 -7.356 -14.134 19.441 786 HZ1 LYS 92 3HZ LYS 92 -4.872 -15.753 19.541 787 HZ2 LYS 92 1HZ LYS 92 -5.322 -14.791 18.282 788 HZ3 LYS 92 2HZ LYS 92 -6.240 -16.104 18.673 789 H LYS 93 H LYS 93 -6.923 -11.946 14.882 790 HA LYS 93 HA LYS 93 -8.775 -9.733 14.899 791 HB2 LYS 93 1HB LYS 93 -9.105 -10.142 12.558 792 HB3 LYS 93 2HB LYS 93 -7.396 -10.323 12.939 793 HG2 LYS 93 1HG LYS 93 -7.731 -12.822 12.955 794 HG3 LYS 93 2HG LYS 93 -9.385 -12.553 12.381 795 HD2 LYS 93 1HD LYS 93 -8.551 -11.443 10.373 796 HD3 LYS 93 2HD LYS 93 -6.889 -11.534 10.972 797 HE2 LYS 93 1HE LYS 93 -6.920 -13.970 10.862 798 HE3 LYS 93 2HE LYS 93 -8.628 -13.953 10.397 799 HZ1 LYS 93 3HZ LYS 93 -7.138 -14.259 8.492 800 HZ2 LYS 93 1HZ LYS 93 -6.446 -12.788 8.751 801 HZ3 LYS 93 2HZ LYS 93 -8.035 -12.886 8.328 802 H GLU 94 H GLU 94 -9.077 -13.104 15.415 803 HA GLU 94 HA GLU 94 -11.799 -13.539 14.762 804 HB2 GLU 94 1HB GLU 94 -11.545 -15.517 16.222 805 HB3 GLU 94 2HB GLU 94 -10.198 -15.310 15.096 806 HG2 GLU 94 1HG GLU 94 -8.896 -14.217 16.993 807 HG3 GLU 94 2HG GLU 94 -10.192 -14.727 18.077 808 H VAL 95 H VAL 95 -10.398 -11.844 17.505 809 HA VAL 95 HA VAL 95 -13.161 -11.651 18.658 810 HB VAL 95 HB VAL 95 -12.079 -11.181 20.868 811 HG11 VAL 95 1HG1 VAL 95 -11.311 -13.881 19.686 812 HG12 VAL 95 2HG1 VAL 95 -11.544 -13.501 21.406 813 HG13 VAL 95 3HG1 VAL 95 -12.922 -13.442 20.287 814 HG21 VAL 95 3HG2 VAL 95 -9.846 -10.460 20.003 815 HG22 VAL 95 1HG2 VAL 95 -9.724 -11.723 21.242 816 HG23 VAL 95 2HG2 VAL 95 -9.508 -12.143 19.529 817 H ASN 96 H ASN 96 -11.245 -10.091 16.675 818 HA ASN 96 HA ASN 96 -11.918 -7.409 17.834 819 HB2 ASN 96 1HB ASN 96 -9.362 -8.364 16.563 820 HB3 ASN 96 2HB ASN 96 -9.868 -6.680 16.383 821 HD21 ASN 96 2HD2 ASN 96 -8.431 -8.979 18.445 822 HD22 ASN 96 1HD2 ASN 96 -8.238 -7.909 19.820 823 HA PRO 97 HA PRO 97 -13.854 -8.130 13.739 824 HB2 PRO 97 1HB PRO 97 -16.157 -6.701 14.147 825 HB3 PRO 97 2HB PRO 97 -15.947 -8.397 14.691 826 HG2 PRO 97 1HG PRO 97 -15.563 -5.859 16.270 827 HG3 PRO 97 2HG PRO 97 -16.544 -7.306 16.680 828 HD2 PRO 97 1HD PRO 97 -14.069 -7.006 17.672 829 HD3 PRO 97 2HD PRO 97 -14.632 -8.619 17.106 830 H GLN 98 H GLN 98 -13.083 -5.242 15.543 831 HA GLN 98 HA GLN 98 -13.632 -3.288 13.550 832 HB2 GLN 98 1HB GLN 98 -11.823 -1.969 14.784 833 HB3 GLN 98 2HB GLN 98 -13.227 -2.462 15.731 834 HG2 GLN 98 1HG GLN 98 -11.901 -4.330 16.727 835 HG3 GLN 98 2HG GLN 98 -10.489 -3.803 15.798 836 HE21 GLN 98 2HE2 GLN 98 -11.087 -3.973 18.758 837 HE22 GLN 98 1HE2 GLN 98 -10.676 -2.378 19.350 838 H VAL 99 H VAL 99 -10.713 -5.233 14.324 839 HA VAL 99 HA VAL 99 -9.435 -4.088 11.991 840 HB VAL 99 HB VAL 99 -8.220 -4.610 14.180 841 HG11 VAL 99 1HG1 VAL 99 -7.983 -7.389 12.966 842 HG12 VAL 99 2HG1 VAL 99 -7.309 -6.803 14.501 843 HG13 VAL 99 3HG1 VAL 99 -9.058 -6.991 14.320 844 HG21 VAL 99 3HG2 VAL 99 -7.002 -5.604 11.569 845 HG22 VAL 99 1HG2 VAL 99 -7.145 -3.898 12.055 846 HG23 VAL 99 2HG2 VAL 99 -6.128 -5.002 12.991 847 H MET 100 H MET 100 -11.144 -7.076 12.802 848 HA MET 100 HA MET 100 -10.168 -8.670 10.675 849 HB2 MET 100 1HB MET 100 -11.544 -9.587 12.430 850 HB3 MET 100 2HB MET 100 -12.898 -8.553 11.981 851 HG2 MET 100 1HG MET 100 -13.211 -10.886 11.259 852 HG3 MET 100 2HG MET 100 -13.225 -9.738 9.914 853 HE1 MET 100 3HE MET 100 -12.189 -10.142 7.829 854 HE2 MET 100 1HE MET 100 -11.220 -11.593 7.465 855 HE3 MET 100 2HE MET 100 -12.872 -11.763 8.106 856 H ALA 101 H ALA 101 -12.821 -6.234 10.688 857 HA ALA 101 HA ALA 101 -13.545 -6.714 7.958 858 HB1 ALA 101 3HB ALA 101 -14.577 -4.452 8.095 859 HB2 ALA 101 1HB ALA 101 -14.972 -5.438 9.522 860 HB3 ALA 101 2HB ALA 101 -13.735 -4.165 9.636 861 H ALA 102 H ALA 102 -10.942 -4.844 9.468 862 HA ALA 102 HA ALA 102 -10.271 -3.350 7.085 863 HB1 ALA 102 3HB ALA 102 -9.787 -2.752 9.575 864 HB2 ALA 102 1HB ALA 102 -8.423 -3.884 9.444 865 HB3 ALA 102 2HB ALA 102 -8.503 -2.454 8.395 866 H VAL 103 H VAL 103 -9.352 -6.444 8.550 867 HA VAL 103 HA VAL 103 -7.030 -6.964 6.932 868 HB VAL 103 HB VAL 103 -9.057 -8.865 8.228 869 HG11 VAL 103 1HG1 VAL 103 -7.233 -10.581 8.016 870 HG12 VAL 103 2HG1 VAL 103 -7.979 -10.106 6.480 871 HG13 VAL 103 3HG1 VAL 103 -6.392 -9.460 6.933 872 HG21 VAL 103 3HG2 VAL 103 -7.459 -9.093 10.026 873 HG22 VAL 103 1HG2 VAL 103 -6.233 -8.156 9.135 874 HG23 VAL 103 2HG2 VAL 103 -7.691 -7.364 9.752 875 H ALA 104 H ALA 104 -10.506 -7.727 6.575 876 HA ALA 104 HA ALA 104 -10.225 -9.092 4.079 877 HB1 ALA 104 3HB ALA 104 -12.665 -8.739 3.891 878 HB2 ALA 104 1HB ALA 104 -12.218 -9.273 5.532 879 HB3 ALA 104 2HB ALA 104 -12.605 -7.563 5.225 880 H GLN 105 H GLN 105 -10.986 -5.683 4.902 881 HA GLN 105 HA GLN 105 -11.272 -4.743 2.241 882 HB2 GLN 105 1HB GLN 105 -10.375 -3.469 4.835 883 HB3 GLN 105 2HB GLN 105 -10.463 -2.535 3.330 884 HG2 GLN 105 1HG GLN 105 -12.829 -2.916 3.137 885 HG3 GLN 105 2HG GLN 105 -12.814 -4.063 4.480 886 HE21 GLN 105 2HE2 GLN 105 -14.441 -1.724 4.283 887 HE22 GLN 105 1HE2 GLN 105 -13.978 -0.657 5.593 888 H THR 106 H THR 106 -8.309 -5.189 4.240 889 HA THR 106 HA THR 106 -6.648 -3.832 2.321 890 HB THR 106 HB THR 106 -5.764 -5.966 4.302 891 HG1 THR 106 HG1 THR 106 -6.917 -4.273 5.329 892 HG21 THR 106 1HG2 THR 106 -4.037 -5.317 2.668 893 HG22 THR 106 2HG2 THR 106 -3.662 -4.645 4.267 894 HG23 THR 106 3HG2 THR 106 -4.351 -3.601 3.009 895 H GLU 107 H GLU 107 -7.611 -7.288 2.764 896 HA GLU 107 HA GLU 107 -5.917 -8.271 0.660 897 HB2 GLU 107 1HB GLU 107 -8.522 -9.257 1.847 898 HB3 GLU 107 2HB GLU 107 -7.794 -10.020 0.436 899 HG2 GLU 107 1HG GLU 107 -5.673 -10.279 1.805 900 HG3 GLU 107 2HG GLU 107 -6.637 -9.816 3.216 901 H GLU 108 H GLU 108 -9.240 -6.919 0.640 902 HA GLU 108 HA GLU 108 -9.803 -7.440 -2.112 903 HB2 GLU 108 1HB GLU 108 -10.660 -5.198 -0.256 904 HB3 GLU 108 2HB GLU 108 -11.342 -5.428 -1.866 905 HG2 GLU 108 1HG GLU 108 -12.429 -7.425 -1.257 906 HG3 GLU 108 2HG GLU 108 -11.422 -7.648 0.176 907 H ILE 109 H ILE 109 -8.302 -4.632 -0.486 908 HA ILE 109 HA ILE 109 -7.961 -3.119 -2.908 909 HB ILE 109 HB ILE 109 -6.581 -2.933 -0.190 910 HG12 ILE 109 1HG1 ILE 109 -8.654 -1.074 -1.402 911 HG13 ILE 109 2HG1 ILE 109 -9.139 -2.516 -0.528 912 HG21 ILE 109 1HG2 ILE 109 -5.926 -0.597 -0.940 913 HG22 ILE 109 2HG2 ILE 109 -5.104 -1.876 -1.846 914 HG23 ILE 109 3HG2 ILE 109 -6.472 -1.016 -2.584 915 HD11 ILE 109 3HD1 ILE 109 -7.602 -0.161 0.602 916 HD12 ILE 109 1HD1 ILE 109 -9.255 -0.677 0.997 917 HD13 ILE 109 2HD1 ILE 109 -7.874 -1.689 1.476 918 H LEU 110 H LEU 110 -5.832 -5.441 -1.173 919 HA LEU 110 HA LEU 110 -3.520 -5.003 -2.797 920 HB2 LEU 110 1HB LEU 110 -4.557 -7.150 -1.018 921 HB3 LEU 110 2HB LEU 110 -3.443 -7.689 -2.258 922 HG LEU 110 HG LEU 110 -1.677 -6.367 -1.435 923 HD11 LEU 110 1HD1 LEU 110 -1.881 -4.935 0.599 924 HD12 LEU 110 2HD1 LEU 110 -3.638 -5.050 0.449 925 HD13 LEU 110 3HD1 LEU 110 -2.688 -4.277 -0.831 926 HD21 LEU 110 3HD2 LEU 110 -2.128 -8.472 -0.263 927 HD22 LEU 110 1HD2 LEU 110 -3.197 -7.626 0.874 928 HD23 LEU 110 2HD2 LEU 110 -1.453 -7.275 0.860 929 H LYS 111 H LYS 111 -6.357 -7.105 -3.249 930 HA LYS 111 HA LYS 111 -5.298 -8.379 -5.623 931 HB2 LYS 111 1HB LYS 111 -8.038 -8.218 -4.423 932 HB3 LYS 111 2HB LYS 111 -7.648 -9.182 -5.862 933 HG2 LYS 111 1HG LYS 111 -6.206 -10.622 -4.657 934 HG3 LYS 111 2HG LYS 111 -6.062 -9.483 -3.307 935 HD2 LYS 111 1HD LYS 111 -8.508 -9.762 -2.945 936 HD3 LYS 111 2HD LYS 111 -8.435 -11.137 -4.065 937 HE2 LYS 111 1HE LYS 111 -6.783 -12.246 -2.625 938 HE3 LYS 111 2HE LYS 111 -6.681 -10.809 -1.599 939 HZ1 LYS 111 3HZ LYS 111 -9.062 -11.199 -1.055 940 HZ2 LYS 111 1HZ LYS 111 -8.026 -12.336 -0.471 941 HZ3 LYS 111 2HZ LYS 111 -8.959 -12.666 -1.800 942 H SER 112 H SER 112 -7.086 -5.451 -4.990 943 HA SER 112 HA SER 112 -7.943 -5.081 -7.769 944 HB2 SER 112 1HB SER 112 -9.207 -4.260 -5.760 945 HB3 SER 112 2HB SER 112 -7.894 -3.111 -5.454 946 HG SER 112 HG SER 112 -8.301 -2.455 -7.744 947 H ASN 113 H ASN 113 -5.155 -4.367 -5.871 948 HA ASN 113 HA ASN 113 -4.334 -2.144 -7.681 949 HB2 ASN 113 1HB ASN 113 -3.478 -2.973 -4.882 950 HB3 ASN 113 2HB ASN 113 -2.600 -1.763 -5.818 951 HD21 ASN 113 2HD2 ASN 113 -3.106 -0.424 -3.955 952 HD22 ASN 113 1HD2 ASN 113 -4.631 0.437 -3.981 953 H SER 114 H SER 114 -1.539 -2.314 -7.111 954 HA SER 114 HA SER 114 -0.725 -4.904 -8.325 955 HB2 SER 114 1HB SER 114 -1.109 -3.370 -10.206 956 HB3 SER 114 2HB SER 114 -0.133 -2.118 -9.414 957 HG SER 114 HG SER 114 1.190 -3.103 -10.863 958 H GLN 115 H GLN 115 1.624 -5.204 -8.257 959 HA GLN 115 HA GLN 115 2.826 -4.467 -5.747 960 HB2 GLN 115 1HB GLN 115 4.058 -5.431 -8.361 961 HB3 GLN 115 2HB GLN 115 4.934 -5.295 -6.835 962 HG2 GLN 115 1HG GLN 115 3.502 -7.000 -5.827 963 HG3 GLN 115 2HG GLN 115 2.560 -7.117 -7.325 964 HE21 GLN 115 2HE2 GLN 115 5.006 -8.525 -5.592 965 HE22 GLN 115 1HE2 GLN 115 5.844 -9.322 -6.908 966 H THR 116 H THR 116 2.933 -3.165 -9.056 967 HA THR 116 HA THR 116 4.125 -0.669 -8.018 968 HB THR 116 HB THR 116 5.267 -2.242 -10.384 969 HG1 THR 116 HG1 THR 116 5.750 -2.476 -7.826 970 HG21 THR 116 1HG2 THR 116 5.415 0.151 -10.791 971 HG22 THR 116 2HG2 THR 116 7.017 -0.476 -10.352 972 HG23 THR 116 3HG2 THR 116 6.060 0.420 -9.151 973 H ASP 117 H ASP 117 3.263 1.064 -8.981 974 HA ASP 117 HA ASP 117 2.050 0.972 -11.647 975 HB2 ASP 117 1HB ASP 117 0.161 0.287 -10.108 976 HB3 ASP 117 2HB ASP 117 0.450 1.760 -9.166 977 H LEU 118 H LEU 118 1.565 3.329 -12.166 978 HA LEU 118 HA LEU 118 2.246 5.434 -12.417 979 HB2 LEU 118 1HB LEU 118 2.658 5.548 -9.442 980 HB3 LEU 118 2HB LEU 118 2.245 6.828 -10.557 981 HG LEU 118 HG LEU 118 0.397 4.573 -9.784 982 HD11 LEU 118 1HD1 LEU 118 0.876 6.107 -7.920 983 HD12 LEU 118 2HD1 LEU 118 -0.791 6.291 -8.494 984 HD13 LEU 118 3HD1 LEU 118 0.437 7.498 -8.942 985 HD21 LEU 118 3HD2 LEU 118 -0.139 5.413 -12.020 986 HD22 LEU 118 1HD2 LEU 118 -0.098 7.095 -11.428 987 HD23 LEU 118 2HD2 LEU 118 -1.353 5.965 -10.860 988 H GLU 119 H GLU 119 3.926 7.151 -12.103 989 HA GLU 119 HA GLU 119 6.509 5.926 -12.546 990 HB2 GLU 119 1HB GLU 119 5.635 8.825 -12.412 991 HB3 GLU 119 2HB GLU 119 7.286 8.295 -12.760 992 HG2 GLU 119 1HG GLU 119 6.124 6.840 -14.608 993 HG3 GLU 119 2HG GLU 119 4.828 8.041 -14.443 994 H HIS 120 H HIS 120 6.534 4.911 -10.331 995 HA HIS 120 HA HIS 120 7.536 6.687 -8.185 996 HB2 HIS 120 1HB HIS 120 7.305 3.670 -8.468 997 HB3 HIS 120 2HB HIS 120 8.084 4.449 -7.084 998 HD1 HIS 120 HD1 HIS 120 4.642 3.951 -8.681 999 HD2 HIS 120 HD2 HIS 120 6.359 5.619 -5.218 1000 HE1 HIS 120 HE1 HIS 120 2.746 4.450 -7.073 1001 H HIS 121 H HIS 121 8.918 7.409 -10.197 1002 HA HIS 121 HA HIS 121 11.228 5.851 -10.934 1003 HB2 HIS 121 1HB HIS 121 9.870 7.926 -12.000 1004 HB3 HIS 121 2HB HIS 121 11.166 8.842 -11.227 1005 HD1 HIS 121 HD1 HIS 121 10.359 7.612 -14.428 1006 HD2 HIS 121 HD2 HIS 121 13.825 7.356 -12.056 1007 HE1 HIS 121 HE1 HIS 121 12.306 7.091 -15.996 1008 H HIS 122 H HIS 122 10.902 6.596 -7.922 1009 HA HIS 122 HA HIS 122 13.696 7.571 -7.583 1010 HB2 HIS 122 1HB HIS 122 12.162 9.503 -7.307 1011 HB3 HIS 122 2HB HIS 122 11.288 8.623 -6.046 1012 HD1 HIS 122 HD1 HIS 122 12.671 8.120 -3.764 1013 HD2 HIS 122 HD2 HIS 122 14.448 10.816 -6.442 1014 HE1 HIS 122 HE1 HIS 122 14.524 9.324 -2.488 1015 H HIS 123 H HIS 123 14.774 6.116 -6.502 1016 HA HIS 123 HA HIS 123 13.599 4.951 -4.020 1017 HB2 HIS 123 1HB HIS 123 15.084 3.417 -6.205 1018 HB3 HIS 123 2HB HIS 123 14.862 2.811 -4.560 1019 HD1 HIS 123 HD1 HIS 123 12.527 1.834 -3.895 1020 HD2 HIS 123 HD2 HIS 123 12.693 3.403 -7.792 1021 HE1 HIS 123 HE1 HIS 123 10.408 1.096 -5.082 1022 H HIS 124 H HIS 124 15.661 4.135 -2.745 1023 HA HIS 124 HA HIS 124 17.566 4.777 -1.623 1024 HB2 HIS 124 1HB HIS 124 18.514 5.967 -4.273 1025 HB3 HIS 124 2HB HIS 124 19.499 5.753 -2.831 1026 HD1 HIS 124 HD1 HIS 124 20.468 4.451 -5.398 1027 HD2 HIS 124 HD2 HIS 124 17.990 2.502 -2.631 1028 HE1 HIS 124 HE1 HIS 124 20.802 1.944 -5.737 1029 H HIS 125 H HIS 125 19.086 7.130 -1.667 1030 HA HIS 125 HA HIS 125 17.293 9.434 -1.838 1031 HB2 HIS 125 1HB HIS 125 17.717 10.229 0.393 1032 HB3 HIS 125 2HB HIS 125 17.033 8.610 0.576 1033 HD1 HIS 125 HD1 HIS 125 18.252 7.264 2.332 1034 HD2 HIS 125 HD2 HIS 125 20.773 10.021 0.427 1035 HE1 HIS 125 HE1 HIS 125 20.549 7.043 3.423 Start of MODEL 2 1 H21 MYR 1 1H2 MYR 1 0.917 -0.163 -1.177 2 H22 MYR 1 2H2 MYR 1 2.244 -0.436 -0.054 3 H31 MYR 1 1H3 MYR 1 -0.483 -1.839 0.178 4 H32 MYR 1 2H3 MYR 1 0.847 -2.534 -0.738 5 H41 MYR 1 1H4 MYR 1 2.127 -3.048 1.177 6 H42 MYR 1 2H4 MYR 1 1.429 -1.754 2.142 7 H51 MYR 1 1H5 MYR 1 -0.753 -3.066 2.149 8 H52 MYR 1 2H5 MYR 1 0.121 -4.409 1.413 9 H61 MYR 1 1H6 MYR 1 1.519 -4.710 3.366 10 H62 MYR 1 2H6 MYR 1 1.068 -3.139 4.041 11 H71 MYR 1 1H7 MYR 1 -1.257 -3.890 4.391 12 H72 MYR 1 2H7 MYR 1 -0.921 -5.440 3.631 13 H81 MYR 1 1H8 MYR 1 0.726 -5.978 5.438 14 H82 MYR 1 2H8 MYR 1 0.405 -4.443 6.232 15 H91 MYR 1 1H9 MYR 1 -0.821 -6.541 7.175 16 H92 MYR 1 2H9 MYR 1 -1.780 -6.550 5.703 17 H101 MYR 1 1H10 MYR 1 -2.380 -4.059 6.300 18 H102 MYR 1 2H10 MYR 1 -1.669 -4.374 7.870 19 H111 MYR 1 1H11 MYR 1 -4.292 -4.610 7.364 20 H112 MYR 1 2H11 MYR 1 -3.867 -6.224 6.833 21 H121 MYR 1 1H12 MYR 1 -2.870 -6.731 9.056 22 H122 MYR 1 2H12 MYR 1 -3.141 -5.081 9.604 23 H131 MYR 1 1H13 MYR 1 -5.434 -6.916 8.724 24 H132 MYR 1 2H13 MYR 1 -4.833 -6.894 10.375 25 H141 MYR 1 1H14 MYR 1 -6.032 -4.466 8.917 26 H142 MYR 1 2H14 MYR 1 -6.826 -5.432 10.166 27 H143 MYR 1 3H14 MYR 1 -5.408 -4.456 10.579 28 H GLY 2 H GLY 2 2.206 0.456 1.923 29 HA2 GLY 2 1HA GLY 2 0.059 1.261 3.491 30 HA3 GLY 2 2HA GLY 2 1.700 1.902 3.631 31 H GLN 3 H GLN 3 1.925 3.274 1.194 32 HA GLN 3 HA GLN 3 0.640 5.724 1.909 33 HB2 GLN 3 1HB GLN 3 1.883 4.854 -0.727 34 HB3 GLN 3 2HB GLN 3 1.428 6.514 -0.315 35 HG2 GLN 3 1HG GLN 3 3.015 6.426 1.616 36 HG3 GLN 3 2HG GLN 3 3.533 4.824 1.078 37 HE21 GLN 3 2HE2 GLN 3 5.383 4.840 -0.023 38 HE22 GLN 3 1HE2 GLN 3 5.915 6.151 -1.061 39 H GLU 4 H GLU 4 -0.310 3.154 -0.355 40 HA GLU 4 HA GLU 4 -2.468 4.730 -1.536 41 HB2 GLU 4 1HB GLU 4 -1.292 2.997 -2.784 42 HB3 GLU 4 2HB GLU 4 -1.803 1.763 -1.624 43 HG2 GLU 4 1HG GLU 4 -4.024 1.826 -2.313 44 HG3 GLU 4 2HG GLU 4 -3.842 3.425 -3.039 45 H LEU 5 H LEU 5 -2.117 2.347 1.047 46 HA LEU 5 HA LEU 5 -4.895 1.816 1.422 47 HB2 LEU 5 1HB LEU 5 -2.497 1.688 3.248 48 HB3 LEU 5 2HB LEU 5 -4.112 1.294 3.821 49 HG LEU 5 HG LEU 5 -2.769 -0.112 1.493 50 HD11 LEU 5 1HD1 LEU 5 -1.508 -0.495 3.536 51 HD12 LEU 5 2HD1 LEU 5 -2.411 -1.955 3.094 52 HD13 LEU 5 3HD1 LEU 5 -3.004 -0.920 4.409 53 HD21 LEU 5 3HD2 LEU 5 -5.208 -0.857 3.160 54 HD22 LEU 5 1HD2 LEU 5 -4.502 -1.812 1.834 55 HD23 LEU 5 2HD2 LEU 5 -5.237 -0.244 1.494 56 H SER 6 H SER 6 -2.782 4.368 2.840 57 HA SER 6 HA SER 6 -4.803 5.531 4.481 58 HB2 SER 6 1HB SER 6 -3.250 7.657 3.727 59 HB3 SER 6 2HB SER 6 -2.852 6.509 5.021 60 HG SER 6 HG SER 6 -1.988 6.419 2.307 61 H GLN 7 H GLN 7 -4.698 5.432 1.033 62 HA GLN 7 HA GLN 7 -6.304 7.939 0.807 63 HB2 GLN 7 1HB GLN 7 -5.088 6.115 -1.297 64 HB3 GLN 7 2HB GLN 7 -6.018 7.577 -1.638 65 HG2 GLN 7 1HG GLN 7 -4.342 8.962 -0.562 66 HG3 GLN 7 2HG GLN 7 -3.449 7.533 -0.026 67 HE21 GLN 7 2HE2 GLN 7 -1.688 7.177 -1.139 68 HE22 GLN 7 1HE2 GLN 7 -1.483 7.492 -2.852 69 H HIS 8 H HIS 8 -6.707 4.584 1.206 70 HA HIS 8 HA HIS 8 -9.261 4.499 -0.320 71 HB2 HIS 8 1HB HIS 8 -7.394 2.522 0.877 72 HB3 HIS 8 2HB HIS 8 -9.104 2.133 1.045 73 HD1 HIS 8 HD1 HIS 8 -6.472 2.772 -1.653 74 HD2 HIS 8 HD2 HIS 8 -10.367 1.256 -1.266 75 HE1 HIS 8 HE1 HIS 8 -7.086 1.706 -3.893 76 H GLU 9 H GLU 9 -10.474 6.013 0.842 77 HA GLU 9 HA GLU 9 -10.446 6.402 3.561 78 HB2 GLU 9 1HB GLU 9 -12.760 6.743 1.653 79 HB3 GLU 9 2HB GLU 9 -12.691 7.412 3.293 80 HG2 GLU 9 1HG GLU 9 -10.578 8.597 2.659 81 HG3 GLU 9 2HG GLU 9 -10.829 8.057 0.989 82 H ARG 10 H ARG 10 -12.544 3.939 1.975 83 HA ARG 10 HA ARG 10 -14.046 3.384 4.350 84 HB2 ARG 10 1HB ARG 10 -13.359 1.657 1.952 85 HB3 ARG 10 2HB ARG 10 -14.409 1.121 3.274 86 HG2 ARG 10 1HG ARG 10 -15.942 2.988 2.859 87 HG3 ARG 10 2HG ARG 10 -14.900 3.580 1.557 88 HD2 ARG 10 1HD ARG 10 -16.787 2.353 0.618 89 HD3 ARG 10 2HD ARG 10 -15.277 1.494 0.290 90 HE ARG 10 HE ARG 10 -16.008 -0.290 1.556 91 HH11 ARG 10 1HH1 ARG 10 -18.127 2.446 2.300 92 HH12 ARG 10 2HH1 ARG 10 -19.251 1.446 3.177 93 HH21 ARG 10 1HH2 ARG 10 -17.498 -1.492 2.673 94 HH22 ARG 10 2HH2 ARG 10 -18.893 -0.736 3.391 95 H TYR 11 H TYR 11 -10.829 2.314 3.355 96 HA TYR 11 HA TYR 11 -10.646 0.338 5.515 97 HB2 TYR 11 1HB TYR 11 -9.349 -0.055 3.520 98 HB3 TYR 11 2HB TYR 11 -8.626 1.555 3.607 99 HD1 TYR 11 HD2 TYR 11 -8.891 -1.628 5.608 100 HD2 TYR 11 HD1 TYR 11 -6.555 1.861 4.658 101 HE1 TYR 11 HE2 TYR 11 -7.003 -2.499 6.980 102 HE2 TYR 11 HE1 TYR 11 -4.682 0.967 6.035 103 HH TYR 11 HH TYR 11 -3.960 -0.710 7.389 104 H VAL 12 H VAL 12 -9.658 3.682 4.843 105 HA VAL 12 HA VAL 12 -8.142 4.165 7.197 106 HB VAL 12 HB VAL 12 -9.890 6.033 5.528 107 HG11 VAL 12 1HG1 VAL 12 -9.544 6.993 7.795 108 HG12 VAL 12 2HG1 VAL 12 -7.791 6.849 7.553 109 HG13 VAL 12 3HG1 VAL 12 -8.743 7.923 6.516 110 HG21 VAL 12 3HG2 VAL 12 -7.796 6.743 4.508 111 HG22 VAL 12 1HG2 VAL 12 -6.875 5.673 5.591 112 HG23 VAL 12 2HG2 VAL 12 -7.946 4.984 4.360 113 H GLU 13 H GLU 13 -11.689 4.210 6.614 114 HA GLU 13 HA GLU 13 -12.416 5.281 9.146 115 HB2 GLU 13 1HB GLU 13 -13.821 3.429 7.228 116 HB3 GLU 13 2HB GLU 13 -14.575 3.989 8.726 117 HG2 GLU 13 1HG GLU 13 -14.328 6.311 8.025 118 HG3 GLU 13 2HG GLU 13 -13.529 5.801 6.536 119 H GLN 14 H GLN 14 -11.976 1.822 8.210 120 HA GLN 14 HA GLN 14 -12.686 0.905 10.868 121 HB2 GLN 14 1HB GLN 14 -11.144 -0.396 8.593 122 HB3 GLN 14 2HB GLN 14 -11.533 -1.215 10.109 123 HG2 GLN 14 1HG GLN 14 -13.537 -0.103 8.124 124 HG3 GLN 14 2HG GLN 14 -13.131 -1.809 8.365 125 HE21 GLN 14 2HE2 GLN 14 -13.209 -2.341 10.916 126 HE22 GLN 14 1HE2 GLN 14 -14.740 -1.893 11.634 127 H LEU 15 H LEU 15 -9.615 1.641 9.197 128 HA LEU 15 HA LEU 15 -7.970 0.748 11.363 129 HB2 LEU 15 1HB LEU 15 -7.340 1.191 8.927 130 HB3 LEU 15 2HB LEU 15 -7.274 2.895 9.361 131 HG LEU 15 HG LEU 15 -5.526 2.298 11.096 132 HD11 LEU 15 1HD1 LEU 15 -4.324 0.126 10.749 133 HD12 LEU 15 2HD1 LEU 15 -5.635 -0.392 9.664 134 HD13 LEU 15 3HD1 LEU 15 -5.961 -0.088 11.382 135 HD21 LEU 15 3HD2 LEU 15 -3.740 2.035 9.412 136 HD22 LEU 15 1HD2 LEU 15 -4.940 3.258 8.956 137 HD23 LEU 15 2HD2 LEU 15 -4.973 1.657 8.195 138 H LYS 16 H LYS 16 -9.751 3.713 10.796 139 HA LYS 16 HA LYS 16 -8.468 5.499 12.587 140 HB2 LYS 16 1HB LYS 16 -10.699 5.540 11.035 141 HB3 LYS 16 2HB LYS 16 -11.461 5.359 12.598 142 HG2 LYS 16 1HG LYS 16 -10.394 7.426 13.376 143 HG3 LYS 16 2HG LYS 16 -9.569 7.604 11.813 144 HD2 LYS 16 1HD LYS 16 -12.605 7.442 12.099 145 HD3 LYS 16 2HD LYS 16 -11.719 8.976 12.085 146 HE2 LYS 16 1HE LYS 16 -10.888 8.538 9.815 147 HE3 LYS 16 2HE LYS 16 -11.614 6.928 9.822 148 HZ1 LYS 16 3HZ LYS 16 -13.143 9.468 9.916 149 HZ2 LYS 16 1HZ LYS 16 -13.806 7.957 9.921 150 HZ3 LYS 16 2HZ LYS 16 -12.985 8.491 8.597 151 H GLN 17 H GLN 17 -10.913 2.971 13.138 152 HA GLN 17 HA GLN 17 -10.997 3.481 15.994 153 HB2 GLN 17 1HB GLN 17 -11.949 1.087 14.383 154 HB3 GLN 17 2HB GLN 17 -12.332 1.395 16.078 155 HG2 GLN 17 1HG GLN 17 -13.123 3.280 13.818 156 HG3 GLN 17 2HG GLN 17 -14.143 1.962 14.391 157 HE21 GLN 17 2HE2 GLN 17 -15.707 3.631 14.829 158 HE22 GLN 17 1HE2 GLN 17 -15.608 4.529 16.324 159 H ALA 18 H ALA 18 -9.365 1.089 13.852 160 HA ALA 18 HA ALA 18 -8.394 -0.505 15.988 161 HB1 ALA 18 3HB ALA 18 -6.789 -1.388 14.360 162 HB2 ALA 18 1HB ALA 18 -8.385 -1.184 13.597 163 HB3 ALA 18 2HB ALA 18 -7.087 -0.006 13.282 164 H LEU 19 H LEU 19 -6.892 2.353 14.387 165 HA LEU 19 HA LEU 19 -4.406 2.313 15.803 166 HB2 LEU 19 1HB LEU 19 -6.078 4.410 14.422 167 HB3 LEU 19 2HB LEU 19 -4.749 4.951 15.431 168 HG LEU 19 HG LEU 19 -4.129 2.909 13.324 169 HD11 LEU 19 1HD1 LEU 19 -5.483 4.511 12.050 170 HD12 LEU 19 2HD1 LEU 19 -3.758 4.670 11.620 171 HD13 LEU 19 3HD1 LEU 19 -4.530 5.862 12.703 172 HD21 LEU 19 3HD2 LEU 19 -2.059 4.322 13.162 173 HD22 LEU 19 1HD2 LEU 19 -2.343 3.648 14.787 174 HD23 LEU 19 2HD2 LEU 19 -2.714 5.357 14.450 175 H LYS 20 H LYS 20 -7.579 3.755 16.574 176 HA LYS 20 HA LYS 20 -6.639 5.004 19.011 177 HB2 LYS 20 1HB LYS 20 -8.551 5.787 17.606 178 HB3 LYS 20 2HB LYS 20 -9.465 4.352 18.075 179 HG2 LYS 20 1HG LYS 20 -9.420 5.088 20.429 180 HG3 LYS 20 2HG LYS 20 -8.505 6.535 19.956 181 HD2 LYS 20 1HD LYS 20 -10.354 7.263 18.516 182 HD3 LYS 20 2HD LYS 20 -11.265 5.790 18.899 183 HE2 LYS 20 1HE LYS 20 -10.396 7.865 20.956 184 HE3 LYS 20 2HE LYS 20 -11.997 7.821 20.191 185 HZ1 LYS 20 3HZ LYS 20 -10.843 5.655 21.857 186 HZ2 LYS 20 1HZ LYS 20 -12.328 5.617 21.139 187 HZ3 LYS 20 2HZ LYS 20 -12.018 6.711 22.335 188 H THR 21 H THR 21 -8.372 1.930 18.373 189 HA THR 21 HA THR 21 -9.023 1.436 21.128 190 HB THR 21 HB THR 21 -9.227 -1.002 20.356 191 HG1 THR 21 HG1 THR 21 -8.784 0.153 17.792 192 HG21 THR 21 1HG2 THR 21 -10.683 1.221 18.891 193 HG22 THR 21 2HG2 THR 21 -11.234 0.265 20.284 194 HG23 THR 21 3HG2 THR 21 -11.085 -0.492 18.683 195 H ARG 22 H ARG 22 -6.086 0.898 19.257 196 HA ARG 22 HA ARG 22 -4.920 -0.953 21.147 197 HB2 ARG 22 1HB ARG 22 -4.232 0.215 18.653 198 HB3 ARG 22 2HB ARG 22 -2.945 0.666 19.772 199 HG2 ARG 22 1HG ARG 22 -3.929 -2.190 19.458 200 HG3 ARG 22 2HG ARG 22 -2.631 -1.506 18.468 201 HD2 ARG 22 1HD ARG 22 -1.118 -1.782 20.093 202 HD3 ARG 22 2HD ARG 22 -2.141 -0.975 21.282 203 HE ARG 22 HE ARG 22 -2.267 -3.895 20.588 204 HH11 ARG 22 1HH1 ARG 22 -2.891 -1.313 22.965 205 HH12 ARG 22 2HH1 ARG 22 -3.289 -2.477 24.202 206 HH21 ARG 22 1HH2 ARG 22 -2.744 -5.251 22.195 207 HH22 ARG 22 2HH2 ARG 22 -3.232 -4.664 23.774 208 H GLY 23 H GLY 23 -5.487 2.459 21.181 209 HA2 GLY 23 1HA GLY 23 -5.173 3.930 22.928 210 HA3 GLY 23 2HA GLY 23 -4.401 2.635 23.853 211 H VAL 24 H VAL 24 -2.907 2.825 20.881 212 HA VAL 24 HA VAL 24 -0.556 4.097 22.131 213 HB VAL 24 HB VAL 24 -0.870 2.779 19.383 214 HG11 VAL 24 1HG1 VAL 24 1.018 4.398 19.506 215 HG12 VAL 24 2HG1 VAL 24 1.647 3.552 20.939 216 HG13 VAL 24 3HG1 VAL 24 1.596 2.730 19.362 217 HG21 VAL 24 3HG2 VAL 24 -1.210 1.151 21.216 218 HG22 VAL 24 1HG2 VAL 24 0.334 0.859 20.398 219 HG23 VAL 24 2HG2 VAL 24 0.305 1.674 21.980 220 H LYS 25 H LYS 25 -0.051 6.187 21.765 221 HA LYS 25 HA LYS 25 -1.888 7.733 20.079 222 HB2 LYS 25 1HB LYS 25 0.473 8.557 21.811 223 HB3 LYS 25 2HB LYS 25 -0.623 9.679 20.988 224 HG2 LYS 25 1HG LYS 25 -2.516 8.827 22.298 225 HG3 LYS 25 2HG LYS 25 -1.458 7.645 23.087 226 HD2 LYS 25 1HD LYS 25 -0.114 9.486 24.047 227 HD3 LYS 25 2HD LYS 25 -1.186 10.668 23.266 228 HE2 LYS 25 1HE LYS 25 -1.838 10.393 25.604 229 HE3 LYS 25 2HE LYS 25 -3.112 9.756 24.547 230 HZ1 LYS 25 3HZ LYS 25 -1.075 8.115 25.957 231 HZ2 LYS 25 1HZ LYS 25 -2.256 7.519 24.971 232 HZ3 LYS 25 2HZ LYS 25 -2.660 8.256 26.391 233 H VAL 26 H VAL 26 -1.338 6.859 18.048 234 HA VAL 26 HA VAL 26 1.007 8.239 16.827 235 HB VAL 26 HB VAL 26 1.211 6.200 15.275 236 HG11 VAL 26 1HG1 VAL 26 2.933 6.717 16.914 237 HG12 VAL 26 2HG1 VAL 26 2.024 5.879 18.188 238 HG13 VAL 26 3HG1 VAL 26 2.698 4.958 16.822 239 HG21 VAL 26 3HG2 VAL 26 -0.944 5.124 16.024 240 HG22 VAL 26 1HG2 VAL 26 0.455 4.036 16.057 241 HG23 VAL 26 2HG2 VAL 26 -0.167 4.732 17.566 242 H LYS 27 H LYS 27 0.695 8.551 14.525 243 HA LYS 27 HA LYS 27 -2.201 9.037 13.950 244 HB2 LYS 27 1HB LYS 27 -0.043 10.677 13.945 245 HB3 LYS 27 2HB LYS 27 0.019 10.138 12.272 246 HG2 LYS 27 1HG LYS 27 -2.243 10.972 11.880 247 HG3 LYS 27 2HG LYS 27 -2.409 11.412 13.590 248 HD2 LYS 27 1HD LYS 27 -0.303 12.578 11.716 249 HD3 LYS 27 2HD LYS 27 -1.861 13.350 12.071 250 HE2 LYS 27 1HE LYS 27 -1.260 13.414 14.498 251 HE3 LYS 27 2HE LYS 27 0.323 12.708 14.112 252 HZ1 LYS 27 3HZ LYS 27 0.446 15.105 14.308 253 HZ2 LYS 27 1HZ LYS 27 -0.667 15.314 13.107 254 HZ3 LYS 27 2HZ LYS 27 0.806 14.649 12.765 255 H PHE 28 H PHE 28 -2.744 8.889 11.544 256 HA PHE 28 HA PHE 28 -2.216 6.299 10.480 257 HB2 PHE 28 1HB PHE 28 -3.169 8.909 9.248 258 HB3 PHE 28 2HB PHE 28 -2.937 7.453 8.276 259 HD1 PHE 28 HD1 PHE 28 -4.936 8.924 11.054 260 HD2 PHE 28 HD2 PHE 28 -4.456 5.637 8.326 261 HE1 PHE 28 HE1 PHE 28 -7.224 8.122 11.615 262 HE2 PHE 28 HE2 PHE 28 -6.731 4.840 8.877 263 HZ PHE 28 HZ PHE 28 -8.120 6.079 10.500 264 H ALA 29 H ALA 29 -0.639 9.449 9.997 265 HA ALA 29 HA ALA 29 0.984 8.744 7.796 266 HB1 ALA 29 3HB ALA 29 1.606 10.655 10.100 267 HB2 ALA 29 1HB ALA 29 2.397 10.637 8.509 268 HB3 ALA 29 2HB ALA 29 0.676 11.071 8.633 269 H ASP 30 H ASP 30 1.437 8.293 11.295 270 HA ASP 30 HA ASP 30 4.170 7.431 11.050 271 HB2 ASP 30 1HB ASP 30 2.194 6.924 13.303 272 HB3 ASP 30 2HB ASP 30 3.958 6.847 13.410 273 H LEU 31 H LEU 31 1.000 5.801 11.409 274 HA LEU 31 HA LEU 31 2.178 3.193 11.629 275 HB2 LEU 31 1HB LEU 31 -0.041 3.706 12.519 276 HB3 LEU 31 2HB LEU 31 -0.645 4.028 10.890 277 HG LEU 31 HG LEU 31 -0.268 1.672 10.264 278 HD11 LEU 31 1HD1 LEU 31 0.188 0.051 12.183 279 HD12 LEU 31 2HD1 LEU 31 0.748 1.457 13.109 280 HD13 LEU 31 3HD1 LEU 31 1.568 0.996 11.591 281 HD21 LEU 31 3HD2 LEU 31 -2.056 0.677 11.503 282 HD22 LEU 31 1HD2 LEU 31 -2.434 2.396 11.269 283 HD23 LEU 31 2HD2 LEU 31 -1.841 1.823 12.846 284 H LEU 32 H LEU 32 0.354 4.717 8.929 285 HA LEU 32 HA LEU 32 0.775 2.473 7.197 286 HB2 LEU 32 1HB LEU 32 0.069 5.349 6.644 287 HB3 LEU 32 2HB LEU 32 0.392 4.234 5.334 288 HG LEU 32 HG LEU 32 -1.957 4.388 5.592 289 HD11 LEU 32 1HD1 LEU 32 -1.035 2.102 5.153 290 HD12 LEU 32 2HD1 LEU 32 -2.638 2.113 5.900 291 HD13 LEU 32 3HD1 LEU 32 -1.205 1.746 6.885 292 HD21 LEU 32 3HD2 LEU 32 -1.659 3.509 8.469 293 HD22 LEU 32 1HD2 LEU 32 -3.160 3.901 7.579 294 HD23 LEU 32 2HD2 LEU 32 -1.980 5.173 7.910 295 H LYS 33 H LYS 33 2.976 5.000 8.059 296 HA LYS 33 HA LYS 33 4.762 4.860 5.826 297 HB2 LYS 33 1HB LYS 33 5.037 6.463 7.671 298 HB3 LYS 33 2HB LYS 33 5.368 5.142 8.796 299 HG2 LYS 33 1HG LYS 33 7.419 4.590 7.614 300 HG3 LYS 33 2HG LYS 33 7.082 5.847 6.401 301 HD2 LYS 33 1HD LYS 33 7.195 7.574 8.160 302 HD3 LYS 33 2HD LYS 33 7.483 6.319 9.381 303 HE2 LYS 33 1HE LYS 33 9.605 7.342 8.782 304 HE3 LYS 33 2HE LYS 33 9.575 5.666 8.200 305 HZ1 LYS 33 3HZ LYS 33 9.042 6.508 5.991 306 HZ2 LYS 33 1HZ LYS 33 10.453 7.172 6.527 307 HZ3 LYS 33 2HZ LYS 33 9.067 8.067 6.531 308 H PHE 34 H PHE 34 4.406 2.748 8.699 309 HA PHE 34 HA PHE 34 6.620 1.042 7.874 310 HB2 PHE 34 1HB PHE 34 4.502 0.874 10.020 311 HB3 PHE 34 2HB PHE 34 5.646 -0.435 9.730 312 HD1 PHE 34 HD2 PHE 34 5.308 3.080 10.798 313 HD2 PHE 34 HD1 PHE 34 7.995 -0.227 10.331 314 HE1 PHE 34 HE2 PHE 34 7.004 4.302 12.130 315 HE2 PHE 34 HE1 PHE 34 9.718 0.987 11.662 316 HZ PHE 34 HZ PHE 34 9.222 3.262 12.561 317 H PHE 35 H PHE 35 3.183 1.162 7.217 318 HA PHE 35 HA PHE 35 2.958 -1.581 6.287 319 HB2 PHE 35 1HB PHE 35 1.362 0.939 5.806 320 HB3 PHE 35 2HB PHE 35 1.035 -0.538 4.912 321 HD1 PHE 35 HD2 PHE 35 1.900 -0.137 8.587 322 HD2 PHE 35 HD1 PHE 35 -1.007 -1.282 5.639 323 HE1 PHE 35 HE2 PHE 35 0.415 -0.985 10.361 324 HE2 PHE 35 HE1 PHE 35 -2.501 -2.090 7.433 325 HZ PHE 35 HZ PHE 35 -1.798 -1.946 9.804 326 H ASP 36 H ASP 36 4.344 1.382 4.995 327 HA ASP 36 HA ASP 36 4.381 0.285 2.267 328 HB2 ASP 36 1HB ASP 36 4.433 2.834 3.248 329 HB3 ASP 36 2HB ASP 36 6.149 2.559 2.902 330 H PHE 37 H PHE 37 6.346 0.194 5.131 331 HA PHE 37 HA PHE 37 8.833 -0.431 3.782 332 HB2 PHE 37 1HB PHE 37 8.662 0.493 6.098 333 HB3 PHE 37 2HB PHE 37 7.984 -1.047 6.635 334 HD1 PHE 37 HD1 PHE 37 10.940 0.037 4.540 335 HD2 PHE 37 HD2 PHE 37 9.489 -2.389 7.788 336 HE1 PHE 37 HE1 PHE 37 13.240 -0.842 4.906 337 HE2 PHE 37 HE2 PHE 37 11.790 -3.272 8.159 338 HZ PHE 37 HZ PHE 37 13.668 -2.507 6.710 339 H VAL 38 H VAL 38 6.154 -2.395 5.171 340 HA VAL 38 HA VAL 38 7.471 -4.914 4.643 341 HB VAL 38 HB VAL 38 5.679 -5.229 6.126 342 HG11 VAL 38 1HG1 VAL 38 4.568 -3.095 5.873 343 HG12 VAL 38 2HG1 VAL 38 3.878 -3.617 4.315 344 HG13 VAL 38 3HG1 VAL 38 3.394 -4.412 5.824 345 HG21 VAL 38 3HG2 VAL 38 5.598 -6.909 4.239 346 HG22 VAL 38 1HG2 VAL 38 4.045 -6.683 5.068 347 HG23 VAL 38 2HG2 VAL 38 4.318 -5.935 3.480 348 H LYS 39 H LYS 39 5.491 -2.711 2.685 349 HA LYS 39 HA LYS 39 5.066 -4.435 0.460 350 HB2 LYS 39 1HB LYS 39 3.997 -2.235 0.823 351 HB3 LYS 39 2HB LYS 39 5.510 -1.434 0.561 352 HG2 LYS 39 1HG LYS 39 4.263 -3.148 -1.603 353 HG3 LYS 39 2HG LYS 39 3.747 -1.487 -1.342 354 HD2 LYS 39 1HD LYS 39 6.472 -2.445 -2.283 355 HD3 LYS 39 2HD LYS 39 5.319 -1.428 -3.137 356 HE2 LYS 39 1HE LYS 39 6.983 -0.653 -0.700 357 HE3 LYS 39 2HE LYS 39 7.226 -0.105 -2.354 358 HZ1 LYS 39 3HZ LYS 39 6.118 1.541 -0.966 359 HZ2 LYS 39 1HZ LYS 39 4.851 0.526 -0.706 360 HZ3 LYS 39 2HZ LYS 39 5.150 1.089 -2.225 361 H ASP 40 H ASP 40 7.827 -2.306 1.279 362 HA ASP 40 HA ASP 40 9.202 -2.872 -1.206 363 HB2 ASP 40 1HB ASP 40 9.544 -1.177 1.119 364 HB3 ASP 40 2HB ASP 40 11.060 -2.020 0.764 365 H THR 41 H THR 41 9.662 -3.993 2.179 366 HA THR 41 HA THR 41 11.955 -5.602 1.507 367 HB THR 41 HB THR 41 10.151 -6.067 3.917 368 HG1 THR 41 HG1 THR 41 10.517 -3.856 3.861 369 HG21 THR 41 1HG2 THR 41 13.173 -6.200 3.512 370 HG22 THR 41 2HG2 THR 41 12.084 -7.604 3.600 371 HG23 THR 41 3HG2 THR 41 12.308 -6.563 5.016 372 H CYS 42 H CYS 42 8.483 -6.232 1.661 373 HA CYS 42 HA CYS 42 8.991 -9.030 0.723 374 HB2 CYS 42 1HB CYS 42 6.654 -7.956 2.344 375 HB3 CYS 42 2HB CYS 42 6.860 -9.623 1.796 376 HG CYS 42 HG CYS 42 7.209 -9.355 4.382 377 HA PRO 43 HA PRO 43 6.656 -6.520 -2.380 378 HB2 PRO 43 1HB PRO 43 7.824 -7.476 -4.658 379 HB3 PRO 43 2HB PRO 43 8.582 -6.197 -3.655 380 HG2 PRO 43 1HG PRO 43 9.106 -9.166 -3.632 381 HG3 PRO 43 2HG PRO 43 10.281 -7.817 -3.757 382 HD2 PRO 43 1HD PRO 43 9.755 -9.030 -1.396 383 HD3 PRO 43 2HD PRO 43 10.048 -7.254 -1.491 384 H TRP 44 H TRP 44 7.248 -9.894 -1.923 385 HA TRP 44 HA TRP 44 5.160 -10.831 -3.702 386 HB2 TRP 44 1HB TRP 44 5.632 -12.946 -2.192 387 HB3 TRP 44 2HB TRP 44 6.758 -12.433 -3.462 388 HD1 TRP 44 HD1 TRP 44 6.288 -11.839 0.312 389 HE1 TRP 44 HE1 TRP 44 8.563 -11.599 1.466 390 HE3 TRP 44 HE3 TRP 44 9.180 -12.131 -3.863 391 HZ2 TRP 44 HZ2 TRP 44 11.291 -11.480 0.647 392 HZ3 TRP 44 HZ3 TRP 44 11.666 -11.937 -3.626 393 HH2 TRP 44 HH2 TRP 44 12.698 -11.599 -1.379 394 H PHE 45 H PHE 45 5.213 -9.563 -0.443 395 HA PHE 45 HA PHE 45 2.973 -11.086 0.520 396 HB2 PHE 45 1HB PHE 45 4.493 -9.868 2.021 397 HB3 PHE 45 2HB PHE 45 3.909 -8.330 1.387 398 HD1 PHE 45 HD1 PHE 45 3.085 -11.253 3.494 399 HD2 PHE 45 HD2 PHE 45 1.686 -7.474 1.980 400 HE1 PHE 45 HE1 PHE 45 1.234 -11.271 5.165 401 HE2 PHE 45 HE2 PHE 45 -0.172 -7.498 3.631 402 HZ PHE 45 HZ PHE 45 -0.403 -9.383 5.234 403 HA PRO 46 HA PRO 46 0.095 -7.731 -0.886 404 HB2 PRO 46 1HB PRO 46 0.731 -5.898 -2.800 405 HB3 PRO 46 2HB PRO 46 1.028 -5.602 -1.055 406 HG2 PRO 46 1HG PRO 46 2.926 -6.622 -3.138 407 HG3 PRO 46 2HG PRO 46 3.132 -5.254 -1.999 408 HD2 PRO 46 1HD PRO 46 4.147 -7.678 -1.472 409 HD3 PRO 46 2HD PRO 46 3.427 -6.680 -0.169 410 H GLN 47 H GLN 47 2.413 -9.220 -3.060 411 HA GLN 47 HA GLN 47 0.667 -9.380 -5.347 412 HB2 GLN 47 1HB GLN 47 3.190 -9.658 -5.303 413 HB3 GLN 47 2HB GLN 47 2.931 -11.266 -4.624 414 HG2 GLN 47 1HG GLN 47 1.680 -11.934 -6.613 415 HG3 GLN 47 2HG GLN 47 1.829 -10.299 -7.279 416 HE21 GLN 47 2HE2 GLN 47 2.930 -13.254 -7.752 417 HE22 GLN 47 1HE2 GLN 47 4.573 -12.918 -8.244 418 H GLU 48 H GLU 48 1.323 -11.535 -2.546 419 HA GLU 48 HA GLU 48 -0.488 -13.611 -3.508 420 HB2 GLU 48 1HB GLU 48 0.648 -13.002 -0.748 421 HB3 GLU 48 2HB GLU 48 -0.370 -14.400 -1.116 422 HG2 GLU 48 1HG GLU 48 1.334 -15.094 -2.844 423 HG3 GLU 48 2HG GLU 48 2.393 -13.818 -2.230 424 H GLY 49 H GLY 49 -0.741 -10.626 -1.694 425 HA2 GLY 49 1HA GLY 49 -2.559 -9.407 -1.048 426 HA3 GLY 49 2HA GLY 49 -3.486 -10.338 -2.222 427 H THR 50 H THR 50 -2.018 -12.137 0.334 428 HA THR 50 HA THR 50 -4.733 -12.515 1.533 429 HB THR 50 HB THR 50 -2.403 -14.466 1.311 430 HG1 THR 50 HG1 THR 50 -3.571 -13.962 -0.671 431 HG21 THR 50 1HG2 THR 50 -5.242 -14.792 2.347 432 HG22 THR 50 2HG2 THR 50 -3.728 -14.985 3.270 433 HG23 THR 50 3HG2 THR 50 -4.140 -16.140 1.984 434 H ILE 51 H ILE 51 -4.963 -12.311 3.719 435 HA ILE 51 HA ILE 51 -2.464 -11.592 5.217 436 HB ILE 51 HB ILE 51 -5.155 -10.169 5.266 437 HG12 ILE 51 1HG1 ILE 51 -2.416 -9.231 4.310 438 HG13 ILE 51 2HG1 ILE 51 -3.691 -9.797 3.237 439 HG21 ILE 51 1HG2 ILE 51 -2.567 -9.453 6.760 440 HG22 ILE 51 2HG2 ILE 51 -4.119 -8.578 6.825 441 HG23 ILE 51 3HG2 ILE 51 -3.997 -10.201 7.516 442 HD11 ILE 51 3HD1 ILE 51 -5.140 -8.015 4.106 443 HD12 ILE 51 1HD1 ILE 51 -3.708 -7.368 4.944 444 HD13 ILE 51 2HD1 ILE 51 -3.717 -7.498 3.180 445 H ASP 52 H ASP 52 -2.159 -13.210 6.487 446 HA ASP 52 HA ASP 52 -4.135 -13.734 8.614 447 HB2 ASP 52 1HB ASP 52 -4.521 -15.503 6.852 448 HB3 ASP 52 2HB ASP 52 -2.809 -15.936 7.000 449 H ILE 53 H ILE 53 -2.930 -14.858 10.389 450 HA ILE 53 HA ILE 53 -0.438 -13.537 10.783 451 HB ILE 53 HB ILE 53 -2.066 -14.279 12.532 452 HG12 ILE 53 1HG1 ILE 53 -0.337 -14.954 14.228 453 HG13 ILE 53 2HG1 ILE 53 0.813 -15.164 12.912 454 HG21 ILE 53 1HG2 ILE 53 -2.489 -16.587 11.735 455 HG22 ILE 53 2HG2 ILE 53 -0.830 -17.045 12.203 456 HG23 ILE 53 3HG2 ILE 53 -2.006 -16.547 13.440 457 HD11 ILE 53 3HD1 ILE 53 1.046 -13.006 14.159 458 HD12 ILE 53 1HD1 ILE 53 0.804 -12.802 12.413 459 HD13 ILE 53 2HD1 ILE 53 -0.550 -12.524 13.542 460 H LYS 54 H LYS 54 -1.239 -16.682 9.452 461 HA LYS 54 HA LYS 54 1.339 -17.896 9.666 462 HB2 LYS 54 1HB LYS 54 -0.740 -18.207 7.464 463 HB3 LYS 54 2HB LYS 54 0.573 -19.338 7.819 464 HG2 LYS 54 1HG LYS 54 -0.455 -19.833 10.026 465 HG3 LYS 54 2HG LYS 54 -1.745 -18.670 9.684 466 HD2 LYS 54 1HD LYS 54 -2.236 -20.059 7.567 467 HD3 LYS 54 2HD LYS 54 -1.188 -21.300 8.279 468 HE2 LYS 54 1HE LYS 54 -3.158 -22.044 9.180 469 HE3 LYS 54 2HE LYS 54 -2.819 -20.808 10.404 470 HZ1 LYS 54 3HZ LYS 54 -5.066 -20.551 9.645 471 HZ2 LYS 54 1HZ LYS 54 -4.619 -20.522 8.058 472 HZ3 LYS 54 2HZ LYS 54 -4.213 -19.266 9.045 473 H ARG 55 H ARG 55 -0.043 -15.613 7.336 474 HA ARG 55 HA ARG 55 2.356 -15.727 5.629 475 HB2 ARG 55 1HB ARG 55 -0.288 -15.233 5.158 476 HB3 ARG 55 2HB ARG 55 0.350 -13.586 5.207 477 HG2 ARG 55 1HG ARG 55 1.774 -13.961 3.366 478 HG3 ARG 55 2HG ARG 55 1.692 -15.728 3.540 479 HD2 ARG 55 1HD ARG 55 -0.722 -14.057 2.880 480 HD3 ARG 55 2HD ARG 55 0.330 -14.679 1.629 481 HE ARG 55 HE ARG 55 -1.585 -16.170 3.250 482 HH11 ARG 55 1HH1 ARG 55 1.165 -16.436 1.033 483 HH12 ARG 55 2HH1 ARG 55 0.750 -18.070 0.591 484 HH21 ARG 55 1HH2 ARG 55 -2.038 -18.256 2.625 485 HH22 ARG 55 2HH2 ARG 55 -1.017 -19.076 1.476 486 H TRP 56 H TRP 56 0.815 -13.528 7.969 487 HA TRP 56 HA TRP 56 2.556 -11.314 7.594 488 HB2 TRP 56 1HB TRP 56 0.385 -11.331 8.833 489 HB3 TRP 56 2HB TRP 56 1.181 -12.197 10.153 490 HD1 TRP 56 HD1 TRP 56 1.953 -10.624 12.040 491 HE1 TRP 56 HE1 TRP 56 2.683 -8.199 12.321 492 HE3 TRP 56 HE3 TRP 56 1.649 -9.236 7.127 493 HZ2 TRP 56 HZ2 TRP 56 3.110 -5.951 10.623 494 HZ3 TRP 56 HZ3 TRP 56 2.275 -6.901 6.505 495 HH2 TRP 56 HH2 TRP 56 2.985 -5.272 8.251 496 H ARG 57 H ARG 57 3.013 -14.316 9.420 497 HA ARG 57 HA ARG 57 5.212 -13.476 11.012 498 HB2 ARG 57 1HB ARG 57 4.280 -16.104 9.942 499 HB3 ARG 57 2HB ARG 57 5.851 -15.992 10.761 500 HG2 ARG 57 1HG ARG 57 4.920 -15.448 12.810 501 HG3 ARG 57 2HG ARG 57 3.462 -14.748 12.087 502 HD2 ARG 57 1HD ARG 57 2.666 -16.973 11.469 503 HD3 ARG 57 2HD ARG 57 4.122 -17.700 12.185 504 HE ARG 57 HE ARG 57 2.860 -16.055 14.130 505 HH11 ARG 57 1HH1 ARG 57 2.222 -19.099 12.470 506 HH12 ARG 57 2HH1 ARG 57 1.189 -19.685 13.747 507 HH21 ARG 57 1HH2 ARG 57 1.514 -16.859 15.711 508 HH22 ARG 57 2HH2 ARG 57 0.797 -18.436 15.548 509 H ARG 58 H ARG 58 5.165 -14.709 7.681 510 HA ARG 58 HA ARG 58 7.981 -14.759 7.298 511 HB2 ARG 58 1HB ARG 58 5.674 -14.341 5.393 512 HB3 ARG 58 2HB ARG 58 7.353 -14.351 4.849 513 HG2 ARG 58 1HG ARG 58 7.678 -16.592 5.671 514 HG3 ARG 58 2HG ARG 58 6.043 -16.622 6.361 515 HD2 ARG 58 1HD ARG 58 5.038 -16.488 4.170 516 HD3 ARG 58 2HD ARG 58 6.609 -16.166 3.416 517 HE ARG 58 HE ARG 58 7.120 -18.408 3.457 518 HH11 ARG 58 1HH1 ARG 58 4.293 -17.946 5.535 519 HH12 ARG 58 2HH1 ARG 58 4.013 -19.660 5.677 520 HH21 ARG 58 1HH2 ARG 58 6.697 -20.562 3.689 521 HH22 ARG 58 2HH2 ARG 58 5.355 -21.115 4.652 522 H VAL 59 H VAL 59 5.825 -11.987 7.416 523 HA VAL 59 HA VAL 59 7.611 -10.208 6.000 524 HB VAL 59 HB VAL 59 5.490 -9.595 8.103 525 HG11 VAL 59 1HG1 VAL 59 6.861 -7.803 6.082 526 HG12 VAL 59 2HG1 VAL 59 5.464 -7.349 7.095 527 HG13 VAL 59 3HG1 VAL 59 7.017 -7.739 7.849 528 HG21 VAL 59 3HG2 VAL 59 4.508 -10.771 6.245 529 HG22 VAL 59 1HG2 VAL 59 4.079 -9.058 6.121 530 HG23 VAL 59 2HG2 VAL 59 5.353 -9.728 5.078 531 H GLY 60 H GLY 60 7.129 -11.169 9.385 532 HA2 GLY 60 1HA GLY 60 9.035 -9.270 10.422 533 HA3 GLY 60 2HA GLY 60 8.360 -10.686 11.257 534 H ASP 61 H ASP 61 9.111 -12.647 9.343 535 HA ASP 61 HA ASP 61 11.778 -13.252 10.128 536 HB2 ASP 61 1HB ASP 61 10.227 -14.245 7.696 537 HB3 ASP 61 2HB ASP 61 11.663 -15.011 8.386 538 H CYS 62 H CYS 62 10.403 -11.771 7.179 539 HA CYS 62 HA CYS 62 12.825 -11.522 5.712 540 HB2 CYS 62 1HB CYS 62 10.168 -10.954 5.307 541 HB3 CYS 62 2HB CYS 62 10.849 -9.334 5.436 542 HG CYS 62 HG CYS 62 10.649 -9.710 2.983 543 H PHE 63 H PHE 63 11.266 -9.277 8.064 544 HA PHE 63 HA PHE 63 13.203 -7.176 7.680 545 HB2 PHE 63 1HB PHE 63 11.610 -7.883 10.175 546 HB3 PHE 63 2HB PHE 63 12.517 -6.393 9.939 547 HD1 PHE 63 HD2 PHE 63 11.654 -6.004 6.928 548 HD2 PHE 63 HD1 PHE 63 9.492 -6.810 10.562 549 HE1 PHE 63 HE2 PHE 63 9.648 -4.892 5.976 550 HE2 PHE 63 HE1 PHE 63 7.488 -5.676 9.619 551 HZ PHE 63 HZ PHE 63 7.565 -4.714 7.324 552 H GLN 64 H GLN 64 13.047 -10.062 9.757 553 HA GLN 64 HA GLN 64 15.314 -9.399 11.381 554 HB2 GLN 64 1HB GLN 64 13.565 -11.093 11.922 555 HB3 GLN 64 2HB GLN 64 14.190 -12.117 10.631 556 HG2 GLN 64 1HG GLN 64 16.357 -12.266 11.800 557 HG3 GLN 64 2HG GLN 64 15.697 -11.277 13.115 558 HE21 GLN 64 2HE2 GLN 64 15.209 -14.301 11.300 559 HE22 GLN 64 1HE2 GLN 64 14.488 -15.172 12.634 560 H ASP 65 H ASP 65 14.958 -11.318 8.371 561 HA ASP 65 HA ASP 65 17.659 -12.158 8.228 562 HB2 ASP 65 1HB ASP 65 15.596 -11.636 6.073 563 HB3 ASP 65 2HB ASP 65 17.191 -12.333 5.745 564 H TYR 66 H TYR 66 16.039 -9.276 6.854 565 HA TYR 66 HA TYR 66 18.411 -8.238 5.628 566 HB2 TYR 66 1HB TYR 66 15.849 -7.627 5.419 567 HB3 TYR 66 2HB TYR 66 16.230 -6.441 6.662 568 HD1 TYR 66 HD1 TYR 66 18.666 -5.134 6.006 569 HD2 TYR 66 HD2 TYR 66 15.834 -6.844 3.247 570 HE1 TYR 66 HE1 TYR 66 19.538 -3.673 4.196 571 HE2 TYR 66 HE2 TYR 66 16.701 -5.353 1.449 572 HH TYR 66 HH TYR 66 18.291 -3.840 0.852 573 H PHE 67 H PHE 67 16.961 -7.814 8.873 574 HA PHE 67 HA PHE 67 18.778 -5.776 9.755 575 HB2 PHE 67 1HB PHE 67 16.606 -6.344 10.807 576 HB3 PHE 67 2HB PHE 67 17.287 -7.876 11.368 577 HD1 PHE 67 HD2 PHE 67 19.102 -7.871 13.112 578 HD2 PHE 67 HD1 PHE 67 17.026 -4.289 11.950 579 HE1 PHE 67 HE2 PHE 67 19.903 -6.739 15.179 580 HE2 PHE 67 HE1 PHE 67 17.792 -3.163 14.014 581 HZ PHE 67 HZ PHE 67 19.249 -4.377 15.637 582 H ASN 68 H ASN 68 19.001 -9.388 9.884 583 HA ASN 68 HA ASN 68 21.350 -9.215 11.578 584 HB2 ASN 68 1HB ASN 68 21.405 -11.498 11.579 585 HB3 ASN 68 2HB ASN 68 19.705 -11.241 11.174 586 HD21 ASN 68 2HD2 ASN 68 18.995 -12.487 9.595 587 HD22 ASN 68 1HD2 ASN 68 19.966 -13.190 8.327 588 H THR 69 H THR 69 20.765 -9.188 8.134 589 HA THR 69 HA THR 69 23.480 -9.599 7.321 590 HB THR 69 HB THR 69 21.272 -8.064 5.850 591 HG1 THR 69 HG1 THR 69 20.576 -10.164 6.380 592 HG21 THR 69 1HG2 THR 69 23.471 -7.775 4.796 593 HG22 THR 69 2HG2 THR 69 22.465 -8.869 3.820 594 HG23 THR 69 3HG2 THR 69 23.748 -9.533 4.857 595 H PHE 70 H PHE 70 21.585 -6.611 7.988 596 HA PHE 70 HA PHE 70 24.134 -5.098 7.576 597 HB2 PHE 70 1HB PHE 70 21.753 -5.057 6.089 598 HB3 PHE 70 2HB PHE 70 21.819 -3.539 6.968 599 HD1 PHE 70 HD1 PHE 70 23.949 -2.100 6.778 600 HD2 PHE 70 HD2 PHE 70 23.118 -5.443 4.198 601 HE1 PHE 70 HE1 PHE 70 25.619 -1.244 5.141 602 HE2 PHE 70 HE2 PHE 70 24.785 -4.597 2.553 603 HZ PHE 70 HZ PHE 70 26.042 -2.492 3.021 604 H GLY 71 H GLY 71 22.128 -5.799 10.084 605 HA2 GLY 71 1HA GLY 71 22.219 -4.891 12.184 606 HA3 GLY 71 2HA GLY 71 23.280 -3.626 11.571 607 HA PRO 72 HA PRO 72 19.128 -1.905 12.844 608 HB2 PRO 72 1HB PRO 72 19.961 -0.249 14.835 609 HB3 PRO 72 2HB PRO 72 19.692 -2.000 15.106 610 HG2 PRO 72 1HG PRO 72 22.261 -0.566 14.498 611 HG3 PRO 72 2HG PRO 72 21.895 -1.705 15.834 612 HD2 PRO 72 1HD PRO 72 23.112 -2.538 13.576 613 HD3 PRO 72 2HD PRO 72 21.886 -3.565 14.401 614 H GLU 73 H GLU 73 22.126 -0.633 11.737 615 HA GLU 73 HA GLU 73 21.331 2.135 11.510 616 HB2 GLU 73 1HB GLU 73 23.429 0.533 9.999 617 HB3 GLU 73 2HB GLU 73 23.312 2.299 10.056 618 HG2 GLU 73 1HG GLU 73 23.646 2.186 12.539 619 HG3 GLU 73 2HG GLU 73 23.908 0.439 12.386 620 H LYS 74 H LYS 74 20.980 -0.783 9.571 621 HA LYS 74 HA LYS 74 19.961 0.815 7.288 622 HB2 LYS 74 1HB LYS 74 21.563 -1.396 7.453 623 HB3 LYS 74 2HB LYS 74 19.998 -2.129 7.093 624 HG2 LYS 74 1HG LYS 74 21.317 0.074 5.455 625 HG3 LYS 74 2HG LYS 74 21.386 -1.656 5.082 626 HD2 LYS 74 1HD LYS 74 18.868 -1.660 4.997 627 HD3 LYS 74 2HD LYS 74 18.924 0.111 5.115 628 HE2 LYS 74 1HE LYS 74 20.280 0.224 3.075 629 HE3 LYS 74 2HE LYS 74 20.279 -1.553 2.963 630 HZ1 LYS 74 3HZ LYS 74 17.909 -1.513 2.696 631 HZ2 LYS 74 1HZ LYS 74 18.572 -0.510 1.568 632 HZ3 LYS 74 2HZ LYS 74 17.838 0.124 2.905 633 H VAL 75 H VAL 75 18.834 -1.657 9.647 634 HA VAL 75 HA VAL 75 16.061 -1.059 8.641 635 HB VAL 75 HB VAL 75 17.097 -3.610 9.970 636 HG11 VAL 75 1HG1 VAL 75 14.309 -2.925 8.935 637 HG12 VAL 75 2HG1 VAL 75 14.830 -4.535 9.485 638 HG13 VAL 75 3HG1 VAL 75 14.772 -3.186 10.634 639 HG21 VAL 75 3HG2 VAL 75 16.211 -3.085 7.112 640 HG22 VAL 75 1HG2 VAL 75 17.851 -3.497 7.669 641 HG23 VAL 75 2HG2 VAL 75 16.550 -4.687 7.806 642 HA PRO 76 HA PRO 76 16.115 0.455 12.762 643 HB2 PRO 76 1HB PRO 76 13.602 1.389 13.072 644 HB3 PRO 76 2HB PRO 76 14.773 2.194 12.012 645 HG2 PRO 76 1HG PRO 76 12.576 0.311 11.308 646 HG3 PRO 76 2HG PRO 76 13.013 1.862 10.543 647 HD2 PRO 76 1HD PRO 76 13.782 -0.576 9.551 648 HD3 PRO 76 2HD PRO 76 14.770 0.913 9.359 649 H VAL 77 H VAL 77 15.643 -0.283 14.839 650 HA VAL 77 HA VAL 77 14.442 -2.870 15.083 651 HB VAL 77 HB VAL 77 14.639 -2.506 17.543 652 HG11 VAL 77 1HG1 VAL 77 17.115 -1.680 15.959 653 HG12 VAL 77 2HG1 VAL 77 17.091 -2.375 17.595 654 HG13 VAL 77 3HG1 VAL 77 16.551 -3.349 16.214 655 HG21 VAL 77 3HG2 VAL 77 15.694 0.259 16.778 656 HG22 VAL 77 1HG2 VAL 77 14.155 -0.069 17.612 657 HG23 VAL 77 2HG2 VAL 77 15.692 -0.453 18.402 658 H THR 78 H THR 78 13.069 0.339 15.103 659 HA THR 78 HA THR 78 10.696 -0.368 16.586 660 HB THR 78 HB THR 78 11.279 1.957 16.366 661 HG1 THR 78 HG1 THR 78 9.082 1.523 16.556 662 HG21 THR 78 1HG2 THR 78 11.053 1.532 13.422 663 HG22 THR 78 2HG2 THR 78 12.335 2.332 14.368 664 HG23 THR 78 3HG2 THR 78 10.770 3.121 14.155 665 H ALA 79 H ALA 79 11.755 -0.985 13.320 666 HA ALA 79 HA ALA 79 9.157 -1.253 12.158 667 HB1 ALA 79 3HB ALA 79 11.178 -1.158 10.852 668 HB2 ALA 79 1HB ALA 79 11.764 -2.671 11.573 669 HB3 ALA 79 2HB ALA 79 10.325 -2.684 10.520 670 H PHE 80 H PHE 80 11.149 -3.467 14.124 671 HA PHE 80 HA PHE 80 9.364 -5.724 13.787 672 HB2 PHE 80 1HB PHE 80 11.368 -5.094 15.984 673 HB3 PHE 80 2HB PHE 80 10.592 -6.658 15.714 674 HD1 PHE 80 HD2 PHE 80 11.223 -8.077 13.825 675 HD2 PHE 80 HD1 PHE 80 13.137 -4.295 14.520 676 HE1 PHE 80 HE2 PHE 80 13.029 -8.708 12.257 677 HE2 PHE 80 HE1 PHE 80 14.943 -4.895 12.943 678 HZ PHE 80 HZ PHE 80 14.887 -7.118 11.792 679 H SER 81 H SER 81 9.540 -2.962 15.938 680 HA SER 81 HA SER 81 7.755 -4.022 17.961 681 HB2 SER 81 1HB SER 81 9.322 -2.144 18.404 682 HB3 SER 81 2HB SER 81 8.423 -1.132 17.256 683 HG SER 81 HG SER 81 7.451 -2.257 19.679 684 H TYR 82 H TYR 82 7.417 -1.844 15.144 685 HA TYR 82 HA TYR 82 4.577 -1.533 15.327 686 HB2 TYR 82 1HB TYR 82 6.694 -1.157 13.248 687 HB3 TYR 82 2HB TYR 82 5.034 -1.355 12.670 688 HD1 TYR 82 HD2 TYR 82 7.309 0.845 14.633 689 HD2 TYR 82 HD1 TYR 82 3.313 0.275 13.134 690 HE1 TYR 82 HE2 TYR 82 6.772 3.219 15.160 691 HE2 TYR 82 HE1 TYR 82 2.788 2.671 13.661 692 HH TYR 82 HH TYR 82 5.191 4.885 15.068 693 H TRP 83 H TRP 83 6.665 -3.889 13.596 694 HA TRP 83 HA TRP 83 4.603 -5.269 12.276 695 HB2 TRP 83 1HB TRP 83 6.998 -5.645 11.848 696 HB3 TRP 83 2HB TRP 83 7.204 -6.290 13.472 697 HD1 TRP 83 HD1 TRP 83 5.582 -7.278 10.129 698 HE1 TRP 83 HE1 TRP 83 5.128 -9.785 10.097 699 HE3 TRP 83 HE3 TRP 83 6.955 -8.292 14.945 700 HZ2 TRP 83 HZ2 TRP 83 5.282 -11.923 11.951 701 HZ3 TRP 83 HZ3 TRP 83 6.797 -10.645 15.767 702 HH2 TRP 83 HH2 TRP 83 5.955 -12.451 14.263 703 H ASN 84 H ASN 84 5.844 -5.655 15.583 704 HA ASN 84 HA ASN 84 4.370 -8.036 16.202 705 HB2 ASN 84 1HB ASN 84 5.899 -5.980 17.721 706 HB3 ASN 84 2HB ASN 84 4.684 -6.886 18.631 707 HD21 ASN 84 2HD2 ASN 84 7.804 -6.950 17.235 708 HD22 ASN 84 1HD2 ASN 84 8.185 -8.608 17.653 709 H LEU 85 H LEU 85 3.589 -4.584 16.366 710 HA LEU 85 HA LEU 85 1.216 -4.858 17.935 711 HB2 LEU 85 1HB LEU 85 2.453 -2.746 17.450 712 HB3 LEU 85 2HB LEU 85 1.868 -2.793 15.798 713 HG LEU 85 HG LEU 85 -0.079 -2.702 18.098 714 HD11 LEU 85 1HD1 LEU 85 1.547 -0.902 18.487 715 HD12 LEU 85 2HD1 LEU 85 -0.003 -0.227 17.946 716 HD13 LEU 85 3HD1 LEU 85 1.360 -0.342 16.807 717 HD21 LEU 85 3HD2 LEU 85 -0.163 -1.716 15.207 718 HD22 LEU 85 1HD2 LEU 85 -1.434 -1.412 16.413 719 HD23 LEU 85 2HD2 LEU 85 -1.085 -3.069 15.902 720 H ILE 86 H ILE 86 1.715 -4.861 14.333 721 HA ILE 86 HA ILE 86 -1.114 -5.306 13.884 722 HB ILE 86 HB ILE 86 1.264 -5.816 12.028 723 HG12 ILE 86 1HG1 ILE 86 -0.014 -3.837 10.827 724 HG13 ILE 86 2HG1 ILE 86 -0.680 -3.523 12.429 725 HG21 ILE 86 1HG2 ILE 86 -0.546 -7.248 11.315 726 HG22 ILE 86 2HG2 ILE 86 -1.746 -5.958 11.552 727 HG23 ILE 86 3HG2 ILE 86 -0.539 -5.846 10.234 728 HD11 ILE 86 3HD1 ILE 86 2.305 -3.715 11.948 729 HD12 ILE 86 1HD1 ILE 86 1.400 -2.209 11.701 730 HD13 ILE 86 2HD1 ILE 86 1.438 -2.955 13.304 731 H LYS 87 H LYS 87 1.671 -7.404 14.515 732 HA LYS 87 HA LYS 87 0.474 -9.847 13.686 733 HB2 LYS 87 1HB LYS 87 2.569 -10.438 14.201 734 HB3 LYS 87 2HB LYS 87 2.791 -9.014 15.203 735 HG2 LYS 87 1HG LYS 87 1.742 -10.204 17.120 736 HG3 LYS 87 2HG LYS 87 1.610 -11.663 16.115 737 HD2 LYS 87 1HD LYS 87 4.015 -11.778 15.910 738 HD3 LYS 87 2HD LYS 87 4.190 -10.195 16.685 739 HE2 LYS 87 1HE LYS 87 3.106 -11.145 18.745 740 HE3 LYS 87 2HE LYS 87 3.178 -12.749 17.981 741 HZ1 LYS 87 3HZ LYS 87 5.591 -12.495 17.861 742 HZ2 LYS 87 1HZ LYS 87 5.090 -12.323 19.423 743 HZ3 LYS 87 2HZ LYS 87 5.509 -10.991 18.540 744 H GLU 88 H GLU 88 0.183 -8.098 16.849 745 HA GLU 88 HA GLU 88 -1.437 -10.275 17.896 746 HB2 GLU 88 1HB GLU 88 -1.899 -8.853 19.796 747 HB3 GLU 88 2HB GLU 88 -0.174 -8.862 19.430 748 HG2 GLU 88 1HG GLU 88 -0.113 -6.650 19.001 749 HG3 GLU 88 2HG GLU 88 -1.676 -6.662 18.183 750 H LEU 89 H LEU 89 -2.101 -7.351 16.041 751 HA LEU 89 HA LEU 89 -4.905 -7.270 16.570 752 HB2 LEU 89 1HB LEU 89 -3.367 -6.416 14.113 753 HB3 LEU 89 2HB LEU 89 -5.070 -6.109 14.370 754 HG LEU 89 HG LEU 89 -2.783 -4.928 15.941 755 HD11 LEU 89 1HD1 LEU 89 -4.823 -3.711 14.049 756 HD12 LEU 89 2HD1 LEU 89 -3.111 -4.021 13.679 757 HD13 LEU 89 3HD1 LEU 89 -3.547 -2.826 14.917 758 HD21 LEU 89 3HD2 LEU 89 -4.620 -5.230 17.500 759 HD22 LEU 89 1HD2 LEU 89 -5.756 -4.504 16.338 760 HD23 LEU 89 2HD2 LEU 89 -4.471 -3.520 17.067 761 H ILE 90 H ILE 90 -2.984 -8.936 14.043 762 HA ILE 90 HA ILE 90 -5.351 -10.112 12.842 763 HB ILE 90 HB ILE 90 -2.431 -11.007 12.610 764 HG12 ILE 90 1HG1 ILE 90 -4.056 -9.320 10.663 765 HG13 ILE 90 2HG1 ILE 90 -2.980 -8.616 11.868 766 HG21 ILE 90 1HG2 ILE 90 -4.892 -11.636 10.879 767 HG22 ILE 90 2HG2 ILE 90 -3.226 -12.112 10.488 768 HG23 ILE 90 3HG2 ILE 90 -4.024 -12.790 11.916 769 HD11 ILE 90 3HD1 ILE 90 -1.055 -9.863 10.859 770 HD12 ILE 90 1HD1 ILE 90 -2.146 -10.446 9.577 771 HD13 ILE 90 2HD1 ILE 90 -1.816 -8.711 9.741 772 H ASP 91 H ASP 91 -2.913 -11.224 15.222 773 HA ASP 91 HA ASP 91 -3.781 -13.935 15.358 774 HB2 ASP 91 1HB ASP 91 -1.660 -12.891 16.290 775 HB3 ASP 91 2HB ASP 91 -2.634 -12.300 17.646 776 H LYS 92 H LYS 92 -5.059 -10.985 16.821 777 HA LYS 92 HA LYS 92 -7.177 -12.659 18.125 778 HB2 LYS 92 1HB LYS 92 -6.193 -9.875 18.855 779 HB3 LYS 92 2HB LYS 92 -7.523 -10.725 19.649 780 HG2 LYS 92 1HG LYS 92 -4.638 -11.674 19.610 781 HG3 LYS 92 2HG LYS 92 -5.427 -10.819 20.947 782 HD2 LYS 92 1HD LYS 92 -7.116 -12.664 21.095 783 HD3 LYS 92 2HD LYS 92 -6.224 -13.548 19.842 784 HE2 LYS 92 1HE LYS 92 -5.126 -12.717 22.549 785 HE3 LYS 92 2HE LYS 92 -5.655 -14.351 22.090 786 HZ1 LYS 92 3HZ LYS 92 -3.296 -14.204 21.848 787 HZ2 LYS 92 1HZ LYS 92 -3.392 -12.847 20.919 788 HZ3 LYS 92 2HZ LYS 92 -3.925 -14.282 20.324 789 H LYS 93 H LYS 93 -7.116 -11.728 15.270 790 HA LYS 93 HA LYS 93 -8.888 -9.499 14.989 791 HB2 LYS 93 1HB LYS 93 -9.285 -10.231 12.742 792 HB3 LYS 93 2HB LYS 93 -7.580 -10.503 13.109 793 HG2 LYS 93 1HG LYS 93 -7.996 -12.907 13.400 794 HG3 LYS 93 2HG LYS 93 -9.732 -12.656 13.174 795 HD2 LYS 93 1HD LYS 93 -9.398 -11.927 10.890 796 HD3 LYS 93 2HD LYS 93 -7.635 -12.038 11.079 797 HE2 LYS 93 1HE LYS 93 -8.557 -14.011 9.902 798 HE3 LYS 93 2HE LYS 93 -7.772 -14.443 11.425 799 HZ1 LYS 93 3HZ LYS 93 -10.713 -14.177 11.076 800 HZ2 LYS 93 1HZ LYS 93 -9.957 -14.658 12.462 801 HZ3 LYS 93 2HZ LYS 93 -9.896 -15.607 11.117 802 H GLU 94 H GLU 94 -9.421 -12.781 15.899 803 HA GLU 94 HA GLU 94 -12.042 -13.232 15.082 804 HB2 GLU 94 1HB GLU 94 -10.057 -14.516 16.506 805 HB3 GLU 94 2HB GLU 94 -11.279 -14.258 17.754 806 HG2 GLU 94 1HG GLU 94 -11.854 -16.261 16.937 807 HG3 GLU 94 2HG GLU 94 -12.907 -15.160 16.038 808 H VAL 95 H VAL 95 -10.903 -11.992 18.157 809 HA VAL 95 HA VAL 95 -13.635 -11.230 18.979 810 HB VAL 95 HB VAL 95 -12.575 -10.675 21.165 811 HG11 VAL 95 1HG1 VAL 95 -13.385 -12.980 20.676 812 HG12 VAL 95 2HG1 VAL 95 -11.755 -13.426 20.124 813 HG13 VAL 95 3HG1 VAL 95 -12.029 -12.966 21.820 814 HG21 VAL 95 3HG2 VAL 95 -9.969 -11.663 19.893 815 HG22 VAL 95 1HG2 VAL 95 -10.334 -9.970 20.300 816 HG23 VAL 95 2HG2 VAL 95 -10.208 -11.183 21.587 817 H ASN 96 H ASN 96 -11.546 -9.793 16.978 818 HA ASN 96 HA ASN 96 -12.176 -7.046 18.018 819 HB2 ASN 96 1HB ASN 96 -9.661 -8.106 16.726 820 HB3 ASN 96 2HB ASN 96 -10.119 -6.408 16.584 821 HD21 ASN 96 2HD2 ASN 96 -8.611 -8.719 18.527 822 HD22 ASN 96 1HD2 ASN 96 -8.373 -7.689 19.927 823 HA PRO 97 HA PRO 97 -14.137 -7.777 13.950 824 HB2 PRO 97 1HB PRO 97 -16.306 -6.127 14.251 825 HB3 PRO 97 2HB PRO 97 -16.245 -7.795 14.906 826 HG2 PRO 97 1HG PRO 97 -15.639 -5.200 16.321 827 HG3 PRO 97 2HG PRO 97 -16.743 -6.524 16.821 828 HD2 PRO 97 1HD PRO 97 -14.248 -6.376 17.801 829 HD3 PRO 97 2HD PRO 97 -14.954 -7.967 17.346 830 H GLN 98 H GLN 98 -13.264 -4.749 15.574 831 HA GLN 98 HA GLN 98 -13.520 -3.079 13.244 832 HB2 GLN 98 1HB GLN 98 -12.454 -1.399 14.453 833 HB3 GLN 98 2HB GLN 98 -13.323 -2.307 15.683 834 HG2 GLN 98 1HG GLN 98 -10.337 -2.659 15.132 835 HG3 GLN 98 2HG GLN 98 -10.978 -1.475 16.263 836 HE21 GLN 98 2HE2 GLN 98 -9.514 -2.701 17.718 837 HE22 GLN 98 1HE2 GLN 98 -10.168 -4.117 18.526 838 H VAL 99 H VAL 99 -11.146 -5.364 14.389 839 HA VAL 99 HA VAL 99 -9.115 -4.514 12.431 840 HB VAL 99 HB VAL 99 -9.292 -6.888 14.343 841 HG11 VAL 99 1HG1 VAL 99 -6.898 -7.270 13.722 842 HG12 VAL 99 2HG1 VAL 99 -8.061 -7.654 12.449 843 HG13 VAL 99 3HG1 VAL 99 -7.116 -6.141 12.371 844 HG21 VAL 99 3HG2 VAL 99 -8.898 -4.713 15.426 845 HG22 VAL 99 1HG2 VAL 99 -7.474 -5.760 15.533 846 HG23 VAL 99 2HG2 VAL 99 -7.508 -4.426 14.354 847 H MET 100 H MET 100 -11.309 -7.308 13.014 848 HA MET 100 HA MET 100 -10.408 -8.851 10.851 849 HB2 MET 100 1HB MET 100 -11.772 -9.712 12.612 850 HB3 MET 100 2HB MET 100 -13.099 -8.650 12.190 851 HG2 MET 100 1HG MET 100 -12.097 -10.633 10.165 852 HG3 MET 100 2HG MET 100 -13.107 -11.197 11.507 853 HE1 MET 100 3HE MET 100 -13.155 -10.132 7.955 854 HE2 MET 100 1HE MET 100 -14.006 -11.610 8.470 855 HE3 MET 100 2HE MET 100 -14.915 -10.270 7.732 856 H ALA 101 H ALA 101 -12.966 -6.316 10.821 857 HA ALA 101 HA ALA 101 -13.711 -6.797 8.100 858 HB1 ALA 101 3HB ALA 101 -15.078 -5.447 9.633 859 HB2 ALA 101 1HB ALA 101 -13.786 -4.230 9.740 860 HB3 ALA 101 2HB ALA 101 -14.634 -4.493 8.198 861 H ALA 102 H ALA 102 -11.069 -4.956 9.580 862 HA ALA 102 HA ALA 102 -10.323 -3.582 7.150 863 HB1 ALA 102 3HB ALA 102 -9.889 -2.723 9.472 864 HB2 ALA 102 1HB ALA 102 -8.704 -4.027 9.692 865 HB3 ALA 102 2HB ALA 102 -8.440 -2.783 8.456 866 H VAL 103 H VAL 103 -9.556 -6.686 8.654 867 HA VAL 103 HA VAL 103 -7.158 -7.273 7.175 868 HB VAL 103 HB VAL 103 -9.352 -9.183 8.184 869 HG11 VAL 103 1HG1 VAL 103 -6.531 -9.813 7.241 870 HG12 VAL 103 2HG1 VAL 103 -7.619 -10.966 8.046 871 HG13 VAL 103 3HG1 VAL 103 -8.044 -10.305 6.453 872 HG21 VAL 103 3HG2 VAL 103 -8.124 -7.803 9.928 873 HG22 VAL 103 1HG2 VAL 103 -8.019 -9.557 10.125 874 HG23 VAL 103 2HG2 VAL 103 -6.648 -8.656 9.450 875 H ALA 104 H ALA 104 -10.633 -7.923 6.580 876 HA ALA 104 HA ALA 104 -10.238 -9.122 4.021 877 HB1 ALA 104 3HB ALA 104 -12.675 -7.667 5.154 878 HB2 ALA 104 1HB ALA 104 -12.671 -8.727 3.725 879 HB3 ALA 104 2HB ALA 104 -12.311 -9.402 5.331 880 H GLN 105 H GLN 105 -10.944 -5.737 4.989 881 HA GLN 105 HA GLN 105 -11.240 -4.703 2.364 882 HB2 GLN 105 1HB GLN 105 -10.311 -3.522 4.989 883 HB3 GLN 105 2HB GLN 105 -10.402 -2.544 3.513 884 HG2 GLN 105 1HG GLN 105 -12.781 -2.950 3.324 885 HG3 GLN 105 2HG GLN 105 -12.745 -4.046 4.708 886 HE21 GLN 105 2HE2 GLN 105 -14.266 -1.575 4.338 887 HE22 GLN 105 1HE2 GLN 105 -13.774 -0.500 5.632 888 H THR 106 H THR 106 -8.296 -5.213 4.356 889 HA THR 106 HA THR 106 -6.627 -3.808 2.477 890 HB THR 106 HB THR 106 -5.746 -5.962 4.427 891 HG1 THR 106 HG1 THR 106 -6.908 -4.384 5.540 892 HG21 THR 106 1HG2 THR 106 -4.333 -3.504 3.327 893 HG22 THR 106 2HG2 THR 106 -4.049 -5.163 2.757 894 HG23 THR 106 3HG2 THR 106 -3.645 -4.711 4.424 895 H GLU 107 H GLU 107 -7.599 -7.266 2.859 896 HA GLU 107 HA GLU 107 -5.907 -8.256 0.774 897 HB2 GLU 107 1HB GLU 107 -8.649 -9.199 1.691 898 HB3 GLU 107 2HB GLU 107 -7.676 -10.005 0.463 899 HG2 GLU 107 1HG GLU 107 -5.828 -10.104 2.261 900 HG3 GLU 107 2HG GLU 107 -7.119 -9.749 3.413 901 H GLU 108 H GLU 108 -9.207 -6.804 0.638 902 HA GLU 108 HA GLU 108 -9.670 -7.296 -2.132 903 HB2 GLU 108 1HB GLU 108 -10.506 -4.960 -0.372 904 HB3 GLU 108 2HB GLU 108 -11.102 -5.211 -2.009 905 HG2 GLU 108 1HG GLU 108 -12.147 -7.311 -1.347 906 HG3 GLU 108 2HG GLU 108 -11.513 -7.132 0.292 907 H ILE 109 H ILE 109 -8.136 -4.535 -0.481 908 HA ILE 109 HA ILE 109 -7.713 -3.004 -2.867 909 HB ILE 109 HB ILE 109 -6.343 -2.909 -0.134 910 HG12 ILE 109 1HG1 ILE 109 -8.410 -0.995 -1.251 911 HG13 ILE 109 2HG1 ILE 109 -8.910 -2.482 -0.469 912 HG21 ILE 109 1HG2 ILE 109 -6.236 -0.907 -2.458 913 HG22 ILE 109 2HG2 ILE 109 -5.697 -0.543 -0.802 914 HG23 ILE 109 3HG2 ILE 109 -4.868 -1.791 -1.748 915 HD11 ILE 109 3HD1 ILE 109 -7.364 -0.214 0.824 916 HD12 ILE 109 1HD1 ILE 109 -9.035 -0.721 1.152 917 HD13 ILE 109 2HD1 ILE 109 -7.688 -1.783 1.605 918 H LEU 110 H LEU 110 -5.692 -5.396 -1.150 919 HA LEU 110 HA LEU 110 -3.359 -4.904 -2.801 920 HB2 LEU 110 1HB LEU 110 -4.232 -6.917 -0.780 921 HB3 LEU 110 2HB LEU 110 -2.954 -7.397 -1.891 922 HG LEU 110 HG LEU 110 -1.466 -5.741 -1.110 923 HD11 LEU 110 1HD1 LEU 110 -3.773 -4.493 0.425 924 HD12 LEU 110 2HD1 LEU 110 -2.839 -3.763 -0.895 925 HD13 LEU 110 3HD1 LEU 110 -2.075 -4.075 0.664 926 HD21 LEU 110 3HD2 LEU 110 -3.000 -6.861 1.260 927 HD22 LEU 110 1HD2 LEU 110 -1.315 -6.294 1.286 928 HD23 LEU 110 2HD2 LEU 110 -1.756 -7.721 0.329 929 H LYS 111 H LYS 111 -6.050 -7.271 -2.945 930 HA LYS 111 HA LYS 111 -4.949 -8.735 -5.172 931 HB2 LYS 111 1HB LYS 111 -7.727 -8.413 -4.074 932 HB3 LYS 111 2HB LYS 111 -7.358 -9.451 -5.467 933 HG2 LYS 111 1HG LYS 111 -5.914 -10.850 -4.170 934 HG3 LYS 111 2HG LYS 111 -5.906 -9.703 -2.817 935 HD2 LYS 111 1HD LYS 111 -8.309 -10.040 -2.537 936 HD3 LYS 111 2HD LYS 111 -8.267 -11.281 -3.806 937 HE2 LYS 111 1HE LYS 111 -6.757 -12.658 -2.480 938 HE3 LYS 111 2HE LYS 111 -6.547 -11.352 -1.309 939 HZ1 LYS 111 3HZ LYS 111 -8.892 -11.573 -0.732 940 HZ2 LYS 111 1HZ LYS 111 -8.038 -12.930 -0.405 941 HZ3 LYS 111 2HZ LYS 111 -9.029 -12.882 -1.731 942 H SER 112 H SER 112 -7.119 -5.924 -4.902 943 HA SER 112 HA SER 112 -7.655 -5.683 -7.718 944 HB2 SER 112 1HB SER 112 -8.943 -4.613 -5.854 945 HB3 SER 112 2HB SER 112 -7.588 -3.506 -5.595 946 HG SER 112 HG SER 112 -7.926 -3.165 -8.037 947 H ASN 113 H ASN 113 -4.893 -4.897 -5.795 948 HA ASN 113 HA ASN 113 -3.915 -2.651 -7.239 949 HB2 ASN 113 1HB ASN 113 -3.161 -4.021 -5.003 950 HB3 ASN 113 2HB ASN 113 -1.880 -4.489 -6.127 951 HD21 ASN 113 2HD2 ASN 113 -3.310 -1.997 -4.245 952 HD22 ASN 113 1HD2 ASN 113 -2.122 -0.745 -4.579 953 H SER 114 H SER 114 -3.839 -6.055 -8.001 954 HA SER 114 HA SER 114 -2.995 -7.236 -9.730 955 HB2 SER 114 1HB SER 114 -3.532 -4.684 -11.266 956 HB3 SER 114 2HB SER 114 -3.631 -6.362 -11.831 957 HG SER 114 HG SER 114 -5.302 -5.042 -9.960 958 H GLN 115 H GLN 115 -0.748 -6.444 -8.420 959 HA GLN 115 HA GLN 115 1.104 -5.234 -10.379 960 HB2 GLN 115 1HB GLN 115 2.750 -5.378 -8.609 961 HB3 GLN 115 2HB GLN 115 1.265 -4.671 -7.968 962 HG2 GLN 115 1HG GLN 115 0.683 -6.749 -6.854 963 HG3 GLN 115 2HG GLN 115 2.021 -7.597 -7.643 964 HE21 GLN 115 2HE2 GLN 115 3.764 -7.885 -6.480 965 HE22 GLN 115 1HE2 GLN 115 4.260 -6.900 -5.126 966 H THR 116 H THR 116 -0.264 -8.158 -10.155 967 HA THR 116 HA THR 116 1.845 -10.035 -10.026 968 HB THR 116 HB THR 116 -0.439 -10.787 -11.723 969 HG1 THR 116 HG1 THR 116 -1.986 -10.401 -10.090 970 HG21 THR 116 1HG2 THR 116 0.376 -11.627 -8.910 971 HG22 THR 116 2HG2 THR 116 0.971 -12.379 -10.417 972 HG23 THR 116 3HG2 THR 116 -0.749 -12.480 -9.988 973 H ASP 117 H ASP 117 3.061 -11.033 -11.490 974 HA ASP 117 HA ASP 117 4.317 -11.336 -13.344 975 HB2 ASP 117 1HB ASP 117 1.608 -11.128 -14.699 976 HB3 ASP 117 2HB ASP 117 3.059 -11.890 -15.369 977 H LEU 118 H LEU 118 3.778 -10.374 -16.047 978 HA LEU 118 HA LEU 118 4.378 -8.659 -17.390 979 HB2 LEU 118 1HB LEU 118 2.945 -6.887 -15.403 980 HB3 LEU 118 2HB LEU 118 3.090 -6.691 -17.146 981 HG LEU 118 HG LEU 118 1.483 -8.877 -15.777 982 HD11 LEU 118 1HD1 LEU 118 0.594 -6.251 -17.045 983 HD12 LEU 118 2HD1 LEU 118 0.576 -6.653 -15.307 984 HD13 LEU 118 3HD1 LEU 118 -0.476 -7.535 -16.429 985 HD21 LEU 118 3HD2 LEU 118 0.455 -9.162 -18.021 986 HD22 LEU 118 1HD2 LEU 118 2.192 -9.509 -18.057 987 HD23 LEU 118 2HD2 LEU 118 1.584 -7.963 -18.696 988 H GLU 119 H GLU 119 4.506 -5.809 -16.119 989 HA GLU 119 HA GLU 119 7.194 -5.898 -14.865 990 HB2 GLU 119 1HB GLU 119 7.063 -5.516 -17.551 991 HB3 GLU 119 2HB GLU 119 6.675 -3.877 -17.039 992 HG2 GLU 119 1HG GLU 119 9.187 -5.405 -16.217 993 HG3 GLU 119 2HG GLU 119 9.109 -4.260 -17.565 994 H HIS 120 H HIS 120 7.552 -3.387 -14.235 995 HA HIS 120 HA HIS 120 6.836 -1.497 -13.207 996 HB2 HIS 120 1HB HIS 120 5.301 -1.751 -15.477 997 HB3 HIS 120 2HB HIS 120 4.070 -1.501 -14.241 998 HD1 HIS 120 HD1 HIS 120 7.236 0.119 -15.675 999 HD2 HIS 120 HD2 HIS 120 3.852 1.140 -13.412 1000 HE1 HIS 120 HE1 HIS 120 7.195 2.674 -15.483 1001 H HIS 121 H HIS 121 6.547 -3.968 -11.870 1002 HA HIS 121 HA HIS 121 4.119 -4.272 -10.460 1003 HB2 HIS 121 1HB HIS 121 6.751 -4.905 -9.158 1004 HB3 HIS 121 2HB HIS 121 5.248 -5.831 -9.155 1005 HD1 HIS 121 HD1 HIS 121 4.661 -7.148 -11.502 1006 HD2 HIS 121 HD2 HIS 121 8.582 -5.669 -11.078 1007 HE1 HIS 121 HE1 HIS 121 6.112 -8.317 -13.242 1008 H HIS 122 H HIS 122 5.896 -1.488 -10.222 1009 HA HIS 122 HA HIS 122 4.693 -0.889 -7.614 1010 HB2 HIS 122 1HB HIS 122 6.774 0.119 -6.703 1011 HB3 HIS 122 2HB HIS 122 6.890 -1.635 -6.872 1012 HD1 HIS 122 HD1 HIS 122 9.064 -2.422 -7.811 1013 HD2 HIS 122 HD2 HIS 122 8.072 1.422 -9.170 1014 HE1 HIS 122 HE1 HIS 122 10.986 -1.636 -9.294 1015 H HIS 123 H HIS 123 4.411 1.354 -7.350 1016 HA HIS 123 HA HIS 123 3.716 3.400 -8.073 1017 HB2 HIS 123 1HB HIS 123 6.014 4.025 -8.447 1018 HB3 HIS 123 2HB HIS 123 6.056 3.163 -9.988 1019 HD1 HIS 123 HD1 HIS 123 5.156 6.485 -8.511 1020 HD2 HIS 123 HD2 HIS 123 4.528 4.397 -12.089 1021 HE1 HIS 123 HE1 HIS 123 4.315 8.175 -10.231 1022 H HIS 124 H HIS 124 1.694 3.248 -8.823 1023 HA HIS 124 HA HIS 124 0.985 1.830 -11.226 1024 HB2 HIS 124 1HB HIS 124 -0.478 4.020 -9.681 1025 HB3 HIS 124 2HB HIS 124 -1.193 3.072 -10.991 1026 HD1 HIS 124 HD1 HIS 124 -2.313 3.084 -7.991 1027 HD2 HIS 124 HD2 HIS 124 0.189 0.157 -9.665 1028 HE1 HIS 124 HE1 HIS 124 -2.620 0.968 -6.618 1029 H HIS 125 H HIS 125 0.986 2.480 -13.285 1030 HA HIS 125 HA HIS 125 1.590 3.671 -15.129 1031 HB2 HIS 125 1HB HIS 125 -0.687 4.578 -14.469 1032 HB3 HIS 125 2HB HIS 125 0.151 5.983 -13.801 1033 HD1 HIS 125 HD1 HIS 125 1.823 7.232 -15.653 1034 HD2 HIS 125 HD2 HIS 125 -1.313 4.868 -17.125 1035 HE1 HIS 125 HE1 HIS 125 1.423 7.943 -18.087 Start of MODEL 3 1 H21 MYR 1 1H2 MYR 1 -0.122 0.071 -1.127 2 H22 MYR 1 2H2 MYR 1 1.488 0.084 -0.442 3 H31 MYR 1 1H3 MYR 1 -0.643 -1.998 0.333 4 H32 MYR 1 2H3 MYR 1 0.458 -2.228 -1.021 5 H41 MYR 1 1H4 MYR 1 2.419 -1.923 0.594 6 H42 MYR 1 2H4 MYR 1 1.280 -1.894 1.925 7 H51 MYR 1 1H5 MYR 1 1.402 -4.251 -0.048 8 H52 MYR 1 2H5 MYR 1 2.494 -4.163 1.318 9 H61 MYR 1 1H6 MYR 1 -0.561 -4.052 1.672 10 H62 MYR 1 2H6 MYR 1 0.339 -5.563 1.625 11 H71 MYR 1 1H7 MYR 1 1.697 -4.873 3.586 12 H72 MYR 1 2H7 MYR 1 0.858 -3.323 3.659 13 H81 MYR 1 1H8 MYR 1 -1.314 -4.553 4.064 14 H82 MYR 1 2H8 MYR 1 -0.426 -6.073 4.065 15 H91 MYR 1 1H9 MYR 1 -0.086 -3.763 6.051 16 H92 MYR 1 2H9 MYR 1 1.022 -5.109 5.973 17 H101 MYR 1 1H10 MYR 1 -0.551 -5.480 7.790 18 H102 MYR 1 2H10 MYR 1 -0.792 -6.716 6.566 19 H111 MYR 1 1H11 MYR 1 -2.536 -4.207 6.523 20 H112 MYR 1 2H11 MYR 1 -2.867 -5.787 5.840 21 H121 MYR 1 1H12 MYR 1 -3.052 -6.734 8.193 22 H122 MYR 1 2H12 MYR 1 -2.789 -5.105 8.827 23 H131 MYR 1 1H13 MYR 1 -4.861 -4.362 7.445 24 H132 MYR 1 2H13 MYR 1 -5.157 -6.068 7.118 25 H141 MYR 1 1H14 MYR 1 -6.517 -5.328 9.045 26 H142 MYR 1 2H14 MYR 1 -5.303 -6.486 9.617 27 H143 MYR 1 3H14 MYR 1 -5.074 -4.748 9.893 28 H GLY 2 H GLY 2 1.751 0.463 1.810 29 HA2 GLY 2 1HA GLY 2 -0.321 1.087 3.658 30 HA3 GLY 2 2HA GLY 2 1.377 1.583 3.788 31 H GLN 3 H GLN 3 1.501 3.100 1.336 32 HA GLN 3 HA GLN 3 0.531 5.591 2.398 33 HB2 GLN 3 1HB GLN 3 1.531 4.856 -0.378 34 HB3 GLN 3 2HB GLN 3 1.184 6.506 0.158 35 HG2 GLN 3 1HG GLN 3 2.882 6.251 1.958 36 HG3 GLN 3 2HG GLN 3 3.277 4.652 1.324 37 HE21 GLN 3 2HE2 GLN 3 4.988 4.576 0.014 38 HE22 GLN 3 1HE2 GLN 3 5.545 5.917 -0.971 39 H GLU 4 H GLU 4 -0.693 3.440 -0.217 40 HA GLU 4 HA GLU 4 -2.828 5.315 -0.818 41 HB2 GLU 4 1HB GLU 4 -3.637 3.719 -2.372 42 HB3 GLU 4 2HB GLU 4 -1.874 3.772 -2.503 43 HG2 GLU 4 1HG GLU 4 -1.662 1.689 -1.343 44 HG3 GLU 4 2HG GLU 4 -3.397 1.643 -0.986 45 H LEU 5 H LEU 5 -2.423 2.638 1.461 46 HA LEU 5 HA LEU 5 -5.171 2.143 1.936 47 HB2 LEU 5 1HB LEU 5 -2.588 1.559 3.141 48 HB3 LEU 5 2HB LEU 5 -3.812 1.881 4.368 49 HG LEU 5 HG LEU 5 -5.239 0.187 3.446 50 HD11 LEU 5 1HD1 LEU 5 -4.792 0.243 1.134 51 HD12 LEU 5 2HD1 LEU 5 -4.570 -1.391 1.767 52 HD13 LEU 5 3HD1 LEU 5 -3.148 -0.386 1.402 53 HD21 LEU 5 3HD2 LEU 5 -2.473 -1.009 3.701 54 HD22 LEU 5 1HD2 LEU 5 -4.033 -1.725 4.185 55 HD23 LEU 5 2HD2 LEU 5 -3.374 -0.352 5.086 56 H SER 6 H SER 6 -2.961 4.632 3.284 57 HA SER 6 HA SER 6 -4.928 5.798 5.003 58 HB2 SER 6 1HB SER 6 -3.212 7.841 4.065 59 HB3 SER 6 2HB SER 6 -3.086 6.920 5.578 60 HG SER 6 HG SER 6 -1.893 6.344 3.056 61 H GLN 7 H GLN 7 -4.883 5.688 1.602 62 HA GLN 7 HA GLN 7 -6.469 8.215 1.370 63 HB2 GLN 7 1HB GLN 7 -4.362 7.826 -0.016 64 HB3 GLN 7 2HB GLN 7 -5.237 6.534 -0.838 65 HG2 GLN 7 1HG GLN 7 -6.907 8.161 -1.627 66 HG3 GLN 7 2HG GLN 7 -6.048 9.457 -0.776 67 HE21 GLN 7 2HE2 GLN 7 -5.770 7.034 -3.348 68 HE22 GLN 7 1HE2 GLN 7 -4.536 7.883 -4.247 69 H HIS 8 H HIS 8 -6.634 4.776 1.423 70 HA HIS 8 HA HIS 8 -9.176 4.589 -0.085 71 HB2 HIS 8 1HB HIS 8 -7.517 2.646 1.580 72 HB3 HIS 8 2HB HIS 8 -9.143 2.247 1.034 73 HD1 HIS 8 HD1 HIS 8 -9.524 2.130 -1.657 74 HD2 HIS 8 HD2 HIS 8 -5.553 2.205 -0.330 75 HE1 HIS 8 HE1 HIS 8 -8.069 1.346 -3.601 76 H GLU 9 H GLU 9 -10.390 6.174 1.089 77 HA GLU 9 HA GLU 9 -10.405 6.487 3.828 78 HB2 GLU 9 1HB GLU 9 -12.648 6.946 1.860 79 HB3 GLU 9 2HB GLU 9 -12.665 7.502 3.544 80 HG2 GLU 9 1HG GLU 9 -10.504 8.702 3.090 81 HG3 GLU 9 2HG GLU 9 -10.715 8.315 1.373 82 H ARG 10 H ARG 10 -12.383 4.062 2.091 83 HA ARG 10 HA ARG 10 -13.998 3.366 4.343 84 HB2 ARG 10 1HB ARG 10 -12.995 1.680 2.024 85 HB3 ARG 10 2HB ARG 10 -14.167 1.124 3.225 86 HG2 ARG 10 1HG ARG 10 -15.701 2.940 2.569 87 HG3 ARG 10 2HG ARG 10 -14.548 3.438 1.309 88 HD2 ARG 10 1HD ARG 10 -14.683 1.178 0.308 89 HD3 ARG 10 2HD ARG 10 -15.849 0.700 1.556 90 HE ARG 10 HE ARG 10 -16.874 3.005 0.311 91 HH11 ARG 10 1HH1 ARG 10 -16.181 -0.344 -0.588 92 HH12 ARG 10 2HH1 ARG 10 -17.430 -0.374 -1.803 93 HH21 ARG 10 1HH2 ARG 10 -18.455 2.887 -1.251 94 HH22 ARG 10 2HH2 ARG 10 -18.694 1.424 -2.168 95 H TYR 11 H TYR 11 -10.674 2.292 3.430 96 HA TYR 11 HA TYR 11 -10.589 0.360 5.588 97 HB2 TYR 11 1HB TYR 11 -9.227 0.096 3.589 98 HB3 TYR 11 2HB TYR 11 -8.443 1.657 3.881 99 HD1 TYR 11 HD2 TYR 11 -8.973 -1.726 5.433 100 HD2 TYR 11 HD1 TYR 11 -6.515 1.802 5.195 101 HE1 TYR 11 HE2 TYR 11 -7.246 -2.799 6.888 102 HE2 TYR 11 HE1 TYR 11 -4.807 0.699 6.603 103 HH TYR 11 HH TYR 11 -4.205 -1.161 7.742 104 H VAL 12 H VAL 12 -9.644 3.746 5.049 105 HA VAL 12 HA VAL 12 -8.231 4.171 7.484 106 HB VAL 12 HB VAL 12 -9.952 6.116 5.873 107 HG11 VAL 12 1HG1 VAL 12 -9.680 6.983 8.151 108 HG12 VAL 12 2HG1 VAL 12 -7.927 6.712 8.064 109 HG13 VAL 12 3HG1 VAL 12 -8.695 7.922 7.013 110 HG21 VAL 12 3HG2 VAL 12 -7.827 6.903 4.964 111 HG22 VAL 12 1HG2 VAL 12 -6.947 5.710 5.948 112 HG23 VAL 12 2HG2 VAL 12 -8.022 5.175 4.645 113 H GLU 13 H GLU 13 -11.753 4.278 6.725 114 HA GLU 13 HA GLU 13 -12.597 5.269 9.243 115 HB2 GLU 13 1HB GLU 13 -13.904 3.489 7.197 116 HB3 GLU 13 2HB GLU 13 -14.733 3.963 8.685 117 HG2 GLU 13 1HG GLU 13 -14.532 6.308 8.124 118 HG3 GLU 13 2HG GLU 13 -13.578 5.929 6.690 119 H GLN 14 H GLN 14 -12.105 1.853 8.229 120 HA GLN 14 HA GLN 14 -12.839 0.783 10.790 121 HB2 GLN 14 1HB GLN 14 -10.886 -0.300 8.720 122 HB3 GLN 14 2HB GLN 14 -11.508 -1.196 10.109 123 HG2 GLN 14 1HG GLN 14 -13.100 -0.164 7.744 124 HG3 GLN 14 2HG GLN 14 -12.738 -1.851 8.140 125 HE21 GLN 14 2HE2 GLN 14 -13.396 -2.284 10.644 126 HE22 GLN 14 1HE2 GLN 14 -15.033 -1.781 11.001 127 H LEU 15 H LEU 15 -9.744 1.975 9.443 128 HA LEU 15 HA LEU 15 -8.233 1.247 11.775 129 HB2 LEU 15 1HB LEU 15 -7.746 3.180 9.525 130 HB3 LEU 15 2HB LEU 15 -6.670 3.079 10.896 131 HG LEU 15 HG LEU 15 -7.126 1.007 8.766 132 HD11 LEU 15 1HD1 LEU 15 -4.768 2.623 9.839 133 HD12 LEU 15 2HD1 LEU 15 -5.560 2.781 8.250 134 HD13 LEU 15 3HD1 LEU 15 -4.615 1.330 8.638 135 HD21 LEU 15 3HD2 LEU 15 -5.658 0.653 11.413 136 HD22 LEU 15 1HD2 LEU 15 -5.462 -0.409 10.001 137 HD23 LEU 15 2HD2 LEU 15 -7.033 -0.303 10.806 138 H LYS 16 H LYS 16 -10.328 4.025 11.162 139 HA LYS 16 HA LYS 16 -9.156 5.845 13.050 140 HB2 LYS 16 1HB LYS 16 -12.110 5.363 12.445 141 HB3 LYS 16 2HB LYS 16 -11.495 6.708 13.397 142 HG2 LYS 16 1HG LYS 16 -10.334 7.617 11.412 143 HG3 LYS 16 2HG LYS 16 -10.904 6.244 10.464 144 HD2 LYS 16 1HD LYS 16 -13.281 6.916 11.157 145 HD3 LYS 16 2HD LYS 16 -12.574 8.457 11.670 146 HE2 LYS 16 1HE LYS 16 -12.395 7.263 8.858 147 HE3 LYS 16 2HE LYS 16 -13.560 8.492 9.355 148 HZ1 LYS 16 3HZ LYS 16 -10.626 8.848 9.301 149 HZ2 LYS 16 1HZ LYS 16 -11.722 9.998 9.750 150 HZ3 LYS 16 2HZ LYS 16 -11.693 9.448 8.196 151 H GLN 17 H GLN 17 -11.367 3.097 13.348 152 HA GLN 17 HA GLN 17 -11.478 3.371 16.264 153 HB2 GLN 17 1HB GLN 17 -12.486 1.201 14.399 154 HB3 GLN 17 2HB GLN 17 -12.838 1.303 16.127 155 HG2 GLN 17 1HG GLN 17 -13.588 3.548 14.221 156 HG3 GLN 17 2HG GLN 17 -14.615 2.132 14.438 157 HE21 GLN 17 2HE2 GLN 17 -16.328 2.966 15.449 158 HE22 GLN 17 1HE2 GLN 17 -16.273 3.778 16.995 159 H ALA 18 H ALA 18 -9.829 1.211 13.871 160 HA ALA 18 HA ALA 18 -8.947 -0.594 15.906 161 HB1 ALA 18 3HB ALA 18 -7.650 -0.103 13.203 162 HB2 ALA 18 1HB ALA 18 -7.516 -1.557 14.213 163 HB3 ALA 18 2HB ALA 18 -9.079 -1.132 13.478 164 H LEU 19 H LEU 19 -7.276 2.313 14.516 165 HA LEU 19 HA LEU 19 -4.798 1.866 15.950 166 HB2 LEU 19 1HB LEU 19 -6.093 4.166 14.542 167 HB3 LEU 19 2HB LEU 19 -5.022 4.598 15.857 168 HG LEU 19 HG LEU 19 -3.258 3.136 14.683 169 HD11 LEU 19 1HD1 LEU 19 -4.599 2.072 12.952 170 HD12 LEU 19 2HD1 LEU 19 -3.409 3.161 12.180 171 HD13 LEU 19 3HD1 LEU 19 -5.116 3.658 12.335 172 HD21 LEU 19 3HD2 LEU 19 -2.552 5.049 13.255 173 HD22 LEU 19 1HD2 LEU 19 -3.080 5.563 14.879 174 HD23 LEU 19 2HD2 LEU 19 -4.162 5.777 13.485 175 H LYS 20 H LYS 20 -7.852 3.503 16.675 176 HA LYS 20 HA LYS 20 -7.107 4.626 19.198 177 HB2 LYS 20 1HB LYS 20 -9.019 5.351 17.823 178 HB3 LYS 20 2HB LYS 20 -9.781 3.781 18.026 179 HG2 LYS 20 1HG LYS 20 -10.011 4.231 20.461 180 HG3 LYS 20 2HG LYS 20 -9.391 5.876 20.168 181 HD2 LYS 20 1HD LYS 20 -11.212 6.257 18.534 182 HD3 LYS 20 2HD LYS 20 -11.793 4.602 18.788 183 HE2 LYS 20 1HE LYS 20 -12.221 5.148 21.180 184 HE3 LYS 20 2HE LYS 20 -11.754 6.836 20.849 185 HZ1 LYS 20 3HZ LYS 20 -13.937 5.381 19.444 186 HZ2 LYS 20 1HZ LYS 20 -13.550 6.972 19.252 187 HZ3 LYS 20 2HZ LYS 20 -14.178 6.447 20.684 188 H THR 21 H THR 21 -8.764 1.521 18.420 189 HA THR 21 HA THR 21 -9.143 0.810 21.194 190 HB THR 21 HB THR 21 -9.438 -1.545 20.266 191 HG1 THR 21 HG1 THR 21 -9.324 -0.296 17.729 192 HG21 THR 21 1HG2 THR 21 -11.447 -0.971 18.853 193 HG22 THR 21 2HG2 THR 21 -11.001 0.739 19.011 194 HG23 THR 21 3HG2 THR 21 -11.417 -0.206 20.459 195 H ARG 22 H ARG 22 -6.387 0.669 19.070 196 HA ARG 22 HA ARG 22 -4.991 -1.415 20.534 197 HB2 ARG 22 1HB ARG 22 -4.596 -0.072 18.152 198 HB3 ARG 22 2HB ARG 22 -3.387 0.675 19.188 199 HG2 ARG 22 1HG ARG 22 -2.141 -1.049 18.391 200 HG3 ARG 22 2HG ARG 22 -2.845 -1.875 19.789 201 HD2 ARG 22 1HD ARG 22 -4.440 -1.975 17.266 202 HD3 ARG 22 2HD ARG 22 -2.892 -2.823 17.235 203 HE ARG 22 HE ARG 22 -3.627 -4.342 18.891 204 HH11 ARG 22 1HH1 ARG 22 -6.236 -2.060 18.068 205 HH12 ARG 22 2HH1 ARG 22 -7.447 -3.089 18.784 206 HH21 ARG 22 1HH2 ARG 22 -5.183 -5.541 19.749 207 HH22 ARG 22 2HH2 ARG 22 -6.866 -5.029 19.734 208 H GLY 23 H GLY 23 -5.620 1.971 21.036 209 HA2 GLY 23 1HA GLY 23 -5.126 3.294 22.858 210 HA3 GLY 23 2HA GLY 23 -4.357 1.899 23.635 211 H VAL 24 H VAL 24 -3.144 2.456 20.509 212 HA VAL 24 HA VAL 24 -0.612 3.370 21.732 213 HB VAL 24 HB VAL 24 -1.190 2.383 18.893 214 HG11 VAL 24 1HG1 VAL 24 1.273 2.198 18.697 215 HG12 VAL 24 2HG1 VAL 24 0.797 3.874 19.009 216 HG13 VAL 24 3HG1 VAL 24 1.467 2.885 20.326 217 HG21 VAL 24 3HG2 VAL 24 -0.037 0.306 19.630 218 HG22 VAL 24 1HG2 VAL 24 0.096 0.962 21.278 219 HG23 VAL 24 2HG2 VAL 24 -1.495 0.597 20.585 220 H LYS 25 H LYS 25 -0.027 5.417 21.681 221 HA LYS 25 HA LYS 25 -1.598 7.360 20.142 222 HB2 LYS 25 1HB LYS 25 0.853 7.686 21.921 223 HB3 LYS 25 2HB LYS 25 -0.105 9.013 21.245 224 HG2 LYS 25 1HG LYS 25 -2.074 8.242 22.525 225 HG3 LYS 25 2HG LYS 25 -1.118 6.904 23.193 226 HD2 LYS 25 1HD LYS 25 0.450 8.551 24.194 227 HD3 LYS 25 2HD LYS 25 -0.581 9.868 23.592 228 HE2 LYS 25 1HE LYS 25 -2.478 8.988 24.917 229 HE3 LYS 25 2HE LYS 25 -1.454 7.661 25.505 230 HZ1 LYS 25 3HZ LYS 25 -1.569 9.468 27.105 231 HZ2 LYS 25 1HZ LYS 25 -0.970 10.546 26.009 232 HZ3 LYS 25 2HZ LYS 25 -0.023 9.310 26.555 233 H VAL 26 H VAL 26 -1.113 6.616 18.009 234 HA VAL 26 HA VAL 26 1.560 7.533 17.058 235 HB VAL 26 HB VAL 26 1.608 5.050 17.249 236 HG11 VAL 26 1HG1 VAL 26 -0.675 5.024 15.242 237 HG12 VAL 26 2HG1 VAL 26 0.178 3.616 15.913 238 HG13 VAL 26 3HG1 VAL 26 -0.825 4.625 16.968 239 HG21 VAL 26 3HG2 VAL 26 2.879 6.179 15.436 240 HG22 VAL 26 1HG2 VAL 26 2.385 4.529 15.017 241 HG23 VAL 26 2HG2 VAL 26 1.503 5.911 14.335 242 H LYS 27 H LYS 27 1.529 8.558 15.096 243 HA LYS 27 HA LYS 27 -1.045 9.700 14.304 244 HB2 LYS 27 1HB LYS 27 1.107 10.963 14.346 245 HB3 LYS 27 2HB LYS 27 1.741 9.908 13.087 246 HG2 LYS 27 1HG LYS 27 0.194 10.784 11.458 247 HG3 LYS 27 2HG LYS 27 -0.705 11.659 12.713 248 HD2 LYS 27 1HD LYS 27 0.680 13.262 11.561 249 HD3 LYS 27 2HD LYS 27 1.355 13.021 13.181 250 HE2 LYS 27 1HE LYS 27 3.063 11.466 12.222 251 HE3 LYS 27 2HE LYS 27 2.396 11.756 10.602 252 HZ1 LYS 27 3HZ LYS 27 3.590 13.830 12.363 253 HZ2 LYS 27 1HZ LYS 27 2.977 14.102 10.856 254 HZ3 LYS 27 2HZ LYS 27 4.320 13.161 11.045 255 H PHE 28 H PHE 28 -2.166 9.249 12.347 256 HA PHE 28 HA PHE 28 -2.103 6.600 11.361 257 HB2 PHE 28 1HB PHE 28 -3.345 9.199 10.666 258 HB3 PHE 28 2HB PHE 28 -3.000 8.238 9.226 259 HD1 PHE 28 HD1 PHE 28 -4.862 8.257 12.454 260 HD2 PHE 28 HD2 PHE 28 -4.288 6.341 8.645 261 HE1 PHE 28 HE1 PHE 28 -6.965 6.963 12.788 262 HE2 PHE 28 HE2 PHE 28 -6.381 5.057 8.968 263 HZ PHE 28 HZ PHE 28 -7.730 5.379 11.027 264 H ALA 29 H ALA 29 -0.728 9.533 9.774 265 HA ALA 29 HA ALA 29 0.347 8.113 7.563 266 HB1 ALA 29 3HB ALA 29 0.028 10.558 7.580 267 HB2 ALA 29 1HB ALA 29 1.284 10.724 8.832 268 HB3 ALA 29 2HB ALA 29 1.715 10.140 7.208 269 H ASP 30 H ASP 30 1.407 8.291 10.861 270 HA ASP 30 HA ASP 30 4.157 7.520 10.202 271 HB2 ASP 30 1HB ASP 30 3.568 8.992 12.153 272 HB3 ASP 30 2HB ASP 30 2.807 7.581 12.906 273 H LEU 31 H LEU 31 1.117 5.999 11.355 274 HA LEU 31 HA LEU 31 2.431 3.480 11.833 275 HB2 LEU 31 1HB LEU 31 -0.038 4.453 12.492 276 HB3 LEU 31 2HB LEU 31 -0.431 3.323 11.171 277 HG LEU 31 HG LEU 31 1.137 2.716 13.738 278 HD11 LEU 31 1HD1 LEU 31 -0.718 1.246 14.278 279 HD12 LEU 31 2HD1 LEU 31 -1.535 1.685 12.758 280 HD13 LEU 31 3HD1 LEU 31 -1.274 2.905 14.025 281 HD21 LEU 31 3HD2 LEU 31 0.542 0.917 11.381 282 HD22 LEU 31 1HD2 LEU 31 0.991 0.305 12.990 283 HD23 LEU 31 2HD2 LEU 31 2.125 1.312 12.077 284 H LEU 32 H LEU 32 0.255 4.666 9.267 285 HA LEU 32 HA LEU 32 0.518 2.395 7.579 286 HB2 LEU 32 1HB LEU 32 -0.100 5.287 7.021 287 HB3 LEU 32 2HB LEU 32 0.105 4.153 5.707 288 HG LEU 32 HG LEU 32 -2.189 4.346 6.043 289 HD11 LEU 32 1HD1 LEU 32 -1.421 1.991 5.747 290 HD12 LEU 32 2HD1 LEU 32 -2.985 2.148 6.566 291 HD13 LEU 32 3HD1 LEU 32 -1.529 1.781 7.513 292 HD21 LEU 32 3HD2 LEU 32 -3.347 4.070 8.105 293 HD22 LEU 32 1HD2 LEU 32 -2.157 5.376 8.188 294 HD23 LEU 32 2HD2 LEU 32 -1.800 3.813 8.956 295 H LYS 33 H LYS 33 2.872 4.865 8.178 296 HA LYS 33 HA LYS 33 4.525 4.621 5.859 297 HB2 LYS 33 1HB LYS 33 5.048 6.144 7.754 298 HB3 LYS 33 2HB LYS 33 5.341 4.744 8.785 299 HG2 LYS 33 1HG LYS 33 7.184 4.070 7.160 300 HG3 LYS 33 2HG LYS 33 7.039 5.690 6.468 301 HD2 LYS 33 1HD LYS 33 7.537 5.176 9.435 302 HD3 LYS 33 2HD LYS 33 8.846 5.274 8.251 303 HE2 LYS 33 1HE LYS 33 8.770 7.425 9.135 304 HE3 LYS 33 2HE LYS 33 7.888 7.572 7.605 305 HZ1 LYS 33 3HZ LYS 33 5.827 7.389 8.899 306 HZ2 LYS 33 1HZ LYS 33 6.728 8.687 9.371 307 HZ3 LYS 33 2HZ LYS 33 6.685 7.334 10.311 308 H PHE 34 H PHE 34 4.257 2.548 8.760 309 HA PHE 34 HA PHE 34 6.328 0.741 7.840 310 HB2 PHE 34 1HB PHE 34 4.329 0.671 10.103 311 HB3 PHE 34 2HB PHE 34 5.470 -0.635 9.797 312 HD1 PHE 34 HD1 PHE 34 5.225 2.986 10.640 313 HD2 PHE 34 HD2 PHE 34 7.784 -0.461 10.416 314 HE1 PHE 34 HE1 PHE 34 6.978 4.226 11.887 315 HE2 PHE 34 HE2 PHE 34 9.559 0.777 11.656 316 HZ PHE 34 HZ PHE 34 9.156 3.128 12.391 317 H PHE 35 H PHE 35 2.865 0.972 7.372 318 HA PHE 35 HA PHE 35 2.518 -1.772 6.448 319 HB2 PHE 35 1HB PHE 35 0.935 0.783 6.063 320 HB3 PHE 35 2HB PHE 35 0.542 -0.689 5.189 321 HD1 PHE 35 HD2 PHE 35 1.475 -0.057 8.823 322 HD2 PHE 35 HD1 PHE 35 -1.359 -1.655 6.003 323 HE1 PHE 35 HE2 PHE 35 0.087 -0.926 10.690 324 HE2 PHE 35 HE1 PHE 35 -2.742 -2.500 7.883 325 HZ PHE 35 HZ PHE 35 -2.027 -2.123 10.229 326 H ASP 36 H ASP 36 3.840 1.221 5.105 327 HA ASP 36 HA ASP 36 3.815 0.096 2.383 328 HB2 ASP 36 1HB ASP 36 3.824 2.656 3.285 329 HB3 ASP 36 2HB ASP 36 5.554 2.417 2.984 330 H PHE 37 H PHE 37 5.952 0.271 5.173 331 HA PHE 37 HA PHE 37 8.390 -0.323 3.796 332 HB2 PHE 37 1HB PHE 37 8.285 0.603 6.079 333 HB3 PHE 37 2HB PHE 37 7.597 -0.914 6.666 334 HD1 PHE 37 HD2 PHE 37 10.541 -0.023 4.456 335 HD2 PHE 37 HD1 PHE 37 9.108 -2.171 7.904 336 HE1 PHE 37 HE2 PHE 37 12.823 -0.945 4.825 337 HE2 PHE 37 HE1 PHE 37 11.393 -3.096 8.280 338 HZ PHE 37 HZ PHE 37 13.254 -2.483 6.739 339 H VAL 38 H VAL 38 5.834 -2.472 5.090 340 HA VAL 38 HA VAL 38 7.369 -4.881 4.833 341 HB VAL 38 HB VAL 38 5.448 -5.273 6.066 342 HG11 VAL 38 1HG1 VAL 38 3.848 -3.739 4.032 343 HG12 VAL 38 2HG1 VAL 38 3.173 -4.580 5.440 344 HG13 VAL 38 3HG1 VAL 38 4.281 -3.232 5.683 345 HG21 VAL 38 3HG2 VAL 38 5.630 -7.021 4.261 346 HG22 VAL 38 1HG2 VAL 38 3.985 -6.823 4.894 347 HG23 VAL 38 2HG2 VAL 38 4.418 -6.123 3.319 348 H LYS 39 H LYS 39 5.684 -2.895 2.472 349 HA LYS 39 HA LYS 39 5.591 -4.747 0.300 350 HB2 LYS 39 1HB LYS 39 4.586 -2.399 0.521 351 HB3 LYS 39 2HB LYS 39 6.193 -1.789 0.141 352 HG2 LYS 39 1HG LYS 39 5.963 -3.279 -2.008 353 HG3 LYS 39 2HG LYS 39 4.226 -3.150 -1.655 354 HD2 LYS 39 1HD LYS 39 6.190 -0.827 -1.956 355 HD3 LYS 39 2HD LYS 39 5.005 -1.327 -3.176 356 HE2 LYS 39 1HE LYS 39 3.156 -0.727 -1.689 357 HE3 LYS 39 2HE LYS 39 4.282 -0.378 -0.366 358 HZ1 LYS 39 3HZ LYS 39 3.622 1.646 -1.360 359 HZ2 LYS 39 1HZ LYS 39 4.061 1.149 -2.878 360 HZ3 LYS 39 2HZ LYS 39 5.209 1.409 -1.715 361 H ASP 40 H ASP 40 8.198 -2.651 1.512 362 HA ASP 40 HA ASP 40 9.977 -2.919 -0.707 363 HB2 ASP 40 1HB ASP 40 10.092 -1.200 1.137 364 HB3 ASP 40 2HB ASP 40 10.643 -2.472 2.234 365 H THR 41 H THR 41 9.901 -4.629 2.457 366 HA THR 41 HA THR 41 12.038 -6.419 1.607 367 HB THR 41 HB THR 41 10.279 -6.929 4.002 368 HG1 THR 41 HG1 THR 41 12.108 -4.788 3.603 369 HG21 THR 41 1HG2 THR 41 13.273 -6.996 3.503 370 HG22 THR 41 2HG2 THR 41 12.189 -8.401 3.542 371 HG23 THR 41 3HG2 THR 41 12.458 -7.448 5.017 372 H CYS 42 H CYS 42 8.549 -6.520 1.630 373 HA CYS 42 HA CYS 42 8.653 -9.342 0.657 374 HB2 CYS 42 1HB CYS 42 6.547 -8.081 2.438 375 HB3 CYS 42 2HB CYS 42 6.484 -9.712 1.769 376 HG CYS 42 HG CYS 42 8.841 -8.481 3.695 377 HA PRO 43 HA PRO 43 6.335 -6.675 -2.348 378 HB2 PRO 43 1HB PRO 43 7.550 -7.507 -4.642 379 HB3 PRO 43 2HB PRO 43 8.270 -6.244 -3.589 380 HG2 PRO 43 1HG PRO 43 8.875 -9.194 -3.679 381 HG3 PRO 43 2HG PRO 43 10.012 -7.810 -3.743 382 HD2 PRO 43 1HD PRO 43 9.492 -9.145 -1.436 383 HD3 PRO 43 2HD PRO 43 9.781 -7.364 -1.456 384 H TRP 44 H TRP 44 7.012 -9.993 -1.828 385 HA TRP 44 HA TRP 44 4.986 -11.011 -3.671 386 HB2 TRP 44 1HB TRP 44 5.596 -13.149 -2.270 387 HB3 TRP 44 2HB TRP 44 6.706 -12.510 -3.494 388 HD1 TRP 44 HD1 TRP 44 6.163 -12.099 0.302 389 HE1 TRP 44 HE1 TRP 44 8.410 -11.808 1.491 390 HE3 TRP 44 HE3 TRP 44 9.111 -12.095 -3.848 391 HZ2 TRP 44 HZ2 TRP 44 11.140 -11.545 0.712 392 HZ3 TRP 44 HZ3 TRP 44 11.580 -11.783 -3.572 393 HH2 TRP 44 HH2 TRP 44 12.573 -11.511 -1.298 394 H PHE 45 H PHE 45 4.920 -9.621 -0.527 395 HA PHE 45 HA PHE 45 2.855 -11.294 0.585 396 HB2 PHE 45 1HB PHE 45 4.241 -9.758 1.944 397 HB3 PHE 45 2HB PHE 45 3.442 -8.376 1.193 398 HD1 PHE 45 HD2 PHE 45 1.050 -7.883 1.680 399 HD2 PHE 45 HD1 PHE 45 3.130 -11.102 3.640 400 HE1 PHE 45 HE2 PHE 45 -0.768 -8.024 3.367 401 HE2 PHE 45 HE1 PHE 45 1.316 -11.238 5.346 402 HZ PHE 45 HZ PHE 45 -0.643 -9.689 5.209 403 HA PRO 46 HA PRO 46 -0.329 -8.333 -1.112 404 HB2 PRO 46 1HB PRO 46 0.147 -6.803 -3.327 405 HB3 PRO 46 2HB PRO 46 0.406 -6.197 -1.660 406 HG2 PRO 46 1HG PRO 46 2.410 -7.381 -3.556 407 HG3 PRO 46 2HG PRO 46 2.483 -5.830 -2.656 408 HD2 PRO 46 1HD PRO 46 3.708 -8.010 -1.705 409 HD3 PRO 46 2HD PRO 46 2.825 -6.915 -0.593 410 H GLN 47 H GLN 47 2.059 -9.862 -3.218 411 HA GLN 47 HA GLN 47 0.282 -10.513 -5.356 412 HB2 GLN 47 1HB GLN 47 2.785 -10.608 -5.429 413 HB3 GLN 47 2HB GLN 47 2.715 -12.070 -4.436 414 HG2 GLN 47 1HG GLN 47 1.432 -13.222 -6.189 415 HG3 GLN 47 2HG GLN 47 1.418 -11.746 -7.165 416 HE21 GLN 47 2HE2 GLN 47 3.798 -13.815 -5.459 417 HE22 GLN 47 1HE2 GLN 47 4.952 -13.813 -6.772 418 H GLU 48 H GLU 48 0.959 -12.123 -2.228 419 HA GLU 48 HA GLU 48 -0.420 -14.565 -2.906 420 HB2 GLU 48 1HB GLU 48 0.114 -13.244 -0.217 421 HB3 GLU 48 2HB GLU 48 -0.660 -14.820 -0.413 422 HG2 GLU 48 1HG GLU 48 1.469 -15.407 -1.818 423 HG3 GLU 48 2HG GLU 48 2.194 -14.050 -0.944 424 H GLY 49 H GLY 49 -1.500 -11.387 -1.830 425 HA2 GLY 49 1HA GLY 49 -3.620 -10.511 -1.753 426 HA3 GLY 49 2HA GLY 49 -4.116 -11.859 -2.771 427 H THR 50 H THR 50 -2.784 -12.376 0.455 428 HA THR 50 HA THR 50 -5.489 -12.716 1.611 429 HB THR 50 HB THR 50 -3.422 -14.959 1.547 430 HG1 THR 50 HG1 THR 50 -5.456 -14.293 -0.103 431 HG21 THR 50 1HG2 THR 50 -6.183 -14.749 2.831 432 HG22 THR 50 2HG2 THR 50 -4.630 -15.034 3.662 433 HG23 THR 50 3HG2 THR 50 -5.319 -16.282 2.593 434 H ILE 51 H ILE 51 -5.483 -12.318 3.802 435 HA ILE 51 HA ILE 51 -2.799 -11.707 5.007 436 HB ILE 51 HB ILE 51 -5.400 -10.138 5.171 437 HG12 ILE 51 1HG1 ILE 51 -2.649 -9.423 4.094 438 HG13 ILE 51 2HG1 ILE 51 -4.031 -9.879 3.103 439 HG21 ILE 51 1HG2 ILE 51 -4.269 -8.561 6.654 440 HG22 ILE 51 2HG2 ILE 51 -4.195 -10.167 7.393 441 HG23 ILE 51 3HG2 ILE 51 -2.753 -9.502 6.582 442 HD11 ILE 51 3HD1 ILE 51 -3.860 -7.565 3.019 443 HD12 ILE 51 1HD1 ILE 51 -5.255 -7.943 4.049 444 HD13 ILE 51 2HD1 ILE 51 -3.711 -7.430 4.776 445 H ASP 52 H ASP 52 -2.399 -13.087 6.514 446 HA ASP 52 HA ASP 52 -4.354 -13.515 8.677 447 HB2 ASP 52 1HB ASP 52 -4.744 -15.454 7.160 448 HB3 ASP 52 2HB ASP 52 -3.005 -15.800 7.210 449 H ILE 53 H ILE 53 -3.196 -14.468 10.553 450 HA ILE 53 HA ILE 53 -0.737 -13.096 10.873 451 HB ILE 53 HB ILE 53 -2.404 -13.715 12.663 452 HG12 ILE 53 1HG1 ILE 53 -0.738 -14.032 14.441 453 HG13 ILE 53 2HG1 ILE 53 0.437 -14.633 13.282 454 HG21 ILE 53 1HG2 ILE 53 -2.653 -16.135 12.066 455 HG22 ILE 53 2HG2 ILE 53 -0.989 -16.415 12.659 456 HG23 ILE 53 3HG2 ILE 53 -2.263 -15.873 13.779 457 HD11 ILE 53 3HD1 ILE 53 0.786 -12.493 12.351 458 HD12 ILE 53 1HD1 ILE 53 -0.654 -11.828 13.157 459 HD13 ILE 53 2HD1 ILE 53 0.771 -12.284 14.105 460 H LYS 54 H LYS 54 -1.458 -16.427 9.873 461 HA LYS 54 HA LYS 54 1.217 -17.404 10.347 462 HB2 LYS 54 1HB LYS 54 -0.993 -18.304 8.462 463 HB3 LYS 54 2HB LYS 54 0.513 -19.202 8.704 464 HG2 LYS 54 1HG LYS 54 -0.025 -19.774 10.927 465 HG3 LYS 54 2HG LYS 54 -1.189 -18.454 11.089 466 HD2 LYS 54 1HD LYS 54 -2.457 -20.455 10.991 467 HD3 LYS 54 2HD LYS 54 -2.681 -19.629 9.443 468 HE2 LYS 54 1HE LYS 54 -1.029 -21.137 8.392 469 HE3 LYS 54 2HE LYS 54 -0.781 -21.952 9.955 470 HZ1 LYS 54 3HZ LYS 54 -3.121 -22.578 9.930 471 HZ2 LYS 54 1HZ LYS 54 -2.382 -23.138 8.565 472 HZ3 LYS 54 2HZ LYS 54 -3.362 -21.812 8.491 473 H ARG 55 H ARG 55 -0.262 -15.604 7.649 474 HA ARG 55 HA ARG 55 2.140 -15.966 5.974 475 HB2 ARG 55 1HB ARG 55 -0.225 -14.067 5.732 476 HB3 ARG 55 2HB ARG 55 1.050 -14.277 4.521 477 HG2 ARG 55 1HG ARG 55 0.402 -16.622 4.212 478 HG3 ARG 55 2HG ARG 55 -0.854 -16.452 5.458 479 HD2 ARG 55 1HD ARG 55 -1.881 -14.642 4.100 480 HD3 ARG 55 2HD ARG 55 -0.705 -14.970 2.820 481 HE ARG 55 HE ARG 55 -3.024 -16.599 3.602 482 HH11 ARG 55 1HH1 ARG 55 -0.071 -16.484 1.656 483 HH12 ARG 55 2HH1 ARG 55 -0.632 -17.748 0.590 484 HH21 ARG 55 1HH2 ARG 55 -3.658 -18.191 2.194 485 HH22 ARG 55 2HH2 ARG 55 -2.616 -18.689 0.891 486 H TRP 56 H TRP 56 0.741 -13.569 8.179 487 HA TRP 56 HA TRP 56 2.575 -11.459 7.690 488 HB2 TRP 56 1HB TRP 56 0.400 -11.371 8.941 489 HB3 TRP 56 2HB TRP 56 1.209 -12.162 10.298 490 HD1 TRP 56 HD1 TRP 56 2.103 -10.504 12.054 491 HE1 TRP 56 HE1 TRP 56 2.794 -8.054 12.180 492 HE3 TRP 56 HE3 TRP 56 1.530 -9.377 7.103 493 HZ2 TRP 56 HZ2 TRP 56 3.099 -5.889 10.350 494 HZ3 TRP 56 HZ3 TRP 56 2.076 -7.068 6.328 495 HH2 TRP 56 HH2 TRP 56 2.859 -5.340 7.951 496 H ARG 57 H ARG 57 2.957 -14.419 9.569 497 HA ARG 57 HA ARG 57 5.104 -13.706 11.265 498 HB2 ARG 57 1HB ARG 57 5.027 -16.296 9.672 499 HB3 ARG 57 2HB ARG 57 5.865 -15.999 11.189 500 HG2 ARG 57 1HG ARG 57 2.899 -16.290 10.743 501 HG3 ARG 57 2HG ARG 57 3.963 -17.374 11.620 502 HD2 ARG 57 1HD ARG 57 4.363 -15.390 13.204 503 HD3 ARG 57 2HD ARG 57 2.963 -14.636 12.428 504 HE ARG 57 HE ARG 57 1.551 -16.100 13.505 505 HH11 ARG 57 1HH1 ARG 57 4.865 -17.225 14.027 506 HH12 ARG 57 2HH1 ARG 57 4.381 -18.339 15.279 507 HH21 ARG 57 1HH2 ARG 57 1.017 -17.526 15.116 508 HH22 ARG 57 2HH2 ARG 57 2.240 -18.507 15.878 509 H ARG 58 H ARG 58 5.178 -14.727 7.865 510 HA ARG 58 HA ARG 58 7.953 -14.826 7.468 511 HB2 ARG 58 1HB ARG 58 5.773 -13.948 5.544 512 HB3 ARG 58 2HB ARG 58 7.414 -14.386 5.074 513 HG2 ARG 58 1HG ARG 58 7.075 -16.673 5.705 514 HG3 ARG 58 2HG ARG 58 5.499 -16.295 6.449 515 HD2 ARG 58 1HD ARG 58 4.619 -15.562 4.307 516 HD3 ARG 58 2HD ARG 58 6.191 -15.824 3.535 517 HE ARG 58 HE ARG 58 5.502 -18.289 4.612 518 HH11 ARG 58 1HH1 ARG 58 4.037 -16.075 2.302 519 HH12 ARG 58 2HH1 ARG 58 3.273 -17.343 1.381 520 HH21 ARG 58 1HH2 ARG 58 4.516 -19.894 3.379 521 HH22 ARG 58 2HH2 ARG 58 3.557 -19.466 1.986 522 H VAL 59 H VAL 59 5.856 -11.991 7.589 523 HA VAL 59 HA VAL 59 7.647 -10.261 6.163 524 HB VAL 59 HB VAL 59 5.548 -9.561 8.258 525 HG11 VAL 59 1HG1 VAL 59 5.479 -7.387 7.083 526 HG12 VAL 59 2HG1 VAL 59 7.053 -7.710 7.829 527 HG13 VAL 59 3HG1 VAL 59 6.857 -7.911 6.075 528 HG21 VAL 59 3HG2 VAL 59 4.516 -10.858 6.520 529 HG22 VAL 59 1HG2 VAL 59 4.096 -9.158 6.260 530 HG23 VAL 59 2HG2 VAL 59 5.346 -9.922 5.255 531 H GLY 60 H GLY 60 7.216 -11.130 9.583 532 HA2 GLY 60 1HA GLY 60 9.159 -9.184 10.495 533 HA3 GLY 60 2HA GLY 60 8.458 -10.528 11.422 534 H ASP 61 H ASP 61 9.158 -12.612 9.593 535 HA ASP 61 HA ASP 61 11.829 -13.213 10.407 536 HB2 ASP 61 1HB ASP 61 10.247 -14.325 8.045 537 HB3 ASP 61 2HB ASP 61 11.672 -15.071 8.780 538 H CYS 62 H CYS 62 10.398 -11.854 7.447 539 HA CYS 62 HA CYS 62 12.777 -11.655 5.892 540 HB2 CYS 62 1HB CYS 62 10.022 -10.801 5.761 541 HB3 CYS 62 2HB CYS 62 11.059 -9.450 5.337 542 HG CYS 62 HG CYS 62 10.487 -10.292 3.103 543 H PHE 63 H PHE 63 11.206 -9.282 8.129 544 HA PHE 63 HA PHE 63 13.109 -7.197 7.623 545 HB2 PHE 63 1HB PHE 63 11.554 -7.814 10.162 546 HB3 PHE 63 2HB PHE 63 12.470 -6.337 9.882 547 HD1 PHE 63 HD1 PHE 63 11.596 -6.060 6.843 548 HD2 PHE 63 HD2 PHE 63 9.465 -6.694 10.532 549 HE1 PHE 63 HE1 PHE 63 9.599 -4.939 5.877 550 HE2 PHE 63 HE2 PHE 63 7.467 -5.559 9.572 551 HZ PHE 63 HZ PHE 63 7.531 -4.681 7.241 552 H GLN 64 H GLN 64 13.155 -10.033 9.745 553 HA GLN 64 HA GLN 64 15.376 -9.164 11.329 554 HB2 GLN 64 1HB GLN 64 13.777 -11.025 11.876 555 HB3 GLN 64 2HB GLN 64 14.592 -12.015 10.660 556 HG2 GLN 64 1HG GLN 64 16.697 -11.840 11.910 557 HG3 GLN 64 2HG GLN 64 15.904 -10.807 13.113 558 HE21 GLN 64 2HE2 GLN 64 15.914 -14.043 11.669 559 HE22 GLN 64 1HE2 GLN 64 15.210 -14.844 13.053 560 H ASP 65 H ASP 65 15.198 -11.070 8.278 561 HA ASP 65 HA ASP 65 18.076 -11.436 8.278 562 HB2 ASP 65 1HB ASP 65 16.115 -12.738 7.067 563 HB3 ASP 65 2HB ASP 65 16.463 -11.597 5.762 564 H TYR 66 H TYR 66 15.823 -9.118 6.890 565 HA TYR 66 HA TYR 66 17.630 -7.714 5.192 566 HB2 TYR 66 1HB TYR 66 15.065 -7.574 5.518 567 HB3 TYR 66 2HB TYR 66 15.401 -6.489 6.854 568 HD1 TYR 66 HD1 TYR 66 17.805 -5.947 4.179 569 HD2 TYR 66 HD2 TYR 66 13.749 -5.110 5.392 570 HE1 TYR 66 HE1 TYR 66 17.674 -4.083 2.530 571 HE2 TYR 66 HE2 TYR 66 13.640 -3.268 3.730 572 HH TYR 66 HH TYR 66 14.607 -2.331 1.918 573 H PHE 67 H PHE 67 16.840 -7.513 8.648 574 HA PHE 67 HA PHE 67 18.585 -5.296 9.276 575 HB2 PHE 67 1HB PHE 67 16.654 -6.063 10.647 576 HB3 PHE 67 2HB PHE 67 17.526 -7.547 11.025 577 HD1 PHE 67 HD2 PHE 67 19.604 -7.467 12.434 578 HD2 PHE 67 HD1 PHE 67 17.089 -4.030 11.819 579 HE1 PHE 67 HE2 PHE 67 20.634 -6.365 14.413 580 HE2 PHE 67 HE1 PHE 67 18.093 -2.931 13.801 581 HZ PHE 67 HZ PHE 67 19.876 -4.094 15.109 582 H ASN 68 H ASN 68 19.016 -8.872 9.272 583 HA ASN 68 HA ASN 68 21.584 -8.837 10.545 584 HB2 ASN 68 1HB ASN 68 20.387 -10.793 8.531 585 HB3 ASN 68 2HB ASN 68 21.910 -11.056 9.382 586 HD21 ASN 68 2HD2 ASN 68 19.488 -12.642 9.413 587 HD22 ASN 68 1HD2 ASN 68 19.004 -12.710 11.095 588 H THR 69 H THR 69 20.559 -8.476 7.172 589 HA THR 69 HA THR 69 23.183 -8.804 6.066 590 HB THR 69 HB THR 69 20.791 -7.355 4.827 591 HG1 THR 69 HG1 THR 69 20.216 -9.465 5.511 592 HG21 THR 69 1HG2 THR 69 21.766 -8.189 2.706 593 HG22 THR 69 2HG2 THR 69 23.148 -8.849 3.606 594 HG23 THR 69 3HG2 THR 69 22.881 -7.090 3.545 595 H PHE 70 H PHE 70 21.301 -5.867 6.940 596 HA PHE 70 HA PHE 70 23.738 -4.281 6.207 597 HB2 PHE 70 1HB PHE 70 20.833 -3.486 6.053 598 HB3 PHE 70 2HB PHE 70 22.218 -2.478 5.606 599 HD1 PHE 70 HD2 PHE 70 23.847 -3.519 3.801 600 HD2 PHE 70 HD1 PHE 70 19.753 -4.702 4.391 601 HE1 PHE 70 HE2 PHE 70 23.779 -4.412 1.477 602 HE2 PHE 70 HE1 PHE 70 19.669 -5.596 2.065 603 HZ PHE 70 HZ PHE 70 21.684 -5.449 0.601 604 H GLY 71 H GLY 71 22.147 -5.212 8.967 605 HA2 GLY 71 1HA GLY 71 22.542 -4.427 11.097 606 HA3 GLY 71 2HA GLY 71 23.419 -3.053 10.421 607 HA PRO 72 HA PRO 72 19.346 -1.760 12.316 608 HB2 PRO 72 1HB PRO 72 20.298 -0.038 14.197 609 HB3 PRO 72 2HB PRO 72 20.268 -1.810 14.458 610 HG2 PRO 72 1HG PRO 72 22.537 -0.096 13.485 611 HG3 PRO 72 2HG PRO 72 22.513 -1.272 14.841 612 HD2 PRO 72 1HD PRO 72 23.439 -1.971 12.412 613 HD3 PRO 72 2HD PRO 72 22.455 -3.121 13.389 614 H GLU 73 H GLU 73 21.896 -0.151 10.687 615 HA GLU 73 HA GLU 73 20.690 2.502 10.750 616 HB2 GLU 73 1HB GLU 73 22.862 1.270 9.016 617 HB3 GLU 73 2HB GLU 73 22.399 2.981 8.996 618 HG2 GLU 73 1HG GLU 73 23.002 3.156 11.398 619 HG3 GLU 73 2HG GLU 73 23.503 1.457 11.387 620 H LYS 74 H LYS 74 20.577 -0.369 8.675 621 HA LYS 74 HA LYS 74 19.077 1.104 6.605 622 HB2 LYS 74 1HB LYS 74 20.753 -1.069 6.585 623 HB3 LYS 74 2HB LYS 74 19.170 -1.836 6.444 624 HG2 LYS 74 1HG LYS 74 20.196 0.382 4.626 625 HG3 LYS 74 2HG LYS 74 20.285 -1.345 4.254 626 HD2 LYS 74 1HD LYS 74 17.795 -1.478 4.391 627 HD3 LYS 74 2HD LYS 74 17.749 0.282 4.643 628 HE2 LYS 74 1HE LYS 74 18.953 0.592 2.483 629 HE3 LYS 74 2HE LYS 74 18.877 -1.164 2.215 630 HZ1 LYS 74 3HZ LYS 74 16.516 0.604 2.536 631 HZ2 LYS 74 1HZ LYS 74 16.475 -1.016 2.221 632 HZ3 LYS 74 2HZ LYS 74 17.076 0.025 1.096 633 H VAL 75 H VAL 75 18.466 -1.417 9.092 634 HA VAL 75 HA VAL 75 15.544 -0.889 8.621 635 HB VAL 75 HB VAL 75 16.873 -3.442 9.669 636 HG11 VAL 75 1HG1 VAL 75 13.935 -2.833 9.093 637 HG12 VAL 75 2HG1 VAL 75 14.590 -4.432 9.521 638 HG13 VAL 75 3HG1 VAL 75 14.663 -3.106 10.696 639 HG21 VAL 75 3HG2 VAL 75 15.976 -4.463 7.569 640 HG22 VAL 75 1HG2 VAL 75 15.573 -2.832 6.990 641 HG23 VAL 75 2HG2 VAL 75 17.267 -3.288 7.300 642 HA PRO 76 HA PRO 76 16.315 0.436 12.771 643 HB2 PRO 76 1HB PRO 76 13.885 1.365 13.533 644 HB3 PRO 76 2HB PRO 76 14.872 2.212 12.311 645 HG2 PRO 76 1HG PRO 76 12.575 0.335 11.900 646 HG3 PRO 76 2HG PRO 76 12.881 1.922 11.141 647 HD2 PRO 76 1HD PRO 76 13.486 -0.476 9.942 648 HD3 PRO 76 2HD PRO 76 14.407 1.036 9.635 649 H VAL 77 H VAL 77 15.999 -0.337 14.929 650 HA VAL 77 HA VAL 77 14.939 -2.989 15.174 651 HB VAL 77 HB VAL 77 15.250 -2.671 17.625 652 HG11 VAL 77 1HG1 VAL 77 17.594 -1.632 15.970 653 HG12 VAL 77 2HG1 VAL 77 17.685 -2.387 17.577 654 HG13 VAL 77 3HG1 VAL 77 17.149 -3.342 16.179 655 HG21 VAL 77 3HG2 VAL 77 16.074 0.191 16.909 656 HG22 VAL 77 1HG2 VAL 77 14.607 -0.274 17.808 657 HG23 VAL 77 2HG2 VAL 77 16.208 -0.571 18.506 658 H THR 78 H THR 78 13.451 0.145 15.266 659 HA THR 78 HA THR 78 11.160 -0.693 16.821 660 HB THR 78 HB THR 78 11.996 1.746 16.339 661 HG1 THR 78 HG1 THR 78 9.841 2.434 16.738 662 HG21 THR 78 1HG2 THR 78 9.929 1.513 14.145 663 HG22 THR 78 2HG2 THR 78 11.678 1.536 13.830 664 HG23 THR 78 3HG2 THR 78 10.898 2.932 14.592 665 H ALA 79 H ALA 79 12.154 -1.249 13.528 666 HA ALA 79 HA ALA 79 9.554 -1.387 12.344 667 HB1 ALA 79 3HB ALA 79 11.598 -1.444 10.999 668 HB2 ALA 79 1HB ALA 79 12.075 -2.989 11.741 669 HB3 ALA 79 2HB ALA 79 10.635 -2.907 10.699 670 H PHE 80 H PHE 80 11.443 -3.689 14.302 671 HA PHE 80 HA PHE 80 9.584 -5.869 13.970 672 HB2 PHE 80 1HB PHE 80 11.565 -5.304 16.203 673 HB3 PHE 80 2HB PHE 80 10.788 -6.857 15.865 674 HD1 PHE 80 HD1 PHE 80 11.261 -8.001 13.642 675 HD2 PHE 80 HD2 PHE 80 13.558 -4.666 15.088 676 HE1 PHE 80 HE1 PHE 80 13.079 -8.582 12.078 677 HE2 PHE 80 HE2 PHE 80 15.384 -5.223 13.495 678 HZ PHE 80 HZ PHE 80 15.144 -7.181 11.977 679 H SER 81 H SER 81 9.798 -3.122 16.147 680 HA SER 81 HA SER 81 7.923 -4.149 18.113 681 HB2 SER 81 1HB SER 81 9.587 -2.357 18.613 682 HB3 SER 81 2HB SER 81 8.725 -1.271 17.502 683 HG SER 81 HG SER 81 8.073 -0.972 19.670 684 H TYR 82 H TYR 82 7.773 -1.883 15.356 685 HA TYR 82 HA TYR 82 4.953 -1.394 15.475 686 HB2 TYR 82 1HB TYR 82 7.134 -1.169 13.426 687 HB3 TYR 82 2HB TYR 82 5.461 -1.157 12.856 688 HD1 TYR 82 HD1 TYR 82 7.839 0.610 15.156 689 HD2 TYR 82 HD2 TYR 82 4.080 0.713 13.088 690 HE1 TYR 82 HE1 TYR 82 7.595 3.005 15.759 691 HE2 TYR 82 HE2 TYR 82 3.848 3.169 13.669 692 HH TYR 82 HH TYR 82 5.068 5.092 14.560 693 H TRP 83 H TRP 83 6.948 -3.857 13.806 694 HA TRP 83 HA TRP 83 4.825 -5.017 12.370 695 HB2 TRP 83 1HB TRP 83 7.185 -5.541 11.940 696 HB3 TRP 83 2HB TRP 83 7.354 -6.236 13.545 697 HD1 TRP 83 HD1 TRP 83 5.590 -7.043 10.206 698 HE1 TRP 83 HE1 TRP 83 5.135 -9.544 10.064 699 HE3 TRP 83 HE3 TRP 83 7.205 -8.312 14.887 700 HZ2 TRP 83 HZ2 TRP 83 5.444 -11.803 11.753 701 HZ3 TRP 83 HZ3 TRP 83 7.131 -10.719 15.568 702 HH2 TRP 83 HH2 TRP 83 6.250 -12.450 13.996 703 H ASN 84 H ASN 84 6.008 -5.618 15.682 704 HA ASN 84 HA ASN 84 4.357 -7.885 16.233 705 HB2 ASN 84 1HB ASN 84 5.949 -5.940 17.825 706 HB3 ASN 84 2HB ASN 84 4.660 -6.794 18.681 707 HD21 ASN 84 2HD2 ASN 84 7.811 -7.002 17.372 708 HD22 ASN 84 1HD2 ASN 84 8.093 -8.683 17.772 709 H LEU 85 H LEU 85 3.673 -4.421 16.218 710 HA LEU 85 HA LEU 85 1.333 -4.491 17.873 711 HB2 LEU 85 1HB LEU 85 2.652 -2.478 17.194 712 HB3 LEU 85 2HB LEU 85 2.045 -2.648 15.563 713 HG LEU 85 HG LEU 85 0.200 -2.137 17.879 714 HD11 LEU 85 1HD1 LEU 85 1.701 -0.142 16.127 715 HD12 LEU 85 2HD1 LEU 85 1.927 -0.399 17.875 716 HD13 LEU 85 3HD1 LEU 85 0.400 0.272 17.267 717 HD21 LEU 85 3HD2 LEU 85 -0.974 -2.791 15.832 718 HD22 LEU 85 1HD2 LEU 85 -0.014 -1.645 14.869 719 HD23 LEU 85 2HD2 LEU 85 -1.185 -1.048 16.067 720 H ILE 86 H ILE 86 1.855 -4.765 14.324 721 HA ILE 86 HA ILE 86 -0.984 -5.150 13.881 722 HB ILE 86 HB ILE 86 1.308 -5.738 11.981 723 HG12 ILE 86 1HG1 ILE 86 -0.164 -3.419 11.253 724 HG13 ILE 86 2HG1 ILE 86 0.193 -3.243 12.968 725 HG21 ILE 86 1HG2 ILE 86 -1.711 -5.429 11.613 726 HG22 ILE 86 2HG2 ILE 86 -0.539 -5.408 10.260 727 HG23 ILE 86 3HG2 ILE 86 -0.717 -6.856 11.265 728 HD11 ILE 86 3HD1 ILE 86 2.125 -3.603 10.683 729 HD12 ILE 86 1HD1 ILE 86 1.994 -2.245 11.827 730 HD13 ILE 86 2HD1 ILE 86 2.593 -3.822 12.384 731 H LYS 87 H LYS 87 1.834 -7.210 14.466 732 HA LYS 87 HA LYS 87 0.662 -9.650 13.591 733 HB2 LYS 87 1HB LYS 87 2.795 -10.171 14.041 734 HB3 LYS 87 2HB LYS 87 2.974 -8.832 15.156 735 HG2 LYS 87 1HG LYS 87 2.019 -10.182 16.982 736 HG3 LYS 87 2HG LYS 87 1.800 -11.541 15.863 737 HD2 LYS 87 1HD LYS 87 4.157 -11.761 15.557 738 HD3 LYS 87 2HD LYS 87 4.463 -10.229 16.398 739 HE2 LYS 87 1HE LYS 87 3.358 -11.289 18.449 740 HE3 LYS 87 2HE LYS 87 3.462 -12.838 17.580 741 HZ1 LYS 87 3HZ LYS 87 5.387 -12.492 18.999 742 HZ2 LYS 87 1HZ LYS 87 5.736 -11.054 18.263 743 HZ3 LYS 87 2HZ LYS 87 5.872 -12.470 17.420 744 H GLU 88 H GLU 88 0.528 -8.081 16.870 745 HA GLU 88 HA GLU 88 -1.076 -10.280 17.835 746 HB2 GLU 88 1HB GLU 88 -1.101 -9.218 19.874 747 HB3 GLU 88 2HB GLU 88 0.391 -8.637 19.160 748 HG2 GLU 88 1HG GLU 88 -0.457 -6.701 20.078 749 HG3 GLU 88 2HG GLU 88 -1.045 -6.574 18.418 750 H LEU 89 H LEU 89 -1.807 -7.405 16.020 751 HA LEU 89 HA LEU 89 -4.552 -7.227 16.741 752 HB2 LEU 89 1HB LEU 89 -3.249 -5.333 16.059 753 HB3 LEU 89 2HB LEU 89 -2.784 -6.139 14.573 754 HG LEU 89 HG LEU 89 -5.033 -6.095 13.804 755 HD11 LEU 89 1HD1 LEU 89 -6.345 -5.975 15.845 756 HD12 LEU 89 2HD1 LEU 89 -6.671 -4.504 14.910 757 HD13 LEU 89 3HD1 LEU 89 -5.567 -4.442 16.294 758 HD21 LEU 89 3HD2 LEU 89 -3.440 -4.357 13.146 759 HD22 LEU 89 1HD2 LEU 89 -3.884 -3.388 14.571 760 HD23 LEU 89 2HD2 LEU 89 -5.068 -3.663 13.272 761 H ILE 90 H ILE 90 -2.739 -8.685 13.977 762 HA ILE 90 HA ILE 90 -5.184 -9.613 12.675 763 HB ILE 90 HB ILE 90 -2.328 -10.692 12.344 764 HG12 ILE 90 1HG1 ILE 90 -3.780 -8.753 10.509 765 HG13 ILE 90 2HG1 ILE 90 -2.648 -8.227 11.752 766 HG21 ILE 90 1HG2 ILE 90 -3.161 -11.597 10.179 767 HG22 ILE 90 2HG2 ILE 90 -4.122 -12.248 11.510 768 HG23 ILE 90 3HG2 ILE 90 -4.772 -10.934 10.504 769 HD11 ILE 90 3HD1 ILE 90 -1.444 -8.340 9.623 770 HD12 ILE 90 1HD1 ILE 90 -0.846 -9.652 10.666 771 HD13 ILE 90 2HD1 ILE 90 -1.979 -10.008 9.345 772 H ASP 91 H ASP 91 -2.822 -10.932 14.994 773 HA ASP 91 HA ASP 91 -3.585 -13.654 14.944 774 HB2 ASP 91 1HB ASP 91 -1.611 -12.552 16.105 775 HB3 ASP 91 2HB ASP 91 -2.724 -12.060 17.388 776 H LYS 92 H LYS 92 -5.103 -10.885 16.516 777 HA LYS 92 HA LYS 92 -7.071 -12.711 17.830 778 HB2 LYS 92 1HB LYS 92 -6.407 -9.833 18.375 779 HB3 LYS 92 2HB LYS 92 -7.590 -10.835 19.245 780 HG2 LYS 92 1HG LYS 92 -5.704 -12.467 19.674 781 HG3 LYS 92 2HG LYS 92 -4.609 -11.197 19.093 782 HD2 LYS 92 1HD LYS 92 -5.651 -9.668 20.745 783 HD3 LYS 92 2HD LYS 92 -6.569 -11.065 21.350 784 HE2 LYS 92 1HE LYS 92 -4.566 -10.710 22.731 785 HE3 LYS 92 2HE LYS 92 -4.420 -12.234 21.821 786 HZ1 LYS 92 3HZ LYS 92 -3.073 -11.058 20.195 787 HZ2 LYS 92 1HZ LYS 92 -2.393 -10.917 21.691 788 HZ3 LYS 92 2HZ LYS 92 -3.207 -9.638 21.028 789 H LYS 93 H LYS 93 -7.052 -11.684 14.885 790 HA LYS 93 HA LYS 93 -9.131 -9.738 14.683 791 HB2 LYS 93 1HB LYS 93 -9.249 -10.257 12.359 792 HB3 LYS 93 2HB LYS 93 -7.562 -10.320 12.862 793 HG2 LYS 93 1HG LYS 93 -7.760 -12.838 12.964 794 HG3 LYS 93 2HG LYS 93 -9.384 -12.684 12.264 795 HD2 LYS 93 1HD LYS 93 -8.467 -11.599 10.275 796 HD3 LYS 93 2HD LYS 93 -6.856 -11.559 11.005 797 HE2 LYS 93 1HE LYS 93 -6.889 -13.362 9.421 798 HE3 LYS 93 2HE LYS 93 -6.847 -14.063 11.050 799 HZ1 LYS 93 3HZ LYS 93 -8.445 -15.178 9.632 800 HZ2 LYS 93 1HZ LYS 93 -9.269 -13.773 9.365 801 HZ3 LYS 93 2HZ LYS 93 -9.231 -14.436 10.877 802 H GLU 94 H GLU 94 -9.303 -13.135 15.345 803 HA GLU 94 HA GLU 94 -11.966 -13.649 14.477 804 HB2 GLU 94 1HB GLU 94 -11.833 -15.475 16.241 805 HB3 GLU 94 2HB GLU 94 -10.596 -15.494 14.980 806 HG2 GLU 94 1HG GLU 94 -8.946 -14.530 16.497 807 HG3 GLU 94 2HG GLU 94 -10.171 -14.341 17.759 808 H VAL 95 H VAL 95 -10.746 -12.094 17.431 809 HA VAL 95 HA VAL 95 -13.575 -11.886 18.388 810 HB VAL 95 HB VAL 95 -12.596 -11.395 20.633 811 HG11 VAL 95 1HG1 VAL 95 -11.949 -13.691 21.163 812 HG12 VAL 95 2HG1 VAL 95 -13.277 -13.703 19.984 813 HG13 VAL 95 3HG1 VAL 95 -11.613 -14.033 19.452 814 HG21 VAL 95 3HG2 VAL 95 -9.923 -12.184 19.373 815 HG22 VAL 95 1HG2 VAL 95 -10.379 -10.534 19.867 816 HG23 VAL 95 2HG2 VAL 95 -10.223 -11.815 21.082 817 H ASN 96 H ASN 96 -11.642 -10.280 16.475 818 HA ASN 96 HA ASN 96 -12.502 -7.609 17.535 819 HB2 ASN 96 1HB ASN 96 -9.882 -8.441 16.281 820 HB3 ASN 96 2HB ASN 96 -10.473 -6.783 16.126 821 HD21 ASN 96 2HD2 ASN 96 -9.203 -9.179 18.296 822 HD22 ASN 96 1HD2 ASN 96 -8.928 -8.071 19.627 823 HA PRO 97 HA PRO 97 -14.277 -8.553 13.389 824 HB2 PRO 97 1HB PRO 97 -16.688 -7.288 13.717 825 HB3 PRO 97 2HB PRO 97 -16.382 -8.970 14.262 826 HG2 PRO 97 1HG PRO 97 -16.235 -6.421 15.865 827 HG3 PRO 97 2HG PRO 97 -17.126 -7.934 16.234 828 HD2 PRO 97 1HD PRO 97 -14.719 -7.470 17.321 829 HD3 PRO 97 2HD PRO 97 -15.142 -9.114 16.724 830 H GLN 98 H GLN 98 -13.723 -5.668 15.239 831 HA GLN 98 HA GLN 98 -14.328 -3.686 13.287 832 HB2 GLN 98 1HB GLN 98 -13.769 -3.429 15.807 833 HB3 GLN 98 2HB GLN 98 -12.072 -3.558 15.328 834 HG2 GLN 98 1HG GLN 98 -12.596 -1.246 15.549 835 HG3 GLN 98 2HG GLN 98 -12.410 -1.583 13.822 836 HE21 GLN 98 2HE2 GLN 98 -14.901 -1.367 16.386 837 HE22 GLN 98 1HE2 GLN 98 -16.136 -0.711 15.339 838 H VAL 99 H VAL 99 -11.384 -5.606 14.036 839 HA VAL 99 HA VAL 99 -10.031 -4.306 11.808 840 HB VAL 99 HB VAL 99 -8.846 -5.027 13.981 841 HG11 VAL 99 1HG1 VAL 99 -8.719 -7.698 12.504 842 HG12 VAL 99 2HG1 VAL 99 -7.929 -7.281 14.043 843 HG13 VAL 99 3HG1 VAL 99 -9.693 -7.396 13.949 844 HG21 VAL 99 3HG2 VAL 99 -7.738 -5.704 11.227 845 HG22 VAL 99 1HG2 VAL 99 -7.664 -4.134 12.058 846 HG23 VAL 99 2HG2 VAL 99 -6.763 -5.524 12.684 847 H MET 100 H MET 100 -11.789 -7.318 12.399 848 HA MET 100 HA MET 100 -10.640 -8.802 10.277 849 HB2 MET 100 1HB MET 100 -12.709 -9.102 12.129 850 HB3 MET 100 2HB MET 100 -13.486 -9.255 10.568 851 HG2 MET 100 1HG MET 100 -11.248 -10.920 11.720 852 HG3 MET 100 2HG MET 100 -12.873 -11.450 11.295 853 HE1 MET 100 3HE MET 100 -12.751 -11.643 7.363 854 HE2 MET 100 1HE MET 100 -13.728 -11.908 8.827 855 HE3 MET 100 2HE MET 100 -13.347 -10.251 8.294 856 H ALA 101 H ALA 101 -13.285 -6.386 10.267 857 HA ALA 101 HA ALA 101 -13.931 -6.709 7.485 858 HB1 ALA 101 3HB ALA 101 -15.404 -5.530 9.070 859 HB2 ALA 101 1HB ALA 101 -14.165 -4.276 9.316 860 HB3 ALA 101 2HB ALA 101 -14.951 -4.455 7.727 861 H ALA 102 H ALA 102 -11.347 -5.012 9.184 862 HA ALA 102 HA ALA 102 -10.550 -3.397 6.899 863 HB1 ALA 102 3HB ALA 102 -10.200 -2.939 9.467 864 HB2 ALA 102 1HB ALA 102 -8.800 -4.021 9.301 865 HB3 ALA 102 2HB ALA 102 -8.895 -2.530 8.340 866 H VAL 103 H VAL 103 -9.764 -6.551 8.310 867 HA VAL 103 HA VAL 103 -7.352 -7.049 6.816 868 HB VAL 103 HB VAL 103 -9.463 -8.977 7.937 869 HG11 VAL 103 1HG1 VAL 103 -7.723 -10.742 7.711 870 HG12 VAL 103 2HG1 VAL 103 -8.265 -10.115 6.144 871 HG13 VAL 103 3HG1 VAL 103 -6.711 -9.590 6.822 872 HG21 VAL 103 3HG2 VAL 103 -6.679 -8.366 9.006 873 HG22 VAL 103 1HG2 VAL 103 -8.148 -7.564 9.587 874 HG23 VAL 103 2HG2 VAL 103 -7.965 -9.310 9.792 875 H ALA 104 H ALA 104 -10.806 -7.862 6.284 876 HA ALA 104 HA ALA 104 -10.440 -9.062 3.741 877 HB1 ALA 104 3HB ALA 104 -12.851 -7.538 4.833 878 HB2 ALA 104 1HB ALA 104 -12.862 -8.671 3.459 879 HB3 ALA 104 2HB ALA 104 -12.500 -9.265 5.099 880 H GLN 105 H GLN 105 -11.095 -5.642 4.650 881 HA GLN 105 HA GLN 105 -11.275 -4.682 1.976 882 HB2 GLN 105 1HB GLN 105 -10.605 -3.442 4.639 883 HB3 GLN 105 2HB GLN 105 -10.310 -2.532 3.146 884 HG2 GLN 105 1HG GLN 105 -12.706 -3.080 2.513 885 HG3 GLN 105 2HG GLN 105 -12.925 -3.558 4.204 886 HE21 GLN 105 2HE2 GLN 105 -13.625 -1.998 5.503 887 HE22 GLN 105 1HE2 GLN 105 -13.377 -0.280 5.254 888 H THR 106 H THR 106 -8.412 -5.196 4.097 889 HA THR 106 HA THR 106 -6.686 -3.863 2.206 890 HB THR 106 HB THR 106 -5.830 -5.930 4.245 891 HG1 THR 106 HG1 THR 106 -7.050 -4.257 5.218 892 HG21 THR 106 1HG2 THR 106 -3.758 -4.499 4.215 893 HG22 THR 106 2HG2 THR 106 -4.458 -3.576 2.875 894 HG23 THR 106 3HG2 THR 106 -4.066 -5.294 2.659 895 H GLU 107 H GLU 107 -7.772 -7.249 2.694 896 HA GLU 107 HA GLU 107 -6.078 -8.408 0.713 897 HB2 GLU 107 1HB GLU 107 -8.856 -9.142 1.661 898 HB3 GLU 107 2HB GLU 107 -7.957 -10.102 0.482 899 HG2 GLU 107 1HG GLU 107 -6.151 -10.442 2.095 900 HG3 GLU 107 2HG GLU 107 -7.008 -9.471 3.291 901 H GLU 108 H GLU 108 -9.237 -6.700 0.345 902 HA GLU 108 HA GLU 108 -9.543 -7.214 -2.462 903 HB2 GLU 108 1HB GLU 108 -10.271 -4.737 -0.845 904 HB3 GLU 108 2HB GLU 108 -10.795 -5.034 -2.496 905 HG2 GLU 108 1HG GLU 108 -12.119 -6.936 -1.789 906 HG3 GLU 108 2HG GLU 108 -11.499 -6.795 -0.138 907 H ILE 109 H ILE 109 -7.836 -4.673 -0.658 908 HA ILE 109 HA ILE 109 -6.991 -3.207 -2.992 909 HB ILE 109 HB ILE 109 -5.951 -3.195 -0.116 910 HG12 ILE 109 1HG1 ILE 109 -7.686 -1.084 -1.426 911 HG13 ILE 109 2HG1 ILE 109 -8.427 -2.531 -0.762 912 HG21 ILE 109 1HG2 ILE 109 -5.067 -0.892 -0.740 913 HG22 ILE 109 2HG2 ILE 109 -4.217 -2.229 -1.530 914 HG23 ILE 109 3HG2 ILE 109 -5.409 -1.277 -2.441 915 HD11 ILE 109 3HD1 ILE 109 -8.609 -0.927 0.961 916 HD12 ILE 109 1HD1 ILE 109 -7.269 -1.980 1.455 917 HD13 ILE 109 2HD1 ILE 109 -6.928 -0.383 0.752 918 H LEU 110 H LEU 110 -5.613 -5.919 -1.142 919 HA LEU 110 HA LEU 110 -3.008 -5.855 -2.374 920 HB2 LEU 110 1HB LEU 110 -4.586 -8.274 -1.437 921 HB3 LEU 110 2HB LEU 110 -2.903 -8.267 -1.892 922 HG LEU 110 HG LEU 110 -4.161 -7.260 0.623 923 HD11 LEU 110 1HD1 LEU 110 -3.481 -9.546 0.606 924 HD12 LEU 110 2HD1 LEU 110 -2.288 -8.653 1.562 925 HD13 LEU 110 3HD1 LEU 110 -1.899 -9.146 -0.095 926 HD21 LEU 110 3HD2 LEU 110 -1.414 -6.487 -0.372 927 HD22 LEU 110 1HD2 LEU 110 -1.980 -6.318 1.303 928 HD23 LEU 110 2HD2 LEU 110 -2.762 -5.392 0.009 929 H LYS 111 H LYS 111 -6.144 -7.265 -3.407 930 HA LYS 111 HA LYS 111 -5.001 -8.643 -5.688 931 HB2 LYS 111 1HB LYS 111 -7.825 -7.572 -5.323 932 HB3 LYS 111 2HB LYS 111 -7.308 -8.718 -6.559 933 HG2 LYS 111 1HG LYS 111 -7.316 -9.228 -3.570 934 HG3 LYS 111 2HG LYS 111 -8.511 -9.815 -4.721 935 HD2 LYS 111 1HD LYS 111 -6.724 -11.111 -5.875 936 HD3 LYS 111 2HD LYS 111 -5.564 -10.560 -4.642 937 HE2 LYS 111 1HE LYS 111 -7.010 -11.556 -2.877 938 HE3 LYS 111 2HE LYS 111 -8.091 -12.175 -4.145 939 HZ1 LYS 111 3HZ LYS 111 -6.489 -13.827 -3.390 940 HZ2 LYS 111 1HZ LYS 111 -5.233 -12.884 -3.877 941 HZ3 LYS 111 2HZ LYS 111 -6.284 -13.495 -4.997 942 H SER 112 H SER 112 -5.922 -5.319 -5.082 943 HA SER 112 HA SER 112 -5.891 -4.580 -7.915 944 HB2 SER 112 1HB SER 112 -7.206 -3.375 -6.137 945 HB3 SER 112 2HB SER 112 -5.672 -2.794 -5.464 946 HG SER 112 HG SER 112 -5.290 -2.013 -7.721 947 H ASN 113 H ASN 113 -3.565 -4.980 -5.365 948 HA ASN 113 HA ASN 113 -1.502 -3.322 -6.695 949 HB2 ASN 113 1HB ASN 113 -1.785 -4.809 -4.111 950 HB3 ASN 113 2HB ASN 113 -0.158 -4.718 -4.796 951 HD21 ASN 113 2HD2 ASN 113 -2.780 -2.311 -4.909 952 HD22 ASN 113 1HD2 ASN 113 -1.871 -1.049 -4.090 953 H SER 114 H SER 114 -2.413 -6.726 -6.328 954 HA SER 114 HA SER 114 0.039 -7.760 -7.440 955 HB2 SER 114 1HB SER 114 -1.478 -9.039 -5.908 956 HB3 SER 114 2HB SER 114 -2.699 -9.071 -7.200 957 HG SER 114 HG SER 114 -1.347 -10.953 -7.118 958 H GLN 115 H GLN 115 0.550 -7.985 -9.493 959 HA GLN 115 HA GLN 115 -1.544 -7.380 -11.539 960 HB2 GLN 115 1HB GLN 115 0.640 -5.848 -10.782 961 HB3 GLN 115 2HB GLN 115 1.207 -6.651 -12.251 962 HG2 GLN 115 1HG GLN 115 -0.734 -5.800 -13.482 963 HG3 GLN 115 2HG GLN 115 -1.371 -5.072 -11.997 964 HE21 GLN 115 2HE2 GLN 115 -0.378 -3.239 -11.121 965 HE22 GLN 115 1HE2 GLN 115 0.727 -2.267 -12.065 966 H THR 116 H THR 116 0.224 -9.923 -10.529 967 HA THR 116 HA THR 116 1.558 -10.698 -12.952 968 HB THR 116 HB THR 116 0.947 -12.769 -10.916 969 HG1 THR 116 HG1 THR 116 2.538 -11.592 -9.537 970 HG21 THR 116 1HG2 THR 116 2.602 -12.901 -12.766 971 HG22 THR 116 2HG2 THR 116 3.322 -13.103 -11.144 972 HG23 THR 116 3HG2 THR 116 3.485 -11.555 -12.013 973 H ASP 117 H ASP 117 -1.059 -10.270 -13.603 974 HA ASP 117 HA ASP 117 -2.950 -11.048 -14.635 975 HB2 ASP 117 1HB ASP 117 -1.078 -11.834 -16.171 976 HB3 ASP 117 2HB ASP 117 -1.334 -13.453 -15.500 977 H LEU 118 H LEU 118 -2.086 -12.489 -11.896 978 HA LEU 118 HA LEU 118 -3.493 -14.967 -12.005 979 HB2 LEU 118 1HB LEU 118 -3.421 -14.888 -9.534 980 HB3 LEU 118 2HB LEU 118 -1.878 -14.715 -10.334 981 HG LEU 118 HG LEU 118 -1.974 -12.231 -9.814 982 HD11 LEU 118 1HD1 LEU 118 -4.231 -13.173 -7.986 983 HD12 LEU 118 2HD1 LEU 118 -4.290 -11.866 -9.191 984 HD13 LEU 118 3HD1 LEU 118 -3.308 -11.676 -7.738 985 HD21 LEU 118 3HD2 LEU 118 -1.154 -12.705 -7.517 986 HD22 LEU 118 1HD2 LEU 118 -0.558 -13.893 -8.686 987 HD23 LEU 118 2HD2 LEU 118 -1.895 -14.313 -7.584 988 H GLU 119 H GLU 119 -5.466 -15.533 -11.389 989 HA GLU 119 HA GLU 119 -7.707 -15.441 -11.209 990 HB2 GLU 119 1HB GLU 119 -7.118 -12.904 -9.704 991 HB3 GLU 119 2HB GLU 119 -8.718 -13.655 -9.793 992 HG2 GLU 119 1HG GLU 119 -7.945 -15.649 -8.714 993 HG3 GLU 119 2HG GLU 119 -6.253 -15.165 -8.864 994 H HIS 120 H HIS 120 -6.253 -12.818 -12.914 995 HA HIS 120 HA HIS 120 -8.599 -11.655 -14.066 996 HB2 HIS 120 1HB HIS 120 -6.206 -10.800 -14.114 997 HB3 HIS 120 2HB HIS 120 -5.856 -12.034 -15.327 998 HD1 HIS 120 HD1 HIS 120 -8.281 -9.071 -14.870 999 HD2 HIS 120 HD2 HIS 120 -6.211 -11.140 -17.869 1000 HE1 HIS 120 HE1 HIS 120 -8.720 -7.833 -17.058 1001 H HIS 121 H HIS 121 -7.099 -14.713 -14.474 1002 HA HIS 121 HA HIS 121 -9.296 -15.512 -16.241 1003 HB2 HIS 121 1HB HIS 121 -6.998 -14.861 -17.533 1004 HB3 HIS 121 2HB HIS 121 -6.580 -16.511 -17.059 1005 HD1 HIS 121 HD1 HIS 121 -6.591 -16.887 -19.774 1006 HD2 HIS 121 HD2 HIS 121 -10.316 -16.129 -17.996 1007 HE1 HIS 121 HE1 HIS 121 -8.381 -17.595 -21.455 1008 H HIS 122 H HIS 122 -9.260 -18.055 -16.237 1009 HA HIS 122 HA HIS 122 -7.640 -19.239 -14.080 1010 HB2 HIS 122 1HB HIS 122 -10.394 -18.370 -13.644 1011 HB3 HIS 122 2HB HIS 122 -10.264 -20.125 -13.493 1012 HD1 HIS 122 HD1 HIS 122 -8.459 -16.993 -12.143 1013 HD2 HIS 122 HD2 HIS 122 -9.431 -20.911 -10.995 1014 HE1 HIS 122 HE1 HIS 122 -7.715 -17.272 -9.712 1015 H HIS 123 H HIS 123 -7.704 -21.553 -14.108 1016 HA HIS 123 HA HIS 123 -9.360 -22.945 -16.095 1017 HB2 HIS 123 1HB HIS 123 -7.282 -22.013 -17.329 1018 HB3 HIS 123 2HB HIS 123 -6.320 -23.090 -16.309 1019 HD1 HIS 123 HD1 HIS 123 -9.015 -23.189 -19.039 1020 HD2 HIS 123 HD2 HIS 123 -6.229 -25.725 -17.189 1021 HE1 HIS 123 HE1 HIS 123 -8.988 -25.367 -20.372 1022 H HIS 124 H HIS 124 -9.309 -25.253 -15.572 1023 HA HIS 124 HA HIS 124 -8.568 -25.873 -12.815 1024 HB2 HIS 124 1HB HIS 124 -9.794 -27.312 -15.148 1025 HB3 HIS 124 2HB HIS 124 -8.934 -28.307 -13.973 1026 HD1 HIS 124 HD1 HIS 124 -9.904 -28.503 -11.539 1027 HD2 HIS 124 HD2 HIS 124 -12.261 -26.275 -14.209 1028 HE1 HIS 124 HE1 HIS 124 -12.195 -28.206 -10.450 1029 H HIS 125 H HIS 125 -7.002 -27.530 -12.229 1030 HA HIS 125 HA HIS 125 -5.198 -28.515 -14.305 1031 HB2 HIS 125 1HB HIS 125 -3.165 -27.994 -13.226 1032 HB3 HIS 125 2HB HIS 125 -4.024 -26.451 -13.216 1033 HD1 HIS 125 HD1 HIS 125 -3.599 -29.495 -10.871 1034 HD2 HIS 125 HD2 HIS 125 -3.946 -25.314 -10.710 1035 HE1 HIS 125 HE1 HIS 125 -3.295 -28.809 -8.422 Start of MODEL 4 1 H21 MYR 1 1H2 MYR 1 0.186 -0.020 -0.996 2 H22 MYR 1 2H2 MYR 1 1.763 -0.090 -0.220 3 H31 MYR 1 1H3 MYR 1 -0.509 -2.107 0.315 4 H32 MYR 1 2H3 MYR 1 0.758 -2.371 -0.880 5 H41 MYR 1 1H4 MYR 1 2.500 -2.192 0.934 6 H42 MYR 1 2H4 MYR 1 1.247 -1.949 2.128 7 H51 MYR 1 1H5 MYR 1 1.215 -4.458 0.387 8 H52 MYR 1 2H5 MYR 1 2.311 -4.371 1.750 9 H61 MYR 1 1H6 MYR 1 -0.698 -3.844 2.097 10 H62 MYR 1 2H6 MYR 1 -0.033 -5.473 2.117 11 H71 MYR 1 1H7 MYR 1 1.484 -4.831 4.019 12 H72 MYR 1 2H7 MYR 1 0.766 -3.219 4.046 13 H81 MYR 1 1H8 MYR 1 -1.438 -4.129 4.645 14 H82 MYR 1 2H8 MYR 1 -0.870 -5.781 4.414 15 H91 MYR 1 1H9 MYR 1 -0.150 -3.833 6.664 16 H92 MYR 1 2H9 MYR 1 0.932 -5.148 6.273 17 H101 MYR 1 1H10 MYR 1 -0.411 -6.012 8.019 18 H102 MYR 1 2H10 MYR 1 -1.020 -6.783 6.566 19 H111 MYR 1 1H11 MYR 1 -2.301 -4.384 8.010 20 H112 MYR 1 2H11 MYR 1 -2.910 -5.057 6.500 21 H121 MYR 1 1H12 MYR 1 -3.075 -7.317 7.731 22 H122 MYR 1 2H12 MYR 1 -2.756 -6.467 9.226 23 H131 MYR 1 1H13 MYR 1 -5.071 -5.656 7.381 24 H132 MYR 1 2H13 MYR 1 -5.227 -6.957 8.537 25 H141 MYR 1 1H14 MYR 1 -4.661 -5.382 10.419 26 H142 MYR 1 2H14 MYR 1 -4.603 -4.045 9.248 27 H143 MYR 1 3H14 MYR 1 -6.123 -4.918 9.535 28 H GLY 2 H GLY 2 2.001 0.711 1.802 29 HA2 GLY 2 1HA GLY 2 -0.144 1.058 3.713 30 HA3 GLY 2 2HA GLY 2 1.509 1.684 3.845 31 H GLN 3 H GLN 3 1.663 3.201 1.495 32 HA GLN 3 HA GLN 3 0.291 5.598 2.331 33 HB2 GLN 3 1HB GLN 3 1.510 4.949 -0.383 34 HB3 GLN 3 2HB GLN 3 1.089 6.555 0.216 35 HG2 GLN 3 1HG GLN 3 3.273 4.722 1.242 36 HG3 GLN 3 2HG GLN 3 3.475 6.256 0.396 37 HE21 GLN 3 2HE2 GLN 3 2.031 8.065 1.619 38 HE22 GLN 3 1HE2 GLN 3 2.399 8.158 3.325 39 H GLU 4 H GLU 4 -0.389 3.050 -0.035 40 HA GLU 4 HA GLU 4 -2.594 4.337 -1.329 41 HB2 GLU 4 1HB GLU 4 -1.488 2.451 -2.347 42 HB3 GLU 4 2HB GLU 4 -1.787 1.443 -0.943 43 HG2 GLU 4 1HG GLU 4 -3.272 0.693 -2.581 44 HG3 GLU 4 2HG GLU 4 -4.252 1.602 -1.428 45 H LEU 5 H LEU 5 -2.405 2.090 1.474 46 HA LEU 5 HA LEU 5 -5.220 1.978 1.906 47 HB2 LEU 5 1HB LEU 5 -2.729 1.325 3.385 48 HB3 LEU 5 2HB LEU 5 -4.171 1.553 4.361 49 HG LEU 5 HG LEU 5 -5.240 -0.296 3.485 50 HD11 LEU 5 1HD1 LEU 5 -4.552 -1.618 1.551 51 HD12 LEU 5 2HD1 LEU 5 -3.337 -0.380 1.163 52 HD13 LEU 5 3HD1 LEU 5 -5.071 0.022 1.141 53 HD21 LEU 5 3HD2 LEU 5 -2.304 -1.048 3.425 54 HD22 LEU 5 1HD2 LEU 5 -3.676 -2.131 3.764 55 HD23 LEU 5 2HD2 LEU 5 -3.281 -0.831 4.899 56 H SER 6 H SER 6 -2.708 4.167 3.269 57 HA SER 6 HA SER 6 -4.451 5.653 4.929 58 HB2 SER 6 1HB SER 6 -1.929 5.786 4.841 59 HB3 SER 6 2HB SER 6 -2.090 6.746 3.362 60 HG SER 6 HG SER 6 -3.566 8.090 4.753 61 H GLN 7 H GLN 7 -4.306 5.649 1.426 62 HA GLN 7 HA GLN 7 -5.737 8.273 1.322 63 HB2 GLN 7 1HB GLN 7 -4.539 6.501 -0.830 64 HB3 GLN 7 2HB GLN 7 -5.445 7.986 -1.153 65 HG2 GLN 7 1HG GLN 7 -3.790 9.296 0.108 66 HG3 GLN 7 2HG GLN 7 -2.877 7.827 0.453 67 HE21 GLN 7 2HE2 GLN 7 -2.615 6.479 -1.778 68 HE22 GLN 7 1HE2 GLN 7 -1.892 7.443 -3.044 69 H HIS 8 H HIS 8 -6.297 4.895 1.356 70 HA HIS 8 HA HIS 8 -8.813 5.044 -0.202 71 HB2 HIS 8 1HB HIS 8 -7.156 2.916 1.112 72 HB3 HIS 8 2HB HIS 8 -8.890 2.629 1.017 73 HD1 HIS 8 HD1 HIS 8 -6.080 3.679 -1.437 74 HD2 HIS 8 HD2 HIS 8 -9.611 1.404 -1.300 75 HE1 HIS 8 HE1 HIS 8 -6.383 2.630 -3.738 76 H GLU 9 H GLU 9 -10.009 6.581 0.992 77 HA GLU 9 HA GLU 9 -10.080 6.847 3.732 78 HB2 GLU 9 1HB GLU 9 -11.684 7.732 1.508 79 HB3 GLU 9 2HB GLU 9 -12.713 7.406 2.907 80 HG2 GLU 9 1HG GLU 9 -10.232 9.162 2.955 81 HG3 GLU 9 2HG GLU 9 -11.888 9.765 2.787 82 H ARG 10 H ARG 10 -12.055 4.446 1.931 83 HA ARG 10 HA ARG 10 -13.638 3.765 4.226 84 HB2 ARG 10 1HB ARG 10 -12.961 2.253 1.699 85 HB3 ARG 10 2HB ARG 10 -14.007 1.587 2.969 86 HG2 ARG 10 1HG ARG 10 -15.499 3.534 2.778 87 HG3 ARG 10 2HG ARG 10 -14.470 4.207 1.503 88 HD2 ARG 10 1HD ARG 10 -14.959 2.298 0.064 89 HD3 ARG 10 2HD ARG 10 -15.944 1.563 1.352 90 HE ARG 10 HE ARG 10 -16.940 4.157 0.967 91 HH11 ARG 10 1HH1 ARG 10 -16.724 1.204 -0.958 92 HH12 ARG 10 2HH1 ARG 10 -18.146 1.594 -1.886 93 HH21 ARG 10 1HH2 ARG 10 -18.743 4.584 -0.249 94 HH22 ARG 10 2HH2 ARG 10 -19.270 3.478 -1.488 95 H TYR 11 H TYR 11 -10.387 2.696 3.232 96 HA TYR 11 HA TYR 11 -10.238 0.604 5.225 97 HB2 TYR 11 1HB TYR 11 -8.736 0.946 3.185 98 HB3 TYR 11 2HB TYR 11 -7.977 2.277 4.067 99 HD1 TYR 11 HD1 TYR 11 -8.650 -1.358 4.109 100 HD2 TYR 11 HD2 TYR 11 -6.360 1.846 5.809 101 HE1 TYR 11 HE1 TYR 11 -7.231 -2.993 5.256 102 HE2 TYR 11 HE2 TYR 11 -4.891 0.167 6.958 103 HH TYR 11 HH TYR 11 -5.347 -3.355 6.466 104 H VAL 12 H VAL 12 -9.392 4.041 4.959 105 HA VAL 12 HA VAL 12 -8.188 4.337 7.512 106 HB VAL 12 HB VAL 12 -9.635 6.431 5.828 107 HG11 VAL 12 1HG1 VAL 12 -7.467 6.862 7.907 108 HG12 VAL 12 2HG1 VAL 12 -8.361 8.100 7.003 109 HG13 VAL 12 3HG1 VAL 12 -9.190 7.112 8.212 110 HG21 VAL 12 3HG2 VAL 12 -7.793 5.312 4.597 111 HG22 VAL 12 1HG2 VAL 12 -7.397 6.993 4.970 112 HG23 VAL 12 2HG2 VAL 12 -6.685 5.675 5.929 113 H GLU 13 H GLU 13 -11.637 4.488 6.492 114 HA GLU 13 HA GLU 13 -12.721 5.587 8.854 115 HB2 GLU 13 1HB GLU 13 -13.760 3.537 6.902 116 HB3 GLU 13 2HB GLU 13 -14.724 4.061 8.284 117 HG2 GLU 13 1HG GLU 13 -14.823 6.314 7.494 118 HG3 GLU 13 2HG GLU 13 -13.588 6.015 6.270 119 H GLN 14 H GLN 14 -12.079 2.106 8.174 120 HA GLN 14 HA GLN 14 -12.848 1.295 10.844 121 HB2 GLN 14 1HB GLN 14 -11.109 -0.027 8.725 122 HB3 GLN 14 2HB GLN 14 -11.516 -0.783 10.271 123 HG2 GLN 14 1HG GLN 14 -13.469 0.045 8.104 124 HG3 GLN 14 2HG GLN 14 -12.997 -1.605 8.539 125 HE21 GLN 14 2HE2 GLN 14 -13.204 -1.858 11.155 126 HE22 GLN 14 1HE2 GLN 14 -14.779 -1.376 11.750 127 H LEU 15 H LEU 15 -9.764 2.206 9.305 128 HA LEU 15 HA LEU 15 -8.174 1.462 11.572 129 HB2 LEU 15 1HB LEU 15 -7.772 2.998 9.068 130 HB3 LEU 15 2HB LEU 15 -6.634 3.290 10.364 131 HG LEU 15 HG LEU 15 -6.047 1.587 8.532 132 HD11 LEU 15 1HD1 LEU 15 -4.697 2.012 10.501 133 HD12 LEU 15 2HD1 LEU 15 -4.726 0.275 10.137 134 HD13 LEU 15 3HD1 LEU 15 -5.712 0.919 11.472 135 HD21 LEU 15 3HD2 LEU 15 -7.673 -0.262 10.326 136 HD22 LEU 15 1HD2 LEU 15 -6.634 -0.733 8.968 137 HD23 LEU 15 2HD2 LEU 15 -8.104 0.208 8.662 138 H LYS 16 H LYS 16 -10.081 4.350 10.931 139 HA LYS 16 HA LYS 16 -8.732 6.121 12.759 140 HB2 LYS 16 1HB LYS 16 -11.636 5.886 11.889 141 HB3 LYS 16 2HB LYS 16 -11.105 7.112 13.036 142 HG2 LYS 16 1HG LYS 16 -9.809 8.256 11.405 143 HG3 LYS 16 2HG LYS 16 -9.861 6.895 10.291 144 HD2 LYS 16 1HD LYS 16 -12.378 7.204 10.135 145 HD3 LYS 16 2HD LYS 16 -12.190 8.686 11.079 146 HE2 LYS 16 1HE LYS 16 -11.875 9.778 9.129 147 HE3 LYS 16 2HE LYS 16 -10.312 8.958 9.001 148 HZ1 LYS 16 3HZ LYS 16 -11.477 7.162 7.781 149 HZ2 LYS 16 1HZ LYS 16 -11.579 8.608 6.995 150 HZ3 LYS 16 2HZ LYS 16 -12.878 8.029 7.824 151 H GLN 17 H GLN 17 -11.315 3.709 13.120 152 HA GLN 17 HA GLN 17 -11.500 4.118 15.986 153 HB2 GLN 17 1HB GLN 17 -12.466 1.864 14.198 154 HB3 GLN 17 2HB GLN 17 -12.884 2.049 15.905 155 HG2 GLN 17 1HG GLN 17 -13.509 4.217 13.873 156 HG3 GLN 17 2HG GLN 17 -14.580 2.839 14.131 157 HE21 GLN 17 2HE2 GLN 17 -16.260 3.413 15.289 158 HE22 GLN 17 1HE2 GLN 17 -16.229 4.430 16.709 159 H ALA 18 H ALA 18 -9.721 1.877 13.835 160 HA ALA 18 HA ALA 18 -8.885 0.127 15.933 161 HB1 ALA 18 3HB ALA 18 -7.400 0.715 13.350 162 HB2 ALA 18 1HB ALA 18 -7.288 -0.747 14.352 163 HB3 ALA 18 2HB ALA 18 -8.796 -0.385 13.480 164 H LEU 19 H LEU 19 -7.219 3.012 14.500 165 HA LEU 19 HA LEU 19 -4.873 2.796 16.152 166 HB2 LEU 19 1HB LEU 19 -6.184 4.981 14.546 167 HB3 LEU 19 2HB LEU 19 -5.076 5.471 15.818 168 HG LEU 19 HG LEU 19 -3.357 3.927 14.730 169 HD11 LEU 19 1HD1 LEU 19 -5.245 4.221 12.368 170 HD12 LEU 19 2HD1 LEU 19 -4.744 2.702 13.146 171 HD13 LEU 19 3HD1 LEU 19 -3.550 3.683 12.251 172 HD21 LEU 19 3HD2 LEU 19 -4.256 6.437 13.277 173 HD22 LEU 19 1HD2 LEU 19 -2.659 5.664 13.095 174 HD23 LEU 19 2HD2 LEU 19 -3.147 6.356 14.666 175 H LYS 20 H LYS 20 -8.016 4.415 16.545 176 HA LYS 20 HA LYS 20 -7.439 5.718 19.012 177 HB2 LYS 20 1HB LYS 20 -9.311 6.235 17.462 178 HB3 LYS 20 2HB LYS 20 -10.090 4.719 17.913 179 HG2 LYS 20 1HG LYS 20 -10.283 5.533 20.246 180 HG3 LYS 20 2HG LYS 20 -9.565 7.080 19.738 181 HD2 LYS 20 1HD LYS 20 -11.396 7.357 18.084 182 HD3 LYS 20 2HD LYS 20 -12.110 5.828 18.634 183 HE2 LYS 20 1HE LYS 20 -12.362 6.782 20.912 184 HE3 LYS 20 2HE LYS 20 -11.703 8.326 20.325 185 HZ1 LYS 20 3HZ LYS 20 -14.136 8.299 20.313 186 HZ2 LYS 20 1HZ LYS 20 -14.150 7.013 19.277 187 HZ3 LYS 20 2HZ LYS 20 -13.551 8.466 18.779 188 H THR 21 H THR 21 -9.070 2.536 18.427 189 HA THR 21 HA THR 21 -9.498 2.180 21.265 190 HB THR 21 HB THR 21 -10.895 1.123 19.398 191 HG1 THR 21 HG1 THR 21 -9.847 -0.327 21.602 192 HG21 THR 21 1HG2 THR 21 -8.728 -1.013 19.457 193 HG22 THR 21 2HG2 THR 21 -8.938 0.149 18.127 194 HG23 THR 21 3HG2 THR 21 -10.226 -1.009 18.506 195 H ARG 22 H ARG 22 -6.793 1.553 19.173 196 HA ARG 22 HA ARG 22 -5.548 -0.394 20.961 197 HB2 ARG 22 1HB ARG 22 -5.017 -0.260 18.545 198 HB3 ARG 22 2HB ARG 22 -4.419 1.380 18.760 199 HG2 ARG 22 1HG ARG 22 -2.533 -0.109 18.579 200 HG3 ARG 22 2HG ARG 22 -2.603 0.492 20.239 201 HD2 ARG 22 1HD ARG 22 -3.744 -1.595 20.924 202 HD3 ARG 22 2HD ARG 22 -3.593 -2.190 19.258 203 HE ARG 22 HE ARG 22 -1.031 -1.405 20.232 204 HH11 ARG 22 1HH1 ARG 22 -3.386 -3.988 20.710 205 HH12 ARG 22 2HH1 ARG 22 -2.153 -5.157 21.147 206 HH21 ARG 22 1HH2 ARG 22 0.467 -2.940 20.825 207 HH22 ARG 22 2HH2 ARG 22 -0.027 -4.581 21.178 208 H GLY 23 H GLY 23 -5.930 3.062 20.830 209 HA2 GLY 23 1HA GLY 23 -5.337 4.648 22.394 210 HA3 GLY 23 2HA GLY 23 -4.659 3.360 23.407 211 H VAL 24 H VAL 24 -3.524 3.479 20.145 212 HA VAL 24 HA VAL 24 -0.889 4.226 21.212 213 HB VAL 24 HB VAL 24 -0.995 2.188 19.873 214 HG11 VAL 24 1HG1 VAL 24 -1.812 3.871 17.473 215 HG12 VAL 24 2HG1 VAL 24 -1.535 2.118 17.516 216 HG13 VAL 24 3HG1 VAL 24 -2.907 2.823 18.384 217 HG21 VAL 24 3HG2 VAL 24 1.080 3.478 19.847 218 HG22 VAL 24 1HG2 VAL 24 0.828 2.654 18.294 219 HG23 VAL 24 2HG2 VAL 24 0.512 4.396 18.434 220 H LYS 25 H LYS 25 -0.255 6.213 21.247 221 HA LYS 25 HA LYS 25 -1.600 8.251 19.612 222 HB2 LYS 25 1HB LYS 25 0.077 9.778 20.819 223 HB3 LYS 25 2HB LYS 25 -1.179 9.002 21.784 224 HG2 LYS 25 1HG LYS 25 0.426 7.318 22.595 225 HG3 LYS 25 2HG LYS 25 1.705 8.046 21.604 226 HD2 LYS 25 1HD LYS 25 1.423 10.178 22.848 227 HD3 LYS 25 2HD LYS 25 0.196 9.396 23.870 228 HE2 LYS 25 1HE LYS 25 1.885 7.722 24.592 229 HE3 LYS 25 2HE LYS 25 3.108 8.538 23.596 230 HZ1 LYS 25 3HZ LYS 25 3.231 9.239 25.904 231 HZ2 LYS 25 1HZ LYS 25 1.666 9.760 25.884 232 HZ3 LYS 25 2HZ LYS 25 2.802 10.519 24.958 233 H VAL 26 H VAL 26 -1.044 7.533 17.556 234 HA VAL 26 HA VAL 26 1.727 8.256 16.723 235 HB VAL 26 HB VAL 26 1.519 5.747 16.959 236 HG11 VAL 26 1HG1 VAL 26 -0.929 5.643 16.399 237 HG12 VAL 26 2HG1 VAL 26 -0.494 5.900 14.695 238 HG13 VAL 26 3HG1 VAL 26 0.080 4.456 15.559 239 HG21 VAL 26 3HG2 VAL 26 2.448 5.149 14.817 240 HG22 VAL 26 1HG2 VAL 26 1.774 6.599 14.060 241 HG23 VAL 26 2HG2 VAL 26 3.058 6.746 15.283 242 H LYS 27 H LYS 27 1.830 9.060 14.567 243 HA LYS 27 HA LYS 27 -0.621 10.400 13.694 244 HB2 LYS 27 1HB LYS 27 1.711 11.352 13.481 245 HB3 LYS 27 2HB LYS 27 2.070 10.098 12.300 246 HG2 LYS 27 1HG LYS 27 0.324 11.003 10.801 247 HG3 LYS 27 2HG LYS 27 -0.024 12.272 11.996 248 HD2 LYS 27 1HD LYS 27 2.334 13.046 11.824 249 HD3 LYS 27 2HD LYS 27 2.638 11.806 10.589 250 HE2 LYS 27 1HE LYS 27 0.919 12.840 9.131 251 HE3 LYS 27 2HE LYS 27 0.617 14.079 10.370 252 HZ1 LYS 27 3HZ LYS 27 2.917 14.803 10.119 253 HZ2 LYS 27 1HZ LYS 27 2.142 14.875 8.665 254 HZ3 LYS 27 2HZ LYS 27 3.203 13.650 8.975 255 H PHE 28 H PHE 28 -1.905 9.770 11.927 256 HA PHE 28 HA PHE 28 -2.105 7.014 11.313 257 HB2 PHE 28 1HB PHE 28 -3.410 9.482 10.673 258 HB3 PHE 28 2HB PHE 28 -2.987 8.764 9.118 259 HD1 PHE 28 HD2 PHE 28 -3.743 6.379 8.633 260 HD2 PHE 28 HD1 PHE 28 -5.263 8.732 11.891 261 HE1 PHE 28 HE2 PHE 28 -5.739 4.910 8.754 262 HE2 PHE 28 HE1 PHE 28 -7.266 7.289 12.009 263 HZ PHE 28 HZ PHE 28 -7.518 5.386 10.428 264 H ALA 29 H ALA 29 -0.618 9.630 9.367 265 HA ALA 29 HA ALA 29 0.147 7.974 7.201 266 HB1 ALA 29 3HB ALA 29 0.128 10.449 7.101 267 HB2 ALA 29 1HB ALA 29 1.488 10.506 8.254 268 HB3 ALA 29 2HB ALA 29 1.716 9.793 6.642 269 H ASP 30 H ASP 30 1.627 8.523 10.367 270 HA ASP 30 HA ASP 30 4.167 7.314 9.656 271 HB2 ASP 30 1HB ASP 30 3.823 8.970 11.521 272 HB3 ASP 30 2HB ASP 30 2.931 7.723 12.402 273 H LEU 31 H LEU 31 1.125 6.175 11.280 274 HA LEU 31 HA LEU 31 2.221 3.621 11.842 275 HB2 LEU 31 1HB LEU 31 -0.155 4.774 12.467 276 HB3 LEU 31 2HB LEU 31 -0.656 3.591 11.238 277 HG LEU 31 HG LEU 31 0.932 3.036 13.794 278 HD11 LEU 31 1HD1 LEU 31 -1.447 3.428 14.131 279 HD12 LEU 31 2HD1 LEU 31 -1.001 1.756 14.491 280 HD13 LEU 31 3HD1 LEU 31 -1.835 2.142 12.968 281 HD21 LEU 31 3HD2 LEU 31 1.739 1.459 12.164 282 HD22 LEU 31 1HD2 LEU 31 0.086 1.101 11.621 283 HD23 LEU 31 2HD2 LEU 31 0.625 0.613 13.246 284 H LEU 32 H LEU 32 0.122 4.720 9.180 285 HA LEU 32 HA LEU 32 0.311 2.275 7.697 286 HB2 LEU 32 1HB LEU 32 -0.355 5.109 6.972 287 HB3 LEU 32 2HB LEU 32 -0.048 3.952 5.691 288 HG LEU 32 HG LEU 32 -2.401 4.123 6.041 289 HD11 LEU 32 1HD1 LEU 32 -1.573 1.486 7.272 290 HD12 LEU 32 2HD1 LEU 32 -1.491 1.852 5.534 291 HD13 LEU 32 3HD1 LEU 32 -3.058 1.845 6.370 292 HD21 LEU 32 3HD2 LEU 32 -1.970 3.254 8.862 293 HD22 LEU 32 1HD2 LEU 32 -3.503 3.698 8.055 294 HD23 LEU 32 2HD2 LEU 32 -2.244 4.920 8.324 295 H LYS 33 H LYS 33 2.696 4.776 8.070 296 HA LYS 33 HA LYS 33 4.115 4.191 5.623 297 HB2 LYS 33 1HB LYS 33 4.666 6.181 6.961 298 HB3 LYS 33 2HB LYS 33 5.234 5.154 8.279 299 HG2 LYS 33 1HG LYS 33 7.133 6.034 7.062 300 HG3 LYS 33 2HG LYS 33 7.039 4.283 6.850 301 HD2 LYS 33 1HD LYS 33 5.559 5.280 4.673 302 HD3 LYS 33 2HD LYS 33 6.878 6.442 4.832 303 HE2 LYS 33 1HE LYS 33 8.533 4.658 4.667 304 HE3 LYS 33 2HE LYS 33 7.261 3.423 4.709 305 HZ1 LYS 33 3HZ LYS 33 8.084 3.896 2.448 306 HZ2 LYS 33 1HZ LYS 33 7.515 5.439 2.551 307 HZ3 LYS 33 2HZ LYS 33 6.466 4.163 2.581 308 H PHE 34 H PHE 34 4.012 2.556 8.779 309 HA PHE 34 HA PHE 34 6.200 0.774 8.009 310 HB2 PHE 34 1HB PHE 34 4.263 0.836 10.311 311 HB3 PHE 34 2HB PHE 34 5.369 -0.519 10.049 312 HD1 PHE 34 HD2 PHE 34 5.291 3.189 10.538 313 HD2 PHE 34 HD1 PHE 34 7.656 -0.392 10.680 314 HE1 PHE 34 HE2 PHE 34 7.123 4.473 11.595 315 HE2 PHE 34 HE1 PHE 34 9.522 0.890 11.727 316 HZ PHE 34 HZ PHE 34 9.253 3.328 12.189 317 H PHE 35 H PHE 35 2.732 0.854 7.547 318 HA PHE 35 HA PHE 35 2.476 -1.935 6.689 319 HB2 PHE 35 1HB PHE 35 0.834 0.572 6.136 320 HB3 PHE 35 2HB PHE 35 0.474 -0.975 5.393 321 HD1 PHE 35 HD1 PHE 35 1.489 -0.296 8.999 322 HD2 PHE 35 HD2 PHE 35 -1.591 -1.554 6.261 323 HE1 PHE 35 HE1 PHE 35 0.048 -0.929 10.904 324 HE2 PHE 35 HE2 PHE 35 -3.046 -2.155 8.181 325 HZ PHE 35 HZ PHE 35 -2.220 -1.856 10.510 326 H ASP 36 H ASP 36 3.763 1.041 5.388 327 HA ASP 36 HA ASP 36 3.686 0.123 2.605 328 HB2 ASP 36 1HB ASP 36 3.619 2.558 3.634 329 HB3 ASP 36 2HB ASP 36 5.378 2.394 3.624 330 H PHE 37 H PHE 37 5.970 0.310 5.285 331 HA PHE 37 HA PHE 37 8.381 -0.128 3.870 332 HB2 PHE 37 1HB PHE 37 8.144 0.681 6.208 333 HB3 PHE 37 2HB PHE 37 7.648 -0.941 6.707 334 HD1 PHE 37 HD1 PHE 37 10.481 0.864 5.008 335 HD2 PHE 37 HD2 PHE 37 9.267 -2.452 7.465 336 HE1 PHE 37 HE1 PHE 37 12.872 0.254 5.358 337 HE2 PHE 37 HE2 PHE 37 11.656 -3.069 7.819 338 HZ PHE 37 HZ PHE 37 13.462 -1.695 6.780 339 H VAL 38 H VAL 38 5.997 -2.473 5.087 340 HA VAL 38 HA VAL 38 7.643 -4.786 4.780 341 HB VAL 38 HB VAL 38 5.740 -5.284 6.002 342 HG11 VAL 38 1HG1 VAL 38 3.428 -4.685 5.382 343 HG12 VAL 38 2HG1 VAL 38 4.472 -3.291 5.658 344 HG13 VAL 38 3HG1 VAL 38 4.070 -3.786 3.993 345 HG21 VAL 38 3HG2 VAL 38 4.746 -6.138 3.247 346 HG22 VAL 38 1HG2 VAL 38 5.999 -6.996 4.176 347 HG23 VAL 38 2HG2 VAL 38 4.347 -6.879 4.812 348 H LYS 39 H LYS 39 5.789 -2.899 2.404 349 HA LYS 39 HA LYS 39 5.769 -4.896 0.371 350 HB2 LYS 39 1HB LYS 39 4.489 -2.705 0.424 351 HB3 LYS 39 2HB LYS 39 5.959 -1.916 -0.154 352 HG2 LYS 39 1HG LYS 39 5.917 -3.196 -2.207 353 HG3 LYS 39 2HG LYS 39 4.633 -4.244 -1.594 354 HD2 LYS 39 1HD LYS 39 3.070 -2.326 -1.571 355 HD3 LYS 39 2HD LYS 39 4.355 -1.270 -2.194 356 HE2 LYS 39 1HE LYS 39 4.511 -2.631 -4.245 357 HE3 LYS 39 2HE LYS 39 3.295 -3.756 -3.621 358 HZ1 LYS 39 3HZ LYS 39 2.714 -0.894 -4.106 359 HZ2 LYS 39 1HZ LYS 39 1.623 -2.104 -3.827 360 HZ3 LYS 39 2HZ LYS 39 2.469 -2.063 -5.240 361 H ASP 40 H ASP 40 8.374 -2.610 1.263 362 HA ASP 40 HA ASP 40 9.961 -3.256 -1.100 363 HB2 ASP 40 1HB ASP 40 10.383 -1.189 0.175 364 HB3 ASP 40 2HB ASP 40 10.811 -2.146 1.601 365 H THR 41 H THR 41 10.091 -4.258 2.343 366 HA THR 41 HA THR 41 12.314 -6.018 2.000 367 HB THR 41 HB THR 41 10.093 -6.275 4.084 368 HG1 THR 41 HG1 THR 41 10.876 -4.155 4.110 369 HG21 THR 41 1HG2 THR 41 13.058 -6.938 4.159 370 HG22 THR 41 2HG2 THR 41 11.751 -8.123 4.008 371 HG23 THR 41 3HG2 THR 41 11.902 -7.158 5.485 372 H CYS 42 H CYS 42 8.815 -6.487 1.788 373 HA CYS 42 HA CYS 42 9.258 -9.279 0.804 374 HB2 CYS 42 1HB CYS 42 6.878 -8.113 2.289 375 HB3 CYS 42 2HB CYS 42 7.033 -9.775 1.708 376 HG CYS 42 HG CYS 42 8.877 -8.190 3.907 377 HA PRO 43 HA PRO 43 7.256 -6.667 -2.438 378 HB2 PRO 43 1HB PRO 43 8.513 -7.705 -4.620 379 HB3 PRO 43 2HB PRO 43 9.279 -6.462 -3.579 380 HG2 PRO 43 1HG PRO 43 9.633 -9.448 -3.515 381 HG3 PRO 43 2HG PRO 43 10.884 -8.164 -3.574 382 HD2 PRO 43 1HD PRO 43 10.147 -9.331 -1.243 383 HD3 PRO 43 2HD PRO 43 10.548 -7.575 -1.329 384 H TRP 44 H TRP 44 7.602 -10.015 -1.810 385 HA TRP 44 HA TRP 44 5.571 -10.880 -3.733 386 HB2 TRP 44 1HB TRP 44 5.968 -13.059 -2.328 387 HB3 TRP 44 2HB TRP 44 7.193 -12.499 -3.477 388 HD1 TRP 44 HD1 TRP 44 6.478 -11.965 0.305 389 HE1 TRP 44 HE1 TRP 44 8.676 -11.895 1.611 390 HE3 TRP 44 HE3 TRP 44 9.637 -12.431 -3.673 391 HZ2 TRP 44 HZ2 TRP 44 11.459 -11.995 0.986 392 HZ3 TRP 44 HZ3 TRP 44 12.110 -12.413 -3.257 393 HH2 TRP 44 HH2 TRP 44 12.997 -12.196 -0.933 394 H PHE 45 H PHE 45 5.561 -9.577 -0.522 395 HA PHE 45 HA PHE 45 3.452 -11.193 0.548 396 HB2 PHE 45 1HB PHE 45 4.916 -9.867 1.963 397 HB3 PHE 45 2HB PHE 45 4.274 -8.370 1.282 398 HD1 PHE 45 HD2 PHE 45 3.315 -11.428 3.225 399 HD2 PHE 45 HD1 PHE 45 2.313 -7.373 2.176 400 HE1 PHE 45 HE2 PHE 45 1.508 -11.434 4.936 401 HE2 PHE 45 HE1 PHE 45 0.505 -7.377 3.883 402 HZ PHE 45 HZ PHE 45 0.094 -9.405 5.269 403 HA PRO 46 HA PRO 46 0.320 -7.989 -0.658 404 HB2 PRO 46 1HB PRO 46 0.627 -6.451 -2.911 405 HB3 PRO 46 2HB PRO 46 1.095 -5.893 -1.275 406 HG2 PRO 46 1HG PRO 46 2.822 -7.121 -3.400 407 HG3 PRO 46 2HG PRO 46 3.082 -5.622 -2.466 408 HD2 PRO 46 1HD PRO 46 4.268 -7.912 -1.768 409 HD3 PRO 46 2HD PRO 46 3.622 -6.798 -0.515 410 H GLN 47 H GLN 47 2.348 -9.533 -3.078 411 HA GLN 47 HA GLN 47 0.233 -10.157 -4.918 412 HB2 GLN 47 1HB GLN 47 3.102 -10.893 -4.565 413 HB3 GLN 47 2HB GLN 47 2.097 -12.015 -5.488 414 HG2 GLN 47 1HG GLN 47 3.074 -10.528 -7.072 415 HG3 GLN 47 2HG GLN 47 1.371 -10.075 -6.938 416 HE21 GLN 47 2HE2 GLN 47 4.584 -8.999 -6.801 417 HE22 GLN 47 1HE2 GLN 47 4.272 -7.389 -6.212 418 H GLU 48 H GLU 48 1.056 -11.475 -1.828 419 HA GLU 48 HA GLU 48 0.036 -14.152 -2.333 420 HB2 GLU 48 1HB GLU 48 0.234 -12.567 0.266 421 HB3 GLU 48 2HB GLU 48 -0.188 -14.274 0.141 422 HG2 GLU 48 1HG GLU 48 2.054 -14.666 -0.970 423 HG3 GLU 48 2HG GLU 48 2.460 -12.995 -0.577 424 H GLY 49 H GLY 49 -1.319 -10.982 -1.803 425 HA2 GLY 49 1HA GLY 49 -3.456 -10.195 -1.815 426 HA3 GLY 49 2HA GLY 49 -3.853 -11.622 -2.760 427 H THR 50 H THR 50 -2.690 -12.181 0.435 428 HA THR 50 HA THR 50 -5.455 -12.583 1.471 429 HB THR 50 HB THR 50 -3.194 -14.619 1.537 430 HG1 THR 50 HG1 THR 50 -4.277 -14.374 -0.517 431 HG21 THR 50 1HG2 THR 50 -5.049 -16.143 2.368 432 HG22 THR 50 2HG2 THR 50 -6.047 -14.690 2.589 433 HG23 THR 50 3HG2 THR 50 -4.537 -14.887 3.520 434 H ILE 51 H ILE 51 -5.595 -12.151 3.669 435 HA ILE 51 HA ILE 51 -2.996 -11.423 4.982 436 HB ILE 51 HB ILE 51 -5.793 -10.418 5.582 437 HG12 ILE 51 1HG1 ILE 51 -4.917 -9.478 3.497 438 HG13 ILE 51 2HG1 ILE 51 -5.049 -8.291 4.771 439 HG21 ILE 51 1HG2 ILE 51 -4.460 -10.501 7.633 440 HG22 ILE 51 2HG2 ILE 51 -3.088 -9.705 6.827 441 HG23 ILE 51 3HG2 ILE 51 -4.607 -8.817 7.102 442 HD11 ILE 51 3HD1 ILE 51 -2.671 -8.207 5.076 443 HD12 ILE 51 1HD1 ILE 51 -2.437 -9.584 3.963 444 HD13 ILE 51 2HD1 ILE 51 -3.039 -8.037 3.349 445 H ASP 52 H ASP 52 -2.340 -12.832 6.317 446 HA ASP 52 HA ASP 52 -4.166 -14.037 8.288 447 HB2 ASP 52 1HB ASP 52 -4.187 -15.641 6.360 448 HB3 ASP 52 2HB ASP 52 -2.422 -15.725 6.482 449 H ILE 53 H ILE 53 -2.965 -14.984 10.008 450 HA ILE 53 HA ILE 53 -0.641 -13.451 10.604 451 HB ILE 53 HB ILE 53 -2.359 -14.312 12.176 452 HG12 ILE 53 1HG1 ILE 53 -0.774 -14.834 14.033 453 HG13 ILE 53 2HG1 ILE 53 0.501 -15.066 12.847 454 HG21 ILE 53 1HG2 ILE 53 -0.919 -16.986 11.966 455 HG22 ILE 53 2HG2 ILE 53 -2.233 -16.576 13.090 456 HG23 ILE 53 3HG2 ILE 53 -2.554 -16.634 11.346 457 HD11 ILE 53 3HD1 ILE 53 0.547 -12.867 14.048 458 HD12 ILE 53 1HD1 ILE 53 0.544 -12.747 12.278 459 HD13 ILE 53 2HD1 ILE 53 -0.951 -12.441 13.198 460 H LYS 54 H LYS 54 -1.053 -16.677 9.186 461 HA LYS 54 HA LYS 54 1.650 -17.543 9.691 462 HB2 LYS 54 1HB LYS 54 -0.201 -18.263 7.391 463 HB3 LYS 54 2HB LYS 54 1.253 -19.153 7.862 464 HG2 LYS 54 1HG LYS 54 0.225 -19.769 10.003 465 HG3 LYS 54 2HG LYS 54 -1.185 -18.765 9.641 466 HD2 LYS 54 1HD LYS 54 -1.387 -20.245 7.485 467 HD3 LYS 54 2HD LYS 54 -0.355 -21.376 8.381 468 HE2 LYS 54 1HE LYS 54 -2.577 -22.054 8.885 469 HE3 LYS 54 2HE LYS 54 -2.062 -21.127 10.309 470 HZ1 LYS 54 3HZ LYS 54 -4.197 -20.322 9.749 471 HZ2 LYS 54 1HZ LYS 54 -3.874 -20.254 8.133 472 HZ3 LYS 54 2HZ LYS 54 -3.182 -19.162 9.146 473 H ARG 55 H ARG 55 0.114 -15.585 7.157 474 HA ARG 55 HA ARG 55 2.554 -15.467 5.554 475 HB2 ARG 55 1HB ARG 55 0.037 -13.767 5.445 476 HB3 ARG 55 2HB ARG 55 1.296 -13.862 4.203 477 HG2 ARG 55 1HG ARG 55 0.770 -16.261 3.861 478 HG3 ARG 55 2HG ARG 55 -0.496 -16.159 5.100 479 HD2 ARG 55 1HD ARG 55 -1.582 -14.367 3.758 480 HD3 ARG 55 2HD ARG 55 -0.401 -14.653 2.478 481 HE ARG 55 HE ARG 55 -2.674 -16.342 3.241 482 HH11 ARG 55 1HH1 ARG 55 0.308 -16.204 1.323 483 HH12 ARG 55 2HH1 ARG 55 -0.275 -17.428 0.217 484 HH21 ARG 55 1HH2 ARG 55 -3.303 -17.888 1.795 485 HH22 ARG 55 2HH2 ARG 55 -2.255 -18.371 0.493 486 H TRP 56 H TRP 56 0.907 -13.395 7.957 487 HA TRP 56 HA TRP 56 2.694 -11.178 7.650 488 HB2 TRP 56 1HB TRP 56 0.460 -11.152 8.783 489 HB3 TRP 56 2HB TRP 56 1.191 -12.005 10.151 490 HD1 TRP 56 HD1 TRP 56 1.983 -10.409 12.011 491 HE1 TRP 56 HE1 TRP 56 2.752 -7.992 12.249 492 HE3 TRP 56 HE3 TRP 56 1.788 -9.138 7.067 493 HZ2 TRP 56 HZ2 TRP 56 3.242 -5.790 10.506 494 HZ3 TRP 56 HZ3 TRP 56 2.465 -6.829 6.393 495 HH2 TRP 56 HH2 TRP 56 3.175 -5.167 8.115 496 H ARG 57 H ARG 57 2.959 -14.203 9.481 497 HA ARG 57 HA ARG 57 5.165 -13.396 11.120 498 HB2 ARG 57 1HB ARG 57 4.145 -16.044 10.157 499 HB3 ARG 57 2HB ARG 57 5.646 -15.929 11.095 500 HG2 ARG 57 1HG ARG 57 4.557 -15.131 13.009 501 HG3 ARG 57 2HG ARG 57 3.142 -14.579 12.099 502 HD2 ARG 57 1HD ARG 57 2.515 -16.901 11.637 503 HD3 ARG 57 2HD ARG 57 3.919 -17.458 12.567 504 HE ARG 57 HE ARG 57 2.275 -15.659 14.116 505 HH11 ARG 57 1HH1 ARG 57 2.329 -19.008 13.021 506 HH12 ARG 57 2HH1 ARG 57 1.222 -19.527 14.264 507 HH21 ARG 57 1HH2 ARG 57 0.823 -16.387 15.660 508 HH22 ARG 57 2HH2 ARG 57 0.408 -18.071 15.739 509 H ARG 58 H ARG 58 5.021 -14.797 7.868 510 HA ARG 58 HA ARG 58 7.790 -15.044 7.367 511 HB2 ARG 58 1HB ARG 58 5.687 -14.043 5.423 512 HB3 ARG 58 2HB ARG 58 7.288 -14.626 5.004 513 HG2 ARG 58 1HG ARG 58 6.700 -16.859 5.878 514 HG3 ARG 58 2HG ARG 58 5.067 -16.266 6.246 515 HD2 ARG 58 1HD ARG 58 5.024 -17.400 4.104 516 HD3 ARG 58 2HD ARG 58 4.774 -15.665 3.846 517 HE ARG 58 HE ARG 58 7.435 -16.990 3.485 518 HH11 ARG 58 1HH1 ARG 58 4.948 -14.772 2.216 519 HH12 ARG 58 2HH1 ARG 58 5.957 -14.317 0.878 520 HH21 ARG 58 1HH2 ARG 58 8.625 -16.326 1.744 521 HH22 ARG 58 2HH2 ARG 58 7.982 -15.163 0.617 522 H VAL 59 H VAL 59 5.810 -12.101 7.445 523 HA VAL 59 HA VAL 59 7.719 -10.430 6.091 524 HB VAL 59 HB VAL 59 5.593 -9.650 8.136 525 HG11 VAL 59 1HG1 VAL 59 7.209 -7.875 7.779 526 HG12 VAL 59 2HG1 VAL 59 7.016 -8.014 6.022 527 HG13 VAL 59 3HG1 VAL 59 5.660 -7.455 7.035 528 HG21 VAL 59 3HG2 VAL 59 5.463 -9.919 5.123 529 HG22 VAL 59 1HG2 VAL 59 4.574 -10.872 6.334 530 HG23 VAL 59 2HG2 VAL 59 4.213 -9.153 6.129 531 H GLY 60 H GLY 60 7.142 -11.312 9.482 532 HA2 GLY 60 1HA GLY 60 9.065 -9.446 10.536 533 HA3 GLY 60 2HA GLY 60 8.365 -10.852 11.361 534 H ASP 61 H ASP 61 9.144 -12.856 9.514 535 HA ASP 61 HA ASP 61 11.823 -13.422 10.326 536 HB2 ASP 61 1HB ASP 61 10.301 -14.474 7.897 537 HB3 ASP 61 2HB ASP 61 11.737 -15.212 8.618 538 H CYS 62 H CYS 62 10.395 -11.997 7.403 539 HA CYS 62 HA CYS 62 12.805 -11.727 5.899 540 HB2 CYS 62 1HB CYS 62 10.048 -11.058 5.648 541 HB3 CYS 62 2HB CYS 62 10.966 -9.586 5.375 542 HG CYS 62 HG CYS 62 10.753 -10.216 3.059 543 H PHE 63 H PHE 63 11.197 -9.466 8.230 544 HA PHE 63 HA PHE 63 13.025 -7.305 7.702 545 HB2 PHE 63 1HB PHE 63 11.551 -8.019 10.261 546 HB3 PHE 63 2HB PHE 63 12.469 -6.539 10.026 547 HD1 PHE 63 HD2 PHE 63 11.655 -5.861 7.167 548 HD2 PHE 63 HD1 PHE 63 9.363 -7.125 10.586 549 HE1 PHE 63 HE2 PHE 63 9.666 -4.688 6.259 550 HE2 PHE 63 HE1 PHE 63 7.375 -5.921 9.692 551 HZ PHE 63 HZ PHE 63 7.520 -4.708 7.522 552 H GLN 64 H GLN 64 13.156 -10.162 9.829 553 HA GLN 64 HA GLN 64 15.459 -9.308 11.292 554 HB2 GLN 64 1HB GLN 64 13.854 -11.247 11.802 555 HB3 GLN 64 2HB GLN 64 14.745 -12.173 10.594 556 HG2 GLN 64 1HG GLN 64 15.914 -12.845 12.412 557 HG3 GLN 64 2HG GLN 64 16.828 -11.366 12.092 558 HE21 GLN 64 2HE2 GLN 64 16.145 -12.959 14.585 559 HE22 GLN 64 1HE2 GLN 64 15.519 -11.760 15.689 560 H ASP 65 H ASP 65 15.057 -11.218 8.288 561 HA ASP 65 HA ASP 65 17.831 -11.766 7.866 562 HB2 ASP 65 1HB ASP 65 15.761 -12.750 6.752 563 HB3 ASP 65 2HB ASP 65 15.718 -11.320 5.729 564 H TYR 66 H TYR 66 15.697 -9.173 6.694 565 HA TYR 66 HA TYR 66 17.616 -7.841 5.076 566 HB2 TYR 66 1HB TYR 66 15.008 -7.683 5.358 567 HB3 TYR 66 2HB TYR 66 15.367 -6.454 6.550 568 HD1 TYR 66 HD1 TYR 66 17.383 -6.831 3.401 569 HD2 TYR 66 HD2 TYR 66 14.138 -4.734 5.315 570 HE1 TYR 66 HE1 TYR 66 17.307 -5.198 1.521 571 HE2 TYR 66 HE2 TYR 66 14.069 -3.122 3.415 572 HH TYR 66 HH TYR 66 14.780 -2.713 1.242 573 H PHE 67 H PHE 67 16.761 -7.623 8.519 574 HA PHE 67 HA PHE 67 18.465 -5.329 9.085 575 HB2 PHE 67 1HB PHE 67 16.575 -6.051 10.523 576 HB3 PHE 67 2HB PHE 67 17.454 -7.529 10.928 577 HD1 PHE 67 HD1 PHE 67 19.521 -7.422 12.337 578 HD2 PHE 67 HD2 PHE 67 17.101 -3.947 11.583 579 HE1 PHE 67 HE1 PHE 67 20.619 -6.244 14.235 580 HE2 PHE 67 HE2 PHE 67 18.174 -2.769 13.480 581 HZ PHE 67 HZ PHE 67 19.947 -3.911 14.814 582 H ASN 68 H ASN 68 18.935 -8.895 9.289 583 HA ASN 68 HA ASN 68 21.524 -8.692 10.524 584 HB2 ASN 68 1HB ASN 68 20.248 -10.874 8.824 585 HB3 ASN 68 2HB ASN 68 21.818 -11.043 9.619 586 HD21 ASN 68 2HD2 ASN 68 19.415 -12.599 10.015 587 HD22 ASN 68 1HD2 ASN 68 19.018 -12.435 11.708 588 H THR 69 H THR 69 20.430 -8.648 7.160 589 HA THR 69 HA THR 69 23.087 -9.005 6.071 590 HB THR 69 HB THR 69 20.597 -7.875 4.702 591 HG1 THR 69 HG1 THR 69 20.138 -9.919 5.549 592 HG21 THR 69 1HG2 THR 69 21.646 -8.865 2.672 593 HG22 THR 69 2HG2 THR 69 23.086 -9.269 3.632 594 HG23 THR 69 3HG2 THR 69 22.638 -7.567 3.369 595 H PHE 70 H PHE 70 21.022 -6.122 6.681 596 HA PHE 70 HA PHE 70 23.310 -4.464 5.679 597 HB2 PHE 70 1HB PHE 70 20.346 -3.894 5.615 598 HB3 PHE 70 2HB PHE 70 21.622 -2.829 5.006 599 HD1 PHE 70 HD2 PHE 70 23.198 -3.816 3.174 600 HD2 PHE 70 HD1 PHE 70 19.348 -5.451 4.178 601 HE1 PHE 70 HE2 PHE 70 23.102 -4.935 0.952 602 HE2 PHE 70 HE1 PHE 70 19.241 -6.576 1.956 603 HZ PHE 70 HZ PHE 70 21.119 -6.316 0.335 604 H GLY 71 H GLY 71 21.918 -5.216 8.601 605 HA2 GLY 71 1HA GLY 71 22.366 -4.221 10.627 606 HA3 GLY 71 2HA GLY 71 23.150 -2.881 9.787 607 HA PRO 72 HA PRO 72 19.101 -1.534 11.679 608 HB2 PRO 72 1HB PRO 72 20.049 0.453 13.286 609 HB3 PRO 72 2HB PRO 72 20.066 -1.270 13.786 610 HG2 PRO 72 1HG PRO 72 22.277 0.350 12.546 611 HG3 PRO 72 2HG PRO 72 22.310 -0.640 14.041 612 HD2 PRO 72 1HD PRO 72 23.203 -1.623 11.697 613 HD3 PRO 72 2HD PRO 72 22.275 -2.662 12.837 614 H GLU 73 H GLU 73 21.672 -0.073 9.916 615 HA GLU 73 HA GLU 73 20.564 2.533 9.497 616 HB2 GLU 73 1HB GLU 73 22.341 0.884 7.654 617 HB3 GLU 73 2HB GLU 73 22.130 2.639 7.623 618 HG2 GLU 73 1HG GLU 73 23.446 0.983 9.805 619 HG3 GLU 73 2HG GLU 73 24.246 2.083 8.675 620 H LYS 74 H LYS 74 19.882 -0.638 8.182 621 HA LYS 74 HA LYS 74 18.287 0.590 5.989 622 HB2 LYS 74 1HB LYS 74 19.924 -1.692 6.187 623 HB3 LYS 74 2HB LYS 74 18.275 -2.294 5.991 624 HG2 LYS 74 1HG LYS 74 19.598 -0.246 4.177 625 HG3 LYS 74 2HG LYS 74 19.514 -1.983 3.846 626 HD2 LYS 74 1HD LYS 74 17.027 -1.858 3.886 627 HD3 LYS 74 2HD LYS 74 17.133 -0.109 4.162 628 HE2 LYS 74 1HE LYS 74 16.746 -0.494 1.812 629 HE3 LYS 74 2HE LYS 74 18.397 0.127 2.034 630 HZ1 LYS 74 3HZ LYS 74 17.611 -2.691 1.576 631 HZ2 LYS 74 1HZ LYS 74 19.154 -2.213 1.928 632 HZ3 LYS 74 2HZ LYS 74 18.431 -1.716 0.528 633 H VAL 75 H VAL 75 17.925 -1.477 8.881 634 HA VAL 75 HA VAL 75 14.973 -1.059 8.538 635 HB VAL 75 HB VAL 75 16.369 -3.508 9.738 636 HG11 VAL 75 1HG1 VAL 75 14.247 -3.078 10.870 637 HG12 VAL 75 2HG1 VAL 75 13.409 -2.926 9.308 638 HG13 VAL 75 3HG1 VAL 75 14.078 -4.494 9.821 639 HG21 VAL 75 3HG2 VAL 75 16.619 -3.620 7.357 640 HG22 VAL 75 1HG2 VAL 75 15.343 -4.751 7.836 641 HG23 VAL 75 2HG2 VAL 75 14.913 -3.191 7.101 642 HA PRO 76 HA PRO 76 15.998 0.540 12.563 643 HB2 PRO 76 1HB PRO 76 13.622 1.565 13.364 644 HB3 PRO 76 2HB PRO 76 14.579 2.330 12.069 645 HG2 PRO 76 1HG PRO 76 12.225 0.505 11.838 646 HG3 PRO 76 2HG PRO 76 12.547 2.041 10.985 647 HD2 PRO 76 1HD PRO 76 13.038 -0.439 9.893 648 HD3 PRO 76 2HD PRO 76 13.980 1.032 9.466 649 H VAL 77 H VAL 77 15.712 -0.153 14.772 650 HA VAL 77 HA VAL 77 14.651 -2.792 15.081 651 HB VAL 77 HB VAL 77 15.042 -2.457 17.513 652 HG11 VAL 77 1HG1 VAL 77 17.475 -2.201 17.369 653 HG12 VAL 77 2HG1 VAL 77 16.885 -3.146 15.986 654 HG13 VAL 77 3HG1 VAL 77 17.334 -1.437 15.770 655 HG21 VAL 77 3HG2 VAL 77 16.038 -0.357 18.337 656 HG22 VAL 77 1HG2 VAL 77 15.856 0.388 16.738 657 HG23 VAL 77 2HG2 VAL 77 14.417 -0.058 17.689 658 H THR 78 H THR 78 13.145 0.342 15.201 659 HA THR 78 HA THR 78 10.901 -0.512 16.818 660 HB THR 78 HB THR 78 11.635 1.924 16.377 661 HG1 THR 78 HG1 THR 78 9.796 1.624 17.515 662 HG21 THR 78 1HG2 THR 78 10.663 3.105 14.568 663 HG22 THR 78 2HG2 THR 78 9.765 1.674 14.033 664 HG23 THR 78 3HG2 THR 78 11.531 1.733 13.865 665 H ALA 79 H ALA 79 11.802 -1.014 13.474 666 HA ALA 79 HA ALA 79 9.148 -1.237 12.416 667 HB1 ALA 79 3HB ALA 79 11.719 -2.658 11.634 668 HB2 ALA 79 1HB ALA 79 10.218 -2.659 10.677 669 HB3 ALA 79 2HB ALA 79 11.089 -1.138 10.961 670 H PHE 80 H PHE 80 11.222 -3.487 14.228 671 HA PHE 80 HA PHE 80 9.480 -5.762 13.891 672 HB2 PHE 80 1HB PHE 80 11.498 -5.114 16.071 673 HB3 PHE 80 2HB PHE 80 10.763 -6.696 15.787 674 HD1 PHE 80 HD1 PHE 80 11.426 -8.077 13.883 675 HD2 PHE 80 HD2 PHE 80 13.223 -4.232 14.565 676 HE1 PHE 80 HE1 PHE 80 13.238 -8.647 12.293 677 HE2 PHE 80 HE2 PHE 80 15.046 -4.785 12.970 678 HZ PHE 80 HZ PHE 80 15.053 -7.007 11.828 679 H SER 81 H SER 81 9.580 -3.030 16.096 680 HA SER 81 HA SER 81 7.779 -4.194 18.067 681 HB2 SER 81 1HB SER 81 9.385 -2.369 18.618 682 HB3 SER 81 2HB SER 81 8.491 -1.276 17.541 683 HG SER 81 HG SER 81 7.506 -2.556 19.883 684 H TYR 82 H TYR 82 7.521 -1.855 15.379 685 HA TYR 82 HA TYR 82 4.705 -1.430 15.503 686 HB2 TYR 82 1HB TYR 82 6.883 -1.184 13.463 687 HB3 TYR 82 2HB TYR 82 5.232 -1.292 12.849 688 HD1 TYR 82 HD2 TYR 82 3.542 0.406 13.416 689 HD2 TYR 82 HD1 TYR 82 7.655 0.869 14.635 690 HE1 TYR 82 HE2 TYR 82 3.170 2.845 13.812 691 HE2 TYR 82 HE1 TYR 82 7.258 3.297 15.018 692 HH TYR 82 HH TYR 82 5.749 5.081 14.659 693 H TRP 83 H TRP 83 6.703 -3.831 13.755 694 HA TRP 83 HA TRP 83 4.628 -5.135 12.372 695 HB2 TRP 83 1HB TRP 83 6.995 -5.527 11.920 696 HB3 TRP 83 2HB TRP 83 7.235 -6.161 13.540 697 HD1 TRP 83 HD1 TRP 83 5.584 -7.191 10.223 698 HE1 TRP 83 HE1 TRP 83 5.229 -9.713 10.186 699 HE3 TRP 83 HE3 TRP 83 7.073 -8.170 15.013 700 HZ2 TRP 83 HZ2 TRP 83 5.537 -11.858 12.014 701 HZ3 TRP 83 HZ3 TRP 83 7.035 -10.534 15.820 702 HH2 TRP 83 HH2 TRP 83 6.268 -12.368 14.311 703 H ASN 84 H ASN 84 5.854 -5.669 15.682 704 HA ASN 84 HA ASN 84 4.354 -8.041 16.197 705 HB2 ASN 84 1HB ASN 84 5.820 -6.015 17.806 706 HB3 ASN 84 2HB ASN 84 4.566 -6.925 18.661 707 HD21 ASN 84 2HD2 ASN 84 7.738 -6.984 17.394 708 HD22 ASN 84 1HD2 ASN 84 8.097 -8.648 17.801 709 H LEU 85 H LEU 85 3.479 -4.617 16.291 710 HA LEU 85 HA LEU 85 1.134 -4.919 17.927 711 HB2 LEU 85 1HB LEU 85 2.439 -2.823 17.368 712 HB3 LEU 85 2HB LEU 85 1.701 -2.840 15.780 713 HG LEU 85 HG LEU 85 0.061 -2.640 18.305 714 HD11 LEU 85 1HD1 LEU 85 1.743 -0.845 18.316 715 HD12 LEU 85 2HD1 LEU 85 0.130 -0.180 17.981 716 HD13 LEU 85 3HD1 LEU 85 1.296 -0.395 16.654 717 HD21 LEU 85 3HD2 LEU 85 -0.465 -1.860 15.411 718 HD22 LEU 85 1HD2 LEU 85 -1.522 -1.435 16.776 719 HD23 LEU 85 2HD2 LEU 85 -1.279 -3.133 16.349 720 H ILE 86 H ILE 86 1.698 -4.951 14.377 721 HA ILE 86 HA ILE 86 -1.118 -5.373 13.834 722 HB ILE 86 HB ILE 86 1.268 -5.843 12.020 723 HG12 ILE 86 1HG1 ILE 86 -0.307 -3.578 11.289 724 HG13 ILE 86 2HG1 ILE 86 0.009 -3.433 13.017 725 HG21 ILE 86 1HG2 ILE 86 -1.736 -5.673 11.497 726 HG22 ILE 86 2HG2 ILE 86 -0.497 -5.555 10.217 727 HG23 ILE 86 3HG2 ILE 86 -0.655 -7.045 11.165 728 HD11 ILE 86 3HD1 ILE 86 2.443 -3.877 12.471 729 HD12 ILE 86 1HD1 ILE 86 2.001 -3.637 10.765 730 HD13 ILE 86 2HD1 ILE 86 1.778 -2.318 11.940 731 H LYS 87 H LYS 87 1.678 -7.426 14.480 732 HA LYS 87 HA LYS 87 0.602 -9.870 13.507 733 HB2 LYS 87 1HB LYS 87 2.752 -10.283 14.061 734 HB3 LYS 87 2HB LYS 87 2.779 -8.994 15.249 735 HG2 LYS 87 1HG LYS 87 1.690 -10.499 16.899 736 HG3 LYS 87 2HG LYS 87 1.776 -11.811 15.711 737 HD2 LYS 87 1HD LYS 87 4.175 -11.749 15.743 738 HD3 LYS 87 2HD LYS 87 4.166 -10.218 16.637 739 HE2 LYS 87 1HE LYS 87 3.007 -11.396 18.533 740 HE3 LYS 87 2HE LYS 87 3.275 -12.930 17.674 741 HZ1 LYS 87 3HZ LYS 87 5.401 -11.035 18.520 742 HZ2 LYS 87 1HZ LYS 87 5.653 -12.490 17.777 743 HZ3 LYS 87 2HZ LYS 87 5.022 -12.442 19.302 744 H GLU 88 H GLU 88 0.267 -8.322 16.775 745 HA GLU 88 HA GLU 88 -1.421 -10.514 17.640 746 HB2 GLU 88 1HB GLU 88 -1.912 -9.120 19.597 747 HB3 GLU 88 2HB GLU 88 -0.183 -9.276 19.279 748 HG2 GLU 88 1HG GLU 88 -0.182 -7.049 18.242 749 HG3 GLU 88 2HG GLU 88 -1.898 -6.870 18.636 750 H LEU 89 H LEU 89 -2.033 -7.465 15.955 751 HA LEU 89 HA LEU 89 -4.855 -7.421 16.415 752 HB2 LEU 89 1HB LEU 89 -3.121 -6.333 14.210 753 HB3 LEU 89 2HB LEU 89 -4.867 -6.210 14.147 754 HG LEU 89 HG LEU 89 -3.161 -5.045 16.367 755 HD11 LEU 89 1HD1 LEU 89 -2.710 -3.941 14.220 756 HD12 LEU 89 2HD1 LEU 89 -3.637 -2.870 15.285 757 HD13 LEU 89 3HD1 LEU 89 -4.451 -3.713 13.950 758 HD21 LEU 89 3HD2 LEU 89 -5.431 -5.488 17.141 759 HD22 LEU 89 1HD2 LEU 89 -6.112 -4.704 15.697 760 HD23 LEU 89 2HD2 LEU 89 -5.221 -3.745 16.900 761 H ILE 90 H ILE 90 -2.887 -9.063 13.905 762 HA ILE 90 HA ILE 90 -5.308 -10.110 12.627 763 HB ILE 90 HB ILE 90 -2.423 -11.063 12.284 764 HG12 ILE 90 1HG1 ILE 90 -3.975 -9.219 10.432 765 HG13 ILE 90 2HG1 ILE 90 -2.901 -8.604 11.688 766 HG21 ILE 90 1HG2 ILE 90 -4.935 -11.454 10.561 767 HG22 ILE 90 2HG2 ILE 90 -3.303 -12.009 10.122 768 HG23 ILE 90 3HG2 ILE 90 -4.132 -12.717 11.518 769 HD11 ILE 90 3HD1 ILE 90 -0.996 -9.860 10.670 770 HD12 ILE 90 1HD1 ILE 90 -2.069 -10.384 9.351 771 HD13 ILE 90 2HD1 ILE 90 -1.700 -8.660 9.566 772 H ASP 91 H ASP 91 -2.821 -11.318 14.911 773 HA ASP 91 HA ASP 91 -3.637 -14.045 14.917 774 HB2 ASP 91 1HB ASP 91 -1.530 -13.007 15.901 775 HB3 ASP 91 2HB ASP 91 -2.510 -12.517 17.290 776 H LYS 92 H LYS 92 -4.908 -11.205 16.603 777 HA LYS 92 HA LYS 92 -7.027 -12.970 17.766 778 HB2 LYS 92 1HB LYS 92 -5.865 -10.361 18.772 779 HB3 LYS 92 2HB LYS 92 -7.323 -11.098 19.441 780 HG2 LYS 92 1HG LYS 92 -4.711 -12.622 19.294 781 HG3 LYS 92 2HG LYS 92 -5.105 -11.561 20.655 782 HD2 LYS 92 1HD LYS 92 -6.742 -12.942 21.468 783 HD3 LYS 92 2HD LYS 92 -7.221 -13.526 19.870 784 HE2 LYS 92 1HE LYS 92 -4.570 -14.315 21.112 785 HE3 LYS 92 2HE LYS 92 -6.075 -15.196 21.457 786 HZ1 LYS 92 3HZ LYS 92 -4.899 -14.812 18.757 787 HZ2 LYS 92 1HZ LYS 92 -6.329 -15.588 19.079 788 HZ3 LYS 92 2HZ LYS 92 -4.899 -16.211 19.624 789 H LYS 93 H LYS 93 -7.009 -11.858 15.024 790 HA LYS 93 HA LYS 93 -8.896 -9.679 14.934 791 HB2 LYS 93 1HB LYS 93 -9.216 -10.179 12.634 792 HB3 LYS 93 2HB LYS 93 -7.506 -10.411 13.002 793 HG2 LYS 93 1HG LYS 93 -7.936 -12.887 13.136 794 HG3 LYS 93 2HG LYS 93 -9.602 -12.580 12.613 795 HD2 LYS 93 1HD LYS 93 -8.787 -11.570 10.532 796 HD3 LYS 93 2HD LYS 93 -7.112 -11.772 11.073 797 HE2 LYS 93 1HE LYS 93 -7.613 -13.545 9.519 798 HE3 LYS 93 2HE LYS 93 -7.463 -14.246 11.143 799 HZ1 LYS 93 3HZ LYS 93 -9.886 -14.261 11.284 800 HZ2 LYS 93 1HZ LYS 93 -9.384 -15.123 9.970 801 HZ3 LYS 93 2HZ LYS 93 -10.019 -13.614 9.772 802 H GLU 94 H GLU 94 -9.135 -12.969 15.734 803 HA GLU 94 HA GLU 94 -11.805 -13.632 15.068 804 HB2 GLU 94 1HB GLU 94 -11.470 -15.228 17.085 805 HB3 GLU 94 2HB GLU 94 -10.394 -15.393 15.690 806 HG2 GLU 94 1HG GLU 94 -8.629 -14.117 16.872 807 HG3 GLU 94 2HG GLU 94 -9.693 -13.917 18.268 808 H VAL 95 H VAL 95 -10.501 -11.758 17.793 809 HA VAL 95 HA VAL 95 -13.296 -11.519 18.853 810 HB VAL 95 HB VAL 95 -12.239 -11.000 21.056 811 HG11 VAL 95 1HG1 VAL 95 -11.327 -13.675 19.906 812 HG12 VAL 95 2HG1 VAL 95 -11.599 -13.291 21.620 813 HG13 VAL 95 3HG1 VAL 95 -12.967 -13.314 20.488 814 HG21 VAL 95 3HG2 VAL 95 -9.614 -11.862 19.744 815 HG22 VAL 95 1HG2 VAL 95 -10.029 -10.187 20.179 816 HG23 VAL 95 2HG2 VAL 95 -9.859 -11.417 21.444 817 H ASN 96 H ASN 96 -11.352 -9.993 16.861 818 HA ASN 96 HA ASN 96 -12.029 -7.292 17.953 819 HB2 ASN 96 1HB ASN 96 -9.585 -7.862 18.092 820 HB3 ASN 96 2HB ASN 96 -9.560 -7.988 16.333 821 HD21 ASN 96 2HD2 ASN 96 -8.177 -6.156 18.186 822 HD22 ASN 96 1HD2 ASN 96 -8.614 -4.547 17.664 823 HA PRO 97 HA PRO 97 -13.904 -7.998 13.838 824 HB2 PRO 97 1HB PRO 97 -16.235 -6.624 14.201 825 HB3 PRO 97 2HB PRO 97 -16.000 -8.304 14.786 826 HG2 PRO 97 1HG PRO 97 -15.687 -5.720 16.307 827 HG3 PRO 97 2HG PRO 97 -16.646 -7.175 16.740 828 HD2 PRO 97 1HD PRO 97 -14.177 -6.787 17.747 829 HD3 PRO 97 2HD PRO 97 -14.722 -8.428 17.255 830 H GLN 98 H GLN 98 -13.172 -5.105 15.663 831 HA GLN 98 HA GLN 98 -13.813 -3.156 13.675 832 HB2 GLN 98 1HB GLN 98 -13.182 -2.872 16.195 833 HB3 GLN 98 2HB GLN 98 -11.508 -2.944 15.640 834 HG2 GLN 98 1HG GLN 98 -12.020 -0.656 15.801 835 HG3 GLN 98 2HG GLN 98 -12.082 -1.018 14.068 836 HE21 GLN 98 2HE2 GLN 98 -14.055 -0.552 16.984 837 HE22 GLN 98 1HE2 GLN 98 -15.499 -0.060 16.132 838 H VAL 99 H VAL 99 -10.847 -5.008 14.484 839 HA VAL 99 HA VAL 99 -9.528 -3.866 12.143 840 HB VAL 99 HB VAL 99 -8.384 -4.457 14.399 841 HG11 VAL 99 1HG1 VAL 99 -9.175 -6.860 14.400 842 HG12 VAL 99 2HG1 VAL 99 -8.075 -7.169 13.042 843 HG13 VAL 99 3HG1 VAL 99 -7.429 -6.660 14.615 844 HG21 VAL 99 3HG2 VAL 99 -6.253 -4.814 13.246 845 HG22 VAL 99 1HG2 VAL 99 -7.107 -5.268 11.761 846 HG23 VAL 99 2HG2 VAL 99 -7.234 -3.609 12.395 847 H MET 100 H MET 100 -11.355 -6.778 12.907 848 HA MET 100 HA MET 100 -10.329 -8.429 10.828 849 HB2 MET 100 1HB MET 100 -11.826 -9.176 12.666 850 HB3 MET 100 2HB MET 100 -13.166 -8.315 11.902 851 HG2 MET 100 1HG MET 100 -11.700 -10.287 10.220 852 HG3 MET 100 2HG MET 100 -12.701 -10.927 11.539 853 HE1 MET 100 3HE MET 100 -14.351 -10.429 7.585 854 HE2 MET 100 1HE MET 100 -12.655 -10.014 7.928 855 HE3 MET 100 2HE MET 100 -13.306 -11.595 8.429 856 H ALA 101 H ALA 101 -12.802 -5.852 10.789 857 HA ALA 101 HA ALA 101 -13.609 -6.263 8.077 858 HB1 ALA 101 3HB ALA 101 -14.397 -3.916 8.219 859 HB2 ALA 101 1HB ALA 101 -14.867 -4.861 9.651 860 HB3 ALA 101 2HB ALA 101 -13.506 -3.720 9.749 861 H ALA 102 H ALA 102 -10.784 -4.644 9.503 862 HA ALA 102 HA ALA 102 -10.014 -3.354 7.006 863 HB1 ALA 102 3HB ALA 102 -8.422 -3.819 9.564 864 HB2 ALA 102 1HB ALA 102 -7.989 -2.728 8.230 865 HB3 ALA 102 2HB ALA 102 -9.428 -2.392 9.220 866 H VAL 103 H VAL 103 -9.335 -6.382 8.721 867 HA VAL 103 HA VAL 103 -7.085 -7.267 7.169 868 HB VAL 103 HB VAL 103 -9.365 -8.803 8.533 869 HG11 VAL 103 1HG1 VAL 103 -7.982 -10.813 8.410 870 HG12 VAL 103 2HG1 VAL 103 -8.391 -10.227 6.791 871 HG13 VAL 103 3HG1 VAL 103 -6.782 -9.932 7.463 872 HG21 VAL 103 3HG2 VAL 103 -6.484 -8.550 9.470 873 HG22 VAL 103 1HG2 VAL 103 -7.735 -7.386 9.943 874 HG23 VAL 103 2HG2 VAL 103 -7.902 -9.092 10.394 875 H ALA 104 H ALA 104 -10.629 -7.657 6.756 876 HA ALA 104 HA ALA 104 -10.413 -9.070 4.275 877 HB1 ALA 104 3HB ALA 104 -12.817 -8.564 4.058 878 HB2 ALA 104 1HB ALA 104 -12.426 -9.094 5.712 879 HB3 ALA 104 2HB ALA 104 -12.697 -7.369 5.373 880 H GLN 105 H GLN 105 -10.886 -5.572 5.024 881 HA GLN 105 HA GLN 105 -11.124 -4.767 2.296 882 HB2 GLN 105 1HB GLN 105 -10.297 -3.352 4.836 883 HB3 GLN 105 2HB GLN 105 -10.139 -2.564 3.256 884 HG2 GLN 105 1HG GLN 105 -12.601 -3.140 2.878 885 HG3 GLN 105 2HG GLN 105 -12.671 -3.474 4.613 886 HE21 GLN 105 2HE2 GLN 105 -13.222 -1.789 5.858 887 HE22 GLN 105 1HE2 GLN 105 -13.010 -0.100 5.433 888 H THR 106 H THR 106 -8.223 -5.306 4.329 889 HA THR 106 HA THR 106 -6.370 -4.070 2.551 890 HB THR 106 HB THR 106 -5.817 -6.564 4.222 891 HG1 THR 106 HG1 THR 106 -6.681 -4.911 5.524 892 HG21 THR 106 1HG2 THR 106 -3.529 -5.596 4.330 893 HG22 THR 106 2HG2 THR 106 -4.042 -4.309 3.220 894 HG23 THR 106 3HG2 THR 106 -4.010 -6.000 2.671 895 H GLU 107 H GLU 107 -7.628 -7.451 2.729 896 HA GLU 107 HA GLU 107 -6.064 -8.454 0.585 897 HB2 GLU 107 1HB GLU 107 -8.849 -9.202 1.529 898 HB3 GLU 107 2HB GLU 107 -7.978 -10.049 0.255 899 HG2 GLU 107 1HG GLU 107 -6.127 -10.438 1.860 900 HG3 GLU 107 2HG GLU 107 -7.167 -9.796 3.135 901 H GLU 108 H GLU 108 -9.326 -6.906 0.486 902 HA GLU 108 HA GLU 108 -9.601 -7.321 -2.332 903 HB2 GLU 108 1HB GLU 108 -10.868 -5.208 -0.559 904 HB3 GLU 108 2HB GLU 108 -11.370 -5.609 -2.207 905 HG2 GLU 108 1HG GLU 108 -11.501 -7.389 0.242 906 HG3 GLU 108 2HG GLU 108 -12.858 -6.728 -0.677 907 H ILE 109 H ILE 109 -8.153 -4.647 -0.472 908 HA ILE 109 HA ILE 109 -7.783 -2.981 -2.815 909 HB ILE 109 HB ILE 109 -6.353 -2.958 -0.115 910 HG12 ILE 109 1HG1 ILE 109 -8.447 -1.022 -1.176 911 HG13 ILE 109 2HG1 ILE 109 -8.906 -2.481 -0.311 912 HG21 ILE 109 1HG2 ILE 109 -5.723 -0.576 -0.813 913 HG22 ILE 109 2HG2 ILE 109 -4.907 -1.840 -1.744 914 HG23 ILE 109 3HG2 ILE 109 -6.284 -0.966 -2.452 915 HD11 ILE 109 3HD1 ILE 109 -8.924 -0.710 1.280 916 HD12 ILE 109 1HD1 ILE 109 -7.492 -1.703 1.634 917 HD13 ILE 109 2HD1 ILE 109 -7.313 -0.147 0.784 918 H LEU 110 H LEU 110 -5.822 -5.504 -1.177 919 HA LEU 110 HA LEU 110 -3.500 -5.182 -2.851 920 HB2 LEU 110 1HB LEU 110 -4.593 -7.261 -1.017 921 HB3 LEU 110 2HB LEU 110 -3.489 -7.830 -2.254 922 HG LEU 110 HG LEU 110 -1.694 -6.540 -1.442 923 HD11 LEU 110 1HD1 LEU 110 -3.597 -5.150 0.467 924 HD12 LEU 110 2HD1 LEU 110 -2.732 -4.410 -0.894 925 HD13 LEU 110 3HD1 LEU 110 -1.833 -5.016 0.499 926 HD21 LEU 110 3HD2 LEU 110 -1.496 -7.388 0.881 927 HD22 LEU 110 1HD2 LEU 110 -2.186 -8.602 -0.215 928 HD23 LEU 110 2HD2 LEU 110 -3.248 -7.709 0.899 929 H LYS 111 H LYS 111 -6.485 -7.113 -3.199 930 HA LYS 111 HA LYS 111 -5.649 -8.528 -5.550 931 HB2 LYS 111 1HB LYS 111 -8.335 -7.853 -4.413 932 HB3 LYS 111 2HB LYS 111 -8.131 -8.824 -5.881 933 HG2 LYS 111 1HG LYS 111 -7.069 -10.585 -4.729 934 HG3 LYS 111 2HG LYS 111 -6.655 -9.551 -3.351 935 HD2 LYS 111 1HD LYS 111 -9.095 -9.287 -2.940 936 HD3 LYS 111 2HD LYS 111 -9.368 -10.579 -4.118 937 HE2 LYS 111 1HE LYS 111 -8.042 -12.132 -2.755 938 HE3 LYS 111 2HE LYS 111 -7.566 -10.814 -1.677 939 HZ1 LYS 111 3HZ LYS 111 -10.201 -12.104 -1.865 940 HZ2 LYS 111 1HZ LYS 111 -10.053 -10.605 -1.204 941 HZ3 LYS 111 2HZ LYS 111 -9.249 -11.885 -0.529 942 H SER 112 H SER 112 -6.967 -5.331 -5.006 943 HA SER 112 HA SER 112 -7.491 -4.824 -7.848 944 HB2 SER 112 1HB SER 112 -8.788 -3.801 -5.961 945 HB3 SER 112 2HB SER 112 -7.340 -2.889 -5.509 946 HG SER 112 HG SER 112 -7.453 -2.265 -7.905 947 H ASN 113 H ASN 113 -4.809 -4.523 -5.653 948 HA ASN 113 HA ASN 113 -3.504 -2.300 -6.917 949 HB2 ASN 113 1HB ASN 113 -3.104 -3.813 -4.614 950 HB3 ASN 113 2HB ASN 113 -1.730 -4.280 -5.620 951 HD21 ASN 113 2HD2 ASN 113 -3.503 -1.202 -5.172 952 HD22 ASN 113 1HD2 ASN 113 -2.104 -0.267 -4.720 953 H SER 114 H SER 114 -2.404 -2.185 -8.773 954 HA SER 114 HA SER 114 -1.110 -4.571 -9.909 955 HB2 SER 114 1HB SER 114 -2.351 -4.130 -12.078 956 HB3 SER 114 2HB SER 114 -3.329 -4.839 -10.784 957 HG SER 114 HG SER 114 -4.295 -2.916 -10.423 958 H GLN 115 H GLN 115 -0.170 -3.800 -12.131 959 HA GLN 115 HA GLN 115 1.473 -2.551 -13.092 960 HB2 GLN 115 1HB GLN 115 -0.660 -1.097 -13.406 961 HB3 GLN 115 2HB GLN 115 0.041 -0.056 -12.165 962 HG2 GLN 115 1HG GLN 115 2.139 0.034 -13.651 963 HG3 GLN 115 2HG GLN 115 1.150 -0.714 -14.913 964 HE21 GLN 115 2HE2 GLN 115 1.337 2.051 -12.698 965 HE22 GLN 115 1HE2 GLN 115 0.484 3.164 -13.744 966 H THR 116 H THR 116 1.997 -3.477 -10.529 967 HA THR 116 HA THR 116 4.090 -1.596 -9.759 968 HB THR 116 HB THR 116 2.238 -0.818 -8.312 969 HG1 THR 116 HG1 THR 116 4.370 -0.898 -7.467 970 HG21 THR 116 1HG2 THR 116 1.151 -2.204 -6.709 971 HG22 THR 116 2HG2 THR 116 2.208 -3.585 -7.087 972 HG23 THR 116 3HG2 THR 116 1.004 -3.026 -8.266 973 H ASP 117 H ASP 117 5.835 -2.728 -9.602 974 HA ASP 117 HA ASP 117 5.796 -5.545 -8.716 975 HB2 ASP 117 1HB ASP 117 7.332 -5.540 -11.085 976 HB3 ASP 117 2HB ASP 117 5.787 -6.353 -10.810 977 H LEU 118 H LEU 118 7.320 -5.511 -7.199 978 HA LEU 118 HA LEU 118 9.796 -3.908 -7.708 979 HB2 LEU 118 1HB LEU 118 8.651 -4.930 -5.092 980 HB3 LEU 118 2HB LEU 118 10.136 -4.008 -5.270 981 HG LEU 118 HG LEU 118 7.326 -2.982 -5.801 982 HD11 LEU 118 1HD1 LEU 118 9.308 -2.380 -3.564 983 HD12 LEU 118 2HD1 LEU 118 7.872 -3.419 -3.416 984 HD13 LEU 118 3HD1 LEU 118 7.683 -1.684 -3.753 985 HD21 LEU 118 3HD2 LEU 118 8.417 -0.748 -5.934 986 HD22 LEU 118 1HD2 LEU 118 8.921 -1.821 -7.253 987 HD23 LEU 118 2HD2 LEU 118 10.009 -1.535 -5.871 988 H GLU 119 H GLU 119 11.765 -4.945 -7.540 989 HA GLU 119 HA GLU 119 11.771 -7.791 -6.762 990 HB2 GLU 119 1HB GLU 119 11.921 -8.596 -8.835 991 HB3 GLU 119 2HB GLU 119 11.562 -6.993 -9.446 992 HG2 GLU 119 1HG GLU 119 13.464 -7.162 -10.585 993 HG3 GLU 119 2HG GLU 119 14.310 -6.844 -9.076 994 H HIS 120 H HIS 120 13.923 -8.540 -6.316 995 HA HIS 120 HA HIS 120 15.971 -6.376 -6.037 996 HB2 HIS 120 1HB HIS 120 15.283 -8.433 -3.887 997 HB3 HIS 120 2HB HIS 120 16.608 -7.266 -3.824 998 HD1 HIS 120 HD1 HIS 120 14.922 -4.727 -4.840 999 HD2 HIS 120 HD2 HIS 120 13.770 -7.390 -1.807 1000 HE1 HIS 120 HE1 HIS 120 13.317 -3.470 -3.294 1001 H HIS 121 H HIS 121 15.261 -9.873 -5.763 1002 HA HIS 121 HA HIS 121 17.192 -10.439 -7.832 1003 HB2 HIS 121 1HB HIS 121 18.344 -10.370 -5.366 1004 HB3 HIS 121 2HB HIS 121 17.742 -12.033 -5.362 1005 HD1 HIS 121 HD1 HIS 121 19.968 -9.678 -7.419 1006 HD2 HIS 121 HD2 HIS 121 19.329 -13.786 -6.836 1007 HE1 HIS 121 HE1 HIS 121 21.826 -10.908 -8.672 1008 H HIS 122 H HIS 122 16.584 -12.358 -8.833 1009 HA HIS 122 HA HIS 122 14.047 -13.507 -8.162 1010 HB2 HIS 122 1HB HIS 122 16.314 -14.662 -9.838 1011 HB3 HIS 122 2HB HIS 122 14.640 -15.235 -9.835 1012 HD1 HIS 122 HD1 HIS 122 16.297 -13.959 -12.360 1013 HD2 HIS 122 HD2 HIS 122 13.378 -12.049 -10.029 1014 HE1 HIS 122 HE1 HIS 122 15.372 -12.027 -13.745 1015 H HIS 123 H HIS 123 13.531 -15.343 -6.990 1016 HA HIS 123 HA HIS 123 15.719 -16.666 -5.433 1017 HB2 HIS 123 1HB HIS 123 14.155 -14.575 -4.461 1018 HB3 HIS 123 2HB HIS 123 13.228 -15.989 -3.951 1019 HD1 HIS 123 HD1 HIS 123 14.028 -17.206 -1.847 1020 HD2 HIS 123 HD2 HIS 123 16.878 -14.521 -3.397 1021 HE1 HIS 123 HE1 HIS 123 15.907 -17.011 -0.123 1022 H HIS 124 H HIS 124 15.033 -18.788 -4.662 1023 HA HIS 124 HA HIS 124 13.007 -20.054 -6.364 1024 HB2 HIS 124 1HB HIS 124 13.721 -22.129 -5.118 1025 HB3 HIS 124 2HB HIS 124 15.022 -21.289 -5.957 1026 HD1 HIS 124 HD1 HIS 124 13.552 -20.991 -2.374 1027 HD2 HIS 124 HD2 HIS 124 17.234 -21.334 -4.374 1028 HE1 HIS 124 HE1 HIS 124 15.378 -20.994 -0.590 1029 H HIS 125 H HIS 125 11.735 -18.151 -4.878 1030 HA HIS 125 HA HIS 125 10.236 -17.600 -3.239 1031 HB2 HIS 125 1HB HIS 125 9.891 -20.528 -2.506 1032 HB3 HIS 125 2HB HIS 125 8.805 -19.183 -2.161 1033 HD1 HIS 125 HD1 HIS 125 9.537 -21.818 -4.660 1034 HD2 HIS 125 HD2 HIS 125 7.367 -18.235 -4.527 1035 HE1 HIS 125 HE1 HIS 125 7.959 -21.828 -6.673 Start of MODEL 5 1 H21 MYR 1 1H2 MYR 1 0.492 -0.182 -1.201 2 H22 MYR 1 2H2 MYR 1 2.076 0.400 -0.714 3 H31 MYR 1 1H3 MYR 1 1.883 -2.112 -0.696 4 H32 MYR 1 2H3 MYR 1 2.381 -1.440 0.853 5 H41 MYR 1 1H4 MYR 1 0.077 -1.692 1.750 6 H42 MYR 1 2H4 MYR 1 -0.504 -2.282 0.193 7 H51 MYR 1 1H5 MYR 1 0.750 -4.330 0.362 8 H52 MYR 1 2H5 MYR 1 1.785 -3.726 1.650 9 H61 MYR 1 1H6 MYR 1 -1.230 -3.947 2.127 10 H62 MYR 1 2H6 MYR 1 -0.234 -5.394 2.176 11 H71 MYR 1 1H7 MYR 1 1.182 -4.463 3.965 12 H72 MYR 1 2H7 MYR 1 0.345 -2.910 3.902 13 H81 MYR 1 1H8 MYR 1 -1.711 -3.856 4.755 14 H82 MYR 1 2H8 MYR 1 -1.165 -5.506 4.477 15 H91 MYR 1 1H9 MYR 1 -0.186 -3.577 6.657 16 H92 MYR 1 2H9 MYR 1 0.715 -5.019 6.224 17 H101 MYR 1 1H10 MYR 1 -0.625 -5.722 8.057 18 H102 MYR 1 2H10 MYR 1 -1.403 -6.405 6.644 19 H111 MYR 1 1H11 MYR 1 -2.354 -4.221 8.523 20 H112 MYR 1 2H11 MYR 1 -2.821 -4.025 6.836 21 H121 MYR 1 1H12 MYR 1 -3.843 -6.273 6.803 22 H122 MYR 1 2H12 MYR 1 -3.378 -6.566 8.475 23 H131 MYR 1 1H13 MYR 1 -5.121 -4.144 7.762 24 H132 MYR 1 2H13 MYR 1 -5.834 -5.736 7.844 25 H141 MYR 1 1H14 MYR 1 -6.113 -4.583 10.003 26 H142 MYR 1 2H14 MYR 1 -5.075 -6.001 10.214 27 H143 MYR 1 3H14 MYR 1 -4.360 -4.375 10.159 28 H GLY 2 H GLY 2 2.088 0.504 1.942 29 HA2 GLY 2 1HA GLY 2 -0.200 1.369 3.348 30 HA3 GLY 2 2HA GLY 2 1.471 1.782 3.756 31 H GLN 3 H GLN 3 2.010 3.112 1.223 32 HA GLN 3 HA GLN 3 1.170 5.755 1.903 33 HB2 GLN 3 1HB GLN 3 2.205 6.408 -0.191 34 HB3 GLN 3 2HB GLN 3 3.199 5.190 0.613 35 HG2 GLN 3 1HG GLN 3 2.080 3.463 -0.917 36 HG3 GLN 3 2HG GLN 3 1.452 4.835 -1.838 37 HE21 GLN 3 2HE2 GLN 3 3.862 2.619 -1.667 38 HE22 GLN 3 1HE2 GLN 3 5.086 3.461 -2.584 39 H GLU 4 H GLU 4 -0.251 3.316 -0.299 40 HA GLU 4 HA GLU 4 -2.203 5.295 -1.244 41 HB2 GLU 4 1HB GLU 4 -2.606 3.943 -2.970 42 HB3 GLU 4 2HB GLU 4 -1.044 3.276 -2.527 43 HG2 GLU 4 1HG GLU 4 -2.394 1.417 -2.947 44 HG3 GLU 4 2HG GLU 4 -2.314 1.511 -1.189 45 H LEU 5 H LEU 5 -2.007 2.591 1.050 46 HA LEU 5 HA LEU 5 -4.812 2.362 1.511 47 HB2 LEU 5 1HB LEU 5 -2.419 1.828 3.277 48 HB3 LEU 5 2HB LEU 5 -4.067 1.488 3.782 49 HG LEU 5 HG LEU 5 -2.734 0.237 1.357 50 HD11 LEU 5 1HD1 LEU 5 -1.640 -0.439 3.464 51 HD12 LEU 5 2HD1 LEU 5 -2.539 -1.784 2.736 52 HD13 LEU 5 3HD1 LEU 5 -3.221 -0.918 4.130 53 HD21 LEU 5 3HD2 LEU 5 -5.346 -0.424 2.782 54 HD22 LEU 5 1HD2 LEU 5 -4.606 -1.391 1.487 55 HD23 LEU 5 2HD2 LEU 5 -5.170 0.252 1.145 56 H SER 6 H SER 6 -2.358 4.513 2.999 57 HA SER 6 HA SER 6 -4.011 5.823 4.857 58 HB2 SER 6 1HB SER 6 -1.506 6.061 4.511 59 HB3 SER 6 2HB SER 6 -1.867 7.141 3.153 60 HG SER 6 HG SER 6 -3.192 8.328 4.762 61 H GLN 7 H GLN 7 -4.250 6.073 1.357 62 HA GLN 7 HA GLN 7 -6.005 8.464 1.739 63 HB2 GLN 7 1HB GLN 7 -5.503 9.026 -0.602 64 HB3 GLN 7 2HB GLN 7 -4.091 9.092 0.446 65 HG2 GLN 7 1HG GLN 7 -3.423 6.855 -0.398 66 HG3 GLN 7 2HG GLN 7 -4.763 6.916 -1.550 67 HE21 GLN 7 2HE2 GLN 7 -1.525 7.502 -1.070 68 HE22 GLN 7 1HE2 GLN 7 -1.256 8.604 -2.408 69 H HIS 8 H HIS 8 -6.101 5.215 1.393 70 HA HIS 8 HA HIS 8 -8.424 5.092 -0.441 71 HB2 HIS 8 1HB HIS 8 -6.523 3.262 0.434 72 HB3 HIS 8 2HB HIS 8 -7.898 2.808 1.400 73 HD1 HIS 8 HD1 HIS 8 -6.471 2.670 -2.054 74 HD2 HIS 8 HD2 HIS 8 -10.127 1.816 -0.154 75 HE1 HIS 8 HE1 HIS 8 -7.843 1.260 -3.669 76 H GLU 9 H GLU 9 -9.523 6.835 0.766 77 HA GLU 9 HA GLU 9 -9.733 7.052 3.477 78 HB2 GLU 9 1HB GLU 9 -11.550 8.546 3.143 79 HB3 GLU 9 2HB GLU 9 -10.452 8.682 1.759 80 HG2 GLU 9 1HG GLU 9 -11.975 7.165 0.475 81 HG3 GLU 9 2HG GLU 9 -13.086 7.192 1.852 82 H ARG 10 H ARG 10 -11.694 4.740 1.642 83 HA ARG 10 HA ARG 10 -13.661 4.406 3.770 84 HB2 ARG 10 1HB ARG 10 -12.976 2.978 1.221 85 HB3 ARG 10 2HB ARG 10 -13.851 2.071 2.460 86 HG2 ARG 10 1HG ARG 10 -15.578 2.951 1.137 87 HG3 ARG 10 2HG ARG 10 -15.514 4.041 2.526 88 HD2 ARG 10 1HD ARG 10 -15.737 5.481 0.678 89 HD3 ARG 10 2HD ARG 10 -14.014 5.548 1.059 90 HE ARG 10 HE ARG 10 -14.480 3.501 -0.869 91 HH11 ARG 10 1HH1 ARG 10 -14.448 7.063 -0.699 92 HH12 ARG 10 2HH1 ARG 10 -14.096 7.199 -2.396 93 HH21 ARG 10 1HH2 ARG 10 -14.018 3.809 -3.020 94 HH22 ARG 10 2HH2 ARG 10 -13.851 5.416 -3.670 95 H TYR 11 H TYR 11 -10.562 2.956 2.974 96 HA TYR 11 HA TYR 11 -10.671 0.865 4.989 97 HB2 TYR 11 1HB TYR 11 -9.256 0.754 2.972 98 HB3 TYR 11 2HB TYR 11 -8.385 2.193 3.488 99 HD1 TYR 11 HD1 TYR 11 -9.161 -1.293 4.640 100 HD2 TYR 11 HD2 TYR 11 -6.402 2.006 4.687 101 HE1 TYR 11 HE1 TYR 11 -7.480 -2.702 5.809 102 HE2 TYR 11 HE2 TYR 11 -4.723 0.577 5.848 103 HH TYR 11 HH TYR 11 -4.213 -1.495 6.591 104 H VAL 12 H VAL 12 -9.427 4.177 4.687 105 HA VAL 12 HA VAL 12 -8.049 4.341 7.152 106 HB VAL 12 HB VAL 12 -9.498 6.541 5.608 107 HG11 VAL 12 1HG1 VAL 12 -8.006 8.115 6.776 108 HG12 VAL 12 2HG1 VAL 12 -9.043 7.255 7.930 109 HG13 VAL 12 3HG1 VAL 12 -7.341 6.781 7.740 110 HG21 VAL 12 3HG2 VAL 12 -7.287 7.041 4.673 111 HG22 VAL 12 1HG2 VAL 12 -6.561 5.721 5.618 112 HG23 VAL 12 2HG2 VAL 12 -7.711 5.361 4.322 113 H GLU 13 H GLU 13 -11.548 4.767 6.420 114 HA GLU 13 HA GLU 13 -12.289 5.831 8.937 115 HB2 GLU 13 1HB GLU 13 -13.779 4.048 6.997 116 HB3 GLU 13 2HB GLU 13 -14.527 4.701 8.455 117 HG2 GLU 13 1HG GLU 13 -13.197 6.542 6.472 118 HG3 GLU 13 2HG GLU 13 -14.839 5.946 6.189 119 H GLN 14 H GLN 14 -12.085 2.343 7.991 120 HA GLN 14 HA GLN 14 -12.827 1.486 10.671 121 HB2 GLN 14 1HB GLN 14 -11.536 0.084 8.313 122 HB3 GLN 14 2HB GLN 14 -11.719 -0.708 9.882 123 HG2 GLN 14 1HG GLN 14 -13.967 0.368 8.150 124 HG3 GLN 14 2HG GLN 14 -13.556 -1.334 8.424 125 HE21 GLN 14 2HE2 GLN 14 -13.299 -1.715 11.017 126 HE22 GLN 14 1HE2 GLN 14 -14.701 -1.165 11.913 127 H LEU 15 H LEU 15 -9.807 2.343 9.055 128 HA LEU 15 HA LEU 15 -8.128 1.240 11.124 129 HB2 LEU 15 1HB LEU 15 -7.798 2.977 8.758 130 HB3 LEU 15 2HB LEU 15 -6.622 3.219 10.034 131 HG LEU 15 HG LEU 15 -6.048 1.623 8.107 132 HD11 LEU 15 1HD1 LEU 15 -4.686 1.900 10.099 133 HD12 LEU 15 2HD1 LEU 15 -4.729 0.194 9.616 134 HD13 LEU 15 3HD1 LEU 15 -5.706 0.749 10.994 135 HD21 LEU 15 3HD2 LEU 15 -7.707 -0.314 9.776 136 HD22 LEU 15 1HD2 LEU 15 -6.652 -0.726 8.419 137 HD23 LEU 15 2HD2 LEU 15 -8.103 0.253 8.135 138 H LYS 16 H LYS 16 -9.990 4.228 10.908 139 HA LYS 16 HA LYS 16 -8.513 5.676 12.934 140 HB2 LYS 16 1HB LYS 16 -11.468 5.703 12.206 141 HB3 LYS 16 2HB LYS 16 -10.748 6.793 13.387 142 HG2 LYS 16 1HG LYS 16 -9.386 7.850 11.684 143 HG3 LYS 16 2HG LYS 16 -9.911 6.669 10.481 144 HD2 LYS 16 1HD LYS 16 -12.265 7.419 10.808 145 HD3 LYS 16 2HD LYS 16 -11.673 8.699 11.883 146 HE2 LYS 16 1HE LYS 16 -10.344 9.651 10.030 147 HE3 LYS 16 2HE LYS 16 -10.872 8.328 8.966 148 HZ1 LYS 16 3HZ LYS 16 -12.216 10.296 8.605 149 HZ2 LYS 16 1HZ LYS 16 -12.675 10.340 10.191 150 HZ3 LYS 16 2HZ LYS 16 -13.153 9.087 9.226 151 H GLN 17 H GLN 17 -11.106 3.259 12.987 152 HA GLN 17 HA GLN 17 -11.456 3.303 15.848 153 HB2 GLN 17 1HB GLN 17 -11.999 1.060 13.865 154 HB3 GLN 17 2HB GLN 17 -12.640 1.170 15.501 155 HG2 GLN 17 1HG GLN 17 -14.009 3.067 14.911 156 HG3 GLN 17 2HG GLN 17 -13.231 3.203 13.327 157 HE21 GLN 17 2HE2 GLN 17 -15.261 3.035 12.306 158 HE22 GLN 17 1HE2 GLN 17 -16.027 1.476 12.116 159 H ALA 18 H ALA 18 -9.600 1.218 13.585 160 HA ALA 18 HA ALA 18 -8.567 -0.515 15.562 161 HB1 ALA 18 3HB ALA 18 -6.948 -1.186 13.858 162 HB2 ALA 18 1HB ALA 18 -8.560 -0.965 13.133 163 HB3 ALA 18 2HB ALA 18 -7.300 0.279 12.913 164 H LEU 19 H LEU 19 -7.101 2.528 14.266 165 HA LEU 19 HA LEU 19 -4.660 2.274 15.768 166 HB2 LEU 19 1HB LEU 19 -6.091 4.490 14.344 167 HB3 LEU 19 2HB LEU 19 -4.993 4.968 15.631 168 HG LEU 19 HG LEU 19 -3.243 3.492 14.443 169 HD11 LEU 19 1HD1 LEU 19 -5.130 3.981 12.113 170 HD12 LEU 19 2HD1 LEU 19 -4.626 2.404 12.759 171 HD13 LEU 19 3HD1 LEU 19 -3.431 3.460 11.955 172 HD21 LEU 19 3HD2 LEU 19 -4.152 6.103 13.210 173 HD22 LEU 19 1HD2 LEU 19 -2.545 5.363 12.992 174 HD23 LEU 19 2HD2 LEU 19 -3.067 5.911 14.604 175 H LYS 20 H LYS 20 -7.854 3.693 16.507 176 HA LYS 20 HA LYS 20 -7.080 4.760 19.068 177 HB2 LYS 20 1HB LYS 20 -9.047 5.602 17.941 178 HB3 LYS 20 2HB LYS 20 -9.749 3.991 17.842 179 HG2 LYS 20 1HG LYS 20 -10.940 5.210 19.524 180 HG3 LYS 20 2HG LYS 20 -9.998 3.949 20.323 181 HD2 LYS 20 1HD LYS 20 -8.228 5.706 20.818 182 HD3 LYS 20 2HD LYS 20 -9.369 6.923 20.208 183 HE2 LYS 20 1HE LYS 20 -9.826 4.996 22.532 184 HE3 LYS 20 2HE LYS 20 -9.473 6.728 22.673 185 HZ1 LYS 20 3HZ LYS 20 -11.835 6.280 22.902 186 HZ2 LYS 20 1HZ LYS 20 -11.898 5.566 21.416 187 HZ3 LYS 20 2HZ LYS 20 -11.575 7.180 21.543 188 H THR 21 H THR 21 -8.602 1.621 18.140 189 HA THR 21 HA THR 21 -9.141 0.951 20.859 190 HB THR 21 HB THR 21 -10.202 -0.015 18.693 191 HG1 THR 21 HG1 THR 21 -9.525 -1.699 20.889 192 HG21 THR 21 1HG2 THR 21 -8.040 -2.122 19.130 193 HG22 THR 21 2HG2 THR 21 -8.053 -0.972 17.773 194 HG23 THR 21 3HG2 THR 21 -9.357 -2.154 17.946 195 H ARG 22 H ARG 22 -6.157 0.646 19.052 196 HA ARG 22 HA ARG 22 -5.134 -1.443 20.797 197 HB2 ARG 22 1HB ARG 22 -4.296 -0.987 18.466 198 HB3 ARG 22 2HB ARG 22 -3.581 0.518 19.055 199 HG2 ARG 22 1HG ARG 22 -1.885 -1.261 18.885 200 HG3 ARG 22 2HG ARG 22 -2.103 -0.765 20.561 201 HD2 ARG 22 1HD ARG 22 -3.680 -2.746 20.843 202 HD3 ARG 22 2HD ARG 22 -3.152 -3.289 19.245 203 HE ARG 22 HE ARG 22 -1.142 -4.005 20.172 204 HH11 ARG 22 1HH1 ARG 22 -2.723 -1.899 22.577 205 HH12 ARG 22 2HH1 ARG 22 -1.632 -2.420 23.833 206 HH21 ARG 22 1HH2 ARG 22 0.147 -4.591 21.802 207 HH22 ARG 22 2HH2 ARG 22 -0.018 -3.892 23.404 208 H GLY 23 H GLY 23 -5.688 1.927 21.075 209 HA2 GLY 23 1HA GLY 23 -5.507 3.197 22.999 210 HA3 GLY 23 2HA GLY 23 -4.638 1.873 23.789 211 H VAL 24 H VAL 24 -3.259 2.621 20.779 212 HA VAL 24 HA VAL 24 -1.121 4.156 22.189 213 HB VAL 24 HB VAL 24 -0.832 2.440 19.680 214 HG11 VAL 24 1HG1 VAL 24 1.579 2.642 20.118 215 HG12 VAL 24 2HG1 VAL 24 0.866 4.260 19.984 216 HG13 VAL 24 3HG1 VAL 24 1.262 3.597 21.585 217 HG21 VAL 24 3HG2 VAL 24 -1.424 0.992 21.575 218 HG22 VAL 24 1HG2 VAL 24 0.286 0.780 21.161 219 HG23 VAL 24 2HG2 VAL 24 -0.172 1.753 22.581 220 H LYS 25 H LYS 25 -0.982 6.221 21.627 221 HA LYS 25 HA LYS 25 -2.554 7.207 19.362 222 HB2 LYS 25 1HB LYS 25 -0.714 8.628 21.325 223 HB3 LYS 25 2HB LYS 25 -1.750 9.432 20.135 224 HG2 LYS 25 1HG LYS 25 -3.746 8.379 21.224 225 HG3 LYS 25 2HG LYS 25 -2.682 7.729 22.483 226 HD2 LYS 25 1HD LYS 25 -2.965 10.697 21.847 227 HD3 LYS 25 2HD LYS 25 -3.873 9.853 23.115 228 HE2 LYS 25 1HE LYS 25 -1.697 9.189 24.179 229 HE3 LYS 25 2HE LYS 25 -0.844 10.172 22.970 230 HZ1 LYS 25 3HZ LYS 25 -1.194 11.397 25.024 231 HZ2 LYS 25 1HZ LYS 25 -2.828 11.198 24.926 232 HZ3 LYS 25 2HZ LYS 25 -2.039 12.114 23.802 233 H VAL 26 H VAL 26 -1.470 6.167 17.621 234 HA VAL 26 HA VAL 26 1.254 7.219 16.997 235 HB VAL 26 HB VAL 26 -0.354 5.104 15.470 236 HG11 VAL 26 1HG1 VAL 26 1.928 4.449 14.639 237 HG12 VAL 26 2HG1 VAL 26 1.457 6.078 14.148 238 HG13 VAL 26 3HG1 VAL 26 2.609 5.853 15.482 239 HG21 VAL 26 3HG2 VAL 26 1.690 4.718 17.692 240 HG22 VAL 26 1HG2 VAL 26 -0.021 4.221 17.699 241 HG23 VAL 26 2HG2 VAL 26 1.123 3.426 16.608 242 H LYS 27 H LYS 27 1.552 8.564 15.194 243 HA LYS 27 HA LYS 27 -0.770 9.975 14.162 244 HB2 LYS 27 1HB LYS 27 1.615 10.874 14.339 245 HB3 LYS 27 2HB LYS 27 2.037 9.803 13.008 246 HG2 LYS 27 1HG LYS 27 0.329 11.010 11.589 247 HG3 LYS 27 2HG LYS 27 0.147 12.167 12.926 248 HD2 LYS 27 1HD LYS 27 2.643 12.567 12.813 249 HD3 LYS 27 2HD LYS 27 2.697 11.517 11.390 250 HE2 LYS 27 1HE LYS 27 2.651 13.726 10.544 251 HE3 LYS 27 2HE LYS 27 1.014 13.091 10.298 252 HZ1 LYS 27 3HZ LYS 27 1.864 14.866 12.520 253 HZ2 LYS 27 1HZ LYS 27 0.334 14.288 12.305 254 HZ3 LYS 27 2HZ LYS 27 0.984 15.334 11.207 255 H PHE 28 H PHE 28 -1.934 9.480 12.292 256 HA PHE 28 HA PHE 28 -1.989 6.838 11.321 257 HB2 PHE 28 1HB PHE 28 -3.232 9.408 10.756 258 HB3 PHE 28 2HB PHE 28 -2.807 8.641 9.224 259 HD1 PHE 28 HD1 PHE 28 -3.725 6.410 8.639 260 HD2 PHE 28 HD2 PHE 28 -5.044 8.589 12.100 261 HE1 PHE 28 HE1 PHE 28 -5.753 4.988 8.748 262 HE2 PHE 28 HE2 PHE 28 -7.087 7.180 12.212 263 HZ PHE 28 HZ PHE 28 -7.448 5.389 10.519 264 H ALA 29 H ALA 29 -0.396 9.678 9.818 265 HA ALA 29 HA ALA 29 0.534 8.319 7.522 266 HB1 ALA 29 3HB ALA 29 2.145 10.174 7.331 267 HB2 ALA 29 1HB ALA 29 0.535 10.786 7.768 268 HB3 ALA 29 2HB ALA 29 1.813 10.661 9.008 269 H ASP 30 H ASP 30 1.889 8.518 10.820 270 HA ASP 30 HA ASP 30 4.405 7.332 10.071 271 HB2 ASP 30 1HB ASP 30 3.009 7.882 12.674 272 HB3 ASP 30 2HB ASP 30 4.391 6.784 12.637 273 H LEU 31 H LEU 31 1.269 6.055 11.229 274 HA LEU 31 HA LEU 31 2.352 3.444 11.653 275 HB2 LEU 31 1HB LEU 31 -0.014 4.597 12.320 276 HB3 LEU 31 2HB LEU 31 -0.515 3.515 10.993 277 HG LEU 31 HG LEU 31 1.184 2.683 13.404 278 HD11 LEU 31 1HD1 LEU 31 -1.735 2.129 12.923 279 HD12 LEU 31 2HD1 LEU 31 -1.075 3.317 14.075 280 HD13 LEU 31 3HD1 LEU 31 -0.752 1.589 14.301 281 HD21 LEU 31 3HD2 LEU 31 0.545 0.357 12.740 282 HD22 LEU 31 1HD2 LEU 31 1.590 1.173 11.568 283 HD23 LEU 31 2HD2 LEU 31 -0.154 1.026 11.247 284 H LEU 32 H LEU 32 0.289 4.774 9.052 285 HA LEU 32 HA LEU 32 0.496 2.466 7.377 286 HB2 LEU 32 1HB LEU 32 -0.093 5.364 6.852 287 HB3 LEU 32 2HB LEU 32 0.187 4.282 5.502 288 HG LEU 32 HG LEU 32 -2.141 4.500 5.821 289 HD11 LEU 32 1HD1 LEU 32 -2.896 2.259 5.983 290 HD12 LEU 32 2HD1 LEU 32 -1.489 1.788 6.958 291 HD13 LEU 32 3HD1 LEU 32 -1.283 2.220 5.246 292 HD21 LEU 32 3HD2 LEU 32 -1.843 3.502 8.601 293 HD22 LEU 32 1HD2 LEU 32 -3.328 4.026 7.754 294 HD23 LEU 32 2HD2 LEU 32 -2.046 5.199 8.119 295 H LYS 33 H LYS 33 2.873 4.929 7.974 296 HA LYS 33 HA LYS 33 4.422 4.526 5.579 297 HB2 LYS 33 1HB LYS 33 5.383 6.254 6.632 298 HB3 LYS 33 2HB LYS 33 4.846 5.720 8.219 299 HG2 LYS 33 1HG LYS 33 6.758 4.299 8.509 300 HG3 LYS 33 2HG LYS 33 7.218 4.463 6.805 301 HD2 LYS 33 1HD LYS 33 8.676 5.810 8.242 302 HD3 LYS 33 2HD LYS 33 7.760 6.817 7.114 303 HE2 LYS 33 1HE LYS 33 7.844 7.868 9.315 304 HE3 LYS 33 2HE LYS 33 6.183 7.433 8.902 305 HZ1 LYS 33 3HZ LYS 33 6.332 5.548 10.358 306 HZ2 LYS 33 1HZ LYS 33 6.775 6.910 11.191 307 HZ3 LYS 33 2HZ LYS 33 7.929 5.840 10.678 308 H PHE 34 H PHE 34 4.177 2.624 8.601 309 HA PHE 34 HA PHE 34 6.321 0.835 7.744 310 HB2 PHE 34 1HB PHE 34 4.273 0.668 9.960 311 HB3 PHE 34 2HB PHE 34 5.457 -0.601 9.626 312 HD1 PHE 34 HD1 PHE 34 7.882 -0.207 9.941 313 HD2 PHE 34 HD2 PHE 34 4.954 2.763 10.965 314 HE1 PHE 34 HE1 PHE 34 9.609 1.042 11.236 315 HE2 PHE 34 HE2 PHE 34 6.663 4.023 12.254 316 HZ PHE 34 HZ PHE 34 9.002 3.178 12.377 317 H PHE 35 H PHE 35 2.873 1.070 7.178 318 HA PHE 35 HA PHE 35 2.543 -1.679 6.260 319 HB2 PHE 35 1HB PHE 35 0.953 0.866 5.814 320 HB3 PHE 35 2HB PHE 35 0.552 -0.645 5.012 321 HD1 PHE 35 HD1 PHE 35 1.755 -0.468 8.592 322 HD2 PHE 35 HD2 PHE 35 -1.612 -0.924 5.940 323 HE1 PHE 35 HE1 PHE 35 0.349 -1.158 10.491 324 HE2 PHE 35 HE2 PHE 35 -3.025 -1.596 7.879 325 HZ PHE 35 HZ PHE 35 -2.046 -1.705 10.155 326 H ASP 36 H ASP 36 3.956 1.256 4.998 327 HA ASP 36 HA ASP 36 3.962 0.301 2.210 328 HB2 ASP 36 1HB ASP 36 4.113 2.786 3.316 329 HB3 ASP 36 2HB ASP 36 5.838 2.441 3.124 330 H PHE 37 H PHE 37 6.083 0.460 5.041 331 HA PHE 37 HA PHE 37 8.473 -0.393 3.745 332 HB2 PHE 37 1HB PHE 37 8.341 0.746 5.948 333 HB3 PHE 37 2HB PHE 37 7.659 -0.724 6.650 334 HD1 PHE 37 HD2 PHE 37 10.594 0.082 4.405 335 HD2 PHE 37 HD1 PHE 37 9.166 -1.941 7.929 336 HE1 PHE 37 HE2 PHE 37 12.883 -0.792 4.827 337 HE2 PHE 37 HE1 PHE 37 11.459 -2.817 8.355 338 HZ PHE 37 HZ PHE 37 13.320 -2.242 6.803 339 H VAL 38 H VAL 38 5.816 -2.309 5.234 340 HA VAL 38 HA VAL 38 7.253 -4.795 5.116 341 HB VAL 38 HB VAL 38 5.275 -4.985 6.398 342 HG11 VAL 38 1HG1 VAL 38 4.092 -3.028 5.634 343 HG12 VAL 38 2HG1 VAL 38 3.702 -3.813 4.091 344 HG13 VAL 38 3HG1 VAL 38 3.021 -4.426 5.612 345 HG21 VAL 38 3HG2 VAL 38 3.958 -6.732 5.388 346 HG22 VAL 38 1HG2 VAL 38 4.360 -6.186 3.746 347 HG23 VAL 38 2HG2 VAL 38 5.613 -6.911 4.773 348 H LYS 39 H LYS 39 5.380 -2.974 2.666 349 HA LYS 39 HA LYS 39 5.520 -5.067 0.692 350 HB2 LYS 39 1HB LYS 39 4.002 -3.041 0.680 351 HB3 LYS 39 2HB LYS 39 5.394 -2.069 0.208 352 HG2 LYS 39 1HG LYS 39 5.270 -4.302 -1.575 353 HG3 LYS 39 2HG LYS 39 3.635 -3.659 -1.419 354 HD2 LYS 39 1HD LYS 39 4.626 -2.512 -3.260 355 HD3 LYS 39 2HD LYS 39 4.567 -1.356 -1.921 356 HE2 LYS 39 1HE LYS 39 6.709 -1.188 -3.090 357 HE3 LYS 39 2HE LYS 39 6.978 -1.798 -1.449 358 HZ1 LYS 39 3HZ LYS 39 7.216 -4.013 -2.352 359 HZ2 LYS 39 1HZ LYS 39 8.234 -2.999 -3.173 360 HZ3 LYS 39 2HZ LYS 39 6.838 -3.485 -3.884 361 H ASP 40 H ASP 40 7.653 -2.332 1.525 362 HA ASP 40 HA ASP 40 9.399 -2.554 -0.728 363 HB2 ASP 40 1HB ASP 40 9.239 -0.645 0.941 364 HB3 ASP 40 2HB ASP 40 10.143 -1.652 2.080 365 H THR 41 H THR 41 9.487 -4.036 2.514 366 HA THR 41 HA THR 41 11.988 -5.432 1.979 367 HB THR 41 HB THR 41 9.974 -6.056 4.183 368 HG1 THR 41 HG1 THR 41 10.401 -3.807 4.166 369 HG21 THR 41 1HG2 THR 41 12.025 -7.535 3.862 370 HG22 THR 41 2HG2 THR 41 11.915 -6.737 5.440 371 HG23 THR 41 3HG2 THR 41 13.013 -6.096 4.204 372 H CYS 42 H CYS 42 8.532 -6.203 1.837 373 HA CYS 42 HA CYS 42 9.198 -8.979 0.932 374 HB2 CYS 42 1HB CYS 42 6.596 -8.082 2.196 375 HB3 CYS 42 2HB CYS 42 7.193 -9.729 1.978 376 HG CYS 42 HG CYS 42 8.267 -7.316 3.924 377 HA PRO 43 HA PRO 43 6.977 -6.795 -2.460 378 HB2 PRO 43 1HB PRO 43 8.184 -7.993 -4.594 379 HB3 PRO 43 2HB PRO 43 8.943 -6.635 -3.701 380 HG2 PRO 43 1HG PRO 43 9.398 -9.596 -3.368 381 HG3 PRO 43 2HG PRO 43 10.607 -8.291 -3.596 382 HD2 PRO 43 1HD PRO 43 9.999 -9.247 -1.138 383 HD3 PRO 43 2HD PRO 43 10.332 -7.496 -1.403 384 H TRP 44 H TRP 44 7.441 -10.113 -1.613 385 HA TRP 44 HA TRP 44 5.347 -11.148 -3.373 386 HB2 TRP 44 1HB TRP 44 5.827 -13.187 -1.770 387 HB3 TRP 44 2HB TRP 44 6.949 -12.743 -3.068 388 HD1 TRP 44 HD1 TRP 44 6.503 -11.944 0.675 389 HE1 TRP 44 HE1 TRP 44 8.791 -11.667 1.801 390 HE3 TRP 44 HE3 TRP 44 9.363 -12.514 -3.494 391 HZ2 TRP 44 HZ2 TRP 44 11.518 -11.636 0.955 392 HZ3 TRP 44 HZ3 TRP 44 11.854 -12.337 -3.286 393 HH2 TRP 44 HH2 TRP 44 12.907 -11.888 -1.069 394 H PHE 45 H PHE 45 5.416 -9.580 -0.282 395 HA PHE 45 HA PHE 45 3.197 -11.031 0.859 396 HB2 PHE 45 1HB PHE 45 4.729 -9.660 2.212 397 HB3 PHE 45 2HB PHE 45 4.104 -8.196 1.449 398 HD1 PHE 45 HD1 PHE 45 3.172 -11.104 3.599 399 HD2 PHE 45 HD2 PHE 45 2.071 -7.182 2.210 400 HE1 PHE 45 HE1 PHE 45 1.347 -11.022 5.293 401 HE2 PHE 45 HE2 PHE 45 0.248 -7.094 3.900 402 HZ PHE 45 HZ PHE 45 -0.120 -9.011 5.446 403 HA PRO 46 HA PRO 46 0.339 -7.780 -0.919 404 HB2 PRO 46 1HB PRO 46 1.020 -6.340 -3.137 405 HB3 PRO 46 2HB PRO 46 1.366 -5.749 -1.480 406 HG2 PRO 46 1HG PRO 46 3.163 -7.226 -3.365 407 HG3 PRO 46 2HG PRO 46 3.445 -5.674 -2.525 408 HD2 PRO 46 1HD PRO 46 4.394 -7.945 -1.514 409 HD3 PRO 46 2HD PRO 46 3.670 -6.716 -0.428 410 H GLN 47 H GLN 47 2.623 -9.546 -2.924 411 HA GLN 47 HA GLN 47 0.961 -10.038 -5.187 412 HB2 GLN 47 1HB GLN 47 3.460 -10.296 -4.973 413 HB3 GLN 47 2HB GLN 47 3.176 -11.763 -4.037 414 HG2 GLN 47 1HG GLN 47 2.142 -12.841 -5.932 415 HG3 GLN 47 2HG GLN 47 2.237 -11.342 -6.876 416 HE21 GLN 47 2HE2 GLN 47 3.566 -12.050 -8.484 417 HE22 GLN 47 1HE2 GLN 47 5.223 -12.534 -8.212 418 H GLU 48 H GLU 48 1.326 -11.675 -2.051 419 HA GLU 48 HA GLU 48 -0.208 -14.022 -2.701 420 HB2 GLU 48 1HB GLU 48 0.413 -12.541 -0.128 421 HB3 GLU 48 2HB GLU 48 -0.593 -13.986 -0.141 422 HG2 GLU 48 1HG GLU 48 2.234 -13.925 -1.245 423 HG3 GLU 48 2HG GLU 48 1.847 -14.328 0.434 424 H GLY 49 H GLY 49 -1.068 -10.716 -1.825 425 HA2 GLY 49 1HA GLY 49 -3.097 -9.655 -1.672 426 HA3 GLY 49 2HA GLY 49 -3.738 -10.947 -2.696 427 H THR 50 H THR 50 -2.372 -11.946 0.303 428 HA THR 50 HA THR 50 -5.115 -12.306 1.438 429 HB THR 50 HB THR 50 -2.826 -14.322 1.471 430 HG1 THR 50 HG1 THR 50 -3.783 -14.065 -0.621 431 HG21 THR 50 1HG2 THR 50 -4.650 -15.878 2.200 432 HG22 THR 50 2HG2 THR 50 -5.734 -14.481 2.347 433 HG23 THR 50 3HG2 THR 50 -4.292 -14.604 3.387 434 H ILE 51 H ILE 51 -5.304 -11.770 3.544 435 HA ILE 51 HA ILE 51 -2.752 -11.069 4.957 436 HB ILE 51 HB ILE 51 -5.550 -10.072 5.532 437 HG12 ILE 51 1HG1 ILE 51 -4.823 -9.138 3.430 438 HG13 ILE 51 2HG1 ILE 51 -4.851 -7.966 4.711 439 HG21 ILE 51 1HG2 ILE 51 -4.100 -10.131 7.541 440 HG22 ILE 51 2HG2 ILE 51 -2.833 -9.227 6.677 441 HG23 ILE 51 3HG2 ILE 51 -4.399 -8.462 7.039 442 HD11 ILE 51 3HD1 ILE 51 -2.498 -7.813 4.802 443 HD12 ILE 51 1HD1 ILE 51 -2.318 -9.207 3.699 444 HD13 ILE 51 2HD1 ILE 51 -3.013 -7.682 3.102 445 H ASP 52 H ASP 52 -2.201 -12.586 6.188 446 HA ASP 52 HA ASP 52 -4.087 -13.661 8.155 447 HB2 ASP 52 1HB ASP 52 -4.497 -15.626 7.200 448 HB3 ASP 52 2HB ASP 52 -3.524 -15.160 5.822 449 H ILE 53 H ILE 53 -3.011 -14.959 9.738 450 HA ILE 53 HA ILE 53 -0.777 -13.401 10.612 451 HB ILE 53 HB ILE 53 -2.577 -14.428 12.115 452 HG12 ILE 53 1HG1 ILE 53 -0.965 -14.933 13.976 453 HG13 ILE 53 2HG1 ILE 53 0.341 -14.859 12.801 454 HG21 ILE 53 1HG2 ILE 53 -2.284 -16.682 12.959 455 HG22 ILE 53 2HG2 ILE 53 -2.389 -16.783 11.188 456 HG23 ILE 53 3HG2 ILE 53 -0.801 -16.909 12.000 457 HD11 ILE 53 3HD1 ILE 53 -1.493 -12.584 13.516 458 HD12 ILE 53 1HD1 ILE 53 0.154 -12.810 14.108 459 HD13 ILE 53 2HD1 ILE 53 -0.126 -12.497 12.384 460 H LYS 54 H LYS 54 -1.009 -16.603 9.103 461 HA LYS 54 HA LYS 54 1.679 -17.398 9.843 462 HB2 LYS 54 1HB LYS 54 -0.065 -18.244 7.497 463 HB3 LYS 54 2HB LYS 54 1.420 -19.055 7.987 464 HG2 LYS 54 1HG LYS 54 0.453 -19.760 10.077 465 HG3 LYS 54 2HG LYS 54 -0.985 -18.758 9.831 466 HD2 LYS 54 1HD LYS 54 -0.227 -21.044 7.973 467 HD3 LYS 54 2HD LYS 54 -1.289 -21.235 9.382 468 HE2 LYS 54 1HE LYS 54 -2.804 -19.477 8.452 469 HE3 LYS 54 2HE LYS 54 -1.786 -19.388 7.006 470 HZ1 LYS 54 3HZ LYS 54 -3.700 -20.806 6.669 471 HZ2 LYS 54 1HZ LYS 54 -3.260 -21.790 7.917 472 HZ3 LYS 54 2HZ LYS 54 -2.320 -21.703 6.563 473 H ARG 55 H ARG 55 0.266 -15.594 7.097 474 HA ARG 55 HA ARG 55 2.831 -15.418 5.664 475 HB2 ARG 55 1HB ARG 55 0.196 -13.888 5.518 476 HB3 ARG 55 2HB ARG 55 1.587 -13.504 4.492 477 HG2 ARG 55 1HG ARG 55 1.522 -15.645 3.438 478 HG3 ARG 55 2HG ARG 55 0.322 -16.254 4.594 479 HD2 ARG 55 1HD ARG 55 -1.340 -14.686 3.766 480 HD3 ARG 55 2HD ARG 55 -0.144 -13.941 2.694 481 HE ARG 55 HE ARG 55 -0.294 -15.732 1.208 482 HH11 ARG 55 1HH1 ARG 55 -2.146 -16.551 4.122 483 HH12 ARG 55 2HH1 ARG 55 -2.950 -17.874 3.314 484 HH21 ARG 55 1HH2 ARG 55 -1.288 -17.384 0.298 485 HH22 ARG 55 2HH2 ARG 55 -2.470 -18.351 1.166 486 H TRP 56 H TRP 56 1.063 -13.536 8.128 487 HA TRP 56 HA TRP 56 2.834 -11.298 8.035 488 HB2 TRP 56 1HB TRP 56 0.558 -11.460 9.168 489 HB3 TRP 56 2HB TRP 56 1.398 -12.240 10.521 490 HD1 TRP 56 HD1 TRP 56 2.346 -10.583 12.273 491 HE1 TRP 56 HE1 TRP 56 2.912 -8.103 12.426 492 HE3 TRP 56 HE3 TRP 56 1.400 -9.365 7.405 493 HZ2 TRP 56 HZ2 TRP 56 3.005 -5.885 10.641 494 HZ3 TRP 56 HZ3 TRP 56 1.779 -7.007 6.662 495 HH2 TRP 56 HH2 TRP 56 2.577 -5.285 8.281 496 H ARG 57 H ARG 57 3.115 -14.481 9.624 497 HA ARG 57 HA ARG 57 5.306 -13.834 11.353 498 HB2 ARG 57 1HB ARG 57 5.189 -16.429 9.797 499 HB3 ARG 57 2HB ARG 57 5.947 -16.127 11.350 500 HG2 ARG 57 1HG ARG 57 3.010 -16.416 10.759 501 HG3 ARG 57 2HG ARG 57 4.018 -17.505 11.682 502 HD2 ARG 57 1HD ARG 57 4.298 -15.539 13.289 503 HD3 ARG 57 2HD ARG 57 2.930 -14.801 12.449 504 HE ARG 57 HE ARG 57 2.313 -17.484 13.256 505 HH11 ARG 57 1HH1 ARG 57 2.605 -14.233 14.603 506 HH12 ARG 57 2HH1 ARG 57 1.389 -14.543 15.836 507 HH21 ARG 57 1HH2 ARG 57 0.811 -17.791 14.915 508 HH22 ARG 57 2HH2 ARG 57 0.432 -16.478 16.007 509 H ARG 58 H ARG 58 5.165 -14.745 7.920 510 HA ARG 58 HA ARG 58 7.980 -14.812 7.484 511 HB2 ARG 58 1HB ARG 58 5.722 -14.283 5.534 512 HB3 ARG 58 2HB ARG 58 7.382 -14.656 5.089 513 HG2 ARG 58 1HG ARG 58 6.358 -16.662 6.932 514 HG3 ARG 58 2HG ARG 58 5.277 -16.472 5.534 515 HD2 ARG 58 1HD ARG 58 6.955 -18.131 5.031 516 HD3 ARG 58 2HD ARG 58 7.227 -16.686 4.037 517 HE ARG 58 HE ARG 58 8.734 -16.899 6.604 518 HH11 ARG 58 1HH1 ARG 58 8.904 -17.137 3.063 519 HH12 ARG 58 2HH1 ARG 58 10.643 -17.019 3.071 520 HH21 ARG 58 1HH2 ARG 58 10.886 -16.775 6.520 521 HH22 ARG 58 2HH2 ARG 58 11.757 -16.821 5.001 522 H VAL 59 H VAL 59 5.777 -12.089 7.595 523 HA VAL 59 HA VAL 59 7.483 -10.243 6.169 524 HB VAL 59 HB VAL 59 5.460 -9.744 8.400 525 HG11 VAL 59 1HG1 VAL 59 5.385 -7.433 7.478 526 HG12 VAL 59 2HG1 VAL 59 6.937 -7.858 8.219 527 HG13 VAL 59 3HG1 VAL 59 6.787 -7.842 6.452 528 HG21 VAL 59 3HG2 VAL 59 4.439 -10.816 6.509 529 HG22 VAL 59 1HG2 VAL 59 3.963 -9.113 6.548 530 HG23 VAL 59 2HG2 VAL 59 5.199 -9.661 5.393 531 H GLY 60 H GLY 60 7.201 -11.422 9.493 532 HA2 GLY 60 1HA GLY 60 9.142 -9.595 10.571 533 HA3 GLY 60 2HA GLY 60 8.533 -11.089 11.312 534 H ASP 61 H ASP 61 9.276 -12.900 9.218 535 HA ASP 61 HA ASP 61 12.006 -13.462 9.797 536 HB2 ASP 61 1HB ASP 61 10.478 -14.176 7.245 537 HB3 ASP 61 2HB ASP 61 11.970 -14.933 7.803 538 H CYS 62 H CYS 62 10.392 -11.764 7.121 539 HA CYS 62 HA CYS 62 12.696 -11.226 5.557 540 HB2 CYS 62 1HB CYS 62 9.906 -10.558 5.597 541 HB3 CYS 62 2HB CYS 62 10.824 -9.074 5.356 542 HG CYS 62 HG CYS 62 10.374 -9.548 3.034 543 H PHE 63 H PHE 63 11.122 -9.202 8.125 544 HA PHE 63 HA PHE 63 12.990 -7.033 7.773 545 HB2 PHE 63 1HB PHE 63 11.487 -7.885 10.271 546 HB3 PHE 63 2HB PHE 63 12.382 -6.381 10.100 547 HD1 PHE 63 HD1 PHE 63 11.541 -5.631 7.246 548 HD2 PHE 63 HD2 PHE 63 9.294 -7.026 10.645 549 HE1 PHE 63 HE1 PHE 63 9.520 -4.478 6.377 550 HE2 PHE 63 HE2 PHE 63 7.275 -5.844 9.787 551 HZ PHE 63 HZ PHE 63 7.381 -4.579 7.645 552 H GLN 64 H GLN 64 13.022 -10.016 9.734 553 HA GLN 64 HA GLN 64 15.317 -9.313 11.298 554 HB2 GLN 64 1HB GLN 64 13.740 -11.151 11.848 555 HB3 GLN 64 2HB GLN 64 14.284 -12.034 10.422 556 HG2 GLN 64 1HG GLN 64 16.586 -12.087 11.403 557 HG3 GLN 64 2HG GLN 64 15.917 -11.380 12.882 558 HE21 GLN 64 2HE2 GLN 64 15.709 -14.141 10.651 559 HE22 GLN 64 1HE2 GLN 64 15.128 -15.274 11.852 560 H ASP 65 H ASP 65 14.963 -11.208 8.266 561 HA ASP 65 HA ASP 65 17.755 -11.779 8.064 562 HB2 ASP 65 1HB ASP 65 15.536 -11.665 5.995 563 HB3 ASP 65 2HB ASP 65 17.179 -12.223 5.647 564 H TYR 66 H TYR 66 15.732 -9.146 6.718 565 HA TYR 66 HA TYR 66 17.858 -7.961 5.195 566 HB2 TYR 66 1HB TYR 66 15.256 -7.572 5.222 567 HB3 TYR 66 2HB TYR 66 15.631 -6.339 6.418 568 HD1 TYR 66 HD2 TYR 66 17.875 -4.822 5.488 569 HD2 TYR 66 HD1 TYR 66 14.912 -6.817 3.082 570 HE1 TYR 66 HE2 TYR 66 18.368 -3.284 3.591 571 HE2 TYR 66 HE1 TYR 66 15.386 -5.251 1.210 572 HH TYR 66 HH TYR 66 16.630 -3.546 0.461 573 H PHE 67 H PHE 67 16.721 -7.580 8.573 574 HA PHE 67 HA PHE 67 18.460 -5.375 9.232 575 HB2 PHE 67 1HB PHE 67 16.500 -6.094 10.573 576 HB3 PHE 67 2HB PHE 67 17.345 -7.584 11.003 577 HD1 PHE 67 HD2 PHE 67 19.329 -7.519 12.514 578 HD2 PHE 67 HD1 PHE 67 16.984 -4.011 11.664 579 HE1 PHE 67 HE2 PHE 67 20.326 -6.377 14.487 580 HE2 PHE 67 HE1 PHE 67 17.955 -2.873 13.639 581 HZ PHE 67 HZ PHE 67 19.638 -4.050 15.060 582 H ASN 68 H ASN 68 18.901 -8.938 9.357 583 HA ASN 68 HA ASN 68 21.482 -8.777 10.644 584 HB2 ASN 68 1HB ASN 68 20.191 -10.925 8.913 585 HB3 ASN 68 2HB ASN 68 21.748 -11.121 9.731 586 HD21 ASN 68 2HD2 ASN 68 19.269 -12.623 10.075 587 HD22 ASN 68 1HD2 ASN 68 18.871 -12.466 11.767 588 H THR 69 H THR 69 20.399 -8.637 7.285 589 HA THR 69 HA THR 69 23.066 -8.970 6.179 590 HB THR 69 HB THR 69 20.536 -7.857 4.858 591 HG1 THR 69 HG1 THR 69 20.131 -9.926 5.646 592 HG21 THR 69 1HG2 THR 69 23.057 -9.128 3.715 593 HG22 THR 69 2HG2 THR 69 22.523 -7.443 3.495 594 HG23 THR 69 3HG2 THR 69 21.585 -8.776 2.785 595 H PHE 70 H PHE 70 20.929 -6.173 6.840 596 HA PHE 70 HA PHE 70 23.089 -4.404 5.765 597 HB2 PHE 70 1HB PHE 70 20.338 -4.718 5.133 598 HB3 PHE 70 2HB PHE 70 20.543 -3.133 5.860 599 HD1 PHE 70 HD2 PHE 70 22.537 -1.673 4.930 600 HD2 PHE 70 HD1 PHE 70 20.814 -5.037 2.870 601 HE1 PHE 70 HE2 PHE 70 23.457 -0.819 2.780 602 HE2 PHE 70 HE1 PHE 70 21.730 -4.192 0.713 603 HZ PHE 70 HZ PHE 70 23.055 -2.078 0.664 604 H GLY 71 H GLY 71 21.852 -5.244 8.730 605 HA2 GLY 71 1HA GLY 71 22.393 -4.291 10.740 606 HA3 GLY 71 2HA GLY 71 23.116 -2.925 9.892 607 HA PRO 72 HA PRO 72 19.165 -1.721 12.120 608 HB2 PRO 72 1HB PRO 72 20.221 -0.052 13.991 609 HB3 PRO 72 2HB PRO 72 20.192 -1.829 14.215 610 HG2 PRO 72 1HG PRO 72 22.422 -0.103 13.176 611 HG3 PRO 72 2HG PRO 72 22.457 -1.315 14.499 612 HD2 PRO 72 1HD PRO 72 23.259 -1.943 12.004 613 HD3 PRO 72 2HD PRO 72 22.335 -3.121 13.002 614 H GLU 73 H GLU 73 21.703 -0.112 10.460 615 HA GLU 73 HA GLU 73 20.554 2.554 10.589 616 HB2 GLU 73 1HB GLU 73 22.616 1.330 8.723 617 HB3 GLU 73 2HB GLU 73 22.225 3.056 8.840 618 HG2 GLU 73 1HG GLU 73 22.935 3.026 11.228 619 HG3 GLU 73 2HG GLU 73 23.391 1.322 11.055 620 H LYS 74 H LYS 74 20.368 -0.254 8.423 621 HA LYS 74 HA LYS 74 18.766 1.300 6.490 622 HB2 LYS 74 1HB LYS 74 20.507 -0.749 6.189 623 HB3 LYS 74 2HB LYS 74 18.990 -1.651 6.237 624 HG2 LYS 74 1HG LYS 74 19.597 0.649 4.324 625 HG3 LYS 74 2HG LYS 74 19.753 -1.069 3.929 626 HD2 LYS 74 1HD LYS 74 17.301 -1.347 4.446 627 HD3 LYS 74 2HD LYS 74 17.191 0.417 4.602 628 HE2 LYS 74 1HE LYS 74 17.994 0.687 2.290 629 HE3 LYS 74 2HE LYS 74 18.131 -1.075 2.126 630 HZ1 LYS 74 3HZ LYS 74 16.054 -0.187 1.188 631 HZ2 LYS 74 1HZ LYS 74 15.588 0.358 2.672 632 HZ3 LYS 74 2HZ LYS 74 15.752 -1.259 2.403 633 H VAL 75 H VAL 75 18.297 -1.381 8.864 634 HA VAL 75 HA VAL 75 15.346 -0.938 8.464 635 HB VAL 75 HB VAL 75 16.812 -3.392 9.560 636 HG11 VAL 75 1HG1 VAL 75 14.606 -3.150 10.616 637 HG12 VAL 75 2HG1 VAL 75 13.839 -2.942 9.023 638 HG13 VAL 75 3HG1 VAL 75 14.577 -4.499 9.466 639 HG21 VAL 75 3HG2 VAL 75 15.955 -4.517 7.505 640 HG22 VAL 75 1HG2 VAL 75 15.433 -2.932 6.891 641 HG23 VAL 75 2HG2 VAL 75 17.159 -3.262 7.178 642 HA PRO 76 HA PRO 76 16.060 0.477 12.598 643 HB2 PRO 76 1HB PRO 76 13.607 1.360 13.326 644 HB3 PRO 76 2HB PRO 76 14.579 2.210 12.096 645 HG2 PRO 76 1HG PRO 76 12.328 0.276 11.707 646 HG3 PRO 76 2HG PRO 76 12.605 1.853 10.916 647 HD2 PRO 76 1HD PRO 76 13.269 -0.566 9.777 648 HD3 PRO 76 2HD PRO 76 14.146 0.965 9.430 649 H VAL 77 H VAL 77 15.772 -0.297 14.752 650 HA VAL 77 HA VAL 77 14.724 -2.951 15.028 651 HB VAL 77 HB VAL 77 15.049 -2.607 17.474 652 HG11 VAL 77 1HG1 VAL 77 16.937 -3.296 16.024 653 HG12 VAL 77 2HG1 VAL 77 17.380 -1.589 15.790 654 HG13 VAL 77 3HG1 VAL 77 17.484 -2.326 17.406 655 HG21 VAL 77 3HG2 VAL 77 15.870 0.243 16.719 656 HG22 VAL 77 1HG2 VAL 77 14.408 -0.210 17.633 657 HG23 VAL 77 2HG2 VAL 77 16.013 -0.500 18.324 658 H THR 78 H THR 78 13.228 0.182 15.108 659 HA THR 78 HA THR 78 10.952 -0.639 16.692 660 HB THR 78 HB THR 78 11.766 1.792 16.160 661 HG1 THR 78 HG1 THR 78 9.732 2.473 16.722 662 HG21 THR 78 1HG2 THR 78 10.675 2.938 14.395 663 HG22 THR 78 2HG2 THR 78 9.704 1.510 13.978 664 HG23 THR 78 3HG2 THR 78 11.451 1.525 13.661 665 H ALA 79 H ALA 79 11.921 -1.265 13.408 666 HA ALA 79 HA ALA 79 9.302 -1.443 12.255 667 HB1 ALA 79 3HB ALA 79 11.324 -1.497 10.879 668 HB2 ALA 79 1HB ALA 79 11.842 -3.015 11.647 669 HB3 ALA 79 2HB ALA 79 10.385 -2.984 10.626 670 H PHE 80 H PHE 80 11.251 -3.681 14.232 671 HA PHE 80 HA PHE 80 9.427 -5.899 13.957 672 HB2 PHE 80 1HB PHE 80 11.446 -5.265 16.138 673 HB3 PHE 80 2HB PHE 80 10.672 -6.831 15.866 674 HD1 PHE 80 HD1 PHE 80 11.241 -8.187 13.868 675 HD2 PHE 80 HD2 PHE 80 13.287 -4.513 14.761 676 HE1 PHE 80 HE1 PHE 80 13.045 -8.812 12.291 677 HE2 PHE 80 HE2 PHE 80 15.093 -5.114 13.164 678 HZ PHE 80 HZ PHE 80 14.975 -7.271 11.922 679 H SER 81 H SER 81 9.663 -3.133 16.133 680 HA SER 81 HA SER 81 7.783 -4.132 18.097 681 HB2 SER 81 1HB SER 81 9.415 -2.308 18.564 682 HB3 SER 81 2HB SER 81 8.552 -1.261 17.417 683 HG SER 81 HG SER 81 7.929 -0.974 19.638 684 H TYR 82 H TYR 82 7.593 -1.939 15.282 685 HA TYR 82 HA TYR 82 4.773 -1.478 15.422 686 HB2 TYR 82 1HB TYR 82 6.954 -1.182 13.403 687 HB3 TYR 82 2HB TYR 82 5.300 -1.278 12.779 688 HD1 TYR 82 HD2 TYR 82 7.598 0.725 14.945 689 HD2 TYR 82 HD1 TYR 82 3.692 0.436 13.155 690 HE1 TYR 82 HE2 TYR 82 7.162 3.107 15.521 691 HE2 TYR 82 HE1 TYR 82 3.273 2.848 13.726 692 HH TYR 82 HH TYR 82 5.686 4.843 15.440 693 H TRP 83 H TRP 83 6.756 -3.955 13.788 694 HA TRP 83 HA TRP 83 4.684 -5.187 12.338 695 HB2 TRP 83 1HB TRP 83 7.057 -5.704 12.020 696 HB3 TRP 83 2HB TRP 83 7.182 -6.312 13.660 697 HD1 TRP 83 HD1 TRP 83 5.639 -7.320 10.283 698 HE1 TRP 83 HE1 TRP 83 5.308 -9.842 10.211 699 HE3 TRP 83 HE3 TRP 83 6.919 -8.355 15.130 700 HZ2 TRP 83 HZ2 TRP 83 5.647 -12.025 11.985 701 HZ3 TRP 83 HZ3 TRP 83 6.941 -10.730 15.880 702 HH2 TRP 83 HH2 TRP 83 6.313 -12.555 14.300 703 H ASN 84 H ASN 84 5.787 -5.680 15.696 704 HA ASN 84 HA ASN 84 4.095 -7.918 16.245 705 HB2 ASN 84 1HB ASN 84 5.673 -5.967 17.860 706 HB3 ASN 84 2HB ASN 84 4.383 -6.849 18.686 707 HD21 ASN 84 2HD2 ASN 84 7.570 -6.987 17.497 708 HD22 ASN 84 1HD2 ASN 84 7.853 -8.678 17.845 709 H LEU 85 H LEU 85 3.476 -4.444 16.216 710 HA LEU 85 HA LEU 85 1.125 -4.503 17.849 711 HB2 LEU 85 1HB LEU 85 2.489 -2.501 17.188 712 HB3 LEU 85 2HB LEU 85 1.793 -2.593 15.579 713 HG LEU 85 HG LEU 85 -0.017 -2.313 17.969 714 HD11 LEU 85 1HD1 LEU 85 1.511 -0.059 16.597 715 HD12 LEU 85 2HD1 LEU 85 1.737 -0.619 18.271 716 HD13 LEU 85 3HD1 LEU 85 0.209 0.146 17.793 717 HD21 LEU 85 3HD2 LEU 85 -1.371 -0.977 16.339 718 HD22 LEU 85 1HD2 LEU 85 -1.113 -2.644 15.800 719 HD23 LEU 85 2HD2 LEU 85 -0.162 -1.324 15.081 720 H ILE 86 H ILE 86 1.606 -4.868 14.288 721 HA ILE 86 HA ILE 86 -1.274 -5.205 13.925 722 HB ILE 86 HB ILE 86 0.957 -5.835 11.964 723 HG12 ILE 86 1HG1 ILE 86 -0.429 -3.500 11.200 724 HG13 ILE 86 2HG1 ILE 86 -0.128 -3.301 12.928 725 HG21 ILE 86 1HG2 ILE 86 -0.918 -5.507 10.292 726 HG22 ILE 86 2HG2 ILE 86 -1.116 -6.928 11.330 727 HG23 ILE 86 3HG2 ILE 86 -2.059 -5.461 11.665 728 HD11 ILE 86 3HD1 ILE 86 2.296 -3.972 12.399 729 HD12 ILE 86 1HD1 ILE 86 1.869 -3.686 10.697 730 HD13 ILE 86 2HD1 ILE 86 1.754 -2.362 11.883 731 H LYS 87 H LYS 87 1.569 -7.205 14.453 732 HA LYS 87 HA LYS 87 0.604 -9.709 13.592 733 HB2 LYS 87 1HB LYS 87 2.927 -9.143 14.422 734 HB3 LYS 87 2HB LYS 87 2.274 -9.125 16.055 735 HG2 LYS 87 1HG LYS 87 1.546 -11.556 15.562 736 HG3 LYS 87 2HG LYS 87 2.718 -11.446 14.227 737 HD2 LYS 87 1HD LYS 87 4.199 -12.078 15.865 738 HD3 LYS 87 2HD LYS 87 4.182 -10.352 16.225 739 HE2 LYS 87 1HE LYS 87 2.360 -10.723 17.890 740 HE3 LYS 87 2HE LYS 87 2.452 -12.470 17.576 741 HZ1 LYS 87 3HZ LYS 87 4.743 -12.421 18.356 742 HZ2 LYS 87 1HZ LYS 87 3.746 -11.811 19.522 743 HZ3 LYS 87 2HZ LYS 87 4.673 -10.790 18.610 744 H GLU 88 H GLU 88 0.295 -8.178 16.848 745 HA GLU 88 HA GLU 88 -1.251 -10.392 17.858 746 HB2 GLU 88 1HB GLU 88 -1.654 -8.994 19.790 747 HB3 GLU 88 2HB GLU 88 0.035 -8.856 19.287 748 HG2 GLU 88 1HG GLU 88 -0.586 -6.735 18.093 749 HG3 GLU 88 2HG GLU 88 -2.175 -6.832 18.861 750 H LEU 89 H LEU 89 -2.098 -7.504 16.029 751 HA LEU 89 HA LEU 89 -4.904 -7.623 16.684 752 HB2 LEU 89 1HB LEU 89 -3.373 -6.257 14.477 753 HB3 LEU 89 2HB LEU 89 -5.126 -6.185 14.605 754 HG LEU 89 HG LEU 89 -3.180 -5.171 16.701 755 HD11 LEU 89 1HD1 LEU 89 -3.940 -2.942 15.974 756 HD12 LEU 89 2HD1 LEU 89 -4.951 -3.692 14.716 757 HD13 LEU 89 3HD1 LEU 89 -3.178 -3.830 14.642 758 HD21 LEU 89 3HD2 LEU 89 -6.213 -5.134 16.599 759 HD22 LEU 89 1HD2 LEU 89 -5.260 -4.054 17.639 760 HD23 LEU 89 2HD2 LEU 89 -5.168 -5.808 17.865 761 H ILE 90 H ILE 90 -2.912 -9.044 14.071 762 HA ILE 90 HA ILE 90 -5.301 -10.141 12.777 763 HB ILE 90 HB ILE 90 -2.404 -11.057 12.447 764 HG12 ILE 90 1HG1 ILE 90 -3.964 -9.269 10.562 765 HG13 ILE 90 2HG1 ILE 90 -2.872 -8.632 11.793 766 HG21 ILE 90 1HG2 ILE 90 -3.240 -12.084 10.327 767 HG22 ILE 90 2HG2 ILE 90 -4.122 -12.737 11.714 768 HG23 ILE 90 3HG2 ILE 90 -4.879 -11.499 10.689 769 HD11 ILE 90 3HD1 ILE 90 -2.035 -10.502 9.490 770 HD12 ILE 90 1HD1 ILE 90 -1.698 -8.759 9.613 771 HD13 ILE 90 2HD1 ILE 90 -0.955 -9.889 10.765 772 H ASP 91 H ASP 91 -2.822 -11.273 15.117 773 HA ASP 91 HA ASP 91 -3.542 -14.019 15.190 774 HB2 ASP 91 1HB ASP 91 -1.845 -12.267 16.674 775 HB3 ASP 91 2HB ASP 91 -2.877 -13.070 17.852 776 H LYS 92 H LYS 92 -4.925 -11.201 16.860 777 HA LYS 92 HA LYS 92 -7.063 -13.006 17.937 778 HB2 LYS 92 1HB LYS 92 -6.088 -10.333 19.002 779 HB3 LYS 92 2HB LYS 92 -7.388 -11.326 19.677 780 HG2 LYS 92 1HG LYS 92 -5.536 -13.194 19.725 781 HG3 LYS 92 2HG LYS 92 -4.429 -11.803 19.713 782 HD2 LYS 92 1HD LYS 92 -5.611 -10.891 21.688 783 HD3 LYS 92 2HD LYS 92 -6.705 -12.293 21.664 784 HE2 LYS 92 1HE LYS 92 -4.758 -13.801 21.962 785 HE3 LYS 92 2HE LYS 92 -3.687 -12.385 22.048 786 HZ1 LYS 92 3HZ LYS 92 -4.304 -13.171 24.248 787 HZ2 LYS 92 1HZ LYS 92 -5.909 -12.975 23.921 788 HZ3 LYS 92 2HZ LYS 92 -4.918 -11.659 24.005 789 H LYS 93 H LYS 93 -7.076 -11.924 15.230 790 HA LYS 93 HA LYS 93 -8.746 -9.596 15.121 791 HB2 LYS 93 1HB LYS 93 -9.109 -10.098 12.819 792 HB3 LYS 93 2HB LYS 93 -7.432 -10.465 13.214 793 HG2 LYS 93 1HG LYS 93 -8.078 -12.897 13.386 794 HG3 LYS 93 2HG LYS 93 -9.690 -12.445 12.792 795 HD2 LYS 93 1HD LYS 93 -8.625 -11.459 10.761 796 HD3 LYS 93 2HD LYS 93 -7.044 -11.985 11.363 797 HE2 LYS 93 1HE LYS 93 -7.794 -13.595 9.738 798 HE3 LYS 93 2HE LYS 93 -7.874 -14.351 11.344 799 HZ1 LYS 93 3HZ LYS 93 -10.187 -13.161 9.911 800 HZ2 LYS 93 1HZ LYS 93 -10.249 -13.936 11.366 801 HZ3 LYS 93 2HZ LYS 93 -9.862 -14.777 9.999 802 H GLU 94 H GLU 94 -9.425 -12.882 15.891 803 HA GLU 94 HA GLU 94 -12.160 -13.058 15.159 804 HB2 GLU 94 1HB GLU 94 -12.170 -14.783 17.068 805 HB3 GLU 94 2HB GLU 94 -11.087 -15.062 15.699 806 HG2 GLU 94 1HG GLU 94 -9.162 -14.286 16.976 807 HG3 GLU 94 2HG GLU 94 -10.201 -13.811 18.327 808 H VAL 95 H VAL 95 -10.634 -11.641 18.057 809 HA VAL 95 HA VAL 95 -13.367 -11.075 19.120 810 HB VAL 95 HB VAL 95 -12.215 -10.559 21.270 811 HG11 VAL 95 1HG1 VAL 95 -13.095 -12.840 20.781 812 HG12 VAL 95 2HG1 VAL 95 -11.494 -13.316 20.171 813 HG13 VAL 95 3HG1 VAL 95 -11.702 -12.870 21.880 814 HG21 VAL 95 3HG2 VAL 95 -9.693 -11.608 19.903 815 HG22 VAL 95 1HG2 VAL 95 -9.996 -9.903 20.322 816 HG23 VAL 95 2HG2 VAL 95 -9.860 -11.122 21.603 817 H ASN 96 H ASN 96 -11.355 -9.735 17.042 818 HA ASN 96 HA ASN 96 -12.018 -6.954 17.950 819 HB2 ASN 96 1HB ASN 96 -9.491 -8.031 16.664 820 HB3 ASN 96 2HB ASN 96 -9.954 -6.328 16.547 821 HD21 ASN 96 2HD2 ASN 96 -8.537 -8.745 18.503 822 HD22 ASN 96 1HD2 ASN 96 -8.241 -7.715 19.890 823 HA PRO 97 HA PRO 97 -13.841 -8.233 13.918 824 HB2 PRO 97 1HB PRO 97 -16.248 -6.925 14.104 825 HB3 PRO 97 2HB PRO 97 -15.943 -8.537 14.828 826 HG2 PRO 97 1HG PRO 97 -15.781 -5.829 16.145 827 HG3 PRO 97 2HG PRO 97 -16.677 -7.291 16.678 828 HD2 PRO 97 1HD PRO 97 -14.265 -6.730 17.703 829 HD3 PRO 97 2HD PRO 97 -14.695 -8.425 17.276 830 H GLN 98 H GLN 98 -13.412 -5.067 15.378 831 HA GLN 98 HA GLN 98 -13.941 -3.517 13.032 832 HB2 GLN 98 1HB GLN 98 -12.474 -1.804 14.226 833 HB3 GLN 98 2HB GLN 98 -13.943 -2.323 15.058 834 HG2 GLN 98 1HG GLN 98 -12.622 -3.820 16.507 835 HG3 GLN 98 2HG GLN 98 -11.143 -3.330 15.663 836 HE21 GLN 98 2HE2 GLN 98 -12.919 -2.834 18.383 837 HE22 GLN 98 1HE2 GLN 98 -12.355 -1.230 18.775 838 H VAL 99 H VAL 99 -11.009 -5.169 14.292 839 HA VAL 99 HA VAL 99 -9.507 -4.034 12.071 840 HB VAL 99 HB VAL 99 -7.522 -4.896 12.934 841 HG11 VAL 99 1HG1 VAL 99 -8.733 -3.159 14.378 842 HG12 VAL 99 2HG1 VAL 99 -9.125 -4.495 15.486 843 HG13 VAL 99 3HG1 VAL 99 -7.434 -4.072 15.159 844 HG21 VAL 99 3HG2 VAL 99 -7.454 -6.624 14.788 845 HG22 VAL 99 1HG2 VAL 99 -9.169 -6.922 14.468 846 HG23 VAL 99 2HG2 VAL 99 -7.969 -7.219 13.201 847 H MET 100 H MET 100 -11.196 -7.006 12.854 848 HA MET 100 HA MET 100 -10.142 -8.638 10.764 849 HB2 MET 100 1HB MET 100 -11.544 -9.583 12.491 850 HB3 MET 100 2HB MET 100 -12.871 -8.500 12.081 851 HG2 MET 100 1HG MET 100 -13.274 -10.789 11.305 852 HG3 MET 100 2HG MET 100 -13.240 -9.619 9.979 853 HE1 MET 100 3HE MET 100 -11.258 -11.429 7.498 854 HE2 MET 100 1HE MET 100 -12.912 -11.676 8.114 855 HE3 MET 100 2HE MET 100 -12.272 -10.024 7.922 856 H ALA 101 H ALA 101 -12.709 -6.129 10.800 857 HA ALA 101 HA ALA 101 -13.489 -6.539 8.086 858 HB1 ALA 101 3HB ALA 101 -13.507 -3.966 9.746 859 HB2 ALA 101 1HB ALA 101 -14.435 -4.255 8.254 860 HB3 ALA 101 2HB ALA 101 -14.797 -5.194 9.721 861 H ALA 102 H ALA 102 -10.713 -4.861 9.521 862 HA ALA 102 HA ALA 102 -10.018 -3.479 7.047 863 HB1 ALA 102 3HB ALA 102 -7.977 -2.856 8.250 864 HB2 ALA 102 1HB ALA 102 -9.407 -2.561 9.267 865 HB3 ALA 102 2HB ALA 102 -8.376 -3.981 9.562 866 H VAL 103 H VAL 103 -9.192 -6.524 8.683 867 HA VAL 103 HA VAL 103 -6.982 -7.327 7.027 868 HB VAL 103 HB VAL 103 -9.170 -8.970 8.441 869 HG11 VAL 103 1HG1 VAL 103 -6.545 -10.035 7.397 870 HG12 VAL 103 2HG1 VAL 103 -7.831 -10.944 8.195 871 HG13 VAL 103 3HG1 VAL 103 -8.103 -10.268 6.581 872 HG21 VAL 103 3HG2 VAL 103 -7.477 -9.371 10.169 873 HG22 VAL 103 1HG2 VAL 103 -6.290 -8.412 9.256 874 HG23 VAL 103 2HG2 VAL 103 -7.725 -7.637 9.952 875 H ALA 104 H ALA 104 -10.521 -7.976 6.769 876 HA ALA 104 HA ALA 104 -10.336 -9.296 4.254 877 HB1 ALA 104 3HB ALA 104 -12.652 -7.750 5.506 878 HB2 ALA 104 1HB ALA 104 -12.782 -8.850 4.110 879 HB3 ALA 104 2HB ALA 104 -12.302 -9.487 5.696 880 H GLN 105 H GLN 105 -10.856 -5.833 5.048 881 HA GLN 105 HA GLN 105 -11.330 -5.030 2.348 882 HB2 GLN 105 1HB GLN 105 -10.380 -3.617 4.831 883 HB3 GLN 105 2HB GLN 105 -10.271 -2.810 3.261 884 HG2 GLN 105 1HG GLN 105 -12.698 -3.223 2.913 885 HG3 GLN 105 2HG GLN 105 -12.787 -3.864 4.560 886 HE21 GLN 105 2HE2 GLN 105 -13.164 -2.474 6.161 887 HE22 GLN 105 1HE2 GLN 105 -13.050 -0.731 6.023 888 H THR 106 H THR 106 -8.270 -5.255 4.252 889 HA THR 106 HA THR 106 -6.644 -4.064 2.255 890 HB THR 106 HB THR 106 -5.789 -6.293 4.147 891 HG1 THR 106 HG1 THR 106 -6.760 -4.665 5.345 892 HG21 THR 106 1HG2 THR 106 -4.288 -3.962 2.896 893 HG22 THR 106 2HG2 THR 106 -4.097 -5.681 2.467 894 HG23 THR 106 3HG2 THR 106 -3.625 -5.110 4.078 895 H GLU 107 H GLU 107 -7.665 -7.470 2.735 896 HA GLU 107 HA GLU 107 -6.063 -8.620 0.708 897 HB2 GLU 107 1HB GLU 107 -8.849 -9.347 1.689 898 HB3 GLU 107 2HB GLU 107 -7.897 -10.356 0.587 899 HG2 GLU 107 1HG GLU 107 -6.123 -10.497 2.245 900 HG3 GLU 107 2HG GLU 107 -7.053 -9.501 3.351 901 H GLU 108 H GLU 108 -9.445 -7.375 0.419 902 HA GLU 108 HA GLU 108 -9.446 -7.923 -2.418 903 HB2 GLU 108 1HB GLU 108 -11.321 -6.336 -0.651 904 HB3 GLU 108 2HB GLU 108 -11.598 -6.644 -2.375 905 HG2 GLU 108 1HG GLU 108 -11.354 -8.725 -0.176 906 HG3 GLU 108 2HG GLU 108 -12.824 -8.283 -1.061 907 H ILE 109 H ILE 109 -8.643 -5.067 -0.514 908 HA ILE 109 HA ILE 109 -8.677 -3.211 -2.724 909 HB ILE 109 HB ILE 109 -7.108 -3.271 -0.103 910 HG12 ILE 109 1HG1 ILE 109 -9.256 -1.335 -1.044 911 HG13 ILE 109 2HG1 ILE 109 -9.646 -2.839 -0.212 912 HG21 ILE 109 1HG2 ILE 109 -5.684 -2.062 -1.632 913 HG22 ILE 109 2HG2 ILE 109 -7.055 -1.161 -2.310 914 HG23 ILE 109 3HG2 ILE 109 -6.510 -0.853 -0.646 915 HD11 ILE 109 3HD1 ILE 109 -8.214 -2.076 1.726 916 HD12 ILE 109 1HD1 ILE 109 -8.054 -0.499 0.913 917 HD13 ILE 109 2HD1 ILE 109 -9.655 -1.077 1.428 918 H LEU 110 H LEU 110 -6.200 -5.487 -1.387 919 HA LEU 110 HA LEU 110 -4.190 -4.680 -3.226 920 HB2 LEU 110 1HB LEU 110 -4.666 -6.920 -1.384 921 HB3 LEU 110 2HB LEU 110 -3.725 -7.370 -2.798 922 HG LEU 110 HG LEU 110 -2.255 -6.758 -0.951 923 HD11 LEU 110 1HD1 LEU 110 -2.190 -4.652 -3.152 924 HD12 LEU 110 2HD1 LEU 110 -1.521 -6.295 -3.261 925 HD13 LEU 110 3HD1 LEU 110 -0.847 -5.125 -2.105 926 HD21 LEU 110 3HD2 LEU 110 -3.703 -5.150 0.232 927 HD22 LEU 110 1HD2 LEU 110 -3.486 -3.972 -1.078 928 HD23 LEU 110 2HD2 LEU 110 -2.099 -4.472 -0.087 929 H LYS 111 H LYS 111 -6.804 -7.087 -3.621 930 HA LYS 111 HA LYS 111 -5.837 -8.293 -6.005 931 HB2 LYS 111 1HB LYS 111 -8.746 -7.593 -5.455 932 HB3 LYS 111 2HB LYS 111 -8.151 -8.876 -6.507 933 HG2 LYS 111 1HG LYS 111 -7.749 -8.774 -3.525 934 HG3 LYS 111 2HG LYS 111 -9.076 -9.621 -4.300 935 HD2 LYS 111 1HD LYS 111 -7.605 -11.218 -5.273 936 HD3 LYS 111 2HD LYS 111 -6.172 -10.237 -4.897 937 HE2 LYS 111 1HE LYS 111 -6.355 -12.075 -3.299 938 HE3 LYS 111 2HE LYS 111 -6.562 -10.511 -2.501 939 HZ1 LYS 111 3HZ LYS 111 -8.757 -12.364 -3.202 940 HZ2 LYS 111 1HZ LYS 111 -8.964 -10.892 -2.491 941 HZ3 LYS 111 2HZ LYS 111 -8.160 -12.086 -1.691 942 H SER 112 H SER 112 -7.775 -5.338 -5.538 943 HA SER 112 HA SER 112 -7.987 -4.786 -8.372 944 HB2 SER 112 1HB SER 112 -9.575 -3.973 -6.619 945 HB3 SER 112 2HB SER 112 -8.299 -2.905 -5.998 946 HG SER 112 HG SER 112 -9.685 -1.830 -7.462 947 H ASN 113 H ASN 113 -5.845 -3.628 -5.751 948 HA ASN 113 HA ASN 113 -4.565 -1.595 -7.306 949 HB2 ASN 113 1HB ASN 113 -3.686 -3.146 -4.847 950 HB3 ASN 113 2HB ASN 113 -2.743 -1.827 -5.551 951 HD21 ASN 113 2HD2 ASN 113 -3.283 -1.349 -3.116 952 HD22 ASN 113 1HD2 ASN 113 -4.614 -0.236 -2.895 953 H SER 114 H SER 114 -4.067 -5.064 -7.210 954 HA SER 114 HA SER 114 -1.335 -5.068 -8.056 955 HB2 SER 114 1HB SER 114 -3.500 -7.173 -8.371 956 HB3 SER 114 2HB SER 114 -1.761 -7.444 -8.618 957 HG SER 114 HG SER 114 -3.093 -6.709 -6.209 958 H GLN 115 H GLN 115 -3.850 -3.895 -9.766 959 HA GLN 115 HA GLN 115 -3.190 -4.946 -12.405 960 HB2 GLN 115 1HB GLN 115 -5.372 -3.796 -11.337 961 HB3 GLN 115 2HB GLN 115 -4.630 -2.347 -12.018 962 HG2 GLN 115 1HG GLN 115 -4.587 -3.466 -14.247 963 HG3 GLN 115 2HG GLN 115 -5.391 -4.872 -13.527 964 HE21 GLN 115 2HE2 GLN 115 -7.373 -4.011 -12.051 965 HE22 GLN 115 1HE2 GLN 115 -8.471 -2.991 -12.948 966 H THR 116 H THR 116 -1.377 -3.025 -10.410 967 HA THR 116 HA THR 116 -0.602 -1.130 -12.559 968 HB THR 116 HB THR 116 0.427 0.178 -10.686 969 HG1 THR 116 HG1 THR 116 -1.151 -1.523 -9.027 970 HG21 THR 116 1HG2 THR 116 -1.684 1.101 -9.935 971 HG22 THR 116 2HG2 THR 116 -2.541 -0.383 -10.406 972 HG23 THR 116 3HG2 THR 116 -1.816 0.659 -11.653 973 H ASP 117 H ASP 117 0.815 -2.213 -13.742 974 HA ASP 117 HA ASP 117 3.174 -3.492 -12.588 975 HB2 ASP 117 1HB ASP 117 1.780 -3.460 -15.074 976 HB3 ASP 117 2HB ASP 117 3.423 -2.932 -15.424 977 H LEU 118 H LEU 118 3.426 -1.278 -11.340 978 HA LEU 118 HA LEU 118 4.980 0.614 -13.004 979 HB2 LEU 118 1HB LEU 118 3.510 1.080 -10.427 980 HB3 LEU 118 2HB LEU 118 4.397 2.309 -11.315 981 HG LEU 118 HG LEU 118 1.929 0.865 -12.343 982 HD11 LEU 118 1HD1 LEU 118 1.458 2.328 -10.415 983 HD12 LEU 118 2HD1 LEU 118 0.773 2.988 -11.913 984 HD13 LEU 118 3HD1 LEU 118 2.267 3.682 -11.240 985 HD21 LEU 118 3HD2 LEU 118 3.334 1.607 -14.191 986 HD22 LEU 118 1HD2 LEU 118 3.498 3.224 -13.462 987 HD23 LEU 118 2HD2 LEU 118 1.918 2.666 -14.065 988 H GLU 119 H GLU 119 5.352 -1.455 -10.511 989 HA GLU 119 HA GLU 119 7.613 0.024 -9.326 990 HB2 GLU 119 1HB GLU 119 6.035 -1.208 -7.856 991 HB3 GLU 119 2HB GLU 119 6.635 -2.732 -8.543 992 HG2 GLU 119 1HG GLU 119 8.938 -2.127 -7.810 993 HG3 GLU 119 2HG GLU 119 8.309 -0.633 -7.105 994 H HIS 120 H HIS 120 9.404 0.043 -10.516 995 HA HIS 120 HA HIS 120 10.500 -2.623 -11.275 996 HB2 HIS 120 1HB HIS 120 10.577 -0.148 -13.024 997 HB3 HIS 120 2HB HIS 120 11.227 -1.746 -13.421 998 HD1 HIS 120 HD1 HIS 120 9.150 -3.752 -13.241 999 HD2 HIS 120 HD2 HIS 120 8.068 0.221 -14.035 1000 HE1 HIS 120 HE1 HIS 120 6.798 -3.806 -14.221 1001 H HIS 121 H HIS 121 11.802 -2.603 -9.465 1002 HA HIS 121 HA HIS 121 13.750 -2.289 -8.312 1003 HB2 HIS 121 1HB HIS 121 14.378 -2.931 -10.764 1004 HB3 HIS 121 2HB HIS 121 15.026 -1.292 -10.859 1005 HD1 HIS 121 HD1 HIS 121 17.023 -0.713 -9.121 1006 HD2 HIS 121 HD2 HIS 121 15.985 -4.763 -9.443 1007 HE1 HIS 121 HE1 HIS 121 18.951 -2.062 -8.113 1008 H HIS 122 H HIS 122 12.173 -0.068 -7.806 1009 HA HIS 122 HA HIS 122 14.096 2.228 -7.869 1010 HB2 HIS 122 1HB HIS 122 11.334 2.131 -8.217 1011 HB3 HIS 122 2HB HIS 122 11.480 2.556 -6.508 1012 HD1 HIS 122 HD1 HIS 122 10.858 5.035 -6.573 1013 HD2 HIS 122 HD2 HIS 122 13.766 4.025 -9.421 1014 HE1 HIS 122 HE1 HIS 122 11.648 7.212 -7.611 1015 H HIS 123 H HIS 123 15.222 2.693 -5.950 1016 HA HIS 123 HA HIS 123 14.694 0.811 -3.699 1017 HB2 HIS 123 1HB HIS 123 16.942 0.916 -4.879 1018 HB3 HIS 123 2HB HIS 123 17.166 2.504 -4.134 1019 HD1 HIS 123 HD1 HIS 123 16.668 -1.164 -3.123 1020 HD2 HIS 123 HD2 HIS 123 18.049 2.440 -1.547 1021 HE1 HIS 123 HE1 HIS 123 17.708 -1.692 -0.881 1022 H HIS 124 H HIS 124 14.138 4.046 -4.493 1023 HA HIS 124 HA HIS 124 13.314 4.576 -1.741 1024 HB2 HIS 124 1HB HIS 124 14.413 6.801 -1.639 1025 HB3 HIS 124 2HB HIS 124 15.594 5.490 -1.634 1026 HD1 HIS 124 HD1 HIS 124 14.140 8.160 -4.019 1027 HD2 HIS 124 HD2 HIS 124 17.491 5.635 -3.623 1028 HE1 HIS 124 HE1 HIS 124 15.822 8.852 -5.802 1029 H HIS 125 H HIS 125 11.929 6.650 -1.883 1030 HA HIS 125 HA HIS 125 10.216 6.466 -4.213 1031 HB2 HIS 125 1HB HIS 125 10.410 8.269 -1.799 1032 HB3 HIS 125 2HB HIS 125 9.477 8.809 -3.197 1033 HD1 HIS 125 HD1 HIS 125 9.513 5.913 -0.651 1034 HD2 HIS 125 HD2 HIS 125 6.962 7.745 -3.427 1035 HE1 HIS 125 HE1 HIS 125 7.198 4.877 -0.330 Start of MODEL 6 1 H21 MYR 1 1H2 MYR 1 0.956 0.511 -1.097 2 H22 MYR 1 2H2 MYR 1 2.260 0.155 0.027 3 H31 MYR 1 1H3 MYR 1 -0.280 -1.526 -0.407 4 H32 MYR 1 2H3 MYR 1 1.344 -1.942 -0.944 5 H41 MYR 1 1H4 MYR 1 2.060 -1.920 1.544 6 H42 MYR 1 2H4 MYR 1 0.359 -1.733 1.954 7 H51 MYR 1 1H5 MYR 1 -0.063 -3.922 0.587 8 H52 MYR 1 2H5 MYR 1 1.687 -4.110 0.532 9 H61 MYR 1 1H6 MYR 1 1.060 -5.411 2.403 10 H62 MYR 1 2H6 MYR 1 1.670 -3.940 3.126 11 H71 MYR 1 1H7 MYR 1 -1.177 -3.523 2.696 12 H72 MYR 1 2H7 MYR 1 -1.039 -5.160 3.285 13 H81 MYR 1 1H8 MYR 1 0.333 -2.806 4.697 14 H82 MYR 1 2H8 MYR 1 -1.345 -3.190 5.001 15 H91 MYR 1 1H9 MYR 1 0.463 -4.158 6.641 16 H92 MYR 1 2H9 MYR 1 0.876 -5.277 5.362 17 H101 MYR 1 1H10 MYR 1 -0.623 -6.488 6.775 18 H102 MYR 1 2H10 MYR 1 -1.590 -6.069 5.370 19 H111 MYR 1 1H11 MYR 1 -1.592 -4.538 8.046 20 H112 MYR 1 2H11 MYR 1 -2.589 -4.129 6.645 21 H121 MYR 1 1H12 MYR 1 -3.695 -6.389 6.790 22 H122 MYR 1 2H12 MYR 1 -2.743 -6.742 8.239 23 H131 MYR 1 1H13 MYR 1 -3.785 -4.693 9.361 24 H132 MYR 1 2H13 MYR 1 -4.772 -4.446 7.919 25 H141 MYR 1 1H14 MYR 1 -5.795 -6.729 8.261 26 H142 MYR 1 2H14 MYR 1 -4.875 -6.888 9.765 27 H143 MYR 1 3H14 MYR 1 -6.106 -5.627 9.601 28 H GLY 2 H GLY 2 2.063 0.652 2.134 29 HA2 GLY 2 1HA GLY 2 -0.245 1.235 3.651 30 HA3 GLY 2 2HA GLY 2 1.395 1.809 4.008 31 H GLN 3 H GLN 3 1.729 3.273 1.524 32 HA GLN 3 HA GLN 3 0.640 5.763 2.369 33 HB2 GLN 3 1HB GLN 3 1.506 6.641 0.264 34 HB3 GLN 3 2HB GLN 3 2.672 5.586 1.060 35 HG2 GLN 3 1HG GLN 3 2.012 3.744 -0.513 36 HG3 GLN 3 2HG GLN 3 0.981 4.900 -1.365 37 HE21 GLN 3 2HE2 GLN 3 4.306 4.062 -0.508 38 HE22 GLN 3 1HE2 GLN 3 5.038 5.008 -1.788 39 H GLU 4 H GLU 4 -0.624 3.400 -0.046 40 HA GLU 4 HA GLU 4 -2.688 5.333 -0.813 41 HB2 GLU 4 1HB GLU 4 -3.402 3.860 -2.411 42 HB3 GLU 4 2HB GLU 4 -1.664 3.563 -2.356 43 HG2 GLU 4 1HG GLU 4 -1.979 1.467 -1.250 44 HG3 GLU 4 2HG GLU 4 -3.676 1.827 -0.887 45 H LEU 5 H LEU 5 -2.292 2.814 1.571 46 HA LEU 5 HA LEU 5 -5.095 2.290 1.974 47 HB2 LEU 5 1HB LEU 5 -2.718 2.070 3.840 48 HB3 LEU 5 2HB LEU 5 -4.342 1.557 4.265 49 HG LEU 5 HG LEU 5 -2.694 0.402 1.996 50 HD11 LEU 5 1HD1 LEU 5 -3.364 -0.765 4.717 51 HD12 LEU 5 2HD1 LEU 5 -1.780 -0.111 4.229 52 HD13 LEU 5 3HD1 LEU 5 -2.429 -1.550 3.422 53 HD21 LEU 5 3HD2 LEU 5 -5.066 0.166 1.527 54 HD22 LEU 5 1HD2 LEU 5 -5.365 -0.460 3.167 55 HD23 LEU 5 2HD2 LEU 5 -4.401 -1.402 2.004 56 H SER 6 H SER 6 -2.838 4.754 3.240 57 HA SER 6 HA SER 6 -4.720 6.011 5.007 58 HB2 SER 6 1HB SER 6 -3.035 8.003 3.942 59 HB3 SER 6 2HB SER 6 -2.829 7.106 5.459 60 HG SER 6 HG SER 6 -1.746 6.531 2.894 61 H GLN 7 H GLN 7 -4.529 5.947 1.545 62 HA GLN 7 HA GLN 7 -6.095 8.452 1.262 63 HB2 GLN 7 1HB GLN 7 -4.020 7.524 -0.136 64 HB3 GLN 7 2HB GLN 7 -5.294 6.695 -1.035 65 HG2 GLN 7 1HG GLN 7 -6.280 8.762 -1.705 66 HG3 GLN 7 2HG GLN 7 -5.334 9.676 -0.518 67 HE21 GLN 7 2HE2 GLN 7 -4.471 7.218 -2.988 68 HE22 GLN 7 1HE2 GLN 7 -3.238 8.199 -3.745 69 H HIS 8 H HIS 8 -6.489 5.042 1.446 70 HA HIS 8 HA HIS 8 -8.969 4.908 -0.113 71 HB2 HIS 8 1HB HIS 8 -7.036 3.114 0.557 72 HB3 HIS 8 2HB HIS 8 -8.188 2.737 1.810 73 HD1 HIS 8 HD1 HIS 8 -7.526 2.442 -1.876 74 HD2 HIS 8 HD2 HIS 8 -10.618 1.542 0.823 75 HE1 HIS 8 HE1 HIS 8 -9.159 0.915 -3.097 76 H GLU 9 H GLU 9 -10.270 6.525 0.982 77 HA GLU 9 HA GLU 9 -10.413 6.910 3.694 78 HB2 GLU 9 1HB GLU 9 -12.430 8.133 3.352 79 HB3 GLU 9 2HB GLU 9 -11.367 8.369 1.961 80 HG2 GLU 9 1HG GLU 9 -12.702 6.730 0.673 81 HG3 GLU 9 2HG GLU 9 -13.773 6.519 2.069 82 H ARG 10 H ARG 10 -12.217 4.313 2.061 83 HA ARG 10 HA ARG 10 -13.961 3.890 4.366 84 HB2 ARG 10 1HB ARG 10 -13.329 2.152 1.958 85 HB3 ARG 10 2HB ARG 10 -14.496 1.725 3.220 86 HG2 ARG 10 1HG ARG 10 -15.730 3.850 2.737 87 HG3 ARG 10 2HG ARG 10 -14.637 4.133 1.368 88 HD2 ARG 10 1HD ARG 10 -15.356 2.007 0.355 89 HD3 ARG 10 2HD ARG 10 -16.432 1.713 1.737 90 HE ARG 10 HE ARG 10 -17.046 4.261 0.648 91 HH11 ARG 10 1HH1 ARG 10 -17.377 0.857 -0.237 92 HH12 ARG 10 2HH1 ARG 10 -18.775 1.159 -1.235 93 HH21 ARG 10 1HH2 ARG 10 -18.832 4.566 -0.640 94 HH22 ARG 10 2HH2 ARG 10 -19.588 3.215 -1.445 95 H TYR 11 H TYR 11 -10.802 2.744 3.378 96 HA TYR 11 HA TYR 11 -10.684 0.617 5.373 97 HB2 TYR 11 1HB TYR 11 -9.291 0.645 3.292 98 HB3 TYR 11 2HB TYR 11 -8.473 2.095 3.891 99 HD1 TYR 11 HD1 TYR 11 -9.158 -1.474 4.785 100 HD2 TYR 11 HD2 TYR 11 -6.558 1.916 5.258 101 HE1 TYR 11 HE1 TYR 11 -7.526 -2.892 6.001 102 HE2 TYR 11 HE2 TYR 11 -4.920 0.473 6.472 103 HH TYR 11 HH TYR 11 -4.421 -1.604 7.201 104 H VAL 12 H VAL 12 -9.624 3.978 4.955 105 HA VAL 12 HA VAL 12 -8.319 4.348 7.444 106 HB VAL 12 HB VAL 12 -9.877 6.315 5.703 107 HG11 VAL 12 1HG1 VAL 12 -7.967 6.909 7.985 108 HG12 VAL 12 2HG1 VAL 12 -8.622 8.110 6.852 109 HG13 VAL 12 3HG1 VAL 12 -9.706 7.236 7.951 110 HG21 VAL 12 3HG2 VAL 12 -7.905 5.259 4.633 111 HG22 VAL 12 1HG2 VAL 12 -7.678 6.992 4.894 112 HG23 VAL 12 2HG2 VAL 12 -6.894 5.816 5.975 113 H GLU 13 H GLU 13 -11.811 4.470 6.603 114 HA GLU 13 HA GLU 13 -12.718 5.676 8.964 115 HB2 GLU 13 1HB GLU 13 -14.044 5.116 6.921 116 HB3 GLU 13 2HB GLU 13 -14.105 3.436 7.471 117 HG2 GLU 13 1HG GLU 13 -15.350 4.052 9.428 118 HG3 GLU 13 2HG GLU 13 -15.083 5.778 9.111 119 H GLN 14 H GLN 14 -12.241 2.157 8.380 120 HA GLN 14 HA GLN 14 -12.857 1.505 11.144 121 HB2 GLN 14 1HB GLN 14 -11.566 -0.010 8.854 122 HB3 GLN 14 2HB GLN 14 -11.695 -0.694 10.483 123 HG2 GLN 14 1HG GLN 14 -14.021 0.239 8.770 124 HG3 GLN 14 2HG GLN 14 -13.545 -1.445 9.061 125 HE21 GLN 14 2HE2 GLN 14 -13.484 -2.134 11.397 126 HE22 GLN 14 1HE2 GLN 14 -14.696 -1.451 12.471 127 H LEU 15 H LEU 15 -9.878 2.139 9.296 128 HA LEU 15 HA LEU 15 -8.133 1.282 11.376 129 HB2 LEU 15 1HB LEU 15 -7.741 1.820 8.837 130 HB3 LEU 15 2HB LEU 15 -7.360 3.431 9.436 131 HG LEU 15 HG LEU 15 -5.644 2.340 10.954 132 HD11 LEU 15 1HD1 LEU 15 -6.465 0.026 10.972 133 HD12 LEU 15 2HD1 LEU 15 -4.836 0.072 10.275 134 HD13 LEU 15 3HD1 LEU 15 -6.251 -0.088 9.209 135 HD21 LEU 15 3HD2 LEU 15 -4.989 3.472 8.937 136 HD22 LEU 15 1HD2 LEU 15 -5.386 2.056 7.947 137 HD23 LEU 15 2HD2 LEU 15 -4.024 1.995 9.093 138 H LYS 16 H LYS 16 -9.880 4.302 10.930 139 HA LYS 16 HA LYS 16 -8.395 6.001 12.698 140 HB2 LYS 16 1HB LYS 16 -11.360 5.736 12.107 141 HB3 LYS 16 2HB LYS 16 -10.769 6.900 13.276 142 HG2 LYS 16 1HG LYS 16 -9.731 8.231 11.638 143 HG3 LYS 16 2HG LYS 16 -9.762 6.934 10.430 144 HD2 LYS 16 1HD LYS 16 -12.249 7.004 10.429 145 HD3 LYS 16 2HD LYS 16 -12.217 8.340 11.581 146 HE2 LYS 16 1HE LYS 16 -11.276 9.837 9.967 147 HE3 LYS 16 2HE LYS 16 -10.828 8.508 8.890 148 HZ1 LYS 16 3HZ LYS 16 -12.813 9.659 8.098 149 HZ2 LYS 16 1HZ LYS 16 -13.627 9.299 9.485 150 HZ3 LYS 16 2HZ LYS 16 -13.168 8.094 8.456 151 H GLN 17 H GLN 17 -10.922 3.552 13.266 152 HA GLN 17 HA GLN 17 -10.931 4.041 16.132 153 HB2 GLN 17 1HB GLN 17 -12.021 1.678 14.557 154 HB3 GLN 17 2HB GLN 17 -12.394 2.094 16.234 155 HG2 GLN 17 1HG GLN 17 -13.262 4.335 15.289 156 HG3 GLN 17 2HG GLN 17 -13.219 3.543 13.706 157 HE21 GLN 17 2HE2 GLN 17 -14.996 2.403 13.120 158 HE22 GLN 17 1HE2 GLN 17 -16.239 1.881 14.222 159 H ALA 18 H ALA 18 -9.461 1.660 13.906 160 HA ALA 18 HA ALA 18 -8.480 -0.114 15.865 161 HB1 ALA 18 3HB ALA 18 -6.950 -0.902 14.154 162 HB2 ALA 18 1HB ALA 18 -8.532 -0.557 13.420 163 HB3 ALA 18 2HB ALA 18 -7.179 0.586 13.209 164 H LEU 19 H LEU 19 -6.844 2.803 14.477 165 HA LEU 19 HA LEU 19 -4.411 2.444 15.956 166 HB2 LEU 19 1HB LEU 19 -5.752 4.705 14.531 167 HB3 LEU 19 2HB LEU 19 -4.637 5.160 15.809 168 HG LEU 19 HG LEU 19 -2.899 3.669 14.612 169 HD11 LEU 19 1HD1 LEU 19 -3.217 3.686 12.110 170 HD12 LEU 19 2HD1 LEU 19 -4.924 4.096 12.387 171 HD13 LEU 19 3HD1 LEU 19 -4.275 2.551 12.984 172 HD21 LEU 19 3HD2 LEU 19 -2.246 5.556 13.169 173 HD22 LEU 19 1HD2 LEU 19 -2.786 6.118 14.763 174 HD23 LEU 19 2HD2 LEU 19 -3.865 6.266 13.360 175 H LYS 20 H LYS 20 -7.455 4.147 16.747 176 HA LYS 20 HA LYS 20 -6.425 5.299 19.180 177 HB2 LYS 20 1HB LYS 20 -9.241 4.823 18.163 178 HB3 LYS 20 2HB LYS 20 -8.883 5.674 19.672 179 HG2 LYS 20 1HG LYS 20 -7.644 7.390 18.459 180 HG3 LYS 20 2HG LYS 20 -7.902 6.532 16.931 181 HD2 LYS 20 1HD LYS 20 -10.359 6.748 17.244 182 HD3 LYS 20 2HD LYS 20 -10.058 7.700 18.715 183 HE2 LYS 20 1HE LYS 20 -8.799 9.359 17.353 184 HE3 LYS 20 2HE LYS 20 -9.166 8.412 15.895 185 HZ1 LYS 20 3HZ LYS 20 -11.524 8.788 16.318 186 HZ2 LYS 20 1HZ LYS 20 -10.738 10.235 16.199 187 HZ3 LYS 20 2HZ LYS 20 -11.187 9.663 17.676 188 H THR 21 H THR 21 -8.456 2.384 18.589 189 HA THR 21 HA THR 21 -8.821 1.935 21.414 190 HB THR 21 HB THR 21 -10.320 1.059 19.533 191 HG1 THR 21 HG1 THR 21 -9.333 -0.636 21.594 192 HG21 THR 21 1HG2 THR 21 -8.294 -1.213 19.446 193 HG22 THR 21 2HG2 THR 21 -8.452 0.022 18.178 194 HG23 THR 21 3HG2 THR 21 -9.807 -1.069 18.530 195 H ARG 22 H ARG 22 -6.141 1.382 19.348 196 HA ARG 22 HA ARG 22 -5.038 -0.887 20.757 197 HB2 ARG 22 1HB ARG 22 -4.496 -0.054 18.402 198 HB3 ARG 22 2HB ARG 22 -3.578 1.248 19.150 199 HG2 ARG 22 1HG ARG 22 -2.068 -0.476 18.470 200 HG3 ARG 22 2HG ARG 22 -2.122 -0.462 20.232 201 HD2 ARG 22 1HD ARG 22 -4.119 -2.264 19.077 202 HD3 ARG 22 2HD ARG 22 -2.460 -2.670 18.590 203 HE ARG 22 HE ARG 22 -2.542 -2.131 21.399 204 HH11 ARG 22 1HH1 ARG 22 -3.488 -4.645 19.103 205 HH12 ARG 22 2HH1 ARG 22 -3.270 -5.917 20.288 206 HH21 ARG 22 1HH2 ARG 22 -2.310 -3.832 22.841 207 HH22 ARG 22 2HH2 ARG 22 -2.599 -5.475 22.309 208 H GLY 23 H GLY 23 -5.288 2.513 21.397 209 HA2 GLY 23 1HA GLY 23 -4.713 3.643 23.327 210 HA3 GLY 23 2HA GLY 23 -3.979 2.165 23.964 211 H VAL 24 H VAL 24 -2.850 3.005 20.845 212 HA VAL 24 HA VAL 24 -0.320 3.993 22.078 213 HB VAL 24 HB VAL 24 -0.760 2.536 19.430 214 HG11 VAL 24 1HG1 VAL 24 1.724 2.397 19.363 215 HG12 VAL 24 2HG1 VAL 24 1.158 4.075 19.310 216 HG13 VAL 24 3HG1 VAL 24 1.816 3.408 20.824 217 HG21 VAL 24 3HG2 VAL 24 0.423 0.653 20.524 218 HG22 VAL 24 1HG2 VAL 24 0.503 1.574 22.045 219 HG23 VAL 24 2HG2 VAL 24 -1.067 1.054 21.397 220 H LYS 25 H LYS 25 0.223 6.036 21.709 221 HA LYS 25 HA LYS 25 -1.397 7.616 19.842 222 HB2 LYS 25 1HB LYS 25 0.888 8.355 21.707 223 HB3 LYS 25 2HB LYS 25 -0.008 9.510 20.713 224 HG2 LYS 25 1HG LYS 25 -2.097 8.916 21.904 225 HG3 LYS 25 2HG LYS 25 -1.195 7.759 22.898 226 HD2 LYS 25 1HD LYS 25 -1.420 9.715 24.231 227 HD3 LYS 25 2HD LYS 25 0.261 9.705 23.664 228 HE2 LYS 25 1HE LYS 25 -0.327 11.336 21.886 229 HE3 LYS 25 2HE LYS 25 -2.019 11.315 22.423 230 HZ1 LYS 25 3HZ LYS 25 0.280 12.222 24.064 231 HZ2 LYS 25 1HZ LYS 25 -1.297 12.203 24.559 232 HZ3 LYS 25 2HZ LYS 25 -0.827 13.207 23.341 233 H VAL 26 H VAL 26 -0.752 6.632 17.859 234 HA VAL 26 HA VAL 26 1.812 7.810 16.830 235 HB VAL 26 HB VAL 26 1.530 6.011 14.966 236 HG11 VAL 26 1HG1 VAL 26 3.377 5.945 16.572 237 HG12 VAL 26 2HG1 VAL 26 2.338 5.160 17.780 238 HG13 VAL 26 3HG1 VAL 26 2.765 4.301 16.285 239 HG21 VAL 26 3HG2 VAL 26 0.377 3.935 15.555 240 HG22 VAL 26 1HG2 VAL 26 -0.086 4.587 17.143 241 HG23 VAL 26 2HG2 VAL 26 -0.771 5.280 15.654 242 H LYS 27 H LYS 27 1.599 8.911 14.823 243 HA LYS 27 HA LYS 27 -1.203 9.730 14.271 244 HB2 LYS 27 1HB LYS 27 -0.209 11.321 12.656 245 HB3 LYS 27 2HB LYS 27 0.389 11.543 14.300 246 HG2 LYS 27 1HG LYS 27 2.484 10.434 13.727 247 HG3 LYS 27 2HG LYS 27 1.902 10.151 12.075 248 HD2 LYS 27 1HD LYS 27 1.676 12.601 11.743 249 HD3 LYS 27 2HD LYS 27 2.296 12.879 13.378 250 HE2 LYS 27 1HE LYS 27 3.850 11.449 11.185 251 HE3 LYS 27 2HE LYS 27 3.983 13.181 11.520 252 HZ1 LYS 27 3HZ LYS 27 5.738 11.956 12.598 253 HZ2 LYS 27 1HZ LYS 27 4.678 10.988 13.395 254 HZ3 LYS 27 2HZ LYS 27 4.759 12.601 13.761 255 H PHE 28 H PHE 28 -2.014 9.596 12.039 256 HA PHE 28 HA PHE 28 -1.880 6.958 11.044 257 HB2 PHE 28 1HB PHE 28 -3.070 9.529 10.261 258 HB3 PHE 28 2HB PHE 28 -2.577 8.578 8.855 259 HD1 PHE 28 HD2 PHE 28 -4.485 8.237 12.085 260 HD2 PHE 28 HD1 PHE 28 -3.997 6.930 8.014 261 HE1 PHE 28 HE2 PHE 28 -6.524 6.833 12.292 262 HE2 PHE 28 HE1 PHE 28 -6.028 5.524 8.216 263 HZ PHE 28 HZ PHE 28 -7.308 5.485 10.352 264 H ALA 29 H ALA 29 -0.112 9.881 9.997 265 HA ALA 29 HA ALA 29 1.089 8.774 7.708 266 HB1 ALA 29 3HB ALA 29 1.112 11.186 8.258 267 HB2 ALA 29 1HB ALA 29 2.206 10.861 9.628 268 HB3 ALA 29 2HB ALA 29 2.754 10.569 7.965 269 H ASP 30 H ASP 30 2.082 8.517 11.135 270 HA ASP 30 HA ASP 30 4.638 7.299 10.460 271 HB2 ASP 30 1HB ASP 30 3.029 7.429 13.038 272 HB3 ASP 30 2HB ASP 30 4.594 6.616 12.907 273 H LEU 31 H LEU 31 1.429 6.141 11.562 274 HA LEU 31 HA LEU 31 2.290 3.446 11.856 275 HB2 LEU 31 1HB LEU 31 0.242 4.467 12.843 276 HB3 LEU 31 2HB LEU 31 -0.501 4.475 11.253 277 HG LEU 31 HG LEU 31 -1.118 2.661 12.998 278 HD11 LEU 31 1HD1 LEU 31 -1.913 2.737 10.665 279 HD12 LEU 31 2HD1 LEU 31 -1.673 1.084 11.256 280 HD13 LEU 31 3HD1 LEU 31 -0.481 1.815 10.159 281 HD21 LEU 31 3HD2 LEU 31 1.208 1.907 13.461 282 HD22 LEU 31 1HD2 LEU 31 1.306 1.279 11.796 283 HD23 LEU 31 2HD2 LEU 31 0.128 0.599 12.943 284 H LEU 32 H LEU 32 0.532 5.037 9.163 285 HA LEU 32 HA LEU 32 0.612 2.670 7.538 286 HB2 LEU 32 1HB LEU 32 0.087 5.573 6.935 287 HB3 LEU 32 2HB LEU 32 0.267 4.410 5.638 288 HG LEU 32 HG LEU 32 -2.041 4.696 5.970 289 HD11 LEU 32 1HD1 LEU 32 -2.868 2.503 6.440 290 HD12 LEU 32 2HD1 LEU 32 -1.450 2.099 7.436 291 HD13 LEU 32 3HD1 LEU 32 -1.279 2.316 5.679 292 HD21 LEU 32 3HD2 LEU 32 -3.190 4.425 8.058 293 HD22 LEU 32 1HD2 LEU 32 -1.951 5.676 8.192 294 HD23 LEU 32 2HD2 LEU 32 -1.658 4.068 8.892 295 H LYS 33 H LYS 33 3.074 5.059 8.158 296 HA LYS 33 HA LYS 33 4.573 4.617 5.733 297 HB2 LYS 33 1HB LYS 33 5.114 6.448 7.278 298 HB3 LYS 33 2HB LYS 33 5.585 5.283 8.525 299 HG2 LYS 33 1HG LYS 33 7.470 4.554 7.281 300 HG3 LYS 33 2HG LYS 33 6.899 5.375 5.811 301 HD2 LYS 33 1HD LYS 33 7.212 7.565 6.924 302 HD3 LYS 33 2HD LYS 33 7.811 6.733 8.373 303 HE2 LYS 33 1HE LYS 33 9.708 7.510 7.043 304 HE3 LYS 33 2HE LYS 33 9.652 5.737 7.032 305 HZ1 LYS 33 3HZ LYS 33 8.608 5.850 4.837 306 HZ2 LYS 33 1HZ LYS 33 10.068 6.610 4.818 307 HZ3 LYS 33 2HZ LYS 33 8.674 7.497 4.846 308 H PHE 34 H PHE 34 4.298 2.799 8.776 309 HA PHE 34 HA PHE 34 6.402 0.960 7.916 310 HB2 PHE 34 1HB PHE 34 4.590 1.092 10.302 311 HB3 PHE 34 2HB PHE 34 5.574 -0.337 9.959 312 HD1 PHE 34 HD1 PHE 34 5.680 3.260 10.800 313 HD2 PHE 34 HD2 PHE 34 8.008 -0.284 10.157 314 HE1 PHE 34 HE1 PHE 34 7.666 4.434 11.707 315 HE2 PHE 34 HE2 PHE 34 10.018 0.879 11.058 316 HZ PHE 34 HZ PHE 34 9.846 3.252 11.820 317 H PHE 35 H PHE 35 2.943 1.195 7.535 318 HA PHE 35 HA PHE 35 2.586 -1.563 6.628 319 HB2 PHE 35 1HB PHE 35 0.999 0.991 6.280 320 HB3 PHE 35 2HB PHE 35 0.591 -0.468 5.396 321 HD1 PHE 35 HD1 PHE 35 1.669 -0.079 9.019 322 HD2 PHE 35 HD2 PHE 35 -1.404 -1.238 6.240 323 HE1 PHE 35 HE1 PHE 35 0.289 -0.924 10.892 324 HE2 PHE 35 HE2 PHE 35 -2.791 -2.074 8.120 325 HZ PHE 35 HZ PHE 35 -1.949 -1.921 10.448 326 H ASP 36 H ASP 36 4.010 1.346 5.349 327 HA ASP 36 HA ASP 36 3.870 0.461 2.550 328 HB2 ASP 36 1HB ASP 36 4.170 2.902 3.771 329 HB3 ASP 36 2HB ASP 36 5.851 2.513 3.384 330 H PHE 37 H PHE 37 6.123 0.494 5.275 331 HA PHE 37 HA PHE 37 8.464 -0.299 3.891 332 HB2 PHE 37 1HB PHE 37 8.344 0.657 6.189 333 HB3 PHE 37 2HB PHE 37 7.699 -0.881 6.771 334 HD1 PHE 37 HD1 PHE 37 10.649 0.489 4.862 335 HD2 PHE 37 HD2 PHE 37 9.190 -2.476 7.622 336 HE1 PHE 37 HE1 PHE 37 12.974 -0.343 5.190 337 HE2 PHE 37 HE2 PHE 37 11.512 -3.313 7.958 338 HZ PHE 37 HZ PHE 37 13.411 -2.245 6.741 339 H VAL 38 H VAL 38 5.816 -2.310 5.239 340 HA VAL 38 HA VAL 38 7.245 -4.780 4.943 341 HB VAL 38 HB VAL 38 5.341 -5.161 6.218 342 HG11 VAL 38 1HG1 VAL 38 4.247 -3.046 5.932 343 HG12 VAL 38 2HG1 VAL 38 3.739 -3.483 4.282 344 HG13 VAL 38 3HG1 VAL 38 3.073 -4.342 5.682 345 HG21 VAL 38 3HG2 VAL 38 4.183 -5.849 3.468 346 HG22 VAL 38 1HG2 VAL 38 5.402 -6.831 4.313 347 HG23 VAL 38 2HG2 VAL 38 3.793 -6.608 5.025 348 H LYS 39 H LYS 39 5.317 -2.847 2.624 349 HA LYS 39 HA LYS 39 5.353 -4.842 0.557 350 HB2 LYS 39 1HB LYS 39 3.869 -2.836 0.616 351 HB3 LYS 39 2HB LYS 39 5.256 -1.803 0.291 352 HG2 LYS 39 1HG LYS 39 4.743 -4.043 -1.623 353 HG3 LYS 39 2HG LYS 39 3.606 -2.684 -1.636 354 HD2 LYS 39 1HD LYS 39 5.404 -1.097 -2.045 355 HD3 LYS 39 2HD LYS 39 6.621 -2.373 -1.879 356 HE2 LYS 39 1HE LYS 39 5.582 -3.563 -3.819 357 HE3 LYS 39 2HE LYS 39 4.519 -2.154 -4.055 358 HZ1 LYS 39 3HZ LYS 39 6.511 -2.022 -5.435 359 HZ2 LYS 39 1HZ LYS 39 7.489 -2.104 -4.111 360 HZ3 LYS 39 2HZ LYS 39 6.514 -0.794 -4.327 361 H ASP 40 H ASP 40 7.593 -2.258 1.503 362 HA ASP 40 HA ASP 40 9.266 -2.381 -0.790 363 HB2 ASP 40 1HB ASP 40 9.142 -0.603 1.041 364 HB3 ASP 40 2HB ASP 40 10.139 -1.677 2.031 365 H THR 41 H THR 41 9.690 -3.934 2.449 366 HA THR 41 HA THR 41 12.040 -5.382 1.519 367 HB THR 41 HB THR 41 10.460 -6.180 3.967 368 HG1 THR 41 HG1 THR 41 11.898 -3.773 3.528 369 HG21 THR 41 1HG2 THR 41 13.432 -5.813 3.396 370 HG22 THR 41 2HG2 THR 41 12.562 -7.365 3.436 371 HG23 THR 41 3HG2 THR 41 12.730 -6.400 4.918 372 H CYS 42 H CYS 42 8.596 -6.074 1.651 373 HA CYS 42 HA CYS 42 9.166 -8.897 0.827 374 HB2 CYS 42 1HB CYS 42 6.710 -7.867 2.272 375 HB3 CYS 42 2HB CYS 42 7.119 -9.549 1.928 376 HG CYS 42 HG CYS 42 8.732 -7.380 3.801 377 HA PRO 43 HA PRO 43 6.762 -6.863 -2.551 378 HB2 PRO 43 1HB PRO 43 8.017 -8.034 -4.681 379 HB3 PRO 43 2HB PRO 43 8.684 -6.589 -3.852 380 HG2 PRO 43 1HG PRO 43 9.386 -9.488 -3.431 381 HG3 PRO 43 2HG PRO 43 10.479 -8.102 -3.736 382 HD2 PRO 43 1HD PRO 43 10.012 -9.007 -1.236 383 HD3 PRO 43 2HD PRO 43 10.177 -7.245 -1.568 384 H TRP 44 H TRP 44 7.551 -10.127 -1.682 385 HA TRP 44 HA TRP 44 5.527 -11.388 -3.339 386 HB2 TRP 44 1HB TRP 44 6.103 -13.278 -1.578 387 HB3 TRP 44 2HB TRP 44 7.185 -12.875 -2.921 388 HD1 TRP 44 HD1 TRP 44 6.746 -11.865 0.771 389 HE1 TRP 44 HE1 TRP 44 9.032 -11.374 1.830 390 HE3 TRP 44 HE3 TRP 44 9.570 -12.483 -3.419 391 HZ2 TRP 44 HZ2 TRP 44 11.735 -11.223 0.930 392 HZ3 TRP 44 HZ3 TRP 44 12.044 -12.131 -3.274 393 HH2 TRP 44 HH2 TRP 44 13.106 -11.503 -1.102 394 H PHE 45 H PHE 45 5.381 -9.602 -0.384 395 HA PHE 45 HA PHE 45 3.297 -11.181 0.836 396 HB2 PHE 45 1HB PHE 45 4.663 -9.600 2.113 397 HB3 PHE 45 2HB PHE 45 3.950 -8.246 1.235 398 HD1 PHE 45 HD1 PHE 45 3.166 -11.059 3.572 399 HD2 PHE 45 HD2 PHE 45 1.843 -7.334 1.876 400 HE1 PHE 45 HE1 PHE 45 1.326 -10.951 5.251 401 HE2 PHE 45 HE2 PHE 45 -0.009 -7.232 3.535 402 HZ PHE 45 HZ PHE 45 -0.259 -9.038 5.238 403 HA PRO 46 HA PRO 46 0.126 -8.377 -1.124 404 HB2 PRO 46 1HB PRO 46 0.640 -6.963 -3.403 405 HB3 PRO 46 2HB PRO 46 0.877 -6.266 -1.769 406 HG2 PRO 46 1HG PRO 46 2.911 -7.554 -3.566 407 HG3 PRO 46 2HG PRO 46 2.970 -5.950 -2.763 408 HD2 PRO 46 1HD PRO 46 4.182 -8.077 -1.666 409 HD3 PRO 46 2HD PRO 46 3.297 -6.908 -0.634 410 H GLN 47 H GLN 47 2.611 -9.985 -3.024 411 HA GLN 47 HA GLN 47 0.982 -10.825 -5.213 412 HB2 GLN 47 1HB GLN 47 3.530 -10.819 -4.957 413 HB3 GLN 47 2HB GLN 47 3.342 -12.317 -4.041 414 HG2 GLN 47 1HG GLN 47 2.295 -13.381 -6.009 415 HG3 GLN 47 2HG GLN 47 2.475 -11.868 -6.917 416 HE21 GLN 47 2HE2 GLN 47 4.240 -11.691 -8.152 417 HE22 GLN 47 1HE2 GLN 47 5.714 -12.590 -7.916 418 H GLU 48 H GLU 48 1.529 -12.159 -1.945 419 HA GLU 48 HA GLU 48 0.183 -14.673 -2.468 420 HB2 GLU 48 1HB GLU 48 0.647 -13.164 0.131 421 HB3 GLU 48 2HB GLU 48 0.011 -14.803 0.018 422 HG2 GLU 48 1HG GLU 48 2.465 -14.655 -1.490 423 HG3 GLU 48 2HG GLU 48 2.734 -13.945 0.107 424 H GLY 49 H GLY 49 -0.887 -11.425 -1.774 425 HA2 GLY 49 1HA GLY 49 -2.983 -10.514 -1.651 426 HA3 GLY 49 2HA GLY 49 -3.521 -11.926 -2.555 427 H THR 50 H THR 50 -2.197 -12.422 0.655 428 HA THR 50 HA THR 50 -4.987 -12.845 1.672 429 HB THR 50 HB THR 50 -2.636 -14.708 2.154 430 HG1 THR 50 HG1 THR 50 -3.465 -14.621 -0.093 431 HG21 THR 50 1HG2 THR 50 -5.630 -14.965 2.641 432 HG22 THR 50 2HG2 THR 50 -4.357 -14.878 3.881 433 HG23 THR 50 3HG2 THR 50 -4.470 -16.299 2.815 434 H ILE 51 H ILE 51 -5.349 -12.136 3.718 435 HA ILE 51 HA ILE 51 -2.938 -11.231 5.254 436 HB ILE 51 HB ILE 51 -5.825 -10.340 5.515 437 HG12 ILE 51 1HG1 ILE 51 -4.814 -9.473 3.481 438 HG13 ILE 51 2HG1 ILE 51 -5.059 -8.239 4.681 439 HG21 ILE 51 1HG2 ILE 51 -4.821 -8.573 7.054 440 HG22 ILE 51 2HG2 ILE 51 -4.729 -10.215 7.710 441 HG23 ILE 51 3HG2 ILE 51 -3.279 -9.462 7.007 442 HD11 ILE 51 3HD1 ILE 51 -3.014 -7.863 3.512 443 HD12 ILE 51 1HD1 ILE 51 -2.669 -8.225 5.209 444 HD13 ILE 51 2HD1 ILE 51 -2.416 -9.469 3.954 445 H ASP 52 H ASP 52 -2.357 -12.789 6.416 446 HA ASP 52 HA ASP 52 -4.100 -13.633 8.609 447 HB2 ASP 52 1HB ASP 52 -4.551 -15.375 6.875 448 HB3 ASP 52 2HB ASP 52 -2.816 -15.732 6.845 449 H ILE 53 H ILE 53 -2.846 -14.837 10.251 450 HA ILE 53 HA ILE 53 -0.361 -13.513 10.701 451 HB ILE 53 HB ILE 53 -1.960 -14.314 12.442 452 HG12 ILE 53 1HG1 ILE 53 -0.226 -15.159 14.048 453 HG13 ILE 53 2HG1 ILE 53 0.897 -15.281 12.698 454 HG21 ILE 53 1HG2 ILE 53 -1.981 -16.620 13.191 455 HG22 ILE 53 2HG2 ILE 53 -2.471 -16.538 11.483 456 HG23 ILE 53 3HG2 ILE 53 -0.831 -17.079 11.914 457 HD11 ILE 53 3HD1 ILE 53 0.914 -12.891 12.381 458 HD12 ILE 53 1HD1 ILE 53 -0.438 -12.684 13.520 459 HD13 ILE 53 2HD1 ILE 53 1.146 -13.219 14.110 460 H LYS 54 H LYS 54 -1.200 -16.591 9.172 461 HA LYS 54 HA LYS 54 1.440 -17.743 9.241 462 HB2 LYS 54 1HB LYS 54 -0.827 -17.985 7.234 463 HB3 LYS 54 2HB LYS 54 0.672 -18.912 7.120 464 HG2 LYS 54 1HG LYS 54 -0.621 -19.064 9.775 465 HG3 LYS 54 2HG LYS 54 -1.620 -19.704 8.461 466 HD2 LYS 54 1HD LYS 54 1.277 -20.534 8.854 467 HD3 LYS 54 2HD LYS 54 -0.077 -21.359 9.653 468 HE2 LYS 54 1HE LYS 54 -1.106 -21.825 7.435 469 HE3 LYS 54 2HE LYS 54 0.273 -21.042 6.639 470 HZ1 LYS 54 3HZ LYS 54 1.712 -22.732 7.604 471 HZ2 LYS 54 1HZ LYS 54 0.526 -23.446 6.709 472 HZ3 LYS 54 2HZ LYS 54 0.434 -23.457 8.353 473 H ARG 55 H ARG 55 -0.010 -15.262 7.164 474 HA ARG 55 HA ARG 55 2.363 -15.226 5.389 475 HB2 ARG 55 1HB ARG 55 -0.239 -13.671 5.526 476 HB3 ARG 55 2HB ARG 55 1.124 -13.081 4.574 477 HG2 ARG 55 1HG ARG 55 -0.151 -14.216 3.013 478 HG3 ARG 55 2HG ARG 55 1.126 -15.367 3.421 479 HD2 ARG 55 1HD ARG 55 -0.420 -16.604 4.887 480 HD3 ARG 55 2HD ARG 55 -1.679 -15.386 4.600 481 HE ARG 55 HE ARG 55 -2.025 -16.204 2.436 482 HH11 ARG 55 1HH1 ARG 55 0.639 -17.987 3.900 483 HH12 ARG 55 2HH1 ARG 55 0.622 -19.203 2.651 484 HH21 ARG 55 1HH2 ARG 55 -1.985 -17.764 0.893 485 HH22 ARG 55 2HH2 ARG 55 -0.842 -19.076 0.977 486 H TRP 56 H TRP 56 0.830 -13.240 7.927 487 HA TRP 56 HA TRP 56 2.644 -11.072 7.748 488 HB2 TRP 56 1HB TRP 56 0.398 -11.158 8.900 489 HB3 TRP 56 2HB TRP 56 1.194 -11.990 10.245 490 HD1 TRP 56 HD1 TRP 56 1.986 -10.375 12.092 491 HE1 TRP 56 HE1 TRP 56 2.646 -7.926 12.321 492 HE3 TRP 56 HE3 TRP 56 1.552 -9.083 7.166 493 HZ2 TRP 56 HZ2 TRP 56 2.971 -5.690 10.579 494 HZ3 TRP 56 HZ3 TRP 56 2.084 -6.742 6.493 495 HH2 TRP 56 HH2 TRP 56 2.788 -5.059 8.196 496 H ARG 57 H ARG 57 2.956 -14.161 9.471 497 HA ARG 57 HA ARG 57 5.147 -13.422 11.149 498 HB2 ARG 57 1HB ARG 57 4.194 -15.993 9.941 499 HB3 ARG 57 2HB ARG 57 5.745 -15.940 10.794 500 HG2 ARG 57 1HG ARG 57 4.752 -15.363 12.850 501 HG3 ARG 57 2HG ARG 57 3.241 -14.847 12.081 502 HD2 ARG 57 1HD ARG 57 2.723 -17.148 11.453 503 HD3 ARG 57 2HD ARG 57 4.242 -17.713 12.181 504 HE ARG 57 HE ARG 57 1.782 -16.858 13.566 505 HH11 ARG 57 1HH1 ARG 57 5.197 -17.708 13.959 506 HH12 ARG 57 2HH1 ARG 57 5.008 -18.049 15.658 507 HH21 ARG 57 1HH2 ARG 57 1.623 -17.276 15.732 508 HH22 ARG 57 2HH2 ARG 57 3.013 -17.807 16.643 509 H ARG 58 H ARG 58 5.089 -14.655 7.806 510 HA ARG 58 HA ARG 58 7.910 -14.740 7.455 511 HB2 ARG 58 1HB ARG 58 5.627 -14.391 5.502 512 HB3 ARG 58 2HB ARG 58 7.309 -14.566 4.996 513 HG2 ARG 58 1HG ARG 58 7.441 -16.785 5.721 514 HG3 ARG 58 2HG ARG 58 6.071 -16.614 6.836 515 HD2 ARG 58 1HD ARG 58 5.431 -17.939 4.888 516 HD3 ARG 58 2HD ARG 58 4.523 -16.419 4.966 517 HE ARG 58 HE ARG 58 6.854 -16.111 3.317 518 HH11 ARG 58 1HH1 ARG 58 3.631 -17.521 3.264 519 HH12 ARG 58 2HH1 ARG 58 3.469 -17.329 1.527 520 HH21 ARG 58 1HH2 ARG 58 6.581 -15.949 1.075 521 HH22 ARG 58 2HH2 ARG 58 5.078 -16.494 0.343 522 H VAL 59 H VAL 59 5.713 -11.996 7.385 523 HA VAL 59 HA VAL 59 7.470 -10.227 5.933 524 HB VAL 59 HB VAL 59 5.326 -9.628 8.025 525 HG11 VAL 59 1HG1 VAL 59 6.737 -7.767 6.102 526 HG12 VAL 59 2HG1 VAL 59 5.303 -7.359 7.077 527 HG13 VAL 59 3HG1 VAL 59 6.832 -7.749 7.875 528 HG21 VAL 59 3HG2 VAL 59 3.948 -9.063 6.059 529 HG22 VAL 59 1HG2 VAL 59 5.265 -9.616 5.001 530 HG23 VAL 59 2HG2 VAL 59 4.439 -10.764 6.080 531 H GLY 60 H GLY 60 7.023 -11.079 9.373 532 HA2 GLY 60 1HA GLY 60 8.976 -9.142 10.254 533 HA3 GLY 60 2HA GLY 60 8.266 -10.457 11.215 534 H ASP 61 H ASP 61 8.989 -12.582 9.406 535 HA ASP 61 HA ASP 61 11.657 -13.143 10.273 536 HB2 ASP 61 1HB ASP 61 10.079 -14.324 7.948 537 HB3 ASP 61 2HB ASP 61 11.546 -15.019 8.648 538 H CYS 62 H CYS 62 10.283 -11.779 7.278 539 HA CYS 62 HA CYS 62 12.686 -11.665 5.757 540 HB2 CYS 62 1HB CYS 62 10.119 -11.147 5.234 541 HB3 CYS 62 2HB CYS 62 10.617 -9.495 5.577 542 HG CYS 62 HG CYS 62 10.667 -9.489 3.121 543 H PHE 63 H PHE 63 11.194 -9.281 8.005 544 HA PHE 63 HA PHE 63 13.173 -7.243 7.560 545 HB2 PHE 63 1HB PHE 63 11.605 -7.847 10.098 546 HB3 PHE 63 2HB PHE 63 12.505 -6.372 9.785 547 HD1 PHE 63 HD1 PHE 63 11.583 -6.081 6.784 548 HD2 PHE 63 HD2 PHE 63 9.495 -6.801 10.481 549 HE1 PHE 63 HE1 PHE 63 9.544 -5.008 5.840 550 HE2 PHE 63 HE2 PHE 63 7.462 -5.720 9.542 551 HZ PHE 63 HZ PHE 63 7.486 -4.820 7.223 552 H GLN 64 H GLN 64 12.954 -10.062 9.702 553 HA GLN 64 HA GLN 64 15.241 -9.416 11.301 554 HB2 GLN 64 1HB GLN 64 13.395 -11.017 11.861 555 HB3 GLN 64 2HB GLN 64 14.064 -12.138 10.675 556 HG2 GLN 64 1HG GLN 64 16.134 -12.306 11.959 557 HG3 GLN 64 2HG GLN 64 15.527 -11.109 13.118 558 HE21 GLN 64 2HE2 GLN 64 14.136 -14.019 11.546 559 HE22 GLN 64 1HE2 GLN 64 13.604 -14.754 13.040 560 H ASP 65 H ASP 65 14.835 -11.411 8.332 561 HA ASP 65 HA ASP 65 17.519 -12.368 8.261 562 HB2 ASP 65 1HB ASP 65 15.522 -11.767 6.046 563 HB3 ASP 65 2HB ASP 65 17.087 -12.545 5.765 564 H TYR 66 H TYR 66 16.006 -9.463 6.798 565 HA TYR 66 HA TYR 66 18.440 -8.544 5.588 566 HB2 TYR 66 1HB TYR 66 15.822 -7.894 5.413 567 HB3 TYR 66 2HB TYR 66 16.391 -6.544 6.394 568 HD1 TYR 66 HD1 TYR 66 17.288 -8.466 3.278 569 HD2 TYR 66 HD2 TYR 66 17.263 -4.643 5.256 570 HE1 TYR 66 HE1 TYR 66 18.158 -7.387 1.208 571 HE2 TYR 66 HE2 TYR 66 18.120 -3.571 3.164 572 HH TYR 66 HH TYR 66 18.730 -5.428 0.185 573 H PHE 67 H PHE 67 16.961 -7.994 8.778 574 HA PHE 67 HA PHE 67 18.823 -5.983 9.659 575 HB2 PHE 67 1HB PHE 67 16.635 -6.415 10.712 576 HB3 PHE 67 2HB PHE 67 17.187 -8.008 11.229 577 HD1 PHE 67 HD2 PHE 67 18.923 -8.229 13.009 578 HD2 PHE 67 HD1 PHE 67 17.258 -4.420 11.916 579 HE1 PHE 67 HE2 PHE 67 19.790 -7.247 15.128 580 HE2 PHE 67 HE1 PHE 67 18.084 -3.436 14.027 581 HZ PHE 67 HZ PHE 67 19.371 -4.841 15.645 582 H ASN 68 H ASN 68 18.869 -9.604 9.918 583 HA ASN 68 HA ASN 68 21.125 -9.528 11.710 584 HB2 ASN 68 1HB ASN 68 20.861 -11.737 11.841 585 HB3 ASN 68 2HB ASN 68 19.382 -11.494 10.919 586 HD21 ASN 68 2HD2 ASN 68 19.261 -12.288 8.856 587 HD22 ASN 68 1HD2 ASN 68 20.527 -13.246 8.131 588 H THR 69 H THR 69 20.786 -9.538 8.238 589 HA THR 69 HA THR 69 23.462 -10.198 7.564 590 HB THR 69 HB THR 69 21.570 -8.356 6.011 591 HG1 THR 69 HG1 THR 69 20.538 -10.333 6.457 592 HG21 THR 69 1HG2 THR 69 23.884 -8.437 5.113 593 HG22 THR 69 2HG2 THR 69 22.736 -9.268 4.039 594 HG23 THR 69 3HG2 THR 69 23.807 -10.213 5.095 595 H PHE 70 H PHE 70 22.002 -6.952 8.188 596 HA PHE 70 HA PHE 70 24.798 -5.871 8.132 597 HB2 PHE 70 1HB PHE 70 22.394 -5.097 6.643 598 HB3 PHE 70 2HB PHE 70 23.259 -3.749 7.378 599 HD1 PHE 70 HD2 PHE 70 25.694 -3.381 6.858 600 HD2 PHE 70 HD1 PHE 70 23.252 -6.202 4.706 601 HE1 PHE 70 HE2 PHE 70 27.355 -3.391 5.003 602 HE2 PHE 70 HE1 PHE 70 24.911 -6.226 2.842 603 HZ PHE 70 HZ PHE 70 26.968 -4.817 2.987 604 H GLY 71 H GLY 71 22.393 -6.391 10.314 605 HA2 GLY 71 1HA GLY 71 22.275 -5.537 12.469 606 HA3 GLY 71 2HA GLY 71 23.458 -4.299 12.037 607 HA PRO 72 HA PRO 72 19.265 -2.341 12.505 608 HB2 PRO 72 1HB PRO 72 20.000 -0.292 14.150 609 HB3 PRO 72 2HB PRO 72 19.699 -1.950 14.767 610 HG2 PRO 72 1HG PRO 72 22.317 -0.670 14.017 611 HG3 PRO 72 2HG PRO 72 21.862 -1.490 15.547 612 HD2 PRO 72 1HD PRO 72 23.195 -2.803 13.610 613 HD3 PRO 72 2HD PRO 72 21.897 -3.621 14.551 614 H GLU 73 H GLU 73 22.258 -1.472 11.166 615 HA GLU 73 HA GLU 73 21.585 1.215 10.304 616 HB2 GLU 73 1HB GLU 73 23.612 -0.790 9.232 617 HB3 GLU 73 2HB GLU 73 23.553 0.942 8.855 618 HG2 GLU 73 1HG GLU 73 23.922 1.449 11.268 619 HG3 GLU 73 2HG GLU 73 24.063 -0.286 11.593 620 H LYS 74 H LYS 74 20.694 -1.979 9.348 621 HA LYS 74 HA LYS 74 19.917 -1.046 6.631 622 HB2 LYS 74 1HB LYS 74 21.049 -3.380 7.516 623 HB3 LYS 74 2HB LYS 74 19.353 -3.836 7.423 624 HG2 LYS 74 1HG LYS 74 20.405 -4.398 5.351 625 HG3 LYS 74 2HG LYS 74 19.311 -3.032 5.057 626 HD2 LYS 74 1HD LYS 74 21.144 -1.477 4.939 627 HD3 LYS 74 2HD LYS 74 22.273 -2.671 5.595 628 HE2 LYS 74 1HE LYS 74 21.861 -4.090 3.562 629 HE3 LYS 74 2HE LYS 74 20.915 -2.744 2.886 630 HZ1 LYS 74 3HZ LYS 74 23.207 -2.651 2.150 631 HZ2 LYS 74 1HZ LYS 74 23.768 -2.643 3.701 632 HZ3 LYS 74 2HZ LYS 74 22.910 -1.355 3.127 633 H VAL 75 H VAL 75 18.478 -2.446 9.580 634 HA VAL 75 HA VAL 75 15.821 -1.576 8.518 635 HB VAL 75 HB VAL 75 16.429 -4.149 10.063 636 HG11 VAL 75 1HG1 VAL 75 14.265 -3.238 10.766 637 HG12 VAL 75 2HG1 VAL 75 13.766 -3.052 9.068 638 HG13 VAL 75 3HG1 VAL 75 14.017 -4.671 9.756 639 HG21 VAL 75 3HG2 VAL 75 17.054 -4.416 7.751 640 HG22 VAL 75 1HG2 VAL 75 15.535 -5.284 8.033 641 HG23 VAL 75 2HG2 VAL 75 15.516 -3.707 7.206 642 HA PRO 76 HA PRO 76 16.203 0.393 12.460 643 HB2 PRO 76 1HB PRO 76 13.688 1.413 12.810 644 HB3 PRO 76 2HB PRO 76 14.865 2.125 11.692 645 HG2 PRO 76 1HG PRO 76 12.623 0.253 11.093 646 HG3 PRO 76 2HG PRO 76 13.064 1.776 10.266 647 HD2 PRO 76 1HD PRO 76 13.793 -0.644 9.298 648 HD3 PRO 76 2HD PRO 76 14.869 0.790 9.161 649 H VAL 77 H VAL 77 15.861 -0.267 14.581 650 HA VAL 77 HA VAL 77 14.689 -2.827 14.998 651 HB VAL 77 HB VAL 77 15.009 -2.365 17.427 652 HG11 VAL 77 1HG1 VAL 77 16.888 -3.181 16.042 653 HG12 VAL 77 2HG1 VAL 77 17.365 -1.504 15.688 654 HG13 VAL 77 3HG1 VAL 77 17.455 -2.130 17.350 655 HG21 VAL 77 3HG2 VAL 77 15.915 0.413 16.516 656 HG22 VAL 77 1HG2 VAL 77 14.437 0.057 17.446 657 HG23 VAL 77 2HG2 VAL 77 16.029 -0.240 18.162 658 H THR 78 H THR 78 13.241 0.343 14.961 659 HA THR 78 HA THR 78 10.968 -0.422 16.581 660 HB THR 78 HB THR 78 11.757 1.969 16.145 661 HG1 THR 78 HG1 THR 78 9.635 2.701 16.360 662 HG21 THR 78 1HG2 THR 78 11.784 1.766 13.644 663 HG22 THR 78 2HG2 THR 78 10.893 3.158 14.278 664 HG23 THR 78 3HG2 THR 78 10.011 1.728 13.710 665 H ALA 79 H ALA 79 11.869 -0.995 13.239 666 HA ALA 79 HA ALA 79 9.231 -1.213 12.160 667 HB1 ALA 79 3HB ALA 79 11.766 -2.763 11.507 668 HB2 ALA 79 1HB ALA 79 10.281 -2.779 10.526 669 HB3 ALA 79 2HB ALA 79 11.195 -1.268 10.728 670 H PHE 80 H PHE 80 11.200 -3.469 14.094 671 HA PHE 80 HA PHE 80 9.371 -5.681 13.839 672 HB2 PHE 80 1HB PHE 80 11.424 -5.051 15.988 673 HB3 PHE 80 2HB PHE 80 10.637 -6.612 15.737 674 HD1 PHE 80 HD1 PHE 80 11.156 -7.982 13.746 675 HD2 PHE 80 HD2 PHE 80 13.232 -4.307 14.558 676 HE1 PHE 80 HE1 PHE 80 12.914 -8.623 12.127 677 HE2 PHE 80 HE2 PHE 80 14.994 -4.928 12.924 678 HZ PHE 80 HZ PHE 80 14.827 -7.091 11.693 679 H SER 81 H SER 81 9.561 -2.881 15.957 680 HA SER 81 HA SER 81 7.743 -3.937 17.975 681 HB2 SER 81 1HB SER 81 9.364 -2.111 18.464 682 HB3 SER 81 2HB SER 81 8.515 -1.057 17.315 683 HG SER 81 HG SER 81 7.402 -2.215 19.663 684 H TYR 82 H TYR 82 7.522 -1.734 15.174 685 HA TYR 82 HA TYR 82 4.710 -1.253 15.313 686 HB2 TYR 82 1HB TYR 82 6.856 -1.105 13.223 687 HB3 TYR 82 2HB TYR 82 5.178 -1.147 12.664 688 HD1 TYR 82 HD2 TYR 82 3.593 0.623 13.221 689 HD2 TYR 82 HD1 TYR 82 7.722 0.899 14.439 690 HE1 TYR 82 HE2 TYR 82 3.315 3.075 13.681 691 HE2 TYR 82 HE1 TYR 82 7.423 3.327 14.885 692 HH TYR 82 HH TYR 82 5.998 5.110 14.845 693 H TRP 83 H TRP 83 6.662 -3.754 13.655 694 HA TRP 83 HA TRP 83 4.537 -5.047 12.340 695 HB2 TRP 83 1HB TRP 83 6.898 -5.472 11.864 696 HB3 TRP 83 2HB TRP 83 7.143 -6.103 13.488 697 HD1 TRP 83 HD1 TRP 83 5.439 -7.109 10.189 698 HE1 TRP 83 HE1 TRP 83 5.047 -9.627 10.157 699 HE3 TRP 83 HE3 TRP 83 6.976 -8.110 14.957 700 HZ2 TRP 83 HZ2 TRP 83 5.339 -11.782 11.983 701 HZ3 TRP 83 HZ3 TRP 83 6.921 -10.478 15.761 702 HH2 TRP 83 HH2 TRP 83 6.099 -12.299 14.270 703 H ASN 84 H ASN 84 5.808 -5.530 15.647 704 HA ASN 84 HA ASN 84 4.257 -7.857 16.237 705 HB2 ASN 84 1HB ASN 84 5.845 -5.866 17.770 706 HB3 ASN 84 2HB ASN 84 4.589 -6.723 18.676 707 HD21 ASN 84 2HD2 ASN 84 7.706 -6.917 17.285 708 HD22 ASN 84 1HD2 ASN 84 8.012 -8.590 17.709 709 H LEU 85 H LEU 85 3.448 -4.427 16.270 710 HA LEU 85 HA LEU 85 1.169 -4.612 18.001 711 HB2 LEU 85 1HB LEU 85 2.404 -2.550 17.319 712 HB3 LEU 85 2HB LEU 85 1.733 -2.693 15.708 713 HG LEU 85 HG LEU 85 -0.100 -2.388 18.070 714 HD11 LEU 85 1HD1 LEU 85 0.084 0.079 17.764 715 HD12 LEU 85 2HD1 LEU 85 1.413 -0.181 16.610 716 HD13 LEU 85 3HD1 LEU 85 1.607 -0.646 18.316 717 HD21 LEU 85 3HD2 LEU 85 -1.181 -2.839 15.918 718 HD22 LEU 85 1HD2 LEU 85 -0.233 -1.558 15.130 719 HD23 LEU 85 2HD2 LEU 85 -1.455 -1.146 16.351 720 H ILE 86 H ILE 86 1.562 -4.910 14.446 721 HA ILE 86 HA ILE 86 -1.305 -5.307 14.085 722 HB ILE 86 HB ILE 86 0.933 -5.823 12.094 723 HG12 ILE 86 1HG1 ILE 86 -0.552 -3.459 11.514 724 HG13 ILE 86 2HG1 ILE 86 -0.072 -3.351 13.205 725 HG21 ILE 86 1HG2 ILE 86 -1.169 -6.889 11.429 726 HG22 ILE 86 2HG2 ILE 86 -2.081 -5.402 11.760 727 HG23 ILE 86 3HG2 ILE 86 -0.905 -5.462 10.414 728 HD11 ILE 86 3HD1 ILE 86 1.683 -2.356 12.012 729 HD12 ILE 86 1HD1 ILE 86 2.275 -3.983 12.404 730 HD13 ILE 86 2HD1 ILE 86 1.675 -3.629 10.766 731 H LYS 87 H LYS 87 1.558 -7.299 14.527 732 HA LYS 87 HA LYS 87 0.663 -9.788 13.597 733 HB2 LYS 87 1HB LYS 87 2.922 -9.532 14.312 734 HB3 LYS 87 2HB LYS 87 2.416 -8.865 15.845 735 HG2 LYS 87 1HG LYS 87 1.466 -11.220 16.356 736 HG3 LYS 87 2HG LYS 87 2.544 -11.730 15.042 737 HD2 LYS 87 1HD LYS 87 4.451 -10.827 16.184 738 HD3 LYS 87 2HD LYS 87 3.423 -9.966 17.339 739 HE2 LYS 87 1HE LYS 87 2.633 -12.137 18.232 740 HE3 LYS 87 2HE LYS 87 3.786 -12.969 17.153 741 HZ1 LYS 87 3HZ LYS 87 4.650 -12.491 19.443 742 HZ2 LYS 87 1HZ LYS 87 4.589 -10.874 19.096 743 HZ3 LYS 87 2HZ LYS 87 5.587 -11.857 18.240 744 H GLU 88 H GLU 88 0.191 -8.414 16.921 745 HA GLU 88 HA GLU 88 -1.338 -10.737 17.699 746 HB2 GLU 88 1HB GLU 88 -1.949 -9.430 19.688 747 HB3 GLU 88 2HB GLU 88 -0.211 -9.433 19.380 748 HG2 GLU 88 1HG GLU 88 -0.284 -7.184 18.525 749 HG3 GLU 88 2HG GLU 88 -2.051 -7.157 18.618 750 H LEU 89 H LEU 89 -2.209 -7.695 16.129 751 HA LEU 89 HA LEU 89 -5.021 -7.899 16.676 752 HB2 LEU 89 1HB LEU 89 -3.434 -6.478 14.536 753 HB3 LEU 89 2HB LEU 89 -5.186 -6.424 14.601 754 HG LEU 89 HG LEU 89 -3.394 -5.479 16.860 755 HD11 LEU 89 1HD1 LEU 89 -3.919 -3.205 16.081 756 HD12 LEU 89 2HD1 LEU 89 -4.808 -3.873 14.693 757 HD13 LEU 89 3HD1 LEU 89 -3.052 -4.122 14.836 758 HD21 LEU 89 3HD2 LEU 89 -5.483 -4.293 17.596 759 HD22 LEU 89 1HD2 LEU 89 -5.633 -6.059 17.647 760 HD23 LEU 89 2HD2 LEU 89 -6.379 -5.144 16.319 761 H ILE 90 H ILE 90 -2.972 -9.096 13.987 762 HA ILE 90 HA ILE 90 -5.269 -10.190 12.554 763 HB ILE 90 HB ILE 90 -2.292 -10.888 12.310 764 HG12 ILE 90 1HG1 ILE 90 -4.001 -9.107 10.527 765 HG13 ILE 90 2HG1 ILE 90 -2.948 -8.481 11.796 766 HG21 ILE 90 1HG2 ILE 90 -3.786 -12.674 11.396 767 HG22 ILE 90 2HG2 ILE 90 -4.633 -11.457 10.405 768 HG23 ILE 90 3HG2 ILE 90 -2.924 -11.837 10.101 769 HD11 ILE 90 3HD1 ILE 90 -2.063 -10.032 9.329 770 HD12 ILE 90 1HD1 ILE 90 -1.788 -8.313 9.669 771 HD13 ILE 90 2HD1 ILE 90 -0.990 -9.553 10.662 772 H ASP 91 H ASP 91 -2.821 -11.450 14.846 773 HA ASP 91 HA ASP 91 -3.511 -14.205 14.663 774 HB2 ASP 91 1HB ASP 91 -1.507 -13.183 15.826 775 HB3 ASP 91 2HB ASP 91 -2.576 -12.710 17.149 776 H LYS 92 H LYS 92 -4.908 -11.516 16.508 777 HA LYS 92 HA LYS 92 -7.044 -13.385 17.440 778 HB2 LYS 92 1HB LYS 92 -6.086 -10.783 18.670 779 HB3 LYS 92 2HB LYS 92 -7.409 -11.779 19.276 780 HG2 LYS 92 1HG LYS 92 -4.498 -12.628 19.101 781 HG3 LYS 92 2HG LYS 92 -5.373 -12.170 20.576 782 HD2 LYS 92 1HD LYS 92 -6.938 -14.074 20.240 783 HD3 LYS 92 2HD LYS 92 -6.068 -14.519 18.764 784 HE2 LYS 92 1HE LYS 92 -3.984 -14.679 20.231 785 HE3 LYS 92 2HE LYS 92 -5.144 -14.748 21.596 786 HZ1 LYS 92 3HZ LYS 92 -6.308 -16.515 20.287 787 HZ2 LYS 92 1HZ LYS 92 -4.782 -16.962 20.756 788 HZ3 LYS 92 2HZ LYS 92 -5.073 -16.502 19.201 789 H LYS 93 H LYS 93 -7.101 -12.274 14.823 790 HA LYS 93 HA LYS 93 -8.852 -10.026 14.658 791 HB2 LYS 93 1HB LYS 93 -9.382 -10.761 12.425 792 HB3 LYS 93 2HB LYS 93 -7.660 -11.021 12.715 793 HG2 LYS 93 1HG LYS 93 -8.092 -13.452 13.075 794 HG3 LYS 93 2HG LYS 93 -9.818 -13.171 12.804 795 HD2 LYS 93 1HD LYS 93 -9.248 -13.843 10.694 796 HD3 LYS 93 2HD LYS 93 -8.963 -12.105 10.523 797 HE2 LYS 93 1HE LYS 93 -7.093 -13.249 9.537 798 HE3 LYS 93 2HE LYS 93 -6.526 -12.527 11.056 799 HZ1 LYS 93 3HZ LYS 93 -5.844 -14.911 10.605 800 HZ2 LYS 93 1HZ LYS 93 -7.408 -15.346 10.884 801 HZ3 LYS 93 2HZ LYS 93 -6.529 -14.638 12.087 802 H GLU 94 H GLU 94 -9.378 -13.314 15.578 803 HA GLU 94 HA GLU 94 -12.157 -13.616 15.193 804 HB2 GLU 94 1HB GLU 94 -11.887 -15.366 16.990 805 HB3 GLU 94 2HB GLU 94 -10.749 -15.487 15.644 806 HG2 GLU 94 1HG GLU 94 -9.005 -14.335 17.045 807 HG3 GLU 94 2HG GLU 94 -10.124 -14.356 18.407 808 H VAL 95 H VAL 95 -10.427 -11.902 17.786 809 HA VAL 95 HA VAL 95 -13.098 -11.327 19.022 810 HB VAL 95 HB VAL 95 -11.881 -10.979 21.182 811 HG11 VAL 95 1HG1 VAL 95 -13.041 -13.111 20.663 812 HG12 VAL 95 2HG1 VAL 95 -11.528 -13.767 20.002 813 HG13 VAL 95 3HG1 VAL 95 -11.637 -13.349 21.725 814 HG21 VAL 95 3HG2 VAL 95 -9.521 -12.311 19.781 815 HG22 VAL 95 1HG2 VAL 95 -9.606 -10.580 20.198 816 HG23 VAL 95 2HG2 VAL 95 -9.611 -11.804 21.480 817 H ASN 96 H ASN 96 -11.112 -10.070 16.933 818 HA ASN 96 HA ASN 96 -11.438 -7.293 18.035 819 HB2 ASN 96 1HB ASN 96 -9.161 -8.511 16.447 820 HB3 ASN 96 2HB ASN 96 -9.507 -6.776 16.379 821 HD21 ASN 96 2HD2 ASN 96 -8.231 -9.356 18.289 822 HD22 ASN 96 1HD2 ASN 96 -7.648 -8.337 19.593 823 HA PRO 97 HA PRO 97 -13.819 -8.117 14.180 824 HB2 PRO 97 1HB PRO 97 -16.071 -6.672 14.762 825 HB3 PRO 97 2HB PRO 97 -15.816 -8.354 15.330 826 HG2 PRO 97 1HG PRO 97 -15.289 -5.776 16.801 827 HG3 PRO 97 2HG PRO 97 -16.227 -7.208 17.337 828 HD2 PRO 97 1HD PRO 97 -13.671 -6.883 18.089 829 HD3 PRO 97 2HD PRO 97 -14.290 -8.508 17.637 830 H GLN 98 H GLN 98 -12.902 -5.222 15.884 831 HA GLN 98 HA GLN 98 -13.602 -3.288 13.911 832 HB2 GLN 98 1HB GLN 98 -12.782 -3.041 16.395 833 HB3 GLN 98 2HB GLN 98 -11.161 -3.096 15.699 834 HG2 GLN 98 1HG GLN 98 -11.629 -0.824 15.883 835 HG3 GLN 98 2HG GLN 98 -11.958 -1.167 14.177 836 HE21 GLN 98 2HE2 GLN 98 -13.295 -0.240 17.247 837 HE22 GLN 98 1HE2 GLN 98 -14.909 0.094 16.666 838 H VAL 99 H VAL 99 -10.698 -5.289 14.497 839 HA VAL 99 HA VAL 99 -9.421 -4.152 12.133 840 HB VAL 99 HB VAL 99 -8.241 -4.904 14.367 841 HG11 VAL 99 1HG1 VAL 99 -9.062 -7.293 14.155 842 HG12 VAL 99 2HG1 VAL 99 -7.972 -7.482 12.767 843 HG13 VAL 99 3HG1 VAL 99 -7.319 -7.117 14.378 844 HG21 VAL 99 3HG2 VAL 99 -6.142 -5.180 13.113 845 HG22 VAL 99 1HG2 VAL 99 -7.062 -5.470 11.621 846 HG23 VAL 99 2HG2 VAL 99 -7.135 -3.883 12.426 847 H MET 100 H MET 100 -11.354 -6.972 12.940 848 HA MET 100 HA MET 100 -10.528 -8.683 10.833 849 HB2 MET 100 1HB MET 100 -11.986 -9.427 12.629 850 HB3 MET 100 2HB MET 100 -13.246 -8.301 12.128 851 HG2 MET 100 1HG MET 100 -13.719 -10.631 11.472 852 HG3 MET 100 2HG MET 100 -13.650 -9.513 10.101 853 HE1 MET 100 3HE MET 100 -13.386 -11.616 8.310 854 HE2 MET 100 1HE MET 100 -12.655 -10.011 8.049 855 HE3 MET 100 2HE MET 100 -11.721 -11.489 7.690 856 H ALA 101 H ALA 101 -12.882 -5.961 10.831 857 HA ALA 101 HA ALA 101 -13.733 -6.411 8.138 858 HB1 ALA 101 3HB ALA 101 -14.483 -4.043 8.234 859 HB2 ALA 101 1HB ALA 101 -14.928 -4.920 9.715 860 HB3 ALA 101 2HB ALA 101 -13.543 -3.802 9.726 861 H ALA 102 H ALA 102 -10.855 -4.871 9.493 862 HA ALA 102 HA ALA 102 -10.053 -3.606 7.006 863 HB1 ALA 102 3HB ALA 102 -7.975 -3.100 8.208 864 HB2 ALA 102 1HB ALA 102 -9.372 -2.736 9.252 865 HB3 ALA 102 2HB ALA 102 -8.417 -4.216 9.513 866 H VAL 103 H VAL 103 -9.534 -6.742 8.600 867 HA VAL 103 HA VAL 103 -7.323 -7.659 7.026 868 HB VAL 103 HB VAL 103 -9.675 -9.202 8.261 869 HG11 VAL 103 1HG1 VAL 103 -8.646 -10.524 6.429 870 HG12 VAL 103 2HG1 VAL 103 -7.078 -10.375 7.241 871 HG13 VAL 103 3HG1 VAL 103 -8.401 -11.248 8.024 872 HG21 VAL 103 3HG2 VAL 103 -8.183 -8.009 9.874 873 HG22 VAL 103 1HG2 VAL 103 -8.133 -9.766 10.058 874 HG23 VAL 103 2HG2 VAL 103 -6.805 -8.923 9.234 875 H ALA 104 H ALA 104 -10.871 -7.949 6.544 876 HA ALA 104 HA ALA 104 -10.629 -9.261 4.010 877 HB1 ALA 104 3HB ALA 104 -12.680 -9.355 5.365 878 HB2 ALA 104 1HB ALA 104 -12.925 -7.604 5.157 879 HB3 ALA 104 2HB ALA 104 -13.031 -8.697 3.753 880 H GLN 105 H GLN 105 -11.031 -5.799 4.892 881 HA GLN 105 HA GLN 105 -11.301 -4.881 2.202 882 HB2 GLN 105 1HB GLN 105 -10.442 -3.587 4.800 883 HB3 GLN 105 2HB GLN 105 -10.271 -2.723 3.258 884 HG2 GLN 105 1HG GLN 105 -12.745 -3.231 2.856 885 HG3 GLN 105 2HG GLN 105 -12.823 -3.687 4.562 886 HE21 GLN 105 2HE2 GLN 105 -13.260 -2.090 5.978 887 HE22 GLN 105 1HE2 GLN 105 -13.107 -0.376 5.642 888 H THR 106 H THR 106 -8.391 -5.462 4.224 889 HA THR 106 HA THR 106 -6.599 -4.201 2.375 890 HB THR 106 HB THR 106 -5.905 -6.474 4.280 891 HG1 THR 106 HG1 THR 106 -6.872 -4.831 5.451 892 HG21 THR 106 1HG2 THR 106 -4.116 -5.908 2.680 893 HG22 THR 106 2HG2 THR 106 -3.693 -5.357 4.316 894 HG23 THR 106 3HG2 THR 106 -4.270 -4.187 3.108 895 H GLU 107 H GLU 107 -7.703 -7.619 2.740 896 HA GLU 107 HA GLU 107 -6.009 -8.690 0.744 897 HB2 GLU 107 1HB GLU 107 -8.801 -9.471 1.625 898 HB3 GLU 107 2HB GLU 107 -7.900 -10.365 0.388 899 HG2 GLU 107 1HG GLU 107 -6.051 -10.657 2.018 900 HG3 GLU 107 2HG GLU 107 -7.077 -9.932 3.263 901 H GLU 108 H GLU 108 -9.260 -7.179 0.352 902 HA GLU 108 HA GLU 108 -9.428 -7.701 -2.453 903 HB2 GLU 108 1HB GLU 108 -10.603 -5.498 -0.725 904 HB3 GLU 108 2HB GLU 108 -11.018 -5.724 -2.428 905 HG2 GLU 108 1HG GLU 108 -11.368 -7.931 -0.378 906 HG3 GLU 108 2HG GLU 108 -12.604 -6.699 -0.675 907 H ILE 109 H ILE 109 -7.991 -5.010 -0.624 908 HA ILE 109 HA ILE 109 -7.367 -3.405 -2.945 909 HB ILE 109 HB ILE 109 -6.194 -3.449 -0.119 910 HG12 ILE 109 1HG1 ILE 109 -8.022 -1.375 -1.379 911 HG13 ILE 109 2HG1 ILE 109 -8.669 -2.809 -0.590 912 HG21 ILE 109 1HG2 ILE 109 -5.754 -1.409 -2.366 913 HG22 ILE 109 2HG2 ILE 109 -5.260 -1.175 -0.676 914 HG23 ILE 109 3HG2 ILE 109 -4.517 -2.459 -1.639 915 HD11 ILE 109 3HD1 ILE 109 -8.752 -1.082 1.029 916 HD12 ILE 109 1HD1 ILE 109 -7.397 -2.125 1.504 917 HD13 ILE 109 2HD1 ILE 109 -7.085 -0.570 0.690 918 H LEU 110 H LEU 110 -5.658 -6.004 -1.160 919 HA LEU 110 HA LEU 110 -3.199 -5.735 -2.631 920 HB2 LEU 110 1HB LEU 110 -4.418 -8.218 -1.373 921 HB3 LEU 110 2HB LEU 110 -2.798 -8.109 -2.032 922 HG LEU 110 HG LEU 110 -3.835 -6.784 0.470 923 HD11 LEU 110 1HD1 LEU 110 -1.716 -8.868 -0.106 924 HD12 LEU 110 2HD1 LEU 110 -3.275 -9.118 0.710 925 HD13 LEU 110 3HD1 LEU 110 -2.013 -8.145 1.487 926 HD21 LEU 110 3HD2 LEU 110 -2.410 -5.133 -0.522 927 HD22 LEU 110 1HD2 LEU 110 -1.195 -6.362 -0.939 928 HD23 LEU 110 2HD2 LEU 110 -1.496 -5.947 0.761 929 H LYS 111 H LYS 111 -6.203 -7.622 -3.299 930 HA LYS 111 HA LYS 111 -5.168 -9.041 -5.549 931 HB2 LYS 111 1HB LYS 111 -7.989 -7.923 -5.257 932 HB3 LYS 111 2HB LYS 111 -7.492 -9.207 -6.354 933 HG2 LYS 111 1HG LYS 111 -7.439 -9.383 -3.347 934 HG3 LYS 111 2HG LYS 111 -8.727 -10.000 -4.356 935 HD2 LYS 111 1HD LYS 111 -7.361 -11.711 -5.233 936 HD3 LYS 111 2HD LYS 111 -5.862 -10.921 -4.694 937 HE2 LYS 111 1HE LYS 111 -6.472 -12.848 -3.251 938 HE3 LYS 111 2HE LYS 111 -6.386 -11.308 -2.379 939 HZ1 LYS 111 3HZ LYS 111 -8.313 -12.533 -1.695 940 HZ2 LYS 111 1HZ LYS 111 -8.888 -12.635 -3.241 941 HZ3 LYS 111 2HZ LYS 111 -8.803 -11.173 -2.482 942 H SER 112 H SER 112 -6.675 -5.821 -5.308 943 HA SER 112 HA SER 112 -6.694 -5.286 -8.112 944 HB2 SER 112 1HB SER 112 -8.023 -4.076 -6.379 945 HB3 SER 112 2HB SER 112 -6.522 -3.319 -5.798 946 HG SER 112 HG SER 112 -6.284 -2.574 -8.054 947 H ASN 113 H ASN 113 -4.159 -4.969 -5.683 948 HA ASN 113 HA ASN 113 -2.446 -3.560 -7.695 949 HB2 ASN 113 1HB ASN 113 -2.386 -3.566 -4.662 950 HB3 ASN 113 2HB ASN 113 -1.153 -2.813 -5.684 951 HD21 ASN 113 2HD2 ASN 113 -3.582 -2.027 -3.799 952 HD22 ASN 113 1HD2 ASN 113 -4.165 -0.602 -4.619 953 H SER 114 H SER 114 -2.862 -6.409 -7.688 954 HA SER 114 HA SER 114 -0.104 -7.345 -6.960 955 HB2 SER 114 1HB SER 114 -1.019 -9.607 -6.846 956 HB3 SER 114 2HB SER 114 -1.909 -8.558 -5.735 957 HG SER 114 HG SER 114 -3.568 -8.402 -7.292 958 H GLN 115 H GLN 115 0.246 -9.432 -8.545 959 HA GLN 115 HA GLN 115 0.817 -10.112 -10.592 960 HB2 GLN 115 1HB GLN 115 -1.843 -8.894 -11.358 961 HB3 GLN 115 2HB GLN 115 -0.954 -10.141 -12.208 962 HG2 GLN 115 1HG GLN 115 -1.362 -11.767 -10.522 963 HG3 GLN 115 2HG GLN 115 -1.951 -10.537 -9.396 964 HE21 GLN 115 2HE2 GLN 115 -4.013 -9.779 -9.507 965 HE22 GLN 115 1HE2 GLN 115 -5.215 -10.472 -10.573 966 H THR 116 H THR 116 1.427 -7.223 -9.828 967 HA THR 116 HA THR 116 1.537 -5.915 -12.460 968 HB THR 116 HB THR 116 2.878 -4.646 -10.146 969 HG1 THR 116 HG1 THR 116 0.107 -5.326 -10.167 970 HG21 THR 116 1HG2 THR 116 0.671 -3.837 -12.046 971 HG22 THR 116 2HG2 THR 116 2.410 -3.565 -12.299 972 HG23 THR 116 3HG2 THR 116 1.571 -2.758 -10.951 973 H ASP 117 H ASP 117 2.969 -8.301 -12.002 974 HA ASP 117 HA ASP 117 5.798 -7.741 -11.591 975 HB2 ASP 117 1HB ASP 117 4.338 -10.220 -12.601 976 HB3 ASP 117 2HB ASP 117 6.035 -10.166 -12.082 977 H LEU 118 H LEU 118 4.855 -6.112 -13.640 978 HA LEU 118 HA LEU 118 6.040 -7.354 -16.102 979 HB2 LEU 118 1HB LEU 118 3.769 -5.372 -16.005 980 HB3 LEU 118 2HB LEU 118 4.383 -6.185 -17.424 981 HG LEU 118 HG LEU 118 2.928 -7.584 -15.147 982 HD11 LEU 118 1HD1 LEU 118 1.478 -5.956 -16.284 983 HD12 LEU 118 2HD1 LEU 118 0.993 -7.624 -16.640 984 HD13 LEU 118 3HD1 LEU 118 1.887 -6.686 -17.859 985 HD21 LEU 118 3HD2 LEU 118 4.376 -9.100 -16.421 986 HD22 LEU 118 1HD2 LEU 118 3.666 -8.529 -17.949 987 HD23 LEU 118 2HD2 LEU 118 2.671 -9.427 -16.777 988 H GLU 119 H GLU 119 7.525 -6.144 -17.132 989 HA GLU 119 HA GLU 119 7.568 -3.211 -16.627 990 HB2 GLU 119 1HB GLU 119 9.364 -4.415 -15.260 991 HB3 GLU 119 2HB GLU 119 10.095 -4.877 -16.810 992 HG2 GLU 119 1HG GLU 119 10.132 -2.382 -17.385 993 HG3 GLU 119 2HG GLU 119 9.681 -2.071 -15.705 994 H HIS 120 H HIS 120 7.995 -2.007 -18.458 995 HA HIS 120 HA HIS 120 8.615 -3.546 -20.955 996 HB2 HIS 120 1HB HIS 120 6.539 -1.344 -20.677 997 HB3 HIS 120 2HB HIS 120 6.950 -2.219 -22.157 998 HD1 HIS 120 HD1 HIS 120 4.123 -2.118 -20.307 999 HD2 HIS 120 HD2 HIS 120 6.787 -5.302 -20.923 1000 HE1 HIS 120 HE1 HIS 120 2.833 -4.269 -19.845 1001 H HIS 121 H HIS 121 10.529 -2.133 -19.395 1002 HA HIS 121 HA HIS 121 10.921 0.559 -20.326 1003 HB2 HIS 121 1HB HIS 121 12.311 -1.386 -18.674 1004 HB3 HIS 121 2HB HIS 121 13.449 -0.548 -19.711 1005 HD1 HIS 121 HD1 HIS 121 13.928 1.995 -19.230 1006 HD2 HIS 121 HD2 HIS 121 11.027 0.247 -16.728 1007 HE1 HIS 121 HE1 HIS 121 13.453 3.650 -17.369 1008 H HIS 122 H HIS 122 11.090 1.044 -22.443 1009 HA HIS 122 HA HIS 122 12.043 -0.751 -24.444 1010 HB2 HIS 122 1HB HIS 122 10.552 1.355 -24.653 1011 HB3 HIS 122 2HB HIS 122 12.063 2.273 -24.712 1012 HD1 HIS 122 HD1 HIS 122 10.350 2.527 -27.167 1013 HD2 HIS 122 HD2 HIS 122 13.058 -0.645 -26.704 1014 HE1 HIS 122 HE1 HIS 122 10.863 1.640 -29.505 1015 H HIS 123 H HIS 123 13.767 1.397 -22.311 1016 HA HIS 123 HA HIS 123 16.326 0.501 -23.542 1017 HB2 HIS 123 1HB HIS 123 15.750 3.311 -22.477 1018 HB3 HIS 123 2HB HIS 123 17.324 2.713 -23.005 1019 HD1 HIS 123 HD1 HIS 123 16.542 1.383 -25.729 1020 HD2 HIS 123 HD2 HIS 123 15.202 5.146 -24.446 1021 HE1 HIS 123 HE1 HIS 123 15.940 2.709 -27.821 1022 H HIS 124 H HIS 124 17.972 0.330 -21.794 1023 HA HIS 124 HA HIS 124 16.782 -0.386 -19.216 1024 HB2 HIS 124 1HB HIS 124 19.691 -0.005 -20.065 1025 HB3 HIS 124 2HB HIS 124 19.171 -0.646 -18.504 1026 HD1 HIS 124 HD1 HIS 124 17.422 -2.922 -18.870 1027 HD2 HIS 124 HD2 HIS 124 20.324 -2.031 -21.777 1028 HE1 HIS 124 HE1 HIS 124 17.816 -5.055 -20.209 1029 H HIS 125 H HIS 125 16.675 0.941 -17.441 1030 HA HIS 125 HA HIS 125 16.368 2.934 -16.361 1031 HB2 HIS 125 1HB HIS 125 19.012 3.711 -17.655 1032 HB3 HIS 125 2HB HIS 125 18.223 4.566 -16.333 1033 HD1 HIS 125 HD1 HIS 125 17.872 3.042 -14.036 1034 HD2 HIS 125 HD2 HIS 125 20.771 1.779 -16.786 1035 HE1 HIS 125 HE1 HIS 125 19.433 1.450 -12.790 Start of MODEL 7 1 H21 MYR 1 1H2 MYR 1 0.781 0.451 -0.471 2 H22 MYR 1 2H2 MYR 1 2.055 0.228 0.714 3 H31 MYR 1 1H3 MYR 1 -0.521 -1.452 0.710 4 H32 MYR 1 2H3 MYR 1 0.904 -1.938 -0.199 5 H41 MYR 1 1H4 MYR 1 2.273 -2.037 1.867 6 H42 MYR 1 2H4 MYR 1 0.953 -1.360 2.806 7 H51 MYR 1 1H5 MYR 1 -0.332 -3.555 1.787 8 H52 MYR 1 2H5 MYR 1 1.323 -4.169 1.773 9 H61 MYR 1 1H6 MYR 1 1.529 -3.560 4.219 10 H62 MYR 1 2H6 MYR 1 -0.111 -2.916 4.183 11 H71 MYR 1 1H7 MYR 1 -0.905 -5.268 3.465 12 H72 MYR 1 2H7 MYR 1 0.730 -5.839 3.830 13 H81 MYR 1 1H8 MYR 1 0.515 -5.082 6.180 14 H82 MYR 1 2H8 MYR 1 -1.034 -4.319 5.818 15 H91 MYR 1 1H9 MYR 1 -0.411 -7.307 5.879 16 H92 MYR 1 2H9 MYR 1 -1.883 -6.680 5.173 17 H101 MYR 1 1H10 MYR 1 -1.053 -6.012 8.041 18 H102 MYR 1 2H10 MYR 1 -1.944 -7.468 7.661 19 H111 MYR 1 1H11 MYR 1 -2.961 -4.642 6.999 20 H112 MYR 1 2H11 MYR 1 -3.840 -6.144 6.730 21 H121 MYR 1 1H12 MYR 1 -3.796 -6.585 9.226 22 H122 MYR 1 2H12 MYR 1 -2.979 -5.036 9.451 23 H131 MYR 1 1H13 MYR 1 -4.956 -3.864 8.379 24 H132 MYR 1 2H13 MYR 1 -5.766 -5.420 8.243 25 H141 MYR 1 1H14 MYR 1 -6.569 -4.209 10.258 26 H142 MYR 1 2H14 MYR 1 -5.697 -5.664 10.762 27 H143 MYR 1 3H14 MYR 1 -4.914 -4.076 10.875 28 H GLY 2 H GLY 2 1.796 1.084 2.736 29 HA2 GLY 2 1HA GLY 2 -0.698 1.682 3.999 30 HA3 GLY 2 2HA GLY 2 0.884 2.304 4.475 31 H GLN 3 H GLN 3 1.449 3.523 1.867 32 HA GLN 3 HA GLN 3 0.190 6.058 2.442 33 HB2 GLN 3 1HB GLN 3 1.828 5.121 0.066 34 HB3 GLN 3 2HB GLN 3 1.342 6.797 0.359 35 HG2 GLN 3 1HG GLN 3 3.106 5.107 2.171 36 HG3 GLN 3 2HG GLN 3 3.653 6.410 1.113 37 HE21 GLN 3 2HE2 GLN 3 2.331 8.536 1.524 38 HE22 GLN 3 1HE2 GLN 3 2.187 8.974 3.209 39 H GLU 4 H GLU 4 -0.564 3.454 0.107 40 HA GLU 4 HA GLU 4 -2.615 5.194 -1.104 41 HB2 GLU 4 1HB GLU 4 -3.029 3.472 -2.678 42 HB3 GLU 4 2HB GLU 4 -1.283 3.671 -2.501 43 HG2 GLU 4 1HG GLU 4 -1.421 1.694 -0.889 44 HG3 GLU 4 2HG GLU 4 -3.013 1.388 -1.575 45 H LEU 5 H LEU 5 -2.374 2.675 1.357 46 HA LEU 5 HA LEU 5 -5.187 2.165 1.604 47 HB2 LEU 5 1HB LEU 5 -2.898 2.077 3.585 48 HB3 LEU 5 2HB LEU 5 -4.543 1.695 4.048 49 HG LEU 5 HG LEU 5 -2.996 0.195 1.917 50 HD11 LEU 5 1HD1 LEU 5 -1.979 -0.085 4.152 51 HD12 LEU 5 2HD1 LEU 5 -2.744 -1.581 3.591 52 HD13 LEU 5 3HD1 LEU 5 -3.560 -0.574 4.807 53 HD21 LEU 5 3HD2 LEU 5 -5.605 -0.484 3.311 54 HD22 LEU 5 1HD2 LEU 5 -4.744 -1.497 2.133 55 HD23 LEU 5 2HD2 LEU 5 -5.428 0.054 1.630 56 H SER 6 H SER 6 -3.074 4.691 3.019 57 HA SER 6 HA SER 6 -5.018 6.033 4.571 58 HB2 SER 6 1HB SER 6 -2.775 7.247 2.908 59 HB3 SER 6 2HB SER 6 -3.607 8.029 4.264 60 HG SER 6 HG SER 6 -1.951 5.717 4.337 61 H GLN 7 H GLN 7 -4.895 5.821 1.087 62 HA GLN 7 HA GLN 7 -6.418 8.356 0.809 63 HB2 GLN 7 1HB GLN 7 -5.240 6.453 -1.240 64 HB3 GLN 7 2HB GLN 7 -6.114 7.940 -1.629 65 HG2 GLN 7 1HG GLN 7 -4.426 9.285 -0.497 66 HG3 GLN 7 2HG GLN 7 -3.587 7.831 0.048 67 HE21 GLN 7 2HE2 GLN 7 -1.923 7.184 -1.086 68 HE22 GLN 7 1HE2 GLN 7 -1.624 7.588 -2.767 69 H HIS 8 H HIS 8 -6.998 4.976 1.140 70 HA HIS 8 HA HIS 8 -9.563 5.133 -0.334 71 HB2 HIS 8 1HB HIS 8 -8.161 3.033 -0.277 72 HB3 HIS 8 2HB HIS 8 -8.520 2.892 1.431 73 HD1 HIS 8 HD1 HIS 8 -9.722 0.548 0.703 74 HD2 HIS 8 HD2 HIS 8 -11.519 4.050 -0.669 75 HE1 HIS 8 HE1 HIS 8 -12.062 -0.065 -0.028 76 H GLU 9 H GLU 9 -10.780 6.674 0.794 77 HA GLU 9 HA GLU 9 -10.699 7.015 3.556 78 HB2 GLU 9 1HB GLU 9 -12.690 8.333 3.362 79 HB3 GLU 9 2HB GLU 9 -11.612 8.637 1.994 80 HG2 GLU 9 1HG GLU 9 -13.019 7.139 0.588 81 HG3 GLU 9 2HG GLU 9 -14.133 6.946 1.954 82 H ARG 10 H ARG 10 -12.676 4.628 1.817 83 HA ARG 10 HA ARG 10 -14.379 4.035 4.072 84 HB2 ARG 10 1HB ARG 10 -13.556 2.236 1.771 85 HB3 ARG 10 2HB ARG 10 -14.914 1.977 2.867 86 HG2 ARG 10 1HG ARG 10 -15.953 4.091 2.029 87 HG3 ARG 10 2HG ARG 10 -14.607 4.269 0.885 88 HD2 ARG 10 1HD ARG 10 -16.421 3.261 -0.305 89 HD3 ARG 10 2HD ARG 10 -15.184 2.012 -0.046 90 HE ARG 10 HE ARG 10 -17.170 2.051 2.063 91 HH11 ARG 10 1HH1 ARG 10 -16.581 0.829 -1.197 92 HH12 ARG 10 2HH1 ARG 10 -17.729 -0.471 -1.019 93 HH21 ARG 10 1HH2 ARG 10 -18.623 0.379 2.213 94 HH22 ARG 10 2HH2 ARG 10 -18.861 -0.720 0.881 95 H TYR 11 H TYR 11 -11.217 2.744 2.989 96 HA TYR 11 HA TYR 11 -11.122 0.700 5.040 97 HB2 TYR 11 1HB TYR 11 -9.700 0.574 3.051 98 HB3 TYR 11 2HB TYR 11 -8.930 2.109 3.473 99 HD1 TYR 11 HD2 TYR 11 -9.558 -1.301 4.930 100 HD2 TYR 11 HD1 TYR 11 -6.922 2.085 4.684 101 HE1 TYR 11 HE2 TYR 11 -7.875 -2.494 6.312 102 HE2 TYR 11 HE1 TYR 11 -5.240 0.856 6.065 103 HH TYR 11 HH TYR 11 -4.708 -1.091 7.119 104 H VAL 12 H VAL 12 -9.953 4.032 4.639 105 HA VAL 12 HA VAL 12 -8.662 4.296 7.146 106 HB VAL 12 HB VAL 12 -10.077 6.370 5.427 107 HG11 VAL 12 1HG1 VAL 12 -8.323 6.781 7.872 108 HG12 VAL 12 2HG1 VAL 12 -8.697 8.054 6.688 109 HG13 VAL 12 3HG1 VAL 12 -9.993 7.317 7.638 110 HG21 VAL 12 3HG2 VAL 12 -8.076 5.223 4.447 111 HG22 VAL 12 1HG2 VAL 12 -7.822 6.953 4.712 112 HG23 VAL 12 2HG2 VAL 12 -7.121 5.768 5.836 113 H GLU 13 H GLU 13 -12.187 4.513 6.387 114 HA GLU 13 HA GLU 13 -13.010 5.642 8.832 115 HB2 GLU 13 1HB GLU 13 -14.304 3.659 6.996 116 HB3 GLU 13 2HB GLU 13 -15.084 4.138 8.502 117 HG2 GLU 13 1HG GLU 13 -15.033 6.473 7.825 118 HG3 GLU 13 2HG GLU 13 -14.233 6.041 6.316 119 H GLN 14 H GLN 14 -12.537 2.143 8.143 120 HA GLN 14 HA GLN 14 -13.097 1.446 10.909 121 HB2 GLN 14 1HB GLN 14 -11.756 -0.051 8.634 122 HB3 GLN 14 2HB GLN 14 -11.990 -0.745 10.244 123 HG2 GLN 14 1HG GLN 14 -14.239 0.260 8.465 124 HG3 GLN 14 2HG GLN 14 -13.735 -1.430 8.616 125 HE21 GLN 14 2HE2 GLN 14 -14.377 -2.623 10.360 126 HE22 GLN 14 1HE2 GLN 14 -15.460 -2.020 11.587 127 H LEU 15 H LEU 15 -10.180 2.178 9.015 128 HA LEU 15 HA LEU 15 -8.336 1.340 11.007 129 HB2 LEU 15 1HB LEU 15 -7.954 1.868 8.543 130 HB3 LEU 15 2HB LEU 15 -7.880 3.564 9.022 131 HG LEU 15 HG LEU 15 -5.955 3.041 10.491 132 HD11 LEU 15 1HD1 LEU 15 -6.306 0.691 11.015 133 HD12 LEU 15 2HD1 LEU 15 -4.772 0.838 10.143 134 HD13 LEU 15 3HD1 LEU 15 -6.219 0.249 9.291 135 HD21 LEU 15 3HD2 LEU 15 -5.584 3.843 8.233 136 HD22 LEU 15 1HD2 LEU 15 -5.684 2.198 7.606 137 HD23 LEU 15 2HD2 LEU 15 -4.339 2.661 8.667 138 H LYS 16 H LYS 16 -10.159 4.350 10.684 139 HA LYS 16 HA LYS 16 -8.696 6.063 12.425 140 HB2 LYS 16 1HB LYS 16 -11.699 5.686 12.086 141 HB3 LYS 16 2HB LYS 16 -11.013 6.948 13.097 142 HG2 LYS 16 1HG LYS 16 -10.199 8.172 11.248 143 HG3 LYS 16 2HG LYS 16 -10.313 6.784 10.170 144 HD2 LYS 16 1HD LYS 16 -12.855 6.829 10.586 145 HD3 LYS 16 2HD LYS 16 -12.607 8.425 11.309 146 HE2 LYS 16 1HE LYS 16 -11.677 9.261 9.178 147 HE3 LYS 16 2HE LYS 16 -11.787 7.638 8.477 148 HZ1 LYS 16 3HZ LYS 16 -13.630 9.013 7.753 149 HZ2 LYS 16 1HZ LYS 16 -14.119 9.277 9.306 150 HZ3 LYS 16 2HZ LYS 16 -14.200 7.762 8.658 151 H GLN 17 H GLN 17 -11.107 3.540 13.094 152 HA GLN 17 HA GLN 17 -10.841 3.955 15.978 153 HB2 GLN 17 1HB GLN 17 -12.356 1.878 14.371 154 HB3 GLN 17 2HB GLN 17 -12.472 2.114 16.118 155 HG2 GLN 17 1HG GLN 17 -13.239 4.184 14.024 156 HG3 GLN 17 2HG GLN 17 -14.362 3.127 14.886 157 HE21 GLN 17 2HE2 GLN 17 -14.905 3.549 17.000 158 HE22 GLN 17 1HE2 GLN 17 -14.444 5.018 17.821 159 H ALA 18 H ALA 18 -9.820 1.520 13.556 160 HA ALA 18 HA ALA 18 -8.980 -0.426 15.408 161 HB1 ALA 18 3HB ALA 18 -7.865 0.170 12.657 162 HB2 ALA 18 1HB ALA 18 -7.624 -1.332 13.577 163 HB3 ALA 18 2HB ALA 18 -9.261 -0.877 13.039 164 H LEU 19 H LEU 19 -7.124 2.414 14.183 165 HA LEU 19 HA LEU 19 -4.635 1.667 15.403 166 HB2 LEU 19 1HB LEU 19 -5.835 4.125 14.296 167 HB3 LEU 19 2HB LEU 19 -4.810 4.439 15.692 168 HG LEU 19 HG LEU 19 -3.052 2.967 14.449 169 HD11 LEU 19 1HD1 LEU 19 -4.801 3.870 12.137 170 HD12 LEU 19 2HD1 LEU 19 -4.463 2.191 12.619 171 HD13 LEU 19 3HD1 LEU 19 -3.153 3.214 11.975 172 HD21 LEU 19 3HD2 LEU 19 -2.193 4.968 13.219 173 HD22 LEU 19 1HD2 LEU 19 -2.680 5.320 14.898 174 HD23 LEU 19 2HD2 LEU 19 -3.743 5.782 13.551 175 H LYS 20 H LYS 20 -7.550 3.249 16.688 176 HA LYS 20 HA LYS 20 -6.352 3.925 19.240 177 HB2 LYS 20 1HB LYS 20 -9.279 3.626 18.471 178 HB3 LYS 20 2HB LYS 20 -8.678 4.414 19.926 179 HG2 LYS 20 1HG LYS 20 -7.713 6.213 18.629 180 HG3 LYS 20 2HG LYS 20 -8.067 5.363 17.112 181 HD2 LYS 20 1HD LYS 20 -10.491 5.427 17.668 182 HD3 LYS 20 2HD LYS 20 -10.116 6.399 19.103 183 HE2 LYS 20 1HE LYS 20 -9.226 8.189 17.702 184 HE3 LYS 20 2HE LYS 20 -9.411 7.181 16.249 185 HZ1 LYS 20 3HZ LYS 20 -11.632 8.132 17.960 186 HZ2 LYS 20 1HZ LYS 20 -11.803 7.154 16.641 187 HZ3 LYS 20 2HZ LYS 20 -11.258 8.704 16.459 188 H THR 21 H THR 21 -8.037 1.032 18.031 189 HA THR 21 HA THR 21 -8.867 0.055 20.583 190 HB THR 21 HB THR 21 -8.964 -2.198 19.578 191 HG1 THR 21 HG1 THR 21 -7.615 -0.964 17.376 192 HG21 THR 21 1HG2 THR 21 -10.733 -0.471 19.032 193 HG22 THR 21 2HG2 THR 21 -10.565 -1.800 17.867 194 HG23 THR 21 3HG2 THR 21 -9.887 -0.212 17.493 195 H ARG 22 H ARG 22 -5.704 0.139 19.113 196 HA ARG 22 HA ARG 22 -4.691 -1.909 20.964 197 HB2 ARG 22 1HB ARG 22 -3.950 -1.286 18.471 198 HB3 ARG 22 2HB ARG 22 -2.889 -0.165 19.329 199 HG2 ARG 22 1HG ARG 22 -1.531 -2.023 19.138 200 HG3 ARG 22 2HG ARG 22 -2.229 -2.301 20.734 201 HD2 ARG 22 1HD ARG 22 -3.288 -3.503 18.143 202 HD3 ARG 22 2HD ARG 22 -2.185 -4.329 19.236 203 HE ARG 22 HE ARG 22 -5.048 -3.904 19.600 204 HH11 ARG 22 1HH1 ARG 22 -2.035 -4.751 21.277 205 HH12 ARG 22 2HH1 ARG 22 -2.901 -5.442 22.625 206 HH21 ARG 22 1HH2 ARG 22 -6.049 -4.803 21.354 207 HH22 ARG 22 2HH2 ARG 22 -5.115 -5.483 22.659 208 H GLY 23 H GLY 23 -5.225 1.467 21.018 209 HA2 GLY 23 1HA GLY 23 -4.804 2.978 22.707 210 HA3 GLY 23 2HA GLY 23 -4.055 1.680 23.648 211 H VAL 24 H VAL 24 -2.525 1.622 20.730 212 HA VAL 24 HA VAL 24 -0.144 2.838 21.898 213 HB VAL 24 HB VAL 24 -0.591 1.572 19.149 214 HG11 VAL 24 1HG1 VAL 24 1.901 1.418 19.091 215 HG12 VAL 24 2HG1 VAL 24 1.329 3.094 19.108 216 HG13 VAL 24 3HG1 VAL 24 1.982 2.363 20.594 217 HG21 VAL 24 3HG2 VAL 24 0.580 -0.390 20.108 218 HG22 VAL 24 1HG2 VAL 24 0.681 0.430 21.683 219 HG23 VAL 24 2HG2 VAL 24 -0.898 -0.035 21.019 220 H LYS 25 H LYS 25 0.307 4.916 21.747 221 HA LYS 25 HA LYS 25 -1.308 6.593 19.977 222 HB2 LYS 25 1HB LYS 25 0.871 7.286 21.981 223 HB3 LYS 25 2HB LYS 25 -0.155 8.457 21.134 224 HG2 LYS 25 1HG LYS 25 -2.161 7.436 22.188 225 HG3 LYS 25 2HG LYS 25 -1.107 6.318 23.076 226 HD2 LYS 25 1HD LYS 25 0.018 8.248 24.146 227 HD3 LYS 25 2HD LYS 25 -1.092 9.346 23.296 228 HE2 LYS 25 1HE LYS 25 -3.020 8.238 24.397 229 HE3 LYS 25 2HE LYS 25 -1.906 7.150 25.248 230 HZ1 LYS 25 3HZ LYS 25 -0.945 9.087 26.340 231 HZ2 LYS 25 1HZ LYS 25 -2.566 9.011 26.638 232 HZ3 LYS 25 2HZ LYS 25 -1.978 10.101 25.548 233 H VAL 26 H VAL 26 -0.559 5.858 17.950 234 HA VAL 26 HA VAL 26 1.909 7.332 17.115 235 HB VAL 26 HB VAL 26 2.139 5.626 15.247 236 HG11 VAL 26 1HG1 VAL 26 3.669 5.561 17.135 237 HG12 VAL 26 2HG1 VAL 26 2.518 4.605 18.087 238 HG13 VAL 26 3HG1 VAL 26 3.274 3.903 16.638 239 HG21 VAL 26 3HG2 VAL 26 0.257 3.935 16.969 240 HG22 VAL 26 1HG2 VAL 26 -0.144 4.638 15.383 241 HG23 VAL 26 2HG2 VAL 26 1.120 3.398 15.512 242 H LYS 27 H LYS 27 1.687 8.249 14.955 243 HA LYS 27 HA LYS 27 -1.128 9.060 14.506 244 HB2 LYS 27 1HB LYS 27 1.156 10.440 14.493 245 HB3 LYS 27 2HB LYS 27 1.216 9.918 12.811 246 HG2 LYS 27 1HG LYS 27 -0.900 11.057 12.357 247 HG3 LYS 27 2HG LYS 27 -1.077 11.449 14.085 248 HD2 LYS 27 1HD LYS 27 1.083 12.701 13.983 249 HD3 LYS 27 2HD LYS 27 1.144 12.405 12.235 250 HE2 LYS 27 1HE LYS 27 -0.975 13.639 11.946 251 HE3 LYS 27 2HE LYS 27 -1.071 13.895 13.704 252 HZ1 LYS 27 3HZ LYS 27 1.005 15.142 13.574 253 HZ2 LYS 27 1HZ LYS 27 -0.125 15.820 12.581 254 HZ3 LYS 27 2HZ LYS 27 1.094 14.910 11.943 255 H PHE 28 H PHE 28 -1.971 9.005 12.224 256 HA PHE 28 HA PHE 28 -1.718 6.458 10.931 257 HB2 PHE 28 1HB PHE 28 -2.817 9.187 10.262 258 HB3 PHE 28 2HB PHE 28 -2.455 8.126 8.899 259 HD1 PHE 28 HD1 PHE 28 -4.094 7.682 12.289 260 HD2 PHE 28 HD2 PHE 28 -4.269 7.049 8.034 261 HE1 PHE 28 HE1 PHE 28 -6.280 6.513 12.550 262 HE2 PHE 28 HE2 PHE 28 -6.443 5.900 8.290 263 HZ PHE 28 HZ PHE 28 -7.460 5.638 10.535 264 H ALA 29 H ALA 29 -0.115 9.592 10.475 265 HA ALA 29 HA ALA 29 1.334 8.999 8.128 266 HB1 ALA 29 3HB ALA 29 2.780 10.859 8.817 267 HB2 ALA 29 1HB ALA 29 1.079 11.270 9.136 268 HB3 ALA 29 2HB ALA 29 2.150 10.769 10.478 269 H ASP 30 H ASP 30 1.882 8.043 11.473 270 HA ASP 30 HA ASP 30 4.639 7.230 10.907 271 HB2 ASP 30 1HB ASP 30 2.889 6.758 13.341 272 HB3 ASP 30 2HB ASP 30 4.626 6.454 13.229 273 H LEU 31 H LEU 31 1.453 5.698 11.620 274 HA LEU 31 HA LEU 31 2.600 3.081 11.578 275 HB2 LEU 31 1HB LEU 31 0.206 4.114 12.410 276 HB3 LEU 31 2HB LEU 31 -0.271 3.184 10.972 277 HG LEU 31 HG LEU 31 1.345 2.135 13.353 278 HD11 LEU 31 1HD1 LEU 31 -0.992 2.548 13.894 279 HD12 LEU 31 2HD1 LEU 31 -0.641 0.811 13.860 280 HD13 LEU 31 3HD1 LEU 31 -1.503 1.565 12.498 281 HD21 LEU 31 3HD2 LEU 31 0.848 -0.126 12.307 282 HD22 LEU 31 1HD2 LEU 31 2.032 0.872 11.443 283 HD23 LEU 31 2HD2 LEU 31 0.368 0.760 10.841 284 H LEU 32 H LEU 32 0.555 4.768 9.148 285 HA LEU 32 HA LEU 32 0.710 2.582 7.297 286 HB2 LEU 32 1HB LEU 32 0.113 5.505 6.954 287 HB3 LEU 32 2HB LEU 32 0.234 4.432 5.586 288 HG LEU 32 HG LEU 32 -2.007 4.504 5.904 289 HD11 LEU 32 1HD1 LEU 32 -1.669 2.219 7.794 290 HD12 LEU 32 2HD1 LEU 32 -1.239 2.090 6.073 291 HD13 LEU 32 3HD1 LEU 32 -2.899 2.484 6.539 292 HD21 LEU 32 3HD2 LEU 32 -1.733 4.345 8.871 293 HD22 LEU 32 1HD2 LEU 32 -3.209 4.641 7.904 294 HD23 LEU 32 2HD2 LEU 32 -1.910 5.839 7.907 295 H LYS 33 H LYS 33 3.002 5.115 8.014 296 HA LYS 33 HA LYS 33 4.616 4.849 5.655 297 HB2 LYS 33 1HB LYS 33 4.920 6.636 7.261 298 HB3 LYS 33 2HB LYS 33 5.304 5.481 8.530 299 HG2 LYS 33 1HG LYS 33 7.391 4.881 7.406 300 HG3 LYS 33 2HG LYS 33 6.991 5.976 6.064 301 HD2 LYS 33 1HD LYS 33 8.507 7.160 7.505 302 HD3 LYS 33 2HD LYS 33 6.896 7.864 7.745 303 HE2 LYS 33 1HE LYS 33 6.622 6.409 9.789 304 HE3 LYS 33 2HE LYS 33 8.293 5.853 9.568 305 HZ1 LYS 33 3HZ LYS 33 9.001 8.167 9.818 306 HZ2 LYS 33 1HZ LYS 33 8.161 7.669 11.148 307 HZ3 LYS 33 2HZ LYS 33 7.439 8.654 10.044 308 H PHE 34 H PHE 34 4.489 2.931 8.697 309 HA PHE 34 HA PHE 34 6.698 1.248 7.770 310 HB2 PHE 34 1HB PHE 34 4.893 1.203 10.169 311 HB3 PHE 34 2HB PHE 34 5.885 -0.201 9.750 312 HD1 PHE 34 HD1 PHE 34 8.312 -0.146 9.859 313 HD2 PHE 34 HD2 PHE 34 5.969 3.292 10.880 314 HE1 PHE 34 HE1 PHE 34 10.326 0.923 10.863 315 HE2 PHE 34 HE2 PHE 34 7.963 4.381 11.888 316 HZ PHE 34 HZ PHE 34 10.158 3.204 11.860 317 H PHE 35 H PHE 35 3.192 1.212 7.444 318 HA PHE 35 HA PHE 35 3.057 -1.558 6.582 319 HB2 PHE 35 1HB PHE 35 1.319 0.863 6.152 320 HB3 PHE 35 2HB PHE 35 1.083 -0.576 5.166 321 HD1 PHE 35 HD1 PHE 35 1.013 -2.866 6.577 322 HD2 PHE 35 HD2 PHE 35 0.010 1.009 8.100 323 HE1 PHE 35 HE1 PHE 35 -0.459 -3.914 8.295 324 HE2 PHE 35 HE2 PHE 35 -1.486 -0.018 9.786 325 HZ PHE 35 HZ PHE 35 -1.739 -2.478 9.880 326 H ASP 36 H ASP 36 3.918 1.530 5.005 327 HA ASP 36 HA ASP 36 4.058 0.469 2.323 328 HB2 ASP 36 1HB ASP 36 4.597 2.951 3.674 329 HB3 ASP 36 2HB ASP 36 6.035 2.513 2.742 330 H PHE 37 H PHE 37 6.316 0.615 5.057 331 HA PHE 37 HA PHE 37 8.654 -0.180 3.635 332 HB2 PHE 37 1HB PHE 37 8.620 0.867 5.881 333 HB3 PHE 37 2HB PHE 37 7.942 -0.617 6.556 334 HD1 PHE 37 HD1 PHE 37 10.870 0.414 4.407 335 HD2 PHE 37 HD2 PHE 37 9.409 -2.082 7.597 336 HE1 PHE 37 HE1 PHE 37 13.163 -0.488 4.746 337 HE2 PHE 37 HE2 PHE 37 11.704 -2.987 7.944 338 HZ PHE 37 HZ PHE 37 13.587 -2.191 6.515 339 H VAL 38 H VAL 38 5.983 -2.139 4.981 340 HA VAL 38 HA VAL 38 7.485 -4.609 4.750 341 HB VAL 38 HB VAL 38 5.665 -5.701 5.513 342 HG11 VAL 38 1HG1 VAL 38 4.188 -4.421 6.851 343 HG12 VAL 38 2HG1 VAL 38 5.773 -3.630 6.873 344 HG13 VAL 38 3HG1 VAL 38 4.466 -2.986 5.858 345 HG21 VAL 38 3HG2 VAL 38 3.829 -4.078 3.703 346 HG22 VAL 38 1HG2 VAL 38 4.394 -5.747 3.431 347 HG23 VAL 38 2HG2 VAL 38 3.301 -5.393 4.776 348 H LYS 39 H LYS 39 5.697 -2.576 2.525 349 HA LYS 39 HA LYS 39 5.298 -4.642 0.591 350 HB2 LYS 39 1HB LYS 39 4.202 -2.260 0.779 351 HB3 LYS 39 2HB LYS 39 5.587 -1.732 -0.182 352 HG2 LYS 39 1HG LYS 39 4.943 -3.431 -1.929 353 HG3 LYS 39 2HG LYS 39 3.516 -3.822 -0.952 354 HD2 LYS 39 1HD LYS 39 2.865 -1.367 -1.119 355 HD3 LYS 39 2HD LYS 39 4.155 -1.176 -2.314 356 HE2 LYS 39 1HE LYS 39 3.084 -2.908 -3.739 357 HE3 LYS 39 2HE LYS 39 1.814 -3.130 -2.526 358 HZ1 LYS 39 3HZ LYS 39 2.280 -0.616 -4.031 359 HZ2 LYS 39 1HZ LYS 39 1.065 -0.866 -2.939 360 HZ3 LYS 39 2HZ LYS 39 1.090 -1.713 -4.355 361 H ASP 40 H ASP 40 7.798 -2.256 1.239 362 HA ASP 40 HA ASP 40 9.480 -2.751 -1.038 363 HB2 ASP 40 1HB ASP 40 9.568 -0.747 0.470 364 HB3 ASP 40 2HB ASP 40 10.199 -1.777 1.761 365 H THR 41 H THR 41 9.584 -3.949 2.348 366 HA THR 41 HA THR 41 11.891 -5.606 1.913 367 HB THR 41 HB THR 41 9.767 -5.984 4.080 368 HG1 THR 41 HG1 THR 41 10.489 -3.782 3.958 369 HG21 THR 41 1HG2 THR 41 12.782 -6.380 4.159 370 HG22 THR 41 2HG2 THR 41 11.625 -7.700 3.889 371 HG23 THR 41 3HG2 THR 41 11.610 -6.807 5.418 372 H CYS 42 H CYS 42 8.406 -6.197 1.631 373 HA CYS 42 HA CYS 42 9.000 -9.002 0.764 374 HB2 CYS 42 1HB CYS 42 6.640 -7.964 2.371 375 HB3 CYS 42 2HB CYS 42 6.799 -9.606 1.741 376 HG CYS 42 HG CYS 42 8.884 -8.073 3.762 377 HA PRO 43 HA PRO 43 6.639 -6.742 -2.500 378 HB2 PRO 43 1HB PRO 43 7.925 -7.767 -4.687 379 HB3 PRO 43 2HB PRO 43 8.569 -6.378 -3.753 380 HG2 PRO 43 1HG PRO 43 9.286 -9.299 -3.513 381 HG3 PRO 43 2HG PRO 43 10.373 -7.885 -3.709 382 HD2 PRO 43 1HD PRO 43 9.881 -8.952 -1.280 383 HD3 PRO 43 2HD PRO 43 10.028 -7.169 -1.497 384 H TRP 44 H TRP 44 7.412 -10.085 -1.867 385 HA TRP 44 HA TRP 44 5.407 -11.198 -3.648 386 HB2 TRP 44 1HB TRP 44 5.810 -13.201 -1.979 387 HB3 TRP 44 2HB TRP 44 7.002 -12.759 -3.207 388 HD1 TRP 44 HD1 TRP 44 6.385 -11.680 0.490 389 HE1 TRP 44 HE1 TRP 44 8.617 -11.548 1.725 390 HE3 TRP 44 HE3 TRP 44 9.411 -12.946 -3.425 391 HZ2 TRP 44 HZ2 TRP 44 11.370 -11.944 1.086 392 HZ3 TRP 44 HZ3 TRP 44 11.883 -13.068 -3.043 393 HH2 TRP 44 HH2 TRP 44 12.840 -12.566 -0.795 394 H PHE 45 H PHE 45 5.204 -9.587 -0.569 395 HA PHE 45 HA PHE 45 2.992 -11.170 0.413 396 HB2 PHE 45 1HB PHE 45 4.438 -9.787 1.878 397 HB3 PHE 45 2HB PHE 45 3.714 -8.332 1.190 398 HD1 PHE 45 HD1 PHE 45 3.162 -11.271 3.358 399 HD2 PHE 45 HD2 PHE 45 1.391 -7.708 1.718 400 HE1 PHE 45 HE1 PHE 45 1.297 -11.445 5.003 401 HE2 PHE 45 HE2 PHE 45 -0.484 -7.890 3.339 402 HZ PHE 45 HZ PHE 45 -0.534 -9.746 4.994 403 HA PRO 46 HA PRO 46 0.071 -8.017 -1.328 404 HB2 PRO 46 1HB PRO 46 0.731 -6.343 -3.377 405 HB3 PRO 46 2HB PRO 46 0.930 -5.868 -1.658 406 HG2 PRO 46 1HG PRO 46 2.980 -7.009 -3.542 407 HG3 PRO 46 2HG PRO 46 3.076 -5.527 -2.541 408 HD2 PRO 46 1HD PRO 46 4.154 -7.828 -1.689 409 HD3 PRO 46 2HD PRO 46 3.295 -6.750 -0.544 410 H GLN 47 H GLN 47 2.602 -9.472 -3.278 411 HA GLN 47 HA GLN 47 1.089 -9.978 -5.642 412 HB2 GLN 47 1HB GLN 47 3.573 -10.106 -5.392 413 HB3 GLN 47 2HB GLN 47 3.371 -11.568 -4.433 414 HG2 GLN 47 1HG GLN 47 1.967 -11.938 -6.885 415 HG3 GLN 47 2HG GLN 47 3.584 -11.317 -7.248 416 HE21 GLN 47 2HE2 GLN 47 1.740 -14.020 -6.322 417 HE22 GLN 47 1HE2 GLN 47 3.073 -15.109 -6.002 418 H GLU 48 H GLU 48 1.461 -11.859 -2.579 419 HA GLU 48 HA GLU 48 -0.369 -13.914 -3.667 420 HB2 GLU 48 1HB GLU 48 -0.054 -15.102 -1.613 421 HB3 GLU 48 2HB GLU 48 1.514 -14.595 -2.245 422 HG2 GLU 48 1HG GLU 48 1.555 -12.738 -0.595 423 HG3 GLU 48 2HG GLU 48 0.018 -13.314 0.067 424 H GLY 49 H GLY 49 -0.462 -11.046 -1.669 425 HA2 GLY 49 1HA GLY 49 -2.221 -9.842 -0.873 426 HA3 GLY 49 2HA GLY 49 -3.151 -10.592 -2.154 427 H THR 50 H THR 50 -1.827 -12.443 0.559 428 HA THR 50 HA THR 50 -4.630 -12.745 1.586 429 HB THR 50 HB THR 50 -2.445 -14.863 1.555 430 HG1 THR 50 HG1 THR 50 -3.413 -14.317 -0.527 431 HG21 THR 50 1HG2 THR 50 -3.945 -15.239 3.424 432 HG22 THR 50 2HG2 THR 50 -4.421 -16.358 2.128 433 HG23 THR 50 3HG2 THR 50 -5.371 -14.885 2.412 434 H ILE 51 H ILE 51 -4.888 -12.341 3.707 435 HA ILE 51 HA ILE 51 -2.361 -11.657 5.155 436 HB ILE 51 HB ILE 51 -5.092 -10.355 5.388 437 HG12 ILE 51 1HG1 ILE 51 -2.450 -9.324 4.269 438 HG13 ILE 51 2HG1 ILE 51 -3.754 -9.928 3.266 439 HG21 ILE 51 1HG2 ILE 51 -2.420 -9.615 6.680 440 HG22 ILE 51 2HG2 ILE 51 -3.967 -8.727 6.854 441 HG23 ILE 51 3HG2 ILE 51 -3.788 -10.359 7.531 442 HD11 ILE 51 3HD1 ILE 51 -5.209 -8.166 4.196 443 HD12 ILE 51 1HD1 ILE 51 -3.781 -7.504 5.000 444 HD13 ILE 51 2HD1 ILE 51 -3.830 -7.600 3.235 445 H ASP 52 H ASP 52 -2.154 -13.725 5.742 446 HA ASP 52 HA ASP 52 -3.979 -14.780 7.867 447 HB2 ASP 52 1HB ASP 52 -1.554 -15.951 6.434 448 HB3 ASP 52 2HB ASP 52 -2.334 -16.720 7.801 449 H ILE 53 H ILE 53 -3.046 -15.091 9.980 450 HA ILE 53 HA ILE 53 -0.886 -13.304 10.635 451 HB ILE 53 HB ILE 53 -2.593 -14.078 12.336 452 HG12 ILE 53 1HG1 ILE 53 -0.989 -14.389 14.196 453 HG13 ILE 53 2HG1 ILE 53 0.291 -14.700 13.037 454 HG21 ILE 53 1HG2 ILE 53 -2.359 -16.239 13.438 455 HG22 ILE 53 2HG2 ILE 53 -2.591 -16.527 11.702 456 HG23 ILE 53 3HG2 ILE 53 -0.958 -16.658 12.422 457 HD11 ILE 53 3HD1 ILE 53 0.173 -12.413 12.220 458 HD12 ILE 53 1HD1 ILE 53 -1.198 -12.099 13.303 459 HD13 ILE 53 2HD1 ILE 53 0.394 -12.445 13.975 460 H LYS 54 H LYS 54 -1.115 -16.633 9.583 461 HA LYS 54 HA LYS 54 1.560 -17.407 10.317 462 HB2 LYS 54 1HB LYS 54 -0.289 -18.458 8.132 463 HB3 LYS 54 2HB LYS 54 1.222 -19.229 8.640 464 HG2 LYS 54 1HG LYS 54 0.293 -19.495 10.934 465 HG3 LYS 54 2HG LYS 54 -1.241 -18.797 10.374 466 HD2 LYS 54 1HD LYS 54 -1.412 -20.615 8.675 467 HD3 LYS 54 2HD LYS 54 0.062 -21.346 9.336 468 HE2 LYS 54 1HE LYS 54 -2.520 -20.861 10.889 469 HE3 LYS 54 2HE LYS 54 -2.032 -22.412 10.185 470 HZ1 LYS 54 3HZ LYS 54 -0.095 -22.400 11.642 471 HZ2 LYS 54 1HZ LYS 54 -1.484 -22.303 12.528 472 HZ3 LYS 54 2HZ LYS 54 -0.553 -20.960 12.305 473 H ARG 55 H ARG 55 0.185 -15.759 7.477 474 HA ARG 55 HA ARG 55 2.712 -15.881 5.993 475 HB2 ARG 55 1HB ARG 55 0.135 -14.315 5.631 476 HB3 ARG 55 2HB ARG 55 1.539 -14.140 4.566 477 HG2 ARG 55 1HG ARG 55 1.420 -16.470 3.925 478 HG3 ARG 55 2HG ARG 55 0.085 -16.764 5.058 479 HD2 ARG 55 1HD ARG 55 -1.446 -15.723 3.726 480 HD3 ARG 55 2HD ARG 55 -0.264 -14.541 3.140 481 HE ARG 55 HE ARG 55 0.539 -16.058 1.526 482 HH11 ARG 55 1HH1 ARG 55 -2.268 -17.446 3.248 483 HH12 ARG 55 2HH1 ARG 55 -2.534 -18.604 1.967 484 HH21 ARG 55 1HH2 ARG 55 0.116 -17.503 0.016 485 HH22 ARG 55 2HH2 ARG 55 -1.206 -18.643 0.161 486 H TRP 56 H TRP 56 0.980 -13.635 8.129 487 HA TRP 56 HA TRP 56 2.749 -11.439 7.831 488 HB2 TRP 56 1HB TRP 56 0.494 -11.508 8.981 489 HB3 TRP 56 2HB TRP 56 1.311 -12.226 10.374 490 HD1 TRP 56 HD1 TRP 56 2.095 -10.488 12.112 491 HE1 TRP 56 HE1 TRP 56 2.667 -8.008 12.185 492 HE3 TRP 56 HE3 TRP 56 1.505 -9.498 7.128 493 HZ2 TRP 56 HZ2 TRP 56 2.882 -5.872 10.310 494 HZ3 TRP 56 HZ3 TRP 56 1.939 -7.175 6.310 495 HH2 TRP 56 HH2 TRP 56 2.601 -5.379 7.908 496 H ARG 57 H ARG 57 3.107 -14.462 9.668 497 HA ARG 57 HA ARG 57 5.276 -13.669 11.347 498 HB2 ARG 57 1HB ARG 57 5.188 -16.353 9.954 499 HB3 ARG 57 2HB ARG 57 5.982 -15.942 11.466 500 HG2 ARG 57 1HG ARG 57 3.037 -16.317 10.964 501 HG3 ARG 57 2HG ARG 57 4.088 -17.306 11.953 502 HD2 ARG 57 1HD ARG 57 4.351 -15.170 13.389 503 HD3 ARG 57 2HD ARG 57 2.909 -14.591 12.536 504 HE ARG 57 HE ARG 57 2.500 -17.234 13.570 505 HH11 ARG 57 1HH1 ARG 57 2.598 -13.879 14.662 506 HH12 ARG 57 2HH1 ARG 57 1.453 -14.184 15.952 507 HH21 ARG 57 1HH2 ARG 57 1.067 -17.516 15.278 508 HH22 ARG 57 2HH2 ARG 57 0.592 -16.153 16.269 509 H ARG 58 H ARG 58 5.243 -14.825 7.970 510 HA ARG 58 HA ARG 58 8.070 -14.841 7.630 511 HB2 ARG 58 1HB ARG 58 5.847 -14.518 5.593 512 HB3 ARG 58 2HB ARG 58 7.552 -14.736 5.199 513 HG2 ARG 58 1HG ARG 58 7.534 -16.895 6.436 514 HG3 ARG 58 2HG ARG 58 5.789 -16.708 6.693 515 HD2 ARG 58 1HD ARG 58 6.249 -18.173 4.761 516 HD3 ARG 58 2HD ARG 58 5.415 -16.693 4.258 517 HE ARG 58 HE ARG 58 7.257 -16.052 3.029 518 HH11 ARG 58 1HH1 ARG 58 8.292 -18.696 5.140 519 HH12 ARG 58 2HH1 ARG 58 9.839 -18.833 4.351 520 HH21 ARG 58 1HH2 ARG 58 9.247 -16.294 2.086 521 HH22 ARG 58 2HH2 ARG 58 10.368 -17.497 2.660 522 H VAL 59 H VAL 59 5.793 -12.168 7.492 523 HA VAL 59 HA VAL 59 7.535 -10.397 6.024 524 HB VAL 59 HB VAL 59 5.379 -9.710 8.080 525 HG11 VAL 59 1HG1 VAL 59 5.254 -7.554 6.901 526 HG12 VAL 59 2HG1 VAL 59 6.873 -7.819 7.573 527 HG13 VAL 59 3HG1 VAL 59 6.591 -8.051 5.835 528 HG21 VAL 59 3HG2 VAL 59 3.925 -9.411 6.074 529 HG22 VAL 59 1HG2 VAL 59 5.220 -10.105 5.072 530 HG23 VAL 59 2HG2 VAL 59 4.433 -11.089 6.328 531 H GLY 60 H GLY 60 7.072 -11.264 9.438 532 HA2 GLY 60 1HA GLY 60 8.969 -9.321 10.420 533 HA3 GLY 60 2HA GLY 60 8.291 -10.702 11.300 534 H ASP 61 H ASP 61 9.095 -12.746 9.477 535 HA ASP 61 HA ASP 61 11.763 -13.281 10.333 536 HB2 ASP 61 1HB ASP 61 10.267 -14.379 7.907 537 HB3 ASP 61 2HB ASP 61 11.728 -15.080 8.611 538 H CYS 62 H CYS 62 10.384 -11.874 7.370 539 HA CYS 62 HA CYS 62 12.790 -11.626 5.870 540 HB2 CYS 62 1HB CYS 62 10.038 -10.768 5.714 541 HB3 CYS 62 2HB CYS 62 11.089 -9.405 5.340 542 HG CYS 62 HG CYS 62 10.563 -10.184 3.085 543 H PHE 63 H PHE 63 11.209 -9.350 8.187 544 HA PHE 63 HA PHE 63 13.107 -7.244 7.767 545 HB2 PHE 63 1HB PHE 63 11.577 -7.963 10.298 546 HB3 PHE 63 2HB PHE 63 12.492 -6.478 10.062 547 HD1 PHE 63 HD2 PHE 63 11.743 -5.646 7.315 548 HD2 PHE 63 HD1 PHE 63 9.341 -7.284 10.488 549 HE1 PHE 63 HE2 PHE 63 9.731 -4.527 6.371 550 HE2 PHE 63 HE1 PHE 63 7.334 -6.153 9.551 551 HZ PHE 63 HZ PHE 63 7.526 -4.786 7.483 552 H GLN 64 H GLN 64 13.129 -10.146 9.861 553 HA GLN 64 HA GLN 64 15.444 -9.329 11.355 554 HB2 GLN 64 1HB GLN 64 13.831 -11.090 12.058 555 HB3 GLN 64 2HB GLN 64 14.464 -12.138 10.781 556 HG2 GLN 64 1HG GLN 64 16.678 -12.131 11.813 557 HG3 GLN 64 2HG GLN 64 16.121 -10.992 13.052 558 HE21 GLN 64 2HE2 GLN 64 16.652 -14.207 12.343 559 HE22 GLN 64 1HE2 GLN 64 15.687 -14.913 13.616 560 H ASP 65 H ASP 65 15.047 -11.340 8.420 561 HA ASP 65 HA ASP 65 17.778 -12.115 8.190 562 HB2 ASP 65 1HB ASP 65 15.596 -12.815 6.908 563 HB3 ASP 65 2HB ASP 65 16.034 -11.517 5.795 564 H TYR 66 H TYR 66 15.963 -9.383 6.773 565 HA TYR 66 HA TYR 66 18.173 -8.176 5.447 566 HB2 TYR 66 1HB TYR 66 15.518 -7.788 5.508 567 HB3 TYR 66 2HB TYR 66 15.976 -6.496 6.601 568 HD1 TYR 66 HD2 TYR 66 18.515 -5.475 5.309 569 HD2 TYR 66 HD1 TYR 66 14.826 -6.796 3.526 570 HE1 TYR 66 HE2 TYR 66 18.974 -4.088 3.307 571 HE2 TYR 66 HE1 TYR 66 15.278 -5.362 1.543 572 HH TYR 66 HH TYR 66 16.722 -3.943 0.530 573 H PHE 67 H PHE 67 16.865 -7.783 8.756 574 HA PHE 67 HA PHE 67 18.554 -5.571 9.476 575 HB2 PHE 67 1HB PHE 67 16.493 -6.150 10.676 576 HB3 PHE 67 2HB PHE 67 17.201 -7.686 11.187 577 HD1 PHE 67 HD1 PHE 67 18.924 -7.776 12.938 578 HD2 PHE 67 HD2 PHE 67 17.143 -4.055 11.734 579 HE1 PHE 67 HE1 PHE 67 19.841 -6.684 14.978 580 HE2 PHE 67 HE2 PHE 67 18.024 -2.965 13.773 581 HZ PHE 67 HZ PHE 67 19.398 -4.267 15.398 582 H ASN 68 H ASN 68 18.990 -9.133 9.970 583 HA ASN 68 HA ASN 68 21.169 -8.741 11.766 584 HB2 ASN 68 1HB ASN 68 21.232 -10.965 11.921 585 HB3 ASN 68 2HB ASN 68 19.708 -10.906 11.042 586 HD21 ASN 68 2HD2 ASN 68 19.790 -11.316 8.726 587 HD22 ASN 68 1HD2 ASN 68 21.079 -12.309 8.090 588 H THR 69 H THR 69 21.049 -8.822 8.300 589 HA THR 69 HA THR 69 23.814 -9.234 7.803 590 HB THR 69 HB THR 69 21.858 -7.642 6.079 591 HG1 THR 69 HG1 THR 69 20.859 -9.576 6.395 592 HG21 THR 69 1HG2 THR 69 24.265 -9.376 5.380 593 HG22 THR 69 2HG2 THR 69 24.226 -7.599 5.311 594 HG23 THR 69 3HG2 THR 69 23.196 -8.556 4.222 595 H PHE 70 H PHE 70 22.006 -6.141 8.290 596 HA PHE 70 HA PHE 70 24.678 -4.781 8.305 597 HB2 PHE 70 1HB PHE 70 22.163 -4.083 6.856 598 HB3 PHE 70 2HB PHE 70 23.220 -2.785 7.419 599 HD1 PHE 70 HD2 PHE 70 25.608 -2.681 6.695 600 HD2 PHE 70 HD1 PHE 70 22.763 -5.374 4.916 601 HE1 PHE 70 HE2 PHE 70 27.111 -2.957 4.730 602 HE2 PHE 70 HE1 PHE 70 24.261 -5.659 2.942 603 HZ PHE 70 HZ PHE 70 26.446 -4.456 2.851 604 H GLY 71 H GLY 71 22.167 -5.465 10.366 605 HA2 GLY 71 1HA GLY 71 21.917 -4.651 12.514 606 HA3 GLY 71 2HA GLY 71 23.143 -3.428 12.171 607 HA PRO 72 HA PRO 72 18.990 -1.481 12.723 608 HB2 PRO 72 1HB PRO 72 19.722 0.524 14.411 609 HB3 PRO 72 2HB PRO 72 19.454 -1.157 14.973 610 HG2 PRO 72 1HG PRO 72 22.040 0.175 14.214 611 HG3 PRO 72 2HG PRO 72 21.623 -0.697 15.725 612 HD2 PRO 72 1HD PRO 72 22.927 -1.941 13.734 613 HD3 PRO 72 2HD PRO 72 21.634 -2.794 14.652 614 H GLU 73 H GLU 73 21.959 -0.340 11.424 615 HA GLU 73 HA GLU 73 21.047 2.333 10.774 616 HB2 GLU 73 1HB GLU 73 23.334 0.668 9.669 617 HB3 GLU 73 2HB GLU 73 23.090 2.405 9.401 618 HG2 GLU 73 1HG GLU 73 23.239 2.763 11.875 619 HG3 GLU 73 2HG GLU 73 23.600 1.040 12.078 620 H LYS 74 H LYS 74 20.692 -0.833 9.339 621 HA LYS 74 HA LYS 74 19.798 0.415 6.785 622 HB2 LYS 74 1HB LYS 74 21.277 -1.843 7.308 623 HB3 LYS 74 2HB LYS 74 19.680 -2.518 6.990 624 HG2 LYS 74 1HG LYS 74 21.205 -0.635 5.139 625 HG3 LYS 74 2HG LYS 74 21.110 -2.395 4.957 626 HD2 LYS 74 1HD LYS 74 18.631 -2.212 4.736 627 HD3 LYS 74 2HD LYS 74 18.775 -0.446 4.821 628 HE2 LYS 74 1HE LYS 74 20.182 -0.439 2.807 629 HE3 LYS 74 2HE LYS 74 20.060 -2.210 2.709 630 HZ1 LYS 74 3HZ LYS 74 17.699 -2.014 2.386 631 HZ2 LYS 74 1HZ LYS 74 18.442 -1.046 1.279 632 HZ3 LYS 74 2HZ LYS 74 17.727 -0.378 2.610 633 H VAL 75 H VAL 75 18.611 -1.731 9.404 634 HA VAL 75 HA VAL 75 15.841 -1.031 8.486 635 HB VAL 75 HB VAL 75 16.816 -3.692 9.649 636 HG11 VAL 75 1HG1 VAL 75 14.568 -3.179 10.494 637 HG12 VAL 75 2HG1 VAL 75 14.003 -2.822 8.843 638 HG13 VAL 75 3HG1 VAL 75 14.478 -4.477 9.291 639 HG21 VAL 75 3HG2 VAL 75 15.988 -4.608 7.454 640 HG22 VAL 75 1HG2 VAL 75 15.822 -2.939 6.875 641 HG23 VAL 75 2HG2 VAL 75 17.421 -3.580 7.325 642 HA PRO 76 HA PRO 76 16.208 0.387 12.628 643 HB2 PRO 76 1HB PRO 76 13.709 1.304 13.183 644 HB3 PRO 76 2HB PRO 76 14.797 2.150 12.058 645 HG2 PRO 76 1HG PRO 76 12.575 0.246 11.436 646 HG3 PRO 76 2HG PRO 76 12.910 1.852 10.725 647 HD2 PRO 76 1HD PRO 76 13.666 -0.468 9.514 648 HD3 PRO 76 2HD PRO 76 14.652 1.033 9.403 649 H VAL 77 H VAL 77 15.848 -0.400 14.732 650 HA VAL 77 HA VAL 77 14.741 -3.027 14.986 651 HB VAL 77 HB VAL 77 14.980 -2.664 17.451 652 HG11 VAL 77 1HG1 VAL 77 17.382 -1.747 15.821 653 HG12 VAL 77 2HG1 VAL 77 17.422 -2.426 17.463 654 HG13 VAL 77 3HG1 VAL 77 16.890 -3.433 16.102 655 HG21 VAL 77 3HG2 VAL 77 15.910 0.151 16.687 656 HG22 VAL 77 1HG2 VAL 77 14.404 -0.245 17.553 657 HG23 VAL 77 2HG2 VAL 77 15.973 -0.572 18.306 658 H THR 78 H THR 78 13.280 0.126 15.040 659 HA THR 78 HA THR 78 10.979 -0.692 16.590 660 HB THR 78 HB THR 78 11.817 1.723 16.165 661 HG1 THR 78 HG1 THR 78 9.690 2.441 16.507 662 HG21 THR 78 1HG2 THR 78 10.864 2.941 14.383 663 HG22 THR 78 2HG2 THR 78 9.882 1.555 13.869 664 HG23 THR 78 3HG2 THR 78 11.643 1.528 13.649 665 H ALA 79 H ALA 79 11.963 -1.229 13.285 666 HA ALA 79 HA ALA 79 9.366 -1.378 12.103 667 HB1 ALA 79 3HB ALA 79 11.416 -1.461 10.770 668 HB2 ALA 79 1HB ALA 79 11.881 -3.000 11.529 669 HB3 ALA 79 2HB ALA 79 10.446 -2.921 10.479 670 H PHE 80 H PHE 80 11.229 -3.673 14.094 671 HA PHE 80 HA PHE 80 9.377 -5.861 13.790 672 HB2 PHE 80 1HB PHE 80 11.344 -5.231 16.020 673 HB3 PHE 80 2HB PHE 80 10.548 -6.788 15.755 674 HD1 PHE 80 HD2 PHE 80 11.164 -8.215 13.842 675 HD2 PHE 80 HD1 PHE 80 13.212 -4.520 14.640 676 HE1 PHE 80 HE2 PHE 80 12.995 -8.904 12.327 677 HE2 PHE 80 HE1 PHE 80 15.044 -5.187 13.107 678 HZ PHE 80 HZ PHE 80 14.934 -7.384 11.941 679 H SER 81 H SER 81 9.548 -3.060 15.905 680 HA SER 81 HA SER 81 7.642 -4.068 17.861 681 HB2 SER 81 1HB SER 81 9.316 -2.291 18.379 682 HB3 SER 81 2HB SER 81 8.481 -1.202 17.251 683 HG SER 81 HG SER 81 7.822 -0.923 19.443 684 H TYR 82 H TYR 82 7.562 -1.875 15.046 685 HA TYR 82 HA TYR 82 4.759 -1.317 15.120 686 HB2 TYR 82 1HB TYR 82 6.957 -1.222 13.077 687 HB3 TYR 82 2HB TYR 82 5.287 -1.213 12.490 688 HD1 TYR 82 HD1 TYR 82 3.765 0.591 12.988 689 HD2 TYR 82 HD2 TYR 82 7.823 0.713 14.398 690 HE1 TYR 82 HE1 TYR 82 3.526 3.040 13.526 691 HE2 TYR 82 HE2 TYR 82 7.579 3.127 14.926 692 HH TYR 82 HH TYR 82 4.558 4.910 14.369 693 H TRP 83 H TRP 83 6.696 -3.865 13.531 694 HA TRP 83 HA TRP 83 4.569 -5.123 12.194 695 HB2 TRP 83 1HB TRP 83 6.936 -5.637 11.787 696 HB3 TRP 83 2HB TRP 83 7.119 -6.232 13.429 697 HD1 TRP 83 HD1 TRP 83 5.578 -7.296 10.084 698 HE1 TRP 83 HE1 TRP 83 5.090 -9.795 10.108 699 HE3 TRP 83 HE3 TRP 83 6.702 -8.189 14.995 700 HZ2 TRP 83 HZ2 TRP 83 5.143 -11.889 12.016 701 HZ3 TRP 83 HZ3 TRP 83 6.488 -10.515 15.868 702 HH2 TRP 83 HH2 TRP 83 5.706 -12.354 14.374 703 H ASN 84 H ASN 84 5.748 -5.500 15.535 704 HA ASN 84 HA ASN 84 4.149 -7.781 16.199 705 HB2 ASN 84 1HB ASN 84 5.766 -5.763 17.660 706 HB3 ASN 84 2HB ASN 84 4.467 -6.519 18.589 707 HD21 ASN 84 2HD2 ASN 84 7.599 -6.896 17.284 708 HD22 ASN 84 1HD2 ASN 84 7.840 -8.553 17.797 709 H LEU 85 H LEU 85 3.392 -4.350 16.002 710 HA LEU 85 HA LEU 85 1.079 -4.399 17.719 711 HB2 LEU 85 1HB LEU 85 2.413 -2.416 16.831 712 HB3 LEU 85 2HB LEU 85 1.606 -2.638 15.293 713 HG LEU 85 HG LEU 85 0.174 -1.965 17.868 714 HD11 LEU 85 1HD1 LEU 85 0.160 0.354 17.013 715 HD12 LEU 85 2HD1 LEU 85 1.152 -0.153 15.624 716 HD13 LEU 85 3HD1 LEU 85 1.815 -0.234 17.274 717 HD21 LEU 85 3HD2 LEU 85 -1.390 -2.867 16.248 718 HD22 LEU 85 1HD2 LEU 85 -0.708 -1.855 14.954 719 HD23 LEU 85 2HD2 LEU 85 -1.602 -1.110 16.302 720 H ILE 86 H ILE 86 1.603 -4.793 14.205 721 HA ILE 86 HA ILE 86 -1.206 -5.251 13.682 722 HB ILE 86 HB ILE 86 1.214 -5.826 11.961 723 HG12 ILE 86 1HG1 ILE 86 -0.449 -3.619 11.138 724 HG13 ILE 86 2HG1 ILE 86 0.013 -3.375 12.814 725 HG21 ILE 86 1HG2 ILE 86 -1.776 -5.745 11.351 726 HG22 ILE 86 2HG2 ILE 86 -0.505 -5.676 10.098 727 HG23 ILE 86 3HG2 ILE 86 -0.659 -7.110 11.125 728 HD11 ILE 86 3HD1 ILE 86 2.384 -3.813 12.126 729 HD12 ILE 86 1HD1 ILE 86 1.825 -3.757 10.438 730 HD13 ILE 86 2HD1 ILE 86 1.658 -2.326 11.481 731 H LYS 87 H LYS 87 1.586 -7.254 14.441 732 HA LYS 87 HA LYS 87 0.641 -9.788 13.646 733 HB2 LYS 87 1HB LYS 87 2.904 -9.456 14.495 734 HB3 LYS 87 2HB LYS 87 2.274 -8.873 16.026 735 HG2 LYS 87 1HG LYS 87 1.314 -11.169 16.427 736 HG3 LYS 87 2HG LYS 87 2.270 -11.701 15.029 737 HD2 LYS 87 1HD LYS 87 4.105 -11.830 16.337 738 HD3 LYS 87 2HD LYS 87 3.960 -10.110 16.701 739 HE2 LYS 87 1HE LYS 87 2.363 -10.639 18.543 740 HE3 LYS 87 2HE LYS 87 2.595 -12.372 18.222 741 HZ1 LYS 87 3HZ LYS 87 4.750 -10.474 18.995 742 HZ2 LYS 87 1HZ LYS 87 4.939 -12.097 18.763 743 HZ3 LYS 87 2HZ LYS 87 4.026 -11.547 20.022 744 H GLU 88 H GLU 88 0.111 -8.081 16.811 745 HA GLU 88 HA GLU 88 -1.579 -10.260 17.681 746 HB2 GLU 88 1HB GLU 88 -2.128 -8.816 19.585 747 HB3 GLU 88 2HB GLU 88 -0.392 -8.989 19.303 748 HG2 GLU 88 1HG GLU 88 -0.386 -6.776 18.184 749 HG3 GLU 88 2HG GLU 88 -2.091 -6.584 18.616 750 H LEU 89 H LEU 89 -2.204 -7.327 15.833 751 HA LEU 89 HA LEU 89 -5.041 -7.302 16.266 752 HB2 LEU 89 1HB LEU 89 -3.324 -6.294 14.000 753 HB3 LEU 89 2HB LEU 89 -5.073 -6.122 14.014 754 HG LEU 89 HG LEU 89 -3.165 -4.893 16.025 755 HD11 LEU 89 1HD1 LEU 89 -3.067 -3.871 13.785 756 HD12 LEU 89 2HD1 LEU 89 -3.830 -2.774 14.952 757 HD13 LEU 89 3HD1 LEU 89 -4.837 -3.673 13.793 758 HD21 LEU 89 3HD2 LEU 89 -5.203 -3.602 16.745 759 HD22 LEU 89 1HD2 LEU 89 -5.236 -5.326 17.167 760 HD23 LEU 89 2HD2 LEU 89 -6.178 -4.730 15.787 761 H ILE 90 H ILE 90 -3.011 -8.957 13.802 762 HA ILE 90 HA ILE 90 -5.401 -10.093 12.536 763 HB ILE 90 HB ILE 90 -2.511 -11.028 12.226 764 HG12 ILE 90 1HG1 ILE 90 -3.979 -9.178 10.335 765 HG13 ILE 90 2HG1 ILE 90 -2.914 -8.579 11.610 766 HG21 ILE 90 1HG2 ILE 90 -3.309 -12.021 10.092 767 HG22 ILE 90 2HG2 ILE 90 -4.263 -12.652 11.442 768 HG23 ILE 90 3HG2 ILE 90 -4.941 -11.388 10.394 769 HD11 ILE 90 3HD1 ILE 90 -1.013 -9.899 10.643 770 HD12 ILE 90 1HD1 ILE 90 -2.070 -10.420 9.308 771 HD13 ILE 90 2HD1 ILE 90 -1.662 -8.701 9.506 772 H ASP 91 H ASP 91 -2.891 -11.169 14.863 773 HA ASP 91 HA ASP 91 -3.594 -13.921 14.924 774 HB2 ASP 91 1HB ASP 91 -1.559 -12.709 15.931 775 HB3 ASP 91 2HB ASP 91 -2.584 -12.340 17.322 776 H LYS 92 H LYS 92 -4.948 -11.113 16.639 777 HA LYS 92 HA LYS 92 -7.022 -12.951 17.776 778 HB2 LYS 92 1HB LYS 92 -5.977 -10.288 18.779 779 HB3 LYS 92 2HB LYS 92 -7.374 -11.121 19.467 780 HG2 LYS 92 1HG LYS 92 -4.658 -12.451 19.282 781 HG3 LYS 92 2HG LYS 92 -5.131 -11.445 20.658 782 HD2 LYS 92 1HD LYS 92 -6.540 -13.005 21.507 783 HD3 LYS 92 2HD LYS 92 -7.148 -13.497 19.920 784 HE2 LYS 92 1HE LYS 92 -4.343 -14.245 20.759 785 HE3 LYS 92 2HE LYS 92 -5.736 -15.177 21.346 786 HZ1 LYS 92 3HZ LYS 92 -5.122 -14.711 18.482 787 HZ2 LYS 92 1HZ LYS 92 -6.374 -15.619 19.077 788 HZ3 LYS 92 2HZ LYS 92 -4.807 -16.097 19.302 789 H LYS 93 H LYS 93 -7.079 -11.905 15.042 790 HA LYS 93 HA LYS 93 -8.943 -9.735 14.860 791 HB2 LYS 93 1HB LYS 93 -9.301 -10.447 12.600 792 HB3 LYS 93 2HB LYS 93 -7.596 -10.671 12.977 793 HG2 LYS 93 1HG LYS 93 -8.217 -13.144 13.473 794 HG3 LYS 93 2HG LYS 93 -9.740 -12.801 12.641 795 HD2 LYS 93 1HD LYS 93 -6.974 -12.357 11.444 796 HD3 LYS 93 2HD LYS 93 -7.920 -13.828 11.201 797 HE2 LYS 93 1HE LYS 93 -8.945 -11.074 10.456 798 HE3 LYS 93 2HE LYS 93 -7.993 -12.076 9.351 799 HZ1 LYS 93 3HZ LYS 93 -10.344 -12.373 8.957 800 HZ2 LYS 93 1HZ LYS 93 -10.606 -12.853 10.514 801 HZ3 LYS 93 2HZ LYS 93 -9.697 -13.786 9.501 802 H GLU 94 H GLU 94 -9.232 -13.030 15.782 803 HA GLU 94 HA GLU 94 -11.952 -13.587 15.281 804 HB2 GLU 94 1HB GLU 94 -11.599 -15.331 17.032 805 HB3 GLU 94 2HB GLU 94 -10.331 -15.284 15.800 806 HG2 GLU 94 1HG GLU 94 -8.914 -13.927 17.398 807 HG3 GLU 94 2HG GLU 94 -10.135 -14.202 18.636 808 H VAL 95 H VAL 95 -10.496 -11.701 17.925 809 HA VAL 95 HA VAL 95 -13.253 -11.418 19.076 810 HB VAL 95 HB VAL 95 -12.121 -10.855 21.249 811 HG11 VAL 95 1HG1 VAL 95 -11.477 -13.625 20.160 812 HG12 VAL 95 2HG1 VAL 95 -11.615 -13.170 21.871 813 HG13 VAL 95 3HG1 VAL 95 -13.041 -13.105 20.816 814 HG21 VAL 95 3HG2 VAL 95 -9.890 -10.233 20.311 815 HG22 VAL 95 1HG2 VAL 95 -9.773 -11.444 21.599 816 HG23 VAL 95 2HG2 VAL 95 -9.603 -11.943 19.904 817 H ASN 96 H ASN 96 -11.283 -9.923 17.056 818 HA ASN 96 HA ASN 96 -12.067 -7.211 18.080 819 HB2 ASN 96 1HB ASN 96 -9.504 -8.094 16.708 820 HB3 ASN 96 2HB ASN 96 -10.040 -6.409 16.750 821 HD21 ASN 96 2HD2 ASN 96 -8.551 -8.958 18.493 822 HD22 ASN 96 1HD2 ASN 96 -8.252 -8.037 19.954 823 HA PRO 97 HA PRO 97 -13.803 -8.403 13.992 824 HB2 PRO 97 1HB PRO 97 -16.304 -7.306 14.214 825 HB3 PRO 97 2HB PRO 97 -15.872 -8.908 14.895 826 HG2 PRO 97 1HG PRO 97 -15.932 -6.233 16.285 827 HG3 PRO 97 2HG PRO 97 -16.711 -7.775 16.773 828 HD2 PRO 97 1HD PRO 97 -14.347 -7.043 17.819 829 HD3 PRO 97 2HD PRO 97 -14.650 -8.757 17.365 830 H GLN 98 H GLN 98 -13.660 -5.247 15.571 831 HA GLN 98 HA GLN 98 -14.383 -3.687 13.290 832 HB2 GLN 98 1HB GLN 98 -14.081 -3.027 15.800 833 HB3 GLN 98 2HB GLN 98 -12.378 -2.777 15.370 834 HG2 GLN 98 1HG GLN 98 -12.930 -1.034 13.849 835 HG3 GLN 98 2HG GLN 98 -14.647 -1.475 13.852 836 HE21 GLN 98 2HE2 GLN 98 -15.790 0.057 14.804 837 HE22 GLN 98 1HE2 GLN 98 -15.372 0.830 16.314 838 H VAL 99 H VAL 99 -11.302 -5.019 14.498 839 HA VAL 99 HA VAL 99 -9.882 -3.759 12.287 840 HB VAL 99 HB VAL 99 -7.883 -4.326 13.295 841 HG11 VAL 99 1HG1 VAL 99 -9.393 -2.931 14.812 842 HG12 VAL 99 2HG1 VAL 99 -9.709 -4.413 15.744 843 HG13 VAL 99 3HG1 VAL 99 -8.066 -3.764 15.632 844 HG21 VAL 99 3HG2 VAL 99 -7.621 -6.208 14.970 845 HG22 VAL 99 1HG2 VAL 99 -9.263 -6.721 14.556 846 HG23 VAL 99 2HG2 VAL 99 -7.992 -6.723 13.318 847 H MET 100 H MET 100 -11.368 -6.847 13.034 848 HA MET 100 HA MET 100 -10.059 -8.432 11.071 849 HB2 MET 100 1HB MET 100 -11.724 -9.130 12.907 850 HB3 MET 100 2HB MET 100 -12.997 -8.646 11.782 851 HG2 MET 100 1HG MET 100 -11.205 -10.300 10.340 852 HG3 MET 100 2HG MET 100 -11.476 -11.078 11.905 853 HE1 MET 100 3HE MET 100 -12.744 -10.294 8.407 854 HE2 MET 100 1HE MET 100 -14.503 -10.569 8.465 855 HE3 MET 100 2HE MET 100 -13.813 -9.089 9.164 856 H ALA 101 H ALA 101 -12.828 -6.190 10.877 857 HA ALA 101 HA ALA 101 -13.499 -6.751 8.156 858 HB1 ALA 101 3HB ALA 101 -13.770 -4.178 9.760 859 HB2 ALA 101 1HB ALA 101 -14.610 -4.542 8.234 860 HB3 ALA 101 2HB ALA 101 -14.964 -5.497 9.694 861 H ALA 102 H ALA 102 -10.979 -4.751 9.646 862 HA ALA 102 HA ALA 102 -10.302 -3.385 7.175 863 HB1 ALA 102 3HB ALA 102 -8.745 -3.669 9.788 864 HB2 ALA 102 1HB ALA 102 -8.369 -2.547 8.469 865 HB3 ALA 102 2HB ALA 102 -9.874 -2.353 9.393 866 H VAL 103 H VAL 103 -9.299 -6.347 8.892 867 HA VAL 103 HA VAL 103 -6.965 -6.882 7.313 868 HB VAL 103 HB VAL 103 -8.921 -8.868 8.595 869 HG11 VAL 103 1HG1 VAL 103 -7.721 -10.081 6.935 870 HG12 VAL 103 2HG1 VAL 103 -6.200 -9.259 7.335 871 HG13 VAL 103 3HG1 VAL 103 -6.898 -10.424 8.471 872 HG21 VAL 103 3HG2 VAL 103 -7.230 -9.034 10.393 873 HG22 VAL 103 1HG2 VAL 103 -6.257 -7.780 9.591 874 HG23 VAL 103 2HG2 VAL 103 -7.859 -7.389 10.246 875 H ALA 104 H ALA 104 -10.396 -7.861 6.938 876 HA ALA 104 HA ALA 104 -10.005 -9.269 4.496 877 HB1 ALA 104 3HB ALA 104 -12.030 -9.498 5.892 878 HB2 ALA 104 1HB ALA 104 -12.485 -7.813 5.533 879 HB3 ALA 104 2HB ALA 104 -12.458 -9.026 4.230 880 H GLN 105 H GLN 105 -10.885 -5.841 5.134 881 HA GLN 105 HA GLN 105 -11.166 -5.124 2.393 882 HB2 GLN 105 1HB GLN 105 -10.568 -3.608 4.929 883 HB3 GLN 105 2HB GLN 105 -10.456 -2.802 3.351 884 HG2 GLN 105 1HG GLN 105 -12.787 -3.517 2.854 885 HG3 GLN 105 2HG GLN 105 -12.904 -4.169 4.494 886 HE21 GLN 105 2HE2 GLN 105 -13.939 -2.861 5.826 887 HE22 GLN 105 1HE2 GLN 105 -13.895 -1.112 5.780 888 H THR 106 H THR 106 -8.227 -5.316 4.472 889 HA THR 106 HA THR 106 -6.611 -3.937 2.523 890 HB THR 106 HB THR 106 -5.651 -5.959 4.589 891 HG1 THR 106 HG1 THR 106 -6.889 -4.303 5.559 892 HG21 THR 106 1HG2 THR 106 -3.593 -4.560 4.525 893 HG22 THR 106 2HG2 THR 106 -4.317 -3.568 3.243 894 HG23 THR 106 3HG2 THR 106 -3.933 -5.277 2.936 895 H GLU 107 H GLU 107 -7.563 -7.369 3.009 896 HA GLU 107 HA GLU 107 -5.825 -8.430 0.984 897 HB2 GLU 107 1HB GLU 107 -8.555 -9.379 1.938 898 HB3 GLU 107 2HB GLU 107 -7.517 -10.281 0.830 899 HG2 GLU 107 1HG GLU 107 -5.758 -10.342 2.532 900 HG3 GLU 107 2HG GLU 107 -6.813 -9.485 3.658 901 H GLU 108 H GLU 108 -9.159 -7.077 0.818 902 HA GLU 108 HA GLU 108 -9.557 -7.614 -1.962 903 HB2 GLU 108 1HB GLU 108 -10.612 -5.369 -0.203 904 HB3 GLU 108 2HB GLU 108 -11.196 -5.709 -1.832 905 HG2 GLU 108 1HG GLU 108 -11.982 -7.913 -1.129 906 HG3 GLU 108 2HG GLU 108 -11.343 -7.645 0.497 907 H ILE 109 H ILE 109 -8.177 -4.781 -0.280 908 HA ILE 109 HA ILE 109 -7.808 -3.206 -2.655 909 HB ILE 109 HB ILE 109 -6.435 -3.106 0.077 910 HG12 ILE 109 1HG1 ILE 109 -8.508 -1.187 -1.043 911 HG13 ILE 109 2HG1 ILE 109 -9.002 -2.685 -0.267 912 HG21 ILE 109 1HG2 ILE 109 -4.969 -1.974 -1.551 913 HG22 ILE 109 2HG2 ILE 109 -6.349 -1.075 -2.223 914 HG23 ILE 109 3HG2 ILE 109 -5.785 -0.747 -0.568 915 HD11 ILE 109 3HD1 ILE 109 -9.143 -1.086 1.442 916 HD12 ILE 109 1HD1 ILE 109 -7.617 -1.926 1.771 917 HD13 ILE 109 2HD1 ILE 109 -7.599 -0.323 0.992 918 H LEU 110 H LEU 110 -5.748 -5.625 -1.005 919 HA LEU 110 HA LEU 110 -3.436 -5.107 -2.641 920 HB2 LEU 110 1HB LEU 110 -4.321 -7.145 -0.690 921 HB3 LEU 110 2HB LEU 110 -3.184 -7.727 -1.903 922 HG LEU 110 HG LEU 110 -1.521 -6.143 -1.260 923 HD11 LEU 110 1HD1 LEU 110 -1.810 -4.545 0.629 924 HD12 LEU 110 2HD1 LEU 110 -3.547 -4.888 0.619 925 HD13 LEU 110 3HD1 LEU 110 -2.779 -4.125 -0.787 926 HD21 LEU 110 3HD2 LEU 110 -1.647 -8.145 0.127 927 HD22 LEU 110 1HD2 LEU 110 -2.825 -7.361 1.201 928 HD23 LEU 110 2HD2 LEU 110 -1.150 -6.765 1.119 929 H LYS 111 H LYS 111 -6.220 -7.364 -3.060 930 HA LYS 111 HA LYS 111 -5.159 -8.513 -5.485 931 HB2 LYS 111 1HB LYS 111 -8.046 -8.168 -4.577 932 HB3 LYS 111 2HB LYS 111 -7.503 -9.229 -5.881 933 HG2 LYS 111 1HG LYS 111 -6.681 -9.513 -2.976 934 HG3 LYS 111 2HG LYS 111 -7.979 -10.428 -3.743 935 HD2 LYS 111 1HD LYS 111 -6.444 -11.549 -5.175 936 HD3 LYS 111 2HD LYS 111 -5.139 -10.418 -4.764 937 HE2 LYS 111 1HE LYS 111 -4.940 -12.654 -3.645 938 HE3 LYS 111 2HE LYS 111 -4.917 -11.245 -2.588 939 HZ1 LYS 111 3HZ LYS 111 -7.210 -11.661 -2.020 940 HZ2 LYS 111 1HZ LYS 111 -6.257 -12.948 -1.639 941 HZ3 LYS 111 2HZ LYS 111 -7.238 -13.013 -2.969 942 H SER 112 H SER 112 -6.764 -5.499 -4.784 943 HA SER 112 HA SER 112 -7.478 -4.972 -7.577 944 HB2 SER 112 1HB SER 112 -8.655 -4.136 -5.471 945 HB3 SER 112 2HB SER 112 -7.319 -2.996 -5.285 946 HG SER 112 HG SER 112 -7.818 -2.387 -7.539 947 H ASN 113 H ASN 113 -4.645 -4.798 -5.750 948 HA ASN 113 HA ASN 113 -3.612 -2.280 -6.591 949 HB2 ASN 113 1HB ASN 113 -2.920 -4.059 -4.711 950 HB3 ASN 113 2HB ASN 113 -1.721 -4.501 -5.933 951 HD21 ASN 113 2HD2 ASN 113 -3.167 -1.629 -4.410 952 HD22 ASN 113 1HD2 ASN 113 -1.661 -0.747 -4.236 953 H SER 114 H SER 114 -2.486 -1.589 -8.308 954 HA SER 114 HA SER 114 -2.451 -3.163 -10.673 955 HB2 SER 114 1HB SER 114 -1.047 -0.534 -10.075 956 HB3 SER 114 2HB SER 114 -1.412 -1.198 -11.683 957 HG SER 114 HG SER 114 -2.978 0.329 -11.019 958 H GLN 115 H GLN 115 -0.968 -4.319 -11.584 959 HA GLN 115 HA GLN 115 1.648 -4.701 -10.275 960 HB2 GLN 115 1HB GLN 115 0.339 -6.091 -12.646 961 HB3 GLN 115 2HB GLN 115 1.874 -6.567 -11.898 962 HG2 GLN 115 1HG GLN 115 0.692 -7.029 -9.774 963 HG3 GLN 115 2HG GLN 115 -0.840 -6.549 -10.515 964 HE21 GLN 115 2HE2 GLN 115 -0.874 -8.939 -9.442 965 HE22 GLN 115 1HE2 GLN 115 -0.784 -10.195 -10.653 966 H THR 116 H THR 116 2.447 -2.518 -10.819 967 HA THR 116 HA THR 116 3.865 -2.535 -13.385 968 HB THR 116 HB THR 116 1.673 -1.503 -14.047 969 HG1 THR 116 HG1 THR 116 3.671 0.513 -13.873 970 HG21 THR 116 1HG2 THR 116 1.075 -0.521 -11.827 971 HG22 THR 116 2HG2 THR 116 0.981 0.653 -13.156 972 HG23 THR 116 3HG2 THR 116 2.365 0.686 -12.042 973 H ASP 117 H ASP 117 5.550 -0.902 -13.449 974 HA ASP 117 HA ASP 117 6.322 0.015 -10.723 975 HB2 ASP 117 1HB ASP 117 7.908 -0.361 -13.304 976 HB3 ASP 117 2HB ASP 117 8.589 0.266 -11.790 977 H LEU 118 H LEU 118 8.223 1.783 -12.418 978 HA LEU 118 HA LEU 118 6.662 4.204 -12.344 979 HB2 LEU 118 1HB LEU 118 8.681 5.213 -13.342 980 HB3 LEU 118 2HB LEU 118 9.060 4.209 -11.946 981 HG LEU 118 HG LEU 118 9.316 2.422 -14.081 982 HD11 LEU 118 1HD1 LEU 118 9.182 4.285 -15.704 983 HD12 LEU 118 2HD1 LEU 118 10.806 3.575 -15.687 984 HD13 LEU 118 3HD1 LEU 118 10.514 5.128 -14.869 985 HD21 LEU 118 3HD2 LEU 118 10.779 2.592 -12.108 986 HD22 LEU 118 1HD2 LEU 118 11.461 4.119 -12.720 987 HD23 LEU 118 2HD2 LEU 118 11.731 2.596 -13.604 988 H GLU 119 H GLU 119 5.929 5.464 -14.031 989 HA GLU 119 HA GLU 119 6.130 4.451 -16.803 990 HB2 GLU 119 1HB GLU 119 4.068 3.436 -16.199 991 HB3 GLU 119 2HB GLU 119 3.580 4.811 -15.213 992 HG2 GLU 119 1HG GLU 119 2.204 4.747 -17.179 993 HG3 GLU 119 2HG GLU 119 3.240 6.166 -17.246 994 H HIS 120 H HIS 120 5.975 6.159 -18.283 995 HA HIS 120 HA HIS 120 6.590 8.285 -18.958 996 HB2 HIS 120 1HB HIS 120 4.489 9.181 -16.957 997 HB3 HIS 120 2HB HIS 120 5.049 10.069 -18.379 998 HD1 HIS 120 HD1 HIS 120 4.931 7.460 -20.351 999 HD2 HIS 120 HD2 HIS 120 1.867 8.869 -17.860 1000 HE1 HIS 120 HE1 HIS 120 2.747 6.572 -21.292 1001 H HIS 121 H HIS 121 8.289 7.291 -16.948 1002 HA HIS 121 HA HIS 121 9.989 7.917 -15.579 1003 HB2 HIS 121 1HB HIS 121 9.972 9.718 -17.558 1004 HB3 HIS 121 2HB HIS 121 9.665 10.830 -16.219 1005 HD1 HIS 121 HD1 HIS 121 12.115 11.796 -17.003 1006 HD2 HIS 121 HD2 HIS 121 12.094 8.006 -15.200 1007 HE1 HIS 121 HE1 HIS 121 14.516 11.291 -16.302 1008 H HIS 122 H HIS 122 7.062 8.254 -14.574 1009 HA HIS 122 HA HIS 122 7.160 10.229 -12.448 1010 HB2 HIS 122 1HB HIS 122 5.035 9.365 -13.284 1011 HB3 HIS 122 2HB HIS 122 5.528 7.704 -12.948 1012 HD1 HIS 122 HD1 HIS 122 5.365 6.791 -10.529 1013 HD2 HIS 122 HD2 HIS 122 4.049 10.753 -11.003 1014 HE1 HIS 122 HE1 HIS 122 4.047 7.396 -8.427 1015 H HIS 123 H HIS 123 8.705 10.121 -10.888 1016 HA HIS 123 HA HIS 123 9.199 7.467 -9.607 1017 HB2 HIS 123 1HB HIS 123 11.587 7.812 -9.638 1018 HB3 HIS 123 2HB HIS 123 10.971 7.886 -11.292 1019 HD1 HIS 123 HD1 HIS 123 10.878 10.349 -12.433 1020 HD2 HIS 123 HD2 HIS 123 12.900 10.083 -8.758 1021 HE1 HIS 123 HE1 HIS 123 12.267 12.482 -12.178 1022 H HIS 124 H HIS 124 7.552 9.612 -8.688 1023 HA HIS 124 HA HIS 124 7.138 10.923 -6.841 1024 HB2 HIS 124 1HB HIS 124 8.366 8.721 -5.817 1025 HB3 HIS 124 2HB HIS 124 9.530 9.944 -5.315 1026 HD1 HIS 124 HD1 HIS 124 6.115 8.572 -4.581 1027 HD2 HIS 124 HD2 HIS 124 8.460 11.847 -3.401 1028 HE1 HIS 124 HE1 HIS 124 5.016 9.570 -2.510 1029 H HIS 125 H HIS 125 9.192 12.068 -5.031 1030 HA HIS 125 HA HIS 125 11.095 13.527 -6.662 1031 HB2 HIS 125 1HB HIS 125 8.461 14.641 -6.287 1032 HB3 HIS 125 2HB HIS 125 9.559 15.476 -5.181 1033 HD1 HIS 125 HD1 HIS 125 11.902 16.369 -6.440 1034 HD2 HIS 125 HD2 HIS 125 8.490 15.733 -8.795 1035 HE1 HIS 125 HE1 HIS 125 12.229 17.694 -8.609 Start of MODEL 8 1 H21 MYR 1 1H2 MYR 1 0.801 0.128 -0.931 2 H22 MYR 1 2H2 MYR 1 2.172 -0.157 0.129 3 H31 MYR 1 1H3 MYR 1 -0.408 -1.850 0.230 4 H32 MYR 1 2H3 MYR 1 0.955 -2.264 -0.805 5 H41 MYR 1 1H4 MYR 1 2.443 -2.270 1.289 6 H42 MYR 1 2H4 MYR 1 1.005 -2.051 2.256 7 H51 MYR 1 1H5 MYR 1 0.908 -4.369 0.321 8 H52 MYR 1 2H5 MYR 1 2.125 -4.514 1.572 9 H61 MYR 1 1H6 MYR 1 -0.789 -3.832 2.249 10 H62 MYR 1 2H6 MYR 1 -0.258 -5.495 2.039 11 H71 MYR 1 1H7 MYR 1 1.277 -5.388 3.911 12 H72 MYR 1 2H7 MYR 1 1.148 -3.632 4.025 13 H81 MYR 1 1H8 MYR 1 -1.204 -3.776 4.721 14 H82 MYR 1 2H8 MYR 1 -1.205 -5.529 4.516 15 H91 MYR 1 1H9 MYR 1 0.685 -4.098 6.466 16 H92 MYR 1 2H9 MYR 1 0.376 -5.829 6.376 17 H101 MYR 1 1H10 MYR 1 -1.832 -3.807 6.986 18 H102 MYR 1 2H10 MYR 1 -0.804 -4.432 8.260 19 H111 MYR 1 1H11 MYR 1 -2.136 -6.506 6.516 20 H112 MYR 1 2H11 MYR 1 -1.784 -6.567 8.229 21 H121 MYR 1 1H12 MYR 1 -3.977 -4.794 6.981 22 H122 MYR 1 2H12 MYR 1 -4.281 -6.414 7.580 23 H131 MYR 1 1H13 MYR 1 -3.730 -5.778 9.888 24 H132 MYR 1 2H13 MYR 1 -3.155 -4.192 9.378 25 H141 MYR 1 1H14 MYR 1 -5.495 -3.643 8.553 26 H142 MYR 1 2H14 MYR 1 -6.050 -5.186 9.226 27 H143 MYR 1 3H14 MYR 1 -5.405 -3.929 10.294 28 H GLY 2 H GLY 2 2.120 0.631 2.159 29 HA2 GLY 2 1HA GLY 2 -0.144 1.149 3.778 30 HA3 GLY 2 2HA GLY 2 1.474 1.817 4.016 31 H GLN 3 H GLN 3 1.745 3.352 1.655 32 HA GLN 3 HA GLN 3 0.183 5.660 2.456 33 HB2 GLN 3 1HB GLN 3 1.272 6.812 0.625 34 HB3 GLN 3 2HB GLN 3 2.440 5.827 1.505 35 HG2 GLN 3 1HG GLN 3 2.046 4.059 -0.351 36 HG3 GLN 3 2HG GLN 3 1.333 5.395 -1.266 37 HE21 GLN 3 2HE2 GLN 3 4.167 3.767 -0.429 38 HE22 GLN 3 1HE2 GLN 3 5.304 4.958 -1.009 39 H GLU 4 H GLU 4 -0.063 3.242 -0.105 40 HA GLU 4 HA GLU 4 -2.201 4.399 -1.586 41 HB2 GLU 4 1HB GLU 4 -1.266 2.713 -2.779 42 HB3 GLU 4 2HB GLU 4 -0.731 1.869 -1.347 43 HG2 GLU 4 1HG GLU 4 -2.119 0.330 -2.358 44 HG3 GLU 4 2HG GLU 4 -3.164 1.019 -1.115 45 H LEU 5 H LEU 5 -2.113 2.300 1.292 46 HA LEU 5 HA LEU 5 -4.963 1.941 1.430 47 HB2 LEU 5 1HB LEU 5 -2.719 1.700 3.442 48 HB3 LEU 5 2HB LEU 5 -4.391 1.382 3.862 49 HG LEU 5 HG LEU 5 -2.942 -0.079 1.642 50 HD11 LEU 5 1HD1 LEU 5 -3.397 -0.995 4.505 51 HD12 LEU 5 2HD1 LEU 5 -1.842 -0.422 3.846 52 HD13 LEU 5 3HD1 LEU 5 -2.584 -1.896 3.205 53 HD21 LEU 5 3HD2 LEU 5 -5.427 -0.121 1.519 54 HD22 LEU 5 1HD2 LEU 5 -5.478 -0.810 3.158 55 HD23 LEU 5 2HD2 LEU 5 -4.730 -1.714 1.822 56 H SER 6 H SER 6 -2.742 4.345 2.978 57 HA SER 6 HA SER 6 -4.921 5.678 4.328 58 HB2 SER 6 1HB SER 6 -3.320 7.529 4.635 59 HB3 SER 6 2HB SER 6 -2.661 5.963 5.116 60 HG SER 6 HG SER 6 -2.123 6.494 2.499 61 H GLN 7 H GLN 7 -4.120 5.600 1.001 62 HA GLN 7 HA GLN 7 -5.224 8.312 0.488 63 HB2 GLN 7 1HB GLN 7 -3.871 6.183 -1.178 64 HB3 GLN 7 2HB GLN 7 -4.795 7.477 -1.954 65 HG2 GLN 7 1HG GLN 7 -3.300 9.126 -1.341 66 HG3 GLN 7 2HG GLN 7 -2.764 8.263 0.104 67 HE21 GLN 7 2HE2 GLN 7 -2.841 7.244 -3.345 68 HE22 GLN 7 1HE2 GLN 7 -1.117 6.940 -3.428 69 H HIS 8 H HIS 8 -6.062 4.937 0.534 70 HA HIS 8 HA HIS 8 -8.575 5.344 -0.938 71 HB2 HIS 8 1HB HIS 8 -7.125 3.049 0.332 72 HB3 HIS 8 2HB HIS 8 -8.865 2.925 0.122 73 HD1 HIS 8 HD1 HIS 8 -5.631 3.144 -1.872 74 HD2 HIS 8 HD2 HIS 8 -9.750 2.675 -2.554 75 HE1 HIS 8 HE1 HIS 8 -5.912 2.481 -4.304 76 H GLU 9 H GLU 9 -9.599 6.934 0.240 77 HA GLU 9 HA GLU 9 -9.833 7.247 2.945 78 HB2 GLU 9 1HB GLU 9 -12.055 8.343 2.443 79 HB3 GLU 9 2HB GLU 9 -10.653 8.925 1.537 80 HG2 GLU 9 1HG GLU 9 -11.336 7.718 -0.448 81 HG3 GLU 9 2HG GLU 9 -12.632 6.899 0.438 82 H ARG 10 H ARG 10 -11.935 4.973 1.112 83 HA ARG 10 HA ARG 10 -13.746 4.577 3.301 84 HB2 ARG 10 1HB ARG 10 -13.062 2.705 1.009 85 HB3 ARG 10 2HB ARG 10 -14.462 2.573 2.085 86 HG2 ARG 10 1HG ARG 10 -15.164 4.889 1.303 87 HG3 ARG 10 2HG ARG 10 -13.874 4.792 0.088 88 HD2 ARG 10 1HD ARG 10 -15.883 4.111 -0.990 89 HD3 ARG 10 2HD ARG 10 -14.926 2.640 -0.718 90 HE ARG 10 HE ARG 10 -16.713 3.114 1.483 91 HH11 ARG 10 1HH1 ARG 10 -16.764 1.954 -1.856 92 HH12 ARG 10 2HH1 ARG 10 -18.187 0.983 -1.594 93 HH21 ARG 10 1HH2 ARG 10 -18.534 1.872 1.731 94 HH22 ARG 10 2HH2 ARG 10 -19.170 0.939 0.404 95 H TYR 11 H TYR 11 -10.595 3.166 2.596 96 HA TYR 11 HA TYR 11 -10.871 1.026 4.579 97 HB2 TYR 11 1HB TYR 11 -9.297 0.791 2.751 98 HB3 TYR 11 2HB TYR 11 -8.480 2.287 3.192 99 HD1 TYR 11 HD2 TYR 11 -9.378 -1.050 4.685 100 HD2 TYR 11 HD1 TYR 11 -6.570 2.193 4.533 101 HE1 TYR 11 HE2 TYR 11 -7.835 -2.305 6.166 102 HE2 TYR 11 HE1 TYR 11 -5.024 0.910 6.010 103 HH TYR 11 HH TYR 11 -4.641 -1.032 7.107 104 H VAL 12 H VAL 12 -9.583 4.314 4.350 105 HA VAL 12 HA VAL 12 -8.353 4.452 6.901 106 HB VAL 12 HB VAL 12 -9.714 6.688 5.312 107 HG11 VAL 12 1HG1 VAL 12 -7.597 6.930 7.470 108 HG12 VAL 12 2HG1 VAL 12 -8.360 8.253 6.571 109 HG13 VAL 12 3HG1 VAL 12 -9.313 7.284 7.707 110 HG21 VAL 12 3HG2 VAL 12 -7.431 7.198 4.513 111 HG22 VAL 12 1HG2 VAL 12 -6.814 5.781 5.395 112 HG23 VAL 12 2HG2 VAL 12 -7.928 5.570 4.033 113 H GLU 13 H GLU 13 -11.784 4.798 5.883 114 HA GLU 13 HA GLU 13 -12.790 5.800 8.318 115 HB2 GLU 13 1HB GLU 13 -14.066 3.895 6.354 116 HB3 GLU 13 2HB GLU 13 -14.918 4.655 7.700 117 HG2 GLU 13 1HG GLU 13 -14.320 6.877 6.800 118 HG3 GLU 13 2HG GLU 13 -13.589 6.092 5.400 119 H GLN 14 H GLN 14 -12.309 2.335 7.446 120 HA GLN 14 HA GLN 14 -13.252 1.474 10.059 121 HB2 GLN 14 1HB GLN 14 -11.602 0.049 7.940 122 HB3 GLN 14 2HB GLN 14 -12.239 -0.714 9.402 123 HG2 GLN 14 1HG GLN 14 -13.893 0.527 7.174 124 HG3 GLN 14 2HG GLN 14 -13.656 -1.201 7.473 125 HE21 GLN 14 2HE2 GLN 14 -14.719 -2.201 9.191 126 HE22 GLN 14 1HE2 GLN 14 -16.031 -1.423 10.043 127 H LEU 15 H LEU 15 -10.062 2.133 8.589 128 HA LEU 15 HA LEU 15 -8.631 1.135 10.850 129 HB2 LEU 15 1HB LEU 15 -7.861 1.681 8.402 130 HB3 LEU 15 2HB LEU 15 -7.494 3.269 9.081 131 HG LEU 15 HG LEU 15 -6.118 2.077 10.845 132 HD11 LEU 15 1HD1 LEU 15 -6.604 -0.311 9.029 133 HD12 LEU 15 2HD1 LEU 15 -7.005 -0.171 10.754 134 HD13 LEU 15 3HD1 LEU 15 -5.309 -0.231 10.246 135 HD21 LEU 15 3HD2 LEU 15 -4.206 1.633 9.312 136 HD22 LEU 15 1HD2 LEU 15 -5.028 3.174 9.010 137 HD23 LEU 15 2HD2 LEU 15 -5.328 1.791 7.944 138 H LYS 16 H LYS 16 -10.226 4.224 10.328 139 HA LYS 16 HA LYS 16 -8.872 5.825 12.289 140 HB2 LYS 16 1HB LYS 16 -11.806 5.650 11.503 141 HB3 LYS 16 2HB LYS 16 -11.233 6.793 12.706 142 HG2 LYS 16 1HG LYS 16 -10.077 8.098 11.114 143 HG3 LYS 16 2HG LYS 16 -10.101 6.808 9.914 144 HD2 LYS 16 1HD LYS 16 -12.690 6.981 10.027 145 HD3 LYS 16 2HD LYS 16 -12.425 8.530 10.839 146 HE2 LYS 16 1HE LYS 16 -11.199 9.372 8.873 147 HE3 LYS 16 2HE LYS 16 -11.315 7.781 8.097 148 HZ1 LYS 16 3HZ LYS 16 -13.724 8.044 8.009 149 HZ2 LYS 16 1HZ LYS 16 -12.990 9.295 7.231 150 HZ3 LYS 16 2HZ LYS 16 -13.636 9.524 8.730 151 H GLN 17 H GLN 17 -11.468 3.416 12.496 152 HA GLN 17 HA GLN 17 -11.876 3.740 15.320 153 HB2 GLN 17 1HB GLN 17 -12.475 1.320 13.578 154 HB3 GLN 17 2HB GLN 17 -13.184 1.687 15.149 155 HG2 GLN 17 1HG GLN 17 -14.261 3.695 14.179 156 HG3 GLN 17 2HG GLN 17 -13.551 3.307 12.602 157 HE21 GLN 17 2HE2 GLN 17 -15.030 2.502 11.276 158 HE22 GLN 17 1HE2 GLN 17 -16.264 1.355 11.727 159 H ALA 18 H ALA 18 -10.026 1.384 13.323 160 HA ALA 18 HA ALA 18 -9.245 -0.183 15.556 161 HB1 ALA 18 3HB ALA 18 -7.868 0.159 12.872 162 HB2 ALA 18 1HB ALA 18 -7.590 -1.164 14.031 163 HB3 ALA 18 2HB ALA 18 -9.185 -0.985 13.255 164 H LEU 19 H LEU 19 -7.508 2.609 14.015 165 HA LEU 19 HA LEU 19 -5.171 2.378 15.682 166 HB2 LEU 19 1HB LEU 19 -6.363 4.470 13.935 167 HB3 LEU 19 2HB LEU 19 -5.464 5.097 15.309 168 HG LEU 19 HG LEU 19 -3.580 3.448 14.472 169 HD11 LEU 19 1HD1 LEU 19 -5.176 3.980 11.943 170 HD12 LEU 19 2HD1 LEU 19 -4.779 2.400 12.656 171 HD13 LEU 19 3HD1 LEU 19 -3.488 3.415 11.965 172 HD21 LEU 19 3HD2 LEU 19 -3.246 5.847 14.627 173 HD22 LEU 19 1HD2 LEU 19 -4.209 6.114 13.160 174 HD23 LEU 19 2HD2 LEU 19 -2.637 5.285 13.046 175 H LYS 20 H LYS 20 -8.307 4.031 16.105 176 HA LYS 20 HA LYS 20 -7.563 5.333 18.568 177 HB2 LYS 20 1HB LYS 20 -9.401 6.052 17.028 178 HB3 LYS 20 2HB LYS 20 -10.322 4.619 17.494 179 HG2 LYS 20 1HG LYS 20 -10.338 5.446 19.855 180 HG3 LYS 20 2HG LYS 20 -9.522 6.925 19.305 181 HD2 LYS 20 1HD LYS 20 -11.425 7.389 17.784 182 HD3 LYS 20 2HD LYS 20 -12.227 5.905 18.347 183 HE2 LYS 20 1HE LYS 20 -12.219 6.817 20.672 184 HE3 LYS 20 2HE LYS 20 -11.509 8.323 20.057 185 HZ1 LYS 20 3HZ LYS 20 -14.153 7.222 19.267 186 HZ2 LYS 20 1HZ LYS 20 -13.498 8.623 18.692 187 HZ3 LYS 20 2HZ LYS 20 -13.911 8.498 20.284 188 H THR 21 H THR 21 -9.321 2.271 17.910 189 HA THR 21 HA THR 21 -10.110 1.861 20.634 190 HB THR 21 HB THR 21 -10.338 -0.585 19.909 191 HG1 THR 21 HG1 THR 21 -9.794 0.455 17.325 192 HG21 THR 21 1HG2 THR 21 -12.303 0.720 19.699 193 HG22 THR 21 2HG2 THR 21 -12.076 -0.052 18.112 194 HG23 THR 21 3HG2 THR 21 -11.646 1.651 18.334 195 H ARG 22 H ARG 22 -7.088 1.147 18.942 196 HA ARG 22 HA ARG 22 -6.158 -0.683 20.977 197 HB2 ARG 22 1HB ARG 22 -5.268 -0.540 18.634 198 HB3 ARG 22 2HB ARG 22 -4.529 1.008 19.040 199 HG2 ARG 22 1HG ARG 22 -2.836 -0.728 19.158 200 HG3 ARG 22 2HG ARG 22 -3.157 -0.159 20.798 201 HD2 ARG 22 1HD ARG 22 -4.740 -2.086 21.101 202 HD3 ARG 22 2HD ARG 22 -4.261 -2.678 19.508 203 HE ARG 22 HE ARG 22 -2.316 -3.546 20.429 204 HH11 ARG 22 1HH1 ARG 22 -3.673 -1.254 22.798 205 HH12 ARG 22 2HH1 ARG 22 -2.607 -1.830 24.053 206 HH21 ARG 22 1HH2 ARG 22 -1.045 -4.195 22.042 207 HH22 ARG 22 2HH2 ARG 22 -1.123 -3.452 23.632 208 H GLY 23 H GLY 23 -6.460 2.758 20.804 209 HA2 GLY 23 1HA GLY 23 -6.134 4.310 22.469 210 HA3 GLY 23 2HA GLY 23 -5.622 3.004 23.549 211 H VAL 24 H VAL 24 -3.897 3.166 20.573 212 HA VAL 24 HA VAL 24 -1.565 4.144 22.123 213 HB VAL 24 HB VAL 24 -1.353 1.899 21.128 214 HG11 VAL 24 1HG1 VAL 24 -2.790 2.274 19.108 215 HG12 VAL 24 2HG1 VAL 24 -1.474 3.219 18.389 216 HG13 VAL 24 3HG1 VAL 24 -1.242 1.493 18.752 217 HG21 VAL 24 3HG2 VAL 24 0.651 3.257 21.482 218 HG22 VAL 24 1HG2 VAL 24 0.830 2.214 20.057 219 HG23 VAL 24 2HG2 VAL 24 0.489 3.945 19.851 220 H LYS 25 H LYS 25 -0.821 6.108 21.852 221 HA LYS 25 HA LYS 25 -2.210 7.816 19.939 222 HB2 LYS 25 1HB LYS 25 -1.677 8.378 22.343 223 HB3 LYS 25 2HB LYS 25 0.015 8.555 21.874 224 HG2 LYS 25 1HG LYS 25 -0.601 10.395 20.339 225 HG3 LYS 25 2HG LYS 25 -2.313 10.170 20.760 226 HD2 LYS 25 1HD LYS 25 -1.760 10.645 23.144 227 HD3 LYS 25 2HD LYS 25 -0.079 10.964 22.669 228 HE2 LYS 25 1HE LYS 25 -0.835 12.814 21.217 229 HE3 LYS 25 2HE LYS 25 -2.524 12.476 21.657 230 HZ1 LYS 25 3HZ LYS 25 -0.399 13.310 23.557 231 HZ2 LYS 25 1HZ LYS 25 -1.967 12.995 23.960 232 HZ3 LYS 25 2HZ LYS 25 -1.608 14.279 22.989 233 H VAL 26 H VAL 26 -1.465 6.960 17.961 234 HA VAL 26 HA VAL 26 1.188 8.098 17.165 235 HB VAL 26 HB VAL 26 1.409 6.228 15.503 236 HG11 VAL 26 1HG1 VAL 26 2.167 4.506 17.095 237 HG12 VAL 26 2HG1 VAL 26 2.639 6.132 17.630 238 HG13 VAL 26 3HG1 VAL 26 1.267 5.311 18.400 239 HG21 VAL 26 3HG2 VAL 26 0.082 4.158 15.813 240 HG22 VAL 26 1HG2 VAL 26 -0.905 4.967 17.046 241 HG23 VAL 26 2HG2 VAL 26 -0.949 5.527 15.360 242 H LYS 27 H LYS 27 1.226 8.595 14.805 243 HA LYS 27 HA LYS 27 -1.440 9.667 14.019 244 HB2 LYS 27 1HB LYS 27 0.616 11.149 14.130 245 HB3 LYS 27 2HB LYS 27 1.298 10.205 12.799 246 HG2 LYS 27 1HG LYS 27 -0.558 10.888 11.340 247 HG3 LYS 27 2HG LYS 27 -1.306 11.767 12.687 248 HD2 LYS 27 1HD LYS 27 0.701 13.224 12.816 249 HD3 LYS 27 2HD LYS 27 1.380 12.381 11.404 250 HE2 LYS 27 1HE LYS 27 -0.577 13.060 10.050 251 HE3 LYS 27 2HE LYS 27 -1.291 13.859 11.465 252 HZ1 LYS 27 3HZ LYS 27 0.584 15.382 11.484 253 HZ2 LYS 27 1HZ LYS 27 -0.181 15.436 10.023 254 HZ3 LYS 27 2HZ LYS 27 1.257 14.640 10.171 255 H PHE 28 H PHE 28 -2.365 9.121 12.025 256 HA PHE 28 HA PHE 28 -2.088 6.554 10.957 257 HB2 PHE 28 1HB PHE 28 -3.245 9.164 10.146 258 HB3 PHE 28 2HB PHE 28 -2.763 8.170 8.767 259 HD1 PHE 28 HD1 PHE 28 -4.848 8.132 11.879 260 HD2 PHE 28 HD2 PHE 28 -4.091 6.401 8.016 261 HE1 PHE 28 HE1 PHE 28 -6.950 6.814 12.056 262 HE2 PHE 28 HE2 PHE 28 -6.182 5.088 8.185 263 HZ PHE 28 HZ PHE 28 -7.620 5.305 10.190 264 H ALA 29 H ALA 29 -0.546 9.556 9.733 265 HA ALA 29 HA ALA 29 0.760 8.366 7.543 266 HB1 ALA 29 3HB ALA 29 0.498 10.806 7.849 267 HB2 ALA 29 1HB ALA 29 1.647 10.759 9.216 268 HB3 ALA 29 2HB ALA 29 2.198 10.363 7.571 269 H ASP 30 H ASP 30 1.665 8.378 10.965 270 HA ASP 30 HA ASP 30 4.374 7.418 10.347 271 HB2 ASP 30 1HB ASP 30 2.888 8.016 12.910 272 HB3 ASP 30 2HB ASP 30 4.471 7.220 12.891 273 H LEU 31 H LEU 31 1.214 6.049 11.093 274 HA LEU 31 HA LEU 31 2.402 3.469 11.848 275 HB2 LEU 31 1HB LEU 31 -0.019 4.618 12.411 276 HB3 LEU 31 2HB LEU 31 -0.460 3.514 11.088 277 HG LEU 31 HG LEU 31 1.011 2.771 13.666 278 HD11 LEU 31 1HD1 LEU 31 -0.995 1.598 14.303 279 HD12 LEU 31 2HD1 LEU 31 -1.790 2.068 12.783 280 HD13 LEU 31 3HD1 LEU 31 -1.359 3.303 13.990 281 HD21 LEU 31 3HD2 LEU 31 0.073 1.017 11.376 282 HD22 LEU 31 1HD2 LEU 31 0.575 0.402 12.967 283 HD23 LEU 31 2HD2 LEU 31 1.743 1.248 11.941 284 H LEU 32 H LEU 32 0.348 4.688 9.165 285 HA LEU 32 HA LEU 32 0.632 2.339 7.564 286 HB2 LEU 32 1HB LEU 32 0.036 5.214 6.888 287 HB3 LEU 32 2HB LEU 32 0.286 4.031 5.624 288 HG LEU 32 HG LEU 32 -2.003 4.229 5.836 289 HD11 LEU 32 1HD1 LEU 32 -1.269 1.865 5.722 290 HD12 LEU 32 2HD1 LEU 32 -2.869 2.097 6.446 291 HD13 LEU 32 3HD1 LEU 32 -1.469 1.765 7.490 292 HD21 LEU 32 3HD2 LEU 32 -3.285 4.150 7.798 293 HD22 LEU 32 1HD2 LEU 32 -2.025 5.385 7.947 294 HD23 LEU 32 2HD2 LEU 32 -1.835 3.827 8.788 295 H LYS 33 H LYS 33 2.911 4.862 8.188 296 HA LYS 33 HA LYS 33 4.693 4.602 5.993 297 HB2 LYS 33 1HB LYS 33 5.038 6.204 7.772 298 HB3 LYS 33 2HB LYS 33 5.142 4.919 8.968 299 HG2 LYS 33 1HG LYS 33 7.285 4.188 8.092 300 HG3 LYS 33 2HG LYS 33 7.168 5.372 6.766 301 HD2 LYS 33 1HD LYS 33 8.592 6.359 8.429 302 HD3 LYS 33 2HD LYS 33 7.029 7.193 8.536 303 HE2 LYS 33 1HE LYS 33 6.415 5.635 10.435 304 HE3 LYS 33 2HE LYS 33 8.059 4.984 10.365 305 HZ1 LYS 33 3HZ LYS 33 7.287 7.774 11.014 306 HZ2 LYS 33 1HZ LYS 33 8.851 7.261 10.838 307 HZ3 LYS 33 2HZ LYS 33 7.913 6.656 12.050 308 H PHE 34 H PHE 34 4.203 2.484 8.833 309 HA PHE 34 HA PHE 34 6.376 0.705 8.008 310 HB2 PHE 34 1HB PHE 34 4.285 0.557 10.193 311 HB3 PHE 34 2HB PHE 34 5.556 -0.636 9.954 312 HD1 PHE 34 HD2 PHE 34 7.994 0.100 10.094 313 HD2 PHE 34 HD1 PHE 34 4.725 2.594 11.336 314 HE1 PHE 34 HE2 PHE 34 9.572 1.497 11.418 315 HE2 PHE 34 HE1 PHE 34 6.284 3.996 12.662 316 HZ PHE 34 HZ PHE 34 8.715 3.451 12.714 317 H PHE 35 H PHE 35 2.920 0.946 7.490 318 HA PHE 35 HA PHE 35 2.549 -1.810 6.598 319 HB2 PHE 35 1HB PHE 35 1.004 0.768 6.155 320 HB3 PHE 35 2HB PHE 35 0.576 -0.726 5.335 321 HD1 PHE 35 HD1 PHE 35 1.727 -0.522 8.935 322 HD2 PHE 35 HD2 PHE 35 -1.573 -1.056 6.218 323 HE1 PHE 35 HE1 PHE 35 0.282 -1.219 10.817 324 HE2 PHE 35 HE2 PHE 35 -3.023 -1.737 8.121 325 HZ PHE 35 HZ PHE 35 -2.092 -1.824 10.423 326 H ASP 36 H ASP 36 3.960 1.123 5.309 327 HA ASP 36 HA ASP 36 3.844 0.167 2.534 328 HB2 ASP 36 1HB ASP 36 3.965 2.635 3.588 329 HB3 ASP 36 2HB ASP 36 5.698 2.350 3.375 330 H PHE 37 H PHE 37 6.120 0.310 5.229 331 HA PHE 37 HA PHE 37 8.492 -0.348 3.848 332 HB2 PHE 37 1HB PHE 37 8.266 0.507 6.192 333 HB3 PHE 37 2HB PHE 37 7.722 -1.098 6.693 334 HD1 PHE 37 HD1 PHE 37 10.601 0.692 5.078 335 HD2 PHE 37 HD2 PHE 37 9.299 -2.741 7.318 336 HE1 PHE 37 HE1 PHE 37 12.978 0.013 5.409 337 HE2 PHE 37 HE2 PHE 37 11.672 -3.431 7.652 338 HZ PHE 37 HZ PHE 37 13.518 -2.046 6.699 339 H VAL 38 H VAL 38 5.943 -2.504 5.133 340 HA VAL 38 HA VAL 38 7.416 -4.929 4.778 341 HB VAL 38 HB VAL 38 5.509 -5.246 6.084 342 HG11 VAL 38 1HG1 VAL 38 3.221 -4.570 5.472 343 HG12 VAL 38 2HG1 VAL 38 4.333 -3.213 5.656 344 HG13 VAL 38 3HG1 VAL 38 3.876 -3.771 4.027 345 HG21 VAL 38 3HG2 VAL 38 4.415 -6.170 3.392 346 HG22 VAL 38 1HG2 VAL 38 5.671 -7.036 4.304 347 HG23 VAL 38 2HG2 VAL 38 4.049 -6.841 4.996 348 H LYS 39 H LYS 39 5.671 -2.901 2.454 349 HA LYS 39 HA LYS 39 5.450 -4.896 0.410 350 HB2 LYS 39 1HB LYS 39 4.352 -2.583 0.510 351 HB3 LYS 39 2HB LYS 39 5.867 -1.940 -0.127 352 HG2 LYS 39 1HG LYS 39 5.634 -3.369 -2.132 353 HG3 LYS 39 2HG LYS 39 4.161 -4.078 -1.453 354 HD2 LYS 39 1HD LYS 39 3.126 -1.793 -1.457 355 HD3 LYS 39 2HD LYS 39 4.554 -1.188 -2.315 356 HE2 LYS 39 1HE LYS 39 4.114 -2.761 -4.174 357 HE3 LYS 39 2HE LYS 39 2.739 -3.444 -3.293 358 HZ1 LYS 39 3HZ LYS 39 1.647 -1.263 -3.449 359 HZ2 LYS 39 1HZ LYS 39 1.964 -1.885 -4.939 360 HZ3 LYS 39 2HZ LYS 39 2.905 -0.671 -4.336 361 H ASP 40 H ASP 40 8.129 -2.754 1.327 362 HA ASP 40 HA ASP 40 9.722 -3.284 -1.025 363 HB2 ASP 40 1HB ASP 40 10.039 -1.340 0.515 364 HB3 ASP 40 2HB ASP 40 10.604 -2.453 1.769 365 H THR 41 H THR 41 9.855 -4.549 2.340 366 HA THR 41 HA THR 41 11.939 -6.432 1.756 367 HB THR 41 HB THR 41 9.931 -6.800 3.992 368 HG1 THR 41 HG1 THR 41 11.869 -4.741 3.673 369 HG21 THR 41 1HG2 THR 41 12.958 -6.897 3.964 370 HG22 THR 41 2HG2 THR 41 11.933 -8.319 3.706 371 HG23 THR 41 3HG2 THR 41 11.877 -7.451 5.251 372 H CYS 42 H CYS 42 8.445 -6.565 1.503 373 HA CYS 42 HA CYS 42 8.648 -9.394 0.570 374 HB2 CYS 42 1HB CYS 42 6.518 -8.166 2.350 375 HB3 CYS 42 2HB CYS 42 6.421 -9.769 1.614 376 HG CYS 42 HG CYS 42 8.831 -8.705 3.569 377 HA PRO 43 HA PRO 43 6.426 -6.722 -2.483 378 HB2 PRO 43 1HB PRO 43 7.599 -7.660 -4.758 379 HB3 PRO 43 2HB PRO 43 8.382 -6.424 -3.721 380 HG2 PRO 43 1HG PRO 43 8.822 -9.406 -3.763 381 HG3 PRO 43 2HG PRO 43 10.035 -8.087 -3.837 382 HD2 PRO 43 1HD PRO 43 9.423 -9.360 -1.516 383 HD3 PRO 43 2HD PRO 43 9.814 -7.600 -1.558 384 H TRP 44 H TRP 44 6.917 -10.095 -1.989 385 HA TRP 44 HA TRP 44 4.842 -10.997 -3.824 386 HB2 TRP 44 1HB TRP 44 5.246 -13.126 -2.321 387 HB3 TRP 44 2HB TRP 44 6.418 -12.631 -3.555 388 HD1 TRP 44 HD1 TRP 44 5.861 -12.040 0.212 389 HE1 TRP 44 HE1 TRP 44 8.107 -11.848 1.426 390 HE3 TRP 44 HE3 TRP 44 8.856 -12.376 -3.888 391 HZ2 TRP 44 HZ2 TRP 44 10.858 -11.791 0.678 392 HZ3 TRP 44 HZ3 TRP 44 11.337 -12.213 -3.586 393 HH2 TRP 44 HH2 TRP 44 12.316 -11.922 -1.309 394 H PHE 45 H PHE 45 4.902 -9.652 -0.636 395 HA PHE 45 HA PHE 45 2.688 -11.115 0.447 396 HB2 PHE 45 1HB PHE 45 4.314 -9.781 1.769 397 HB3 PHE 45 2HB PHE 45 3.594 -8.300 1.145 398 HD1 PHE 45 HD2 PHE 45 3.090 -11.245 3.327 399 HD2 PHE 45 HD1 PHE 45 1.457 -7.495 1.988 400 HE1 PHE 45 HE2 PHE 45 1.445 -11.302 5.197 401 HE2 PHE 45 HE1 PHE 45 -0.196 -7.548 3.851 402 HZ PHE 45 HZ PHE 45 -0.195 -9.444 5.467 403 HA PRO 46 HA PRO 46 -0.229 -7.842 -1.069 404 HB2 PRO 46 1HB PRO 46 0.360 -6.112 -3.088 405 HB3 PRO 46 2HB PRO 46 0.697 -5.722 -1.372 406 HG2 PRO 46 1HG PRO 46 2.553 -6.853 -3.440 407 HG3 PRO 46 2HG PRO 46 2.776 -5.427 -2.386 408 HD2 PRO 46 1HD PRO 46 3.818 -7.806 -1.730 409 HD3 PRO 46 2HD PRO 46 3.108 -6.738 -0.475 410 H GLN 47 H GLN 47 2.091 -9.247 -3.343 411 HA GLN 47 HA GLN 47 0.302 -9.471 -5.559 412 HB2 GLN 47 1HB GLN 47 2.984 -10.370 -4.825 413 HB3 GLN 47 2HB GLN 47 2.102 -11.609 -5.722 414 HG2 GLN 47 1HG GLN 47 3.166 -10.423 -7.408 415 HG3 GLN 47 2HG GLN 47 1.547 -9.715 -7.405 416 HE21 GLN 47 2HE2 GLN 47 4.707 -8.982 -7.676 417 HE22 GLN 47 1HE2 GLN 47 4.698 -7.349 -7.058 418 H GLU 48 H GLU 48 1.048 -11.695 -2.837 419 HA GLU 48 HA GLU 48 -0.789 -13.724 -3.893 420 HB2 GLU 48 1HB GLU 48 0.550 -13.392 -1.183 421 HB3 GLU 48 2HB GLU 48 -0.494 -14.750 -1.624 422 HG2 GLU 48 1HG GLU 48 1.079 -15.235 -3.547 423 HG3 GLU 48 2HG GLU 48 2.182 -14.027 -2.872 424 H GLY 49 H GLY 49 -0.986 -10.818 -2.029 425 HA2 GLY 49 1HA GLY 49 -2.785 -9.660 -1.251 426 HA3 GLY 49 2HA GLY 49 -3.715 -10.587 -2.414 427 H THR 50 H THR 50 -2.141 -12.129 0.326 428 HA THR 50 HA THR 50 -4.837 -12.502 1.573 429 HB THR 50 HB THR 50 -2.642 -14.594 1.331 430 HG1 THR 50 HG1 THR 50 -3.805 -14.037 -0.661 431 HG21 THR 50 1HG2 THR 50 -4.494 -16.133 2.062 432 HG22 THR 50 2HG2 THR 50 -5.509 -14.705 2.360 433 HG23 THR 50 3HG2 THR 50 -4.025 -14.959 3.314 434 H ILE 51 H ILE 51 -4.911 -12.132 3.710 435 HA ILE 51 HA ILE 51 -2.295 -11.575 5.075 436 HB ILE 51 HB ILE 51 -4.882 -9.971 5.179 437 HG12 ILE 51 1HG1 ILE 51 -2.123 -9.255 4.115 438 HG13 ILE 51 2HG1 ILE 51 -3.486 -9.718 3.106 439 HG21 ILE 51 1HG2 ILE 51 -3.658 -10.043 7.395 440 HG22 ILE 51 2HG2 ILE 51 -2.232 -9.350 6.581 441 HG23 ILE 51 3HG2 ILE 51 -3.758 -8.429 6.679 442 HD11 ILE 51 3HD1 ILE 51 -3.251 -7.256 4.802 443 HD12 ILE 51 1HD1 ILE 51 -3.281 -7.381 3.039 444 HD13 ILE 51 2HD1 ILE 51 -4.737 -7.773 3.975 445 H ASP 52 H ASP 52 -2.066 -13.213 6.387 446 HA ASP 52 HA ASP 52 -4.039 -13.576 8.541 447 HB2 ASP 52 1HB ASP 52 -4.874 -15.478 7.649 448 HB3 ASP 52 2HB ASP 52 -3.663 -15.465 6.375 449 H ILE 53 H ILE 53 -2.934 -14.969 10.240 450 HA ILE 53 HA ILE 53 -0.506 -13.572 10.800 451 HB ILE 53 HB ILE 53 -2.151 -14.305 12.510 452 HG12 ILE 53 1HG1 ILE 53 -0.511 -15.003 14.252 453 HG13 ILE 53 2HG1 ILE 53 0.696 -15.213 12.986 454 HG21 ILE 53 1HG2 ILE 53 -2.206 -16.541 13.399 455 HG22 ILE 53 2HG2 ILE 53 -2.584 -16.588 11.666 456 HG23 ILE 53 3HG2 ILE 53 -0.968 -17.074 12.240 457 HD11 ILE 53 3HD1 ILE 53 0.831 -13.041 14.259 458 HD12 ILE 53 1HD1 ILE 53 0.708 -12.846 12.500 459 HD13 ILE 53 2HD1 ILE 53 -0.718 -12.576 13.531 460 H LYS 54 H LYS 54 -1.083 -16.802 9.515 461 HA LYS 54 HA LYS 54 1.644 -17.695 9.996 462 HB2 LYS 54 1HB LYS 54 -0.416 -18.673 7.982 463 HB3 LYS 54 2HB LYS 54 1.087 -19.501 8.362 464 HG2 LYS 54 1HG LYS 54 0.370 -20.115 10.518 465 HG3 LYS 54 2HG LYS 54 -0.908 -18.896 10.562 466 HD2 LYS 54 1HD LYS 54 -0.984 -21.227 8.615 467 HD3 LYS 54 2HD LYS 54 -1.655 -21.318 10.258 468 HE2 LYS 54 1HE LYS 54 -3.044 -19.291 9.756 469 HE3 LYS 54 2HE LYS 54 -2.474 -19.350 8.086 470 HZ1 LYS 54 3HZ LYS 54 -4.063 -21.446 9.434 471 HZ2 LYS 54 1HZ LYS 54 -3.534 -21.512 7.872 472 HZ3 LYS 54 2HZ LYS 54 -4.625 -20.363 8.327 473 H ARG 55 H ARG 55 0.067 -15.758 7.538 474 HA ARG 55 HA ARG 55 2.466 -15.829 5.802 475 HB2 ARG 55 1HB ARG 55 -0.075 -14.163 5.742 476 HB3 ARG 55 2HB ARG 55 1.225 -14.064 4.546 477 HG2 ARG 55 1HG ARG 55 0.896 -16.424 3.974 478 HG3 ARG 55 2HG ARG 55 -0.430 -16.538 5.153 479 HD2 ARG 55 1HD ARG 55 -1.814 -15.132 3.923 480 HD3 ARG 55 2HD ARG 55 -0.462 -14.408 3.043 481 HE ARG 55 HE ARG 55 -1.879 -16.867 2.369 482 HH11 ARG 55 1HH1 ARG 55 1.061 -14.996 1.851 483 HH12 ARG 55 2HH1 ARG 55 1.425 -15.793 0.336 484 HH21 ARG 55 1HH2 ARG 55 -1.378 -17.808 0.396 485 HH22 ARG 55 2HH2 ARG 55 0.067 -17.321 -0.476 486 H TRP 56 H TRP 56 0.906 -13.677 8.179 487 HA TRP 56 HA TRP 56 2.603 -11.436 7.778 488 HB2 TRP 56 1HB TRP 56 0.457 -11.519 9.088 489 HB3 TRP 56 2HB TRP 56 1.355 -12.357 10.377 490 HD1 TRP 56 HD1 TRP 56 2.164 -10.702 12.198 491 HE1 TRP 56 HE1 TRP 56 2.883 -8.264 12.373 492 HE3 TRP 56 HE3 TRP 56 1.619 -9.461 7.266 493 HZ2 TRP 56 HZ2 TRP 56 3.223 -6.066 10.589 494 HZ3 TRP 56 HZ3 TRP 56 2.195 -7.141 6.542 495 HH2 TRP 56 HH2 TRP 56 2.994 -5.461 8.204 496 H ARG 57 H ARG 57 3.009 -14.328 9.835 497 HA ARG 57 HA ARG 57 5.216 -13.255 11.266 498 HB2 ARG 57 1HB ARG 57 5.721 -15.534 11.899 499 HB3 ARG 57 2HB ARG 57 4.035 -15.075 12.132 500 HG2 ARG 57 1HG ARG 57 3.608 -16.253 9.939 501 HG3 ARG 57 2HG ARG 57 5.188 -17.033 10.243 502 HD2 ARG 57 1HD ARG 57 4.275 -17.364 12.662 503 HD3 ARG 57 2HD ARG 57 2.677 -17.012 11.966 504 HE ARG 57 HE ARG 57 4.010 -19.067 10.464 505 HH11 ARG 57 1HH1 ARG 57 2.357 -18.585 13.548 506 HH12 ARG 57 2HH1 ARG 57 1.918 -20.264 13.690 507 HH21 ARG 57 1HH2 ARG 57 3.422 -21.204 10.716 508 HH22 ARG 57 2HH2 ARG 57 2.511 -21.719 12.110 509 H ARG 58 H ARG 58 5.054 -14.942 8.234 510 HA ARG 58 HA ARG 58 7.853 -15.200 7.724 511 HB2 ARG 58 1HB ARG 58 5.604 -14.659 5.765 512 HB3 ARG 58 2HB ARG 58 7.252 -15.074 5.316 513 HG2 ARG 58 1HG ARG 58 7.043 -17.264 6.351 514 HG3 ARG 58 2HG ARG 58 5.417 -16.861 6.945 515 HD2 ARG 58 1HD ARG 58 5.234 -18.193 4.898 516 HD3 ARG 58 2HD ARG 58 4.649 -16.542 4.609 517 HE ARG 58 HE ARG 58 7.463 -16.904 3.949 518 HH11 ARG 58 1HH1 ARG 58 4.188 -17.184 2.640 519 HH12 ARG 58 2HH1 ARG 58 4.731 -17.002 0.992 520 HH21 ARG 58 1HH2 ARG 58 8.077 -16.711 1.821 521 HH22 ARG 58 2HH2 ARG 58 6.890 -16.755 0.545 522 H VAL 59 H VAL 59 5.789 -12.325 7.613 523 HA VAL 59 HA VAL 59 7.629 -10.737 6.036 524 HB VAL 59 HB VAL 59 5.566 -9.818 8.096 525 HG11 VAL 59 1HG1 VAL 59 6.890 -8.315 5.822 526 HG12 VAL 59 2HG1 VAL 59 5.607 -7.692 6.890 527 HG13 VAL 59 3HG1 VAL 59 7.201 -8.084 7.553 528 HG21 VAL 59 3HG2 VAL 59 4.501 -11.159 6.384 529 HG22 VAL 59 1HG2 VAL 59 4.110 -9.451 6.122 530 HG23 VAL 59 2HG2 VAL 59 5.334 -10.246 5.103 531 H GLY 60 H GLY 60 7.170 -11.482 9.471 532 HA2 GLY 60 1HA GLY 60 9.129 -9.586 10.404 533 HA3 GLY 60 2HA GLY 60 8.463 -10.971 11.291 534 H ASP 61 H ASP 61 9.180 -13.013 9.439 535 HA ASP 61 HA ASP 61 11.889 -13.559 10.158 536 HB2 ASP 61 1HB ASP 61 10.278 -14.656 7.806 537 HB3 ASP 61 2HB ASP 61 11.754 -15.369 8.464 538 H CYS 62 H CYS 62 10.348 -12.185 7.250 539 HA CYS 62 HA CYS 62 12.716 -11.867 5.691 540 HB2 CYS 62 1HB CYS 62 9.934 -11.181 5.535 541 HB3 CYS 62 2HB CYS 62 10.875 -9.733 5.188 542 HG CYS 62 HG CYS 62 10.579 -10.411 2.888 543 H PHE 63 H PHE 63 11.101 -9.629 8.032 544 HA PHE 63 HA PHE 63 12.916 -7.447 7.560 545 HB2 PHE 63 1HB PHE 63 11.402 -8.219 10.085 546 HB3 PHE 63 2HB PHE 63 12.311 -6.726 9.892 547 HD1 PHE 63 HD2 PHE 63 11.478 -6.143 6.946 548 HD2 PHE 63 HD1 PHE 63 9.264 -7.230 10.475 549 HE1 PHE 63 HE2 PHE 63 9.481 -4.976 6.045 550 HE2 PHE 63 HE1 PHE 63 7.271 -6.030 9.586 551 HZ PHE 63 HZ PHE 63 7.374 -4.909 7.369 552 H GLN 64 H GLN 64 13.070 -10.337 9.623 553 HA GLN 64 HA GLN 64 15.301 -9.483 11.183 554 HB2 GLN 64 1HB GLN 64 13.830 -11.446 11.687 555 HB3 GLN 64 2HB GLN 64 14.553 -12.298 10.323 556 HG2 GLN 64 1HG GLN 64 16.782 -12.082 11.435 557 HG3 GLN 64 2HG GLN 64 15.953 -11.414 12.851 558 HE21 GLN 64 2HE2 GLN 64 16.121 -14.237 10.689 559 HE22 GLN 64 1HE2 GLN 64 15.610 -15.394 11.899 560 H ASP 65 H ASP 65 15.124 -11.326 8.076 561 HA ASP 65 HA ASP 65 18.007 -11.559 7.940 562 HB2 ASP 65 1HB ASP 65 15.796 -11.938 5.910 563 HB3 ASP 65 2HB ASP 65 17.508 -12.164 5.520 564 H TYR 66 H TYR 66 15.658 -9.223 6.705 565 HA TYR 66 HA TYR 66 17.456 -7.768 5.009 566 HB2 TYR 66 1HB TYR 66 14.855 -7.699 5.379 567 HB3 TYR 66 2HB TYR 66 15.223 -6.488 6.593 568 HD1 TYR 66 HD2 TYR 66 15.261 -7.306 2.963 569 HD2 TYR 66 HD1 TYR 66 15.881 -4.210 5.877 570 HE1 TYR 66 HE2 TYR 66 15.142 -5.564 1.168 571 HE2 TYR 66 HE1 TYR 66 15.750 -2.495 4.099 572 HH TYR 66 HH TYR 66 14.595 -3.049 0.990 573 H PHE 67 H PHE 67 16.637 -7.612 8.486 574 HA PHE 67 HA PHE 67 18.378 -5.395 9.145 575 HB2 PHE 67 1HB PHE 67 16.516 -6.121 10.574 576 HB3 PHE 67 2HB PHE 67 17.278 -7.688 10.813 577 HD1 PHE 67 HD1 PHE 67 19.340 -7.918 12.190 578 HD2 PHE 67 HD2 PHE 67 17.222 -4.185 11.865 579 HE1 PHE 67 HE1 PHE 67 20.524 -7.072 14.208 580 HE2 PHE 67 HE2 PHE 67 18.376 -3.347 13.897 581 HZ PHE 67 HZ PHE 67 20.043 -4.781 15.069 582 H ASN 68 H ASN 68 18.805 -8.967 9.144 583 HA ASN 68 HA ASN 68 21.327 -9.005 10.437 584 HB2 ASN 68 1HB ASN 68 20.101 -10.851 8.358 585 HB3 ASN 68 2HB ASN 68 21.665 -11.165 9.113 586 HD21 ASN 68 2HD2 ASN 68 19.211 -12.753 9.251 587 HD22 ASN 68 1HD2 ASN 68 18.849 -12.869 10.953 588 H THR 69 H THR 69 20.496 -8.032 7.189 589 HA THR 69 HA THR 69 23.056 -8.430 5.998 590 HB THR 69 HB THR 69 20.985 -6.286 5.320 591 HG1 THR 69 HG1 THR 69 20.240 -8.551 5.361 592 HG21 THR 69 1HG2 THR 69 23.170 -7.616 3.671 593 HG22 THR 69 2HG2 THR 69 23.108 -5.906 4.163 594 HG23 THR 69 3HG2 THR 69 21.907 -6.551 3.021 595 H PHE 70 H PHE 70 21.661 -5.375 7.393 596 HA PHE 70 HA PHE 70 24.481 -4.453 7.702 597 HB2 PHE 70 1HB PHE 70 22.675 -3.460 5.879 598 HB3 PHE 70 2HB PHE 70 22.638 -2.267 7.181 599 HD1 PHE 70 HD1 PHE 70 24.803 -4.077 4.771 600 HD2 PHE 70 HD2 PHE 70 24.530 -0.809 7.549 601 HE1 PHE 70 HE1 PHE 70 26.959 -3.172 3.903 602 HE2 PHE 70 HE2 PHE 70 26.683 0.110 6.697 603 HZ PHE 70 HZ PHE 70 27.905 -1.072 4.867 604 H GLY 71 H GLY 71 22.139 -5.391 9.646 605 HA2 GLY 71 1HA GLY 71 21.854 -4.924 11.903 606 HA3 GLY 71 2HA GLY 71 22.995 -3.578 11.751 607 HA PRO 72 HA PRO 72 18.813 -1.794 12.355 608 HB2 PRO 72 1HB PRO 72 19.555 0.472 13.688 609 HB3 PRO 72 2HB PRO 72 19.431 -1.127 14.491 610 HG2 PRO 72 1HG PRO 72 21.868 0.218 13.352 611 HG3 PRO 72 2HG PRO 72 21.625 -0.475 14.988 612 HD2 PRO 72 1HD PRO 72 22.848 -1.886 13.060 613 HD3 PRO 72 2HD PRO 72 21.690 -2.687 14.181 614 H GLU 73 H GLU 73 21.606 -0.666 10.697 615 HA GLU 73 HA GLU 73 20.507 1.773 9.641 616 HB2 GLU 73 1HB GLU 73 22.609 -0.038 8.408 617 HB3 GLU 73 2HB GLU 73 22.366 1.685 8.097 618 HG2 GLU 73 1HG GLU 73 23.376 0.381 10.652 619 HG3 GLU 73 2HG GLU 73 24.287 1.417 9.544 620 H LYS 74 H LYS 74 20.051 -1.609 8.943 621 HA LYS 74 HA LYS 74 18.894 -0.977 6.282 622 HB2 LYS 74 1HB LYS 74 20.128 -3.288 7.515 623 HB3 LYS 74 2HB LYS 74 18.547 -3.709 6.845 624 HG2 LYS 74 1HG LYS 74 20.690 -2.238 5.274 625 HG3 LYS 74 2HG LYS 74 20.504 -4.003 5.267 626 HD2 LYS 74 1HD LYS 74 18.235 -3.781 4.411 627 HD3 LYS 74 2HD LYS 74 18.374 -2.014 4.426 628 HE2 LYS 74 1HE LYS 74 20.269 -2.182 2.827 629 HE3 LYS 74 2HE LYS 74 20.029 -3.944 2.767 630 HZ1 LYS 74 3HZ LYS 74 17.766 -3.528 1.964 631 HZ2 LYS 74 1HZ LYS 74 18.873 -2.848 0.948 632 HZ3 LYS 74 2HZ LYS 74 18.015 -1.902 1.993 633 H VAL 75 H VAL 75 17.889 -2.226 9.480 634 HA VAL 75 HA VAL 75 15.106 -1.477 8.678 635 HB VAL 75 HB VAL 75 15.848 -3.953 10.336 636 HG11 VAL 75 1HG1 VAL 75 13.140 -2.847 9.507 637 HG12 VAL 75 2HG1 VAL 75 13.397 -4.454 10.228 638 HG13 VAL 75 3HG1 VAL 75 13.782 -3.002 11.158 639 HG21 VAL 75 3HG2 VAL 75 14.814 -5.255 8.542 640 HG22 VAL 75 1HG2 VAL 75 14.625 -3.767 7.585 641 HG23 VAL 75 2HG2 VAL 75 16.248 -4.373 7.997 642 HA PRO 76 HA PRO 76 16.014 0.503 12.553 643 HB2 PRO 76 1HB PRO 76 13.637 1.704 13.136 644 HB3 PRO 76 2HB PRO 76 14.730 2.334 11.892 645 HG2 PRO 76 1HG PRO 76 12.308 0.633 11.560 646 HG3 PRO 76 2HG PRO 76 12.776 2.109 10.668 647 HD2 PRO 76 1HD PRO 76 13.208 -0.398 9.683 648 HD3 PRO 76 2HD PRO 76 14.336 0.965 9.361 649 H VAL 77 H VAL 77 15.720 -0.133 14.741 650 HA VAL 77 HA VAL 77 14.483 -2.657 15.134 651 HB VAL 77 HB VAL 77 14.897 -2.289 17.558 652 HG11 VAL 77 1HG1 VAL 77 17.343 -2.185 17.384 653 HG12 VAL 77 2HG1 VAL 77 16.681 -3.131 16.036 654 HG13 VAL 77 3HG1 VAL 77 17.231 -1.461 15.765 655 HG21 VAL 77 3HG2 VAL 77 15.884 0.471 16.692 656 HG22 VAL 77 1HG2 VAL 77 14.424 0.148 17.661 657 HG23 VAL 77 2HG2 VAL 77 16.026 -0.237 18.313 658 H THR 78 H THR 78 13.108 0.547 15.234 659 HA THR 78 HA THR 78 10.833 -0.203 16.855 660 HB THR 78 HB THR 78 11.559 2.194 16.427 661 HG1 THR 78 HG1 THR 78 9.537 1.702 17.324 662 HG21 THR 78 1HG2 THR 78 10.742 3.358 14.496 663 HG22 THR 78 2HG2 THR 78 10.003 1.876 13.863 664 HG23 THR 78 3HG2 THR 78 11.768 2.025 13.949 665 H ALA 79 H ALA 79 11.689 -0.715 13.462 666 HA ALA 79 HA ALA 79 8.988 -0.987 12.523 667 HB1 ALA 79 3HB ALA 79 10.005 -2.345 10.710 668 HB2 ALA 79 1HB ALA 79 10.841 -0.801 10.977 669 HB3 ALA 79 2HB ALA 79 11.549 -2.311 11.590 670 H PHE 80 H PHE 80 11.184 -3.263 14.204 671 HA PHE 80 HA PHE 80 9.451 -5.547 13.866 672 HB2 PHE 80 1HB PHE 80 11.513 -4.925 16.011 673 HB3 PHE 80 2HB PHE 80 10.747 -6.497 15.757 674 HD1 PHE 80 HD2 PHE 80 11.251 -7.841 13.732 675 HD2 PHE 80 HD1 PHE 80 13.293 -4.157 14.584 676 HE1 PHE 80 HE2 PHE 80 13.026 -8.457 12.106 677 HE2 PHE 80 HE1 PHE 80 15.078 -4.749 12.966 678 HZ PHE 80 HZ PHE 80 14.941 -6.919 11.717 679 H SER 81 H SER 81 9.600 -2.885 16.160 680 HA SER 81 HA SER 81 7.824 -4.098 18.116 681 HB2 SER 81 1HB SER 81 9.408 -2.270 18.686 682 HB3 SER 81 2HB SER 81 8.500 -1.165 17.634 683 HG SER 81 HG SER 81 7.996 -1.235 20.003 684 H TYR 82 H TYR 82 7.497 -1.768 15.432 685 HA TYR 82 HA TYR 82 4.665 -1.405 15.669 686 HB2 TYR 82 1HB TYR 82 6.782 -0.935 13.614 687 HB3 TYR 82 2HB TYR 82 5.115 -1.052 13.030 688 HD1 TYR 82 HD1 TYR 82 7.440 0.946 15.162 689 HD2 TYR 82 HD2 TYR 82 3.439 0.554 13.616 690 HE1 TYR 82 HE1 TYR 82 6.935 3.268 15.893 691 HE2 TYR 82 HE2 TYR 82 2.953 2.919 14.337 692 HH TYR 82 HH TYR 82 5.371 4.916 16.033 693 H TRP 83 H TRP 83 6.694 -3.747 13.909 694 HA TRP 83 HA TRP 83 4.618 -5.001 12.469 695 HB2 TRP 83 1HB TRP 83 6.982 -5.395 12.005 696 HB3 TRP 83 2HB TRP 83 7.235 -6.020 13.621 697 HD1 TRP 83 HD1 TRP 83 5.642 -7.101 10.294 698 HE1 TRP 83 HE1 TRP 83 5.445 -9.635 10.221 699 HE3 TRP 83 HE3 TRP 83 7.064 -8.063 15.117 700 HZ2 TRP 83 HZ2 TRP 83 5.951 -11.790 11.998 701 HZ3 TRP 83 HZ3 TRP 83 7.221 -10.430 15.869 702 HH2 TRP 83 HH2 TRP 83 6.667 -12.286 14.300 703 H ASN 84 H ASN 84 5.833 -5.510 15.780 704 HA ASN 84 HA ASN 84 4.312 -7.873 16.317 705 HB2 ASN 84 1HB ASN 84 5.814 -5.866 17.925 706 HB3 ASN 84 2HB ASN 84 4.574 -6.797 18.774 707 HD21 ASN 84 2HD2 ASN 84 7.735 -6.819 17.491 708 HD22 ASN 84 1HD2 ASN 84 8.092 -8.495 17.846 709 H LEU 85 H LEU 85 3.412 -4.453 16.302 710 HA LEU 85 HA LEU 85 1.017 -4.790 17.890 711 HB2 LEU 85 1HB LEU 85 1.945 -2.570 17.498 712 HB3 LEU 85 2HB LEU 85 1.779 -2.768 15.759 713 HG LEU 85 HG LEU 85 -0.640 -2.720 15.904 714 HD11 LEU 85 1HD1 LEU 85 -0.990 -3.707 18.110 715 HD12 LEU 85 2HD1 LEU 85 -1.782 -2.136 17.985 716 HD13 LEU 85 3HD1 LEU 85 -0.252 -2.285 18.884 717 HD21 LEU 85 3HD2 LEU 85 0.623 -0.626 15.629 718 HD22 LEU 85 1HD2 LEU 85 0.679 -0.421 17.397 719 HD23 LEU 85 2HD2 LEU 85 -0.880 -0.362 16.538 720 H ILE 86 H ILE 86 1.706 -4.932 14.345 721 HA ILE 86 HA ILE 86 -1.084 -5.475 13.790 722 HB ILE 86 HB ILE 86 1.316 -6.015 12.019 723 HG12 ILE 86 1HG1 ILE 86 -0.227 -3.788 11.146 724 HG13 ILE 86 2HG1 ILE 86 0.051 -3.547 12.871 725 HG21 ILE 86 1HG2 ILE 86 -0.437 -5.843 10.201 726 HG22 ILE 86 2HG2 ILE 86 -0.621 -7.250 11.260 727 HG23 ILE 86 3HG2 ILE 86 -1.684 -5.848 11.485 728 HD11 ILE 86 3HD1 ILE 86 2.503 -4.031 12.400 729 HD12 ILE 86 1HD1 ILE 86 2.094 -3.882 10.675 730 HD13 ILE 86 2HD1 ILE 86 1.857 -2.502 11.773 731 H LYS 87 H LYS 87 1.768 -7.349 14.592 732 HA LYS 87 HA LYS 87 0.897 -9.923 13.792 733 HB2 LYS 87 1HB LYS 87 3.176 -9.228 14.652 734 HB3 LYS 87 2HB LYS 87 2.485 -9.209 16.271 735 HG2 LYS 87 1HG LYS 87 1.897 -11.649 15.917 736 HG3 LYS 87 2HG LYS 87 2.943 -11.567 14.480 737 HD2 LYS 87 1HD LYS 87 4.655 -11.990 15.916 738 HD3 LYS 87 2HD LYS 87 4.468 -10.305 16.404 739 HE2 LYS 87 1HE LYS 87 2.827 -11.008 18.152 740 HE3 LYS 87 2HE LYS 87 3.124 -12.704 17.716 741 HZ1 LYS 87 3HZ LYS 87 4.465 -11.985 19.609 742 HZ2 LYS 87 1HZ LYS 87 5.177 -10.799 18.704 743 HZ3 LYS 87 2HZ LYS 87 5.440 -12.389 18.340 744 H GLU 88 H GLU 88 0.441 -8.267 16.991 745 HA GLU 88 HA GLU 88 -1.171 -10.442 17.995 746 HB2 GLU 88 1HB GLU 88 -1.754 -8.965 19.829 747 HB3 GLU 88 2HB GLU 88 -0.022 -8.857 19.489 748 HG2 GLU 88 1HG GLU 88 -0.366 -6.736 18.317 749 HG3 GLU 88 2HG GLU 88 -2.108 -6.832 18.598 750 H LEU 89 H LEU 89 -1.905 -7.574 16.059 751 HA LEU 89 HA LEU 89 -4.727 -7.645 16.535 752 HB2 LEU 89 1HB LEU 89 -3.009 -6.408 14.409 753 HB3 LEU 89 2HB LEU 89 -4.760 -6.325 14.342 754 HG LEU 89 HG LEU 89 -3.138 -5.304 16.693 755 HD11 LEU 89 1HD1 LEU 89 -2.543 -4.054 14.666 756 HD12 LEU 89 2HD1 LEU 89 -3.497 -3.049 15.770 757 HD13 LEU 89 3HD1 LEU 89 -4.263 -3.752 14.327 758 HD21 LEU 89 3HD2 LEU 89 -5.193 -4.028 17.224 759 HD22 LEU 89 1HD2 LEU 89 -5.467 -5.777 17.273 760 HD23 LEU 89 2HD2 LEU 89 -6.031 -4.830 15.878 761 H ILE 90 H ILE 90 -2.699 -9.113 13.978 762 HA ILE 90 HA ILE 90 -5.060 -10.198 12.632 763 HB ILE 90 HB ILE 90 -2.119 -11.005 12.355 764 HG12 ILE 90 1HG1 ILE 90 -3.796 -9.279 10.488 765 HG13 ILE 90 2HG1 ILE 90 -2.737 -8.599 11.723 766 HG21 ILE 90 1HG2 ILE 90 -2.831 -12.050 10.224 767 HG22 ILE 90 2HG2 ILE 90 -3.742 -12.761 11.561 768 HG23 ILE 90 3HG2 ILE 90 -4.510 -11.551 10.509 769 HD11 ILE 90 3HD1 ILE 90 -1.594 -8.610 9.566 770 HD12 ILE 90 1HD1 ILE 90 -0.790 -9.732 10.687 771 HD13 ILE 90 2HD1 ILE 90 -1.845 -10.360 9.399 772 H ASP 91 H ASP 91 -2.638 -11.358 15.005 773 HA ASP 91 HA ASP 91 -3.381 -14.107 14.954 774 HB2 ASP 91 1HB ASP 91 -1.363 -13.076 16.071 775 HB3 ASP 91 2HB ASP 91 -2.436 -12.528 17.369 776 H LYS 92 H LYS 92 -4.858 -11.313 16.519 777 HA LYS 92 HA LYS 92 -6.958 -13.154 17.581 778 HB2 LYS 92 1HB LYS 92 -5.939 -10.521 18.675 779 HB3 LYS 92 2HB LYS 92 -7.395 -11.328 19.270 780 HG2 LYS 92 1HG LYS 92 -4.679 -12.684 19.228 781 HG3 LYS 92 2HG LYS 92 -5.271 -11.749 20.612 782 HD2 LYS 92 1HD LYS 92 -7.094 -13.240 20.990 783 HD3 LYS 92 2HD LYS 92 -6.893 -14.032 19.423 784 HE2 LYS 92 1HE LYS 92 -4.726 -14.133 21.528 785 HE3 LYS 92 2HE LYS 92 -6.070 -15.300 21.479 786 HZ1 LYS 92 3HZ LYS 92 -4.070 -14.831 19.334 787 HZ2 LYS 92 1HZ LYS 92 -5.427 -15.755 19.139 788 HZ3 LYS 92 2HZ LYS 92 -4.270 -16.197 20.229 789 H LYS 93 H LYS 93 -6.862 -12.071 14.871 790 HA LYS 93 HA LYS 93 -8.804 -9.958 14.621 791 HB2 LYS 93 1HB LYS 93 -9.002 -10.624 12.316 792 HB3 LYS 93 2HB LYS 93 -7.308 -10.771 12.789 793 HG2 LYS 93 1HG LYS 93 -7.905 -13.297 13.222 794 HG3 LYS 93 2HG LYS 93 -9.310 -12.970 12.195 795 HD2 LYS 93 1HD LYS 93 -6.429 -12.405 11.394 796 HD3 LYS 93 2HD LYS 93 -7.250 -13.918 11.021 797 HE2 LYS 93 1HE LYS 93 -8.316 -11.223 10.135 798 HE3 LYS 93 2HE LYS 93 -7.146 -12.154 9.186 799 HZ1 LYS 93 3HZ LYS 93 -8.753 -13.983 9.146 800 HZ2 LYS 93 1HZ LYS 93 -9.345 -12.621 8.430 801 HZ3 LYS 93 2HZ LYS 93 -9.861 -13.045 9.936 802 H GLU 94 H GLU 94 -9.003 -13.269 15.487 803 HA GLU 94 HA GLU 94 -11.675 -13.914 14.800 804 HB2 GLU 94 1HB GLU 94 -11.380 -15.612 16.658 805 HB3 GLU 94 2HB GLU 94 -10.147 -15.632 15.390 806 HG2 GLU 94 1HG GLU 94 -8.602 -14.352 16.862 807 HG3 GLU 94 2HG GLU 94 -9.819 -14.357 18.139 808 H VAL 95 H VAL 95 -10.409 -12.005 17.511 809 HA VAL 95 HA VAL 95 -13.219 -11.792 18.539 810 HB VAL 95 HB VAL 95 -12.216 -11.379 20.800 811 HG11 VAL 95 1HG1 VAL 95 -13.053 -13.623 20.147 812 HG12 VAL 95 2HG1 VAL 95 -11.428 -14.061 19.580 813 HG13 VAL 95 3HG1 VAL 95 -11.707 -13.720 21.300 814 HG21 VAL 95 3HG2 VAL 95 -9.601 -12.341 19.541 815 HG22 VAL 95 1HG2 VAL 95 -9.940 -10.658 20.012 816 HG23 VAL 95 2HG2 VAL 95 -9.877 -11.931 21.246 817 H ASN 96 H ASN 96 -11.208 -10.186 16.681 818 HA ASN 96 HA ASN 96 -11.861 -7.546 17.935 819 HB2 ASN 96 1HB ASN 96 -9.429 -8.135 18.040 820 HB3 ASN 96 2HB ASN 96 -9.402 -8.173 16.277 821 HD21 ASN 96 2HD2 ASN 96 -8.119 -6.430 18.378 822 HD22 ASN 96 1HD2 ASN 96 -8.497 -4.799 17.879 823 HA PRO 97 HA PRO 97 -13.829 -8.021 13.853 824 HB2 PRO 97 1HB PRO 97 -16.038 -6.459 14.279 825 HB3 PRO 97 2HB PRO 97 -15.914 -8.160 14.835 826 HG2 PRO 97 1HG PRO 97 -15.375 -5.639 16.382 827 HG3 PRO 97 2HG PRO 97 -16.421 -7.027 16.819 828 HD2 PRO 97 1HD PRO 97 -13.915 -6.832 17.768 829 HD3 PRO 97 2HD PRO 97 -14.577 -8.422 17.251 830 H GLN 98 H GLN 98 -12.945 -5.073 15.595 831 HA GLN 98 HA GLN 98 -13.448 -3.229 13.450 832 HB2 GLN 98 1HB GLN 98 -11.692 -3.216 15.908 833 HB3 GLN 98 2HB GLN 98 -11.427 -2.007 14.650 834 HG2 GLN 98 1HG GLN 98 -12.828 -0.998 16.227 835 HG3 GLN 98 2HG GLN 98 -13.844 -1.380 14.834 836 HE21 GLN 98 2HE2 GLN 98 -12.991 -2.329 18.133 837 HE22 GLN 98 1HE2 GLN 98 -14.451 -3.241 18.435 838 H VAL 99 H VAL 99 -10.541 -5.077 14.497 839 HA VAL 99 HA VAL 99 -9.137 -4.006 12.190 840 HB VAL 99 HB VAL 99 -8.070 -4.590 14.456 841 HG11 VAL 99 1HG1 VAL 99 -8.943 -6.969 14.474 842 HG12 VAL 99 2HG1 VAL 99 -7.789 -7.340 13.178 843 HG13 VAL 99 3HG1 VAL 99 -7.204 -6.808 14.768 844 HG21 VAL 99 3HG2 VAL 99 -6.900 -3.847 12.386 845 HG22 VAL 99 1HG2 VAL 99 -5.933 -4.941 13.380 846 HG23 VAL 99 2HG2 VAL 99 -6.715 -5.551 11.909 847 H MET 100 H MET 100 -10.905 -6.979 12.962 848 HA MET 100 HA MET 100 -9.990 -8.579 10.817 849 HB2 MET 100 1HB MET 100 -11.392 -9.477 12.529 850 HB3 MET 100 2HB MET 100 -12.679 -8.331 12.178 851 HG2 MET 100 1HG MET 100 -13.241 -10.566 11.390 852 HG3 MET 100 2HG MET 100 -13.143 -9.407 10.059 853 HE1 MET 100 3HE MET 100 -11.387 -11.488 7.597 854 HE2 MET 100 1HE MET 100 -13.038 -11.456 8.262 855 HE3 MET 100 2HE MET 100 -12.171 -9.932 7.954 856 H ALA 101 H ALA 101 -12.559 -6.060 10.879 857 HA ALA 101 HA ALA 101 -13.333 -6.438 8.155 858 HB1 ALA 101 3HB ALA 101 -14.672 -5.143 9.776 859 HB2 ALA 101 1HB ALA 101 -13.382 -3.916 9.878 860 HB3 ALA 101 2HB ALA 101 -14.272 -4.153 8.350 861 H ALA 102 H ALA 102 -10.645 -4.652 9.650 862 HA ALA 102 HA ALA 102 -9.995 -3.212 7.213 863 HB1 ALA 102 3HB ALA 102 -9.467 -2.303 9.465 864 HB2 ALA 102 1HB ALA 102 -8.362 -3.667 9.754 865 HB3 ALA 102 2HB ALA 102 -8.002 -2.490 8.474 866 H VAL 103 H VAL 103 -9.067 -6.287 8.759 867 HA VAL 103 HA VAL 103 -6.768 -6.784 7.097 868 HB VAL 103 HB VAL 103 -8.715 -8.759 8.408 869 HG11 VAL 103 1HG1 VAL 103 -7.628 -9.965 6.658 870 HG12 VAL 103 2HG1 VAL 103 -6.073 -9.183 6.992 871 HG13 VAL 103 3HG1 VAL 103 -6.731 -10.360 8.137 872 HG21 VAL 103 3HG2 VAL 103 -7.451 -7.283 9.985 873 HG22 VAL 103 1HG2 VAL 103 -7.018 -8.987 10.151 874 HG23 VAL 103 2HG2 VAL 103 -5.932 -7.870 9.289 875 H ALA 104 H ALA 104 -10.225 -7.705 6.843 876 HA ALA 104 HA ALA 104 -9.981 -9.024 4.340 877 HB1 ALA 104 3HB ALA 104 -12.441 -8.675 4.187 878 HB2 ALA 104 1HB ALA 104 -11.946 -9.270 5.787 879 HB3 ALA 104 2HB ALA 104 -12.358 -7.552 5.566 880 H GLN 105 H GLN 105 -10.768 -5.602 5.127 881 HA GLN 105 HA GLN 105 -11.143 -4.799 2.421 882 HB2 GLN 105 1HB GLN 105 -10.389 -3.358 4.962 883 HB3 GLN 105 2HB GLN 105 -10.423 -2.514 3.399 884 HG2 GLN 105 1HG GLN 105 -12.765 -3.205 3.071 885 HG3 GLN 105 2HG GLN 105 -12.753 -3.986 4.654 886 HE21 GLN 105 2HE2 GLN 105 -14.603 -2.073 4.092 887 HE22 GLN 105 1HE2 GLN 105 -14.249 -0.616 4.993 888 H THR 106 H THR 106 -8.124 -5.082 4.377 889 HA THR 106 HA THR 106 -6.555 -3.699 2.385 890 HB THR 106 HB THR 106 -5.595 -5.805 4.375 891 HG1 THR 106 HG1 THR 106 -6.676 -4.110 5.442 892 HG21 THR 106 1HG2 THR 106 -3.482 -4.547 4.226 893 HG22 THR 106 2HG2 THR 106 -4.203 -3.474 3.015 894 HG23 THR 106 3HG2 THR 106 -3.945 -5.186 2.634 895 H GLU 107 H GLU 107 -7.478 -7.123 2.961 896 HA GLU 107 HA GLU 107 -5.899 -8.218 0.838 897 HB2 GLU 107 1HB GLU 107 -8.510 -9.135 2.090 898 HB3 GLU 107 2HB GLU 107 -7.626 -10.073 0.884 899 HG2 GLU 107 1HG GLU 107 -5.690 -10.204 2.349 900 HG3 GLU 107 2HG GLU 107 -6.495 -9.199 3.554 901 H GLU 108 H GLU 108 -9.203 -6.798 0.866 902 HA GLU 108 HA GLU 108 -9.808 -7.429 -1.874 903 HB2 GLU 108 1HB GLU 108 -10.754 -5.218 -0.022 904 HB3 GLU 108 2HB GLU 108 -11.400 -5.458 -1.646 905 HG2 GLU 108 1HG GLU 108 -12.208 -7.675 -1.042 906 HG3 GLU 108 2HG GLU 108 -11.513 -7.515 0.574 907 H ILE 109 H ILE 109 -8.426 -4.481 -0.359 908 HA ILE 109 HA ILE 109 -8.320 -2.966 -2.794 909 HB ILE 109 HB ILE 109 -6.758 -2.733 -0.182 910 HG12 ILE 109 1HG1 ILE 109 -8.944 -0.929 -1.272 911 HG13 ILE 109 2HG1 ILE 109 -9.332 -2.388 -0.365 912 HG21 ILE 109 1HG2 ILE 109 -6.848 -0.761 -2.540 913 HG22 ILE 109 2HG2 ILE 109 -6.179 -0.390 -0.936 914 HG23 ILE 109 3HG2 ILE 109 -5.413 -1.622 -1.946 915 HD11 ILE 109 3HD1 ILE 109 -7.957 -1.530 1.528 916 HD12 ILE 109 1HD1 ILE 109 -7.793 0.006 0.635 917 HD13 ILE 109 2HD1 ILE 109 -9.398 -0.569 1.137 918 H LEU 110 H LEU 110 -6.054 -5.248 -1.282 919 HA LEU 110 HA LEU 110 -3.832 -4.683 -2.971 920 HB2 LEU 110 1HB LEU 110 -4.736 -6.882 -1.209 921 HB3 LEU 110 2HB LEU 110 -3.586 -7.340 -2.455 922 HG LEU 110 HG LEU 110 -1.876 -6.068 -1.569 923 HD11 LEU 110 1HD1 LEU 110 -2.075 -4.358 0.236 924 HD12 LEU 110 2HD1 LEU 110 -3.841 -4.450 0.091 925 HD13 LEU 110 3HD1 LEU 110 -2.862 -3.866 -1.269 926 HD21 LEU 110 3HD2 LEU 110 -2.425 -7.974 -0.154 927 HD22 LEU 110 1HD2 LEU 110 -3.545 -6.975 0.796 928 HD23 LEU 110 2HD2 LEU 110 -1.796 -6.651 0.836 929 H LYS 111 H LYS 111 -6.729 -6.680 -3.591 930 HA LYS 111 HA LYS 111 -5.678 -7.895 -5.989 931 HB2 LYS 111 1HB LYS 111 -8.583 -7.190 -5.428 932 HB3 LYS 111 2HB LYS 111 -7.985 -8.441 -6.517 933 HG2 LYS 111 1HG LYS 111 -7.718 -8.445 -3.507 934 HG3 LYS 111 2HG LYS 111 -8.936 -9.333 -4.412 935 HD2 LYS 111 1HD LYS 111 -7.500 -10.979 -4.978 936 HD3 LYS 111 2HD LYS 111 -6.172 -9.852 -5.297 937 HE2 LYS 111 1HE LYS 111 -5.662 -11.351 -3.415 938 HE3 LYS 111 2HE LYS 111 -5.680 -9.643 -2.948 939 HZ1 LYS 111 3HZ LYS 111 -7.928 -11.499 -2.462 940 HZ2 LYS 111 1HZ LYS 111 -7.796 -9.935 -1.936 941 HZ3 LYS 111 2HZ LYS 111 -6.779 -11.091 -1.344 942 H SER 112 H SER 112 -7.245 -4.814 -5.293 943 HA SER 112 HA SER 112 -7.636 -4.227 -8.139 944 HB2 SER 112 1HB SER 112 -9.253 -3.475 -6.419 945 HB3 SER 112 2HB SER 112 -7.992 -2.469 -5.678 946 HG SER 112 HG SER 112 -9.001 -2.244 -8.330 947 H ASN 113 H ASN 113 -5.777 -2.720 -5.481 948 HA ASN 113 HA ASN 113 -4.138 -1.150 -5.467 949 HB2 ASN 113 1HB ASN 113 -3.199 -3.448 -6.898 950 HB3 ASN 113 2HB ASN 113 -2.426 -2.019 -7.585 951 HD21 ASN 113 2HD2 ASN 113 -3.430 -3.081 -4.333 952 HD22 ASN 113 1HD2 ASN 113 -1.901 -2.735 -3.565 953 H SER 114 H SER 114 -6.405 -0.488 -7.162 954 HA SER 114 HA SER 114 -5.272 1.135 -9.336 955 HB2 SER 114 1HB SER 114 -7.622 1.752 -9.737 956 HB3 SER 114 2HB SER 114 -7.457 -0.014 -9.641 957 HG SER 114 HG SER 114 -8.499 -0.039 -7.770 958 H GLN 115 H GLN 115 -6.161 3.493 -9.270 959 HA GLN 115 HA GLN 115 -5.944 5.550 -8.449 960 HB2 GLN 115 1HB GLN 115 -7.051 4.298 -5.941 961 HB3 GLN 115 2HB GLN 115 -7.086 5.981 -6.416 962 HG2 GLN 115 1HG GLN 115 -8.618 5.550 -8.213 963 HG3 GLN 115 2HG GLN 115 -8.489 3.803 -7.956 964 HE21 GLN 115 2HE2 GLN 115 -10.216 6.602 -7.184 965 HE22 GLN 115 1HE2 GLN 115 -11.173 5.935 -5.885 966 H THR 116 H THR 116 -3.711 3.544 -7.980 967 HA THR 116 HA THR 116 -2.423 4.308 -5.516 968 HB THR 116 HB THR 116 -0.448 3.225 -7.065 969 HG1 THR 116 HG1 THR 116 -2.370 1.590 -8.049 970 HG21 THR 116 1HG2 THR 116 -1.186 1.000 -6.251 971 HG22 THR 116 2HG2 THR 116 -2.753 1.707 -5.787 972 HG23 THR 116 3HG2 THR 116 -1.260 2.242 -4.982 973 H ASP 117 H ASP 117 -0.717 5.673 -5.198 974 HA ASP 117 HA ASP 117 0.715 6.948 -7.396 975 HB2 ASP 117 1HB ASP 117 -1.390 8.416 -6.961 976 HB3 ASP 117 2HB ASP 117 -0.669 8.755 -5.379 977 H LEU 118 H LEU 118 2.607 8.145 -6.321 978 HA LEU 118 HA LEU 118 3.103 6.990 -3.598 979 HB2 LEU 118 1HB LEU 118 5.116 7.217 -5.825 980 HB3 LEU 118 2HB LEU 118 5.409 6.558 -4.227 981 HG LEU 118 HG LEU 118 3.533 5.320 -6.274 982 HD11 LEU 118 1HD1 LEU 118 5.312 3.667 -6.630 983 HD12 LEU 118 2HD1 LEU 118 6.375 4.541 -5.504 984 HD13 LEU 118 3HD1 LEU 118 5.878 5.297 -7.038 985 HD21 LEU 118 3HD2 LEU 118 3.660 3.324 -4.821 986 HD22 LEU 118 1HD2 LEU 118 2.962 4.706 -3.957 987 HD23 LEU 118 2HD2 LEU 118 4.650 4.229 -3.653 988 H GLU 119 H GLU 119 4.014 8.200 -2.132 989 HA GLU 119 HA GLU 119 5.143 10.869 -2.902 990 HB2 GLU 119 1HB GLU 119 2.920 11.306 -2.112 991 HB3 GLU 119 2HB GLU 119 3.091 10.166 -0.783 992 HG2 GLU 119 1HG GLU 119 3.135 12.404 0.104 993 HG3 GLU 119 2HG GLU 119 4.727 11.677 0.315 994 H HIS 120 H HIS 120 6.874 11.549 -1.667 995 HA HIS 120 HA HIS 120 7.908 9.571 0.337 996 HB2 HIS 120 1HB HIS 120 9.652 11.039 -1.657 997 HB3 HIS 120 2HB HIS 120 10.106 9.714 -0.577 998 HD1 HIS 120 HD1 HIS 120 8.051 7.548 -1.139 999 HD2 HIS 120 HD2 HIS 120 9.583 10.001 -4.180 1000 HE1 HIS 120 HE1 HIS 120 7.711 6.308 -3.337 1001 H HIS 121 H HIS 121 6.933 12.758 -0.155 1002 HA HIS 121 HA HIS 121 8.868 14.178 1.461 1003 HB2 HIS 121 1HB HIS 121 5.882 14.616 1.010 1004 HB3 HIS 121 2HB HIS 121 6.873 15.682 2.008 1005 HD1 HIS 121 HD1 HIS 121 5.658 15.305 -1.394 1006 HD2 HIS 121 HD2 HIS 121 9.140 16.853 0.394 1007 HE1 HIS 121 HE1 HIS 121 6.773 16.841 -3.107 1008 H HIS 122 H HIS 122 8.988 14.461 3.683 1009 HA HIS 122 HA HIS 122 6.889 13.292 5.384 1010 HB2 HIS 122 1HB HIS 122 8.582 12.039 6.747 1011 HB3 HIS 122 2HB HIS 122 8.323 11.356 5.137 1012 HD1 HIS 122 HD1 HIS 122 10.274 11.608 3.344 1013 HD2 HIS 122 HD2 HIS 122 11.202 12.941 7.233 1014 HE1 HIS 122 HE1 HIS 122 12.811 11.872 3.468 1015 H HIS 123 H HIS 123 6.879 14.273 7.429 1016 HA HIS 123 HA HIS 123 8.616 16.710 7.571 1017 HB2 HIS 123 1HB HIS 123 5.822 16.221 8.663 1018 HB3 HIS 123 2HB HIS 123 6.788 17.666 8.985 1019 HD1 HIS 123 HD1 HIS 123 7.364 19.235 6.853 1020 HD2 HIS 123 HD2 HIS 123 4.433 16.292 6.244 1021 HE1 HIS 123 HE1 HIS 123 6.104 19.866 4.727 1022 H HIS 124 H HIS 124 7.579 13.830 9.283 1023 HA HIS 124 HA HIS 124 8.733 14.614 11.838 1024 HB2 HIS 124 1HB HIS 124 7.431 12.248 10.678 1025 HB3 HIS 124 2HB HIS 124 8.900 11.800 11.550 1026 HD1 HIS 124 HD1 HIS 124 6.028 10.964 12.560 1027 HD2 HIS 124 HD2 HIS 124 8.203 14.309 13.912 1028 HE1 HIS 124 HE1 HIS 124 5.149 11.551 14.872 1029 H HIS 125 H HIS 125 10.717 13.617 12.641 1030 HA HIS 125 HA HIS 125 12.673 12.734 10.573 1031 HB2 HIS 125 1HB HIS 125 13.117 14.559 12.999 1032 HB3 HIS 125 2HB HIS 125 14.411 13.670 12.191 1033 HD1 HIS 125 HD1 HIS 125 11.730 16.273 11.191 1034 HD2 HIS 125 HD2 HIS 125 15.659 15.140 10.280 1035 HE1 HIS 125 HE1 HIS 125 12.620 17.973 9.511 Start of MODEL 9 1 H21 MYR 1 1H2 MYR 1 0.820 -0.386 -0.873 2 H22 MYR 1 2H2 MYR 1 2.164 -0.725 0.210 3 H31 MYR 1 1H3 MYR 1 -0.641 -1.952 0.558 4 H32 MYR 1 2H3 MYR 1 0.635 -2.732 -0.375 5 H41 MYR 1 1H4 MYR 1 2.111 -2.797 1.643 6 H42 MYR 1 2H4 MYR 1 0.875 -1.985 2.602 7 H51 MYR 1 1H5 MYR 1 -0.666 -3.884 2.364 8 H52 MYR 1 2H5 MYR 1 0.399 -4.675 1.208 9 H61 MYR 1 1H6 MYR 1 1.560 -5.692 2.838 10 H62 MYR 1 2H6 MYR 1 2.006 -4.177 3.579 11 H71 MYR 1 1H7 MYR 1 -0.712 -5.501 4.131 12 H72 MYR 1 2H7 MYR 1 0.745 -5.933 5.013 13 H81 MYR 1 1H8 MYR 1 1.019 -3.429 5.593 14 H82 MYR 1 2H8 MYR 1 -0.608 -3.174 4.974 15 H91 MYR 1 1H9 MYR 1 -0.281 -3.552 7.537 16 H92 MYR 1 2H9 MYR 1 0.032 -5.233 7.163 17 H101 MYR 1 1H10 MYR 1 -2.292 -5.332 6.056 18 H102 MYR 1 2H10 MYR 1 -2.568 -3.679 6.617 19 H111 MYR 1 1H11 MYR 1 -1.991 -6.142 8.364 20 H112 MYR 1 2H11 MYR 1 -2.092 -4.497 9.000 21 H121 MYR 1 1H12 MYR 1 -4.454 -4.309 8.299 22 H122 MYR 1 2H12 MYR 1 -4.396 -5.897 7.527 23 H131 MYR 1 1H13 MYR 1 -4.055 -7.027 9.676 24 H132 MYR 1 2H13 MYR 1 -3.805 -5.501 10.522 25 H141 MYR 1 1H14 MYR 1 -6.443 -6.274 9.175 26 H142 MYR 1 2H14 MYR 1 -6.096 -6.476 10.900 27 H143 MYR 1 3H14 MYR 1 -6.146 -4.853 10.192 28 H GLY 2 H GLY 2 2.420 0.619 1.853 29 HA2 GLY 2 1HA GLY 2 0.384 1.669 3.542 30 HA3 GLY 2 2HA GLY 2 2.047 2.276 3.420 31 H GLN 3 H GLN 3 2.107 3.043 0.721 32 HA GLN 3 HA GLN 3 0.810 5.592 0.925 33 HB2 GLN 3 1HB GLN 3 1.777 6.070 -1.181 34 HB3 GLN 3 2HB GLN 3 2.926 5.060 -0.312 35 HG2 GLN 3 1HG GLN 3 3.067 3.971 -2.297 36 HG3 GLN 3 2HG GLN 3 1.635 3.118 -1.711 37 HE21 GLN 3 2HE2 GLN 3 0.378 2.808 -3.495 38 HE22 GLN 3 1HE2 GLN 3 -0.065 4.059 -4.625 39 H GLU 4 H GLU 4 -0.295 2.520 -0.343 40 HA GLU 4 HA GLU 4 -2.405 3.722 -1.985 41 HB2 GLU 4 1HB GLU 4 -1.262 1.670 -2.655 42 HB3 GLU 4 2HB GLU 4 -1.726 0.877 -1.153 43 HG2 GLU 4 1HG GLU 4 -3.108 0.100 -2.922 44 HG3 GLU 4 2HG GLU 4 -4.086 1.031 -1.783 45 H LEU 5 H LEU 5 -2.129 1.892 1.088 46 HA LEU 5 HA LEU 5 -4.942 1.682 1.502 47 HB2 LEU 5 1HB LEU 5 -2.599 1.602 3.412 48 HB3 LEU 5 2HB LEU 5 -4.254 1.261 3.904 49 HG LEU 5 HG LEU 5 -2.731 -0.304 1.791 50 HD11 LEU 5 1HD1 LEU 5 -2.506 -2.052 3.508 51 HD12 LEU 5 2HD1 LEU 5 -3.260 -0.978 4.708 52 HD13 LEU 5 3HD1 LEU 5 -1.685 -0.556 3.989 53 HD21 LEU 5 3HD2 LEU 5 -5.364 -0.893 3.190 54 HD22 LEU 5 1HD2 LEU 5 -4.496 -2.005 2.110 55 HD23 LEU 5 2HD2 LEU 5 -5.138 -0.484 1.476 56 H SER 6 H SER 6 -2.585 4.165 2.664 57 HA SER 6 HA SER 6 -4.435 5.809 4.002 58 HB2 SER 6 1HB SER 6 -2.828 7.647 3.430 59 HB3 SER 6 2HB SER 6 -2.064 6.209 4.122 60 HG SER 6 HG SER 6 -2.215 6.786 1.344 61 H GLN 7 H GLN 7 -4.276 5.320 0.506 62 HA GLN 7 HA GLN 7 -5.654 7.923 0.045 63 HB2 GLN 7 1HB GLN 7 -4.689 5.733 -1.829 64 HB3 GLN 7 2HB GLN 7 -5.593 7.158 -2.356 65 HG2 GLN 7 1HG GLN 7 -3.816 8.620 -1.492 66 HG3 GLN 7 2HG GLN 7 -2.899 7.201 -0.982 67 HE21 GLN 7 2HE2 GLN 7 -1.643 6.144 -2.434 68 HE22 GLN 7 1HE2 GLN 7 -1.550 6.557 -4.133 69 H HIS 8 H HIS 8 -6.328 4.585 0.584 70 HA HIS 8 HA HIS 8 -8.946 4.683 -0.773 71 HB2 HIS 8 1HB HIS 8 -7.218 2.648 0.520 72 HB3 HIS 8 2HB HIS 8 -8.943 2.411 0.778 73 HD1 HIS 8 HD1 HIS 8 -6.396 2.695 -2.095 74 HD2 HIS 8 HD2 HIS 8 -10.334 1.396 -1.391 75 HE1 HIS 8 HE1 HIS 8 -7.182 1.545 -4.203 76 H GLU 9 H GLU 9 -10.056 6.374 0.311 77 HA GLU 9 HA GLU 9 -10.117 6.768 3.085 78 HB2 GLU 9 1HB GLU 9 -12.287 7.302 1.044 79 HB3 GLU 9 2HB GLU 9 -12.273 7.932 2.699 80 HG2 GLU 9 1HG GLU 9 -10.057 9.007 2.193 81 HG3 GLU 9 2HG GLU 9 -10.280 8.534 0.497 82 H ARG 10 H ARG 10 -12.033 4.468 1.207 83 HA ARG 10 HA ARG 10 -13.957 3.704 3.156 84 HB2 ARG 10 1HB ARG 10 -13.873 2.966 0.765 85 HB3 ARG 10 2HB ARG 10 -12.451 1.989 1.134 86 HG2 ARG 10 1HG ARG 10 -13.828 0.603 2.679 87 HG3 ARG 10 2HG ARG 10 -15.261 1.541 2.215 88 HD2 ARG 10 1HD ARG 10 -15.012 0.863 -0.108 89 HD3 ARG 10 2HD ARG 10 -13.462 0.093 0.233 90 HE ARG 10 HE ARG 10 -16.131 -0.919 1.099 91 HH11 ARG 10 1HH1 ARG 10 -12.702 -1.583 0.489 92 HH12 ARG 10 2HH1 ARG 10 -12.946 -3.318 0.627 93 HH21 ARG 10 1HH2 ARG 10 -16.295 -3.153 1.263 94 HH22 ARG 10 2HH2 ARG 10 -14.875 -4.159 1.037 95 H TYR 11 H TYR 11 -10.558 2.810 2.766 96 HA TYR 11 HA TYR 11 -10.619 0.854 4.941 97 HB2 TYR 11 1HB TYR 11 -9.193 0.684 2.887 98 HB3 TYR 11 2HB TYR 11 -8.293 2.100 3.424 99 HD1 TYR 11 HD2 TYR 11 -9.191 -1.392 4.398 100 HD2 TYR 11 HD1 TYR 11 -6.455 1.875 4.906 101 HE1 TYR 11 HE2 TYR 11 -7.651 -2.886 5.663 102 HE2 TYR 11 HE1 TYR 11 -4.911 0.375 6.175 103 HH TYR 11 HH TYR 11 -4.513 -1.746 6.925 104 H VAL 12 H VAL 12 -9.375 4.162 4.321 105 HA VAL 12 HA VAL 12 -8.025 4.505 6.780 106 HB VAL 12 HB VAL 12 -9.392 6.591 5.025 107 HG11 VAL 12 1HG1 VAL 12 -7.838 8.224 6.117 108 HG12 VAL 12 2HG1 VAL 12 -9.039 7.562 7.240 109 HG13 VAL 12 3HG1 VAL 12 -7.366 6.959 7.277 110 HG21 VAL 12 3HG2 VAL 12 -6.476 5.733 5.218 111 HG22 VAL 12 1HG2 VAL 12 -7.585 5.283 3.914 112 HG23 VAL 12 2HG2 VAL 12 -7.140 6.980 4.138 113 H GLU 13 H GLU 13 -11.487 5.236 5.990 114 HA GLU 13 HA GLU 13 -12.048 6.464 8.510 115 HB2 GLU 13 1HB GLU 13 -13.781 4.927 6.556 116 HB3 GLU 13 2HB GLU 13 -14.429 5.628 8.039 117 HG2 GLU 13 1HG GLU 13 -13.051 7.190 5.832 118 HG3 GLU 13 2HG GLU 13 -14.801 7.060 6.061 119 H GLN 14 H GLN 14 -12.067 3.038 7.512 120 HA GLN 14 HA GLN 14 -13.177 2.151 10.024 121 HB2 GLN 14 1HB GLN 14 -13.464 0.338 8.761 122 HB3 GLN 14 2HB GLN 14 -12.590 1.123 7.459 123 HG2 GLN 14 1HG GLN 14 -11.640 -1.020 7.802 124 HG3 GLN 14 2HG GLN 14 -10.477 0.198 8.328 125 HE21 GLN 14 2HE2 GLN 14 -13.344 -1.244 9.887 126 HE22 GLN 14 1HE2 GLN 14 -12.478 -1.858 11.277 127 H LEU 15 H LEU 15 -9.909 2.618 8.672 128 HA LEU 15 HA LEU 15 -8.500 1.502 10.901 129 HB2 LEU 15 1HB LEU 15 -7.880 3.085 8.496 130 HB3 LEU 15 2HB LEU 15 -6.796 3.378 9.837 131 HG LEU 15 HG LEU 15 -6.162 1.637 8.053 132 HD11 LEU 15 1HD1 LEU 15 -5.967 1.025 11.014 133 HD12 LEU 15 2HD1 LEU 15 -4.884 2.064 10.056 134 HD13 LEU 15 3HD1 LEU 15 -4.946 0.318 9.742 135 HD21 LEU 15 3HD2 LEU 15 -7.930 -0.143 9.784 136 HD22 LEU 15 1HD2 LEU 15 -6.807 -0.675 8.527 137 HD23 LEU 15 2HD2 LEU 15 -8.223 0.289 8.082 138 H LYS 16 H LYS 16 -10.059 4.625 10.489 139 HA LYS 16 HA LYS 16 -8.576 6.025 12.528 140 HB2 LYS 16 1HB LYS 16 -11.467 6.282 11.630 141 HB3 LYS 16 2HB LYS 16 -10.731 7.338 12.828 142 HG2 LYS 16 1HG LYS 16 -9.128 8.171 11.183 143 HG3 LYS 16 2HG LYS 16 -9.770 7.057 9.972 144 HD2 LYS 16 1HD LYS 16 -12.004 8.132 10.226 145 HD3 LYS 16 2HD LYS 16 -11.261 9.336 11.291 146 HE2 LYS 16 1HE LYS 16 -9.739 10.013 9.452 147 HE3 LYS 16 2HE LYS 16 -10.474 8.785 8.399 148 HZ1 LYS 16 3HZ LYS 16 -12.563 9.934 8.526 149 HZ2 LYS 16 1HZ LYS 16 -11.409 10.997 8.031 150 HZ3 LYS 16 2HZ LYS 16 -11.963 11.055 9.585 151 H GLN 17 H GLN 17 -11.110 3.570 12.625 152 HA GLN 17 HA GLN 17 -11.535 3.902 15.501 153 HB2 GLN 17 1HB GLN 17 -12.154 1.513 13.722 154 HB3 GLN 17 2HB GLN 17 -12.782 1.810 15.341 155 HG2 GLN 17 1HG GLN 17 -13.996 3.793 14.503 156 HG3 GLN 17 2HG GLN 17 -13.352 3.502 12.878 157 HE21 GLN 17 2HE2 GLN 17 -15.584 3.392 12.191 158 HE22 GLN 17 1HE2 GLN 17 -16.469 1.902 12.411 159 H ALA 18 H ALA 18 -9.784 1.608 13.348 160 HA ALA 18 HA ALA 18 -8.830 -0.065 15.395 161 HB1 ALA 18 3HB ALA 18 -7.494 0.593 12.737 162 HB2 ALA 18 1HB ALA 18 -7.187 -0.842 13.743 163 HB3 ALA 18 2HB ALA 18 -8.782 -0.614 12.982 164 H LEU 19 H LEU 19 -7.230 2.876 14.031 165 HA LEU 19 HA LEU 19 -4.803 2.566 15.509 166 HB2 LEU 19 1HB LEU 19 -6.159 4.763 14.036 167 HB3 LEU 19 2HB LEU 19 -5.127 5.294 15.360 168 HG LEU 19 HG LEU 19 -3.362 3.685 14.277 169 HD11 LEU 19 1HD1 LEU 19 -5.132 4.343 11.897 170 HD12 LEU 19 2HD1 LEU 19 -4.731 2.728 12.518 171 HD13 LEU 19 3HD1 LEU 19 -3.459 3.737 11.777 172 HD21 LEU 19 3HD2 LEU 19 -4.032 6.377 13.059 173 HD22 LEU 19 1HD2 LEU 19 -2.463 5.539 12.938 174 HD23 LEU 19 2HD2 LEU 19 -3.060 6.100 14.520 175 H LYS 20 H LYS 20 -7.913 4.083 16.393 176 HA LYS 20 HA LYS 20 -6.868 5.127 18.908 177 HB2 LYS 20 1HB LYS 20 -9.702 4.694 17.890 178 HB3 LYS 20 2HB LYS 20 -9.307 5.503 19.409 179 HG2 LYS 20 1HG LYS 20 -8.179 7.297 18.222 180 HG3 LYS 20 2HG LYS 20 -8.422 6.463 16.673 181 HD2 LYS 20 1HD LYS 20 -10.888 6.546 17.055 182 HD3 LYS 20 2HD LYS 20 -10.600 7.490 18.531 183 HE2 LYS 20 1HE LYS 20 -9.500 9.249 17.174 184 HE3 LYS 20 2HE LYS 20 -9.808 8.292 15.705 185 HZ1 LYS 20 3HZ LYS 20 -11.515 9.984 16.047 186 HZ2 LYS 20 1HZ LYS 20 -11.905 9.353 17.521 187 HZ3 LYS 20 2HZ LYS 20 -12.181 8.478 16.152 188 H THR 21 H THR 21 -8.694 2.205 17.977 189 HA THR 21 HA THR 21 -9.450 1.540 20.660 190 HB THR 21 HB THR 21 -9.824 -0.791 19.689 191 HG1 THR 21 HG1 THR 21 -9.196 0.521 17.243 192 HG21 THR 21 1HG2 THR 21 -11.045 1.711 18.496 193 HG22 THR 21 2HG2 THR 21 -11.745 0.555 19.649 194 HG23 THR 21 3HG2 THR 21 -11.540 0.105 17.940 195 H ARG 22 H ARG 22 -6.404 1.099 18.996 196 HA ARG 22 HA ARG 22 -5.509 -1.013 20.779 197 HB2 ARG 22 1HB ARG 22 -4.549 -0.294 18.457 198 HB3 ARG 22 2HB ARG 22 -3.670 0.932 19.378 199 HG2 ARG 22 1HG ARG 22 -2.138 -0.857 19.220 200 HG3 ARG 22 2HG ARG 22 -2.828 -1.060 20.835 201 HD2 ARG 22 1HD ARG 22 -4.574 -2.545 19.359 202 HD3 ARG 22 2HD ARG 22 -3.093 -2.749 18.415 203 HE ARG 22 HE ARG 22 -2.081 -3.921 20.199 204 HH11 ARG 22 1HH1 ARG 22 -5.325 -2.839 21.166 205 HH12 ARG 22 2HH1 ARG 22 -5.345 -3.891 22.550 206 HH21 ARG 22 1HH2 ARG 22 -2.211 -5.238 21.948 207 HH22 ARG 22 2HH2 ARG 22 -3.619 -5.215 22.988 208 H GLY 23 H GLY 23 -6.001 2.383 21.115 209 HA2 GLY 23 1HA GLY 23 -5.788 3.661 23.034 210 HA3 GLY 23 2HA GLY 23 -5.008 2.296 23.851 211 H VAL 24 H VAL 24 -3.440 2.660 20.982 212 HA VAL 24 HA VAL 24 -1.166 3.936 22.352 213 HB VAL 24 HB VAL 24 -1.344 2.601 19.603 214 HG11 VAL 24 1HG1 VAL 24 0.544 4.207 19.779 215 HG12 VAL 24 2HG1 VAL 24 1.093 3.400 21.268 216 HG13 VAL 24 3HG1 VAL 24 1.126 2.534 19.716 217 HG21 VAL 24 3HG2 VAL 24 -1.778 0.986 21.419 218 HG22 VAL 24 1HG2 VAL 24 -0.186 0.692 20.707 219 HG23 VAL 24 2HG2 VAL 24 -0.318 1.523 22.274 220 H LYS 25 H LYS 25 -0.465 5.964 21.907 221 HA LYS 25 HA LYS 25 -2.081 7.605 20.068 222 HB2 LYS 25 1HB LYS 25 0.308 8.241 21.851 223 HB3 LYS 25 2HB LYS 25 -0.559 9.434 20.871 224 HG2 LYS 25 1HG LYS 25 -2.646 8.935 22.111 225 HG3 LYS 25 2HG LYS 25 -1.769 7.791 23.136 226 HD2 LYS 25 1HD LYS 25 -0.989 10.723 22.885 227 HD3 LYS 25 2HD LYS 25 -2.150 10.143 24.088 228 HE2 LYS 25 1HE LYS 25 0.716 9.126 23.856 229 HE3 LYS 25 2HE LYS 25 0.187 10.399 24.972 230 HZ1 LYS 25 3HZ LYS 25 0.252 8.227 26.049 231 HZ2 LYS 25 1HZ LYS 25 -0.845 7.614 24.979 232 HZ3 LYS 25 2HZ LYS 25 -1.291 8.807 26.027 233 H VAL 26 H VAL 26 -1.561 6.511 18.105 234 HA VAL 26 HA VAL 26 1.231 6.978 17.124 235 HB VAL 26 HB VAL 26 0.150 5.414 15.185 236 HG11 VAL 26 1HG1 VAL 26 1.426 4.451 17.768 237 HG12 VAL 26 2HG1 VAL 26 1.285 3.489 16.280 238 HG13 VAL 26 3HG1 VAL 26 2.261 4.970 16.291 239 HG21 VAL 26 3HG2 VAL 26 -1.137 4.341 17.733 240 HG22 VAL 26 1HG2 VAL 26 -2.017 5.194 16.441 241 HG23 VAL 26 2HG2 VAL 26 -1.222 3.645 16.110 242 H LYS 27 H LYS 27 1.571 7.949 15.164 243 HA LYS 27 HA LYS 27 -0.593 9.766 14.298 244 HB2 LYS 27 1HB LYS 27 1.838 10.465 14.601 245 HB3 LYS 27 2HB LYS 27 2.235 9.456 13.207 246 HG2 LYS 27 1HG LYS 27 0.712 10.855 11.804 247 HG3 LYS 27 2HG LYS 27 0.397 11.876 13.224 248 HD2 LYS 27 1HD LYS 27 2.871 12.326 13.374 249 HD3 LYS 27 2HD LYS 27 3.087 11.409 11.873 250 HE2 LYS 27 1HE LYS 27 3.043 13.719 11.260 251 HE3 LYS 27 2HE LYS 27 1.486 13.036 10.754 252 HZ1 LYS 27 3HZ LYS 27 0.501 13.994 12.768 253 HZ2 LYS 27 1HZ LYS 27 1.210 15.173 11.858 254 HZ3 LYS 27 2HZ LYS 27 1.956 14.625 13.223 255 H PHE 28 H PHE 28 -1.810 9.385 12.487 256 HA PHE 28 HA PHE 28 -1.968 6.851 11.293 257 HB2 PHE 28 1HB PHE 28 -3.178 9.442 11.015 258 HB3 PHE 28 2HB PHE 28 -2.697 8.937 9.395 259 HD1 PHE 28 HD2 PHE 28 -3.450 6.585 8.604 260 HD2 PHE 28 HD1 PHE 28 -5.158 8.655 11.960 261 HE1 PHE 28 HE2 PHE 28 -5.491 5.163 8.434 262 HE2 PHE 28 HE1 PHE 28 -7.188 7.260 11.794 263 HZ PHE 28 HZ PHE 28 -7.377 5.526 10.017 264 H ALA 29 H ALA 29 -0.331 9.755 9.978 265 HA ALA 29 HA ALA 29 0.496 8.570 7.563 266 HB1 ALA 29 3HB ALA 29 2.173 10.382 7.481 267 HB2 ALA 29 1HB ALA 29 0.594 11.004 8.010 268 HB3 ALA 29 2HB ALA 29 1.895 10.736 9.202 269 H ASP 30 H ASP 30 1.990 8.477 10.806 270 HA ASP 30 HA ASP 30 4.414 7.240 9.819 271 HB2 ASP 30 1HB ASP 30 4.215 8.606 11.946 272 HB3 ASP 30 2HB ASP 30 3.361 7.229 12.662 273 H LEU 31 H LEU 31 1.340 6.036 11.282 274 HA LEU 31 HA LEU 31 2.319 3.385 11.573 275 HB2 LEU 31 1HB LEU 31 -0.023 4.609 12.242 276 HB3 LEU 31 2HB LEU 31 -0.539 3.561 10.899 277 HG LEU 31 HG LEU 31 1.034 2.683 13.373 278 HD11 LEU 31 1HD1 LEU 31 -0.978 1.575 14.096 279 HD12 LEU 31 2HD1 LEU 31 -1.842 2.137 12.647 280 HD13 LEU 31 3HD1 LEU 31 -1.273 3.306 13.863 281 HD21 LEU 31 3HD2 LEU 31 1.597 1.175 11.575 282 HD22 LEU 31 1HD2 LEU 31 -0.107 1.036 11.089 283 HD23 LEU 31 2HD2 LEU 31 0.444 0.351 12.636 284 H LEU 32 H LEU 32 0.399 4.921 9.005 285 HA LEU 32 HA LEU 32 0.386 2.723 7.197 286 HB2 LEU 32 1HB LEU 32 0.179 5.695 6.923 287 HB3 LEU 32 2HB LEU 32 0.469 4.755 5.465 288 HG LEU 32 HG LEU 32 -1.898 5.283 5.841 289 HD11 LEU 32 1HD1 LEU 32 -1.416 2.314 6.047 290 HD12 LEU 32 2HD1 LEU 32 -1.216 3.260 4.573 291 HD13 LEU 32 3HD1 LEU 32 -2.811 3.133 5.318 292 HD21 LEU 32 3HD2 LEU 32 -1.886 5.129 8.250 293 HD22 LEU 32 1HD2 LEU 32 -1.815 3.364 8.101 294 HD23 LEU 32 2HD2 LEU 32 -3.209 4.256 7.430 295 H LYS 33 H LYS 33 2.972 5.133 7.755 296 HA LYS 33 HA LYS 33 4.472 4.390 5.459 297 HB2 LYS 33 1HB LYS 33 5.979 5.850 6.189 298 HB3 LYS 33 2HB LYS 33 4.708 6.332 7.255 299 HG2 LYS 33 1HG LYS 33 6.285 6.203 8.836 300 HG3 LYS 33 2HG LYS 33 5.920 4.481 8.821 301 HD2 LYS 33 1HD LYS 33 7.766 4.260 7.055 302 HD3 LYS 33 2HD LYS 33 8.232 5.910 7.523 303 HE2 LYS 33 1HE LYS 33 7.994 3.496 9.367 304 HE3 LYS 33 2HE LYS 33 9.510 4.226 8.805 305 HZ1 LYS 33 3HZ LYS 33 8.863 4.944 11.054 306 HZ2 LYS 33 1HZ LYS 33 7.476 5.621 10.478 307 HZ3 LYS 33 2HZ LYS 33 8.940 6.227 10.023 308 H PHE 34 H PHE 34 4.116 2.697 8.556 309 HA PHE 34 HA PHE 34 6.441 0.999 8.010 310 HB2 PHE 34 1HB PHE 34 4.158 0.779 9.988 311 HB3 PHE 34 2HB PHE 34 5.402 -0.472 9.811 312 HD1 PHE 34 HD2 PHE 34 7.817 0.091 10.216 313 HD2 PHE 34 HD1 PHE 34 4.619 2.778 11.221 314 HE1 PHE 34 HE2 PHE 34 9.358 1.359 11.700 315 HE2 PHE 34 HE1 PHE 34 6.150 4.078 12.681 316 HZ PHE 34 HZ PHE 34 8.526 3.373 12.930 317 H PHE 35 H PHE 35 3.023 1.031 7.130 318 HA PHE 35 HA PHE 35 3.027 -1.722 6.165 319 HB2 PHE 35 1HB PHE 35 1.256 0.622 5.385 320 HB3 PHE 35 2HB PHE 35 0.985 -1.057 4.937 321 HD1 PHE 35 HD1 PHE 35 2.142 -1.563 8.157 322 HD2 PHE 35 HD2 PHE 35 -1.199 0.265 6.138 323 HE1 PHE 35 HE1 PHE 35 0.763 -1.835 10.180 324 HE2 PHE 35 HE2 PHE 35 -2.584 -0.014 8.185 325 HZ PHE 35 HZ PHE 35 -1.608 -1.086 10.207 326 H ASP 36 H ASP 36 3.989 1.445 4.937 327 HA ASP 36 HA ASP 36 4.287 0.590 2.177 328 HB2 ASP 36 1HB ASP 36 4.309 3.017 3.461 329 HB3 ASP 36 2HB ASP 36 6.041 2.765 3.207 330 H PHE 37 H PHE 37 6.311 0.687 5.071 331 HA PHE 37 HA PHE 37 8.761 -0.105 3.819 332 HB2 PHE 37 1HB PHE 37 8.528 0.910 6.093 333 HB3 PHE 37 2HB PHE 37 7.834 -0.606 6.671 334 HD1 PHE 37 HD2 PHE 37 10.893 0.638 4.848 335 HD2 PHE 37 HD1 PHE 37 9.253 -2.150 7.689 336 HE1 PHE 37 HE2 PHE 37 13.184 -0.222 5.324 337 HE2 PHE 37 HE1 PHE 37 11.541 -3.014 8.170 338 HZ PHE 37 HZ PHE 37 13.512 -2.046 6.988 339 H VAL 38 H VAL 38 5.925 -1.943 4.960 340 HA VAL 38 HA VAL 38 7.112 -4.552 4.821 341 HB VAL 38 HB VAL 38 4.255 -3.762 4.015 342 HG11 VAL 38 1HG1 VAL 38 3.749 -6.213 4.512 343 HG12 VAL 38 2HG1 VAL 38 4.719 -5.932 3.058 344 HG13 VAL 38 3HG1 VAL 38 5.504 -6.492 4.549 345 HG21 VAL 38 3HG2 VAL 38 5.359 -4.777 6.594 346 HG22 VAL 38 1HG2 VAL 38 4.652 -3.191 6.258 347 HG23 VAL 38 2HG2 VAL 38 3.631 -4.627 6.190 348 H LYS 39 H LYS 39 5.405 -2.515 2.393 349 HA LYS 39 HA LYS 39 5.522 -4.580 0.497 350 HB2 LYS 39 1HB LYS 39 3.960 -2.649 0.388 351 HB3 LYS 39 2HB LYS 39 5.305 -1.589 -0.048 352 HG2 LYS 39 1HG LYS 39 5.639 -2.787 -2.148 353 HG3 LYS 39 2HG LYS 39 4.432 -4.000 -1.683 354 HD2 LYS 39 1HD LYS 39 2.714 -2.201 -1.609 355 HD3 LYS 39 2HD LYS 39 3.914 -1.053 -2.227 356 HE2 LYS 39 1HE LYS 39 3.188 -3.631 -3.663 357 HE3 LYS 39 2HE LYS 39 2.294 -2.125 -3.909 358 HZ1 LYS 39 3HZ LYS 39 4.211 -1.102 -4.812 359 HZ2 LYS 39 1HZ LYS 39 4.061 -2.556 -5.570 360 HZ3 LYS 39 2HZ LYS 39 5.202 -2.358 -4.390 361 H ASP 40 H ASP 40 7.698 -1.830 1.092 362 HA ASP 40 HA ASP 40 9.285 -2.229 -1.264 363 HB2 ASP 40 1HB ASP 40 9.086 -0.293 0.687 364 HB3 ASP 40 2HB ASP 40 10.648 -1.030 1.070 365 H THR 41 H THR 41 9.326 -3.790 1.877 366 HA THR 41 HA THR 41 12.000 -4.978 1.340 367 HB THR 41 HB THR 41 10.237 -5.483 3.784 368 HG1 THR 41 HG1 THR 41 10.495 -3.292 3.761 369 HG21 THR 41 1HG2 THR 41 13.237 -5.574 3.288 370 HG22 THR 41 2HG2 THR 41 12.169 -6.969 3.576 371 HG23 THR 41 3HG2 THR 41 12.464 -5.786 4.869 372 H CYS 42 H CYS 42 8.583 -5.842 1.546 373 HA CYS 42 HA CYS 42 9.240 -8.684 0.859 374 HB2 CYS 42 1HB CYS 42 6.725 -7.732 2.257 375 HB3 CYS 42 2HB CYS 42 7.388 -9.370 2.182 376 HG CYS 42 HG CYS 42 8.540 -6.693 3.706 377 HA PRO 43 HA PRO 43 6.711 -6.620 -2.414 378 HB2 PRO 43 1HB PRO 43 7.884 -7.693 -4.636 379 HB3 PRO 43 2HB PRO 43 8.593 -6.301 -3.753 380 HG2 PRO 43 1HG PRO 43 9.272 -9.231 -3.504 381 HG3 PRO 43 2HG PRO 43 10.372 -7.841 -3.771 382 HD2 PRO 43 1HD PRO 43 9.964 -8.870 -1.303 383 HD3 PRO 43 2HD PRO 43 10.154 -7.095 -1.554 384 H TRP 44 H TRP 44 7.488 -9.955 -1.753 385 HA TRP 44 HA TRP 44 5.449 -11.061 -3.494 386 HB2 TRP 44 1HB TRP 44 5.908 -13.085 -1.874 387 HB3 TRP 44 2HB TRP 44 7.087 -12.605 -3.100 388 HD1 TRP 44 HD1 TRP 44 6.509 -11.547 0.620 389 HE1 TRP 44 HE1 TRP 44 8.746 -11.481 1.847 390 HE3 TRP 44 HE3 TRP 44 9.487 -12.882 -3.309 391 HZ2 TRP 44 HZ2 TRP 44 11.480 -11.968 1.204 392 HZ3 TRP 44 HZ3 TRP 44 11.954 -13.073 -2.933 393 HH2 TRP 44 HH2 TRP 44 12.928 -12.619 -0.683 394 H PHE 45 H PHE 45 5.428 -9.698 -0.256 395 HA PHE 45 HA PHE 45 3.326 -11.313 0.782 396 HB2 PHE 45 1HB PHE 45 4.748 -9.945 2.221 397 HB3 PHE 45 2HB PHE 45 4.085 -8.469 1.518 398 HD1 PHE 45 HD2 PHE 45 1.751 -7.771 1.989 399 HD2 PHE 45 HD1 PHE 45 3.469 -11.249 3.849 400 HE1 PHE 45 HE2 PHE 45 -0.105 -7.801 3.641 401 HE2 PHE 45 HE1 PHE 45 1.631 -11.247 5.525 402 HZ PHE 45 HZ PHE 45 -0.165 -9.533 5.420 403 HA PRO 46 HA PRO 46 0.119 -8.218 -0.405 404 HB2 PRO 46 1HB PRO 46 0.417 -6.453 -2.481 405 HB3 PRO 46 2HB PRO 46 0.825 -6.043 -0.782 406 HG2 PRO 46 1HG PRO 46 2.637 -6.968 -2.978 407 HG3 PRO 46 2HG PRO 46 2.815 -5.571 -1.881 408 HD2 PRO 46 1HD PRO 46 4.076 -7.897 -1.418 409 HD3 PRO 46 2HD PRO 46 3.398 -6.924 -0.071 410 H GLN 47 H GLN 47 2.288 -9.493 -2.861 411 HA GLN 47 HA GLN 47 0.284 -9.999 -4.846 412 HB2 GLN 47 1HB GLN 47 3.138 -10.611 -4.404 413 HB3 GLN 47 2HB GLN 47 2.266 -11.859 -5.296 414 HG2 GLN 47 1HG GLN 47 3.072 -10.475 -6.987 415 HG3 GLN 47 2HG GLN 47 1.400 -9.937 -6.799 416 HE21 GLN 47 2HE2 GLN 47 4.253 -8.769 -7.526 417 HE22 GLN 47 1HE2 GLN 47 4.202 -7.212 -6.739 418 H GLU 48 H GLU 48 0.966 -11.584 -1.832 419 HA GLU 48 HA GLU 48 -0.084 -14.182 -2.684 420 HB2 GLU 48 1HB GLU 48 0.213 -13.000 0.109 421 HB3 GLU 48 2HB GLU 48 -0.221 -14.668 -0.269 422 HG2 GLU 48 1HG GLU 48 2.041 -14.641 -1.624 423 HG3 GLU 48 2HG GLU 48 2.418 -13.286 -0.548 424 H GLY 49 H GLY 49 -1.374 -11.096 -1.853 425 HA2 GLY 49 1HA GLY 49 -3.514 -10.324 -1.647 426 HA3 GLY 49 2HA GLY 49 -3.995 -11.742 -2.577 427 H THR 50 H THR 50 -2.507 -12.277 0.543 428 HA THR 50 HA THR 50 -5.207 -12.828 1.693 429 HB THR 50 HB THR 50 -2.800 -14.676 1.935 430 HG1 THR 50 HG1 THR 50 -3.776 -14.562 -0.220 431 HG21 THR 50 1HG2 THR 50 -4.625 -16.282 2.680 432 HG22 THR 50 2HG2 THR 50 -5.727 -14.894 2.743 433 HG23 THR 50 3HG2 THR 50 -4.299 -14.947 3.808 434 H ILE 51 H ILE 51 -5.454 -12.167 3.778 435 HA ILE 51 HA ILE 51 -2.939 -11.333 5.193 436 HB ILE 51 HB ILE 51 -5.767 -10.328 5.633 437 HG12 ILE 51 1HG1 ILE 51 -4.932 -9.503 3.520 438 HG13 ILE 51 2HG1 ILE 51 -5.016 -8.241 4.722 439 HG21 ILE 51 1HG2 ILE 51 -3.097 -9.498 6.901 440 HG22 ILE 51 2HG2 ILE 51 -4.617 -8.588 7.078 441 HG23 ILE 51 3HG2 ILE 51 -4.489 -10.234 7.728 442 HD11 ILE 51 3HD1 ILE 51 -2.598 -8.249 4.994 443 HD12 ILE 51 1HD1 ILE 51 -2.465 -9.599 3.836 444 HD13 ILE 51 2HD1 ILE 51 -3.055 -8.018 3.296 445 H ASP 52 H ASP 52 -2.339 -12.676 6.618 446 HA ASP 52 HA ASP 52 -4.175 -13.758 8.637 447 HB2 ASP 52 1HB ASP 52 -4.344 -15.455 6.805 448 HB3 ASP 52 2HB ASP 52 -2.577 -15.595 6.820 449 H ILE 53 H ILE 53 -2.873 -14.857 10.336 450 HA ILE 53 HA ILE 53 -0.490 -13.374 10.857 451 HB ILE 53 HB ILE 53 -2.085 -14.348 12.523 452 HG12 ILE 53 1HG1 ILE 53 -0.308 -15.032 14.190 453 HG13 ILE 53 2HG1 ILE 53 0.866 -14.973 12.876 454 HG21 ILE 53 1HG2 ILE 53 -0.619 -16.977 12.068 455 HG22 ILE 53 2HG2 ILE 53 -1.881 -16.653 13.279 456 HG23 ILE 53 3HG2 ILE 53 -2.292 -16.631 11.552 457 HD11 ILE 53 3HD1 ILE 53 -0.809 -12.605 13.804 458 HD12 ILE 53 1HD1 ILE 53 0.866 -12.930 14.298 459 HD13 ILE 53 2HD1 ILE 53 0.501 -12.566 12.600 460 H LYS 54 H LYS 54 -1.034 -16.521 9.304 461 HA LYS 54 HA LYS 54 1.730 -17.372 9.541 462 HB2 LYS 54 1HB LYS 54 -0.386 -18.154 7.502 463 HB3 LYS 54 2HB LYS 54 1.132 -19.013 7.791 464 HG2 LYS 54 1HG LYS 54 0.412 -19.652 10.029 465 HG3 LYS 54 2HG LYS 54 -1.020 -18.623 9.902 466 HD2 LYS 54 1HD LYS 54 -1.552 -20.095 7.776 467 HD3 LYS 54 2HD LYS 54 -0.459 -21.254 8.562 468 HE2 LYS 54 1HE LYS 54 -2.629 -21.827 9.350 469 HE3 LYS 54 2HE LYS 54 -1.897 -20.906 10.681 470 HZ1 LYS 54 3HZ LYS 54 -3.073 -18.908 9.632 471 HZ2 LYS 54 1HZ LYS 54 -4.048 -20.012 10.388 472 HZ3 LYS 54 2HZ LYS 54 -3.940 -19.985 8.742 473 H ARG 55 H ARG 55 -0.115 -15.431 7.225 474 HA ARG 55 HA ARG 55 2.070 -15.242 5.298 475 HB2 ARG 55 1HB ARG 55 -0.676 -14.251 5.575 476 HB3 ARG 55 2HB ARG 55 0.421 -12.971 5.057 477 HG2 ARG 55 1HG ARG 55 -0.171 -13.801 3.020 478 HG3 ARG 55 2HG ARG 55 1.260 -14.790 3.345 479 HD2 ARG 55 1HD ARG 55 -0.289 -16.562 4.283 480 HD3 ARG 55 2HD ARG 55 -1.652 -15.573 3.705 481 HE ARG 55 HE ARG 55 0.392 -16.118 1.677 482 HH11 ARG 55 1HH1 ARG 55 -2.608 -17.387 3.070 483 HH12 ARG 55 2HH1 ARG 55 -2.963 -18.314 1.638 484 HH21 ARG 55 1HH2 ARG 55 -0.111 -17.292 -0.046 485 HH22 ARG 55 2HH2 ARG 55 -1.576 -18.253 -0.115 486 H TRP 56 H TRP 56 0.825 -13.346 8.036 487 HA TRP 56 HA TRP 56 2.525 -11.108 7.727 488 HB2 TRP 56 1HB TRP 56 0.469 -11.393 9.194 489 HB3 TRP 56 2HB TRP 56 1.512 -12.216 10.358 490 HD1 TRP 56 HD1 TRP 56 2.220 -10.597 12.217 491 HE1 TRP 56 HE1 TRP 56 2.780 -8.128 12.492 492 HE3 TRP 56 HE3 TRP 56 1.482 -9.182 7.359 493 HZ2 TRP 56 HZ2 TRP 56 2.941 -5.837 10.801 494 HZ3 TRP 56 HZ3 TRP 56 1.876 -6.793 6.736 495 HH2 TRP 56 HH2 TRP 56 2.599 -5.139 8.456 496 H ARG 57 H ARG 57 3.196 -14.295 9.093 497 HA ARG 57 HA ARG 57 5.528 -13.733 10.599 498 HB2 ARG 57 1HB ARG 57 5.215 -16.058 8.646 499 HB3 ARG 57 2HB ARG 57 6.365 -15.961 9.968 500 HG2 ARG 57 1HG ARG 57 3.394 -16.263 10.126 501 HG3 ARG 57 2HG ARG 57 4.617 -17.440 10.582 502 HD2 ARG 57 1HD ARG 57 4.856 -14.870 11.994 503 HD3 ARG 57 2HD ARG 57 3.321 -15.671 12.222 504 HE ARG 57 HE ARG 57 4.409 -17.348 13.446 505 HH11 ARG 57 1HH1 ARG 57 6.916 -15.440 11.794 506 HH12 ARG 57 2HH1 ARG 57 8.199 -16.198 12.685 507 HH21 ARG 57 1HH2 ARG 57 6.121 -18.255 14.535 508 HH22 ARG 57 2HH2 ARG 57 7.756 -17.754 14.194 509 H ARG 58 H ARG 58 5.195 -14.377 7.183 510 HA ARG 58 HA ARG 58 7.917 -14.284 6.480 511 HB2 ARG 58 1HB ARG 58 5.447 -13.541 4.886 512 HB3 ARG 58 2HB ARG 58 7.069 -13.557 4.188 513 HG2 ARG 58 1HG ARG 58 7.332 -15.909 4.727 514 HG3 ARG 58 2HG ARG 58 5.735 -15.948 5.499 515 HD2 ARG 58 1HD ARG 58 4.611 -15.616 3.435 516 HD3 ARG 58 2HD ARG 58 6.100 -15.092 2.618 517 HE ARG 58 HE ARG 58 6.612 -17.682 3.513 518 HH11 ARG 58 1HH1 ARG 58 4.277 -16.217 1.290 519 HH12 ARG 58 2HH1 ARG 58 4.227 -17.643 0.283 520 HH21 ARG 58 1HH2 ARG 58 6.480 -19.450 2.176 521 HH22 ARG 58 2HH2 ARG 58 5.442 -19.430 0.777 522 H VAL 59 H VAL 59 5.795 -11.544 7.132 523 HA VAL 59 HA VAL 59 7.535 -9.600 5.888 524 HB VAL 59 HB VAL 59 5.500 -9.241 8.131 525 HG11 VAL 59 1HG1 VAL 59 6.806 -7.259 6.244 526 HG12 VAL 59 2HG1 VAL 59 5.413 -6.897 7.301 527 HG13 VAL 59 3HG1 VAL 59 6.976 -7.339 8.010 528 HG21 VAL 59 3HG2 VAL 59 4.002 -8.496 6.276 529 HG22 VAL 59 1HG2 VAL 59 5.216 -9.086 5.121 530 HG23 VAL 59 2HG2 VAL 59 4.409 -10.217 6.235 531 H GLY 60 H GLY 60 7.154 -10.890 9.199 532 HA2 GLY 60 1HA GLY 60 9.150 -9.093 10.298 533 HA3 GLY 60 2HA GLY 60 8.412 -10.498 11.094 534 H ASP 61 H ASP 61 9.038 -12.409 9.069 535 HA ASP 61 HA ASP 61 11.671 -13.204 9.829 536 HB2 ASP 61 1HB ASP 61 10.038 -14.005 7.376 537 HB3 ASP 61 2HB ASP 61 11.437 -14.883 8.008 538 H CYS 62 H CYS 62 10.327 -11.477 7.010 539 HA CYS 62 HA CYS 62 12.722 -11.226 5.485 540 HB2 CYS 62 1HB CYS 62 10.038 -10.093 5.525 541 HB3 CYS 62 2HB CYS 62 11.225 -8.836 5.209 542 HG CYS 62 HG CYS 62 10.329 -9.425 2.982 543 H PHE 63 H PHE 63 11.232 -8.993 7.908 544 HA PHE 63 HA PHE 63 13.271 -7.013 7.687 545 HB2 PHE 63 1HB PHE 63 11.636 -7.774 10.136 546 HB3 PHE 63 2HB PHE 63 12.593 -6.306 9.971 547 HD1 PHE 63 HD2 PHE 63 11.677 -5.971 6.872 548 HD2 PHE 63 HD1 PHE 63 9.640 -6.442 10.640 549 HE1 PHE 63 HE2 PHE 63 9.712 -4.763 5.955 550 HE2 PHE 63 HE1 PHE 63 7.679 -5.209 9.731 551 HZ PHE 63 HZ PHE 63 7.708 -4.374 7.381 552 H GLN 64 H GLN 64 13.085 -10.015 9.607 553 HA GLN 64 HA GLN 64 15.317 -9.409 11.278 554 HB2 GLN 64 1HB GLN 64 13.613 -11.203 11.669 555 HB3 GLN 64 2HB GLN 64 14.345 -12.138 10.361 556 HG2 GLN 64 1HG GLN 64 16.472 -12.208 11.606 557 HG3 GLN 64 2HG GLN 64 15.727 -11.288 12.923 558 HE21 GLN 64 2HE2 GLN 64 15.980 -14.365 11.316 559 HE22 GLN 64 1HE2 GLN 64 15.077 -15.277 12.503 560 H ASP 65 H ASP 65 15.145 -11.288 8.183 561 HA ASP 65 HA ASP 65 18.015 -11.706 8.260 562 HB2 ASP 65 1HB ASP 65 15.857 -12.184 6.219 563 HB3 ASP 65 2HB ASP 65 17.564 -12.326 5.771 564 H TYR 66 H TYR 66 15.922 -9.224 6.858 565 HA TYR 66 HA TYR 66 17.991 -8.029 5.241 566 HB2 TYR 66 1HB TYR 66 15.389 -7.642 5.356 567 HB3 TYR 66 2HB TYR 66 15.805 -6.423 6.555 568 HD1 TYR 66 HD1 TYR 66 17.688 -4.672 5.732 569 HD2 TYR 66 HD2 TYR 66 15.336 -7.123 3.095 570 HE1 TYR 66 HE1 TYR 66 18.116 -3.092 3.855 571 HE2 TYR 66 HE2 TYR 66 15.779 -5.529 1.229 572 HH TYR 66 HH TYR 66 16.822 -3.600 0.587 573 H PHE 67 H PHE 67 16.937 -7.682 8.644 574 HA PHE 67 HA PHE 67 18.797 -5.587 9.341 575 HB2 PHE 67 1HB PHE 67 16.766 -6.243 10.645 576 HB3 PHE 67 2HB PHE 67 17.555 -7.761 11.075 577 HD1 PHE 67 HD1 PHE 67 19.685 -7.689 12.489 578 HD2 PHE 67 HD2 PHE 67 17.156 -4.261 11.875 579 HE1 PHE 67 HE1 PHE 67 20.694 -6.591 14.480 580 HE2 PHE 67 HE2 PHE 67 18.133 -3.171 13.873 581 HZ PHE 67 HZ PHE 67 19.920 -4.326 15.180 582 H ASN 68 H ASN 68 18.983 -9.182 9.369 583 HA ASN 68 HA ASN 68 21.525 -9.316 10.685 584 HB2 ASN 68 1HB ASN 68 20.173 -11.192 8.700 585 HB3 ASN 68 2HB ASN 68 21.702 -11.561 9.501 586 HD21 ASN 68 2HD2 ASN 68 19.091 -12.937 9.651 587 HD22 ASN 68 1HD2 ASN 68 18.714 -12.954 11.356 588 H THR 69 H THR 69 20.603 -8.746 7.321 589 HA THR 69 HA THR 69 23.330 -9.093 6.350 590 HB THR 69 HB THR 69 20.927 -7.863 4.918 591 HG1 THR 69 HG1 THR 69 20.410 -9.948 5.623 592 HG21 THR 69 1HG2 THR 69 22.091 -8.731 2.894 593 HG22 THR 69 2HG2 THR 69 23.467 -9.213 3.911 594 HG23 THR 69 3HG2 THR 69 23.046 -7.491 3.734 595 H PHE 70 H PHE 70 21.192 -6.267 7.001 596 HA PHE 70 HA PHE 70 23.517 -4.527 6.264 597 HB2 PHE 70 1HB PHE 70 20.551 -3.969 6.087 598 HB3 PHE 70 2HB PHE 70 21.851 -2.851 5.648 599 HD1 PHE 70 HD2 PHE 70 23.437 -3.466 3.766 600 HD2 PHE 70 HD1 PHE 70 19.784 -5.599 4.527 601 HE1 PHE 70 HE2 PHE 70 23.493 -4.379 1.448 602 HE2 PHE 70 HE1 PHE 70 19.810 -6.498 2.210 603 HZ PHE 70 HZ PHE 70 21.669 -5.890 0.660 604 H GLY 71 H GLY 71 21.929 -5.471 9.053 605 HA2 GLY 71 1HA GLY 71 22.268 -4.652 11.165 606 HA3 GLY 71 2HA GLY 71 23.200 -3.321 10.484 607 HA PRO 72 HA PRO 72 19.181 -1.793 12.335 608 HB2 PRO 72 1HB PRO 72 20.244 -0.129 14.222 609 HB3 PRO 72 2HB PRO 72 20.020 -1.883 14.509 610 HG2 PRO 72 1HG PRO 72 22.488 -0.426 13.610 611 HG3 PRO 72 2HG PRO 72 22.295 -1.591 14.960 612 HD2 PRO 72 1HD PRO 72 23.237 -2.372 12.562 613 HD3 PRO 72 2HD PRO 72 22.117 -3.424 13.500 614 H GLU 73 H GLU 73 22.049 -0.385 11.001 615 HA GLU 73 HA GLU 73 21.137 2.335 10.826 616 HB2 GLU 73 1HB GLU 73 23.102 0.861 9.028 617 HB3 GLU 73 2HB GLU 73 22.980 2.610 9.263 618 HG2 GLU 73 1HG GLU 73 23.884 0.529 11.285 619 HG3 GLU 73 2HG GLU 73 24.877 1.775 10.511 620 H LYS 74 H LYS 74 20.388 -0.583 9.125 621 HA LYS 74 HA LYS 74 19.200 1.007 6.906 622 HB2 LYS 74 1HB LYS 74 20.973 -0.727 6.417 623 HB3 LYS 74 2HB LYS 74 19.808 -1.948 6.941 624 HG2 LYS 74 1HG LYS 74 19.718 -1.867 4.564 625 HG3 LYS 74 2HG LYS 74 18.241 -1.109 5.163 626 HD2 LYS 74 1HD LYS 74 19.775 1.111 4.930 627 HD3 LYS 74 2HD LYS 74 20.589 0.090 3.734 628 HE2 LYS 74 1HE LYS 74 18.883 1.325 2.577 629 HE3 LYS 74 2HE LYS 74 18.310 -0.354 2.710 630 HZ1 LYS 74 3HZ LYS 74 17.492 1.929 4.428 631 HZ2 LYS 74 1HZ LYS 74 17.032 0.369 4.696 632 HZ3 LYS 74 2HZ LYS 74 16.548 1.150 3.323 633 H VAL 75 H VAL 75 18.440 -1.465 9.361 634 HA VAL 75 HA VAL 75 15.552 -1.030 8.636 635 HB VAL 75 HB VAL 75 16.854 -3.501 9.898 636 HG11 VAL 75 1HG1 VAL 75 14.593 -3.168 10.804 637 HG12 VAL 75 2HG1 VAL 75 13.934 -2.985 9.160 638 HG13 VAL 75 3HG1 VAL 75 14.598 -4.548 9.692 639 HG21 VAL 75 3HG2 VAL 75 16.124 -4.667 7.843 640 HG22 VAL 75 1HG2 VAL 75 15.631 -3.104 7.150 641 HG23 VAL 75 2HG2 VAL 75 17.341 -3.420 7.536 642 HA PRO 76 HA PRO 76 15.974 0.478 12.773 643 HB2 PRO 76 1HB PRO 76 13.467 1.333 13.344 644 HB3 PRO 76 2HB PRO 76 14.506 2.189 12.180 645 HG2 PRO 76 1HG PRO 76 12.308 0.238 11.655 646 HG3 PRO 76 2HG PRO 76 12.623 1.814 10.876 647 HD2 PRO 76 1HD PRO 76 13.377 -0.595 9.783 648 HD3 PRO 76 2HD PRO 76 14.278 0.935 9.503 649 H VAL 77 H VAL 77 15.661 -0.336 14.881 650 HA VAL 77 HA VAL 77 14.598 -2.982 15.106 651 HB VAL 77 HB VAL 77 14.911 -2.688 17.559 652 HG11 VAL 77 1HG1 VAL 77 17.252 -1.640 15.901 653 HG12 VAL 77 2HG1 VAL 77 17.348 -2.417 17.498 654 HG13 VAL 77 3HG1 VAL 77 16.802 -3.352 16.091 655 HG21 VAL 77 3HG2 VAL 77 14.277 -0.291 17.757 656 HG22 VAL 77 1HG2 VAL 77 15.877 -0.600 18.450 657 HG23 VAL 77 2HG2 VAL 77 15.744 0.174 16.858 658 H THR 78 H THR 78 13.089 0.153 15.261 659 HA THR 78 HA THR 78 10.812 -0.716 16.807 660 HB THR 78 HB THR 78 11.567 1.724 16.366 661 HG1 THR 78 HG1 THR 78 9.478 2.374 16.785 662 HG21 THR 78 1HG2 THR 78 11.408 1.499 13.839 663 HG22 THR 78 2HG2 THR 78 10.597 2.901 14.558 664 HG23 THR 78 3HG2 THR 78 9.647 1.486 14.061 665 H ALA 79 H ALA 79 11.774 -1.235 13.491 666 HA ALA 79 HA ALA 79 9.138 -1.457 12.375 667 HB1 ALA 79 3HB ALA 79 10.248 -2.912 10.677 668 HB2 ALA 79 1HB ALA 79 11.113 -1.385 10.952 669 HB3 ALA 79 2HB ALA 79 11.728 -2.894 11.666 670 H PHE 80 H PHE 80 11.188 -3.697 14.238 671 HA PHE 80 HA PHE 80 9.441 -5.973 13.907 672 HB2 PHE 80 1HB PHE 80 11.475 -5.338 16.075 673 HB3 PHE 80 2HB PHE 80 10.748 -6.920 15.771 674 HD1 PHE 80 HD1 PHE 80 11.381 -8.242 13.799 675 HD2 PHE 80 HD2 PHE 80 13.221 -4.449 14.626 676 HE1 PHE 80 HE1 PHE 80 13.190 -8.775 12.197 677 HE2 PHE 80 HE2 PHE 80 15.043 -4.963 13.017 678 HZ PHE 80 HZ PHE 80 15.030 -7.137 11.794 679 H SER 81 H SER 81 9.644 -3.287 16.180 680 HA SER 81 HA SER 81 7.849 -4.411 18.151 681 HB2 SER 81 1HB SER 81 9.441 -2.560 18.643 682 HB3 SER 81 2HB SER 81 8.518 -1.496 17.561 683 HG SER 81 HG SER 81 7.955 -1.321 19.817 684 H TYR 82 H TYR 82 7.502 -2.112 15.432 685 HA TYR 82 HA TYR 82 4.678 -1.760 15.686 686 HB2 TYR 82 1HB TYR 82 6.762 -1.309 13.595 687 HB3 TYR 82 2HB TYR 82 5.090 -1.449 13.033 688 HD1 TYR 82 HD2 TYR 82 3.384 0.141 13.673 689 HD2 TYR 82 HD1 TYR 82 7.441 0.621 15.043 690 HE1 TYR 82 HE2 TYR 82 2.893 2.509 14.350 691 HE2 TYR 82 HE1 TYR 82 6.940 2.970 15.709 692 HH TYR 82 HH TYR 82 5.380 4.709 15.565 693 H TRP 83 H TRP 83 6.660 -4.069 13.790 694 HA TRP 83 HA TRP 83 4.567 -5.362 12.453 695 HB2 TRP 83 1HB TRP 83 6.980 -5.793 12.060 696 HB3 TRP 83 2HB TRP 83 7.111 -6.538 13.649 697 HD1 TRP 83 HD1 TRP 83 5.698 -7.262 10.164 698 HE1 TRP 83 HE1 TRP 83 5.176 -9.742 9.919 699 HE3 TRP 83 HE3 TRP 83 6.558 -8.659 15.012 700 HZ2 TRP 83 HZ2 TRP 83 5.147 -12.030 11.594 701 HZ3 TRP 83 HZ3 TRP 83 6.299 -11.060 15.631 702 HH2 TRP 83 HH2 TRP 83 5.594 -12.733 13.919 703 H ASN 84 H ASN 84 5.759 -5.828 15.764 704 HA ASN 84 HA ASN 84 4.203 -8.188 16.295 705 HB2 ASN 84 1HB ASN 84 5.876 -6.298 17.847 706 HB3 ASN 84 2HB ASN 84 4.620 -7.151 18.758 707 HD21 ASN 84 2HD2 ASN 84 7.707 -7.364 17.335 708 HD22 ASN 84 1HD2 ASN 84 7.966 -9.069 17.641 709 H LEU 85 H LEU 85 3.593 -4.712 16.683 710 HA LEU 85 HA LEU 85 1.197 -4.946 18.234 711 HB2 LEU 85 1HB LEU 85 2.550 -2.887 17.873 712 HB3 LEU 85 2HB LEU 85 1.981 -2.811 16.215 713 HG LEU 85 HG LEU 85 -0.061 -2.812 18.418 714 HD11 LEU 85 1HD1 LEU 85 0.205 -0.350 18.630 715 HD12 LEU 85 2HD1 LEU 85 1.670 -0.434 17.623 716 HD13 LEU 85 3HD1 LEU 85 1.627 -1.237 19.213 717 HD21 LEU 85 3HD2 LEU 85 0.162 -1.361 15.736 718 HD22 LEU 85 1HD2 LEU 85 -1.205 -1.227 16.865 719 HD23 LEU 85 2HD2 LEU 85 -0.855 -2.777 16.084 720 H ILE 86 H ILE 86 1.774 -5.016 14.677 721 HA ILE 86 HA ILE 86 -1.113 -5.244 14.198 722 HB ILE 86 HB ILE 86 1.260 -5.646 12.317 723 HG12 ILE 86 1HG1 ILE 86 -0.059 -3.631 11.228 724 HG13 ILE 86 2HG1 ILE 86 -0.749 -3.431 12.837 725 HG21 ILE 86 1HG2 ILE 86 -1.750 -5.799 11.808 726 HG22 ILE 86 2HG2 ILE 86 -0.522 -5.631 10.515 727 HG23 ILE 86 3HG2 ILE 86 -0.544 -7.076 11.538 728 HD11 ILE 86 3HD1 ILE 86 2.240 -3.445 12.297 729 HD12 ILE 86 1HD1 ILE 86 1.241 -1.972 12.299 730 HD13 ILE 86 2HD1 ILE 86 1.399 -2.933 13.778 731 H LYS 87 H LYS 87 1.636 -7.427 14.724 732 HA LYS 87 HA LYS 87 0.374 -9.790 13.768 733 HB2 LYS 87 1HB LYS 87 2.433 -10.501 14.265 734 HB3 LYS 87 2HB LYS 87 2.723 -9.141 15.333 735 HG2 LYS 87 1HG LYS 87 1.711 -10.320 17.207 736 HG3 LYS 87 2HG LYS 87 1.253 -11.663 16.144 737 HD2 LYS 87 1HD LYS 87 3.592 -12.184 15.755 738 HD3 LYS 87 2HD LYS 87 4.086 -10.772 16.699 739 HE2 LYS 87 1HE LYS 87 4.220 -12.846 18.048 740 HE3 LYS 87 2HE LYS 87 3.073 -11.675 18.718 741 HZ1 LYS 87 3HZ LYS 87 2.314 -14.062 17.116 742 HZ2 LYS 87 1HZ LYS 87 1.259 -12.963 17.742 743 HZ3 LYS 87 2HZ LYS 87 2.153 -13.911 18.750 744 H GLU 88 H GLU 88 0.190 -8.238 17.042 745 HA GLU 88 HA GLU 88 -1.475 -10.371 18.053 746 HB2 GLU 88 1HB GLU 88 -2.024 -8.829 19.889 747 HB3 GLU 88 2HB GLU 88 -0.283 -8.954 19.605 748 HG2 GLU 88 1HG GLU 88 -0.272 -6.828 18.450 749 HG3 GLU 88 2HG GLU 88 -2.028 -6.686 18.610 750 H LEU 89 H LEU 89 -2.152 -7.426 16.214 751 HA LEU 89 HA LEU 89 -4.979 -7.463 16.682 752 HB2 LEU 89 1HB LEU 89 -3.301 -6.257 14.487 753 HB3 LEU 89 2HB LEU 89 -5.050 -6.097 14.550 754 HG LEU 89 HG LEU 89 -3.153 -5.129 16.715 755 HD11 LEU 89 1HD1 LEU 89 -4.640 -3.602 14.543 756 HD12 LEU 89 2HD1 LEU 89 -2.883 -3.863 14.636 757 HD13 LEU 89 3HD1 LEU 89 -3.696 -2.875 15.864 758 HD21 LEU 89 3HD2 LEU 89 -5.226 -5.535 17.784 759 HD22 LEU 89 1HD2 LEU 89 -6.164 -4.960 16.394 760 HD23 LEU 89 2HD2 LEU 89 -5.262 -3.807 17.393 761 H ILE 90 H ILE 90 -2.929 -9.017 14.196 762 HA ILE 90 HA ILE 90 -5.294 -10.064 12.823 763 HB ILE 90 HB ILE 90 -2.407 -11.056 12.600 764 HG12 ILE 90 1HG1 ILE 90 -3.847 -9.177 10.692 765 HG13 ILE 90 2HG1 ILE 90 -2.820 -8.583 11.994 766 HG21 ILE 90 1HG2 ILE 90 -4.903 -11.419 10.850 767 HG22 ILE 90 2HG2 ILE 90 -3.267 -11.920 10.362 768 HG23 ILE 90 3HG2 ILE 90 -4.049 -12.689 11.753 769 HD11 ILE 90 3HD1 ILE 90 -0.878 -9.856 11.042 770 HD12 ILE 90 1HD1 ILE 90 -1.904 -10.356 9.677 771 HD13 ILE 90 2HD1 ILE 90 -1.525 -8.637 9.921 772 H ASP 91 H ASP 91 -2.892 -11.273 15.179 773 HA ASP 91 HA ASP 91 -3.675 -14.004 15.196 774 HB2 ASP 91 1HB ASP 91 -1.632 -12.929 16.262 775 HB3 ASP 91 2HB ASP 91 -2.681 -12.366 17.570 776 H LYS 92 H LYS 92 -4.865 -11.178 17.015 777 HA LYS 92 HA LYS 92 -7.122 -12.881 17.957 778 HB2 LYS 92 1HB LYS 92 -5.907 -10.394 19.188 779 HB3 LYS 92 2HB LYS 92 -7.374 -11.185 19.768 780 HG2 LYS 92 1HG LYS 92 -4.616 -12.469 19.665 781 HG3 LYS 92 2HG LYS 92 -5.443 -11.874 21.120 782 HD2 LYS 92 1HD LYS 92 -7.301 -13.496 20.688 783 HD3 LYS 92 2HD LYS 92 -6.408 -14.117 19.293 784 HE2 LYS 92 1HE LYS 92 -4.541 -14.744 20.798 785 HE3 LYS 92 2HE LYS 92 -5.597 -14.313 22.180 786 HZ1 LYS 92 3HZ LYS 92 -5.999 -16.598 21.720 787 HZ2 LYS 92 1HZ LYS 92 -6.074 -16.358 20.088 788 HZ3 LYS 92 2HZ LYS 92 -7.296 -15.813 21.046 789 H LYS 93 H LYS 93 -7.094 -11.841 15.343 790 HA LYS 93 HA LYS 93 -8.867 -9.584 15.171 791 HB2 LYS 93 1HB LYS 93 -9.322 -10.273 12.924 792 HB3 LYS 93 2HB LYS 93 -7.602 -10.490 13.255 793 HG2 LYS 93 1HG LYS 93 -8.051 -12.938 13.636 794 HG3 LYS 93 2HG LYS 93 -9.723 -12.659 13.110 795 HD2 LYS 93 1HD LYS 93 -8.927 -11.861 10.930 796 HD3 LYS 93 2HD LYS 93 -7.243 -12.020 11.466 797 HE2 LYS 93 1HE LYS 93 -7.799 -13.930 10.092 798 HE3 LYS 93 2HE LYS 93 -7.588 -14.464 11.772 799 HZ1 LYS 93 3HZ LYS 93 -10.001 -14.463 12.007 800 HZ2 LYS 93 1HZ LYS 93 -9.551 -15.449 10.764 801 HZ3 LYS 93 2HZ LYS 93 -10.196 -13.966 10.445 802 H GLU 94 H GLU 94 -9.265 -12.803 16.254 803 HA GLU 94 HA GLU 94 -12.017 -13.293 15.744 804 HB2 GLU 94 1HB GLU 94 -11.758 -14.796 17.806 805 HB3 GLU 94 2HB GLU 94 -10.693 -15.117 16.432 806 HG2 GLU 94 1HG GLU 94 -8.828 -13.996 17.537 807 HG3 GLU 94 2HG GLU 94 -9.863 -13.514 18.884 808 H VAL 95 H VAL 95 -10.440 -11.356 18.276 809 HA VAL 95 HA VAL 95 -13.160 -10.796 19.406 810 HB VAL 95 HB VAL 95 -11.996 -10.268 21.553 811 HG11 VAL 95 1HG1 VAL 95 -11.407 -13.087 20.544 812 HG12 VAL 95 2HG1 VAL 95 -11.598 -12.579 22.235 813 HG13 VAL 95 3HG1 VAL 95 -12.986 -12.518 21.129 814 HG21 VAL 95 3HG2 VAL 95 -9.525 -11.477 20.223 815 HG22 VAL 95 1HG2 VAL 95 -9.743 -9.749 20.597 816 HG23 VAL 95 2HG2 VAL 95 -9.667 -10.939 21.909 817 H ASN 96 H ASN 96 -11.098 -9.604 17.314 818 HA ASN 96 HA ASN 96 -11.554 -6.768 18.172 819 HB2 ASN 96 1HB ASN 96 -9.149 -8.045 16.851 820 HB3 ASN 96 2HB ASN 96 -9.504 -6.327 16.676 821 HD21 ASN 96 2HD2 ASN 96 -8.185 -8.733 18.689 822 HD22 ASN 96 1HD2 ASN 96 -7.789 -7.673 20.029 823 HA PRO 97 HA PRO 97 -13.688 -8.053 14.327 824 HB2 PRO 97 1HB PRO 97 -16.020 -6.653 14.606 825 HB3 PRO 97 2HB PRO 97 -15.713 -8.206 15.449 826 HG2 PRO 97 1HG PRO 97 -15.346 -5.402 16.490 827 HG3 PRO 97 2HG PRO 97 -16.255 -6.765 17.222 828 HD2 PRO 97 1HD PRO 97 -13.738 -6.214 17.991 829 HD3 PRO 97 2HD PRO 97 -14.284 -7.917 17.797 830 H GLN 98 H GLN 98 -12.962 -4.828 15.548 831 HA GLN 98 HA GLN 98 -13.690 -3.497 13.097 832 HB2 GLN 98 1HB GLN 98 -12.749 -1.536 13.939 833 HB3 GLN 98 2HB GLN 98 -13.505 -2.335 15.312 834 HG2 GLN 98 1HG GLN 98 -10.525 -2.317 14.725 835 HG3 GLN 98 2HG GLN 98 -11.347 -1.228 15.838 836 HE21 GLN 98 2HE2 GLN 98 -11.550 -1.838 17.920 837 HE22 GLN 98 1HE2 GLN 98 -11.240 -3.453 18.513 838 H VAL 99 H VAL 99 -10.609 -4.917 14.372 839 HA VAL 99 HA VAL 99 -9.313 -4.104 11.894 840 HB VAL 99 HB VAL 99 -7.325 -5.182 12.610 841 HG11 VAL 99 1HG1 VAL 99 -8.563 -4.107 15.165 842 HG12 VAL 99 2HG1 VAL 99 -6.883 -3.991 14.606 843 HG13 VAL 99 3HG1 VAL 99 -8.144 -3.065 13.784 844 HG21 VAL 99 3HG2 VAL 99 -8.034 -7.319 13.357 845 HG22 VAL 99 1HG2 VAL 99 -7.279 -6.532 14.751 846 HG23 VAL 99 2HG2 VAL 99 -9.040 -6.617 14.632 847 H MET 100 H MET 100 -11.150 -6.888 12.972 848 HA MET 100 HA MET 100 -10.274 -8.727 10.970 849 HB2 MET 100 1HB MET 100 -11.684 -9.345 12.882 850 HB3 MET 100 2HB MET 100 -13.013 -8.386 12.234 851 HG2 MET 100 1HG MET 100 -11.881 -10.499 10.466 852 HG3 MET 100 2HG MET 100 -12.826 -11.023 11.875 853 HE1 MET 100 3HE MET 100 -13.756 -11.685 8.857 854 HE2 MET 100 1HE MET 100 -14.770 -10.452 8.073 855 HE3 MET 100 2HE MET 100 -13.019 -10.183 8.243 856 H ALA 101 H ALA 101 -12.647 -6.047 10.889 857 HA ALA 101 HA ALA 101 -13.560 -6.570 8.224 858 HB1 ALA 101 3HB ALA 101 -14.705 -5.043 9.814 859 HB2 ALA 101 1HB ALA 101 -13.333 -3.914 9.702 860 HB3 ALA 101 2HB ALA 101 -14.337 -4.239 8.269 861 H ALA 102 H ALA 102 -10.669 -4.954 9.507 862 HA ALA 102 HA ALA 102 -9.925 -3.776 6.963 863 HB1 ALA 102 3HB ALA 102 -8.293 -4.265 9.482 864 HB2 ALA 102 1HB ALA 102 -7.791 -3.275 8.097 865 HB3 ALA 102 2HB ALA 102 -9.183 -2.783 9.084 866 H VAL 103 H VAL 103 -9.371 -6.870 8.609 867 HA VAL 103 HA VAL 103 -7.174 -7.800 7.016 868 HB VAL 103 HB VAL 103 -9.515 -9.342 8.278 869 HG11 VAL 103 1HG1 VAL 103 -6.884 -10.538 7.389 870 HG12 VAL 103 2HG1 VAL 103 -8.293 -11.382 8.041 871 HG13 VAL 103 3HG1 VAL 103 -8.377 -10.640 6.435 872 HG21 VAL 103 3HG2 VAL 103 -8.096 -8.130 9.895 873 HG22 VAL 103 1HG2 VAL 103 -7.927 -9.879 10.071 874 HG23 VAL 103 2HG2 VAL 103 -6.660 -8.941 9.249 875 H ALA 104 H ALA 104 -10.730 -8.035 6.597 876 HA ALA 104 HA ALA 104 -10.567 -9.342 4.054 877 HB1 ALA 104 3HB ALA 104 -12.593 -9.395 5.465 878 HB2 ALA 104 1HB ALA 104 -12.800 -7.639 5.257 879 HB3 ALA 104 2HB ALA 104 -12.962 -8.727 3.857 880 H GLN 105 H GLN 105 -10.965 -5.873 4.957 881 HA GLN 105 HA GLN 105 -11.242 -4.960 2.277 882 HB2 GLN 105 1HB GLN 105 -10.339 -3.633 4.835 883 HB3 GLN 105 2HB GLN 105 -10.296 -2.793 3.279 884 HG2 GLN 105 1HG GLN 105 -12.780 -3.533 3.074 885 HG3 GLN 105 2HG GLN 105 -12.687 -3.736 4.827 886 HE21 GLN 105 2HE2 GLN 105 -13.513 -2.005 5.821 887 HE22 GLN 105 1HE2 GLN 105 -13.292 -0.341 5.316 888 H THR 106 H THR 106 -8.295 -5.511 4.237 889 HA THR 106 HA THR 106 -6.559 -4.178 2.389 890 HB THR 106 HB THR 106 -5.849 -6.530 4.191 891 HG1 THR 106 HG1 THR 106 -6.732 -4.912 5.448 892 HG21 THR 106 1HG2 THR 106 -3.611 -5.474 4.193 893 HG22 THR 106 2HG2 THR 106 -4.192 -4.249 3.047 894 HG23 THR 106 3HG2 THR 106 -4.094 -5.957 2.555 895 H GLU 107 H GLU 107 -7.680 -7.607 2.654 896 HA GLU 107 HA GLU 107 -6.177 -8.539 0.415 897 HB2 GLU 107 1HB GLU 107 -8.864 -9.427 1.507 898 HB3 GLU 107 2HB GLU 107 -8.021 -10.219 0.180 899 HG2 GLU 107 1HG GLU 107 -6.061 -10.519 1.716 900 HG3 GLU 107 2HG GLU 107 -7.104 -9.969 3.033 901 H GLU 108 H GLU 108 -9.450 -7.032 0.556 902 HA GLU 108 HA GLU 108 -10.068 -7.401 -2.212 903 HB2 GLU 108 1HB GLU 108 -10.825 -5.186 -0.271 904 HB3 GLU 108 2HB GLU 108 -11.494 -5.323 -1.894 905 HG2 GLU 108 1HG GLU 108 -12.529 -7.453 -1.345 906 HG3 GLU 108 2HG GLU 108 -11.786 -7.432 0.260 907 H ILE 109 H ILE 109 -8.400 -4.741 -0.491 908 HA ILE 109 HA ILE 109 -8.045 -3.147 -2.861 909 HB ILE 109 HB ILE 109 -6.546 -3.127 -0.196 910 HG12 ILE 109 1HG1 ILE 109 -8.570 -1.114 -1.231 911 HG13 ILE 109 2HG1 ILE 109 -9.098 -2.575 -0.407 912 HG21 ILE 109 1HG2 ILE 109 -6.450 -1.098 -2.518 913 HG22 ILE 109 2HG2 ILE 109 -5.775 -0.807 -0.900 914 HG23 ILE 109 3HG2 ILE 109 -5.093 -2.078 -1.929 915 HD11 ILE 109 3HD1 ILE 109 -9.057 -0.798 1.193 916 HD12 ILE 109 1HD1 ILE 109 -7.736 -1.917 1.586 917 HD13 ILE 109 2HD1 ILE 109 -7.384 -0.369 0.771 918 H LEU 110 H LEU 110 -5.953 -5.572 -1.206 919 HA LEU 110 HA LEU 110 -3.679 -5.176 -2.887 920 HB2 LEU 110 1HB LEU 110 -4.708 -7.292 -1.068 921 HB3 LEU 110 2HB LEU 110 -3.568 -7.831 -2.284 922 HG LEU 110 HG LEU 110 -1.812 -6.560 -1.422 923 HD11 LEU 110 1HD1 LEU 110 -2.016 -4.970 0.492 924 HD12 LEU 110 2HD1 LEU 110 -3.780 -5.049 0.327 925 HD13 LEU 110 3HD1 LEU 110 -2.789 -4.391 -0.991 926 HD21 LEU 110 3HD2 LEU 110 -1.718 -7.318 0.939 927 HD22 LEU 110 1HD2 LEU 110 -2.379 -8.565 -0.137 928 HD23 LEU 110 2HD2 LEU 110 -3.472 -7.617 0.900 929 H LYS 111 H LYS 111 -6.522 -7.315 -3.267 930 HA LYS 111 HA LYS 111 -5.522 -8.636 -5.616 931 HB2 LYS 111 1HB LYS 111 -8.281 -8.221 -4.513 932 HB3 LYS 111 2HB LYS 111 -7.959 -9.172 -5.979 933 HG2 LYS 111 1HG LYS 111 -6.711 -10.799 -4.804 934 HG3 LYS 111 2HG LYS 111 -6.448 -9.722 -3.423 935 HD2 LYS 111 1HD LYS 111 -8.904 -9.769 -3.029 936 HD3 LYS 111 2HD LYS 111 -8.996 -11.089 -4.212 937 HE2 LYS 111 1HE LYS 111 -7.457 -12.442 -2.861 938 HE3 LYS 111 2HE LYS 111 -7.168 -11.074 -1.782 939 HZ1 LYS 111 3HZ LYS 111 -8.629 -12.483 -0.659 940 HZ2 LYS 111 1HZ LYS 111 -9.629 -12.682 -1.964 941 HZ3 LYS 111 2HZ LYS 111 -9.568 -11.235 -1.174 942 H SER 112 H SER 112 -7.270 -5.621 -5.066 943 HA SER 112 HA SER 112 -7.711 -5.096 -7.907 944 HB2 SER 112 1HB SER 112 -9.103 -4.245 -5.967 945 HB3 SER 112 2HB SER 112 -7.770 -3.154 -5.574 946 HG SER 112 HG SER 112 -7.989 -2.523 -7.914 947 H ASN 113 H ASN 113 -5.079 -4.741 -5.727 948 HA ASN 113 HA ASN 113 -3.929 -2.402 -7.048 949 HB2 ASN 113 1HB ASN 113 -3.776 -3.245 -4.513 950 HB3 ASN 113 2HB ASN 113 -2.365 -4.103 -5.129 951 HD21 ASN 113 2HD2 ASN 113 -3.695 -0.893 -5.966 952 HD22 ASN 113 1HD2 ASN 113 -2.315 0.015 -5.413 953 H SER 114 H SER 114 -4.154 -5.487 -8.031 954 HA SER 114 HA SER 114 -1.548 -6.379 -8.368 955 HB2 SER 114 1HB SER 114 -3.974 -6.984 -10.060 956 HB3 SER 114 2HB SER 114 -2.492 -7.946 -9.983 957 HG SER 114 HG SER 114 -4.582 -7.725 -8.156 958 H GLN 115 H GLN 115 -2.770 -3.858 -10.077 959 HA GLN 115 HA GLN 115 -0.501 -4.058 -11.991 960 HB2 GLN 115 1HB GLN 115 -2.826 -4.802 -12.952 961 HB3 GLN 115 2HB GLN 115 -3.187 -3.072 -12.965 962 HG2 GLN 115 1HG GLN 115 -1.256 -2.678 -14.444 963 HG3 GLN 115 2HG GLN 115 -0.824 -4.391 -14.354 964 HE21 GLN 115 2HE2 GLN 115 -1.552 -5.666 -15.913 965 HE22 GLN 115 1HE2 GLN 115 -2.889 -5.298 -16.975 966 H THR 116 H THR 116 -1.896 -2.478 -9.551 967 HA THR 116 HA THR 116 -1.264 0.263 -10.589 968 HB THR 116 HB THR 116 -3.148 0.963 -9.087 969 HG1 THR 116 HG1 THR 116 -4.692 -0.849 -8.815 970 HG21 THR 116 1HG2 THR 116 -3.312 0.734 -11.551 971 HG22 THR 116 2HG2 THR 116 -4.851 0.403 -10.719 972 HG23 THR 116 3HG2 THR 116 -3.844 -0.942 -11.314 973 H ASP 117 H ASP 117 0.091 -1.837 -9.025 974 HA ASP 117 HA ASP 117 0.408 -0.711 -6.341 975 HB2 ASP 117 1HB ASP 117 1.802 -2.515 -5.904 976 HB3 ASP 117 2HB ASP 117 0.688 -3.192 -7.077 977 H LEU 118 H LEU 118 1.289 0.444 -9.216 978 HA LEU 118 HA LEU 118 4.060 1.233 -8.495 979 HB2 LEU 118 1HB LEU 118 2.552 1.537 -11.104 980 HB3 LEU 118 2HB LEU 118 4.259 1.860 -10.851 981 HG LEU 118 HG LEU 118 2.953 -0.878 -10.703 982 HD11 LEU 118 1HD1 LEU 118 2.921 0.064 -12.967 983 HD12 LEU 118 2HD1 LEU 118 4.072 -1.282 -12.852 984 HD13 LEU 118 3HD1 LEU 118 4.668 0.397 -12.868 985 HD21 LEU 118 3HD2 LEU 118 4.948 -0.794 -9.298 986 HD22 LEU 118 1HD2 LEU 118 5.885 -0.049 -10.622 987 HD23 LEU 118 2HD2 LEU 118 5.289 -1.721 -10.766 988 H GLU 119 H GLU 119 4.636 3.293 -8.223 989 HA GLU 119 HA GLU 119 2.988 5.525 -9.153 990 HB2 GLU 119 1HB GLU 119 1.790 5.518 -7.202 991 HB3 GLU 119 2HB GLU 119 3.050 4.700 -6.288 992 HG2 GLU 119 1HG GLU 119 2.609 6.983 -5.453 993 HG3 GLU 119 2HG GLU 119 4.276 6.761 -5.969 994 H HIS 120 H HIS 120 5.721 4.544 -6.996 995 HA HIS 120 HA HIS 120 7.439 6.307 -8.644 996 HB2 HIS 120 1HB HIS 120 6.593 6.936 -5.952 997 HB3 HIS 120 2HB HIS 120 8.342 6.682 -5.989 998 HD1 HIS 120 HD1 HIS 120 5.598 8.819 -7.645 999 HD2 HIS 120 HD2 HIS 120 9.778 8.784 -7.116 1000 HE1 HIS 120 HE1 HIS 120 6.487 11.030 -8.529 1001 H HIS 121 H HIS 121 9.615 5.872 -8.578 1002 HA HIS 121 HA HIS 121 10.240 3.059 -8.253 1003 HB2 HIS 121 1HB HIS 121 11.031 4.624 -10.083 1004 HB3 HIS 121 2HB HIS 121 12.083 5.403 -8.900 1005 HD1 HIS 121 HD1 HIS 121 14.154 4.002 -8.014 1006 HD2 HIS 121 HD2 HIS 121 11.947 2.181 -11.082 1007 HE1 HIS 121 HE1 HIS 121 15.596 2.104 -8.950 1008 H HIS 122 H HIS 122 9.830 2.878 -5.966 1009 HA HIS 122 HA HIS 122 10.427 2.612 -3.785 1010 HB2 HIS 122 1HB HIS 122 13.203 3.461 -4.675 1011 HB3 HIS 122 2HB HIS 122 12.794 3.058 -3.014 1012 HD1 HIS 122 HD1 HIS 122 11.835 0.536 -2.562 1013 HD2 HIS 122 HD2 HIS 122 13.787 1.225 -6.228 1014 HE1 HIS 122 HE1 HIS 122 12.471 -1.733 -3.510 1015 H HIS 123 H HIS 123 11.185 3.893 -1.789 1016 HA HIS 123 HA HIS 123 10.123 6.673 -2.161 1017 HB2 HIS 123 1HB HIS 123 8.766 4.740 -0.998 1018 HB3 HIS 123 2HB HIS 123 9.867 5.006 0.358 1019 HD1 HIS 123 HD1 HIS 123 6.732 6.206 -1.160 1020 HD2 HIS 123 HD2 HIS 123 9.642 7.762 1.429 1021 HE1 HIS 123 HE1 HIS 123 5.708 8.252 -0.041 1022 H HIS 124 H HIS 124 11.244 8.342 -1.232 1023 HA HIS 124 HA HIS 124 12.997 9.477 -0.286 1024 HB2 HIS 124 1HB HIS 124 11.692 8.695 1.725 1025 HB3 HIS 124 2HB HIS 124 12.827 7.357 1.901 1026 HD1 HIS 124 HD1 HIS 124 13.057 11.229 1.649 1027 HD2 HIS 124 HD2 HIS 124 14.829 7.990 3.653 1028 HE1 HIS 124 HE1 HIS 124 14.782 12.200 3.257 1029 H HIS 125 H HIS 125 14.806 7.380 1.545 1030 HA HIS 125 HA HIS 125 16.523 6.214 -0.501 1031 HB2 HIS 125 1HB HIS 125 17.196 8.713 -0.388 1032 HB3 HIS 125 2HB HIS 125 17.558 8.447 1.323 1033 HD1 HIS 125 HD1 HIS 125 19.024 5.679 1.105 1034 HD2 HIS 125 HD2 HIS 125 19.754 8.984 -1.387 1035 HE1 HIS 125 HE1 HIS 125 21.408 5.429 0.190 Start of MODEL 10 1 H21 MYR 1 1H2 MYR 1 0.655 0.041 -0.957 2 H22 MYR 1 2H2 MYR 1 1.988 -0.321 0.129 3 H31 MYR 1 1H3 MYR 1 -0.734 -1.778 0.204 4 H32 MYR 1 2H3 MYR 1 0.641 -2.348 -0.724 5 H41 MYR 1 1H4 MYR 1 1.390 -3.481 1.082 6 H42 MYR 1 2H4 MYR 1 1.739 -1.952 1.876 7 H51 MYR 1 1H5 MYR 1 -0.505 -1.908 2.913 8 H52 MYR 1 2H5 MYR 1 -0.971 -3.382 2.066 9 H61 MYR 1 1H6 MYR 1 0.885 -4.634 3.234 10 H62 MYR 1 2H6 MYR 1 1.322 -3.154 4.079 11 H71 MYR 1 1H7 MYR 1 -1.019 -3.112 5.096 12 H72 MYR 1 2H7 MYR 1 -1.297 -4.694 4.371 13 H81 MYR 1 1H8 MYR 1 0.633 -5.649 5.648 14 H82 MYR 1 2H8 MYR 1 1.008 -4.062 6.304 15 H91 MYR 1 1H9 MYR 1 -1.243 -4.031 7.463 16 H92 MYR 1 2H9 MYR 1 -0.116 -5.228 8.052 17 H101 MYR 1 1H10 MYR 1 -1.575 -6.930 7.662 18 H102 MYR 1 2H10 MYR 1 -1.674 -6.520 5.963 19 H111 MYR 1 1H11 MYR 1 -3.388 -4.649 6.670 20 H112 MYR 1 2H11 MYR 1 -3.921 -6.320 6.637 21 H121 MYR 1 1H12 MYR 1 -3.585 -6.533 9.097 22 H122 MYR 1 2H12 MYR 1 -3.016 -4.862 9.180 23 H131 MYR 1 1H13 MYR 1 -5.217 -4.013 8.419 24 H132 MYR 1 2H13 MYR 1 -5.794 -5.654 8.145 25 H141 MYR 1 1H14 MYR 1 -6.684 -4.865 10.272 26 H142 MYR 1 2H14 MYR 1 -5.518 -6.141 10.616 27 H143 MYR 1 3H14 MYR 1 -5.071 -4.439 10.863 28 H GLY 2 H GLY 2 1.968 0.472 2.160 29 HA2 GLY 2 1HA GLY 2 -0.215 1.245 3.741 30 HA3 GLY 2 2HA GLY 2 1.443 1.810 3.952 31 H GLN 3 H GLN 3 1.700 3.244 1.467 32 HA GLN 3 HA GLN 3 0.508 5.729 2.260 33 HB2 GLN 3 1HB GLN 3 1.700 4.828 -0.388 34 HB3 GLN 3 2HB GLN 3 1.219 6.493 -0.030 35 HG2 GLN 3 1HG GLN 3 2.845 6.583 1.812 36 HG3 GLN 3 2HG GLN 3 3.320 4.916 1.481 37 HE21 GLN 3 2HE2 GLN 3 4.818 4.492 -0.057 38 HE22 GLN 3 1HE2 GLN 3 5.515 5.724 -1.091 39 H GLU 4 H GLU 4 -0.431 3.251 -0.157 40 HA GLU 4 HA GLU 4 -2.658 4.764 -1.168 41 HB2 GLU 4 1HB GLU 4 -1.976 3.101 -2.620 42 HB3 GLU 4 2HB GLU 4 -1.702 1.931 -1.338 43 HG2 GLU 4 1HG GLU 4 -3.559 1.199 -2.685 44 HG3 GLU 4 2HG GLU 4 -4.145 1.606 -1.077 45 H LEU 5 H LEU 5 -2.290 2.396 1.519 46 HA LEU 5 HA LEU 5 -5.097 2.179 1.990 47 HB2 LEU 5 1HB LEU 5 -2.747 1.907 3.872 48 HB3 LEU 5 2HB LEU 5 -4.408 1.559 4.331 49 HG LEU 5 HG LEU 5 -2.840 0.113 2.172 50 HD11 LEU 5 1HD1 LEU 5 -2.860 -1.759 3.754 51 HD12 LEU 5 2HD1 LEU 5 -3.711 -0.757 4.949 52 HD13 LEU 5 3HD1 LEU 5 -2.052 -0.341 4.451 53 HD21 LEU 5 3HD2 LEU 5 -5.223 0.091 1.617 54 HD22 LEU 5 1HD2 LEU 5 -5.631 -0.428 3.267 55 HD23 LEU 5 2HD2 LEU 5 -4.722 -1.506 2.186 56 H SER 6 H SER 6 -2.739 4.597 3.220 57 HA SER 6 HA SER 6 -4.772 5.977 4.789 58 HB2 SER 6 1HB SER 6 -2.264 6.143 5.136 59 HB3 SER 6 2HB SER 6 -2.185 7.114 3.655 60 HG SER 6 HG SER 6 -3.837 8.469 4.740 61 H GLN 7 H GLN 7 -3.829 6.052 1.392 62 HA GLN 7 HA GLN 7 -5.114 8.624 0.832 63 HB2 GLN 7 1HB GLN 7 -3.240 7.704 -0.509 64 HB3 GLN 7 2HB GLN 7 -4.241 6.329 -0.969 65 HG2 GLN 7 1HG GLN 7 -5.744 7.768 -2.218 66 HG3 GLN 7 2HG GLN 7 -4.868 9.208 -1.667 67 HE21 GLN 7 2HE2 GLN 7 -4.200 6.051 -3.287 68 HE22 GLN 7 1HE2 GLN 7 -3.084 6.744 -4.445 69 H HIS 8 H HIS 8 -5.981 5.232 0.944 70 HA HIS 8 HA HIS 8 -8.433 5.487 -0.590 71 HB2 HIS 8 1HB HIS 8 -6.844 3.440 -0.085 72 HB3 HIS 8 2HB HIS 8 -7.831 3.225 1.337 73 HD1 HIS 8 HD1 HIS 8 -7.627 2.613 -2.308 74 HD2 HIS 8 HD2 HIS 8 -10.631 2.591 0.637 75 HE1 HIS 8 HE1 HIS 8 -9.643 1.381 -3.289 76 H GLU 9 H GLU 9 -9.522 7.255 0.520 77 HA GLU 9 HA GLU 9 -9.986 7.454 3.243 78 HB2 GLU 9 1HB GLU 9 -11.842 8.176 0.965 79 HB3 GLU 9 2HB GLU 9 -12.070 8.693 2.642 80 HG2 GLU 9 1HG GLU 9 -9.839 9.794 2.572 81 HG3 GLU 9 2HG GLU 9 -9.721 9.374 0.851 82 H ARG 10 H ARG 10 -11.865 5.421 0.978 83 HA ARG 10 HA ARG 10 -13.919 4.747 2.833 84 HB2 ARG 10 1HB ARG 10 -13.016 3.861 0.227 85 HB3 ARG 10 2HB ARG 10 -13.446 2.464 1.221 86 HG2 ARG 10 1HG ARG 10 -15.261 4.867 0.803 87 HG3 ARG 10 2HG ARG 10 -15.326 3.388 -0.177 88 HD2 ARG 10 1HD ARG 10 -15.785 2.054 1.858 89 HD3 ARG 10 2HD ARG 10 -15.734 3.532 2.840 90 HE ARG 10 HE ARG 10 -17.620 3.943 0.781 91 HH11 ARG 10 1HH1 ARG 10 -17.287 1.897 3.639 92 HH12 ARG 10 2HH1 ARG 10 -19.011 1.789 3.876 93 HH21 ARG 10 1HH2 ARG 10 -19.808 3.770 1.155 94 HH22 ARG 10 2HH2 ARG 10 -20.408 2.829 2.491 95 H TYR 11 H TYR 11 -10.618 3.570 2.598 96 HA TYR 11 HA TYR 11 -11.126 1.293 4.411 97 HB2 TYR 11 1HB TYR 11 -9.458 1.099 2.604 98 HB3 TYR 11 2HB TYR 11 -8.587 2.495 3.238 99 HD1 TYR 11 HD1 TYR 11 -9.582 -1.009 4.065 100 HD2 TYR 11 HD2 TYR 11 -6.926 2.260 4.905 101 HE1 TYR 11 HE1 TYR 11 -8.206 -2.499 5.528 102 HE2 TYR 11 HE2 TYR 11 -5.545 0.760 6.334 103 HH TYR 11 HH TYR 11 -5.259 -1.317 7.174 104 H VAL 12 H VAL 12 -9.580 4.512 4.348 105 HA VAL 12 HA VAL 12 -8.591 4.628 6.990 106 HB VAL 12 HB VAL 12 -9.796 6.834 5.255 107 HG11 VAL 12 1HG1 VAL 12 -8.545 8.431 6.695 108 HG12 VAL 12 2HG1 VAL 12 -9.849 7.602 7.587 109 HG13 VAL 12 3HG1 VAL 12 -8.143 7.099 7.794 110 HG21 VAL 12 3HG2 VAL 12 -7.473 7.400 4.758 111 HG22 VAL 12 1HG2 VAL 12 -6.905 6.080 5.803 112 HG23 VAL 12 2HG2 VAL 12 -7.794 5.718 4.313 113 H GLU 13 H GLU 13 -11.919 5.200 5.782 114 HA GLU 13 HA GLU 13 -12.994 6.356 8.067 115 HB2 GLU 13 1HB GLU 13 -14.174 4.497 6.019 116 HB3 GLU 13 2HB GLU 13 -15.128 5.028 7.408 117 HG2 GLU 13 1HG GLU 13 -13.897 6.793 5.278 118 HG3 GLU 13 2HG GLU 13 -15.617 6.479 5.550 119 H GLN 14 H GLN 14 -12.451 2.873 7.497 120 HA GLN 14 HA GLN 14 -13.553 2.269 10.150 121 HB2 GLN 14 1HB GLN 14 -13.937 0.315 9.165 122 HB3 GLN 14 2HB GLN 14 -13.170 0.907 7.704 123 HG2 GLN 14 1HG GLN 14 -12.205 -1.204 8.259 124 HG3 GLN 14 2HG GLN 14 -10.984 0.046 8.509 125 HE21 GLN 14 2HE2 GLN 14 -13.704 -1.175 10.496 126 HE22 GLN 14 1HE2 GLN 14 -12.720 -1.573 11.879 127 H LEU 15 H LEU 15 -10.361 2.479 8.521 128 HA LEU 15 HA LEU 15 -8.909 1.292 10.637 129 HB2 LEU 15 1HB LEU 15 -8.354 2.180 8.114 130 HB3 LEU 15 2HB LEU 15 -7.543 3.397 9.067 131 HG LEU 15 HG LEU 15 -6.777 0.654 8.442 132 HD11 LEU 15 1HD1 LEU 15 -5.242 3.065 9.461 133 HD12 LEU 15 2HD1 LEU 15 -5.587 2.695 7.754 134 HD13 LEU 15 3HD1 LEU 15 -4.546 1.615 8.704 135 HD21 LEU 15 3HD2 LEU 15 -5.431 0.243 10.472 136 HD22 LEU 15 1HD2 LEU 15 -7.173 0.100 10.757 137 HD23 LEU 15 2HD2 LEU 15 -6.300 1.556 11.291 138 H LYS 16 H LYS 16 -9.921 4.686 10.211 139 HA LYS 16 HA LYS 16 -8.080 5.683 12.195 140 HB2 LYS 16 1HB LYS 16 -9.406 7.699 12.231 141 HB3 LYS 16 2HB LYS 16 -9.184 7.148 10.570 142 HG2 LYS 16 1HG LYS 16 -11.478 6.181 10.643 143 HG3 LYS 16 2HG LYS 16 -11.703 6.919 12.235 144 HD2 LYS 16 1HD LYS 16 -11.417 9.146 11.301 145 HD3 LYS 16 2HD LYS 16 -10.942 8.465 9.725 146 HE2 LYS 16 1HE LYS 16 -13.115 7.398 9.522 147 HE3 LYS 16 2HE LYS 16 -13.638 8.089 11.056 148 HZ1 LYS 16 3HZ LYS 16 -12.961 9.602 8.599 149 HZ2 LYS 16 1HZ LYS 16 -13.464 10.284 10.022 150 HZ3 LYS 16 2HZ LYS 16 -14.472 9.301 9.148 151 H GLN 17 H GLN 17 -11.189 4.092 12.404 152 HA GLN 17 HA GLN 17 -11.533 4.761 15.217 153 HB2 GLN 17 1HB GLN 17 -12.771 2.541 13.554 154 HB3 GLN 17 2HB GLN 17 -13.273 3.010 15.180 155 HG2 GLN 17 1HG GLN 17 -13.405 4.798 12.712 156 HG3 GLN 17 2HG GLN 17 -14.764 3.922 13.423 157 HE21 GLN 17 2HE2 GLN 17 -15.752 4.683 15.261 158 HE22 GLN 17 1HE2 GLN 17 -15.387 6.240 15.960 159 H ALA 18 H ALA 18 -10.111 2.030 13.351 160 HA ALA 18 HA ALA 18 -9.572 0.452 15.687 161 HB1 ALA 18 3HB ALA 18 -8.007 -0.794 14.249 162 HB2 ALA 18 1HB ALA 18 -9.534 -0.476 13.383 163 HB3 ALA 18 2HB ALA 18 -8.087 0.494 13.020 164 H LEU 19 H LEU 19 -7.648 2.973 13.978 165 HA LEU 19 HA LEU 19 -5.271 2.695 15.533 166 HB2 LEU 19 1HB LEU 19 -6.428 4.696 13.715 167 HB3 LEU 19 2HB LEU 19 -5.569 5.442 15.052 168 HG LEU 19 HG LEU 19 -3.613 3.830 14.385 169 HD11 LEU 19 1HD1 LEU 19 -4.687 2.512 12.656 170 HD12 LEU 19 2HD1 LEU 19 -3.458 3.551 11.881 171 HD13 LEU 19 3HD1 LEU 19 -5.187 3.978 11.780 172 HD21 LEU 19 3HD2 LEU 19 -3.480 6.258 14.288 173 HD22 LEU 19 1HD2 LEU 19 -4.366 6.273 12.750 174 HD23 LEU 19 2HD2 LEU 19 -2.738 5.561 12.829 175 H LYS 20 H LYS 20 -8.275 4.565 16.126 176 HA LYS 20 HA LYS 20 -7.341 5.801 18.562 177 HB2 LYS 20 1HB LYS 20 -10.124 5.160 17.535 178 HB3 LYS 20 2HB LYS 20 -9.829 6.065 19.018 179 HG2 LYS 20 1HG LYS 20 -8.872 7.899 17.827 180 HG3 LYS 20 2HG LYS 20 -8.777 6.956 16.329 181 HD2 LYS 20 1HD LYS 20 -11.278 6.719 16.387 182 HD3 LYS 20 2HD LYS 20 -11.306 7.845 17.758 183 HE2 LYS 20 1HE LYS 20 -10.275 9.585 16.346 184 HE3 LYS 20 2HE LYS 20 -10.193 8.435 14.988 185 HZ1 LYS 20 3HZ LYS 20 -12.682 9.372 16.303 186 HZ2 LYS 20 1HZ LYS 20 -12.618 8.257 15.086 187 HZ3 LYS 20 2HZ LYS 20 -12.156 9.819 14.805 188 H THR 21 H THR 21 -9.307 2.849 17.971 189 HA THR 21 HA THR 21 -9.766 2.364 20.770 190 HB THR 21 HB THR 21 -10.405 0.034 20.009 191 HG1 THR 21 HG1 THR 21 -9.957 1.074 17.403 192 HG21 THR 21 1HG2 THR 21 -12.287 0.767 18.535 193 HG22 THR 21 2HG2 THR 21 -11.569 2.384 18.470 194 HG23 THR 21 3HG2 THR 21 -12.132 1.727 20.025 195 H ARG 22 H ARG 22 -7.005 1.749 18.751 196 HA ARG 22 HA ARG 22 -5.927 -0.414 20.316 197 HB2 ARG 22 1HB ARG 22 -5.272 0.421 17.948 198 HB3 ARG 22 2HB ARG 22 -4.331 1.662 18.774 199 HG2 ARG 22 1HG ARG 22 -2.852 -0.128 18.187 200 HG3 ARG 22 2HG ARG 22 -3.071 -0.187 19.942 201 HD2 ARG 22 1HD ARG 22 -5.105 -1.781 18.652 202 HD3 ARG 22 2HD ARG 22 -3.504 -2.259 18.070 203 HE ARG 22 HE ARG 22 -4.398 -2.254 20.921 204 HH11 ARG 22 1HH1 ARG 22 -2.128 -3.438 18.468 205 HH12 ARG 22 2HH1 ARG 22 -1.372 -4.539 19.607 206 HH21 ARG 22 1HH2 ARG 22 -3.357 -3.709 22.263 207 HH22 ARG 22 2HH2 ARG 22 -2.036 -4.689 21.643 208 H GLY 23 H GLY 23 -6.230 3.013 20.790 209 HA2 GLY 23 1HA GLY 23 -5.781 4.224 22.715 210 HA3 GLY 23 2HA GLY 23 -5.020 2.792 23.433 211 H VAL 24 H VAL 24 -3.791 3.297 20.361 212 HA VAL 24 HA VAL 24 -1.322 4.462 21.542 213 HB VAL 24 HB VAL 24 -1.707 2.784 19.012 214 HG11 VAL 24 1HG1 VAL 24 0.203 4.253 18.769 215 HG12 VAL 24 2HG1 VAL 24 0.812 3.811 20.383 216 HG13 VAL 24 3HG1 VAL 24 0.784 2.609 19.069 217 HG21 VAL 24 3HG2 VAL 24 -0.544 2.039 21.736 218 HG22 VAL 24 1HG2 VAL 24 -2.080 1.460 21.060 219 HG23 VAL 24 2HG2 VAL 24 -0.553 0.997 20.293 220 H LYS 25 H LYS 25 -1.250 6.595 21.245 221 HA LYS 25 HA LYS 25 -2.632 7.812 18.954 222 HB2 LYS 25 1HB LYS 25 -1.009 9.006 21.232 223 HB3 LYS 25 2HB LYS 25 -1.844 9.946 19.987 224 HG2 LYS 25 1HG LYS 25 -4.013 8.979 20.716 225 HG3 LYS 25 2HG LYS 25 -3.169 8.046 21.963 226 HD2 LYS 25 1HD LYS 25 -4.050 9.937 23.082 227 HD3 LYS 25 2HD LYS 25 -2.318 10.265 22.891 228 HE2 LYS 25 1HE LYS 25 -2.801 11.702 20.931 229 HE3 LYS 25 2HE LYS 25 -4.534 11.338 21.087 230 HZ1 LYS 25 3HZ LYS 25 -2.883 12.728 23.126 231 HZ2 LYS 25 1HZ LYS 25 -4.491 12.390 23.272 232 HZ3 LYS 25 2HZ LYS 25 -3.972 13.452 22.120 233 H VAL 26 H VAL 26 -1.415 6.905 17.258 234 HA VAL 26 HA VAL 26 1.135 8.395 16.717 235 HB VAL 26 HB VAL 26 0.394 5.489 16.072 236 HG11 VAL 26 1HG1 VAL 26 1.347 6.451 14.051 237 HG12 VAL 26 2HG1 VAL 26 2.709 7.130 14.979 238 HG13 VAL 26 3HG1 VAL 26 2.524 5.369 14.810 239 HG21 VAL 26 3HG2 VAL 26 2.861 6.661 17.444 240 HG22 VAL 26 1HG2 VAL 26 1.473 5.964 18.300 241 HG23 VAL 26 2HG2 VAL 26 2.468 4.937 17.246 242 H LYS 27 H LYS 27 1.044 9.484 14.730 243 HA LYS 27 HA LYS 27 -1.634 9.779 13.651 244 HB2 LYS 27 1HB LYS 27 -0.659 11.389 12.100 245 HB3 LYS 27 2HB LYS 27 -0.157 11.703 13.761 246 HG2 LYS 27 1HG LYS 27 2.043 10.703 13.292 247 HG3 LYS 27 2HG LYS 27 1.547 10.390 11.616 248 HD2 LYS 27 1HD LYS 27 1.140 12.841 11.321 249 HD3 LYS 27 2HD LYS 27 1.743 13.124 12.962 250 HE2 LYS 27 1HE LYS 27 3.390 11.809 10.759 251 HE3 LYS 27 2HE LYS 27 3.401 13.550 11.081 252 HZ1 LYS 27 3HZ LYS 27 4.260 11.420 12.960 253 HZ2 LYS 27 1HZ LYS 27 4.216 13.035 13.329 254 HZ3 LYS 27 2HZ LYS 27 5.240 12.471 12.162 255 H PHE 28 H PHE 28 -2.252 9.498 11.421 256 HA PHE 28 HA PHE 28 -1.886 6.867 10.501 257 HB2 PHE 28 1HB PHE 28 -3.045 9.410 9.476 258 HB3 PHE 28 2HB PHE 28 -2.513 8.303 8.206 259 HD1 PHE 28 HD1 PHE 28 -4.609 8.417 11.314 260 HD2 PHE 28 HD2 PHE 28 -3.887 6.563 7.502 261 HE1 PHE 28 HE1 PHE 28 -6.686 7.093 11.565 262 HE2 PHE 28 HE2 PHE 28 -5.959 5.217 7.755 263 HZ PHE 28 HZ PHE 28 -7.362 5.486 9.779 264 H ALA 29 H ALA 29 -0.234 9.845 9.401 265 HA ALA 29 HA ALA 29 1.121 8.703 7.224 266 HB1 ALA 29 3HB ALA 29 2.704 10.580 7.480 267 HB2 ALA 29 1HB ALA 29 1.025 11.134 7.673 268 HB3 ALA 29 2HB ALA 29 2.066 10.910 9.105 269 H ASP 30 H ASP 30 1.938 8.651 10.696 270 HA ASP 30 HA ASP 30 4.575 7.516 10.207 271 HB2 ASP 30 1HB ASP 30 2.867 7.741 12.708 272 HB3 ASP 30 2HB ASP 30 4.500 7.060 12.691 273 H LEU 31 H LEU 31 1.377 6.291 11.352 274 HA LEU 31 HA LEU 31 2.427 3.688 11.834 275 HB2 LEU 31 1HB LEU 31 0.024 4.953 12.350 276 HB3 LEU 31 2HB LEU 31 -0.428 3.679 11.200 277 HG LEU 31 HG LEU 31 1.152 3.279 13.785 278 HD11 LEU 31 1HD1 LEU 31 -1.215 3.869 14.144 279 HD12 LEU 31 2HD1 LEU 31 -0.833 2.213 14.657 280 HD13 LEU 31 3HD1 LEU 31 -1.693 2.485 13.124 281 HD21 LEU 31 3HD2 LEU 31 0.736 0.847 13.409 282 HD22 LEU 31 1HD2 LEU 31 1.773 1.554 12.156 283 HD23 LEU 31 2HD2 LEU 31 0.056 1.237 11.813 284 H LEU 32 H LEU 32 0.415 4.892 9.127 285 HA LEU 32 HA LEU 32 0.593 2.435 7.664 286 HB2 LEU 32 1HB LEU 32 -0.027 5.266 6.850 287 HB3 LEU 32 2HB LEU 32 0.190 4.018 5.646 288 HG LEU 32 HG LEU 32 -2.129 4.268 5.993 289 HD11 LEU 32 1HD1 LEU 32 -1.285 1.920 5.771 290 HD12 LEU 32 2HD1 LEU 32 -2.863 2.071 6.567 291 HD13 LEU 32 3HD1 LEU 32 -1.407 1.766 7.539 292 HD21 LEU 32 3HD2 LEU 32 -1.716 3.735 8.916 293 HD22 LEU 32 1HD2 LEU 32 -3.239 4.106 8.068 294 HD23 LEU 32 2HD2 LEU 32 -1.966 5.333 8.179 295 H LYS 33 H LYS 33 3.004 4.927 8.075 296 HA LYS 33 HA LYS 33 4.427 4.319 5.642 297 HB2 LYS 33 1HB LYS 33 5.071 6.276 6.929 298 HB3 LYS 33 2HB LYS 33 5.510 5.271 8.314 299 HG2 LYS 33 1HG LYS 33 7.533 5.982 7.138 300 HG3 LYS 33 2HG LYS 33 7.327 4.233 7.012 301 HD2 LYS 33 1HD LYS 33 6.175 4.754 4.696 302 HD3 LYS 33 2HD LYS 33 6.926 6.346 4.841 303 HE2 LYS 33 1HE LYS 33 9.147 5.294 4.935 304 HE3 LYS 33 2HE LYS 33 8.404 3.680 4.969 305 HZ1 LYS 33 3HZ LYS 33 9.131 4.204 2.737 306 HZ2 LYS 33 1HZ LYS 33 8.248 5.595 2.701 307 HZ3 LYS 33 2HZ LYS 33 7.481 4.135 2.740 308 H PHE 34 H PHE 34 4.219 2.622 8.760 309 HA PHE 34 HA PHE 34 6.385 0.806 8.016 310 HB2 PHE 34 1HB PHE 34 4.332 0.830 10.219 311 HB3 PHE 34 2HB PHE 34 5.432 -0.528 9.975 312 HD1 PHE 34 HD2 PHE 34 5.336 3.142 10.614 313 HD2 PHE 34 HD1 PHE 34 7.717 -0.424 10.686 314 HE1 PHE 34 HE2 PHE 34 7.110 4.383 11.815 315 HE2 PHE 34 HE1 PHE 34 9.526 0.815 11.875 316 HZ PHE 34 HZ PHE 34 9.219 3.224 12.446 317 H PHE 35 H PHE 35 2.954 1.014 7.387 318 HA PHE 35 HA PHE 35 2.703 -1.762 6.465 319 HB2 PHE 35 1HB PHE 35 0.989 0.704 5.966 320 HB3 PHE 35 2HB PHE 35 0.622 -0.887 5.337 321 HD1 PHE 35 HD1 PHE 35 1.837 -0.078 8.866 322 HD2 PHE 35 HD2 PHE 35 -1.410 -1.395 6.362 323 HE1 PHE 35 HE1 PHE 35 0.526 -0.642 10.866 324 HE2 PHE 35 HE2 PHE 35 -2.739 -1.942 8.391 325 HZ PHE 35 HZ PHE 35 -1.773 -1.544 10.655 326 H ASP 36 H ASP 36 3.881 1.309 5.284 327 HA ASP 36 HA ASP 36 3.816 0.564 2.454 328 HB2 ASP 36 1HB ASP 36 3.733 2.922 3.423 329 HB3 ASP 36 2HB ASP 36 5.441 2.725 3.827 330 H PHE 37 H PHE 37 6.072 0.513 5.171 331 HA PHE 37 HA PHE 37 8.435 -0.144 3.740 332 HB2 PHE 37 1HB PHE 37 8.241 0.662 6.111 333 HB3 PHE 37 2HB PHE 37 7.671 -0.945 6.572 334 HD1 PHE 37 HD1 PHE 37 10.569 0.852 5.010 335 HD2 PHE 37 HD2 PHE 37 9.217 -2.649 7.110 336 HE1 PHE 37 HE1 PHE 37 12.934 0.120 5.299 337 HE2 PHE 37 HE2 PHE 37 11.579 -3.391 7.404 338 HZ PHE 37 HZ PHE 37 13.442 -2.002 6.499 339 H VAL 38 H VAL 38 5.851 -2.270 5.080 340 HA VAL 38 HA VAL 38 7.295 -4.683 4.489 341 HB VAL 38 HB VAL 38 5.528 -4.949 6.033 342 HG11 VAL 38 1HG1 VAL 38 4.170 -3.066 5.530 343 HG12 VAL 38 2HG1 VAL 38 3.648 -3.797 3.994 344 HG13 VAL 38 3HG1 VAL 38 3.175 -4.523 5.544 345 HG21 VAL 38 3HG2 VAL 38 5.761 -6.836 4.381 346 HG22 VAL 38 1HG2 VAL 38 4.156 -6.733 5.131 347 HG23 VAL 38 2HG2 VAL 38 4.398 -6.151 3.470 348 H LYS 39 H LYS 39 5.279 -2.586 2.421 349 HA LYS 39 HA LYS 39 5.018 -4.497 0.273 350 HB2 LYS 39 1HB LYS 39 3.795 -2.319 0.305 351 HB3 LYS 39 2HB LYS 39 5.318 -1.462 0.061 352 HG2 LYS 39 1HG LYS 39 4.572 -3.584 -1.943 353 HG3 LYS 39 2HG LYS 39 3.670 -2.063 -1.984 354 HD2 LYS 39 1HD LYS 39 5.499 -0.821 -2.719 355 HD3 LYS 39 2HD LYS 39 6.672 -1.852 -1.893 356 HE2 LYS 39 1HE LYS 39 6.182 -3.669 -3.592 357 HE3 LYS 39 2HE LYS 39 5.205 -2.489 -4.486 358 HZ1 LYS 39 3HZ LYS 39 8.125 -2.322 -3.949 359 HZ2 LYS 39 1HZ LYS 39 7.255 -1.113 -4.654 360 HZ3 LYS 39 2HZ LYS 39 7.408 -2.567 -5.421 361 H ASP 40 H ASP 40 7.545 -2.187 1.196 362 HA ASP 40 HA ASP 40 9.137 -2.589 -1.145 363 HB2 ASP 40 1HB ASP 40 9.109 -0.655 0.566 364 HB3 ASP 40 2HB ASP 40 10.163 -1.674 1.555 365 H THR 41 H THR 41 9.578 -3.797 2.242 366 HA THR 41 HA THR 41 11.842 -5.421 1.492 367 HB THR 41 HB THR 41 10.125 -6.049 3.899 368 HG1 THR 41 HG1 THR 41 11.714 -3.728 3.466 369 HG21 THR 41 1HG2 THR 41 12.193 -7.319 3.553 370 HG22 THR 41 2HG2 THR 41 12.359 -6.247 4.957 371 HG23 THR 41 3HG2 THR 41 13.119 -5.806 3.416 372 H CYS 42 H CYS 42 8.385 -5.978 1.503 373 HA CYS 42 HA CYS 42 8.887 -8.808 0.664 374 HB2 CYS 42 1HB CYS 42 6.515 -7.740 2.231 375 HB3 CYS 42 2HB CYS 42 6.748 -9.404 1.703 376 HG CYS 42 HG CYS 42 8.726 -7.676 3.674 377 HA PRO 43 HA PRO 43 6.523 -6.513 -2.594 378 HB2 PRO 43 1HB PRO 43 7.800 -7.523 -4.789 379 HB3 PRO 43 2HB PRO 43 8.460 -6.148 -3.843 380 HG2 PRO 43 1HG PRO 43 9.156 -9.077 -3.644 381 HG3 PRO 43 2HG PRO 43 10.253 -7.669 -3.816 382 HD2 PRO 43 1HD PRO 43 9.736 -8.788 -1.403 383 HD3 PRO 43 2HD PRO 43 9.938 -7.005 -1.587 384 H TRP 44 H TRP 44 7.275 -9.796 -1.855 385 HA TRP 44 HA TRP 44 5.261 -10.954 -3.604 386 HB2 TRP 44 1HB TRP 44 5.760 -12.948 -1.956 387 HB3 TRP 44 2HB TRP 44 6.892 -12.491 -3.239 388 HD1 TRP 44 HD1 TRP 44 6.370 -11.607 0.487 389 HE1 TRP 44 HE1 TRP 44 8.636 -11.312 1.639 390 HE3 TRP 44 HE3 TRP 44 9.306 -12.260 -3.628 391 HZ2 TRP 44 HZ2 TRP 44 11.374 -11.344 0.850 392 HZ3 TRP 44 HZ3 TRP 44 11.788 -12.090 -3.377 393 HH2 TRP 44 HH2 TRP 44 12.800 -11.636 -1.143 394 H PHE 45 H PHE 45 5.155 -9.325 -0.559 395 HA PHE 45 HA PHE 45 2.984 -10.849 0.570 396 HB2 PHE 45 1HB PHE 45 4.450 -9.350 1.883 397 HB3 PHE 45 2HB PHE 45 3.740 -7.950 1.082 398 HD1 PHE 45 HD1 PHE 45 3.031 -10.809 3.362 399 HD2 PHE 45 HD2 PHE 45 1.630 -7.048 1.803 400 HE1 PHE 45 HE1 PHE 45 1.259 -10.750 5.111 401 HE2 PHE 45 HE2 PHE 45 -0.146 -6.980 3.552 402 HZ PHE 45 HZ PHE 45 -0.318 -8.822 5.225 403 HA PRO 46 HA PRO 46 -0.015 -7.904 -1.384 404 HB2 PRO 46 1HB PRO 46 0.603 -6.258 -3.462 405 HB3 PRO 46 2HB PRO 46 0.775 -5.739 -1.754 406 HG2 PRO 46 1HG PRO 46 2.869 -6.837 -3.605 407 HG3 PRO 46 2HG PRO 46 2.904 -5.336 -2.623 408 HD2 PRO 46 1HD PRO 46 4.058 -7.602 -1.748 409 HD3 PRO 46 2HD PRO 46 3.185 -6.517 -0.618 410 H GLN 47 H GLN 47 2.573 -9.324 -3.308 411 HA GLN 47 HA GLN 47 1.037 -9.866 -5.655 412 HB2 GLN 47 1HB GLN 47 3.565 -10.008 -5.356 413 HB3 GLN 47 2HB GLN 47 3.291 -11.572 -4.564 414 HG2 GLN 47 1HG GLN 47 2.140 -12.362 -6.631 415 HG3 GLN 47 2HG GLN 47 2.524 -10.820 -7.405 416 HE21 GLN 47 2HE2 GLN 47 5.112 -11.492 -5.436 417 HE22 GLN 47 1HE2 GLN 47 6.107 -12.361 -6.580 418 H GLU 48 H GLU 48 1.473 -11.693 -2.592 419 HA GLU 48 HA GLU 48 -0.236 -13.870 -3.622 420 HB2 GLU 48 1HB GLU 48 0.955 -13.356 -0.871 421 HB3 GLU 48 2HB GLU 48 -0.025 -14.767 -1.307 422 HG2 GLU 48 1HG GLU 48 1.676 -15.204 -3.165 423 HG3 GLU 48 2HG GLU 48 2.713 -14.015 -2.369 424 H GLY 49 H GLY 49 -0.476 -10.937 -1.687 425 HA2 GLY 49 1HA GLY 49 -2.316 -9.791 -0.943 426 HA3 GLY 49 2HA GLY 49 -3.195 -10.615 -2.223 427 H THR 50 H THR 50 -1.666 -12.203 0.533 428 HA THR 50 HA THR 50 -4.388 -12.934 1.544 429 HB THR 50 HB THR 50 -1.896 -14.692 1.452 430 HG1 THR 50 HG1 THR 50 -3.127 -14.224 -0.585 431 HG21 THR 50 1HG2 THR 50 -3.189 -15.390 3.308 432 HG22 THR 50 2HG2 THR 50 -3.664 -16.473 1.985 433 HG23 THR 50 3HG2 THR 50 -4.732 -15.128 2.447 434 H ILE 51 H ILE 51 -4.693 -12.410 3.622 435 HA ILE 51 HA ILE 51 -2.244 -11.711 5.215 436 HB ILE 51 HB ILE 51 -4.939 -10.292 5.200 437 HG12 ILE 51 1HG1 ILE 51 -2.214 -9.371 4.198 438 HG13 ILE 51 2HG1 ILE 51 -3.511 -9.941 3.157 439 HG21 ILE 51 1HG2 ILE 51 -3.770 -10.281 7.445 440 HG22 ILE 51 2HG2 ILE 51 -2.350 -9.536 6.669 441 HG23 ILE 51 3HG2 ILE 51 -3.907 -8.669 6.729 442 HD11 ILE 51 3HD1 ILE 51 -4.936 -8.086 4.116 443 HD12 ILE 51 1HD1 ILE 51 -3.422 -7.435 4.784 444 HD13 ILE 51 2HD1 ILE 51 -3.603 -7.633 3.036 445 H ASP 52 H ASP 52 -1.989 -13.305 6.521 446 HA ASP 52 HA ASP 52 -4.081 -13.925 8.522 447 HB2 ASP 52 1HB ASP 52 -4.379 -15.756 6.923 448 HB3 ASP 52 2HB ASP 52 -2.625 -15.955 6.786 449 H ILE 53 H ILE 53 -2.891 -15.090 10.350 450 HA ILE 53 HA ILE 53 -0.549 -13.579 10.931 451 HB ILE 53 HB ILE 53 -2.223 -14.477 12.536 452 HG12 ILE 53 1HG1 ILE 53 -0.582 -15.056 14.331 453 HG13 ILE 53 2HG1 ILE 53 0.667 -15.224 13.102 454 HG21 ILE 53 1HG2 ILE 53 -0.795 -17.138 12.213 455 HG22 ILE 53 2HG2 ILE 53 -2.080 -16.755 13.379 456 HG23 ILE 53 3HG2 ILE 53 -2.441 -16.766 11.642 457 HD11 ILE 53 3HD1 ILE 53 0.691 -13.057 14.381 458 HD12 ILE 53 1HD1 ILE 53 0.652 -12.884 12.616 459 HD13 ILE 53 2HD1 ILE 53 -0.833 -12.637 13.572 460 H LYS 54 H LYS 54 -0.974 -16.798 9.481 461 HA LYS 54 HA LYS 54 1.812 -17.566 9.805 462 HB2 LYS 54 1HB LYS 54 -0.289 -18.419 7.785 463 HB3 LYS 54 2HB LYS 54 1.290 -19.192 7.972 464 HG2 LYS 54 1HG LYS 54 0.749 -20.018 10.154 465 HG3 LYS 54 2HG LYS 54 -0.652 -18.950 10.294 466 HD2 LYS 54 1HD LYS 54 -1.513 -21.123 9.895 467 HD3 LYS 54 2HD LYS 54 -1.737 -20.202 8.400 468 HE2 LYS 54 1HE LYS 54 0.262 -21.289 7.425 469 HE3 LYS 54 2HE LYS 54 0.516 -22.185 8.940 470 HZ1 LYS 54 3HZ LYS 54 -0.676 -23.516 7.297 471 HZ2 LYS 54 1HZ LYS 54 -1.891 -22.401 7.213 472 HZ3 LYS 54 2HZ LYS 54 -1.638 -23.241 8.609 473 H ARG 55 H ARG 55 0.044 -15.608 7.463 474 HA ARG 55 HA ARG 55 2.275 -15.458 5.562 475 HB2 ARG 55 1HB ARG 55 -0.135 -13.623 5.898 476 HB3 ARG 55 2HB ARG 55 0.924 -13.685 4.496 477 HG2 ARG 55 1HG ARG 55 -0.642 -16.138 5.348 478 HG3 ARG 55 2HG ARG 55 -1.414 -14.843 4.434 479 HD2 ARG 55 1HD ARG 55 0.231 -15.082 2.628 480 HD3 ARG 55 2HD ARG 55 1.040 -16.361 3.542 481 HE ARG 55 HE ARG 55 -1.648 -17.113 3.296 482 HH11 ARG 55 1HH1 ARG 55 1.102 -16.638 1.093 483 HH12 ARG 55 2HH1 ARG 55 0.494 -17.825 -0.025 484 HH21 ARG 55 1HH2 ARG 55 -2.346 -18.574 1.785 485 HH22 ARG 55 2HH2 ARG 55 -1.418 -18.872 0.342 486 H TRP 56 H TRP 56 0.894 -13.480 8.192 487 HA TRP 56 HA TRP 56 2.656 -11.260 7.844 488 HB2 TRP 56 1HB TRP 56 0.458 -11.330 9.081 489 HB3 TRP 56 2HB TRP 56 1.299 -12.139 10.410 490 HD1 TRP 56 HD1 TRP 56 2.111 -10.494 12.212 491 HE1 TRP 56 HE1 TRP 56 2.778 -8.042 12.394 492 HE3 TRP 56 HE3 TRP 56 1.580 -9.275 7.278 493 HZ2 TRP 56 HZ2 TRP 56 3.082 -5.839 10.611 494 HZ3 TRP 56 HZ3 TRP 56 2.125 -6.948 6.555 495 HH2 TRP 56 HH2 TRP 56 2.867 -5.246 8.222 496 H ARG 57 H ARG 57 3.021 -14.303 9.635 497 HA ARG 57 HA ARG 57 5.306 -13.523 11.169 498 HB2 ARG 57 1HB ARG 57 4.240 -16.142 10.174 499 HB3 ARG 57 2HB ARG 57 5.823 -16.063 10.974 500 HG2 ARG 57 1HG ARG 57 4.927 -15.421 13.017 501 HG3 ARG 57 2HG ARG 57 3.477 -14.717 12.282 502 HD2 ARG 57 1HD ARG 57 2.655 -16.958 11.730 503 HD3 ARG 57 2HD ARG 57 4.084 -17.672 12.501 504 HE ARG 57 HE ARG 57 2.913 -15.946 14.389 505 HH11 ARG 57 1HH1 ARG 57 1.901 -18.879 12.718 506 HH12 ARG 57 2HH1 ARG 57 0.758 -19.303 13.966 507 HH21 ARG 57 1HH2 ARG 57 1.427 -16.550 15.940 508 HH22 ARG 57 2HH2 ARG 57 0.503 -18.009 15.757 509 H ARG 58 H ARG 58 5.028 -14.828 7.872 510 HA ARG 58 HA ARG 58 7.834 -14.883 7.363 511 HB2 ARG 58 1HB ARG 58 5.464 -14.592 5.512 512 HB3 ARG 58 2HB ARG 58 7.135 -14.630 4.941 513 HG2 ARG 58 1HG ARG 58 7.392 -16.800 6.237 514 HG3 ARG 58 2HG ARG 58 5.621 -16.820 6.370 515 HD2 ARG 58 1HD ARG 58 5.354 -16.950 4.008 516 HD3 ARG 58 2HD ARG 58 7.025 -16.448 3.711 517 HE ARG 58 HE ARG 58 6.079 -19.136 4.343 518 HH11 ARG 58 1HH1 ARG 58 8.935 -17.044 4.305 519 HH12 ARG 58 2HH1 ARG 58 10.031 -18.394 4.227 520 HH21 ARG 58 1HH2 ARG 58 7.553 -20.802 4.246 521 HH22 ARG 58 2HH2 ARG 58 9.262 -20.473 4.197 522 H VAL 59 H VAL 59 5.670 -12.115 7.456 523 HA VAL 59 HA VAL 59 7.421 -10.356 5.952 524 HB VAL 59 HB VAL 59 5.346 -9.740 8.107 525 HG11 VAL 59 1HG1 VAL 59 6.875 -7.889 7.938 526 HG12 VAL 59 2HG1 VAL 59 6.761 -7.900 6.167 527 HG13 VAL 59 3HG1 VAL 59 5.348 -7.454 7.157 528 HG21 VAL 59 3HG2 VAL 59 4.369 -10.841 6.199 529 HG22 VAL 59 1HG2 VAL 59 3.933 -9.125 6.174 530 HG23 VAL 59 2HG2 VAL 59 5.205 -9.731 5.087 531 H GLY 60 H GLY 60 7.041 -11.300 9.360 532 HA2 GLY 60 1HA GLY 60 9.014 -9.432 10.309 533 HA3 GLY 60 2HA GLY 60 8.350 -10.829 11.180 534 H ASP 61 H ASP 61 9.049 -12.820 9.248 535 HA ASP 61 HA ASP 61 11.743 -13.435 9.932 536 HB2 ASP 61 1HB ASP 61 10.143 -14.340 7.491 537 HB3 ASP 61 2HB ASP 61 11.619 -15.103 8.087 538 H CYS 62 H CYS 62 10.253 -11.832 7.125 539 HA CYS 62 HA CYS 62 12.614 -11.552 5.554 540 HB2 CYS 62 1HB CYS 62 9.984 -11.114 5.154 541 HB3 CYS 62 2HB CYS 62 10.492 -9.452 5.454 542 HG CYS 62 HG CYS 62 10.503 -9.429 3.007 543 H PHE 63 H PHE 63 11.088 -9.348 7.966 544 HA PHE 63 HA PHE 63 12.948 -7.202 7.521 545 HB2 PHE 63 1HB PHE 63 11.470 -7.975 10.063 546 HB3 PHE 63 2HB PHE 63 12.346 -6.468 9.828 547 HD1 PHE 63 HD1 PHE 63 11.364 -6.112 6.818 548 HD2 PHE 63 HD2 PHE 63 9.368 -6.861 10.560 549 HE1 PHE 63 HE1 PHE 63 9.329 -4.997 5.946 550 HE2 PHE 63 HE2 PHE 63 7.330 -5.724 9.692 551 HZ PHE 63 HZ PHE 63 7.308 -4.792 7.383 552 H GLN 64 H GLN 64 13.012 -10.117 9.574 553 HA GLN 64 HA GLN 64 15.362 -9.349 11.038 554 HB2 GLN 64 1HB GLN 64 13.769 -11.135 11.720 555 HB3 GLN 64 2HB GLN 64 14.328 -12.119 10.363 556 HG2 GLN 64 1HG GLN 64 16.583 -12.206 11.303 557 HG3 GLN 64 2HG GLN 64 16.083 -11.157 12.642 558 HE21 GLN 64 2HE2 GLN 64 16.480 -14.329 11.621 559 HE22 GLN 64 1HE2 GLN 64 15.563 -15.114 12.884 560 H ASP 65 H ASP 65 14.845 -11.192 8.020 561 HA ASP 65 HA ASP 65 17.555 -11.997 7.681 562 HB2 ASP 65 1HB ASP 65 15.337 -12.656 6.450 563 HB3 ASP 65 2HB ASP 65 15.718 -11.309 5.376 564 H TYR 66 H TYR 66 15.731 -9.169 6.454 565 HA TYR 66 HA TYR 66 17.958 -7.991 5.093 566 HB2 TYR 66 1HB TYR 66 15.393 -7.490 5.014 567 HB3 TYR 66 2HB TYR 66 15.735 -6.369 6.331 568 HD1 TYR 66 HD1 TYR 66 17.835 -4.695 5.803 569 HD2 TYR 66 HD2 TYR 66 15.492 -6.725 2.817 570 HE1 TYR 66 HE1 TYR 66 18.511 -2.998 4.109 571 HE2 TYR 66 HE2 TYR 66 16.177 -5.018 1.132 572 HH TYR 66 HH TYR 66 17.376 -3.114 0.733 573 H PHE 67 H PHE 67 16.733 -7.712 8.437 574 HA PHE 67 HA PHE 67 18.486 -5.583 9.242 575 HB2 PHE 67 1HB PHE 67 16.469 -6.245 10.483 576 HB3 PHE 67 2HB PHE 67 17.195 -7.809 10.862 577 HD1 PHE 67 HD2 PHE 67 19.149 -7.947 12.438 578 HD2 PHE 67 HD1 PHE 67 17.002 -4.284 11.767 579 HE1 PHE 67 HE2 PHE 67 20.127 -6.996 14.519 580 HE2 PHE 67 HE1 PHE 67 17.945 -3.338 13.853 581 HZ PHE 67 HZ PHE 67 19.526 -4.683 15.233 582 H ASN 68 H ASN 68 18.882 -9.179 9.476 583 HA ASN 68 HA ASN 68 21.148 -8.992 11.166 584 HB2 ASN 68 1HB ASN 68 21.186 -11.221 11.092 585 HB3 ASN 68 2HB ASN 68 19.635 -11.056 10.278 586 HD21 ASN 68 2HD2 ASN 68 19.515 -11.514 8.063 587 HD22 ASN 68 1HD2 ASN 68 20.803 -12.346 7.233 588 H THR 69 H THR 69 20.916 -8.724 7.714 589 HA THR 69 HA THR 69 23.614 -9.131 7.013 590 HB THR 69 HB THR 69 21.686 -7.137 5.718 591 HG1 THR 69 HG1 THR 69 20.624 -9.097 5.807 592 HG21 THR 69 1HG2 THR 69 23.951 -8.823 4.572 593 HG22 THR 69 2HG2 THR 69 24.007 -7.064 4.834 594 HG23 THR 69 3HG2 THR 69 22.876 -7.752 3.647 595 H PHE 70 H PHE 70 22.019 -6.088 8.119 596 HA PHE 70 HA PHE 70 24.761 -4.881 8.244 597 HB2 PHE 70 1HB PHE 70 22.220 -3.846 7.084 598 HB3 PHE 70 2HB PHE 70 23.353 -2.702 7.807 599 HD1 PHE 70 HD1 PHE 70 25.769 -2.677 6.993 600 HD2 PHE 70 HD2 PHE 70 22.592 -4.681 4.893 601 HE1 PHE 70 HE1 PHE 70 27.135 -2.643 4.908 602 HE2 PHE 70 HE2 PHE 70 23.949 -4.658 2.804 603 HZ PHE 70 HZ PHE 70 26.225 -3.635 2.806 604 H GLY 71 H GLY 71 22.114 -5.647 10.213 605 HA2 GLY 71 1HA GLY 71 21.887 -5.089 12.472 606 HA3 GLY 71 2HA GLY 71 23.144 -3.857 12.293 607 HA PRO 72 HA PRO 72 18.991 -1.864 12.689 608 HB2 PRO 72 1HB PRO 72 19.677 0.146 14.400 609 HB3 PRO 72 2HB PRO 72 19.369 -1.531 14.953 610 HG2 PRO 72 1HG PRO 72 21.996 -0.226 14.304 611 HG3 PRO 72 2HG PRO 72 21.511 -1.099 15.792 612 HD2 PRO 72 1HD PRO 72 22.889 -2.338 13.848 613 HD3 PRO 72 2HD PRO 72 21.561 -3.191 14.713 614 H GLU 73 H GLU 73 21.988 -0.765 11.468 615 HA GLU 73 HA GLU 73 21.179 1.920 10.782 616 HB2 GLU 73 1HB GLU 73 23.378 0.202 9.580 617 HB3 GLU 73 2HB GLU 73 23.248 1.965 9.511 618 HG2 GLU 73 1HG GLU 73 23.751 0.244 11.963 619 HG3 GLU 73 2HG GLU 73 24.885 1.349 11.179 620 H LYS 74 H LYS 74 20.191 -1.044 9.578 621 HA LYS 74 HA LYS 74 19.514 0.193 6.923 622 HB2 LYS 74 1HB LYS 74 20.677 -2.381 7.592 623 HB3 LYS 74 2HB LYS 74 19.163 -2.584 6.707 624 HG2 LYS 74 1HG LYS 74 21.044 -2.540 5.159 625 HG3 LYS 74 2HG LYS 74 20.007 -1.129 4.895 626 HD2 LYS 74 1HD LYS 74 21.565 0.319 6.062 627 HD3 LYS 74 2HD LYS 74 22.533 -1.065 6.583 628 HE2 LYS 74 1HE LYS 74 23.037 -1.571 4.200 629 HE3 LYS 74 2HE LYS 74 22.142 -0.104 3.733 630 HZ1 LYS 74 3HZ LYS 74 23.687 1.168 5.122 631 HZ2 LYS 74 1HZ LYS 74 24.499 0.351 3.938 632 HZ3 LYS 74 2HZ LYS 74 24.527 -0.202 5.491 633 H VAL 75 H VAL 75 18.321 -1.995 9.510 634 HA VAL 75 HA VAL 75 15.577 -1.088 8.709 635 HB VAL 75 HB VAL 75 16.383 -3.809 9.862 636 HG11 VAL 75 1HG1 VAL 75 13.633 -2.738 9.094 637 HG12 VAL 75 2HG1 VAL 75 13.990 -4.418 9.564 638 HG13 VAL 75 3HG1 VAL 75 14.202 -3.111 10.740 639 HG21 VAL 75 3HG2 VAL 75 15.482 -4.708 7.720 640 HG22 VAL 75 1HG2 VAL 75 15.361 -3.040 7.111 641 HG23 VAL 75 2HG2 VAL 75 16.945 -3.730 7.526 642 HA PRO 76 HA PRO 76 16.206 0.276 12.859 643 HB2 PRO 76 1HB PRO 76 13.781 1.333 13.504 644 HB3 PRO 76 2HB PRO 76 14.889 2.135 12.366 645 HG2 PRO 76 1HG PRO 76 12.537 0.386 11.766 646 HG3 PRO 76 2HG PRO 76 12.954 1.984 11.079 647 HD2 PRO 76 1HD PRO 76 13.532 -0.347 9.798 648 HD3 PRO 76 2HD PRO 76 14.611 1.089 9.698 649 H VAL 77 H VAL 77 15.804 -0.522 14.976 650 HA VAL 77 HA VAL 77 14.594 -3.110 15.128 651 HB VAL 77 HB VAL 77 14.880 -2.882 17.593 652 HG11 VAL 77 1HG1 VAL 77 16.743 -3.645 16.142 653 HG12 VAL 77 2HG1 VAL 77 17.303 -1.964 15.981 654 HG13 VAL 77 3HG1 VAL 77 17.331 -2.765 17.568 655 HG21 VAL 77 3HG2 VAL 77 15.913 -0.078 16.950 656 HG22 VAL 77 1HG2 VAL 77 14.401 -0.454 17.815 657 HG23 VAL 77 2HG2 VAL 77 15.964 -0.880 18.531 658 H THR 78 H THR 78 13.252 0.097 15.330 659 HA THR 78 HA THR 78 10.906 -0.691 16.821 660 HB THR 78 HB THR 78 11.771 1.716 16.467 661 HG1 THR 78 HG1 THR 78 9.693 2.456 16.807 662 HG21 THR 78 1HG2 THR 78 9.928 1.640 14.090 663 HG22 THR 78 2HG2 THR 78 11.693 1.555 13.926 664 HG23 THR 78 3HG2 THR 78 10.940 2.983 14.655 665 H ALA 79 H ALA 79 11.907 -1.150 13.494 666 HA ALA 79 HA ALA 79 9.280 -1.278 12.351 667 HB1 ALA 79 3HB ALA 79 11.803 -2.821 11.631 668 HB2 ALA 79 1HB ALA 79 10.346 -2.688 10.618 669 HB3 ALA 79 2HB ALA 79 11.312 -1.241 10.978 670 H PHE 80 H PHE 80 11.238 -3.615 14.187 671 HA PHE 80 HA PHE 80 9.389 -5.805 13.820 672 HB2 PHE 80 1HB PHE 80 11.449 -5.305 15.997 673 HB3 PHE 80 2HB PHE 80 10.639 -6.843 15.673 674 HD1 PHE 80 HD2 PHE 80 11.223 -8.195 13.716 675 HD2 PHE 80 HD1 PHE 80 13.199 -4.464 14.516 676 HE1 PHE 80 HE2 PHE 80 12.990 -8.785 12.082 677 HE2 PHE 80 HE1 PHE 80 14.965 -5.024 12.873 678 HZ PHE 80 HZ PHE 80 14.857 -7.195 11.637 679 H SER 81 H SER 81 9.667 -3.126 16.088 680 HA SER 81 HA SER 81 7.841 -4.225 18.058 681 HB2 SER 81 1HB SER 81 9.500 -2.413 18.549 682 HB3 SER 81 2HB SER 81 8.556 -1.310 17.528 683 HG SER 81 HG SER 81 6.777 -1.685 18.951 684 H TYR 82 H TYR 82 7.594 -1.941 15.328 685 HA TYR 82 HA TYR 82 4.782 -1.445 15.543 686 HB2 TYR 82 1HB TYR 82 6.922 -1.175 13.468 687 HB3 TYR 82 2HB TYR 82 5.256 -1.247 12.885 688 HD1 TYR 82 HD2 TYR 82 7.670 0.775 14.904 689 HD2 TYR 82 HD1 TYR 82 3.662 0.493 13.336 690 HE1 TYR 82 HE2 TYR 82 7.299 3.182 15.405 691 HE2 TYR 82 HE1 TYR 82 3.315 2.924 13.841 692 HH TYR 82 HH TYR 82 5.857 4.955 15.286 693 H TRP 83 H TRP 83 6.721 -3.860 13.756 694 HA TRP 83 HA TRP 83 4.605 -5.124 12.404 695 HB2 TRP 83 1HB TRP 83 6.968 -5.539 11.925 696 HB3 TRP 83 2HB TRP 83 7.212 -6.192 13.533 697 HD1 TRP 83 HD1 TRP 83 5.568 -7.174 10.208 698 HE1 TRP 83 HE1 TRP 83 5.196 -9.693 10.145 699 HE3 TRP 83 HE3 TRP 83 7.015 -8.210 14.998 700 HZ2 TRP 83 HZ2 TRP 83 5.472 -11.858 11.950 701 HZ3 TRP 83 HZ3 TRP 83 6.962 -10.583 15.781 702 HH2 TRP 83 HH2 TRP 83 6.191 -12.397 14.249 703 H ASN 84 H ASN 84 5.876 -5.678 15.695 704 HA ASN 84 HA ASN 84 4.343 -8.017 16.262 705 HB2 ASN 84 1HB ASN 84 5.854 -5.988 17.840 706 HB3 ASN 84 2HB ASN 84 4.627 -6.913 18.712 707 HD21 ASN 84 2HD2 ASN 84 7.772 -6.942 17.381 708 HD22 ASN 84 1HD2 ASN 84 8.151 -8.605 17.775 709 H LEU 85 H LEU 85 3.529 -4.579 16.358 710 HA LEU 85 HA LEU 85 1.227 -4.803 18.050 711 HB2 LEU 85 1HB LEU 85 2.501 -2.733 17.418 712 HB3 LEU 85 2HB LEU 85 1.784 -2.809 15.823 713 HG LEU 85 HG LEU 85 0.094 -2.495 18.306 714 HD11 LEU 85 1HD1 LEU 85 1.410 -0.330 16.609 715 HD12 LEU 85 2HD1 LEU 85 1.797 -0.727 18.301 716 HD13 LEU 85 3HD1 LEU 85 0.208 -0.052 17.893 717 HD21 LEU 85 3HD2 LEU 85 -1.194 -3.039 16.298 718 HD22 LEU 85 1HD2 LEU 85 -0.339 -1.792 15.366 719 HD23 LEU 85 2HD2 LEU 85 -1.436 -1.329 16.685 720 H ILE 86 H ILE 86 1.653 -4.967 14.480 721 HA ILE 86 HA ILE 86 -1.195 -5.381 14.078 722 HB ILE 86 HB ILE 86 1.099 -5.904 12.151 723 HG12 ILE 86 1HG1 ILE 86 -0.441 -3.622 11.432 724 HG13 ILE 86 2HG1 ILE 86 -0.086 -3.449 13.151 725 HG21 ILE 86 1HG2 ILE 86 -0.906 -7.085 11.435 726 HG22 ILE 86 2HG2 ILE 86 -1.924 -5.664 11.750 727 HG23 ILE 86 3HG2 ILE 86 -0.731 -5.643 10.420 728 HD11 ILE 86 3HD1 ILE 86 2.337 -3.957 12.552 729 HD12 ILE 86 1HD1 ILE 86 1.854 -3.727 10.856 730 HD13 ILE 86 2HD1 ILE 86 1.690 -2.391 12.021 731 H LYS 87 H LYS 87 1.645 -7.417 14.606 732 HA LYS 87 HA LYS 87 0.556 -9.866 13.680 733 HB2 LYS 87 1HB LYS 87 2.686 -10.357 14.186 734 HB3 LYS 87 2HB LYS 87 2.812 -8.995 15.284 735 HG2 LYS 87 1HG LYS 87 1.817 -10.360 17.098 736 HG3 LYS 87 2HG LYS 87 1.747 -11.750 15.998 737 HD2 LYS 87 1HD LYS 87 4.146 -11.789 15.827 738 HD3 LYS 87 2HD LYS 87 4.269 -10.229 16.660 739 HE2 LYS 87 1HE LYS 87 3.189 -11.292 18.674 740 HE3 LYS 87 2HE LYS 87 3.336 -12.862 17.856 741 HZ1 LYS 87 3HZ LYS 87 5.206 -12.416 19.339 742 HZ2 LYS 87 1HZ LYS 87 5.581 -11.033 18.517 743 HZ3 LYS 87 2HZ LYS 87 5.738 -12.503 17.779 744 H GLU 88 H GLU 88 0.257 -8.335 16.953 745 HA GLU 88 HA GLU 88 -1.335 -10.595 17.839 746 HB2 GLU 88 1HB GLU 88 -1.718 -9.338 19.862 747 HB3 GLU 88 2HB GLU 88 -0.011 -9.311 19.406 748 HG2 GLU 88 1HG GLU 88 -0.294 -7.038 18.502 749 HG3 GLU 88 2HG GLU 88 -1.990 -7.052 19.013 750 H LEU 89 H LEU 89 -2.074 -7.576 16.190 751 HA LEU 89 HA LEU 89 -4.893 -7.610 16.763 752 HB2 LEU 89 1HB LEU 89 -3.281 -6.436 14.498 753 HB3 LEU 89 2HB LEU 89 -5.030 -6.318 14.567 754 HG LEU 89 HG LEU 89 -3.134 -5.180 16.644 755 HD11 LEU 89 1HD1 LEU 89 -2.976 -4.021 14.492 756 HD12 LEU 89 2HD1 LEU 89 -3.815 -3.001 15.676 757 HD13 LEU 89 3HD1 LEU 89 -4.746 -3.856 14.427 758 HD21 LEU 89 3HD2 LEU 89 -6.152 -5.211 16.422 759 HD22 LEU 89 1HD2 LEU 89 -5.316 -3.894 17.262 760 HD23 LEU 89 2HD2 LEU 89 -5.130 -5.568 17.826 761 H ILE 90 H ILE 90 -2.901 -9.114 14.197 762 HA ILE 90 HA ILE 90 -5.248 -10.256 12.884 763 HB ILE 90 HB ILE 90 -2.300 -11.051 12.637 764 HG12 ILE 90 1HG1 ILE 90 -3.982 -9.357 10.744 765 HG13 ILE 90 2HG1 ILE 90 -2.906 -8.666 11.958 766 HG21 ILE 90 1HG2 ILE 90 -2.998 -12.158 10.519 767 HG22 ILE 90 2HG2 ILE 90 -3.891 -12.850 11.879 768 HG23 ILE 90 3HG2 ILE 90 -4.684 -11.677 10.803 769 HD11 ILE 90 3HD1 ILE 90 -1.765 -8.684 9.809 770 HD12 ILE 90 1HD1 ILE 90 -0.971 -9.848 10.894 771 HD13 ILE 90 2HD1 ILE 90 -2.063 -10.423 9.611 772 H ASP 91 H ASP 91 -2.784 -11.397 15.228 773 HA ASP 91 HA ASP 91 -3.578 -14.131 15.276 774 HB2 ASP 91 1HB ASP 91 -1.498 -13.042 16.268 775 HB3 ASP 91 2HB ASP 91 -2.509 -12.541 17.631 776 H LYS 92 H LYS 92 -4.973 -11.270 16.766 777 HA LYS 92 HA LYS 92 -7.074 -13.023 17.979 778 HB2 LYS 92 1HB LYS 92 -5.977 -10.360 18.929 779 HB3 LYS 92 2HB LYS 92 -7.421 -11.122 19.604 780 HG2 LYS 92 1HG LYS 92 -4.737 -12.527 19.543 781 HG3 LYS 92 2HG LYS 92 -5.250 -11.495 20.888 782 HD2 LYS 92 1HD LYS 92 -7.060 -12.907 21.456 783 HD3 LYS 92 2HD LYS 92 -7.017 -13.751 19.906 784 HE2 LYS 92 1HE LYS 92 -4.708 -13.909 21.844 785 HE3 LYS 92 2HE LYS 92 -6.110 -15.002 21.929 786 HZ1 LYS 92 3HZ LYS 92 -5.669 -15.557 19.568 787 HZ2 LYS 92 1HZ LYS 92 -4.453 -16.025 20.577 788 HZ3 LYS 92 2HZ LYS 92 -4.261 -14.697 19.624 789 H LYS 93 H LYS 93 -7.058 -12.079 15.221 790 HA LYS 93 HA LYS 93 -8.870 -9.868 14.940 791 HB2 LYS 93 1HB LYS 93 -9.227 -10.671 12.679 792 HB3 LYS 93 2HB LYS 93 -7.517 -10.777 13.100 793 HG2 LYS 93 1HG LYS 93 -8.039 -13.275 13.683 794 HG3 LYS 93 2HG LYS 93 -9.507 -13.035 12.722 795 HD2 LYS 93 1HD LYS 93 -6.713 -12.375 11.706 796 HD3 LYS 93 2HD LYS 93 -7.433 -13.969 11.496 797 HE2 LYS 93 1HE LYS 93 -8.792 -11.453 10.532 798 HE3 LYS 93 2HE LYS 93 -7.606 -12.338 9.554 799 HZ1 LYS 93 3HZ LYS 93 -9.850 -13.045 9.053 800 HZ2 LYS 93 1HZ LYS 93 -10.117 -13.483 10.619 801 HZ3 LYS 93 2HZ LYS 93 -9.003 -14.299 9.714 802 H GLU 94 H GLU 94 -9.295 -13.085 16.025 803 HA GLU 94 HA GLU 94 -12.012 -13.605 15.444 804 HB2 GLU 94 1HB GLU 94 -11.779 -14.949 17.674 805 HB3 GLU 94 2HB GLU 94 -10.801 -15.415 16.275 806 HG2 GLU 94 1HG GLU 94 -8.829 -14.334 17.189 807 HG3 GLU 94 2HG GLU 94 -9.768 -13.603 18.496 808 H VAL 95 H VAL 95 -10.564 -11.647 18.056 809 HA VAL 95 HA VAL 95 -13.334 -11.131 19.072 810 HB VAL 95 HB VAL 95 -12.265 -10.608 21.260 811 HG11 VAL 95 1HG1 VAL 95 -11.794 -12.910 21.914 812 HG12 VAL 95 2HG1 VAL 95 -13.131 -12.896 20.746 813 HG13 VAL 95 3HG1 VAL 95 -11.501 -13.377 20.225 814 HG21 VAL 95 3HG2 VAL 95 -10.007 -9.964 20.408 815 HG22 VAL 95 1HG2 VAL 95 -9.919 -11.190 21.684 816 HG23 VAL 95 2HG2 VAL 95 -9.692 -11.667 19.990 817 H ASN 96 H ASN 96 -11.259 -9.824 17.051 818 HA ASN 96 HA ASN 96 -11.822 -7.030 17.990 819 HB2 ASN 96 1HB ASN 96 -9.362 -8.180 16.651 820 HB3 ASN 96 2HB ASN 96 -9.772 -6.461 16.550 821 HD21 ASN 96 2HD2 ASN 96 -8.446 -8.945 18.502 822 HD22 ASN 96 1HD2 ASN 96 -8.083 -7.922 19.879 823 HA PRO 97 HA PRO 97 -13.862 -8.121 14.019 824 HB2 PRO 97 1HB PRO 97 -16.141 -6.615 14.311 825 HB3 PRO 97 2HB PRO 97 -15.941 -8.252 15.017 826 HG2 PRO 97 1HG PRO 97 -15.502 -5.581 16.330 827 HG3 PRO 97 2HG PRO 97 -16.488 -6.967 16.897 828 HD2 PRO 97 1HD PRO 97 -13.997 -6.597 17.815 829 HD3 PRO 97 2HD PRO 97 -14.580 -8.251 17.413 830 H GLN 98 H GLN 98 -13.103 -4.998 15.456 831 HA GLN 98 HA GLN 98 -13.605 -3.392 13.142 832 HB2 GLN 98 1HB GLN 98 -11.820 -3.116 15.576 833 HB3 GLN 98 2HB GLN 98 -11.656 -1.993 14.223 834 HG2 GLN 98 1HG GLN 98 -13.080 -0.975 15.857 835 HG3 GLN 98 2HG GLN 98 -14.063 -1.397 14.447 836 HE21 GLN 98 2HE2 GLN 98 -13.224 -2.341 17.759 837 HE22 GLN 98 1HE2 GLN 98 -14.692 -3.244 18.046 838 H VAL 99 H VAL 99 -10.625 -5.056 14.371 839 HA VAL 99 HA VAL 99 -9.281 -4.166 11.990 840 HB VAL 99 HB VAL 99 -7.296 -5.179 12.753 841 HG11 VAL 99 1HG1 VAL 99 -8.301 -3.193 14.038 842 HG12 VAL 99 2HG1 VAL 99 -8.699 -4.363 15.323 843 HG13 VAL 99 3HG1 VAL 99 -7.014 -4.100 14.837 844 HG21 VAL 99 3HG2 VAL 99 -9.049 -6.880 14.531 845 HG22 VAL 99 1HG2 VAL 99 -7.884 -7.400 13.305 846 HG23 VAL 99 2HG2 VAL 99 -7.313 -6.684 14.822 847 H MET 100 H MET 100 -11.036 -7.067 12.909 848 HA MET 100 HA MET 100 -10.135 -8.793 10.840 849 HB2 MET 100 1HB MET 100 -11.559 -9.624 12.567 850 HB3 MET 100 2HB MET 100 -12.802 -8.426 12.220 851 HG2 MET 100 1HG MET 100 -13.475 -10.640 11.463 852 HG3 MET 100 2HG MET 100 -13.346 -9.497 10.122 853 HE1 MET 100 3HE MET 100 -13.428 -11.599 8.430 854 HE2 MET 100 1HE MET 100 -12.459 -10.178 7.976 855 HE3 MET 100 2HE MET 100 -11.821 -11.815 7.697 856 H ALA 101 H ALA 101 -12.642 -6.214 10.828 857 HA ALA 101 HA ALA 101 -13.443 -6.635 8.120 858 HB1 ALA 101 3HB ALA 101 -14.335 -4.336 8.267 859 HB2 ALA 101 1HB ALA 101 -14.717 -5.254 9.744 860 HB3 ALA 101 2HB ALA 101 -13.400 -4.055 9.755 861 H ALA 102 H ALA 102 -10.692 -4.896 9.564 862 HA ALA 102 HA ALA 102 -10.015 -3.563 7.072 863 HB1 ALA 102 3HB ALA 102 -7.940 -2.943 8.307 864 HB2 ALA 102 1HB ALA 102 -9.431 -2.513 9.174 865 HB3 ALA 102 2HB ALA 102 -8.496 -3.935 9.670 866 H VAL 103 H VAL 103 -9.187 -6.632 8.666 867 HA VAL 103 HA VAL 103 -6.877 -7.231 7.055 868 HB VAL 103 HB VAL 103 -8.936 -9.118 8.337 869 HG11 VAL 103 1HG1 VAL 103 -7.824 -10.344 6.565 870 HG12 VAL 103 2HG1 VAL 103 -6.240 -9.727 7.073 871 HG13 VAL 103 3HG1 VAL 103 -7.123 -10.860 8.112 872 HG21 VAL 103 3HG2 VAL 103 -7.266 -9.424 10.099 873 HG22 VAL 103 1HG2 VAL 103 -6.141 -8.330 9.260 874 HG23 VAL 103 2HG2 VAL 103 -7.655 -7.711 9.935 875 H ALA 104 H ALA 104 -10.359 -8.016 6.710 876 HA ALA 104 HA ALA 104 -10.061 -9.348 4.204 877 HB1 ALA 104 3HB ALA 104 -12.065 -9.601 5.603 878 HB2 ALA 104 1HB ALA 104 -12.465 -7.878 5.387 879 HB3 ALA 104 2HB ALA 104 -12.519 -8.987 3.995 880 H GLN 105 H GLN 105 -10.872 -5.942 5.008 881 HA GLN 105 HA GLN 105 -11.203 -5.095 2.314 882 HB2 GLN 105 1HB GLN 105 -10.402 -3.679 4.861 883 HB3 GLN 105 2HB GLN 105 -10.489 -2.822 3.311 884 HG2 GLN 105 1HG GLN 105 -12.855 -3.401 3.068 885 HG3 GLN 105 2HG GLN 105 -12.815 -4.321 4.574 886 HE21 GLN 105 2HE2 GLN 105 -10.853 -1.985 5.463 887 HE22 GLN 105 1HE2 GLN 105 -11.979 -0.761 5.994 888 H THR 106 H THR 106 -8.193 -5.344 4.333 889 HA THR 106 HA THR 106 -6.635 -3.967 2.330 890 HB THR 106 HB THR 106 -5.613 -5.960 4.395 891 HG1 THR 106 HG1 THR 106 -6.757 -4.346 5.447 892 HG21 THR 106 1HG2 THR 106 -3.933 -5.325 2.709 893 HG22 THR 106 2HG2 THR 106 -3.574 -4.533 4.257 894 HG23 THR 106 3HG2 THR 106 -4.327 -3.609 2.945 895 H GLU 107 H GLU 107 -7.498 -7.416 2.880 896 HA GLU 107 HA GLU 107 -5.729 -8.456 0.876 897 HB2 GLU 107 1HB GLU 107 -8.399 -9.444 1.935 898 HB3 GLU 107 2HB GLU 107 -7.464 -10.319 0.716 899 HG2 GLU 107 1HG GLU 107 -5.554 -10.423 2.277 900 HG3 GLU 107 2HG GLU 107 -6.537 -9.637 3.514 901 H GLU 108 H GLU 108 -9.108 -7.207 0.683 902 HA GLU 108 HA GLU 108 -9.401 -7.799 -2.107 903 HB2 GLU 108 1HB GLU 108 -10.717 -5.729 -0.322 904 HB3 GLU 108 2HB GLU 108 -11.179 -6.005 -2.006 905 HG2 GLU 108 1HG GLU 108 -11.715 -8.360 -1.465 906 HG3 GLU 108 2HG GLU 108 -11.308 -8.048 0.229 907 H ILE 109 H ILE 109 -8.235 -4.868 -0.406 908 HA ILE 109 HA ILE 109 -7.984 -3.264 -2.777 909 HB ILE 109 HB ILE 109 -6.546 -3.139 -0.078 910 HG12 ILE 109 1HG1 ILE 109 -8.662 -1.277 -1.219 911 HG13 ILE 109 2HG1 ILE 109 -9.093 -2.734 -0.328 912 HG21 ILE 109 1HG2 ILE 109 -6.487 -1.099 -2.372 913 HG22 ILE 109 2HG2 ILE 109 -5.878 -0.796 -0.730 914 HG23 ILE 109 3HG2 ILE 109 -5.100 -2.019 -1.743 915 HD11 ILE 109 3HD1 ILE 109 -7.556 -0.340 0.744 916 HD12 ILE 109 1HD1 ILE 109 -9.183 -0.888 1.203 917 HD13 ILE 109 2HD1 ILE 109 -7.764 -1.871 1.632 918 H LEU 110 H LEU 110 -5.770 -5.563 -1.159 919 HA LEU 110 HA LEU 110 -3.534 -4.997 -2.873 920 HB2 LEU 110 1HB LEU 110 -4.326 -7.102 -0.938 921 HB3 LEU 110 2HB LEU 110 -3.161 -7.598 -2.159 922 HG LEU 110 HG LEU 110 -1.543 -6.048 -1.434 923 HD11 LEU 110 1HD1 LEU 110 -3.613 -4.737 0.358 924 HD12 LEU 110 2HD1 LEU 110 -2.817 -4.014 -1.054 925 HD13 LEU 110 3HD1 LEU 110 -1.873 -4.400 0.389 926 HD21 LEU 110 3HD2 LEU 110 -1.265 -6.628 0.966 927 HD22 LEU 110 1HD2 LEU 110 -1.753 -8.022 -0.011 928 HD23 LEU 110 2HD2 LEU 110 -2.951 -7.192 1.002 929 H LYS 111 H LYS 111 -6.216 -7.394 -3.180 930 HA LYS 111 HA LYS 111 -5.205 -8.499 -5.647 931 HB2 LYS 111 1HB LYS 111 -8.057 -8.315 -4.595 932 HB3 LYS 111 2HB LYS 111 -7.527 -9.348 -5.924 933 HG2 LYS 111 1HG LYS 111 -6.547 -9.584 -3.069 934 HG3 LYS 111 2HG LYS 111 -7.843 -10.551 -3.771 935 HD2 LYS 111 1HD LYS 111 -6.305 -11.535 -5.346 936 HD3 LYS 111 2HD LYS 111 -5.016 -10.422 -4.834 937 HE2 LYS 111 1HE LYS 111 -4.815 -12.722 -3.850 938 HE3 LYS 111 2HE LYS 111 -4.863 -11.393 -2.694 939 HZ1 LYS 111 3HZ LYS 111 -6.215 -13.178 -1.929 940 HZ2 LYS 111 1HZ LYS 111 -7.136 -13.160 -3.302 941 HZ3 LYS 111 2HZ LYS 111 -7.171 -11.881 -2.260 942 H SER 112 H SER 112 -7.147 -5.660 -4.898 943 HA SER 112 HA SER 112 -8.127 -5.303 -7.601 944 HB2 SER 112 1HB SER 112 -9.225 -4.412 -5.537 945 HB3 SER 112 2HB SER 112 -7.876 -3.280 -5.344 946 HG SER 112 HG SER 112 -8.472 -2.730 -7.671 947 H ASN 113 H ASN 113 -5.186 -4.465 -5.937 948 HA ASN 113 HA ASN 113 -4.526 -2.308 -7.828 949 HB2 ASN 113 1HB ASN 113 -3.325 -3.474 -5.356 950 HB3 ASN 113 2HB ASN 113 -2.219 -2.733 -6.520 951 HD21 ASN 113 2HD2 ASN 113 -4.737 -2.176 -4.204 952 HD22 ASN 113 1HD2 ASN 113 -4.648 -0.423 -4.257 953 H SER 114 H SER 114 -3.565 -2.578 -9.710 954 HA SER 114 HA SER 114 -2.812 -5.110 -10.733 955 HB2 SER 114 1HB SER 114 -1.973 -2.325 -11.644 956 HB3 SER 114 2HB SER 114 -1.889 -3.815 -12.611 957 HG SER 114 HG SER 114 -3.788 -2.459 -12.964 958 H GLN 115 H GLN 115 -0.980 -6.183 -10.599 959 HA GLN 115 HA GLN 115 1.369 -4.819 -9.404 960 HB2 GLN 115 1HB GLN 115 0.450 -6.476 -7.877 961 HB3 GLN 115 2HB GLN 115 0.485 -7.709 -9.139 962 HG2 GLN 115 1HG GLN 115 2.335 -8.045 -7.567 963 HG3 GLN 115 2HG GLN 115 2.958 -7.647 -9.167 964 HE21 GLN 115 2HE2 GLN 115 3.615 -7.194 -6.053 965 HE22 GLN 115 1HE2 GLN 115 4.348 -5.614 -6.127 966 H THR 116 H THR 116 2.588 -4.262 -11.022 967 HA THR 116 HA THR 116 3.371 -6.335 -12.995 968 HB THR 116 HB THR 116 4.031 -4.397 -14.425 969 HG1 THR 116 HG1 THR 116 4.357 -2.792 -12.947 970 HG21 THR 116 1HG2 THR 116 1.800 -3.677 -15.049 971 HG22 THR 116 2HG2 THR 116 1.159 -4.161 -13.465 972 HG23 THR 116 3HG2 THR 116 1.733 -5.400 -14.610 973 H ASP 117 H ASP 117 4.263 -4.740 -10.295 974 HA ASP 117 HA ASP 117 7.171 -4.565 -10.895 975 HB2 ASP 117 1HB ASP 117 6.090 -2.703 -9.681 976 HB3 ASP 117 2HB ASP 117 5.537 -3.829 -8.439 977 H LEU 118 H LEU 118 7.401 -6.884 -11.175 978 HA LEU 118 HA LEU 118 7.695 -8.277 -8.615 979 HB2 LEU 118 1HB LEU 118 6.332 -10.132 -9.269 980 HB3 LEU 118 2HB LEU 118 5.365 -8.674 -9.291 981 HG LEU 118 HG LEU 118 6.252 -8.921 -11.932 982 HD11 LEU 118 1HD1 LEU 118 5.672 -11.239 -12.561 983 HD12 LEU 118 2HD1 LEU 118 5.481 -11.665 -10.840 984 HD13 LEU 118 3HD1 LEU 118 7.075 -11.196 -11.485 985 HD21 LEU 118 3HD2 LEU 118 4.063 -8.191 -11.211 986 HD22 LEU 118 1HD2 LEU 118 3.664 -9.828 -10.651 987 HD23 LEU 118 2HD2 LEU 118 3.914 -9.504 -12.387 988 H GLU 119 H GLU 119 9.040 -9.991 -8.605 989 HA GLU 119 HA GLU 119 10.742 -10.340 -11.011 990 HB2 GLU 119 1HB GLU 119 10.985 -11.424 -8.189 991 HB3 GLU 119 2HB GLU 119 12.215 -11.553 -9.447 992 HG2 GLU 119 1HG GLU 119 12.621 -9.186 -9.387 993 HG3 GLU 119 2HG GLU 119 11.226 -8.919 -8.319 994 H HIS 120 H HIS 120 8.702 -12.205 -8.746 995 HA HIS 120 HA HIS 120 8.798 -14.547 -10.594 996 HB2 HIS 120 1HB HIS 120 10.088 -14.263 -7.947 997 HB3 HIS 120 2HB HIS 120 9.064 -15.695 -8.078 998 HD1 HIS 120 HD1 HIS 120 11.381 -14.184 -10.772 999 HD2 HIS 120 HD2 HIS 120 10.880 -17.685 -8.503 1000 HE1 HIS 120 HE1 HIS 120 13.131 -15.862 -11.578 1001 H HIS 121 H HIS 121 6.665 -14.866 -11.032 1002 HA HIS 121 HA HIS 121 4.627 -14.848 -8.933 1003 HB2 HIS 121 1HB HIS 121 4.678 -16.090 -11.717 1004 HB3 HIS 121 2HB HIS 121 3.306 -16.210 -10.614 1005 HD1 HIS 121 HD1 HIS 121 2.728 -13.467 -9.616 1006 HD2 HIS 121 HD2 HIS 121 4.107 -14.116 -13.526 1007 HE1 HIS 121 HE1 HIS 121 1.990 -11.464 -11.007 1008 H HIS 122 H HIS 122 4.121 -16.512 -7.567 1009 HA HIS 122 HA HIS 122 6.026 -18.693 -7.317 1010 HB2 HIS 122 1HB HIS 122 3.367 -18.164 -5.922 1011 HB3 HIS 122 2HB HIS 122 4.525 -19.414 -5.452 1012 HD1 HIS 122 HD1 HIS 122 3.850 -17.376 -3.272 1013 HD2 HIS 122 HD2 HIS 122 6.925 -16.754 -6.093 1014 HE1 HIS 122 HE1 HIS 122 5.471 -15.703 -2.266 1015 H HIS 123 H HIS 123 5.194 -21.042 -7.139 1016 HA HIS 123 HA HIS 123 3.198 -21.592 -9.322 1017 HB2 HIS 123 1HB HIS 123 5.755 -23.102 -8.615 1018 HB3 HIS 123 2HB HIS 123 4.508 -23.705 -9.715 1019 HD1 HIS 123 HD1 HIS 123 7.223 -23.483 -10.967 1020 HD2 HIS 123 HD2 HIS 123 4.562 -20.237 -10.843 1021 HE1 HIS 123 HE1 HIS 123 7.898 -21.895 -12.844 1022 H HIS 124 H HIS 124 1.791 -23.331 -8.914 1023 HA HIS 124 HA HIS 124 0.345 -24.534 -7.598 1024 HB2 HIS 124 1HB HIS 124 3.006 -25.295 -6.403 1025 HB3 HIS 124 2HB HIS 124 1.552 -25.750 -5.532 1026 HD1 HIS 124 HD1 HIS 124 3.789 -27.435 -7.494 1027 HD2 HIS 124 HD2 HIS 124 -0.350 -26.876 -7.883 1028 HE1 HIS 124 HE1 HIS 124 2.914 -29.335 -8.958 1029 H HIS 125 H HIS 125 0.205 -24.845 -4.741 1030 HA HIS 125 HA HIS 125 0.406 -22.147 -3.608 1031 HB2 HIS 125 1HB HIS 125 -1.882 -22.102 -2.814 1032 HB3 HIS 125 2HB HIS 125 -1.936 -22.239 -4.574 1033 HD1 HIS 125 HD1 HIS 125 -3.958 -23.648 -5.116 1034 HD2 HIS 125 HD2 HIS 125 -1.834 -25.143 -1.824 1035 HE1 HIS 125 HE1 HIS 125 -5.108 -25.817 -4.415 Start of MODEL 11 1 H21 MYR 1 1H2 MYR 1 0.979 -0.159 -1.046 2 H22 MYR 1 2H2 MYR 1 2.182 -0.645 0.143 3 H31 MYR 1 1H3 MYR 1 -0.695 -1.746 0.009 4 H32 MYR 1 2H3 MYR 1 0.713 -2.554 -0.674 5 H41 MYR 1 1H4 MYR 1 1.759 -2.559 1.672 6 H42 MYR 1 2H4 MYR 1 0.248 -1.937 2.308 7 H51 MYR 1 1H5 MYR 1 -0.914 -3.956 1.978 8 H52 MYR 1 2H5 MYR 1 0.093 -4.444 0.624 9 H61 MYR 1 1H6 MYR 1 0.567 -5.932 2.471 10 H62 MYR 1 2H6 MYR 1 1.989 -4.970 2.135 11 H71 MYR 1 1H7 MYR 1 1.963 -4.908 4.461 12 H72 MYR 1 2H7 MYR 1 1.132 -3.406 4.115 13 H81 MYR 1 1H8 MYR 1 -1.093 -4.775 4.380 14 H82 MYR 1 2H8 MYR 1 -0.079 -6.083 4.996 15 H91 MYR 1 1H9 MYR 1 -0.502 -3.301 6.191 16 H92 MYR 1 2H9 MYR 1 0.880 -4.267 6.663 17 H101 MYR 1 1H10 MYR 1 -0.757 -4.655 8.336 18 H102 MYR 1 2H10 MYR 1 -0.705 -6.131 7.382 19 H111 MYR 1 1H11 MYR 1 -2.815 -3.919 7.001 20 H112 MYR 1 2H11 MYR 1 -2.796 -5.494 6.202 21 H121 MYR 1 1H12 MYR 1 -3.037 -6.642 8.412 22 H122 MYR 1 2H12 MYR 1 -3.031 -5.078 9.231 23 H131 MYR 1 1H13 MYR 1 -5.131 -4.427 7.996 24 H132 MYR 1 2H13 MYR 1 -5.145 -6.000 7.198 25 H141 MYR 1 1H14 MYR 1 -5.332 -5.547 10.230 26 H142 MYR 1 2H14 MYR 1 -6.671 -5.994 9.164 27 H143 MYR 1 3H14 MYR 1 -5.343 -7.133 9.434 28 H GLY 2 H GLY 2 2.116 0.173 2.164 29 HA2 GLY 2 1HA GLY 2 0.014 1.167 3.646 30 HA3 GLY 2 2HA GLY 2 1.687 1.687 3.847 31 H GLN 3 H GLN 3 2.009 3.046 1.315 32 HA GLN 3 HA GLN 3 0.786 5.552 2.080 33 HB2 GLN 3 1HB GLN 3 2.130 4.754 -0.523 34 HB3 GLN 3 2HB GLN 3 1.711 6.407 -0.051 35 HG2 GLN 3 1HG GLN 3 3.650 4.604 1.434 36 HG3 GLN 3 2HG GLN 3 4.114 5.874 0.308 37 HE21 GLN 3 2HE2 GLN 3 2.999 5.113 3.518 38 HE22 GLN 3 1HE2 GLN 3 3.148 6.731 4.162 39 H GLU 4 H GLU 4 -0.023 3.074 -0.372 40 HA GLU 4 HA GLU 4 -2.130 4.639 -1.560 41 HB2 GLU 4 1HB GLU 4 -2.155 2.969 -3.036 42 HB3 GLU 4 2HB GLU 4 -0.834 2.238 -2.125 43 HG2 GLU 4 1HG GLU 4 -2.582 0.988 -0.763 44 HG3 GLU 4 2HG GLU 4 -3.809 1.617 -1.874 45 H LEU 5 H LEU 5 -1.898 2.448 1.229 46 HA LEU 5 HA LEU 5 -4.735 2.187 1.592 47 HB2 LEU 5 1HB LEU 5 -2.444 1.944 3.551 48 HB3 LEU 5 2HB LEU 5 -4.113 1.569 3.947 49 HG LEU 5 HG LEU 5 -2.468 0.143 1.831 50 HD11 LEU 5 1HD1 LEU 5 -3.292 -0.759 4.615 51 HD12 LEU 5 2HD1 LEU 5 -1.652 -0.273 4.122 52 HD13 LEU 5 3HD1 LEU 5 -2.397 -1.720 3.416 53 HD21 LEU 5 3HD2 LEU 5 -4.831 0.038 1.284 54 HD22 LEU 5 1HD2 LEU 5 -5.233 -0.442 2.949 55 HD23 LEU 5 2HD2 LEU 5 -4.300 -1.534 1.900 56 H SER 6 H SER 6 -2.352 4.564 2.912 57 HA SER 6 HA SER 6 -4.318 6.027 4.406 58 HB2 SER 6 1HB SER 6 -2.531 7.950 3.704 59 HB3 SER 6 2HB SER 6 -2.295 6.800 5.035 60 HG SER 6 HG SER 6 -1.389 6.426 2.356 61 H GLN 7 H GLN 7 -3.617 5.940 0.948 62 HA GLN 7 HA GLN 7 -5.110 8.433 0.422 63 HB2 GLN 7 1HB GLN 7 -4.010 6.249 -1.380 64 HB3 GLN 7 2HB GLN 7 -4.859 7.679 -1.969 65 HG2 GLN 7 1HG GLN 7 -3.126 9.137 -1.237 66 HG3 GLN 7 2HG GLN 7 -2.354 7.870 -0.275 67 HE21 GLN 7 2HE2 GLN 7 -3.610 7.834 -3.617 68 HE22 GLN 7 1HE2 GLN 7 -2.094 7.374 -4.349 69 H HIS 8 H HIS 8 -5.722 5.047 0.798 70 HA HIS 8 HA HIS 8 -8.219 4.981 -0.714 71 HB2 HIS 8 1HB HIS 8 -6.457 3.106 -0.052 72 HB3 HIS 8 2HB HIS 8 -7.414 2.950 1.392 73 HD1 HIS 8 HD1 HIS 8 -7.340 2.225 -2.290 74 HD2 HIS 8 HD2 HIS 8 -10.026 1.830 0.908 75 HE1 HIS 8 HE1 HIS 8 -9.207 0.673 -3.075 76 H GLU 9 H GLU 9 -9.162 6.926 0.399 77 HA GLU 9 HA GLU 9 -9.445 7.195 3.135 78 HB2 GLU 9 1HB GLU 9 -10.007 8.858 1.353 79 HB3 GLU 9 2HB GLU 9 -11.560 8.032 1.149 80 HG2 GLU 9 1HG GLU 9 -12.129 8.502 3.497 81 HG3 GLU 9 2HG GLU 9 -10.547 9.261 3.742 82 H ARG 10 H ARG 10 -11.452 5.125 1.086 83 HA ARG 10 HA ARG 10 -13.559 4.712 3.000 84 HB2 ARG 10 1HB ARG 10 -12.518 2.877 0.810 85 HB3 ARG 10 2HB ARG 10 -14.040 2.663 1.688 86 HG2 ARG 10 1HG ARG 10 -14.851 4.834 0.815 87 HG3 ARG 10 2HG ARG 10 -13.334 5.042 -0.079 88 HD2 ARG 10 1HD ARG 10 -13.815 2.919 -1.307 89 HD3 ARG 10 2HD ARG 10 -15.385 2.832 -0.491 90 HE ARG 10 HE ARG 10 -14.570 4.685 -2.635 91 HH11 ARG 10 1HH1 ARG 10 -17.074 3.904 -0.260 92 HH12 ARG 10 2HH1 ARG 10 -18.270 4.871 -1.078 93 HH21 ARG 10 1HH2 ARG 10 -16.150 5.899 -3.607 94 HH22 ARG 10 2HH2 ARG 10 -17.757 5.966 -2.939 95 H TYR 11 H TYR 11 -10.345 3.347 2.685 96 HA TYR 11 HA TYR 11 -10.813 1.209 4.660 97 HB2 TYR 11 1HB TYR 11 -9.308 0.918 2.719 98 HB3 TYR 11 2HB TYR 11 -8.332 2.276 3.259 99 HD1 TYR 11 HD2 TYR 11 -9.388 -1.172 4.185 100 HD2 TYR 11 HD1 TYR 11 -6.533 1.985 4.769 101 HE1 TYR 11 HE2 TYR 11 -7.893 -2.751 5.395 102 HE2 TYR 11 HE1 TYR 11 -5.037 0.397 5.986 103 HH TYR 11 HH TYR 11 -5.772 -3.068 6.255 104 H VAL 12 H VAL 12 -9.205 4.368 4.319 105 HA VAL 12 HA VAL 12 -8.023 4.608 6.872 106 HB VAL 12 HB VAL 12 -9.296 6.707 5.070 107 HG11 VAL 12 1HG1 VAL 12 -8.001 8.410 6.318 108 HG12 VAL 12 2HG1 VAL 12 -9.255 7.653 7.314 109 HG13 VAL 12 3HG1 VAL 12 -7.559 7.174 7.510 110 HG21 VAL 12 3HG2 VAL 12 -6.399 5.958 5.563 111 HG22 VAL 12 1HG2 VAL 12 -7.349 5.524 4.129 112 HG23 VAL 12 2HG2 VAL 12 -6.984 7.224 4.461 113 H GLU 13 H GLU 13 -11.411 5.222 5.856 114 HA GLU 13 HA GLU 13 -12.337 6.458 8.185 115 HB2 GLU 13 1HB GLU 13 -13.460 5.485 5.866 116 HB3 GLU 13 2HB GLU 13 -14.160 4.410 7.075 117 HG2 GLU 13 1HG GLU 13 -14.316 7.435 6.997 118 HG3 GLU 13 2HG GLU 13 -15.636 6.289 6.701 119 H GLN 14 H GLN 14 -12.277 2.927 7.532 120 HA GLN 14 HA GLN 14 -13.237 2.290 10.165 121 HB2 GLN 14 1HB GLN 14 -13.464 0.260 9.275 122 HB3 GLN 14 2HB GLN 14 -12.939 0.979 7.764 123 HG2 GLN 14 1HG GLN 14 -11.689 -1.009 8.002 124 HG3 GLN 14 2HG GLN 14 -10.562 0.299 8.361 125 HE21 GLN 14 2HE2 GLN 14 -13.034 -1.513 10.197 126 HE22 GLN 14 1HE2 GLN 14 -11.961 -1.954 11.511 127 H LEU 15 H LEU 15 -10.017 2.666 8.723 128 HA LEU 15 HA LEU 15 -8.531 1.578 10.901 129 HB2 LEU 15 1HB LEU 15 -8.043 3.087 8.448 130 HB3 LEU 15 2HB LEU 15 -6.945 3.548 9.727 131 HG LEU 15 HG LEU 15 -6.094 1.838 8.114 132 HD11 LEU 15 1HD1 LEU 15 -5.011 0.469 9.849 133 HD12 LEU 15 2HD1 LEU 15 -6.178 1.073 11.048 134 HD13 LEU 15 3HD1 LEU 15 -5.041 2.193 10.262 135 HD21 LEU 15 3HD2 LEU 15 -8.159 0.478 7.922 136 HD22 LEU 15 1HD2 LEU 15 -7.927 -0.069 9.599 137 HD23 LEU 15 2HD2 LEU 15 -6.732 -0.481 8.363 138 H LYS 16 H LYS 16 -10.093 4.711 10.549 139 HA LYS 16 HA LYS 16 -8.538 6.245 12.398 140 HB2 LYS 16 1HB LYS 16 -11.549 6.183 11.945 141 HB3 LYS 16 2HB LYS 16 -10.738 7.388 12.939 142 HG2 LYS 16 1HG LYS 16 -9.642 8.357 11.038 143 HG3 LYS 16 2HG LYS 16 -10.134 7.010 10.007 144 HD2 LYS 16 1HD LYS 16 -12.525 7.583 10.460 145 HD3 LYS 16 2HD LYS 16 -11.972 9.045 11.294 146 HE2 LYS 16 1HE LYS 16 -10.936 9.861 9.217 147 HE3 LYS 16 2HE LYS 16 -11.350 8.339 8.395 148 HZ1 LYS 16 3HZ LYS 16 -13.261 10.360 9.415 149 HZ2 LYS 16 1HZ LYS 16 -13.722 8.866 8.888 150 HZ3 LYS 16 2HZ LYS 16 -13.009 9.933 7.841 151 H GLN 17 H GLN 17 -11.098 3.848 12.820 152 HA GLN 17 HA GLN 17 -11.310 4.251 15.672 153 HB2 GLN 17 1HB GLN 17 -12.167 1.920 13.930 154 HB3 GLN 17 2HB GLN 17 -12.700 2.218 15.588 155 HG2 GLN 17 1HG GLN 17 -13.799 4.307 14.860 156 HG3 GLN 17 2HG GLN 17 -13.225 4.050 13.206 157 HE21 GLN 17 2HE2 GLN 17 -15.058 3.731 12.082 158 HE22 GLN 17 1HE2 GLN 17 -16.222 2.480 12.451 159 H ALA 18 H ALA 18 -9.650 1.836 13.572 160 HA ALA 18 HA ALA 18 -8.709 0.258 15.746 161 HB1 ALA 18 3HB ALA 18 -8.803 -0.559 13.451 162 HB2 ALA 18 1HB ALA 18 -7.553 0.611 12.957 163 HB3 ALA 18 2HB ALA 18 -7.152 -0.699 14.096 164 H LEU 19 H LEU 19 -7.206 3.098 14.113 165 HA LEU 19 HA LEU 19 -4.704 2.932 15.544 166 HB2 LEU 19 1HB LEU 19 -6.163 5.006 13.977 167 HB3 LEU 19 2HB LEU 19 -5.131 5.632 15.251 168 HG LEU 19 HG LEU 19 -3.225 4.264 14.211 169 HD11 LEU 19 1HD1 LEU 19 -5.202 4.215 11.906 170 HD12 LEU 19 2HD1 LEU 19 -4.428 2.824 12.699 171 HD13 LEU 19 3HD1 LEU 19 -3.450 3.955 11.730 172 HD21 LEU 19 3HD2 LEU 19 -4.413 6.565 12.614 173 HD22 LEU 19 1HD2 LEU 19 -2.714 6.027 12.577 174 HD23 LEU 19 2HD2 LEU 19 -3.401 6.728 14.065 175 H LYS 20 H LYS 20 -7.869 4.400 16.262 176 HA LYS 20 HA LYS 20 -7.000 5.724 18.671 177 HB2 LYS 20 1HB LYS 20 -8.981 6.355 17.273 178 HB3 LYS 20 2HB LYS 20 -9.798 4.887 17.815 179 HG2 LYS 20 1HG LYS 20 -9.666 5.716 20.163 180 HG3 LYS 20 2HG LYS 20 -8.948 7.222 19.560 181 HD2 LYS 20 1HD LYS 20 -10.975 7.627 18.199 182 HD3 LYS 20 2HD LYS 20 -11.675 6.107 18.798 183 HE2 LYS 20 1HE LYS 20 -11.530 6.989 21.127 184 HE3 LYS 20 2HE LYS 20 -10.920 8.529 20.485 185 HZ1 LYS 20 3HZ LYS 20 -13.569 7.340 19.869 186 HZ2 LYS 20 1HZ LYS 20 -13.009 8.770 19.271 187 HZ3 LYS 20 2HZ LYS 20 -13.304 8.611 20.886 188 H THR 21 H THR 21 -8.573 2.518 18.135 189 HA THR 21 HA THR 21 -9.194 2.133 20.910 190 HB THR 21 HB THR 21 -9.259 -0.342 20.256 191 HG1 THR 21 HG1 THR 21 -9.181 -0.635 17.941 192 HG21 THR 21 1HG2 THR 21 -11.240 -0.067 18.786 193 HG22 THR 21 2HG2 THR 21 -10.841 1.651 18.584 194 HG23 THR 21 3HG2 THR 21 -11.284 1.022 20.187 195 H ARG 22 H ARG 22 -6.179 1.774 19.168 196 HA ARG 22 HA ARG 22 -4.972 0.034 21.163 197 HB2 ARG 22 1HB ARG 22 -4.007 1.688 18.850 198 HB3 ARG 22 2HB ARG 22 -2.830 1.216 20.080 199 HG2 ARG 22 1HG ARG 22 -4.590 -0.757 18.589 200 HG3 ARG 22 2HG ARG 22 -2.925 -0.338 18.138 201 HD2 ARG 22 1HD ARG 22 -2.220 -1.012 20.483 202 HD3 ARG 22 2HD ARG 22 -3.854 -1.663 20.716 203 HE ARG 22 HE ARG 22 -2.773 -2.753 18.328 204 HH11 ARG 22 1HH1 ARG 22 -2.245 -3.012 21.824 205 HH12 ARG 22 2HH1 ARG 22 -1.567 -4.621 21.670 206 HH21 ARG 22 1HH2 ARG 22 -1.892 -4.807 18.267 207 HH22 ARG 22 2HH2 ARG 22 -1.394 -5.585 19.763 208 H GLY 23 H GLY 23 -5.825 3.362 21.140 209 HA2 GLY 23 1HA GLY 23 -5.621 4.903 22.830 210 HA3 GLY 23 2HA GLY 23 -4.864 3.653 23.826 211 H VAL 24 H VAL 24 -3.213 4.027 20.886 212 HA VAL 24 HA VAL 24 -1.103 5.520 22.348 213 HB VAL 24 HB VAL 24 -0.552 3.202 21.569 214 HG11 VAL 24 1HG1 VAL 24 -1.898 3.244 19.458 215 HG12 VAL 24 2HG1 VAL 24 -0.697 4.338 18.755 216 HG13 VAL 24 3HG1 VAL 24 -0.228 2.693 19.225 217 HG21 VAL 24 3HG2 VAL 24 1.081 5.397 20.226 218 HG22 VAL 24 1HG2 VAL 24 1.223 4.872 21.923 219 HG23 VAL 24 2HG2 VAL 24 1.637 3.753 20.609 220 H LYS 25 H LYS 25 -0.241 7.369 21.551 221 HA LYS 25 HA LYS 25 -1.962 8.763 19.624 222 HB2 LYS 25 1HB LYS 25 0.450 9.691 21.234 223 HB3 LYS 25 2HB LYS 25 -0.601 10.740 20.269 224 HG2 LYS 25 1HG LYS 25 -2.523 10.149 21.715 225 HG3 LYS 25 2HG LYS 25 -1.481 9.075 22.666 226 HD2 LYS 25 1HD LYS 25 -0.062 11.021 23.278 227 HD3 LYS 25 2HD LYS 25 -1.189 12.088 22.408 228 HE2 LYS 25 1HE LYS 25 -3.032 11.355 23.892 229 HE3 LYS 25 2HE LYS 25 -1.925 10.256 24.738 230 HZ1 LYS 25 3HZ LYS 25 -2.217 12.317 25.955 231 HZ2 LYS 25 1HZ LYS 25 -1.679 13.211 24.677 232 HZ3 LYS 25 2HZ LYS 25 -0.650 12.184 25.458 233 H VAL 26 H VAL 26 -1.456 7.556 17.747 234 HA VAL 26 HA VAL 26 1.190 8.289 16.533 235 HB VAL 26 HB VAL 26 0.793 6.312 14.970 236 HG11 VAL 26 1HG1 VAL 26 2.370 6.142 16.846 237 HG12 VAL 26 2HG1 VAL 26 1.053 5.647 17.933 238 HG13 VAL 26 3HG1 VAL 26 1.540 4.597 16.582 239 HG21 VAL 26 3HG2 VAL 26 -0.783 4.553 15.638 240 HG22 VAL 26 1HG2 VAL 26 -1.345 5.529 17.012 241 HG23 VAL 26 2HG2 VAL 26 -1.651 6.071 15.351 242 H LYS 27 H LYS 27 1.089 8.764 14.243 243 HA LYS 27 HA LYS 27 -1.532 10.037 13.548 244 HB2 LYS 27 1HB LYS 27 0.780 11.311 13.731 245 HB3 LYS 27 2HB LYS 27 1.079 10.608 12.136 246 HG2 LYS 27 1HG LYS 27 -0.975 11.704 11.282 247 HG3 LYS 27 2HG LYS 27 -1.293 12.357 12.902 248 HD2 LYS 27 1HD LYS 27 0.914 13.552 12.800 249 HD3 LYS 27 2HD LYS 27 1.106 12.977 11.133 250 HE2 LYS 27 1HE LYS 27 0.256 15.221 11.015 251 HE3 LYS 27 2HE LYS 27 -1.072 14.136 10.559 252 HZ1 LYS 27 3HZ LYS 27 -0.711 15.394 13.229 253 HZ2 LYS 27 1HZ LYS 27 -1.947 14.381 12.819 254 HZ3 LYS 27 2HZ LYS 27 -1.813 15.856 12.092 255 H PHE 28 H PHE 28 -2.312 9.687 11.361 256 HA PHE 28 HA PHE 28 -2.078 7.030 10.438 257 HB2 PHE 28 1HB PHE 28 -3.204 9.594 9.422 258 HB3 PHE 28 2HB PHE 28 -2.799 8.403 8.181 259 HD1 PHE 28 HD1 PHE 28 -4.947 9.065 11.135 260 HD2 PHE 28 HD2 PHE 28 -4.007 6.361 7.932 261 HE1 PHE 28 HE1 PHE 28 -7.052 7.809 11.572 262 HE2 PHE 28 HE2 PHE 28 -6.072 5.084 8.381 263 HZ PHE 28 HZ PHE 28 -7.608 5.818 10.183 264 H ALA 29 H ALA 29 -0.343 9.964 9.347 265 HA ALA 29 HA ALA 29 0.931 8.783 7.125 266 HB1 ALA 29 3HB ALA 29 2.557 10.633 7.338 267 HB2 ALA 29 1HB ALA 29 0.892 11.219 7.550 268 HB3 ALA 29 2HB ALA 29 1.949 10.995 8.970 269 H ASP 30 H ASP 30 1.774 8.696 10.575 270 HA ASP 30 HA ASP 30 4.397 7.523 10.105 271 HB2 ASP 30 1HB ASP 30 3.749 8.966 12.085 272 HB3 ASP 30 2HB ASP 30 2.755 7.623 12.666 273 H LEU 31 H LEU 31 1.212 6.341 11.322 274 HA LEU 31 HA LEU 31 2.091 3.683 11.755 275 HB2 LEU 31 1HB LEU 31 -0.008 4.722 12.606 276 HB3 LEU 31 2HB LEU 31 -0.686 4.649 10.990 277 HG LEU 31 HG LEU 31 -1.379 2.920 12.790 278 HD11 LEU 31 1HD1 LEU 31 -0.609 1.944 10.030 279 HD12 LEU 31 2HD1 LEU 31 -2.071 2.867 10.440 280 HD13 LEU 31 3HD1 LEU 31 -1.835 1.246 11.109 281 HD21 LEU 31 3HD2 LEU 31 0.875 2.171 13.431 282 HD22 LEU 31 1HD2 LEU 31 1.125 1.526 11.787 283 HD23 LEU 31 2HD2 LEU 31 -0.134 0.841 12.836 284 H LEU 32 H LEU 32 0.395 5.108 8.923 285 HA LEU 32 HA LEU 32 0.645 2.683 7.396 286 HB2 LEU 32 1HB LEU 32 -0.002 5.518 6.645 287 HB3 LEU 32 2HB LEU 32 0.311 4.321 5.409 288 HG LEU 32 HG LEU 32 -2.039 4.490 5.657 289 HD11 LEU 32 1HD1 LEU 32 -1.321 1.958 7.168 290 HD12 LEU 32 2HD1 LEU 32 -1.103 2.163 5.415 291 HD13 LEU 32 3HD1 LEU 32 -2.727 2.251 6.122 292 HD21 LEU 32 3HD2 LEU 32 -1.663 3.904 8.582 293 HD22 LEU 32 1HD2 LEU 32 -3.211 4.126 7.723 294 HD23 LEU 32 2HD2 LEU 32 -2.065 5.473 7.860 295 H LYS 33 H LYS 33 2.983 5.178 8.019 296 HA LYS 33 HA LYS 33 4.607 4.650 5.671 297 HB2 LYS 33 1HB LYS 33 5.261 6.576 6.871 298 HB3 LYS 33 2HB LYS 33 5.246 5.737 8.416 299 HG2 LYS 33 1HG LYS 33 7.545 6.204 7.780 300 HG3 LYS 33 2HG LYS 33 7.261 4.463 7.786 301 HD2 LYS 33 1HD LYS 33 6.838 4.717 5.227 302 HD3 LYS 33 2HD LYS 33 7.615 6.301 5.397 303 HE2 LYS 33 1HE LYS 33 9.648 5.266 6.230 304 HE3 LYS 33 2HE LYS 33 8.838 3.691 6.382 305 HZ1 LYS 33 3HZ LYS 33 8.599 3.629 3.980 306 HZ2 LYS 33 1HZ LYS 33 10.190 3.782 4.387 307 HZ3 LYS 33 2HZ LYS 33 9.353 5.087 3.820 308 H PHE 34 H PHE 34 4.347 3.091 8.900 309 HA PHE 34 HA PHE 34 6.446 1.192 8.251 310 HB2 PHE 34 1HB PHE 34 4.354 1.342 10.410 311 HB3 PHE 34 2HB PHE 34 5.382 -0.082 10.211 312 HD1 PHE 34 HD1 PHE 34 5.331 3.488 11.139 313 HD2 PHE 34 HD2 PHE 34 7.786 -0.001 10.631 314 HE1 PHE 34 HE1 PHE 34 7.179 4.642 12.318 315 HE2 PHE 34 HE2 PHE 34 9.647 1.134 11.832 316 HZ PHE 34 HZ PHE 34 9.350 3.471 12.664 317 H PHE 35 H PHE 35 2.954 1.293 7.684 318 HA PHE 35 HA PHE 35 2.740 -1.489 6.859 319 HB2 PHE 35 1HB PHE 35 1.087 0.989 6.316 320 HB3 PHE 35 2HB PHE 35 0.743 -0.539 5.522 321 HD1 PHE 35 HD1 PHE 35 1.829 -0.159 9.133 322 HD2 PHE 35 HD2 PHE 35 -1.376 -1.026 6.390 323 HE1 PHE 35 HE1 PHE 35 0.423 -0.926 11.017 324 HE2 PHE 35 HE2 PHE 35 -2.795 -1.776 8.285 325 HZ PHE 35 HZ PHE 35 -1.892 -1.744 10.603 326 H ASP 36 H ASP 36 4.040 1.423 5.404 327 HA ASP 36 HA ASP 36 3.978 0.276 2.699 328 HB2 ASP 36 1HB ASP 36 3.889 2.788 3.394 329 HB3 ASP 36 2HB ASP 36 5.650 2.639 3.521 330 H PHE 37 H PHE 37 6.150 0.514 5.439 331 HA PHE 37 HA PHE 37 8.581 -0.115 4.062 332 HB2 PHE 37 1HB PHE 37 8.455 0.887 6.325 333 HB3 PHE 37 2HB PHE 37 7.803 -0.629 6.956 334 HD1 PHE 37 HD1 PHE 37 10.785 0.663 5.043 335 HD2 PHE 37 HD2 PHE 37 9.269 -2.205 7.871 336 HE1 PHE 37 HE1 PHE 37 13.098 -0.187 5.415 337 HE2 PHE 37 HE2 PHE 37 11.579 -3.061 8.247 338 HZ PHE 37 HZ PHE 37 13.499 -2.051 7.018 339 H VAL 38 H VAL 38 6.071 -2.200 5.582 340 HA VAL 38 HA VAL 38 7.563 -4.626 5.208 341 HB VAL 38 HB VAL 38 5.780 -5.142 6.565 342 HG11 VAL 38 1HG1 VAL 38 3.482 -4.302 6.322 343 HG12 VAL 38 2HG1 VAL 38 4.678 -3.021 6.531 344 HG13 VAL 38 3HG1 VAL 38 4.003 -3.362 4.919 345 HG21 VAL 38 3HG2 VAL 38 4.107 -6.505 5.437 346 HG22 VAL 38 1HG2 VAL 38 4.372 -5.662 3.899 347 HG23 VAL 38 2HG2 VAL 38 5.649 -6.699 4.581 348 H LYS 39 H LYS 39 5.340 -2.807 3.065 349 HA LYS 39 HA LYS 39 5.393 -4.737 0.951 350 HB2 LYS 39 1HB LYS 39 3.750 -2.936 1.153 351 HB3 LYS 39 2HB LYS 39 4.987 -1.732 0.882 352 HG2 LYS 39 1HG LYS 39 4.585 -3.843 -1.217 353 HG3 LYS 39 2HG LYS 39 3.350 -2.593 -1.055 354 HD2 LYS 39 1HD LYS 39 6.315 -2.036 -1.557 355 HD3 LYS 39 2HD LYS 39 5.059 -2.069 -2.796 356 HE2 LYS 39 1HE LYS 39 5.012 0.169 -2.431 357 HE3 LYS 39 2HE LYS 39 3.930 -0.279 -1.105 358 HZ1 LYS 39 3HZ LYS 39 6.853 0.247 -0.881 359 HZ2 LYS 39 1HZ LYS 39 5.898 -0.255 0.366 360 HZ3 LYS 39 2HZ LYS 39 5.632 1.219 -0.316 361 H ASP 40 H ASP 40 7.546 -1.969 1.693 362 HA ASP 40 HA ASP 40 9.040 -2.157 -0.769 363 HB2 ASP 40 1HB ASP 40 9.408 -0.813 1.895 364 HB3 ASP 40 2HB ASP 40 10.850 -1.063 0.904 365 H THR 41 H THR 41 9.197 -3.954 2.247 366 HA THR 41 HA THR 41 11.848 -5.065 1.504 367 HB THR 41 HB THR 41 10.227 -5.767 3.985 368 HG1 THR 41 HG1 THR 41 10.426 -3.502 3.905 369 HG21 THR 41 1HG2 THR 41 12.233 -7.136 3.578 370 HG22 THR 41 2HG2 THR 41 12.503 -6.052 4.956 371 HG23 THR 41 3HG2 THR 41 13.213 -5.666 3.375 372 H CYS 42 H CYS 42 8.453 -5.963 1.657 373 HA CYS 42 HA CYS 42 9.143 -8.777 0.892 374 HB2 CYS 42 1HB CYS 42 6.638 -7.738 2.262 375 HB3 CYS 42 2HB CYS 42 7.056 -9.427 1.955 376 HG CYS 42 HG CYS 42 8.605 -7.224 3.842 377 HA PRO 43 HA PRO 43 6.817 -6.773 -2.554 378 HB2 PRO 43 1HB PRO 43 8.064 -7.987 -4.661 379 HB3 PRO 43 2HB PRO 43 8.773 -6.573 -3.814 380 HG2 PRO 43 1HG PRO 43 9.352 -9.505 -3.397 381 HG3 PRO 43 2HG PRO 43 10.505 -8.157 -3.663 382 HD2 PRO 43 1HD PRO 43 9.931 -9.077 -1.179 383 HD3 PRO 43 2HD PRO 43 10.208 -7.321 -1.490 384 H TRP 44 H TRP 44 7.501 -10.066 -1.695 385 HA TRP 44 HA TRP 44 5.460 -11.249 -3.412 386 HB2 TRP 44 1HB TRP 44 6.015 -13.222 -1.777 387 HB3 TRP 44 2HB TRP 44 7.184 -12.714 -3.006 388 HD1 TRP 44 HD1 TRP 44 6.492 -11.804 0.706 389 HE1 TRP 44 HE1 TRP 44 8.702 -11.471 1.946 390 HE3 TRP 44 HE3 TRP 44 9.608 -12.548 -3.260 391 HZ2 TRP 44 HZ2 TRP 44 11.475 -11.508 1.282 392 HZ3 TRP 44 HZ3 TRP 44 12.079 -12.363 -2.899 393 HH2 TRP 44 HH2 TRP 44 12.990 -11.840 -0.637 394 H PHE 45 H PHE 45 5.384 -9.582 -0.364 395 HA PHE 45 HA PHE 45 3.314 -11.212 0.809 396 HB2 PHE 45 1HB PHE 45 4.740 -9.701 2.138 397 HB3 PHE 45 2HB PHE 45 3.949 -8.307 1.395 398 HD1 PHE 45 HD2 PHE 45 1.600 -7.766 1.923 399 HD2 PHE 45 HD1 PHE 45 3.596 -11.076 3.802 400 HE1 PHE 45 HE2 PHE 45 -0.217 -7.889 3.619 401 HE2 PHE 45 HE1 PHE 45 1.790 -11.195 5.507 402 HZ PHE 45 HZ PHE 45 -0.126 -9.606 5.419 403 HA PRO 46 HA PRO 46 0.147 -8.208 -0.809 404 HB2 PRO 46 1HB PRO 46 0.571 -6.736 -3.078 405 HB3 PRO 46 2HB PRO 46 0.923 -6.104 -1.438 406 HG2 PRO 46 1HG PRO 46 2.805 -7.384 -3.398 407 HG3 PRO 46 2HG PRO 46 2.964 -5.818 -2.537 408 HD2 PRO 46 1HD PRO 46 4.165 -8.017 -1.603 409 HD3 PRO 46 2HD PRO 46 3.380 -6.867 -0.474 410 H GLN 47 H GLN 47 2.440 -9.802 -2.948 411 HA GLN 47 HA GLN 47 0.657 -10.561 -5.040 412 HB2 GLN 47 1HB GLN 47 3.213 -10.652 -4.966 413 HB3 GLN 47 2HB GLN 47 3.042 -12.124 -4.007 414 HG2 GLN 47 1HG GLN 47 1.714 -13.112 -5.905 415 HG3 GLN 47 2HG GLN 47 2.142 -11.686 -6.862 416 HE21 GLN 47 2HE2 GLN 47 2.844 -14.741 -6.708 417 HE22 GLN 47 1HE2 GLN 47 4.573 -14.731 -6.957 418 H GLU 48 H GLU 48 1.193 -11.846 -1.781 419 HA GLU 48 HA GLU 48 -0.021 -14.420 -2.278 420 HB2 GLU 48 1HB GLU 48 0.312 -12.848 0.307 421 HB3 GLU 48 2HB GLU 48 -0.210 -14.528 0.206 422 HG2 GLU 48 1HG GLU 48 2.205 -14.395 -1.274 423 HG3 GLU 48 2HG GLU 48 2.479 -13.428 0.186 424 H GLY 49 H GLY 49 -1.323 -11.211 -1.765 425 HA2 GLY 49 1HA GLY 49 -3.494 -10.449 -1.684 426 HA3 GLY 49 2HA GLY 49 -3.936 -11.956 -2.486 427 H THR 50 H THR 50 -2.445 -12.167 0.641 428 HA THR 50 HA THR 50 -5.089 -12.901 1.838 429 HB THR 50 HB THR 50 -2.452 -14.450 1.981 430 HG1 THR 50 HG1 THR 50 -3.553 -14.657 -0.032 431 HG21 THR 50 1HG2 THR 50 -5.206 -15.088 3.102 432 HG22 THR 50 2HG2 THR 50 -3.726 -14.749 4.038 433 HG23 THR 50 3HG2 THR 50 -3.828 -16.216 3.045 434 H ILE 51 H ILE 51 -5.416 -12.179 3.881 435 HA ILE 51 HA ILE 51 -3.017 -11.099 5.336 436 HB ILE 51 HB ILE 51 -5.899 -10.197 5.551 437 HG12 ILE 51 1HG1 ILE 51 -4.832 -9.428 3.487 438 HG13 ILE 51 2HG1 ILE 51 -5.151 -8.161 4.629 439 HG21 ILE 51 1HG2 ILE 51 -3.367 -9.275 7.032 440 HG22 ILE 51 2HG2 ILE 51 -4.904 -8.379 7.033 441 HG23 ILE 51 3HG2 ILE 51 -4.826 -9.997 7.747 442 HD11 ILE 51 3HD1 ILE 51 -3.066 -7.817 3.452 443 HD12 ILE 51 1HD1 ILE 51 -2.823 -7.953 5.202 444 HD13 ILE 51 2HD1 ILE 51 -2.435 -9.329 4.134 445 H ASP 52 H ASP 52 -2.441 -12.599 6.531 446 HA ASP 52 HA ASP 52 -4.151 -13.403 8.760 447 HB2 ASP 52 1HB ASP 52 -4.598 -15.111 6.893 448 HB3 ASP 52 2HB ASP 52 -2.910 -15.610 7.106 449 H ILE 53 H ILE 53 -2.859 -14.624 10.384 450 HA ILE 53 HA ILE 53 -0.267 -13.427 10.663 451 HB ILE 53 HB ILE 53 -1.781 -14.079 12.525 452 HG12 ILE 53 1HG1 ILE 53 -0.021 -15.016 14.035 453 HG13 ILE 53 2HG1 ILE 53 0.997 -15.289 12.626 454 HG21 ILE 53 1HG2 ILE 53 -2.559 -16.247 11.674 455 HG22 ILE 53 2HG2 ILE 53 -0.936 -16.936 11.946 456 HG23 ILE 53 3HG2 ILE 53 -1.914 -16.377 13.321 457 HD11 ILE 53 3HD1 ILE 53 1.413 -13.163 14.049 458 HD12 ILE 53 1HD1 ILE 53 1.349 -12.976 12.279 459 HD13 ILE 53 2HD1 ILE 53 -0.059 -12.524 13.269 460 H LYS 54 H LYS 54 -1.434 -16.396 9.240 461 HA LYS 54 HA LYS 54 1.016 -17.858 9.119 462 HB2 LYS 54 1HB LYS 54 -1.243 -17.676 7.081 463 HB3 LYS 54 2HB LYS 54 0.041 -18.891 7.062 464 HG2 LYS 54 1HG LYS 54 -0.744 -19.777 9.226 465 HG3 LYS 54 2HG LYS 54 -2.015 -18.547 9.272 466 HD2 LYS 54 1HD LYS 54 -2.846 -19.479 7.038 467 HD3 LYS 54 2HD LYS 54 -1.699 -20.813 7.267 468 HE2 LYS 54 1HE LYS 54 -3.604 -21.754 8.185 469 HE3 LYS 54 2HE LYS 54 -2.904 -21.004 9.635 470 HZ1 LYS 54 3HZ LYS 54 -4.354 -19.025 9.075 471 HZ2 LYS 54 1HZ LYS 54 -5.179 -20.381 9.552 472 HZ3 LYS 54 2HZ LYS 54 -5.116 -19.964 7.957 473 H ARG 55 H ARG 55 -0.247 -15.169 7.159 474 HA ARG 55 HA ARG 55 2.108 -15.256 5.371 475 HB2 ARG 55 1HB ARG 55 -0.071 -13.156 5.471 476 HB3 ARG 55 2HB ARG 55 1.041 -13.497 4.146 477 HG2 ARG 55 1HG ARG 55 -1.176 -15.377 5.109 478 HG3 ARG 55 2HG ARG 55 -1.293 -14.274 3.750 479 HD2 ARG 55 1HD ARG 55 -0.888 -16.466 2.866 480 HD3 ARG 55 2HD ARG 55 0.563 -15.496 2.611 481 HE ARG 55 HE ARG 55 0.884 -16.841 5.056 482 HH11 ARG 55 1HH1 ARG 55 0.733 -17.722 1.632 483 HH12 ARG 55 2HH1 ARG 55 1.615 -19.201 1.905 484 HH21 ARG 55 1HH2 ARG 55 2.085 -18.662 5.286 485 HH22 ARG 55 2HH2 ARG 55 2.390 -19.707 3.923 486 H TRP 56 H TRP 56 0.719 -13.172 7.901 487 HA TRP 56 HA TRP 56 2.583 -11.064 7.666 488 HB2 TRP 56 1HB TRP 56 0.387 -11.057 8.868 489 HB3 TRP 56 2HB TRP 56 1.154 -11.957 10.182 490 HD1 TRP 56 HD1 TRP 56 2.169 -10.496 12.039 491 HE1 TRP 56 HE1 TRP 56 2.873 -8.070 12.368 492 HE3 TRP 56 HE3 TRP 56 1.421 -8.908 7.241 493 HZ2 TRP 56 HZ2 TRP 56 3.117 -5.745 10.744 494 HZ3 TRP 56 HZ3 TRP 56 1.948 -6.532 6.669 495 HH2 TRP 56 HH2 TRP 56 2.774 -4.964 8.427 496 H ARG 57 H ARG 57 2.930 -14.169 9.337 497 HA ARG 57 HA ARG 57 5.150 -13.442 10.976 498 HB2 ARG 57 1HB ARG 57 4.177 -16.000 9.758 499 HB3 ARG 57 2HB ARG 57 5.750 -15.954 10.577 500 HG2 ARG 57 1HG ARG 57 4.803 -15.401 12.655 501 HG3 ARG 57 2HG ARG 57 3.278 -14.867 11.930 502 HD2 ARG 57 1HD ARG 57 2.689 -17.136 11.335 503 HD3 ARG 57 2HD ARG 57 4.255 -17.737 11.917 504 HE ARG 57 HE ARG 57 1.916 -16.937 13.517 505 HH11 ARG 57 1HH1 ARG 57 5.368 -17.708 13.644 506 HH12 ARG 57 2HH1 ARG 57 5.311 -18.067 15.349 507 HH21 ARG 57 1HH2 ARG 57 1.927 -17.398 15.681 508 HH22 ARG 57 2HH2 ARG 57 3.394 -17.902 16.476 509 H ARG 58 H ARG 58 5.018 -14.452 7.567 510 HA ARG 58 HA ARG 58 7.813 -14.621 7.119 511 HB2 ARG 58 1HB ARG 58 5.620 -13.745 5.209 512 HB3 ARG 58 2HB ARG 58 7.269 -14.155 4.740 513 HG2 ARG 58 1HG ARG 58 6.959 -16.451 5.536 514 HG3 ARG 58 2HG ARG 58 5.304 -16.063 6.050 515 HD2 ARG 58 1HD ARG 58 4.516 -16.384 3.977 516 HD3 ARG 58 2HD ARG 58 5.687 -15.237 3.300 517 HE ARG 58 HE ARG 58 7.089 -17.616 3.820 518 HH11 ARG 58 1HH1 ARG 58 4.461 -16.581 1.654 519 HH12 ARG 58 2HH1 ARG 58 4.907 -17.759 0.444 520 HH21 ARG 58 1HH2 ARG 58 7.561 -19.084 2.224 521 HH22 ARG 58 2HH2 ARG 58 6.614 -19.146 0.762 522 H VAL 59 H VAL 59 5.782 -11.772 7.472 523 HA VAL 59 HA VAL 59 7.558 -9.934 6.139 524 HB VAL 59 HB VAL 59 5.553 -9.469 8.388 525 HG11 VAL 59 1HG1 VAL 59 7.098 -7.622 8.287 526 HG12 VAL 59 2HG1 VAL 59 6.899 -7.506 6.525 527 HG13 VAL 59 3HG1 VAL 59 5.537 -7.130 7.612 528 HG21 VAL 59 3HG2 VAL 59 4.487 -10.428 6.451 529 HG22 VAL 59 1HG2 VAL 59 4.074 -8.711 6.556 530 HG23 VAL 59 2HG2 VAL 59 5.293 -9.256 5.383 531 H GLY 60 H GLY 60 7.226 -11.107 9.491 532 HA2 GLY 60 1HA GLY 60 9.248 -9.282 10.465 533 HA3 GLY 60 2HA GLY 60 8.533 -10.657 11.338 534 H ASP 61 H ASP 61 9.113 -12.622 9.330 535 HA ASP 61 HA ASP 61 11.777 -13.386 9.989 536 HB2 ASP 61 1HB ASP 61 10.109 -14.185 7.559 537 HB3 ASP 61 2HB ASP 61 11.515 -15.057 8.181 538 H CYS 62 H CYS 62 10.331 -11.667 7.223 539 HA CYS 62 HA CYS 62 12.683 -11.441 5.629 540 HB2 CYS 62 1HB CYS 62 10.091 -10.868 5.255 541 HB3 CYS 62 2HB CYS 62 10.644 -9.248 5.663 542 HG CYS 62 HG CYS 62 10.540 -9.219 3.165 543 H PHE 63 H PHE 63 11.280 -9.243 8.117 544 HA PHE 63 HA PHE 63 13.249 -7.185 7.714 545 HB2 PHE 63 1HB PHE 63 11.724 -7.926 10.235 546 HB3 PHE 63 2HB PHE 63 12.682 -6.466 10.030 547 HD1 PHE 63 HD2 PHE 63 11.710 -6.046 6.999 548 HD2 PHE 63 HD1 PHE 63 9.714 -6.644 10.771 549 HE1 PHE 63 HE2 PHE 63 9.743 -4.795 6.153 550 HE2 PHE 63 HE1 PHE 63 7.749 -5.375 9.926 551 HZ PHE 63 HZ PHE 63 7.758 -4.453 7.617 552 H GLN 64 H GLN 64 13.155 -10.150 9.704 553 HA GLN 64 HA GLN 64 15.530 -9.541 11.191 554 HB2 GLN 64 1HB GLN 64 13.912 -11.323 11.804 555 HB3 GLN 64 2HB GLN 64 14.401 -12.237 10.371 556 HG2 GLN 64 1HG GLN 64 16.662 -12.503 11.226 557 HG3 GLN 64 2HG GLN 64 16.287 -11.463 12.614 558 HE21 GLN 64 2HE2 GLN 64 16.269 -12.685 14.374 559 HE22 GLN 64 1HE2 GLN 64 15.444 -14.218 14.528 560 H ASP 65 H ASP 65 14.960 -11.330 8.135 561 HA ASP 65 HA ASP 65 17.649 -12.144 7.752 562 HB2 ASP 65 1HB ASP 65 15.481 -12.804 6.525 563 HB3 ASP 65 2HB ASP 65 15.745 -11.381 5.518 564 H TYR 66 H TYR 66 15.875 -9.278 6.518 565 HA TYR 66 HA TYR 66 18.144 -8.158 5.196 566 HB2 TYR 66 1HB TYR 66 15.702 -7.588 4.874 567 HB3 TYR 66 2HB TYR 66 15.781 -6.654 6.365 568 HD1 TYR 66 HD1 TYR 66 18.765 -6.606 4.132 569 HD2 TYR 66 HD2 TYR 66 15.026 -4.656 5.051 570 HE1 TYR 66 HE1 TYR 66 19.467 -4.622 2.824 571 HE2 TYR 66 HE2 TYR 66 15.757 -2.670 3.737 572 HH TYR 66 HH TYR 66 17.376 -1.755 2.430 573 H PHE 67 H PHE 67 16.970 -7.900 8.549 574 HA PHE 67 HA PHE 67 18.809 -5.807 9.339 575 HB2 PHE 67 1HB PHE 67 16.773 -6.471 10.609 576 HB3 PHE 67 2HB PHE 67 17.545 -8.006 11.018 577 HD1 PHE 67 HD1 PHE 67 19.629 -7.989 12.485 578 HD2 PHE 67 HD2 PHE 67 17.206 -4.492 11.858 579 HE1 PHE 67 HE1 PHE 67 20.642 -6.929 14.496 580 HE2 PHE 67 HE2 PHE 67 18.192 -3.433 13.869 581 HZ PHE 67 HZ PHE 67 19.916 -4.650 15.201 582 H ASN 68 H ASN 68 19.075 -9.406 9.264 583 HA ASN 68 HA ASN 68 21.604 -9.330 10.694 584 HB2 ASN 68 1HB ASN 68 21.322 -11.532 10.803 585 HB3 ASN 68 2HB ASN 68 19.775 -11.317 9.995 586 HD21 ASN 68 2HD2 ASN 68 19.538 -12.019 7.906 587 HD22 ASN 68 1HD2 ASN 68 20.776 -12.907 7.057 588 H THR 69 H THR 69 20.627 -9.267 7.330 589 HA THR 69 HA THR 69 23.177 -9.714 6.163 590 HB THR 69 HB THR 69 20.923 -7.975 5.034 591 HG1 THR 69 HG1 THR 69 20.178 -10.077 5.634 592 HG21 THR 69 1HG2 THR 69 23.052 -7.880 3.741 593 HG22 THR 69 2HG2 THR 69 21.778 -8.747 2.855 594 HG23 THR 69 3HG2 THR 69 23.068 -9.656 3.669 595 H PHE 70 H PHE 70 21.663 -6.620 7.234 596 HA PHE 70 HA PHE 70 24.302 -5.320 6.634 597 HB2 PHE 70 1HB PHE 70 21.534 -4.578 5.882 598 HB3 PHE 70 2HB PHE 70 22.614 -3.270 6.369 599 HD1 PHE 70 HD1 PHE 70 24.637 -2.717 5.129 600 HD2 PHE 70 HD2 PHE 70 21.925 -5.781 3.794 601 HE1 PHE 70 HE1 PHE 70 25.690 -2.654 2.872 602 HE2 PHE 70 HE2 PHE 70 22.971 -5.733 1.530 603 HZ PHE 70 HZ PHE 70 24.858 -4.163 1.063 604 H GLY 71 H GLY 71 22.272 -5.986 9.241 605 HA2 GLY 71 1HA GLY 71 22.618 -5.249 11.413 606 HA3 GLY 71 2HA GLY 71 23.699 -3.985 10.819 607 HA PRO 72 HA PRO 72 19.589 -2.247 12.231 608 HB2 PRO 72 1HB PRO 72 20.509 -0.515 14.127 609 HB3 PRO 72 2HB PRO 72 20.279 -2.262 14.458 610 HG2 PRO 72 1HG PRO 72 22.795 -0.818 13.665 611 HG3 PRO 72 2HG PRO 72 22.517 -1.916 15.056 612 HD2 PRO 72 1HD PRO 72 23.617 -2.820 12.772 613 HD3 PRO 72 2HD PRO 72 22.429 -3.822 13.680 614 H GLU 73 H GLU 73 22.413 -0.945 10.752 615 HA GLU 73 HA GLU 73 21.468 1.794 10.532 616 HB2 GLU 73 1HB GLU 73 23.184 2.032 8.821 617 HB3 GLU 73 2HB GLU 73 23.849 1.216 10.239 618 HG2 GLU 73 1HG GLU 73 23.868 -0.903 9.129 619 HG3 GLU 73 2HG GLU 73 22.881 -0.293 7.792 620 H LYS 74 H LYS 74 20.670 -1.221 9.039 621 HA LYS 74 HA LYS 74 19.526 0.149 6.661 622 HB2 LYS 74 1HB LYS 74 20.922 -2.226 7.036 623 HB3 LYS 74 2HB LYS 74 19.259 -2.757 6.805 624 HG2 LYS 74 1HG LYS 74 20.242 -2.751 4.675 625 HG3 LYS 74 2HG LYS 74 19.197 -1.321 4.724 626 HD2 LYS 74 1HD LYS 74 21.176 0.106 5.192 627 HD3 LYS 74 2HD LYS 74 22.216 -1.326 5.173 628 HE2 LYS 74 1HE LYS 74 20.562 -0.286 2.843 629 HE3 LYS 74 2HE LYS 74 22.321 -0.120 3.035 630 HZ1 LYS 74 3HZ LYS 74 20.848 -2.678 2.766 631 HZ2 LYS 74 1HZ LYS 74 22.478 -2.546 2.987 632 HZ3 LYS 74 2HZ LYS 74 21.783 -1.977 1.603 633 H VAL 75 H VAL 75 18.551 -2.034 9.324 634 HA VAL 75 HA VAL 75 15.723 -1.363 8.589 635 HB VAL 75 HB VAL 75 16.804 -3.873 9.958 636 HG11 VAL 75 1HG1 VAL 75 14.564 -3.302 10.809 637 HG12 VAL 75 2HG1 VAL 75 13.952 -3.158 9.143 638 HG13 VAL 75 3HG1 VAL 75 14.480 -4.736 9.772 639 HG21 VAL 75 3HG2 VAL 75 15.967 -5.045 7.926 640 HG22 VAL 75 1HG2 VAL 75 15.682 -3.456 7.177 641 HG23 VAL 75 2HG2 VAL 75 17.331 -3.960 7.613 642 HA PRO 76 HA PRO 76 16.202 0.322 12.653 643 HB2 PRO 76 1HB PRO 76 13.754 1.374 13.088 644 HB3 PRO 76 2HB PRO 76 14.876 2.098 11.926 645 HG2 PRO 76 1HG PRO 76 12.562 0.302 11.438 646 HG3 PRO 76 2HG PRO 76 13.025 1.798 10.584 647 HD2 PRO 76 1HD PRO 76 13.604 -0.731 9.661 648 HD3 PRO 76 2HD PRO 76 14.621 0.709 9.305 649 H VAL 77 H VAL 77 15.734 -0.354 14.796 650 HA VAL 77 HA VAL 77 14.516 -2.926 15.050 651 HB VAL 77 HB VAL 77 14.758 -2.585 17.503 652 HG11 VAL 77 1HG1 VAL 77 17.211 -2.491 17.509 653 HG12 VAL 77 2HG1 VAL 77 16.642 -3.422 16.108 654 HG13 VAL 77 3HG1 VAL 77 17.218 -1.752 15.891 655 HG21 VAL 77 3HG2 VAL 77 14.290 -0.150 17.613 656 HG22 VAL 77 1HG2 VAL 77 15.845 -0.546 18.363 657 HG23 VAL 77 2HG2 VAL 77 15.811 0.184 16.746 658 H THR 78 H THR 78 13.184 0.316 15.181 659 HA THR 78 HA THR 78 10.800 -0.376 16.625 660 HB THR 78 HB THR 78 11.376 1.949 16.413 661 HG1 THR 78 HG1 THR 78 9.371 2.737 15.785 662 HG21 THR 78 1HG2 THR 78 10.951 3.127 14.202 663 HG22 THR 78 2HG2 THR 78 11.179 1.533 13.458 664 HG23 THR 78 3HG2 THR 78 12.484 2.279 14.416 665 H ALA 79 H ALA 79 11.811 -0.996 13.335 666 HA ALA 79 HA ALA 79 9.153 -1.259 12.269 667 HB1 ALA 79 3HB ALA 79 10.276 -2.613 10.539 668 HB2 ALA 79 1HB ALA 79 11.079 -1.059 10.863 669 HB3 ALA 79 2HB ALA 79 11.767 -2.564 11.513 670 H PHE 80 H PHE 80 11.077 -3.338 14.384 671 HA PHE 80 HA PHE 80 9.474 -5.740 13.759 672 HB2 PHE 80 1HB PHE 80 11.491 -5.141 15.964 673 HB3 PHE 80 2HB PHE 80 10.727 -6.709 15.686 674 HD1 PHE 80 HD2 PHE 80 13.158 -4.252 14.357 675 HD2 PHE 80 HD1 PHE 80 11.445 -8.165 13.886 676 HE1 PHE 80 HE2 PHE 80 14.995 -4.848 12.803 677 HE2 PHE 80 HE1 PHE 80 13.273 -8.780 12.318 678 HZ PHE 80 HZ PHE 80 15.059 -7.126 11.776 679 H SER 81 H SER 81 9.705 -3.064 15.943 680 HA SER 81 HA SER 81 7.967 -4.044 17.996 681 HB2 SER 81 1HB SER 81 8.491 -1.153 17.233 682 HB3 SER 81 2HB SER 81 8.133 -1.822 18.816 683 HG SER 81 HG SER 81 10.134 -2.869 18.796 684 H TYR 82 H TYR 82 7.546 -1.881 15.170 685 HA TYR 82 HA TYR 82 4.718 -1.519 15.485 686 HB2 TYR 82 1HB TYR 82 6.749 -1.142 13.327 687 HB3 TYR 82 2HB TYR 82 5.069 -1.342 12.806 688 HD1 TYR 82 HD2 TYR 82 7.383 0.858 14.736 689 HD2 TYR 82 HD1 TYR 82 3.376 0.292 13.265 690 HE1 TYR 82 HE2 TYR 82 6.864 3.250 15.229 691 HE2 TYR 82 HE1 TYR 82 2.875 2.693 13.757 692 HH TYR 82 HH TYR 82 5.235 5.011 14.863 693 H TRP 83 H TRP 83 6.703 -3.897 13.674 694 HA TRP 83 HA TRP 83 4.612 -5.255 12.388 695 HB2 TRP 83 1HB TRP 83 6.977 -5.679 11.932 696 HB3 TRP 83 2HB TRP 83 7.222 -6.273 13.563 697 HD1 TRP 83 HD1 TRP 83 5.570 -7.368 10.273 698 HE1 TRP 83 HE1 TRP 83 5.205 -9.889 10.280 699 HE3 TRP 83 HE3 TRP 83 7.005 -8.270 15.098 700 HZ2 TRP 83 HZ2 TRP 83 5.535 -12.018 12.136 701 HZ3 TRP 83 HZ3 TRP 83 6.994 -10.621 15.933 702 HH2 TRP 83 HH2 TRP 83 6.259 -12.482 14.445 703 H ASN 84 H ASN 84 5.905 -5.700 15.682 704 HA ASN 84 HA ASN 84 4.392 -8.024 16.328 705 HB2 ASN 84 1HB ASN 84 5.917 -5.936 17.803 706 HB3 ASN 84 2HB ASN 84 4.686 -6.793 18.738 707 HD21 ASN 84 2HD2 ASN 84 7.812 -6.947 17.351 708 HD22 ASN 84 1HD2 ASN 84 8.165 -8.592 17.836 709 H LEU 85 H LEU 85 3.553 -4.581 16.410 710 HA LEU 85 HA LEU 85 1.275 -4.829 18.127 711 HB2 LEU 85 1HB LEU 85 2.459 -2.715 17.530 712 HB3 LEU 85 2HB LEU 85 1.818 -2.836 15.896 713 HG LEU 85 HG LEU 85 -0.334 -2.955 17.836 714 HD11 LEU 85 1HD1 LEU 85 -0.151 -0.635 18.654 715 HD12 LEU 85 2HD1 LEU 85 1.459 -0.499 17.909 716 HD13 LEU 85 3HD1 LEU 85 1.185 -1.642 19.247 717 HD21 LEU 85 3HD2 LEU 85 -0.624 -2.440 15.452 718 HD22 LEU 85 1HD2 LEU 85 0.389 -0.986 15.626 719 HD23 LEU 85 2HD2 LEU 85 -1.185 -1.084 16.451 720 H ILE 86 H ILE 86 1.681 -5.098 14.579 721 HA ILE 86 HA ILE 86 -1.193 -5.428 14.223 722 HB ILE 86 HB ILE 86 1.033 -5.890 12.215 723 HG12 ILE 86 1HG1 ILE 86 -0.499 -3.545 11.672 724 HG13 ILE 86 2HG1 ILE 86 -0.046 -3.463 13.373 725 HG21 ILE 86 1HG2 ILE 86 -0.837 -5.505 10.564 726 HG22 ILE 86 2HG2 ILE 86 -1.020 -6.984 11.517 727 HG23 ILE 86 3HG2 ILE 86 -1.990 -5.557 11.929 728 HD11 ILE 86 3HD1 ILE 86 2.318 -4.042 12.583 729 HD12 ILE 86 1HD1 ILE 86 1.731 -3.626 10.957 730 HD13 ILE 86 2HD1 ILE 86 1.704 -2.409 12.258 731 H LYS 87 H LYS 87 1.631 -7.529 14.617 732 HA LYS 87 HA LYS 87 0.561 -9.853 13.443 733 HB2 LYS 87 1HB LYS 87 2.429 -10.875 14.184 734 HB3 LYS 87 2HB LYS 87 2.921 -9.259 14.678 735 HG2 LYS 87 1HG LYS 87 2.011 -9.728 16.952 736 HG3 LYS 87 2HG LYS 87 1.626 -11.373 16.431 737 HD2 LYS 87 1HD LYS 87 4.019 -11.747 15.980 738 HD3 LYS 87 2HD LYS 87 4.363 -10.125 16.605 739 HE2 LYS 87 1HE LYS 87 2.888 -12.280 18.169 740 HE3 LYS 87 2HE LYS 87 4.624 -11.968 18.303 741 HZ1 LYS 87 3HZ LYS 87 3.316 -10.820 20.045 742 HZ2 LYS 87 1HZ LYS 87 2.515 -9.943 18.904 743 HZ3 LYS 87 2HZ LYS 87 4.143 -9.744 19.107 744 H GLU 88 H GLU 88 0.091 -8.659 16.784 745 HA GLU 88 HA GLU 88 -1.436 -11.043 17.476 746 HB2 GLU 88 1HB GLU 88 -1.772 -9.873 19.626 747 HB3 GLU 88 2HB GLU 88 -0.080 -9.965 19.126 748 HG2 GLU 88 1HG GLU 88 -0.387 -7.594 18.190 749 HG3 GLU 88 2HG GLU 88 -1.896 -7.554 19.108 750 H LEU 89 H LEU 89 -2.155 -7.876 16.164 751 HA LEU 89 HA LEU 89 -4.964 -7.890 16.778 752 HB2 LEU 89 1HB LEU 89 -3.305 -6.555 14.642 753 HB3 LEU 89 2HB LEU 89 -5.051 -6.429 14.669 754 HG LEU 89 HG LEU 89 -3.293 -5.525 16.960 755 HD11 LEU 89 1HD1 LEU 89 -2.766 -4.209 14.966 756 HD12 LEU 89 2HD1 LEU 89 -3.714 -3.228 16.096 757 HD13 LEU 89 3HD1 LEU 89 -4.494 -3.927 14.660 758 HD21 LEU 89 3HD2 LEU 89 -6.215 -4.987 16.271 759 HD22 LEU 89 1HD2 LEU 89 -5.317 -4.232 17.609 760 HD23 LEU 89 2HD2 LEU 89 -5.611 -5.980 17.622 761 H ILE 90 H ILE 90 -2.995 -9.114 14.062 762 HA ILE 90 HA ILE 90 -5.307 -10.113 12.618 763 HB ILE 90 HB ILE 90 -2.349 -10.875 12.395 764 HG12 ILE 90 1HG1 ILE 90 -4.021 -9.055 10.610 765 HG13 ILE 90 2HG1 ILE 90 -2.950 -8.461 11.878 766 HG21 ILE 90 1HG2 ILE 90 -3.814 -12.630 11.477 767 HG22 ILE 90 2HG2 ILE 90 -4.697 -11.413 10.520 768 HG23 ILE 90 3HG2 ILE 90 -2.992 -11.773 10.174 769 HD11 ILE 90 3HD1 ILE 90 -1.015 -9.601 10.718 770 HD12 ILE 90 1HD1 ILE 90 -2.114 -10.007 9.379 771 HD13 ILE 90 2HD1 ILE 90 -1.772 -8.308 9.760 772 H ASP 91 H ASP 91 -2.886 -11.568 14.840 773 HA ASP 91 HA ASP 91 -3.686 -14.265 14.469 774 HB2 ASP 91 1HB ASP 91 -1.617 -13.372 15.642 775 HB3 ASP 91 2HB ASP 91 -2.639 -13.046 17.050 776 H LYS 92 H LYS 92 -4.909 -11.733 16.664 777 HA LYS 92 HA LYS 92 -7.054 -13.631 17.514 778 HB2 LYS 92 1HB LYS 92 -6.096 -11.038 18.769 779 HB3 LYS 92 2HB LYS 92 -7.406 -12.039 19.387 780 HG2 LYS 92 1HG LYS 92 -4.510 -12.938 19.120 781 HG3 LYS 92 2HG LYS 92 -5.266 -12.380 20.616 782 HD2 LYS 92 1HD LYS 92 -6.296 -14.786 19.045 783 HD3 LYS 92 2HD LYS 92 -5.083 -14.911 20.323 784 HE2 LYS 92 1HE LYS 92 -6.664 -13.939 21.946 785 HE3 LYS 92 2HE LYS 92 -7.889 -13.784 20.667 786 HZ1 LYS 92 3HZ LYS 92 -8.115 -15.812 22.049 787 HZ2 LYS 92 1HZ LYS 92 -6.686 -16.371 21.440 788 HZ3 LYS 92 2HZ LYS 92 -7.979 -16.129 20.437 789 H LYS 93 H LYS 93 -7.118 -12.381 14.910 790 HA LYS 93 HA LYS 93 -8.879 -10.139 14.872 791 HB2 LYS 93 1HB LYS 93 -9.314 -10.639 12.598 792 HB3 LYS 93 2HB LYS 93 -7.634 -11.077 12.892 793 HG2 LYS 93 1HG LYS 93 -8.316 -13.482 13.056 794 HG3 LYS 93 2HG LYS 93 -9.991 -13.006 12.767 795 HD2 LYS 93 1HD LYS 93 -9.269 -13.752 10.676 796 HD3 LYS 93 2HD LYS 93 -9.204 -11.989 10.555 797 HE2 LYS 93 1HE LYS 93 -7.222 -12.996 9.533 798 HE3 LYS 93 2HE LYS 93 -6.757 -12.067 10.973 799 HZ1 LYS 93 3HZ LYS 93 -7.271 -14.961 11.152 800 HZ2 LYS 93 1HZ LYS 93 -6.392 -14.007 12.176 801 HZ3 LYS 93 2HZ LYS 93 -5.793 -14.407 10.684 802 H GLU 94 H GLU 94 -9.390 -13.475 15.591 803 HA GLU 94 HA GLU 94 -12.126 -13.841 15.028 804 HB2 GLU 94 1HB GLU 94 -11.872 -15.509 17.020 805 HB3 GLU 94 2HB GLU 94 -10.927 -15.773 15.547 806 HG2 GLU 94 1HG GLU 94 -8.920 -14.933 16.559 807 HG3 GLU 94 2HG GLU 94 -9.809 -14.276 17.942 808 H VAL 95 H VAL 95 -10.594 -12.249 17.806 809 HA VAL 95 HA VAL 95 -13.312 -11.917 19.022 810 HB VAL 95 HB VAL 95 -12.095 -11.541 21.175 811 HG11 VAL 95 1HG1 VAL 95 -11.357 -14.197 19.861 812 HG12 VAL 95 2HG1 VAL 95 -11.536 -13.877 21.600 813 HG13 VAL 95 3HG1 VAL 95 -12.954 -13.802 20.536 814 HG21 VAL 95 3HG2 VAL 95 -9.601 -12.479 19.676 815 HG22 VAL 95 1HG2 VAL 95 -9.909 -10.791 20.157 816 HG23 VAL 95 2HG2 VAL 95 -9.724 -12.047 21.396 817 H ASN 96 H ASN 96 -11.490 -10.417 16.941 818 HA ASN 96 HA ASN 96 -11.963 -7.723 18.145 819 HB2 ASN 96 1HB ASN 96 -9.539 -8.412 18.107 820 HB3 ASN 96 2HB ASN 96 -9.636 -8.467 16.347 821 HD21 ASN 96 2HD2 ASN 96 -8.116 -6.762 18.270 822 HD22 ASN 96 1HD2 ASN 96 -8.496 -5.120 17.811 823 HA PRO 97 HA PRO 97 -14.131 -8.291 14.145 824 HB2 PRO 97 1HB PRO 97 -16.356 -6.793 14.676 825 HB3 PRO 97 2HB PRO 97 -16.178 -8.492 15.225 826 HG2 PRO 97 1HG PRO 97 -15.619 -5.955 16.754 827 HG3 PRO 97 2HG PRO 97 -16.631 -7.358 17.231 828 HD2 PRO 97 1HD PRO 97 -14.091 -7.137 18.083 829 HD3 PRO 97 2HD PRO 97 -14.752 -8.735 17.587 830 H GLN 98 H GLN 98 -13.100 -5.467 15.928 831 HA GLN 98 HA GLN 98 -13.732 -3.489 13.954 832 HB2 GLN 98 1HB GLN 98 -12.698 -3.448 16.510 833 HB3 GLN 98 2HB GLN 98 -11.245 -3.140 15.558 834 HG2 GLN 98 1HG GLN 98 -13.804 -1.505 15.575 835 HG3 GLN 98 2HG GLN 98 -12.217 -1.032 16.214 836 HE21 GLN 98 2HE2 GLN 98 -14.255 -0.392 13.796 837 HE22 GLN 98 1HE2 GLN 98 -13.102 -0.016 12.533 838 H VAL 99 H VAL 99 -10.750 -5.399 14.702 839 HA VAL 99 HA VAL 99 -9.488 -4.331 12.336 840 HB VAL 99 HB VAL 99 -8.336 -5.171 14.510 841 HG11 VAL 99 1HG1 VAL 99 -7.633 -7.455 14.591 842 HG12 VAL 99 2HG1 VAL 99 -9.382 -7.499 14.308 843 HG13 VAL 99 3HG1 VAL 99 -8.267 -7.798 12.965 844 HG21 VAL 99 3HG2 VAL 99 -7.179 -4.296 12.510 845 HG22 VAL 99 1HG2 VAL 99 -6.277 -5.620 13.262 846 HG23 VAL 99 2HG2 VAL 99 -7.208 -5.920 11.786 847 H MET 100 H MET 100 -11.490 -7.140 12.981 848 HA MET 100 HA MET 100 -10.614 -8.765 10.814 849 HB2 MET 100 1HB MET 100 -12.543 -8.876 12.799 850 HB3 MET 100 2HB MET 100 -13.491 -8.817 11.331 851 HG2 MET 100 1HG MET 100 -11.396 -10.847 12.115 852 HG3 MET 100 2HG MET 100 -13.128 -11.119 11.945 853 HE1 MET 100 3HE MET 100 -13.664 -11.218 8.078 854 HE2 MET 100 1HE MET 100 -14.391 -11.458 9.684 855 HE3 MET 100 2HE MET 100 -13.953 -9.820 9.136 856 H ALA 101 H ALA 101 -12.859 -6.004 10.968 857 HA ALA 101 HA ALA 101 -13.850 -6.241 8.292 858 HB1 ALA 101 3HB ALA 101 -14.902 -4.796 9.979 859 HB2 ALA 101 1HB ALA 101 -13.442 -3.783 10.050 860 HB3 ALA 101 2HB ALA 101 -14.418 -3.836 8.561 861 H ALA 102 H ALA 102 -10.836 -4.928 9.630 862 HA ALA 102 HA ALA 102 -10.057 -3.629 7.142 863 HB1 ALA 102 3HB ALA 102 -7.959 -3.196 8.282 864 HB2 ALA 102 1HB ALA 102 -9.298 -2.852 9.394 865 HB3 ALA 102 2HB ALA 102 -8.370 -4.353 9.567 866 H VAL 103 H VAL 103 -9.597 -6.789 8.709 867 HA VAL 103 HA VAL 103 -7.409 -7.717 7.101 868 HB VAL 103 HB VAL 103 -9.754 -9.237 8.381 869 HG11 VAL 103 1HG1 VAL 103 -8.802 -10.577 6.527 870 HG12 VAL 103 2HG1 VAL 103 -7.194 -10.415 7.257 871 HG13 VAL 103 3HG1 VAL 103 -8.473 -11.296 8.108 872 HG21 VAL 103 3HG2 VAL 103 -6.859 -9.014 9.287 873 HG22 VAL 103 1HG2 VAL 103 -8.196 -8.052 9.944 874 HG23 VAL 103 2HG2 VAL 103 -8.196 -9.808 10.149 875 H ALA 104 H ALA 104 -10.964 -8.042 6.708 876 HA ALA 104 HA ALA 104 -10.792 -9.347 4.171 877 HB1 ALA 104 3HB ALA 104 -12.812 -9.409 5.591 878 HB2 ALA 104 1HB ALA 104 -13.048 -7.658 5.357 879 HB3 ALA 104 2HB ALA 104 -13.197 -8.772 3.975 880 H GLN 105 H GLN 105 -11.155 -5.881 5.049 881 HA GLN 105 HA GLN 105 -11.471 -4.983 2.359 882 HB2 GLN 105 1HB GLN 105 -10.576 -3.680 4.931 883 HB3 GLN 105 2HB GLN 105 -10.402 -2.832 3.382 884 HG2 GLN 105 1HG GLN 105 -12.844 -3.238 2.961 885 HG3 GLN 105 2HG GLN 105 -12.968 -3.815 4.630 886 HE21 GLN 105 2HE2 GLN 105 -13.620 -2.324 6.024 887 HE22 GLN 105 1HE2 GLN 105 -13.356 -0.601 5.868 888 H THR 106 H THR 106 -8.509 -5.488 4.339 889 HA THR 106 HA THR 106 -6.805 -4.207 2.422 890 HB THR 106 HB THR 106 -5.974 -6.418 4.336 891 HG1 THR 106 HG1 THR 106 -7.005 -4.828 5.517 892 HG21 THR 106 1HG2 THR 106 -4.264 -5.756 2.663 893 HG22 THR 106 2HG2 THR 106 -3.811 -5.221 4.291 894 HG23 THR 106 3HG2 THR 106 -4.477 -4.052 3.133 895 H GLU 107 H GLU 107 -7.781 -7.646 2.909 896 HA GLU 107 HA GLU 107 -6.166 -8.736 0.862 897 HB2 GLU 107 1HB GLU 107 -8.918 -9.509 1.873 898 HB3 GLU 107 2HB GLU 107 -8.077 -10.416 0.607 899 HG2 GLU 107 1HG GLU 107 -6.163 -10.717 2.141 900 HG3 GLU 107 2HG GLU 107 -7.100 -9.944 3.423 901 H GLU 108 H GLU 108 -9.463 -7.287 0.590 902 HA GLU 108 HA GLU 108 -9.582 -7.818 -2.233 903 HB2 GLU 108 1HB GLU 108 -11.130 -5.947 -0.437 904 HB3 GLU 108 2HB GLU 108 -11.452 -6.118 -2.171 905 HG2 GLU 108 1HG GLU 108 -11.598 -8.315 -0.082 906 HG3 GLU 108 2HG GLU 108 -12.964 -7.561 -0.922 907 H ILE 109 H ILE 109 -8.270 -5.100 -0.392 908 HA ILE 109 HA ILE 109 -7.961 -3.363 -2.686 909 HB ILE 109 HB ILE 109 -6.418 -3.521 -0.055 910 HG12 ILE 109 1HG1 ILE 109 -8.321 -1.370 -1.031 911 HG13 ILE 109 2HG1 ILE 109 -8.913 -2.807 -0.211 912 HG21 ILE 109 1HG2 ILE 109 -4.895 -2.522 -1.742 913 HG22 ILE 109 2HG2 ILE 109 -6.184 -1.441 -2.312 914 HG23 ILE 109 3HG2 ILE 109 -5.498 -1.238 -0.684 915 HD11 ILE 109 3HD1 ILE 109 -8.753 -1.130 1.452 916 HD12 ILE 109 1HD1 ILE 109 -7.377 -2.220 1.726 917 HD13 ILE 109 2HD1 ILE 109 -7.125 -0.651 0.925 918 H LEU 110 H LEU 110 -6.015 -6.016 -1.259 919 HA LEU 110 HA LEU 110 -3.787 -5.623 -3.045 920 HB2 LEU 110 1HB LEU 110 -4.713 -8.165 -1.668 921 HB3 LEU 110 2HB LEU 110 -3.168 -7.943 -2.470 922 HG LEU 110 HG LEU 110 -4.070 -6.519 0.043 923 HD11 LEU 110 1HD1 LEU 110 -2.279 -7.860 1.104 924 HD12 LEU 110 2HD1 LEU 110 -2.020 -8.702 -0.442 925 HD13 LEU 110 3HD1 LEU 110 -3.568 -8.869 0.420 926 HD21 LEU 110 3HD2 LEU 110 -1.538 -6.294 -1.576 927 HD22 LEU 110 1HD2 LEU 110 -1.666 -5.785 0.123 928 HD23 LEU 110 2HD2 LEU 110 -2.664 -5.000 -1.113 929 H LYS 111 H LYS 111 -6.898 -7.265 -3.500 930 HA LYS 111 HA LYS 111 -6.011 -8.823 -5.784 931 HB2 LYS 111 1HB LYS 111 -8.832 -7.788 -5.336 932 HB3 LYS 111 2HB LYS 111 -8.346 -9.203 -6.268 933 HG2 LYS 111 1HG LYS 111 -8.137 -8.906 -3.274 934 HG3 LYS 111 2HG LYS 111 -9.432 -9.739 -4.101 935 HD2 LYS 111 1HD LYS 111 -7.983 -11.499 -4.783 936 HD3 LYS 111 2HD LYS 111 -6.529 -10.573 -4.346 937 HE2 LYS 111 1HE LYS 111 -7.019 -12.277 -2.630 938 HE3 LYS 111 2HE LYS 111 -7.129 -10.639 -1.978 939 HZ1 LYS 111 3HZ LYS 111 -9.436 -12.343 -2.715 940 HZ2 LYS 111 1HZ LYS 111 -9.562 -10.796 -2.162 941 HZ3 LYS 111 2HZ LYS 111 -8.945 -11.974 -1.185 942 H SER 112 H SER 112 -7.372 -5.589 -5.331 943 HA SER 112 HA SER 112 -7.539 -5.094 -8.223 944 HB2 SER 112 1HB SER 112 -9.197 -4.119 -6.699 945 HB3 SER 112 2HB SER 112 -7.915 -3.278 -5.807 946 HG SER 112 HG SER 112 -8.374 -2.905 -8.583 947 H ASN 113 H ASN 113 -5.679 -3.798 -5.494 948 HA ASN 113 HA ASN 113 -3.960 -2.375 -5.347 949 HB2 ASN 113 1HB ASN 113 -3.075 -4.719 -5.974 950 HB3 ASN 113 2HB ASN 113 -2.590 -3.975 -7.502 951 HD21 ASN 113 2HD2 ASN 113 -2.642 -2.355 -4.336 952 HD22 ASN 113 1HD2 ASN 113 -0.926 -2.164 -4.196 953 H SER 114 H SER 114 -5.837 -1.289 -7.153 954 HA SER 114 HA SER 114 -4.479 -0.162 -9.436 955 HB2 SER 114 1HB SER 114 -6.919 -0.339 -9.379 956 HB3 SER 114 2HB SER 114 -6.988 0.742 -7.972 957 HG SER 114 HG SER 114 -6.595 2.428 -9.214 958 H GLN 115 H GLN 115 -2.629 0.926 -8.987 959 HA GLN 115 HA GLN 115 -2.290 2.672 -6.753 960 HB2 GLN 115 1HB GLN 115 -0.241 3.363 -7.781 961 HB3 GLN 115 2HB GLN 115 -0.431 1.630 -8.055 962 HG2 GLN 115 1HG GLN 115 -1.099 2.034 -10.378 963 HG3 GLN 115 2HG GLN 115 -1.066 3.782 -10.110 964 HE21 GLN 115 2HE2 GLN 115 0.615 4.686 -11.072 965 HE22 GLN 115 1HE2 GLN 115 2.222 4.013 -11.126 966 H THR 116 H THR 116 -3.960 3.135 -9.714 967 HA THR 116 HA THR 116 -4.823 4.969 -10.778 968 HB THR 116 HB THR 116 -5.328 6.121 -8.052 969 HG1 THR 116 HG1 THR 116 -5.600 3.897 -7.789 970 HG21 THR 116 1HG2 THR 116 -6.308 7.167 -10.099 971 HG22 THR 116 2HG2 THR 116 -7.554 6.484 -9.027 972 HG23 THR 116 3HG2 THR 116 -7.070 5.609 -10.498 973 H ASP 117 H ASP 117 -2.244 5.278 -10.894 974 HA ASP 117 HA ASP 117 -0.553 6.695 -11.367 975 HB2 ASP 117 1HB ASP 117 -2.665 7.601 -12.619 976 HB3 ASP 117 2HB ASP 117 -2.480 8.993 -11.543 977 H LEU 118 H LEU 118 -1.028 6.512 -8.457 978 HA LEU 118 HA LEU 118 -0.696 9.101 -7.300 979 HB2 LEU 118 1HB LEU 118 -0.169 7.976 -5.268 980 HB3 LEU 118 2HB LEU 118 -1.448 7.113 -6.095 981 HG LEU 118 HG LEU 118 0.507 5.522 -6.883 982 HD11 LEU 118 1HD1 LEU 118 1.614 6.714 -4.298 983 HD12 LEU 118 2HD1 LEU 118 2.371 6.805 -5.904 984 HD13 LEU 118 3HD1 LEU 118 2.209 5.238 -5.096 985 HD21 LEU 118 3HD2 LEU 118 -1.452 4.935 -5.447 986 HD22 LEU 118 1HD2 LEU 118 -0.552 5.504 -4.022 987 HD23 LEU 118 2HD2 LEU 118 0.030 4.102 -4.950 988 H GLU 119 H GLU 119 1.138 10.064 -6.264 989 HA GLU 119 HA GLU 119 3.393 10.248 -8.011 990 HB2 GLU 119 1HB GLU 119 2.822 11.381 -5.261 991 HB3 GLU 119 2HB GLU 119 4.326 11.678 -6.128 992 HG2 GLU 119 1HG GLU 119 2.999 12.623 -8.022 993 HG3 GLU 119 2HG GLU 119 1.565 12.527 -6.979 994 H HIS 120 H HIS 120 4.083 7.869 -7.882 995 HA HIS 120 HA HIS 120 5.652 7.230 -5.477 996 HB2 HIS 120 1HB HIS 120 4.274 5.620 -6.896 997 HB3 HIS 120 2HB HIS 120 5.592 5.662 -8.068 998 HD1 HIS 120 HD1 HIS 120 7.732 4.316 -7.507 999 HD2 HIS 120 HD2 HIS 120 4.919 4.369 -4.397 1000 HE1 HIS 120 HE1 HIS 120 8.487 2.579 -5.788 1001 H HIS 121 H HIS 121 6.878 9.494 -6.255 1002 HA HIS 121 HA HIS 121 9.222 8.571 -7.853 1003 HB2 HIS 121 1HB HIS 121 9.755 11.018 -8.200 1004 HB3 HIS 121 2HB HIS 121 8.377 10.305 -9.033 1005 HD1 HIS 121 HD1 HIS 121 7.645 12.889 -9.307 1006 HD2 HIS 121 HD2 HIS 121 7.377 11.296 -5.436 1007 HE1 HIS 121 HE1 HIS 121 6.091 14.408 -7.974 1008 H HIS 122 H HIS 122 8.855 8.847 -4.596 1009 HA HIS 122 HA HIS 122 10.460 8.892 -2.895 1010 HB2 HIS 122 1HB HIS 122 10.712 6.888 -4.612 1011 HB3 HIS 122 2HB HIS 122 12.294 7.604 -4.913 1012 HD1 HIS 122 HD1 HIS 122 13.799 7.954 -2.563 1013 HD2 HIS 122 HD2 HIS 122 10.685 5.140 -2.516 1014 HE1 HIS 122 HE1 HIS 122 14.251 6.361 -0.607 1015 H HIS 123 H HIS 123 10.817 11.538 -4.133 1016 HA HIS 123 HA HIS 123 13.401 11.961 -5.119 1017 HB2 HIS 123 1HB HIS 123 11.439 13.529 -5.238 1018 HB3 HIS 123 2HB HIS 123 11.814 14.039 -3.585 1019 HD1 HIS 123 HD1 HIS 123 12.141 16.485 -4.832 1020 HD2 HIS 123 HD2 HIS 123 15.014 13.540 -5.669 1021 HE1 HIS 123 HE1 HIS 123 14.158 17.676 -5.837 1022 H HIS 124 H HIS 124 12.485 12.190 -1.631 1023 HA HIS 124 HA HIS 124 15.412 12.559 -1.099 1024 HB2 HIS 124 1HB HIS 124 14.897 13.805 0.884 1025 HB3 HIS 124 2HB HIS 124 14.012 14.544 -0.453 1026 HD1 HIS 124 HD1 HIS 124 13.506 12.478 2.726 1027 HD2 HIS 124 HD2 HIS 124 11.212 14.505 -0.167 1028 HE1 HIS 124 HE1 HIS 124 11.114 12.587 3.598 1029 H HIS 125 H HIS 125 16.142 11.581 0.972 1030 HA HIS 125 HA HIS 125 14.720 9.012 1.466 1031 HB2 HIS 125 1HB HIS 125 16.723 8.262 2.584 1032 HB3 HIS 125 2HB HIS 125 17.186 8.902 1.003 1033 HD1 HIS 125 HD1 HIS 125 19.503 9.846 1.349 1034 HD2 HIS 125 HD2 HIS 125 16.884 10.906 4.450 1035 HE1 HIS 125 HE1 HIS 125 20.778 11.433 2.887 Start of MODEL 12 1 H21 MYR 1 1H2 MYR 1 0.702 0.583 -1.013 2 H22 MYR 1 2H2 MYR 1 1.978 0.167 0.120 3 H31 MYR 1 1H3 MYR 1 -0.551 -1.486 -0.451 4 H32 MYR 1 2H3 MYR 1 1.081 -1.869 -0.991 5 H41 MYR 1 1H4 MYR 1 1.798 -2.081 1.455 6 H42 MYR 1 2H4 MYR 1 0.128 -1.778 1.928 7 H51 MYR 1 1H5 MYR 1 -0.297 -3.870 0.197 8 H52 MYR 1 2H5 MYR 1 1.347 -4.261 0.671 9 H61 MYR 1 1H6 MYR 1 -0.951 -3.745 2.658 10 H62 MYR 1 2H6 MYR 1 -0.537 -5.344 2.068 11 H71 MYR 1 1H7 MYR 1 1.415 -5.519 3.345 12 H72 MYR 1 2H7 MYR 1 1.761 -3.803 3.274 13 H81 MYR 1 1H8 MYR 1 1.229 -4.157 5.545 14 H82 MYR 1 2H8 MYR 1 -0.201 -3.398 4.866 15 H91 MYR 1 1H9 MYR 1 0.183 -6.371 5.534 16 H92 MYR 1 2H9 MYR 1 -1.197 -5.786 4.609 17 H101 MYR 1 1H10 MYR 1 -1.883 -4.318 6.464 18 H102 MYR 1 2H10 MYR 1 -0.485 -4.804 7.429 19 H111 MYR 1 1H11 MYR 1 -2.564 -6.826 6.427 20 H112 MYR 1 2H11 MYR 1 -1.311 -7.087 7.632 21 H121 MYR 1 1H12 MYR 1 -3.228 -6.806 8.971 22 H122 MYR 1 2H12 MYR 1 -2.529 -5.192 9.015 23 H131 MYR 1 1H13 MYR 1 -4.130 -4.501 7.145 24 H132 MYR 1 2H13 MYR 1 -4.842 -6.110 7.198 25 H141 MYR 1 1H14 MYR 1 -4.802 -4.106 9.526 26 H142 MYR 1 2H14 MYR 1 -6.194 -4.502 8.510 27 H143 MYR 1 3H14 MYR 1 -5.518 -5.730 9.589 28 H GLY 2 H GLY 2 1.833 0.842 2.122 29 HA2 GLY 2 1HA GLY 2 -0.535 1.306 3.674 30 HA3 GLY 2 2HA GLY 2 1.106 1.848 4.066 31 H GLN 3 H GLN 3 1.534 3.371 1.635 32 HA GLN 3 HA GLN 3 0.290 5.851 2.475 33 HB2 GLN 3 1HB GLN 3 1.801 5.114 -0.056 34 HB3 GLN 3 2HB GLN 3 1.302 6.755 0.382 35 HG2 GLN 3 1HG GLN 3 2.647 6.542 2.488 36 HG3 GLN 3 2HG GLN 3 3.249 4.991 1.895 37 HE21 GLN 3 2HE2 GLN 3 4.938 4.949 0.489 38 HE22 GLN 3 1HE2 GLN 3 5.655 6.401 -0.189 39 H GLU 4 H GLU 4 -0.576 3.356 0.133 40 HA GLU 4 HA GLU 4 -2.599 5.027 -1.160 41 HB2 GLU 4 1HB GLU 4 -1.550 3.226 -2.393 42 HB3 GLU 4 2HB GLU 4 -2.071 2.035 -1.188 43 HG2 GLU 4 1HG GLU 4 -4.355 2.357 -1.723 44 HG3 GLU 4 2HG GLU 4 -3.978 3.747 -2.744 45 H LEU 5 H LEU 5 -2.456 2.559 1.389 46 HA LEU 5 HA LEU 5 -5.258 2.321 1.823 47 HB2 LEU 5 1HB LEU 5 -2.731 1.599 3.159 48 HB3 LEU 5 2HB LEU 5 -4.088 1.811 4.256 49 HG LEU 5 HG LEU 5 -5.323 0.072 3.243 50 HD11 LEU 5 1HD1 LEU 5 -3.272 -0.052 1.037 51 HD12 LEU 5 2HD1 LEU 5 -4.990 0.406 0.905 52 HD13 LEU 5 3HD1 LEU 5 -4.551 -1.257 1.324 53 HD21 LEU 5 3HD2 LEU 5 -3.438 -0.567 4.755 54 HD22 LEU 5 1HD2 LEU 5 -2.432 -0.857 3.314 55 HD23 LEU 5 2HD2 LEU 5 -3.887 -1.842 3.609 56 H SER 6 H SER 6 -2.872 4.620 3.192 57 HA SER 6 HA SER 6 -4.664 5.711 5.163 58 HB2 SER 6 1HB SER 6 -3.050 7.569 5.250 59 HB3 SER 6 2HB SER 6 -2.224 6.000 5.248 60 HG SER 6 HG SER 6 -1.284 7.501 3.783 61 H GLN 7 H GLN 7 -4.702 6.106 1.721 62 HA GLN 7 HA GLN 7 -6.361 8.568 2.071 63 HB2 GLN 7 1HB GLN 7 -5.837 9.097 -0.254 64 HB3 GLN 7 2HB GLN 7 -4.391 9.005 0.749 65 HG2 GLN 7 1HG GLN 7 -3.966 6.733 -0.131 66 HG3 GLN 7 2HG GLN 7 -5.354 6.907 -1.213 67 HE21 GLN 7 2HE2 GLN 7 -2.042 7.337 -0.814 68 HE22 GLN 7 1HE2 GLN 7 -1.760 8.332 -2.231 69 H HIS 8 H HIS 8 -6.618 5.273 1.601 70 HA HIS 8 HA HIS 8 -9.039 5.433 -0.128 71 HB2 HIS 8 1HB HIS 8 -7.409 3.243 1.154 72 HB3 HIS 8 2HB HIS 8 -9.128 2.941 0.896 73 HD1 HIS 8 HD1 HIS 8 -6.043 3.974 -1.156 74 HD2 HIS 8 HD2 HIS 8 -9.751 2.063 -1.614 75 HE1 HIS 8 HE1 HIS 8 -6.144 3.082 -3.557 76 H GLU 9 H GLU 9 -10.423 6.793 1.132 77 HA GLU 9 HA GLU 9 -10.501 6.795 3.898 78 HB2 GLU 9 1HB GLU 9 -11.538 8.443 2.326 79 HB3 GLU 9 2HB GLU 9 -12.939 7.361 2.210 80 HG2 GLU 9 1HG GLU 9 -13.347 7.552 4.604 81 HG3 GLU 9 2HG GLU 9 -11.832 8.436 4.834 82 H ARG 10 H ARG 10 -12.342 4.577 1.813 83 HA ARG 10 HA ARG 10 -14.069 3.488 3.779 84 HB2 ARG 10 1HB ARG 10 -14.058 3.052 1.298 85 HB3 ARG 10 2HB ARG 10 -12.645 2.018 1.522 86 HG2 ARG 10 1HG ARG 10 -13.971 0.473 2.892 87 HG3 ARG 10 2HG ARG 10 -15.392 1.523 2.740 88 HD2 ARG 10 1HD ARG 10 -15.489 1.185 0.363 89 HD3 ARG 10 2HD ARG 10 -13.903 0.411 0.335 90 HE ARG 10 HE ARG 10 -16.458 -0.806 1.193 91 HH11 ARG 10 1HH1 ARG 10 -12.972 -1.249 0.740 92 HH12 ARG 10 2HH1 ARG 10 -13.124 -3.000 0.741 93 HH21 ARG 10 1HH2 ARG 10 -16.511 -3.055 1.178 94 HH22 ARG 10 2HH2 ARG 10 -15.030 -3.972 0.964 95 H TYR 11 H TYR 11 -10.617 2.727 3.107 96 HA TYR 11 HA TYR 11 -10.530 0.611 5.103 97 HB2 TYR 11 1HB TYR 11 -9.061 0.713 3.106 98 HB3 TYR 11 2HB TYR 11 -8.327 2.194 3.729 99 HD1 TYR 11 HD2 TYR 11 -8.827 -1.429 4.466 100 HD2 TYR 11 HD1 TYR 11 -6.544 2.109 5.299 101 HE1 TYR 11 HE2 TYR 11 -7.206 -2.776 5.778 102 HE2 TYR 11 HE1 TYR 11 -4.916 0.734 6.580 103 HH TYR 11 HH TYR 11 -4.341 -1.328 7.318 104 H VAL 12 H VAL 12 -9.656 4.047 4.874 105 HA VAL 12 HA VAL 12 -8.322 4.320 7.361 106 HB VAL 12 HB VAL 12 -10.021 6.348 5.829 107 HG11 VAL 12 1HG1 VAL 12 -8.831 8.100 7.043 108 HG12 VAL 12 2HG1 VAL 12 -9.697 7.060 8.188 109 HG13 VAL 12 3HG1 VAL 12 -7.942 6.882 7.976 110 HG21 VAL 12 3HG2 VAL 12 -8.039 5.414 4.598 111 HG22 VAL 12 1HG2 VAL 12 -7.915 7.149 4.916 112 HG23 VAL 12 2HG2 VAL 12 -7.001 5.991 5.908 113 H GLU 13 H GLU 13 -11.819 4.378 6.541 114 HA GLU 13 HA GLU 13 -12.770 5.297 9.025 115 HB2 GLU 13 1HB GLU 13 -13.916 3.462 6.940 116 HB3 GLU 13 2HB GLU 13 -14.798 3.817 8.434 117 HG2 GLU 13 1HG GLU 13 -14.623 6.221 7.954 118 HG3 GLU 13 2HG GLU 13 -13.848 5.853 6.411 119 H GLN 14 H GLN 14 -12.038 1.897 8.110 120 HA GLN 14 HA GLN 14 -12.892 0.899 10.685 121 HB2 GLN 14 1HB GLN 14 -11.019 -0.226 8.573 122 HB3 GLN 14 2HB GLN 14 -11.408 -1.072 10.076 123 HG2 GLN 14 1HG GLN 14 -13.355 -0.268 7.901 124 HG3 GLN 14 2HG GLN 14 -12.823 -1.907 8.313 125 HE21 GLN 14 2HE2 GLN 14 -13.076 -2.194 10.938 126 HE22 GLN 14 1HE2 GLN 14 -14.710 -1.841 11.464 127 H LEU 15 H LEU 15 -9.813 2.112 9.382 128 HA LEU 15 HA LEU 15 -8.334 1.425 11.756 129 HB2 LEU 15 1HB LEU 15 -7.813 3.368 9.517 130 HB3 LEU 15 2HB LEU 15 -6.727 3.157 10.869 131 HG LEU 15 HG LEU 15 -7.335 1.186 8.673 132 HD11 LEU 15 1HD1 LEU 15 -4.801 1.367 8.536 133 HD12 LEU 15 2HD1 LEU 15 -4.893 2.666 9.734 134 HD13 LEU 15 3HD1 LEU 15 -5.689 2.853 8.150 135 HD21 LEU 15 3HD2 LEU 15 -7.268 -0.183 10.690 136 HD22 LEU 15 1HD2 LEU 15 -5.808 0.663 11.262 137 HD23 LEU 15 2HD2 LEU 15 -5.742 -0.370 9.814 138 H LYS 16 H LYS 16 -10.446 4.148 11.022 139 HA LYS 16 HA LYS 16 -9.434 6.047 12.906 140 HB2 LYS 16 1HB LYS 16 -12.327 5.399 12.176 141 HB3 LYS 16 2HB LYS 16 -11.858 6.763 13.177 142 HG2 LYS 16 1HG LYS 16 -10.709 7.834 11.311 143 HG3 LYS 16 2HG LYS 16 -10.956 6.411 10.303 144 HD2 LYS 16 1HD LYS 16 -13.456 6.731 10.531 145 HD3 LYS 16 2HD LYS 16 -13.128 8.278 11.332 146 HE2 LYS 16 1HE LYS 16 -11.981 9.112 9.302 147 HE3 LYS 16 2HE LYS 16 -12.160 7.533 8.523 148 HZ1 LYS 16 3HZ LYS 16 -14.576 7.865 8.508 149 HZ2 LYS 16 1HZ LYS 16 -13.825 9.090 7.705 150 HZ3 LYS 16 2HZ LYS 16 -14.419 9.343 9.223 151 H GLN 17 H GLN 17 -11.523 3.198 13.235 152 HA GLN 17 HA GLN 17 -11.649 3.514 16.150 153 HB2 GLN 17 1HB GLN 17 -12.603 1.320 14.282 154 HB3 GLN 17 2HB GLN 17 -12.854 1.317 16.030 155 HG2 GLN 17 1HG GLN 17 -13.834 3.620 14.325 156 HG3 GLN 17 2HG GLN 17 -14.770 2.132 14.489 157 HE21 GLN 17 2HE2 GLN 17 -16.470 2.849 15.649 158 HE22 GLN 17 1HE2 GLN 17 -16.345 3.521 17.256 159 H ALA 18 H ALA 18 -10.028 1.269 13.817 160 HA ALA 18 HA ALA 18 -9.112 -0.443 15.885 161 HB1 ALA 18 3HB ALA 18 -7.718 -1.473 14.200 162 HB2 ALA 18 1HB ALA 18 -9.310 -1.070 13.511 163 HB3 ALA 18 2HB ALA 18 -7.890 -0.058 13.138 164 H LEU 19 H LEU 19 -7.401 2.418 14.460 165 HA LEU 19 HA LEU 19 -4.929 1.882 15.893 166 HB2 LEU 19 1HB LEU 19 -6.145 4.241 14.506 167 HB3 LEU 19 2HB LEU 19 -5.042 4.607 15.815 168 HG LEU 19 HG LEU 19 -3.326 3.115 14.590 169 HD11 LEU 19 1HD1 LEU 19 -3.580 3.185 12.096 170 HD12 LEU 19 2HD1 LEU 19 -5.271 3.685 12.328 171 HD13 LEU 19 3HD1 LEU 19 -4.733 2.089 12.903 172 HD21 LEU 19 3HD2 LEU 19 -4.222 5.775 13.407 173 HD22 LEU 19 1HD2 LEU 19 -2.616 5.033 13.199 174 HD23 LEU 19 2HD2 LEU 19 -3.151 5.555 14.811 175 H LYS 20 H LYS 20 -7.969 3.553 16.602 176 HA LYS 20 HA LYS 20 -7.150 4.694 19.100 177 HB2 LYS 20 1HB LYS 20 -9.030 5.479 17.670 178 HB3 LYS 20 2HB LYS 20 -9.933 4.021 18.085 179 HG2 LYS 20 1HG LYS 20 -9.944 4.692 20.451 180 HG3 LYS 20 2HG LYS 20 -9.060 6.175 20.029 181 HD2 LYS 20 1HD LYS 20 -10.904 6.847 18.528 182 HD3 LYS 20 2HD LYS 20 -11.788 5.363 18.933 183 HE2 LYS 20 1HE LYS 20 -10.980 7.506 20.942 184 HE3 LYS 20 2HE LYS 20 -12.585 7.371 20.192 185 HZ1 LYS 20 3HZ LYS 20 -11.318 5.298 21.893 186 HZ2 LYS 20 1HZ LYS 20 -12.805 5.178 21.191 187 HZ3 LYS 20 2HZ LYS 20 -12.536 6.310 22.360 188 H THR 21 H THR 21 -8.866 1.605 18.346 189 HA THR 21 HA THR 21 -9.410 1.043 21.122 190 HB THR 21 HB THR 21 -9.722 -1.345 20.296 191 HG1 THR 21 HG1 THR 21 -9.308 -1.794 18.245 192 HG21 THR 21 1HG2 THR 21 -11.182 0.847 18.770 193 HG22 THR 21 2HG2 THR 21 -11.620 0.203 20.368 194 HG23 THR 21 3HG2 THR 21 -11.717 -0.838 18.934 195 H ARG 22 H ARG 22 -6.532 0.599 19.134 196 HA ARG 22 HA ARG 22 -5.404 -1.393 20.909 197 HB2 ARG 22 1HB ARG 22 -4.676 -0.936 18.509 198 HB3 ARG 22 2HB ARG 22 -3.871 0.519 19.107 199 HG2 ARG 22 1HG ARG 22 -2.211 -1.237 18.925 200 HG3 ARG 22 2HG ARG 22 -2.506 -0.954 20.641 201 HD2 ARG 22 1HD ARG 22 -4.238 -2.896 20.435 202 HD3 ARG 22 2HD ARG 22 -3.383 -3.284 18.941 203 HE ARG 22 HE ARG 22 -1.595 -4.104 20.192 204 HH11 ARG 22 1HH1 ARG 22 -3.666 -2.233 22.405 205 HH12 ARG 22 2HH1 ARG 22 -2.870 -2.889 23.806 206 HH21 ARG 22 1HH2 ARG 22 -0.669 -4.863 22.003 207 HH22 ARG 22 2HH2 ARG 22 -1.181 -4.315 23.589 208 H GLY 23 H GLY 23 -5.836 2.038 21.040 209 HA2 GLY 23 1HA GLY 23 -5.598 3.382 22.896 210 HA3 GLY 23 2HA GLY 23 -4.905 2.015 23.777 211 H VAL 24 H VAL 24 -3.370 2.794 20.769 212 HA VAL 24 HA VAL 24 -1.127 3.983 22.346 213 HB VAL 24 HB VAL 24 -0.913 2.561 19.654 214 HG11 VAL 24 1HG1 VAL 24 1.194 3.244 21.768 215 HG12 VAL 24 2HG1 VAL 24 1.488 2.461 20.198 216 HG13 VAL 24 3HG1 VAL 24 0.943 4.147 20.257 217 HG21 VAL 24 3HG2 VAL 24 -0.471 1.448 22.466 218 HG22 VAL 24 1HG2 VAL 24 -1.709 0.930 21.305 219 HG23 VAL 24 2HG2 VAL 24 0.001 0.628 20.958 220 H LYS 25 H LYS 25 -0.518 6.006 21.882 221 HA LYS 25 HA LYS 25 -2.121 7.541 20.002 222 HB2 LYS 25 1HB LYS 25 -1.333 8.331 22.262 223 HB3 LYS 25 2HB LYS 25 0.311 8.396 21.621 224 HG2 LYS 25 1HG LYS 25 -0.443 10.085 19.943 225 HG3 LYS 25 2HG LYS 25 -2.068 10.034 20.659 226 HD2 LYS 25 1HD LYS 25 -1.099 10.728 22.845 227 HD3 LYS 25 2HD LYS 25 0.504 10.822 22.088 228 HE2 LYS 25 1HE LYS 25 -0.343 12.550 20.522 229 HE3 LYS 25 2HE LYS 25 -1.937 12.466 21.304 230 HZ1 LYS 25 3HZ LYS 25 -0.615 14.297 22.177 231 HZ2 LYS 25 1HZ LYS 25 0.589 13.269 22.645 232 HZ3 LYS 25 2HZ LYS 25 -0.891 13.192 23.369 233 H VAL 26 H VAL 26 -1.586 6.547 17.994 234 HA VAL 26 HA VAL 26 1.121 7.312 16.950 235 HB VAL 26 HB VAL 26 -0.682 5.047 15.945 236 HG11 VAL 26 1HG1 VAL 26 2.222 5.764 15.344 237 HG12 VAL 26 2HG1 VAL 26 1.365 4.325 14.748 238 HG13 VAL 26 3HG1 VAL 26 0.841 5.929 14.238 239 HG21 VAL 26 3HG2 VAL 26 1.734 4.942 17.791 240 HG22 VAL 26 1HG2 VAL 26 0.069 4.411 18.138 241 HG23 VAL 26 2HG2 VAL 26 1.047 3.527 16.958 242 H LYS 27 H LYS 27 1.149 8.591 15.121 243 HA LYS 27 HA LYS 27 -1.386 9.745 14.223 244 HB2 LYS 27 1HB LYS 27 0.920 10.892 14.351 245 HB3 LYS 27 2HB LYS 27 1.348 9.981 12.901 246 HG2 LYS 27 1HG LYS 27 -0.485 11.094 11.661 247 HG3 LYS 27 2HG LYS 27 -0.950 11.962 13.140 248 HD2 LYS 27 1HD LYS 27 1.409 12.901 13.210 249 HD3 LYS 27 2HD LYS 27 1.659 12.228 11.591 250 HE2 LYS 27 1HE LYS 27 -0.521 14.229 12.354 251 HE3 LYS 27 2HE LYS 27 1.026 14.658 11.607 252 HZ1 LYS 27 3HZ LYS 27 0.389 13.345 9.673 253 HZ2 LYS 27 1HZ LYS 27 -0.719 14.529 9.966 254 HZ3 LYS 27 2HZ LYS 27 -1.064 12.967 10.360 255 H PHE 28 H PHE 28 -2.414 9.280 12.203 256 HA PHE 28 HA PHE 28 -2.303 6.652 11.213 257 HB2 PHE 28 1HB PHE 28 -3.425 9.255 10.368 258 HB3 PHE 28 2HB PHE 28 -3.057 8.180 9.015 259 HD1 PHE 28 HD1 PHE 28 -4.984 8.425 12.209 260 HD2 PHE 28 HD2 PHE 28 -4.415 6.331 8.493 261 HE1 PHE 28 HE1 PHE 28 -7.119 7.196 12.576 262 HE2 PHE 28 HE2 PHE 28 -6.536 5.111 8.850 263 HZ PHE 28 HZ PHE 28 -7.900 5.553 10.881 264 H ALA 29 H ALA 29 -0.604 9.546 9.991 265 HA ALA 29 HA ALA 29 0.547 8.328 7.714 266 HB1 ALA 29 3HB ALA 29 1.648 10.590 9.448 267 HB2 ALA 29 1HB ALA 29 2.161 10.196 7.791 268 HB3 ALA 29 2HB ALA 29 0.507 10.775 8.086 269 H ASP 30 H ASP 30 1.603 8.366 11.126 270 HA ASP 30 HA ASP 30 4.184 7.226 10.550 271 HB2 ASP 30 1HB ASP 30 2.541 7.677 13.022 272 HB3 ASP 30 2HB ASP 30 3.913 6.564 13.088 273 H LEU 31 H LEU 31 1.006 5.919 11.494 274 HA LEU 31 HA LEU 31 2.001 3.286 11.959 275 HB2 LEU 31 1HB LEU 31 -0.141 4.204 12.822 276 HB3 LEU 31 2HB LEU 31 -0.807 4.156 11.207 277 HG LEU 31 HG LEU 31 -1.395 2.326 12.968 278 HD11 LEU 31 1HD1 LEU 31 -0.671 1.517 10.137 279 HD12 LEU 31 2HD1 LEU 31 -2.165 2.344 10.631 280 HD13 LEU 31 3HD1 LEU 31 -1.828 0.708 11.215 281 HD21 LEU 31 3HD2 LEU 31 0.961 1.678 13.463 282 HD22 LEU 31 1HD2 LEU 31 1.101 1.046 11.801 283 HD23 LEU 31 2HD2 LEU 31 -0.060 0.327 12.937 284 H LEU 32 H LEU 32 0.147 4.624 9.188 285 HA LEU 32 HA LEU 32 0.445 2.240 7.624 286 HB2 LEU 32 1HB LEU 32 -0.213 5.096 6.924 287 HB3 LEU 32 2HB LEU 32 0.036 3.898 5.676 288 HG LEU 32 HG LEU 32 -2.278 4.065 5.934 289 HD11 LEU 32 1HD1 LEU 32 -3.041 1.895 6.578 290 HD12 LEU 32 2HD1 LEU 32 -1.611 1.613 7.592 291 HD13 LEU 32 3HD1 LEU 32 -1.451 1.711 5.821 292 HD21 LEU 32 3HD2 LEU 32 -2.262 5.232 8.071 293 HD22 LEU 32 1HD2 LEU 32 -1.935 3.697 8.911 294 HD23 LEU 32 2HD2 LEU 32 -3.464 3.934 8.025 295 H LYS 33 H LYS 33 2.741 4.793 8.196 296 HA LYS 33 HA LYS 33 4.337 4.407 5.838 297 HB2 LYS 33 1HB LYS 33 5.226 6.167 6.914 298 HB3 LYS 33 2HB LYS 33 4.653 5.620 8.485 299 HG2 LYS 33 1HG LYS 33 6.592 4.240 8.827 300 HG3 LYS 33 2HG LYS 33 7.119 4.463 7.149 301 HD2 LYS 33 1HD LYS 33 8.457 5.835 8.682 302 HD3 LYS 33 2HD LYS 33 7.548 6.832 7.539 303 HE2 LYS 33 1HE LYS 33 7.492 7.835 9.763 304 HE3 LYS 33 2HE LYS 33 5.870 7.338 9.275 305 HZ1 LYS 33 3HZ LYS 33 6.411 6.800 11.584 306 HZ2 LYS 33 1HZ LYS 33 7.606 5.771 11.085 307 HZ3 LYS 33 2HZ LYS 33 6.029 5.444 10.712 308 H PHE 34 H PHE 34 4.056 2.531 8.859 309 HA PHE 34 HA PHE 34 6.298 0.814 8.149 310 HB2 PHE 34 1HB PHE 34 4.114 0.637 10.230 311 HB3 PHE 34 2HB PHE 34 5.333 -0.617 10.013 312 HD1 PHE 34 HD1 PHE 34 7.787 -0.033 10.281 313 HD2 PHE 34 HD2 PHE 34 4.624 2.641 11.411 314 HE1 PHE 34 HE1 PHE 34 9.395 1.276 11.660 315 HE2 PHE 34 HE2 PHE 34 6.216 3.965 12.787 316 HZ PHE 34 HZ PHE 34 8.612 3.284 12.917 317 H PHE 35 H PHE 35 2.867 0.849 7.400 318 HA PHE 35 HA PHE 35 2.720 -1.937 6.554 319 HB2 PHE 35 1HB PHE 35 1.062 0.546 5.963 320 HB3 PHE 35 2HB PHE 35 0.760 -0.983 5.150 321 HD1 PHE 35 HD1 PHE 35 1.588 -0.335 8.807 322 HD2 PHE 35 HD2 PHE 35 -1.296 -1.715 5.919 323 HE1 PHE 35 HE1 PHE 35 0.110 -1.082 10.641 324 HE2 PHE 35 HE2 PHE 35 -2.781 -2.458 7.769 325 HZ PHE 35 HZ PHE 35 -2.080 -2.151 10.132 326 H ASP 36 H ASP 36 3.697 1.154 5.145 327 HA ASP 36 HA ASP 36 3.838 0.225 2.414 328 HB2 ASP 36 1HB ASP 36 3.951 2.646 3.705 329 HB3 ASP 36 2HB ASP 36 5.657 2.405 3.296 330 H PHE 37 H PHE 37 6.119 0.456 5.109 331 HA PHE 37 HA PHE 37 8.532 -0.095 3.738 332 HB2 PHE 37 1HB PHE 37 8.274 0.776 6.060 333 HB3 PHE 37 2HB PHE 37 7.703 -0.811 6.585 334 HD1 PHE 37 HD1 PHE 37 10.661 0.925 5.065 335 HD2 PHE 37 HD2 PHE 37 9.227 -2.455 7.308 336 HE1 PHE 37 HE1 PHE 37 13.014 0.233 5.518 337 HE2 PHE 37 HE2 PHE 37 11.575 -3.150 7.775 338 HZ PHE 37 HZ PHE 37 13.475 -1.807 6.880 339 H VAL 38 H VAL 38 6.011 -2.361 4.845 340 HA VAL 38 HA VAL 38 7.728 -4.655 4.696 341 HB VAL 38 HB VAL 38 5.929 -5.945 5.211 342 HG11 VAL 38 1HG1 VAL 38 4.355 -4.842 6.597 343 HG12 VAL 38 2HG1 VAL 38 5.872 -3.934 6.718 344 HG13 VAL 38 3HG1 VAL 38 4.543 -3.323 5.708 345 HG21 VAL 38 3HG2 VAL 38 3.594 -5.667 4.401 346 HG22 VAL 38 1HG2 VAL 38 4.122 -4.270 3.435 347 HG23 VAL 38 2HG2 VAL 38 4.758 -5.902 3.090 348 H LYS 39 H LYS 39 6.031 -2.807 2.242 349 HA LYS 39 HA LYS 39 5.638 -4.992 0.503 350 HB2 LYS 39 1HB LYS 39 4.634 -2.589 0.491 351 HB3 LYS 39 2HB LYS 39 5.993 -2.184 -0.562 352 HG2 LYS 39 1HG LYS 39 4.235 -4.569 -1.189 353 HG3 LYS 39 2HG LYS 39 3.660 -2.941 -1.568 354 HD2 LYS 39 1HD LYS 39 5.189 -2.629 -3.269 355 HD3 LYS 39 2HD LYS 39 6.410 -3.667 -2.518 356 HE2 LYS 39 1HE LYS 39 5.023 -5.665 -3.058 357 HE3 LYS 39 2HE LYS 39 3.867 -4.609 -3.895 358 HZ1 LYS 39 3HZ LYS 39 5.547 -4.041 -5.472 359 HZ2 LYS 39 1HZ LYS 39 5.507 -5.691 -5.367 360 HZ3 LYS 39 2HZ LYS 39 6.719 -4.855 -4.636 361 H ASP 40 H ASP 40 8.372 -2.667 0.618 362 HA ASP 40 HA ASP 40 9.640 -3.718 -1.756 363 HB2 ASP 40 1HB ASP 40 10.141 -1.477 -0.695 364 HB3 ASP 40 2HB ASP 40 10.982 -2.336 0.603 365 H THR 41 H THR 41 9.717 -4.558 1.658 366 HA THR 41 HA THR 41 12.005 -6.325 1.444 367 HB THR 41 HB THR 41 9.898 -6.384 3.651 368 HG1 THR 41 HG1 THR 41 10.396 -4.256 3.616 369 HG21 THR 41 1HG2 THR 41 11.818 -8.054 3.613 370 HG22 THR 41 2HG2 THR 41 11.747 -7.023 5.052 371 HG23 THR 41 3HG2 THR 41 12.922 -6.673 3.769 372 H CYS 42 H CYS 42 8.475 -6.692 1.399 373 HA CYS 42 HA CYS 42 8.810 -9.588 0.707 374 HB2 CYS 42 1HB CYS 42 6.625 -8.215 2.312 375 HB3 CYS 42 2HB CYS 42 6.592 -9.904 1.786 376 HG CYS 42 HG CYS 42 8.834 -8.425 3.674 377 HA PRO 43 HA PRO 43 6.644 -7.257 -2.632 378 HB2 PRO 43 1HB PRO 43 7.755 -8.546 -4.777 379 HB3 PRO 43 2HB PRO 43 8.580 -7.201 -3.923 380 HG2 PRO 43 1HG PRO 43 8.937 -10.167 -3.575 381 HG3 PRO 43 2HG PRO 43 10.182 -8.899 -3.820 382 HD2 PRO 43 1HD PRO 43 9.564 -9.845 -1.360 383 HD3 PRO 43 2HD PRO 43 9.969 -8.106 -1.627 384 H TRP 44 H TRP 44 7.103 -10.654 -1.982 385 HA TRP 44 HA TRP 44 4.960 -11.631 -3.651 386 HB2 TRP 44 1HB TRP 44 5.323 -13.641 -2.000 387 HB3 TRP 44 2HB TRP 44 6.555 -13.231 -3.204 388 HD1 TRP 44 HD1 TRP 44 5.860 -12.232 0.492 389 HE1 TRP 44 HE1 TRP 44 8.056 -12.066 1.781 390 HE3 TRP 44 HE3 TRP 44 8.998 -13.278 -3.390 391 HZ2 TRP 44 HZ2 TRP 44 10.830 -12.318 1.186 392 HZ3 TRP 44 HZ3 TRP 44 11.468 -13.290 -2.967 393 HH2 TRP 44 HH2 TRP 44 12.362 -12.809 -0.687 394 H PHE 45 H PHE 45 4.973 -9.980 -0.611 395 HA PHE 45 HA PHE 45 2.842 -11.439 0.621 396 HB2 PHE 45 1HB PHE 45 4.391 -9.949 1.834 397 HB3 PHE 45 2HB PHE 45 3.646 -8.547 1.069 398 HD1 PHE 45 HD1 PHE 45 3.194 -11.262 3.539 399 HD2 PHE 45 HD2 PHE 45 1.438 -7.765 1.748 400 HE1 PHE 45 HE1 PHE 45 1.510 -11.172 5.376 401 HE2 PHE 45 HE2 PHE 45 -0.255 -7.684 3.554 402 HZ PHE 45 HZ PHE 45 -0.227 -9.382 5.383 403 HA PRO 46 HA PRO 46 -0.282 -8.492 -1.080 404 HB2 PRO 46 1HB PRO 46 0.151 -6.838 -3.195 405 HB3 PRO 46 2HB PRO 46 0.495 -6.336 -1.509 406 HG2 PRO 46 1HG PRO 46 2.378 -7.447 -3.562 407 HG3 PRO 46 2HG PRO 46 2.520 -5.952 -2.583 408 HD2 PRO 46 1HD PRO 46 3.740 -8.227 -1.823 409 HD3 PRO 46 2HD PRO 46 2.987 -7.138 -0.617 410 H GLN 47 H GLN 47 2.074 -9.954 -3.256 411 HA GLN 47 HA GLN 47 0.352 -10.427 -5.489 412 HB2 GLN 47 1HB GLN 47 2.792 -11.912 -4.468 413 HB3 GLN 47 2HB GLN 47 2.017 -12.234 -6.022 414 HG2 GLN 47 1HG GLN 47 2.547 -10.018 -6.830 415 HG3 GLN 47 2HG GLN 47 3.134 -9.520 -5.242 416 HE21 GLN 47 2HE2 GLN 47 4.987 -8.939 -6.776 417 HE22 GLN 47 1HE2 GLN 47 6.218 -10.158 -6.963 418 H GLU 48 H GLU 48 0.938 -12.203 -2.473 419 HA GLU 48 HA GLU 48 -0.637 -14.507 -3.271 420 HB2 GLU 48 1HB GLU 48 0.347 -13.445 -0.609 421 HB3 GLU 48 2HB GLU 48 -0.606 -14.921 -0.762 422 HG2 GLU 48 1HG GLU 48 1.570 -15.033 -2.657 423 HG3 GLU 48 2HG GLU 48 2.217 -14.598 -1.067 424 H GLY 49 H GLY 49 -1.407 -11.310 -2.247 425 HA2 GLY 49 1HA GLY 49 -3.415 -10.272 -1.934 426 HA3 GLY 49 2HA GLY 49 -4.089 -11.601 -2.865 427 H THR 50 H THR 50 -2.645 -12.284 0.239 428 HA THR 50 HA THR 50 -5.373 -12.579 1.426 429 HB THR 50 HB THR 50 -3.127 -14.635 1.515 430 HG1 THR 50 HG1 THR 50 -4.158 -14.513 -0.541 431 HG21 THR 50 1HG2 THR 50 -5.973 -14.628 2.589 432 HG22 THR 50 2HG2 THR 50 -4.460 -14.826 3.513 433 HG23 THR 50 3HG2 THR 50 -5.003 -16.103 2.402 434 H ILE 51 H ILE 51 -5.483 -12.060 3.585 435 HA ILE 51 HA ILE 51 -2.869 -11.336 4.879 436 HB ILE 51 HB ILE 51 -5.609 -10.184 5.447 437 HG12 ILE 51 1HG1 ILE 51 -4.844 -9.448 3.255 438 HG13 ILE 51 2HG1 ILE 51 -4.907 -8.178 4.443 439 HG21 ILE 51 1HG2 ILE 51 -4.167 -10.137 7.441 440 HG22 ILE 51 2HG2 ILE 51 -2.819 -9.455 6.504 441 HG23 ILE 51 3HG2 ILE 51 -4.291 -8.493 6.790 442 HD11 ILE 51 3HD1 ILE 51 -3.017 -7.986 2.932 443 HD12 ILE 51 1HD1 ILE 51 -2.544 -8.094 4.634 444 HD13 ILE 51 2HD1 ILE 51 -2.374 -9.513 3.567 445 H ASP 52 H ASP 52 -2.351 -12.708 6.336 446 HA ASP 52 HA ASP 52 -4.257 -13.514 8.393 447 HB2 ASP 52 1HB ASP 52 -3.919 -15.937 8.130 448 HB3 ASP 52 2HB ASP 52 -4.722 -15.237 6.718 449 H ILE 53 H ILE 53 -3.021 -14.894 10.087 450 HA ILE 53 HA ILE 53 -0.713 -13.339 10.713 451 HB ILE 53 HB ILE 53 -2.180 -14.254 12.456 452 HG12 ILE 53 1HG1 ILE 53 -0.460 -15.112 14.031 453 HG13 ILE 53 2HG1 ILE 53 0.671 -15.234 12.685 454 HG21 ILE 53 1HG2 ILE 53 -1.059 -17.004 11.862 455 HG22 ILE 53 2HG2 ILE 53 -2.211 -16.570 13.141 456 HG23 ILE 53 3HG2 ILE 53 -2.703 -16.456 11.442 457 HD11 ILE 53 3HD1 ILE 53 0.954 -13.177 14.099 458 HD12 ILE 53 1HD1 ILE 53 0.676 -12.819 12.384 459 HD13 ILE 53 2HD1 ILE 53 -0.648 -12.630 13.559 460 H LYS 54 H LYS 54 -1.069 -16.610 9.359 461 HA LYS 54 HA LYS 54 1.635 -17.374 9.809 462 HB2 LYS 54 1HB LYS 54 1.315 -19.103 8.087 463 HB3 LYS 54 2HB LYS 54 0.021 -19.065 9.285 464 HG2 LYS 54 1HG LYS 54 -1.440 -17.910 7.717 465 HG3 LYS 54 2HG LYS 54 -0.153 -17.898 6.500 466 HD2 LYS 54 1HD LYS 54 -0.181 -20.368 6.465 467 HD3 LYS 54 2HD LYS 54 -1.497 -20.354 7.666 468 HE2 LYS 54 1HE LYS 54 -2.882 -18.996 6.105 469 HE3 LYS 54 2HE LYS 54 -1.589 -19.068 4.901 470 HZ1 LYS 54 3HZ LYS 54 -3.086 -21.401 5.947 471 HZ2 LYS 54 1HZ LYS 54 -1.892 -21.467 4.809 472 HZ3 LYS 54 2HZ LYS 54 -3.312 -20.697 4.475 473 H ARG 55 H ARG 55 0.224 -15.469 7.127 474 HA ARG 55 HA ARG 55 2.789 -15.441 5.684 475 HB2 ARG 55 1HB ARG 55 0.292 -13.729 5.467 476 HB3 ARG 55 2HB ARG 55 1.666 -13.641 4.355 477 HG2 ARG 55 1HG ARG 55 1.243 -15.822 3.491 478 HG3 ARG 55 2HG ARG 55 0.158 -16.220 4.831 479 HD2 ARG 55 1HD ARG 55 -1.233 -14.194 4.006 480 HD3 ARG 55 2HD ARG 55 -0.353 -14.416 2.486 481 HE ARG 55 HE ARG 55 -2.407 -16.147 3.684 482 HH11 ARG 55 1HH1 ARG 55 0.179 -16.027 1.295 483 HH12 ARG 55 2HH1 ARG 55 -0.531 -17.259 0.291 484 HH21 ARG 55 1HH2 ARG 55 -3.276 -17.708 2.345 485 HH22 ARG 55 2HH2 ARG 55 -2.440 -18.205 0.893 486 H TRP 56 H TRP 56 1.093 -13.387 8.054 487 HA TRP 56 HA TRP 56 2.865 -11.165 7.822 488 HB2 TRP 56 1HB TRP 56 0.611 -11.219 8.926 489 HB3 TRP 56 2HB TRP 56 1.366 -12.030 10.305 490 HD1 TRP 56 HD1 TRP 56 2.259 -10.434 12.121 491 HE1 TRP 56 HE1 TRP 56 2.864 -7.970 12.352 492 HE3 TRP 56 HE3 TRP 56 1.624 -9.112 7.226 493 HZ2 TRP 56 HZ2 TRP 56 3.075 -5.716 10.623 494 HZ3 TRP 56 HZ3 TRP 56 2.081 -6.743 6.556 495 HH2 TRP 56 HH2 TRP 56 2.782 -5.061 8.259 496 H ARG 57 H ARG 57 3.209 -14.228 9.592 497 HA ARG 57 HA ARG 57 5.324 -13.428 11.338 498 HB2 ARG 57 1HB ARG 57 5.331 -16.126 10.047 499 HB3 ARG 57 2HB ARG 57 5.843 -15.646 11.677 500 HG2 ARG 57 1HG ARG 57 3.344 -14.906 11.850 501 HG3 ARG 57 2HG ARG 57 3.172 -16.086 10.540 502 HD2 ARG 57 1HD ARG 57 4.218 -16.519 13.273 503 HD3 ARG 57 2HD ARG 57 2.714 -17.054 12.522 504 HE ARG 57 HE ARG 57 4.933 -18.011 11.006 505 HH11 ARG 57 1HH1 ARG 57 3.325 -18.666 14.082 506 HH12 ARG 57 2HH1 ARG 57 3.891 -20.314 14.131 507 HH21 ARG 57 1HH2 ARG 57 5.614 -20.120 11.137 508 HH22 ARG 57 2HH2 ARG 57 5.159 -21.122 12.488 509 H ARG 58 H ARG 58 5.297 -14.848 8.139 510 HA ARG 58 HA ARG 58 8.073 -14.856 7.594 511 HB2 ARG 58 1HB ARG 58 5.757 -14.435 5.684 512 HB3 ARG 58 2HB ARG 58 7.425 -14.659 5.175 513 HG2 ARG 58 1HG ARG 58 7.473 -16.873 6.224 514 HG3 ARG 58 2HG ARG 58 5.777 -16.678 6.728 515 HD2 ARG 58 1HD ARG 58 5.047 -16.530 4.422 516 HD3 ARG 58 2HD ARG 58 6.724 -16.456 3.848 517 HE ARG 58 HE ARG 58 6.439 -18.866 5.276 518 HH11 ARG 58 1HH1 ARG 58 5.218 -17.446 2.275 519 HH12 ARG 58 2HH1 ARG 58 5.030 -18.997 1.507 520 HH21 ARG 58 1HH2 ARG 58 6.186 -20.814 4.218 521 HH22 ARG 58 2HH2 ARG 58 5.580 -20.863 2.586 522 H VAL 59 H VAL 59 5.874 -12.075 7.530 523 HA VAL 59 HA VAL 59 7.654 -10.380 6.023 524 HB VAL 59 HB VAL 59 5.554 -9.603 8.103 525 HG11 VAL 59 1HG1 VAL 59 7.096 -7.777 7.660 526 HG12 VAL 59 2HG1 VAL 59 6.886 -7.985 5.909 527 HG13 VAL 59 3HG1 VAL 59 5.523 -7.437 6.922 528 HG21 VAL 59 3HG2 VAL 59 4.102 -9.210 6.138 529 HG22 VAL 59 1HG2 VAL 59 5.365 -9.901 5.091 530 HG23 VAL 59 2HG2 VAL 59 4.565 -10.908 6.315 531 H GLY 60 H GLY 60 7.197 -11.089 9.479 532 HA2 GLY 60 1HA GLY 60 9.157 -9.171 10.371 533 HA3 GLY 60 2HA GLY 60 8.471 -10.518 11.295 534 H ASP 61 H ASP 61 9.175 -12.612 9.505 535 HA ASP 61 HA ASP 61 11.843 -13.201 10.323 536 HB2 ASP 61 1HB ASP 61 10.248 -14.342 7.985 537 HB3 ASP 61 2HB ASP 61 11.698 -15.067 8.685 538 H CYS 62 H CYS 62 10.453 -11.814 7.349 539 HA CYS 62 HA CYS 62 12.868 -11.710 5.824 540 HB2 CYS 62 1HB CYS 62 10.182 -11.064 5.462 541 HB3 CYS 62 2HB CYS 62 10.991 -9.501 5.371 542 HG CYS 62 HG CYS 62 10.654 -10.207 2.980 543 H PHE 63 H PHE 63 11.351 -9.324 8.070 544 HA PHE 63 HA PHE 63 13.324 -7.279 7.596 545 HB2 PHE 63 1HB PHE 63 11.786 -7.873 10.153 546 HB3 PHE 63 2HB PHE 63 12.695 -6.403 9.827 547 HD1 PHE 63 HD1 PHE 63 11.841 -5.921 6.933 548 HD2 PHE 63 HD2 PHE 63 9.615 -6.995 10.460 549 HE1 PHE 63 HE1 PHE 63 9.816 -4.849 5.977 550 HE2 PHE 63 HE2 PHE 63 7.592 -5.904 9.516 551 HZ PHE 63 HZ PHE 63 7.691 -4.832 7.270 552 H GLN 64 H GLN 64 13.132 -10.072 9.803 553 HA GLN 64 HA GLN 64 15.414 -9.370 11.362 554 HB2 GLN 64 1HB GLN 64 13.663 -11.057 11.959 555 HB3 GLN 64 2HB GLN 64 14.342 -12.132 10.730 556 HG2 GLN 64 1HG GLN 64 15.143 -12.740 12.966 557 HG3 GLN 64 2HG GLN 64 16.479 -12.211 11.931 558 HE21 GLN 64 2HE2 GLN 64 17.897 -10.971 12.934 559 HE22 GLN 64 1HE2 GLN 64 17.540 -9.849 14.226 560 H ASP 65 H ASP 65 15.052 -11.311 8.381 561 HA ASP 65 HA ASP 65 17.726 -12.277 8.280 562 HB2 ASP 65 1HB ASP 65 15.835 -12.982 6.819 563 HB3 ASP 65 2HB ASP 65 15.931 -11.439 5.975 564 H TYR 66 H TYR 66 16.221 -9.369 6.851 565 HA TYR 66 HA TYR 66 18.679 -8.446 5.715 566 HB2 TYR 66 1HB TYR 66 16.155 -7.800 5.298 567 HB3 TYR 66 2HB TYR 66 16.473 -6.555 6.495 568 HD1 TYR 66 HD2 TYR 66 19.600 -6.899 4.879 569 HD2 TYR 66 HD1 TYR 66 15.599 -5.474 4.080 570 HE1 TYR 66 HE2 TYR 66 20.461 -5.496 3.035 571 HE2 TYR 66 HE1 TYR 66 16.499 -4.054 2.232 572 HH TYR 66 HH TYR 66 19.983 -4.040 1.389 573 H PHE 67 H PHE 67 17.144 -8.026 8.869 574 HA PHE 67 HA PHE 67 18.931 -5.917 9.775 575 HB2 PHE 67 1HB PHE 67 16.726 -6.345 10.775 576 HB3 PHE 67 2HB PHE 67 17.284 -7.920 11.353 577 HD1 PHE 67 HD1 PHE 67 17.487 -4.265 11.841 578 HD2 PHE 67 HD2 PHE 67 18.824 -8.095 13.256 579 HE1 PHE 67 HE1 PHE 67 18.278 -3.200 13.932 580 HE2 PHE 67 HE2 PHE 67 19.652 -7.033 15.351 581 HZ PHE 67 HZ PHE 67 19.385 -4.577 15.692 582 H ASN 68 H ASN 68 19.045 -9.519 10.014 583 HA ASN 68 HA ASN 68 21.301 -9.410 11.838 584 HB2 ASN 68 1HB ASN 68 21.010 -11.616 11.995 585 HB3 ASN 68 2HB ASN 68 19.561 -11.404 11.020 586 HD21 ASN 68 2HD2 ASN 68 19.588 -12.062 8.857 587 HD22 ASN 68 1HD2 ASN 68 20.866 -13.067 8.224 588 H THR 69 H THR 69 20.877 -9.485 8.371 589 HA THR 69 HA THR 69 23.588 -9.993 7.654 590 HB THR 69 HB THR 69 21.482 -8.374 6.126 591 HG1 THR 69 HG1 THR 69 20.691 -10.438 6.558 592 HG21 THR 69 1HG2 THR 69 23.688 -8.109 5.113 593 HG22 THR 69 2HG2 THR 69 22.720 -9.226 4.127 594 HG23 THR 69 3HG2 THR 69 23.976 -9.863 5.211 595 H PHE 70 H PHE 70 21.881 -6.867 8.250 596 HA PHE 70 HA PHE 70 24.550 -5.550 7.973 597 HB2 PHE 70 1HB PHE 70 22.421 -5.346 6.285 598 HB3 PHE 70 2HB PHE 70 22.185 -3.957 7.344 599 HD1 PHE 70 HD1 PHE 70 24.607 -5.638 5.100 600 HD2 PHE 70 HD2 PHE 70 23.565 -2.009 7.148 601 HE1 PHE 70 HE1 PHE 70 26.373 -4.416 3.818 602 HE2 PHE 70 HE2 PHE 70 25.320 -0.771 5.884 603 HZ PHE 70 HZ PHE 70 26.732 -1.975 4.212 604 H GLY 71 H GLY 71 22.332 -6.128 10.364 605 HA2 GLY 71 1HA GLY 71 22.217 -5.170 12.458 606 HA3 GLY 71 2HA GLY 71 23.432 -3.988 11.955 607 HA PRO 72 HA PRO 72 19.346 -1.860 12.485 608 HB2 PRO 72 1HB PRO 72 20.185 0.174 14.091 609 HB3 PRO 72 2HB PRO 72 19.808 -1.457 14.738 610 HG2 PRO 72 1HG PRO 72 22.482 -0.314 13.955 611 HG3 PRO 72 2HG PRO 72 22.000 -1.095 15.497 612 HD2 PRO 72 1HD PRO 72 23.256 -2.487 13.563 613 HD3 PRO 72 2HD PRO 72 21.933 -3.237 14.525 614 H GLU 73 H GLU 73 22.437 -1.073 11.244 615 HA GLU 73 HA GLU 73 22.040 1.597 10.335 616 HB2 GLU 73 1HB GLU 73 23.633 -0.688 9.104 617 HB3 GLU 73 2HB GLU 73 23.818 1.020 8.700 618 HG2 GLU 73 1HG GLU 73 24.347 -0.187 11.444 619 HG3 GLU 73 2HG GLU 73 25.582 0.148 10.223 620 H LYS 74 H LYS 74 20.826 -1.508 9.245 621 HA LYS 74 HA LYS 74 19.842 -0.193 6.768 622 HB2 LYS 74 1HB LYS 74 21.253 -2.213 6.545 623 HB3 LYS 74 2HB LYS 74 19.994 -3.138 7.367 624 HG2 LYS 74 1HG LYS 74 19.655 -3.567 5.113 625 HG3 LYS 74 2HG LYS 74 18.420 -2.374 5.480 626 HD2 LYS 74 1HD LYS 74 21.129 -1.639 4.266 627 HD3 LYS 74 2HD LYS 74 19.753 -2.122 3.286 628 HE2 LYS 74 1HE LYS 74 20.006 0.374 4.980 629 HE3 LYS 74 2HE LYS 74 19.823 0.260 3.231 630 HZ1 LYS 74 3HZ LYS 74 17.760 -0.387 5.264 631 HZ2 LYS 74 1HZ LYS 74 17.568 -0.650 3.643 632 HZ3 LYS 74 2HZ LYS 74 17.748 0.887 4.219 633 H VAL 75 H VAL 75 18.658 -2.205 9.502 634 HA VAL 75 HA VAL 75 15.916 -1.349 8.627 635 HB VAL 75 HB VAL 75 16.716 -3.970 9.979 636 HG11 VAL 75 1HG1 VAL 75 14.494 -3.231 10.740 637 HG12 VAL 75 2HG1 VAL 75 13.977 -2.997 9.052 638 HG13 VAL 75 3HG1 VAL 75 14.344 -4.627 9.660 639 HG21 VAL 75 3HG2 VAL 75 17.348 -4.051 7.650 640 HG22 VAL 75 1HG2 VAL 75 15.875 -5.011 7.864 641 HG23 VAL 75 2HG2 VAL 75 15.773 -3.386 7.148 642 HA PRO 76 HA PRO 76 16.255 0.310 12.705 643 HB2 PRO 76 1HB PRO 76 13.801 1.402 13.059 644 HB3 PRO 76 2HB PRO 76 14.989 2.116 11.951 645 HG2 PRO 76 1HG PRO 76 12.679 0.336 11.336 646 HG3 PRO 76 2HG PRO 76 13.171 1.856 10.537 647 HD2 PRO 76 1HD PRO 76 13.796 -0.614 9.548 648 HD3 PRO 76 2HD PRO 76 14.873 0.812 9.342 649 H VAL 77 H VAL 77 15.752 -0.355 14.815 650 HA VAL 77 HA VAL 77 14.441 -2.880 15.086 651 HB VAL 77 HB VAL 77 14.695 -2.531 17.537 652 HG11 VAL 77 1HG1 VAL 77 17.148 -2.526 17.541 653 HG12 VAL 77 2HG1 VAL 77 16.545 -3.447 16.149 654 HG13 VAL 77 3HG1 VAL 77 17.182 -1.802 15.917 655 HG21 VAL 77 3HG2 VAL 77 14.317 -0.076 17.610 656 HG22 VAL 77 1HG2 VAL 77 15.848 -0.528 18.377 657 HG23 VAL 77 2HG2 VAL 77 15.856 0.184 16.753 658 H THR 78 H THR 78 13.180 0.380 15.105 659 HA THR 78 HA THR 78 10.804 -0.260 16.618 660 HB THR 78 HB THR 78 11.520 2.081 16.304 661 HG1 THR 78 HG1 THR 78 9.470 2.858 16.107 662 HG21 THR 78 1HG2 THR 78 10.733 1.655 13.427 663 HG22 THR 78 2HG2 THR 78 12.272 2.263 14.075 664 HG23 THR 78 3HG2 THR 78 10.816 3.251 14.190 665 H ALA 79 H ALA 79 11.804 -0.885 13.316 666 HA ALA 79 HA ALA 79 9.161 -1.120 12.230 667 HB1 ALA 79 3HB ALA 79 10.252 -2.550 10.529 668 HB2 ALA 79 1HB ALA 79 11.134 -1.035 10.823 669 HB3 ALA 79 2HB ALA 79 11.735 -2.558 11.516 670 H PHE 80 H PHE 80 11.226 -3.376 14.082 671 HA PHE 80 HA PHE 80 9.432 -5.628 13.795 672 HB2 PHE 80 1HB PHE 80 11.502 -5.002 15.933 673 HB3 PHE 80 2HB PHE 80 10.714 -6.565 15.695 674 HD1 PHE 80 HD1 PHE 80 13.172 -4.176 14.326 675 HD2 PHE 80 HD2 PHE 80 11.350 -8.040 13.881 676 HE1 PHE 80 HE1 PHE 80 14.965 -4.814 12.740 677 HE2 PHE 80 HE2 PHE 80 13.127 -8.699 12.288 678 HZ PHE 80 HZ PHE 80 14.933 -7.091 11.701 679 H SER 81 H SER 81 9.714 -2.918 16.011 680 HA SER 81 HA SER 81 8.017 -4.001 18.082 681 HB2 SER 81 1HB SER 81 9.613 -2.124 18.452 682 HB3 SER 81 2HB SER 81 8.623 -1.092 17.398 683 HG SER 81 HG SER 81 8.176 -0.877 19.678 684 H TYR 82 H TYR 82 7.522 -1.740 15.355 685 HA TYR 82 HA TYR 82 4.695 -1.462 15.729 686 HB2 TYR 82 1HB TYR 82 6.695 -0.926 13.579 687 HB3 TYR 82 2HB TYR 82 5.004 -1.084 13.079 688 HD1 TYR 82 HD1 TYR 82 7.328 0.877 15.267 689 HD2 TYR 82 HD2 TYR 82 3.369 0.539 13.606 690 HE1 TYR 82 HE1 TYR 82 6.813 3.186 16.038 691 HE2 TYR 82 HE2 TYR 82 2.861 2.871 14.358 692 HH TYR 82 HH TYR 82 5.244 4.851 16.154 693 H TRP 83 H TRP 83 6.701 -3.733 13.847 694 HA TRP 83 HA TRP 83 4.617 -4.996 12.444 695 HB2 TRP 83 1HB TRP 83 6.955 -5.393 11.922 696 HB3 TRP 83 2HB TRP 83 7.261 -5.997 13.539 697 HD1 TRP 83 HD1 TRP 83 5.537 -7.127 10.294 698 HE1 TRP 83 HE1 TRP 83 5.294 -9.664 10.294 699 HE3 TRP 83 HE3 TRP 83 7.227 -7.984 15.039 700 HZ2 TRP 83 HZ2 TRP 83 5.801 -11.782 12.115 701 HZ3 TRP 83 HZ3 TRP 83 7.347 -10.342 15.864 702 HH2 TRP 83 HH2 TRP 83 6.636 -12.228 14.392 703 H ASN 84 H ASN 84 5.858 -5.566 15.742 704 HA ASN 84 HA ASN 84 4.340 -7.937 16.250 705 HB2 ASN 84 1HB ASN 84 5.790 -5.912 17.898 706 HB3 ASN 84 2HB ASN 84 4.590 -6.918 18.718 707 HD21 ASN 84 2HD2 ASN 84 7.752 -6.765 17.465 708 HD22 ASN 84 1HD2 ASN 84 8.185 -8.431 17.775 709 H LEU 85 H LEU 85 3.488 -4.506 16.372 710 HA LEU 85 HA LEU 85 1.148 -4.821 18.027 711 HB2 LEU 85 1HB LEU 85 2.416 -2.710 17.608 712 HB3 LEU 85 2HB LEU 85 1.799 -2.684 15.963 713 HG LEU 85 HG LEU 85 -0.212 -2.759 18.175 714 HD11 LEU 85 1HD1 LEU 85 1.443 -0.305 17.439 715 HD12 LEU 85 2HD1 LEU 85 1.435 -1.145 19.009 716 HD13 LEU 85 3HD1 LEU 85 -0.021 -0.295 18.452 717 HD21 LEU 85 3HD2 LEU 85 -0.955 -2.709 15.820 718 HD22 LEU 85 1HD2 LEU 85 -0.009 -1.231 15.535 719 HD23 LEU 85 2HD2 LEU 85 -1.401 -1.205 16.640 720 H ILE 86 H ILE 86 1.735 -4.921 14.495 721 HA ILE 86 HA ILE 86 -1.118 -5.232 13.960 722 HB ILE 86 HB ILE 86 1.248 -5.731 12.132 723 HG12 ILE 86 1HG1 ILE 86 -0.317 -3.432 11.442 724 HG13 ILE 86 2HG1 ILE 86 0.070 -3.303 13.155 725 HG21 ILE 86 1HG2 ILE 86 -0.514 -5.431 10.332 726 HG22 ILE 86 2HG2 ILE 86 -0.705 -6.906 11.298 727 HG23 ILE 86 3HG2 ILE 86 -1.756 -5.509 11.619 728 HD11 ILE 86 3HD1 ILE 86 1.821 -2.218 12.017 729 HD12 ILE 86 1HD1 ILE 86 2.474 -3.795 12.509 730 HD13 ILE 86 2HD1 ILE 86 1.970 -3.533 10.825 731 H LYS 87 H LYS 87 1.677 -7.308 14.531 732 HA LYS 87 HA LYS 87 0.609 -9.744 13.552 733 HB2 LYS 87 1HB LYS 87 2.805 -10.030 14.070 734 HB3 LYS 87 2HB LYS 87 2.744 -8.859 15.369 735 HG2 LYS 87 1HG LYS 87 1.746 -10.548 16.865 736 HG3 LYS 87 2HG LYS 87 1.883 -11.744 15.563 737 HD2 LYS 87 1HD LYS 87 4.277 -11.555 15.564 738 HD3 LYS 87 2HD LYS 87 4.207 -10.119 16.596 739 HE2 LYS 87 1HE LYS 87 3.169 -11.534 18.396 740 HE3 LYS 87 2HE LYS 87 3.513 -12.962 17.391 741 HZ1 LYS 87 3HZ LYS 87 5.279 -12.488 19.014 742 HZ2 LYS 87 1HZ LYS 87 5.538 -11.001 18.337 743 HZ3 LYS 87 2HZ LYS 87 5.855 -12.372 17.471 744 H GLU 88 H GLU 88 0.298 -8.260 16.842 745 HA GLU 88 HA GLU 88 -1.322 -10.471 17.764 746 HB2 GLU 88 1HB GLU 88 -1.829 -9.059 19.688 747 HB3 GLU 88 2HB GLU 88 -0.098 -9.047 19.320 748 HG2 GLU 88 1HG GLU 88 -0.373 -6.879 18.180 749 HG3 GLU 88 2HG GLU 88 -2.081 -6.859 18.638 750 H LEU 89 H LEU 89 -2.043 -7.505 15.988 751 HA LEU 89 HA LEU 89 -4.866 -7.568 16.519 752 HB2 LEU 89 1HB LEU 89 -3.170 -6.237 14.430 753 HB3 LEU 89 2HB LEU 89 -4.922 -6.172 14.361 754 HG LEU 89 HG LEU 89 -3.299 -5.194 16.731 755 HD11 LEU 89 1HD1 LEU 89 -4.532 -3.612 14.440 756 HD12 LEU 89 2HD1 LEU 89 -2.794 -3.886 14.706 757 HD13 LEU 89 3HD1 LEU 89 -3.728 -2.932 15.874 758 HD21 LEU 89 3HD2 LEU 89 -5.608 -5.743 17.346 759 HD22 LEU 89 1HD2 LEU 89 -6.227 -4.803 15.970 760 HD23 LEU 89 2HD2 LEU 89 -5.400 -3.984 17.313 761 H ILE 90 H ILE 90 -2.857 -8.940 13.880 762 HA ILE 90 HA ILE 90 -5.215 -9.966 12.497 763 HB ILE 90 HB ILE 90 -2.318 -10.935 12.255 764 HG12 ILE 90 1HG1 ILE 90 -3.788 -9.022 10.400 765 HG13 ILE 90 2HG1 ILE 90 -2.722 -8.469 11.692 766 HG21 ILE 90 1HG2 ILE 90 -3.968 -12.565 11.363 767 HG22 ILE 90 2HG2 ILE 90 -4.764 -11.281 10.423 768 HG23 ILE 90 3HG2 ILE 90 -3.113 -11.796 10.021 769 HD11 ILE 90 3HD1 ILE 90 -1.902 -10.184 9.297 770 HD12 ILE 90 1HD1 ILE 90 -1.455 -8.494 9.615 771 HD13 ILE 90 2HD1 ILE 90 -0.836 -9.786 10.666 772 H ASP 91 H ASP 91 -2.820 -11.248 14.828 773 HA ASP 91 HA ASP 91 -3.615 -13.973 14.743 774 HB2 ASP 91 1HB ASP 91 -1.571 -12.996 15.852 775 HB3 ASP 91 2HB ASP 91 -2.617 -12.402 17.151 776 H LYS 92 H LYS 92 -4.924 -11.198 16.530 777 HA LYS 92 HA LYS 92 -7.001 -13.009 17.693 778 HB2 LYS 92 1HB LYS 92 -6.120 -10.270 18.598 779 HB3 LYS 92 2HB LYS 92 -7.308 -11.328 19.383 780 HG2 LYS 92 1HG LYS 92 -5.429 -13.084 19.448 781 HG3 LYS 92 2HG LYS 92 -4.330 -11.736 19.088 782 HD2 LYS 92 1HD LYS 92 -5.261 -10.543 21.035 783 HD3 LYS 92 2HD LYS 92 -6.242 -11.986 21.386 784 HE2 LYS 92 1HE LYS 92 -4.186 -13.340 21.584 785 HE3 LYS 92 2HE LYS 92 -3.202 -11.913 21.202 786 HZ1 LYS 92 3HZ LYS 92 -4.959 -12.185 23.571 787 HZ2 LYS 92 1HZ LYS 92 -4.027 -10.870 23.215 788 HZ3 LYS 92 2HZ LYS 92 -3.314 -12.314 23.580 789 H LYS 93 H LYS 93 -7.066 -11.935 14.912 790 HA LYS 93 HA LYS 93 -8.797 -9.699 14.699 791 HB2 LYS 93 1HB LYS 93 -9.248 -10.524 12.449 792 HB3 LYS 93 2HB LYS 93 -7.532 -10.695 12.835 793 HG2 LYS 93 1HG LYS 93 -7.989 -13.135 13.412 794 HG3 LYS 93 2HG LYS 93 -9.620 -12.922 12.770 795 HD2 LYS 93 1HD LYS 93 -7.076 -12.409 11.193 796 HD3 LYS 93 2HD LYS 93 -7.961 -13.944 11.173 797 HE2 LYS 93 1HE LYS 93 -9.133 -11.260 10.401 798 HE3 LYS 93 2HE LYS 93 -8.490 -12.449 9.254 799 HZ1 LYS 93 3HZ LYS 93 -10.889 -12.644 9.453 800 HZ2 LYS 93 1HZ LYS 93 -10.785 -12.915 11.077 801 HZ3 LYS 93 2HZ LYS 93 -10.173 -14.019 10.015 802 H GLU 94 H GLU 94 -9.488 -13.003 15.579 803 HA GLU 94 HA GLU 94 -12.198 -13.151 14.782 804 HB2 GLU 94 1HB GLU 94 -10.639 -14.985 15.464 805 HB3 GLU 94 2HB GLU 94 -10.834 -14.489 17.146 806 HG2 GLU 94 1HG GLU 94 -13.028 -15.217 17.244 807 HG3 GLU 94 2HG GLU 94 -13.245 -15.119 15.487 808 H VAL 95 H VAL 95 -10.709 -11.861 17.725 809 HA VAL 95 HA VAL 95 -13.422 -11.183 18.758 810 HB VAL 95 HB VAL 95 -12.306 -10.855 20.954 811 HG11 VAL 95 1HG1 VAL 95 -13.262 -13.067 20.313 812 HG12 VAL 95 2HG1 VAL 95 -11.668 -13.569 19.706 813 HG13 VAL 95 3HG1 VAL 95 -11.894 -13.219 21.435 814 HG21 VAL 95 3HG2 VAL 95 -9.786 -11.902 19.571 815 HG22 VAL 95 1HG2 VAL 95 -10.040 -10.228 20.122 816 HG23 VAL 95 2HG2 VAL 95 -9.975 -11.550 21.302 817 H ASN 96 H ASN 96 -11.322 -9.810 16.781 818 HA ASN 96 HA ASN 96 -11.801 -7.061 17.891 819 HB2 ASN 96 1HB ASN 96 -9.340 -8.199 16.545 820 HB3 ASN 96 2HB ASN 96 -9.703 -6.468 16.510 821 HD21 ASN 96 2HD2 ASN 96 -8.526 -9.084 18.392 822 HD22 ASN 96 1HD2 ASN 96 -8.154 -8.130 19.817 823 HA PRO 97 HA PRO 97 -13.741 -7.818 13.783 824 HB2 PRO 97 1HB PRO 97 -16.027 -6.349 14.130 825 HB3 PRO 97 2HB PRO 97 -15.843 -8.033 14.721 826 HG2 PRO 97 1HG PRO 97 -15.438 -5.460 16.235 827 HG3 PRO 97 2HG PRO 97 -16.446 -6.879 16.673 828 HD2 PRO 97 1HD PRO 97 -13.976 -6.593 17.681 829 HD3 PRO 97 2HD PRO 97 -14.560 -8.212 17.150 830 H GLN 98 H GLN 98 -12.921 -4.871 15.497 831 HA GLN 98 HA GLN 98 -13.462 -2.984 13.409 832 HB2 GLN 98 1HB GLN 98 -11.245 -2.967 15.515 833 HB3 GLN 98 2HB GLN 98 -11.714 -1.599 14.512 834 HG2 GLN 98 1HG GLN 98 -12.694 -1.171 16.572 835 HG3 GLN 98 2HG GLN 98 -14.026 -1.768 15.575 836 HE21 GLN 98 2HE2 GLN 98 -15.010 -2.108 17.749 837 HE22 GLN 98 1HE2 GLN 98 -14.674 -3.614 18.570 838 H VAL 99 H VAL 99 -10.599 -4.949 14.287 839 HA VAL 99 HA VAL 99 -9.229 -3.919 11.930 840 HB VAL 99 HB VAL 99 -8.103 -4.414 14.202 841 HG11 VAL 99 1HG1 VAL 99 -7.209 -6.623 14.557 842 HG12 VAL 99 2HG1 VAL 99 -8.956 -6.786 14.356 843 HG13 VAL 99 3HG1 VAL 99 -7.870 -7.214 13.020 844 HG21 VAL 99 3HG2 VAL 99 -6.947 -3.736 12.113 845 HG22 VAL 99 1HG2 VAL 99 -5.977 -4.851 13.089 846 HG23 VAL 99 2HG2 VAL 99 -6.817 -5.448 11.644 847 H MET 100 H MET 100 -11.052 -6.808 12.834 848 HA MET 100 HA MET 100 -10.097 -8.524 10.791 849 HB2 MET 100 1HB MET 100 -11.576 -9.171 12.653 850 HB3 MET 100 2HB MET 100 -12.909 -8.297 11.906 851 HG2 MET 100 1HG MET 100 -11.674 -10.219 10.082 852 HG3 MET 100 2HG MET 100 -12.297 -10.974 11.564 853 HE1 MET 100 3HE MET 100 -13.384 -11.237 8.331 854 HE2 MET 100 1HE MET 100 -14.778 -10.187 7.994 855 HE3 MET 100 2HE MET 100 -13.149 -9.487 8.102 856 H ALA 101 H ALA 101 -12.626 -5.985 10.694 857 HA ALA 101 HA ALA 101 -13.380 -6.530 7.976 858 HB1 ALA 101 3HB ALA 101 -14.780 -5.205 9.469 859 HB2 ALA 101 1HB ALA 101 -13.502 -3.980 9.615 860 HB3 ALA 101 2HB ALA 101 -14.316 -4.231 8.053 861 H ALA 102 H ALA 102 -10.677 -4.743 9.431 862 HA ALA 102 HA ALA 102 -9.971 -3.397 6.945 863 HB1 ALA 102 3HB ALA 102 -8.333 -3.809 9.489 864 HB2 ALA 102 1HB ALA 102 -7.979 -2.668 8.177 865 HB3 ALA 102 2HB ALA 102 -9.425 -2.438 9.184 866 H VAL 103 H VAL 103 -9.130 -6.410 8.629 867 HA VAL 103 HA VAL 103 -6.881 -7.197 7.004 868 HB VAL 103 HB VAL 103 -9.062 -8.831 8.436 869 HG11 VAL 103 1HG1 VAL 103 -8.067 -10.187 6.643 870 HG12 VAL 103 2HG1 VAL 103 -6.465 -9.841 7.310 871 HG13 VAL 103 3HG1 VAL 103 -7.616 -10.774 8.251 872 HG21 VAL 103 3HG2 VAL 103 -7.565 -7.441 9.891 873 HG22 VAL 103 1HG2 VAL 103 -7.401 -9.176 10.187 874 HG23 VAL 103 2HG2 VAL 103 -6.169 -8.311 9.237 875 H ALA 104 H ALA 104 -10.426 -7.730 6.705 876 HA ALA 104 HA ALA 104 -10.243 -9.125 4.214 877 HB1 ALA 104 3HB ALA 104 -12.554 -7.510 5.385 878 HB2 ALA 104 1HB ALA 104 -12.667 -8.711 4.075 879 HB3 ALA 104 2HB ALA 104 -12.207 -9.225 5.717 880 H GLN 105 H GLN 105 -10.764 -5.649 4.991 881 HA GLN 105 HA GLN 105 -11.147 -4.831 2.286 882 HB2 GLN 105 1HB GLN 105 -10.206 -3.411 4.775 883 HB3 GLN 105 2HB GLN 105 -10.168 -2.623 3.193 884 HG2 GLN 105 1HG GLN 105 -12.644 -3.347 3.011 885 HG3 GLN 105 2HG GLN 105 -12.558 -3.533 4.761 886 HE21 GLN 105 2HE2 GLN 105 -13.353 -1.804 5.753 887 HE22 GLN 105 1HE2 GLN 105 -13.125 -0.140 5.244 888 H THR 106 H THR 106 -8.154 -5.337 4.172 889 HA THR 106 HA THR 106 -6.452 -4.082 2.241 890 HB THR 106 HB THR 106 -5.729 -6.414 4.062 891 HG1 THR 106 HG1 THR 106 -6.586 -4.711 5.275 892 HG21 THR 106 1HG2 THR 106 -3.475 -5.374 3.980 893 HG22 THR 106 2HG2 THR 106 -4.079 -4.183 2.808 894 HG23 THR 106 3HG2 THR 106 -4.011 -5.907 2.373 895 H GLU 107 H GLU 107 -7.671 -7.467 2.591 896 HA GLU 107 HA GLU 107 -6.275 -8.487 0.319 897 HB2 GLU 107 1HB GLU 107 -8.975 -9.282 1.457 898 HB3 GLU 107 2HB GLU 107 -8.102 -10.177 0.208 899 HG2 GLU 107 1HG GLU 107 -6.212 -10.453 1.770 900 HG3 GLU 107 2HG GLU 107 -7.163 -9.663 3.032 901 H GLU 108 H GLU 108 -9.467 -6.830 0.549 902 HA GLU 108 HA GLU 108 -10.192 -7.205 -2.198 903 HB2 GLU 108 1HB GLU 108 -10.819 -4.940 -0.268 904 HB3 GLU 108 2HB GLU 108 -11.554 -5.101 -1.859 905 HG2 GLU 108 1HG GLU 108 -12.605 -7.202 -1.203 906 HG3 GLU 108 2HG GLU 108 -11.823 -7.117 0.385 907 H ILE 109 H ILE 109 -8.411 -4.587 -0.542 908 HA ILE 109 HA ILE 109 -8.112 -2.962 -2.895 909 HB ILE 109 HB ILE 109 -6.514 -3.039 -0.289 910 HG12 ILE 109 1HG1 ILE 109 -8.534 -0.964 -1.218 911 HG13 ILE 109 2HG1 ILE 109 -9.040 -2.410 -0.353 912 HG21 ILE 109 1HG2 ILE 109 -5.095 -1.996 -2.010 913 HG22 ILE 109 2HG2 ILE 109 -6.447 -0.988 -2.575 914 HG23 ILE 109 3HG2 ILE 109 -5.737 -0.717 -0.969 915 HD11 ILE 109 3HD1 ILE 109 -8.871 -0.662 1.259 916 HD12 ILE 109 1HD1 ILE 109 -7.494 -1.749 1.537 917 HD13 ILE 109 2HD1 ILE 109 -7.252 -0.197 0.697 918 H LEU 110 H LEU 110 -6.114 -5.553 -1.437 919 HA LEU 110 HA LEU 110 -3.854 -5.210 -3.124 920 HB2 LEU 110 1HB LEU 110 -5.001 -7.312 -1.393 921 HB3 LEU 110 2HB LEU 110 -3.969 -7.915 -2.680 922 HG LEU 110 HG LEU 110 -2.072 -6.860 -1.849 923 HD11 LEU 110 1HD1 LEU 110 -3.807 -5.151 -0.046 924 HD12 LEU 110 2HD1 LEU 110 -2.761 -4.606 -1.373 925 HD13 LEU 110 3HD1 LEU 110 -2.047 -5.284 0.098 926 HD21 LEU 110 3HD2 LEU 110 -1.954 -7.615 0.512 927 HD22 LEU 110 1HD2 LEU 110 -2.765 -8.794 -0.530 928 HD23 LEU 110 2HD2 LEU 110 -3.729 -7.749 0.540 929 H LYS 111 H LYS 111 -6.908 -7.007 -3.764 930 HA LYS 111 HA LYS 111 -5.901 -8.141 -6.241 931 HB2 LYS 111 1HB LYS 111 -8.788 -7.462 -5.555 932 HB3 LYS 111 2HB LYS 111 -8.237 -8.619 -6.766 933 HG2 LYS 111 1HG LYS 111 -7.887 -8.888 -3.779 934 HG3 LYS 111 2HG LYS 111 -9.129 -9.691 -4.721 935 HD2 LYS 111 1HD LYS 111 -7.667 -11.224 -5.588 936 HD3 LYS 111 2HD LYS 111 -6.289 -10.109 -5.543 937 HE2 LYS 111 1HE LYS 111 -6.052 -11.932 -3.900 938 HE3 LYS 111 2HE LYS 111 -6.071 -10.323 -3.166 939 HZ1 LYS 111 3HZ LYS 111 -8.367 -10.698 -2.522 940 HZ2 LYS 111 1HZ LYS 111 -7.371 -11.848 -1.884 941 HZ3 LYS 111 2HZ LYS 111 -8.343 -12.218 -3.172 942 H SER 112 H SER 112 -7.399 -5.118 -5.318 943 HA SER 112 HA SER 112 -8.033 -4.338 -8.051 944 HB2 SER 112 1HB SER 112 -9.408 -3.826 -6.022 945 HB3 SER 112 2HB SER 112 -8.126 -2.728 -5.477 946 HG SER 112 HG SER 112 -9.954 -1.816 -6.728 947 H ASN 113 H ASN 113 -5.397 -3.595 -5.778 948 HA ASN 113 HA ASN 113 -4.857 -1.117 -7.212 949 HB2 ASN 113 1HB ASN 113 -3.656 -0.440 -5.390 950 HB3 ASN 113 2HB ASN 113 -4.836 -1.518 -4.653 951 HD21 ASN 113 2HD2 ASN 113 -1.955 -0.557 -4.126 952 HD22 ASN 113 1HD2 ASN 113 -1.107 -2.047 -3.740 953 H SER 114 H SER 114 -2.579 -0.357 -7.381 954 HA SER 114 HA SER 114 -1.305 -1.985 -9.403 955 HB2 SER 114 1HB SER 114 -0.441 0.622 -8.092 956 HB3 SER 114 2HB SER 114 0.237 -0.073 -9.580 957 HG SER 114 HG SER 114 -1.449 1.567 -9.847 958 H GLN 115 H GLN 115 -0.569 -3.860 -8.341 959 HA GLN 115 HA GLN 115 1.372 -3.683 -6.167 960 HB2 GLN 115 1HB GLN 115 0.710 -5.970 -8.059 961 HB3 GLN 115 2HB GLN 115 1.692 -6.081 -6.593 962 HG2 GLN 115 1HG GLN 115 -0.319 -5.391 -5.266 963 HG3 GLN 115 2HG GLN 115 -1.275 -5.477 -6.757 964 HE21 GLN 115 2HE2 GLN 115 -2.553 -7.147 -5.784 965 HE22 GLN 115 1HE2 GLN 115 -1.911 -8.777 -5.660 966 H THR 116 H THR 116 2.428 -1.935 -7.887 967 HA THR 116 HA THR 116 4.081 -3.074 -9.954 968 HB THR 116 HB THR 116 5.320 -0.852 -9.764 969 HG1 THR 116 HG1 THR 116 4.210 0.680 -8.376 970 HG21 THR 116 1HG2 THR 116 3.352 -1.133 -11.256 971 HG22 THR 116 2HG2 THR 116 3.446 0.505 -10.573 972 HG23 THR 116 3HG2 THR 116 2.285 -0.665 -9.911 973 H ASP 117 H ASP 117 6.286 -3.529 -9.962 974 HA ASP 117 HA ASP 117 7.610 -3.697 -7.312 975 HB2 ASP 117 1HB ASP 117 6.477 -5.905 -8.680 976 HB3 ASP 117 2HB ASP 117 8.227 -6.010 -8.937 977 H LEU 118 H LEU 118 9.892 -3.909 -7.453 978 HA LEU 118 HA LEU 118 11.014 -3.039 -10.089 979 HB2 LEU 118 1HB LEU 118 11.737 -1.998 -7.324 980 HB3 LEU 118 2HB LEU 118 12.485 -1.497 -8.840 981 HG LEU 118 HG LEU 118 9.570 -1.023 -8.117 982 HD11 LEU 118 1HD1 LEU 118 11.084 0.179 -6.592 983 HD12 LEU 118 2HD1 LEU 118 10.247 1.302 -7.682 984 HD13 LEU 118 3HD1 LEU 118 11.948 0.878 -7.986 985 HD21 LEU 118 3HD2 LEU 118 11.304 0.118 -10.355 986 HD22 LEU 118 1HD2 LEU 118 9.645 0.630 -9.968 987 HD23 LEU 118 2HD2 LEU 118 9.946 -1.018 -10.544 988 H GLU 119 H GLU 119 13.276 -3.578 -10.344 989 HA GLU 119 HA GLU 119 14.092 -6.082 -9.122 990 HB2 GLU 119 1HB GLU 119 14.984 -4.235 -11.232 991 HB3 GLU 119 2HB GLU 119 16.333 -4.934 -10.335 992 HG2 GLU 119 1HG GLU 119 14.156 -6.743 -11.358 993 HG3 GLU 119 2HG GLU 119 15.391 -6.131 -12.476 994 H HIS 120 H HIS 120 13.971 -3.054 -7.894 995 HA HIS 120 HA HIS 120 14.926 -1.905 -6.162 996 HB2 HIS 120 1HB HIS 120 16.401 -4.397 -5.290 997 HB3 HIS 120 2HB HIS 120 15.733 -3.102 -4.288 998 HD1 HIS 120 HD1 HIS 120 13.127 -3.255 -3.654 999 HD2 HIS 120 HD2 HIS 120 14.572 -6.400 -6.066 1000 HE1 HIS 120 HE1 HIS 120 11.349 -5.055 -3.685 1001 H HIS 121 H HIS 121 17.480 -1.854 -5.036 1002 HA HIS 121 HA HIS 121 19.291 -1.783 -7.423 1003 HB2 HIS 121 1HB HIS 121 18.947 0.390 -5.329 1004 HB3 HIS 121 2HB HIS 121 20.269 0.332 -6.501 1005 HD1 HIS 121 HD1 HIS 121 17.861 2.560 -6.279 1006 HD2 HIS 121 HD2 HIS 121 18.328 -0.473 -9.142 1007 HE1 HIS 121 HE1 HIS 121 16.569 3.289 -8.354 1008 H HIS 122 H HIS 122 19.009 -3.733 -5.137 1009 HA HIS 122 HA HIS 122 21.898 -3.633 -4.404 1010 HB2 HIS 122 1HB HIS 122 21.442 -4.376 -2.123 1011 HB3 HIS 122 2HB HIS 122 20.733 -2.793 -2.445 1012 HD1 HIS 122 HD1 HIS 122 18.354 -2.510 -1.656 1013 HD2 HIS 122 HD2 HIS 122 19.348 -6.535 -2.301 1014 HE1 HIS 122 HE1 HIS 122 16.335 -3.896 -0.930 1015 H HIS 123 H HIS 123 20.388 -5.138 -6.463 1016 HA HIS 123 HA HIS 123 20.223 -7.875 -5.488 1017 HB2 HIS 123 1HB HIS 123 19.011 -6.674 -7.507 1018 HB3 HIS 123 2HB HIS 123 20.440 -7.190 -8.411 1019 HD1 HIS 123 HD1 HIS 123 17.523 -8.302 -9.000 1020 HD2 HIS 123 HD2 HIS 123 20.395 -10.196 -6.566 1021 HE1 HIS 123 HE1 HIS 123 16.924 -10.762 -8.910 1022 H HIS 124 H HIS 124 22.849 -5.898 -6.297 1023 HA HIS 124 HA HIS 124 24.615 -8.292 -6.639 1024 HB2 HIS 124 1HB HIS 124 24.754 -5.575 -8.017 1025 HB3 HIS 124 2HB HIS 124 26.172 -6.608 -7.831 1026 HD1 HIS 124 HD1 HIS 124 26.242 -8.892 -9.159 1027 HD2 HIS 124 HD2 HIS 124 23.023 -6.373 -10.094 1028 HE1 HIS 124 HE1 HIS 124 25.234 -9.751 -11.341 1029 H HIS 125 H HIS 125 26.779 -7.868 -5.789 1030 HA HIS 125 HA HIS 125 27.232 -5.488 -4.170 1031 HB2 HIS 125 1HB HIS 125 27.922 -6.689 -2.182 1032 HB3 HIS 125 2HB HIS 125 26.236 -7.121 -2.489 1033 HD1 HIS 125 HD1 HIS 125 25.854 -9.568 -2.043 1034 HD2 HIS 125 HD2 HIS 125 29.692 -8.828 -3.559 1035 HE1 HIS 125 HE1 HIS 125 27.037 -11.825 -2.197 Start of MODEL 13 1 H21 MYR 1 1H2 MYR 1 1.045 0.611 -1.068 2 H22 MYR 1 2H2 MYR 1 2.264 0.215 0.134 3 H31 MYR 1 1H3 MYR 1 -0.320 -1.380 -0.405 4 H32 MYR 1 2H3 MYR 1 1.303 -1.842 -0.908 5 H41 MYR 1 1H4 MYR 1 1.905 -1.750 1.664 6 H42 MYR 1 2H4 MYR 1 0.168 -1.736 1.932 7 H51 MYR 1 1H5 MYR 1 -0.009 -3.932 0.643 8 H52 MYR 1 2H5 MYR 1 1.728 -3.910 0.411 9 H61 MYR 1 1H6 MYR 1 1.509 -5.342 2.272 10 H62 MYR 1 2H6 MYR 1 1.929 -3.808 3.019 11 H71 MYR 1 1H7 MYR 1 -0.659 -3.435 3.307 12 H72 MYR 1 2H7 MYR 1 -0.839 -5.129 2.857 13 H81 MYR 1 1H8 MYR 1 0.659 -5.769 4.807 14 H82 MYR 1 2H8 MYR 1 0.781 -4.061 5.241 15 H91 MYR 1 1H9 MYR 1 -1.803 -5.723 5.178 16 H92 MYR 1 2H9 MYR 1 -1.749 -3.985 5.475 17 H101 MYR 1 1H10 MYR 1 -0.200 -4.453 7.469 18 H102 MYR 1 2H10 MYR 1 -0.507 -6.171 7.241 19 H111 MYR 1 1H11 MYR 1 -1.948 -4.785 8.977 20 H112 MYR 1 2H11 MYR 1 -2.822 -4.188 7.584 21 H121 MYR 1 1H12 MYR 1 -3.542 -6.459 6.960 22 H122 MYR 1 2H12 MYR 1 -2.497 -7.173 8.179 23 H131 MYR 1 1H13 MYR 1 -4.691 -7.240 9.111 24 H132 MYR 1 2H13 MYR 1 -3.871 -5.961 9.983 25 H141 MYR 1 1H14 MYR 1 -6.246 -5.366 9.305 26 H142 MYR 1 2H14 MYR 1 -5.062 -4.229 8.644 27 H143 MYR 1 3H14 MYR 1 -5.769 -5.478 7.603 28 H GLY 2 H GLY 2 2.063 0.986 2.113 29 HA2 GLY 2 1HA GLY 2 -0.297 1.508 3.590 30 HA3 GLY 2 2HA GLY 2 1.318 2.130 3.951 31 H GLN 3 H GLN 3 1.723 3.645 1.567 32 HA GLN 3 HA GLN 3 0.443 6.090 2.280 33 HB2 GLN 3 1HB GLN 3 1.933 5.073 -0.119 34 HB3 GLN 3 2HB GLN 3 1.055 6.589 -0.280 35 HG2 GLN 3 1HG GLN 3 3.037 6.143 1.982 36 HG3 GLN 3 2HG GLN 3 3.564 6.658 0.378 37 HE21 GLN 3 2HE2 GLN 3 0.505 7.972 0.906 38 HE22 GLN 3 1HE2 GLN 3 1.004 9.541 1.483 39 H GLU 4 H GLU 4 -0.482 3.601 -0.122 40 HA GLU 4 HA GLU 4 -2.677 5.163 -1.190 41 HB2 GLU 4 1HB GLU 4 -1.447 3.362 -2.403 42 HB3 GLU 4 2HB GLU 4 -2.123 2.176 -1.283 43 HG2 GLU 4 1HG GLU 4 -3.381 2.152 -3.265 44 HG3 GLU 4 2HG GLU 4 -4.388 2.827 -1.993 45 H LEU 5 H LEU 5 -2.311 2.520 1.158 46 HA LEU 5 HA LEU 5 -5.075 2.181 1.737 47 HB2 LEU 5 1HB LEU 5 -2.596 1.816 3.435 48 HB3 LEU 5 2HB LEU 5 -4.203 1.374 3.990 49 HG LEU 5 HG LEU 5 -2.926 0.238 1.482 50 HD11 LEU 5 1HD1 LEU 5 -1.623 -0.378 3.463 51 HD12 LEU 5 2HD1 LEU 5 -2.483 -1.777 2.793 52 HD13 LEU 5 3HD1 LEU 5 -3.102 -0.977 4.256 53 HD21 LEU 5 3HD2 LEU 5 -5.395 0.102 1.524 54 HD22 LEU 5 1HD2 LEU 5 -5.323 -0.719 3.098 55 HD23 LEU 5 2HD2 LEU 5 -4.646 -1.497 1.650 56 H SER 6 H SER 6 -2.744 4.598 2.989 57 HA SER 6 HA SER 6 -4.706 5.796 4.776 58 HB2 SER 6 1HB SER 6 -2.173 5.995 4.986 59 HB3 SER 6 2HB SER 6 -2.218 7.093 3.603 60 HG SER 6 HG SER 6 -3.838 8.279 4.913 61 H GLN 7 H GLN 7 -4.493 5.810 1.409 62 HA GLN 7 HA GLN 7 -5.598 8.563 1.143 63 HB2 GLN 7 1HB GLN 7 -3.697 7.756 -0.290 64 HB3 GLN 7 2HB GLN 7 -4.769 6.535 -0.971 65 HG2 GLN 7 1HG GLN 7 -6.121 8.179 -2.036 66 HG3 GLN 7 2HG GLN 7 -5.347 9.493 -1.132 67 HE21 GLN 7 2HE2 GLN 7 -4.501 6.802 -3.369 68 HE22 GLN 7 1HE2 GLN 7 -3.288 7.722 -4.229 69 H HIS 8 H HIS 8 -6.449 5.160 1.122 70 HA HIS 8 HA HIS 8 -8.929 5.552 -0.361 71 HB2 HIS 8 1HB HIS 8 -7.696 3.398 -0.331 72 HB3 HIS 8 2HB HIS 8 -8.061 3.223 1.381 73 HD1 HIS 8 HD1 HIS 8 -9.325 0.938 0.536 74 HD2 HIS 8 HD2 HIS 8 -11.039 4.558 -0.619 75 HE1 HIS 8 HE1 HIS 8 -11.696 0.434 -0.179 76 H GLU 9 H GLU 9 -10.389 6.870 0.537 77 HA GLU 9 HA GLU 9 -10.813 7.559 3.126 78 HB2 GLU 9 1HB GLU 9 -13.147 8.094 2.478 79 HB3 GLU 9 2HB GLU 9 -11.939 8.624 1.298 80 HG2 GLU 9 1HG GLU 9 -12.469 6.684 -0.147 81 HG3 GLU 9 2HG GLU 9 -13.656 6.126 1.032 82 H ARG 10 H ARG 10 -12.353 4.600 1.736 83 HA ARG 10 HA ARG 10 -13.936 4.197 4.130 84 HB2 ARG 10 1HB ARG 10 -13.259 2.409 1.779 85 HB3 ARG 10 2HB ARG 10 -14.347 1.924 3.084 86 HG2 ARG 10 1HG ARG 10 -16.047 3.288 2.381 87 HG3 ARG 10 2HG ARG 10 -14.951 4.556 1.834 88 HD2 ARG 10 1HD ARG 10 -14.430 2.474 0.065 89 HD3 ARG 10 2HD ARG 10 -16.183 2.380 0.320 90 HE ARG 10 HE ARG 10 -15.459 5.115 -0.104 91 HH11 ARG 10 1HH1 ARG 10 -15.658 2.112 -1.965 92 HH12 ARG 10 2HH1 ARG 10 -15.911 2.964 -3.464 93 HH21 ARG 10 1HH2 ARG 10 -15.757 6.118 -2.006 94 HH22 ARG 10 2HH2 ARG 10 -15.981 5.203 -3.489 95 H TYR 11 H TYR 11 -10.816 2.904 2.982 96 HA TYR 11 HA TYR 11 -10.593 1.031 5.176 97 HB2 TYR 11 1HB TYR 11 -9.311 0.889 3.027 98 HB3 TYR 11 2HB TYR 11 -8.367 2.298 3.541 99 HD1 TYR 11 HD1 TYR 11 -9.457 -1.065 4.874 100 HD2 TYR 11 HD2 TYR 11 -6.351 1.895 4.668 101 HE1 TYR 11 HE1 TYR 11 -7.961 -2.531 6.204 102 HE2 TYR 11 HE2 TYR 11 -4.853 0.398 5.984 103 HH TYR 11 HH TYR 11 -4.611 -1.581 7.024 104 H VAL 12 H VAL 12 -9.573 4.387 4.544 105 HA VAL 12 HA VAL 12 -8.127 4.812 6.950 106 HB VAL 12 HB VAL 12 -9.780 6.719 5.236 107 HG11 VAL 12 1HG1 VAL 12 -8.597 8.573 6.373 108 HG12 VAL 12 2HG1 VAL 12 -9.643 7.680 7.492 109 HG13 VAL 12 3HG1 VAL 12 -7.886 7.414 7.516 110 HG21 VAL 12 3HG2 VAL 12 -7.691 5.656 4.267 111 HG22 VAL 12 1HG2 VAL 12 -7.649 7.425 4.352 112 HG23 VAL 12 2HG2 VAL 12 -6.767 6.452 5.552 113 H GLU 13 H GLU 13 -11.687 5.027 6.322 114 HA GLU 13 HA GLU 13 -12.364 6.007 8.911 115 HB2 GLU 13 1HB GLU 13 -13.862 4.289 6.924 116 HB3 GLU 13 2HB GLU 13 -14.573 4.757 8.468 117 HG2 GLU 13 1HG GLU 13 -13.449 6.871 6.647 118 HG3 GLU 13 2HG GLU 13 -15.042 6.171 6.316 119 H GLN 14 H GLN 14 -12.046 2.601 7.762 120 HA GLN 14 HA GLN 14 -12.707 1.424 10.293 121 HB2 GLN 14 1HB GLN 14 -10.958 0.473 7.995 122 HB3 GLN 14 2HB GLN 14 -11.261 -0.503 9.434 123 HG2 GLN 14 1HG GLN 14 -13.363 0.511 7.499 124 HG3 GLN 14 2HG GLN 14 -12.749 -1.147 7.615 125 HE21 GLN 14 2HE2 GLN 14 -12.802 -1.909 10.106 126 HE22 GLN 14 1HE2 GLN 14 -14.378 -1.699 10.830 127 H LEU 15 H LEU 15 -9.613 2.560 8.900 128 HA LEU 15 HA LEU 15 -8.064 1.619 11.125 129 HB2 LEU 15 1HB LEU 15 -7.590 3.602 8.926 130 HB3 LEU 15 2HB LEU 15 -6.444 3.433 10.241 131 HG LEU 15 HG LEU 15 -7.176 1.312 8.212 132 HD11 LEU 15 1HD1 LEU 15 -4.734 1.636 7.692 133 HD12 LEU 15 2HD1 LEU 15 -4.718 2.989 8.834 134 HD13 LEU 15 3HD1 LEU 15 -5.739 3.061 7.373 135 HD21 LEU 15 3HD2 LEU 15 -5.312 1.135 10.626 136 HD22 LEU 15 1HD2 LEU 15 -5.337 -0.026 9.277 137 HD23 LEU 15 2HD2 LEU 15 -6.760 0.144 10.316 138 H LYS 16 H LYS 16 -9.993 4.557 10.737 139 HA LYS 16 HA LYS 16 -8.623 6.096 12.768 140 HB2 LYS 16 1HB LYS 16 -11.558 6.015 11.969 141 HB3 LYS 16 2HB LYS 16 -10.908 7.138 13.161 142 HG2 LYS 16 1HG LYS 16 -9.498 8.193 11.469 143 HG3 LYS 16 2HG LYS 16 -10.041 7.016 10.268 144 HD2 LYS 16 1HD LYS 16 -12.399 7.759 10.717 145 HD3 LYS 16 2HD LYS 16 -11.731 9.097 11.666 146 HE2 LYS 16 1HE LYS 16 -10.537 9.931 9.681 147 HE3 LYS 16 2HE LYS 16 -11.082 8.519 8.748 148 HZ1 LYS 16 3HZ LYS 16 -13.371 9.248 9.086 149 HZ2 LYS 16 1HZ LYS 16 -12.495 10.391 8.276 150 HZ3 LYS 16 2HZ LYS 16 -12.856 10.607 9.872 151 H GLN 17 H GLN 17 -11.126 3.574 12.808 152 HA GLN 17 HA GLN 17 -11.361 3.693 15.705 153 HB2 GLN 17 1HB GLN 17 -12.189 1.439 13.845 154 HB3 GLN 17 2HB GLN 17 -12.742 1.715 15.499 155 HG2 GLN 17 1HG GLN 17 -13.344 3.413 13.047 156 HG3 GLN 17 2HG GLN 17 -14.471 2.382 13.930 157 HE21 GLN 17 2HE2 GLN 17 -14.696 5.196 13.308 158 HE22 GLN 17 1HE2 GLN 17 -14.825 6.037 14.834 159 H ALA 18 H ALA 18 -9.621 1.583 13.345 160 HA ALA 18 HA ALA 18 -8.763 -0.246 15.340 161 HB1 ALA 18 3HB ALA 18 -8.725 -0.655 12.867 162 HB2 ALA 18 1HB ALA 18 -7.324 0.439 12.741 163 HB3 ALA 18 2HB ALA 18 -7.192 -1.068 13.674 164 H LEU 19 H LEU 19 -7.067 2.709 14.094 165 HA LEU 19 HA LEU 19 -4.665 2.293 15.625 166 HB2 LEU 19 1HB LEU 19 -6.005 4.653 14.323 167 HB3 LEU 19 2HB LEU 19 -4.804 4.977 15.556 168 HG LEU 19 HG LEU 19 -3.122 3.682 14.213 169 HD11 LEU 19 1HD1 LEU 19 -4.532 2.374 12.719 170 HD12 LEU 19 2HD1 LEU 19 -3.504 3.482 11.774 171 HD13 LEU 19 3HD1 LEU 19 -5.221 3.864 12.029 172 HD21 LEU 19 3HD2 LEU 19 -3.277 6.165 14.224 173 HD22 LEU 19 1HD2 LEU 19 -4.379 6.086 12.829 174 HD23 LEU 19 2HD2 LEU 19 -2.692 5.531 12.667 175 H LYS 20 H LYS 20 -7.786 3.837 16.346 176 HA LYS 20 HA LYS 20 -7.042 4.864 18.936 177 HB2 LYS 20 1HB LYS 20 -8.918 5.715 17.563 178 HB3 LYS 20 2HB LYS 20 -9.728 4.158 17.686 179 HG2 LYS 20 1HG LYS 20 -9.929 4.499 20.155 180 HG3 LYS 20 2HG LYS 20 -9.286 6.143 19.929 181 HD2 LYS 20 1HD LYS 20 -11.137 6.638 18.363 182 HD3 LYS 20 2HD LYS 20 -11.736 4.976 18.541 183 HE2 LYS 20 1HE LYS 20 -12.061 5.393 20.984 184 HE3 LYS 20 2HE LYS 20 -11.599 7.091 20.723 185 HZ1 LYS 20 3HZ LYS 20 -13.468 7.302 19.200 186 HZ2 LYS 20 1HZ LYS 20 -14.016 6.764 20.662 187 HZ3 LYS 20 2HZ LYS 20 -13.875 5.716 19.393 188 H THR 21 H THR 21 -8.786 1.871 17.965 189 HA THR 21 HA THR 21 -9.397 1.060 20.656 190 HB THR 21 HB THR 21 -9.662 -1.250 19.589 191 HG1 THR 21 HG1 THR 21 -9.214 0.189 17.178 192 HG21 THR 21 1HG2 THR 21 -11.620 0.127 19.682 193 HG22 THR 21 2HG2 THR 21 -11.517 -0.541 18.037 194 HG23 THR 21 3HG2 THR 21 -11.051 1.140 18.334 195 H ARG 22 H ARG 22 -6.510 0.833 18.725 196 HA ARG 22 HA ARG 22 -5.292 -1.329 20.175 197 HB2 ARG 22 1HB ARG 22 -4.649 -0.414 17.902 198 HB3 ARG 22 2HB ARG 22 -3.965 0.991 18.716 199 HG2 ARG 22 1HG ARG 22 -2.222 -0.574 18.119 200 HG3 ARG 22 2HG ARG 22 -2.352 -0.482 19.878 201 HD2 ARG 22 1HD ARG 22 -4.063 -2.562 18.716 202 HD3 ARG 22 2HD ARG 22 -2.342 -2.792 18.354 203 HE ARG 22 HE ARG 22 -2.616 -2.139 21.111 204 HH11 ARG 22 1HH1 ARG 22 -3.350 -4.825 18.938 205 HH12 ARG 22 2HH1 ARG 22 -3.102 -6.015 20.199 206 HH21 ARG 22 1HH2 ARG 22 -2.337 -3.742 22.648 207 HH22 ARG 22 2HH2 ARG 22 -2.518 -5.426 22.209 208 H GLY 23 H GLY 23 -5.950 1.972 20.949 209 HA2 GLY 23 1HA GLY 23 -5.726 3.005 22.992 210 HA3 GLY 23 2HA GLY 23 -4.911 1.561 23.611 211 H VAL 24 H VAL 24 -3.394 2.543 20.798 212 HA VAL 24 HA VAL 24 -1.260 3.851 22.420 213 HB VAL 24 HB VAL 24 -0.737 1.607 21.342 214 HG11 VAL 24 1HG1 VAL 24 -0.747 3.189 18.756 215 HG12 VAL 24 2HG1 VAL 24 -0.332 1.481 18.978 216 HG13 VAL 24 3HG1 VAL 24 -1.999 2.028 19.225 217 HG21 VAL 24 3HG2 VAL 24 1.494 2.263 20.588 218 HG22 VAL 24 1HG2 VAL 24 0.974 3.952 20.411 219 HG23 VAL 24 2HG2 VAL 24 1.032 3.197 22.024 220 H LYS 25 H LYS 25 -0.270 5.701 21.579 221 HA LYS 25 HA LYS 25 -2.227 7.247 19.985 222 HB2 LYS 25 1HB LYS 25 0.002 8.055 21.889 223 HB3 LYS 25 2HB LYS 25 -0.910 9.205 20.908 224 HG2 LYS 25 1HG LYS 25 -2.004 9.291 22.998 225 HG3 LYS 25 2HG LYS 25 -3.045 8.247 22.024 226 HD2 LYS 25 1HD LYS 25 -1.955 6.242 23.122 227 HD3 LYS 25 2HD LYS 25 -1.042 7.344 24.159 228 HE2 LYS 25 1HE LYS 25 -3.119 8.160 25.150 229 HE3 LYS 25 2HE LYS 25 -4.080 7.223 23.984 230 HZ1 LYS 25 3HZ LYS 25 -2.271 6.051 26.029 231 HZ2 LYS 25 1HZ LYS 25 -3.145 5.184 24.926 232 HZ3 LYS 25 2HZ LYS 25 -3.918 6.057 26.098 233 H VAL 26 H VAL 26 -1.661 6.394 17.985 234 HA VAL 26 HA VAL 26 0.966 7.368 16.921 235 HB VAL 26 HB VAL 26 0.784 5.491 15.225 236 HG11 VAL 26 1HG1 VAL 26 1.561 3.707 16.745 237 HG12 VAL 26 2HG1 VAL 26 2.264 5.279 17.178 238 HG13 VAL 26 3HG1 VAL 26 0.929 4.612 18.140 239 HG21 VAL 26 3HG2 VAL 26 -1.407 4.438 17.076 240 HG22 VAL 26 1HG2 VAL 26 -1.643 5.063 15.434 241 HG23 VAL 26 2HG2 VAL 26 -0.700 3.586 15.687 242 H LYS 27 H LYS 27 0.897 7.922 14.643 243 HA LYS 27 HA LYS 27 -1.707 9.226 13.950 244 HB2 LYS 27 1HB LYS 27 0.898 10.139 14.139 245 HB3 LYS 27 2HB LYS 27 0.731 9.851 12.411 246 HG2 LYS 27 1HG LYS 27 -1.167 11.367 12.296 247 HG3 LYS 27 2HG LYS 27 -1.121 11.600 14.053 248 HD2 LYS 27 1HD LYS 27 1.157 12.302 12.148 249 HD3 LYS 27 2HD LYS 27 -0.025 13.468 12.772 250 HE2 LYS 27 1HE LYS 27 0.739 13.011 15.096 251 HE3 LYS 27 2HE LYS 27 1.915 11.830 14.482 252 HZ1 LYS 27 3HZ LYS 27 1.932 14.710 13.808 253 HZ2 LYS 27 1HZ LYS 27 3.036 13.584 13.314 254 HZ3 LYS 27 2HZ LYS 27 2.923 13.981 14.909 255 H PHE 28 H PHE 28 -2.312 9.134 11.639 256 HA PHE 28 HA PHE 28 -2.022 6.556 10.442 257 HB2 PHE 28 1HB PHE 28 -2.933 9.274 9.502 258 HB3 PHE 28 2HB PHE 28 -2.647 8.001 8.311 259 HD1 PHE 28 HD2 PHE 28 -4.579 8.700 11.460 260 HD2 PHE 28 HD1 PHE 28 -4.249 6.403 7.837 261 HE1 PHE 28 HE2 PHE 28 -6.811 7.690 11.897 262 HE2 PHE 28 HE1 PHE 28 -6.466 5.403 8.264 263 HZ PHE 28 HZ PHE 28 -7.743 6.029 10.297 264 H ALA 29 H ALA 29 -0.258 9.619 10.000 265 HA ALA 29 HA ALA 29 1.244 8.832 7.735 266 HB1 ALA 29 3HB ALA 29 2.026 10.730 9.998 267 HB2 ALA 29 1HB ALA 29 2.788 10.649 8.394 268 HB3 ALA 29 2HB ALA 29 1.093 11.170 8.541 269 H ASP 30 H ASP 30 1.795 8.322 11.209 270 HA ASP 30 HA ASP 30 4.434 7.202 10.793 271 HB2 ASP 30 1HB ASP 30 2.561 7.209 13.190 272 HB3 ASP 30 2HB ASP 30 4.226 6.606 13.215 273 H LEU 31 H LEU 31 1.165 5.876 11.564 274 HA LEU 31 HA LEU 31 2.113 3.211 11.848 275 HB2 LEU 31 1HB LEU 31 -0.022 4.118 12.724 276 HB3 LEU 31 2HB LEU 31 -0.658 4.200 11.093 277 HG LEU 31 HG LEU 31 -1.333 2.286 12.748 278 HD11 LEU 31 1HD1 LEU 31 -1.881 0.851 10.881 279 HD12 LEU 31 2HD1 LEU 31 -0.681 1.666 9.856 280 HD13 LEU 31 3HD1 LEU 31 -2.112 2.547 10.430 281 HD21 LEU 31 3HD2 LEU 31 1.086 0.986 11.450 282 HD22 LEU 31 1HD2 LEU 31 -0.117 0.218 12.507 283 HD23 LEU 31 2HD2 LEU 31 0.967 1.455 13.165 284 H LEU 32 H LEU 32 0.378 4.709 9.060 285 HA LEU 32 HA LEU 32 0.663 2.347 7.457 286 HB2 LEU 32 1HB LEU 32 0.093 5.219 6.748 287 HB3 LEU 32 2HB LEU 32 0.324 3.998 5.517 288 HG LEU 32 HG LEU 32 -1.984 4.217 5.752 289 HD11 LEU 32 1HD1 LEU 32 -2.814 2.087 6.388 290 HD12 LEU 32 2HD1 LEU 32 -1.427 1.782 7.456 291 HD13 LEU 32 3HD1 LEU 32 -1.206 1.842 5.693 292 HD21 LEU 32 3HD2 LEU 32 -1.932 5.415 7.868 293 HD22 LEU 32 1HD2 LEU 32 -1.707 3.869 8.726 294 HD23 LEU 32 2HD2 LEU 32 -3.196 4.185 7.794 295 H LYS 33 H LYS 33 3.013 4.800 8.180 296 HA LYS 33 HA LYS 33 4.654 4.425 5.850 297 HB2 LYS 33 1HB LYS 33 5.132 6.199 7.443 298 HB3 LYS 33 2HB LYS 33 5.381 5.037 8.735 299 HG2 LYS 33 1HG LYS 33 7.488 6.009 7.852 300 HG3 LYS 33 2HG LYS 33 7.419 4.243 7.816 301 HD2 LYS 33 1HD LYS 33 8.457 5.168 5.743 302 HD3 LYS 33 2HD LYS 33 6.992 4.268 5.386 303 HE2 LYS 33 1HE LYS 33 5.852 6.675 5.517 304 HE3 LYS 33 2HE LYS 33 7.507 7.206 5.139 305 HZ1 LYS 33 3HZ LYS 33 7.429 5.613 3.246 306 HZ2 LYS 33 1HZ LYS 33 6.283 6.795 3.112 307 HZ3 LYS 33 2HZ LYS 33 5.846 5.279 3.590 308 H PHE 34 H PHE 34 4.260 2.503 8.834 309 HA PHE 34 HA PHE 34 6.406 0.699 8.088 310 HB2 PHE 34 1HB PHE 34 4.227 0.590 10.160 311 HB3 PHE 34 2HB PHE 34 5.397 -0.706 9.937 312 HD1 PHE 34 HD1 PHE 34 7.781 -0.370 10.503 313 HD2 PHE 34 HD2 PHE 34 4.934 2.782 10.968 314 HE1 PHE 34 HE1 PHE 34 9.437 0.936 11.840 315 HE2 PHE 34 HE2 PHE 34 6.555 4.097 12.303 316 HZ PHE 34 HZ PHE 34 8.817 3.167 12.755 317 H PHE 35 H PHE 35 3.026 0.961 7.249 318 HA PHE 35 HA PHE 35 2.782 -1.757 6.235 319 HB2 PHE 35 1HB PHE 35 1.230 0.793 5.733 320 HB3 PHE 35 2HB PHE 35 0.904 -0.693 4.855 321 HD1 PHE 35 HD2 PHE 35 1.695 -0.289 8.561 322 HD2 PHE 35 HD1 PHE 35 -1.202 -1.317 5.553 323 HE1 PHE 35 HE2 PHE 35 0.134 -1.046 10.320 324 HE2 PHE 35 HE1 PHE 35 -2.783 -2.027 7.319 325 HZ PHE 35 HZ PHE 35 -2.117 -1.907 9.712 326 H ASP 36 H ASP 36 4.125 1.317 5.020 327 HA ASP 36 HA ASP 36 4.350 0.416 2.249 328 HB2 ASP 36 1HB ASP 36 5.994 2.462 3.809 329 HB3 ASP 36 2HB ASP 36 6.145 2.162 2.080 330 H PHE 37 H PHE 37 6.230 0.116 5.225 331 HA PHE 37 HA PHE 37 8.665 -0.702 3.992 332 HB2 PHE 37 1HB PHE 37 8.280 0.205 6.335 333 HB3 PHE 37 2HB PHE 37 7.744 -1.415 6.792 334 HD1 PHE 37 HD1 PHE 37 10.631 0.401 5.214 335 HD2 PHE 37 HD2 PHE 37 9.334 -2.975 7.538 336 HE1 PHE 37 HE1 PHE 37 13.007 -0.234 5.607 337 HE2 PHE 37 HE2 PHE 37 11.703 -3.622 7.932 338 HZ PHE 37 HZ PHE 37 13.546 -2.245 6.962 339 H VAL 38 H VAL 38 5.923 -2.641 5.319 340 HA VAL 38 HA VAL 38 7.223 -5.160 4.801 341 HB VAL 38 HB VAL 38 5.408 -5.452 6.253 342 HG11 VAL 38 1HG1 VAL 38 3.118 -4.630 5.861 343 HG12 VAL 38 2HG1 VAL 38 4.309 -3.336 6.003 344 HG13 VAL 38 3HG1 VAL 38 3.689 -3.801 4.402 345 HG21 VAL 38 3HG2 VAL 38 3.789 -6.911 5.187 346 HG22 VAL 38 1HG2 VAL 38 4.081 -6.175 3.595 347 HG23 VAL 38 2HG2 VAL 38 5.349 -7.148 4.377 348 H LYS 39 H LYS 39 5.282 -2.974 2.756 349 HA LYS 39 HA LYS 39 4.937 -4.788 0.579 350 HB2 LYS 39 1HB LYS 39 3.721 -2.694 0.721 351 HB3 LYS 39 2HB LYS 39 5.201 -1.764 0.647 352 HG2 LYS 39 1HG LYS 39 4.884 -3.549 -1.661 353 HG3 LYS 39 2HG LYS 39 3.567 -2.379 -1.497 354 HD2 LYS 39 1HD LYS 39 4.931 -0.551 -1.829 355 HD3 LYS 39 2HD LYS 39 6.356 -1.334 -1.125 356 HE2 LYS 39 1HE LYS 39 5.207 -2.246 -3.771 357 HE3 LYS 39 2HE LYS 39 6.355 -0.895 -3.664 358 HZ1 LYS 39 3HZ LYS 39 7.404 -3.089 -4.051 359 HZ2 LYS 39 1HZ LYS 39 6.912 -3.583 -2.555 360 HZ3 LYS 39 2HZ LYS 39 7.971 -2.319 -2.697 361 H ASP 40 H ASP 40 7.697 -2.643 1.415 362 HA ASP 40 HA ASP 40 9.024 -3.299 -1.096 363 HB2 ASP 40 1HB ASP 40 9.650 -1.647 1.303 364 HB3 ASP 40 2HB ASP 40 11.025 -2.286 0.385 365 H THR 41 H THR 41 9.571 -4.346 2.330 366 HA THR 41 HA THR 41 11.798 -6.010 1.511 367 HB THR 41 HB THR 41 10.188 -6.554 4.011 368 HG1 THR 41 HG1 THR 41 11.932 -4.351 3.527 369 HG21 THR 41 1HG2 THR 41 13.176 -6.397 3.430 370 HG22 THR 41 2HG2 THR 41 12.223 -7.895 3.499 371 HG23 THR 41 3HG2 THR 41 12.427 -6.907 4.956 372 H CYS 42 H CYS 42 8.330 -6.490 1.747 373 HA CYS 42 HA CYS 42 8.703 -9.286 0.743 374 HB2 CYS 42 1HB CYS 42 6.576 -8.202 2.621 375 HB3 CYS 42 2HB CYS 42 6.536 -9.802 1.873 376 HG CYS 42 HG CYS 42 8.944 -8.584 3.747 377 HA PRO 43 HA PRO 43 6.284 -6.667 -2.195 378 HB2 PRO 43 1HB PRO 43 7.402 -7.524 -4.528 379 HB3 PRO 43 2HB PRO 43 8.193 -6.297 -3.484 380 HG2 PRO 43 1HG PRO 43 8.692 -9.266 -3.615 381 HG3 PRO 43 2HG PRO 43 9.874 -7.921 -3.692 382 HD2 PRO 43 1HD PRO 43 9.356 -9.266 -1.386 383 HD3 PRO 43 2HD PRO 43 9.714 -7.497 -1.394 384 H TRP 44 H TRP 44 6.892 -10.051 -1.871 385 HA TRP 44 HA TRP 44 4.800 -10.957 -3.652 386 HB2 TRP 44 1HB TRP 44 5.267 -13.098 -2.191 387 HB3 TRP 44 2HB TRP 44 6.421 -12.547 -3.418 388 HD1 TRP 44 HD1 TRP 44 5.863 -12.020 0.358 389 HE1 TRP 44 HE1 TRP 44 8.104 -11.808 1.572 390 HE3 TRP 44 HE3 TRP 44 8.855 -12.253 -3.748 391 HZ2 TRP 44 HZ2 TRP 44 10.854 -11.690 0.826 392 HZ3 TRP 44 HZ3 TRP 44 11.335 -12.051 -3.445 393 HH2 TRP 44 HH2 TRP 44 12.312 -11.771 -1.166 394 H PHE 45 H PHE 45 4.871 -9.752 -0.384 395 HA PHE 45 HA PHE 45 2.648 -11.248 0.619 396 HB2 PHE 45 1HB PHE 45 4.197 -9.969 2.056 397 HB3 PHE 45 2HB PHE 45 3.573 -8.458 1.402 398 HD1 PHE 45 HD2 PHE 45 1.265 -7.697 1.950 399 HD2 PHE 45 HD1 PHE 45 2.963 -11.238 3.712 400 HE1 PHE 45 HE2 PHE 45 -0.507 -7.670 3.697 401 HE2 PHE 45 HE1 PHE 45 1.202 -11.206 5.478 402 HZ PHE 45 HZ PHE 45 -0.537 -9.416 5.471 403 HA PRO 46 HA PRO 46 -0.267 -7.976 -0.875 404 HB2 PRO 46 1HB PRO 46 0.359 -6.127 -2.779 405 HB3 PRO 46 2HB PRO 46 0.621 -5.829 -1.029 406 HG2 PRO 46 1HG PRO 46 2.573 -6.808 -3.075 407 HG3 PRO 46 2HG PRO 46 2.726 -5.429 -1.940 408 HD2 PRO 46 1HD PRO 46 3.792 -7.819 -1.366 409 HD3 PRO 46 2HD PRO 46 3.000 -6.839 -0.091 410 H GLN 47 H GLN 47 2.112 -9.280 -3.172 411 HA GLN 47 HA GLN 47 0.396 -9.349 -5.466 412 HB2 GLN 47 1HB GLN 47 2.803 -10.991 -4.641 413 HB3 GLN 47 2HB GLN 47 1.972 -11.233 -6.181 414 HG2 GLN 47 1HG GLN 47 2.448 -8.967 -6.872 415 HG3 GLN 47 2HG GLN 47 3.158 -8.600 -5.302 416 HE21 GLN 47 2HE2 GLN 47 4.427 -8.326 -7.861 417 HE22 GLN 47 1HE2 GLN 47 5.809 -9.393 -7.854 418 H GLU 48 H GLU 48 0.887 -11.669 -2.787 419 HA GLU 48 HA GLU 48 -0.796 -13.655 -4.119 420 HB2 GLU 48 1HB GLU 48 0.344 -13.490 -1.313 421 HB3 GLU 48 2HB GLU 48 -0.608 -14.850 -1.927 422 HG2 GLU 48 1HG GLU 48 1.081 -15.148 -3.764 423 HG3 GLU 48 2HG GLU 48 2.075 -13.899 -2.999 424 H GLY 49 H GLY 49 -1.482 -10.775 -2.509 425 HA2 GLY 49 1HA GLY 49 -3.479 -9.853 -1.862 426 HA3 GLY 49 2HA GLY 49 -4.226 -11.101 -2.847 427 H THR 50 H THR 50 -2.381 -12.102 -0.039 428 HA THR 50 HA THR 50 -4.972 -12.664 1.349 429 HB THR 50 HB THR 50 -2.633 -14.589 1.079 430 HG1 THR 50 HG1 THR 50 -3.847 -14.220 -0.897 431 HG21 THR 50 1HG2 THR 50 -3.917 -15.020 3.109 432 HG22 THR 50 2HG2 THR 50 -4.356 -16.243 1.893 433 HG23 THR 50 3HG2 THR 50 -5.448 -14.878 2.210 434 H ILE 51 H ILE 51 -4.989 -12.390 3.516 435 HA ILE 51 HA ILE 51 -2.388 -11.614 4.804 436 HB ILE 51 HB ILE 51 -5.149 -10.357 5.096 437 HG12 ILE 51 1HG1 ILE 51 -2.499 -9.250 4.078 438 HG13 ILE 51 2HG1 ILE 51 -3.839 -9.753 3.053 439 HG21 ILE 51 1HG2 ILE 51 -3.903 -10.458 7.298 440 HG22 ILE 51 2HG2 ILE 51 -2.573 -9.543 6.543 441 HG23 ILE 51 3HG2 ILE 51 -4.193 -8.812 6.714 442 HD11 ILE 51 3HD1 ILE 51 -5.240 -8.051 4.251 443 HD12 ILE 51 1HD1 ILE 51 -3.709 -7.431 4.925 444 HD13 ILE 51 2HD1 ILE 51 -3.964 -7.456 3.174 445 H ASP 52 H ASP 52 -1.910 -13.310 5.960 446 HA ASP 52 HA ASP 52 -3.937 -14.358 7.907 447 HB2 ASP 52 1HB ASP 52 -3.107 -15.884 5.916 448 HB3 ASP 52 2HB ASP 52 -1.638 -16.007 6.878 449 H ILE 53 H ILE 53 -2.822 -15.209 9.799 450 HA ILE 53 HA ILE 53 -0.642 -13.476 10.645 451 HB ILE 53 HB ILE 53 -2.240 -14.363 12.280 452 HG12 ILE 53 1HG1 ILE 53 -0.633 -15.142 14.017 453 HG13 ILE 53 2HG1 ILE 53 0.594 -15.299 12.760 454 HG21 ILE 53 1HG2 ILE 53 -2.246 -16.664 13.072 455 HG22 ILE 53 2HG2 ILE 53 -2.682 -16.596 11.357 456 HG23 ILE 53 3HG2 ILE 53 -1.046 -17.110 11.841 457 HD11 ILE 53 3HD1 ILE 53 0.719 -13.197 14.148 458 HD12 ILE 53 1HD1 ILE 53 0.645 -12.919 12.398 459 HD13 ILE 53 2HD1 ILE 53 -0.806 -12.681 13.402 460 H LYS 54 H LYS 54 -1.054 -16.731 9.334 461 HA LYS 54 HA LYS 54 1.580 -17.723 9.724 462 HB2 LYS 54 1HB LYS 54 -0.267 -18.123 7.338 463 HB3 LYS 54 2HB LYS 54 1.093 -19.167 7.756 464 HG2 LYS 54 1HG LYS 54 -0.041 -20.111 9.599 465 HG3 LYS 54 2HG LYS 54 -1.141 -18.732 9.746 466 HD2 LYS 54 1HD LYS 54 -1.984 -19.425 7.381 467 HD3 LYS 54 2HD LYS 54 -1.235 -20.991 7.741 468 HE2 LYS 54 1HE LYS 54 -2.785 -21.478 9.407 469 HE3 LYS 54 2HE LYS 54 -2.997 -19.767 9.843 470 HZ1 LYS 54 3HZ LYS 54 -4.100 -21.037 7.402 471 HZ2 LYS 54 1HZ LYS 54 -4.258 -19.440 7.807 472 HZ3 LYS 54 2HZ LYS 54 -4.964 -20.607 8.742 473 H ARG 55 H ARG 55 0.270 -15.552 7.257 474 HA ARG 55 HA ARG 55 2.763 -15.492 5.729 475 HB2 ARG 55 1HB ARG 55 0.249 -13.785 5.647 476 HB3 ARG 55 2HB ARG 55 1.595 -13.659 4.504 477 HG2 ARG 55 1HG ARG 55 1.240 -15.965 3.792 478 HG3 ARG 55 2HG ARG 55 -0.093 -16.147 4.947 479 HD2 ARG 55 1HD ARG 55 -1.430 -14.554 3.807 480 HD3 ARG 55 2HD ARG 55 -0.058 -13.989 2.839 481 HE ARG 55 HE ARG 55 -1.726 -16.321 2.331 482 HH11 ARG 55 1HH1 ARG 55 1.385 -14.814 1.650 483 HH12 ARG 55 2HH1 ARG 55 1.612 -15.708 0.163 484 HH21 ARG 55 1HH2 ARG 55 -1.397 -17.393 0.390 485 HH22 ARG 55 2HH2 ARG 55 0.068 -17.108 -0.541 486 H TRP 56 H TRP 56 1.120 -13.450 8.153 487 HA TRP 56 HA TRP 56 2.917 -11.257 7.917 488 HB2 TRP 56 1HB TRP 56 0.654 -11.328 9.045 489 HB3 TRP 56 2HB TRP 56 1.451 -12.096 10.427 490 HD1 TRP 56 HD1 TRP 56 2.415 -10.445 12.170 491 HE1 TRP 56 HE1 TRP 56 2.986 -7.967 12.313 492 HE3 TRP 56 HE3 TRP 56 1.524 -9.255 7.280 493 HZ2 TRP 56 HZ2 TRP 56 3.078 -5.751 10.519 494 HZ3 TRP 56 HZ3 TRP 56 1.896 -6.897 6.533 495 HH2 TRP 56 HH2 TRP 56 2.665 -5.163 8.155 496 H ARG 57 H ARG 57 3.206 -14.319 9.714 497 HA ARG 57 HA ARG 57 5.318 -13.554 11.464 498 HB2 ARG 57 1HB ARG 57 5.333 -16.249 10.159 499 HB3 ARG 57 2HB ARG 57 5.818 -15.774 11.799 500 HG2 ARG 57 1HG ARG 57 3.262 -15.019 11.810 501 HG3 ARG 57 2HG ARG 57 3.205 -16.345 10.634 502 HD2 ARG 57 1HD ARG 57 4.037 -16.368 13.461 503 HD3 ARG 57 2HD ARG 57 2.682 -17.141 12.638 504 HE ARG 57 HE ARG 57 5.109 -18.067 11.480 505 HH11 ARG 57 1HH1 ARG 57 3.355 -18.420 14.525 506 HH12 ARG 57 2HH1 ARG 57 4.094 -19.959 14.879 507 HH21 ARG 57 1HH2 ARG 57 6.011 -20.027 11.996 508 HH22 ARG 57 2HH2 ARG 57 5.570 -20.851 13.466 509 H ARG 58 H ARG 58 5.334 -15.004 8.288 510 HA ARG 58 HA ARG 58 8.113 -14.959 7.754 511 HB2 ARG 58 1HB ARG 58 5.729 -14.772 5.917 512 HB3 ARG 58 2HB ARG 58 7.380 -14.699 5.303 513 HG2 ARG 58 1HG ARG 58 7.849 -16.873 6.415 514 HG3 ARG 58 2HG ARG 58 6.121 -16.989 6.827 515 HD2 ARG 58 1HD ARG 58 5.514 -16.898 4.473 516 HD3 ARG 58 2HD ARG 58 7.201 -16.587 4.015 517 HE ARG 58 HE ARG 58 7.102 -19.021 5.462 518 HH11 ARG 58 1HH1 ARG 58 6.127 -17.749 2.313 519 HH12 ARG 58 2HH1 ARG 58 6.263 -19.301 1.537 520 HH21 ARG 58 1HH2 ARG 58 7.256 -20.973 4.401 521 HH22 ARG 58 2HH2 ARG 58 6.891 -21.092 2.702 522 H VAL 59 H VAL 59 5.893 -12.202 7.620 523 HA VAL 59 HA VAL 59 7.641 -10.524 6.060 524 HB VAL 59 HB VAL 59 5.567 -9.780 8.175 525 HG11 VAL 59 1HG1 VAL 59 6.890 -8.067 6.057 526 HG12 VAL 59 2HG1 VAL 59 5.535 -7.577 7.106 527 HG13 VAL 59 3HG1 VAL 59 7.112 -7.944 7.815 528 HG21 VAL 59 3HG2 VAL 59 4.606 -11.028 6.341 529 HG22 VAL 59 1HG2 VAL 59 4.118 -9.329 6.241 530 HG23 VAL 59 2HG2 VAL 59 5.391 -9.955 5.162 531 H GLY 60 H GLY 60 7.267 -11.214 9.527 532 HA2 GLY 60 1HA GLY 60 9.247 -9.254 10.304 533 HA3 GLY 60 2HA GLY 60 8.524 -10.519 11.310 534 H ASP 61 H ASP 61 9.212 -12.719 9.575 535 HA ASP 61 HA ASP 61 11.865 -13.325 10.442 536 HB2 ASP 61 1HB ASP 61 10.304 -14.470 8.077 537 HB3 ASP 61 2HB ASP 61 11.734 -15.202 8.812 538 H CYS 62 H CYS 62 10.492 -12.001 7.432 539 HA CYS 62 HA CYS 62 12.913 -11.850 5.933 540 HB2 CYS 62 1HB CYS 62 10.321 -11.459 5.377 541 HB3 CYS 62 2HB CYS 62 10.774 -9.772 5.618 542 HG CYS 62 HG CYS 62 10.713 -10.151 3.110 543 H PHE 63 H PHE 63 11.309 -9.466 8.116 544 HA PHE 63 HA PHE 63 13.208 -7.359 7.641 545 HB2 PHE 63 1HB PHE 63 11.657 -7.990 10.184 546 HB3 PHE 63 2HB PHE 63 12.523 -6.494 9.872 547 HD1 PHE 63 HD1 PHE 63 11.550 -6.389 6.807 548 HD2 PHE 63 HD2 PHE 63 9.577 -6.813 10.611 549 HE1 PHE 63 HE1 PHE 63 9.502 -5.345 5.861 550 HE2 PHE 63 HE2 PHE 63 7.535 -5.756 9.668 551 HZ PHE 63 HZ PHE 63 7.494 -5.022 7.292 552 H GLN 64 H GLN 64 13.107 -10.121 9.890 553 HA GLN 64 HA GLN 64 15.336 -9.315 11.484 554 HB2 GLN 64 1HB GLN 64 13.671 -11.049 12.129 555 HB3 GLN 64 2HB GLN 64 14.275 -12.089 10.843 556 HG2 GLN 64 1HG GLN 64 16.528 -12.044 11.978 557 HG3 GLN 64 2HG GLN 64 15.741 -11.238 13.343 558 HE21 GLN 64 2HE2 GLN 64 15.669 -14.143 11.284 559 HE22 GLN 64 1HE2 GLN 64 15.012 -15.195 12.517 560 H ASP 65 H ASP 65 15.096 -11.473 8.606 561 HA ASP 65 HA ASP 65 17.888 -12.116 8.677 562 HB2 ASP 65 1HB ASP 65 15.805 -12.241 6.482 563 HB3 ASP 65 2HB ASP 65 17.476 -12.779 6.262 564 H TYR 66 H TYR 66 16.049 -9.540 7.005 565 HA TYR 66 HA TYR 66 18.339 -8.555 5.557 566 HB2 TYR 66 1HB TYR 66 15.808 -8.040 5.260 567 HB3 TYR 66 2HB TYR 66 16.060 -6.814 6.500 568 HD1 TYR 66 HD1 TYR 66 18.186 -5.172 5.998 569 HD2 TYR 66 HD2 TYR 66 16.088 -7.469 3.018 570 HE1 TYR 66 HE1 TYR 66 19.062 -3.672 4.209 571 HE2 TYR 66 HE2 TYR 66 16.952 -5.936 1.247 572 HH TYR 66 HH TYR 66 18.250 -4.116 0.774 573 H PHE 67 H PHE 67 16.988 -7.925 8.808 574 HA PHE 67 HA PHE 67 18.775 -5.764 9.483 575 HB2 PHE 67 1HB PHE 67 16.682 -6.348 10.697 576 HB3 PHE 67 2HB PHE 67 17.448 -7.822 11.288 577 HD1 PHE 67 HD1 PHE 67 19.447 -7.645 12.853 578 HD2 PHE 67 HD2 PHE 67 17.011 -4.263 11.783 579 HE1 PHE 67 HE1 PHE 67 20.317 -6.397 14.822 580 HE2 PHE 67 HE2 PHE 67 17.848 -3.023 13.758 581 HZ PHE 67 HZ PHE 67 19.513 -4.081 15.286 582 H ASN 68 H ASN 68 19.030 -9.333 9.768 583 HA ASN 68 HA ASN 68 21.518 -9.282 11.223 584 HB2 ASN 68 1HB ASN 68 20.283 -11.377 9.384 585 HB3 ASN 68 2HB ASN 68 21.756 -11.635 10.325 586 HD21 ASN 68 2HD2 ASN 68 19.151 -13.003 10.434 587 HD22 ASN 68 1HD2 ASN 68 18.642 -12.852 12.096 588 H THR 69 H THR 69 20.668 -9.084 7.807 589 HA THR 69 HA THR 69 23.363 -9.528 6.844 590 HB THR 69 HB THR 69 20.989 -8.207 5.429 591 HG1 THR 69 HG1 THR 69 20.453 -10.298 6.143 592 HG21 THR 69 1HG2 THR 69 23.494 -9.580 4.376 593 HG22 THR 69 2HG2 THR 69 23.070 -7.859 4.197 594 HG23 THR 69 3HG2 THR 69 22.100 -9.104 3.382 595 H PHE 70 H PHE 70 21.382 -6.587 7.456 596 HA PHE 70 HA PHE 70 23.819 -4.999 6.755 597 HB2 PHE 70 1HB PHE 70 21.126 -5.012 5.676 598 HB3 PHE 70 2HB PHE 70 21.598 -3.416 6.239 599 HD1 PHE 70 HD1 PHE 70 24.366 -3.066 5.644 600 HD2 PHE 70 HD2 PHE 70 21.398 -5.207 3.375 601 HE1 PHE 70 HE1 PHE 70 25.696 -2.698 3.572 602 HE2 PHE 70 HE2 PHE 70 22.721 -4.840 1.296 603 HZ PHE 70 HZ PHE 70 24.873 -3.581 1.390 604 H GLY 71 H GLY 71 21.920 -5.605 9.425 605 HA2 GLY 71 1HA GLY 71 22.160 -4.579 11.470 606 HA3 GLY 71 2HA GLY 71 23.095 -3.291 10.714 607 HA PRO 72 HA PRO 72 18.916 -1.799 12.207 608 HB2 PRO 72 1HB PRO 72 19.786 0.111 13.945 609 HB3 PRO 72 2HB PRO 72 19.702 -1.623 14.391 610 HG2 PRO 72 1HG PRO 72 22.060 -0.058 13.382 611 HG3 PRO 72 2HG PRO 72 21.929 -1.077 14.853 612 HD2 PRO 72 1HD PRO 72 22.987 -2.057 12.588 613 HD3 PRO 72 2HD PRO 72 21.905 -3.074 13.606 614 H GLU 73 H GLU 73 21.556 -0.433 10.538 615 HA GLU 73 HA GLU 73 20.514 2.238 10.190 616 HB2 GLU 73 1HB GLU 73 22.433 0.566 8.560 617 HB3 GLU 73 2HB GLU 73 22.099 2.277 8.262 618 HG2 GLU 73 1HG GLU 73 23.000 2.822 10.489 619 HG3 GLU 73 2HG GLU 73 23.377 1.104 10.741 620 H LYS 74 H LYS 74 19.933 -0.859 8.732 621 HA LYS 74 HA LYS 74 18.636 0.458 6.382 622 HB2 LYS 74 1HB LYS 74 19.963 -2.157 6.909 623 HB3 LYS 74 2HB LYS 74 18.735 -2.066 5.634 624 HG2 LYS 74 1HG LYS 74 20.827 -1.761 4.530 625 HG3 LYS 74 2HG LYS 74 20.106 -0.145 4.614 626 HD2 LYS 74 1HD LYS 74 21.531 0.436 6.502 627 HD3 LYS 74 2HD LYS 74 22.136 -1.220 6.605 628 HE2 LYS 74 1HE LYS 74 23.101 -0.923 4.302 629 HE3 LYS 74 2HE LYS 74 22.656 0.798 4.411 630 HZ1 LYS 74 3HZ LYS 74 24.439 -0.650 6.306 631 HZ2 LYS 74 1HZ LYS 74 24.029 0.939 6.446 632 HZ3 LYS 74 2HZ LYS 74 24.939 0.429 5.166 633 H VAL 75 H VAL 75 18.062 -1.978 8.961 634 HA VAL 75 HA VAL 75 15.142 -1.534 8.388 635 HB VAL 75 HB VAL 75 16.500 -3.915 9.760 636 HG11 VAL 75 1HG1 VAL 75 13.546 -3.388 9.228 637 HG12 VAL 75 2HG1 VAL 75 14.224 -4.912 9.844 638 HG13 VAL 75 3HG1 VAL 75 14.342 -3.436 10.817 639 HG21 VAL 75 3HG2 VAL 75 15.585 -5.250 7.889 640 HG22 VAL 75 1HG2 VAL 75 15.051 -3.752 7.096 641 HG23 VAL 75 2HG2 VAL 75 16.782 -4.056 7.357 642 HA PRO 76 HA PRO 76 16.006 0.278 12.333 643 HB2 PRO 76 1HB PRO 76 13.689 1.499 12.923 644 HB3 PRO 76 2HB PRO 76 14.716 2.068 11.592 645 HG2 PRO 76 1HG PRO 76 12.259 0.391 11.494 646 HG3 PRO 76 2HG PRO 76 12.716 1.780 10.472 647 HD2 PRO 76 1HD PRO 76 13.059 -0.880 9.746 648 HD3 PRO 76 2HD PRO 76 14.048 0.475 9.103 649 H VAL 77 H VAL 77 15.597 -0.140 14.585 650 HA VAL 77 HA VAL 77 14.424 -2.687 15.135 651 HB VAL 77 HB VAL 77 14.749 -2.104 17.532 652 HG11 VAL 77 1HG1 VAL 77 17.196 -1.978 17.439 653 HG12 VAL 77 2HG1 VAL 77 16.595 -3.048 16.156 654 HG13 VAL 77 3HG1 VAL 77 17.135 -1.399 15.759 655 HG21 VAL 77 3HG2 VAL 77 14.243 0.325 17.418 656 HG22 VAL 77 1HG2 VAL 77 15.830 0.024 18.147 657 HG23 VAL 77 2HG2 VAL 77 15.728 0.591 16.468 658 H THR 78 H THR 78 13.035 0.515 14.963 659 HA THR 78 HA THR 78 10.713 -0.092 16.573 660 HB THR 78 HB THR 78 11.229 2.216 16.202 661 HG1 THR 78 HG1 THR 78 9.004 1.668 16.299 662 HG21 THR 78 1HG2 THR 78 10.824 3.253 13.926 663 HG22 THR 78 2HG2 THR 78 11.056 1.621 13.278 664 HG23 THR 78 3HG2 THR 78 12.358 2.420 14.195 665 H ALA 79 H ALA 79 11.656 -0.871 13.290 666 HA ALA 79 HA ALA 79 8.992 -1.199 12.291 667 HB1 ALA 79 3HB ALA 79 10.080 -2.622 10.597 668 HB2 ALA 79 1HB ALA 79 10.879 -1.052 10.835 669 HB3 ALA 79 2HB ALA 79 11.592 -2.522 11.533 670 H PHE 80 H PHE 80 11.144 -3.347 14.155 671 HA PHE 80 HA PHE 80 9.405 -5.642 13.902 672 HB2 PHE 80 1HB PHE 80 11.438 -4.937 16.048 673 HB3 PHE 80 2HB PHE 80 10.694 -6.523 15.814 674 HD1 PHE 80 HD1 PHE 80 11.282 -7.924 13.869 675 HD2 PHE 80 HD2 PHE 80 13.187 -4.139 14.574 676 HE1 PHE 80 HE1 PHE 80 13.071 -8.530 12.264 677 HE2 PHE 80 HE2 PHE 80 14.983 -4.720 12.968 678 HZ PHE 80 HZ PHE 80 14.919 -6.926 11.788 679 H SER 81 H SER 81 9.578 -2.866 16.065 680 HA SER 81 HA SER 81 7.785 -3.919 18.072 681 HB2 SER 81 1HB SER 81 9.307 -2.022 18.518 682 HB3 SER 81 2HB SER 81 8.438 -1.039 17.326 683 HG SER 81 HG SER 81 7.363 -2.134 19.720 684 H TYR 82 H TYR 82 7.383 -1.741 15.247 685 HA TYR 82 HA TYR 82 4.535 -1.502 15.494 686 HB2 TYR 82 1HB TYR 82 6.606 -0.991 13.406 687 HB3 TYR 82 2HB TYR 82 4.945 -1.219 12.841 688 HD1 TYR 82 HD1 TYR 82 7.146 0.933 14.932 689 HD2 TYR 82 HD2 TYR 82 3.205 0.356 13.317 690 HE1 TYR 82 HE1 TYR 82 6.558 3.276 15.551 691 HE2 TYR 82 HE2 TYR 82 2.617 2.723 13.940 692 HH TYR 82 HH TYR 82 4.957 4.920 15.482 693 H TRP 83 H TRP 83 6.651 -3.793 13.737 694 HA TRP 83 HA TRP 83 4.626 -5.141 12.333 695 HB2 TRP 83 1HB TRP 83 7.020 -5.499 11.959 696 HB3 TRP 83 2HB TRP 83 7.209 -6.133 13.586 697 HD1 TRP 83 HD1 TRP 83 5.627 -7.137 10.231 698 HE1 TRP 83 HE1 TRP 83 5.417 -9.670 10.118 699 HE3 TRP 83 HE3 TRP 83 7.110 -8.198 15.017 700 HZ2 TRP 83 HZ2 TRP 83 5.957 -11.853 11.828 701 HZ3 TRP 83 HZ3 TRP 83 7.290 -10.581 15.710 702 HH2 TRP 83 HH2 TRP 83 6.720 -12.403 14.106 703 H ASN 84 H ASN 84 5.777 -5.551 15.663 704 HA ASN 84 HA ASN 84 4.287 -7.948 16.207 705 HB2 ASN 84 1HB ASN 84 5.785 -5.921 17.806 706 HB3 ASN 84 2HB ASN 84 4.589 -6.899 18.664 707 HD21 ASN 84 2HD2 ASN 84 7.762 -6.749 17.705 708 HD22 ASN 84 1HD2 ASN 84 8.159 -8.443 17.879 709 H LEU 85 H LEU 85 3.509 -4.505 16.413 710 HA LEU 85 HA LEU 85 1.138 -4.718 17.976 711 HB2 LEU 85 1HB LEU 85 2.396 -2.658 17.431 712 HB3 LEU 85 2HB LEU 85 1.896 -2.780 15.763 713 HG LEU 85 HG LEU 85 -0.126 -2.398 17.948 714 HD11 LEU 85 1HD1 LEU 85 0.110 0.049 17.444 715 HD12 LEU 85 2HD1 LEU 85 1.559 -0.323 16.487 716 HD13 LEU 85 3HD1 LEU 85 1.535 -0.652 18.238 717 HD21 LEU 85 3HD2 LEU 85 -1.362 -1.238 16.090 718 HD22 LEU 85 1HD2 LEU 85 -1.066 -2.947 15.749 719 HD23 LEU 85 2HD2 LEU 85 -0.062 -1.705 14.971 720 H ILE 86 H ILE 86 1.672 -4.924 14.414 721 HA ILE 86 HA ILE 86 -1.172 -5.404 13.942 722 HB ILE 86 HB ILE 86 1.235 -5.770 12.087 723 HG12 ILE 86 1HG1 ILE 86 -0.146 -3.811 10.932 724 HG13 ILE 86 2HG1 ILE 86 -0.762 -3.547 12.563 725 HG21 ILE 86 1HG2 ILE 86 -0.512 -5.865 10.280 726 HG22 ILE 86 2HG2 ILE 86 -0.558 -7.253 11.371 727 HG23 ILE 86 3HG2 ILE 86 -1.767 -5.962 11.554 728 HD11 ILE 86 3HD1 ILE 86 1.251 -2.154 11.809 729 HD12 ILE 86 1HD1 ILE 86 1.386 -2.962 13.379 730 HD13 ILE 86 2HD1 ILE 86 2.212 -3.643 11.958 731 H LYS 87 H LYS 87 1.731 -7.334 14.499 732 HA LYS 87 HA LYS 87 0.834 -9.835 13.562 733 HB2 LYS 87 1HB LYS 87 3.130 -9.215 14.421 734 HB3 LYS 87 2HB LYS 87 2.474 -9.283 16.051 735 HG2 LYS 87 1HG LYS 87 1.877 -11.705 15.555 736 HG3 LYS 87 2HG LYS 87 2.928 -11.530 14.127 737 HD2 LYS 87 1HD LYS 87 4.590 -12.087 15.602 738 HD3 LYS 87 2HD LYS 87 4.485 -10.382 16.038 739 HE2 LYS 87 1HE LYS 87 2.829 -10.951 17.819 740 HE3 LYS 87 2HE LYS 87 3.034 -12.673 17.429 741 HZ1 LYS 87 3HZ LYS 87 5.191 -10.851 18.345 742 HZ2 LYS 87 1HZ LYS 87 5.368 -12.461 18.025 743 HZ3 LYS 87 2HZ LYS 87 4.427 -11.971 19.290 744 H GLU 88 H GLU 88 0.438 -8.406 16.860 745 HA GLU 88 HA GLU 88 -1.165 -10.666 17.707 746 HB2 GLU 88 1HB GLU 88 -1.668 -9.344 19.682 747 HB3 GLU 88 2HB GLU 88 0.061 -9.321 19.323 748 HG2 GLU 88 1HG GLU 88 -0.116 -7.084 18.401 749 HG3 GLU 88 2HG GLU 88 -1.869 -7.101 18.616 750 H LEU 89 H LEU 89 -1.913 -7.646 16.022 751 HA LEU 89 HA LEU 89 -4.719 -7.694 16.610 752 HB2 LEU 89 1HB LEU 89 -3.068 -6.384 14.485 753 HB3 LEU 89 2HB LEU 89 -4.818 -6.373 14.382 754 HG LEU 89 HG LEU 89 -3.258 -5.261 16.734 755 HD11 LEU 89 1HD1 LEU 89 -4.564 -3.808 14.399 756 HD12 LEU 89 2HD1 LEU 89 -2.816 -4.024 14.633 757 HD13 LEU 89 3HD1 LEU 89 -3.752 -3.055 15.788 758 HD21 LEU 89 3HD2 LEU 89 -5.542 -5.880 17.370 759 HD22 LEU 89 1HD2 LEU 89 -6.197 -5.027 15.954 760 HD23 LEU 89 2HD2 LEU 89 -5.415 -4.115 17.262 761 H ILE 90 H ILE 90 -2.802 -9.142 13.948 762 HA ILE 90 HA ILE 90 -5.221 -10.158 12.656 763 HB ILE 90 HB ILE 90 -2.339 -11.137 12.317 764 HG12 ILE 90 1HG1 ILE 90 -3.871 -9.230 10.508 765 HG13 ILE 90 2HG1 ILE 90 -2.774 -8.668 11.769 766 HG21 ILE 90 1HG2 ILE 90 -4.028 -12.772 11.501 767 HG22 ILE 90 2HG2 ILE 90 -4.855 -11.492 10.586 768 HG23 ILE 90 3HG2 ILE 90 -3.222 -12.022 10.113 769 HD11 ILE 90 3HD1 ILE 90 -1.582 -8.675 9.655 770 HD12 ILE 90 1HD1 ILE 90 -0.907 -9.951 10.689 771 HD13 ILE 90 2HD1 ILE 90 -2.011 -10.372 9.357 772 H ASP 91 H ASP 91 -2.804 -11.366 14.971 773 HA ASP 91 HA ASP 91 -3.651 -14.101 14.981 774 HB2 ASP 91 1HB ASP 91 -1.493 -13.093 15.867 775 HB3 ASP 91 2HB ASP 91 -2.413 -12.549 17.276 776 H LYS 92 H LYS 92 -5.069 -11.256 16.348 777 HA LYS 92 HA LYS 92 -7.072 -12.957 17.769 778 HB2 LYS 92 1HB LYS 92 -5.795 -10.379 18.771 779 HB3 LYS 92 2HB LYS 92 -7.183 -11.158 19.529 780 HG2 LYS 92 1HG LYS 92 -4.498 -12.526 19.190 781 HG3 LYS 92 2HG LYS 92 -4.959 -11.618 20.636 782 HD2 LYS 92 1HD LYS 92 -6.706 -13.129 21.189 783 HD3 LYS 92 2HD LYS 92 -6.701 -13.875 19.584 784 HE2 LYS 92 1HE LYS 92 -4.347 -14.057 21.487 785 HE3 LYS 92 2HE LYS 92 -5.657 -15.256 21.415 786 HZ1 LYS 92 3HZ LYS 92 -3.628 -14.647 19.370 787 HZ2 LYS 92 1HZ LYS 92 -5.078 -15.271 18.901 788 HZ3 LYS 92 2HZ LYS 92 -4.110 -16.109 19.948 789 H LYS 93 H LYS 93 -7.162 -11.926 15.109 790 HA LYS 93 HA LYS 93 -8.655 -9.482 14.956 791 HB2 LYS 93 1HB LYS 93 -9.270 -10.240 12.695 792 HB3 LYS 93 2HB LYS 93 -7.541 -10.407 13.021 793 HG2 LYS 93 1HG LYS 93 -7.916 -12.823 13.515 794 HG3 LYS 93 2HG LYS 93 -9.600 -12.634 13.011 795 HD2 LYS 93 1HD LYS 93 -9.003 -12.259 10.777 796 HD3 LYS 93 2HD LYS 93 -7.331 -11.829 11.195 797 HE2 LYS 93 1HE LYS 93 -7.597 -14.120 10.175 798 HE3 LYS 93 2HE LYS 93 -6.775 -14.074 11.744 799 HZ1 LYS 93 3HZ LYS 93 -8.446 -15.856 11.597 800 HZ2 LYS 93 1HZ LYS 93 -9.645 -14.742 11.405 801 HZ3 LYS 93 2HZ LYS 93 -8.794 -14.808 12.820 802 H GLU 94 H GLU 94 -9.576 -12.790 15.693 803 HA GLU 94 HA GLU 94 -12.370 -12.478 15.085 804 HB2 GLU 94 1HB GLU 94 -12.472 -14.479 16.854 805 HB3 GLU 94 2HB GLU 94 -11.968 -14.691 15.181 806 HG2 GLU 94 1HG GLU 94 -9.988 -14.239 17.436 807 HG3 GLU 94 2HG GLU 94 -10.562 -15.847 16.962 808 H VAL 95 H VAL 95 -10.534 -11.372 17.822 809 HA VAL 95 HA VAL 95 -13.124 -10.815 19.225 810 HB VAL 95 HB VAL 95 -11.807 -10.515 21.302 811 HG11 VAL 95 1HG1 VAL 95 -11.307 -13.221 19.977 812 HG12 VAL 95 2HG1 VAL 95 -11.361 -12.886 21.725 813 HG13 VAL 95 3HG1 VAL 95 -12.830 -12.715 20.741 814 HG21 VAL 95 3HG2 VAL 95 -9.631 -9.899 20.260 815 HG22 VAL 95 1HG2 VAL 95 -9.471 -11.213 21.438 816 HG23 VAL 95 2HG2 VAL 95 -9.442 -11.578 19.699 817 H ASN 96 H ASN 96 -11.223 -9.508 17.041 818 HA ASN 96 HA ASN 96 -11.660 -6.723 18.076 819 HB2 ASN 96 1HB ASN 96 -9.254 -7.913 16.656 820 HB3 ASN 96 2HB ASN 96 -9.640 -6.191 16.535 821 HD21 ASN 96 2HD2 ASN 96 -8.328 -8.681 18.498 822 HD22 ASN 96 1HD2 ASN 96 -7.875 -7.641 19.837 823 HA PRO 97 HA PRO 97 -13.747 -7.926 14.147 824 HB2 PRO 97 1HB PRO 97 -16.068 -6.481 14.420 825 HB3 PRO 97 2HB PRO 97 -15.816 -8.095 15.159 826 HG2 PRO 97 1HG PRO 97 -15.435 -5.378 16.417 827 HG3 PRO 97 2HG PRO 97 -16.388 -6.776 17.020 828 HD2 PRO 97 1HD PRO 97 -13.904 -6.341 17.918 829 HD3 PRO 97 2HD PRO 97 -14.443 -8.016 17.535 830 H GLN 98 H GLN 98 -12.999 -4.783 15.506 831 HA GLN 98 HA GLN 98 -13.627 -3.272 13.132 832 HB2 GLN 98 1HB GLN 98 -12.628 -1.435 14.168 833 HB3 GLN 98 2HB GLN 98 -13.380 -2.336 15.475 834 HG2 GLN 98 1HG GLN 98 -10.400 -2.432 14.823 835 HG3 GLN 98 2HG GLN 98 -11.120 -1.327 15.979 836 HE21 GLN 98 2HE2 GLN 98 -9.207 -2.750 17.020 837 HE22 GLN 98 1HE2 GLN 98 -9.793 -4.092 17.989 838 H VAL 99 H VAL 99 -10.768 -5.055 14.285 839 HA VAL 99 HA VAL 99 -9.266 -4.097 11.953 840 HB VAL 99 HB VAL 99 -8.238 -4.572 14.304 841 HG11 VAL 99 1HG1 VAL 99 -7.316 -6.774 14.641 842 HG12 VAL 99 2HG1 VAL 99 -9.060 -6.945 14.405 843 HG13 VAL 99 3HG1 VAL 99 -7.949 -7.347 13.083 844 HG21 VAL 99 3HG2 VAL 99 -6.898 -5.526 11.740 845 HG22 VAL 99 1HG2 VAL 99 -7.003 -3.841 12.305 846 HG23 VAL 99 2HG2 VAL 99 -6.072 -5.032 13.231 847 H MET 100 H MET 100 -11.159 -6.928 12.941 848 HA MET 100 HA MET 100 -10.238 -8.718 10.937 849 HB2 MET 100 1HB MET 100 -11.692 -9.461 12.719 850 HB3 MET 100 2HB MET 100 -12.973 -8.366 12.206 851 HG2 MET 100 1HG MET 100 -13.440 -10.697 11.587 852 HG3 MET 100 2HG MET 100 -13.333 -9.632 10.178 853 HE1 MET 100 3HE MET 100 -12.242 -10.223 8.150 854 HE2 MET 100 1HE MET 100 -11.361 -11.753 7.910 855 HE3 MET 100 2HE MET 100 -13.048 -11.776 8.481 856 H ALA 101 H ALA 101 -12.805 -6.201 10.810 857 HA ALA 101 HA ALA 101 -13.516 -6.759 8.096 858 HB1 ALA 101 3HB ALA 101 -14.932 -5.403 9.580 859 HB2 ALA 101 1HB ALA 101 -13.661 -4.164 9.699 860 HB3 ALA 101 2HB ALA 101 -14.478 -4.456 8.144 861 H ALA 102 H ALA 102 -10.830 -4.971 9.544 862 HA ALA 102 HA ALA 102 -10.110 -3.605 7.085 863 HB1 ALA 102 3HB ALA 102 -8.454 -4.073 9.608 864 HB2 ALA 102 1HB ALA 102 -8.123 -2.894 8.329 865 HB3 ALA 102 2HB ALA 102 -9.559 -2.702 9.358 866 H VAL 103 H VAL 103 -9.352 -6.719 8.629 867 HA VAL 103 HA VAL 103 -7.046 -7.366 7.037 868 HB VAL 103 HB VAL 103 -9.185 -9.237 8.218 869 HG11 VAL 103 1HG1 VAL 103 -7.968 -10.408 6.451 870 HG12 VAL 103 2HG1 VAL 103 -6.417 -9.889 7.140 871 HG13 VAL 103 3HG1 VAL 103 -7.452 -11.021 8.035 872 HG21 VAL 103 3HG2 VAL 103 -7.624 -9.611 10.050 873 HG22 VAL 103 1HG2 VAL 103 -6.433 -8.528 9.299 874 HG23 VAL 103 2HG2 VAL 103 -7.965 -7.887 9.909 875 H ALA 104 H ALA 104 -10.552 -7.982 6.644 876 HA ALA 104 HA ALA 104 -10.311 -9.246 4.096 877 HB1 ALA 104 3HB ALA 104 -12.748 -8.786 3.904 878 HB2 ALA 104 1HB ALA 104 -12.329 -9.450 5.501 879 HB3 ALA 104 2HB ALA 104 -12.654 -7.708 5.316 880 H GLN 105 H GLN 105 -10.997 -5.823 4.997 881 HA GLN 105 HA GLN 105 -11.293 -4.924 2.315 882 HB2 GLN 105 1HB GLN 105 -10.523 -3.560 4.899 883 HB3 GLN 105 2HB GLN 105 -10.533 -2.681 3.358 884 HG2 GLN 105 1HG GLN 105 -12.896 -3.291 3.016 885 HG3 GLN 105 2HG GLN 105 -12.906 -4.125 4.573 886 HE21 GLN 105 2HE2 GLN 105 -14.766 -2.423 4.582 887 HE22 GLN 105 1HE2 GLN 105 -14.354 -0.902 5.343 888 H THR 106 H THR 106 -8.306 -5.278 4.324 889 HA THR 106 HA THR 106 -6.734 -3.849 2.374 890 HB THR 106 HB THR 106 -5.730 -5.927 4.349 891 HG1 THR 106 HG1 THR 106 -6.898 -4.379 5.466 892 HG21 THR 106 1HG2 THR 106 -4.461 -3.501 3.025 893 HG22 THR 106 2HG2 THR 106 -4.043 -5.203 2.724 894 HG23 THR 106 3HG2 THR 106 -3.711 -4.471 4.304 895 H GLU 107 H GLU 107 -7.654 -7.291 2.839 896 HA GLU 107 HA GLU 107 -5.969 -8.329 0.773 897 HB2 GLU 107 1HB GLU 107 -8.603 -9.211 1.960 898 HB3 GLU 107 2HB GLU 107 -7.923 -10.007 0.553 899 HG2 GLU 107 1HG GLU 107 -5.797 -10.312 1.910 900 HG3 GLU 107 2HG GLU 107 -6.765 -9.853 3.319 901 H GLU 108 H GLU 108 -9.234 -6.840 0.639 902 HA GLU 108 HA GLU 108 -9.666 -7.409 -2.154 903 HB2 GLU 108 1HB GLU 108 -10.724 -5.212 -0.339 904 HB3 GLU 108 2HB GLU 108 -11.289 -5.478 -1.988 905 HG2 GLU 108 1HG GLU 108 -12.123 -7.684 -1.401 906 HG3 GLU 108 2HG GLU 108 -11.469 -7.531 0.234 907 H ILE 109 H ILE 109 -8.387 -4.548 -0.423 908 HA ILE 109 HA ILE 109 -8.025 -2.934 -2.759 909 HB ILE 109 HB ILE 109 -6.608 -2.855 -0.044 910 HG12 ILE 109 1HG1 ILE 109 -8.759 -0.958 -1.024 911 HG13 ILE 109 2HG1 ILE 109 -9.202 -2.501 -0.304 912 HG21 ILE 109 1HG2 ILE 109 -6.104 -0.436 -0.661 913 HG22 ILE 109 2HG2 ILE 109 -5.233 -1.623 -1.641 914 HG23 ILE 109 3HG2 ILE 109 -6.651 -0.796 -2.316 915 HD11 ILE 109 3HD1 ILE 109 -7.843 -1.857 1.748 916 HD12 ILE 109 1HD1 ILE 109 -7.699 -0.229 1.041 917 HD13 ILE 109 2HD1 ILE 109 -9.299 -0.889 1.452 918 H LEU 110 H LEU 110 -5.892 -5.286 -1.114 919 HA LEU 110 HA LEU 110 -3.535 -4.653 -2.592 920 HB2 LEU 110 1HB LEU 110 -4.546 -6.895 -0.936 921 HB3 LEU 110 2HB LEU 110 -3.295 -7.322 -2.092 922 HG LEU 110 HG LEU 110 -1.689 -5.993 -1.073 923 HD11 LEU 110 1HD1 LEU 110 -2.697 -3.861 -0.717 924 HD12 LEU 110 2HD1 LEU 110 -2.158 -4.436 0.869 925 HD13 LEU 110 3HD1 LEU 110 -3.870 -4.529 0.429 926 HD21 LEU 110 3HD2 LEU 110 -1.707 -6.751 1.270 927 HD22 LEU 110 1HD2 LEU 110 -2.278 -8.023 0.170 928 HD23 LEU 110 2HD2 LEU 110 -3.448 -7.094 1.133 929 H LYS 111 H LYS 111 -6.259 -6.857 -3.360 930 HA LYS 111 HA LYS 111 -4.951 -7.926 -5.716 931 HB2 LYS 111 1HB LYS 111 -7.826 -7.822 -4.835 932 HB3 LYS 111 2HB LYS 111 -7.243 -8.717 -6.250 933 HG2 LYS 111 1HG LYS 111 -5.885 -10.151 -4.880 934 HG3 LYS 111 2HG LYS 111 -6.205 -9.165 -3.438 935 HD2 LYS 111 1HD LYS 111 -8.592 -9.609 -3.704 936 HD3 LYS 111 2HD LYS 111 -8.205 -10.710 -5.044 937 HE2 LYS 111 1HE LYS 111 -8.178 -12.285 -3.382 938 HE3 LYS 111 2HE LYS 111 -6.533 -11.676 -3.129 939 HZ1 LYS 111 3HZ LYS 111 -7.570 -10.061 -1.543 940 HZ2 LYS 111 1HZ LYS 111 -7.596 -11.633 -1.048 941 HZ3 LYS 111 2HZ LYS 111 -8.971 -10.931 -1.638 942 H SER 112 H SER 112 -6.746 -5.019 -5.029 943 HA SER 112 HA SER 112 -7.393 -4.489 -7.846 944 HB2 SER 112 1HB SER 112 -8.798 -3.732 -5.890 945 HB3 SER 112 2HB SER 112 -7.493 -2.618 -5.446 946 HG SER 112 HG SER 112 -7.715 -1.848 -7.711 947 H ASN 113 H ASN 113 -4.759 -4.006 -5.677 948 HA ASN 113 HA ASN 113 -3.656 -1.675 -7.083 949 HB2 ASN 113 1HB ASN 113 -2.691 -3.453 -4.817 950 HB3 ASN 113 2HB ASN 113 -1.654 -2.226 -5.550 951 HD21 ASN 113 2HD2 ASN 113 -2.556 -2.344 -2.833 952 HD22 ASN 113 1HD2 ASN 113 -3.436 -0.858 -2.563 953 H SER 114 H SER 114 -1.356 -1.765 -7.837 954 HA SER 114 HA SER 114 -0.525 -4.393 -8.921 955 HB2 SER 114 1HB SER 114 -1.883 -3.318 -10.709 956 HB3 SER 114 2HB SER 114 -0.848 -1.877 -10.614 957 HG SER 114 HG SER 114 -0.330 -3.498 -12.283 958 H GLN 115 H GLN 115 1.744 -4.257 -9.682 959 HA GLN 115 HA GLN 115 3.263 -2.026 -8.391 960 HB2 GLN 115 1HB GLN 115 3.920 -4.999 -8.328 961 HB3 GLN 115 2HB GLN 115 5.026 -3.713 -7.834 962 HG2 GLN 115 1HG GLN 115 3.338 -2.999 -6.120 963 HG3 GLN 115 2HG GLN 115 2.398 -4.445 -6.529 964 HE21 GLN 115 2HE2 GLN 115 2.991 -6.383 -5.706 965 HE22 GLN 115 1HE2 GLN 115 4.379 -6.634 -4.669 966 H THR 116 H THR 116 2.492 -1.813 -10.938 967 HA THR 116 HA THR 116 4.850 -2.674 -12.560 968 HB THR 116 HB THR 116 2.567 -3.419 -13.405 969 HG1 THR 116 HG1 THR 116 3.580 -1.539 -15.246 970 HG21 THR 116 1HG2 THR 116 2.147 -0.447 -13.951 971 HG22 THR 116 2HG2 THR 116 1.277 -1.386 -12.715 972 HG23 THR 116 3HG2 THR 116 1.083 -1.782 -14.435 973 H ASP 117 H ASP 117 5.588 -1.041 -14.101 974 HA ASP 117 HA ASP 117 6.499 0.976 -14.563 975 HB2 ASP 117 1HB ASP 117 3.782 2.021 -13.708 976 HB3 ASP 117 2HB ASP 117 4.938 2.820 -14.782 977 H LEU 118 H LEU 118 6.777 0.070 -11.701 978 HA LEU 118 HA LEU 118 6.526 2.425 -10.077 979 HB2 LEU 118 1HB LEU 118 8.309 0.050 -9.613 980 HB3 LEU 118 2HB LEU 118 7.851 1.237 -8.421 981 HG LEU 118 HG LEU 118 5.984 -0.787 -9.702 982 HD11 LEU 118 1HD1 LEU 118 5.966 -1.741 -7.397 983 HD12 LEU 118 2HD1 LEU 118 7.214 -0.569 -6.921 984 HD13 LEU 118 3HD1 LEU 118 7.568 -1.806 -8.152 985 HD21 LEU 118 3HD2 LEU 118 5.479 1.313 -7.550 986 HD22 LEU 118 1HD2 LEU 118 4.369 -0.018 -7.951 987 HD23 LEU 118 2HD2 LEU 118 4.726 1.224 -9.162 988 H GLU 119 H GLU 119 7.820 3.995 -9.692 989 HA GLU 119 HA GLU 119 10.685 3.918 -10.295 990 HB2 GLU 119 1HB GLU 119 10.604 5.896 -11.742 991 HB3 GLU 119 2HB GLU 119 9.800 4.510 -12.486 992 HG2 GLU 119 1HG GLU 119 7.603 5.431 -11.936 993 HG3 GLU 119 2HG GLU 119 8.362 6.784 -11.079 994 H HIS 120 H HIS 120 11.641 6.113 -9.608 995 HA HIS 120 HA HIS 120 9.983 7.290 -7.427 996 HB2 HIS 120 1HB HIS 120 11.994 6.994 -5.893 997 HB3 HIS 120 2HB HIS 120 11.065 5.554 -6.307 998 HD1 HIS 120 HD1 HIS 120 14.390 7.245 -7.162 999 HD2 HIS 120 HD2 HIS 120 12.477 3.531 -7.543 1000 HE1 HIS 120 HE1 HIS 120 16.147 5.579 -7.993 1001 H HIS 121 H HIS 121 10.449 8.785 -9.690 1002 HA HIS 121 HA HIS 121 12.710 10.584 -9.012 1003 HB2 HIS 121 1HB HIS 121 11.974 11.902 -10.996 1004 HB3 HIS 121 2HB HIS 121 12.417 10.231 -11.352 1005 HD1 HIS 121 HD1 HIS 121 9.314 12.455 -11.028 1006 HD2 HIS 121 HD2 HIS 121 10.450 8.726 -12.572 1007 HE1 HIS 121 HE1 HIS 121 7.330 11.555 -12.381 1008 H HIS 122 H HIS 122 11.122 10.500 -6.841 1009 HA HIS 122 HA HIS 122 10.129 13.277 -6.714 1010 HB2 HIS 122 1HB HIS 122 8.176 11.742 -7.425 1011 HB3 HIS 122 2HB HIS 122 8.324 10.989 -5.831 1012 HD1 HIS 122 HD1 HIS 122 7.137 14.124 -7.581 1013 HD2 HIS 122 HD2 HIS 122 7.431 12.629 -3.673 1014 HE1 HIS 122 HE1 HIS 122 5.744 15.656 -6.093 1015 H HIS 123 H HIS 123 10.386 14.093 -4.608 1016 HA HIS 123 HA HIS 123 11.395 12.130 -2.572 1017 HB2 HIS 123 1HB HIS 123 12.507 14.628 -3.561 1018 HB3 HIS 123 2HB HIS 123 12.139 14.766 -1.837 1019 HD1 HIS 123 HD1 HIS 123 13.348 12.984 -0.180 1020 HD2 HIS 123 HD2 HIS 123 14.775 13.123 -4.142 1021 HE1 HIS 123 HE1 HIS 123 15.608 11.812 -0.209 1022 H HIS 124 H HIS 124 10.535 12.220 -0.544 1023 HA HIS 124 HA HIS 124 8.796 14.396 0.356 1024 HB2 HIS 124 1HB HIS 124 7.181 12.978 -0.965 1025 HB3 HIS 124 2HB HIS 124 7.686 11.564 -0.032 1026 HD1 HIS 124 HD1 HIS 124 5.583 11.020 1.300 1027 HD2 HIS 124 HD2 HIS 124 6.629 15.083 1.506 1028 HE1 HIS 124 HE1 HIS 124 4.017 12.106 2.987 1029 H HIS 125 H HIS 125 10.101 14.596 2.118 1030 HA HIS 125 HA HIS 125 11.593 14.102 3.798 1031 HB2 HIS 125 1HB HIS 125 9.696 12.501 4.637 1032 HB3 HIS 125 2HB HIS 125 10.650 11.218 3.881 1033 HD1 HIS 125 HD1 HIS 125 13.398 11.422 4.704 1034 HD2 HIS 125 HD2 HIS 125 10.350 12.717 7.282 1035 HE1 HIS 125 HE1 HIS 125 14.364 11.409 7.084 Start of MODEL 14 1 H21 MYR 1 1H2 MYR 1 0.372 0.075 -1.398 2 H22 MYR 1 2H2 MYR 1 1.828 -0.230 -0.468 3 H31 MYR 1 1H3 MYR 1 -0.746 -1.916 -0.409 4 H32 MYR 1 2H3 MYR 1 0.779 -2.367 -1.167 5 H41 MYR 1 1H4 MYR 1 1.816 -2.069 1.263 6 H42 MYR 1 2H4 MYR 1 0.144 -2.125 1.820 7 H51 MYR 1 1H5 MYR 1 -0.111 -4.404 0.722 8 H52 MYR 1 2H5 MYR 1 1.552 -4.284 0.174 9 H61 MYR 1 1H6 MYR 1 1.821 -5.574 2.102 10 H62 MYR 1 2H6 MYR 1 2.193 -3.969 2.693 11 H71 MYR 1 1H7 MYR 1 -0.549 -4.039 3.189 12 H72 MYR 1 2H7 MYR 1 -0.185 -5.754 3.256 13 H81 MYR 1 1H8 MYR 1 1.840 -4.845 4.855 14 H82 MYR 1 2H8 MYR 1 0.753 -3.491 5.059 15 H91 MYR 1 1H9 MYR 1 0.495 -5.101 6.879 16 H92 MYR 1 2H9 MYR 1 0.220 -6.430 5.762 17 H101 MYR 1 1H10 MYR 1 -1.964 -5.602 5.151 18 H102 MYR 1 2H10 MYR 1 -1.684 -4.039 5.903 19 H111 MYR 1 1H11 MYR 1 -1.898 -6.721 7.393 20 H112 MYR 1 2H11 MYR 1 -1.565 -5.164 8.160 21 H121 MYR 1 1H12 MYR 1 -3.772 -4.293 7.237 22 H122 MYR 1 2H12 MYR 1 -4.112 -5.903 6.613 23 H131 MYR 1 1H13 MYR 1 -4.081 -6.846 8.914 24 H132 MYR 1 2H13 MYR 1 -3.607 -5.285 9.587 25 H141 MYR 1 1H14 MYR 1 -5.744 -4.279 9.012 26 H142 MYR 1 2H14 MYR 1 -6.197 -5.660 8.001 27 H143 MYR 1 3H14 MYR 1 -6.106 -5.848 9.753 28 H GLY 2 H GLY 2 1.939 0.314 1.662 29 HA2 GLY 2 1HA GLY 2 -0.165 0.963 3.426 30 HA3 GLY 2 2HA GLY 2 1.517 1.486 3.599 31 H GLN 3 H GLN 3 1.633 2.996 1.120 32 HA GLN 3 HA GLN 3 0.618 5.470 2.178 33 HB2 GLN 3 1HB GLN 3 1.698 4.785 -0.582 34 HB3 GLN 3 2HB GLN 3 1.357 6.424 -0.003 35 HG2 GLN 3 1HG GLN 3 2.987 6.053 1.867 36 HG3 GLN 3 2HG GLN 3 3.393 4.490 1.158 37 HE21 GLN 3 2HE2 GLN 3 5.199 4.482 -0.008 38 HE22 GLN 3 1HE2 GLN 3 5.843 5.871 -0.871 39 H GLU 4 H GLU 4 -0.572 3.286 -0.433 40 HA GLU 4 HA GLU 4 -2.755 5.123 -1.036 41 HB2 GLU 4 1HB GLU 4 -3.505 3.558 -2.586 42 HB3 GLU 4 2HB GLU 4 -1.753 3.578 -2.719 43 HG2 GLU 4 1HG GLU 4 -1.552 1.437 -1.749 44 HG3 GLU 4 2HG GLU 4 -3.213 1.459 -1.134 45 H LEU 5 H LEU 5 -2.224 2.498 1.251 46 HA LEU 5 HA LEU 5 -5.015 1.983 1.751 47 HB2 LEU 5 1HB LEU 5 -2.506 1.563 3.379 48 HB3 LEU 5 2HB LEU 5 -4.095 1.191 4.020 49 HG LEU 5 HG LEU 5 -2.957 -0.062 1.504 50 HD11 LEU 5 1HD1 LEU 5 -2.554 -2.053 2.870 51 HD12 LEU 5 2HD1 LEU 5 -3.132 -1.198 4.319 52 HD13 LEU 5 3HD1 LEU 5 -1.640 -0.671 3.501 53 HD21 LEU 5 3HD2 LEU 5 -5.419 -0.094 1.587 54 HD22 LEU 5 1HD2 LEU 5 -5.359 -0.857 3.191 55 HD23 LEU 5 2HD2 LEU 5 -4.739 -1.716 1.763 56 H SER 6 H SER 6 -2.657 4.303 3.199 57 HA SER 6 HA SER 6 -4.590 5.472 4.996 58 HB2 SER 6 1HB SER 6 -2.887 7.521 4.519 59 HB3 SER 6 2HB SER 6 -2.524 6.181 5.622 60 HG SER 6 HG SER 6 -1.788 6.292 2.866 61 H GLN 7 H GLN 7 -4.312 5.627 1.576 62 HA GLN 7 HA GLN 7 -5.669 8.257 1.399 63 HB2 GLN 7 1HB GLN 7 -3.773 7.449 -0.126 64 HB3 GLN 7 2HB GLN 7 -4.933 6.307 -0.802 65 HG2 GLN 7 1HG GLN 7 -6.385 8.286 -1.392 66 HG3 GLN 7 2HG GLN 7 -5.019 9.321 -0.939 67 HE21 GLN 7 2HE2 GLN 7 -6.183 6.856 -3.134 68 HE22 GLN 7 1HE2 GLN 7 -4.971 7.085 -4.368 69 H HIS 8 H HIS 8 -6.310 4.815 1.341 70 HA HIS 8 HA HIS 8 -8.842 5.002 -0.085 71 HB2 HIS 8 1HB HIS 8 -7.187 3.001 0.204 72 HB3 HIS 8 2HB HIS 8 -8.018 2.701 1.707 73 HD1 HIS 8 HD1 HIS 8 -8.515 2.683 -2.079 74 HD2 HIS 8 HD2 HIS 8 -10.585 1.548 1.398 75 HE1 HIS 8 HE1 HIS 8 -10.496 1.287 -2.824 76 H GLU 9 H GLU 9 -10.115 6.508 1.012 77 HA GLU 9 HA GLU 9 -10.408 6.943 3.679 78 HB2 GLU 9 1HB GLU 9 -12.632 6.902 1.623 79 HB3 GLU 9 2HB GLU 9 -12.723 7.695 3.199 80 HG2 GLU 9 1HG GLU 9 -10.845 9.163 2.563 81 HG3 GLU 9 2HG GLU 9 -10.794 8.390 0.966 82 H ARG 10 H ARG 10 -12.222 4.363 1.963 83 HA ARG 10 HA ARG 10 -13.899 3.791 4.231 84 HB2 ARG 10 1HB ARG 10 -13.257 2.386 1.648 85 HB3 ARG 10 2HB ARG 10 -14.160 1.534 2.906 86 HG2 ARG 10 1HG ARG 10 -15.739 2.526 1.341 87 HG3 ARG 10 2HG ARG 10 -15.877 3.347 2.905 88 HD2 ARG 10 1HD ARG 10 -14.614 5.251 2.097 89 HD3 ARG 10 2HD ARG 10 -14.252 4.424 0.570 90 HE ARG 10 HE ARG 10 -17.038 4.535 0.762 91 HH11 ARG 10 1HH1 ARG 10 -14.426 6.908 0.641 92 HH12 ARG 10 2HH1 ARG 10 -15.401 8.102 -0.145 93 HH21 ARG 10 1HH2 ARG 10 -18.243 6.122 -0.253 94 HH22 ARG 10 2HH2 ARG 10 -17.527 7.664 -0.636 95 H TYR 11 H TYR 11 -10.674 2.800 3.415 96 HA TYR 11 HA TYR 11 -10.657 0.586 5.360 97 HB2 TYR 11 1HB TYR 11 -9.303 0.491 3.310 98 HB3 TYR 11 2HB TYR 11 -8.453 1.961 3.780 99 HD1 TYR 11 HD1 TYR 11 -9.228 -1.459 5.151 100 HD2 TYR 11 HD2 TYR 11 -6.392 1.754 4.835 101 HE1 TYR 11 HE1 TYR 11 -7.549 -2.798 6.395 102 HE2 TYR 11 HE2 TYR 11 -4.717 0.379 6.060 103 HH TYR 11 HH TYR 11 -4.265 -1.599 7.051 104 H VAL 12 H VAL 12 -9.457 3.902 4.930 105 HA VAL 12 HA VAL 12 -8.184 4.236 7.446 106 HB VAL 12 HB VAL 12 -9.666 6.238 5.682 107 HG11 VAL 12 1HG1 VAL 12 -8.339 7.985 6.840 108 HG12 VAL 12 2HG1 VAL 12 -9.513 7.191 7.902 109 HG13 VAL 12 3HG1 VAL 12 -7.793 6.764 8.008 110 HG21 VAL 12 3HG2 VAL 12 -6.697 5.695 6.000 111 HG22 VAL 12 1HG2 VAL 12 -7.693 5.094 4.663 112 HG23 VAL 12 2HG2 VAL 12 -7.463 6.835 4.871 113 H GLU 13 H GLU 13 -11.650 4.455 6.545 114 HA GLU 13 HA GLU 13 -12.612 5.498 9.008 115 HB2 GLU 13 1HB GLU 13 -13.806 3.712 6.892 116 HB3 GLU 13 2HB GLU 13 -14.728 4.179 8.323 117 HG2 GLU 13 1HG GLU 13 -14.722 6.469 7.733 118 HG3 GLU 13 2HG GLU 13 -13.420 6.256 6.562 119 H GLN 14 H GLN 14 -12.019 2.055 8.078 120 HA GLN 14 HA GLN 14 -12.963 1.057 10.637 121 HB2 GLN 14 1HB GLN 14 -11.149 -0.110 8.495 122 HB3 GLN 14 2HB GLN 14 -11.523 -0.964 9.995 123 HG2 GLN 14 1HG GLN 14 -13.528 -0.067 7.908 124 HG3 GLN 14 2HG GLN 14 -12.972 -1.725 8.197 125 HE21 GLN 14 2HE2 GLN 14 -13.131 -2.234 10.758 126 HE22 GLN 14 1HE2 GLN 14 -14.730 -1.909 11.394 127 H LEU 15 H LEU 15 -9.796 2.006 9.302 128 HA LEU 15 HA LEU 15 -8.324 1.215 11.627 129 HB2 LEU 15 1HB LEU 15 -7.747 3.171 9.412 130 HB3 LEU 15 2HB LEU 15 -6.636 2.891 10.737 131 HG LEU 15 HG LEU 15 -7.443 0.900 8.610 132 HD11 LEU 15 1HD1 LEU 15 -5.839 2.554 7.888 133 HD12 LEU 15 2HD1 LEU 15 -4.957 1.047 8.198 134 HD13 LEU 15 3HD1 LEU 15 -4.885 2.362 9.384 135 HD21 LEU 15 3HD2 LEU 15 -5.761 -0.619 9.679 136 HD22 LEU 15 1HD2 LEU 15 -7.202 -0.377 10.677 137 HD23 LEU 15 2HD2 LEU 15 -5.693 0.482 11.076 138 H LYS 16 H LYS 16 -10.276 4.060 11.008 139 HA LYS 16 HA LYS 16 -9.118 5.879 12.861 140 HB2 LYS 16 1HB LYS 16 -11.671 5.546 11.514 141 HB3 LYS 16 2HB LYS 16 -11.948 5.991 13.189 142 HG2 LYS 16 1HG LYS 16 -11.945 8.010 12.012 143 HG3 LYS 16 2HG LYS 16 -10.350 7.956 12.785 144 HD2 LYS 16 1HD LYS 16 -9.263 7.440 10.747 145 HD3 LYS 16 2HD LYS 16 -10.771 6.936 9.969 146 HE2 LYS 16 1HE LYS 16 -10.390 9.794 10.872 147 HE3 LYS 16 2HE LYS 16 -9.752 9.227 9.314 148 HZ1 LYS 16 3HZ LYS 16 -11.977 10.151 9.062 149 HZ2 LYS 16 1HZ LYS 16 -12.603 9.063 10.133 150 HZ3 LYS 16 2HZ LYS 16 -11.992 8.545 8.691 151 H GLN 17 H GLN 17 -11.390 3.164 13.322 152 HA GLN 17 HA GLN 17 -11.363 3.575 16.225 153 HB2 GLN 17 1HB GLN 17 -12.531 1.295 14.607 154 HB3 GLN 17 2HB GLN 17 -12.829 1.640 16.314 155 HG2 GLN 17 1HG GLN 17 -13.674 3.326 13.929 156 HG3 GLN 17 2HG GLN 17 -14.719 2.372 14.978 157 HE21 GLN 17 2HE2 GLN 17 -14.627 5.274 14.279 158 HE22 GLN 17 1HE2 GLN 17 -14.594 6.107 15.812 159 H ALA 18 H ALA 18 -9.867 1.318 13.860 160 HA ALA 18 HA ALA 18 -8.957 -0.491 15.873 161 HB1 ALA 18 3HB ALA 18 -7.618 -1.487 14.151 162 HB2 ALA 18 1HB ALA 18 -9.180 -1.000 13.448 163 HB3 ALA 18 2HB ALA 18 -7.716 -0.023 13.150 164 H LEU 19 H LEU 19 -7.315 2.406 14.473 165 HA LEU 19 HA LEU 19 -4.806 1.943 15.849 166 HB2 LEU 19 1HB LEU 19 -6.138 4.255 14.488 167 HB3 LEU 19 2HB LEU 19 -5.007 4.667 15.763 168 HG LEU 19 HG LEU 19 -3.310 3.189 14.533 169 HD11 LEU 19 1HD1 LEU 19 -4.734 2.101 12.874 170 HD12 LEU 19 2HD1 LEU 19 -3.547 3.150 12.043 171 HD13 LEU 19 3HD1 LEU 19 -5.239 3.684 12.236 172 HD21 LEU 19 3HD2 LEU 19 -2.620 5.057 13.068 173 HD22 LEU 19 1HD2 LEU 19 -3.133 5.629 14.677 174 HD23 LEU 19 2HD2 LEU 19 -4.224 5.801 13.287 175 H LYS 20 H LYS 20 -7.879 3.478 16.655 176 HA LYS 20 HA LYS 20 -7.069 4.612 19.171 177 HB2 LYS 20 1HB LYS 20 -8.942 5.494 17.909 178 HB3 LYS 20 2HB LYS 20 -9.727 3.927 17.894 179 HG2 LYS 20 1HG LYS 20 -10.015 4.099 20.385 180 HG3 LYS 20 2HG LYS 20 -9.466 5.787 20.258 181 HD2 LYS 20 1HD LYS 20 -11.294 6.290 18.723 182 HD3 LYS 20 2HD LYS 20 -11.723 4.572 18.627 183 HE2 LYS 20 1HE LYS 20 -12.223 4.610 21.084 184 HE3 LYS 20 2HE LYS 20 -12.005 6.378 21.048 185 HZ1 LYS 20 3HZ LYS 20 -13.911 4.898 19.310 186 HZ2 LYS 20 1HZ LYS 20 -13.794 6.536 19.469 187 HZ3 LYS 20 2HZ LYS 20 -14.344 5.626 20.732 188 H THR 21 H THR 21 -8.647 1.441 18.389 189 HA THR 21 HA THR 21 -9.251 0.868 21.146 190 HB THR 21 HB THR 21 -9.304 -1.562 20.326 191 HG1 THR 21 HG1 THR 21 -8.852 -1.943 18.262 192 HG21 THR 21 1HG2 THR 21 -10.944 0.513 18.820 193 HG22 THR 21 2HG2 THR 21 -11.345 -0.217 20.390 194 HG23 THR 21 3HG2 THR 21 -11.319 -1.219 18.925 195 H ARG 22 H ARG 22 -6.305 0.635 19.284 196 HA ARG 22 HA ARG 22 -4.937 -1.184 21.071 197 HB2 ARG 22 1HB ARG 22 -4.402 -0.069 18.641 198 HB3 ARG 22 2HB ARG 22 -3.418 0.965 19.667 199 HG2 ARG 22 1HG ARG 22 -3.229 -2.073 19.517 200 HG3 ARG 22 2HG ARG 22 -2.154 -0.932 18.699 201 HD2 ARG 22 1HD ARG 22 -1.585 0.005 21.001 202 HD3 ARG 22 2HD ARG 22 -2.434 -1.388 21.686 203 HE ARG 22 HE ARG 22 0.165 -1.365 20.339 204 HH11 ARG 22 1HH1 ARG 22 -2.454 -3.419 21.528 205 HH12 ARG 22 2HH1 ARG 22 -1.441 -4.853 21.528 206 HH21 ARG 22 1HH2 ARG 22 1.375 -3.216 20.404 207 HH22 ARG 22 2HH2 ARG 22 0.665 -4.738 20.898 208 H GLY 23 H GLY 23 -5.871 2.174 21.241 209 HA2 GLY 23 1HA GLY 23 -5.778 3.594 23.054 210 HA3 GLY 23 2HA GLY 23 -4.929 2.343 23.972 211 H VAL 24 H VAL 24 -3.247 2.699 21.142 212 HA VAL 24 HA VAL 24 -1.256 4.348 22.579 213 HB VAL 24 HB VAL 24 -0.640 2.046 21.684 214 HG11 VAL 24 1HG1 VAL 24 -1.813 2.292 19.469 215 HG12 VAL 24 2HG1 VAL 24 -0.556 3.436 18.982 216 HG13 VAL 24 3HG1 VAL 24 -0.127 1.755 19.348 217 HG21 VAL 24 3HG2 VAL 24 1.001 4.431 20.740 218 HG22 VAL 24 1HG2 VAL 24 1.054 3.672 22.348 219 HG23 VAL 24 2HG2 VAL 24 1.599 2.766 20.923 220 H LYS 25 H LYS 25 -0.631 6.297 21.925 221 HA LYS 25 HA LYS 25 -2.402 7.557 19.933 222 HB2 LYS 25 1HB LYS 25 -0.357 8.710 21.869 223 HB3 LYS 25 2HB LYS 25 -1.472 9.658 20.868 224 HG2 LYS 25 1HG LYS 25 -3.400 8.665 22.036 225 HG3 LYS 25 2HG LYS 25 -2.319 7.626 22.979 226 HD2 LYS 25 1HD LYS 25 -1.287 9.624 24.006 227 HD3 LYS 25 2HD LYS 25 -2.399 10.659 23.085 228 HE2 LYS 25 1HE LYS 25 -3.271 10.358 25.346 229 HE3 LYS 25 2HE LYS 25 -4.335 9.538 24.189 230 HZ1 LYS 25 3HZ LYS 25 -2.284 8.196 25.874 231 HZ2 LYS 25 1HZ LYS 25 -3.279 7.432 24.802 232 HZ3 LYS 25 2HZ LYS 25 -3.911 8.163 26.139 233 H VAL 26 H VAL 26 -1.525 6.610 18.042 234 HA VAL 26 HA VAL 26 1.130 7.751 17.265 235 HB VAL 26 HB VAL 26 1.369 5.828 15.683 236 HG11 VAL 26 1HG1 VAL 26 2.482 5.786 17.875 237 HG12 VAL 26 2HG1 VAL 26 1.054 5.014 18.594 238 HG13 VAL 26 3HG1 VAL 26 2.004 4.154 17.363 239 HG21 VAL 26 3HG2 VAL 26 -1.070 4.695 17.139 240 HG22 VAL 26 1HG2 VAL 26 -0.992 5.187 15.433 241 HG23 VAL 26 2HG2 VAL 26 -0.037 3.806 15.999 242 H LYS 27 H LYS 27 1.384 8.251 15.032 243 HA LYS 27 HA LYS 27 -1.040 9.579 14.016 244 HB2 LYS 27 1HB LYS 27 1.190 10.691 14.199 245 HB3 LYS 27 2HB LYS 27 1.835 9.554 13.013 246 HG2 LYS 27 1HG LYS 27 0.499 10.487 11.260 247 HG3 LYS 27 2HG LYS 27 -0.489 11.405 12.412 248 HD2 LYS 27 1HD LYS 27 1.058 12.941 11.365 249 HD3 LYS 27 2HD LYS 27 1.538 12.723 13.057 250 HE2 LYS 27 1HE LYS 27 3.285 11.082 12.327 251 HE3 LYS 27 2HE LYS 27 2.829 11.379 10.637 252 HZ1 LYS 27 3HZ LYS 27 3.874 13.422 12.522 253 HZ2 LYS 27 1HZ LYS 27 3.457 13.704 10.951 254 HZ3 LYS 27 2HZ LYS 27 4.732 12.717 11.304 255 H PHE 28 H PHE 28 -2.141 8.991 12.190 256 HA PHE 28 HA PHE 28 -2.074 6.374 11.147 257 HB2 PHE 28 1HB PHE 28 -3.232 9.018 10.432 258 HB3 PHE 28 2HB PHE 28 -2.897 8.019 9.015 259 HD1 PHE 28 HD1 PHE 28 -4.863 8.228 12.160 260 HD2 PHE 28 HD2 PHE 28 -4.181 6.088 8.491 261 HE1 PHE 28 HE1 PHE 28 -6.999 6.990 12.485 262 HE2 PHE 28 HE2 PHE 28 -6.307 4.863 8.801 263 HZ PHE 28 HZ PHE 28 -7.724 5.318 10.790 264 H ALA 29 H ALA 29 -0.599 9.331 9.763 265 HA ALA 29 HA ALA 29 0.453 8.069 7.466 266 HB1 ALA 29 3HB ALA 29 1.468 10.534 8.947 267 HB2 ALA 29 1HB ALA 29 1.876 10.075 7.278 268 HB3 ALA 29 2HB ALA 29 0.203 10.510 7.691 269 H ASP 30 H ASP 30 1.626 8.002 10.780 270 HA ASP 30 HA ASP 30 4.300 7.118 9.911 271 HB2 ASP 30 1HB ASP 30 3.884 8.544 11.981 272 HB3 ASP 30 2HB ASP 30 3.168 7.106 12.725 273 H LEU 31 H LEU 31 1.274 5.770 11.318 274 HA LEU 31 HA LEU 31 2.387 3.174 11.703 275 HB2 LEU 31 1HB LEU 31 0.030 4.308 12.425 276 HB3 LEU 31 2HB LEU 31 -0.504 3.257 11.098 277 HG LEU 31 HG LEU 31 1.076 2.407 13.572 278 HD11 LEU 31 1HD1 LEU 31 -0.907 1.199 14.218 279 HD12 LEU 31 2HD1 LEU 31 -1.750 1.745 12.751 280 HD13 LEU 31 3HD1 LEU 31 -1.269 2.919 14.002 281 HD21 LEU 31 3HD2 LEU 31 0.056 0.743 11.259 282 HD22 LEU 31 1HD2 LEU 31 0.613 0.068 12.808 283 HD23 LEU 31 2HD2 LEU 31 1.745 0.950 11.771 284 H LEU 32 H LEU 32 0.197 4.392 9.129 285 HA LEU 32 HA LEU 32 0.467 2.060 7.480 286 HB2 LEU 32 1HB LEU 32 -0.228 4.931 6.880 287 HB3 LEU 32 2HB LEU 32 -0.012 3.775 5.587 288 HG LEU 32 HG LEU 32 -2.306 3.949 5.939 289 HD11 LEU 32 1HD1 LEU 32 -3.045 1.742 6.455 290 HD12 LEU 32 2HD1 LEU 32 -1.587 1.406 7.413 291 HD13 LEU 32 3HD1 LEU 32 -1.471 1.614 5.648 292 HD21 LEU 32 3HD2 LEU 32 -3.439 3.742 7.999 293 HD22 LEU 32 1HD2 LEU 32 -2.177 4.975 8.139 294 HD23 LEU 32 2HD2 LEU 32 -1.920 3.366 8.853 295 H LYS 33 H LYS 33 2.753 4.625 8.009 296 HA LYS 33 HA LYS 33 4.217 4.286 5.546 297 HB2 LYS 33 1HB LYS 33 5.170 6.069 6.481 298 HB3 LYS 33 2HB LYS 33 4.583 5.643 8.080 299 HG2 LYS 33 1HG LYS 33 6.506 4.215 8.474 300 HG3 LYS 33 2HG LYS 33 7.110 4.538 6.831 301 HD2 LYS 33 1HD LYS 33 7.445 6.852 7.307 302 HD3 LYS 33 2HD LYS 33 6.552 6.744 8.836 303 HE2 LYS 33 1HE LYS 33 9.123 5.217 8.302 304 HE3 LYS 33 2HE LYS 33 9.068 6.826 9.062 305 HZ1 LYS 33 3HZ LYS 33 7.560 5.871 10.746 306 HZ2 LYS 33 1HZ LYS 33 9.056 5.163 10.764 307 HZ3 LYS 33 2HZ LYS 33 7.773 4.371 10.093 308 H PHE 34 H PHE 34 4.158 2.443 8.605 309 HA PHE 34 HA PHE 34 6.396 0.764 7.771 310 HB2 PHE 34 1HB PHE 34 4.320 0.488 9.955 311 HB3 PHE 34 2HB PHE 34 5.559 -0.729 9.633 312 HD1 PHE 34 HD2 PHE 34 7.961 -0.233 9.972 313 HD2 PHE 34 HD1 PHE 34 4.891 2.581 11.022 314 HE1 PHE 34 HE2 PHE 34 9.602 1.034 11.352 315 HE2 PHE 34 HE1 PHE 34 6.514 3.871 12.381 316 HZ PHE 34 HZ PHE 34 8.877 3.091 12.568 317 H PHE 35 H PHE 35 2.921 0.777 7.198 318 HA PHE 35 HA PHE 35 2.751 -2.006 6.378 319 HB2 PHE 35 1HB PHE 35 1.076 0.455 5.769 320 HB3 PHE 35 2HB PHE 35 0.768 -1.089 4.994 321 HD1 PHE 35 HD2 PHE 35 1.725 -0.509 8.621 322 HD2 PHE 35 HD1 PHE 35 -1.321 -1.683 5.816 323 HE1 PHE 35 HE2 PHE 35 0.278 -1.231 10.484 324 HE2 PHE 35 HE1 PHE 35 -2.773 -2.387 7.706 325 HZ PHE 35 HZ PHE 35 -1.981 -2.146 10.047 326 H ASP 36 H ASP 36 3.735 1.060 4.871 327 HA ASP 36 HA ASP 36 3.889 -0.086 2.202 328 HB2 ASP 36 1HB ASP 36 3.789 2.442 3.074 329 HB3 ASP 36 2HB ASP 36 5.550 2.282 2.973 330 H PHE 37 H PHE 37 6.053 0.281 4.961 331 HA PHE 37 HA PHE 37 8.484 -0.468 3.634 332 HB2 PHE 37 1HB PHE 37 8.387 0.655 5.828 333 HB3 PHE 37 2HB PHE 37 7.654 -0.783 6.541 334 HD1 PHE 37 HD2 PHE 37 10.712 0.165 4.546 335 HD2 PHE 37 HD1 PHE 37 9.028 -2.288 7.658 336 HE1 PHE 37 HE2 PHE 37 12.975 -0.751 5.045 337 HE2 PHE 37 HE1 PHE 37 11.290 -3.201 8.168 338 HZ PHE 37 HZ PHE 37 13.267 -2.433 6.859 339 H VAL 38 H VAL 38 5.796 -2.356 4.990 340 HA VAL 38 HA VAL 38 7.051 -4.941 4.950 341 HB VAL 38 HB VAL 38 4.171 -4.193 4.194 342 HG11 VAL 38 1HG1 VAL 38 4.562 -6.379 3.273 343 HG12 VAL 38 2HG1 VAL 38 5.438 -6.911 4.721 344 HG13 VAL 38 3HG1 VAL 38 3.682 -6.635 4.788 345 HG21 VAL 38 3HG2 VAL 38 3.588 -4.886 6.366 346 HG22 VAL 38 1HG2 VAL 38 5.292 -5.222 6.747 347 HG23 VAL 38 2HG2 VAL 38 4.750 -3.570 6.410 348 H LYS 39 H LYS 39 5.197 -3.077 2.555 349 HA LYS 39 HA LYS 39 5.290 -5.128 0.652 350 HB2 LYS 39 1HB LYS 39 3.624 -3.460 0.450 351 HB3 LYS 39 2HB LYS 39 4.784 -2.156 0.548 352 HG2 LYS 39 1HG LYS 39 5.123 -3.906 -1.823 353 HG3 LYS 39 2HG LYS 39 3.584 -3.036 -1.762 354 HD2 LYS 39 1HD LYS 39 6.276 -1.668 -1.391 355 HD3 LYS 39 2HD LYS 39 5.475 -1.823 -2.964 356 HE2 LYS 39 1HE LYS 39 3.567 -0.529 -2.197 357 HE3 LYS 39 2HE LYS 39 4.177 -0.526 -0.535 358 HZ1 LYS 39 3HZ LYS 39 4.678 1.545 -1.486 359 HZ2 LYS 39 1HZ LYS 39 5.374 0.875 -2.831 360 HZ3 LYS 39 2HZ LYS 39 6.103 0.738 -1.353 361 H ASP 40 H ASP 40 7.394 -2.374 1.312 362 HA ASP 40 HA ASP 40 9.010 -2.531 -1.024 363 HB2 ASP 40 1HB ASP 40 8.747 -0.759 0.964 364 HB3 ASP 40 2HB ASP 40 10.155 -1.615 1.605 365 H THR 41 H THR 41 9.497 -3.921 2.256 366 HA THR 41 HA THR 41 12.011 -5.170 1.444 367 HB THR 41 HB THR 41 10.451 -5.848 3.962 368 HG1 THR 41 HG1 THR 41 10.446 -3.615 3.904 369 HG21 THR 41 1HG2 THR 41 12.537 -7.083 3.622 370 HG22 THR 41 2HG2 THR 41 12.764 -5.893 4.920 371 HG23 THR 41 3HG2 THR 41 13.414 -5.567 3.302 372 H CYS 42 H CYS 42 8.647 -6.119 1.629 373 HA CYS 42 HA CYS 42 9.393 -8.936 0.935 374 HB2 CYS 42 1HB CYS 42 6.889 -8.041 2.401 375 HB3 CYS 42 2HB CYS 42 7.480 -9.692 2.186 376 HG CYS 42 HG CYS 42 8.864 -7.211 3.841 377 HA PRO 43 HA PRO 43 6.802 -6.897 -2.316 378 HB2 PRO 43 1HB PRO 43 7.988 -7.967 -4.540 379 HB3 PRO 43 2HB PRO 43 8.661 -6.547 -3.672 380 HG2 PRO 43 1HG PRO 43 9.422 -9.454 -3.396 381 HG3 PRO 43 2HG PRO 43 10.482 -8.036 -3.680 382 HD2 PRO 43 1HD PRO 43 10.122 -9.044 -1.203 383 HD3 PRO 43 2HD PRO 43 10.234 -7.264 -1.473 384 H TRP 44 H TRP 44 7.648 -10.207 -1.679 385 HA TRP 44 HA TRP 44 5.605 -11.395 -3.338 386 HB2 TRP 44 1HB TRP 44 6.179 -13.333 -1.610 387 HB3 TRP 44 2HB TRP 44 7.249 -12.908 -2.958 388 HD1 TRP 44 HD1 TRP 44 6.835 -11.913 0.737 389 HE1 TRP 44 HE1 TRP 44 9.125 -11.459 1.798 390 HE3 TRP 44 HE3 TRP 44 9.643 -12.559 -3.455 391 HZ2 TRP 44 HZ2 TRP 44 11.828 -11.336 0.897 392 HZ3 TRP 44 HZ3 TRP 44 12.122 -12.237 -3.311 393 HH2 TRP 44 HH2 TRP 44 13.192 -11.626 -1.141 394 H PHE 45 H PHE 45 5.529 -9.841 -0.217 395 HA PHE 45 HA PHE 45 3.339 -11.421 0.813 396 HB2 PHE 45 1HB PHE 45 4.812 -10.112 2.284 397 HB3 PHE 45 2HB PHE 45 4.196 -8.615 1.586 398 HD1 PHE 45 HD1 PHE 45 3.409 -11.483 3.785 399 HD2 PHE 45 HD2 PHE 45 1.950 -7.791 2.130 400 HE1 PHE 45 HE1 PHE 45 1.554 -11.464 5.451 401 HE2 PHE 45 HE2 PHE 45 0.084 -7.788 3.777 402 HZ PHE 45 HZ PHE 45 -0.117 -9.621 5.442 403 HA PRO 46 HA PRO 46 0.407 -8.107 -0.675 404 HB2 PRO 46 1HB PRO 46 1.053 -6.397 -2.707 405 HB3 PRO 46 2HB PRO 46 1.352 -6.010 -0.988 406 HG2 PRO 46 1HG PRO 46 3.236 -7.149 -3.007 407 HG3 PRO 46 2HG PRO 46 3.443 -5.718 -1.948 408 HD2 PRO 46 1HD PRO 46 4.459 -8.081 -1.260 409 HD3 PRO 46 2HD PRO 46 3.693 -7.030 -0.027 410 H GLN 47 H GLN 47 2.699 -9.545 -2.950 411 HA GLN 47 HA GLN 47 0.976 -9.691 -5.209 412 HB2 GLN 47 1HB GLN 47 3.485 -10.027 -5.084 413 HB3 GLN 47 2HB GLN 47 3.170 -11.647 -4.450 414 HG2 GLN 47 1HG GLN 47 1.990 -12.247 -6.506 415 HG3 GLN 47 2HG GLN 47 2.187 -10.598 -7.125 416 HE21 GLN 47 2HE2 GLN 47 3.361 -13.648 -7.345 417 HE22 GLN 47 1HE2 GLN 47 4.983 -13.288 -7.885 418 H GLU 48 H GLU 48 1.247 -11.691 -2.313 419 HA GLU 48 HA GLU 48 -0.363 -13.866 -3.405 420 HB2 GLU 48 1HB GLU 48 0.526 -13.136 -0.600 421 HB3 GLU 48 2HB GLU 48 -0.375 -14.603 -0.998 422 HG2 GLU 48 1HG GLU 48 2.211 -14.018 -2.445 423 HG3 GLU 48 2HG GLU 48 2.258 -14.647 -0.794 424 H GLY 49 H GLY 49 -1.104 -10.740 -2.249 425 HA2 GLY 49 1HA GLY 49 -3.081 -9.697 -1.789 426 HA3 GLY 49 2HA GLY 49 -3.801 -10.950 -2.789 427 H THR 50 H THR 50 -2.358 -11.809 0.310 428 HA THR 50 HA THR 50 -5.119 -12.141 1.420 429 HB THR 50 HB THR 50 -2.881 -14.186 1.520 430 HG1 THR 50 HG1 THR 50 -3.899 -13.918 -0.575 431 HG21 THR 50 1HG2 THR 50 -4.334 -14.412 3.456 432 HG22 THR 50 2HG2 THR 50 -4.730 -15.703 2.297 433 HG23 THR 50 3HG2 THR 50 -5.781 -14.280 2.424 434 H ILE 51 H ILE 51 -5.331 -11.693 3.590 435 HA ILE 51 HA ILE 51 -2.798 -10.906 4.996 436 HB ILE 51 HB ILE 51 -5.628 -9.970 5.532 437 HG12 ILE 51 1HG1 ILE 51 -4.907 -9.032 3.446 438 HG13 ILE 51 2HG1 ILE 51 -4.934 -7.844 4.716 439 HG21 ILE 51 1HG2 ILE 51 -2.945 -9.109 6.743 440 HG22 ILE 51 2HG2 ILE 51 -4.495 -8.278 7.013 441 HG23 ILE 51 3HG2 ILE 51 -4.275 -9.938 7.585 442 HD11 ILE 51 3HD1 ILE 51 -2.545 -7.794 4.844 443 HD12 ILE 51 1HD1 ILE 51 -2.434 -9.100 3.634 444 HD13 ILE 51 2HD1 ILE 51 -3.095 -7.516 3.176 445 H ASP 52 H ASP 52 -2.187 -12.370 6.296 446 HA ASP 52 HA ASP 52 -3.999 -13.322 8.387 447 HB2 ASP 52 1HB ASP 52 -4.295 -14.999 6.525 448 HB3 ASP 52 2HB ASP 52 -2.571 -15.381 6.703 449 H ILE 53 H ILE 53 -2.881 -14.485 10.098 450 HA ILE 53 HA ILE 53 -0.368 -13.232 10.606 451 HB ILE 53 HB ILE 53 -2.097 -13.845 12.285 452 HG12 ILE 53 1HG1 ILE 53 -0.466 -14.556 14.044 453 HG13 ILE 53 2HG1 ILE 53 0.709 -14.843 12.776 454 HG21 ILE 53 1HG2 ILE 53 -2.205 -16.081 13.239 455 HG22 ILE 53 2HG2 ILE 53 -2.603 -16.148 11.510 456 HG23 ILE 53 3HG2 ILE 53 -0.996 -16.671 12.078 457 HD11 ILE 53 3HD1 ILE 53 -0.556 -12.137 13.160 458 HD12 ILE 53 1HD1 ILE 53 0.882 -12.654 14.063 459 HD13 ILE 53 2HD1 ILE 53 0.941 -12.556 12.295 460 H LYS 54 H LYS 54 -1.237 -16.410 9.295 461 HA LYS 54 HA LYS 54 1.337 -17.642 9.672 462 HB2 LYS 54 1HB LYS 54 -0.793 -17.971 7.532 463 HB3 LYS 54 2HB LYS 54 0.651 -18.987 7.617 464 HG2 LYS 54 1HG LYS 54 -0.040 -20.058 9.581 465 HG3 LYS 54 2HG LYS 54 -1.113 -18.731 10.050 466 HD2 LYS 54 1HD LYS 54 -2.491 -20.587 9.384 467 HD3 LYS 54 2HD LYS 54 -2.638 -19.317 8.163 468 HE2 LYS 54 1HE LYS 54 -1.014 -20.533 6.721 469 HE3 LYS 54 2HE LYS 54 -0.942 -21.832 7.937 470 HZ1 LYS 54 3HZ LYS 54 -2.550 -22.322 6.178 471 HZ2 LYS 54 1HZ LYS 54 -3.397 -20.947 6.515 472 HZ3 LYS 54 2HZ LYS 54 -3.326 -22.161 7.626 473 H ARG 55 H ARG 55 0.088 -15.322 7.329 474 HA ARG 55 HA ARG 55 2.543 -15.444 5.703 475 HB2 ARG 55 1HB ARG 55 0.134 -13.593 5.599 476 HB3 ARG 55 2HB ARG 55 1.436 -13.669 4.404 477 HG2 ARG 55 1HG ARG 55 0.844 -16.022 3.933 478 HG3 ARG 55 2HG ARG 55 -0.512 -15.906 5.075 479 HD2 ARG 55 1HD ARG 55 -1.574 -14.214 3.765 480 HD3 ARG 55 2HD ARG 55 -0.148 -14.026 2.738 481 HE ARG 55 HE ARG 55 -2.244 -15.997 2.460 482 HH11 ARG 55 1HH1 ARG 55 1.169 -15.424 1.778 483 HH12 ARG 55 2HH1 ARG 55 1.132 -16.436 0.342 484 HH21 ARG 55 1HH2 ARG 55 -2.175 -17.265 0.600 485 HH22 ARG 55 2HH2 ARG 55 -0.670 -17.427 -0.288 486 H TRP 56 H TRP 56 0.991 -13.294 8.073 487 HA TRP 56 HA TRP 56 2.810 -11.125 7.805 488 HB2 TRP 56 1HB TRP 56 0.571 -11.106 8.913 489 HB3 TRP 56 2HB TRP 56 1.277 -11.997 10.263 490 HD1 TRP 56 HD1 TRP 56 2.128 -10.519 12.166 491 HE1 TRP 56 HE1 TRP 56 2.812 -8.088 12.509 492 HE3 TRP 56 HE3 TRP 56 1.777 -9.020 7.301 493 HZ2 TRP 56 HZ2 TRP 56 3.165 -5.791 10.876 494 HZ3 TRP 56 HZ3 TRP 56 2.346 -6.666 6.738 495 HH2 TRP 56 HH2 TRP 56 3.014 -5.056 8.529 496 H ARG 57 H ARG 57 3.022 -14.138 9.675 497 HA ARG 57 HA ARG 57 5.230 -13.348 11.316 498 HB2 ARG 57 1HB ARG 57 4.243 -16.006 10.312 499 HB3 ARG 57 2HB ARG 57 5.685 -15.869 11.337 500 HG2 ARG 57 1HG ARG 57 4.466 -15.093 13.192 501 HG3 ARG 57 2HG ARG 57 3.102 -14.554 12.200 502 HD2 ARG 57 1HD ARG 57 2.530 -16.879 11.687 503 HD3 ARG 57 2HD ARG 57 3.880 -17.430 12.699 504 HE ARG 57 HE ARG 57 2.069 -15.689 14.144 505 HH11 ARG 57 1HH1 ARG 57 2.400 -19.031 13.078 506 HH12 ARG 57 2HH1 ARG 57 1.250 -19.613 14.252 507 HH21 ARG 57 1HH2 ARG 57 0.549 -16.503 15.593 508 HH22 ARG 57 2HH2 ARG 57 0.256 -18.216 15.654 509 H ARG 58 H ARG 58 5.097 -14.746 8.044 510 HA ARG 58 HA ARG 58 7.928 -14.874 7.666 511 HB2 ARG 58 1HB ARG 58 5.620 -14.644 5.737 512 HB3 ARG 58 2HB ARG 58 7.296 -14.607 5.191 513 HG2 ARG 58 1HG ARG 58 7.672 -16.780 6.355 514 HG3 ARG 58 2HG ARG 58 5.923 -16.867 6.662 515 HD2 ARG 58 1HD ARG 58 5.432 -16.902 4.314 516 HD3 ARG 58 2HD ARG 58 7.086 -16.437 3.889 517 HE ARG 58 HE ARG 58 6.126 -19.111 4.588 518 HH11 ARG 58 1HH1 ARG 58 8.999 -17.086 4.181 519 HH12 ARG 58 2HH1 ARG 58 10.043 -18.459 3.947 520 HH21 ARG 58 1HH2 ARG 58 7.531 -20.809 4.275 521 HH22 ARG 58 2HH2 ARG 58 9.226 -20.520 4.006 522 H VAL 59 H VAL 59 5.794 -12.071 7.563 523 HA VAL 59 HA VAL 59 7.605 -10.383 6.055 524 HB VAL 59 HB VAL 59 5.528 -9.654 8.177 525 HG11 VAL 59 1HG1 VAL 59 6.945 -7.907 6.153 526 HG12 VAL 59 2HG1 VAL 59 5.564 -7.412 7.162 527 HG13 VAL 59 3HG1 VAL 59 7.104 -7.842 7.920 528 HG21 VAL 59 3HG2 VAL 59 4.546 -10.812 6.303 529 HG22 VAL 59 1HG2 VAL 59 4.119 -9.093 6.244 530 HG23 VAL 59 2HG2 VAL 59 5.381 -9.730 5.164 531 H GLY 60 H GLY 60 7.143 -11.230 9.475 532 HA2 GLY 60 1HA GLY 60 9.135 -9.375 10.408 533 HA3 GLY 60 2HA GLY 60 8.422 -10.729 11.309 534 H ASP 61 H ASP 61 9.122 -12.804 9.462 535 HA ASP 61 HA ASP 61 11.799 -13.419 10.222 536 HB2 ASP 61 1HB ASP 61 10.201 -14.428 7.824 537 HB3 ASP 61 2HB ASP 61 11.677 -15.167 8.447 538 H CYS 62 H CYS 62 10.387 -11.895 7.335 539 HA CYS 62 HA CYS 62 12.769 -11.740 5.775 540 HB2 CYS 62 1HB CYS 62 10.172 -11.237 5.329 541 HB3 CYS 62 2HB CYS 62 10.693 -9.585 5.646 542 HG CYS 62 HG CYS 62 10.732 -9.516 3.215 543 H PHE 63 H PHE 63 11.255 -9.376 8.042 544 HA PHE 63 HA PHE 63 13.233 -7.333 7.616 545 HB2 PHE 63 1HB PHE 63 11.633 -7.964 10.125 546 HB3 PHE 63 2HB PHE 63 12.558 -6.494 9.864 547 HD1 PHE 63 HD1 PHE 63 11.677 -6.197 6.817 548 HD2 PHE 63 HD2 PHE 63 9.552 -6.796 10.517 549 HE1 PHE 63 HE1 PHE 63 9.688 -5.048 5.862 550 HE2 PHE 63 HE2 PHE 63 7.569 -5.635 9.565 551 HZ PHE 63 HZ PHE 63 7.635 -4.759 7.233 552 H GLN 64 H GLN 64 13.008 -10.136 9.792 553 HA GLN 64 HA GLN 64 15.269 -9.467 11.409 554 HB2 GLN 64 1HB GLN 64 13.460 -11.108 11.956 555 HB3 GLN 64 2HB GLN 64 14.121 -12.196 10.736 556 HG2 GLN 64 1HG GLN 64 16.228 -12.335 12.001 557 HG3 GLN 64 2HG GLN 64 15.557 -11.246 13.227 558 HE21 GLN 64 2HE2 GLN 64 14.886 -14.327 11.548 559 HE22 GLN 64 1HE2 GLN 64 14.152 -15.102 12.931 560 H ASP 65 H ASP 65 14.933 -11.472 8.444 561 HA ASP 65 HA ASP 65 17.640 -12.375 8.449 562 HB2 ASP 65 1HB ASP 65 15.622 -13.193 7.100 563 HB3 ASP 65 2HB ASP 65 15.954 -11.869 5.981 564 H TYR 66 H TYR 66 16.049 -9.604 6.826 565 HA TYR 66 HA TYR 66 18.439 -8.639 5.573 566 HB2 TYR 66 1HB TYR 66 15.944 -8.023 5.183 567 HB3 TYR 66 2HB TYR 66 16.173 -6.864 6.489 568 HD1 TYR 66 HD2 TYR 66 18.363 -5.265 6.159 569 HD2 TYR 66 HD1 TYR 66 16.338 -7.353 2.984 570 HE1 TYR 66 HE2 TYR 66 19.351 -3.704 4.493 571 HE2 TYR 66 HE1 TYR 66 17.319 -5.763 1.328 572 HH TYR 66 HH TYR 66 19.532 -3.134 2.302 573 H PHE 67 H PHE 67 16.977 -8.130 8.795 574 HA PHE 67 HA PHE 67 18.785 -6.027 9.613 575 HB2 PHE 67 1HB PHE 67 16.647 -6.578 10.733 576 HB3 PHE 67 2HB PHE 67 17.328 -8.111 11.279 577 HD1 PHE 67 HD1 PHE 67 19.172 -8.133 12.979 578 HD2 PHE 67 HD2 PHE 67 17.110 -4.525 11.862 579 HE1 PHE 67 HE1 PHE 67 20.015 -7.019 15.038 580 HE2 PHE 67 HE2 PHE 67 17.916 -3.415 13.928 581 HZ PHE 67 HZ PHE 67 19.387 -4.652 15.521 582 H ASN 68 H ASN 68 18.968 -9.611 9.795 583 HA ASN 68 HA ASN 68 21.392 -9.616 11.369 584 HB2 ASN 68 1HB ASN 68 20.217 -11.681 9.454 585 HB3 ASN 68 2HB ASN 68 21.623 -11.967 10.488 586 HD21 ASN 68 2HD2 ASN 68 19.064 -13.334 10.435 587 HD22 ASN 68 1HD2 ASN 68 18.413 -13.170 12.049 588 H THR 69 H THR 69 20.658 -9.499 7.913 589 HA THR 69 HA THR 69 23.364 -9.969 7.042 590 HB THR 69 HB THR 69 21.055 -8.608 5.559 591 HG1 THR 69 HG1 THR 69 20.436 -10.674 6.227 592 HG21 THR 69 1HG2 THR 69 23.176 -8.303 4.379 593 HG22 THR 69 2HG2 THR 69 22.200 -9.529 3.542 594 HG23 THR 69 3HG2 THR 69 23.559 -10.032 4.570 595 H PHE 70 H PHE 70 21.423 -6.986 7.529 596 HA PHE 70 HA PHE 70 23.904 -5.455 6.889 597 HB2 PHE 70 1HB PHE 70 21.393 -5.590 5.597 598 HB3 PHE 70 2HB PHE 70 21.528 -3.991 6.301 599 HD1 PHE 70 HD1 PHE 70 24.258 -3.167 6.041 600 HD2 PHE 70 HD2 PHE 70 21.959 -5.628 3.368 601 HE1 PHE 70 HE1 PHE 70 25.761 -2.511 4.164 602 HE2 PHE 70 HE2 PHE 70 23.451 -4.977 1.478 603 HZ PHE 70 HZ PHE 70 25.357 -3.414 1.875 604 H GLY 71 H GLY 71 21.921 -5.982 9.516 605 HA2 GLY 71 1HA GLY 71 22.234 -4.970 11.551 606 HA3 GLY 71 2HA GLY 71 23.156 -3.687 10.781 607 HA PRO 72 HA PRO 72 19.035 -2.195 12.446 608 HB2 PRO 72 1HB PRO 72 19.968 -0.443 14.311 609 HB3 PRO 72 2HB PRO 72 19.844 -2.202 14.632 610 HG2 PRO 72 1HG PRO 72 22.233 -0.625 13.718 611 HG3 PRO 72 2HG PRO 72 22.087 -1.746 15.111 612 HD2 PRO 72 1HD PRO 72 23.103 -2.579 12.766 613 HD3 PRO 72 2HD PRO 72 22.014 -3.645 13.724 614 H GLU 73 H GLU 73 21.735 -0.754 10.902 615 HA GLU 73 HA GLU 73 20.569 1.917 10.721 616 HB2 GLU 73 1HB GLU 73 22.863 0.623 9.228 617 HB3 GLU 73 2HB GLU 73 22.448 2.341 9.174 618 HG2 GLU 73 1HG GLU 73 22.895 2.476 11.621 619 HG3 GLU 73 2HG GLU 73 23.461 0.792 11.566 620 H LYS 74 H LYS 74 19.838 -0.965 9.366 621 HA LYS 74 HA LYS 74 19.076 0.281 6.754 622 HB2 LYS 74 1HB LYS 74 20.052 -2.482 7.423 623 HB3 LYS 74 2HB LYS 74 19.568 -1.959 5.794 624 HG2 LYS 74 1HG LYS 74 21.877 -0.837 7.459 625 HG3 LYS 74 2HG LYS 74 22.057 -1.998 6.163 626 HD2 LYS 74 1HD LYS 74 21.701 -0.453 4.495 627 HD3 LYS 74 2HD LYS 74 20.767 0.638 5.540 628 HE2 LYS 74 1HE LYS 74 23.072 1.495 5.023 629 HE3 LYS 74 2HE LYS 74 22.729 1.319 6.753 630 HZ1 LYS 74 3HZ LYS 74 24.908 0.465 6.244 631 HZ2 LYS 74 1HZ LYS 74 24.305 -0.595 5.126 632 HZ3 LYS 74 2HZ LYS 74 23.944 -0.780 6.726 633 H VAL 75 H VAL 75 18.253 -2.233 9.198 634 HA VAL 75 HA VAL 75 15.404 -1.588 8.488 635 HB VAL 75 HB VAL 75 16.521 -4.146 9.755 636 HG11 VAL 75 1HG1 VAL 75 13.632 -3.380 9.136 637 HG12 VAL 75 2HG1 VAL 75 14.187 -4.965 9.722 638 HG13 VAL 75 3HG1 VAL 75 14.352 -3.539 10.759 639 HG21 VAL 75 3HG2 VAL 75 16.875 -4.134 7.352 640 HG22 VAL 75 1HG2 VAL 75 15.578 -5.271 7.762 641 HG23 VAL 75 2HG2 VAL 75 15.179 -3.684 7.067 642 HA PRO 76 HA PRO 76 16.257 -0.007 12.524 643 HB2 PRO 76 1HB PRO 76 13.997 1.311 13.136 644 HB3 PRO 76 2HB PRO 76 15.064 1.873 11.830 645 HG2 PRO 76 1HG PRO 76 12.536 0.298 11.642 646 HG3 PRO 76 2HG PRO 76 13.049 1.719 10.691 647 HD2 PRO 76 1HD PRO 76 13.311 -0.897 9.822 648 HD3 PRO 76 2HD PRO 76 14.386 0.442 9.290 649 H VAL 77 H VAL 77 15.779 -0.449 14.754 650 HA VAL 77 HA VAL 77 14.462 -2.938 15.236 651 HB VAL 77 HB VAL 77 14.750 -2.402 17.650 652 HG11 VAL 77 1HG1 VAL 77 17.217 -1.805 15.949 653 HG12 VAL 77 2HG1 VAL 77 17.203 -2.406 17.622 654 HG13 VAL 77 3HG1 VAL 77 16.579 -3.427 16.311 655 HG21 VAL 77 3HG2 VAL 77 15.904 0.246 16.647 656 HG22 VAL 77 1HG2 VAL 77 14.379 0.054 17.549 657 HG23 VAL 77 2HG2 VAL 77 15.923 -0.342 18.321 658 H THR 78 H THR 78 13.225 0.337 15.069 659 HA THR 78 HA THR 78 10.843 -0.210 16.614 660 HB THR 78 HB THR 78 11.611 2.121 16.159 661 HG1 THR 78 HG1 THR 78 9.477 1.796 16.762 662 HG21 THR 78 1HG2 THR 78 12.277 2.094 13.873 663 HG22 THR 78 2HG2 THR 78 10.910 3.197 14.036 664 HG23 THR 78 3HG2 THR 78 10.658 1.582 13.351 665 H ALA 79 H ALA 79 11.839 -0.990 13.341 666 HA ALA 79 HA ALA 79 9.190 -1.169 12.258 667 HB1 ALA 79 3HB ALA 79 11.734 -2.657 11.547 668 HB2 ALA 79 1HB ALA 79 10.244 -2.648 10.572 669 HB3 ALA 79 2HB ALA 79 11.143 -1.138 10.837 670 H PHE 80 H PHE 80 11.199 -3.450 14.135 671 HA PHE 80 HA PHE 80 9.376 -5.668 13.827 672 HB2 PHE 80 1HB PHE 80 11.405 -5.071 16.009 673 HB3 PHE 80 2HB PHE 80 10.612 -6.627 15.735 674 HD1 PHE 80 HD2 PHE 80 11.204 -8.030 13.810 675 HD2 PHE 80 HD1 PHE 80 13.178 -4.288 14.546 676 HE1 PHE 80 HE2 PHE 80 12.995 -8.668 12.223 677 HE2 PHE 80 HE1 PHE 80 14.976 -4.899 12.954 678 HZ PHE 80 HZ PHE 80 14.878 -7.102 11.771 679 H SER 81 H SER 81 9.610 -2.941 16.017 680 HA SER 81 HA SER 81 7.796 -3.997 18.020 681 HB2 SER 81 1HB SER 81 9.440 -2.205 18.512 682 HB3 SER 81 2HB SER 81 8.582 -1.118 17.399 683 HG SER 81 HG SER 81 8.061 -1.020 19.750 684 H TYR 82 H TYR 82 7.527 -1.736 15.262 685 HA TYR 82 HA TYR 82 4.699 -1.318 15.511 686 HB2 TYR 82 1HB TYR 82 6.810 -0.904 13.442 687 HB3 TYR 82 2HB TYR 82 5.146 -1.040 12.857 688 HD1 TYR 82 HD2 TYR 82 7.466 1.024 14.907 689 HD2 TYR 82 HD1 TYR 82 3.457 0.586 13.409 690 HE1 TYR 82 HE2 TYR 82 6.987 3.398 15.512 691 HE2 TYR 82 HE1 TYR 82 2.988 2.977 14.012 692 HH TYR 82 HH TYR 82 5.416 5.195 15.196 693 H TRP 83 H TRP 83 6.695 -3.677 13.714 694 HA TRP 83 HA TRP 83 4.612 -4.946 12.315 695 HB2 TRP 83 1HB TRP 83 6.962 -5.376 11.842 696 HB3 TRP 83 2HB TRP 83 7.226 -5.960 13.473 697 HD1 TRP 83 HD1 TRP 83 5.605 -7.125 10.193 698 HE1 TRP 83 HE1 TRP 83 5.301 -9.654 10.235 699 HE3 TRP 83 HE3 TRP 83 7.093 -7.924 15.020 700 HZ2 TRP 83 HZ2 TRP 83 5.650 -11.745 12.127 701 HZ3 TRP 83 HZ3 TRP 83 7.110 -10.264 15.895 702 HH2 TRP 83 HH2 TRP 83 6.389 -12.161 14.442 703 H ASN 84 H ASN 84 5.812 -5.489 15.656 704 HA ASN 84 HA ASN 84 4.341 -7.850 16.134 705 HB2 ASN 84 1HB ASN 84 6.274 -7.146 17.441 706 HB3 ASN 84 2HB ASN 84 5.424 -5.683 17.955 707 HD21 ASN 84 2HD2 ASN 84 3.914 -5.753 19.500 708 HD22 ASN 84 1HD2 ASN 84 3.606 -7.172 20.433 709 H LEU 85 H LEU 85 3.506 -4.420 16.307 710 HA LEU 85 HA LEU 85 1.179 -4.661 17.954 711 HB2 LEU 85 1HB LEU 85 2.419 -2.575 17.370 712 HB3 LEU 85 2HB LEU 85 1.803 -2.677 15.735 713 HG LEU 85 HG LEU 85 -0.134 -2.463 18.013 714 HD11 LEU 85 1HD1 LEU 85 1.422 -0.175 16.728 715 HD12 LEU 85 2HD1 LEU 85 1.570 -0.726 18.413 716 HD13 LEU 85 3HD1 LEU 85 0.053 0.004 17.848 717 HD21 LEU 85 3HD2 LEU 85 -1.428 -1.168 16.318 718 HD22 LEU 85 1HD2 LEU 85 -1.069 -2.812 15.769 719 HD23 LEU 85 2HD2 LEU 85 -0.128 -1.445 15.135 720 H ILE 86 H ILE 86 1.680 -4.923 14.414 721 HA ILE 86 HA ILE 86 -1.176 -5.310 13.988 722 HB ILE 86 HB ILE 86 1.112 -5.787 12.062 723 HG12 ILE 86 1HG1 ILE 86 -0.415 -3.475 11.415 724 HG13 ILE 86 2HG1 ILE 86 -0.033 -3.349 13.131 725 HG21 ILE 86 1HG2 ILE 86 -0.700 -5.467 10.341 726 HG22 ILE 86 2HG2 ILE 86 -0.907 -6.921 11.330 727 HG23 ILE 86 3HG2 ILE 86 -1.900 -5.489 11.666 728 HD11 ILE 86 3HD1 ILE 86 1.853 -3.574 10.798 729 HD12 ILE 86 1HD1 ILE 86 1.746 -2.299 12.035 730 HD13 ILE 86 2HD1 ILE 86 2.364 -3.907 12.467 731 H LYS 87 H LYS 87 1.663 -7.307 14.579 732 HA LYS 87 HA LYS 87 0.644 -9.770 13.593 733 HB2 LYS 87 1HB LYS 87 2.746 -10.299 14.163 734 HB3 LYS 87 2HB LYS 87 2.876 -8.879 15.180 735 HG2 LYS 87 1HG LYS 87 1.840 -10.169 17.062 736 HG3 LYS 87 2HG LYS 87 1.860 -11.614 16.036 737 HD2 LYS 87 1HD LYS 87 4.284 -11.528 15.934 738 HD3 LYS 87 2HD LYS 87 4.288 -9.956 16.759 739 HE2 LYS 87 1HE LYS 87 3.076 -11.121 18.692 740 HE3 LYS 87 2HE LYS 87 3.522 -12.655 17.912 741 HZ1 LYS 87 3HZ LYS 87 5.378 -10.532 18.842 742 HZ2 LYS 87 1HZ LYS 87 5.858 -11.903 18.050 743 HZ3 LYS 87 2HZ LYS 87 5.166 -12.011 19.545 744 H GLU 88 H GLU 88 0.284 -8.274 16.858 745 HA GLU 88 HA GLU 88 -1.295 -10.532 17.750 746 HB2 GLU 88 1HB GLU 88 -1.775 -9.132 19.721 747 HB3 GLU 88 2HB GLU 88 -0.055 -9.233 19.338 748 HG2 GLU 88 1HG GLU 88 -0.291 -7.004 18.175 749 HG3 GLU 88 2HG GLU 88 -1.901 -6.887 18.897 750 H LEU 89 H LEU 89 -2.046 -7.516 16.080 751 HA LEU 89 HA LEU 89 -4.868 -7.608 16.596 752 HB2 LEU 89 1HB LEU 89 -3.171 -6.298 14.491 753 HB3 LEU 89 2HB LEU 89 -4.922 -6.263 14.390 754 HG LEU 89 HG LEU 89 -3.352 -5.195 16.756 755 HD11 LEU 89 1HD1 LEU 89 -4.594 -3.700 14.411 756 HD12 LEU 89 2HD1 LEU 89 -2.853 -3.936 14.691 757 HD13 LEU 89 3HD1 LEU 89 -3.811 -2.968 15.828 758 HD21 LEU 89 3HD2 LEU 89 -6.279 -4.901 15.945 759 HD22 LEU 89 1HD2 LEU 89 -5.494 -4.013 17.270 760 HD23 LEU 89 2HD2 LEU 89 -5.654 -5.774 17.363 761 H ILE 90 H ILE 90 -2.849 -8.995 13.972 762 HA ILE 90 HA ILE 90 -5.226 -10.027 12.614 763 HB ILE 90 HB ILE 90 -2.300 -10.851 12.229 764 HG12 ILE 90 1HG1 ILE 90 -3.955 -8.976 10.493 765 HG13 ILE 90 2HG1 ILE 90 -2.881 -8.390 11.763 766 HG21 ILE 90 1HG2 ILE 90 -3.131 -11.686 10.007 767 HG22 ILE 90 2HG2 ILE 90 -3.910 -12.533 11.348 768 HG23 ILE 90 3HG2 ILE 90 -4.788 -11.257 10.474 769 HD11 ILE 90 3HD1 ILE 90 -0.935 -9.470 10.634 770 HD12 ILE 90 1HD1 ILE 90 -2.006 -10.015 9.322 771 HD13 ILE 90 2HD1 ILE 90 -1.743 -8.281 9.588 772 H ASP 91 H ASP 91 -2.745 -11.329 14.857 773 HA ASP 91 HA ASP 91 -3.530 -14.066 14.663 774 HB2 ASP 91 1HB ASP 91 -1.442 -13.042 15.745 775 HB3 ASP 91 2HB ASP 91 -2.449 -12.701 17.158 776 H LYS 92 H LYS 92 -4.724 -11.352 16.619 777 HA LYS 92 HA LYS 92 -6.892 -13.133 17.655 778 HB2 LYS 92 1HB LYS 92 -5.853 -10.482 18.711 779 HB3 LYS 92 2HB LYS 92 -7.170 -11.410 19.417 780 HG2 LYS 92 1HG LYS 92 -4.310 -12.413 19.161 781 HG3 LYS 92 2HG LYS 92 -4.990 -11.684 20.619 782 HD2 LYS 92 1HD LYS 92 -6.203 -14.163 19.327 783 HD3 LYS 92 2HD LYS 92 -4.915 -14.246 20.535 784 HE2 LYS 92 1HE LYS 92 -6.332 -13.059 22.162 785 HE3 LYS 92 2HE LYS 92 -7.629 -12.932 20.951 786 HZ1 LYS 92 3HZ LYS 92 -7.867 -14.825 22.515 787 HZ2 LYS 92 1HZ LYS 92 -6.525 -15.522 21.851 788 HZ3 LYS 92 2HZ LYS 92 -7.875 -15.268 20.928 789 H LYS 93 H LYS 93 -6.977 -12.090 14.964 790 HA LYS 93 HA LYS 93 -8.659 -9.768 14.832 791 HB2 LYS 93 1HB LYS 93 -9.219 -10.461 12.579 792 HB3 LYS 93 2HB LYS 93 -7.493 -10.677 12.867 793 HG2 LYS 93 1HG LYS 93 -7.872 -13.126 13.184 794 HG3 LYS 93 2HG LYS 93 -9.592 -12.887 12.833 795 HD2 LYS 93 1HD LYS 93 -9.214 -12.932 10.619 796 HD3 LYS 93 2HD LYS 93 -8.001 -11.648 10.752 797 HE2 LYS 93 1HE LYS 93 -6.278 -13.319 11.338 798 HE3 LYS 93 2HE LYS 93 -7.487 -14.609 11.231 799 HZ1 LYS 93 3HZ LYS 93 -6.176 -14.462 9.205 800 HZ2 LYS 93 1HZ LYS 93 -6.626 -12.889 8.963 801 HZ3 LYS 93 2HZ LYS 93 -7.751 -14.089 8.873 802 H GLU 94 H GLU 94 -9.273 -13.019 15.767 803 HA GLU 94 HA GLU 94 -12.043 -13.299 15.336 804 HB2 GLU 94 1HB GLU 94 -11.801 -14.723 17.517 805 HB3 GLU 94 2HB GLU 94 -10.946 -15.225 16.052 806 HG2 GLU 94 1HG GLU 94 -8.846 -14.455 16.866 807 HG3 GLU 94 2HG GLU 94 -9.601 -13.492 18.143 808 H VAL 95 H VAL 95 -10.338 -11.517 17.913 809 HA VAL 95 HA VAL 95 -13.003 -10.906 19.133 810 HB VAL 95 HB VAL 95 -11.739 -10.420 21.229 811 HG11 VAL 95 1HG1 VAL 95 -11.310 -12.739 21.845 812 HG12 VAL 95 2HG1 VAL 95 -12.732 -12.674 20.783 813 HG13 VAL 95 3HG1 VAL 95 -11.166 -13.214 20.138 814 HG21 VAL 95 3HG2 VAL 95 -9.532 -9.884 20.147 815 HG22 VAL 95 1HG2 VAL 95 -9.400 -11.056 21.470 816 HG23 VAL 95 2HG2 VAL 95 -9.326 -11.618 19.786 817 H ASN 96 H ASN 96 -11.113 -9.660 16.926 818 HA ASN 96 HA ASN 96 -11.498 -6.844 17.896 819 HB2 ASN 96 1HB ASN 96 -9.186 -8.098 16.393 820 HB3 ASN 96 2HB ASN 96 -9.544 -6.369 16.269 821 HD21 ASN 96 2HD2 ASN 96 -8.150 -8.845 18.183 822 HD22 ASN 96 1HD2 ASN 96 -7.642 -7.799 19.495 823 HA PRO 97 HA PRO 97 -13.784 -7.918 14.051 824 HB2 PRO 97 1HB PRO 97 -16.059 -6.439 14.459 825 HB3 PRO 97 2HB PRO 97 -15.809 -8.077 15.149 826 HG2 PRO 97 1HG PRO 97 -15.338 -5.402 16.450 827 HG3 PRO 97 2HG PRO 97 -16.280 -6.802 17.058 828 HD2 PRO 97 1HD PRO 97 -13.747 -6.401 17.854 829 HD3 PRO 97 2HD PRO 97 -14.336 -8.062 17.492 830 H GLN 98 H GLN 98 -12.912 -4.817 15.464 831 HA GLN 98 HA GLN 98 -13.584 -3.164 13.191 832 HB2 GLN 98 1HB GLN 98 -11.480 -2.900 15.382 833 HB3 GLN 98 2HB GLN 98 -11.714 -1.690 14.121 834 HG2 GLN 98 1HG GLN 98 -12.825 -0.939 16.079 835 HG3 GLN 98 2HG GLN 98 -14.053 -1.371 14.880 836 HE21 GLN 98 2HE2 GLN 98 -15.729 -1.813 16.269 837 HE22 GLN 98 1HE2 GLN 98 -15.697 -3.130 17.416 838 H VAL 99 H VAL 99 -10.752 -5.064 14.192 839 HA VAL 99 HA VAL 99 -9.300 -4.170 11.825 840 HB VAL 99 HB VAL 99 -8.369 -4.712 14.255 841 HG11 VAL 99 1HG1 VAL 99 -9.047 -7.129 14.111 842 HG12 VAL 99 2HG1 VAL 99 -7.839 -7.344 12.826 843 HG13 VAL 99 3HG1 VAL 99 -7.333 -6.865 14.460 844 HG21 VAL 99 3HG2 VAL 99 -6.151 -4.915 13.253 845 HG22 VAL 99 1HG2 VAL 99 -6.876 -5.356 11.696 846 HG23 VAL 99 2HG2 VAL 99 -7.133 -3.731 12.373 847 H MET 100 H MET 100 -11.203 -6.995 12.827 848 HA MET 100 HA MET 100 -10.324 -8.750 10.765 849 HB2 MET 100 1HB MET 100 -11.722 -9.518 12.597 850 HB3 MET 100 2HB MET 100 -13.031 -8.444 12.105 851 HG2 MET 100 1HG MET 100 -13.424 -10.811 11.485 852 HG3 MET 100 2HG MET 100 -13.431 -9.708 10.102 853 HE1 MET 100 3HE MET 100 -11.481 -11.678 7.686 854 HE2 MET 100 1HE MET 100 -13.131 -11.800 8.340 855 HE3 MET 100 2HE MET 100 -12.422 -10.199 8.011 856 H ALA 101 H ALA 101 -12.863 -6.186 10.750 857 HA ALA 101 HA ALA 101 -13.599 -6.701 8.015 858 HB1 ALA 101 3HB ALA 101 -15.043 -5.405 9.507 859 HB2 ALA 101 1HB ALA 101 -13.782 -4.168 9.701 860 HB3 ALA 101 2HB ALA 101 -14.567 -4.393 8.121 861 H ALA 102 H ALA 102 -10.876 -5.058 9.496 862 HA ALA 102 HA ALA 102 -10.168 -3.554 7.098 863 HB1 ALA 102 3HB ALA 102 -8.228 -2.850 8.374 864 HB2 ALA 102 1HB ALA 102 -9.624 -2.810 9.467 865 HB3 ALA 102 2HB ALA 102 -8.455 -4.147 9.554 866 H VAL 103 H VAL 103 -9.383 -6.683 8.596 867 HA VAL 103 HA VAL 103 -7.151 -7.425 6.931 868 HB VAL 103 HB VAL 103 -9.369 -9.104 8.260 869 HG11 VAL 103 1HG1 VAL 103 -8.261 -10.308 6.322 870 HG12 VAL 103 2HG1 VAL 103 -6.752 -10.211 7.250 871 HG13 VAL 103 3HG1 VAL 103 -8.138 -11.094 7.903 872 HG21 VAL 103 3HG2 VAL 103 -6.480 -8.675 9.112 873 HG22 VAL 103 1HG2 VAL 103 -7.883 -7.857 9.818 874 HG23 VAL 103 2HG2 VAL 103 -7.724 -9.602 9.984 875 H ALA 104 H ALA 104 -10.699 -7.970 6.635 876 HA ALA 104 HA ALA 104 -10.554 -9.190 4.072 877 HB1 ALA 104 3HB ALA 104 -12.979 -8.696 3.950 878 HB2 ALA 104 1HB ALA 104 -12.528 -9.342 5.545 879 HB3 ALA 104 2HB ALA 104 -12.831 -7.598 5.344 880 H GLN 105 H GLN 105 -11.062 -5.738 4.995 881 HA GLN 105 HA GLN 105 -11.420 -4.850 2.305 882 HB2 GLN 105 1HB GLN 105 -10.658 -3.517 4.887 883 HB3 GLN 105 2HB GLN 105 -10.372 -2.662 3.364 884 HG2 GLN 105 1HG GLN 105 -12.818 -3.194 2.790 885 HG3 GLN 105 2HG GLN 105 -13.004 -3.580 4.509 886 HE21 GLN 105 2HE2 GLN 105 -13.683 -1.939 5.719 887 HE22 GLN 105 1HE2 GLN 105 -13.413 -0.240 5.387 888 H THR 106 H THR 106 -8.423 -5.203 4.276 889 HA THR 106 HA THR 106 -6.758 -3.871 2.387 890 HB THR 106 HB THR 106 -5.905 -6.183 4.176 891 HG1 THR 106 HG1 THR 106 -6.887 -4.617 5.442 892 HG21 THR 106 1HG2 THR 106 -4.436 -3.816 2.960 893 HG22 THR 106 2HG2 THR 106 -4.184 -5.537 2.580 894 HG23 THR 106 3HG2 THR 106 -3.756 -4.904 4.180 895 H GLU 107 H GLU 107 -7.735 -7.323 2.701 896 HA GLU 107 HA GLU 107 -6.081 -8.296 0.611 897 HB2 GLU 107 1HB GLU 107 -8.839 -9.192 1.527 898 HB3 GLU 107 2HB GLU 107 -7.874 -10.045 0.310 899 HG2 GLU 107 1HG GLU 107 -6.051 -10.250 1.968 900 HG3 GLU 107 2HG GLU 107 -7.115 -9.553 3.186 901 H GLU 108 H GLU 108 -9.459 -7.038 0.457 902 HA GLU 108 HA GLU 108 -9.630 -7.430 -2.372 903 HB2 GLU 108 1HB GLU 108 -11.188 -5.679 -0.457 904 HB3 GLU 108 2HB GLU 108 -11.591 -5.855 -2.173 905 HG2 GLU 108 1HG GLU 108 -11.493 -8.095 -0.124 906 HG3 GLU 108 2HG GLU 108 -12.956 -7.357 -0.798 907 H ILE 109 H ILE 109 -8.553 -4.641 -0.446 908 HA ILE 109 HA ILE 109 -8.460 -2.805 -2.668 909 HB ILE 109 HB ILE 109 -6.831 -2.908 -0.081 910 HG12 ILE 109 1HG1 ILE 109 -9.001 -0.943 -0.868 911 HG13 ILE 109 2HG1 ILE 109 -9.407 -2.493 -0.142 912 HG21 ILE 109 1HG2 ILE 109 -5.507 -1.635 -1.734 913 HG22 ILE 109 2HG2 ILE 109 -6.943 -0.722 -2.239 914 HG23 ILE 109 3HG2 ILE 109 -6.255 -0.483 -0.618 915 HD11 ILE 109 3HD1 ILE 109 -7.793 -0.259 1.117 916 HD12 ILE 109 1HD1 ILE 109 -9.381 -0.888 1.612 917 HD13 ILE 109 2HD1 ILE 109 -7.932 -1.891 1.816 918 H LEU 110 H LEU 110 -6.166 -5.231 -1.338 919 HA LEU 110 HA LEU 110 -4.039 -4.484 -3.086 920 HB2 LEU 110 1HB LEU 110 -4.718 -6.689 -1.248 921 HB3 LEU 110 2HB LEU 110 -3.658 -7.156 -2.564 922 HG LEU 110 HG LEU 110 -2.400 -6.532 -0.530 923 HD11 LEU 110 1HD1 LEU 110 -1.408 -6.283 -2.769 924 HD12 LEU 110 2HD1 LEU 110 -0.786 -5.067 -1.632 925 HD13 LEU 110 3HD1 LEU 110 -1.990 -4.608 -2.847 926 HD21 LEU 110 3HD2 LEU 110 -3.895 -4.743 0.344 927 HD22 LEU 110 1HD2 LEU 110 -3.400 -3.684 -0.989 928 HD23 LEU 110 2HD2 LEU 110 -2.214 -4.214 0.220 929 H LYS 111 H LYS 111 -6.901 -6.388 -3.740 930 HA LYS 111 HA LYS 111 -5.763 -7.898 -5.935 931 HB2 LYS 111 1HB LYS 111 -8.655 -7.008 -5.633 932 HB3 LYS 111 2HB LYS 111 -8.063 -8.381 -6.570 933 HG2 LYS 111 1HG LYS 111 -7.858 -8.135 -3.571 934 HG3 LYS 111 2HG LYS 111 -9.191 -8.940 -4.383 935 HD2 LYS 111 1HD LYS 111 -7.754 -10.675 -5.192 936 HD3 LYS 111 2HD LYS 111 -6.295 -9.773 -4.729 937 HE2 LYS 111 1HE LYS 111 -6.729 -11.547 -3.097 938 HE3 LYS 111 2HE LYS 111 -6.878 -9.951 -2.357 939 HZ1 LYS 111 3HZ LYS 111 -9.143 -11.678 -3.162 940 HZ2 LYS 111 1HZ LYS 111 -9.303 -10.171 -2.518 941 HZ3 LYS 111 2HZ LYS 111 -8.639 -11.383 -1.621 942 H SER 112 H SER 112 -7.377 -4.764 -5.612 943 HA SER 112 HA SER 112 -7.192 -4.215 -8.498 944 HB2 SER 112 1HB SER 112 -9.090 -3.352 -7.149 945 HB3 SER 112 2HB SER 112 -7.956 -2.429 -6.148 946 HG SER 112 HG SER 112 -7.286 -1.419 -8.205 947 H ASN 113 H ASN 113 -5.866 -2.866 -5.490 948 HA ASN 113 HA ASN 113 -4.229 -1.381 -5.049 949 HB2 ASN 113 1HB ASN 113 -3.019 -3.546 -5.907 950 HB3 ASN 113 2HB ASN 113 -2.532 -2.512 -7.256 951 HD21 ASN 113 2HD2 ASN 113 -2.740 -2.492 -3.701 952 HD22 ASN 113 1HD2 ASN 113 -1.245 -1.635 -3.450 953 H SER 114 H SER 114 -2.233 -0.203 -6.802 954 HA SER 114 HA SER 114 -1.995 1.737 -7.983 955 HB2 SER 114 1HB SER 114 -2.503 -0.004 -9.740 956 HB3 SER 114 2HB SER 114 -4.164 0.616 -9.781 957 HG SER 114 HG SER 114 -3.257 2.683 -10.269 958 H GLN 115 H GLN 115 -3.760 2.027 -5.801 959 HA GLN 115 HA GLN 115 -6.088 3.578 -6.733 960 HB2 GLN 115 1HB GLN 115 -4.889 3.331 -3.968 961 HB3 GLN 115 2HB GLN 115 -6.480 3.971 -4.339 962 HG2 GLN 115 1HG GLN 115 -5.653 1.104 -4.947 963 HG3 GLN 115 2HG GLN 115 -6.359 1.593 -3.409 964 HE21 GLN 115 2HE2 GLN 115 -6.962 0.727 -6.665 965 HE22 GLN 115 1HE2 GLN 115 -8.700 0.949 -6.616 966 H THR 116 H THR 116 -2.770 4.058 -6.233 967 HA THR 116 HA THR 116 -3.077 7.025 -6.406 968 HB THR 116 HB THR 116 -0.798 5.517 -5.007 969 HG1 THR 116 HG1 THR 116 -2.734 7.128 -3.707 970 HG21 THR 116 1HG2 THR 116 -0.093 7.694 -5.850 971 HG22 THR 116 2HG2 THR 116 -0.288 7.790 -4.087 972 HG23 THR 116 3HG2 THR 116 -1.538 8.471 -5.151 973 H ASP 117 H ASP 117 -1.466 7.925 -7.931 974 HA ASP 117 HA ASP 117 -0.781 5.965 -9.987 975 HB2 ASP 117 1HB ASP 117 -0.207 7.925 -11.317 976 HB3 ASP 117 2HB ASP 117 -1.792 8.149 -10.565 977 H LEU 118 H LEU 118 1.290 5.892 -10.966 978 HA LEU 118 HA LEU 118 3.489 5.457 -10.961 979 HB2 LEU 118 1HB LEU 118 3.691 8.014 -9.356 980 HB3 LEU 118 2HB LEU 118 4.893 7.304 -10.429 981 HG LEU 118 HG LEU 118 2.225 8.400 -11.344 982 HD11 LEU 118 1HD1 LEU 118 3.537 10.314 -12.176 983 HD12 LEU 118 2HD1 LEU 118 5.006 9.639 -11.427 984 HD13 LEU 118 3HD1 LEU 118 3.635 10.166 -10.414 985 HD21 LEU 118 3HD2 LEU 118 4.709 7.542 -12.906 986 HD22 LEU 118 1HD2 LEU 118 3.275 8.335 -13.600 987 HD23 LEU 118 2HD2 LEU 118 3.133 6.716 -12.897 988 H GLU 119 H GLU 119 5.219 6.687 -8.644 989 HA GLU 119 HA GLU 119 4.562 4.817 -6.480 990 HB2 GLU 119 1HB GLU 119 6.694 3.709 -6.467 991 HB3 GLU 119 2HB GLU 119 5.988 3.500 -8.070 992 HG2 GLU 119 1HG GLU 119 7.989 4.130 -8.859 993 HG3 GLU 119 2HG GLU 119 7.538 5.777 -8.401 994 H HIS 120 H HIS 120 5.954 5.317 -4.568 995 HA HIS 120 HA HIS 120 7.208 7.995 -4.738 996 HB2 HIS 120 1HB HIS 120 4.648 7.931 -4.111 997 HB3 HIS 120 2HB HIS 120 5.242 7.472 -2.518 998 HD1 HIS 120 HD1 HIS 120 5.094 10.327 -4.983 999 HD2 HIS 120 HD2 HIS 120 6.584 9.569 -1.140 1000 HE1 HIS 120 HE1 HIS 120 5.708 12.589 -3.968 1001 H HIS 121 H HIS 121 8.834 5.955 -4.569 1002 HA HIS 121 HA HIS 121 9.248 4.726 -2.038 1003 HB2 HIS 121 1HB HIS 121 10.807 5.139 -4.511 1004 HB3 HIS 121 2HB HIS 121 11.810 5.042 -3.059 1005 HD1 HIS 121 HD1 HIS 121 10.159 2.926 -5.548 1006 HD2 HIS 121 HD2 HIS 121 11.227 2.556 -1.490 1007 HE1 HIS 121 HE1 HIS 121 10.195 0.430 -4.982 1008 H HIS 122 H HIS 122 11.112 7.533 -3.323 1009 HA HIS 122 HA HIS 122 10.930 8.982 -0.850 1010 HB2 HIS 122 1HB HIS 122 13.096 7.032 -1.004 1011 HB3 HIS 122 2HB HIS 122 13.733 8.673 -0.841 1012 HD1 HIS 122 HD1 HIS 122 12.637 10.124 1.262 1013 HD2 HIS 122 HD2 HIS 122 12.272 5.948 1.380 1014 HE1 HIS 122 HE1 HIS 122 12.105 9.492 3.674 1015 H HIS 123 H HIS 123 13.527 8.504 -3.314 1016 HA HIS 123 HA HIS 123 13.156 11.182 -4.415 1017 HB2 HIS 123 1HB HIS 123 15.336 12.070 -3.692 1018 HB3 HIS 123 2HB HIS 123 14.307 11.748 -2.298 1019 HD1 HIS 123 HD1 HIS 123 17.148 11.984 -1.553 1020 HD2 HIS 123 HD2 HIS 123 15.643 8.348 -3.002 1021 HE1 HIS 123 HE1 HIS 123 18.720 10.157 -0.747 1022 H HIS 124 H HIS 124 14.940 11.577 -6.101 1023 HA HIS 124 HA HIS 124 15.501 9.070 -7.521 1024 HB2 HIS 124 1HB HIS 124 16.284 11.965 -8.074 1025 HB3 HIS 124 2HB HIS 124 16.713 10.604 -9.117 1026 HD1 HIS 124 HD1 HIS 124 14.475 9.126 -9.980 1027 HD2 HIS 124 HD2 HIS 124 13.914 13.127 -8.844 1028 HE1 HIS 124 HE1 HIS 124 12.276 9.895 -11.020 1029 H HIS 125 H HIS 125 17.328 11.526 -5.693 1030 HA HIS 125 HA HIS 125 19.446 9.609 -5.073 1031 HB2 HIS 125 1HB HIS 125 20.112 10.783 -7.303 1032 HB3 HIS 125 2HB HIS 125 20.133 12.286 -6.371 1033 HD1 HIS 125 HD1 HIS 125 21.568 11.399 -3.789 1034 HD2 HIS 125 HD2 HIS 125 22.774 10.224 -7.637 1035 HE1 HIS 125 HE1 HIS 125 24.055 10.790 -3.650 Start of MODEL 15 1 H21 MYR 1 1H2 MYR 1 0.983 0.327 -0.935 2 H22 MYR 1 2H2 MYR 1 2.208 0.040 0.291 3 H31 MYR 1 1H3 MYR 1 -0.414 -1.555 -0.005 4 H32 MYR 1 2H3 MYR 1 1.167 -2.086 -0.572 5 H41 MYR 1 1H4 MYR 1 1.981 -1.872 1.896 6 H42 MYR 1 2H4 MYR 1 0.290 -1.662 2.342 7 H51 MYR 1 1H5 MYR 1 -0.259 -3.911 1.370 8 H52 MYR 1 2H5 MYR 1 1.397 -4.093 0.817 9 H61 MYR 1 1H6 MYR 1 1.365 -5.369 2.787 10 H62 MYR 1 2H6 MYR 1 2.112 -3.871 3.308 11 H71 MYR 1 1H7 MYR 1 -0.128 -3.108 4.229 12 H72 MYR 1 2H7 MYR 1 -0.846 -4.640 3.722 13 H81 MYR 1 1H8 MYR 1 0.652 -5.901 5.266 14 H82 MYR 1 2H8 MYR 1 1.531 -4.430 5.645 15 H91 MYR 1 1H9 MYR 1 -0.767 -3.501 6.474 16 H92 MYR 1 2H9 MYR 1 0.170 -4.549 7.515 17 H101 MYR 1 1H10 MYR 1 -1.291 -6.416 7.181 18 H102 MYR 1 2H10 MYR 1 -1.995 -5.737 5.714 19 H111 MYR 1 1H11 MYR 1 -2.365 -4.533 8.521 20 H112 MYR 1 2H11 MYR 1 -3.078 -3.912 7.033 21 H121 MYR 1 1H12 MYR 1 -4.302 -6.120 6.751 22 H122 MYR 1 2H12 MYR 1 -3.692 -6.641 8.317 23 H131 MYR 1 1H13 MYR 1 -5.270 -4.015 8.013 24 H132 MYR 1 2H13 MYR 1 -6.094 -5.548 8.129 25 H141 MYR 1 1H14 MYR 1 -5.034 -6.005 10.348 26 H142 MYR 1 2H14 MYR 1 -4.221 -4.426 10.269 27 H143 MYR 1 3H14 MYR 1 -5.990 -4.515 10.345 28 H GLY 2 H GLY 2 1.981 0.930 2.236 29 HA2 GLY 2 1HA GLY 2 -0.349 1.567 3.674 30 HA3 GLY 2 2HA GLY 2 1.250 2.256 3.957 31 H GLN 3 H GLN 3 1.502 3.547 1.385 32 HA GLN 3 HA GLN 3 0.128 5.996 1.974 33 HB2 GLN 3 1HB GLN 3 1.029 6.739 -0.219 34 HB3 GLN 3 2HB GLN 3 2.236 6.018 0.846 35 HG2 GLN 3 1HG GLN 3 1.823 3.825 -0.490 36 HG3 GLN 3 2HG GLN 3 1.068 4.879 -1.692 37 HE21 GLN 3 2HE2 GLN 3 3.863 3.387 -0.812 38 HE22 GLN 3 1HE2 GLN 3 5.007 4.436 -1.627 39 H GLU 4 H GLU 4 -0.626 3.316 -0.293 40 HA GLU 4 HA GLU 4 -2.922 4.711 -1.427 41 HB2 GLU 4 1HB GLU 4 -2.046 3.102 -2.861 42 HB3 GLU 4 2HB GLU 4 -1.736 1.954 -1.565 43 HG2 GLU 4 1HG GLU 4 -3.498 1.127 -3.000 44 HG3 GLU 4 2HG GLU 4 -4.129 1.436 -1.388 45 H LEU 5 H LEU 5 -2.303 2.387 1.208 46 HA LEU 5 HA LEU 5 -5.048 1.868 1.778 47 HB2 LEU 5 1HB LEU 5 -2.602 1.873 3.562 48 HB3 LEU 5 2HB LEU 5 -4.189 1.350 4.090 49 HG LEU 5 HG LEU 5 -2.623 0.075 1.829 50 HD11 LEU 5 1HD1 LEU 5 -2.249 -1.779 3.372 51 HD12 LEU 5 2HD1 LEU 5 -3.115 -0.906 4.658 52 HD13 LEU 5 3HD1 LEU 5 -1.573 -0.276 4.027 53 HD21 LEU 5 3HD2 LEU 5 -4.268 -1.740 1.968 54 HD22 LEU 5 1HD2 LEU 5 -5.040 -0.213 1.533 55 HD23 LEU 5 2HD2 LEU 5 -5.184 -0.833 3.195 56 H SER 6 H SER 6 -2.875 4.488 2.933 57 HA SER 6 HA SER 6 -4.812 5.819 4.534 58 HB2 SER 6 1HB SER 6 -2.633 7.078 2.822 59 HB3 SER 6 2HB SER 6 -3.424 7.809 4.230 60 HG SER 6 HG SER 6 -1.728 5.523 4.175 61 H GLN 7 H GLN 7 -4.360 5.818 1.016 62 HA GLN 7 HA GLN 7 -6.091 8.126 0.579 63 HB2 GLN 7 1HB GLN 7 -4.232 7.379 -0.936 64 HB3 GLN 7 2HB GLN 7 -5.180 5.948 -1.345 65 HG2 GLN 7 1HG GLN 7 -6.873 7.281 -2.413 66 HG3 GLN 7 2HG GLN 7 -6.153 8.777 -1.795 67 HE21 GLN 7 2HE2 GLN 7 -4.811 5.879 -3.491 68 HE22 GLN 7 1HE2 GLN 7 -4.040 6.828 -4.743 69 H HIS 8 H HIS 8 -6.465 4.672 0.964 70 HA HIS 8 HA HIS 8 -9.105 4.594 -0.303 71 HB2 HIS 8 1HB HIS 8 -7.116 2.762 0.159 72 HB3 HIS 8 2HB HIS 8 -8.262 2.306 1.398 73 HD1 HIS 8 HD1 HIS 8 -7.606 2.213 -2.282 74 HD2 HIS 8 HD2 HIS 8 -10.808 1.402 0.327 75 HE1 HIS 8 HE1 HIS 8 -9.344 0.892 -3.604 76 H GLU 9 H GLU 9 -10.118 6.274 1.025 77 HA GLU 9 HA GLU 9 -10.254 6.305 3.781 78 HB2 GLU 9 1HB GLU 9 -11.633 7.558 1.644 79 HB3 GLU 9 2HB GLU 9 -12.838 7.058 2.834 80 HG2 GLU 9 1HG GLU 9 -10.357 8.724 3.422 81 HG3 GLU 9 2HG GLU 9 -11.995 9.362 3.225 82 H ARG 10 H ARG 10 -12.207 4.136 1.733 83 HA ARG 10 HA ARG 10 -14.050 3.372 3.812 84 HB2 ARG 10 1HB ARG 10 -13.026 1.888 1.370 85 HB3 ARG 10 2HB ARG 10 -14.178 1.190 2.510 86 HG2 ARG 10 1HG ARG 10 -15.635 3.264 2.089 87 HG3 ARG 10 2HG ARG 10 -14.575 3.580 0.698 88 HD2 ARG 10 1HD ARG 10 -16.477 2.310 -0.093 89 HD3 ARG 10 2HD ARG 10 -15.065 1.232 -0.099 90 HE ARG 10 HE ARG 10 -16.737 1.193 2.334 91 HH11 ARG 10 1HH1 ARG 10 -16.014 -0.425 -0.734 92 HH12 ARG 10 2HH1 ARG 10 -16.733 -1.923 -0.213 93 HH21 ARG 10 1HH2 ARG 10 -17.659 -0.738 2.901 94 HH22 ARG 10 2HH2 ARG 10 -17.648 -2.094 1.803 95 H TYR 11 H TYR 11 -10.706 2.422 3.222 96 HA TYR 11 HA TYR 11 -10.903 0.210 5.184 97 HB2 TYR 11 1HB TYR 11 -9.469 -0.262 3.376 98 HB3 TYR 11 2HB TYR 11 -8.726 1.340 3.426 99 HD1 TYR 11 HD2 TYR 11 -9.093 -1.765 5.530 100 HD2 TYR 11 HD1 TYR 11 -6.689 1.655 4.524 101 HE1 TYR 11 HE2 TYR 11 -7.244 -2.628 6.952 102 HE2 TYR 11 HE1 TYR 11 -4.857 0.765 5.951 103 HH TYR 11 HH TYR 11 -4.154 -0.896 7.299 104 H VAL 12 H VAL 12 -9.628 3.496 4.781 105 HA VAL 12 HA VAL 12 -8.337 3.727 7.305 106 HB VAL 12 HB VAL 12 -9.776 5.851 5.660 107 HG11 VAL 12 1HG1 VAL 12 -7.850 6.111 7.975 108 HG12 VAL 12 2HG1 VAL 12 -8.224 7.436 6.849 109 HG13 VAL 12 3HG1 VAL 12 -9.498 6.739 7.845 110 HG21 VAL 12 3HG2 VAL 12 -7.528 6.413 4.846 111 HG22 VAL 12 1HG2 VAL 12 -6.840 5.075 5.794 112 HG23 VAL 12 2HG2 VAL 12 -7.938 4.744 4.445 113 H GLU 13 H GLU 13 -11.750 3.909 6.332 114 HA GLU 13 HA GLU 13 -12.942 4.943 8.626 115 HB2 GLU 13 1HB GLU 13 -13.976 4.222 6.444 116 HB3 GLU 13 2HB GLU 13 -13.922 2.561 7.041 117 HG2 GLU 13 1HG GLU 13 -15.428 3.124 8.858 118 HG3 GLU 13 2HG GLU 13 -15.400 4.832 8.377 119 H GLN 14 H GLN 14 -12.042 1.507 8.048 120 HA GLN 14 HA GLN 14 -12.749 0.779 10.793 121 HB2 GLN 14 1HB GLN 14 -11.284 -0.707 8.587 122 HB3 GLN 14 2HB GLN 14 -11.679 -1.397 10.163 123 HG2 GLN 14 1HG GLN 14 -13.666 -0.412 8.089 124 HG3 GLN 14 2HG GLN 14 -13.309 -2.098 8.495 125 HE21 GLN 14 2HE2 GLN 14 -13.396 -2.360 11.097 126 HE22 GLN 14 1HE2 GLN 14 -14.902 -1.773 11.776 127 H LEU 15 H LEU 15 -9.764 1.553 8.994 128 HA LEU 15 HA LEU 15 -8.023 0.663 11.080 129 HB2 LEU 15 1HB LEU 15 -7.436 1.075 8.674 130 HB3 LEU 15 2HB LEU 15 -7.475 2.804 9.019 131 HG LEU 15 HG LEU 15 -5.666 2.498 10.672 132 HD11 LEU 15 1HD1 LEU 15 -5.915 0.193 11.366 133 HD12 LEU 15 2HD1 LEU 15 -4.330 0.358 10.599 134 HD13 LEU 15 3HD1 LEU 15 -5.677 -0.387 9.704 135 HD21 LEU 15 3HD2 LEU 15 -3.896 2.267 9.114 136 HD22 LEU 15 1HD2 LEU 15 -5.253 3.053 8.282 137 HD23 LEU 15 2HD2 LEU 15 -4.918 1.336 8.010 138 H LYS 16 H LYS 16 -9.763 3.713 10.619 139 HA LYS 16 HA LYS 16 -8.343 5.259 12.601 140 HB2 LYS 16 1HB LYS 16 -11.157 5.350 11.476 141 HB3 LYS 16 2HB LYS 16 -10.673 6.416 12.801 142 HG2 LYS 16 1HG LYS 16 -8.917 7.418 11.444 143 HG3 LYS 16 2HG LYS 16 -9.248 6.310 10.120 144 HD2 LYS 16 1HD LYS 16 -11.250 8.376 11.160 145 HD3 LYS 16 2HD LYS 16 -10.174 8.621 9.775 146 HE2 LYS 16 1HE LYS 16 -11.294 6.341 8.957 147 HE3 LYS 16 2HE LYS 16 -12.608 6.873 10.007 148 HZ1 LYS 16 3HZ LYS 16 -12.935 7.627 7.731 149 HZ2 LYS 16 1HZ LYS 16 -11.478 8.375 7.689 150 HZ3 LYS 16 2HZ LYS 16 -12.670 8.948 8.682 151 H GLN 17 H GLN 17 -11.028 2.934 12.754 152 HA GLN 17 HA GLN 17 -11.480 3.288 15.589 153 HB2 GLN 17 1HB GLN 17 -12.026 0.872 13.824 154 HB3 GLN 17 2HB GLN 17 -12.700 1.148 15.424 155 HG2 GLN 17 1HG GLN 17 -14.063 2.944 14.640 156 HG3 GLN 17 2HG GLN 17 -13.198 3.023 13.100 157 HE21 GLN 17 2HE2 GLN 17 -14.607 2.474 11.577 158 HE22 GLN 17 1HE2 GLN 17 -15.580 1.018 11.588 159 H ALA 18 H ALA 18 -9.555 1.034 13.577 160 HA ALA 18 HA ALA 18 -8.689 -0.591 15.709 161 HB1 ALA 18 3HB ALA 18 -7.290 -0.023 13.078 162 HB2 ALA 18 1HB ALA 18 -6.993 -1.412 14.146 163 HB3 ALA 18 2HB ALA 18 -8.573 -1.228 13.346 164 H LEU 19 H LEU 19 -6.983 2.305 14.281 165 HA LEU 19 HA LEU 19 -4.657 2.052 15.970 166 HB2 LEU 19 1HB LEU 19 -5.900 4.279 14.386 167 HB3 LEU 19 2HB LEU 19 -4.871 4.748 15.726 168 HG LEU 19 HG LEU 19 -3.080 3.188 14.601 169 HD11 LEU 19 1HD1 LEU 19 -4.987 3.785 12.330 170 HD12 LEU 19 2HD1 LEU 19 -4.338 2.211 12.837 171 HD13 LEU 19 3HD1 LEU 19 -3.272 3.418 12.070 172 HD21 LEU 19 3HD2 LEU 19 -2.733 5.588 14.843 173 HD22 LEU 19 1HD2 LEU 19 -3.854 5.928 13.506 174 HD23 LEU 19 2HD2 LEU 19 -2.299 5.125 13.176 175 H LYS 20 H LYS 20 -7.829 3.625 16.386 176 HA LYS 20 HA LYS 20 -7.229 4.842 18.910 177 HB2 LYS 20 1HB LYS 20 -9.098 5.482 17.400 178 HB3 LYS 20 2HB LYS 20 -9.907 3.959 17.775 179 HG2 LYS 20 1HG LYS 20 -10.076 4.624 20.142 180 HG3 LYS 20 2HG LYS 20 -9.276 6.163 19.760 181 HD2 LYS 20 1HD LYS 20 -11.094 6.744 18.210 182 HD3 LYS 20 2HD LYS 20 -11.887 5.190 18.528 183 HE2 LYS 20 1HE LYS 20 -11.330 7.312 20.642 184 HE3 LYS 20 2HE LYS 20 -12.877 7.119 19.795 185 HZ1 LYS 20 3HZ LYS 20 -12.894 5.992 21.932 186 HZ2 LYS 20 1HZ LYS 20 -11.604 5.055 21.505 187 HZ3 LYS 20 2HZ LYS 20 -13.043 4.887 20.718 188 H THR 21 H THR 21 -8.729 1.654 18.109 189 HA THR 21 HA THR 21 -9.239 1.112 20.907 190 HB THR 21 HB THR 21 -10.394 0.090 18.761 191 HG1 THR 21 HG1 THR 21 -9.786 -1.500 21.044 192 HG21 THR 21 1HG2 THR 21 -8.318 -1.030 17.890 193 HG22 THR 21 2HG2 THR 21 -9.650 -2.153 18.197 194 HG23 THR 21 3HG2 THR 21 -8.303 -2.058 19.343 195 H ARG 22 H ARG 22 -6.465 0.682 18.822 196 HA ARG 22 HA ARG 22 -5.134 -1.248 20.525 197 HB2 ARG 22 1HB ARG 22 -4.554 -0.803 18.124 198 HB3 ARG 22 2HB ARG 22 -3.965 0.782 18.601 199 HG2 ARG 22 1HG ARG 22 -2.015 -0.479 18.404 200 HG3 ARG 22 2HG ARG 22 -2.301 -0.484 20.141 201 HD2 ARG 22 1HD ARG 22 -3.117 -2.730 18.253 202 HD3 ARG 22 2HD ARG 22 -1.608 -2.708 19.171 203 HE ARG 22 HE ARG 22 -4.290 -3.279 20.180 204 HH11 ARG 22 1HH1 ARG 22 -0.979 -2.492 21.106 205 HH12 ARG 22 2HH1 ARG 22 -1.218 -3.032 22.740 206 HH21 ARG 22 1HH2 ARG 22 -4.499 -3.969 22.270 207 HH22 ARG 22 2HH2 ARG 22 -3.161 -3.871 23.375 208 H GLY 23 H GLY 23 -5.728 2.170 20.617 209 HA2 GLY 23 1HA GLY 23 -5.413 3.622 22.387 210 HA3 GLY 23 2HA GLY 23 -4.660 2.306 23.311 211 H VAL 24 H VAL 24 -3.351 2.687 20.211 212 HA VAL 24 HA VAL 24 -0.828 3.634 21.365 213 HB VAL 24 HB VAL 24 -0.947 1.692 19.776 214 HG11 VAL 24 1HG1 VAL 24 -1.334 2.020 17.392 215 HG12 VAL 24 2HG1 VAL 24 -2.754 2.567 18.295 216 HG13 VAL 24 3HG1 VAL 24 -1.616 3.758 17.633 217 HG21 VAL 24 3HG2 VAL 24 1.135 2.990 20.068 218 HG22 VAL 24 1HG2 VAL 24 0.989 2.288 18.447 219 HG23 VAL 24 2HG2 VAL 24 0.666 4.012 18.688 220 H LYS 25 H LYS 25 0.246 5.557 20.722 221 HA LYS 25 HA LYS 25 -1.548 7.561 19.389 222 HB2 LYS 25 1HB LYS 25 0.490 7.931 21.619 223 HB3 LYS 25 2HB LYS 25 -0.195 9.261 20.680 224 HG2 LYS 25 1HG LYS 25 -1.610 9.320 22.479 225 HG3 LYS 25 2HG LYS 25 -2.509 8.205 21.437 226 HD2 LYS 25 1HD LYS 25 -1.433 6.292 22.665 227 HD3 LYS 25 2HD LYS 25 -0.675 7.464 23.756 228 HE2 LYS 25 1HE LYS 25 -2.880 8.242 24.488 229 HE3 LYS 25 2HE LYS 25 -3.673 7.179 23.301 230 HZ1 LYS 25 3HZ LYS 25 -3.648 6.170 25.496 231 HZ2 LYS 25 1HZ LYS 25 -2.000 6.247 25.565 232 HZ3 LYS 25 2HZ LYS 25 -2.735 5.273 24.450 233 H VAL 26 H VAL 26 -0.750 6.897 17.372 234 HA VAL 26 HA VAL 26 1.924 8.056 16.720 235 HB VAL 26 HB VAL 26 0.808 5.337 15.828 236 HG11 VAL 26 1HG1 VAL 26 1.692 6.442 13.846 237 HG12 VAL 26 2HG1 VAL 26 3.190 6.871 14.708 238 HG13 VAL 26 3HG1 VAL 26 2.811 5.174 14.356 239 HG21 VAL 26 3HG2 VAL 26 2.131 5.398 17.974 240 HG22 VAL 26 1HG2 VAL 26 2.898 4.423 16.705 241 HG23 VAL 26 2HG2 VAL 26 3.506 6.055 17.069 242 H LYS 27 H LYS 27 1.748 9.368 14.910 243 HA LYS 27 HA LYS 27 -0.903 10.129 14.093 244 HB2 LYS 27 1HB LYS 27 0.180 11.622 12.517 245 HB3 LYS 27 2HB LYS 27 1.007 11.690 14.077 246 HG2 LYS 27 1HG LYS 27 2.659 10.010 13.048 247 HG3 LYS 27 2HG LYS 27 1.943 10.447 11.497 248 HD2 LYS 27 1HD LYS 27 3.390 12.173 11.422 249 HD3 LYS 27 2HD LYS 27 2.463 12.908 12.740 250 HE2 LYS 27 1HE LYS 27 4.666 12.920 13.560 251 HE3 LYS 27 2HE LYS 27 3.954 11.503 14.341 252 HZ1 LYS 27 3HZ LYS 27 5.687 11.406 11.921 253 HZ2 LYS 27 1HZ LYS 27 5.103 10.092 12.729 254 HZ3 LYS 27 2HZ LYS 27 6.195 11.083 13.451 255 H PHE 28 H PHE 28 -1.983 9.774 12.130 256 HA PHE 28 HA PHE 28 -1.992 7.124 11.322 257 HB2 PHE 28 1HB PHE 28 -3.495 9.403 10.860 258 HB3 PHE 28 2HB PHE 28 -2.937 8.971 9.240 259 HD1 PHE 28 HD2 PHE 28 -4.791 7.773 12.227 260 HD2 PHE 28 HD1 PHE 28 -3.826 7.052 8.098 261 HE1 PHE 28 HE2 PHE 28 -6.526 6.006 12.138 262 HE2 PHE 28 HE1 PHE 28 -5.579 5.293 7.994 263 HZ PHE 28 HZ PHE 28 -6.937 4.766 10.020 264 H ALA 29 H ALA 29 -0.377 9.826 9.601 265 HA ALA 29 HA ALA 29 0.273 8.285 7.288 266 HB1 ALA 29 3HB ALA 29 1.662 10.747 8.448 267 HB2 ALA 29 1HB ALA 29 1.854 10.119 6.795 268 HB3 ALA 29 2HB ALA 29 0.280 10.756 7.321 269 H ASP 30 H ASP 30 1.778 8.562 10.434 270 HA ASP 30 HA ASP 30 4.356 7.464 9.604 271 HB2 ASP 30 1HB ASP 30 3.989 9.050 11.494 272 HB3 ASP 30 2HB ASP 30 3.105 7.789 12.359 273 H LEU 31 H LEU 31 1.356 6.336 11.203 274 HA LEU 31 HA LEU 31 2.300 3.713 11.775 275 HB2 LEU 31 1HB LEU 31 0.183 4.727 12.632 276 HB3 LEU 31 2HB LEU 31 -0.523 4.582 11.025 277 HG LEU 31 HG LEU 31 -1.080 2.863 12.920 278 HD11 LEU 31 1HD1 LEU 31 -1.612 1.185 11.266 279 HD12 LEU 31 2HD1 LEU 31 -0.437 1.872 10.127 280 HD13 LEU 31 3HD1 LEU 31 -1.888 2.791 10.572 281 HD21 LEU 31 3HD2 LEU 31 0.229 0.862 12.952 282 HD22 LEU 31 1HD2 LEU 31 1.297 2.225 13.348 283 HD23 LEU 31 2HD2 LEU 31 1.341 1.496 11.722 284 H LEU 32 H LEU 32 0.299 4.849 9.022 285 HA LEU 32 HA LEU 32 0.632 2.430 7.523 286 HB2 LEU 32 1HB LEU 32 -0.019 5.258 6.709 287 HB3 LEU 32 2HB LEU 32 0.239 4.016 5.505 288 HG LEU 32 HG LEU 32 -2.069 4.175 5.756 289 HD11 LEU 32 1HD1 LEU 32 -2.834 2.047 6.457 290 HD12 LEU 32 2HD1 LEU 32 -1.432 1.813 7.524 291 HD13 LEU 32 3HD1 LEU 32 -1.223 1.823 5.757 292 HD21 LEU 32 3HD2 LEU 32 -2.012 5.434 7.793 293 HD22 LEU 32 1HD2 LEU 32 -1.717 3.936 8.717 294 HD23 LEU 32 2HD2 LEU 32 -3.238 4.167 7.799 295 H LYS 33 H LYS 33 2.972 4.990 7.955 296 HA LYS 33 HA LYS 33 4.409 4.403 5.515 297 HB2 LYS 33 1HB LYS 33 4.856 6.434 6.830 298 HB3 LYS 33 2HB LYS 33 5.486 5.458 8.153 299 HG2 LYS 33 1HG LYS 33 7.241 6.539 6.725 300 HG3 LYS 33 2HG LYS 33 7.399 4.790 6.918 301 HD2 LYS 33 1HD LYS 33 7.883 5.480 4.576 302 HD3 LYS 33 2HD LYS 33 6.489 4.414 4.648 303 HE2 LYS 33 1HE LYS 33 5.021 6.525 4.593 304 HE3 LYS 33 2HE LYS 33 6.504 7.410 4.173 305 HZ1 LYS 33 3HZ LYS 33 5.217 5.206 2.642 306 HZ2 LYS 33 1HZ LYS 33 6.727 5.783 2.288 307 HZ3 LYS 33 2HZ LYS 33 5.411 6.771 2.161 308 H PHE 34 H PHE 34 4.333 2.856 8.711 309 HA PHE 34 HA PHE 34 6.521 1.062 8.014 310 HB2 PHE 34 1HB PHE 34 4.511 1.185 10.233 311 HB3 PHE 34 2HB PHE 34 5.517 -0.246 10.002 312 HD1 PHE 34 HD2 PHE 34 5.723 3.470 10.470 313 HD2 PHE 34 HD1 PHE 34 7.764 -0.304 10.743 314 HE1 PHE 34 HE2 PHE 34 7.609 4.593 11.620 315 HE2 PHE 34 HE1 PHE 34 9.678 0.816 11.877 316 HZ PHE 34 HZ PHE 34 9.601 3.272 12.321 317 H PHE 35 H PHE 35 3.084 1.154 7.345 318 HA PHE 35 HA PHE 35 2.895 -1.661 6.601 319 HB2 PHE 35 1HB PHE 35 1.204 0.766 5.888 320 HB3 PHE 35 2HB PHE 35 0.887 -0.841 5.260 321 HD1 PHE 35 HD2 PHE 35 1.961 -0.102 8.833 322 HD2 PHE 35 HD1 PHE 35 -1.247 -1.200 6.183 323 HE1 PHE 35 HE2 PHE 35 0.542 -0.639 10.771 324 HE2 PHE 35 HE1 PHE 35 -2.667 -1.742 8.146 325 HZ PHE 35 HZ PHE 35 -1.782 -1.458 10.439 326 H ASP 36 H ASP 36 3.935 1.377 5.028 327 HA ASP 36 HA ASP 36 4.172 0.243 2.351 328 HB2 ASP 36 1HB ASP 36 5.268 2.678 3.753 329 HB3 ASP 36 2HB ASP 36 6.040 2.139 2.262 330 H PHE 37 H PHE 37 6.227 0.358 5.238 331 HA PHE 37 HA PHE 37 8.662 -0.447 3.983 332 HB2 PHE 37 1HB PHE 37 8.375 0.535 6.284 333 HB3 PHE 37 2HB PHE 37 7.756 -1.027 6.824 334 HD1 PHE 37 HD1 PHE 37 10.744 0.510 5.141 335 HD2 PHE 37 HD2 PHE 37 9.238 -2.615 7.686 336 HE1 PHE 37 HE1 PHE 37 13.075 -0.250 5.581 337 HE2 PHE 37 HE2 PHE 37 11.565 -3.381 8.132 338 HZ PHE 37 HZ PHE 37 13.487 -2.185 7.085 339 H VAL 38 H VAL 38 5.858 -2.265 5.159 340 HA VAL 38 HA VAL 38 6.958 -4.911 4.948 341 HB VAL 38 HB VAL 38 4.125 -3.945 4.288 342 HG11 VAL 38 1HG1 VAL 38 3.491 -6.365 4.826 343 HG12 VAL 38 2HG1 VAL 38 4.345 -6.110 3.295 344 HG13 VAL 38 3HG1 VAL 38 5.222 -6.749 4.696 345 HG21 VAL 38 3HG2 VAL 38 4.728 -3.399 6.507 346 HG22 VAL 38 1HG2 VAL 38 3.549 -4.708 6.473 347 HG23 VAL 38 2HG2 VAL 38 5.255 -5.070 6.805 348 H LYS 39 H LYS 39 5.251 -2.756 2.680 349 HA LYS 39 HA LYS 39 5.010 -4.710 0.711 350 HB2 LYS 39 1HB LYS 39 3.635 -2.743 0.632 351 HB3 LYS 39 2HB LYS 39 5.024 -1.671 0.556 352 HG2 LYS 39 1HG LYS 39 4.715 -3.625 -1.690 353 HG3 LYS 39 2HG LYS 39 3.537 -2.307 -1.599 354 HD2 LYS 39 1HD LYS 39 5.041 -0.746 -2.274 355 HD3 LYS 39 2HD LYS 39 6.298 -1.361 -1.188 356 HE2 LYS 39 1HE LYS 39 6.723 -3.233 -2.803 357 HE3 LYS 39 2HE LYS 39 5.569 -2.479 -3.922 358 HZ1 LYS 39 3HZ LYS 39 8.078 -1.235 -2.909 359 HZ2 LYS 39 1HZ LYS 39 7.003 -0.508 -3.930 360 HZ3 LYS 39 2HZ LYS 39 7.842 -1.837 -4.426 361 H ASP 40 H ASP 40 7.573 -2.306 1.282 362 HA ASP 40 HA ASP 40 8.912 -2.879 -1.207 363 HB2 ASP 40 1HB ASP 40 9.087 -0.936 0.783 364 HB3 ASP 40 2HB ASP 40 10.630 -1.796 0.896 365 H THR 41 H THR 41 9.589 -3.888 2.180 366 HA THR 41 HA THR 41 11.905 -5.429 1.408 367 HB THR 41 HB THR 41 10.270 -6.001 3.901 368 HG1 THR 41 HG1 THR 41 10.379 -3.797 3.954 369 HG21 THR 41 1HG2 THR 41 12.545 -6.224 4.887 370 HG22 THR 41 2HG2 THR 41 13.260 -5.845 3.309 371 HG23 THR 41 3HG2 THR 41 12.314 -7.338 3.523 372 H CYS 42 H CYS 42 8.460 -6.089 1.629 373 HA CYS 42 HA CYS 42 8.971 -8.889 0.699 374 HB2 CYS 42 1HB CYS 42 6.742 -7.844 2.481 375 HB3 CYS 42 2HB CYS 42 6.844 -9.483 1.829 376 HG CYS 42 HG CYS 42 9.079 -7.960 3.684 377 HA PRO 43 HA PRO 43 6.470 -6.500 -2.363 378 HB2 PRO 43 1HB PRO 43 7.619 -7.462 -4.644 379 HB3 PRO 43 2HB PRO 43 8.365 -6.144 -3.683 380 HG2 PRO 43 1HG PRO 43 8.976 -9.096 -3.633 381 HG3 PRO 43 2HG PRO 43 10.108 -7.714 -3.786 382 HD2 PRO 43 1HD PRO 43 9.630 -8.946 -1.407 383 HD3 PRO 43 2HD PRO 43 9.929 -7.168 -1.516 384 H TRP 44 H TRP 44 7.244 -9.825 -1.840 385 HA TRP 44 HA TRP 44 5.134 -10.914 -3.504 386 HB2 TRP 44 1HB TRP 44 5.706 -12.960 -1.979 387 HB3 TRP 44 2HB TRP 44 6.839 -12.417 -3.227 388 HD1 TRP 44 HD1 TRP 44 6.282 -11.749 0.534 389 HE1 TRP 44 HE1 TRP 44 8.529 -11.464 1.719 390 HE3 TRP 44 HE3 TRP 44 9.250 -12.137 -3.583 391 HZ2 TRP 44 HZ2 TRP 44 11.274 -11.367 0.947 392 HZ3 TRP 44 HZ3 TRP 44 11.731 -11.928 -3.304 393 HH2 TRP 44 HH2 TRP 44 12.720 -11.535 -1.046 394 H PHE 45 H PHE 45 5.191 -9.410 -0.330 395 HA PHE 45 HA PHE 45 3.062 -11.037 0.746 396 HB2 PHE 45 1HB PHE 45 4.529 -9.690 2.182 397 HB3 PHE 45 2HB PHE 45 3.831 -8.209 1.519 398 HD1 PHE 45 HD2 PHE 45 3.143 -11.223 3.586 399 HD2 PHE 45 HD1 PHE 45 1.652 -7.426 2.222 400 HE1 PHE 45 HE2 PHE 45 1.323 -11.332 5.283 401 HE2 PHE 45 HE1 PHE 45 -0.181 -7.533 3.905 402 HZ PHE 45 HZ PHE 45 -0.343 -9.485 5.447 403 HA PRO 46 HA PRO 46 -0.016 -7.905 -0.756 404 HB2 PRO 46 1HB PRO 46 0.498 -6.209 -2.835 405 HB3 PRO 46 2HB PRO 46 0.776 -5.744 -1.125 406 HG2 PRO 46 1HG PRO 46 2.742 -6.809 -3.127 407 HG3 PRO 46 2HG PRO 46 2.858 -5.346 -2.097 408 HD2 PRO 46 1HD PRO 46 4.029 -7.649 -1.371 409 HD3 PRO 46 2HD PRO 46 3.229 -6.605 -0.152 410 H GLN 47 H GLN 47 2.405 -9.293 -2.896 411 HA GLN 47 HA GLN 47 0.695 -9.895 -5.116 412 HB2 GLN 47 1HB GLN 47 3.225 -9.875 -5.031 413 HB3 GLN 47 2HB GLN 47 3.138 -11.402 -4.150 414 HG2 GLN 47 1HG GLN 47 2.046 -12.466 -6.041 415 HG3 GLN 47 2HG GLN 47 2.063 -10.926 -6.912 416 HE21 GLN 47 2HE2 GLN 47 3.277 -11.770 -8.598 417 HE22 GLN 47 1HE2 GLN 47 4.988 -12.104 -8.402 418 H GLU 48 H GLU 48 1.492 -11.614 -2.083 419 HA GLU 48 HA GLU 48 0.138 -14.073 -2.715 420 HB2 GLU 48 1HB GLU 48 0.897 -12.673 -0.127 421 HB3 GLU 48 2HB GLU 48 0.004 -14.194 -0.124 422 HG2 GLU 48 1HG GLU 48 1.822 -15.347 -1.231 423 HG3 GLU 48 2HG GLU 48 2.705 -13.847 -1.473 424 H GLY 49 H GLY 49 -0.896 -10.899 -1.628 425 HA2 GLY 49 1HA GLY 49 -2.977 -9.970 -1.450 426 HA3 GLY 49 2HA GLY 49 -3.535 -11.276 -2.496 427 H THR 50 H THR 50 -2.186 -12.300 0.497 428 HA THR 50 HA THR 50 -4.919 -12.630 1.653 429 HB THR 50 HB THR 50 -2.774 -14.782 1.527 430 HG1 THR 50 HG1 THR 50 -3.753 -14.304 -0.530 431 HG21 THR 50 1HG2 THR 50 -4.705 -16.256 2.195 432 HG22 THR 50 2HG2 THR 50 -5.683 -14.792 2.431 433 HG23 THR 50 3HG2 THR 50 -4.248 -15.077 3.447 434 H ILE 51 H ILE 51 -4.991 -12.313 3.837 435 HA ILE 51 HA ILE 51 -2.356 -11.677 5.125 436 HB ILE 51 HB ILE 51 -5.004 -10.185 5.313 437 HG12 ILE 51 1HG1 ILE 51 -2.300 -9.344 4.190 438 HG13 ILE 51 2HG1 ILE 51 -3.658 -9.881 3.207 439 HG21 ILE 51 1HG2 ILE 51 -3.732 -10.199 7.499 440 HG22 ILE 51 2HG2 ILE 51 -2.336 -9.487 6.654 441 HG23 ILE 51 3HG2 ILE 51 -3.871 -8.589 6.779 442 HD11 ILE 51 3HD1 ILE 51 -3.487 -7.408 4.877 443 HD12 ILE 51 1HD1 ILE 51 -3.619 -7.559 3.118 444 HD13 ILE 51 2HD1 ILE 51 -4.993 -8.017 4.143 445 H ASP 52 H ASP 52 -2.001 -13.310 6.385 446 HA ASP 52 HA ASP 52 -3.903 -13.814 8.603 447 HB2 ASP 52 1HB ASP 52 -4.308 -15.688 7.044 448 HB3 ASP 52 2HB ASP 52 -2.561 -15.970 6.927 449 H ILE 53 H ILE 53 -2.682 -14.881 10.393 450 HA ILE 53 HA ILE 53 -0.261 -13.466 10.852 451 HB ILE 53 HB ILE 53 -1.921 -14.274 12.524 452 HG12 ILE 53 1HG1 ILE 53 -0.230 -14.911 14.284 453 HG13 ILE 53 2HG1 ILE 53 0.982 -15.024 13.009 454 HG21 ILE 53 1HG2 ILE 53 -0.612 -16.988 12.180 455 HG22 ILE 53 2HG2 ILE 53 -1.814 -16.546 13.413 456 HG23 ILE 53 3HG2 ILE 53 -2.268 -16.553 11.699 457 HD11 ILE 53 3HD1 ILE 53 1.064 -12.882 14.281 458 HD12 ILE 53 1HD1 ILE 53 0.806 -12.641 12.544 459 HD13 ILE 53 2HD1 ILE 53 -0.561 -12.485 13.676 460 H LYS 54 H LYS 54 -0.855 -16.652 9.438 461 HA LYS 54 HA LYS 54 1.849 -17.657 9.659 462 HB2 LYS 54 1HB LYS 54 -0.362 -18.063 7.622 463 HB3 LYS 54 2HB LYS 54 1.208 -18.842 7.447 464 HG2 LYS 54 1HG LYS 54 -0.411 -19.198 9.976 465 HG3 LYS 54 2HG LYS 54 -0.723 -20.168 8.523 466 HD2 LYS 54 1HD LYS 54 1.705 -20.812 8.494 467 HD3 LYS 54 2HD LYS 54 1.890 -20.011 10.068 468 HE2 LYS 54 1HE LYS 54 0.205 -21.517 11.048 469 HE3 LYS 54 2HE LYS 54 -0.068 -22.267 9.461 470 HZ1 LYS 54 3HZ LYS 54 2.226 -23.034 9.486 471 HZ2 LYS 54 1HZ LYS 54 1.428 -23.594 10.818 472 HZ3 LYS 54 2HZ LYS 54 2.492 -22.340 10.958 473 H ARG 55 H ARG 55 0.260 -15.553 7.248 474 HA ARG 55 HA ARG 55 2.714 -15.448 5.633 475 HB2 ARG 55 1HB ARG 55 0.087 -13.944 5.404 476 HB3 ARG 55 2HB ARG 55 1.399 -13.911 4.214 477 HG2 ARG 55 1HG ARG 55 1.136 -16.332 3.825 478 HG3 ARG 55 2HG ARG 55 -0.149 -16.402 5.050 479 HD2 ARG 55 1HD ARG 55 -1.427 -14.737 3.727 480 HD3 ARG 55 2HD ARG 55 -0.203 -14.845 2.456 481 HE ARG 55 HE ARG 55 -2.251 -16.837 3.171 482 HH11 ARG 55 1HH1 ARG 55 0.630 -16.191 1.207 483 HH12 ARG 55 2HH1 ARG 55 0.211 -17.450 0.065 484 HH21 ARG 55 1HH2 ARG 55 -2.671 -18.421 1.688 485 HH22 ARG 55 2HH2 ARG 55 -1.598 -18.688 0.343 486 H TRP 56 H TRP 56 1.058 -13.498 8.062 487 HA TRP 56 HA TRP 56 2.647 -11.141 7.710 488 HB2 TRP 56 1HB TRP 56 0.514 -11.361 9.040 489 HB3 TRP 56 2HB TRP 56 1.445 -12.197 10.292 490 HD1 TRP 56 HD1 TRP 56 2.150 -10.599 12.163 491 HE1 TRP 56 HE1 TRP 56 2.768 -8.140 12.432 492 HE3 TRP 56 HE3 TRP 56 1.611 -9.208 7.275 493 HZ2 TRP 56 HZ2 TRP 56 3.043 -5.882 10.739 494 HZ3 TRP 56 HZ3 TRP 56 2.087 -6.842 6.651 495 HH2 TRP 56 HH2 TRP 56 2.783 -5.190 8.389 496 H ARG 57 H ARG 57 3.181 -14.206 9.434 497 HA ARG 57 HA ARG 57 5.552 -13.386 10.824 498 HB2 ARG 57 1HB ARG 57 4.354 -15.995 10.013 499 HB3 ARG 57 2HB ARG 57 6.045 -15.963 10.543 500 HG2 ARG 57 1HG ARG 57 5.517 -15.273 12.691 501 HG3 ARG 57 2HG ARG 57 3.970 -14.558 12.202 502 HD2 ARG 57 1HD ARG 57 2.970 -16.721 11.921 503 HD3 ARG 57 2HD ARG 57 4.526 -17.534 12.206 504 HE ARG 57 HE ARG 57 4.366 -16.281 14.504 505 HH11 ARG 57 1HH1 ARG 57 1.625 -17.737 12.825 506 HH12 ARG 57 2HH1 ARG 57 0.743 -18.007 14.306 507 HH21 ARG 57 1HH2 ARG 57 3.178 -16.662 16.347 508 HH22 ARG 57 2HH2 ARG 57 1.599 -17.392 16.256 509 H ARG 58 H ARG 58 5.093 -14.692 7.529 510 HA ARG 58 HA ARG 58 7.837 -14.906 6.852 511 HB2 ARG 58 1HB ARG 58 5.410 -14.180 5.180 512 HB3 ARG 58 2HB ARG 58 7.016 -14.344 4.485 513 HG2 ARG 58 1HG ARG 58 7.131 -16.640 4.964 514 HG3 ARG 58 2HG ARG 58 5.779 -16.574 6.100 515 HD2 ARG 58 1HD ARG 58 5.225 -17.631 3.870 516 HD3 ARG 58 2HD ARG 58 4.170 -16.304 4.354 517 HE ARG 58 HE ARG 58 4.747 -15.154 2.463 518 HH11 ARG 58 1HH1 ARG 58 7.325 -17.538 2.985 519 HH12 ARG 58 2HH1 ARG 58 8.074 -17.169 1.456 520 HH21 ARG 58 1HH2 ARG 58 5.724 -14.770 0.576 521 HH22 ARG 58 2HH2 ARG 58 7.197 -15.610 0.117 522 H VAL 59 H VAL 59 5.797 -12.012 7.095 523 HA VAL 59 HA VAL 59 7.663 -10.263 5.767 524 HB VAL 59 HB VAL 59 5.553 -9.607 7.874 525 HG11 VAL 59 1HG1 VAL 59 7.167 -7.803 7.640 526 HG12 VAL 59 2HG1 VAL 59 6.962 -7.815 5.877 527 HG13 VAL 59 3HG1 VAL 59 5.611 -7.341 6.938 528 HG21 VAL 59 3HG2 VAL 59 4.158 -8.978 5.930 529 HG22 VAL 59 1HG2 VAL 59 5.414 -9.638 4.853 530 HG23 VAL 59 2HG2 VAL 59 4.544 -10.705 5.980 531 H GLY 60 H GLY 60 7.104 -11.196 9.166 532 HA2 GLY 60 1HA GLY 60 9.078 -9.339 10.149 533 HA3 GLY 60 2HA GLY 60 8.316 -10.665 11.052 534 H ASP 61 H ASP 61 9.077 -12.739 9.189 535 HA ASP 61 HA ASP 61 11.693 -13.419 10.115 536 HB2 ASP 61 1HB ASP 61 10.184 -14.385 7.639 537 HB3 ASP 61 2HB ASP 61 11.591 -15.184 8.355 538 H CYS 62 H CYS 62 10.419 -11.907 7.157 539 HA CYS 62 HA CYS 62 12.867 -11.721 5.714 540 HB2 CYS 62 1HB CYS 62 10.312 -11.222 5.122 541 HB3 CYS 62 2HB CYS 62 10.777 -9.574 5.527 542 HG CYS 62 HG CYS 62 10.809 -9.681 3.005 543 H PHE 63 H PHE 63 11.260 -9.417 7.979 544 HA PHE 63 HA PHE 63 13.207 -7.339 7.643 545 HB2 PHE 63 1HB PHE 63 11.579 -8.052 10.110 546 HB3 PHE 63 2HB PHE 63 12.499 -6.569 9.908 547 HD1 PHE 63 HD1 PHE 63 11.649 -6.249 6.831 548 HD2 PHE 63 HD2 PHE 63 9.507 -6.846 10.520 549 HE1 PHE 63 HE1 PHE 63 9.675 -5.081 5.874 550 HE2 PHE 63 HE2 PHE 63 7.537 -5.665 9.565 551 HZ PHE 63 HZ PHE 63 7.620 -4.781 7.237 552 H GLN 64 H GLN 64 13.094 -10.245 9.711 553 HA GLN 64 HA GLN 64 15.322 -9.444 11.340 554 HB2 GLN 64 1HB GLN 64 13.611 -11.206 11.903 555 HB3 GLN 64 2HB GLN 64 14.393 -12.270 10.726 556 HG2 GLN 64 1HG GLN 64 16.482 -12.185 12.005 557 HG3 GLN 64 2HG GLN 64 15.751 -11.047 13.148 558 HE21 GLN 64 2HE2 GLN 64 14.621 -11.811 14.837 559 HE22 GLN 64 1HE2 GLN 64 14.252 -13.501 15.086 560 H ASP 65 H ASP 65 15.056 -11.375 8.331 561 HA ASP 65 HA ASP 65 17.829 -12.120 8.291 562 HB2 ASP 65 1HB ASP 65 15.893 -13.092 6.967 563 HB3 ASP 65 2HB ASP 65 16.025 -11.702 5.890 564 H TYR 66 H TYR 66 15.987 -9.446 6.826 565 HA TYR 66 HA TYR 66 18.193 -8.225 5.477 566 HB2 TYR 66 1HB TYR 66 15.443 -7.743 5.895 567 HB3 TYR 66 2HB TYR 66 16.266 -6.325 6.513 568 HD1 TYR 66 HD2 TYR 66 15.855 -8.488 3.503 569 HD2 TYR 66 HD1 TYR 66 17.186 -4.682 5.013 570 HE1 TYR 66 HE2 TYR 66 16.085 -7.637 1.172 571 HE2 TYR 66 HE1 TYR 66 17.413 -3.840 2.670 572 HH TYR 66 HH TYR 66 16.627 -5.875 -0.158 573 H PHE 67 H PHE 67 16.930 -8.002 8.805 574 HA PHE 67 HA PHE 67 18.646 -5.809 9.607 575 HB2 PHE 67 1HB PHE 67 16.595 -6.517 10.810 576 HB3 PHE 67 2HB PHE 67 17.393 -8.020 11.275 577 HD1 PHE 67 HD1 PHE 67 19.251 -8.010 12.924 578 HD2 PHE 67 HD2 PHE 67 17.069 -4.437 11.928 579 HE1 PHE 67 HE1 PHE 67 20.145 -6.897 14.964 580 HE2 PHE 67 HE2 PHE 67 17.934 -3.327 13.965 581 HZ PHE 67 HZ PHE 67 19.485 -4.550 15.495 582 H ASN 68 H ASN 68 19.016 -9.377 9.646 583 HA ASN 68 HA ASN 68 21.490 -9.306 11.140 584 HB2 ASN 68 1HB ASN 68 20.335 -11.392 9.236 585 HB3 ASN 68 2HB ASN 68 21.780 -11.636 10.225 586 HD21 ASN 68 2HD2 ASN 68 19.253 -13.083 10.216 587 HD22 ASN 68 1HD2 ASN 68 18.651 -12.977 11.852 588 H THR 69 H THR 69 20.662 -9.283 7.684 589 HA THR 69 HA THR 69 23.396 -9.638 6.820 590 HB THR 69 HB THR 69 20.995 -8.585 5.243 591 HG1 THR 69 HG1 THR 69 20.444 -10.583 6.040 592 HG21 THR 69 1HG2 THR 69 23.571 -9.965 4.382 593 HG22 THR 69 2HG2 THR 69 23.109 -8.280 4.034 594 HG23 THR 69 3HG2 THR 69 22.188 -9.621 3.321 595 H PHE 70 H PHE 70 21.252 -6.766 7.106 596 HA PHE 70 HA PHE 70 23.566 -5.130 6.161 597 HB2 PHE 70 1HB PHE 70 20.613 -4.477 6.142 598 HB3 PHE 70 2HB PHE 70 21.918 -3.519 5.439 599 HD1 PHE 70 HD1 PHE 70 23.392 -4.691 3.616 600 HD2 PHE 70 HD2 PHE 70 19.499 -6.063 4.817 601 HE1 PHE 70 HE1 PHE 70 23.180 -5.952 1.477 602 HE2 PHE 70 HE2 PHE 70 19.274 -7.326 2.690 603 HZ PHE 70 HZ PHE 70 21.116 -7.274 1.011 604 H GLY 71 H GLY 71 21.989 -5.846 9.043 605 HA2 GLY 71 1HA GLY 71 22.514 -4.936 11.098 606 HA3 GLY 71 2HA GLY 71 23.327 -3.585 10.304 607 HA PRO 72 HA PRO 72 19.219 -2.287 12.212 608 HB2 PRO 72 1HB PRO 72 20.178 -0.553 14.087 609 HB3 PRO 72 2HB PRO 72 20.098 -2.318 14.381 610 HG2 PRO 72 1HG PRO 72 22.429 -0.680 13.425 611 HG3 PRO 72 2HG PRO 72 22.348 -1.828 14.800 612 HD2 PRO 72 1HD PRO 72 23.309 -2.599 12.410 613 HD3 PRO 72 2HD PRO 72 22.269 -3.702 13.379 614 H GLU 73 H GLU 73 21.802 -0.902 10.547 615 HA GLU 73 HA GLU 73 20.928 1.843 10.442 616 HB2 GLU 73 1HB GLU 73 22.627 0.169 8.592 617 HB3 GLU 73 2HB GLU 73 22.462 1.924 8.479 618 HG2 GLU 73 1HG GLU 73 23.546 2.176 10.653 619 HG3 GLU 73 2HG GLU 73 23.643 0.411 10.827 620 H LYS 74 H LYS 74 20.054 -1.102 8.840 621 HA LYS 74 HA LYS 74 18.729 0.438 6.643 622 HB2 LYS 74 1HB LYS 74 19.913 -2.288 6.932 623 HB3 LYS 74 2HB LYS 74 18.644 -2.030 5.717 624 HG2 LYS 74 1HG LYS 74 20.737 -1.780 4.575 625 HG3 LYS 74 2HG LYS 74 20.090 -0.142 4.763 626 HD2 LYS 74 1HD LYS 74 21.699 0.461 6.320 627 HD3 LYS 74 2HD LYS 74 21.867 -1.188 6.923 628 HE2 LYS 74 1HE LYS 74 22.975 -1.710 4.649 629 HE3 LYS 74 2HE LYS 74 23.157 0.057 4.508 630 HZ1 LYS 74 3HZ LYS 74 24.307 0.029 6.673 631 HZ2 LYS 74 1HZ LYS 74 25.079 -0.973 5.613 632 HZ3 LYS 74 2HZ LYS 74 24.111 -1.607 6.789 633 H VAL 75 H VAL 75 18.150 -1.988 9.197 634 HA VAL 75 HA VAL 75 15.237 -1.416 8.745 635 HB VAL 75 HB VAL 75 16.507 -3.936 9.948 636 HG11 VAL 75 1HG1 VAL 75 14.183 -4.830 9.993 637 HG12 VAL 75 2HG1 VAL 75 14.377 -3.422 11.049 638 HG13 VAL 75 3HG1 VAL 75 13.574 -3.241 9.471 639 HG21 VAL 75 3HG2 VAL 75 15.418 -5.085 7.998 640 HG22 VAL 75 1HG2 VAL 75 15.124 -3.482 7.289 641 HG23 VAL 75 2HG2 VAL 75 16.787 -4.038 7.580 642 HA PRO 76 HA PRO 76 16.235 0.138 12.792 643 HB2 PRO 76 1HB PRO 76 13.879 1.246 13.553 644 HB3 PRO 76 2HB PRO 76 14.885 1.975 12.273 645 HG2 PRO 76 1HG PRO 76 12.473 0.229 12.005 646 HG3 PRO 76 2HG PRO 76 12.862 1.749 11.154 647 HD2 PRO 76 1HD PRO 76 13.286 -0.749 10.077 648 HD3 PRO 76 2HD PRO 76 14.287 0.685 9.665 649 H VAL 77 H VAL 77 15.876 -0.518 15.008 650 HA VAL 77 HA VAL 77 14.742 -3.127 15.326 651 HB VAL 77 HB VAL 77 15.052 -2.746 17.769 652 HG11 VAL 77 1HG1 VAL 77 17.496 -2.544 17.714 653 HG12 VAL 77 2HG1 VAL 77 16.928 -3.527 16.350 654 HG13 VAL 77 3HG1 VAL 77 17.428 -1.840 16.081 655 HG21 VAL 77 3HG2 VAL 77 16.075 -0.655 18.583 656 HG22 VAL 77 1HG2 VAL 77 15.974 0.056 16.961 657 HG23 VAL 77 2HG2 VAL 77 14.488 -0.327 17.867 658 H THR 78 H THR 78 13.316 0.047 15.352 659 HA THR 78 HA THR 78 11.002 -0.743 16.908 660 HB THR 78 HB THR 78 11.853 1.668 16.488 661 HG1 THR 78 HG1 THR 78 9.628 2.390 16.639 662 HG21 THR 78 1HG2 THR 78 9.943 1.513 14.165 663 HG22 THR 78 2HG2 THR 78 11.709 1.487 13.966 664 HG23 THR 78 3HG2 THR 78 10.920 2.897 14.690 665 H ALA 79 H ALA 79 11.989 -1.294 13.606 666 HA ALA 79 HA ALA 79 9.373 -1.373 12.443 667 HB1 ALA 79 3HB ALA 79 10.427 -2.888 10.771 668 HB2 ALA 79 1HB ALA 79 11.359 -1.406 11.062 669 HB3 ALA 79 2HB ALA 79 11.889 -2.942 11.786 670 H PHE 80 H PHE 80 11.238 -3.716 14.365 671 HA PHE 80 HA PHE 80 9.361 -5.874 13.982 672 HB2 PHE 80 1HB PHE 80 11.359 -5.378 16.215 673 HB3 PHE 80 2HB PHE 80 10.550 -6.912 15.866 674 HD1 PHE 80 HD1 PHE 80 11.076 -8.152 13.752 675 HD2 PHE 80 HD2 PHE 80 13.271 -4.653 14.951 676 HE1 PHE 80 HE1 PHE 80 12.885 -8.748 12.161 677 HE2 PHE 80 HE2 PHE 80 15.077 -5.219 13.343 678 HZ PHE 80 HZ PHE 80 14.884 -7.276 11.938 679 H SER 81 H SER 81 9.576 -3.149 16.199 680 HA SER 81 HA SER 81 7.608 -4.157 18.090 681 HB2 SER 81 1HB SER 81 9.290 -2.401 18.660 682 HB3 SER 81 2HB SER 81 8.492 -1.293 17.526 683 HG SER 81 HG SER 81 7.751 -0.968 19.645 684 H TYR 82 H TYR 82 7.607 -1.901 15.317 685 HA TYR 82 HA TYR 82 4.805 -1.320 15.333 686 HB2 TYR 82 1HB TYR 82 7.071 -1.185 13.381 687 HB3 TYR 82 2HB TYR 82 5.434 -1.171 12.719 688 HD1 TYR 82 HD1 TYR 82 7.732 0.662 15.063 689 HD2 TYR 82 HD2 TYR 82 4.055 0.730 12.815 690 HE1 TYR 82 HE1 TYR 82 7.510 3.095 15.510 691 HE2 TYR 82 HE2 TYR 82 3.866 3.208 13.250 692 HH TYR 82 HH TYR 82 5.284 5.156 13.903 693 H TRP 83 H TRP 83 6.762 -3.869 13.764 694 HA TRP 83 HA TRP 83 4.667 -5.004 12.264 695 HB2 TRP 83 1HB TRP 83 7.046 -5.571 11.952 696 HB3 TRP 83 2HB TRP 83 7.117 -6.269 13.565 697 HD1 TRP 83 HD1 TRP 83 5.865 -7.082 10.047 698 HE1 TRP 83 HE1 TRP 83 5.286 -9.555 9.865 699 HE3 TRP 83 HE3 TRP 83 6.395 -8.304 14.992 700 HZ2 TRP 83 HZ2 TRP 83 5.040 -11.754 11.639 701 HZ3 TRP 83 HZ3 TRP 83 6.007 -10.664 15.687 702 HH2 TRP 83 HH2 TRP 83 5.319 -12.376 14.009 703 H ASN 84 H ASN 84 5.696 -5.527 15.637 704 HA ASN 84 HA ASN 84 3.973 -7.746 16.167 705 HB2 ASN 84 1HB ASN 84 5.596 -5.852 17.758 706 HB3 ASN 84 2HB ASN 84 4.217 -6.573 18.599 707 HD21 ASN 84 2HD2 ASN 84 7.384 -7.065 17.395 708 HD22 ASN 84 1HD2 ASN 84 7.523 -8.746 17.867 709 H LEU 85 H LEU 85 3.417 -4.266 16.097 710 HA LEU 85 HA LEU 85 1.001 -4.234 17.630 711 HB2 LEU 85 1HB LEU 85 2.451 -2.295 16.945 712 HB3 LEU 85 2HB LEU 85 1.806 -2.429 15.323 713 HG LEU 85 HG LEU 85 0.048 -1.838 17.705 714 HD11 LEU 85 1HD1 LEU 85 1.555 0.074 15.872 715 HD12 LEU 85 2HD1 LEU 85 1.856 -0.191 17.608 716 HD13 LEU 85 3HD1 LEU 85 0.333 0.543 17.074 717 HD21 LEU 85 3HD2 LEU 85 -0.280 -1.389 14.701 718 HD22 LEU 85 1HD2 LEU 85 -1.354 -0.693 15.936 719 HD23 LEU 85 2HD2 LEU 85 -1.257 -2.449 15.740 720 H ILE 86 H ILE 86 1.615 -4.653 14.092 721 HA ILE 86 HA ILE 86 -1.242 -4.941 13.600 722 HB ILE 86 HB ILE 86 1.070 -5.733 11.810 723 HG12 ILE 86 1HG1 ILE 86 -0.206 -3.419 10.847 724 HG13 ILE 86 2HG1 ILE 86 -0.006 -3.132 12.575 725 HG21 ILE 86 1HG2 ILE 86 -1.907 -5.291 11.287 726 HG22 ILE 86 2HG2 ILE 86 -0.676 -5.472 10.001 727 HG23 ILE 86 3HG2 ILE 86 -1.004 -6.810 11.117 728 HD11 ILE 86 3HD1 ILE 86 1.955 -2.282 11.612 729 HD12 ILE 86 1HD1 ILE 86 2.436 -3.882 12.215 730 HD13 ILE 86 2HD1 ILE 86 2.106 -3.649 10.484 731 H LYS 87 H LYS 87 1.506 -7.044 14.349 732 HA LYS 87 HA LYS 87 0.314 -9.498 13.556 733 HB2 LYS 87 1HB LYS 87 2.393 -10.087 14.172 734 HB3 LYS 87 2HB LYS 87 2.565 -8.693 15.221 735 HG2 LYS 87 1HG LYS 87 1.468 -9.846 17.054 736 HG3 LYS 87 2HG LYS 87 1.088 -11.221 16.001 737 HD2 LYS 87 1HD LYS 87 3.409 -11.792 15.824 738 HD3 LYS 87 2HD LYS 87 3.882 -10.311 16.668 739 HE2 LYS 87 1HE LYS 87 3.898 -12.315 18.168 740 HE3 LYS 87 2HE LYS 87 2.823 -11.020 18.716 741 HZ1 LYS 87 3HZ LYS 87 0.936 -12.257 17.829 742 HZ2 LYS 87 1HZ LYS 87 1.757 -13.194 18.902 743 HZ3 LYS 87 2HZ LYS 87 1.906 -13.463 17.284 744 H GLU 88 H GLU 88 -0.042 -7.659 16.662 745 HA GLU 88 HA GLU 88 -1.587 -9.826 17.799 746 HB2 GLU 88 1HB GLU 88 -2.168 -8.269 19.583 747 HB3 GLU 88 2HB GLU 88 -0.435 -8.256 19.246 748 HG2 GLU 88 1HG GLU 88 -0.689 -6.185 17.981 749 HG3 GLU 88 2HG GLU 88 -2.425 -6.168 18.326 750 H LEU 89 H LEU 89 -2.360 -7.058 15.774 751 HA LEU 89 HA LEU 89 -5.191 -7.155 16.175 752 HB2 LEU 89 1HB LEU 89 -3.600 -6.264 13.767 753 HB3 LEU 89 2HB LEU 89 -5.328 -6.036 13.971 754 HG LEU 89 HG LEU 89 -3.075 -4.652 15.391 755 HD11 LEU 89 1HD1 LEU 89 -4.216 -2.652 14.571 756 HD12 LEU 89 2HD1 LEU 89 -5.521 -3.659 13.898 757 HD13 LEU 89 3HD1 LEU 89 -3.871 -3.773 13.237 758 HD21 LEU 89 3HD2 LEU 89 -5.948 -4.800 16.315 759 HD22 LEU 89 1HD2 LEU 89 -4.871 -3.453 16.737 760 HD23 LEU 89 2HD2 LEU 89 -4.472 -5.104 17.250 761 H ILE 90 H ILE 90 -3.009 -8.841 13.881 762 HA ILE 90 HA ILE 90 -5.278 -10.177 12.611 763 HB ILE 90 HB ILE 90 -2.320 -10.932 12.451 764 HG12 ILE 90 1HG1 ILE 90 -3.920 -9.295 10.444 765 HG13 ILE 90 2HG1 ILE 90 -2.911 -8.553 11.685 766 HG21 ILE 90 1HG2 ILE 90 -3.904 -12.731 11.724 767 HG22 ILE 90 2HG2 ILE 90 -4.711 -11.578 10.639 768 HG23 ILE 90 3HG2 ILE 90 -3.031 -12.068 10.333 769 HD11 ILE 90 3HD1 ILE 90 -1.671 -8.658 9.584 770 HD12 ILE 90 1HD1 ILE 90 -0.912 -9.736 10.777 771 HD13 ILE 90 2HD1 ILE 90 -1.921 -10.414 9.478 772 H ASP 91 H ASP 91 -2.780 -11.053 15.007 773 HA ASP 91 HA ASP 91 -3.283 -13.831 15.154 774 HB2 ASP 91 1HB ASP 91 -1.382 -12.426 16.163 775 HB3 ASP 91 2HB ASP 91 -2.477 -12.057 17.500 776 H LYS 92 H LYS 92 -4.864 -11.076 16.766 777 HA LYS 92 HA LYS 92 -6.898 -13.014 17.806 778 HB2 LYS 92 1HB LYS 92 -5.953 -10.366 18.939 779 HB3 LYS 92 2HB LYS 92 -7.362 -11.247 19.543 780 HG2 LYS 92 1HG LYS 92 -4.608 -12.513 19.420 781 HG3 LYS 92 2HG LYS 92 -5.164 -11.577 20.815 782 HD2 LYS 92 1HD LYS 92 -6.593 -13.198 21.525 783 HD3 LYS 92 2HD LYS 92 -7.076 -13.665 19.890 784 HE2 LYS 92 1HE LYS 92 -4.299 -14.336 20.867 785 HE3 LYS 92 2HE LYS 92 -5.683 -15.322 21.381 786 HZ1 LYS 92 3HZ LYS 92 -6.212 -15.718 19.059 787 HZ2 LYS 92 1HZ LYS 92 -4.667 -16.209 19.383 788 HZ3 LYS 92 2HZ LYS 92 -4.920 -14.808 18.560 789 H LYS 93 H LYS 93 -6.880 -11.897 15.114 790 HA LYS 93 HA LYS 93 -8.765 -9.742 14.964 791 HB2 LYS 93 1HB LYS 93 -9.017 -10.237 12.665 792 HB3 LYS 93 2HB LYS 93 -7.332 -10.484 13.083 793 HG2 LYS 93 1HG LYS 93 -7.779 -12.965 13.175 794 HG3 LYS 93 2HG LYS 93 -9.414 -12.632 12.571 795 HD2 LYS 93 1HD LYS 93 -8.419 -11.489 10.589 796 HD3 LYS 93 2HD LYS 93 -6.806 -11.877 11.202 797 HE2 LYS 93 1HE LYS 93 -7.300 -13.497 9.529 798 HE3 LYS 93 2HE LYS 93 -7.439 -14.325 11.094 799 HZ1 LYS 93 3HZ LYS 93 -9.836 -14.074 10.947 800 HZ2 LYS 93 1HZ LYS 93 -9.286 -14.834 9.591 801 HZ3 LYS 93 2HZ LYS 93 -9.719 -13.243 9.528 802 H GLU 94 H GLU 94 -9.027 -13.068 15.672 803 HA GLU 94 HA GLU 94 -11.686 -13.695 14.997 804 HB2 GLU 94 1HB GLU 94 -11.395 -15.428 16.808 805 HB3 GLU 94 2HB GLU 94 -10.115 -15.384 15.586 806 HG2 GLU 94 1HG GLU 94 -8.691 -14.048 17.164 807 HG3 GLU 94 2HG GLU 94 -9.939 -14.223 18.398 808 H VAL 95 H VAL 95 -10.491 -11.818 17.772 809 HA VAL 95 HA VAL 95 -13.323 -11.690 18.758 810 HB VAL 95 HB VAL 95 -12.349 -11.135 21.002 811 HG11 VAL 95 1HG1 VAL 95 -11.723 -13.429 21.588 812 HG12 VAL 95 2HG1 VAL 95 -13.076 -13.436 20.439 813 HG13 VAL 95 3HG1 VAL 95 -11.435 -13.818 19.880 814 HG21 VAL 95 3HG2 VAL 95 -9.687 -11.999 19.769 815 HG22 VAL 95 1HG2 VAL 95 -10.117 -10.328 20.212 816 HG23 VAL 95 2HG2 VAL 95 -9.983 -11.572 21.467 817 H ASN 96 H ASN 96 -11.405 -10.056 16.843 818 HA ASN 96 HA ASN 96 -12.234 -7.393 17.954 819 HB2 ASN 96 1HB ASN 96 -9.637 -8.251 16.667 820 HB3 ASN 96 2HB ASN 96 -10.189 -6.572 16.601 821 HD21 ASN 96 2HD2 ASN 96 -8.681 -8.972 18.498 822 HD22 ASN 96 1HD2 ASN 96 -8.494 -7.990 19.938 823 HA PRO 97 HA PRO 97 -14.010 -8.385 13.847 824 HB2 PRO 97 1HB PRO 97 -16.389 -7.025 14.069 825 HB3 PRO 97 2HB PRO 97 -16.128 -8.679 14.711 826 HG2 PRO 97 1HG PRO 97 -15.918 -6.047 16.171 827 HG3 PRO 97 2HG PRO 97 -16.854 -7.513 16.618 828 HD2 PRO 97 1HD PRO 97 -14.444 -7.070 17.696 829 HD3 PRO 97 2HD PRO 97 -14.899 -8.727 17.164 830 H GLN 98 H GLN 98 -13.597 -5.220 15.398 831 HA GLN 98 HA GLN 98 -14.081 -3.654 13.055 832 HB2 GLN 98 1HB GLN 98 -12.539 -1.968 14.248 833 HB3 GLN 98 2HB GLN 98 -14.061 -2.401 15.035 834 HG2 GLN 98 1HG GLN 98 -12.861 -3.912 16.564 835 HG3 GLN 98 2HG GLN 98 -11.337 -3.519 15.751 836 HE21 GLN 98 2HE2 GLN 98 -13.124 -2.865 18.416 837 HE22 GLN 98 1HE2 GLN 98 -12.510 -1.271 18.770 838 H VAL 99 H VAL 99 -11.180 -5.302 14.354 839 HA VAL 99 HA VAL 99 -9.628 -4.180 12.170 840 HB VAL 99 HB VAL 99 -7.686 -5.012 13.124 841 HG11 VAL 99 1HG1 VAL 99 -8.975 -3.361 14.579 842 HG12 VAL 99 2HG1 VAL 99 -9.445 -4.746 15.591 843 HG13 VAL 99 3HG1 VAL 99 -7.741 -4.319 15.405 844 HG21 VAL 99 3HG2 VAL 99 -8.079 -7.345 13.265 845 HG22 VAL 99 1HG2 VAL 99 -7.705 -6.823 14.918 846 HG23 VAL 99 2HG2 VAL 99 -9.384 -7.144 14.441 847 H MET 100 H MET 100 -11.343 -7.155 12.890 848 HA MET 100 HA MET 100 -10.121 -8.818 10.920 849 HB2 MET 100 1HB MET 100 -12.058 -9.102 12.801 850 HB3 MET 100 2HB MET 100 -13.053 -9.019 11.367 851 HG2 MET 100 1HG MET 100 -10.961 -11.052 12.114 852 HG3 MET 100 2HG MET 100 -12.670 -11.323 11.821 853 HE1 MET 100 3HE MET 100 -12.913 -11.322 7.909 854 HE2 MET 100 1HE MET 100 -13.760 -11.648 9.441 855 HE3 MET 100 2HE MET 100 -13.311 -9.981 9.003 856 H ALA 101 H ALA 101 -12.810 -6.455 10.804 857 HA ALA 101 HA ALA 101 -13.465 -6.862 8.052 858 HB1 ALA 101 3HB ALA 101 -14.480 -4.603 8.218 859 HB2 ALA 101 1HB ALA 101 -14.911 -5.612 9.620 860 HB3 ALA 101 2HB ALA 101 -13.664 -4.352 9.778 861 H ALA 102 H ALA 102 -10.901 -5.033 9.683 862 HA ALA 102 HA ALA 102 -10.145 -3.530 7.330 863 HB1 ALA 102 3HB ALA 102 -8.351 -2.701 8.683 864 HB2 ALA 102 1HB ALA 102 -9.718 -2.894 9.792 865 HB3 ALA 102 2HB ALA 102 -8.408 -4.098 9.771 866 H VAL 103 H VAL 103 -9.308 -6.682 8.758 867 HA VAL 103 HA VAL 103 -6.971 -7.174 7.135 868 HB VAL 103 HB VAL 103 -8.988 -9.169 8.303 869 HG11 VAL 103 1HG1 VAL 103 -6.197 -9.619 7.206 870 HG12 VAL 103 2HG1 VAL 103 -7.156 -10.831 8.075 871 HG13 VAL 103 3HG1 VAL 103 -7.714 -10.219 6.509 872 HG21 VAL 103 3HG2 VAL 103 -7.195 -9.490 10.052 873 HG22 VAL 103 1HG2 VAL 103 -6.357 -8.078 9.373 874 HG23 VAL 103 2HG2 VAL 103 -7.971 -7.908 10.082 875 H ALA 104 H ALA 104 -10.443 -7.943 6.761 876 HA ALA 104 HA ALA 104 -10.178 -9.192 4.216 877 HB1 ALA 104 3HB ALA 104 -12.616 -8.797 4.027 878 HB2 ALA 104 1HB ALA 104 -12.186 -9.400 5.649 879 HB3 ALA 104 2HB ALA 104 -12.546 -7.673 5.405 880 H GLN 105 H GLN 105 -10.848 -5.781 5.132 881 HA GLN 105 HA GLN 105 -11.157 -4.834 2.471 882 HB2 GLN 105 1HB GLN 105 -10.336 -3.565 5.080 883 HB3 GLN 105 2HB GLN 105 -10.406 -2.625 3.579 884 HG2 GLN 105 1HG GLN 105 -12.752 -3.096 3.310 885 HG3 GLN 105 2HG GLN 105 -12.741 -4.197 4.693 886 HE21 GLN 105 2HE2 GLN 105 -14.366 -1.836 4.294 887 HE22 GLN 105 1HE2 GLN 105 -13.968 -0.720 5.582 888 H THR 106 H THR 106 -8.169 -5.231 4.487 889 HA THR 106 HA THR 106 -6.564 -3.812 2.558 890 HB THR 106 HB THR 106 -5.606 -5.978 4.464 891 HG1 THR 106 HG1 THR 106 -6.760 -4.364 5.585 892 HG21 THR 106 1HG2 THR 106 -4.245 -3.526 3.279 893 HG22 THR 106 2HG2 THR 106 -3.951 -5.200 2.762 894 HG23 THR 106 3HG2 THR 106 -3.511 -4.682 4.401 895 H GLU 107 H GLU 107 -7.507 -7.269 2.973 896 HA GLU 107 HA GLU 107 -5.934 -8.231 0.772 897 HB2 GLU 107 1HB GLU 107 -8.561 -9.198 1.944 898 HB3 GLU 107 2HB GLU 107 -7.755 -9.974 0.589 899 HG2 GLU 107 1HG GLU 107 -5.728 -10.242 2.055 900 HG3 GLU 107 2HG GLU 107 -6.736 -9.720 3.413 901 H GLU 108 H GLU 108 -9.260 -6.840 0.901 902 HA GLU 108 HA GLU 108 -9.927 -7.316 -1.831 903 HB2 GLU 108 1HB GLU 108 -10.698 -5.090 0.084 904 HB3 GLU 108 2HB GLU 108 -11.361 -5.210 -1.539 905 HG2 GLU 108 1HG GLU 108 -12.470 -7.266 -1.033 906 HG3 GLU 108 2HG GLU 108 -11.626 -7.413 0.513 907 H ILE 109 H ILE 109 -8.242 -4.583 -0.270 908 HA ILE 109 HA ILE 109 -8.046 -3.015 -2.675 909 HB ILE 109 HB ILE 109 -6.437 -2.965 -0.079 910 HG12 ILE 109 1HG1 ILE 109 -8.494 -0.968 -1.040 911 HG13 ILE 109 2HG1 ILE 109 -9.008 -2.440 -0.239 912 HG21 ILE 109 1HG2 ILE 109 -6.462 -0.945 -2.395 913 HG22 ILE 109 2HG2 ILE 109 -5.736 -0.643 -0.800 914 HG23 ILE 109 3HG2 ILE 109 -5.070 -1.906 -1.849 915 HD11 ILE 109 3HD1 ILE 109 -7.250 -0.289 0.948 916 HD12 ILE 109 1HD1 ILE 109 -8.934 -0.670 1.357 917 HD13 ILE 109 2HD1 ILE 109 -7.654 -1.834 1.744 918 H LEU 110 H LEU 110 -5.826 -5.352 -1.097 919 HA LEU 110 HA LEU 110 -3.685 -4.942 -2.970 920 HB2 LEU 110 1HB LEU 110 -4.469 -7.025 -0.971 921 HB3 LEU 110 2HB LEU 110 -3.268 -7.466 -2.176 922 HG LEU 110 HG LEU 110 -1.675 -5.992 -1.360 923 HD11 LEU 110 1HD1 LEU 110 -2.072 -4.234 0.367 924 HD12 LEU 110 2HD1 LEU 110 -3.812 -4.504 0.209 925 HD13 LEU 110 3HD1 LEU 110 -2.876 -3.887 -1.169 926 HD21 LEU 110 3HD2 LEU 110 -1.540 -6.506 1.043 927 HD22 LEU 110 1HD2 LEU 110 -2.129 -7.906 0.123 928 HD23 LEU 110 2HD2 LEU 110 -3.273 -6.912 1.054 929 H LYS 111 H LYS 111 -6.486 -7.158 -2.948 930 HA LYS 111 HA LYS 111 -5.715 -8.596 -5.325 931 HB2 LYS 111 1HB LYS 111 -8.350 -8.128 -3.973 932 HB3 LYS 111 2HB LYS 111 -8.174 -9.132 -5.425 933 HG2 LYS 111 1HG LYS 111 -6.790 -10.707 -4.311 934 HG3 LYS 111 2HG LYS 111 -6.482 -9.596 -2.965 935 HD2 LYS 111 1HD LYS 111 -8.914 -9.653 -2.471 936 HD3 LYS 111 2HD LYS 111 -9.051 -10.990 -3.630 937 HE2 LYS 111 1HE LYS 111 -7.480 -12.329 -2.311 938 HE3 LYS 111 2HE LYS 111 -7.139 -10.941 -1.272 939 HZ1 LYS 111 3HZ LYS 111 -9.532 -11.044 -0.613 940 HZ2 LYS 111 1HZ LYS 111 -8.590 -12.277 -0.066 941 HZ3 LYS 111 2HZ LYS 111 -9.619 -12.521 -1.342 942 H SER 112 H SER 112 -7.455 -5.571 -4.726 943 HA SER 112 HA SER 112 -8.260 -5.194 -7.485 944 HB2 SER 112 1HB SER 112 -9.396 -4.124 -5.541 945 HB3 SER 112 2HB SER 112 -7.942 -3.147 -5.259 946 HG SER 112 HG SER 112 -8.308 -2.612 -7.651 947 H ASN 113 H ASN 113 -5.365 -4.387 -5.592 948 HA ASN 113 HA ASN 113 -4.292 -2.478 -7.478 949 HB2 ASN 113 1HB ASN 113 -2.901 -4.300 -5.459 950 HB3 ASN 113 2HB ASN 113 -2.087 -3.043 -6.394 951 HD21 ASN 113 2HD2 ASN 113 -4.120 -1.054 -6.275 952 HD22 ASN 113 1HD2 ASN 113 -4.186 -0.488 -4.625 953 H SER 114 H SER 114 -4.323 -5.979 -7.235 954 HA SER 114 HA SER 114 -3.777 -7.626 -8.632 955 HB2 SER 114 1HB SER 114 -5.215 -6.125 -10.117 956 HB3 SER 114 2HB SER 114 -3.706 -5.559 -10.854 957 HG SER 114 HG SER 114 -4.908 -7.449 -11.809 958 H GLN 115 H GLN 115 -2.277 -7.777 -10.844 959 HA GLN 115 HA GLN 115 0.497 -7.054 -9.947 960 HB2 GLN 115 1HB GLN 115 -0.469 -9.701 -11.103 961 HB3 GLN 115 2HB GLN 115 1.219 -9.290 -10.765 962 HG2 GLN 115 1HG GLN 115 0.690 -9.070 -8.364 963 HG3 GLN 115 2HG GLN 115 -0.999 -9.478 -8.693 964 HE21 GLN 115 2HE2 GLN 115 -1.306 -11.406 -7.789 965 HE22 GLN 115 1HE2 GLN 115 -0.315 -12.814 -8.077 966 H THR 116 H THR 116 -1.525 -5.982 -11.942 967 HA THR 116 HA THR 116 -0.428 -6.615 -14.568 968 HB THR 116 HB THR 116 -2.841 -5.947 -14.188 969 HG1 THR 116 HG1 THR 116 -1.867 -3.958 -15.865 970 HG21 THR 116 1HG2 THR 116 -2.425 -4.113 -12.530 971 HG22 THR 116 2HG2 THR 116 -3.419 -3.600 -13.909 972 HG23 THR 116 3HG2 THR 116 -1.708 -3.139 -13.834 973 H ASP 117 H ASP 117 0.524 -4.981 -15.958 974 HA ASP 117 HA ASP 117 2.185 -3.512 -16.470 975 HB2 ASP 117 1HB ASP 117 0.791 -1.868 -14.339 976 HB3 ASP 117 2HB ASP 117 1.829 -1.245 -15.633 977 H LEU 118 H LEU 118 3.121 -5.436 -14.664 978 HA LEU 118 HA LEU 118 4.516 -4.376 -12.455 979 HB2 LEU 118 1HB LEU 118 5.817 -6.420 -12.492 980 HB3 LEU 118 2HB LEU 118 4.116 -6.744 -12.768 981 HG LEU 118 HG LEU 118 5.065 -6.596 -15.355 982 HD11 LEU 118 1HD1 LEU 118 7.411 -6.457 -14.569 983 HD12 LEU 118 2HD1 LEU 118 7.105 -7.974 -15.439 984 HD13 LEU 118 3HD1 LEU 118 7.199 -7.973 -13.661 985 HD21 LEU 118 3HD2 LEU 118 4.845 -9.041 -15.343 986 HD22 LEU 118 1HD2 LEU 118 3.540 -8.285 -14.405 987 HD23 LEU 118 2HD2 LEU 118 4.906 -9.052 -13.563 988 H GLU 119 H GLU 119 6.520 -3.667 -12.086 989 HA GLU 119 HA GLU 119 7.962 -2.613 -14.465 990 HB2 GLU 119 1HB GLU 119 8.802 -0.865 -12.942 991 HB3 GLU 119 2HB GLU 119 7.053 -0.911 -13.057 992 HG2 GLU 119 1HG GLU 119 7.315 -0.565 -10.799 993 HG3 GLU 119 2HG GLU 119 7.146 -2.323 -10.846 994 H HIS 120 H HIS 120 10.337 -1.908 -12.989 995 HA HIS 120 HA HIS 120 12.406 -2.668 -12.459 996 HB2 HIS 120 1HB HIS 120 10.631 -4.359 -10.965 997 HB3 HIS 120 2HB HIS 120 12.034 -5.302 -11.472 998 HD1 HIS 120 HD1 HIS 120 11.047 -2.230 -9.449 999 HD2 HIS 120 HD2 HIS 120 14.405 -4.674 -10.115 1000 HE1 HIS 120 HE1 HIS 120 12.813 -1.584 -7.710 1001 H HIS 121 H HIS 121 10.575 -5.252 -14.074 1002 HA HIS 121 HA HIS 121 12.836 -6.829 -14.797 1003 HB2 HIS 121 1HB HIS 121 10.391 -7.469 -14.666 1004 HB3 HIS 121 2HB HIS 121 10.152 -6.659 -16.215 1005 HD1 HIS 121 HD1 HIS 121 11.671 -7.682 -18.282 1006 HD2 HIS 121 HD2 HIS 121 11.191 -10.079 -14.875 1007 HE1 HIS 121 HE1 HIS 121 12.263 -10.076 -18.961 1008 H HIS 122 H HIS 122 14.477 -5.590 -15.762 1009 HA HIS 122 HA HIS 122 14.112 -3.848 -17.977 1010 HB2 HIS 122 1HB HIS 122 16.511 -5.500 -17.101 1011 HB3 HIS 122 2HB HIS 122 16.565 -4.332 -18.427 1012 HD1 HIS 122 HD1 HIS 122 18.491 -3.581 -16.339 1013 HD2 HIS 122 HD2 HIS 122 14.438 -2.555 -15.977 1014 HE1 HIS 122 HE1 HIS 122 18.361 -1.611 -14.725 1015 H HIS 123 H HIS 123 14.195 -4.041 -20.145 1016 HA HIS 123 HA HIS 123 14.696 -6.608 -21.485 1017 HB2 HIS 123 1HB HIS 123 12.285 -6.750 -20.738 1018 HB3 HIS 123 2HB HIS 123 11.961 -5.235 -21.582 1019 HD1 HIS 123 HD1 HIS 123 11.117 -5.437 -23.935 1020 HD2 HIS 123 HD2 HIS 123 13.191 -8.877 -22.669 1021 HE1 HIS 123 HE1 HIS 123 10.917 -7.167 -25.800 1022 H HIS 124 H HIS 124 14.837 -6.122 -23.852 1023 HA HIS 124 HA HIS 124 15.734 -3.371 -24.382 1024 HB2 HIS 124 1HB HIS 124 16.865 -5.337 -25.408 1025 HB3 HIS 124 2HB HIS 124 15.360 -5.788 -26.218 1026 HD1 HIS 124 HD1 HIS 124 14.452 -4.033 -28.094 1027 HD2 HIS 124 HD2 HIS 124 18.421 -3.532 -26.818 1028 HE1 HIS 124 HE1 HIS 124 15.629 -2.589 -29.849 1029 H HIS 125 H HIS 125 13.827 -2.204 -23.947 1030 HA HIS 125 HA HIS 125 11.727 -1.358 -24.192 1031 HB2 HIS 125 1HB HIS 125 12.546 -0.801 -26.514 1032 HB3 HIS 125 2HB HIS 125 11.826 -2.314 -27.074 1033 HD1 HIS 125 HD1 HIS 125 10.957 1.213 -26.097 1034 HD2 HIS 125 HD2 HIS 125 8.958 -2.357 -27.004 1035 HE1 HIS 125 HE1 HIS 125 8.510 1.815 -26.488 Start of MODEL 16 1 H21 MYR 1 1H2 MYR 1 0.046 0.263 -1.251 2 H22 MYR 1 2H2 MYR 1 1.603 0.186 -0.460 3 H31 MYR 1 1H3 MYR 1 -0.645 -1.899 -0.272 4 H32 MYR 1 2H3 MYR 1 0.869 -2.073 -1.150 5 H41 MYR 1 1H4 MYR 1 2.047 -1.759 1.207 6 H42 MYR 1 2H4 MYR 1 0.443 -2.023 1.882 7 H51 MYR 1 1H5 MYR 1 0.499 -4.222 0.303 8 H52 MYR 1 2H5 MYR 1 2.233 -3.957 0.354 9 H61 MYR 1 1H6 MYR 1 2.005 -5.380 2.190 10 H62 MYR 1 2H6 MYR 1 1.860 -3.833 3.018 11 H71 MYR 1 1H7 MYR 1 -0.721 -4.060 2.755 12 H72 MYR 1 2H7 MYR 1 -0.435 -5.659 2.091 13 H81 MYR 1 1H8 MYR 1 -0.889 -6.209 4.272 14 H82 MYR 1 2H8 MYR 1 0.863 -6.148 4.352 15 H91 MYR 1 1H9 MYR 1 -0.748 -3.638 5.029 16 H92 MYR 1 2H9 MYR 1 0.873 -4.080 5.544 17 H101 MYR 1 1H10 MYR 1 -0.425 -4.413 7.503 18 H102 MYR 1 2H10 MYR 1 -0.263 -6.047 6.879 19 H111 MYR 1 1H11 MYR 1 -2.705 -4.270 6.294 20 H112 MYR 1 2H11 MYR 1 -2.537 -5.986 5.924 21 H121 MYR 1 1H12 MYR 1 -2.471 -6.551 8.336 22 H122 MYR 1 2H12 MYR 1 -2.532 -4.838 8.762 23 H131 MYR 1 1H13 MYR 1 -4.791 -4.649 7.640 24 H132 MYR 1 2H13 MYR 1 -4.739 -6.365 7.256 25 H141 MYR 1 1H14 MYR 1 -4.695 -5.187 10.095 26 H142 MYR 1 2H14 MYR 1 -6.093 -5.933 9.304 27 H143 MYR 1 3H14 MYR 1 -4.676 -6.919 9.703 28 H GLY 2 H GLY 2 1.781 0.587 1.747 29 HA2 GLY 2 1HA GLY 2 -0.364 0.998 3.581 30 HA3 GLY 2 2HA GLY 2 1.292 1.612 3.772 31 H GLN 3 H GLN 3 1.347 3.165 1.373 32 HA GLN 3 HA GLN 3 0.242 5.587 2.417 33 HB2 GLN 3 1HB GLN 3 1.284 4.938 -0.363 34 HB3 GLN 3 2HB GLN 3 0.959 6.563 0.261 35 HG2 GLN 3 1HG GLN 3 2.636 6.138 2.083 36 HG3 GLN 3 2HG GLN 3 3.032 4.599 1.304 37 HE21 GLN 3 2HE2 GLN 3 4.829 4.682 0.136 38 HE22 GLN 3 1HE2 GLN 3 5.376 6.089 -0.760 39 H GLU 4 H GLU 4 -0.956 3.289 -0.070 40 HA GLU 4 HA GLU 4 -3.094 5.105 -0.845 41 HB2 GLU 4 1HB GLU 4 -3.504 3.663 -2.514 42 HB3 GLU 4 2HB GLU 4 -1.911 3.038 -2.095 43 HG2 GLU 4 1HG GLU 4 -3.102 1.337 -0.623 44 HG3 GLU 4 2HG GLU 4 -4.617 1.893 -1.344 45 H LEU 5 H LEU 5 -2.661 2.514 1.527 46 HA LEU 5 HA LEU 5 -5.421 2.088 2.096 47 HB2 LEU 5 1HB LEU 5 -2.803 1.467 3.283 48 HB3 LEU 5 2HB LEU 5 -4.089 1.662 4.472 49 HG LEU 5 HG LEU 5 -5.405 -0.067 3.425 50 HD11 LEU 5 1HD1 LEU 5 -3.222 -0.330 1.379 51 HD12 LEU 5 2HD1 LEU 5 -4.899 0.204 1.113 52 HD13 LEU 5 3HD1 LEU 5 -4.576 -1.459 1.622 53 HD21 LEU 5 3HD2 LEU 5 -4.039 -1.967 3.979 54 HD22 LEU 5 1HD2 LEU 5 -3.576 -0.641 5.058 55 HD23 LEU 5 2HD2 LEU 5 -2.543 -1.049 3.670 56 H SER 6 H SER 6 -3.117 4.541 3.260 57 HA SER 6 HA SER 6 -4.981 5.634 5.207 58 HB2 SER 6 1HB SER 6 -2.465 5.942 5.242 59 HB3 SER 6 2HB SER 6 -2.638 7.034 3.858 60 HG SER 6 HG SER 6 -4.191 8.192 5.250 61 H GLN 7 H GLN 7 -5.134 5.628 1.856 62 HA GLN 7 HA GLN 7 -6.639 8.227 1.828 63 HB2 GLN 7 1HB GLN 7 -5.229 6.750 -0.424 64 HB3 GLN 7 2HB GLN 7 -6.175 8.232 -0.612 65 HG2 GLN 7 1HG GLN 7 -4.595 9.452 0.809 66 HG3 GLN 7 2HG GLN 7 -3.672 7.968 1.088 67 HE21 GLN 7 2HE2 GLN 7 -2.130 7.378 -0.304 68 HE22 GLN 7 1HE2 GLN 7 -1.802 8.211 -1.814 69 H HIS 8 H HIS 8 -6.822 4.824 1.638 70 HA HIS 8 HA HIS 8 -9.181 4.669 -0.090 71 HB2 HIS 8 1HB HIS 8 -7.436 2.837 0.314 72 HB3 HIS 8 2HB HIS 8 -8.119 2.619 1.910 73 HD1 HIS 8 HD1 HIS 8 -8.973 2.218 -1.795 74 HD2 HIS 8 HD2 HIS 8 -10.441 1.041 1.957 75 HE1 HIS 8 HE1 HIS 8 -10.795 0.479 -2.213 76 H GLU 9 H GLU 9 -10.836 5.924 0.761 77 HA GLU 9 HA GLU 9 -11.222 6.609 3.376 78 HB2 GLU 9 1HB GLU 9 -13.538 7.140 2.800 79 HB3 GLU 9 2HB GLU 9 -12.396 7.632 1.545 80 HG2 GLU 9 1HG GLU 9 -13.000 5.562 0.250 81 HG3 GLU 9 2HG GLU 9 -14.249 5.225 1.457 82 H ARG 10 H ARG 10 -12.636 3.628 1.935 83 HA ARG 10 HA ARG 10 -14.075 2.931 4.298 84 HB2 ARG 10 1HB ARG 10 -13.010 1.220 2.045 85 HB3 ARG 10 2HB ARG 10 -14.043 0.621 3.346 86 HG2 ARG 10 1HG ARG 10 -15.774 2.285 2.693 87 HG3 ARG 10 2HG ARG 10 -14.772 2.710 1.284 88 HD2 ARG 10 1HD ARG 10 -14.826 0.353 0.545 89 HD3 ARG 10 2HD ARG 10 -15.819 -0.064 1.956 90 HE ARG 10 HE ARG 10 -17.107 2.025 0.533 91 HH11 ARG 10 1HH1 ARG 10 -16.382 -1.416 0.135 92 HH12 ARG 10 2HH1 ARG 10 -17.767 -1.684 -0.885 93 HH21 ARG 10 1HH2 ARG 10 -18.855 1.602 -0.768 94 HH22 ARG 10 2HH2 ARG 10 -19.150 -0.005 -1.375 95 H TYR 11 H TYR 11 -10.665 2.310 3.409 96 HA TYR 11 HA TYR 11 -10.287 0.434 5.580 97 HB2 TYR 11 1HB TYR 11 -8.876 0.697 3.466 98 HB3 TYR 11 2HB TYR 11 -8.195 2.154 4.205 99 HD1 TYR 11 HD2 TYR 11 -8.597 -1.524 4.584 100 HD2 TYR 11 HD1 TYR 11 -6.509 1.989 5.918 101 HE1 TYR 11 HE2 TYR 11 -7.013 -2.938 5.850 102 HE2 TYR 11 HE1 TYR 11 -4.912 0.538 7.172 103 HH TYR 11 HH TYR 11 -4.338 -1.564 7.754 104 H VAL 12 H VAL 12 -9.789 3.891 4.964 105 HA VAL 12 HA VAL 12 -8.642 4.574 7.483 106 HB VAL 12 HB VAL 12 -10.292 6.278 5.547 107 HG11 VAL 12 1HG1 VAL 12 -9.161 8.218 6.552 108 HG12 VAL 12 2HG1 VAL 12 -10.128 7.359 7.762 109 HG13 VAL 12 3HG1 VAL 12 -8.363 7.157 7.732 110 HG21 VAL 12 3HG2 VAL 12 -8.134 7.011 4.666 111 HG22 VAL 12 1HG2 VAL 12 -7.270 6.012 5.858 112 HG23 VAL 12 2HG2 VAL 12 -8.218 5.248 4.574 113 H GLU 13 H GLU 13 -12.048 4.099 6.517 114 HA GLU 13 HA GLU 13 -13.267 5.271 8.812 115 HB2 GLU 13 1HB GLU 13 -14.049 3.012 6.991 116 HB3 GLU 13 2HB GLU 13 -15.062 3.482 8.354 117 HG2 GLU 13 1HG GLU 13 -15.688 5.473 7.402 118 HG3 GLU 13 2HG GLU 13 -14.190 5.637 6.479 119 H GLN 14 H GLN 14 -12.289 1.848 8.273 120 HA GLN 14 HA GLN 14 -12.985 1.081 10.964 121 HB2 GLN 14 1HB GLN 14 -11.144 -0.181 8.897 122 HB3 GLN 14 2HB GLN 14 -11.583 -0.944 10.428 123 HG2 GLN 14 1HG GLN 14 -13.508 -0.154 8.220 124 HG3 GLN 14 2HG GLN 14 -12.948 -1.790 8.584 125 HE21 GLN 14 2HE2 GLN 14 -13.194 -2.211 11.161 126 HE22 GLN 14 1HE2 GLN 14 -14.821 -1.885 11.726 127 H LEU 15 H LEU 15 -9.910 2.017 9.403 128 HA LEU 15 HA LEU 15 -8.348 1.458 11.727 129 HB2 LEU 15 1HB LEU 15 -7.829 2.254 9.097 130 HB3 LEU 15 2HB LEU 15 -7.196 3.539 10.119 131 HG LEU 15 HG LEU 15 -5.969 1.801 11.454 132 HD11 LEU 15 1HD1 LEU 15 -6.898 -0.020 9.191 133 HD12 LEU 15 2HD1 LEU 15 -7.229 -0.211 10.929 134 HD13 LEU 15 3HD1 LEU 15 -5.578 -0.411 10.320 135 HD21 LEU 15 3HD2 LEU 15 -4.826 3.129 9.812 136 HD22 LEU 15 1HD2 LEU 15 -5.394 2.088 8.495 137 HD23 LEU 15 2HD2 LEU 15 -4.232 1.461 9.692 138 H LYS 16 H LYS 16 -10.376 4.174 10.937 139 HA LYS 16 HA LYS 16 -9.202 6.222 12.495 140 HB2 LYS 16 1HB LYS 16 -11.614 5.854 11.164 141 HB3 LYS 16 2HB LYS 16 -12.124 5.926 12.843 142 HG2 LYS 16 1HG LYS 16 -12.262 8.147 12.222 143 HG3 LYS 16 2HG LYS 16 -10.645 8.083 12.938 144 HD2 LYS 16 1HD LYS 16 -10.002 9.097 11.015 145 HD3 LYS 16 2HD LYS 16 -10.065 7.468 10.326 146 HE2 LYS 16 1HE LYS 16 -12.379 9.467 10.292 147 HE3 LYS 16 2HE LYS 16 -11.248 9.219 8.954 148 HZ1 LYS 16 3HZ LYS 16 -12.012 6.882 8.883 149 HZ2 LYS 16 1HZ LYS 16 -13.214 7.964 8.541 150 HZ3 LYS 16 2HZ LYS 16 -13.159 7.226 10.017 151 H GLN 17 H GLN 17 -11.105 3.393 13.440 152 HA GLN 17 HA GLN 17 -11.083 4.154 16.273 153 HB2 GLN 17 1HB GLN 17 -11.872 1.566 14.876 154 HB3 GLN 17 2HB GLN 17 -12.107 1.911 16.591 155 HG2 GLN 17 1HG GLN 17 -13.394 3.456 14.305 156 HG3 GLN 17 2HG GLN 17 -14.175 2.184 15.252 157 HE21 GLN 17 2HE2 GLN 17 -15.095 2.671 17.176 158 HE22 GLN 17 1HE2 GLN 17 -15.055 4.258 17.904 159 H ALA 18 H ALA 18 -9.517 1.675 14.176 160 HA ALA 18 HA ALA 18 -8.140 0.347 16.206 161 HB1 ALA 18 3HB ALA 18 -7.142 0.785 13.372 162 HB2 ALA 18 1HB ALA 18 -6.711 -0.545 14.469 163 HB3 ALA 18 2HB ALA 18 -8.373 -0.415 13.846 164 H LEU 19 H LEU 19 -7.076 3.309 14.487 165 HA LEU 19 HA LEU 19 -4.415 3.367 15.546 166 HB2 LEU 19 1HB LEU 19 -6.333 5.340 14.385 167 HB3 LEU 19 2HB LEU 19 -5.106 6.010 15.434 168 HG LEU 19 HG LEU 19 -4.493 6.278 13.126 169 HD11 LEU 19 1HD1 LEU 19 -2.234 5.366 13.145 170 HD12 LEU 19 2HD1 LEU 19 -2.683 4.268 14.473 171 HD13 LEU 19 3HD1 LEU 19 -2.693 6.026 14.729 172 HD21 LEU 19 3HD2 LEU 19 -3.871 4.428 11.675 173 HD22 LEU 19 1HD2 LEU 19 -5.601 4.412 12.093 174 HD23 LEU 19 2HD2 LEU 19 -4.489 3.277 12.891 175 H LYS 20 H LYS 20 -7.543 4.465 16.865 176 HA LYS 20 HA LYS 20 -6.246 5.705 19.190 177 HB2 LYS 20 1HB LYS 20 -9.172 5.236 18.516 178 HB3 LYS 20 2HB LYS 20 -8.581 6.134 19.920 179 HG2 LYS 20 1HG LYS 20 -7.447 7.723 18.375 180 HG3 LYS 20 2HG LYS 20 -8.199 6.866 17.011 181 HD2 LYS 20 1HD LYS 20 -10.442 7.322 18.007 182 HD3 LYS 20 2HD LYS 20 -9.653 8.229 19.314 183 HE2 LYS 20 1HE LYS 20 -10.438 9.808 17.672 184 HE3 LYS 20 2HE LYS 20 -8.661 9.749 17.575 185 HZ1 LYS 20 3HZ LYS 20 -9.678 9.644 15.381 186 HZ2 LYS 20 1HZ LYS 20 -10.530 8.290 15.792 187 HZ3 LYS 20 2HZ LYS 20 -8.890 8.227 15.698 188 H THR 21 H THR 21 -8.057 2.677 18.579 189 HA THR 21 HA THR 21 -8.615 2.167 21.342 190 HB THR 21 HB THR 21 -8.888 -0.248 20.554 191 HG1 THR 21 HG1 THR 21 -9.014 0.060 18.008 192 HG21 THR 21 1HG2 THR 21 -10.317 1.882 18.922 193 HG22 THR 21 2HG2 THR 21 -10.779 1.343 20.553 194 HG23 THR 21 3HG2 THR 21 -10.861 0.214 19.181 195 H ARG 22 H ARG 22 -5.672 1.803 19.519 196 HA ARG 22 HA ARG 22 -4.513 -0.169 21.297 197 HB2 ARG 22 1HB ARG 22 -3.810 0.362 18.909 198 HB3 ARG 22 2HB ARG 22 -3.092 1.854 19.521 199 HG2 ARG 22 1HG ARG 22 -1.351 0.216 19.278 200 HG3 ARG 22 2HG ARG 22 -1.621 0.459 21.003 201 HD2 ARG 22 1HD ARG 22 -3.040 -1.573 21.057 202 HD3 ARG 22 2HD ARG 22 -2.659 -1.848 19.343 203 HE ARG 22 HE ARG 22 -0.224 -1.539 20.746 204 HH11 ARG 22 1HH1 ARG 22 -2.875 -3.866 20.641 205 HH12 ARG 22 2HH1 ARG 22 -1.830 -5.202 21.098 206 HH21 ARG 22 1HH2 ARG 22 1.019 -3.290 21.322 207 HH22 ARG 22 2HH2 ARG 22 0.314 -4.888 21.426 208 H GLY 23 H GLY 23 -5.211 3.189 21.569 209 HA2 GLY 23 1HA GLY 23 -4.947 4.521 23.442 210 HA3 GLY 23 2HA GLY 23 -3.971 3.255 24.203 211 H VAL 24 H VAL 24 -2.605 3.594 21.279 212 HA VAL 24 HA VAL 24 -0.441 5.281 22.354 213 HB VAL 24 HB VAL 24 -0.628 3.700 19.741 214 HG11 VAL 24 1HG1 VAL 24 1.788 4.932 21.151 215 HG12 VAL 24 2HG1 VAL 24 1.826 3.960 19.661 216 HG13 VAL 24 3HG1 VAL 24 1.036 5.545 19.662 217 HG21 VAL 24 3HG2 VAL 24 0.794 2.032 20.868 218 HG22 VAL 24 1HG2 VAL 24 0.756 2.986 22.369 219 HG23 VAL 24 2HG2 VAL 24 -0.731 2.238 21.749 220 H LYS 25 H LYS 25 -0.081 7.335 21.691 221 HA LYS 25 HA LYS 25 -2.175 8.536 19.993 222 HB2 LYS 25 1HB LYS 25 0.047 9.711 21.720 223 HB3 LYS 25 2HB LYS 25 -1.023 10.682 20.706 224 HG2 LYS 25 1HG LYS 25 -2.061 10.848 22.783 225 HG3 LYS 25 2HG LYS 25 -2.975 9.543 22.014 226 HD2 LYS 25 1HD LYS 25 -1.522 7.891 23.252 227 HD3 LYS 25 2HD LYS 25 -0.753 9.244 24.091 228 HE2 LYS 25 1HE LYS 25 -2.866 9.852 25.127 229 HE3 LYS 25 2HE LYS 25 -3.742 8.672 24.123 230 HZ1 LYS 25 3HZ LYS 25 -1.690 7.984 26.152 231 HZ2 LYS 25 1HZ LYS 25 -2.493 6.899 25.198 232 HZ3 LYS 25 2HZ LYS 25 -3.317 7.781 26.327 233 H VAL 26 H VAL 26 -1.543 7.620 17.989 234 HA VAL 26 HA VAL 26 0.793 9.029 16.761 235 HB VAL 26 HB VAL 26 0.960 6.895 15.266 236 HG11 VAL 26 1HG1 VAL 26 2.556 5.837 16.865 237 HG12 VAL 26 2HG1 VAL 26 2.755 7.598 16.731 238 HG13 VAL 26 3HG1 VAL 26 1.935 6.906 18.146 239 HG21 VAL 26 3HG2 VAL 26 -1.119 5.820 16.229 240 HG22 VAL 26 1HG2 VAL 26 0.318 4.784 16.267 241 HG23 VAL 26 2HG2 VAL 26 -0.241 5.584 17.749 242 H LYS 27 H LYS 27 0.677 9.285 14.487 243 HA LYS 27 HA LYS 27 -2.099 9.893 13.624 244 HB2 LYS 27 1HB LYS 27 -0.037 11.438 13.538 245 HB3 LYS 27 2HB LYS 27 0.551 10.430 12.220 246 HG2 LYS 27 1HG LYS 27 -1.352 11.086 10.826 247 HG3 LYS 27 2HG LYS 27 -2.063 11.983 12.189 248 HD2 LYS 27 1HD LYS 27 0.010 13.388 12.286 249 HD3 LYS 27 2HD LYS 27 0.610 12.572 10.836 250 HE2 LYS 27 1HE LYS 27 -2.030 14.091 10.947 251 HE3 LYS 27 2HE LYS 27 -0.493 14.840 10.485 252 HZ1 LYS 27 3HZ LYS 27 -1.724 14.152 8.545 253 HZ2 LYS 27 1HZ LYS 27 -1.784 12.587 9.060 254 HZ3 LYS 27 2HZ LYS 27 -0.337 13.267 8.652 255 H PHE 28 H PHE 28 -2.764 9.254 11.406 256 HA PHE 28 HA PHE 28 -2.359 6.505 10.740 257 HB2 PHE 28 1HB PHE 28 -3.368 8.977 9.305 258 HB3 PHE 28 2HB PHE 28 -3.000 7.544 8.345 259 HD1 PHE 28 HD1 PHE 28 -4.981 8.532 11.405 260 HD2 PHE 28 HD2 PHE 28 -4.610 5.970 7.966 261 HE1 PHE 28 HE1 PHE 28 -7.237 7.581 11.869 262 HE2 PHE 28 HE2 PHE 28 -6.847 5.030 8.416 263 HZ PHE 28 HZ PHE 28 -8.179 5.840 10.353 264 H ALA 29 H ALA 29 -0.690 9.469 9.711 265 HA ALA 29 HA ALA 29 0.778 8.369 7.566 266 HB1 ALA 29 3HB ALA 29 2.316 10.264 7.932 267 HB2 ALA 29 1HB ALA 29 0.627 10.805 8.067 268 HB3 ALA 29 2HB ALA 29 1.612 10.550 9.539 269 H ASP 30 H ASP 30 1.407 8.476 11.059 270 HA ASP 30 HA ASP 30 4.089 7.546 10.920 271 HB2 ASP 30 1HB ASP 30 2.128 7.183 13.216 272 HB3 ASP 30 2HB ASP 30 3.891 7.232 13.323 273 H LEU 31 H LEU 31 0.913 5.989 11.344 274 HA LEU 31 HA LEU 31 2.071 3.414 11.844 275 HB2 LEU 31 1HB LEU 31 -0.108 4.025 12.739 276 HB3 LEU 31 2HB LEU 31 -0.756 4.173 11.104 277 HG LEU 31 HG LEU 31 -0.474 1.784 10.713 278 HD11 LEU 31 1HD1 LEU 31 0.163 0.294 12.667 279 HD12 LEU 31 2HD1 LEU 31 0.783 1.749 13.478 280 HD13 LEU 31 3HD1 LEU 31 1.495 1.203 11.933 281 HD21 LEU 31 3HD2 LEU 31 -2.094 0.930 12.333 282 HD22 LEU 31 1HD2 LEU 31 -2.531 2.553 11.763 283 HD23 LEU 31 2HD2 LEU 31 -1.807 2.346 13.374 284 H LEU 32 H LEU 32 0.247 4.704 9.051 285 HA LEU 32 HA LEU 32 0.553 2.288 7.545 286 HB2 LEU 32 1HB LEU 32 -0.206 5.104 6.809 287 HB3 LEU 32 2HB LEU 32 0.070 3.901 5.570 288 HG LEU 32 HG LEU 32 -2.268 4.028 5.929 289 HD11 LEU 32 1HD1 LEU 32 -1.412 1.516 7.393 290 HD12 LEU 32 2HD1 LEU 32 -1.354 1.728 5.626 291 HD13 LEU 32 3HD1 LEU 32 -2.907 1.789 6.477 292 HD21 LEU 32 3HD2 LEU 32 -3.367 3.711 8.025 293 HD22 LEU 32 1HD2 LEU 32 -2.200 5.030 8.159 294 HD23 LEU 32 2HD2 LEU 32 -1.811 3.435 8.859 295 H LYS 33 H LYS 33 2.768 4.893 8.057 296 HA LYS 33 HA LYS 33 4.496 4.582 5.815 297 HB2 LYS 33 1HB LYS 33 4.845 6.249 7.602 298 HB3 LYS 33 2HB LYS 33 5.189 4.958 8.758 299 HG2 LYS 33 1HG LYS 33 7.179 4.326 7.450 300 HG3 LYS 33 2HG LYS 33 6.845 5.655 6.317 301 HD2 LYS 33 1HD LYS 33 7.000 7.259 8.226 302 HD3 LYS 33 2HD LYS 33 7.438 5.908 9.292 303 HE2 LYS 33 1HE LYS 33 8.986 6.824 6.831 304 HE3 LYS 33 2HE LYS 33 9.434 7.149 8.517 305 HZ1 LYS 33 3HZ LYS 33 10.653 5.263 7.635 306 HZ2 LYS 33 1HZ LYS 33 9.258 4.461 7.273 307 HZ3 LYS 33 2HZ LYS 33 9.655 4.752 8.847 308 H PHE 34 H PHE 34 4.127 2.589 8.761 309 HA PHE 34 HA PHE 34 6.322 0.834 7.978 310 HB2 PHE 34 1HB PHE 34 4.308 0.838 10.218 311 HB3 PHE 34 2HB PHE 34 5.420 -0.505 9.967 312 HD1 PHE 34 HD1 PHE 34 5.170 3.082 10.812 313 HD2 PHE 34 HD2 PHE 34 7.804 -0.284 10.418 314 HE1 PHE 34 HE1 PHE 34 6.948 4.365 11.975 315 HE2 PHE 34 HE2 PHE 34 9.608 0.990 11.575 316 HZ PHE 34 HZ PHE 34 9.179 3.324 12.358 317 H PHE 35 H PHE 35 2.863 0.917 7.430 318 HA PHE 35 HA PHE 35 2.616 -1.874 6.658 319 HB2 PHE 35 1HB PHE 35 1.032 0.635 6.018 320 HB3 PHE 35 2HB PHE 35 0.682 -0.902 5.237 321 HD1 PHE 35 HD2 PHE 35 1.499 -0.059 8.858 322 HD2 PHE 35 HD1 PHE 35 -1.299 -1.734 6.048 323 HE1 PHE 35 HE2 PHE 35 0.037 -0.762 10.726 324 HE2 PHE 35 HE1 PHE 35 -2.755 -2.435 7.929 325 HZ PHE 35 HZ PHE 35 -2.099 -1.946 10.271 326 H ASP 36 H ASP 36 3.738 1.130 5.114 327 HA ASP 36 HA ASP 36 3.910 -0.137 2.484 328 HB2 ASP 36 1HB ASP 36 3.699 2.436 3.253 329 HB3 ASP 36 2HB ASP 36 5.460 2.339 3.087 330 H PHE 37 H PHE 37 5.944 0.112 5.293 331 HA PHE 37 HA PHE 37 8.478 -0.352 3.993 332 HB2 PHE 37 1HB PHE 37 8.151 0.519 6.323 333 HB3 PHE 37 2HB PHE 37 7.605 -1.088 6.812 334 HD1 PHE 37 HD1 PHE 37 10.535 0.581 5.129 335 HD2 PHE 37 HD2 PHE 37 9.160 -2.580 7.703 336 HE1 PHE 37 HE1 PHE 37 12.899 -0.082 5.571 337 HE2 PHE 37 HE2 PHE 37 11.517 -3.250 8.151 338 HZ PHE 37 HZ PHE 37 13.394 -1.997 7.087 339 H VAL 38 H VAL 38 5.775 -2.378 4.950 340 HA VAL 38 HA VAL 38 7.008 -4.960 4.785 341 HB VAL 38 HB VAL 38 4.206 -4.124 3.838 342 HG11 VAL 38 1HG1 VAL 38 5.351 -6.864 4.503 343 HG12 VAL 38 2HG1 VAL 38 3.611 -6.540 4.355 344 HG13 VAL 38 3HG1 VAL 38 4.678 -6.318 2.957 345 HG21 VAL 38 3HG2 VAL 38 4.533 -3.489 6.105 346 HG22 VAL 38 1HG2 VAL 38 3.418 -4.848 5.984 347 HG23 VAL 38 2HG2 VAL 38 5.094 -5.124 6.516 348 H LYS 39 H LYS 39 5.538 -2.759 2.437 349 HA LYS 39 HA LYS 39 5.349 -4.614 0.380 350 HB2 LYS 39 1HB LYS 39 4.173 -2.429 0.550 351 HB3 LYS 39 2HB LYS 39 5.689 -1.608 0.223 352 HG2 LYS 39 1HG LYS 39 5.749 -2.676 -2.041 353 HG3 LYS 39 2HG LYS 39 4.149 -3.372 -1.696 354 HD2 LYS 39 1HD LYS 39 3.708 -1.363 -2.901 355 HD3 LYS 39 2HD LYS 39 3.383 -0.980 -1.201 356 HE2 LYS 39 1HE LYS 39 5.815 -0.096 -1.103 357 HE3 LYS 39 2HE LYS 39 5.796 -0.184 -2.874 358 HZ1 LYS 39 3HZ LYS 39 3.968 1.395 -1.149 359 HZ2 LYS 39 1HZ LYS 39 3.830 1.289 -2.796 360 HZ3 LYS 39 2HZ LYS 39 5.157 2.000 -2.115 361 H ASP 40 H ASP 40 7.972 -2.292 1.101 362 HA ASP 40 HA ASP 40 9.389 -2.844 -1.356 363 HB2 ASP 40 1HB ASP 40 9.520 -0.756 0.123 364 HB3 ASP 40 2HB ASP 40 10.591 -1.694 1.176 365 H THR 41 H THR 41 9.626 -4.091 1.973 366 HA THR 41 HA THR 41 12.056 -5.594 1.403 367 HB THR 41 HB THR 41 10.168 -6.135 3.735 368 HG1 THR 41 HG1 THR 41 10.443 -3.951 3.866 369 HG21 THR 41 1HG2 THR 41 12.174 -7.597 3.416 370 HG22 THR 41 2HG2 THR 41 12.257 -6.636 4.903 371 HG23 THR 41 3HG2 THR 41 13.204 -6.150 3.484 372 H CYS 42 H CYS 42 8.581 -6.231 1.537 373 HA CYS 42 HA CYS 42 9.057 -8.990 0.478 374 HB2 CYS 42 1HB CYS 42 6.846 -7.984 2.308 375 HB3 CYS 42 2HB CYS 42 6.953 -9.610 1.628 376 HG CYS 42 HG CYS 42 9.095 -8.095 3.608 377 HA PRO 43 HA PRO 43 6.456 -6.495 -2.433 378 HB2 PRO 43 1HB PRO 43 7.584 -7.293 -4.782 379 HB3 PRO 43 2HB PRO 43 8.321 -6.016 -3.760 380 HG2 PRO 43 1HG PRO 43 8.992 -8.951 -3.891 381 HG3 PRO 43 2HG PRO 43 10.092 -7.539 -3.993 382 HD2 PRO 43 1HD PRO 43 9.693 -8.906 -1.672 383 HD3 PRO 43 2HD PRO 43 9.953 -7.119 -1.691 384 H TRP 44 H TRP 44 7.271 -9.799 -2.017 385 HA TRP 44 HA TRP 44 5.181 -10.871 -3.760 386 HB2 TRP 44 1HB TRP 44 5.941 -12.994 -2.428 387 HB3 TRP 44 2HB TRP 44 7.008 -12.280 -3.649 388 HD1 TRP 44 HD1 TRP 44 6.498 -11.947 0.169 389 HE1 TRP 44 HE1 TRP 44 8.741 -11.593 1.336 390 HE3 TRP 44 HE3 TRP 44 9.400 -11.818 -4.012 391 HZ2 TRP 44 HZ2 TRP 44 11.456 -11.231 0.533 392 HZ3 TRP 44 HZ3 TRP 44 11.865 -11.448 -3.756 393 HH2 TRP 44 HH2 TRP 44 12.870 -11.151 -1.489 394 H PHE 45 H PHE 45 5.306 -9.575 -0.519 395 HA PHE 45 HA PHE 45 3.310 -11.358 0.570 396 HB2 PHE 45 1HB PHE 45 4.757 -10.002 2.021 397 HB3 PHE 45 2HB PHE 45 3.974 -8.529 1.439 398 HD1 PHE 45 HD1 PHE 45 3.547 -11.596 3.468 399 HD2 PHE 45 HD2 PHE 45 1.713 -7.929 2.165 400 HE1 PHE 45 HE1 PHE 45 1.769 -11.866 5.182 401 HE2 PHE 45 HE2 PHE 45 -0.078 -8.228 3.865 402 HZ PHE 45 HZ PHE 45 -0.051 -10.190 5.381 403 HA PRO 46 HA PRO 46 0.058 -8.264 -0.593 404 HB2 PRO 46 1HB PRO 46 0.379 -6.498 -2.656 405 HB3 PRO 46 2HB PRO 46 0.763 -6.078 -0.958 406 HG2 PRO 46 1HG PRO 46 2.611 -7.028 -3.121 407 HG3 PRO 46 2HG PRO 46 2.761 -5.592 -2.058 408 HD2 PRO 46 1HD PRO 46 4.040 -7.873 -1.482 409 HD3 PRO 46 2HD PRO 46 3.288 -6.895 -0.180 410 H GLN 47 H GLN 47 2.327 -9.569 -2.908 411 HA GLN 47 HA GLN 47 0.491 -10.092 -5.050 412 HB2 GLN 47 1HB GLN 47 3.017 -10.004 -5.113 413 HB3 GLN 47 2HB GLN 47 3.030 -11.577 -4.316 414 HG2 GLN 47 1HG GLN 47 1.935 -12.609 -6.195 415 HG3 GLN 47 2HG GLN 47 1.705 -11.031 -6.970 416 HE21 GLN 47 2HE2 GLN 47 2.928 -11.197 -8.750 417 HE22 GLN 47 1HE2 GLN 47 4.643 -11.522 -8.734 418 H GLU 48 H GLU 48 1.240 -11.760 -2.010 419 HA GLU 48 HA GLU 48 -0.007 -14.275 -2.745 420 HB2 GLU 48 1HB GLU 48 0.607 -12.969 -0.072 421 HB3 GLU 48 2HB GLU 48 -0.184 -14.537 -0.215 422 HG2 GLU 48 1HG GLU 48 1.775 -15.428 -1.443 423 HG3 GLU 48 2HG GLU 48 2.586 -13.871 -1.272 424 H GLY 49 H GLY 49 -1.194 -11.130 -1.928 425 HA2 GLY 49 1HA GLY 49 -3.315 -10.300 -1.832 426 HA3 GLY 49 2HA GLY 49 -3.806 -11.752 -2.696 427 H THR 50 H THR 50 -2.450 -12.325 0.435 428 HA THR 50 HA THR 50 -5.205 -12.631 1.554 429 HB THR 50 HB THR 50 -2.968 -14.680 1.721 430 HG1 THR 50 HG1 THR 50 -3.922 -14.492 -0.387 431 HG21 THR 50 1HG2 THR 50 -4.438 -14.855 3.646 432 HG22 THR 50 2HG2 THR 50 -4.855 -16.162 2.514 433 HG23 THR 50 3HG2 THR 50 -5.880 -14.715 2.608 434 H ILE 51 H ILE 51 -5.410 -12.066 3.674 435 HA ILE 51 HA ILE 51 -2.862 -11.300 5.063 436 HB ILE 51 HB ILE 51 -5.690 -10.333 5.581 437 HG12 ILE 51 1HG1 ILE 51 -4.889 -9.431 3.487 438 HG13 ILE 51 2HG1 ILE 51 -4.933 -8.209 4.733 439 HG21 ILE 51 1HG2 ILE 51 -4.552 -8.635 7.048 440 HG22 ILE 51 2HG2 ILE 51 -4.367 -10.294 7.650 441 HG23 ILE 51 3HG2 ILE 51 -3.011 -9.497 6.818 442 HD11 ILE 51 3HD1 ILE 51 -2.507 -8.258 4.955 443 HD12 ILE 51 1HD1 ILE 51 -2.416 -9.569 3.749 444 HD13 ILE 51 2HD1 ILE 51 -2.990 -7.963 3.274 445 H ASP 52 H ASP 52 -2.215 -12.723 6.364 446 HA ASP 52 HA ASP 52 -4.024 -14.010 8.321 447 HB2 ASP 52 1HB ASP 52 -3.974 -15.511 6.303 448 HB3 ASP 52 2HB ASP 52 -2.217 -15.591 6.481 449 H ILE 53 H ILE 53 -2.818 -14.918 10.021 450 HA ILE 53 HA ILE 53 -0.478 -13.373 10.609 451 HB ILE 53 HB ILE 53 -2.214 -14.176 12.182 452 HG12 ILE 53 1HG1 ILE 53 -0.668 -14.628 14.075 453 HG13 ILE 53 2HG1 ILE 53 0.619 -14.966 12.926 454 HG21 ILE 53 1HG2 ILE 53 -2.440 -16.517 11.438 455 HG22 ILE 53 2HG2 ILE 53 -0.808 -16.870 12.067 456 HG23 ILE 53 3HG2 ILE 53 -2.116 -16.408 13.180 457 HD11 ILE 53 3HD1 ILE 53 -0.748 -12.277 13.094 458 HD12 ILE 53 1HD1 ILE 53 0.700 -12.705 14.023 459 HD13 ILE 53 2HD1 ILE 53 0.767 -12.686 12.251 460 H LYS 54 H LYS 54 -0.992 -16.594 9.303 461 HA LYS 54 HA LYS 54 1.655 -17.588 9.811 462 HB2 LYS 54 1HB LYS 54 -0.224 -18.258 7.519 463 HB3 LYS 54 2HB LYS 54 1.130 -19.246 8.080 464 HG2 LYS 54 1HG LYS 54 -0.021 -19.643 10.226 465 HG3 LYS 54 2HG LYS 54 -1.327 -18.550 9.738 466 HD2 LYS 54 1HD LYS 54 -1.606 -20.116 7.686 467 HD3 LYS 54 2HD LYS 54 -0.651 -21.277 8.625 468 HE2 LYS 54 1HE LYS 54 -3.003 -21.726 9.004 469 HE3 LYS 54 2HE LYS 54 -2.337 -21.035 10.498 470 HZ1 LYS 54 3HZ LYS 54 -3.378 -18.967 10.019 471 HZ2 LYS 54 1HZ LYS 54 -4.539 -20.094 9.701 472 HZ3 LYS 54 2HZ LYS 54 -3.715 -19.364 8.465 473 H ARG 55 H ARG 55 0.215 -15.572 7.295 474 HA ARG 55 HA ARG 55 2.652 -15.611 5.656 475 HB2 ARG 55 1HB ARG 55 0.120 -13.935 5.489 476 HB3 ARG 55 2HB ARG 55 1.390 -14.017 4.257 477 HG2 ARG 55 1HG ARG 55 0.912 -16.370 3.852 478 HG3 ARG 55 2HG ARG 55 -0.264 -16.401 5.180 479 HD2 ARG 55 1HD ARG 55 -1.597 -14.681 4.005 480 HD3 ARG 55 2HD ARG 55 -0.473 -14.764 2.642 481 HE ARG 55 HE ARG 55 -2.521 -16.721 3.399 482 HH11 ARG 55 1HH1 ARG 55 0.337 -16.151 1.390 483 HH12 ARG 55 2HH1 ARG 55 -0.118 -17.413 0.263 484 HH21 ARG 55 1HH2 ARG 55 -3.012 -18.294 1.918 485 HH22 ARG 55 2HH2 ARG 55 -1.964 -18.595 0.562 486 H TRP 56 H TRP 56 0.998 -13.438 7.948 487 HA TRP 56 HA TRP 56 2.722 -11.198 7.583 488 HB2 TRP 56 1HB TRP 56 0.515 -11.216 8.755 489 HB3 TRP 56 2HB TRP 56 1.278 -12.059 10.109 490 HD1 TRP 56 HD1 TRP 56 2.151 -10.506 11.956 491 HE1 TRP 56 HE1 TRP 56 2.782 -8.053 12.231 492 HE3 TRP 56 HE3 TRP 56 1.608 -9.110 7.073 493 HZ2 TRP 56 HZ2 TRP 56 3.031 -5.777 10.541 494 HZ3 TRP 56 HZ3 TRP 56 2.086 -6.741 6.446 495 HH2 TRP 56 HH2 TRP 56 2.776 -5.087 8.186 496 H ARG 57 H ARG 57 3.081 -14.170 9.479 497 HA ARG 57 HA ARG 57 5.303 -13.331 11.067 498 HB2 ARG 57 1HB ARG 57 4.315 -15.991 10.098 499 HB3 ARG 57 2HB ARG 57 5.844 -15.856 10.990 500 HG2 ARG 57 1HG ARG 57 4.813 -15.169 12.955 501 HG3 ARG 57 2HG ARG 57 3.403 -14.508 12.114 502 HD2 ARG 57 1HD ARG 57 2.648 -16.789 11.581 503 HD3 ARG 57 2HD ARG 57 4.036 -17.444 12.473 504 HE ARG 57 HE ARG 57 2.569 -15.617 14.127 505 HH11 ARG 57 1HH1 ARG 57 2.232 -18.870 12.819 506 HH12 ARG 57 2HH1 ARG 57 1.089 -19.344 14.049 507 HH21 ARG 57 1HH2 ARG 57 1.075 -16.282 15.651 508 HH22 ARG 57 2HH2 ARG 57 0.458 -17.903 15.625 509 H ARG 58 H ARG 58 5.159 -14.745 7.803 510 HA ARG 58 HA ARG 58 7.933 -14.893 7.306 511 HB2 ARG 58 1HB ARG 58 5.813 -14.045 5.308 512 HB3 ARG 58 2HB ARG 58 7.423 -14.647 4.942 513 HG2 ARG 58 1HG ARG 58 6.783 -16.818 6.058 514 HG3 ARG 58 2HG ARG 58 5.125 -16.187 6.177 515 HD2 ARG 58 1HD ARG 58 5.248 -17.503 4.170 516 HD3 ARG 58 2HD ARG 58 5.180 -15.798 3.681 517 HE ARG 58 HE ARG 58 7.880 -16.901 3.978 518 HH11 ARG 58 1HH1 ARG 58 5.255 -16.278 1.648 519 HH12 ARG 58 2HH1 ARG 58 6.341 -16.415 0.299 520 HH21 ARG 58 1HH2 ARG 58 9.164 -17.037 2.186 521 HH22 ARG 58 2HH2 ARG 58 8.497 -16.822 0.590 522 H VAL 59 H VAL 59 5.861 -12.013 7.329 523 HA VAL 59 HA VAL 59 7.710 -10.319 5.903 524 HB VAL 59 HB VAL 59 5.587 -9.557 7.968 525 HG11 VAL 59 1HG1 VAL 59 6.972 -7.902 5.834 526 HG12 VAL 59 2HG1 VAL 59 5.602 -7.365 6.842 527 HG13 VAL 59 3HG1 VAL 59 7.159 -7.744 7.593 528 HG21 VAL 59 3HG2 VAL 59 4.594 -10.814 6.158 529 HG22 VAL 59 1HG2 VAL 59 4.169 -9.103 5.993 530 HG23 VAL 59 2HG2 VAL 59 5.433 -9.808 4.954 531 H GLY 60 H GLY 60 7.156 -11.109 9.330 532 HA2 GLY 60 1HA GLY 60 9.123 -9.218 10.275 533 HA3 GLY 60 2HA GLY 60 8.373 -10.537 11.197 534 H ASP 61 H ASP 61 9.093 -12.650 9.396 535 HA ASP 61 HA ASP 61 11.724 -13.294 10.287 536 HB2 ASP 61 1HB ASP 61 10.195 -14.351 7.868 537 HB3 ASP 61 2HB ASP 61 11.612 -15.114 8.599 538 H CYS 62 H CYS 62 10.440 -11.834 7.302 539 HA CYS 62 HA CYS 62 12.895 -11.725 5.850 540 HB2 CYS 62 1HB CYS 62 10.322 -11.194 5.279 541 HB3 CYS 62 2HB CYS 62 10.867 -9.543 5.560 542 HG CYS 62 HG CYS 62 10.796 -9.933 3.028 543 H PHE 63 H PHE 63 11.317 -9.348 8.053 544 HA PHE 63 HA PHE 63 13.318 -7.317 7.723 545 HB2 PHE 63 1HB PHE 63 11.659 -7.976 10.184 546 HB3 PHE 63 2HB PHE 63 12.577 -6.500 9.950 547 HD1 PHE 63 HD1 PHE 63 11.790 -6.150 6.910 548 HD2 PHE 63 HD2 PHE 63 9.538 -6.873 10.509 549 HE1 PHE 63 HE1 PHE 63 9.816 -5.032 5.896 550 HE2 PHE 63 HE2 PHE 63 7.569 -5.734 9.504 551 HZ PHE 63 HZ PHE 63 7.701 -4.817 7.189 552 H GLN 64 H GLN 64 13.059 -10.158 9.876 553 HA GLN 64 HA GLN 64 15.347 -9.478 11.480 554 HB2 GLN 64 1HB GLN 64 13.589 -11.084 12.153 555 HB3 GLN 64 2HB GLN 64 14.102 -12.178 10.864 556 HG2 GLN 64 1HG GLN 64 16.288 -12.465 11.918 557 HG3 GLN 64 2HG GLN 64 15.846 -11.307 13.188 558 HE21 GLN 64 2HE2 GLN 64 15.729 -14.561 12.150 559 HE22 GLN 64 1HE2 GLN 64 14.747 -15.175 13.456 560 H ASP 65 H ASP 65 14.918 -11.439 8.519 561 HA ASP 65 HA ASP 65 17.578 -12.452 8.438 562 HB2 ASP 65 1HB ASP 65 15.530 -13.110 7.063 563 HB3 ASP 65 2HB ASP 65 15.874 -11.721 6.034 564 H TYR 66 H TYR 66 16.064 -9.565 6.969 565 HA TYR 66 HA TYR 66 18.455 -8.573 5.766 566 HB2 TYR 66 1HB TYR 66 16.009 -7.895 5.398 567 HB3 TYR 66 2HB TYR 66 16.169 -6.898 6.836 568 HD1 TYR 66 HD2 TYR 66 19.321 -6.881 5.034 569 HD2 TYR 66 HD1 TYR 66 15.346 -5.192 4.992 570 HE1 TYR 66 HE2 TYR 66 20.115 -5.017 3.600 571 HE2 TYR 66 HE1 TYR 66 16.170 -3.334 3.554 572 HH TYR 66 HH TYR 66 17.922 -2.448 2.434 573 H PHE 67 H PHE 67 17.041 -8.185 9.019 574 HA PHE 67 HA PHE 67 18.907 -6.165 9.905 575 HB2 PHE 67 1HB PHE 67 16.719 -6.720 10.963 576 HB3 PHE 67 2HB PHE 67 17.407 -8.237 11.546 577 HD1 PHE 67 HD2 PHE 67 19.230 -8.195 13.281 578 HD2 PHE 67 HD1 PHE 67 17.146 -4.640 12.055 579 HE1 PHE 67 HE2 PHE 67 20.039 -7.020 15.321 580 HE2 PHE 67 HE1 PHE 67 17.920 -3.467 14.099 581 HZ PHE 67 HZ PHE 67 19.385 -4.649 15.737 582 H ASN 68 H ASN 68 19.048 -9.763 9.950 583 HA ASN 68 HA ASN 68 21.470 -9.697 11.582 584 HB2 ASN 68 1HB ASN 68 21.097 -11.880 11.820 585 HB3 ASN 68 2HB ASN 68 19.596 -11.650 10.927 586 HD21 ASN 68 2HD2 ASN 68 19.436 -12.428 8.844 587 HD22 ASN 68 1HD2 ASN 68 20.659 -13.437 8.121 588 H THR 69 H THR 69 20.693 -9.884 8.149 589 HA THR 69 HA THR 69 23.359 -10.421 7.242 590 HB THR 69 HB THR 69 21.073 -9.004 5.772 591 HG1 THR 69 HG1 THR 69 20.383 -11.029 6.439 592 HG21 THR 69 1HG2 THR 69 23.173 -8.772 4.546 593 HG22 THR 69 2HG2 THR 69 22.160 -9.995 3.750 594 HG23 THR 69 3HG2 THR 69 23.525 -10.503 4.766 595 H PHE 70 H PHE 70 21.578 -7.336 7.739 596 HA PHE 70 HA PHE 70 24.117 -5.919 7.014 597 HB2 PHE 70 1HB PHE 70 21.594 -5.881 5.796 598 HB3 PHE 70 2HB PHE 70 21.722 -4.356 6.666 599 HD1 PHE 70 HD2 PHE 70 23.956 -2.992 6.307 600 HD2 PHE 70 HD1 PHE 70 22.582 -6.123 3.695 601 HE1 PHE 70 HE2 PHE 70 25.385 -2.084 4.491 602 HE2 PHE 70 HE1 PHE 70 24.012 -5.223 1.860 603 HZ PHE 70 HZ PHE 70 25.419 -3.197 2.255 604 H GLY 71 H GLY 71 22.268 -6.495 9.715 605 HA2 GLY 71 1HA GLY 71 22.498 -5.476 11.773 606 HA3 GLY 71 2HA GLY 71 23.488 -4.219 11.027 607 HA PRO 72 HA PRO 72 19.323 -2.554 12.291 608 HB2 PRO 72 1HB PRO 72 20.150 -0.621 14.017 609 HB3 PRO 72 2HB PRO 72 20.021 -2.338 14.510 610 HG2 PRO 72 1HG PRO 72 22.448 -0.836 13.565 611 HG3 PRO 72 2HG PRO 72 22.238 -1.811 15.056 612 HD2 PRO 72 1HD PRO 72 23.376 -2.859 12.847 613 HD3 PRO 72 2HD PRO 72 22.267 -3.840 13.870 614 H GLU 73 H GLU 73 22.060 -1.359 10.643 615 HA GLU 73 HA GLU 73 21.087 1.346 10.272 616 HB2 GLU 73 1HB GLU 73 22.882 1.520 8.615 617 HB3 GLU 73 2HB GLU 73 23.461 0.918 10.170 618 HG2 GLU 73 1HG GLU 73 23.759 -1.263 9.357 619 HG3 GLU 73 2HG GLU 73 22.739 -0.967 7.941 620 H LYS 74 H LYS 74 20.080 -1.557 9.083 621 HA LYS 74 HA LYS 74 18.939 -0.219 6.662 622 HB2 LYS 74 1HB LYS 74 19.776 -3.046 7.196 623 HB3 LYS 74 2HB LYS 74 18.722 -2.621 5.829 624 HG2 LYS 74 1HG LYS 74 21.552 -1.626 6.313 625 HG3 LYS 74 2HG LYS 74 21.062 -2.834 5.126 626 HD2 LYS 74 1HD LYS 74 19.707 -1.137 3.953 627 HD3 LYS 74 2HD LYS 74 20.253 0.093 5.109 628 HE2 LYS 74 1HE LYS 74 22.144 -1.571 3.415 629 HE3 LYS 74 2HE LYS 74 21.532 0.029 2.937 630 HZ1 LYS 74 3HZ LYS 74 23.637 0.291 4.019 631 HZ2 LYS 74 1HZ LYS 74 23.178 -0.578 5.335 632 HZ3 LYS 74 2HZ LYS 74 22.488 0.888 5.039 633 H VAL 75 H VAL 75 18.208 -2.410 9.399 634 HA VAL 75 HA VAL 75 15.363 -1.602 8.914 635 HB VAL 75 HB VAL 75 16.362 -4.237 10.111 636 HG11 VAL 75 1HG1 VAL 75 13.984 -4.891 10.150 637 HG12 VAL 75 2HG1 VAL 75 14.274 -3.482 11.177 638 HG13 VAL 75 3HG1 VAL 75 13.519 -3.274 9.577 639 HG21 VAL 75 3HG2 VAL 75 16.645 -4.288 7.706 640 HG22 VAL 75 1HG2 VAL 75 15.240 -5.279 8.135 641 HG23 VAL 75 2HG2 VAL 75 15.003 -3.652 7.452 642 HA PRO 76 HA PRO 76 16.335 -0.141 13.017 643 HB2 PRO 76 1HB PRO 76 14.091 1.232 13.629 644 HB3 PRO 76 2HB PRO 76 15.216 1.811 12.374 645 HG2 PRO 76 1HG PRO 76 12.652 0.309 12.050 646 HG3 PRO 76 2HG PRO 76 13.220 1.764 11.185 647 HD2 PRO 76 1HD PRO 76 13.443 -0.796 10.184 648 HD3 PRO 76 2HD PRO 76 14.581 0.532 9.770 649 H VAL 77 H VAL 77 15.711 -0.623 15.238 650 HA VAL 77 HA VAL 77 14.351 -3.109 15.561 651 HB VAL 77 HB VAL 77 14.472 -2.644 18.003 652 HG11 VAL 77 1HG1 VAL 77 17.055 -2.032 16.491 653 HG12 VAL 77 2HG1 VAL 77 16.920 -2.679 18.141 654 HG13 VAL 77 3HG1 VAL 77 16.377 -3.655 16.761 655 HG21 VAL 77 3HG2 VAL 77 14.132 -0.184 17.944 656 HG22 VAL 77 1HG2 VAL 77 15.618 -0.619 18.807 657 HG23 VAL 77 2HG2 VAL 77 15.717 0.014 17.152 658 H THR 78 H THR 78 13.145 0.184 15.433 659 HA THR 78 HA THR 78 10.659 -0.421 16.775 660 HB THR 78 HB THR 78 11.558 1.921 16.434 661 HG1 THR 78 HG1 THR 78 9.506 2.737 16.396 662 HG21 THR 78 1HG2 THR 78 12.044 1.764 14.007 663 HG22 THR 78 2HG2 THR 78 11.004 3.131 14.432 664 HG23 THR 78 3HG2 THR 78 10.295 1.675 13.710 665 H ALA 79 H ALA 79 11.867 -1.070 13.545 666 HA ALA 79 HA ALA 79 9.281 -1.164 12.288 667 HB1 ALA 79 3HB ALA 79 11.319 -1.132 10.977 668 HB2 ALA 79 1HB ALA 79 11.842 -2.677 11.686 669 HB3 ALA 79 2HB ALA 79 10.412 -2.619 10.627 670 H PHE 80 H PHE 80 11.183 -3.493 14.203 671 HA PHE 80 HA PHE 80 9.328 -5.675 13.819 672 HB2 PHE 80 1HB PHE 80 11.297 -5.155 16.074 673 HB3 PHE 80 2HB PHE 80 10.489 -6.690 15.736 674 HD1 PHE 80 HD2 PHE 80 11.130 -8.056 13.790 675 HD2 PHE 80 HD1 PHE 80 13.132 -4.371 14.704 676 HE1 PHE 80 HE2 PHE 80 12.987 -8.694 12.278 677 HE2 PHE 80 HE1 PHE 80 15.004 -4.986 13.209 678 HZ PHE 80 HZ PHE 80 14.923 -7.157 11.963 679 H SER 81 H SER 81 9.580 -2.959 16.044 680 HA SER 81 HA SER 81 7.728 -3.993 18.012 681 HB2 SER 81 1HB SER 81 9.355 -2.170 18.494 682 HB3 SER 81 2HB SER 81 8.475 -1.107 17.378 683 HG SER 81 HG SER 81 7.515 -2.260 19.791 684 H TYR 82 H TYR 82 7.461 -1.698 15.278 685 HA TYR 82 HA TYR 82 4.635 -1.308 15.439 686 HB2 TYR 82 1HB TYR 82 6.782 -0.995 13.373 687 HB3 TYR 82 2HB TYR 82 5.118 -1.098 12.792 688 HD1 TYR 82 HD1 TYR 82 7.489 0.960 14.829 689 HD2 TYR 82 HD2 TYR 82 3.498 0.633 13.207 690 HE1 TYR 82 HE1 TYR 82 7.085 3.367 15.316 691 HE2 TYR 82 HE2 TYR 82 3.122 3.063 13.690 692 HH TYR 82 HH TYR 82 4.030 5.010 14.462 693 H TRP 83 H TRP 83 6.664 -3.682 13.688 694 HA TRP 83 HA TRP 83 4.582 -4.952 12.281 695 HB2 TRP 83 1HB TRP 83 6.953 -5.314 11.809 696 HB3 TRP 83 2HB TRP 83 7.199 -5.997 13.406 697 HD1 TRP 83 HD1 TRP 83 5.554 -6.930 10.063 698 HE1 TRP 83 HE1 TRP 83 5.231 -9.454 9.946 699 HE3 TRP 83 HE3 TRP 83 7.059 -8.047 14.819 700 HZ2 TRP 83 HZ2 TRP 83 5.561 -11.645 11.699 701 HZ3 TRP 83 HZ3 TRP 83 7.057 -10.436 15.546 702 HH2 TRP 83 HH2 TRP 83 6.306 -12.228 13.977 703 H ASN 84 H ASN 84 5.836 -5.566 15.569 704 HA ASN 84 HA ASN 84 4.367 -7.964 16.054 705 HB2 ASN 84 1HB ASN 84 5.787 -5.926 17.706 706 HB3 ASN 84 2HB ASN 84 4.573 -6.908 18.536 707 HD21 ASN 84 2HD2 ASN 84 7.741 -6.813 17.268 708 HD22 ASN 84 1HD2 ASN 84 8.164 -8.472 17.633 709 H LEU 85 H LEU 85 3.483 -4.557 16.222 710 HA LEU 85 HA LEU 85 1.175 -4.833 17.885 711 HB2 LEU 85 1HB LEU 85 2.499 -2.769 17.192 712 HB3 LEU 85 2HB LEU 85 1.651 -2.817 15.662 713 HG LEU 85 HG LEU 85 0.234 -2.504 18.299 714 HD11 LEU 85 1HD1 LEU 85 1.351 -0.381 16.418 715 HD12 LEU 85 2HD1 LEU 85 1.911 -0.732 18.071 716 HD13 LEU 85 3HD1 LEU 85 0.292 -0.056 17.807 717 HD21 LEU 85 3HD2 LEU 85 -0.570 -1.880 15.435 718 HD22 LEU 85 1HD2 LEU 85 -1.484 -1.360 16.870 719 HD23 LEU 85 2HD2 LEU 85 -1.298 -3.086 16.522 720 H ILE 86 H ILE 86 1.646 -4.916 14.339 721 HA ILE 86 HA ILE 86 -1.176 -5.382 13.859 722 HB ILE 86 HB ILE 86 1.171 -5.818 11.988 723 HG12 ILE 86 1HG1 ILE 86 -0.430 -3.569 11.279 724 HG13 ILE 86 2HG1 ILE 86 -0.096 -3.417 13.004 725 HG21 ILE 86 1HG2 ILE 86 -0.621 -5.578 10.218 726 HG22 ILE 86 2HG2 ILE 86 -0.772 -7.044 11.201 727 HG23 ILE 86 3HG2 ILE 86 -1.843 -5.664 11.521 728 HD11 ILE 86 3HD1 ILE 86 2.340 -3.858 12.419 729 HD12 ILE 86 1HD1 ILE 86 1.867 -3.594 10.724 730 HD13 ILE 86 2HD1 ILE 86 1.660 -2.293 11.924 731 H LYS 87 H LYS 87 1.686 -7.388 14.424 732 HA LYS 87 HA LYS 87 0.610 -9.843 13.458 733 HB2 LYS 87 1HB LYS 87 2.748 -10.328 13.937 734 HB3 LYS 87 2HB LYS 87 2.880 -8.969 15.038 735 HG2 LYS 87 1HG LYS 87 1.910 -10.353 16.859 736 HG3 LYS 87 2HG LYS 87 1.857 -11.738 15.752 737 HD2 LYS 87 1HD LYS 87 4.265 -11.707 15.547 738 HD3 LYS 87 2HD LYS 87 4.350 -10.175 16.429 739 HE2 LYS 87 1HE LYS 87 3.310 -11.330 18.413 740 HE3 LYS 87 2HE LYS 87 3.493 -12.870 17.542 741 HZ1 LYS 87 3HZ LYS 87 5.886 -12.446 17.469 742 HZ2 LYS 87 1HZ LYS 87 5.359 -12.427 19.033 743 HZ3 LYS 87 2HZ LYS 87 5.694 -11.007 18.258 744 H GLU 88 H GLU 88 0.364 -8.334 16.742 745 HA GLU 88 HA GLU 88 -1.253 -10.571 17.647 746 HB2 GLU 88 1HB GLU 88 -1.641 -9.233 19.654 747 HB3 GLU 88 2HB GLU 88 0.069 -9.311 19.221 748 HG2 GLU 88 1HG GLU 88 -0.151 -7.066 18.176 749 HG3 GLU 88 2HG GLU 88 -1.796 -6.972 18.816 750 H LEU 89 H LEU 89 -1.940 -7.522 16.006 751 HA LEU 89 HA LEU 89 -4.756 -7.530 16.557 752 HB2 LEU 89 1HB LEU 89 -3.045 -6.297 14.432 753 HB3 LEU 89 2HB LEU 89 -4.789 -6.281 14.276 754 HG LEU 89 HG LEU 89 -3.292 -5.094 16.631 755 HD11 LEU 89 1HD1 LEU 89 -2.771 -3.908 14.540 756 HD12 LEU 89 2HD1 LEU 89 -3.807 -2.917 15.583 757 HD13 LEU 89 3HD1 LEU 89 -4.505 -3.752 14.179 758 HD21 LEU 89 3HD2 LEU 89 -5.464 -3.932 17.058 759 HD22 LEU 89 1HD2 LEU 89 -5.593 -5.691 17.225 760 HD23 LEU 89 2HD2 LEU 89 -6.210 -4.893 15.761 761 H ILE 90 H ILE 90 -2.813 -9.041 13.945 762 HA ILE 90 HA ILE 90 -5.222 -10.067 12.645 763 HB ILE 90 HB ILE 90 -2.319 -10.983 12.309 764 HG12 ILE 90 1HG1 ILE 90 -3.939 -9.209 10.447 765 HG13 ILE 90 2HG1 ILE 90 -2.874 -8.551 11.688 766 HG21 ILE 90 1HG2 ILE 90 -4.810 -11.479 10.574 767 HG22 ILE 90 2HG2 ILE 90 -3.158 -11.978 10.152 768 HG23 ILE 90 3HG2 ILE 90 -3.968 -12.703 11.547 769 HD11 ILE 90 3HD1 ILE 90 -1.712 -8.591 9.525 770 HD12 ILE 90 1HD1 ILE 90 -0.929 -9.718 10.655 771 HD13 ILE 90 2HD1 ILE 90 -1.990 -10.338 9.367 772 H ASP 91 H ASP 91 -2.756 -11.367 14.929 773 HA ASP 91 HA ASP 91 -3.702 -14.061 14.875 774 HB2 ASP 91 1HB ASP 91 -1.545 -13.140 15.899 775 HB3 ASP 91 2HB ASP 91 -2.516 -12.659 17.297 776 H LYS 92 H LYS 92 -4.720 -11.199 16.713 777 HA LYS 92 HA LYS 92 -6.978 -12.812 17.793 778 HB2 LYS 92 1HB LYS 92 -5.707 -10.305 18.916 779 HB3 LYS 92 2HB LYS 92 -7.123 -11.116 19.591 780 HG2 LYS 92 1HG LYS 92 -4.357 -12.366 19.325 781 HG3 LYS 92 2HG LYS 92 -5.064 -11.737 20.825 782 HD2 LYS 92 1HD LYS 92 -6.855 -13.414 20.733 783 HD3 LYS 92 2HD LYS 92 -6.295 -13.971 19.157 784 HE2 LYS 92 1HE LYS 92 -4.045 -14.425 20.409 785 HE3 LYS 92 2HE LYS 92 -5.144 -14.523 21.822 786 HZ1 LYS 92 3HZ LYS 92 -5.170 -16.657 20.806 787 HZ2 LYS 92 1HZ LYS 92 -5.282 -16.040 19.279 788 HZ3 LYS 92 2HZ LYS 92 -6.582 -15.951 20.295 789 H LYS 93 H LYS 93 -7.009 -11.877 15.166 790 HA LYS 93 HA LYS 93 -8.742 -9.604 14.889 791 HB2 LYS 93 1HB LYS 93 -9.256 -10.538 12.706 792 HB3 LYS 93 2HB LYS 93 -7.531 -10.713 13.032 793 HG2 LYS 93 1HG LYS 93 -8.069 -13.117 13.805 794 HG3 LYS 93 2HG LYS 93 -9.660 -12.891 13.067 795 HD2 LYS 93 1HD LYS 93 -7.028 -12.499 11.591 796 HD3 LYS 93 2HD LYS 93 -7.896 -14.041 11.630 797 HE2 LYS 93 1HE LYS 93 -9.119 -11.450 10.648 798 HE3 LYS 93 2HE LYS 93 -8.290 -12.610 9.594 799 HZ1 LYS 93 3HZ LYS 93 -10.658 -13.255 11.251 800 HZ2 LYS 93 1HZ LYS 93 -9.908 -14.273 10.190 801 HZ3 LYS 93 2HZ LYS 93 -10.700 -12.935 9.633 802 H GLU 94 H GLU 94 -9.167 -12.792 16.110 803 HA GLU 94 HA GLU 94 -11.929 -13.243 15.682 804 HB2 GLU 94 1HB GLU 94 -11.630 -14.740 17.746 805 HB3 GLU 94 2HB GLU 94 -10.615 -15.071 16.337 806 HG2 GLU 94 1HG GLU 94 -8.714 -13.894 17.404 807 HG3 GLU 94 2HG GLU 94 -9.709 -13.549 18.822 808 H VAL 95 H VAL 95 -10.282 -11.301 18.166 809 HA VAL 95 HA VAL 95 -12.975 -10.722 19.351 810 HB VAL 95 HB VAL 95 -11.740 -10.057 21.416 811 HG11 VAL 95 1HG1 VAL 95 -11.237 -12.324 22.184 812 HG12 VAL 95 2HG1 VAL 95 -12.677 -12.350 21.147 813 HG13 VAL 95 3HG1 VAL 95 -11.114 -12.903 20.509 814 HG21 VAL 95 3HG2 VAL 95 -9.380 -10.640 21.705 815 HG22 VAL 95 1HG2 VAL 95 -9.290 -11.260 20.043 816 HG23 VAL 95 2HG2 VAL 95 -9.545 -9.522 20.339 817 H ASN 96 H ASN 96 -11.086 -9.555 17.089 818 HA ASN 96 HA ASN 96 -11.534 -6.709 17.917 819 HB2 ASN 96 1HB ASN 96 -9.163 -8.000 16.587 820 HB3 ASN 96 2HB ASN 96 -9.579 -6.324 16.211 821 HD21 ASN 96 2HD2 ASN 96 -8.135 -8.425 18.478 822 HD22 ASN 96 1HD2 ASN 96 -7.745 -7.188 19.657 823 HA PRO 97 HA PRO 97 -13.794 -7.722 14.042 824 HB2 PRO 97 1HB PRO 97 -16.035 -6.212 14.495 825 HB3 PRO 97 2HB PRO 97 -15.838 -7.878 15.131 826 HG2 PRO 97 1HG PRO 97 -15.306 -5.261 16.528 827 HG3 PRO 97 2HG PRO 97 -16.295 -6.653 17.081 828 HD2 PRO 97 1HD PRO 97 -13.757 -6.352 17.911 829 HD3 PRO 97 2HD PRO 97 -14.392 -7.982 17.495 830 H GLN 98 H GLN 98 -12.807 -4.797 15.664 831 HA GLN 98 HA GLN 98 -13.393 -2.916 13.594 832 HB2 GLN 98 1HB GLN 98 -11.408 -1.653 14.655 833 HB3 GLN 98 2HB GLN 98 -12.838 -1.922 15.651 834 HG2 GLN 98 1HG GLN 98 -11.750 -3.635 16.948 835 HG3 GLN 98 2HG GLN 98 -10.402 -3.742 15.814 836 HE21 GLN 98 2HE2 GLN 98 -9.538 -3.527 18.220 837 HE22 GLN 98 1HE2 GLN 98 -9.030 -1.893 18.602 838 H VAL 99 H VAL 99 -10.572 -4.992 14.317 839 HA VAL 99 HA VAL 99 -9.230 -3.980 11.951 840 HB VAL 99 HB VAL 99 -8.137 -4.678 14.223 841 HG11 VAL 99 1HG1 VAL 99 -9.082 -7.043 14.086 842 HG12 VAL 99 2HG1 VAL 99 -7.938 -7.347 12.769 843 HG13 VAL 99 3HG1 VAL 99 -7.340 -6.931 14.390 844 HG21 VAL 99 3HG2 VAL 99 -6.923 -5.439 11.545 845 HG22 VAL 99 1HG2 VAL 99 -6.941 -3.813 12.265 846 HG23 VAL 99 2HG2 VAL 99 -6.028 -5.117 13.041 847 H MET 100 H MET 100 -11.241 -6.720 12.793 848 HA MET 100 HA MET 100 -10.332 -8.542 10.824 849 HB2 MET 100 1HB MET 100 -12.191 -8.541 12.777 850 HB3 MET 100 2HB MET 100 -13.244 -8.392 11.388 851 HG2 MET 100 1HG MET 100 -11.290 -10.605 12.040 852 HG3 MET 100 2HG MET 100 -13.047 -10.716 11.971 853 HE1 MET 100 3HE MET 100 -13.770 -10.738 8.109 854 HE2 MET 100 1HE MET 100 -14.460 -10.921 9.740 855 HE3 MET 100 2HE MET 100 -13.872 -9.332 9.189 856 H ALA 101 H ALA 101 -12.702 -5.857 10.624 857 HA ALA 101 HA ALA 101 -13.434 -6.396 7.895 858 HB1 ALA 101 3HB ALA 101 -13.464 -3.828 9.511 859 HB2 ALA 101 1HB ALA 101 -14.251 -4.051 7.931 860 HB3 ALA 101 2HB ALA 101 -14.799 -4.988 9.341 861 H ALA 102 H ALA 102 -10.649 -4.813 9.384 862 HA ALA 102 HA ALA 102 -9.795 -3.510 6.916 863 HB1 ALA 102 3HB ALA 102 -9.235 -2.591 9.177 864 HB2 ALA 102 1HB ALA 102 -8.241 -4.034 9.494 865 HB3 ALA 102 2HB ALA 102 -7.791 -2.917 8.196 866 H VAL 103 H VAL 103 -9.283 -6.604 8.584 867 HA VAL 103 HA VAL 103 -7.017 -7.519 7.047 868 HB VAL 103 HB VAL 103 -9.357 -9.050 8.327 869 HG11 VAL 103 1HG1 VAL 103 -8.245 -10.359 6.478 870 HG12 VAL 103 2HG1 VAL 103 -6.750 -10.277 7.430 871 HG13 VAL 103 3HG1 VAL 103 -8.172 -11.096 8.078 872 HG21 VAL 103 3HG2 VAL 103 -7.908 -7.822 9.921 873 HG22 VAL 103 1HG2 VAL 103 -7.784 -9.573 10.128 874 HG23 VAL 103 2HG2 VAL 103 -6.495 -8.683 9.286 875 H ALA 104 H ALA 104 -10.571 -7.855 6.620 876 HA ALA 104 HA ALA 104 -10.402 -9.215 4.123 877 HB1 ALA 104 3HB ALA 104 -12.624 -7.439 5.240 878 HB2 ALA 104 1HB ALA 104 -12.790 -8.578 3.885 879 HB3 ALA 104 2HB ALA 104 -12.440 -9.189 5.520 880 H GLN 105 H GLN 105 -10.813 -5.717 4.883 881 HA GLN 105 HA GLN 105 -11.006 -4.912 2.165 882 HB2 GLN 105 1HB GLN 105 -10.260 -3.513 4.713 883 HB3 GLN 105 2HB GLN 105 -10.045 -2.713 3.149 884 HG2 GLN 105 1HG GLN 105 -12.455 -3.289 2.643 885 HG3 GLN 105 2HG GLN 105 -12.615 -3.723 4.354 886 HE21 GLN 105 2HE2 GLN 105 -13.416 -2.136 5.544 887 HE22 GLN 105 1HE2 GLN 105 -13.135 -0.425 5.290 888 H THR 106 H THR 106 -8.080 -5.433 4.188 889 HA THR 106 HA THR 106 -6.346 -4.141 2.297 890 HB THR 106 HB THR 106 -5.605 -6.490 4.074 891 HG1 THR 106 HG1 THR 106 -6.483 -4.834 5.332 892 HG21 THR 106 1HG2 THR 106 -3.909 -5.918 2.386 893 HG22 THR 106 2HG2 THR 106 -3.367 -5.412 3.992 894 HG23 THR 106 3HG2 THR 106 -4.001 -4.206 2.859 895 H GLU 107 H GLU 107 -7.582 -7.519 2.608 896 HA GLU 107 HA GLU 107 -6.156 -8.501 0.328 897 HB2 GLU 107 1HB GLU 107 -8.842 -9.340 1.460 898 HB3 GLU 107 2HB GLU 107 -7.985 -10.169 0.167 899 HG2 GLU 107 1HG GLU 107 -6.049 -10.440 1.722 900 HG3 GLU 107 2HG GLU 107 -7.083 -9.825 3.017 901 H GLU 108 H GLU 108 -9.344 -6.825 0.556 902 HA GLU 108 HA GLU 108 -10.091 -7.177 -2.183 903 HB2 GLU 108 1HB GLU 108 -10.581 -4.840 -0.294 904 HB3 GLU 108 2HB GLU 108 -11.350 -5.005 -1.865 905 HG2 GLU 108 1HG GLU 108 -12.605 -6.905 -1.153 906 HG3 GLU 108 2HG GLU 108 -11.655 -7.060 0.331 907 H ILE 109 H ILE 109 -8.179 -4.658 -0.555 908 HA ILE 109 HA ILE 109 -7.756 -3.049 -2.901 909 HB ILE 109 HB ILE 109 -6.257 -3.243 -0.239 910 HG12 ILE 109 1HG1 ILE 109 -8.152 -1.058 -1.165 911 HG13 ILE 109 2HG1 ILE 109 -8.759 -2.514 -0.392 912 HG21 ILE 109 1HG2 ILE 109 -6.032 -1.123 -2.436 913 HG22 ILE 109 2HG2 ILE 109 -5.369 -0.956 -0.794 914 HG23 ILE 109 3HG2 ILE 109 -4.746 -2.213 -1.874 915 HD11 ILE 109 3HD1 ILE 109 -8.610 -0.990 1.376 916 HD12 ILE 109 1HD1 ILE 109 -7.137 -1.961 1.557 917 HD13 ILE 109 2HD1 ILE 109 -7.054 -0.340 0.821 918 H LEU 110 H LEU 110 -5.859 -5.656 -1.333 919 HA LEU 110 HA LEU 110 -3.585 -5.438 -3.073 920 HB2 LEU 110 1HB LEU 110 -4.716 -7.417 -1.163 921 HB3 LEU 110 2HB LEU 110 -3.620 -8.059 -2.372 922 HG LEU 110 HG LEU 110 -1.788 -6.896 -1.552 923 HD11 LEU 110 1HD1 LEU 110 -2.604 -4.632 -1.255 924 HD12 LEU 110 2HD1 LEU 110 -1.848 -5.176 0.250 925 HD13 LEU 110 3HD1 LEU 110 -3.616 -5.135 0.113 926 HD21 LEU 110 3HD2 LEU 110 -2.488 -8.768 -0.149 927 HD22 LEU 110 1HD2 LEU 110 -3.514 -7.687 0.824 928 HD23 LEU 110 2HD2 LEU 110 -1.744 -7.508 0.853 929 H LYS 111 H LYS 111 -6.612 -7.317 -3.306 930 HA LYS 111 HA LYS 111 -5.772 -8.800 -5.647 931 HB2 LYS 111 1HB LYS 111 -8.432 -8.293 -4.364 932 HB3 LYS 111 2HB LYS 111 -8.233 -9.299 -5.813 933 HG2 LYS 111 1HG LYS 111 -6.876 -10.884 -4.665 934 HG3 LYS 111 2HG LYS 111 -6.617 -9.782 -3.301 935 HD2 LYS 111 1HD LYS 111 -9.062 -9.854 -2.879 936 HD3 LYS 111 2HD LYS 111 -9.164 -11.173 -4.064 937 HE2 LYS 111 1HE LYS 111 -7.640 -12.538 -2.730 938 HE3 LYS 111 2HE LYS 111 -7.303 -11.167 -1.667 939 HZ1 LYS 111 3HZ LYS 111 -9.705 -11.264 -1.038 940 HZ2 LYS 111 1HZ LYS 111 -8.778 -12.508 -0.496 941 HZ3 LYS 111 2HZ LYS 111 -9.791 -12.730 -1.789 942 H SER 112 H SER 112 -7.062 -5.612 -5.154 943 HA SER 112 HA SER 112 -7.901 -5.277 -7.958 944 HB2 SER 112 1HB SER 112 -8.935 -4.068 -5.992 945 HB3 SER 112 2HB SER 112 -7.416 -3.176 -5.807 946 HG SER 112 HG SER 112 -7.742 -2.604 -8.108 947 H ASN 113 H ASN 113 -5.045 -5.213 -6.120 948 HA ASN 113 HA ASN 113 -3.591 -3.467 -8.060 949 HB2 ASN 113 1HB ASN 113 -3.277 -4.186 -5.164 950 HB3 ASN 113 2HB ASN 113 -1.799 -3.909 -6.074 951 HD21 ASN 113 2HD2 ASN 113 -4.409 -2.456 -4.475 952 HD22 ASN 113 1HD2 ASN 113 -3.972 -0.795 -4.844 953 H SER 114 H SER 114 -1.043 -4.569 -7.584 954 HA SER 114 HA SER 114 0.401 -6.051 -8.383 955 HB2 SER 114 1HB SER 114 0.281 -8.180 -7.529 956 HB3 SER 114 2HB SER 114 -0.663 -7.218 -6.398 957 HG SER 114 HG SER 114 -2.544 -7.925 -7.677 958 H GLN 115 H GLN 115 -2.318 -5.673 -10.127 959 HA GLN 115 HA GLN 115 -2.051 -7.822 -12.037 960 HB2 GLN 115 1HB GLN 115 -3.634 -6.460 -13.370 961 HB3 GLN 115 2HB GLN 115 -4.174 -6.705 -11.708 962 HG2 GLN 115 1HG GLN 115 -3.495 -4.432 -11.100 963 HG3 GLN 115 2HG GLN 115 -2.831 -4.170 -12.722 964 HE21 GLN 115 2HE2 GLN 115 -5.587 -3.921 -10.732 965 HE22 GLN 115 1HE2 GLN 115 -6.729 -3.530 -11.997 966 H THR 116 H THR 116 0.141 -5.471 -11.436 967 HA THR 116 HA THR 116 0.728 -4.886 -14.293 968 HB THR 116 HB THR 116 2.391 -3.258 -13.310 969 HG1 THR 116 HG1 THR 116 2.478 -4.466 -11.269 970 HG21 THR 116 1HG2 THR 116 0.753 -1.620 -12.562 971 HG22 THR 116 2HG2 THR 116 -0.439 -2.897 -12.242 972 HG23 THR 116 3HG2 THR 116 0.068 -2.550 -13.913 973 H ASP 117 H ASP 117 2.170 -6.159 -15.286 974 HA ASP 117 HA ASP 117 4.025 -7.810 -13.717 975 HB2 ASP 117 1HB ASP 117 2.954 -8.637 -15.837 976 HB3 ASP 117 2HB ASP 117 3.870 -7.407 -16.726 977 H LEU 118 H LEU 118 6.098 -7.312 -13.297 978 HA LEU 118 HA LEU 118 7.551 -5.319 -14.830 979 HB2 LEU 118 1HB LEU 118 7.967 -3.928 -12.769 980 HB3 LEU 118 2HB LEU 118 6.397 -3.763 -13.517 981 HG LEU 118 HG LEU 118 5.584 -5.411 -11.652 982 HD11 LEU 118 1HD1 LEU 118 7.770 -5.969 -10.690 983 HD12 LEU 118 2HD1 LEU 118 6.790 -5.081 -9.512 984 HD13 LEU 118 3HD1 LEU 118 8.102 -4.250 -10.384 985 HD21 LEU 118 3HD2 LEU 118 4.881 -3.085 -11.944 986 HD22 LEU 118 1HD2 LEU 118 6.345 -2.517 -11.105 987 HD23 LEU 118 2HD2 LEU 118 5.116 -3.462 -10.228 988 H GLU 119 H GLU 119 9.797 -5.190 -14.101 989 HA GLU 119 HA GLU 119 10.721 -7.791 -13.171 990 HB2 GLU 119 1HB GLU 119 11.728 -5.735 -14.792 991 HB3 GLU 119 2HB GLU 119 12.795 -5.728 -13.393 992 HG2 GLU 119 1HG GLU 119 12.155 -8.377 -14.659 993 HG3 GLU 119 2HG GLU 119 13.224 -7.273 -15.536 994 H HIS 120 H HIS 120 9.807 -7.840 -11.090 995 HA HIS 120 HA HIS 120 10.519 -5.919 -9.016 996 HB2 HIS 120 1HB HIS 120 9.715 -7.985 -7.555 997 HB3 HIS 120 2HB HIS 120 8.562 -7.009 -8.468 998 HD1 HIS 120 HD1 HIS 120 10.406 -10.358 -8.692 999 HD2 HIS 120 HD2 HIS 120 7.130 -8.376 -10.409 1000 HE1 HIS 120 HE1 HIS 120 9.168 -12.067 -10.141 1001 H HIS 121 H HIS 121 12.780 -5.823 -9.433 1002 HA HIS 121 HA HIS 121 14.394 -8.077 -8.299 1003 HB2 HIS 121 1HB HIS 121 13.985 -8.115 -10.824 1004 HB3 HIS 121 2HB HIS 121 14.872 -6.603 -10.919 1005 HD1 HIS 121 HD1 HIS 121 15.531 -9.552 -12.152 1006 HD2 HIS 121 HD2 HIS 121 17.470 -7.597 -8.973 1007 HE1 HIS 121 HE1 HIS 121 17.873 -10.580 -11.939 1008 H HIS 122 H HIS 122 16.095 -7.310 -7.075 1009 HA HIS 122 HA HIS 122 16.259 -4.515 -6.463 1010 HB2 HIS 122 1HB HIS 122 18.109 -6.862 -5.902 1011 HB3 HIS 122 2HB HIS 122 18.439 -5.222 -5.332 1012 HD1 HIS 122 HD1 HIS 122 16.795 -4.164 -3.517 1013 HD2 HIS 122 HD2 HIS 122 16.175 -8.242 -4.377 1014 HE1 HIS 122 HE1 HIS 122 15.277 -5.102 -1.694 1015 H HIS 123 H HIS 123 17.465 -2.914 -7.218 1016 HA HIS 123 HA HIS 123 19.723 -3.366 -9.103 1017 HB2 HIS 123 1HB HIS 123 17.167 -1.856 -9.831 1018 HB3 HIS 123 2HB HIS 123 18.712 -1.590 -10.644 1019 HD1 HIS 123 HD1 HIS 123 15.777 -3.922 -10.555 1020 HD2 HIS 123 HD2 HIS 123 19.609 -3.789 -12.266 1021 HE1 HIS 123 HE1 HIS 123 15.830 -5.660 -12.422 1022 H HIS 124 H HIS 124 21.035 -2.386 -7.509 1023 HA HIS 124 HA HIS 124 21.962 -0.747 -6.205 1024 HB2 HIS 124 1HB HIS 124 21.728 0.375 -8.592 1025 HB3 HIS 124 2HB HIS 124 20.570 1.420 -7.763 1026 HD1 HIS 124 HD1 HIS 124 21.682 2.476 -5.351 1027 HD2 HIS 124 HD2 HIS 124 24.264 1.367 -8.469 1028 HE1 HIS 124 HE1 HIS 124 23.897 3.702 -4.966 1029 H HIS 125 H HIS 125 19.097 -1.690 -5.763 1030 HA HIS 125 HA HIS 125 18.545 -0.280 -3.301 1031 HB2 HIS 125 1HB HIS 125 17.294 1.304 -4.695 1032 HB3 HIS 125 2HB HIS 125 16.737 0.002 -5.754 1033 HD1 HIS 125 HD1 HIS 125 14.242 0.881 -5.280 1034 HD2 HIS 125 HD2 HIS 125 16.249 -0.748 -1.981 1035 HE1 HIS 125 HE1 HIS 125 12.474 0.353 -3.507 Start of MODEL 17 1 H21 MYR 1 1H2 MYR 1 0.794 0.174 -1.192 2 H22 MYR 1 2H2 MYR 1 2.111 -0.132 -0.068 3 H31 MYR 1 1H3 MYR 1 -0.365 -1.875 -0.567 4 H32 MYR 1 2H3 MYR 1 1.322 -2.303 -0.831 5 H41 MYR 1 1H4 MYR 1 1.603 -1.974 1.781 6 H42 MYR 1 2H4 MYR 1 -0.158 -1.978 1.826 7 H51 MYR 1 1H5 MYR 1 0.132 -4.277 0.457 8 H52 MYR 1 2H5 MYR 1 1.755 -4.249 1.134 9 H61 MYR 1 1H6 MYR 1 -0.909 -4.281 2.661 10 H62 MYR 1 2H6 MYR 1 0.247 -5.594 2.545 11 H71 MYR 1 1H7 MYR 1 1.946 -4.048 3.773 12 H72 MYR 1 2H7 MYR 1 0.615 -2.950 4.079 13 H81 MYR 1 1H8 MYR 1 0.901 -5.820 5.117 14 H82 MYR 1 2H8 MYR 1 1.016 -4.337 6.051 15 H91 MYR 1 1H9 MYR 1 -1.498 -5.525 4.762 16 H92 MYR 1 2H9 MYR 1 -1.458 -3.873 5.375 17 H101 MYR 1 1H10 MYR 1 -0.863 -4.733 7.653 18 H102 MYR 1 2H10 MYR 1 -0.897 -6.391 7.043 19 H111 MYR 1 1H11 MYR 1 -3.318 -4.490 6.916 20 H112 MYR 1 2H11 MYR 1 -3.308 -6.205 6.506 21 H121 MYR 1 1H12 MYR 1 -2.629 -6.711 8.905 22 H122 MYR 1 2H12 MYR 1 -2.809 -5.007 9.292 23 H131 MYR 1 1H13 MYR 1 -5.093 -6.706 8.148 24 H132 MYR 1 2H13 MYR 1 -4.762 -6.595 9.869 25 H141 MYR 1 1H14 MYR 1 -5.579 -4.268 8.055 26 H142 MYR 1 2H14 MYR 1 -6.526 -5.011 9.352 27 H143 MYR 1 3H14 MYR 1 -5.078 -4.073 9.749 28 H GLY 2 H GLY 2 2.051 0.764 1.839 29 HA2 GLY 2 1HA GLY 2 -0.238 1.191 3.501 30 HA3 GLY 2 2HA GLY 2 1.383 1.872 3.739 31 H GLN 3 H GLN 3 1.648 3.322 1.334 32 HA GLN 3 HA GLN 3 0.248 5.729 2.040 33 HB2 GLN 3 1HB GLN 3 1.619 4.935 -0.555 34 HB3 GLN 3 2HB GLN 3 1.067 6.568 -0.155 35 HG2 GLN 3 1HG GLN 3 2.583 6.535 1.840 36 HG3 GLN 3 2HG GLN 3 3.212 4.980 1.284 37 HE21 GLN 3 2HE2 GLN 3 4.990 5.044 0.070 38 HE22 GLN 3 1HE2 GLN 3 5.507 6.439 -0.865 39 H GLU 4 H GLU 4 -0.445 3.148 -0.283 40 HA GLU 4 HA GLU 4 -2.648 4.475 -1.598 41 HB2 GLU 4 1HB GLU 4 -1.790 2.741 -2.845 42 HB3 GLU 4 2HB GLU 4 -1.438 1.755 -1.441 43 HG2 GLU 4 1HG GLU 4 -3.091 0.625 -2.708 44 HG3 GLU 4 2HG GLU 4 -3.864 1.206 -1.232 45 H LEU 5 H LEU 5 -2.355 2.259 1.203 46 HA LEU 5 HA LEU 5 -5.166 1.931 1.576 47 HB2 LEU 5 1HB LEU 5 -2.802 1.682 3.438 48 HB3 LEU 5 2HB LEU 5 -4.444 1.318 3.942 49 HG LEU 5 HG LEU 5 -3.068 -0.062 1.621 50 HD11 LEU 5 1HD1 LEU 5 -1.869 -0.480 3.728 51 HD12 LEU 5 2HD1 LEU 5 -2.690 -1.936 3.140 52 HD13 LEU 5 3HD1 LEU 5 -3.390 -1.009 4.490 53 HD21 LEU 5 3HD2 LEU 5 -4.830 -1.759 1.895 54 HD22 LEU 5 1HD2 LEU 5 -5.523 -0.173 1.529 55 HD23 LEU 5 2HD2 LEU 5 -5.570 -0.793 3.193 56 H SER 6 H SER 6 -2.912 4.414 2.875 57 HA SER 6 HA SER 6 -4.867 5.643 4.592 58 HB2 SER 6 1HB SER 6 -3.268 7.723 3.910 59 HB3 SER 6 2HB SER 6 -2.843 6.496 5.119 60 HG SER 6 HG SER 6 -2.131 6.415 2.358 61 H GLN 7 H GLN 7 -4.613 5.675 1.105 62 HA GLN 7 HA GLN 7 -6.155 8.201 0.905 63 HB2 GLN 7 1HB GLN 7 -5.138 6.241 -1.178 64 HB3 GLN 7 2HB GLN 7 -6.047 7.712 -1.549 65 HG2 GLN 7 1HG GLN 7 -4.291 9.095 -0.591 66 HG3 GLN 7 2HG GLN 7 -3.399 7.662 -0.076 67 HE21 GLN 7 2HE2 GLN 7 -1.957 6.786 -1.408 68 HE22 GLN 7 1HE2 GLN 7 -1.768 7.229 -3.094 69 H HIS 8 H HIS 8 -6.688 4.767 1.080 70 HA HIS 8 HA HIS 8 -9.341 4.901 -0.171 71 HB2 HIS 8 1HB HIS 8 -7.497 2.843 0.716 72 HB3 HIS 8 2HB HIS 8 -9.098 2.537 1.387 73 HD1 HIS 8 HD1 HIS 8 -7.170 2.555 -1.870 74 HD2 HIS 8 HD2 HIS 8 -11.118 1.958 -0.530 75 HE1 HIS 8 HE1 HIS 8 -8.475 1.572 -3.805 76 H GLU 9 H GLU 9 -10.442 6.501 1.021 77 HA GLU 9 HA GLU 9 -10.467 6.865 3.751 78 HB2 GLU 9 1HB GLU 9 -12.559 8.040 3.472 79 HB3 GLU 9 2HB GLU 9 -11.484 8.358 2.102 80 HG2 GLU 9 1HG GLU 9 -12.748 6.686 0.749 81 HG3 GLU 9 2HG GLU 9 -13.848 6.446 2.113 82 H ARG 10 H ARG 10 -12.455 4.422 2.065 83 HA ARG 10 HA ARG 10 -14.138 3.830 4.305 84 HB2 ARG 10 1HB ARG 10 -13.254 2.012 2.030 85 HB3 ARG 10 2HB ARG 10 -14.628 1.724 3.098 86 HG2 ARG 10 1HG ARG 10 -14.361 4.091 1.181 87 HG3 ARG 10 2HG ARG 10 -15.285 2.620 0.855 88 HD2 ARG 10 1HD ARG 10 -15.834 4.545 3.155 89 HD3 ARG 10 2HD ARG 10 -16.710 4.527 1.620 90 HE ARG 10 HE ARG 10 -16.930 2.595 3.827 91 HH11 ARG 10 1HH1 ARG 10 -17.810 3.316 0.481 92 HH12 ARG 10 2HH1 ARG 10 -19.111 2.156 0.478 93 HH21 ARG 10 1HH2 ARG 10 -18.600 1.132 3.741 94 HH22 ARG 10 2HH2 ARG 10 -19.548 0.944 2.291 95 H TYR 11 H TYR 11 -10.909 2.804 3.449 96 HA TYR 11 HA TYR 11 -10.774 0.667 5.442 97 HB2 TYR 11 1HB TYR 11 -9.468 0.699 3.325 98 HB3 TYR 11 2HB TYR 11 -8.630 2.149 3.868 99 HD1 TYR 11 HD2 TYR 11 -9.252 -1.405 4.822 100 HD2 TYR 11 HD1 TYR 11 -6.636 1.987 5.108 101 HE1 TYR 11 HE2 TYR 11 -7.537 -2.815 5.893 102 HE2 TYR 11 HE1 TYR 11 -4.900 0.543 6.185 103 HH TYR 11 HH TYR 11 -5.369 -2.972 6.570 104 H VAL 12 H VAL 12 -9.764 4.038 5.013 105 HA VAL 12 HA VAL 12 -8.218 4.346 7.350 106 HB VAL 12 HB VAL 12 -9.918 6.371 5.826 107 HG11 VAL 12 1HG1 VAL 12 -8.562 8.123 6.877 108 HG12 VAL 12 2HG1 VAL 12 -9.475 7.216 8.100 109 HG13 VAL 12 3HG1 VAL 12 -7.739 6.904 7.871 110 HG21 VAL 12 3HG2 VAL 12 -8.039 5.269 4.567 111 HG22 VAL 12 1HG2 VAL 12 -7.822 7.012 4.773 112 HG23 VAL 12 2HG2 VAL 12 -6.915 5.872 5.794 113 H GLU 13 H GLU 13 -11.802 4.633 6.924 114 HA GLU 13 HA GLU 13 -12.324 5.649 9.516 115 HB2 GLU 13 1HB GLU 13 -13.979 3.735 7.834 116 HB3 GLU 13 2HB GLU 13 -14.547 4.518 9.311 117 HG2 GLU 13 1HG GLU 13 -13.774 5.871 6.717 118 HG3 GLU 13 2HG GLU 13 -15.388 5.746 7.420 119 H GLN 14 H GLN 14 -12.018 2.193 8.532 120 HA GLN 14 HA GLN 14 -12.531 1.212 11.204 121 HB2 GLN 14 1HB GLN 14 -11.025 -0.030 8.867 122 HB3 GLN 14 2HB GLN 14 -11.400 -0.870 10.376 123 HG2 GLN 14 1HG GLN 14 -13.391 0.218 8.369 124 HG3 GLN 14 2HG GLN 14 -13.018 -1.484 8.689 125 HE21 GLN 14 2HE2 GLN 14 -13.241 -2.040 11.168 126 HE22 GLN 14 1HE2 GLN 14 -14.713 -1.438 11.911 127 H LEU 15 H LEU 15 -9.623 2.190 9.416 128 HA LEU 15 HA LEU 15 -7.786 1.313 11.429 129 HB2 LEU 15 1HB LEU 15 -7.731 2.768 8.923 130 HB3 LEU 15 2HB LEU 15 -6.646 3.496 10.095 131 HG LEU 15 HG LEU 15 -5.572 1.844 8.579 132 HD11 LEU 15 1HD1 LEU 15 -4.606 2.450 10.748 133 HD12 LEU 15 2HD1 LEU 15 -4.259 0.760 10.327 134 HD13 LEU 15 3HD1 LEU 15 -5.510 1.133 11.533 135 HD21 LEU 15 3HD2 LEU 15 -7.461 0.203 8.491 136 HD22 LEU 15 1HD2 LEU 15 -7.095 -0.265 10.170 137 HD23 LEU 15 2HD2 LEU 15 -5.896 -0.533 8.890 138 H LYS 16 H LYS 16 -9.701 4.304 11.144 139 HA LYS 16 HA LYS 16 -8.214 5.865 13.050 140 HB2 LYS 16 1HB LYS 16 -11.233 5.735 12.612 141 HB3 LYS 16 2HB LYS 16 -10.417 6.939 13.602 142 HG2 LYS 16 1HG LYS 16 -9.269 7.811 11.586 143 HG3 LYS 16 2HG LYS 16 -10.147 6.623 10.614 144 HD2 LYS 16 1HD LYS 16 -12.275 7.586 11.716 145 HD3 LYS 16 2HD LYS 16 -11.254 8.973 12.141 146 HE2 LYS 16 1HE LYS 16 -11.681 7.853 9.350 147 HE3 LYS 16 2HE LYS 16 -12.558 9.224 10.018 148 HZ1 LYS 16 3HZ LYS 16 -10.489 10.435 10.109 149 HZ2 LYS 16 1HZ LYS 16 -10.799 9.905 8.577 150 HZ3 LYS 16 2HZ LYS 16 -9.659 9.143 9.497 151 H GLN 17 H GLN 17 -10.734 3.394 13.356 152 HA GLN 17 HA GLN 17 -10.915 3.659 16.227 153 HB2 GLN 17 1HB GLN 17 -11.737 1.347 14.433 154 HB3 GLN 17 2HB GLN 17 -12.254 1.616 16.099 155 HG2 GLN 17 1HG GLN 17 -13.326 3.760 15.353 156 HG3 GLN 17 2HG GLN 17 -12.906 3.339 13.684 157 HE21 GLN 17 2HE2 GLN 17 -14.429 2.312 12.558 158 HE22 GLN 17 1HE2 GLN 17 -15.699 1.331 13.251 159 H ALA 18 H ALA 18 -9.277 1.364 13.996 160 HA ALA 18 HA ALA 18 -8.300 -0.342 16.037 161 HB1 ALA 18 3HB ALA 18 -8.408 -0.941 13.658 162 HB2 ALA 18 1HB ALA 18 -7.120 0.240 13.292 163 HB3 ALA 18 2HB ALA 18 -6.765 -1.177 14.309 164 H LEU 19 H LEU 19 -6.757 2.553 14.545 165 HA LEU 19 HA LEU 19 -4.257 2.328 15.950 166 HB2 LEU 19 1HB LEU 19 -5.807 4.558 14.641 167 HB3 LEU 19 2HB LEU 19 -4.464 4.981 15.686 168 HG LEU 19 HG LEU 19 -3.830 2.971 13.586 169 HD11 LEU 19 1HD1 LEU 19 -4.363 5.880 12.883 170 HD12 LEU 19 2HD1 LEU 19 -5.275 4.474 12.293 171 HD13 LEU 19 3HD1 LEU 19 -3.575 4.681 11.825 172 HD21 LEU 19 3HD2 LEU 19 -1.847 4.553 13.348 173 HD22 LEU 19 1HD2 LEU 19 -2.031 3.789 14.946 174 HD23 LEU 19 2HD2 LEU 19 -2.520 5.484 14.700 175 H LYS 20 H LYS 20 -7.400 3.809 16.754 176 HA LYS 20 HA LYS 20 -6.499 5.024 19.201 177 HB2 LYS 20 1HB LYS 20 -8.520 5.669 17.858 178 HB3 LYS 20 2HB LYS 20 -9.319 4.201 18.427 179 HG2 LYS 20 1HG LYS 20 -8.972 5.042 20.794 180 HG3 LYS 20 2HG LYS 20 -8.420 6.574 20.100 181 HD2 LYS 20 1HD LYS 20 -11.142 5.299 19.588 182 HD3 LYS 20 2HD LYS 20 -10.829 6.570 20.783 183 HE2 LYS 20 1HE LYS 20 -10.026 8.062 18.933 184 HE3 LYS 20 2HE LYS 20 -10.488 6.806 17.763 185 HZ1 LYS 20 3HZ LYS 20 -12.771 6.987 18.565 186 HZ2 LYS 20 1HZ LYS 20 -12.240 8.455 18.032 187 HZ3 LYS 20 2HZ LYS 20 -12.342 8.153 19.650 188 H THR 21 H THR 21 -8.088 1.854 18.527 189 HA THR 21 HA THR 21 -8.603 1.280 21.281 190 HB THR 21 HB THR 21 -8.670 -1.159 20.455 191 HG1 THR 21 HG1 THR 21 -7.268 -0.724 18.615 192 HG21 THR 21 1HG2 THR 21 -10.724 -0.787 19.113 193 HG22 THR 21 2HG2 THR 21 -10.347 0.944 19.033 194 HG23 THR 21 3HG2 THR 21 -10.704 0.184 20.601 195 H ARG 22 H ARG 22 -5.621 1.000 19.435 196 HA ARG 22 HA ARG 22 -4.436 -0.875 21.319 197 HB2 ARG 22 1HB ARG 22 -3.645 -0.614 18.986 198 HB3 ARG 22 2HB ARG 22 -3.111 1.024 19.350 199 HG2 ARG 22 1HG ARG 22 -1.215 -0.529 19.312 200 HG3 ARG 22 2HG ARG 22 -1.412 0.144 20.928 201 HD2 ARG 22 1HD ARG 22 -2.622 -2.546 20.236 202 HD3 ARG 22 2HD ARG 22 -0.903 -2.404 20.643 203 HE ARG 22 HE ARG 22 -2.408 -1.032 22.626 204 HH11 ARG 22 1HH1 ARG 22 -1.763 -4.378 21.607 205 HH12 ARG 22 2HH1 ARG 22 -2.101 -4.998 23.203 206 HH21 ARG 22 1HH2 ARG 22 -2.801 -1.908 24.597 207 HH22 ARG 22 2HH2 ARG 22 -2.648 -3.625 24.870 208 H GLY 23 H GLY 23 -5.089 2.540 21.331 209 HA2 GLY 23 1HA GLY 23 -4.902 3.980 23.125 210 HA3 GLY 23 2HA GLY 23 -4.185 2.667 24.070 211 H VAL 24 H VAL 24 -2.748 3.584 21.005 212 HA VAL 24 HA VAL 24 -0.504 4.808 22.545 213 HB VAL 24 HB VAL 24 0.008 2.504 21.748 214 HG11 VAL 24 1HG1 VAL 24 -0.386 3.650 18.956 215 HG12 VAL 24 2HG1 VAL 24 0.302 2.056 19.334 216 HG13 VAL 24 3HG1 VAL 24 -1.383 2.419 19.742 217 HG21 VAL 24 3HG2 VAL 24 2.168 2.998 20.714 218 HG22 VAL 24 1HG2 VAL 24 1.634 4.643 20.313 219 HG23 VAL 24 2HG2 VAL 24 1.823 4.153 22.015 220 H LYS 25 H LYS 25 0.496 6.592 21.705 221 HA LYS 25 HA LYS 25 -1.161 8.173 19.885 222 HB2 LYS 25 1HB LYS 25 -0.066 9.066 21.971 223 HB3 LYS 25 2HB LYS 25 1.502 8.838 21.197 224 HG2 LYS 25 1HG LYS 25 -0.080 10.358 19.375 225 HG3 LYS 25 2HG LYS 25 -0.356 11.058 20.977 226 HD2 LYS 25 1HD LYS 25 2.391 10.537 19.755 227 HD3 LYS 25 2HD LYS 25 1.559 12.101 19.730 228 HE2 LYS 25 1HE LYS 25 1.568 12.162 22.207 229 HE3 LYS 25 2HE LYS 25 2.388 10.588 22.246 230 HZ1 LYS 25 3HZ LYS 25 3.964 12.395 22.485 231 HZ2 LYS 25 1HZ LYS 25 3.502 13.061 21.048 232 HZ3 LYS 25 2HZ LYS 25 4.254 11.593 21.073 233 H VAL 26 H VAL 26 -0.917 6.932 17.925 234 HA VAL 26 HA VAL 26 1.722 7.434 16.588 235 HB VAL 26 HB VAL 26 -0.243 5.141 16.074 236 HG11 VAL 26 1HG1 VAL 26 1.510 4.345 14.494 237 HG12 VAL 26 2HG1 VAL 26 0.743 5.854 13.983 238 HG13 VAL 26 3HG1 VAL 26 2.368 5.886 14.703 239 HG21 VAL 26 3HG2 VAL 26 1.581 3.693 16.847 240 HG22 VAL 26 1HG2 VAL 26 2.633 5.105 17.107 241 HG23 VAL 26 2HG2 VAL 26 1.189 4.873 18.111 242 H LYS 27 H LYS 27 1.676 8.723 14.881 243 HA LYS 27 HA LYS 27 -0.822 9.970 14.038 244 HB2 LYS 27 1HB LYS 27 1.445 11.097 14.072 245 HB3 LYS 27 2HB LYS 27 1.947 10.035 12.757 246 HG2 LYS 27 1HG LYS 27 0.208 11.020 11.294 247 HG3 LYS 27 2HG LYS 27 -0.297 12.083 12.624 248 HD2 LYS 27 1HD LYS 27 1.995 13.058 12.684 249 HD3 LYS 27 2HD LYS 27 2.457 12.023 11.317 250 HE2 LYS 27 1HE LYS 27 0.721 13.108 9.912 251 HE3 LYS 27 2HE LYS 27 0.261 14.142 11.281 252 HZ1 LYS 27 3HZ LYS 27 2.503 15.080 11.242 253 HZ2 LYS 27 1HZ LYS 27 1.777 15.282 9.775 254 HZ3 LYS 27 2HZ LYS 27 2.929 14.118 9.970 255 H PHE 28 H PHE 28 -2.007 9.478 12.185 256 HA PHE 28 HA PHE 28 -2.099 6.886 11.171 257 HB2 PHE 28 1HB PHE 28 -3.207 9.509 10.551 258 HB3 PHE 28 2HB PHE 28 -2.801 8.683 9.043 259 HD1 PHE 28 HD2 PHE 28 -3.806 6.468 8.514 260 HD2 PHE 28 HD1 PHE 28 -5.079 8.831 11.871 261 HE1 PHE 28 HE2 PHE 28 -5.896 5.141 8.640 262 HE2 PHE 28 HE1 PHE 28 -7.176 7.515 12.006 263 HZ PHE 28 HZ PHE 28 -7.600 5.680 10.371 264 H ALA 29 H ALA 29 -0.415 9.669 9.651 265 HA ALA 29 HA ALA 29 0.482 8.254 7.376 266 HB1 ALA 29 3HB ALA 29 1.786 10.617 8.805 267 HB2 ALA 29 1HB ALA 29 2.113 10.089 7.138 268 HB3 ALA 29 2HB ALA 29 0.508 10.723 7.564 269 H ASP 30 H ASP 30 1.814 8.431 10.666 270 HA ASP 30 HA ASP 30 4.351 7.255 9.891 271 HB2 ASP 30 1HB ASP 30 3.566 8.702 12.025 272 HB3 ASP 30 2HB ASP 30 3.422 7.077 12.714 273 H LEU 31 H LEU 31 1.209 6.061 11.058 274 HA LEU 31 HA LEU 31 2.178 3.416 11.613 275 HB2 LEU 31 1HB LEU 31 0.080 4.369 12.492 276 HB3 LEU 31 2HB LEU 31 -0.614 4.311 10.894 277 HG LEU 31 HG LEU 31 -1.126 2.506 12.763 278 HD11 LEU 31 1HD1 LEU 31 -2.168 2.674 10.588 279 HD12 LEU 31 2HD1 LEU 31 -1.831 0.989 11.018 280 HD13 LEU 31 3HD1 LEU 31 -0.789 1.823 9.844 281 HD21 LEU 31 3HD2 LEU 31 0.050 0.426 12.506 282 HD22 LEU 31 1HD2 LEU 31 1.185 1.687 13.012 283 HD23 LEU 31 2HD2 LEU 31 1.159 1.141 11.318 284 H LEU 32 H LEU 32 0.337 4.809 8.897 285 HA LEU 32 HA LEU 32 0.598 2.450 7.266 286 HB2 LEU 32 1HB LEU 32 -0.049 5.321 6.625 287 HB3 LEU 32 2HB LEU 32 0.218 4.159 5.342 288 HG LEU 32 HG LEU 32 -2.108 4.335 5.601 289 HD11 LEU 32 1HD1 LEU 32 -2.861 2.115 6.123 290 HD12 LEU 32 2HD1 LEU 32 -1.429 1.792 7.124 291 HD13 LEU 32 3HD1 LEU 32 -1.266 1.985 5.363 292 HD21 LEU 32 3HD2 LEU 32 -1.782 3.767 8.546 293 HD22 LEU 32 1HD2 LEU 32 -3.308 4.054 7.669 294 HD23 LEU 32 2HD2 LEU 32 -2.105 5.353 7.815 295 H LYS 33 H LYS 33 2.898 4.976 7.905 296 HA LYS 33 HA LYS 33 4.604 4.618 5.621 297 HB2 LYS 33 1HB LYS 33 5.058 6.414 7.137 298 HB3 LYS 33 2HB LYS 33 5.117 5.323 8.505 299 HG2 LYS 33 1HG LYS 33 7.220 4.322 7.615 300 HG3 LYS 33 2HG LYS 33 7.185 5.536 6.313 301 HD2 LYS 33 1HD LYS 33 8.623 6.449 7.962 302 HD3 LYS 33 2HD LYS 33 7.077 7.292 8.209 303 HE2 LYS 33 1HE LYS 33 6.521 5.642 10.020 304 HE3 LYS 33 2HE LYS 33 8.106 4.892 9.785 305 HZ1 LYS 33 3HZ LYS 33 8.151 6.408 11.622 306 HZ2 LYS 33 1HZ LYS 33 7.586 7.654 10.716 307 HZ3 LYS 33 2HZ LYS 33 9.097 7.037 10.420 308 H PHE 34 H PHE 34 4.282 2.756 8.677 309 HA PHE 34 HA PHE 34 6.460 0.983 7.902 310 HB2 PHE 34 1HB PHE 34 4.437 0.959 10.132 311 HB3 PHE 34 2HB PHE 34 5.523 -0.402 9.839 312 HD1 PHE 34 HD1 PHE 34 8.012 -0.090 9.971 313 HD2 PHE 34 HD2 PHE 34 5.265 2.992 11.124 314 HE1 PHE 34 HE1 PHE 34 9.844 1.084 11.188 315 HE2 PHE 34 HE2 PHE 34 7.066 4.167 12.358 316 HZ PHE 34 HZ PHE 34 9.367 3.222 12.385 317 H PHE 35 H PHE 35 3.005 1.072 7.287 318 HA PHE 35 HA PHE 35 2.804 -1.714 6.449 319 HB2 PHE 35 1HB PHE 35 1.197 0.789 5.867 320 HB3 PHE 35 2HB PHE 35 0.899 -0.707 4.992 321 HD1 PHE 35 HD1 PHE 35 1.609 -0.109 8.681 322 HD2 PHE 35 HD2 PHE 35 -1.121 -1.545 5.682 323 HE1 PHE 35 HE1 PHE 35 0.079 -0.918 10.456 324 HE2 PHE 35 HE2 PHE 35 -2.668 -2.325 7.460 325 HZ PHE 35 HZ PHE 35 -2.065 -2.028 9.854 326 H ASP 36 H ASP 36 3.934 1.337 5.030 327 HA ASP 36 HA ASP 36 4.168 0.288 2.330 328 HB2 ASP 36 1HB ASP 36 4.395 2.794 3.591 329 HB3 ASP 36 2HB ASP 36 6.022 2.441 2.990 330 H PHE 37 H PHE 37 6.227 0.408 5.209 331 HA PHE 37 HA PHE 37 8.659 -0.409 3.927 332 HB2 PHE 37 1HB PHE 37 8.457 0.583 6.219 333 HB3 PHE 37 2HB PHE 37 7.765 -0.940 6.783 334 HD1 PHE 37 HD2 PHE 37 10.802 0.326 4.941 335 HD2 PHE 37 HD1 PHE 37 9.195 -2.518 7.742 336 HE1 PHE 37 HE2 PHE 37 13.095 -0.547 5.361 337 HE2 PHE 37 HE1 PHE 37 11.489 -3.396 8.173 338 HZ PHE 37 HZ PHE 37 13.445 -2.411 6.980 339 H VAL 38 H VAL 38 5.822 -2.203 5.097 340 HA VAL 38 HA VAL 38 6.943 -4.850 4.868 341 HB VAL 38 HB VAL 38 4.092 -3.943 4.205 342 HG11 VAL 38 1HG1 VAL 38 5.237 -6.715 4.733 343 HG12 VAL 38 2HG1 VAL 38 3.495 -6.353 4.747 344 HG13 VAL 38 3HG1 VAL 38 4.434 -6.141 3.259 345 HG21 VAL 38 3HG2 VAL 38 5.218 -5.022 6.750 346 HG22 VAL 38 1HG2 VAL 38 4.688 -3.358 6.430 347 HG23 VAL 38 2HG2 VAL 38 3.508 -4.666 6.398 348 H LYS 39 H LYS 39 5.306 -2.615 2.624 349 HA LYS 39 HA LYS 39 5.138 -4.514 0.554 350 HB2 LYS 39 1HB LYS 39 3.773 -2.452 0.657 351 HB3 LYS 39 2HB LYS 39 5.210 -1.471 0.387 352 HG2 LYS 39 1HG LYS 39 4.712 -3.516 -1.697 353 HG3 LYS 39 2HG LYS 39 3.476 -2.253 -1.566 354 HD2 LYS 39 1HD LYS 39 5.228 -0.505 -1.752 355 HD3 LYS 39 2HD LYS 39 6.469 -1.764 -1.877 356 HE2 LYS 39 1HE LYS 39 6.017 -1.018 -4.100 357 HE3 LYS 39 2HE LYS 39 5.293 -2.628 -3.934 358 HZ1 LYS 39 3HZ LYS 39 3.818 -0.054 -3.754 359 HZ2 LYS 39 1HZ LYS 39 3.140 -1.550 -3.606 360 HZ3 LYS 39 2HZ LYS 39 3.796 -1.081 -5.043 361 H ASP 40 H ASP 40 7.605 -2.153 1.459 362 HA ASP 40 HA ASP 40 9.264 -2.392 -0.859 363 HB2 ASP 40 1HB ASP 40 9.441 -0.541 0.728 364 HB3 ASP 40 2HB ASP 40 9.895 -1.656 2.022 365 H THR 41 H THR 41 9.716 -3.875 2.421 366 HA THR 41 HA THR 41 11.939 -5.444 1.438 367 HB THR 41 HB THR 41 10.412 -6.050 3.989 368 HG1 THR 41 HG1 THR 41 11.875 -3.755 3.266 369 HG21 THR 41 1HG2 THR 41 12.364 -7.456 3.447 370 HG22 THR 41 2HG2 THR 41 12.696 -6.421 4.852 371 HG23 THR 41 3HG2 THR 41 13.370 -5.999 3.264 372 H CYS 42 H CYS 42 8.498 -5.988 1.681 373 HA CYS 42 HA CYS 42 8.908 -8.771 0.664 374 HB2 CYS 42 1HB CYS 42 6.802 -7.775 2.612 375 HB3 CYS 42 2HB CYS 42 6.808 -9.375 1.860 376 HG CYS 42 HG CYS 42 9.235 -8.071 3.653 377 HA PRO 43 HA PRO 43 6.250 -6.295 -2.206 378 HB2 PRO 43 1HB PRO 43 7.372 -7.089 -4.563 379 HB3 PRO 43 2HB PRO 43 8.087 -5.789 -3.554 380 HG2 PRO 43 1HG PRO 43 8.822 -8.710 -3.664 381 HG3 PRO 43 2HG PRO 43 9.888 -7.275 -3.793 382 HD2 PRO 43 1HD PRO 43 9.557 -8.613 -1.457 383 HD3 PRO 43 2HD PRO 43 9.749 -6.820 -1.499 384 H TRP 44 H TRP 44 7.123 -9.615 -1.846 385 HA TRP 44 HA TRP 44 5.030 -10.698 -3.542 386 HB2 TRP 44 1HB TRP 44 5.707 -12.780 -2.071 387 HB3 TRP 44 2HB TRP 44 6.747 -12.181 -3.372 388 HD1 TRP 44 HD1 TRP 44 6.380 -11.653 0.423 389 HE1 TRP 44 HE1 TRP 44 8.672 -11.265 1.493 390 HE3 TRP 44 HE3 TRP 44 9.119 -11.691 -3.864 391 HZ2 TRP 44 HZ2 TRP 44 11.353 -10.946 0.572 392 HZ3 TRP 44 HZ3 TRP 44 11.588 -11.300 -3.721 393 HH2 TRP 44 HH2 TRP 44 12.684 -10.932 -1.508 394 H PHE 45 H PHE 45 5.060 -9.290 -0.375 395 HA PHE 45 HA PHE 45 3.004 -10.972 0.754 396 HB2 PHE 45 1HB PHE 45 4.462 -9.549 2.135 397 HB3 PHE 45 2HB PHE 45 3.719 -8.104 1.450 398 HD1 PHE 45 HD2 PHE 45 3.225 -10.991 3.707 399 HD2 PHE 45 HD1 PHE 45 1.464 -7.412 2.097 400 HE1 PHE 45 HE2 PHE 45 1.479 -11.053 5.481 401 HE2 PHE 45 HE1 PHE 45 -0.307 -7.491 3.850 402 HZ PHE 45 HZ PHE 45 -0.291 -9.305 5.554 403 HA PRO 46 HA PRO 46 -0.188 -7.943 -0.764 404 HB2 PRO 46 1HB PRO 46 0.279 -6.220 -2.834 405 HB3 PRO 46 2HB PRO 46 0.531 -5.761 -1.122 406 HG2 PRO 46 1HG PRO 46 2.545 -6.748 -3.115 407 HG3 PRO 46 2HG PRO 46 2.605 -5.284 -2.079 408 HD2 PRO 46 1HD PRO 46 3.849 -7.540 -1.340 409 HD3 PRO 46 2HD PRO 46 2.987 -6.538 -0.131 410 H GLN 47 H GLN 47 2.248 -9.275 -2.934 411 HA GLN 47 HA GLN 47 0.559 -9.789 -5.184 412 HB2 GLN 47 1HB GLN 47 3.087 -9.854 -5.082 413 HB3 GLN 47 2HB GLN 47 2.947 -11.392 -4.230 414 HG2 GLN 47 1HG GLN 47 1.802 -12.373 -6.189 415 HG3 GLN 47 2HG GLN 47 1.973 -10.832 -7.043 416 HE21 GLN 47 2HE2 GLN 47 3.335 -11.529 -8.690 417 HE22 GLN 47 1HE2 GLN 47 4.954 -12.097 -8.380 418 H GLU 48 H GLU 48 1.255 -11.665 -2.191 419 HA GLU 48 HA GLU 48 -0.213 -14.012 -3.028 420 HB2 GLU 48 1HB GLU 48 0.494 -12.903 -0.281 421 HB3 GLU 48 2HB GLU 48 -0.437 -14.382 -0.509 422 HG2 GLU 48 1HG GLU 48 1.582 -15.118 -2.014 423 HG3 GLU 48 2HG GLU 48 2.461 -13.874 -1.109 424 H GLY 49 H GLY 49 -1.114 -10.907 -1.644 425 HA2 GLY 49 1HA GLY 49 -3.165 -9.949 -1.270 426 HA3 GLY 49 2HA GLY 49 -3.815 -11.125 -2.419 427 H THR 50 H THR 50 -2.270 -12.446 0.375 428 HA THR 50 HA THR 50 -4.944 -12.971 1.601 429 HB THR 50 HB THR 50 -2.635 -14.951 1.391 430 HG1 THR 50 HG1 THR 50 -3.660 -14.528 -0.644 431 HG21 THR 50 1HG2 THR 50 -4.470 -16.562 2.036 432 HG22 THR 50 2HG2 THR 50 -5.516 -15.161 2.359 433 HG23 THR 50 3HG2 THR 50 -4.033 -15.408 3.317 434 H ILE 51 H ILE 51 -5.041 -12.323 3.651 435 HA ILE 51 HA ILE 51 -2.418 -11.769 4.997 436 HB ILE 51 HB ILE 51 -5.023 -10.196 5.084 437 HG12 ILE 51 1HG1 ILE 51 -2.254 -9.476 4.022 438 HG13 ILE 51 2HG1 ILE 51 -3.577 -10.035 3.006 439 HG21 ILE 51 1HG2 ILE 51 -3.830 -10.177 7.307 440 HG22 ILE 51 2HG2 ILE 51 -2.362 -9.584 6.494 441 HG23 ILE 51 3HG2 ILE 51 -3.838 -8.587 6.533 442 HD11 ILE 51 3HD1 ILE 51 -3.434 -7.700 2.816 443 HD12 ILE 51 1HD1 ILE 51 -4.910 -8.098 3.722 444 HD13 ILE 51 2HD1 ILE 51 -3.472 -7.485 4.577 445 H ASP 52 H ASP 52 -2.090 -13.339 6.291 446 HA ASP 52 HA ASP 52 -4.016 -13.841 8.487 447 HB2 ASP 52 1HB ASP 52 -4.395 -15.686 6.855 448 HB3 ASP 52 2HB ASP 52 -2.651 -16.005 6.841 449 H ILE 53 H ILE 53 -2.769 -14.995 10.261 450 HA ILE 53 HA ILE 53 -0.368 -13.545 10.746 451 HB ILE 53 HB ILE 53 -1.961 -14.418 12.446 452 HG12 ILE 53 1HG1 ILE 53 -0.246 -15.134 14.126 453 HG13 ILE 53 2HG1 ILE 53 0.932 -15.269 12.823 454 HG21 ILE 53 1HG2 ILE 53 -2.331 -16.671 11.512 455 HG22 ILE 53 2HG2 ILE 53 -0.673 -17.128 11.979 456 HG23 ILE 53 3HG2 ILE 53 -1.874 -16.720 13.225 457 HD11 ILE 53 3HD1 ILE 53 1.072 -13.153 14.185 458 HD12 ILE 53 1HD1 ILE 53 0.905 -12.888 12.439 459 HD13 ILE 53 2HD1 ILE 53 -0.502 -12.676 13.512 460 H LYS 54 H LYS 54 -0.956 -16.688 9.261 461 HA LYS 54 HA LYS 54 1.744 -17.663 9.442 462 HB2 LYS 54 1HB LYS 54 -0.417 -18.123 7.360 463 HB3 LYS 54 2HB LYS 54 1.097 -19.039 7.441 464 HG2 LYS 54 1HG LYS 54 0.504 -19.966 9.596 465 HG3 LYS 54 2HG LYS 54 -0.898 -18.890 9.726 466 HD2 LYS 54 1HD LYS 54 -1.856 -19.963 7.680 467 HD3 LYS 54 2HD LYS 54 -0.531 -21.150 7.737 468 HE2 LYS 54 1HE LYS 54 -1.246 -21.843 9.994 469 HE3 LYS 54 2HE LYS 54 -2.517 -20.601 9.984 470 HZ1 LYS 54 3HZ LYS 54 -2.369 -22.897 8.115 471 HZ2 LYS 54 1HZ LYS 54 -3.547 -21.740 8.125 472 HZ3 LYS 54 2HZ LYS 54 -3.393 -22.774 9.401 473 H ARG 55 H ARG 55 0.139 -15.468 7.130 474 HA ARG 55 HA ARG 55 2.530 -15.288 5.432 475 HB2 ARG 55 1HB ARG 55 -0.187 -14.010 5.499 476 HB3 ARG 55 2HB ARG 55 1.130 -13.092 4.768 477 HG2 ARG 55 1HG ARG 55 0.379 -14.162 2.923 478 HG3 ARG 55 2HG ARG 55 1.592 -15.328 3.467 479 HD2 ARG 55 1HD ARG 55 -0.206 -16.630 4.589 480 HD3 ARG 55 2HD ARG 55 -1.402 -15.461 3.974 481 HE ARG 55 HE ARG 55 0.198 -16.377 1.794 482 HH11 ARG 55 1HH1 ARG 55 -2.312 -17.677 3.934 483 HH12 ARG 55 2HH1 ARG 55 -2.851 -18.815 2.728 484 HH21 ARG 55 1HH2 ARG 55 -0.521 -17.790 0.361 485 HH22 ARG 55 2HH2 ARG 55 -1.852 -18.882 0.714 486 H TRP 56 H TRP 56 0.990 -13.378 8.024 487 HA TRP 56 HA TRP 56 2.729 -11.137 7.788 488 HB2 TRP 56 1HB TRP 56 0.557 -11.267 9.046 489 HB3 TRP 56 2HB TRP 56 1.410 -12.147 10.325 490 HD1 TRP 56 HD1 TRP 56 2.312 -10.606 12.180 491 HE1 TRP 56 HE1 TRP 56 3.022 -8.172 12.444 492 HE3 TRP 56 HE3 TRP 56 1.607 -9.150 7.332 493 HZ2 TRP 56 HZ2 TRP 56 3.321 -5.909 10.748 494 HZ3 TRP 56 HZ3 TRP 56 2.141 -6.794 6.702 495 HH2 TRP 56 HH2 TRP 56 2.984 -5.190 8.418 496 H ARG 57 H ARG 57 3.116 -14.228 9.474 497 HA ARG 57 HA ARG 57 5.406 -13.490 11.021 498 HB2 ARG 57 1HB ARG 57 4.310 -16.072 9.950 499 HB3 ARG 57 2HB ARG 57 5.906 -16.037 10.724 500 HG2 ARG 57 1HG ARG 57 5.037 -15.365 12.797 501 HG3 ARG 57 2HG ARG 57 3.507 -14.816 12.094 502 HD2 ARG 57 1HD ARG 57 2.818 -17.076 11.634 503 HD3 ARG 57 2HD ARG 57 4.391 -17.716 12.156 504 HE ARG 57 HE ARG 57 2.176 -16.788 13.848 505 HH11 ARG 57 1HH1 ARG 57 5.605 -17.665 13.794 506 HH12 ARG 57 2HH1 ARG 57 5.642 -17.979 15.508 507 HH21 ARG 57 1HH2 ARG 57 2.306 -17.185 16.025 508 HH22 ARG 57 2HH2 ARG 57 3.806 -17.706 16.746 509 H ARG 58 H ARG 58 5.118 -14.708 7.664 510 HA ARG 58 HA ARG 58 7.884 -14.957 7.140 511 HB2 ARG 58 1HB ARG 58 5.721 -14.003 5.233 512 HB3 ARG 58 2HB ARG 58 7.321 -14.577 4.779 513 HG2 ARG 58 1HG ARG 58 6.773 -16.807 5.723 514 HG3 ARG 58 2HG ARG 58 5.144 -16.215 6.109 515 HD2 ARG 58 1HD ARG 58 5.019 -17.383 4.010 516 HD3 ARG 58 2HD ARG 58 4.838 -15.649 3.680 517 HE ARG 58 HE ARG 58 7.585 -16.614 3.493 518 HH11 ARG 58 1HH1 ARG 58 4.598 -16.109 1.616 519 HH12 ARG 58 2HH1 ARG 58 5.469 -16.122 0.112 520 HH21 ARG 58 1HH2 ARG 58 8.583 -16.606 1.521 521 HH22 ARG 58 2HH2 ARG 58 7.666 -16.388 0.056 522 H VAL 59 H VAL 59 5.860 -12.048 7.248 523 HA VAL 59 HA VAL 59 7.752 -10.324 5.929 524 HB VAL 59 HB VAL 59 5.602 -9.626 7.992 525 HG11 VAL 59 1HG1 VAL 59 5.657 -7.382 6.983 526 HG12 VAL 59 2HG1 VAL 59 7.214 -7.815 7.707 527 HG13 VAL 59 3HG1 VAL 59 7.016 -7.884 5.944 528 HG21 VAL 59 3HG2 VAL 59 4.619 -10.787 6.110 529 HG22 VAL 59 1HG2 VAL 59 4.224 -9.063 6.008 530 HG23 VAL 59 2HG2 VAL 59 5.497 -9.743 4.965 531 H GLY 60 H GLY 60 7.159 -11.260 9.316 532 HA2 GLY 60 1HA GLY 60 9.144 -9.411 10.323 533 HA3 GLY 60 2HA GLY 60 8.341 -10.713 11.225 534 H ASP 61 H ASP 61 9.069 -12.821 9.382 535 HA ASP 61 HA ASP 61 11.657 -13.535 10.360 536 HB2 ASP 61 1HB ASP 61 10.172 -14.528 7.883 537 HB3 ASP 61 2HB ASP 61 11.547 -15.335 8.644 538 H CYS 62 H CYS 62 10.463 -12.044 7.354 539 HA CYS 62 HA CYS 62 12.934 -11.895 5.955 540 HB2 CYS 62 1HB CYS 62 10.404 -11.344 5.316 541 HB3 CYS 62 2HB CYS 62 10.878 -9.708 5.753 542 HG CYS 62 HG CYS 62 10.935 -9.802 3.222 543 H PHE 63 H PHE 63 11.330 -9.525 8.156 544 HA PHE 63 HA PHE 63 13.384 -7.542 7.914 545 HB2 PHE 63 1HB PHE 63 11.620 -8.167 10.313 546 HB3 PHE 63 2HB PHE 63 12.592 -6.716 10.121 547 HD1 PHE 63 HD1 PHE 63 11.899 -6.366 7.031 548 HD2 PHE 63 HD2 PHE 63 9.546 -6.964 10.593 549 HE1 PHE 63 HE1 PHE 63 9.991 -5.168 5.976 550 HE2 PHE 63 HE2 PHE 63 7.645 -5.754 9.540 551 HZ PHE 63 HZ PHE 63 7.866 -4.856 7.224 552 H GLN 64 H GLN 64 12.998 -10.390 10.047 553 HA GLN 64 HA GLN 64 15.177 -9.707 11.767 554 HB2 GLN 64 1HB GLN 64 13.386 -11.363 12.295 555 HB3 GLN 64 2HB GLN 64 14.074 -12.459 11.092 556 HG2 GLN 64 1HG GLN 64 14.800 -13.111 13.317 557 HG3 GLN 64 2HG GLN 64 16.185 -12.548 12.368 558 HE21 GLN 64 2HE2 GLN 64 17.493 -11.133 13.306 559 HE22 GLN 64 1HE2 GLN 64 17.084 -10.126 14.677 560 H ASP 65 H ASP 65 14.996 -11.803 8.842 561 HA ASP 65 HA ASP 65 17.729 -12.618 8.960 562 HB2 ASP 65 1HB ASP 65 15.746 -12.334 6.681 563 HB3 ASP 65 2HB ASP 65 17.408 -12.888 6.416 564 H TYR 66 H TYR 66 16.128 -9.906 7.236 565 HA TYR 66 HA TYR 66 18.546 -8.959 6.059 566 HB2 TYR 66 1HB TYR 66 15.991 -8.485 5.618 567 HB3 TYR 66 2HB TYR 66 16.258 -7.117 6.692 568 HD1 TYR 66 HD2 TYR 66 18.271 -8.745 3.925 569 HD2 TYR 66 HD1 TYR 66 16.450 -5.133 5.404 570 HE1 TYR 66 HE2 TYR 66 19.147 -7.494 1.963 571 HE2 TYR 66 HE1 TYR 66 17.312 -3.896 3.420 572 HH TYR 66 HH TYR 66 19.114 -5.541 0.806 573 H PHE 67 H PHE 67 17.018 -8.309 9.200 574 HA PHE 67 HA PHE 67 18.784 -6.157 9.969 575 HB2 PHE 67 1HB PHE 67 16.649 -6.678 11.100 576 HB3 PHE 67 2HB PHE 67 17.298 -8.225 11.642 577 HD1 PHE 67 HD2 PHE 67 19.249 -8.236 13.302 578 HD2 PHE 67 HD1 PHE 67 17.020 -4.689 12.335 579 HE1 PHE 67 HE2 PHE 67 20.082 -7.149 15.378 580 HE2 PHE 67 HE1 PHE 67 17.821 -3.610 14.412 581 HZ PHE 67 HZ PHE 67 19.364 -4.830 15.944 582 H ASN 68 H ASN 68 18.907 -9.735 10.529 583 HA ASN 68 HA ASN 68 21.231 -9.523 12.196 584 HB2 ASN 68 1HB ASN 68 20.875 -11.670 12.556 585 HB3 ASN 68 2HB ASN 68 19.432 -11.527 11.568 586 HD21 ASN 68 2HD2 ASN 68 19.466 -12.374 9.468 587 HD22 ASN 68 1HD2 ASN 68 20.712 -13.488 8.960 588 H THR 69 H THR 69 20.834 -9.762 8.788 589 HA THR 69 HA THR 69 23.403 -10.579 7.962 590 HB THR 69 HB THR 69 21.629 -8.470 6.619 591 HG1 THR 69 HG1 THR 69 20.538 -10.478 7.010 592 HG21 THR 69 1HG2 THR 69 23.734 -10.363 5.495 593 HG22 THR 69 2HG2 THR 69 23.874 -8.594 5.606 594 HG23 THR 69 3HG2 THR 69 22.662 -9.325 4.532 595 H PHE 70 H PHE 70 22.334 -7.330 9.044 596 HA PHE 70 HA PHE 70 25.208 -6.490 8.891 597 HB2 PHE 70 1HB PHE 70 22.770 -5.228 7.813 598 HB3 PHE 70 2HB PHE 70 23.886 -4.139 8.644 599 HD1 PHE 70 HD2 PHE 70 26.159 -3.764 7.808 600 HD2 PHE 70 HD1 PHE 70 23.382 -6.285 5.702 601 HE1 PHE 70 HE2 PHE 70 27.603 -3.648 5.782 602 HE2 PHE 70 HE1 PHE 70 24.819 -6.179 3.666 603 HZ PHE 70 HZ PHE 70 26.934 -4.854 3.702 604 H GLY 71 H GLY 71 22.077 -5.738 10.484 605 HA2 GLY 71 1HA GLY 71 22.496 -5.534 13.046 606 HA3 GLY 71 2HA GLY 71 23.586 -4.224 12.541 607 HA PRO 72 HA PRO 72 19.217 -2.584 12.974 608 HB2 PRO 72 1HB PRO 72 19.746 -0.471 14.612 609 HB3 PRO 72 2HB PRO 72 19.537 -2.136 15.242 610 HG2 PRO 72 1HG PRO 72 22.086 -0.690 14.570 611 HG3 PRO 72 2HG PRO 72 21.636 -1.526 16.090 612 HD2 PRO 72 1HD PRO 72 23.127 -2.756 14.217 613 HD3 PRO 72 2HD PRO 72 21.854 -3.657 15.116 614 H GLU 73 H GLU 73 22.202 -1.455 11.767 615 HA GLU 73 HA GLU 73 21.353 1.141 10.813 616 HB2 GLU 73 1HB GLU 73 23.464 -0.769 9.724 617 HB3 GLU 73 2HB GLU 73 23.313 0.942 9.331 618 HG2 GLU 73 1HG GLU 73 25.084 0.826 10.888 619 HG3 GLU 73 2HG GLU 73 23.700 1.439 11.806 620 H LYS 74 H LYS 74 20.981 -2.190 9.746 621 HA LYS 74 HA LYS 74 20.184 -1.316 7.051 622 HB2 LYS 74 1HB LYS 74 21.167 -3.728 8.252 623 HB3 LYS 74 2HB LYS 74 19.643 -4.085 7.429 624 HG2 LYS 74 1HG LYS 74 22.033 -2.693 6.160 625 HG3 LYS 74 2HG LYS 74 21.616 -4.406 5.958 626 HD2 LYS 74 1HD LYS 74 19.465 -3.774 4.942 627 HD3 LYS 74 2HD LYS 74 19.865 -2.059 5.135 628 HE2 LYS 74 1HE LYS 74 21.885 -2.403 3.726 629 HE3 LYS 74 2HE LYS 74 21.355 -4.077 3.435 630 HZ1 LYS 74 3HZ LYS 74 20.638 -2.486 1.698 631 HZ2 LYS 74 1HZ LYS 74 19.720 -1.682 2.808 632 HZ3 LYS 74 2HZ LYS 74 19.362 -3.246 2.417 633 H VAL 75 H VAL 75 18.627 -2.745 9.925 634 HA VAL 75 HA VAL 75 16.025 -1.943 8.689 635 HB VAL 75 HB VAL 75 16.547 -4.488 10.307 636 HG11 VAL 75 1HG1 VAL 75 14.344 -3.539 10.863 637 HG12 VAL 75 2HG1 VAL 75 13.941 -3.420 9.133 638 HG13 VAL 75 3HG1 VAL 75 14.156 -5.011 9.897 639 HG21 VAL 75 3HG2 VAL 75 17.295 -4.782 8.024 640 HG22 VAL 75 1HG2 VAL 75 15.775 -5.663 8.257 641 HG23 VAL 75 2HG2 VAL 75 15.772 -4.102 7.398 642 HA PRO 76 HA PRO 76 16.275 0.036 12.615 643 HB2 PRO 76 1HB PRO 76 13.860 1.263 12.780 644 HB3 PRO 76 2HB PRO 76 15.130 1.830 11.681 645 HG2 PRO 76 1HG PRO 76 12.767 0.109 11.093 646 HG3 PRO 76 2HG PRO 76 13.358 1.546 10.210 647 HD2 PRO 76 1HD PRO 76 13.918 -0.993 9.413 648 HD3 PRO 76 2HD PRO 76 15.086 0.357 9.199 649 H VAL 77 H VAL 77 15.713 -0.435 14.746 650 HA VAL 77 HA VAL 77 14.306 -2.870 15.221 651 HB VAL 77 HB VAL 77 14.490 -2.281 17.638 652 HG11 VAL 77 1HG1 VAL 77 16.347 -3.394 16.423 653 HG12 VAL 77 2HG1 VAL 77 17.043 -1.804 16.029 654 HG13 VAL 77 3HG1 VAL 77 16.944 -2.340 17.721 655 HG21 VAL 77 3HG2 VAL 77 14.196 0.181 17.446 656 HG22 VAL 77 1HG2 VAL 77 15.688 -0.236 18.306 657 HG23 VAL 77 2HG2 VAL 77 15.769 0.302 16.617 658 H THR 78 H THR 78 13.153 0.414 14.919 659 HA THR 78 HA THR 78 10.701 -0.010 16.384 660 HB THR 78 HB THR 78 11.344 2.255 16.009 661 HG1 THR 78 HG1 THR 78 9.059 1.434 14.592 662 HG21 THR 78 1HG2 THR 78 11.216 3.260 13.696 663 HG22 THR 78 2HG2 THR 78 11.362 1.602 13.079 664 HG23 THR 78 3HG2 THR 78 12.653 2.311 14.086 665 H ALA 79 H ALA 79 11.794 -0.938 13.172 666 HA ALA 79 HA ALA 79 9.157 -1.164 12.048 667 HB1 ALA 79 3HB ALA 79 11.714 -2.676 11.463 668 HB2 ALA 79 1HB ALA 79 10.247 -2.703 10.454 669 HB3 ALA 79 2HB ALA 79 11.145 -1.185 10.680 670 H PHE 80 H PHE 80 11.156 -3.346 14.056 671 HA PHE 80 HA PHE 80 9.327 -5.574 13.876 672 HB2 PHE 80 1HB PHE 80 11.350 -4.858 16.027 673 HB3 PHE 80 2HB PHE 80 10.535 -6.416 15.861 674 HD1 PHE 80 HD1 PHE 80 13.069 -4.161 14.415 675 HD2 PHE 80 HD2 PHE 80 11.195 -8.016 14.156 676 HE1 PHE 80 HE1 PHE 80 14.888 -4.919 12.925 677 HE2 PHE 80 HE2 PHE 80 13.004 -8.799 12.650 678 HZ PHE 80 HZ PHE 80 14.851 -7.254 12.021 679 H SER 81 H SER 81 9.602 -2.731 15.940 680 HA SER 81 HA SER 81 7.796 -3.633 17.997 681 HB2 SER 81 1HB SER 81 9.367 -1.732 18.302 682 HB3 SER 81 2HB SER 81 8.461 -0.798 17.096 683 HG SER 81 HG SER 81 7.506 -1.756 19.597 684 H TYR 82 H TYR 82 7.414 -1.622 15.060 685 HA TYR 82 HA TYR 82 4.571 -1.313 15.302 686 HB2 TYR 82 1HB TYR 82 6.647 -0.976 13.179 687 HB3 TYR 82 2HB TYR 82 4.968 -1.145 12.653 688 HD1 TYR 82 HD1 TYR 82 7.247 0.944 14.767 689 HD2 TYR 82 HD2 TYR 82 3.376 0.564 12.948 690 HE1 TYR 82 HE1 TYR 82 6.791 3.341 15.265 691 HE2 TYR 82 HE2 TYR 82 2.923 2.985 13.458 692 HH TYR 82 HH TYR 82 5.382 5.134 14.815 693 H TRP 83 H TRP 83 6.647 -3.721 13.676 694 HA TRP 83 HA TRP 83 4.608 -5.083 12.305 695 HB2 TRP 83 1HB TRP 83 7.002 -5.472 11.924 696 HB3 TRP 83 2HB TRP 83 7.192 -6.076 13.562 697 HD1 TRP 83 HD1 TRP 83 5.745 -7.179 10.181 698 HE1 TRP 83 HE1 TRP 83 5.430 -9.707 10.157 699 HE3 TRP 83 HE3 TRP 83 6.941 -8.072 15.069 700 HZ2 TRP 83 HZ2 TRP 83 5.676 -11.841 12.020 701 HZ3 TRP 83 HZ3 TRP 83 6.921 -10.430 15.898 702 HH2 TRP 83 HH2 TRP 83 6.283 -12.301 14.370 703 H ASN 84 H ASN 84 5.708 -5.367 15.680 704 HA ASN 84 HA ASN 84 4.152 -7.701 16.300 705 HB2 ASN 84 1HB ASN 84 5.636 -5.622 17.839 706 HB3 ASN 84 2HB ASN 84 4.398 -6.543 18.705 707 HD21 ASN 84 2HD2 ASN 84 7.564 -6.573 17.407 708 HD22 ASN 84 1HD2 ASN 84 7.950 -8.227 17.834 709 H LEU 85 H LEU 85 3.273 -4.295 16.034 710 HA LEU 85 HA LEU 85 0.875 -4.482 17.654 711 HB2 LEU 85 1HB LEU 85 2.121 -2.395 17.001 712 HB3 LEU 85 2HB LEU 85 1.542 -2.594 15.359 713 HG LEU 85 HG LEU 85 -0.372 -2.270 17.665 714 HD11 LEU 85 1HD1 LEU 85 -0.327 0.173 17.173 715 HD12 LEU 85 2HD1 LEU 85 1.020 -0.094 16.042 716 HD13 LEU 85 3HD1 LEU 85 1.233 -0.419 17.779 717 HD21 LEU 85 3HD2 LEU 85 -1.408 -2.928 15.531 718 HD22 LEU 85 1HD2 LEU 85 -0.571 -1.607 14.690 719 HD23 LEU 85 2HD2 LEU 85 -1.820 -1.250 15.906 720 H ILE 86 H ILE 86 1.619 -4.766 14.146 721 HA ILE 86 HA ILE 86 -1.151 -5.299 13.479 722 HB ILE 86 HB ILE 86 1.378 -5.802 11.906 723 HG12 ILE 86 1HG1 ILE 86 -0.302 -3.694 10.897 724 HG13 ILE 86 2HG1 ILE 86 -0.015 -3.400 12.611 725 HG21 ILE 86 1HG2 ILE 86 -1.563 -5.905 11.129 726 HG22 ILE 86 2HG2 ILE 86 -0.238 -5.771 9.935 727 HG23 ILE 86 3HG2 ILE 86 -0.351 -7.197 10.982 728 HD11 ILE 86 3HD1 ILE 86 2.026 -3.692 10.406 729 HD12 ILE 86 1HD1 ILE 86 1.716 -2.286 11.452 730 HD13 ILE 86 2HD1 ILE 86 2.450 -3.752 12.132 731 H LYS 87 H LYS 87 1.630 -7.208 14.438 732 HA LYS 87 HA LYS 87 0.796 -9.789 13.643 733 HB2 LYS 87 1HB LYS 87 3.010 -9.346 14.531 734 HB3 LYS 87 2HB LYS 87 2.316 -8.754 16.025 735 HG2 LYS 87 1HG LYS 87 1.478 -11.070 16.495 736 HG3 LYS 87 2HG LYS 87 2.504 -11.608 15.136 737 HD2 LYS 87 1HD LYS 87 4.440 -10.538 16.195 738 HD3 LYS 87 2HD LYS 87 3.418 -9.926 17.494 739 HE2 LYS 87 1HE LYS 87 2.942 -12.229 18.215 740 HE3 LYS 87 2HE LYS 87 4.029 -12.840 16.937 741 HZ1 LYS 87 3HZ LYS 87 5.850 -11.689 17.941 742 HZ2 LYS 87 1HZ LYS 87 5.105 -12.496 19.173 743 HZ3 LYS 87 2HZ LYS 87 4.885 -10.867 18.989 744 H GLU 88 H GLU 88 0.104 -8.070 16.781 745 HA GLU 88 HA GLU 88 -1.548 -10.263 17.665 746 HB2 GLU 88 1HB GLU 88 -2.299 -8.773 19.443 747 HB3 GLU 88 2HB GLU 88 -0.540 -8.743 19.268 748 HG2 GLU 88 1HG GLU 88 -0.674 -6.619 18.071 749 HG3 GLU 88 2HG GLU 88 -2.439 -6.630 18.207 750 H LEU 89 H LEU 89 -2.217 -7.365 15.744 751 HA LEU 89 HA LEU 89 -5.023 -7.369 15.926 752 HB2 LEU 89 1HB LEU 89 -2.937 -6.231 14.235 753 HB3 LEU 89 2HB LEU 89 -4.394 -6.618 13.322 754 HG LEU 89 HG LEU 89 -5.701 -5.326 14.949 755 HD11 LEU 89 1HD1 LEU 89 -4.247 -5.356 16.914 756 HD12 LEU 89 2HD1 LEU 89 -4.642 -3.695 16.434 757 HD13 LEU 89 3HD1 LEU 89 -3.053 -4.378 16.043 758 HD21 LEU 89 3HD2 LEU 89 -3.461 -3.802 13.578 759 HD22 LEU 89 1HD2 LEU 89 -5.027 -3.117 14.072 760 HD23 LEU 89 2HD2 LEU 89 -4.966 -4.363 12.808 761 H ILE 90 H ILE 90 -2.860 -9.104 13.658 762 HA ILE 90 HA ILE 90 -5.164 -10.360 12.358 763 HB ILE 90 HB ILE 90 -2.213 -11.097 12.109 764 HG12 ILE 90 1HG1 ILE 90 -3.842 -9.378 10.199 765 HG13 ILE 90 2HG1 ILE 90 -2.850 -8.675 11.477 766 HG21 ILE 90 1HG2 ILE 90 -3.744 -12.867 11.305 767 HG22 ILE 90 2HG2 ILE 90 -4.664 -11.677 10.355 768 HG23 ILE 90 3HG2 ILE 90 -2.990 -12.070 9.918 769 HD11 ILE 90 3HD1 ILE 90 -0.840 -9.776 10.541 770 HD12 ILE 90 1HD1 ILE 90 -1.825 -10.425 9.209 771 HD13 ILE 90 2HD1 ILE 90 -1.610 -8.671 9.382 772 H ASP 91 H ASP 91 -2.691 -11.287 14.766 773 HA ASP 91 HA ASP 91 -3.174 -14.079 14.817 774 HB2 ASP 91 1HB ASP 91 -1.284 -12.844 15.918 775 HB3 ASP 91 2HB ASP 91 -2.421 -12.273 17.147 776 H LYS 92 H LYS 92 -4.939 -11.420 16.350 777 HA LYS 92 HA LYS 92 -6.866 -13.455 17.417 778 HB2 LYS 92 1HB LYS 92 -5.973 -10.873 18.700 779 HB3 LYS 92 2HB LYS 92 -7.271 -11.935 19.284 780 HG2 LYS 92 1HG LYS 92 -5.525 -13.818 19.156 781 HG3 LYS 92 2HG LYS 92 -4.323 -12.516 19.083 782 HD2 LYS 92 1HD LYS 92 -5.060 -11.675 21.206 783 HD3 LYS 92 2HD LYS 92 -6.430 -12.812 21.211 784 HE2 LYS 92 1HE LYS 92 -4.546 -13.611 22.641 785 HE3 LYS 92 2HE LYS 92 -4.929 -14.722 21.311 786 HZ1 LYS 92 3HZ LYS 92 -2.717 -12.755 21.232 787 HZ2 LYS 92 1HZ LYS 92 -3.052 -13.892 20.080 788 HZ3 LYS 92 2HZ LYS 92 -2.535 -14.358 21.575 789 H LYS 93 H LYS 93 -6.937 -12.250 14.834 790 HA LYS 93 HA LYS 93 -8.729 -10.053 14.637 791 HB2 LYS 93 1HB LYS 93 -9.213 -10.937 12.360 792 HB3 LYS 93 2HB LYS 93 -7.482 -10.903 12.722 793 HG2 LYS 93 1HG LYS 93 -7.620 -13.331 13.315 794 HG3 LYS 93 2HG LYS 93 -9.288 -13.347 12.745 795 HD2 LYS 93 1HD LYS 93 -8.681 -13.352 10.566 796 HD3 LYS 93 2HD LYS 93 -7.275 -12.298 10.833 797 HE2 LYS 93 1HE LYS 93 -6.732 -14.719 10.185 798 HE3 LYS 93 2HE LYS 93 -5.929 -14.086 11.624 799 HZ1 LYS 93 3HZ LYS 93 -6.743 -16.305 12.042 800 HZ2 LYS 93 1HZ LYS 93 -8.288 -15.888 11.648 801 HZ3 LYS 93 2HZ LYS 93 -7.586 -15.257 13.001 802 H GLU 94 H GLU 94 -9.380 -13.520 15.195 803 HA GLU 94 HA GLU 94 -12.158 -13.410 14.599 804 HB2 GLU 94 1HB GLU 94 -12.230 -15.505 16.080 805 HB3 GLU 94 2HB GLU 94 -11.243 -15.540 14.621 806 HG2 GLU 94 1HG GLU 94 -9.772 -14.710 17.058 807 HG3 GLU 94 2HG GLU 94 -10.415 -16.360 17.095 808 H VAL 95 H VAL 95 -10.540 -12.178 17.418 809 HA VAL 95 HA VAL 95 -13.214 -12.027 18.767 810 HB VAL 95 HB VAL 95 -11.998 -11.719 20.903 811 HG11 VAL 95 1HG1 VAL 95 -11.148 -14.255 19.428 812 HG12 VAL 95 2HG1 VAL 95 -11.297 -14.045 21.189 813 HG13 VAL 95 3HG1 VAL 95 -12.744 -13.979 20.163 814 HG21 VAL 95 3HG2 VAL 95 -9.874 -10.794 19.940 815 HG22 VAL 95 1HG2 VAL 95 -9.608 -12.123 21.083 816 HG23 VAL 95 2HG2 VAL 95 -9.480 -12.421 19.337 817 H ASN 96 H ASN 96 -11.494 -10.325 16.714 818 HA ASN 96 HA ASN 96 -12.292 -7.755 17.995 819 HB2 ASN 96 1HB ASN 96 -9.804 -8.149 18.195 820 HB3 ASN 96 2HB ASN 96 -9.713 -8.091 16.431 821 HD21 ASN 96 2HD2 ASN 96 -8.539 -6.347 18.459 822 HD22 ASN 96 1HD2 ASN 96 -9.124 -4.738 18.103 823 HA PRO 97 HA PRO 97 -13.962 -8.350 13.797 824 HB2 PRO 97 1HB PRO 97 -16.315 -6.979 14.085 825 HB3 PRO 97 2HB PRO 97 -16.094 -8.672 14.635 826 HG2 PRO 97 1HG PRO 97 -15.853 -6.132 16.240 827 HG3 PRO 97 2HG PRO 97 -16.826 -7.598 16.592 828 HD2 PRO 97 1HD PRO 97 -14.412 -7.251 17.717 829 HD3 PRO 97 2HD PRO 97 -14.913 -8.874 17.122 830 H GLN 98 H GLN 98 -13.363 -5.401 15.631 831 HA GLN 98 HA GLN 98 -13.947 -3.544 13.532 832 HB2 GLN 98 1HB GLN 98 -13.267 -3.308 16.166 833 HB3 GLN 98 2HB GLN 98 -11.708 -2.925 15.417 834 HG2 GLN 98 1HG GLN 98 -12.941 -0.885 15.812 835 HG3 GLN 98 2HG GLN 98 -12.814 -1.165 14.067 836 HE21 GLN 98 2HE2 GLN 98 -14.994 -1.517 16.864 837 HE22 GLN 98 1HE2 GLN 98 -16.467 -1.404 15.935 838 H VAL 99 H VAL 99 -11.002 -5.289 14.552 839 HA VAL 99 HA VAL 99 -9.530 -4.078 12.340 840 HB VAL 99 HB VAL 99 -7.571 -5.199 13.165 841 HG11 VAL 99 1HG1 VAL 99 -8.340 -3.199 14.406 842 HG12 VAL 99 2HG1 VAL 99 -9.250 -4.236 15.520 843 HG13 VAL 99 3HG1 VAL 99 -7.484 -4.326 15.471 844 HG21 VAL 99 3HG2 VAL 99 -9.435 -6.842 14.815 845 HG22 VAL 99 1HG2 VAL 99 -8.269 -7.391 13.605 846 HG23 VAL 99 2HG2 VAL 99 -7.699 -6.728 15.146 847 H MET 100 H MET 100 -11.224 -7.102 13.005 848 HA MET 100 HA MET 100 -10.078 -8.640 10.897 849 HB2 MET 100 1HB MET 100 -11.502 -9.520 12.723 850 HB3 MET 100 2HB MET 100 -12.902 -8.722 12.012 851 HG2 MET 100 1HG MET 100 -11.346 -10.593 10.284 852 HG3 MET 100 2HG MET 100 -12.343 -11.285 11.581 853 HE1 MET 100 3HE MET 100 -13.961 -10.834 7.639 854 HE2 MET 100 1HE MET 100 -12.292 -10.332 7.996 855 HE3 MET 100 2HE MET 100 -12.866 -11.942 8.500 856 H ALA 101 H ALA 101 -12.762 -6.283 10.956 857 HA ALA 101 HA ALA 101 -13.588 -6.660 8.255 858 HB1 ALA 101 3HB ALA 101 -14.539 -4.378 8.478 859 HB2 ALA 101 1HB ALA 101 -14.880 -5.361 9.921 860 HB3 ALA 101 2HB ALA 101 -13.598 -4.129 9.969 861 H ALA 102 H ALA 102 -10.859 -4.890 9.684 862 HA ALA 102 HA ALA 102 -10.217 -3.517 7.197 863 HB1 ALA 102 3HB ALA 102 -9.659 -2.540 9.411 864 HB2 ALA 102 1HB ALA 102 -8.552 -3.896 9.724 865 HB3 ALA 102 2HB ALA 102 -8.215 -2.762 8.398 866 H VAL 103 H VAL 103 -9.259 -6.551 8.832 867 HA VAL 103 HA VAL 103 -7.005 -7.163 7.174 868 HB VAL 103 HB VAL 103 -9.042 -9.085 8.445 869 HG11 VAL 103 1HG1 VAL 103 -7.819 -10.260 6.689 870 HG12 VAL 103 2HG1 VAL 103 -6.273 -9.641 7.308 871 HG13 VAL 103 3HG1 VAL 103 -7.221 -10.796 8.272 872 HG21 VAL 103 3HG2 VAL 103 -6.271 -8.400 9.484 873 HG22 VAL 103 1HG2 VAL 103 -7.732 -7.557 10.022 874 HG23 VAL 103 2HG2 VAL 103 -7.565 -9.295 10.309 875 H ALA 104 H ALA 104 -10.494 -7.922 6.865 876 HA ALA 104 HA ALA 104 -10.261 -9.227 4.338 877 HB1 ALA 104 3HB ALA 104 -12.618 -7.728 5.575 878 HB2 ALA 104 1HB ALA 104 -12.713 -8.837 4.185 879 HB3 ALA 104 2HB ALA 104 -12.238 -9.453 5.784 880 H GLN 105 H GLN 105 -10.928 -5.789 5.187 881 HA GLN 105 HA GLN 105 -11.326 -4.948 2.484 882 HB2 GLN 105 1HB GLN 105 -10.525 -3.529 5.024 883 HB3 GLN 105 2HB GLN 105 -10.452 -2.697 3.463 884 HG2 GLN 105 1HG GLN 105 -12.863 -3.346 3.098 885 HG3 GLN 105 2HG GLN 105 -12.902 -3.861 4.791 886 HE21 GLN 105 2HE2 GLN 105 -13.189 -2.340 6.348 887 HE22 GLN 105 1HE2 GLN 105 -13.246 -0.616 6.039 888 H THR 106 H THR 106 -8.305 -5.304 4.417 889 HA THR 106 HA THR 106 -6.699 -3.861 2.542 890 HB THR 106 HB THR 106 -5.698 -6.202 4.213 891 HG1 THR 106 HG1 THR 106 -6.849 -4.754 5.552 892 HG21 THR 106 1HG2 THR 106 -4.416 -3.602 3.286 893 HG22 THR 106 2HG2 THR 106 -4.100 -5.207 2.591 894 HG23 THR 106 3HG2 THR 106 -3.635 -4.854 4.264 895 H GLU 107 H GLU 107 -7.582 -7.351 2.802 896 HA GLU 107 HA GLU 107 -5.991 -8.206 0.585 897 HB2 GLU 107 1HB GLU 107 -8.664 -9.249 1.603 898 HB3 GLU 107 2HB GLU 107 -7.723 -10.001 0.316 899 HG2 GLU 107 1HG GLU 107 -5.825 -10.218 1.969 900 HG3 GLU 107 2HG GLU 107 -6.977 -9.745 3.228 901 H GLU 108 H GLU 108 -9.356 -6.958 0.760 902 HA GLU 108 HA GLU 108 -9.899 -7.400 -2.015 903 HB2 GLU 108 1HB GLU 108 -11.103 -5.561 0.067 904 HB3 GLU 108 2HB GLU 108 -11.709 -5.641 -1.590 905 HG2 GLU 108 1HG GLU 108 -11.574 -7.975 0.350 906 HG3 GLU 108 2HG GLU 108 -13.026 -7.052 -0.068 907 H ILE 109 H ILE 109 -8.576 -4.567 -0.281 908 HA ILE 109 HA ILE 109 -8.674 -2.831 -2.581 909 HB ILE 109 HB ILE 109 -6.960 -2.779 -0.053 910 HG12 ILE 109 1HG1 ILE 109 -9.230 -0.943 -0.899 911 HG13 ILE 109 2HG1 ILE 109 -9.524 -2.442 -0.022 912 HG21 ILE 109 1HG2 ILE 109 -5.698 -1.567 -1.783 913 HG22 ILE 109 2HG2 ILE 109 -7.157 -0.685 -2.290 914 HG23 ILE 109 3HG2 ILE 109 -6.431 -0.379 -0.698 915 HD11 ILE 109 3HD1 ILE 109 -7.931 -0.061 0.978 916 HD12 ILE 109 1HD1 ILE 109 -9.519 -0.620 1.543 917 HD13 ILE 109 2HD1 ILE 109 -8.077 -1.615 1.835 918 H LEU 110 H LEU 110 -6.171 -5.034 -1.255 919 HA LEU 110 HA LEU 110 -4.182 -4.378 -3.228 920 HB2 LEU 110 1HB LEU 110 -4.711 -6.636 -1.326 921 HB3 LEU 110 2HB LEU 110 -3.559 -6.909 -2.619 922 HG LEU 110 HG LEU 110 -1.984 -5.458 -1.749 923 HD11 LEU 110 1HD1 LEU 110 -3.271 -3.421 -1.341 924 HD12 LEU 110 2HD1 LEU 110 -2.345 -3.845 0.108 925 HD13 LEU 110 3HD1 LEU 110 -4.089 -4.179 0.044 926 HD21 LEU 110 3HD2 LEU 110 -1.729 -6.170 0.587 927 HD22 LEU 110 1HD2 LEU 110 -2.356 -7.504 -0.403 928 HD23 LEU 110 2HD2 LEU 110 -3.455 -6.596 0.662 929 H LYS 111 H LYS 111 -6.754 -6.861 -3.090 930 HA LYS 111 HA LYS 111 -6.017 -8.169 -5.534 931 HB2 LYS 111 1HB LYS 111 -8.412 -8.087 -3.754 932 HB3 LYS 111 2HB LYS 111 -8.573 -8.821 -5.348 933 HG2 LYS 111 1HG LYS 111 -6.984 -10.493 -4.893 934 HG3 LYS 111 2HG LYS 111 -6.284 -9.585 -3.540 935 HD2 LYS 111 1HD LYS 111 -8.306 -9.922 -2.235 936 HD3 LYS 111 2HD LYS 111 -9.040 -10.826 -3.575 937 HE2 LYS 111 1HE LYS 111 -7.500 -12.611 -3.365 938 HE3 LYS 111 2HE LYS 111 -6.354 -11.624 -2.446 939 HZ1 LYS 111 3HZ LYS 111 -7.876 -11.666 -0.573 940 HZ2 LYS 111 1HZ LYS 111 -7.468 -13.189 -1.020 941 HZ3 LYS 111 2HZ LYS 111 -8.952 -12.589 -1.416 942 H SER 112 H SER 112 -7.890 -5.290 -4.900 943 HA SER 112 HA SER 112 -9.050 -5.190 -7.596 944 HB2 SER 112 1HB SER 112 -10.117 -4.310 -5.473 945 HB3 SER 112 2HB SER 112 -8.920 -3.010 -5.492 946 HG SER 112 HG SER 112 -9.702 -2.654 -7.735 947 H ASN 113 H ASN 113 -6.100 -4.233 -6.110 948 HA ASN 113 HA ASN 113 -5.833 -1.727 -7.509 949 HB2 ASN 113 1HB ASN 113 -4.713 -2.852 -5.268 950 HB3 ASN 113 2HB ASN 113 -3.371 -2.888 -6.407 951 HD21 ASN 113 2HD2 ASN 113 -5.213 -1.003 -4.285 952 HD22 ASN 113 1HD2 ASN 113 -4.559 0.563 -4.724 953 H SER 114 H SER 114 -4.258 -0.999 -8.930 954 HA SER 114 HA SER 114 -3.368 -2.995 -10.923 955 HB2 SER 114 1HB SER 114 -2.739 -0.975 -12.221 956 HB3 SER 114 2HB SER 114 -4.438 -0.923 -11.699 957 HG SER 114 HG SER 114 -2.242 0.573 -10.802 958 H GLN 115 H GLN 115 -2.275 -1.930 -8.046 959 HA GLN 115 HA GLN 115 0.603 -1.775 -8.804 960 HB2 GLN 115 1HB GLN 115 -0.835 -1.408 -6.144 961 HB3 GLN 115 2HB GLN 115 0.909 -1.258 -6.377 962 HG2 GLN 115 1HG GLN 115 0.574 0.657 -7.863 963 HG3 GLN 115 2HG GLN 115 -1.180 0.501 -7.689 964 HE21 GLN 115 2HE2 GLN 115 -2.093 1.775 -6.234 965 HE22 GLN 115 1HE2 GLN 115 -1.303 2.443 -4.828 966 H THR 116 H THR 116 -1.297 -4.179 -8.879 967 HA THR 116 HA THR 116 0.296 -6.002 -7.139 968 HB THR 116 HB THR 116 -2.673 -6.301 -7.794 969 HG1 THR 116 HG1 THR 116 -3.075 -5.476 -5.767 970 HG21 THR 116 1HG2 THR 116 -2.612 -7.842 -5.827 971 HG22 THR 116 2HG2 THR 116 -0.852 -7.625 -5.737 972 HG23 THR 116 3HG2 THR 116 -1.586 -8.404 -7.164 973 H ASP 117 H ASP 117 0.692 -8.065 -8.130 974 HA ASP 117 HA ASP 117 0.949 -7.849 -10.996 975 HB2 ASP 117 1HB ASP 117 2.627 -8.847 -9.384 976 HB3 ASP 117 2HB ASP 117 1.521 -10.215 -9.186 977 H LEU 118 H LEU 118 -0.046 -8.900 -12.545 978 HA LEU 118 HA LEU 118 -1.623 -9.942 -13.737 979 HB2 LEU 118 1HB LEU 118 -2.038 -11.956 -11.636 980 HB3 LEU 118 2HB LEU 118 -2.016 -12.165 -13.359 981 HG LEU 118 HG LEU 118 0.445 -11.689 -11.649 982 HD11 LEU 118 1HD1 LEU 118 0.877 -14.095 -11.961 983 HD12 LEU 118 2HD1 LEU 118 -0.694 -14.276 -12.778 984 HD13 LEU 118 3HD1 LEU 118 -0.620 -13.804 -11.059 985 HD21 LEU 118 3HD2 LEU 118 1.673 -12.485 -13.637 986 HD22 LEU 118 1HD2 LEU 118 0.747 -11.027 -14.010 987 HD23 LEU 118 2HD2 LEU 118 0.145 -12.617 -14.546 988 H GLU 119 H GLU 119 -3.513 -9.286 -14.209 989 HA GLU 119 HA GLU 119 -5.409 -8.275 -12.333 990 HB2 GLU 119 1HB GLU 119 -5.818 -9.149 -15.214 991 HB3 GLU 119 2HB GLU 119 -6.907 -8.108 -14.289 992 HG2 GLU 119 1HG GLU 119 -5.111 -6.408 -14.130 993 HG3 GLU 119 2HG GLU 119 -4.063 -7.450 -15.115 994 H HIS 120 H HIS 120 -5.260 -11.324 -14.133 995 HA HIS 120 HA HIS 120 -6.587 -13.205 -14.182 996 HB2 HIS 120 1HB HIS 120 -7.515 -12.445 -11.381 997 HB3 HIS 120 2HB HIS 120 -7.604 -14.036 -12.140 998 HD1 HIS 120 HD1 HIS 120 -5.107 -11.611 -10.557 999 HD2 HIS 120 HD2 HIS 120 -5.241 -15.548 -12.023 1000 HE1 HIS 120 HE1 HIS 120 -2.983 -12.761 -9.780 1001 H HIS 121 H HIS 121 -9.300 -13.471 -12.961 1002 HA HIS 121 HA HIS 121 -10.720 -11.146 -14.140 1003 HB2 HIS 121 1HB HIS 121 -10.425 -13.023 -15.853 1004 HB3 HIS 121 2HB HIS 121 -11.537 -13.975 -14.865 1005 HD1 HIS 121 HD1 HIS 121 -11.385 -10.717 -16.891 1006 HD2 HIS 121 HD2 HIS 121 -14.219 -13.358 -15.271 1007 HE1 HIS 121 HE1 HIS 121 -13.666 -10.009 -17.796 1008 H HIS 122 H HIS 122 -10.853 -10.828 -11.768 1009 HA HIS 122 HA HIS 122 -13.158 -12.362 -10.632 1010 HB2 HIS 122 1HB HIS 122 -12.116 -12.392 -8.456 1011 HB3 HIS 122 2HB HIS 122 -11.002 -13.110 -9.618 1012 HD1 HIS 122 HD1 HIS 122 -9.996 -11.998 -6.866 1013 HD2 HIS 122 HD2 HIS 122 -10.017 -9.768 -10.448 1014 HE1 HIS 122 HE1 HIS 122 -8.214 -10.192 -6.666 1015 H HIS 123 H HIS 123 -14.106 -11.159 -8.695 1016 HA HIS 123 HA HIS 123 -14.019 -8.196 -9.189 1017 HB2 HIS 123 1HB HIS 123 -16.368 -9.987 -8.489 1018 HB3 HIS 123 2HB HIS 123 -16.365 -8.256 -8.130 1019 HD1 HIS 123 HD1 HIS 123 -15.457 -6.813 -10.523 1020 HD2 HIS 123 HD2 HIS 123 -17.709 -10.340 -10.852 1021 HE1 HIS 123 HE1 HIS 123 -16.569 -6.774 -12.816 1022 H HIS 124 H HIS 124 -14.545 -10.777 -6.765 1023 HA HIS 124 HA HIS 124 -13.130 -9.099 -4.781 1024 HB2 HIS 124 1HB HIS 124 -15.832 -10.455 -4.332 1025 HB3 HIS 124 2HB HIS 124 -14.784 -9.842 -3.045 1026 HD1 HIS 124 HD1 HIS 124 -14.048 -7.124 -3.549 1027 HD2 HIS 124 HD2 HIS 124 -17.754 -8.572 -4.904 1028 HE1 HIS 124 HE1 HIS 124 -15.558 -5.092 -3.944 1029 H HIS 125 H HIS 125 -12.306 -10.481 -3.062 1030 HA HIS 125 HA HIS 125 -11.045 -12.258 -2.448 1031 HB2 HIS 125 1HB HIS 125 -13.607 -12.919 -2.200 1032 HB3 HIS 125 2HB HIS 125 -13.151 -14.178 -3.351 1033 HD1 HIS 125 HD1 HIS 125 -12.194 -12.836 0.120 1034 HD2 HIS 125 HD2 HIS 125 -11.777 -16.299 -2.208 1035 HE1 HIS 125 HE1 HIS 125 -11.184 -14.626 1.633 Start of MODEL 18 1 H21 MYR 1 1H2 MYR 1 0.479 0.653 -1.099 2 H22 MYR 1 2H2 MYR 1 1.909 0.350 -0.119 3 H31 MYR 1 1H3 MYR 1 -0.668 -1.331 0.111 4 H32 MYR 1 2H3 MYR 1 0.625 -1.743 -1.015 5 H41 MYR 1 1H4 MYR 1 2.251 -1.906 0.893 6 H42 MYR 1 2H4 MYR 1 0.977 -1.489 2.031 7 H51 MYR 1 1H5 MYR 1 -0.264 -3.533 1.531 8 H52 MYR 1 2H5 MYR 1 0.853 -3.971 0.239 9 H61 MYR 1 1H6 MYR 1 2.516 -4.699 1.675 10 H62 MYR 1 2H6 MYR 1 2.192 -3.491 2.898 11 H71 MYR 1 1H7 MYR 1 0.292 -5.843 2.450 12 H72 MYR 1 2H7 MYR 1 1.717 -5.972 3.473 13 H81 MYR 1 1H8 MYR 1 0.878 -4.101 4.930 14 H82 MYR 1 2H8 MYR 1 -0.567 -3.960 3.925 15 H91 MYR 1 1H9 MYR 1 0.249 -6.510 5.433 16 H92 MYR 1 2H9 MYR 1 -1.212 -6.307 4.476 17 H101 MYR 1 1H10 MYR 1 -2.039 -4.555 6.030 18 H102 MYR 1 2H10 MYR 1 -0.553 -4.651 6.979 19 H111 MYR 1 1H11 MYR 1 -2.345 -7.111 6.558 20 H112 MYR 1 2H11 MYR 1 -1.026 -6.927 7.702 21 H121 MYR 1 1H12 MYR 1 -2.948 -6.696 9.050 22 H122 MYR 1 2H12 MYR 1 -2.454 -5.029 8.804 23 H131 MYR 1 1H13 MYR 1 -4.185 -4.777 7.009 24 H132 MYR 1 2H13 MYR 1 -4.639 -6.467 7.174 25 H141 MYR 1 1H14 MYR 1 -5.366 -6.044 9.541 26 H142 MYR 1 2H14 MYR 1 -4.926 -4.332 9.362 27 H143 MYR 1 3H14 MYR 1 -6.235 -5.020 8.391 28 H GLY 2 H GLY 2 1.874 0.824 2.074 29 HA2 GLY 2 1HA GLY 2 -0.353 1.381 3.709 30 HA3 GLY 2 2HA GLY 2 1.302 1.927 4.015 31 H GLN 3 H GLN 3 1.534 3.493 1.592 32 HA GLN 3 HA GLN 3 0.357 5.930 2.575 33 HB2 GLN 3 1HB GLN 3 1.696 5.287 -0.067 34 HB3 GLN 3 2HB GLN 3 1.226 6.912 0.463 35 HG2 GLN 3 1HG GLN 3 2.673 6.621 2.487 36 HG3 GLN 3 2HG GLN 3 3.222 5.078 1.829 37 HE21 GLN 3 2HE2 GLN 3 4.983 5.078 0.595 38 HE22 GLN 3 1HE2 GLN 3 5.657 6.509 -0.169 39 H GLU 4 H GLU 4 -0.792 3.533 0.182 40 HA GLU 4 HA GLU 4 -2.928 5.289 -0.761 41 HB2 GLU 4 1HB GLU 4 -2.257 3.358 -2.129 42 HB3 GLU 4 2HB GLU 4 -2.645 2.253 -0.793 43 HG2 GLU 4 1HG GLU 4 -5.001 3.084 -0.855 44 HG3 GLU 4 2HG GLU 4 -4.565 4.034 -2.256 45 H LEU 5 H LEU 5 -2.535 2.657 1.595 46 HA LEU 5 HA LEU 5 -5.207 2.357 2.348 47 HB2 LEU 5 1HB LEU 5 -2.737 2.099 4.072 48 HB3 LEU 5 2HB LEU 5 -4.326 1.518 4.526 49 HG LEU 5 HG LEU 5 -2.679 0.479 2.206 50 HD11 LEU 5 1HD1 LEU 5 -1.746 -0.100 4.422 51 HD12 LEU 5 2HD1 LEU 5 -2.383 -1.523 3.581 52 HD13 LEU 5 3HD1 LEU 5 -3.317 -0.779 4.899 53 HD21 LEU 5 3HD2 LEU 5 -5.027 0.225 1.725 54 HD22 LEU 5 1HD2 LEU 5 -5.323 -0.459 3.340 55 HD23 LEU 5 2HD2 LEU 5 -4.342 -1.350 2.154 56 H SER 6 H SER 6 -2.924 4.827 3.558 57 HA SER 6 HA SER 6 -4.747 5.819 5.569 58 HB2 SER 6 1HB SER 6 -3.208 7.739 5.657 59 HB3 SER 6 2HB SER 6 -2.326 6.198 5.664 60 HG SER 6 HG SER 6 -1.291 7.290 4.132 61 H GLN 7 H GLN 7 -4.668 6.239 2.130 62 HA GLN 7 HA GLN 7 -6.348 8.712 2.273 63 HB2 GLN 7 1HB GLN 7 -5.131 7.227 -0.085 64 HB3 GLN 7 2HB GLN 7 -6.023 8.747 -0.181 65 HG2 GLN 7 1HG GLN 7 -4.275 9.879 1.105 66 HG3 GLN 7 2HG GLN 7 -3.402 8.350 1.292 67 HE21 GLN 7 2HE2 GLN 7 -2.089 7.634 -0.285 68 HE22 GLN 7 1HE2 GLN 7 -1.870 8.449 -1.823 69 H HIS 8 H HIS 8 -6.479 5.307 1.896 70 HA HIS 8 HA HIS 8 -8.812 5.133 0.163 71 HB2 HIS 8 1HB HIS 8 -6.885 3.436 0.633 72 HB3 HIS 8 2HB HIS 8 -7.773 2.979 2.058 73 HD1 HIS 8 HD1 HIS 8 -7.407 2.238 -1.537 74 HD2 HIS 8 HD2 HIS 8 -10.473 1.913 1.338 75 HE1 HIS 8 HE1 HIS 8 -9.155 0.653 -2.475 76 H GLU 9 H GLU 9 -10.264 6.619 1.341 77 HA GLU 9 HA GLU 9 -10.710 6.626 4.031 78 HB2 GLU 9 1HB GLU 9 -12.253 7.469 1.691 79 HB3 GLU 9 2HB GLU 9 -13.232 7.198 3.139 80 HG2 GLU 9 1HG GLU 9 -10.750 8.951 3.048 81 HG3 GLU 9 2HG GLU 9 -12.408 9.553 2.895 82 H ARG 10 H ARG 10 -12.195 4.186 1.899 83 HA ARG 10 HA ARG 10 -14.114 3.307 3.879 84 HB2 ARG 10 1HB ARG 10 -13.161 2.424 1.260 85 HB3 ARG 10 2HB ARG 10 -13.419 1.059 2.353 86 HG2 ARG 10 1HG ARG 10 -15.472 1.400 1.189 87 HG3 ARG 10 2HG ARG 10 -15.708 1.975 2.849 88 HD2 ARG 10 1HD ARG 10 -14.851 4.271 1.603 89 HD3 ARG 10 2HD ARG 10 -15.751 3.484 0.296 90 HE ARG 10 HE ARG 10 -16.779 4.375 2.957 91 HH11 ARG 10 1HH1 ARG 10 -17.538 3.027 -0.244 92 HH12 ARG 10 2HH1 ARG 10 -19.249 3.283 -0.043 93 HH21 ARG 10 1HH2 ARG 10 -18.951 4.639 3.132 94 HH22 ARG 10 2HH2 ARG 10 -20.039 4.188 1.843 95 H TYR 11 H TYR 11 -10.721 2.645 3.373 96 HA TYR 11 HA TYR 11 -10.587 0.411 5.254 97 HB2 TYR 11 1HB TYR 11 -9.055 0.879 3.252 98 HB3 TYR 11 2HB TYR 11 -8.366 2.206 4.189 99 HD1 TYR 11 HD1 TYR 11 -8.914 -1.470 4.183 100 HD2 TYR 11 HD2 TYR 11 -6.630 1.802 5.771 101 HE1 TYR 11 HE1 TYR 11 -7.329 -3.065 5.183 102 HE2 TYR 11 HE2 TYR 11 -5.019 0.173 6.779 103 HH TYR 11 HH TYR 11 -5.335 -3.345 6.248 104 H VAL 12 H VAL 12 -9.795 3.866 5.064 105 HA VAL 12 HA VAL 12 -8.786 4.203 7.689 106 HB VAL 12 HB VAL 12 -10.211 6.234 5.932 107 HG11 VAL 12 1HG1 VAL 12 -8.876 7.911 7.154 108 HG12 VAL 12 2HG1 VAL 12 -9.993 7.048 8.213 109 HG13 VAL 12 3HG1 VAL 12 -8.275 6.632 8.233 110 HG21 VAL 12 3HG2 VAL 12 -7.986 6.860 5.151 111 HG22 VAL 12 1HG2 VAL 12 -7.235 5.641 6.207 112 HG23 VAL 12 2HG2 VAL 12 -8.235 5.141 4.838 113 H GLU 13 H GLU 13 -12.176 4.135 6.525 114 HA GLU 13 HA GLU 13 -13.464 5.230 8.779 115 HB2 GLU 13 1HB GLU 13 -14.199 3.088 6.803 116 HB3 GLU 13 2HB GLU 13 -15.261 3.412 8.173 117 HG2 GLU 13 1HG GLU 13 -15.638 5.675 7.474 118 HG3 GLU 13 2HG GLU 13 -14.362 5.585 6.259 119 H GLN 14 H GLN 14 -12.394 1.840 8.302 120 HA GLN 14 HA GLN 14 -13.205 1.096 11.014 121 HB2 GLN 14 1HB GLN 14 -11.448 -0.287 8.950 122 HB3 GLN 14 2HB GLN 14 -11.950 -1.000 10.488 123 HG2 GLN 14 1HG GLN 14 -13.823 -0.122 8.263 124 HG3 GLN 14 2HG GLN 14 -13.329 -1.785 8.605 125 HE21 GLN 14 2HE2 GLN 14 -13.897 -2.672 10.736 126 HE22 GLN 14 1HE2 GLN 14 -15.382 -2.129 11.481 127 H LEU 15 H LEU 15 -10.168 1.983 9.347 128 HA LEU 15 HA LEU 15 -8.479 1.308 11.553 129 HB2 LEU 15 1HB LEU 15 -8.239 2.780 9.011 130 HB3 LEU 15 2HB LEU 15 -7.083 3.232 10.241 131 HG LEU 15 HG LEU 15 -6.337 1.537 8.534 132 HD11 LEU 15 1HD1 LEU 15 -5.119 1.978 10.580 133 HD12 LEU 15 2HD1 LEU 15 -5.052 0.250 10.182 134 HD13 LEU 15 3HD1 LEU 15 -6.135 0.819 11.474 135 HD21 LEU 15 3HD2 LEU 15 -7.994 -0.401 10.200 136 HD22 LEU 15 1HD2 LEU 15 -6.875 -0.807 8.882 137 HD23 LEU 15 2HD2 LEU 15 -8.358 0.097 8.530 138 H LYS 16 H LYS 16 -10.434 4.174 10.955 139 HA LYS 16 HA LYS 16 -9.038 5.943 12.761 140 HB2 LYS 16 1HB LYS 16 -11.838 5.794 11.635 141 HB3 LYS 16 2HB LYS 16 -11.508 6.896 12.979 142 HG2 LYS 16 1HG LYS 16 -9.776 8.036 11.689 143 HG3 LYS 16 2HG LYS 16 -9.997 6.923 10.344 144 HD2 LYS 16 1HD LYS 16 -12.262 8.688 11.365 145 HD3 LYS 16 2HD LYS 16 -11.095 9.258 10.164 146 HE2 LYS 16 1HE LYS 16 -12.035 6.720 9.255 147 HE3 LYS 16 2HE LYS 16 -13.457 7.637 9.763 148 HZ1 LYS 16 3HZ LYS 16 -12.956 8.060 7.427 149 HZ2 LYS 16 1HZ LYS 16 -11.427 8.544 7.770 150 HZ3 LYS 16 2HZ LYS 16 -12.710 9.446 8.274 151 H GLN 17 H GLN 17 -11.499 3.447 13.163 152 HA GLN 17 HA GLN 17 -11.806 3.989 16.014 153 HB2 GLN 17 1HB GLN 17 -12.625 1.592 14.342 154 HB3 GLN 17 2HB GLN 17 -13.201 1.967 15.969 155 HG2 GLN 17 1HG GLN 17 -14.262 4.034 15.103 156 HG3 GLN 17 2HG GLN 17 -13.669 3.659 13.478 157 HE21 GLN 17 2HE2 GLN 17 -15.024 2.674 12.162 158 HE22 GLN 17 1HE2 GLN 17 -16.395 1.714 12.663 159 H ALA 18 H ALA 18 -10.049 1.699 13.914 160 HA ALA 18 HA ALA 18 -9.140 0.004 15.999 161 HB1 ALA 18 3HB ALA 18 -7.759 0.543 13.354 162 HB2 ALA 18 1HB ALA 18 -7.614 -0.905 14.373 163 HB3 ALA 18 2HB ALA 18 -9.159 -0.542 13.566 164 H LEU 19 H LEU 19 -7.478 2.879 14.516 165 HA LEU 19 HA LEU 19 -5.067 2.576 16.049 166 HB2 LEU 19 1HB LEU 19 -6.398 4.810 14.565 167 HB3 LEU 19 2HB LEU 19 -5.314 5.285 15.860 168 HG LEU 19 HG LEU 19 -3.518 3.850 14.712 169 HD11 LEU 19 1HD1 LEU 19 -5.521 4.107 12.440 170 HD12 LEU 19 2HD1 LEU 19 -4.826 2.612 13.110 171 HD13 LEU 19 3HD1 LEU 19 -3.793 3.752 12.211 172 HD21 LEU 19 3HD2 LEU 19 -2.930 5.702 13.173 173 HD22 LEU 19 1HD2 LEU 19 -3.479 6.305 14.756 174 HD23 LEU 19 2HD2 LEU 19 -4.574 6.364 13.355 175 H LYS 20 H LYS 20 -8.168 4.206 16.700 176 HA LYS 20 HA LYS 20 -7.387 5.385 19.181 177 HB2 LYS 20 1HB LYS 20 -9.392 6.035 17.840 178 HB3 LYS 20 2HB LYS 20 -10.150 4.497 18.266 179 HG2 LYS 20 1HG LYS 20 -10.020 5.145 20.680 180 HG3 LYS 20 2HG LYS 20 -9.405 6.733 20.181 181 HD2 LYS 20 1HD LYS 20 -11.480 7.115 18.890 182 HD3 LYS 20 2HD LYS 20 -12.073 5.512 19.377 183 HE2 LYS 20 1HE LYS 20 -11.925 6.215 21.768 184 HE3 LYS 20 2HE LYS 20 -11.434 7.837 21.240 185 HZ1 LYS 20 3HZ LYS 20 -13.563 8.033 20.094 186 HZ2 LYS 20 1HZ LYS 20 -13.805 7.727 21.696 187 HZ3 LYS 20 2HZ LYS 20 -14.015 6.525 20.587 188 H THR 21 H THR 21 -9.131 2.273 18.539 189 HA THR 21 HA THR 21 -9.336 1.767 21.378 190 HB THR 21 HB THR 21 -10.894 0.842 19.572 191 HG1 THR 21 HG1 THR 21 -9.724 -0.820 21.567 192 HG21 THR 21 1HG2 THR 21 -8.787 -1.342 19.369 193 HG22 THR 21 2HG2 THR 21 -9.066 -0.109 18.117 194 HG23 THR 21 3HG2 THR 21 -10.352 -1.255 18.535 195 H ARG 22 H ARG 22 -6.804 1.226 19.066 196 HA ARG 22 HA ARG 22 -5.463 -0.855 20.601 197 HB2 ARG 22 1HB ARG 22 -5.151 -0.303 18.127 198 HB3 ARG 22 2HB ARG 22 -4.268 1.124 18.643 199 HG2 ARG 22 1HG ARG 22 -2.625 -0.477 18.118 200 HG3 ARG 22 2HG ARG 22 -2.690 -0.484 19.888 201 HD2 ARG 22 1HD ARG 22 -4.591 -2.339 18.632 202 HD3 ARG 22 2HD ARG 22 -2.912 -2.685 18.214 203 HE ARG 22 HE ARG 22 -4.105 -2.726 20.942 204 HH11 ARG 22 1HH1 ARG 22 -1.331 -3.431 18.880 205 HH12 ARG 22 2HH1 ARG 22 -0.565 -4.433 20.096 206 HH21 ARG 22 1HH2 ARG 22 -3.055 -4.023 22.432 207 HH22 ARG 22 2HH2 ARG 22 -1.541 -4.795 22.020 208 H GLY 23 H GLY 23 -5.781 2.609 20.761 209 HA2 GLY 23 1HA GLY 23 -5.094 4.042 22.442 210 HA3 GLY 23 2HA GLY 23 -4.285 2.687 23.252 211 H VAL 24 H VAL 24 -3.444 2.946 19.962 212 HA VAL 24 HA VAL 24 -0.752 3.720 20.794 213 HB VAL 24 HB VAL 24 -1.065 1.760 19.334 214 HG11 VAL 24 1HG1 VAL 24 -1.874 3.633 17.081 215 HG12 VAL 24 2HG1 VAL 24 -1.771 1.860 17.048 216 HG13 VAL 24 3HG1 VAL 24 -3.024 2.665 18.008 217 HG21 VAL 24 3HG2 VAL 24 0.480 4.014 18.026 218 HG22 VAL 24 1HG2 VAL 24 1.066 2.920 19.296 219 HG23 VAL 24 2HG2 VAL 24 0.686 2.286 17.682 220 H LYS 25 H LYS 25 -0.130 5.723 20.905 221 HA LYS 25 HA LYS 25 -1.745 7.832 19.628 222 HB2 LYS 25 1HB LYS 25 0.682 7.921 21.467 223 HB3 LYS 25 2HB LYS 25 -0.222 9.341 20.919 224 HG2 LYS 25 1HG LYS 25 -2.226 8.572 22.095 225 HG3 LYS 25 2HG LYS 25 -1.427 7.052 22.527 226 HD2 LYS 25 1HD LYS 25 -1.357 8.427 24.470 227 HD3 LYS 25 2HD LYS 25 0.287 8.384 23.808 228 HE2 LYS 25 1HE LYS 25 -0.080 10.602 22.755 229 HE3 LYS 25 2HE LYS 25 -1.733 10.637 23.409 230 HZ1 LYS 25 3HZ LYS 25 -0.194 11.865 24.817 231 HZ2 LYS 25 1HZ LYS 25 0.754 10.532 25.028 232 HZ3 LYS 25 2HZ LYS 25 -0.777 10.558 25.639 233 H VAL 26 H VAL 26 -1.248 7.376 17.433 234 HA VAL 26 HA VAL 26 1.393 8.480 16.569 235 HB VAL 26 HB VAL 26 1.266 6.738 14.651 236 HG11 VAL 26 1HG1 VAL 26 1.788 5.796 17.498 237 HG12 VAL 26 2HG1 VAL 26 2.311 4.947 16.025 238 HG13 VAL 26 3HG1 VAL 26 2.948 6.560 16.389 239 HG21 VAL 26 3HG2 VAL 26 -0.647 5.384 16.599 240 HG22 VAL 26 1HG2 VAL 26 -1.059 6.018 14.994 241 HG23 VAL 26 2HG2 VAL 26 0.055 4.647 15.152 242 H LYS 27 H LYS 27 1.361 9.296 14.381 243 HA LYS 27 HA LYS 27 -1.214 10.556 13.696 244 HB2 LYS 27 1HB LYS 27 1.105 11.621 13.429 245 HB3 LYS 27 2HB LYS 27 1.387 10.498 12.099 246 HG2 LYS 27 1HG LYS 27 -0.504 11.494 10.849 247 HG3 LYS 27 2HG LYS 27 -0.829 12.581 12.217 248 HD2 LYS 27 1HD LYS 27 1.537 13.446 11.981 249 HD3 LYS 27 2HD LYS 27 1.675 12.516 10.481 250 HE2 LYS 27 1HE LYS 27 -0.427 14.667 11.017 251 HE3 LYS 27 2HE LYS 27 1.099 14.950 10.164 252 HZ1 LYS 27 3HZ LYS 27 -1.058 13.136 9.250 253 HZ2 LYS 27 1HZ LYS 27 0.378 13.374 8.469 254 HZ3 LYS 27 2HZ LYS 27 -0.700 14.613 8.614 255 H PHE 28 H PHE 28 -2.428 9.929 11.779 256 HA PHE 28 HA PHE 28 -2.478 7.155 11.207 257 HB2 PHE 28 1HB PHE 28 -3.831 9.560 10.362 258 HB3 PHE 28 2HB PHE 28 -3.376 8.660 8.912 259 HD1 PHE 28 HD2 PHE 28 -4.277 6.428 8.472 260 HD2 PHE 28 HD1 PHE 28 -5.467 8.692 11.928 261 HE1 PHE 28 HE2 PHE 28 -6.206 4.902 8.798 262 HE2 PHE 28 HE1 PHE 28 -7.413 7.191 12.245 263 HZ PHE 28 HZ PHE 28 -7.786 5.306 10.668 264 H ALA 29 H ALA 29 -0.898 9.810 9.408 265 HA ALA 29 HA ALA 29 0.022 8.204 7.255 266 HB1 ALA 29 3HB ALA 29 1.607 10.050 6.840 267 HB2 ALA 29 1HB ALA 29 -0.019 10.678 7.190 268 HB3 ALA 29 2HB ALA 29 1.252 10.734 8.443 269 H ASP 30 H ASP 30 1.305 8.748 10.508 270 HA ASP 30 HA ASP 30 3.915 7.613 9.980 271 HB2 ASP 30 1HB ASP 30 3.381 9.229 11.831 272 HB3 ASP 30 2HB ASP 30 2.410 7.970 12.602 273 H LEU 31 H LEU 31 0.858 6.440 11.488 274 HA LEU 31 HA LEU 31 1.862 3.878 12.127 275 HB2 LEU 31 1HB LEU 31 -0.254 4.896 12.950 276 HB3 LEU 31 2HB LEU 31 -0.981 4.616 11.390 277 HG LEU 31 HG LEU 31 -1.478 3.034 13.399 278 HD11 LEU 31 1HD1 LEU 31 -1.921 1.193 11.897 279 HD12 LEU 31 2HD1 LEU 31 -0.802 1.865 10.692 280 HD13 LEU 31 3HD1 LEU 31 -2.292 2.732 11.108 281 HD21 LEU 31 3HD2 LEU 31 -0.111 1.042 13.564 282 HD22 LEU 31 1HD2 LEU 31 0.877 2.466 13.937 283 HD23 LEU 31 2HD2 LEU 31 1.030 1.663 12.353 284 H LEU 32 H LEU 32 -0.043 4.957 9.313 285 HA LEU 32 HA LEU 32 0.183 2.437 7.962 286 HB2 LEU 32 1HB LEU 32 -0.572 5.207 7.093 287 HB3 LEU 32 2HB LEU 32 -0.260 3.972 5.894 288 HG LEU 32 HG LEU 32 -2.610 4.071 6.233 289 HD11 LEU 32 1HD1 LEU 32 -1.746 1.615 7.789 290 HD12 LEU 32 2HD1 LEU 32 -1.577 1.777 6.024 291 HD13 LEU 32 3HD1 LEU 32 -3.185 1.830 6.770 292 HD21 LEU 32 3HD2 LEU 32 -3.656 3.723 8.397 293 HD22 LEU 32 1HD2 LEU 32 -2.582 5.134 8.396 294 HD23 LEU 32 2HD2 LEU 32 -2.046 3.630 9.159 295 H LYS 33 H LYS 33 2.513 4.996 8.271 296 HA LYS 33 HA LYS 33 3.943 4.364 5.848 297 HB2 LYS 33 1HB LYS 33 4.507 6.384 7.113 298 HB3 LYS 33 2HB LYS 33 5.041 5.406 8.484 299 HG2 LYS 33 1HG LYS 33 6.979 6.204 7.234 300 HG3 LYS 33 2HG LYS 33 6.850 4.446 7.124 301 HD2 LYS 33 1HD LYS 33 5.611 4.863 4.857 302 HD3 LYS 33 2HD LYS 33 6.223 6.516 4.965 303 HE2 LYS 33 1HE LYS 33 8.522 5.671 4.977 304 HE3 LYS 33 2HE LYS 33 7.929 3.996 5.065 305 HZ1 LYS 33 3HZ LYS 33 7.472 5.853 2.793 306 HZ2 LYS 33 1HZ LYS 33 6.879 4.316 2.881 307 HZ3 LYS 33 2HZ LYS 33 8.509 4.572 2.794 308 H PHE 34 H PHE 34 3.787 2.778 9.012 309 HA PHE 34 HA PHE 34 6.005 1.007 8.349 310 HB2 PHE 34 1HB PHE 34 3.967 1.132 10.540 311 HB3 PHE 34 2HB PHE 34 5.013 -0.272 10.357 312 HD1 PHE 34 HD2 PHE 34 5.062 3.440 10.817 313 HD2 PHE 34 HD1 PHE 34 7.304 -0.220 11.037 314 HE1 PHE 34 HE2 PHE 34 6.894 4.655 11.963 315 HE2 PHE 34 HE1 PHE 34 9.155 0.988 12.182 316 HZ PHE 34 HZ PHE 34 8.949 3.428 12.659 317 H PHE 35 H PHE 35 2.566 1.030 7.679 318 HA PHE 35 HA PHE 35 2.443 -1.760 6.782 319 HB2 PHE 35 1HB PHE 35 0.709 0.686 6.252 320 HB3 PHE 35 2HB PHE 35 0.431 -0.860 5.467 321 HD1 PHE 35 HD1 PHE 35 1.105 0.233 9.049 322 HD2 PHE 35 HD2 PHE 35 -1.334 -2.032 6.317 323 HE1 PHE 35 HE1 PHE 35 -0.298 -0.533 10.942 324 HE2 PHE 35 HE2 PHE 35 -2.764 -2.774 8.208 325 HZ PHE 35 HZ PHE 35 -2.247 -2.029 10.527 326 H ASP 36 H ASP 36 3.751 1.217 5.598 327 HA ASP 36 HA ASP 36 3.658 0.450 2.765 328 HB2 ASP 36 1HB ASP 36 3.608 2.826 3.872 329 HB3 ASP 36 2HB ASP 36 5.362 2.632 3.979 330 H PHE 37 H PHE 37 5.914 0.458 5.481 331 HA PHE 37 HA PHE 37 8.320 -0.026 4.051 332 HB2 PHE 37 1HB PHE 37 8.160 0.783 6.376 333 HB3 PHE 37 2HB PHE 37 7.536 -0.788 6.889 334 HD1 PHE 37 HD1 PHE 37 10.513 0.723 5.137 335 HD2 PHE 37 HD2 PHE 37 9.029 -2.383 7.717 336 HE1 PHE 37 HE1 PHE 37 12.846 -0.075 5.510 337 HE2 PHE 37 HE2 PHE 37 11.355 -3.187 8.095 338 HZ PHE 37 HZ PHE 37 13.271 -2.030 6.992 339 H VAL 38 H VAL 38 5.911 -2.329 5.339 340 HA VAL 38 HA VAL 38 7.510 -4.663 5.041 341 HB VAL 38 HB VAL 38 5.625 -5.172 6.277 342 HG11 VAL 38 1HG1 VAL 38 3.984 -3.486 4.383 343 HG12 VAL 38 2HG1 VAL 38 3.302 -4.438 5.715 344 HG13 VAL 38 3HG1 VAL 38 4.426 -3.123 6.071 345 HG21 VAL 38 3HG2 VAL 38 4.485 -5.888 3.535 346 HG22 VAL 38 1HG2 VAL 38 5.733 -6.834 4.382 347 HG23 VAL 38 2HG2 VAL 38 4.117 -6.661 5.091 348 H LYS 39 H LYS 39 5.613 -2.835 2.651 349 HA LYS 39 HA LYS 39 5.522 -4.857 0.664 350 HB2 LYS 39 1HB LYS 39 4.256 -2.679 0.706 351 HB3 LYS 39 2HB LYS 39 5.731 -1.868 0.173 352 HG2 LYS 39 1HG LYS 39 5.742 -3.246 -1.885 353 HG3 LYS 39 2HG LYS 39 4.262 -4.062 -1.349 354 HD2 LYS 39 1HD LYS 39 3.016 -1.973 -1.464 355 HD3 LYS 39 2HD LYS 39 4.499 -1.065 -1.826 356 HE2 LYS 39 1HE LYS 39 4.770 -2.349 -3.928 357 HE3 LYS 39 2HE LYS 39 3.285 -3.251 -3.575 358 HZ1 LYS 39 3HZ LYS 39 2.002 -1.294 -3.850 359 HZ2 LYS 39 1HZ LYS 39 3.035 -1.332 -5.133 360 HZ3 LYS 39 2HZ LYS 39 3.329 -0.306 -3.877 361 H ASP 40 H ASP 40 8.120 -2.460 1.312 362 HA ASP 40 HA ASP 40 9.552 -3.106 -1.118 363 HB2 ASP 40 1HB ASP 40 9.835 -0.990 0.220 364 HB3 ASP 40 2HB ASP 40 10.675 -1.943 1.454 365 H THR 41 H THR 41 9.783 -4.240 2.260 366 HA THR 41 HA THR 41 12.118 -5.884 1.732 367 HB THR 41 HB THR 41 10.119 -6.239 4.016 368 HG1 THR 41 HG1 THR 41 10.905 -4.043 3.831 369 HG21 THR 41 1HG2 THR 41 13.126 -6.742 3.820 370 HG22 THR 41 2HG2 THR 41 11.877 -8.007 3.759 371 HG23 THR 41 3HG2 THR 41 12.100 -7.053 5.233 372 H CYS 42 H CYS 42 8.622 -6.315 1.634 373 HA CYS 42 HA CYS 42 9.027 -9.146 0.768 374 HB2 CYS 42 1HB CYS 42 6.638 -7.947 2.202 375 HB3 CYS 42 2HB CYS 42 6.860 -9.644 1.756 376 HG CYS 42 HG CYS 42 8.601 -7.787 3.832 377 HA PRO 43 HA PRO 43 6.832 -6.845 -2.596 378 HB2 PRO 43 1HB PRO 43 8.213 -7.828 -4.736 379 HB3 PRO 43 2HB PRO 43 8.823 -6.452 -3.759 380 HG2 PRO 43 1HG PRO 43 9.522 -9.372 -3.545 381 HG3 PRO 43 2HG PRO 43 10.618 -7.960 -3.678 382 HD2 PRO 43 1HD PRO 43 10.026 -9.079 -1.284 383 HD3 PRO 43 2HD PRO 43 10.220 -7.298 -1.461 384 H TRP 44 H TRP 44 7.533 -10.082 -1.731 385 HA TRP 44 HA TRP 44 5.622 -11.296 -3.584 386 HB2 TRP 44 1HB TRP 44 6.224 -13.301 -1.987 387 HB3 TRP 44 2HB TRP 44 7.321 -12.767 -3.273 388 HD1 TRP 44 HD1 TRP 44 6.775 -12.104 0.467 389 HE1 TRP 44 HE1 TRP 44 9.017 -11.642 1.624 390 HE3 TRP 44 HE3 TRP 44 9.700 -12.254 -3.690 391 HZ2 TRP 44 HZ2 TRP 44 11.733 -11.294 0.798 392 HZ3 TRP 44 HZ3 TRP 44 12.157 -11.822 -3.461 393 HH2 TRP 44 HH2 TRP 44 13.148 -11.328 -1.225 394 H PHE 45 H PHE 45 5.416 -9.677 -0.567 395 HA PHE 45 HA PHE 45 3.357 -11.308 0.599 396 HB2 PHE 45 1HB PHE 45 4.672 -9.586 1.816 397 HB3 PHE 45 2HB PHE 45 3.789 -8.326 0.953 398 HD1 PHE 45 HD1 PHE 45 1.327 -8.042 1.349 399 HD2 PHE 45 HD2 PHE 45 3.710 -10.780 3.656 400 HE1 PHE 45 HE1 PHE 45 -0.447 -8.128 3.073 401 HE2 PHE 45 HE2 PHE 45 1.941 -10.852 5.402 402 HZ PHE 45 HZ PHE 45 -0.152 -9.535 5.112 403 HA PRO 46 HA PRO 46 0.154 -8.645 -1.516 404 HB2 PRO 46 1HB PRO 46 0.670 -7.300 -3.832 405 HB3 PRO 46 2HB PRO 46 0.868 -6.543 -2.218 406 HG2 PRO 46 1HG PRO 46 2.951 -7.848 -3.944 407 HG3 PRO 46 2HG PRO 46 2.966 -6.217 -3.195 408 HD2 PRO 46 1HD PRO 46 4.205 -8.276 -2.015 409 HD3 PRO 46 2HD PRO 46 3.287 -7.090 -1.035 410 H GLN 47 H GLN 47 2.665 -10.386 -3.245 411 HA GLN 47 HA GLN 47 0.979 -11.327 -5.403 412 HB2 GLN 47 1HB GLN 47 3.545 -12.452 -4.240 413 HB3 GLN 47 2HB GLN 47 2.755 -13.039 -5.703 414 HG2 GLN 47 1HG GLN 47 3.069 -10.872 -6.781 415 HG3 GLN 47 2HG GLN 47 3.788 -10.215 -5.305 416 HE21 GLN 47 2HE2 GLN 47 5.852 -9.889 -5.677 417 HE22 GLN 47 1HE2 GLN 47 6.945 -11.047 -6.417 418 H GLU 48 H GLU 48 1.704 -12.404 -2.080 419 HA GLU 48 HA GLU 48 0.311 -14.940 -2.353 420 HB2 GLU 48 1HB GLU 48 0.984 -13.255 0.098 421 HB3 GLU 48 2HB GLU 48 0.227 -14.851 0.162 422 HG2 GLU 48 1HG GLU 48 2.229 -15.784 -1.057 423 HG3 GLU 48 2HG GLU 48 3.000 -14.203 -0.901 424 H GLY 49 H GLY 49 -0.596 -11.606 -1.858 425 HA2 GLY 49 1HA GLY 49 -2.630 -10.566 -1.924 426 HA3 GLY 49 2HA GLY 49 -3.206 -12.005 -2.749 427 H THR 50 H THR 50 -2.139 -12.602 0.465 428 HA THR 50 HA THR 50 -4.992 -12.670 1.378 429 HB THR 50 HB THR 50 -2.857 -14.794 1.771 430 HG1 THR 50 HG1 THR 50 -3.653 -14.635 -0.407 431 HG21 THR 50 1HG2 THR 50 -4.440 -14.881 3.586 432 HG22 THR 50 2HG2 THR 50 -4.806 -16.210 2.466 433 HG23 THR 50 3HG2 THR 50 -5.810 -14.744 2.451 434 H ILE 51 H ILE 51 -5.325 -12.065 3.480 435 HA ILE 51 HA ILE 51 -2.852 -11.355 5.016 436 HB ILE 51 HB ILE 51 -5.690 -10.367 5.424 437 HG12 ILE 51 1HG1 ILE 51 -4.856 -9.441 3.374 438 HG13 ILE 51 2HG1 ILE 51 -4.864 -8.235 4.633 439 HG21 ILE 51 1HG2 ILE 51 -4.573 -8.694 6.946 440 HG22 ILE 51 2HG2 ILE 51 -4.417 -10.359 7.533 441 HG23 ILE 51 3HG2 ILE 51 -3.035 -9.566 6.746 442 HD11 ILE 51 3HD1 ILE 51 -2.425 -8.494 4.888 443 HD12 ILE 51 1HD1 ILE 51 -2.449 -9.648 3.534 444 HD13 ILE 51 2HD1 ILE 51 -2.927 -7.962 3.277 445 H ASP 52 H ASP 52 -2.307 -12.814 6.330 446 HA ASP 52 HA ASP 52 -4.254 -13.910 8.248 447 HB2 ASP 52 1HB ASP 52 -4.246 -15.598 6.397 448 HB3 ASP 52 2HB ASP 52 -2.482 -15.695 6.544 449 H ILE 53 H ILE 53 -3.049 -14.989 9.997 450 HA ILE 53 HA ILE 53 -0.798 -13.375 10.703 451 HB ILE 53 HB ILE 53 -2.482 -14.365 12.239 452 HG12 ILE 53 1HG1 ILE 53 -0.840 -14.997 14.031 453 HG13 ILE 53 2HG1 ILE 53 0.420 -14.996 12.807 454 HG21 ILE 53 1HG2 ILE 53 -2.604 -16.635 11.270 455 HG22 ILE 53 2HG2 ILE 53 -0.963 -16.971 11.886 456 HG23 ILE 53 3HG2 ILE 53 -2.298 -16.657 13.017 457 HD11 ILE 53 3HD1 ILE 53 -1.245 -12.564 13.479 458 HD12 ILE 53 1HD1 ILE 53 0.325 -12.930 14.214 459 HD13 ILE 53 2HD1 ILE 53 0.220 -12.625 12.468 460 H LYS 54 H LYS 54 -1.093 -16.558 9.150 461 HA LYS 54 HA LYS 54 1.668 -17.314 9.543 462 HB2 LYS 54 1HB LYS 54 -0.251 -17.969 7.281 463 HB3 LYS 54 2HB LYS 54 1.301 -18.773 7.547 464 HG2 LYS 54 1HG LYS 54 0.534 -19.750 9.615 465 HG3 LYS 54 2HG LYS 54 -0.920 -18.736 9.615 466 HD2 LYS 54 1HD LYS 54 -1.590 -19.827 7.442 467 HD3 LYS 54 2HD LYS 54 -0.274 -20.996 7.699 468 HE2 LYS 54 1HE LYS 54 -1.287 -21.702 9.814 469 HE3 LYS 54 2HE LYS 54 -2.517 -20.424 9.681 470 HZ1 LYS 54 3HZ LYS 54 -3.357 -21.502 7.698 471 HZ2 LYS 54 1HZ LYS 54 -3.382 -22.559 8.964 472 HZ3 LYS 54 2HZ LYS 54 -2.220 -22.694 7.799 473 H ARG 55 H ARG 55 -0.003 -15.337 7.096 474 HA ARG 55 HA ARG 55 2.371 -14.952 5.460 475 HB2 ARG 55 1HB ARG 55 -0.360 -13.672 5.619 476 HB3 ARG 55 2HB ARG 55 0.940 -12.840 4.772 477 HG2 ARG 55 1HG ARG 55 0.091 -13.956 3.016 478 HG3 ARG 55 2HG ARG 55 1.231 -15.183 3.575 479 HD2 ARG 55 1HD ARG 55 -0.575 -16.391 4.707 480 HD3 ARG 55 2HD ARG 55 -1.707 -15.082 4.339 481 HE ARG 55 HE ARG 55 -1.839 -15.767 2.122 482 HH11 ARG 55 1HH1 ARG 55 0.593 -17.752 3.729 483 HH12 ARG 55 2HH1 ARG 55 0.650 -18.888 2.413 484 HH21 ARG 55 1HH2 ARG 55 -1.702 -17.229 0.497 485 HH22 ARG 55 2HH2 ARG 55 -0.626 -18.596 0.615 486 H TRP 56 H TRP 56 0.793 -13.112 8.112 487 HA TRP 56 HA TRP 56 2.627 -10.915 7.856 488 HB2 TRP 56 1HB TRP 56 0.378 -10.852 8.943 489 HB3 TRP 56 2HB TRP 56 1.076 -11.710 10.329 490 HD1 TRP 56 HD1 TRP 56 2.115 -10.180 12.130 491 HE1 TRP 56 HE1 TRP 56 2.893 -7.769 12.349 492 HE3 TRP 56 HE3 TRP 56 1.470 -8.809 7.248 493 HZ2 TRP 56 HZ2 TRP 56 3.234 -5.532 10.614 494 HZ3 TRP 56 HZ3 TRP 56 2.084 -6.477 6.570 495 HH2 TRP 56 HH2 TRP 56 2.940 -4.855 8.257 496 H ARG 57 H ARG 57 2.777 -13.942 9.738 497 HA ARG 57 HA ARG 57 5.015 -13.128 11.350 498 HB2 ARG 57 1HB ARG 57 3.963 -15.815 10.476 499 HB3 ARG 57 2HB ARG 57 5.419 -15.659 11.473 500 HG2 ARG 57 1HG ARG 57 4.213 -14.647 13.272 501 HG3 ARG 57 2HG ARG 57 2.777 -14.392 12.268 502 HD2 ARG 57 1HD ARG 57 2.485 -16.829 12.064 503 HD3 ARG 57 2HD ARG 57 3.904 -17.070 13.095 504 HE ARG 57 HE ARG 57 1.947 -15.365 14.378 505 HH11 ARG 57 1HH1 ARG 57 2.532 -18.774 13.684 506 HH12 ARG 57 2HH1 ARG 57 1.467 -19.303 14.960 507 HH21 ARG 57 1HH2 ARG 57 0.568 -16.106 15.967 508 HH22 ARG 57 2HH2 ARG 57 0.391 -17.823 16.227 509 H ARG 58 H ARG 58 4.753 -14.701 8.189 510 HA ARG 58 HA ARG 58 7.510 -14.994 7.606 511 HB2 ARG 58 1HB ARG 58 5.086 -14.489 5.890 512 HB3 ARG 58 2HB ARG 58 6.691 -14.564 5.170 513 HG2 ARG 58 1HG ARG 58 6.989 -16.809 5.758 514 HG3 ARG 58 2HG ARG 58 5.680 -16.777 6.949 515 HD2 ARG 58 1HD ARG 58 5.055 -18.001 4.868 516 HD3 ARG 58 2HD ARG 58 3.995 -16.635 5.223 517 HE ARG 58 HE ARG 58 4.578 -15.654 3.227 518 HH11 ARG 58 1HH1 ARG 58 7.064 -18.090 3.917 519 HH12 ARG 58 2HH1 ARG 58 7.781 -17.909 2.339 520 HH21 ARG 58 1HH2 ARG 58 5.516 -15.495 1.291 521 HH22 ARG 58 2HH2 ARG 58 6.933 -16.447 0.876 522 H VAL 59 H VAL 59 5.605 -11.999 7.619 523 HA VAL 59 HA VAL 59 7.493 -10.445 6.082 524 HB VAL 59 HB VAL 59 5.573 -9.533 8.282 525 HG11 VAL 59 1HG1 VAL 59 7.290 -7.867 7.841 526 HG12 VAL 59 2HG1 VAL 59 6.956 -7.947 6.102 527 HG13 VAL 59 3HG1 VAL 59 5.722 -7.326 7.227 528 HG21 VAL 59 3HG2 VAL 59 5.247 -9.667 5.283 529 HG22 VAL 59 1HG2 VAL 59 4.401 -10.650 6.497 530 HG23 VAL 59 2HG2 VAL 59 4.103 -8.909 6.418 531 H GLY 60 H GLY 60 7.125 -11.256 9.526 532 HA2 GLY 60 1HA GLY 60 9.202 -9.475 10.413 533 HA3 GLY 60 2HA GLY 60 8.500 -10.837 11.306 534 H ASP 61 H ASP 61 9.069 -12.880 9.395 535 HA ASP 61 HA ASP 61 11.763 -13.558 10.063 536 HB2 ASP 61 1HB ASP 61 10.038 -14.558 7.754 537 HB3 ASP 61 2HB ASP 61 11.506 -15.340 8.353 538 H CYS 62 H CYS 62 10.238 -12.083 7.205 539 HA CYS 62 HA CYS 62 12.573 -11.885 5.574 540 HB2 CYS 62 1HB CYS 62 9.833 -11.027 5.531 541 HB3 CYS 62 2HB CYS 62 10.851 -9.634 5.167 542 HG CYS 62 HG CYS 62 10.387 -10.255 2.901 543 H PHE 63 H PHE 63 11.150 -9.575 7.964 544 HA PHE 63 HA PHE 63 13.058 -7.490 7.457 545 HB2 PHE 63 1HB PHE 63 11.651 -8.242 10.045 546 HB3 PHE 63 2HB PHE 63 12.608 -6.792 9.829 547 HD1 PHE 63 HD1 PHE 63 11.673 -6.028 6.996 548 HD2 PHE 63 HD2 PHE 63 9.542 -7.229 10.540 549 HE1 PHE 63 HE1 PHE 63 9.686 -4.757 6.224 550 HE2 PHE 63 HE2 PHE 63 7.561 -5.929 9.785 551 HZ PHE 63 HZ PHE 63 7.624 -4.695 7.622 552 H GLN 64 H GLN 64 13.066 -10.328 9.646 553 HA GLN 64 HA GLN 64 15.475 -9.541 10.968 554 HB2 GLN 64 1HB GLN 64 13.769 -11.228 11.763 555 HB3 GLN 64 2HB GLN 64 14.448 -12.369 10.595 556 HG2 GLN 64 1HG GLN 64 15.388 -12.757 12.822 557 HG3 GLN 64 2HG GLN 64 16.649 -12.197 11.716 558 HE21 GLN 64 2HE2 GLN 64 18.009 -10.774 12.596 559 HE22 GLN 64 1HE2 GLN 64 17.573 -9.594 13.814 560 H ASP 65 H ASP 65 14.870 -11.580 8.075 561 HA ASP 65 HA ASP 65 17.584 -12.443 7.766 562 HB2 ASP 65 1HB ASP 65 15.597 -13.311 6.542 563 HB3 ASP 65 2HB ASP 65 15.543 -11.824 5.604 564 H TYR 66 H TYR 66 15.804 -9.614 6.511 565 HA TYR 66 HA TYR 66 18.071 -8.648 5.026 566 HB2 TYR 66 1HB TYR 66 15.439 -8.095 4.998 567 HB3 TYR 66 2HB TYR 66 15.993 -6.724 5.967 568 HD1 TYR 66 HD2 TYR 66 17.318 -8.607 2.961 569 HD2 TYR 66 HD1 TYR 66 16.244 -4.782 4.630 570 HE1 TYR 66 HE2 TYR 66 18.077 -7.481 0.878 571 HE2 TYR 66 HE1 TYR 66 16.981 -3.673 2.518 572 HH TYR 66 HH TYR 66 18.276 -5.567 -0.243 573 H PHE 67 H PHE 67 16.888 -8.251 8.322 574 HA PHE 67 HA PHE 67 18.713 -6.103 9.048 575 HB2 PHE 67 1HB PHE 67 16.697 -6.749 10.352 576 HB3 PHE 67 2HB PHE 67 17.465 -8.281 10.767 577 HD1 PHE 67 HD1 PHE 67 19.554 -8.280 12.212 578 HD2 PHE 67 HD2 PHE 67 17.159 -4.763 11.579 579 HE1 PHE 67 HE1 PHE 67 20.590 -7.218 14.210 580 HE2 PHE 67 HE2 PHE 67 18.163 -3.706 13.585 581 HZ PHE 67 HZ PHE 67 19.891 -4.926 14.907 582 H ASN 68 H ASN 68 18.919 -9.692 9.147 583 HA ASN 68 HA ASN 68 21.440 -9.770 10.511 584 HB2 ASN 68 1HB ASN 68 20.140 -11.741 8.582 585 HB3 ASN 68 2HB ASN 68 21.599 -12.082 9.520 586 HD21 ASN 68 2HD2 ASN 68 19.256 -13.597 9.663 587 HD22 ASN 68 1HD2 ASN 68 18.610 -13.431 11.276 588 H THR 69 H THR 69 20.568 -9.254 7.156 589 HA THR 69 HA THR 69 23.143 -9.941 6.063 590 HB THR 69 HB THR 69 20.997 -8.142 4.842 591 HG1 THR 69 HG1 THR 69 20.154 -10.194 5.474 592 HG21 THR 69 1HG2 THR 69 23.126 -8.129 3.589 593 HG22 THR 69 2HG2 THR 69 21.891 -9.052 2.706 594 HG23 THR 69 3HG2 THR 69 23.163 -9.904 3.613 595 H PHE 70 H PHE 70 21.745 -6.854 7.212 596 HA PHE 70 HA PHE 70 24.368 -5.546 6.535 597 HB2 PHE 70 1HB PHE 70 21.522 -4.658 6.183 598 HB3 PHE 70 2HB PHE 70 22.810 -3.466 6.338 599 HD1 PHE 70 HD1 PHE 70 24.530 -3.207 4.617 600 HD2 PHE 70 HD2 PHE 70 21.331 -6.050 4.175 601 HE1 PHE 70 HE1 PHE 70 25.058 -3.411 2.195 602 HE2 PHE 70 HE2 PHE 70 21.849 -6.268 1.744 603 HZ PHE 70 HZ PHE 70 23.720 -4.944 0.747 604 H GLY 71 H GLY 71 22.139 -6.165 9.108 605 HA2 GLY 71 1HA GLY 71 22.510 -5.503 11.341 606 HA3 GLY 71 2HA GLY 71 23.579 -4.201 10.787 607 HA PRO 72 HA PRO 72 19.352 -2.563 11.876 608 HB2 PRO 72 1HB PRO 72 20.108 -0.543 13.543 609 HB3 PRO 72 2HB PRO 72 20.011 -2.248 14.088 610 HG2 PRO 72 1HG PRO 72 22.417 -0.721 13.126 611 HG3 PRO 72 2HG PRO 72 22.207 -1.652 14.646 612 HD2 PRO 72 1HD PRO 72 23.402 -2.753 12.501 613 HD3 PRO 72 2HD PRO 72 22.280 -3.720 13.524 614 H GLU 73 H GLU 73 22.013 -1.317 10.146 615 HA GLU 73 HA GLU 73 21.008 1.343 9.655 616 HB2 GLU 73 1HB GLU 73 22.569 1.381 7.792 617 HB3 GLU 73 2HB GLU 73 23.359 0.707 9.224 618 HG2 GLU 73 1HG GLU 73 23.225 -1.524 8.346 619 HG3 GLU 73 2HG GLU 73 22.166 -1.017 7.028 620 H LYS 74 H LYS 74 20.122 -1.820 8.525 621 HA LYS 74 HA LYS 74 18.773 -0.636 6.161 622 HB2 LYS 74 1HB LYS 74 19.859 -3.280 6.897 623 HB3 LYS 74 2HB LYS 74 18.363 -3.320 5.960 624 HG2 LYS 74 1HG LYS 74 20.868 -1.831 5.145 625 HG3 LYS 74 2HG LYS 74 20.380 -3.433 4.574 626 HD2 LYS 74 1HD LYS 74 18.259 -2.419 3.698 627 HD3 LYS 74 2HD LYS 74 18.897 -0.821 4.125 628 HE2 LYS 74 1HE LYS 74 19.326 -1.283 1.776 629 HE3 LYS 74 2HE LYS 74 20.856 -1.217 2.683 630 HZ1 LYS 74 3HZ LYS 74 20.795 -3.115 1.198 631 HZ2 LYS 74 1HZ LYS 74 19.425 -3.698 1.914 632 HZ3 LYS 74 2HZ LYS 74 20.842 -3.630 2.762 633 H VAL 75 H VAL 75 17.992 -2.518 9.084 634 HA VAL 75 HA VAL 75 15.166 -1.716 8.537 635 HB VAL 75 HB VAL 75 16.101 -4.345 9.809 636 HG11 VAL 75 1HG1 VAL 75 13.295 -3.319 9.230 637 HG12 VAL 75 2HG1 VAL 75 13.702 -4.941 9.828 638 HG13 VAL 75 3HG1 VAL 75 14.031 -3.525 10.836 639 HG21 VAL 75 3HG2 VAL 75 14.998 -5.438 7.850 640 HG22 VAL 75 1HG2 VAL 75 14.767 -3.832 7.117 641 HG23 VAL 75 2HG2 VAL 75 16.407 -4.463 7.397 642 HA PRO 76 HA PRO 76 16.280 -0.130 12.525 643 HB2 PRO 76 1HB PRO 76 14.078 1.272 13.191 644 HB3 PRO 76 2HB PRO 76 15.138 1.802 11.865 645 HG2 PRO 76 1HG PRO 76 12.563 0.300 11.721 646 HG3 PRO 76 2HG PRO 76 13.087 1.725 10.780 647 HD2 PRO 76 1HD PRO 76 13.261 -0.857 9.845 648 HD3 PRO 76 2HD PRO 76 14.396 0.446 9.353 649 H VAL 77 H VAL 77 15.774 -0.528 14.781 650 HA VAL 77 HA VAL 77 14.450 -3.014 15.249 651 HB VAL 77 HB VAL 77 14.729 -2.485 17.667 652 HG11 VAL 77 1HG1 VAL 77 17.204 -1.911 15.968 653 HG12 VAL 77 2HG1 VAL 77 17.183 -2.510 17.642 654 HG13 VAL 77 3HG1 VAL 77 16.552 -3.527 16.329 655 HG21 VAL 77 3HG2 VAL 77 14.380 -0.025 17.558 656 HG22 VAL 77 1HG2 VAL 77 15.916 -0.435 18.340 657 HG23 VAL 77 2HG2 VAL 77 15.911 0.151 16.665 658 H THR 78 H THR 78 13.226 0.265 15.092 659 HA THR 78 HA THR 78 10.830 -0.286 16.611 660 HB THR 78 HB THR 78 11.579 2.027 16.248 661 HG1 THR 78 HG1 THR 78 9.427 1.787 16.701 662 HG21 THR 78 1HG2 THR 78 12.428 2.141 14.058 663 HG22 THR 78 2HG2 THR 78 10.975 3.145 14.076 664 HG23 THR 78 3HG2 THR 78 10.914 1.529 13.356 665 H ALA 79 H ALA 79 11.829 -0.998 13.316 666 HA ALA 79 HA ALA 79 9.163 -1.203 12.267 667 HB1 ALA 79 3HB ALA 79 10.221 -2.607 10.532 668 HB2 ALA 79 1HB ALA 79 11.093 -1.085 10.827 669 HB3 ALA 79 2HB ALA 79 11.725 -2.611 11.485 670 H PHE 80 H PHE 80 11.264 -3.470 14.056 671 HA PHE 80 HA PHE 80 9.464 -5.719 13.773 672 HB2 PHE 80 1HB PHE 80 11.542 -5.125 15.914 673 HB3 PHE 80 2HB PHE 80 10.761 -6.686 15.637 674 HD1 PHE 80 HD1 PHE 80 13.233 -4.270 14.368 675 HD2 PHE 80 HD2 PHE 80 11.407 -8.107 13.750 676 HE1 PHE 80 HE1 PHE 80 15.049 -4.851 12.788 677 HE2 PHE 80 HE2 PHE 80 13.215 -8.715 12.157 678 HZ PHE 80 HZ PHE 80 15.042 -7.092 11.669 679 H SER 81 H SER 81 9.731 -2.979 15.955 680 HA SER 81 HA SER 81 8.015 -4.048 18.028 681 HB2 SER 81 1HB SER 81 9.625 -2.204 18.435 682 HB3 SER 81 2HB SER 81 8.700 -1.160 17.338 683 HG SER 81 HG SER 81 7.760 -2.324 19.757 684 H TYR 82 H TYR 82 7.548 -1.746 15.313 685 HA TYR 82 HA TYR 82 4.721 -1.439 15.649 686 HB2 TYR 82 1HB TYR 82 6.735 -1.020 13.477 687 HB3 TYR 82 2HB TYR 82 5.041 -1.165 12.989 688 HD1 TYR 82 HD2 TYR 82 7.442 0.926 14.953 689 HD2 TYR 82 HD1 TYR 82 3.420 0.504 13.463 690 HE1 TYR 82 HE2 TYR 82 6.992 3.324 15.471 691 HE2 TYR 82 HE1 TYR 82 2.993 2.917 13.985 692 HH TYR 82 HH TYR 82 5.481 5.106 15.170 693 H TRP 83 H TRP 83 6.723 -3.778 13.834 694 HA TRP 83 HA TRP 83 4.639 -5.036 12.421 695 HB2 TRP 83 1HB TRP 83 6.952 -5.480 11.906 696 HB3 TRP 83 2HB TRP 83 7.276 -6.011 13.542 697 HD1 TRP 83 HD1 TRP 83 5.423 -7.286 10.407 698 HE1 TRP 83 HE1 TRP 83 5.290 -9.828 10.474 699 HE3 TRP 83 HE3 TRP 83 7.437 -7.952 15.056 700 HZ2 TRP 83 HZ2 TRP 83 6.059 -11.891 12.293 701 HZ3 TRP 83 HZ3 TRP 83 7.739 -10.283 15.912 702 HH2 TRP 83 HH2 TRP 83 7.056 -12.236 14.519 703 H ASN 84 H ASN 84 5.849 -5.587 15.731 704 HA ASN 84 HA ASN 84 4.254 -7.911 16.245 705 HB2 ASN 84 1HB ASN 84 5.786 -5.942 17.887 706 HB3 ASN 84 2HB ASN 84 4.570 -6.927 18.712 707 HD21 ASN 84 2HD2 ASN 84 7.746 -6.796 17.665 708 HD22 ASN 84 1HD2 ASN 84 8.136 -8.490 17.859 709 H LEU 85 H LEU 85 3.508 -4.453 16.316 710 HA LEU 85 HA LEU 85 1.178 -4.645 17.996 711 HB2 LEU 85 1HB LEU 85 2.409 -2.546 17.467 712 HB3 LEU 85 2HB LEU 85 1.853 -2.650 15.803 713 HG LEU 85 HG LEU 85 -0.377 -2.706 17.675 714 HD11 LEU 85 1HD1 LEU 85 1.445 -0.273 17.663 715 HD12 LEU 85 2HD1 LEU 85 1.131 -1.344 19.050 716 HD13 LEU 85 3HD1 LEU 85 -0.180 -0.352 18.382 717 HD21 LEU 85 3HD2 LEU 85 -0.608 -2.306 15.262 718 HD22 LEU 85 1HD2 LEU 85 0.404 -0.847 15.394 719 HD23 LEU 85 2HD2 LEU 85 -1.188 -0.907 16.188 720 H ILE 86 H ILE 86 1.702 -4.875 14.460 721 HA ILE 86 HA ILE 86 -1.161 -5.210 13.982 722 HB ILE 86 HB ILE 86 1.178 -5.682 12.110 723 HG12 ILE 86 1HG1 ILE 86 -0.408 -3.416 11.416 724 HG13 ILE 86 2HG1 ILE 86 -0.052 -3.270 13.134 725 HG21 ILE 86 1HG2 ILE 86 -1.839 -5.510 11.661 726 HG22 ILE 86 2HG2 ILE 86 -0.627 -5.409 10.348 727 HG23 ILE 86 3HG2 ILE 86 -0.771 -6.888 11.317 728 HD11 ILE 86 3HD1 ILE 86 2.372 -3.719 12.524 729 HD12 ILE 86 1HD1 ILE 86 1.884 -3.466 10.833 730 HD13 ILE 86 2HD1 ILE 86 1.694 -2.155 12.022 731 H LYS 87 H LYS 87 1.666 -7.236 14.507 732 HA LYS 87 HA LYS 87 0.667 -9.718 13.571 733 HB2 LYS 87 1HB LYS 87 2.986 -9.391 14.226 734 HB3 LYS 87 2HB LYS 87 2.485 -8.944 15.845 735 HG2 LYS 87 1HG LYS 87 1.664 -11.265 16.202 736 HG3 LYS 87 2HG LYS 87 2.445 -11.701 14.657 737 HD2 LYS 87 1HD LYS 87 4.581 -10.901 15.481 738 HD3 LYS 87 2HD LYS 87 3.816 -10.221 16.918 739 HE2 LYS 87 1HE LYS 87 3.193 -12.506 17.652 740 HE3 LYS 87 2HE LYS 87 4.130 -13.160 16.278 741 HZ1 LYS 87 3HZ LYS 87 5.403 -12.922 18.422 742 HZ2 LYS 87 1HZ LYS 87 5.264 -11.278 18.283 743 HZ3 LYS 87 2HZ LYS 87 6.094 -12.133 17.146 744 H GLU 88 H GLU 88 0.442 -8.287 16.901 745 HA GLU 88 HA GLU 88 -1.210 -10.474 17.792 746 HB2 GLU 88 1HB GLU 88 -1.602 -9.153 19.782 747 HB3 GLU 88 2HB GLU 88 0.105 -9.091 19.328 748 HG2 GLU 88 1HG GLU 88 -0.298 -6.873 18.285 749 HG3 GLU 88 2HG GLU 88 -1.960 -6.922 18.887 750 H LEU 89 H LEU 89 -1.938 -7.432 16.139 751 HA LEU 89 HA LEU 89 -4.741 -7.437 16.694 752 HB2 LEU 89 1HB LEU 89 -3.015 -6.193 14.604 753 HB3 LEU 89 2HB LEU 89 -4.754 -6.206 14.374 754 HG LEU 89 HG LEU 89 -3.403 -5.032 16.825 755 HD11 LEU 89 1HD1 LEU 89 -3.840 -2.832 15.762 756 HD12 LEU 89 2HD1 LEU 89 -4.390 -3.660 14.288 757 HD13 LEU 89 3HD1 LEU 89 -2.700 -3.809 14.821 758 HD21 LEU 89 3HD2 LEU 89 -6.240 -4.788 15.723 759 HD22 LEU 89 1HD2 LEU 89 -5.596 -3.868 17.099 760 HD23 LEU 89 2HD2 LEU 89 -5.754 -5.629 17.212 761 H ILE 90 H ILE 90 -2.818 -8.999 14.114 762 HA ILE 90 HA ILE 90 -5.236 -10.041 12.835 763 HB ILE 90 HB ILE 90 -2.329 -10.908 12.473 764 HG12 ILE 90 1HG1 ILE 90 -4.004 -9.138 10.652 765 HG13 ILE 90 2HG1 ILE 90 -2.903 -8.489 11.866 766 HG21 ILE 90 1HG2 ILE 90 -4.005 -12.640 11.725 767 HG22 ILE 90 2HG2 ILE 90 -4.786 -11.417 10.700 768 HG23 ILE 90 3HG2 ILE 90 -3.127 -11.949 10.355 769 HD11 ILE 90 3HD1 ILE 90 -1.761 -8.501 9.738 770 HD12 ILE 90 1HD1 ILE 90 -1.019 -9.731 10.781 771 HD13 ILE 90 2HD1 ILE 90 -2.136 -10.218 9.484 772 H ASP 91 H ASP 91 -2.740 -11.286 15.099 773 HA ASP 91 HA ASP 91 -3.569 -14.012 15.103 774 HB2 ASP 91 1HB ASP 91 -1.679 -12.444 16.470 775 HB3 ASP 91 2HB ASP 91 -2.731 -13.047 17.748 776 H LYS 92 H LYS 92 -4.776 -11.157 16.837 777 HA LYS 92 HA LYS 92 -6.979 -12.860 17.937 778 HB2 LYS 92 1HB LYS 92 -5.899 -10.196 18.919 779 HB3 LYS 92 2HB LYS 92 -7.249 -11.069 19.636 780 HG2 LYS 92 1HG LYS 92 -4.391 -12.104 19.475 781 HG3 LYS 92 2HG LYS 92 -5.127 -11.369 20.902 782 HD2 LYS 92 1HD LYS 92 -6.235 -13.887 19.581 783 HD3 LYS 92 2HD LYS 92 -5.039 -13.916 20.881 784 HE2 LYS 92 1HE LYS 92 -6.600 -12.729 22.371 785 HE3 LYS 92 2HE LYS 92 -7.806 -12.667 21.067 786 HZ1 LYS 92 3HZ LYS 92 -8.125 -14.531 22.639 787 HZ2 LYS 92 1HZ LYS 92 -6.704 -15.198 22.127 788 HZ3 LYS 92 2HZ LYS 92 -7.968 -15.021 21.072 789 H LYS 93 H LYS 93 -6.959 -11.826 15.193 790 HA LYS 93 HA LYS 93 -8.691 -9.526 15.075 791 HB2 LYS 93 1HB LYS 93 -9.058 -10.050 12.779 792 HB3 LYS 93 2HB LYS 93 -7.367 -10.371 13.154 793 HG2 LYS 93 1HG LYS 93 -7.990 -12.829 13.376 794 HG3 LYS 93 2HG LYS 93 -9.585 -12.396 12.725 795 HD2 LYS 93 1HD LYS 93 -8.495 -11.461 10.706 796 HD3 LYS 93 2HD LYS 93 -6.910 -11.887 11.370 797 HE2 LYS 93 1HE LYS 93 -7.505 -13.580 9.778 798 HE3 LYS 93 2HE LYS 93 -7.630 -14.294 11.399 799 HZ1 LYS 93 3HZ LYS 93 -10.015 -13.984 11.301 800 HZ2 LYS 93 1HZ LYS 93 -9.531 -14.839 9.975 801 HZ3 LYS 93 2HZ LYS 93 -9.920 -13.241 9.833 802 H GLU 94 H GLU 94 -9.209 -12.795 15.909 803 HA GLU 94 HA GLU 94 -11.945 -13.188 15.311 804 HB2 GLU 94 1HB GLU 94 -11.756 -14.641 17.480 805 HB3 GLU 94 2HB GLU 94 -10.816 -15.087 16.050 806 HG2 GLU 94 1HG GLU 94 -8.787 -14.235 16.975 807 HG3 GLU 94 2HG GLU 94 -9.646 -13.358 18.250 808 H VAL 95 H VAL 95 -10.409 -11.378 17.961 809 HA VAL 95 HA VAL 95 -13.135 -10.820 19.061 810 HB VAL 95 HB VAL 95 -11.978 -10.296 21.208 811 HG11 VAL 95 1HG1 VAL 95 -11.516 -12.601 21.859 812 HG12 VAL 95 2HG1 VAL 95 -12.887 -12.581 20.731 813 HG13 VAL 95 3HG1 VAL 95 -11.276 -13.081 20.164 814 HG21 VAL 95 3HG2 VAL 95 -9.469 -11.431 19.883 815 HG22 VAL 95 1HG2 VAL 95 -9.738 -9.704 20.227 816 HG23 VAL 95 2HG2 VAL 95 -9.635 -10.868 21.559 817 H ASN 96 H ASN 96 -11.148 -9.565 16.934 818 HA ASN 96 HA ASN 96 -11.634 -6.747 17.842 819 HB2 ASN 96 1HB ASN 96 -9.214 -7.974 16.512 820 HB3 ASN 96 2HB ASN 96 -9.605 -6.264 16.298 821 HD21 ASN 96 2HD2 ASN 96 -8.245 -8.615 18.373 822 HD22 ASN 96 1HD2 ASN 96 -7.867 -7.512 19.683 823 HA PRO 97 HA PRO 97 -13.761 -7.862 13.923 824 HB2 PRO 97 1HB PRO 97 -16.018 -6.333 14.230 825 HB3 PRO 97 2HB PRO 97 -15.824 -7.958 14.964 826 HG2 PRO 97 1HG PRO 97 -15.328 -5.263 16.219 827 HG3 PRO 97 2HG PRO 97 -16.330 -6.622 16.827 828 HD2 PRO 97 1HD PRO 97 -13.818 -6.285 17.703 829 HD3 PRO 97 2HD PRO 97 -14.434 -7.935 17.334 830 H GLN 98 H GLN 98 -12.875 -4.756 15.302 831 HA GLN 98 HA GLN 98 -13.446 -3.138 13.000 832 HB2 GLN 98 1HB GLN 98 -11.432 -2.877 15.265 833 HB3 GLN 98 2HB GLN 98 -11.570 -1.685 13.969 834 HG2 GLN 98 1HG GLN 98 -13.766 -2.442 15.917 835 HG3 GLN 98 2HG GLN 98 -12.782 -0.967 15.949 836 HE21 GLN 98 2HE2 GLN 98 -15.770 -1.672 15.458 837 HE22 GLN 98 1HE2 GLN 98 -16.151 -0.710 14.053 838 H VAL 99 H VAL 99 -10.533 -4.926 14.107 839 HA VAL 99 HA VAL 99 -9.159 -4.104 11.698 840 HB VAL 99 HB VAL 99 -8.070 -4.547 14.010 841 HG11 VAL 99 1HG1 VAL 99 -8.976 -6.898 14.201 842 HG12 VAL 99 2HG1 VAL 99 -7.863 -7.374 12.904 843 HG13 VAL 99 3HG1 VAL 99 -7.230 -6.753 14.443 844 HG21 VAL 99 3HG2 VAL 99 -6.789 -5.660 11.484 845 HG22 VAL 99 1HG2 VAL 99 -6.857 -3.942 11.946 846 HG23 VAL 99 2HG2 VAL 99 -5.938 -5.092 12.935 847 H MET 100 H MET 100 -11.061 -6.906 12.725 848 HA MET 100 HA MET 100 -10.188 -8.702 10.700 849 HB2 MET 100 1HB MET 100 -11.583 -9.426 12.541 850 HB3 MET 100 2HB MET 100 -12.891 -8.358 12.032 851 HG2 MET 100 1HG MET 100 -13.323 -10.717 11.464 852 HG3 MET 100 2HG MET 100 -13.287 -9.662 10.045 853 HE1 MET 100 3HE MET 100 -12.301 -10.232 7.994 854 HE2 MET 100 1HE MET 100 -11.354 -11.712 7.695 855 HE3 MET 100 2HE MET 100 -13.012 -11.830 8.336 856 H ALA 101 H ALA 101 -12.650 -6.075 10.589 857 HA ALA 101 HA ALA 101 -13.444 -6.718 7.899 858 HB1 ALA 101 3HB ALA 101 -13.509 -4.055 9.381 859 HB2 ALA 101 1HB ALA 101 -14.409 -4.443 7.896 860 HB3 ALA 101 2HB ALA 101 -14.788 -5.293 9.413 861 H ALA 102 H ALA 102 -10.687 -4.977 9.252 862 HA ALA 102 HA ALA 102 -9.994 -3.678 6.736 863 HB1 ALA 102 3HB ALA 102 -8.356 -4.059 9.279 864 HB2 ALA 102 1HB ALA 102 -7.990 -2.954 7.937 865 HB3 ALA 102 2HB ALA 102 -9.429 -2.679 8.945 866 H VAL 103 H VAL 103 -9.237 -6.677 8.458 867 HA VAL 103 HA VAL 103 -6.966 -7.532 6.926 868 HB VAL 103 HB VAL 103 -9.243 -9.048 8.312 869 HG11 VAL 103 1HG1 VAL 103 -8.030 -11.111 8.142 870 HG12 VAL 103 2HG1 VAL 103 -8.289 -10.479 6.509 871 HG13 VAL 103 3HG1 VAL 103 -6.707 -10.318 7.286 872 HG21 VAL 103 3HG2 VAL 103 -7.698 -9.404 10.113 873 HG22 VAL 103 1HG2 VAL 103 -6.329 -8.806 9.146 874 HG23 VAL 103 2HG2 VAL 103 -7.593 -7.691 9.692 875 H ALA 104 H ALA 104 -10.498 -7.958 6.490 876 HA ALA 104 HA ALA 104 -10.261 -9.370 4.016 877 HB1 ALA 104 3HB ALA 104 -12.570 -7.691 5.089 878 HB2 ALA 104 1HB ALA 104 -12.668 -8.912 3.798 879 HB3 ALA 104 2HB ALA 104 -12.272 -9.405 5.464 880 H GLN 105 H GLN 105 -10.836 -5.881 4.732 881 HA GLN 105 HA GLN 105 -11.062 -5.089 2.003 882 HB2 GLN 105 1HB GLN 105 -10.364 -3.681 4.573 883 HB3 GLN 105 2HB GLN 105 -10.091 -2.867 3.022 884 HG2 GLN 105 1HG GLN 105 -12.506 -3.388 2.447 885 HG3 GLN 105 2HG GLN 105 -12.718 -3.833 4.147 886 HE21 GLN 105 2HE2 GLN 105 -13.534 -2.234 5.333 887 HE22 GLN 105 1HE2 GLN 105 -13.237 -0.521 5.092 888 H THR 106 H THR 106 -8.166 -5.517 4.068 889 HA THR 106 HA THR 106 -6.378 -4.179 2.295 890 HB THR 106 HB THR 106 -5.679 -6.592 4.014 891 HG1 THR 106 HG1 THR 106 -6.658 -4.987 5.279 892 HG21 THR 106 1HG2 THR 106 -4.041 -4.233 3.005 893 HG22 THR 106 2HG2 THR 106 -3.896 -5.918 2.451 894 HG23 THR 106 3HG2 THR 106 -3.459 -5.489 4.118 895 H GLU 107 H GLU 107 -7.510 -7.609 2.434 896 HA GLU 107 HA GLU 107 -5.837 -8.537 0.340 897 HB2 GLU 107 1HB GLU 107 -8.632 -9.416 1.127 898 HB3 GLU 107 2HB GLU 107 -7.622 -10.237 -0.069 899 HG2 GLU 107 1HG GLU 107 -5.867 -10.476 1.685 900 HG3 GLU 107 2HG GLU 107 -7.040 -9.874 2.863 901 H GLU 108 H GLU 108 -9.007 -6.869 0.142 902 HA GLU 108 HA GLU 108 -9.352 -7.255 -2.684 903 HB2 GLU 108 1HB GLU 108 -10.215 -4.912 -0.943 904 HB3 GLU 108 2HB GLU 108 -10.839 -5.282 -2.548 905 HG2 GLU 108 1HG GLU 108 -11.804 -7.376 -1.702 906 HG3 GLU 108 2HG GLU 108 -11.151 -7.033 -0.091 907 H ILE 109 H ILE 109 -7.810 -4.727 -0.722 908 HA ILE 109 HA ILE 109 -7.127 -3.003 -2.913 909 HB ILE 109 HB ILE 109 -5.958 -3.254 -0.099 910 HG12 ILE 109 1HG1 ILE 109 -7.868 -1.157 -1.175 911 HG13 ILE 109 2HG1 ILE 109 -8.458 -2.665 -0.494 912 HG21 ILE 109 1HG2 ILE 109 -5.610 -1.019 -2.175 913 HG22 ILE 109 2HG2 ILE 109 -5.117 -0.903 -0.472 914 HG23 ILE 109 3HG2 ILE 109 -4.331 -2.077 -1.537 915 HD11 ILE 109 3HD1 ILE 109 -7.116 -2.085 1.610 916 HD12 ILE 109 1HD1 ILE 109 -6.992 -0.448 0.915 917 HD13 ILE 109 2HD1 ILE 109 -8.587 -1.140 1.274 918 H LEU 110 H LEU 110 -5.464 -5.753 -1.359 919 HA LEU 110 HA LEU 110 -2.934 -5.326 -2.636 920 HB2 LEU 110 1HB LEU 110 -4.251 -7.928 -1.790 921 HB3 LEU 110 2HB LEU 110 -2.598 -7.782 -2.354 922 HG LEU 110 HG LEU 110 -3.727 -6.726 0.232 923 HD11 LEU 110 1HD1 LEU 110 -1.651 -8.812 -0.451 924 HD12 LEU 110 2HD1 LEU 110 -3.264 -9.081 0.249 925 HD13 LEU 110 3HD1 LEU 110 -2.017 -8.243 1.189 926 HD21 LEU 110 3HD2 LEU 110 -1.414 -5.984 0.759 927 HD22 LEU 110 1HD2 LEU 110 -2.207 -5.024 -0.503 928 HD23 LEU 110 2HD2 LEU 110 -0.989 -6.245 -0.949 929 H LYS 111 H LYS 111 -5.926 -6.900 -3.821 930 HA LYS 111 HA LYS 111 -4.583 -7.946 -6.199 931 HB2 LYS 111 1HB LYS 111 -7.544 -7.340 -5.963 932 HB3 LYS 111 2HB LYS 111 -6.755 -8.501 -7.029 933 HG2 LYS 111 1HG LYS 111 -7.105 -8.711 -4.040 934 HG3 LYS 111 2HG LYS 111 -7.950 -9.638 -5.261 935 HD2 LYS 111 1HD LYS 111 -5.708 -10.618 -5.922 936 HD3 LYS 111 2HD LYS 111 -5.022 -9.825 -4.484 937 HE2 LYS 111 1HE LYS 111 -7.301 -11.851 -4.529 938 HE3 LYS 111 2HE LYS 111 -5.648 -12.161 -3.972 939 HZ1 LYS 111 3HZ LYS 111 -7.455 -11.630 -2.242 940 HZ2 LYS 111 1HZ LYS 111 -7.275 -10.051 -2.697 941 HZ3 LYS 111 2HZ LYS 111 -5.997 -10.889 -2.073 942 H SER 112 H SER 112 -6.020 -4.924 -5.255 943 HA SER 112 HA SER 112 -6.308 -3.908 -7.992 944 HB2 SER 112 1HB SER 112 -7.731 -3.307 -5.946 945 HB3 SER 112 2HB SER 112 -6.357 -2.344 -5.386 946 HG SER 112 HG SER 112 -6.472 -1.318 -7.532 947 H ASN 113 H ASN 113 -3.793 -4.288 -5.782 948 HA ASN 113 HA ASN 113 -2.350 -1.831 -6.545 949 HB2 ASN 113 1HB ASN 113 -2.441 -3.406 -4.252 950 HB3 ASN 113 2HB ASN 113 -0.895 -3.853 -4.978 951 HD21 ASN 113 2HD2 ASN 113 -2.884 -1.113 -3.937 952 HD22 ASN 113 1HD2 ASN 113 -1.551 -0.060 -3.562 953 H SER 114 H SER 114 -0.288 -1.845 -7.472 954 HA SER 114 HA SER 114 1.388 -2.434 -8.892 955 HB2 SER 114 1HB SER 114 1.832 -4.318 -7.388 956 HB3 SER 114 2HB SER 114 0.631 -5.305 -8.228 957 HG SER 114 HG SER 114 2.916 -4.198 -9.528 958 H GLN 115 H GLN 115 1.871 -3.166 -11.033 959 HA GLN 115 HA GLN 115 -0.591 -3.708 -12.679 960 HB2 GLN 115 1HB GLN 115 0.544 -1.371 -12.819 961 HB3 GLN 115 2HB GLN 115 1.885 -2.203 -13.607 962 HG2 GLN 115 1HG GLN 115 0.334 -2.982 -15.388 963 HG3 GLN 115 2HG GLN 115 -1.000 -2.141 -14.584 964 HE21 GLN 115 2HE2 GLN 115 -0.370 0.268 -14.054 965 HE22 GLN 115 1HE2 GLN 115 0.308 1.136 -15.412 966 H THR 116 H THR 116 0.889 -5.641 -11.352 967 HA THR 116 HA THR 116 2.226 -7.358 -11.391 968 HB THR 116 HB THR 116 1.998 -8.742 -13.104 969 HG1 THR 116 HG1 THR 116 1.729 -6.468 -14.661 970 HG21 THR 116 1HG2 THR 116 -0.370 -8.845 -13.444 971 HG22 THR 116 2HG2 THR 116 -0.501 -7.088 -13.235 972 HG23 THR 116 3HG2 THR 116 -0.077 -8.122 -11.847 973 H ASP 117 H ASP 117 3.351 -4.854 -11.886 974 HA ASP 117 HA ASP 117 5.787 -5.186 -13.468 975 HB2 ASP 117 1HB ASP 117 6.369 -2.961 -12.577 976 HB3 ASP 117 2HB ASP 117 4.740 -2.972 -13.264 977 H LEU 118 H LEU 118 5.706 -7.315 -11.923 978 HA LEU 118 HA LEU 118 6.779 -6.955 -9.283 979 HB2 LEU 118 1HB LEU 118 7.020 -9.394 -11.027 980 HB3 LEU 118 2HB LEU 118 7.153 -9.342 -9.281 981 HG LEU 118 HG LEU 118 4.620 -8.821 -10.890 982 HD11 LEU 118 1HD1 LEU 118 3.855 -10.944 -9.893 983 HD12 LEU 118 2HD1 LEU 118 5.449 -11.162 -9.136 984 HD13 LEU 118 3HD1 LEU 118 5.293 -11.167 -10.908 985 HD21 LEU 118 3HD2 LEU 118 4.527 -7.486 -8.868 986 HD22 LEU 118 1HD2 LEU 118 5.083 -8.858 -7.881 987 HD23 LEU 118 2HD2 LEU 118 3.483 -8.901 -8.654 988 H GLU 119 H GLU 119 8.719 -6.747 -8.590 989 HA GLU 119 HA GLU 119 10.989 -6.797 -10.520 990 HB2 GLU 119 1HB GLU 119 9.707 -4.556 -9.127 991 HB3 GLU 119 2HB GLU 119 11.443 -4.638 -8.820 992 HG2 GLU 119 1HG GLU 119 10.391 -4.856 -11.637 993 HG3 GLU 119 2HG GLU 119 10.555 -3.272 -10.854 994 H HIS 120 H HIS 120 13.128 -6.530 -9.385 995 HA HIS 120 HA HIS 120 13.094 -7.615 -6.605 996 HB2 HIS 120 1HB HIS 120 14.974 -9.257 -7.543 997 HB3 HIS 120 2HB HIS 120 13.266 -9.707 -7.505 998 HD1 HIS 120 HD1 HIS 120 11.972 -9.862 -9.788 999 HD2 HIS 120 HD2 HIS 120 16.021 -8.828 -10.149 1000 HE1 HIS 120 HE1 HIS 120 12.577 -10.085 -12.254 1001 H HIS 121 H HIS 121 14.218 -6.102 -5.579 1002 HA HIS 121 HA HIS 121 16.725 -5.097 -6.884 1003 HB2 HIS 121 1HB HIS 121 14.829 -3.656 -4.990 1004 HB3 HIS 121 2HB HIS 121 16.302 -2.979 -5.698 1005 HD1 HIS 121 HD1 HIS 121 13.089 -2.123 -6.089 1006 HD2 HIS 121 HD2 HIS 121 15.676 -3.937 -8.856 1007 HE1 HIS 121 HE1 HIS 121 12.180 -1.617 -8.419 1008 H HIS 122 H HIS 122 18.516 -4.715 -5.623 1009 HA HIS 122 HA HIS 122 20.031 -5.079 -3.934 1010 HB2 HIS 122 1HB HIS 122 17.703 -4.380 -2.118 1011 HB3 HIS 122 2HB HIS 122 19.424 -4.140 -1.795 1012 HD1 HIS 122 HD1 HIS 122 20.618 -2.403 -3.743 1013 HD2 HIS 122 HD2 HIS 122 16.509 -2.091 -2.938 1014 HE1 HIS 122 HE1 HIS 122 19.877 -0.093 -4.537 1015 H HIS 123 H HIS 123 18.844 -7.609 -4.641 1016 HA HIS 123 HA HIS 123 18.868 -8.996 -1.980 1017 HB2 HIS 123 1HB HIS 123 16.651 -8.842 -3.379 1018 HB3 HIS 123 2HB HIS 123 17.421 -10.026 -4.442 1019 HD1 HIS 123 HD1 HIS 123 17.317 -12.497 -3.683 1020 HD2 HIS 123 HD2 HIS 123 16.241 -9.798 -0.654 1021 HE1 HIS 123 HE1 HIS 123 16.414 -13.873 -1.741 1022 H HIS 124 H HIS 124 19.974 -11.067 -1.985 1023 HA HIS 124 HA HIS 124 21.362 -11.848 -4.500 1024 HB2 HIS 124 1HB HIS 124 22.785 -11.129 -1.909 1025 HB3 HIS 124 2HB HIS 124 23.442 -12.341 -3.020 1026 HD1 HIS 124 HD1 HIS 124 23.512 -11.313 -5.709 1027 HD2 HIS 124 HD2 HIS 124 23.885 -8.688 -2.460 1028 HE1 HIS 124 HE1 HIS 124 24.638 -9.201 -6.588 1029 H HIS 125 H HIS 125 21.842 -12.791 -1.078 1030 HA HIS 125 HA HIS 125 20.415 -15.339 -1.550 1031 HB2 HIS 125 1HB HIS 125 20.904 -15.901 0.680 1032 HB3 HIS 125 2HB HIS 125 22.367 -15.047 0.186 1033 HD1 HIS 125 HD1 HIS 125 19.086 -14.468 2.128 1034 HD2 HIS 125 HD2 HIS 125 22.958 -12.872 1.841 1035 HE1 HIS 125 HE1 HIS 125 19.323 -12.758 3.989 Start of MODEL 19 1 H21 MYR 1 1H2 MYR 1 0.478 0.572 -1.415 2 H22 MYR 1 2H2 MYR 1 1.993 0.365 -0.559 3 H31 MYR 1 1H3 MYR 1 -0.376 -1.602 -0.516 4 H32 MYR 1 2H3 MYR 1 1.090 -1.810 -1.471 5 H41 MYR 1 1H4 MYR 1 2.453 -1.892 0.662 6 H42 MYR 1 2H4 MYR 1 0.987 -1.682 1.591 7 H51 MYR 1 1H5 MYR 1 0.191 -3.897 0.250 8 H52 MYR 1 2H5 MYR 1 1.919 -4.110 0.014 9 H61 MYR 1 1H6 MYR 1 1.416 -5.347 2.008 10 H62 MYR 1 2H6 MYR 1 2.189 -3.877 2.590 11 H71 MYR 1 1H7 MYR 1 -0.092 -2.879 3.063 12 H72 MYR 1 2H7 MYR 1 -0.852 -4.348 2.458 13 H81 MYR 1 1H8 MYR 1 0.188 -5.663 4.301 14 H82 MYR 1 2H8 MYR 1 1.012 -4.225 4.902 15 H91 MYR 1 1H9 MYR 1 -2.008 -4.127 4.532 16 H92 MYR 1 2H9 MYR 1 -1.011 -3.185 5.619 17 H101 MYR 1 1H10 MYR 1 -0.662 -5.192 7.074 18 H102 MYR 1 2H10 MYR 1 -1.535 -6.200 5.917 19 H111 MYR 1 1H11 MYR 1 -2.720 -3.853 7.519 20 H112 MYR 1 2H11 MYR 1 -3.585 -4.718 6.251 21 H121 MYR 1 1H12 MYR 1 -3.112 -6.891 7.617 22 H122 MYR 1 2H12 MYR 1 -2.628 -5.824 8.937 23 H131 MYR 1 1H13 MYR 1 -4.908 -4.719 8.851 24 H132 MYR 1 2H13 MYR 1 -5.371 -5.795 7.530 25 H141 MYR 1 1H14 MYR 1 -5.000 -7.781 9.070 26 H142 MYR 1 2H14 MYR 1 -4.671 -6.648 10.392 27 H143 MYR 1 3H14 MYR 1 -6.269 -6.686 9.626 28 H GLY 2 H GLY 2 2.094 0.712 1.654 29 HA2 GLY 2 1HA GLY 2 -0.105 1.078 3.438 30 HA3 GLY 2 2HA GLY 2 1.552 1.659 3.698 31 H GLN 3 H GLN 3 1.724 3.293 1.357 32 HA GLN 3 HA GLN 3 0.476 5.691 2.360 33 HB2 GLN 3 1HB GLN 3 1.754 5.096 -0.335 34 HB3 GLN 3 2HB GLN 3 1.298 6.703 0.249 35 HG2 GLN 3 1HG GLN 3 2.853 6.383 2.190 36 HG3 GLN 3 2HG GLN 3 3.382 4.860 1.466 37 HE21 GLN 3 2HE2 GLN 3 5.213 4.987 0.348 38 HE22 GLN 3 1HE2 GLN 3 5.774 6.424 -0.491 39 H GLU 4 H GLU 4 -0.388 3.325 -0.166 40 HA GLU 4 HA GLU 4 -2.564 4.888 -1.229 41 HB2 GLU 4 1HB GLU 4 -2.506 3.294 -2.779 42 HB3 GLU 4 2HB GLU 4 -1.244 2.478 -1.859 43 HG2 GLU 4 1HG GLU 4 -3.052 1.220 -0.619 44 HG3 GLU 4 2HG GLU 4 -4.240 1.960 -1.703 45 H LEU 5 H LEU 5 -2.220 2.531 1.422 46 HA LEU 5 HA LEU 5 -5.033 2.225 1.895 47 HB2 LEU 5 1HB LEU 5 -2.672 1.997 3.782 48 HB3 LEU 5 2HB LEU 5 -4.308 1.526 4.187 49 HG LEU 5 HG LEU 5 -2.612 0.247 2.029 50 HD11 LEU 5 1HD1 LEU 5 -2.436 -1.649 3.560 51 HD12 LEU 5 2HD1 LEU 5 -3.392 -0.780 4.781 52 HD13 LEU 5 3HD1 LEU 5 -1.781 -0.183 4.316 53 HD21 LEU 5 3HD2 LEU 5 -4.342 -1.526 2.030 54 HD22 LEU 5 1HD2 LEU 5 -4.958 0.033 1.461 55 HD23 LEU 5 2HD2 LEU 5 -5.341 -0.524 3.107 56 H SER 6 H SER 6 -2.629 4.599 3.066 57 HA SER 6 HA SER 6 -4.491 5.996 4.782 58 HB2 SER 6 1HB SER 6 -1.951 6.152 4.869 59 HB3 SER 6 2HB SER 6 -2.031 7.134 3.398 60 HG SER 6 HG SER 6 -3.539 8.492 4.643 61 H GLN 7 H GLN 7 -4.107 5.913 1.353 62 HA GLN 7 HA GLN 7 -5.372 8.578 1.012 63 HB2 GLN 7 1HB GLN 7 -3.386 7.772 -0.337 64 HB3 GLN 7 2HB GLN 7 -4.448 6.572 -1.078 65 HG2 GLN 7 1HG GLN 7 -5.796 8.305 -2.086 66 HG3 GLN 7 2HG GLN 7 -4.927 9.562 -1.188 67 HE21 GLN 7 2HE2 GLN 7 -4.771 7.280 -3.845 68 HE22 GLN 7 1HE2 GLN 7 -3.334 7.952 -4.575 69 H HIS 8 H HIS 8 -6.112 5.190 1.106 70 HA HIS 8 HA HIS 8 -8.535 5.420 -0.519 71 HB2 HIS 8 1HB HIS 8 -6.967 3.370 -0.186 72 HB3 HIS 8 2HB HIS 8 -7.836 3.109 1.316 73 HD1 HIS 8 HD1 HIS 8 -9.142 4.086 -2.190 74 HD2 HIS 8 HD2 HIS 8 -9.564 1.060 0.685 75 HE1 HIS 8 HE1 HIS 8 -10.892 2.458 -3.076 76 H GLU 9 H GLU 9 -10.049 6.703 0.316 77 HA GLU 9 HA GLU 9 -10.370 7.387 2.995 78 HB2 GLU 9 1HB GLU 9 -12.811 7.236 1.251 79 HB3 GLU 9 2HB GLU 9 -12.294 8.504 2.358 80 HG2 GLU 9 1HG GLU 9 -11.895 9.589 0.402 81 HG3 GLU 9 2HG GLU 9 -10.333 8.770 0.527 82 H ARG 10 H ARG 10 -11.985 4.728 1.248 83 HA ARG 10 HA ARG 10 -13.823 4.042 3.316 84 HB2 ARG 10 1HB ARG 10 -13.191 3.101 0.774 85 HB3 ARG 10 2HB ARG 10 -12.723 1.754 1.815 86 HG2 ARG 10 1HG ARG 10 -14.954 1.317 1.215 87 HG3 ARG 10 2HG ARG 10 -15.055 1.954 2.869 88 HD2 ARG 10 1HD ARG 10 -15.668 4.169 2.003 89 HD3 ARG 10 2HD ARG 10 -15.455 3.601 0.335 90 HE ARG 10 HE ARG 10 -17.337 1.914 1.625 91 HH11 ARG 10 1HH1 ARG 10 -17.140 5.251 0.487 92 HH12 ARG 10 2HH1 ARG 10 -18.856 5.350 0.199 93 HH21 ARG 10 1HH2 ARG 10 -19.517 2.117 1.235 94 HH22 ARG 10 2HH2 ARG 10 -20.175 3.612 0.627 95 H TYR 11 H TYR 11 -10.468 3.027 2.764 96 HA TYR 11 HA TYR 11 -10.444 1.094 4.913 97 HB2 TYR 11 1HB TYR 11 -8.928 1.247 2.845 98 HB3 TYR 11 2HB TYR 11 -8.063 2.529 3.692 99 HD1 TYR 11 HD1 TYR 11 -9.055 -1.066 3.888 100 HD2 TYR 11 HD2 TYR 11 -6.413 1.991 5.351 101 HE1 TYR 11 HE1 TYR 11 -7.660 -2.807 4.996 102 HE2 TYR 11 HE2 TYR 11 -5.018 0.238 6.463 103 HH TYR 11 HH TYR 11 -5.673 -3.239 6.072 104 H VAL 12 H VAL 12 -9.314 4.458 4.459 105 HA VAL 12 HA VAL 12 -8.190 4.874 7.018 106 HB VAL 12 HB VAL 12 -9.622 6.843 5.168 107 HG11 VAL 12 1HG1 VAL 12 -7.811 7.413 7.554 108 HG12 VAL 12 2HG1 VAL 12 -8.373 8.621 6.381 109 HG13 VAL 12 3HG1 VAL 12 -9.543 7.802 7.434 110 HG21 VAL 12 3HG2 VAL 12 -7.575 5.710 4.262 111 HG22 VAL 12 1HG2 VAL 12 -7.392 7.459 4.446 112 HG23 VAL 12 2HG2 VAL 12 -6.657 6.354 5.629 113 H GLU 13 H GLU 13 -11.618 5.205 5.962 114 HA GLU 13 HA GLU 13 -12.614 6.383 8.326 115 HB2 GLU 13 1HB GLU 13 -13.811 4.495 6.297 116 HB3 GLU 13 2HB GLU 13 -14.745 5.027 7.696 117 HG2 GLU 13 1HG GLU 13 -13.414 7.067 5.935 118 HG3 GLU 13 2HG GLU 13 -14.936 6.310 5.432 119 H GLN 14 H GLN 14 -12.083 2.901 7.618 120 HA GLN 14 HA GLN 14 -13.208 2.148 10.192 121 HB2 GLN 14 1HB GLN 14 -13.373 0.207 9.116 122 HB3 GLN 14 2HB GLN 14 -12.564 0.925 7.735 123 HG2 GLN 14 1HG GLN 14 -11.460 -1.111 8.252 124 HG3 GLN 14 2HG GLN 14 -10.380 0.218 8.659 125 HE21 GLN 14 2HE2 GLN 14 -13.144 -1.181 10.435 126 HE22 GLN 14 1HE2 GLN 14 -12.217 -1.644 11.838 127 H LEU 15 H LEU 15 -9.976 2.717 8.813 128 HA LEU 15 HA LEU 15 -8.478 1.754 11.046 129 HB2 LEU 15 1HB LEU 15 -7.998 3.426 8.648 130 HB3 LEU 15 2HB LEU 15 -6.890 3.689 9.973 131 HG LEU 15 HG LEU 15 -6.283 2.055 8.056 132 HD11 LEU 15 1HD1 LEU 15 -4.873 0.786 9.617 133 HD12 LEU 15 2HD1 LEU 15 -5.860 1.369 10.979 134 HD13 LEU 15 3HD1 LEU 15 -4.914 2.519 9.998 135 HD21 LEU 15 3HD2 LEU 15 -6.754 -0.306 8.515 136 HD22 LEU 15 1HD2 LEU 15 -8.245 0.583 8.172 137 HD23 LEU 15 2HD2 LEU 15 -7.835 0.136 9.847 138 H LYS 16 H LYS 16 -10.220 4.765 10.570 139 HA LYS 16 HA LYS 16 -8.887 6.409 12.466 140 HB2 LYS 16 1HB LYS 16 -11.820 6.142 11.741 141 HB3 LYS 16 2HB LYS 16 -11.258 7.309 12.932 142 HG2 LYS 16 1HG LYS 16 -9.950 8.491 11.294 143 HG3 LYS 16 2HG LYS 16 -10.259 7.250 10.078 144 HD2 LYS 16 1HD LYS 16 -12.700 7.746 10.216 145 HD3 LYS 16 2HD LYS 16 -12.335 9.067 11.342 146 HE2 LYS 16 1HE LYS 16 -10.932 10.149 9.593 147 HE3 LYS 16 2HE LYS 16 -11.323 8.821 8.477 148 HZ1 LYS 16 3HZ LYS 16 -12.762 10.712 8.090 149 HZ2 LYS 16 1HZ LYS 16 -13.297 10.700 9.650 150 HZ3 LYS 16 2HZ LYS 16 -13.660 9.442 8.643 151 H GLN 17 H GLN 17 -11.279 3.803 12.909 152 HA GLN 17 HA GLN 17 -11.329 4.274 15.798 153 HB2 GLN 17 1HB GLN 17 -12.486 2.031 14.113 154 HB3 GLN 17 2HB GLN 17 -12.794 2.288 15.836 155 HG2 GLN 17 1HG GLN 17 -13.552 4.208 13.590 156 HG3 GLN 17 2HG GLN 17 -14.651 3.118 14.441 157 HE21 GLN 17 2HE2 GLN 17 -15.374 3.631 16.493 158 HE22 GLN 17 1HE2 GLN 17 -15.091 5.187 17.229 159 H ALA 18 H ALA 18 -9.725 2.006 13.545 160 HA ALA 18 HA ALA 18 -8.820 0.221 15.582 161 HB1 ALA 18 3HB ALA 18 -7.246 -0.607 13.919 162 HB2 ALA 18 1HB ALA 18 -8.835 -0.323 13.166 163 HB3 ALA 18 2HB ALA 18 -7.507 0.839 12.908 164 H LEU 19 H LEU 19 -7.276 3.185 14.194 165 HA LEU 19 HA LEU 19 -4.846 2.915 15.713 166 HB2 LEU 19 1HB LEU 19 -6.236 5.144 14.271 167 HB3 LEU 19 2HB LEU 19 -5.107 5.602 15.538 168 HG LEU 19 HG LEU 19 -3.368 4.139 14.337 169 HD11 LEU 19 1HD1 LEU 19 -4.761 2.933 12.771 170 HD12 LEU 19 2HD1 LEU 19 -3.693 4.024 11.853 171 HD13 LEU 19 3HD1 LEU 19 -5.403 4.451 12.100 172 HD21 LEU 19 3HD2 LEU 19 -3.321 6.609 14.381 173 HD22 LEU 19 1HD2 LEU 19 -4.387 6.649 12.961 174 HD23 LEU 19 2HD2 LEU 19 -2.749 5.965 12.824 175 H LYS 20 H LYS 20 -8.001 4.446 16.454 176 HA LYS 20 HA LYS 20 -7.146 5.577 18.966 177 HB2 LYS 20 1HB LYS 20 -9.889 4.767 17.938 178 HB3 LYS 20 2HB LYS 20 -9.635 5.611 19.463 179 HG2 LYS 20 1HG LYS 20 -8.852 7.581 18.347 180 HG3 LYS 20 2HG LYS 20 -8.779 6.728 16.792 181 HD2 LYS 20 1HD LYS 20 -11.257 6.253 17.050 182 HD3 LYS 20 2HD LYS 20 -11.266 7.379 18.417 183 HE2 LYS 20 1HE LYS 20 -10.541 9.198 16.941 184 HE3 LYS 20 2HE LYS 20 -10.386 8.054 15.584 185 HZ1 LYS 20 3HZ LYS 20 -12.906 8.731 16.993 186 HZ2 LYS 20 1HZ LYS 20 -12.773 7.589 15.808 187 HZ3 LYS 20 2HZ LYS 20 -12.499 9.183 15.460 188 H THR 21 H THR 21 -8.756 2.450 18.180 189 HA THR 21 HA THR 21 -9.276 1.907 20.951 190 HB THR 21 HB THR 21 -10.488 0.877 18.935 191 HG1 THR 21 HG1 THR 21 -9.548 -0.726 21.093 192 HG21 THR 21 1HG2 THR 21 -8.217 -1.144 19.108 193 HG22 THR 21 2HG2 THR 21 -8.452 0.005 17.772 194 HG23 THR 21 3HG2 THR 21 -9.670 -1.241 18.093 195 H ARG 22 H ARG 22 -6.395 1.671 19.094 196 HA ARG 22 HA ARG 22 -5.098 -0.322 20.771 197 HB2 ARG 22 1HB ARG 22 -4.438 1.410 18.511 198 HB3 ARG 22 2HB ARG 22 -3.154 1.429 19.715 199 HG2 ARG 22 1HG ARG 22 -4.305 -1.069 18.441 200 HG3 ARG 22 2HG ARG 22 -2.808 -0.258 17.958 201 HD2 ARG 22 1HD ARG 22 -1.711 -1.516 19.436 202 HD3 ARG 22 2HD ARG 22 -2.540 -0.648 20.737 203 HE ARG 22 HE ARG 22 -4.389 -2.510 20.124 204 HH11 ARG 22 1HH1 ARG 22 -0.906 -2.949 20.617 205 HH12 ARG 22 2HH1 ARG 22 -1.123 -4.605 21.154 206 HH21 ARG 22 1HH2 ARG 22 -4.534 -4.613 20.851 207 HH22 ARG 22 2HH2 ARG 22 -3.077 -5.501 21.275 208 H GLY 23 H GLY 23 -5.920 3.029 21.108 209 HA2 GLY 23 1HA GLY 23 -5.654 4.396 22.955 210 HA3 GLY 23 2HA GLY 23 -4.703 3.131 23.752 211 H VAL 24 H VAL 24 -3.365 3.436 20.777 212 HA VAL 24 HA VAL 24 -1.130 4.993 21.909 213 HB VAL 24 HB VAL 24 -1.302 3.420 19.287 214 HG11 VAL 24 1HG1 VAL 24 1.156 3.558 19.299 215 HG12 VAL 24 2HG1 VAL 24 0.453 5.184 19.308 216 HG13 VAL 24 3HG1 VAL 24 1.118 4.499 20.809 217 HG21 VAL 24 3HG2 VAL 24 0.047 1.693 20.479 218 HG22 VAL 24 1HG2 VAL 24 -0.127 2.614 21.992 219 HG23 VAL 24 2HG2 VAL 24 -1.552 1.898 21.212 220 H LYS 25 H LYS 25 -0.815 7.071 21.395 221 HA LYS 25 HA LYS 25 -2.548 8.296 19.343 222 HB2 LYS 25 1HB LYS 25 -0.482 9.487 21.244 223 HB3 LYS 25 2HB LYS 25 -1.541 10.416 20.170 224 HG2 LYS 25 1HG LYS 25 -3.521 9.523 21.356 225 HG3 LYS 25 2HG LYS 25 -2.455 8.598 22.431 226 HD2 LYS 25 1HD LYS 25 -1.420 10.714 23.211 227 HD3 LYS 25 2HD LYS 25 -2.518 11.627 22.156 228 HE2 LYS 25 1HE LYS 25 -3.408 11.636 24.420 229 HE3 LYS 25 2HE LYS 25 -4.465 10.659 23.382 230 HZ1 LYS 25 3HZ LYS 25 -3.392 8.668 24.273 231 HZ2 LYS 25 1HZ LYS 25 -4.042 9.564 25.497 232 HZ3 LYS 25 2HZ LYS 25 -2.413 9.580 25.239 233 H VAL 26 H VAL 26 -1.647 7.247 17.499 234 HA VAL 26 HA VAL 26 1.086 8.210 16.744 235 HB VAL 26 HB VAL 26 0.578 6.403 14.817 236 HG11 VAL 26 1HG1 VAL 26 2.548 6.346 16.179 237 HG12 VAL 26 2HG1 VAL 26 1.627 5.825 17.603 238 HG13 VAL 26 3HG1 VAL 26 1.820 4.730 16.214 239 HG21 VAL 26 3HG2 VAL 26 -1.692 5.840 15.786 240 HG22 VAL 26 1HG2 VAL 26 -0.610 4.449 15.607 241 HG23 VAL 26 2HG2 VAL 26 -0.864 5.166 17.210 242 H LYS 27 H LYS 27 1.414 9.121 14.724 243 HA LYS 27 HA LYS 27 -0.859 10.617 13.663 244 HB2 LYS 27 1HB LYS 27 1.533 11.444 13.726 245 HB3 LYS 27 2HB LYS 27 1.944 10.221 12.523 246 HG2 LYS 27 1HG LYS 27 0.415 11.291 10.904 247 HG3 LYS 27 2HG LYS 27 -0.022 12.505 12.124 248 HD2 LYS 27 1HD LYS 27 2.376 13.193 12.251 249 HD3 LYS 27 2HD LYS 27 2.754 12.035 10.959 250 HE2 LYS 27 1HE LYS 27 1.217 13.245 9.431 251 HE3 LYS 27 2HE LYS 27 0.837 14.398 10.728 252 HZ1 LYS 27 3HZ LYS 27 2.534 15.268 9.235 253 HZ2 LYS 27 1HZ LYS 27 3.528 13.987 9.537 254 HZ3 LYS 27 2HZ LYS 27 3.174 15.058 10.740 255 H PHE 28 H PHE 28 -2.083 10.044 11.881 256 HA PHE 28 HA PHE 28 -2.299 7.350 11.100 257 HB2 PHE 28 1HB PHE 28 -3.491 9.882 10.455 258 HB3 PHE 28 2HB PHE 28 -3.051 9.125 8.922 259 HD1 PHE 28 HD2 PHE 28 -4.009 6.928 8.283 260 HD2 PHE 28 HD1 PHE 28 -5.288 9.036 11.802 261 HE1 PHE 28 HE2 PHE 28 -6.044 5.504 8.383 262 HE2 PHE 28 HE1 PHE 28 -7.334 7.634 11.903 263 HZ PHE 28 HZ PHE 28 -7.722 5.879 10.176 264 H ALA 29 H ALA 29 -0.653 10.023 9.379 265 HA ALA 29 HA ALA 29 0.192 8.510 7.163 266 HB1 ALA 29 3HB ALA 29 1.862 10.294 6.833 267 HB2 ALA 29 1HB ALA 29 0.282 10.983 7.269 268 HB3 ALA 29 2HB ALA 29 1.582 10.884 8.487 269 H ASP 30 H ASP 30 1.672 8.851 10.398 270 HA ASP 30 HA ASP 30 4.139 7.552 9.630 271 HB2 ASP 30 1HB ASP 30 3.876 9.095 11.602 272 HB3 ASP 30 2HB ASP 30 2.923 7.837 12.401 273 H LEU 31 H LEU 31 1.073 6.505 11.161 274 HA LEU 31 HA LEU 31 1.938 3.888 11.793 275 HB2 LEU 31 1HB LEU 31 -0.120 4.934 12.659 276 HB3 LEU 31 2HB LEU 31 -0.850 4.835 11.069 277 HG LEU 31 HG LEU 31 -1.522 3.146 12.906 278 HD11 LEU 31 1HD1 LEU 31 -2.245 2.975 10.547 279 HD12 LEU 31 2HD1 LEU 31 -2.010 1.396 11.311 280 HD13 LEU 31 3HD1 LEU 31 -0.790 2.021 10.183 281 HD21 LEU 31 3HD2 LEU 31 -0.274 1.084 13.023 282 HD22 LEU 31 1HD2 LEU 31 0.758 2.436 13.520 283 HD23 LEU 31 2HD2 LEU 31 0.954 1.708 11.904 284 H LEU 32 H LEU 32 0.101 5.083 8.961 285 HA LEU 32 HA LEU 32 0.211 2.555 7.612 286 HB2 LEU 32 1HB LEU 32 -0.319 5.376 6.712 287 HB3 LEU 32 2HB LEU 32 -0.141 4.092 5.544 288 HG LEU 32 HG LEU 32 -2.447 4.395 5.824 289 HD11 LEU 32 1HD1 LEU 32 -3.298 2.321 6.474 290 HD12 LEU 32 2HD1 LEU 32 -1.987 2.045 7.638 291 HD13 LEU 32 3HD1 LEU 32 -1.655 1.993 5.888 292 HD21 LEU 32 3HD2 LEU 32 -3.589 4.358 7.956 293 HD22 LEU 32 1HD2 LEU 32 -2.379 5.651 7.862 294 HD23 LEU 32 2HD2 LEU 32 -2.023 4.181 8.798 295 H LYS 33 H LYS 33 2.619 5.068 7.871 296 HA LYS 33 HA LYS 33 4.102 4.350 5.509 297 HB2 LYS 33 1HB LYS 33 5.296 6.105 6.143 298 HB3 LYS 33 2HB LYS 33 4.410 6.169 7.660 299 HG2 LYS 33 1HG LYS 33 6.060 4.692 8.722 300 HG3 LYS 33 2HG LYS 33 6.969 4.615 7.195 301 HD2 LYS 33 1HD LYS 33 7.303 7.042 7.249 302 HD3 LYS 33 2HD LYS 33 6.368 7.154 8.753 303 HE2 LYS 33 1HE LYS 33 8.927 5.538 8.427 304 HE3 LYS 33 2HE LYS 33 8.847 7.180 9.102 305 HZ1 LYS 33 3HZ LYS 33 8.807 5.573 10.865 306 HZ2 LYS 33 1HZ LYS 33 7.510 4.786 10.216 307 HZ3 LYS 33 2HZ LYS 33 7.331 6.317 10.805 308 H PHE 34 H PHE 34 3.882 2.878 8.732 309 HA PHE 34 HA PHE 34 6.210 1.201 8.304 310 HB2 PHE 34 1HB PHE 34 3.926 1.166 10.265 311 HB3 PHE 34 2HB PHE 34 5.061 -0.180 10.164 312 HD1 PHE 34 HD1 PHE 34 7.482 0.152 10.621 313 HD2 PHE 34 HD2 PHE 34 4.594 3.265 11.261 314 HE1 PHE 34 HE1 PHE 34 9.133 1.384 12.014 315 HE2 PHE 34 HE2 PHE 34 6.234 4.526 12.642 316 HZ PHE 34 HZ PHE 34 8.517 3.581 13.030 317 H PHE 35 H PHE 35 2.808 0.956 7.344 318 HA PHE 35 HA PHE 35 3.072 -1.849 6.586 319 HB2 PHE 35 1HB PHE 35 1.094 0.299 5.793 320 HB3 PHE 35 2HB PHE 35 1.055 -1.346 5.153 321 HD1 PHE 35 HD2 PHE 35 1.392 -3.185 7.235 322 HD2 PHE 35 HD1 PHE 35 -0.468 0.664 7.433 323 HE1 PHE 35 HE2 PHE 35 0.028 -3.948 9.166 324 HE2 PHE 35 HE1 PHE 35 -1.860 -0.080 9.350 325 HZ PHE 35 HZ PHE 35 -1.624 -2.392 10.217 326 H ASP 36 H ASP 36 3.829 1.273 5.141 327 HA ASP 36 HA ASP 36 4.162 0.173 2.465 328 HB2 ASP 36 1HB ASP 36 3.816 2.681 3.361 329 HB3 ASP 36 2HB ASP 36 5.586 2.667 3.292 330 H PHE 37 H PHE 37 6.084 0.345 5.365 331 HA PHE 37 HA PHE 37 8.654 -0.014 4.087 332 HB2 PHE 37 1HB PHE 37 8.356 0.836 6.402 333 HB3 PHE 37 2HB PHE 37 7.742 -0.745 6.895 334 HD1 PHE 37 HD1 PHE 37 10.764 0.905 5.394 335 HD2 PHE 37 HD2 PHE 37 9.216 -2.419 7.646 336 HE1 PHE 37 HE1 PHE 37 13.091 0.143 5.860 337 HE2 PHE 37 HE2 PHE 37 11.539 -3.189 8.118 338 HZ PHE 37 HZ PHE 37 13.483 -1.905 7.223 339 H VAL 38 H VAL 38 6.126 -2.251 5.304 340 HA VAL 38 HA VAL 38 7.740 -4.607 4.988 341 HB VAL 38 HB VAL 38 5.952 -5.768 5.729 342 HG11 VAL 38 1HG1 VAL 38 4.576 -3.122 5.946 343 HG12 VAL 38 2HG1 VAL 38 4.296 -4.556 6.943 344 HG13 VAL 38 3HG1 VAL 38 5.838 -3.687 7.064 345 HG21 VAL 38 3HG2 VAL 38 4.100 -4.314 3.800 346 HG22 VAL 38 1HG2 VAL 38 4.796 -5.941 3.581 347 HG23 VAL 38 2HG2 VAL 38 3.617 -5.649 4.868 348 H LYS 39 H LYS 39 5.970 -2.614 2.787 349 HA LYS 39 HA LYS 39 5.489 -4.475 0.727 350 HB2 LYS 39 1HB LYS 39 4.566 -2.160 0.930 351 HB3 LYS 39 2HB LYS 39 6.163 -1.537 0.564 352 HG2 LYS 39 1HG LYS 39 6.055 -2.577 -1.691 353 HG3 LYS 39 2HG LYS 39 4.393 -3.090 -1.324 354 HD2 LYS 39 1HD LYS 39 4.202 -1.022 -2.528 355 HD3 LYS 39 2HD LYS 39 3.875 -0.650 -0.827 356 HE2 LYS 39 1HE LYS 39 6.308 0.068 -0.601 357 HE3 LYS 39 2HE LYS 39 6.455 -0.110 -2.359 358 HZ1 LYS 39 3HZ LYS 39 5.958 2.161 -1.719 359 HZ2 LYS 39 1HZ LYS 39 4.591 1.703 -0.922 360 HZ3 LYS 39 2HZ LYS 39 4.680 1.551 -2.569 361 H ASP 40 H ASP 40 8.299 -2.472 1.515 362 HA ASP 40 HA ASP 40 9.801 -2.946 -0.877 363 HB2 ASP 40 1HB ASP 40 10.199 -1.090 0.733 364 HB3 ASP 40 2HB ASP 40 10.722 -2.266 1.947 365 H THR 41 H THR 41 10.046 -4.383 2.408 366 HA THR 41 HA THR 41 12.089 -6.239 1.605 367 HB THR 41 HB THR 41 10.301 -6.686 3.997 368 HG1 THR 41 HG1 THR 41 12.082 -4.528 3.512 369 HG21 THR 41 1HG2 THR 41 12.444 -7.202 5.058 370 HG22 THR 41 2HG2 THR 41 13.307 -6.747 3.572 371 HG23 THR 41 3HG2 THR 41 12.234 -8.162 3.579 372 H CYS 42 H CYS 42 8.601 -6.355 1.571 373 HA CYS 42 HA CYS 42 8.749 -9.195 0.655 374 HB2 CYS 42 1HB CYS 42 6.617 -7.909 2.385 375 HB3 CYS 42 2HB CYS 42 6.552 -9.548 1.722 376 HG CYS 42 HG CYS 42 8.881 -8.296 3.663 377 HA PRO 43 HA PRO 43 6.476 -6.676 -2.489 378 HB2 PRO 43 1HB PRO 43 7.696 -7.644 -4.728 379 HB3 PRO 43 2HB PRO 43 8.421 -6.334 -3.738 380 HG2 PRO 43 1HG PRO 43 8.995 -9.293 -3.664 381 HG3 PRO 43 2HG PRO 43 10.147 -7.926 -3.794 382 HD2 PRO 43 1HD PRO 43 9.601 -9.126 -1.422 383 HD3 PRO 43 2HD PRO 43 9.899 -7.352 -1.537 384 H TRP 44 H TRP 44 7.128 -10.006 -1.868 385 HA TRP 44 HA TRP 44 5.079 -11.056 -3.663 386 HB2 TRP 44 1HB TRP 44 5.616 -13.140 -2.147 387 HB3 TRP 44 2HB TRP 44 6.742 -12.600 -3.405 388 HD1 TRP 44 HD1 TRP 44 6.215 -11.981 0.365 389 HE1 TRP 44 HE1 TRP 44 8.475 -11.662 1.530 390 HE3 TRP 44 HE3 TRP 44 9.146 -12.261 -3.789 391 HZ2 TRP 44 HZ2 TRP 44 11.208 -11.498 0.724 392 HZ3 TRP 44 HZ3 TRP 44 11.622 -11.982 -3.539 393 HH2 TRP 44 HH2 TRP 44 12.631 -11.603 -1.288 394 H PHE 45 H PHE 45 5.055 -9.568 -0.554 395 HA PHE 45 HA PHE 45 2.931 -11.145 0.584 396 HB2 PHE 45 1HB PHE 45 4.408 -9.657 1.896 397 HB3 PHE 45 2HB PHE 45 3.650 -8.250 1.154 398 HD1 PHE 45 HD2 PHE 45 3.252 -10.998 3.570 399 HD2 PHE 45 HD1 PHE 45 1.352 -7.599 1.743 400 HE1 PHE 45 HE2 PHE 45 1.525 -11.006 5.361 401 HE2 PHE 45 HE1 PHE 45 -0.393 -7.619 3.510 402 HZ PHE 45 HZ PHE 45 -0.308 -9.318 5.334 403 HA PRO 46 HA PRO 46 -0.147 -8.143 -1.204 404 HB2 PRO 46 1HB PRO 46 0.409 -6.509 -3.312 405 HB3 PRO 46 2HB PRO 46 0.652 -5.992 -1.612 406 HG2 PRO 46 1HG PRO 46 2.661 -7.121 -3.538 407 HG3 PRO 46 2HG PRO 46 2.751 -5.617 -2.562 408 HD2 PRO 46 1HD PRO 46 3.911 -7.886 -1.717 409 HD3 PRO 46 2HD PRO 46 3.079 -6.797 -0.562 410 H GLN 47 H GLN 47 2.322 -9.627 -3.240 411 HA GLN 47 HA GLN 47 0.643 -10.239 -5.487 412 HB2 GLN 47 1HB GLN 47 3.159 -10.361 -5.409 413 HB3 GLN 47 2HB GLN 47 3.012 -11.799 -4.399 414 HG2 GLN 47 1HG GLN 47 1.839 -12.970 -6.215 415 HG3 GLN 47 2HG GLN 47 1.988 -11.526 -7.233 416 HE21 GLN 47 2HE2 GLN 47 3.463 -11.934 -8.755 417 HE22 GLN 47 1HE2 GLN 47 5.028 -12.655 -8.470 418 H GLU 48 H GLU 48 1.460 -12.009 -2.458 419 HA GLU 48 HA GLU 48 -0.237 -14.273 -3.035 420 HB2 GLU 48 1HB GLU 48 0.817 -13.090 -0.436 421 HB3 GLU 48 2HB GLU 48 -0.196 -14.535 -0.497 422 HG2 GLU 48 1HG GLU 48 1.493 -15.657 -1.929 423 HG3 GLU 48 2HG GLU 48 2.542 -14.241 -1.790 424 H GLY 49 H GLY 49 -0.694 -11.096 -1.489 425 HA2 GLY 49 1HA GLY 49 -2.613 -9.873 -1.169 426 HA3 GLY 49 2HA GLY 49 -3.325 -10.858 -2.436 427 H THR 50 H THR 50 -2.170 -12.080 0.646 428 HA THR 50 HA THR 50 -4.991 -12.682 1.458 429 HB THR 50 HB THR 50 -2.545 -14.489 1.615 430 HG1 THR 50 HG1 THR 50 -3.942 -14.098 -0.439 431 HG21 THR 50 1HG2 THR 50 -5.404 -14.918 2.502 432 HG22 THR 50 2HG2 THR 50 -3.928 -14.952 3.505 433 HG23 THR 50 3HG2 THR 50 -4.211 -16.225 2.300 434 H ILE 51 H ILE 51 -5.382 -12.142 3.575 435 HA ILE 51 HA ILE 51 -2.966 -11.273 5.132 436 HB ILE 51 HB ILE 51 -5.821 -10.324 5.416 437 HG12 ILE 51 1HG1 ILE 51 -4.860 -9.479 3.364 438 HG13 ILE 51 2HG1 ILE 51 -5.035 -8.241 4.574 439 HG21 ILE 51 1HG2 ILE 51 -3.237 -9.495 6.845 440 HG22 ILE 51 2HG2 ILE 51 -4.760 -8.577 6.917 441 HG23 ILE 51 3HG2 ILE 51 -4.690 -10.218 7.579 442 HD11 ILE 51 3HD1 ILE 51 -2.438 -9.531 3.809 443 HD12 ILE 51 1HD1 ILE 51 -3.036 -7.954 3.258 444 HD13 ILE 51 2HD1 ILE 51 -2.658 -8.200 4.976 445 H ASP 52 H ASP 52 -2.389 -12.746 6.372 446 HA ASP 52 HA ASP 52 -4.162 -13.562 8.545 447 HB2 ASP 52 1HB ASP 52 -4.574 -15.357 6.829 448 HB3 ASP 52 2HB ASP 52 -2.840 -15.723 6.873 449 H ILE 53 H ILE 53 -2.891 -14.763 10.206 450 HA ILE 53 HA ILE 53 -0.439 -13.363 10.629 451 HB ILE 53 HB ILE 53 -2.018 -14.147 12.391 452 HG12 ILE 53 1HG1 ILE 53 -0.267 -14.896 14.008 453 HG13 ILE 53 2HG1 ILE 53 0.844 -15.067 12.659 454 HG21 ILE 53 1HG2 ILE 53 -1.983 -16.434 13.209 455 HG22 ILE 53 2HG2 ILE 53 -2.496 -16.406 11.510 456 HG23 ILE 53 3HG2 ILE 53 -0.838 -16.906 11.934 457 HD11 ILE 53 3HD1 ILE 53 -0.498 -12.450 13.312 458 HD12 ILE 53 1HD1 ILE 53 1.046 -12.962 14.018 459 HD13 ILE 53 2HD1 ILE 53 0.915 -12.740 12.267 460 H LYS 54 H LYS 54 -1.202 -16.502 9.215 461 HA LYS 54 HA LYS 54 1.443 -17.625 9.321 462 HB2 LYS 54 1HB LYS 54 -0.741 -17.875 7.222 463 HB3 LYS 54 2HB LYS 54 0.711 -18.884 7.267 464 HG2 LYS 54 1HG LYS 54 0.031 -19.911 9.337 465 HG3 LYS 54 2HG LYS 54 -1.279 -18.736 9.550 466 HD2 LYS 54 1HD LYS 54 -2.289 -19.561 7.402 467 HD3 LYS 54 2HD LYS 54 -1.084 -20.867 7.395 468 HE2 LYS 54 1HE LYS 54 -1.935 -21.678 9.554 469 HE3 LYS 54 2HE LYS 54 -3.063 -20.306 9.642 470 HZ1 LYS 54 3HZ LYS 54 -4.159 -21.141 7.662 471 HZ2 LYS 54 1HZ LYS 54 -4.160 -22.302 8.833 472 HZ3 LYS 54 2HZ LYS 54 -3.116 -22.415 7.558 473 H ARG 55 H ARG 55 -0.103 -15.317 7.115 474 HA ARG 55 HA ARG 55 2.185 -15.222 5.303 475 HB2 ARG 55 1HB ARG 55 -0.446 -14.656 5.048 476 HB3 ARG 55 2HB ARG 55 0.138 -13.034 5.417 477 HG2 ARG 55 1HG ARG 55 0.769 -12.773 3.298 478 HG3 ARG 55 2HG ARG 55 1.864 -14.165 3.420 479 HD2 ARG 55 1HD ARG 55 -1.111 -14.506 2.993 480 HD3 ARG 55 2HD ARG 55 -0.011 -14.224 1.641 481 HE ARG 55 HE ARG 55 0.977 -16.360 3.233 482 HH11 ARG 55 1HH1 ARG 55 -1.576 -15.731 0.874 483 HH12 ARG 55 2HH1 ARG 55 -1.615 -17.389 0.353 484 HH21 ARG 55 1HH2 ARG 55 0.868 -18.444 2.497 485 HH22 ARG 55 2HH2 ARG 55 -0.268 -18.889 1.257 486 H TRP 56 H TRP 56 0.834 -13.229 7.932 487 HA TRP 56 HA TRP 56 2.664 -11.063 7.676 488 HB2 TRP 56 1HB TRP 56 0.473 -11.166 8.942 489 HB3 TRP 56 2HB TRP 56 1.336 -12.019 10.226 490 HD1 TRP 56 HD1 TRP 56 2.383 -10.479 12.029 491 HE1 TRP 56 HE1 TRP 56 2.934 -8.008 12.311 492 HE3 TRP 56 HE3 TRP 56 1.271 -8.981 7.267 493 HZ2 TRP 56 HZ2 TRP 56 2.925 -5.678 10.665 494 HZ3 TRP 56 HZ3 TRP 56 1.579 -6.570 6.665 495 HH2 TRP 56 HH2 TRP 56 2.403 -4.941 8.366 496 H ARG 57 H ARG 57 2.975 -14.188 9.349 497 HA ARG 57 HA ARG 57 5.249 -13.491 10.935 498 HB2 ARG 57 1HB ARG 57 4.156 -16.070 9.884 499 HB3 ARG 57 2HB ARG 57 5.700 -16.023 10.757 500 HG2 ARG 57 1HG ARG 57 4.709 -15.272 12.750 501 HG3 ARG 57 2HG ARG 57 3.249 -14.702 11.924 502 HD2 ARG 57 1HD ARG 57 2.636 -17.010 11.398 503 HD3 ARG 57 2HD ARG 57 4.074 -17.581 12.267 504 HE ARG 57 HE ARG 57 2.495 -15.868 13.949 505 HH11 ARG 57 1HH1 ARG 57 2.428 -19.141 12.650 506 HH12 ARG 57 2HH1 ARG 57 1.341 -19.709 13.890 507 HH21 ARG 57 1HH2 ARG 57 1.060 -16.652 15.484 508 HH22 ARG 57 2HH2 ARG 57 0.606 -18.329 15.472 509 H ARG 58 H ARG 58 5.032 -14.772 7.622 510 HA ARG 58 HA ARG 58 7.813 -14.986 7.116 511 HB2 ARG 58 1HB ARG 58 5.591 -14.122 5.231 512 HB3 ARG 58 2HB ARG 58 7.243 -14.475 4.739 513 HG2 ARG 58 1HG ARG 58 6.952 -16.805 5.646 514 HG3 ARG 58 2HG ARG 58 5.234 -16.423 5.903 515 HD2 ARG 58 1HD ARG 58 5.453 -17.519 3.742 516 HD3 ARG 58 2HD ARG 58 5.071 -15.807 3.467 517 HE ARG 58 HE ARG 58 7.933 -16.491 3.488 518 HH11 ARG 58 1HH1 ARG 58 5.089 -15.925 1.430 519 HH12 ARG 58 2HH1 ARG 58 6.076 -15.652 0.022 520 HH21 ARG 58 1HH2 ARG 58 9.096 -16.116 1.644 521 HH22 ARG 58 2HH2 ARG 58 8.293 -15.748 0.142 522 H VAL 59 H VAL 59 5.794 -12.082 7.256 523 HA VAL 59 HA VAL 59 7.664 -10.361 5.912 524 HB VAL 59 HB VAL 59 5.589 -9.649 8.032 525 HG11 VAL 59 1HG1 VAL 59 7.222 -7.874 7.649 526 HG12 VAL 59 2HG1 VAL 59 6.894 -7.942 5.905 527 HG13 VAL 59 3HG1 VAL 59 5.618 -7.434 7.042 528 HG21 VAL 59 3HG2 VAL 59 5.360 -9.798 5.016 529 HG22 VAL 59 1HG2 VAL 59 4.528 -10.826 6.206 530 HG23 VAL 59 2HG2 VAL 59 4.134 -9.102 6.104 531 H GLY 60 H GLY 60 7.156 -11.350 9.286 532 HA2 GLY 60 1HA GLY 60 9.136 -9.530 10.330 533 HA3 GLY 60 2HA GLY 60 8.412 -10.925 11.161 534 H ASP 61 H ASP 61 9.134 -12.905 9.202 535 HA ASP 61 HA ASP 61 11.800 -13.551 10.007 536 HB2 ASP 61 1HB ASP 61 10.231 -14.504 7.569 537 HB3 ASP 61 2HB ASP 61 11.687 -15.270 8.216 538 H CYS 62 H CYS 62 10.411 -11.983 7.134 539 HA CYS 62 HA CYS 62 12.814 -11.704 5.628 540 HB2 CYS 62 1HB CYS 62 10.068 -10.825 5.524 541 HB3 CYS 62 2HB CYS 62 11.121 -9.451 5.196 542 HG CYS 62 HG CYS 62 10.642 -10.114 2.896 543 H PHE 63 H PHE 63 11.250 -9.479 8.014 544 HA PHE 63 HA PHE 63 13.222 -7.408 7.693 545 HB2 PHE 63 1HB PHE 63 11.579 -8.145 10.145 546 HB3 PHE 63 2HB PHE 63 12.542 -6.682 9.983 547 HD1 PHE 63 HD1 PHE 63 11.808 -6.064 7.016 548 HD2 PHE 63 HD2 PHE 63 9.465 -7.098 10.483 549 HE1 PHE 63 HE1 PHE 63 9.873 -4.829 6.075 550 HE2 PHE 63 HE2 PHE 63 7.536 -5.842 9.550 551 HZ PHE 63 HZ PHE 63 7.741 -4.706 7.349 552 H GLN 64 H GLN 64 13.046 -10.323 9.731 553 HA GLN 64 HA GLN 64 15.271 -9.670 11.402 554 HB2 GLN 64 1HB GLN 64 13.604 -11.424 11.896 555 HB3 GLN 64 2HB GLN 64 14.189 -12.370 10.528 556 HG2 GLN 64 1HG GLN 64 16.372 -12.640 11.596 557 HG3 GLN 64 2HG GLN 64 15.836 -11.638 12.960 558 HE21 GLN 64 2HE2 GLN 64 15.076 -14.622 11.169 559 HE22 GLN 64 1HE2 GLN 64 14.410 -15.468 12.545 560 H ASP 65 H ASP 65 15.039 -11.458 8.297 561 HA ASP 65 HA ASP 65 17.798 -12.209 8.239 562 HB2 ASP 65 1HB ASP 65 15.847 -13.061 6.839 563 HB3 ASP 65 2HB ASP 65 16.044 -11.626 5.834 564 H TYR 66 H TYR 66 16.015 -9.488 6.784 565 HA TYR 66 HA TYR 66 18.218 -8.221 5.531 566 HB2 TYR 66 1HB TYR 66 15.671 -7.857 5.361 567 HB3 TYR 66 2HB TYR 66 15.824 -6.837 6.779 568 HD1 TYR 66 HD2 TYR 66 18.779 -6.401 4.740 569 HD2 TYR 66 HD1 TYR 66 14.609 -5.322 4.978 570 HE1 TYR 66 HE2 TYR 66 19.169 -4.484 3.203 571 HE2 TYR 66 HE1 TYR 66 15.022 -3.414 3.435 572 HH TYR 66 HH TYR 66 16.487 -2.392 2.073 573 H PHE 67 H PHE 67 16.929 -8.041 8.841 574 HA PHE 67 HA PHE 67 18.663 -5.896 9.726 575 HB2 PHE 67 1HB PHE 67 16.556 -6.511 10.828 576 HB3 PHE 67 2HB PHE 67 17.233 -8.077 11.283 577 HD1 PHE 67 HD2 PHE 67 19.027 -8.224 13.012 578 HD2 PHE 67 HD1 PHE 67 17.082 -4.508 12.064 579 HE1 PHE 67 HE2 PHE 67 19.882 -7.238 15.133 580 HE2 PHE 67 HE1 PHE 67 17.900 -3.527 14.186 581 HZ PHE 67 HZ PHE 67 19.318 -4.882 15.728 582 H ASN 68 H ASN 68 18.991 -9.499 9.819 583 HA ASN 68 HA ASN 68 21.327 -9.317 11.518 584 HB2 ASN 68 1HB ASN 68 21.180 -11.538 11.607 585 HB3 ASN 68 2HB ASN 68 19.669 -11.376 10.719 586 HD21 ASN 68 2HD2 ASN 68 19.572 -12.091 8.619 587 HD22 ASN 68 1HD2 ASN 68 20.878 -12.947 7.845 588 H THR 69 H THR 69 20.779 -9.316 8.063 589 HA THR 69 HA THR 69 23.481 -9.683 7.250 590 HB THR 69 HB THR 69 21.306 -8.106 5.789 591 HG1 THR 69 HG1 THR 69 20.517 -10.161 6.294 592 HG21 THR 69 1HG2 THR 69 23.529 -7.910 4.742 593 HG22 THR 69 2HG2 THR 69 22.471 -8.954 3.769 594 HG23 THR 69 3HG2 THR 69 23.722 -9.679 4.803 595 H PHE 70 H PHE 70 21.689 -6.644 8.009 596 HA PHE 70 HA PHE 70 24.298 -5.207 7.631 597 HB2 PHE 70 1HB PHE 70 21.500 -4.278 7.005 598 HB3 PHE 70 2HB PHE 70 22.955 -3.279 6.878 599 HD1 PHE 70 HD2 PHE 70 24.875 -4.250 5.353 600 HD2 PHE 70 HD1 PHE 70 20.743 -5.417 5.127 601 HE1 PHE 70 HE2 PHE 70 25.232 -5.028 3.013 602 HE2 PHE 70 HE1 PHE 70 21.078 -6.185 2.780 603 HZ PHE 70 HZ PHE 70 23.328 -5.989 1.716 604 H GLY 71 H GLY 71 22.206 -6.009 10.095 605 HA2 GLY 71 1HA GLY 71 22.255 -5.223 12.267 606 HA3 GLY 71 2HA GLY 71 23.330 -3.915 11.762 607 HA PRO 72 HA PRO 72 19.086 -2.248 12.761 608 HB2 PRO 72 1HB PRO 72 19.818 -0.435 14.661 609 HB3 PRO 72 2HB PRO 72 19.573 -2.171 15.044 610 HG2 PRO 72 1HG PRO 72 22.132 -0.724 14.427 611 HG3 PRO 72 2HG PRO 72 21.744 -1.781 15.821 612 HD2 PRO 72 1HD PRO 72 23.060 -2.725 13.667 613 HD3 PRO 72 2HD PRO 72 21.827 -3.728 14.510 614 H GLU 73 H GLU 73 22.059 -1.041 11.606 615 HA GLU 73 HA GLU 73 21.334 1.702 11.155 616 HB2 GLU 73 1HB GLU 73 23.291 -0.017 9.585 617 HB3 GLU 73 2HB GLU 73 23.290 1.744 9.727 618 HG2 GLU 73 1HG GLU 73 23.915 -0.286 11.904 619 HG3 GLU 73 2HG GLU 73 25.051 0.816 11.116 620 H LYS 74 H LYS 74 20.494 -1.298 9.643 621 HA LYS 74 HA LYS 74 19.616 0.138 7.180 622 HB2 LYS 74 1HB LYS 74 21.171 -1.870 7.097 623 HB3 LYS 74 2HB LYS 74 19.792 -2.849 7.605 624 HG2 LYS 74 1HG LYS 74 19.876 -3.061 5.269 625 HG3 LYS 74 2HG LYS 74 18.567 -1.902 5.558 626 HD2 LYS 74 1HD LYS 74 20.146 -0.036 5.107 627 HD3 LYS 74 2HD LYS 74 21.438 -1.220 4.809 628 HE2 LYS 74 1HE LYS 74 20.120 -2.180 2.957 629 HE3 LYS 74 2HE LYS 74 18.837 -0.988 3.258 630 HZ1 LYS 74 3HZ LYS 74 20.442 0.756 2.767 631 HZ2 LYS 74 1HZ LYS 74 20.296 -0.275 1.486 632 HZ3 LYS 74 2HZ LYS 74 21.620 -0.359 2.468 633 H VAL 75 H VAL 75 18.446 -2.218 9.634 634 HA VAL 75 HA VAL 75 15.678 -1.403 8.790 635 HB VAL 75 HB VAL 75 16.606 -4.021 10.077 636 HG11 VAL 75 1HG1 VAL 75 14.359 -3.395 10.874 637 HG12 VAL 75 2HG1 VAL 75 13.814 -3.156 9.197 638 HG13 VAL 75 3HG1 VAL 75 14.261 -4.779 9.770 639 HG21 VAL 75 3HG2 VAL 75 15.599 -3.425 7.273 640 HG22 VAL 75 1HG2 VAL 75 17.217 -4.001 7.739 641 HG23 VAL 75 2HG2 VAL 75 15.810 -5.053 7.954 642 HA PRO 76 HA PRO 76 16.132 0.100 12.896 643 HB2 PRO 76 1HB PRO 76 13.776 1.332 13.333 644 HB3 PRO 76 2HB PRO 76 14.956 1.974 12.167 645 HG2 PRO 76 1HG PRO 76 12.513 0.333 11.660 646 HG3 PRO 76 2HG PRO 76 13.065 1.814 10.829 647 HD2 PRO 76 1HD PRO 76 13.503 -0.723 9.860 648 HD3 PRO 76 2HD PRO 76 14.613 0.655 9.545 649 H VAL 77 H VAL 77 15.575 -0.491 15.029 650 HA VAL 77 HA VAL 77 14.217 -2.986 15.330 651 HB VAL 77 HB VAL 77 14.417 -2.574 17.780 652 HG11 VAL 77 1HG1 VAL 77 16.872 -2.643 17.828 653 HG12 VAL 77 2HG1 VAL 77 16.264 -3.592 16.456 654 HG13 VAL 77 3HG1 VAL 77 16.954 -1.975 16.183 655 HG21 VAL 77 3HG2 VAL 77 14.117 -0.104 17.751 656 HG22 VAL 77 1HG2 VAL 77 15.606 -0.585 18.582 657 HG23 VAL 77 2HG2 VAL 77 15.691 0.068 16.934 658 H THR 78 H THR 78 13.010 0.288 15.230 659 HA THR 78 HA THR 78 10.570 -0.282 16.677 660 HB THR 78 HB THR 78 11.311 2.034 16.369 661 HG1 THR 78 HG1 THR 78 9.289 2.841 16.012 662 HG21 THR 78 1HG2 THR 78 12.223 2.283 14.247 663 HG22 THR 78 2HG2 THR 78 10.693 3.155 14.158 664 HG23 THR 78 3HG2 THR 78 10.820 1.537 13.448 665 H ALA 79 H ALA 79 11.677 -0.956 13.413 666 HA ALA 79 HA ALA 79 9.050 -1.163 12.265 667 HB1 ALA 79 3HB ALA 79 11.640 -2.584 11.583 668 HB2 ALA 79 1HB ALA 79 10.178 -2.560 10.567 669 HB3 ALA 79 2HB ALA 79 11.054 -1.049 10.905 670 H PHE 80 H PHE 80 11.111 -3.413 14.127 671 HA PHE 80 HA PHE 80 9.313 -5.662 13.832 672 HB2 PHE 80 1HB PHE 80 11.363 -5.055 15.994 673 HB3 PHE 80 2HB PHE 80 10.567 -6.611 15.737 674 HD1 PHE 80 HD1 PHE 80 13.060 -4.239 14.436 675 HD2 PHE 80 HD2 PHE 80 11.202 -8.069 13.887 676 HE1 PHE 80 HE1 PHE 80 14.875 -4.864 12.888 677 HE2 PHE 80 HE2 PHE 80 13.009 -8.725 12.315 678 HZ PHE 80 HZ PHE 80 14.838 -7.123 11.795 679 H SER 81 H SER 81 9.592 -2.941 16.067 680 HA SER 81 HA SER 81 7.834 -4.010 18.087 681 HB2 SER 81 1HB SER 81 9.405 -2.115 18.483 682 HB3 SER 81 2HB SER 81 8.435 -1.104 17.392 683 HG SER 81 HG SER 81 7.610 -2.278 19.846 684 H TYR 82 H TYR 82 7.377 -1.785 15.314 685 HA TYR 82 HA TYR 82 4.537 -1.532 15.620 686 HB2 TYR 82 1HB TYR 82 6.560 -1.045 13.469 687 HB3 TYR 82 2HB TYR 82 4.866 -1.213 12.973 688 HD1 TYR 82 HD2 TYR 82 7.186 0.838 15.100 689 HD2 TYR 82 HD1 TYR 82 3.240 0.420 13.416 690 HE1 TYR 82 HE2 TYR 82 6.662 3.191 15.735 691 HE2 TYR 82 HE1 TYR 82 2.738 2.797 14.058 692 HH TYR 82 HH TYR 82 5.149 4.950 15.471 693 H TRP 83 H TRP 83 6.604 -3.782 13.732 694 HA TRP 83 HA TRP 83 4.530 -5.126 12.413 695 HB2 TRP 83 1HB TRP 83 6.936 -5.463 11.954 696 HB3 TRP 83 2HB TRP 83 7.149 -6.197 13.537 697 HD1 TRP 83 HD1 TRP 83 5.655 -6.996 10.100 698 HE1 TRP 83 HE1 TRP 83 5.321 -9.507 9.859 699 HE3 TRP 83 HE3 TRP 83 6.807 -8.341 14.909 700 HZ2 TRP 83 HZ2 TRP 83 5.556 -11.787 11.521 701 HZ3 TRP 83 HZ3 TRP 83 6.786 -10.755 15.509 702 HH2 TRP 83 HH2 TRP 83 6.159 -12.469 13.812 703 H ASN 84 H ASN 84 5.789 -5.547 15.700 704 HA ASN 84 HA ASN 84 4.355 -7.976 16.268 705 HB2 ASN 84 1HB ASN 84 5.942 -5.988 17.800 706 HB3 ASN 84 2HB ASN 84 4.738 -6.895 18.724 707 HD21 ASN 84 2HD2 ASN 84 7.807 -6.982 17.213 708 HD22 ASN 84 1HD2 ASN 84 8.165 -8.660 17.571 709 H LEU 85 H LEU 85 3.539 -4.549 16.545 710 HA LEU 85 HA LEU 85 1.231 -4.854 18.209 711 HB2 LEU 85 1HB LEU 85 2.428 -2.738 17.699 712 HB3 LEU 85 2HB LEU 85 1.845 -2.801 16.049 713 HG LEU 85 HG LEU 85 -0.154 -2.720 18.283 714 HD11 LEU 85 1HD1 LEU 85 1.480 -0.974 18.846 715 HD12 LEU 85 2HD1 LEU 85 -0.017 -0.236 18.241 716 HD13 LEU 85 3HD1 LEU 85 1.410 -0.342 17.185 717 HD21 LEU 85 3HD2 LEU 85 -1.410 -1.371 16.594 718 HD22 LEU 85 1HD2 LEU 85 -0.996 -2.978 15.989 719 HD23 LEU 85 2HD2 LEU 85 -0.061 -1.564 15.456 720 H ILE 86 H ILE 86 1.698 -4.967 14.651 721 HA ILE 86 HA ILE 86 -1.151 -5.494 14.232 722 HB ILE 86 HB ILE 86 1.208 -5.630 12.308 723 HG12 ILE 86 1HG1 ILE 86 -0.446 -3.662 11.436 724 HG13 ILE 86 2HG1 ILE 86 -0.762 -3.534 13.156 725 HG21 ILE 86 1HG2 ILE 86 -1.804 -5.915 11.831 726 HG22 ILE 86 2HG2 ILE 86 -0.602 -5.645 10.536 727 HG23 ILE 86 3HG2 ILE 86 -0.544 -7.125 11.501 728 HD11 ILE 86 3HD1 ILE 86 2.077 -3.513 12.097 729 HD12 ILE 86 1HD1 ILE 86 1.072 -2.042 12.096 730 HD13 ILE 86 2HD1 ILE 86 1.436 -2.865 13.625 731 H LYS 87 H LYS 87 1.801 -7.380 14.642 732 HA LYS 87 HA LYS 87 0.916 -9.879 13.677 733 HB2 LYS 87 1HB LYS 87 3.222 -9.330 14.449 734 HB3 LYS 87 2HB LYS 87 2.619 -9.222 16.093 735 HG2 LYS 87 1HG LYS 87 1.891 -11.697 15.707 736 HG3 LYS 87 2HG LYS 87 3.127 -11.620 14.429 737 HD2 LYS 87 1HD LYS 87 4.488 -12.180 16.211 738 HD3 LYS 87 2HD LYS 87 4.503 -10.426 16.391 739 HE2 LYS 87 1HE LYS 87 2.604 -10.578 18.008 740 HE3 LYS 87 2HE LYS 87 2.659 -12.349 17.878 741 HZ1 LYS 87 3HZ LYS 87 4.898 -10.642 18.817 742 HZ2 LYS 87 1HZ LYS 87 4.895 -12.294 18.770 743 HZ3 LYS 87 2HZ LYS 87 3.885 -11.496 19.804 744 H GLU 88 H GLU 88 0.553 -8.465 17.000 745 HA GLU 88 HA GLU 88 -0.989 -10.762 17.851 746 HB2 GLU 88 1HB GLU 88 -1.429 -9.540 19.871 747 HB3 GLU 88 2HB GLU 88 0.267 -9.351 19.424 748 HG2 GLU 88 1HG GLU 88 -0.224 -7.109 18.533 749 HG3 GLU 88 2HG GLU 88 -1.921 -7.296 19.001 750 H LEU 89 H LEU 89 -1.835 -7.720 16.253 751 HA LEU 89 HA LEU 89 -4.635 -7.831 16.844 752 HB2 LEU 89 1HB LEU 89 -2.988 -6.522 14.712 753 HB3 LEU 89 2HB LEU 89 -4.728 -6.560 14.564 754 HG LEU 89 HG LEU 89 -3.306 -5.349 16.949 755 HD11 LEU 89 1HD1 LEU 89 -4.397 -3.991 14.446 756 HD12 LEU 89 2HD1 LEU 89 -2.682 -4.167 14.876 757 HD13 LEU 89 3HD1 LEU 89 -3.743 -3.169 15.883 758 HD21 LEU 89 3HD2 LEU 89 -6.161 -5.071 15.910 759 HD22 LEU 89 1HD2 LEU 89 -5.473 -4.187 17.285 760 HD23 LEU 89 2HD2 LEU 89 -5.660 -5.947 17.376 761 H ILE 90 H ILE 90 -2.700 -9.164 14.126 762 HA ILE 90 HA ILE 90 -5.081 -10.236 12.827 763 HB ILE 90 HB ILE 90 -2.143 -10.991 12.400 764 HG12 ILE 90 1HG1 ILE 90 -3.883 -9.126 10.743 765 HG13 ILE 90 2HG1 ILE 90 -2.761 -8.551 11.972 766 HG21 ILE 90 1HG2 ILE 90 -4.598 -11.415 10.608 767 HG22 ILE 90 2HG2 ILE 90 -2.929 -11.856 10.204 768 HG23 ILE 90 3HG2 ILE 90 -3.757 -12.694 11.517 769 HD11 ILE 90 3HD1 ILE 90 -2.016 -10.086 9.445 770 HD12 ILE 90 1HD1 ILE 90 -1.699 -8.376 9.796 771 HD13 ILE 90 2HD1 ILE 90 -0.876 -9.641 10.738 772 H ASP 91 H ASP 91 -2.551 -11.523 15.003 773 HA ASP 91 HA ASP 91 -3.297 -14.276 14.811 774 HB2 ASP 91 1HB ASP 91 -1.197 -13.247 15.839 775 HB3 ASP 91 2HB ASP 91 -2.172 -12.871 17.266 776 H LYS 92 H LYS 92 -4.472 -11.574 16.782 777 HA LYS 92 HA LYS 92 -6.634 -13.352 17.852 778 HB2 LYS 92 1HB LYS 92 -5.526 -10.725 18.908 779 HB3 LYS 92 2HB LYS 92 -6.864 -11.611 19.615 780 HG2 LYS 92 1HG LYS 92 -4.032 -12.675 19.369 781 HG3 LYS 92 2HG LYS 92 -4.725 -11.961 20.827 782 HD2 LYS 92 1HD LYS 92 -5.830 -14.454 19.444 783 HD3 LYS 92 2HD LYS 92 -4.709 -14.490 20.803 784 HE2 LYS 92 1HE LYS 92 -7.502 -13.278 20.852 785 HE3 LYS 92 2HE LYS 92 -7.058 -14.866 21.492 786 HZ1 LYS 92 3HZ LYS 92 -7.127 -13.206 23.231 787 HZ2 LYS 92 1HZ LYS 92 -5.996 -12.279 22.464 788 HZ3 LYS 92 2HZ LYS 92 -5.584 -13.762 23.055 789 H LYS 93 H LYS 93 -6.770 -12.332 15.182 790 HA LYS 93 HA LYS 93 -8.267 -9.926 14.983 791 HB2 LYS 93 1HB LYS 93 -8.927 -10.656 12.792 792 HB3 LYS 93 2HB LYS 93 -7.249 -11.115 13.059 793 HG2 LYS 93 1HG LYS 93 -7.934 -13.461 13.471 794 HG3 LYS 93 2HG LYS 93 -9.632 -12.997 13.307 795 HD2 LYS 93 1HD LYS 93 -9.100 -13.953 11.229 796 HD3 LYS 93 2HD LYS 93 -9.089 -12.210 10.944 797 HE2 LYS 93 1HE LYS 93 -7.208 -13.195 9.795 798 HE3 LYS 93 2HE LYS 93 -6.586 -12.239 11.153 799 HZ1 LYS 93 3HZ LYS 93 -5.650 -14.583 10.784 800 HZ2 LYS 93 1HZ LYS 93 -7.056 -15.136 11.437 801 HZ3 LYS 93 2HZ LYS 93 -6.065 -14.163 12.333 802 H GLU 94 H GLU 94 -9.213 -13.063 16.073 803 HA GLU 94 HA GLU 94 -12.003 -13.059 15.702 804 HB2 GLU 94 1HB GLU 94 -10.646 -14.963 16.452 805 HB3 GLU 94 2HB GLU 94 -10.215 -14.103 17.929 806 HG2 GLU 94 1HG GLU 94 -12.605 -14.155 18.616 807 HG3 GLU 94 2HG GLU 94 -12.943 -15.158 17.195 808 H VAL 95 H VAL 95 -10.048 -11.642 18.331 809 HA VAL 95 HA VAL 95 -12.551 -10.628 19.583 810 HB VAL 95 HB VAL 95 -11.134 -10.243 21.603 811 HG11 VAL 95 1HG1 VAL 95 -12.387 -12.379 21.262 812 HG12 VAL 95 2HG1 VAL 95 -10.940 -13.099 20.523 813 HG13 VAL 95 3HG1 VAL 95 -10.917 -12.598 22.230 814 HG21 VAL 95 3HG2 VAL 95 -8.947 -11.724 20.065 815 HG22 VAL 95 1HG2 VAL 95 -8.945 -9.969 20.384 816 HG23 VAL 95 2HG2 VAL 95 -8.869 -11.114 21.734 817 H ASN 96 H ASN 96 -10.666 -9.603 17.264 818 HA ASN 96 HA ASN 96 -10.822 -6.741 18.164 819 HB2 ASN 96 1HB ASN 96 -8.696 -8.139 16.510 820 HB3 ASN 96 2HB ASN 96 -8.942 -6.386 16.459 821 HD21 ASN 96 2HD2 ASN 96 -7.588 -9.017 18.185 822 HD22 ASN 96 1HD2 ASN 96 -6.906 -8.060 19.486 823 HA PRO 97 HA PRO 97 -13.410 -7.908 14.538 824 HB2 PRO 97 1HB PRO 97 -15.595 -6.323 15.021 825 HB3 PRO 97 2HB PRO 97 -15.353 -7.925 15.792 826 HG2 PRO 97 1HG PRO 97 -14.683 -5.198 16.882 827 HG3 PRO 97 2HG PRO 97 -15.637 -6.513 17.644 828 HD2 PRO 97 1HD PRO 97 -13.042 -6.192 18.241 829 HD3 PRO 97 2HD PRO 97 -13.721 -7.842 18.004 830 H GLN 98 H GLN 98 -12.282 -4.804 15.705 831 HA GLN 98 HA GLN 98 -13.071 -3.253 13.393 832 HB2 GLN 98 1HB GLN 98 -10.714 -2.894 15.306 833 HB3 GLN 98 2HB GLN 98 -11.231 -1.719 14.101 834 HG2 GLN 98 1HG GLN 98 -12.084 -0.924 16.135 835 HG3 GLN 98 2HG GLN 98 -13.475 -1.630 15.302 836 HE21 GLN 98 2HE2 GLN 98 -14.471 -1.708 17.431 837 HE22 GLN 98 1HE2 GLN 98 -14.085 -3.027 18.510 838 H VAL 99 H VAL 99 -10.106 -5.026 14.373 839 HA VAL 99 HA VAL 99 -8.817 -4.356 11.888 840 HB VAL 99 HB VAL 99 -7.819 -5.047 14.259 841 HG11 VAL 99 1HG1 VAL 99 -8.737 -7.404 14.052 842 HG12 VAL 99 2HG1 VAL 99 -7.583 -7.672 12.730 843 HG13 VAL 99 3HG1 VAL 99 -6.997 -7.299 14.366 844 HG21 VAL 99 3HG2 VAL 99 -6.553 -4.091 12.449 845 HG22 VAL 99 1HG2 VAL 99 -5.678 -5.506 13.059 846 HG23 VAL 99 2HG2 VAL 99 -6.598 -5.620 11.550 847 H MET 100 H MET 100 -10.918 -6.966 12.959 848 HA MET 100 HA MET 100 -10.245 -8.832 10.899 849 HB2 MET 100 1HB MET 100 -11.975 -8.697 13.043 850 HB3 MET 100 2HB MET 100 -13.067 -8.707 11.678 851 HG2 MET 100 1HG MET 100 -11.009 -10.777 12.447 852 HG3 MET 100 2HG MET 100 -12.760 -10.972 12.412 853 HE1 MET 100 3HE MET 100 -13.558 -11.343 8.610 854 HE2 MET 100 1HE MET 100 -14.180 -11.442 10.275 855 HE3 MET 100 2HE MET 100 -13.726 -9.865 9.582 856 H ALA 101 H ALA 101 -12.477 -6.036 11.026 857 HA ALA 101 HA ALA 101 -13.591 -6.454 8.407 858 HB1 ALA 101 3HB ALA 101 -14.592 -4.954 10.123 859 HB2 ALA 101 1HB ALA 101 -13.198 -3.858 9.963 860 HB3 ALA 101 2HB ALA 101 -14.299 -4.106 8.586 861 H ALA 102 H ALA 102 -10.561 -5.100 9.571 862 HA ALA 102 HA ALA 102 -9.898 -3.787 7.064 863 HB1 ALA 102 3HB ALA 102 -7.800 -3.295 8.107 864 HB2 ALA 102 1HB ALA 102 -9.069 -3.066 9.337 865 HB3 ALA 102 2HB ALA 102 -8.060 -4.535 9.351 866 H VAL 103 H VAL 103 -9.437 -6.992 8.522 867 HA VAL 103 HA VAL 103 -7.256 -7.903 6.917 868 HB VAL 103 HB VAL 103 -9.691 -9.420 8.024 869 HG11 VAL 103 1HG1 VAL 103 -8.542 -11.508 7.644 870 HG12 VAL 103 2HG1 VAL 103 -8.676 -10.659 6.098 871 HG13 VAL 103 3HG1 VAL 103 -7.136 -10.667 6.980 872 HG21 VAL 103 3HG2 VAL 103 -8.227 -10.163 9.797 873 HG22 VAL 103 1HG2 VAL 103 -6.824 -9.383 9.027 874 HG23 VAL 103 2HG2 VAL 103 -8.135 -8.401 9.698 875 H ALA 104 H ALA 104 -10.789 -8.123 6.411 876 HA ALA 104 HA ALA 104 -10.546 -9.310 3.814 877 HB1 ALA 104 3HB ALA 104 -12.586 -9.501 5.188 878 HB2 ALA 104 1HB ALA 104 -12.864 -7.746 5.052 879 HB3 ALA 104 2HB ALA 104 -12.961 -8.781 3.605 880 H GLN 105 H GLN 105 -10.944 -5.920 4.886 881 HA GLN 105 HA GLN 105 -11.287 -4.842 2.265 882 HB2 GLN 105 1HB GLN 105 -10.337 -3.723 4.906 883 HB3 GLN 105 2HB GLN 105 -10.243 -2.757 3.421 884 HG2 GLN 105 1HG GLN 105 -12.665 -3.122 3.056 885 HG3 GLN 105 2HG GLN 105 -12.744 -3.949 4.618 886 HE21 GLN 105 2HE2 GLN 105 -13.093 -2.768 6.373 887 HE22 GLN 105 1HE2 GLN 105 -12.994 -1.020 6.440 888 H THR 106 H THR 106 -8.327 -5.572 4.156 889 HA THR 106 HA THR 106 -6.595 -4.189 2.324 890 HB THR 106 HB THR 106 -5.880 -6.554 4.091 891 HG1 THR 106 HG1 THR 106 -6.809 -4.996 5.377 892 HG21 THR 106 1HG2 THR 106 -4.164 -5.848 2.424 893 HG22 THR 106 2HG2 THR 106 -3.662 -5.569 4.096 894 HG23 THR 106 3HG2 THR 106 -4.227 -4.206 3.106 895 H GLU 107 H GLU 107 -7.682 -7.618 2.585 896 HA GLU 107 HA GLU 107 -6.150 -8.602 0.404 897 HB2 GLU 107 1HB GLU 107 -8.885 -9.433 1.441 898 HB3 GLU 107 2HB GLU 107 -7.953 -10.352 0.247 899 HG2 GLU 107 1HG GLU 107 -6.120 -10.600 1.850 900 HG3 GLU 107 2HG GLU 107 -7.025 -9.670 3.041 901 H GLU 108 H GLU 108 -9.418 -7.084 0.436 902 HA GLU 108 HA GLU 108 -9.884 -7.409 -2.365 903 HB2 GLU 108 1HB GLU 108 -10.898 -5.501 -0.255 904 HB3 GLU 108 2HB GLU 108 -11.369 -5.302 -1.945 905 HG2 GLU 108 1HG GLU 108 -11.757 -7.888 -0.408 906 HG3 GLU 108 2HG GLU 108 -12.980 -6.607 -0.493 907 H ILE 109 H ILE 109 -8.280 -4.772 -0.534 908 HA ILE 109 HA ILE 109 -7.977 -3.067 -2.853 909 HB ILE 109 HB ILE 109 -6.465 -3.153 -0.193 910 HG12 ILE 109 1HG1 ILE 109 -8.496 -1.105 -1.149 911 HG13 ILE 109 2HG1 ILE 109 -9.002 -2.587 -0.343 912 HG21 ILE 109 1HG2 ILE 109 -5.694 -0.820 -0.783 913 HG22 ILE 109 2HG2 ILE 109 -5.020 -2.044 -1.864 914 HG23 ILE 109 3HG2 ILE 109 -6.373 -1.034 -2.414 915 HD11 ILE 109 3HD1 ILE 109 -7.532 -1.939 1.622 916 HD12 ILE 109 1HD1 ILE 109 -7.309 -0.356 0.835 917 HD13 ILE 109 2HD1 ILE 109 -8.932 -0.887 1.334 918 H LEU 110 H LEU 110 -5.900 -5.543 -1.299 919 HA LEU 110 HA LEU 110 -3.640 -5.075 -3.007 920 HB2 LEU 110 1HB LEU 110 -4.565 -7.208 -1.140 921 HB3 LEU 110 2HB LEU 110 -3.358 -7.672 -2.330 922 HG LEU 110 HG LEU 110 -1.729 -6.230 -1.457 923 HD11 LEU 110 1HD1 LEU 110 -2.905 -4.137 -1.114 924 HD12 LEU 110 2HD1 LEU 110 -2.104 -4.598 0.395 925 HD13 LEU 110 3HD1 LEU 110 -3.852 -4.840 0.213 926 HD21 LEU 110 3HD2 LEU 110 -3.333 -7.369 0.862 927 HD22 LEU 110 1HD2 LEU 110 -1.632 -6.851 0.955 928 HD23 LEU 110 2HD2 LEU 110 -2.087 -8.207 -0.087 929 H LYS 111 H LYS 111 -6.507 -7.213 -3.351 930 HA LYS 111 HA LYS 111 -5.470 -8.284 -5.874 931 HB2 LYS 111 1HB LYS 111 -8.236 -8.458 -4.622 932 HB3 LYS 111 2HB LYS 111 -7.726 -9.303 -6.089 933 HG2 LYS 111 1HG LYS 111 -6.611 -9.731 -3.289 934 HG3 LYS 111 2HG LYS 111 -7.651 -10.834 -4.200 935 HD2 LYS 111 1HD LYS 111 -5.819 -10.992 -5.936 936 HD3 LYS 111 2HD LYS 111 -4.797 -10.016 -4.857 937 HE2 LYS 111 1HE LYS 111 -5.169 -11.739 -3.069 938 HE3 LYS 111 2HE LYS 111 -5.962 -12.758 -4.285 939 HZ1 LYS 111 3HZ LYS 111 -3.925 -12.838 -5.523 940 HZ2 LYS 111 1HZ LYS 111 -3.533 -13.192 -3.955 941 HZ3 LYS 111 2HZ LYS 111 -3.197 -11.704 -4.574 942 H SER 112 H SER 112 -7.260 -5.449 -4.993 943 HA SER 112 HA SER 112 -8.474 -5.011 -7.587 944 HB2 SER 112 1HB SER 112 -9.193 -3.818 -5.519 945 HB3 SER 112 2HB SER 112 -7.625 -2.987 -5.475 946 HG SER 112 HG SER 112 -8.234 -2.343 -7.736 947 H ASN 113 H ASN 113 -5.287 -4.642 -6.214 948 HA ASN 113 HA ASN 113 -4.306 -3.022 -8.487 949 HB2 ASN 113 1HB ASN 113 -3.131 -4.150 -5.946 950 HB3 ASN 113 2HB ASN 113 -2.061 -3.719 -7.286 951 HD21 ASN 113 2HD2 ASN 113 -3.328 -2.577 -4.496 952 HD22 ASN 113 1HD2 ASN 113 -3.230 -0.860 -4.826 953 H SER 114 H SER 114 -3.189 -3.857 -10.206 954 HA SER 114 HA SER 114 -2.438 -6.710 -10.217 955 HB2 SER 114 1HB SER 114 -4.807 -6.730 -10.954 956 HB3 SER 114 2HB SER 114 -4.434 -5.512 -12.191 957 HG SER 114 HG SER 114 -3.777 -7.061 -13.438 958 H GLN 115 H GLN 115 -1.146 -7.213 -12.136 959 HA GLN 115 HA GLN 115 0.411 -4.884 -13.085 960 HB2 GLN 115 1HB GLN 115 0.652 -7.880 -13.592 961 HB3 GLN 115 2HB GLN 115 1.736 -6.656 -14.274 962 HG2 GLN 115 1HG GLN 115 2.390 -5.975 -11.983 963 HG3 GLN 115 2HG GLN 115 1.342 -7.234 -11.314 964 HE21 GLN 115 2HE2 GLN 115 4.461 -6.499 -12.154 965 HE22 GLN 115 1HE2 GLN 115 5.084 -8.123 -12.327 966 H THR 116 H THR 116 -1.474 -3.927 -14.087 967 HA THR 116 HA THR 116 -2.961 -3.453 -15.595 968 HB THR 116 HB THR 116 -2.296 -3.447 -17.700 969 HG1 THR 116 HG1 THR 116 -1.085 -5.949 -17.192 970 HG21 THR 116 1HG2 THR 116 0.038 -2.969 -17.823 971 HG22 THR 116 2HG2 THR 116 0.380 -4.025 -16.442 972 HG23 THR 116 3HG2 THR 116 -0.517 -2.500 -16.202 973 H ASP 117 H ASP 117 -4.105 -4.642 -17.797 974 HA ASP 117 HA ASP 117 -5.120 -7.279 -17.017 975 HB2 ASP 117 1HB ASP 117 -6.482 -5.594 -15.655 976 HB3 ASP 117 2HB ASP 117 -7.029 -4.909 -17.195 977 H LEU 118 H LEU 118 -6.595 -8.067 -18.726 978 HA LEU 118 HA LEU 118 -6.023 -6.730 -21.356 979 HB2 LEU 118 1HB LEU 118 -6.644 -9.642 -20.773 980 HB3 LEU 118 2HB LEU 118 -6.309 -8.957 -22.357 981 HG LEU 118 HG LEU 118 -4.312 -9.123 -20.068 982 HD11 LEU 118 1HD1 LEU 118 -3.271 -10.908 -21.400 983 HD12 LEU 118 2HD1 LEU 118 -4.569 -10.782 -22.610 984 HD13 LEU 118 3HD1 LEU 118 -4.935 -11.334 -20.956 985 HD21 LEU 118 3HD2 LEU 118 -3.962 -8.301 -22.984 986 HD22 LEU 118 1HD2 LEU 118 -2.640 -8.573 -21.826 987 HD23 LEU 118 2HD2 LEU 118 -3.789 -7.252 -21.553 988 H GLU 119 H GLU 119 -7.770 -6.377 -22.718 989 HA GLU 119 HA GLU 119 -10.342 -6.328 -21.394 990 HB2 GLU 119 1HB GLU 119 -9.163 -5.090 -23.741 991 HB3 GLU 119 2HB GLU 119 -10.803 -5.654 -24.074 992 HG2 GLU 119 1HG GLU 119 -10.106 -3.969 -21.652 993 HG3 GLU 119 2HG GLU 119 -10.614 -3.283 -23.203 994 H HIS 120 H HIS 120 -10.296 -8.626 -21.018 995 HA HIS 120 HA HIS 120 -11.958 -10.012 -23.113 996 HB2 HIS 120 1HB HIS 120 -9.688 -11.125 -21.410 997 HB3 HIS 120 2HB HIS 120 -10.990 -12.163 -22.000 998 HD1 HIS 120 HD1 HIS 120 -10.121 -9.553 -24.487 999 HD2 HIS 120 HD2 HIS 120 -8.836 -13.432 -23.502 1000 HE1 HIS 120 HE1 HIS 120 -8.786 -10.434 -26.479 1001 H HIS 121 H HIS 121 -12.393 -8.149 -20.839 1002 HA HIS 121 HA HIS 121 -13.963 -9.962 -19.043 1003 HB2 HIS 121 1HB HIS 121 -12.407 -7.430 -18.368 1004 HB3 HIS 121 2HB HIS 121 -13.517 -8.251 -17.260 1005 HD1 HIS 121 HD1 HIS 121 -10.153 -7.846 -17.159 1006 HD2 HIS 121 HD2 HIS 121 -12.417 -11.353 -17.766 1007 HE1 HIS 121 HE1 HIS 121 -8.701 -9.806 -16.478 1008 H HIS 122 H HIS 122 -15.843 -8.754 -18.051 1009 HA HIS 122 HA HIS 122 -16.851 -6.626 -19.897 1010 HB2 HIS 122 1HB HIS 122 -18.364 -9.083 -18.907 1011 HB3 HIS 122 2HB HIS 122 -19.115 -7.700 -19.712 1012 HD1 HIS 122 HD1 HIS 122 -19.219 -10.647 -20.886 1013 HD2 HIS 122 HD2 HIS 122 -16.504 -7.663 -22.044 1014 HE1 HIS 122 HE1 HIS 122 -18.413 -11.243 -23.231 1015 H HIS 123 H HIS 123 -18.033 -5.042 -18.886 1016 HA HIS 123 HA HIS 123 -17.692 -4.730 -16.042 1017 HB2 HIS 123 1HB HIS 123 -19.576 -3.300 -17.969 1018 HB3 HIS 123 2HB HIS 123 -19.168 -2.753 -16.339 1019 HD1 HIS 123 HD1 HIS 123 -16.600 -1.935 -15.960 1020 HD2 HIS 123 HD2 HIS 123 -17.758 -2.559 -19.946 1021 HE1 HIS 123 HE1 HIS 123 -14.831 -0.838 -17.434 1022 H HIS 124 H HIS 124 -19.116 -5.192 -14.388 1023 HA HIS 124 HA HIS 124 -21.077 -7.271 -14.895 1024 HB2 HIS 124 1HB HIS 124 -20.233 -5.689 -12.436 1025 HB3 HIS 124 2HB HIS 124 -21.558 -6.846 -12.385 1026 HD1 HIS 124 HD1 HIS 124 -20.321 -8.386 -10.713 1027 HD2 HIS 124 HD2 HIS 124 -18.359 -7.899 -14.394 1028 HE1 HIS 124 HE1 HIS 124 -18.483 -10.153 -10.817 1029 H HIS 125 H HIS 125 -23.235 -7.099 -13.750 1030 HA HIS 125 HA HIS 125 -24.467 -4.398 -13.724 1031 HB2 HIS 125 1HB HIS 125 -25.688 -6.989 -14.813 1032 HB3 HIS 125 2HB HIS 125 -26.644 -5.606 -14.269 1033 HD1 HIS 125 HD1 HIS 125 -27.211 -6.311 -17.080 1034 HD2 HIS 125 HD2 HIS 125 -24.003 -3.818 -16.055 1035 HE1 HIS 125 HE1 HIS 125 -26.652 -4.934 -19.155 Start of MODEL 20 1 H21 MYR 1 1H2 MYR 1 0.653 -0.135 -0.900 2 H22 MYR 1 2H2 MYR 1 2.072 -0.273 0.128 3 H31 MYR 1 1H3 MYR 1 -0.487 -1.935 0.574 4 H32 MYR 1 2H3 MYR 1 0.817 -2.485 -0.472 5 H41 MYR 1 1H4 MYR 1 2.430 -2.416 1.443 6 H42 MYR 1 2H4 MYR 1 1.179 -1.832 2.516 7 H51 MYR 1 1H5 MYR 1 0.961 -4.523 1.054 8 H52 MYR 1 2H5 MYR 1 1.781 -4.373 2.592 9 H61 MYR 1 1H6 MYR 1 -1.166 -3.589 2.169 10 H62 MYR 1 2H6 MYR 1 -0.669 -5.176 2.706 11 H71 MYR 1 1H7 MYR 1 0.061 -2.626 4.258 12 H72 MYR 1 2H7 MYR 1 -1.444 -3.462 4.524 13 H81 MYR 1 1H8 MYR 1 1.256 -4.880 4.827 14 H82 MYR 1 2H8 MYR 1 0.538 -3.965 6.133 15 H91 MYR 1 1H9 MYR 1 0.034 -6.691 5.382 16 H92 MYR 1 2H9 MYR 1 -1.468 -5.866 5.032 17 H101 MYR 1 1H10 MYR 1 -0.021 -5.589 7.728 18 H102 MYR 1 2H10 MYR 1 -1.108 -6.924 7.418 19 H111 MYR 1 1H11 MYR 1 -1.904 -4.599 8.573 20 H112 MYR 1 2H11 MYR 1 -2.163 -4.111 6.907 21 H121 MYR 1 1H12 MYR 1 -3.648 -6.125 6.565 22 H122 MYR 1 2H12 MYR 1 -3.410 -6.601 8.241 23 H131 MYR 1 1H13 MYR 1 -4.564 -3.872 7.449 24 H132 MYR 1 2H13 MYR 1 -5.579 -5.284 7.621 25 H141 MYR 1 1H14 MYR 1 -3.887 -4.038 9.854 26 H142 MYR 1 2H14 MYR 1 -5.650 -3.973 9.692 27 H143 MYR 1 3H14 MYR 1 -4.852 -5.520 10.023 28 H GLY 2 H GLY 2 1.966 0.446 2.252 29 HA2 GLY 2 1HA GLY 2 -0.309 1.257 3.705 30 HA3 GLY 2 2HA GLY 2 1.352 1.742 4.038 31 H GLN 3 H GLN 3 1.727 3.127 1.440 32 HA GLN 3 HA GLN 3 0.804 5.696 2.304 33 HB2 GLN 3 1HB GLN 3 1.790 4.690 -0.385 34 HB3 GLN 3 2HB GLN 3 1.371 6.377 -0.096 35 HG2 GLN 3 1HG GLN 3 3.511 4.832 1.405 36 HG3 GLN 3 2HG GLN 3 3.809 5.936 0.063 37 HE21 GLN 3 2HE2 GLN 3 1.884 7.947 0.848 38 HE22 GLN 3 1HE2 GLN 3 2.537 8.719 2.271 39 H GLU 4 H GLU 4 -0.495 3.441 -0.201 40 HA GLU 4 HA GLU 4 -2.563 5.372 -0.856 41 HB2 GLU 4 1HB GLU 4 -3.344 3.841 -2.454 42 HB3 GLU 4 2HB GLU 4 -1.579 3.733 -2.470 43 HG2 GLU 4 1HG GLU 4 -1.699 1.660 -1.171 44 HG3 GLU 4 2HG GLU 4 -3.466 1.761 -1.144 45 H LEU 5 H LEU 5 -2.249 2.701 1.419 46 HA LEU 5 HA LEU 5 -5.056 2.333 1.876 47 HB2 LEU 5 1HB LEU 5 -2.640 1.918 3.655 48 HB3 LEU 5 2HB LEU 5 -4.273 1.518 4.150 49 HG LEU 5 HG LEU 5 -2.824 0.273 1.799 50 HD11 LEU 5 1HD1 LEU 5 -3.455 -0.833 4.556 51 HD12 LEU 5 2HD1 LEU 5 -1.847 -0.346 3.966 52 HD13 LEU 5 3HD1 LEU 5 -2.685 -1.718 3.220 53 HD21 LEU 5 3HD2 LEU 5 -5.209 0.220 1.392 54 HD22 LEU 5 1HD2 LEU 5 -5.512 -0.395 3.032 55 HD23 LEU 5 2HD2 LEU 5 -4.655 -1.400 1.842 56 H SER 6 H SER 6 -2.667 4.576 3.365 57 HA SER 6 HA SER 6 -4.540 5.782 5.172 58 HB2 SER 6 1HB SER 6 -2.014 6.009 5.219 59 HB3 SER 6 2HB SER 6 -2.148 7.107 3.835 60 HG SER 6 HG SER 6 -3.690 8.294 5.241 61 H GLN 7 H GLN 7 -4.325 6.003 1.735 62 HA GLN 7 HA GLN 7 -5.681 8.660 1.696 63 HB2 GLN 7 1HB GLN 7 -4.477 6.921 -0.477 64 HB3 GLN 7 2HB GLN 7 -5.278 8.472 -0.770 65 HG2 GLN 7 1HG GLN 7 -3.591 9.657 0.517 66 HG3 GLN 7 2HG GLN 7 -2.840 8.142 1.017 67 HE21 GLN 7 2HE2 GLN 7 -3.771 7.678 -2.139 68 HE22 GLN 7 1HE2 GLN 7 -2.276 8.126 -2.923 69 H HIS 8 H HIS 8 -6.349 5.284 1.532 70 HA HIS 8 HA HIS 8 -8.662 5.541 -0.247 71 HB2 HIS 8 1HB HIS 8 -7.082 3.533 0.003 72 HB3 HIS 8 2HB HIS 8 -7.917 3.173 1.500 73 HD1 HIS 8 HD1 HIS 8 -8.355 3.137 -2.245 74 HD2 HIS 8 HD2 HIS 8 -10.517 2.166 1.179 75 HE1 HIS 8 HE1 HIS 8 -10.386 1.834 -3.003 76 H GLU 9 H GLU 9 -10.083 6.997 0.801 77 HA GLU 9 HA GLU 9 -10.558 7.203 3.492 78 HB2 GLU 9 1HB GLU 9 -12.601 8.368 2.952 79 HB3 GLU 9 2HB GLU 9 -11.318 8.768 1.805 80 HG2 GLU 9 1HG GLU 9 -12.350 7.036 0.237 81 HG3 GLU 9 2HG GLU 9 -13.738 7.013 1.337 82 H ARG 10 H ARG 10 -12.239 4.790 1.447 83 HA ARG 10 HA ARG 10 -14.203 3.995 3.376 84 HB2 ARG 10 1HB ARG 10 -12.688 2.385 1.284 85 HB3 ARG 10 2HB ARG 10 -14.050 1.755 2.205 86 HG2 ARG 10 1HG ARG 10 -15.594 3.162 1.109 87 HG3 ARG 10 2HG ARG 10 -14.317 4.222 0.468 88 HD2 ARG 10 1HD ARG 10 -15.233 2.648 -1.260 89 HD3 ARG 10 2HD ARG 10 -13.490 2.474 -0.984 90 HE ARG 10 HE ARG 10 -15.127 0.665 0.620 91 HH11 ARG 10 1HH1 ARG 10 -13.399 1.013 -2.438 92 HH12 ARG 10 2HH1 ARG 10 -13.252 -0.711 -2.652 93 HH21 ARG 10 1HH2 ARG 10 -14.889 -1.522 0.277 94 HH22 ARG 10 2HH2 ARG 10 -14.078 -2.119 -1.142 95 H TYR 11 H TYR 11 -10.897 2.916 2.776 96 HA TYR 11 HA TYR 11 -10.861 0.844 4.771 97 HB2 TYR 11 1HB TYR 11 -9.400 0.977 2.751 98 HB3 TYR 11 2HB TYR 11 -8.617 2.402 3.434 99 HD1 TYR 11 HD1 TYR 11 -9.172 -1.220 3.943 100 HD2 TYR 11 HD2 TYR 11 -6.854 2.226 5.023 101 HE1 TYR 11 HE1 TYR 11 -7.545 -2.673 5.080 102 HE2 TYR 11 HE2 TYR 11 -5.208 0.746 6.171 103 HH TYR 11 HH TYR 11 -5.474 -2.793 6.065 104 H VAL 12 H VAL 12 -9.754 4.214 4.549 105 HA VAL 12 HA VAL 12 -8.422 4.395 7.021 106 HB VAL 12 HB VAL 12 -9.957 6.523 5.463 107 HG11 VAL 12 1HG1 VAL 12 -8.593 8.180 6.756 108 HG12 VAL 12 2HG1 VAL 12 -9.774 7.320 7.761 109 HG13 VAL 12 3HG1 VAL 12 -8.053 6.861 7.819 110 HG21 VAL 12 3HG2 VAL 12 -6.962 6.023 5.715 111 HG22 VAL 12 1HG2 VAL 12 -7.945 5.450 4.364 112 HG23 VAL 12 2HG2 VAL 12 -7.771 7.188 4.644 113 H GLU 13 H GLU 13 -11.981 4.691 6.376 114 HA GLU 13 HA GLU 13 -12.604 5.648 8.974 115 HB2 GLU 13 1HB GLU 13 -14.187 3.903 7.072 116 HB3 GLU 13 2HB GLU 13 -14.827 4.468 8.619 117 HG2 GLU 13 1HG GLU 13 -13.960 6.181 6.279 118 HG3 GLU 13 2HG GLU 13 -15.603 5.949 6.891 119 H GLN 14 H GLN 14 -12.160 2.228 7.933 120 HA GLN 14 HA GLN 14 -12.842 1.276 10.615 121 HB2 GLN 14 1HB GLN 14 -11.520 -0.068 8.235 122 HB3 GLN 14 2HB GLN 14 -11.826 -0.882 9.773 123 HG2 GLN 14 1HG GLN 14 -13.916 0.300 7.916 124 HG3 GLN 14 2HG GLN 14 -13.592 -1.418 8.202 125 HE21 GLN 14 2HE2 GLN 14 -13.521 -1.812 10.810 126 HE22 GLN 14 1HE2 GLN 14 -14.973 -1.236 11.600 127 H LEU 15 H LEU 15 -9.832 1.969 8.824 128 HA LEU 15 HA LEU 15 -8.094 0.948 10.871 129 HB2 LEU 15 1HB LEU 15 -7.895 2.046 8.308 130 HB3 LEU 15 2HB LEU 15 -7.030 3.170 9.320 131 HG LEU 15 HG LEU 15 -5.606 1.501 8.198 132 HD11 LEU 15 1HD1 LEU 15 -4.874 2.621 10.227 133 HD12 LEU 15 2HD1 LEU 15 -4.212 0.978 10.087 134 HD13 LEU 15 3HD1 LEU 15 -5.563 1.300 11.205 135 HD21 LEU 15 3HD2 LEU 15 -5.540 -0.795 8.882 136 HD22 LEU 15 1HD2 LEU 15 -7.204 -0.416 8.397 137 HD23 LEU 15 2HD2 LEU 15 -6.786 -0.534 10.123 138 H LYS 16 H LYS 16 -9.730 4.030 10.424 139 HA LYS 16 HA LYS 16 -8.383 5.597 12.406 140 HB2 LYS 16 1HB LYS 16 -10.010 6.403 10.688 141 HB3 LYS 16 2HB LYS 16 -11.302 5.591 11.565 142 HG2 LYS 16 1HG LYS 16 -10.703 7.098 13.545 143 HG3 LYS 16 2HG LYS 16 -9.733 8.032 12.388 144 HD2 LYS 16 1HD LYS 16 -12.716 7.399 12.117 145 HD3 LYS 16 2HD LYS 16 -12.051 8.948 12.663 146 HE2 LYS 16 1HE LYS 16 -10.945 9.242 10.444 147 HE3 LYS 16 2HE LYS 16 -11.636 7.698 9.906 148 HZ1 LYS 16 3HZ LYS 16 -13.842 8.619 10.237 149 HZ2 LYS 16 1HZ LYS 16 -12.994 9.490 9.142 150 HZ3 LYS 16 2HZ LYS 16 -13.206 10.090 10.673 151 H GLN 17 H GLN 17 -11.110 3.305 12.596 152 HA GLN 17 HA GLN 17 -11.541 3.746 15.432 153 HB2 GLN 17 1HB GLN 17 -12.240 1.382 13.653 154 HB3 GLN 17 2HB GLN 17 -12.849 1.641 15.286 155 HG2 GLN 17 1HG GLN 17 -14.151 3.508 14.613 156 HG3 GLN 17 2HG GLN 17 -13.332 3.613 13.050 157 HE21 GLN 17 2HE2 GLN 17 -14.705 3.084 11.499 158 HE22 GLN 17 1HE2 GLN 17 -15.758 1.685 11.513 159 H ALA 18 H ALA 18 -9.656 1.456 13.446 160 HA ALA 18 HA ALA 18 -8.949 -0.265 15.585 161 HB1 ALA 18 3HB ALA 18 -7.273 -1.153 14.061 162 HB2 ALA 18 1HB ALA 18 -8.823 -0.875 13.227 163 HB3 ALA 18 2HB ALA 18 -7.467 0.261 12.996 164 H LEU 19 H LEU 19 -7.136 2.604 14.275 165 HA LEU 19 HA LEU 19 -4.887 2.249 16.043 166 HB2 LEU 19 1HB LEU 19 -6.027 4.569 14.510 167 HB3 LEU 19 2HB LEU 19 -4.986 4.936 15.878 168 HG LEU 19 HG LEU 19 -3.300 3.278 14.722 169 HD11 LEU 19 1HD1 LEU 19 -3.443 3.552 12.223 170 HD12 LEU 19 2HD1 LEU 19 -5.106 4.133 12.437 171 HD13 LEU 19 3HD1 LEU 19 -4.670 2.487 12.943 172 HD21 LEU 19 3HD2 LEU 19 -2.765 5.613 15.081 173 HD22 LEU 19 1HD2 LEU 19 -3.838 6.111 13.757 174 HD23 LEU 19 2HD2 LEU 19 -2.354 5.198 13.398 175 H LYS 20 H LYS 20 -8.029 3.912 16.416 176 HA LYS 20 HA LYS 20 -7.403 5.051 18.975 177 HB2 LYS 20 1HB LYS 20 -10.018 4.411 17.579 178 HB3 LYS 20 2HB LYS 20 -9.959 5.137 19.188 179 HG2 LYS 20 1HG LYS 20 -8.722 7.059 18.307 180 HG3 LYS 20 2HG LYS 20 -8.746 6.344 16.683 181 HD2 LYS 20 1HD LYS 20 -11.221 6.375 16.710 182 HD3 LYS 20 2HD LYS 20 -11.188 7.091 18.335 183 HE2 LYS 20 1HE LYS 20 -9.922 9.037 17.411 184 HE3 LYS 20 2HE LYS 20 -10.085 8.334 15.785 185 HZ1 LYS 20 3HZ LYS 20 -12.500 8.471 16.052 186 HZ2 LYS 20 1HZ LYS 20 -11.820 9.966 16.222 187 HZ3 LYS 20 2HZ LYS 20 -12.335 9.138 17.551 188 H THR 21 H THR 21 -9.053 1.955 18.115 189 HA THR 21 HA THR 21 -9.615 1.440 20.907 190 HB THR 21 HB THR 21 -10.911 0.477 18.913 191 HG1 THR 21 HG1 THR 21 -9.990 -1.154 21.055 192 HG21 THR 21 1HG2 THR 21 -8.928 -0.465 17.703 193 HG22 THR 21 2HG2 THR 21 -10.206 -1.653 18.021 194 HG23 THR 21 3HG2 THR 21 -8.737 -1.648 19.016 195 H ARG 22 H ARG 22 -6.800 0.959 18.909 196 HA ARG 22 HA ARG 22 -5.593 -0.978 20.752 197 HB2 ARG 22 1HB ARG 22 -5.041 -0.699 18.266 198 HB3 ARG 22 2HB ARG 22 -4.195 0.774 18.723 199 HG2 ARG 22 1HG ARG 22 -2.401 -0.621 18.813 200 HG3 ARG 22 2HG ARG 22 -2.996 -0.964 20.441 201 HD2 ARG 22 1HD ARG 22 -3.644 -2.568 17.940 202 HD3 ARG 22 2HD ARG 22 -2.444 -3.025 19.154 203 HE ARG 22 HE ARG 22 -5.400 -3.046 19.462 204 HH11 ARG 22 1HH1 ARG 22 -2.246 -3.851 20.875 205 HH12 ARG 22 2HH1 ARG 22 -2.977 -4.774 22.156 206 HH21 ARG 22 1HH2 ARG 22 -6.230 -4.261 21.114 207 HH22 ARG 22 2HH2 ARG 22 -5.172 -5.010 22.280 208 H GLY 23 H GLY 23 -5.942 2.482 20.476 209 HA2 GLY 23 1HA GLY 23 -5.433 4.126 22.014 210 HA3 GLY 23 2HA GLY 23 -4.832 2.875 23.121 211 H VAL 24 H VAL 24 -3.492 2.657 20.029 212 HA VAL 24 HA VAL 24 -0.862 3.141 21.064 213 HB VAL 24 HB VAL 24 -1.258 1.423 19.368 214 HG11 VAL 24 1HG1 VAL 24 -1.819 1.920 17.041 215 HG12 VAL 24 2HG1 VAL 24 -3.101 2.504 18.111 216 HG13 VAL 24 3HG1 VAL 24 -1.946 3.655 17.409 217 HG21 VAL 24 3HG2 VAL 24 0.967 2.448 19.471 218 HG22 VAL 24 1HG2 VAL 24 0.564 1.927 17.823 219 HG23 VAL 24 2HG2 VAL 24 0.469 3.645 18.250 220 H LYS 25 H LYS 25 0.396 4.911 21.025 221 HA LYS 25 HA LYS 25 -0.878 7.385 19.972 222 HB2 LYS 25 1HB LYS 25 1.570 7.039 21.754 223 HB3 LYS 25 2HB LYS 25 0.717 8.553 21.405 224 HG2 LYS 25 1HG LYS 25 -1.320 7.575 22.514 225 HG3 LYS 25 2HG LYS 25 -0.349 6.152 22.940 226 HD2 LYS 25 1HD LYS 25 1.264 7.760 24.095 227 HD3 LYS 25 2HD LYS 25 0.007 9.000 23.905 228 HE2 LYS 25 1HE LYS 25 -0.225 6.343 25.386 229 HE3 LYS 25 2HE LYS 25 -0.177 7.959 26.116 230 HZ1 LYS 25 3HZ LYS 25 -2.294 8.428 24.997 231 HZ2 LYS 25 1HZ LYS 25 -2.431 7.123 25.998 232 HZ3 LYS 25 2HZ LYS 25 -2.331 6.902 24.366 233 H VAL 26 H VAL 26 -0.463 6.900 17.777 234 HA VAL 26 HA VAL 26 2.293 7.597 16.896 235 HB VAL 26 HB VAL 26 0.729 5.072 16.110 236 HG11 VAL 26 1HG1 VAL 26 2.459 4.703 14.364 237 HG12 VAL 26 2HG1 VAL 26 1.418 6.082 14.028 238 HG13 VAL 26 3HG1 VAL 26 3.068 6.345 14.642 239 HG21 VAL 26 3HG2 VAL 26 2.863 3.917 16.595 240 HG22 VAL 26 1HG2 VAL 26 3.638 5.472 16.970 241 HG23 VAL 26 2HG2 VAL 26 2.339 4.853 18.008 242 H LYS 27 H LYS 27 2.218 8.802 14.983 243 HA LYS 27 HA LYS 27 -0.270 10.148 14.374 244 HB2 LYS 27 1HB LYS 27 2.054 11.085 14.119 245 HB3 LYS 27 2HB LYS 27 2.310 9.984 12.769 246 HG2 LYS 27 1HG LYS 27 0.368 11.094 11.591 247 HG3 LYS 27 2HG LYS 27 0.352 12.299 12.893 248 HD2 LYS 27 1HD LYS 27 2.744 11.676 11.098 249 HD3 LYS 27 2HD LYS 27 1.628 13.034 10.862 250 HE2 LYS 27 1HE LYS 27 2.267 13.925 13.111 251 HE3 LYS 27 2HE LYS 27 3.431 12.595 13.287 252 HZ1 LYS 27 3HZ LYS 27 3.517 14.661 11.161 253 HZ2 LYS 27 1HZ LYS 27 4.594 13.423 11.335 254 HZ3 LYS 27 2HZ LYS 27 4.502 14.602 12.483 255 H PHE 28 H PHE 28 -1.722 9.742 12.657 256 HA PHE 28 HA PHE 28 -2.069 7.094 11.826 257 HB2 PHE 28 1HB PHE 28 -3.604 9.220 11.759 258 HB3 PHE 28 2HB PHE 28 -2.981 9.421 10.119 259 HD1 PHE 28 HD2 PHE 28 -4.941 7.294 12.396 260 HD2 PHE 28 HD1 PHE 28 -3.662 7.880 8.331 261 HE1 PHE 28 HE2 PHE 28 -6.582 5.612 11.641 262 HE2 PHE 28 HE1 PHE 28 -5.341 6.205 7.571 263 HZ PHE 28 HZ PHE 28 -6.794 5.076 9.254 264 H ALA 29 H ALA 29 -0.601 9.721 9.841 265 HA ALA 29 HA ALA 29 -0.115 8.049 7.592 266 HB1 ALA 29 3HB ALA 29 1.454 9.824 6.892 267 HB2 ALA 29 1HB ALA 29 -0.075 10.515 7.481 268 HB3 ALA 29 2HB ALA 29 1.378 10.546 8.516 269 H ASP 30 H ASP 30 1.704 8.555 10.584 270 HA ASP 30 HA ASP 30 4.156 7.335 9.653 271 HB2 ASP 30 1HB ASP 30 3.921 8.935 11.597 272 HB3 ASP 30 2HB ASP 30 3.118 7.643 12.495 273 H LEU 31 H LEU 31 1.211 6.204 11.360 274 HA LEU 31 HA LEU 31 2.182 3.591 11.910 275 HB2 LEU 31 1HB LEU 31 0.121 4.568 12.889 276 HB3 LEU 31 2HB LEU 31 -0.667 4.471 11.328 277 HG LEU 31 HG LEU 31 -1.183 2.725 13.178 278 HD11 LEU 31 1HD1 LEU 31 -1.739 1.032 11.544 279 HD12 LEU 31 2HD1 LEU 31 -0.597 1.721 10.372 280 HD13 LEU 31 3HD1 LEU 31 -2.041 2.633 10.853 281 HD21 LEU 31 3HD2 LEU 31 1.167 2.074 13.613 282 HD22 LEU 31 1HD2 LEU 31 1.264 1.396 11.967 283 HD23 LEU 31 2HD2 LEU 31 0.137 0.705 13.154 284 H LEU 32 H LEU 32 0.196 4.841 9.221 285 HA LEU 32 HA LEU 32 0.325 2.374 7.752 286 HB2 LEU 32 1HB LEU 32 -0.343 5.211 6.998 287 HB3 LEU 32 2HB LEU 32 -0.149 3.986 5.763 288 HG LEU 32 HG LEU 32 -2.454 4.166 6.134 289 HD11 LEU 32 1HD1 LEU 32 -3.172 1.993 6.813 290 HD12 LEU 32 2HD1 LEU 32 -1.702 1.731 7.777 291 HD13 LEU 32 3HD1 LEU 32 -1.604 1.811 6.002 292 HD21 LEU 32 3HD2 LEU 32 -2.376 5.356 8.216 293 HD22 LEU 32 1HD2 LEU 32 -1.893 3.882 9.084 294 HD23 LEU 32 2HD2 LEU 32 -3.503 3.991 8.319 295 H LYS 33 H LYS 33 2.698 4.924 8.078 296 HA LYS 33 HA LYS 33 4.035 4.284 5.610 297 HB2 LYS 33 1HB LYS 33 4.569 6.344 6.854 298 HB3 LYS 33 2HB LYS 33 5.256 5.381 8.169 299 HG2 LYS 33 1HG LYS 33 7.053 6.259 6.754 300 HG3 LYS 33 2HG LYS 33 6.982 4.497 6.643 301 HD2 LYS 33 1HD LYS 33 5.544 4.849 4.502 302 HD3 LYS 33 2HD LYS 33 6.032 6.541 4.574 303 HE2 LYS 33 1HE LYS 33 8.364 5.896 4.304 304 HE3 LYS 33 2HE LYS 33 7.939 4.174 4.465 305 HZ1 LYS 33 3HZ LYS 33 6.930 5.934 2.295 306 HZ2 LYS 33 1HZ LYS 33 6.653 4.314 2.432 307 HZ3 LYS 33 2HZ LYS 33 8.176 4.865 2.124 308 H PHE 34 H PHE 34 4.068 2.773 8.816 309 HA PHE 34 HA PHE 34 6.262 1.007 8.036 310 HB2 PHE 34 1HB PHE 34 4.440 1.192 10.398 311 HB3 PHE 34 2HB PHE 34 5.431 -0.247 10.137 312 HD1 PHE 34 HD1 PHE 34 5.620 3.466 10.511 313 HD2 PHE 34 HD2 PHE 34 7.763 -0.256 10.606 314 HE1 PHE 34 HE1 PHE 34 7.603 4.656 11.407 315 HE2 PHE 34 HE2 PHE 34 9.772 0.922 11.491 316 HZ PHE 34 HZ PHE 34 9.694 3.387 11.898 317 H PHE 35 H PHE 35 2.782 0.997 7.646 318 HA PHE 35 HA PHE 35 2.586 -1.820 6.887 319 HB2 PHE 35 1HB PHE 35 0.911 0.643 6.256 320 HB3 PHE 35 2HB PHE 35 0.590 -0.911 5.516 321 HD1 PHE 35 HD2 PHE 35 1.600 -0.356 9.126 322 HD2 PHE 35 HD1 PHE 35 -1.540 -1.370 6.354 323 HE1 PHE 35 HE2 PHE 35 0.140 -0.999 11.015 324 HE2 PHE 35 HE1 PHE 35 -3.014 -1.990 8.255 325 HZ PHE 35 HZ PHE 35 -2.170 -1.824 10.591 326 H ASP 36 H ASP 36 3.603 1.212 5.391 327 HA ASP 36 HA ASP 36 3.603 0.236 2.670 328 HB2 ASP 36 1HB ASP 36 3.564 2.663 3.621 329 HB3 ASP 36 2HB ASP 36 5.319 2.483 3.731 330 H PHE 37 H PHE 37 5.955 0.340 5.294 331 HA PHE 37 HA PHE 37 8.288 -0.298 3.782 332 HB2 PHE 37 1HB PHE 37 8.248 0.592 6.094 333 HB3 PHE 37 2HB PHE 37 7.592 -0.943 6.670 334 HD1 PHE 37 HD1 PHE 37 10.468 0.097 4.443 335 HD2 PHE 37 HD2 PHE 37 9.109 -2.260 7.770 336 HE1 PHE 37 HE1 PHE 37 12.781 -0.777 4.751 337 HE2 PHE 37 HE2 PHE 37 11.430 -3.130 8.108 338 HZ PHE 37 HZ PHE 37 13.269 -2.387 6.595 339 H VAL 38 H VAL 38 5.625 -2.274 4.891 340 HA VAL 38 HA VAL 38 6.788 -4.870 4.704 341 HB VAL 38 HB VAL 38 3.992 -3.997 3.791 342 HG11 VAL 38 1HG1 VAL 38 5.092 -6.760 4.470 343 HG12 VAL 38 2HG1 VAL 38 3.359 -6.397 4.312 344 HG13 VAL 38 3HG1 VAL 38 4.434 -6.217 2.915 345 HG21 VAL 38 3HG2 VAL 38 4.980 -4.968 6.439 346 HG22 VAL 38 1HG2 VAL 38 4.349 -3.360 6.030 347 HG23 VAL 38 2HG2 VAL 38 3.274 -4.759 5.978 348 H LYS 39 H LYS 39 5.416 -2.662 2.242 349 HA LYS 39 HA LYS 39 5.364 -4.690 0.294 350 HB2 LYS 39 1HB LYS 39 4.425 -2.112 0.416 351 HB3 LYS 39 2HB LYS 39 5.771 -1.901 -0.699 352 HG2 LYS 39 1HG LYS 39 3.417 -3.808 -1.076 353 HG3 LYS 39 2HG LYS 39 3.634 -2.257 -1.890 354 HD2 LYS 39 1HD LYS 39 5.758 -3.175 -2.931 355 HD3 LYS 39 2HD LYS 39 5.348 -4.754 -2.237 356 HE2 LYS 39 1HE LYS 39 3.173 -4.702 -3.496 357 HE3 LYS 39 2HE LYS 39 3.680 -3.182 -4.253 358 HZ1 LYS 39 3HZ LYS 39 4.159 -5.049 -5.707 359 HZ2 LYS 39 1HZ LYS 39 5.046 -5.810 -4.543 360 HZ3 LYS 39 2HZ LYS 39 5.588 -4.399 -5.202 361 H ASP 40 H ASP 40 7.804 -2.336 1.266 362 HA ASP 40 HA ASP 40 9.596 -2.705 -0.949 363 HB2 ASP 40 1HB ASP 40 9.695 -0.741 0.510 364 HB3 ASP 40 2HB ASP 40 10.071 -1.763 1.903 365 H THR 41 H THR 41 9.792 -3.963 2.442 366 HA THR 41 HA THR 41 12.101 -5.559 1.718 367 HB THR 41 HB THR 41 10.498 -6.076 4.212 368 HG1 THR 41 HG1 THR 41 11.866 -3.696 3.490 369 HG21 THR 41 1HG2 THR 41 12.772 -6.125 5.185 370 HG22 THR 41 2HG2 THR 41 13.452 -5.729 3.597 371 HG23 THR 41 3HG2 THR 41 12.607 -7.276 3.843 372 H CYS 42 H CYS 42 8.655 -6.177 1.923 373 HA CYS 42 HA CYS 42 9.177 -9.034 1.199 374 HB2 CYS 42 1HB CYS 42 8.451 -8.523 3.627 375 HB3 CYS 42 2HB CYS 42 6.876 -8.115 2.945 376 HG CYS 42 HG CYS 42 7.069 -10.521 4.158 377 HA PRO 43 HA PRO 43 6.341 -6.720 -1.698 378 HB2 PRO 43 1HB PRO 43 7.489 -7.403 -4.087 379 HB3 PRO 43 2HB PRO 43 8.102 -6.060 -3.070 380 HG2 PRO 43 1HG PRO 43 9.060 -8.910 -3.190 381 HG3 PRO 43 2HG PRO 43 10.007 -7.396 -3.355 382 HD2 PRO 43 1HD PRO 43 9.879 -8.680 -1.003 383 HD3 PRO 43 2HD PRO 43 9.801 -6.884 -1.069 384 H TRP 44 H TRP 44 7.320 -10.015 -1.421 385 HA TRP 44 HA TRP 44 5.294 -11.032 -3.259 386 HB2 TRP 44 1HB TRP 44 6.139 -13.212 -1.947 387 HB3 TRP 44 2HB TRP 44 7.002 -12.500 -3.321 388 HD1 TRP 44 HD1 TRP 44 7.006 -12.137 0.515 389 HE1 TRP 44 HE1 TRP 44 9.379 -11.683 1.361 390 HE3 TRP 44 HE3 TRP 44 9.299 -11.945 -4.026 391 HZ2 TRP 44 HZ2 TRP 44 11.944 -11.241 0.189 392 HZ3 TRP 44 HZ3 TRP 44 11.761 -11.496 -4.116 393 HH2 TRP 44 HH2 TRP 44 13.062 -11.135 -2.011 394 H PHE 45 H PHE 45 5.241 -9.890 -0.031 395 HA PHE 45 HA PHE 45 3.224 -11.753 0.927 396 HB2 PHE 45 1HB PHE 45 4.551 -10.478 2.517 397 HB3 PHE 45 2HB PHE 45 3.945 -8.957 1.866 398 HD1 PHE 45 HD1 PHE 45 3.071 -11.957 3.857 399 HD2 PHE 45 HD2 PHE 45 1.723 -8.137 2.402 400 HE1 PHE 45 HE1 PHE 45 1.138 -12.035 5.424 401 HE2 PHE 45 HE2 PHE 45 -0.214 -8.228 3.951 402 HZ PHE 45 HZ PHE 45 -0.501 -10.173 5.480 403 HA PRO 46 HA PRO 46 0.033 -8.592 -0.319 404 HB2 PRO 46 1HB PRO 46 0.508 -6.640 -2.165 405 HB3 PRO 46 2HB PRO 46 0.797 -6.393 -0.413 406 HG2 PRO 46 1HG PRO 46 2.742 -7.196 -2.543 407 HG3 PRO 46 2HG PRO 46 2.846 -5.853 -1.365 408 HD2 PRO 46 1HD PRO 46 4.066 -8.167 -0.878 409 HD3 PRO 46 2HD PRO 46 3.217 -7.297 0.439 410 H GLN 47 H GLN 47 2.388 -9.863 -2.548 411 HA GLN 47 HA GLN 47 0.830 -9.992 -4.926 412 HB2 GLN 47 1HB GLN 47 3.310 -10.471 -4.624 413 HB3 GLN 47 2HB GLN 47 2.851 -12.021 -3.916 414 HG2 GLN 47 1HG GLN 47 1.668 -12.568 -6.069 415 HG3 GLN 47 2HG GLN 47 2.369 -11.089 -6.751 416 HE21 GLN 47 2HE2 GLN 47 4.597 -10.985 -7.139 417 HE22 GLN 47 1HE2 GLN 47 5.590 -12.431 -7.130 418 H GLU 48 H GLU 48 0.986 -12.110 -2.043 419 HA GLU 48 HA GLU 48 -0.773 -14.127 -3.202 420 HB2 GLU 48 1HB GLU 48 -0.007 -13.538 -0.317 421 HB3 GLU 48 2HB GLU 48 -0.917 -14.954 -0.861 422 HG2 GLU 48 1HG GLU 48 1.041 -15.563 -2.314 423 HG3 GLU 48 2HG GLU 48 1.952 -14.258 -1.531 424 H GLY 49 H GLY 49 -1.163 -11.096 -1.537 425 HA2 GLY 49 1HA GLY 49 -3.024 -9.920 -0.916 426 HA3 GLY 49 2HA GLY 49 -3.877 -10.856 -2.131 427 H THR 50 H THR 50 -2.396 -12.413 0.641 428 HA THR 50 HA THR 50 -5.110 -12.792 1.837 429 HB THR 50 HB THR 50 -2.962 -14.933 1.574 430 HG1 THR 50 HG1 THR 50 -4.052 -14.327 -0.428 431 HG21 THR 50 1HG2 THR 50 -5.842 -14.962 2.574 432 HG22 THR 50 2HG2 THR 50 -4.373 -15.302 3.526 433 HG23 THR 50 3HG2 THR 50 -4.887 -16.423 2.240 434 H ILE 51 H ILE 51 -5.173 -12.391 3.962 435 HA ILE 51 HA ILE 51 -2.531 -11.880 5.280 436 HB ILE 51 HB ILE 51 -5.090 -10.242 5.418 437 HG12 ILE 51 1HG1 ILE 51 -2.320 -9.639 4.299 438 HG13 ILE 51 2HG1 ILE 51 -3.730 -10.038 3.327 439 HG21 ILE 51 1HG2 ILE 51 -3.830 -10.285 7.622 440 HG22 ILE 51 2HG2 ILE 51 -2.411 -9.628 6.769 441 HG23 ILE 51 3HG2 ILE 51 -3.925 -8.686 6.867 442 HD11 ILE 51 3HD1 ILE 51 -4.845 -8.035 4.307 443 HD12 ILE 51 1HD1 ILE 51 -3.247 -7.581 4.951 444 HD13 ILE 51 2HD1 ILE 51 -3.485 -7.746 3.205 445 H ASP 52 H ASP 52 -2.382 -13.752 6.223 446 HA ASP 52 HA ASP 52 -4.184 -14.224 8.565 447 HB2 ASP 52 1HB ASP 52 -4.489 -16.090 6.992 448 HB3 ASP 52 2HB ASP 52 -2.731 -16.244 6.827 449 H ILE 53 H ILE 53 -2.915 -15.112 10.375 450 HA ILE 53 HA ILE 53 -0.575 -13.552 10.694 451 HB ILE 53 HB ILE 53 -2.194 -14.405 12.445 452 HG12 ILE 53 1HG1 ILE 53 -0.368 -14.654 14.199 453 HG13 ILE 53 2HG1 ILE 53 0.798 -14.637 12.878 454 HG21 ILE 53 1HG2 ILE 53 -2.091 -16.831 11.840 455 HG22 ILE 53 2HG2 ILE 53 -0.404 -16.874 12.433 456 HG23 ILE 53 3HG2 ILE 53 -1.742 -16.528 13.556 457 HD11 ILE 53 3HD1 ILE 53 0.593 -12.462 13.990 458 HD12 ILE 53 1HD1 ILE 53 0.138 -12.366 12.277 459 HD13 ILE 53 2HD1 ILE 53 -1.118 -12.396 13.535 460 H LYS 54 H LYS 54 -0.982 -16.893 9.551 461 HA LYS 54 HA LYS 54 1.778 -17.640 9.979 462 HB2 LYS 54 1HB LYS 54 -0.239 -18.621 7.922 463 HB3 LYS 54 2HB LYS 54 1.293 -19.418 8.299 464 HG2 LYS 54 1HG LYS 54 0.545 -19.959 10.538 465 HG3 LYS 54 2HG LYS 54 -0.898 -18.946 10.349 466 HD2 LYS 54 1HD LYS 54 -1.622 -20.415 8.454 467 HD3 LYS 54 2HD LYS 54 -0.282 -21.513 8.853 468 HE2 LYS 54 1HE LYS 54 -1.206 -21.833 11.113 469 HE3 LYS 54 2HE LYS 54 -2.490 -20.652 10.770 470 HZ1 LYS 54 3HZ LYS 54 -3.275 -22.917 10.489 471 HZ2 LYS 54 1HZ LYS 54 -2.125 -23.226 9.346 472 HZ3 LYS 54 2HZ LYS 54 -3.315 -22.122 9.045 473 H ARG 55 H ARG 55 0.088 -15.891 7.383 474 HA ARG 55 HA ARG 55 2.476 -15.946 5.657 475 HB2 ARG 55 1HB ARG 55 -0.113 -14.360 5.477 476 HB3 ARG 55 2HB ARG 55 1.149 -14.405 4.234 477 HG2 ARG 55 1HG ARG 55 0.769 -16.790 3.860 478 HG3 ARG 55 2HG ARG 55 -0.383 -16.852 5.211 479 HD2 ARG 55 1HD ARG 55 -1.751 -15.130 4.002 480 HD3 ARG 55 2HD ARG 55 -0.701 -15.356 2.600 481 HE ARG 55 HE ARG 55 -2.643 -17.294 3.736 482 HH11 ARG 55 1HH1 ARG 55 -0.323 -16.589 1.152 483 HH12 ARG 55 2HH1 ARG 55 -0.984 -17.841 0.126 484 HH21 ARG 55 1HH2 ARG 55 -3.387 -18.871 2.369 485 HH22 ARG 55 2HH2 ARG 55 -2.661 -19.103 0.804 486 H TRP 56 H TRP 56 0.924 -13.834 8.033 487 HA TRP 56 HA TRP 56 2.516 -11.514 7.557 488 HB2 TRP 56 1HB TRP 56 0.417 -11.623 8.908 489 HB3 TRP 56 2HB TRP 56 1.317 -12.462 10.179 490 HD1 TRP 56 HD1 TRP 56 2.055 -10.857 12.045 491 HE1 TRP 56 HE1 TRP 56 2.734 -8.415 12.298 492 HE3 TRP 56 HE3 TRP 56 1.583 -9.489 7.138 493 HZ2 TRP 56 HZ2 TRP 56 3.090 -6.173 10.584 494 HZ3 TRP 56 HZ3 TRP 56 2.133 -7.136 6.495 495 HH2 TRP 56 HH2 TRP 56 2.878 -5.498 8.221 496 H ARG 57 H ARG 57 3.227 -14.518 9.278 497 HA ARG 57 HA ARG 57 5.418 -13.676 10.866 498 HB2 ARG 57 1HB ARG 57 5.456 -16.246 9.259 499 HB3 ARG 57 2HB ARG 57 6.316 -15.893 10.751 500 HG2 ARG 57 1HG ARG 57 3.372 -16.434 10.393 501 HG3 ARG 57 2HG ARG 57 4.550 -17.422 11.234 502 HD2 ARG 57 1HD ARG 57 4.797 -15.450 12.844 503 HD3 ARG 57 2HD ARG 57 3.327 -14.789 12.100 504 HE ARG 57 HE ARG 57 2.883 -17.500 12.860 505 HH11 ARG 57 1HH1 ARG 57 3.234 -14.328 14.359 506 HH12 ARG 57 2HH1 ARG 57 2.195 -14.746 15.700 507 HH21 ARG 57 1HH2 ARG 57 1.575 -17.956 14.619 508 HH22 ARG 57 2HH2 ARG 57 1.268 -16.743 15.834 509 H ARG 58 H ARG 58 5.315 -14.575 7.434 510 HA ARG 58 HA ARG 58 8.036 -14.518 6.815 511 HB2 ARG 58 1HB ARG 58 5.807 -13.412 5.074 512 HB3 ARG 58 2HB ARG 58 7.391 -13.953 4.528 513 HG2 ARG 58 1HG ARG 58 6.814 -16.270 5.176 514 HG3 ARG 58 2HG ARG 58 5.196 -15.697 5.673 515 HD2 ARG 58 1HD ARG 58 4.991 -14.647 3.380 516 HD3 ARG 58 2HD ARG 58 6.457 -15.525 2.918 517 HE ARG 58 HE ARG 58 4.631 -17.410 3.945 518 HH11 ARG 58 1HH1 ARG 58 4.846 -15.218 1.184 519 HH12 ARG 58 2HH1 ARG 58 3.787 -16.212 0.205 520 HH21 ARG 58 1HH2 ARG 58 3.297 -18.626 2.583 521 HH22 ARG 58 2HH2 ARG 58 2.934 -18.040 0.969 522 H VAL 59 H VAL 59 5.878 -11.744 7.255 523 HA VAL 59 HA VAL 59 7.605 -9.887 5.885 524 HB VAL 59 HB VAL 59 5.503 -9.357 8.029 525 HG11 VAL 59 1HG1 VAL 59 6.754 -7.571 5.913 526 HG12 VAL 59 2HG1 VAL 59 5.360 -7.134 6.937 527 HG13 VAL 59 3HG1 VAL 59 6.941 -7.438 7.675 528 HG21 VAL 59 3HG2 VAL 59 4.483 -10.597 6.248 529 HG22 VAL 59 1HG2 VAL 59 4.034 -8.899 6.040 530 HG23 VAL 59 2HG2 VAL 59 5.296 -9.605 5.012 531 H GLY 60 H GLY 60 7.218 -10.963 9.252 532 HA2 GLY 60 1HA GLY 60 9.165 -9.059 10.248 533 HA3 GLY 60 2HA GLY 60 8.470 -10.449 11.116 534 H ASP 61 H ASP 61 9.151 -12.437 9.152 535 HA ASP 61 HA ASP 61 11.832 -13.086 9.882 536 HB2 ASP 61 1HB ASP 61 10.220 -14.011 7.463 537 HB3 ASP 61 2HB ASP 61 11.679 -14.791 8.083 538 H CYS 62 H CYS 62 10.387 -11.478 7.059 539 HA CYS 62 HA CYS 62 12.742 -11.195 5.483 540 HB2 CYS 62 1HB CYS 62 10.007 -10.202 5.525 541 HB3 CYS 62 2HB CYS 62 11.120 -8.907 5.102 542 HG CYS 62 HG CYS 62 10.564 -9.524 2.851 543 H PHE 63 H PHE 63 11.256 -9.005 7.932 544 HA PHE 63 HA PHE 63 13.209 -6.928 7.600 545 HB2 PHE 63 1HB PHE 63 11.685 -7.706 10.115 546 HB3 PHE 63 2HB PHE 63 12.542 -6.190 9.867 547 HD1 PHE 63 HD1 PHE 63 11.526 -5.911 6.839 548 HD2 PHE 63 HD2 PHE 63 9.585 -6.584 10.622 549 HE1 PHE 63 HE1 PHE 63 9.463 -4.846 5.960 550 HE2 PHE 63 HE2 PHE 63 7.518 -5.504 9.746 551 HZ PHE 63 HZ PHE 63 7.455 -4.635 7.410 552 H GLN 64 H GLN 64 13.071 -9.877 9.598 553 HA GLN 64 HA GLN 64 15.378 -9.210 11.162 554 HB2 GLN 64 1HB GLN 64 13.571 -10.858 11.740 555 HB3 GLN 64 2HB GLN 64 14.272 -11.972 10.561 556 HG2 GLN 64 1HG GLN 64 16.339 -12.081 11.826 557 HG3 GLN 64 2HG GLN 64 15.770 -10.823 12.937 558 HE21 GLN 64 2HE2 GLN 64 16.027 -14.131 12.417 559 HE22 GLN 64 1HE2 GLN 64 14.908 -14.662 13.647 560 H ASP 65 H ASP 65 14.984 -11.066 8.108 561 HA ASP 65 HA ASP 65 17.721 -11.958 8.050 562 HB2 ASP 65 1HB ASP 65 15.746 -12.793 6.691 563 HB3 ASP 65 2HB ASP 65 15.952 -11.380 5.655 564 H TYR 66 H TYR 66 16.031 -9.130 6.711 565 HA TYR 66 HA TYR 66 18.302 -8.003 5.376 566 HB2 TYR 66 1HB TYR 66 15.742 -7.487 5.277 567 HB3 TYR 66 2HB TYR 66 16.063 -6.401 6.618 568 HD1 TYR 66 HD1 TYR 66 18.371 -4.839 6.030 569 HD2 TYR 66 HD2 TYR 66 15.563 -6.490 3.214 570 HE1 TYR 66 HE1 TYR 66 18.990 -3.091 4.364 571 HE2 TYR 66 HE2 TYR 66 16.170 -4.711 1.578 572 HH TYR 66 HH TYR 66 17.352 -2.784 1.226 573 H PHE 67 H PHE 67 17.009 -7.814 8.697 574 HA PHE 67 HA PHE 67 18.869 -5.802 9.635 575 HB2 PHE 67 1HB PHE 67 16.730 -6.462 10.754 576 HB3 PHE 67 2HB PHE 67 17.471 -7.998 11.208 577 HD1 PHE 67 HD1 PHE 67 19.469 -7.984 12.793 578 HD2 PHE 67 HD2 PHE 67 17.073 -4.494 12.027 579 HE1 PHE 67 HE1 PHE 67 20.346 -6.927 14.870 580 HE2 PHE 67 HE2 PHE 67 17.914 -3.445 14.107 581 HZ PHE 67 HZ PHE 67 19.562 -4.655 15.538 582 H ASN 68 H ASN 68 18.989 -9.390 9.477 583 HA ASN 68 HA ASN 68 21.416 -9.643 10.999 584 HB2 ASN 68 1HB ASN 68 20.236 -11.393 8.797 585 HB3 ASN 68 2HB ASN 68 21.643 -11.836 9.769 586 HD21 ASN 68 2HD2 ASN 68 19.064 -13.155 9.507 587 HD22 ASN 68 1HD2 ASN 68 18.428 -13.247 11.131 588 H THR 69 H THR 69 20.719 -8.872 7.634 589 HA THR 69 HA THR 69 23.350 -9.406 6.636 590 HB THR 69 HB THR 69 21.240 -7.491 5.516 591 HG1 THR 69 HG1 THR 69 20.487 -9.677 5.823 592 HG21 THR 69 1HG2 THR 69 23.412 -7.199 4.419 593 HG22 THR 69 2HG2 THR 69 22.296 -8.062 3.338 594 HG23 THR 69 3HG2 THR 69 23.562 -8.960 4.204 595 H PHE 70 H PHE 70 21.802 -6.322 7.713 596 HA PHE 70 HA PHE 70 24.550 -5.135 7.621 597 HB2 PHE 70 1HB PHE 70 22.289 -4.471 6.072 598 HB3 PHE 70 2HB PHE 70 22.543 -3.152 7.214 599 HD1 PHE 70 HD2 PHE 70 24.848 -2.064 7.359 600 HD2 PHE 70 HD1 PHE 70 23.703 -4.728 4.184 601 HE1 PHE 70 HE2 PHE 70 26.690 -1.161 5.959 602 HE2 PHE 70 HE1 PHE 70 25.551 -3.833 2.763 603 HZ PHE 70 HZ PHE 70 27.049 -2.042 3.651 604 H GLY 71 H GLY 71 22.197 -5.870 9.862 605 HA2 GLY 71 1HA GLY 71 22.205 -5.218 12.086 606 HA3 GLY 71 2HA GLY 71 23.383 -3.956 11.709 607 HA PRO 72 HA PRO 72 19.205 -2.156 12.670 608 HB2 PRO 72 1HB PRO 72 19.968 -0.374 14.586 609 HB3 PRO 72 2HB PRO 72 19.729 -2.115 14.938 610 HG2 PRO 72 1HG PRO 72 22.282 -0.664 14.293 611 HG3 PRO 72 2HG PRO 72 21.914 -1.729 15.689 612 HD2 PRO 72 1HD PRO 72 23.181 -2.683 13.516 613 HD3 PRO 72 2HD PRO 72 21.935 -3.671 14.359 614 H GLU 73 H GLU 73 22.092 -0.871 11.343 615 HA GLU 73 HA GLU 73 21.106 1.858 11.047 616 HB2 GLU 73 1HB GLU 73 23.026 2.123 9.531 617 HB3 GLU 73 2HB GLU 73 23.490 1.470 11.104 618 HG2 GLU 73 1HG GLU 73 23.846 -0.698 10.225 619 HG3 GLU 73 2HG GLU 73 23.016 -0.304 8.715 620 H LYS 74 H LYS 74 20.409 -1.115 9.510 621 HA LYS 74 HA LYS 74 19.443 0.344 7.072 622 HB2 LYS 74 1HB LYS 74 20.687 -2.268 7.490 623 HB3 LYS 74 2HB LYS 74 19.214 -2.354 6.529 624 HG2 LYS 74 1HG LYS 74 21.144 -2.098 5.058 625 HG3 LYS 74 2HG LYS 74 20.117 -0.658 4.962 626 HD2 LYS 74 1HD LYS 74 21.642 0.569 6.440 627 HD3 LYS 74 2HD LYS 74 22.633 -0.882 6.655 628 HE2 LYS 74 1HE LYS 74 23.200 -0.883 4.279 629 HE3 LYS 74 2HE LYS 74 22.159 0.539 4.017 630 HZ1 LYS 74 3HZ LYS 74 24.557 1.064 4.348 631 HZ2 LYS 74 1HZ LYS 74 24.453 0.509 5.903 632 HZ3 LYS 74 2HZ LYS 74 23.572 1.818 5.438 633 H VAL 75 H VAL 75 18.443 -1.979 9.606 634 HA VAL 75 HA VAL 75 15.638 -1.247 8.828 635 HB VAL 75 HB VAL 75 16.628 -3.859 10.081 636 HG11 VAL 75 1HG1 VAL 75 14.422 -3.243 10.982 637 HG12 VAL 75 2HG1 VAL 75 13.798 -2.993 9.332 638 HG13 VAL 75 3HG1 VAL 75 14.273 -4.620 9.877 639 HG21 VAL 75 3HG2 VAL 75 17.121 -3.849 7.727 640 HG22 VAL 75 1HG2 VAL 75 15.716 -4.890 8.007 641 HG23 VAL 75 2HG2 VAL 75 15.488 -3.260 7.333 642 HA PRO 76 HA PRO 76 16.191 0.282 12.937 643 HB2 PRO 76 1HB PRO 76 13.757 1.351 13.481 644 HB3 PRO 76 2HB PRO 76 14.866 2.101 12.305 645 HG2 PRO 76 1HG PRO 76 12.530 0.302 11.798 646 HG3 PRO 76 2HG PRO 76 12.950 1.850 11.009 647 HD2 PRO 76 1HD PRO 76 13.544 -0.590 9.919 648 HD3 PRO 76 2HD PRO 76 14.576 0.860 9.672 649 H VAL 77 H VAL 77 15.710 -0.408 15.086 650 HA VAL 77 HA VAL 77 14.544 -3.010 15.314 651 HB VAL 77 HB VAL 77 14.744 -2.671 17.770 652 HG11 VAL 77 1HG1 VAL 77 17.192 -2.495 17.824 653 HG12 VAL 77 2HG1 VAL 77 16.678 -3.442 16.413 654 HG13 VAL 77 3HG1 VAL 77 17.203 -1.753 16.208 655 HG21 VAL 77 3HG2 VAL 77 15.741 -0.602 18.662 656 HG22 VAL 77 1HG2 VAL 77 15.723 0.135 17.047 657 HG23 VAL 77 2HG2 VAL 77 14.194 -0.249 17.876 658 H THR 78 H THR 78 13.141 0.171 15.287 659 HA THR 78 HA THR 78 10.755 -0.579 16.735 660 HB THR 78 HB THR 78 11.607 1.821 16.307 661 HG1 THR 78 HG1 THR 78 9.400 2.546 16.332 662 HG21 THR 78 1HG2 THR 78 9.858 1.615 13.869 663 HG22 THR 78 2HG2 THR 78 11.630 1.564 13.782 664 HG23 THR 78 3HG2 THR 78 10.817 3.002 14.421 665 H ALA 79 H ALA 79 11.870 -1.153 13.457 666 HA ALA 79 HA ALA 79 9.285 -1.332 12.231 667 HB1 ALA 79 3HB ALA 79 11.339 -1.321 10.912 668 HB2 ALA 79 1HB ALA 79 11.859 -2.852 11.651 669 HB3 ALA 79 2HB ALA 79 10.429 -2.813 10.591 670 H PHE 80 H PHE 80 11.189 -3.583 14.216 671 HA PHE 80 HA PHE 80 9.374 -5.805 13.848 672 HB2 PHE 80 1HB PHE 80 11.367 -5.240 16.070 673 HB3 PHE 80 2HB PHE 80 10.601 -6.797 15.729 674 HD1 PHE 80 HD1 PHE 80 11.223 -8.094 13.715 675 HD2 PHE 80 HD2 PHE 80 13.187 -4.405 14.713 676 HE1 PHE 80 HE1 PHE 80 13.047 -8.642 12.134 677 HE2 PHE 80 HE2 PHE 80 15.014 -4.925 13.119 678 HZ PHE 80 HZ PHE 80 14.942 -7.052 11.808 679 H SER 81 H SER 81 9.552 -3.055 16.036 680 HA SER 81 HA SER 81 7.677 -4.109 17.989 681 HB2 SER 81 1HB SER 81 9.279 -2.271 18.506 682 HB3 SER 81 2HB SER 81 8.426 -1.222 17.356 683 HG SER 81 HG SER 81 7.324 -2.408 19.697 684 H TYR 82 H TYR 82 7.509 -1.902 15.191 685 HA TYR 82 HA TYR 82 4.694 -1.453 15.226 686 HB2 TYR 82 1HB TYR 82 6.927 -1.300 13.235 687 HB3 TYR 82 2HB TYR 82 5.285 -1.392 12.593 688 HD1 TYR 82 HD2 TYR 82 3.606 0.330 13.134 689 HD2 TYR 82 HD1 TYR 82 7.728 0.780 14.323 690 HE1 TYR 82 HE2 TYR 82 3.273 2.787 13.452 691 HE2 TYR 82 HE1 TYR 82 7.364 3.224 14.627 692 HH TYR 82 HH TYR 82 5.887 5.017 14.215 693 H TRP 83 H TRP 83 6.715 -3.942 13.615 694 HA TRP 83 HA TRP 83 4.634 -5.269 12.264 695 HB2 TRP 83 1HB TRP 83 7.039 -5.689 11.900 696 HB3 TRP 83 2HB TRP 83 7.179 -6.368 13.515 697 HD1 TRP 83 HD1 TRP 83 5.655 -7.247 10.093 698 HE1 TRP 83 HE1 TRP 83 5.185 -9.748 9.970 699 HE3 TRP 83 HE3 TRP 83 6.834 -8.413 14.928 700 HZ2 TRP 83 HZ2 TRP 83 5.290 -11.960 11.745 701 HZ3 TRP 83 HZ3 TRP 83 6.651 -10.796 15.666 702 HH2 TRP 83 HH2 TRP 83 5.879 -12.555 14.070 703 H ASN 84 H ASN 84 5.798 -5.646 15.613 704 HA ASN 84 HA ASN 84 4.259 -7.974 16.230 705 HB2 ASN 84 1HB ASN 84 5.744 -5.901 17.757 706 HB3 ASN 84 2HB ASN 84 4.477 -6.761 18.639 707 HD21 ASN 84 2HD2 ASN 84 7.641 -6.922 17.331 708 HD22 ASN 84 1HD2 ASN 84 7.983 -8.568 17.823 709 H LEU 85 H LEU 85 3.429 -4.540 16.127 710 HA LEU 85 HA LEU 85 1.040 -4.732 17.723 711 HB2 LEU 85 1HB LEU 85 2.272 -2.637 17.176 712 HB3 LEU 85 2HB LEU 85 1.750 -2.785 15.504 713 HG LEU 85 HG LEU 85 -0.514 -2.850 17.355 714 HD11 LEU 85 1HD1 LEU 85 0.923 -1.430 18.715 715 HD12 LEU 85 2HD1 LEU 85 -0.345 -0.449 17.957 716 HD13 LEU 85 3HD1 LEU 85 1.307 -0.414 17.301 717 HD21 LEU 85 3HD2 LEU 85 0.266 -1.015 15.042 718 HD22 LEU 85 1HD2 LEU 85 -1.343 -1.118 15.797 719 HD23 LEU 85 2HD2 LEU 85 -0.691 -2.508 14.908 720 H ILE 86 H ILE 86 1.686 -5.057 14.195 721 HA ILE 86 HA ILE 86 -1.155 -5.435 13.673 722 HB ILE 86 HB ILE 86 1.205 -6.097 11.894 723 HG12 ILE 86 1HG1 ILE 86 -0.272 -3.854 10.970 724 HG13 ILE 86 HG13 ILE 86 0.000 -3.577 12.690 725 HG21 ILE 86 1HG2 ILE 86 -1.792 -5.839 11.362 726 HG22 ILE 86 2HG2 ILE 86 -0.544 -5.931 10.085 727 HG23 ILE 86 3HG2 ILE 86 -0.790 -7.294 11.185 728 HD11 ILE 86 3HD1 ILE 86 2.046 -3.994 10.514 729 HD12 ILE 86 1HD1 ILE 86 1.834 -2.594 11.591 730 HD13 ILE 86 2HD1 ILE 86 2.447 -4.128 12.242 731 H LYS 87 H LYS 87 1.630 -7.457 14.475 732 HA LYS 87 HA LYS 87 0.510 -9.958 13.721 733 HB2 LYS 87 1HB LYS 87 2.692 -10.281 14.249 734 HB3 LYS 87 2HB LYS 87 2.697 -8.976 15.421 735 HG2 LYS 87 1HG LYS 87 1.613 -10.457 17.083 736 HG3 LYS 87 2HG LYS 87 1.697 -11.784 15.913 737 HD2 LYS 87 1HD LYS 87 4.076 -11.794 15.989 738 HD3 LYS 87 2HD LYS 87 4.115 -10.202 16.768 739 HE2 LYS 87 1HE LYS 87 2.907 -11.222 18.739 740 HE3 LYS 87 2HE LYS 87 3.178 -12.814 18.000 741 HZ1 LYS 87 3HZ LYS 87 5.562 -12.377 18.106 742 HZ2 LYS 87 1HZ LYS 87 4.908 -12.216 19.613 743 HZ3 LYS 87 2HZ LYS 87 5.305 -10.871 18.738 744 H GLU 88 H GLU 88 0.242 -8.146 16.868 745 HA GLU 88 HA GLU 88 -1.403 -10.235 18.006 746 HB2 GLU 88 1HB GLU 88 -1.987 -8.588 19.735 747 HB3 GLU 88 2HB GLU 88 -0.242 -8.670 19.457 748 HG2 GLU 88 1HG GLU 88 -0.337 -6.621 18.129 749 HG3 GLU 88 2HG GLU 88 -2.086 -6.520 18.365 750 H LEU 89 H LEU 89 -2.068 -7.415 15.986 751 HA LEU 89 HA LEU 89 -4.892 -7.422 16.429 752 HB2 LEU 89 1HB LEU 89 -3.114 -6.257 14.314 753 HB3 LEU 89 2HB LEU 89 -4.862 -6.156 14.190 754 HG LEU 89 HG LEU 89 -3.296 -5.112 16.572 755 HD11 LEU 89 1HD1 LEU 89 -4.367 -3.577 14.172 756 HD12 LEU 89 2HD1 LEU 89 -2.656 -3.920 14.509 757 HD13 LEU 89 3HD1 LEU 89 -3.582 -2.879 15.604 758 HD21 LEU 89 3HD2 LEU 89 -5.644 -5.548 17.113 759 HD22 LEU 89 1HD2 LEU 89 -6.169 -4.650 15.673 760 HD23 LEU 89 2HD2 LEU 89 -5.371 -3.802 17.007 761 H ILE 90 H ILE 90 -2.880 -9.062 13.940 762 HA ILE 90 HA ILE 90 -5.297 -10.089 12.633 763 HB ILE 90 HB ILE 90 -2.433 -11.127 12.364 764 HG12 ILE 90 1HG1 ILE 90 -3.883 -9.357 10.379 765 HG13 ILE 90 2HG1 ILE 90 -2.875 -8.679 11.659 766 HG21 ILE 90 1HG2 ILE 90 -3.331 -12.106 10.191 767 HG22 ILE 90 2HG2 ILE 90 -4.118 -12.793 11.622 768 HG23 ILE 90 3HG2 ILE 90 -4.956 -11.557 10.663 769 HD11 ILE 90 3HD1 ILE 90 -1.891 -10.632 9.515 770 HD12 ILE 90 1HD1 ILE 90 -1.589 -8.881 9.557 771 HD13 ILE 90 2HD1 ILE 90 -0.904 -9.930 10.818 772 H ASP 91 H ASP 91 -2.857 -11.326 14.962 773 HA ASP 91 HA ASP 91 -3.690 -14.038 14.904 774 HB2 ASP 91 1HB ASP 91 -1.601 -13.026 15.962 775 HB3 ASP 91 2HB ASP 91 -2.610 -12.578 17.345 776 H LYS 92 H LYS 92 -4.910 -11.246 16.718 777 HA LYS 92 HA LYS 92 -7.138 -12.992 17.713 778 HB2 LYS 92 1HB LYS 92 -5.865 -10.520 18.922 779 HB3 LYS 92 2HB LYS 92 -7.362 -11.241 19.520 780 HG2 LYS 92 1HG LYS 92 -4.804 -12.849 19.302 781 HG3 LYS 92 2HG LYS 92 -5.196 -11.882 20.732 782 HD2 LYS 92 1HD LYS 92 -6.827 -13.302 21.436 783 HD3 LYS 92 2HD LYS 92 -7.390 -13.667 19.801 784 HE2 LYS 92 1HE LYS 92 -4.754 -14.744 20.842 785 HE3 LYS 92 2HE LYS 92 -6.295 -15.571 21.148 786 HZ1 LYS 92 3HZ LYS 92 -5.266 -16.452 19.180 787 HZ2 LYS 92 1HZ LYS 92 -5.162 -14.972 18.474 788 HZ3 LYS 92 2HZ LYS 92 -6.647 -15.658 18.740 789 H LYS 93 H LYS 93 -7.088 -11.808 15.056 790 HA LYS 93 HA LYS 93 -8.695 -9.426 15.064 791 HB2 LYS 93 1HB LYS 93 -9.169 -9.825 12.753 792 HB3 LYS 93 2HB LYS 93 -7.471 -10.128 13.084 793 HG2 LYS 93 1HG LYS 93 -7.943 -12.587 13.065 794 HG3 LYS 93 2HG LYS 93 -9.613 -12.224 12.583 795 HD2 LYS 93 1HD LYS 93 -8.831 -11.104 10.549 796 HD3 LYS 93 2HD LYS 93 -7.144 -11.258 11.067 797 HE2 LYS 93 1HE LYS 93 -7.278 -13.708 10.901 798 HE3 LYS 93 2HE LYS 93 -8.981 -13.593 10.433 799 HZ1 LYS 93 3HZ LYS 93 -6.686 -12.555 8.838 800 HZ2 LYS 93 1HZ LYS 93 -8.271 -12.380 8.419 801 HZ3 LYS 93 2HZ LYS 93 -7.594 -13.879 8.479 802 H GLU 94 H GLU 94 -9.392 -12.679 15.786 803 HA GLU 94 HA GLU 94 -12.164 -12.858 15.247 804 HB2 GLU 94 1HB GLU 94 -12.105 -14.660 16.927 805 HB3 GLU 94 2HB GLU 94 -10.739 -14.753 15.808 806 HG2 GLU 94 1HG GLU 94 -9.345 -13.551 17.578 807 HG3 GLU 94 2HG GLU 94 -10.686 -13.810 18.690 808 H VAL 95 H VAL 95 -10.485 -11.141 17.858 809 HA VAL 95 HA VAL 95 -13.174 -10.463 19.007 810 HB VAL 95 HB VAL 95 -11.947 -10.048 21.182 811 HG11 VAL 95 1HG1 VAL 95 -11.870 -12.415 21.836 812 HG12 VAL 95 2HG1 VAL 95 -13.285 -12.075 20.817 813 HG13 VAL 95 3HG1 VAL 95 -11.876 -12.900 20.128 814 HG21 VAL 95 3HG2 VAL 95 -9.688 -11.626 19.854 815 HG22 VAL 95 1HG2 VAL 95 -9.641 -9.883 20.215 816 HG23 VAL 95 2HG2 VAL 95 -9.749 -11.059 21.537 817 H ASN 96 H ASN 96 -11.125 -9.265 16.942 818 HA ASN 96 HA ASN 96 -11.367 -6.470 18.024 819 HB2 ASN 96 1HB ASN 96 -9.081 -7.769 16.510 820 HB3 ASN 96 2HB ASN 96 -9.344 -6.019 16.490 821 HD21 ASN 96 2HD2 ASN 96 -8.344 -8.748 18.399 822 HD22 ASN 96 1HD2 ASN 96 -7.724 -7.801 19.736 823 HA PRO 97 HA PRO 97 -13.623 -7.331 14.108 824 HB2 PRO 97 1HB PRO 97 -15.846 -5.777 14.513 825 HB3 PRO 97 2HB PRO 97 -15.666 -7.430 15.184 826 HG2 PRO 97 1HG PRO 97 -15.104 -4.792 16.523 827 HG3 PRO 97 2HG PRO 97 -16.113 -6.158 17.103 828 HD2 PRO 97 1HD PRO 97 -13.576 -5.877 17.936 829 HD3 PRO 97 2HD PRO 97 -14.229 -7.507 17.541 830 H GLN 98 H GLN 98 -12.683 -4.275 15.587 831 HA GLN 98 HA GLN 98 -13.264 -2.537 13.378 832 HB2 GLN 98 1HB GLN 98 -11.069 -2.485 15.496 833 HB3 GLN 98 2HB GLN 98 -11.290 -1.212 14.299 834 HG2 GLN 98 1HG GLN 98 -12.256 -0.483 16.323 835 HG3 GLN 98 2HG GLN 98 -13.565 -0.803 15.176 836 HE21 GLN 98 2HE2 GLN 98 -15.164 -1.145 16.681 837 HE22 GLN 98 1HE2 GLN 98 -15.171 -2.520 17.762 838 H VAL 99 H VAL 99 -10.452 -4.542 14.276 839 HA VAL 99 HA VAL 99 -9.088 -3.661 11.862 840 HB VAL 99 HB VAL 99 -7.984 -4.166 14.168 841 HG11 VAL 99 1HG1 VAL 99 -7.126 -6.398 14.493 842 HG12 VAL 99 2HG1 VAL 99 -8.874 -6.526 14.294 843 HG13 VAL 99 3HG1 VAL 99 -7.799 -6.956 12.950 844 HG21 VAL 99 3HG2 VAL 99 -6.810 -3.474 12.132 845 HG22 VAL 99 1HG2 VAL 99 -5.880 -4.687 13.027 846 HG23 VAL 99 2HG2 VAL 99 -6.773 -5.162 11.571 847 H MET 100 H MET 100 -10.947 -6.495 12.925 848 HA MET 100 HA MET 100 -10.092 -8.277 10.902 849 HB2 MET 100 1HB MET 100 -11.509 -8.856 12.830 850 HB3 MET 100 2HB MET 100 -12.860 -7.975 12.122 851 HG2 MET 100 1HG MET 100 -11.575 -10.152 10.515 852 HG3 MET 100 2HG MET 100 -12.617 -10.601 11.877 853 HE1 MET 100 3HE MET 100 -12.531 -9.992 8.205 854 HE2 MET 100 1HE MET 100 -13.294 -11.466 8.852 855 HE3 MET 100 2HE MET 100 -14.258 -10.303 7.912 856 H ALA 101 H ALA 101 -12.610 -5.737 10.836 857 HA ALA 101 HA ALA 101 -13.476 -6.266 8.162 858 HB1 ALA 101 3HB ALA 101 -14.746 -4.889 9.768 859 HB2 ALA 101 1HB ALA 101 -13.455 -3.664 9.748 860 HB3 ALA 101 2HB ALA 101 -14.406 -3.980 8.277 861 H ALA 102 H ALA 102 -10.671 -4.535 9.456 862 HA ALA 102 HA ALA 102 -10.075 -3.240 6.906 863 HB1 ALA 102 3HB ALA 102 -8.059 -2.464 8.054 864 HB2 ALA 102 1HB ALA 102 -9.496 -2.163 9.059 865 HB3 ALA 102 2HB ALA 102 -8.407 -3.519 9.439 866 H VAL 103 H VAL 103 -9.184 -6.198 8.673 867 HA VAL 103 HA VAL 103 -6.888 -6.863 7.072 868 HB VAL 103 HB VAL 103 -8.888 -8.669 8.535 869 HG11 VAL 103 1HG1 VAL 103 -6.990 -10.367 8.381 870 HG12 VAL 103 2HG1 VAL 103 -7.866 -10.047 6.870 871 HG13 VAL 103 3HG1 VAL 103 -6.274 -9.318 7.148 872 HG21 VAL 103 3HG2 VAL 103 -6.038 -7.889 9.319 873 HG22 VAL 103 1HG2 VAL 103 -7.487 -7.097 9.952 874 HG23 VAL 103 2HG2 VAL 103 -7.213 -8.806 10.294 875 H ALA 104 H ALA 104 -10.358 -7.718 6.861 876 HA ALA 104 HA ALA 104 -10.153 -9.192 4.448 877 HB1 ALA 104 3HB ALA 104 -12.590 -8.797 4.274 878 HB2 ALA 104 1HB ALA 104 -12.120 -9.237 5.936 879 HB3 ALA 104 2HB ALA 104 -12.481 -7.541 5.531 880 H GLN 105 H GLN 105 -10.822 -5.696 5.004 881 HA GLN 105 HA GLN 105 -11.097 -5.065 2.241 882 HB2 GLN 105 1HB GLN 105 -10.436 -3.478 4.709 883 HB3 GLN 105 2HB GLN 105 -10.329 -2.740 3.096 884 HG2 GLN 105 1HG GLN 105 -12.667 -3.375 2.644 885 HG3 GLN 105 2HG GLN 105 -12.790 -4.039 4.280 886 HE21 GLN 105 2HE2 GLN 105 -13.238 -2.719 5.934 887 HE22 GLN 105 1HE2 GLN 105 -13.394 -0.978 5.794 888 H THR 106 H THR 106 -8.122 -5.357 4.268 889 HA THR 106 HA THR 106 -6.492 -4.075 2.242 890 HB THR 106 HB THR 106 -5.530 -6.141 4.255 891 HG1 THR 106 HG1 THR 106 -6.716 -4.492 5.312 892 HG21 THR 106 1HG2 THR 106 -4.210 -3.721 2.964 893 HG22 THR 106 2HG2 THR 106 -3.884 -5.420 2.548 894 HG23 THR 106 3HG2 THR 106 -3.455 -4.800 4.156 895 H GLU 107 H GLU 107 -7.517 -7.430 2.988 896 HA GLU 107 HA GLU 107 -5.983 -8.697 0.929 897 HB2 GLU 107 1HB GLU 107 -8.628 -9.447 2.223 898 HB3 GLU 107 2HB GLU 107 -7.766 -10.485 1.085 899 HG2 GLU 107 1HG GLU 107 -5.848 -10.590 2.562 900 HG3 GLU 107 2HG GLU 107 -6.603 -9.467 3.689 901 H GLU 108 H GLU 108 -9.188 -7.081 0.858 902 HA GLU 108 HA GLU 108 -9.839 -7.809 -1.852 903 HB2 GLU 108 1HB GLU 108 -10.584 -5.404 -0.153 904 HB3 GLU 108 2HB GLU 108 -11.232 -5.677 -1.764 905 HG2 GLU 108 1HG GLU 108 -12.387 -7.649 -1.053 906 HG3 GLU 108 2HG GLU 108 -11.578 -7.625 0.521 907 H ILE 109 H ILE 109 -8.315 -4.878 -0.461 908 HA ILE 109 HA ILE 109 -8.048 -3.483 -2.939 909 HB ILE 109 HB ILE 109 -6.523 -3.241 -0.296 910 HG12 ILE 109 1HG1 ILE 109 -8.580 -1.339 -1.472 911 HG13 ILE 109 2HG1 ILE 109 -9.071 -2.740 -0.526 912 HG21 ILE 109 1HG2 ILE 109 -5.080 -2.284 -2.068 913 HG22 ILE 109 2HG2 ILE 109 -6.446 -1.357 -2.723 914 HG23 ILE 109 3HG2 ILE 109 -5.784 -0.967 -1.120 915 HD11 ILE 109 3HD1 ILE 109 -7.690 -1.891 1.391 916 HD12 ILE 109 1HD1 ILE 109 -7.378 -0.412 0.447 917 HD13 ILE 109 2HD1 ILE 109 -9.037 -0.825 0.931 918 H LEU 110 H LEU 110 -5.909 -5.783 -1.260 919 HA LEU 110 HA LEU 110 -3.654 -5.374 -2.955 920 HB2 LEU 110 1HB LEU 110 -4.594 -7.443 -1.050 921 HB3 LEU 110 2HB LEU 110 -3.400 -7.965 -2.230 922 HG LEU 110 HG LEU 110 -1.730 -6.611 -1.393 923 HD11 LEU 110 1HD1 LEU 110 -2.002 -4.763 0.259 924 HD12 LEU 110 2HD1 LEU 110 -3.763 -4.891 0.073 925 HD13 LEU 110 3HD1 LEU 110 -2.748 -4.408 -1.303 926 HD21 LEU 110 3HD2 LEU 110 -3.456 -7.378 0.983 927 HD22 LEU 110 1HD2 LEU 110 -1.731 -6.952 1.079 928 HD23 LEU 110 2HD2 LEU 110 -2.236 -8.387 0.174 929 H LYS 111 H LYS 111 -6.575 -7.350 -3.526 930 HA LYS 111 HA LYS 111 -5.440 -8.736 -5.806 931 HB2 LYS 111 1HB LYS 111 -8.354 -7.997 -5.328 932 HB3 LYS 111 2HB LYS 111 -7.752 -9.276 -6.387 933 HG2 LYS 111 1HG LYS 111 -7.453 -9.212 -3.387 934 HG3 LYS 111 2HG LYS 111 -8.712 -10.096 -4.240 935 HD2 LYS 111 1HD LYS 111 -7.243 -11.703 -5.009 936 HD3 LYS 111 2HD LYS 111 -5.850 -10.606 -4.961 937 HE2 LYS 111 1HE LYS 111 -5.727 -12.329 -3.201 938 HE3 LYS 111 2HE LYS 111 -5.750 -10.670 -2.589 939 HZ1 LYS 111 3HZ LYS 111 -7.130 -12.059 -1.266 940 HZ2 LYS 111 1HZ LYS 111 -8.058 -12.497 -2.565 941 HZ3 LYS 111 2HZ LYS 111 -8.058 -10.932 -2.029 942 H SER 112 H SER 112 -6.899 -5.590 -5.307 943 HA SER 112 HA SER 112 -7.230 -5.075 -8.179 944 HB2 SER 112 1HB SER 112 -8.715 -4.178 -6.323 945 HB3 SER 112 2HB SER 112 -7.374 -3.118 -5.860 946 HG SER 112 HG SER 112 -7.421 -2.438 -8.151 947 H ASN 113 H ASN 113 -4.739 -4.836 -5.846 948 HA ASN 113 HA ASN 113 -3.491 -2.423 -6.754 949 HB2 ASN 113 1HB ASN 113 -3.286 -3.648 -4.502 950 HB3 ASN 113 2HB ASN 113 -2.092 -4.675 -5.313 951 HD21 ASN 113 2HD2 ASN 113 -2.908 -1.340 -4.449 952 HD22 ASN 113 1HD2 ASN 113 -1.267 -0.756 -4.442 953 H SER 114 H SER 114 -1.625 -2.060 -7.928 954 HA SER 114 HA SER 114 -1.087 -3.907 -10.095 955 HB2 SER 114 1HB SER 114 0.721 -2.201 -10.577 956 HB3 SER 114 2HB SER 114 -0.929 -1.546 -10.481 957 HG SER 114 HG SER 114 0.820 -1.600 -8.252 958 H GLN 115 H GLN 115 0.093 -5.699 -9.855 959 HA GLN 115 HA GLN 115 1.537 -6.549 -7.683 960 HB2 GLN 115 1HB GLN 115 1.923 -7.070 -10.640 961 HB3 GLN 115 2HB GLN 115 2.946 -7.835 -9.430 962 HG2 GLN 115 1HG GLN 115 0.913 -8.774 -8.349 963 HG3 GLN 115 2HG GLN 115 -0.046 -8.133 -9.696 964 HE21 GLN 115 2HE2 GLN 115 2.786 -10.180 -8.963 965 HE22 GLN 115 1HE2 GLN 115 2.535 -11.277 -10.311 966 H THR 116 H THR 116 2.991 -4.815 -10.458 967 HA THR 116 HA THR 116 5.073 -3.921 -10.779 968 HB THR 116 HB THR 116 5.130 -3.347 -7.834 969 HG1 THR 116 HG1 THR 116 3.068 -2.791 -8.433 970 HG21 THR 116 1HG2 THR 116 6.117 -1.222 -8.608 971 HG22 THR 116 2HG2 THR 116 5.901 -1.734 -10.298 972 HG23 THR 116 3HG2 THR 116 7.043 -2.602 -9.243 973 H ASP 117 H ASP 117 5.191 -6.478 -10.756 974 HA ASP 117 HA ASP 117 7.313 -7.412 -8.883 975 HB2 ASP 117 1HB ASP 117 4.935 -8.682 -10.188 976 HB3 ASP 117 2HB ASP 117 6.376 -9.680 -9.982 977 H LEU 118 H LEU 118 8.813 -8.930 -9.682 978 HA LEU 118 HA LEU 118 10.415 -9.747 -10.929 979 HB2 LEU 118 1HB LEU 118 8.593 -9.414 -13.294 980 HB3 LEU 118 2HB LEU 118 9.955 -10.486 -13.098 981 HG LEU 118 HG LEU 118 7.387 -10.747 -11.550 982 HD11 LEU 118 1HD1 LEU 118 6.930 -12.651 -13.032 983 HD12 LEU 118 2HD1 LEU 118 8.413 -12.304 -13.951 984 HD13 LEU 118 3HD1 LEU 118 7.066 -11.140 -13.953 985 HD21 LEU 118 3HD2 LEU 118 8.261 -13.008 -10.994 986 HD22 LEU 118 1HD2 LEU 118 9.283 -11.719 -10.337 987 HD23 LEU 118 2HD2 LEU 118 9.795 -12.600 -11.798 988 H GLU 119 H GLU 119 12.258 -9.278 -11.795 989 HA GLU 119 HA GLU 119 12.529 -7.289 -13.885 990 HB2 GLU 119 1HB GLU 119 13.654 -5.610 -12.802 991 HB3 GLU 119 2HB GLU 119 12.505 -6.058 -11.553 992 HG2 GLU 119 1HG GLU 119 15.453 -6.728 -11.670 993 HG3 GLU 119 2HG GLU 119 14.646 -5.635 -10.554 994 H HIS 120 H HIS 120 15.312 -7.175 -13.942 995 HA HIS 120 HA HIS 120 16.040 -10.081 -13.873 996 HB2 HIS 120 1HB HIS 120 15.697 -8.790 -16.112 997 HB3 HIS 120 2HB HIS 120 17.270 -8.067 -15.766 998 HD1 HIS 120 HD1 HIS 120 19.370 -9.700 -15.816 999 HD2 HIS 120 HD2 HIS 120 15.732 -11.463 -16.923 1000 HE1 HIS 120 HE1 HIS 120 19.932 -11.919 -16.960 1001 H HIS 121 H HIS 121 16.445 -8.856 -11.511 1002 HA HIS 121 HA HIS 121 19.408 -8.373 -11.441 1003 HB2 HIS 121 1HB HIS 121 18.120 -6.200 -11.614 1004 HB3 HIS 121 2HB HIS 121 17.322 -6.611 -10.092 1005 HD1 HIS 121 HD1 HIS 121 20.750 -5.671 -11.503 1006 HD2 HIS 121 HD2 HIS 121 18.786 -6.016 -7.811 1007 HE1 HIS 121 HE1 HIS 121 22.290 -4.646 -9.742 1008 H HIS 122 H HIS 122 20.404 -9.244 -9.643 1009 HA HIS 122 HA HIS 122 20.654 -10.590 -7.787 1010 HB2 HIS 122 1HB HIS 122 19.586 -8.401 -6.825 1011 HB3 HIS 122 2HB HIS 122 18.121 -9.361 -6.634 1012 HD1 HIS 122 HD1 HIS 122 18.492 -8.850 -3.977 1013 HD2 HIS 122 HD2 HIS 122 21.369 -11.321 -5.790 1014 HE1 HIS 122 HE1 HIS 122 19.777 -10.001 -2.100 1015 H HIS 123 H HIS 123 17.978 -11.429 -6.271 1016 HA HIS 123 HA HIS 123 16.660 -13.319 -6.288 1017 HB2 HIS 123 1HB HIS 123 16.112 -12.237 -9.073 1018 HB3 HIS 123 2HB HIS 123 15.158 -13.498 -8.285 1019 HD1 HIS 123 HD1 HIS 123 15.019 -9.947 -8.867 1020 HD2 HIS 123 HD2 HIS 123 14.193 -12.437 -5.564 1021 HE1 HIS 123 HE1 HIS 123 13.494 -8.650 -7.303 1022 H HIS 124 H HIS 124 19.008 -14.383 -6.416 1023 HA HIS 124 HA HIS 124 20.206 -16.243 -6.972 1024 HB2 HIS 124 1HB HIS 124 17.861 -17.254 -8.619 1025 HB3 HIS 124 2HB HIS 124 19.125 -18.193 -7.814 1026 HD1 HIS 124 HD1 HIS 124 15.684 -17.102 -7.421 1027 HD2 HIS 124 HD2 HIS 124 18.863 -17.967 -4.824 1028 HE1 HIS 124 HE1 HIS 124 14.670 -17.511 -5.110 1029 H HIS 125 H HIS 125 19.569 -17.706 -9.657 1030 HA HIS 125 HA HIS 125 20.375 -15.854 -11.738 1031 HB2 HIS 125 1HB HIS 125 22.411 -17.319 -10.255 1032 HB3 HIS 125 2HB HIS 125 22.242 -18.022 -11.868 1033 HD1 HIS 125 HD1 HIS 125 22.166 -14.356 -10.696 1034 HD2 HIS 125 HD2 HIS 125 24.184 -16.857 -13.390 1035 HE1 HIS 125 HE1 HIS 125 23.800 -12.881 -12.015 Start of MODEL 21 1 H21 MYR 1 1H2 MYR 1 0.469 -0.011 -0.785 2 H22 MYR 1 2H2 MYR 1 1.757 -0.433 0.335 3 H31 MYR 1 1H3 MYR 1 -0.978 -1.844 0.275 4 H32 MYR 1 2H3 MYR 1 0.415 -2.421 -0.634 5 H41 MYR 1 1H4 MYR 1 1.716 -2.728 1.482 6 H42 MYR 1 2H4 MYR 1 0.375 -2.076 2.420 7 H51 MYR 1 1H5 MYR 1 -1.091 -3.967 1.671 8 H52 MYR 1 2H5 MYR 1 0.229 -4.610 0.697 9 H61 MYR 1 1H6 MYR 1 0.164 -5.919 2.682 10 H62 MYR 1 2H6 MYR 1 1.595 -4.906 2.828 11 H71 MYR 1 1H7 MYR 1 0.427 -3.393 4.401 12 H72 MYR 1 2H7 MYR 1 -1.113 -4.215 4.137 13 H81 MYR 1 1H8 MYR 1 -0.326 -6.245 5.233 14 H82 MYR 1 2H8 MYR 1 1.334 -5.695 5.213 15 H91 MYR 1 1H9 MYR 1 0.534 -3.707 6.735 16 H92 MYR 1 2H9 MYR 1 0.762 -5.279 7.447 17 H101 MYR 1 1H10 MYR 1 -1.958 -4.191 6.580 18 H102 MYR 1 2H10 MYR 1 -1.302 -4.130 8.210 19 H111 MYR 1 1H11 MYR 1 -2.160 -6.638 6.673 20 H112 MYR 1 2H11 MYR 1 -1.119 -6.736 8.089 21 H121 MYR 1 1H12 MYR 1 -3.357 -7.063 8.902 22 H122 MYR 1 2H12 MYR 1 -2.868 -5.459 9.423 23 H131 MYR 1 1H13 MYR 1 -4.130 -4.608 7.236 24 H132 MYR 1 2H13 MYR 1 -4.831 -6.220 7.190 25 H141 MYR 1 1H14 MYR 1 -5.715 -5.858 9.535 26 H142 MYR 1 2H14 MYR 1 -5.029 -4.221 9.514 27 H143 MYR 1 3H14 MYR 1 -6.313 -4.659 8.385 28 H GLY 2 H GLY 2 1.694 0.319 2.362 29 HA2 GLY 2 1HA GLY 2 -0.541 1.098 3.900 30 HA3 GLY 2 2HA GLY 2 1.127 1.612 4.171 31 H GLN 3 H GLN 3 1.588 3.065 1.757 32 HA GLN 3 HA GLN 3 0.330 5.548 2.509 33 HB2 GLN 3 1HB GLN 3 1.426 6.519 0.588 34 HB3 GLN 3 2HB GLN 3 2.542 5.446 1.434 35 HG2 GLN 3 1HG GLN 3 2.201 3.716 -0.300 36 HG3 GLN 3 2HG GLN 3 1.063 4.776 -1.138 37 HE21 GLN 3 2HE2 GLN 3 4.442 4.307 -0.234 38 HE22 GLN 3 1HE2 GLN 3 5.074 5.403 -1.454 39 H GLU 4 H GLU 4 -0.418 3.084 0.095 40 HA GLU 4 HA GLU 4 -2.462 4.621 -1.263 41 HB2 GLU 4 1HB GLU 4 -1.406 2.823 -2.433 42 HB3 GLU 4 2HB GLU 4 -1.714 1.686 -1.121 43 HG2 GLU 4 1HG GLU 4 -4.083 1.754 -1.544 44 HG3 GLU 4 2HG GLU 4 -3.843 2.965 -2.806 45 H LEU 5 H LEU 5 -2.359 2.340 1.456 46 HA LEU 5 HA LEU 5 -5.182 2.077 1.746 47 HB2 LEU 5 1HB LEU 5 -2.724 1.407 3.231 48 HB3 LEU 5 2HB LEU 5 -4.161 1.588 4.221 49 HG LEU 5 HG LEU 5 -5.262 -0.193 3.174 50 HD11 LEU 5 1HD1 LEU 5 -4.959 0.197 0.856 51 HD12 LEU 5 2HD1 LEU 5 -4.473 -1.459 1.244 52 HD13 LEU 5 3HD1 LEU 5 -3.231 -0.219 0.964 53 HD21 LEU 5 3HD2 LEU 5 -3.327 -0.786 4.667 54 HD22 LEU 5 1HD2 LEU 5 -2.352 -1.049 3.202 55 HD23 LEU 5 2HD2 LEU 5 -3.784 -2.060 3.524 56 H SER 6 H SER 6 -2.859 4.389 3.345 57 HA SER 6 HA SER 6 -4.890 5.783 4.784 58 HB2 SER 6 1HB SER 6 -3.165 7.771 4.162 59 HB3 SER 6 2HB SER 6 -2.871 6.574 5.435 60 HG SER 6 HG SER 6 -1.964 6.411 2.736 61 H GLN 7 H GLN 7 -4.510 5.558 1.360 62 HA GLN 7 HA GLN 7 -5.872 8.175 0.918 63 HB2 GLN 7 1HB GLN 7 -3.822 7.408 -0.405 64 HB3 GLN 7 2HB GLN 7 -4.865 6.190 -1.144 65 HG2 GLN 7 1HG GLN 7 -6.291 7.948 -2.087 66 HG3 GLN 7 2HG GLN 7 -5.323 9.187 -1.272 67 HE21 GLN 7 2HE2 GLN 7 -4.482 6.266 -3.179 68 HE22 GLN 7 1HE2 GLN 7 -3.452 7.117 -4.302 69 H HIS 8 H HIS 8 -6.447 4.798 1.220 70 HA HIS 8 HA HIS 8 -8.971 4.817 -0.334 71 HB2 HIS 8 1HB HIS 8 -7.357 2.786 1.213 72 HB3 HIS 8 2HB HIS 8 -9.070 2.497 0.959 73 HD1 HIS 8 HD1 HIS 8 -5.858 3.034 -1.056 74 HD2 HIS 8 HD2 HIS 8 -9.736 1.497 -1.526 75 HE1 HIS 8 HE1 HIS 8 -5.941 1.872 -3.338 76 H GLU 9 H GLU 9 -10.329 6.284 0.731 77 HA GLU 9 HA GLU 9 -10.487 6.770 3.455 78 HB2 GLU 9 1HB GLU 9 -12.748 6.745 1.441 79 HB3 GLU 9 2HB GLU 9 -12.794 7.548 3.017 80 HG2 GLU 9 1HG GLU 9 -10.933 9.007 2.339 81 HG3 GLU 9 2HG GLU 9 -10.867 8.198 0.762 82 H ARG 10 H ARG 10 -12.192 4.164 1.705 83 HA ARG 10 HA ARG 10 -13.854 3.304 3.836 84 HB2 ARG 10 1HB ARG 10 -13.890 2.587 1.399 85 HB3 ARG 10 2HB ARG 10 -12.508 1.548 1.756 86 HG2 ARG 10 1HG ARG 10 -13.970 0.420 3.514 87 HG3 ARG 10 2HG ARG 10 -15.342 1.308 2.823 88 HD2 ARG 10 1HD ARG 10 -15.123 0.215 0.724 89 HD3 ARG 10 2HD ARG 10 -13.466 -0.302 1.086 90 HE ARG 10 HE ARG 10 -15.461 -1.450 2.870 91 HH11 ARG 10 1HH1 ARG 10 -13.741 -1.899 -0.179 92 HH12 ARG 10 2HH1 ARG 10 -13.971 -3.639 -0.160 93 HH21 ARG 10 1HH2 ARG 10 -15.706 -3.690 2.803 94 HH22 ARG 10 2HH2 ARG 10 -14.985 -4.611 1.497 95 H TYR 11 H TYR 11 -10.416 2.533 3.143 96 HA TYR 11 HA TYR 11 -10.208 0.613 5.308 97 HB2 TYR 11 1HB TYR 11 -8.808 0.701 3.211 98 HB3 TYR 11 2HB TYR 11 -8.057 2.174 3.832 99 HD1 TYR 11 HD2 TYR 11 -8.462 -1.473 4.386 100 HD2 TYR 11 HD1 TYR 11 -6.346 2.089 5.530 101 HE1 TYR 11 HE2 TYR 11 -6.801 -2.843 5.615 102 HE2 TYR 11 HE1 TYR 11 -4.670 0.687 6.735 103 HH TYR 11 HH TYR 11 -4.006 -1.408 7.289 104 H VAL 12 H VAL 12 -9.504 4.057 4.773 105 HA VAL 12 HA VAL 12 -8.086 4.593 7.152 106 HB VAL 12 HB VAL 12 -9.897 6.381 5.476 107 HG11 VAL 12 1HG1 VAL 12 -8.029 7.145 7.745 108 HG12 VAL 12 2HG1 VAL 12 -8.702 8.293 6.562 109 HG13 VAL 12 3HG1 VAL 12 -9.787 7.408 7.646 110 HG21 VAL 12 3HG2 VAL 12 -7.836 7.219 4.533 111 HG22 VAL 12 1HG2 VAL 12 -6.874 6.243 5.664 112 HG23 VAL 12 2HG2 VAL 12 -7.828 5.454 4.399 113 H GLU 13 H GLU 13 -11.679 4.631 6.617 114 HA GLU 13 HA GLU 13 -12.198 5.723 9.200 115 HB2 GLU 13 1HB GLU 13 -13.957 3.878 7.554 116 HB3 GLU 13 2HB GLU 13 -14.470 4.817 8.961 117 HG2 GLU 13 1HG GLU 13 -13.608 5.837 6.257 118 HG3 GLU 13 2HG GLU 13 -15.162 6.063 7.059 119 H GLN 14 H GLN 14 -11.773 2.313 8.214 120 HA GLN 14 HA GLN 14 -12.415 1.292 10.853 121 HB2 GLN 14 1HB GLN 14 -10.807 0.111 8.559 122 HB3 GLN 14 2HB GLN 14 -11.190 -0.749 10.053 123 HG2 GLN 14 1HG GLN 14 -13.161 0.284 7.997 124 HG3 GLN 14 2HG GLN 14 -12.764 -1.406 8.350 125 HE21 GLN 14 2HE2 GLN 14 -12.945 -1.769 10.953 126 HE22 GLN 14 1HE2 GLN 14 -14.496 -1.253 11.587 127 H LEU 15 H LEU 15 -9.444 2.371 9.223 128 HA LEU 15 HA LEU 15 -7.729 1.564 11.401 129 HB2 LEU 15 1HB LEU 15 -7.527 3.109 8.902 130 HB3 LEU 15 2HB LEU 15 -6.416 3.594 10.168 131 HG LEU 15 HG LEU 15 -5.692 1.873 8.370 132 HD11 LEU 15 1HD1 LEU 15 -4.402 2.718 10.267 133 HD12 LEU 15 2HD1 LEU 15 -4.072 1.000 9.942 134 HD13 LEU 15 3HD1 LEU 15 -5.115 1.462 11.309 135 HD21 LEU 15 3HD2 LEU 15 -6.903 -0.050 10.411 136 HD22 LEU 15 1HD2 LEU 15 -5.910 -0.469 9.006 137 HD23 LEU 15 2HD2 LEU 15 -7.526 0.221 8.763 138 H LYS 16 H LYS 16 -9.601 4.525 10.758 139 HA LYS 16 HA LYS 16 -8.388 6.166 12.785 140 HB2 LYS 16 1HB LYS 16 -11.196 5.983 11.652 141 HB3 LYS 16 2HB LYS 16 -10.825 7.074 12.981 142 HG2 LYS 16 1HG LYS 16 -9.286 8.343 11.618 143 HG3 LYS 16 2HG LYS 16 -9.425 7.169 10.291 144 HD2 LYS 16 1HD LYS 16 -11.820 7.654 10.088 145 HD3 LYS 16 2HD LYS 16 -11.729 8.812 11.419 146 HE2 LYS 16 1HE LYS 16 -10.316 10.292 10.107 147 HE3 LYS 16 2HE LYS 16 -10.168 9.074 8.825 148 HZ1 LYS 16 3HZ LYS 16 -11.841 10.738 8.269 149 HZ2 LYS 16 1HZ LYS 16 -12.722 10.358 9.614 150 HZ3 LYS 16 2HZ LYS 16 -12.529 9.245 8.412 151 H GLN 17 H GLN 17 -10.917 3.643 12.877 152 HA GLN 17 HA GLN 17 -11.425 3.931 15.706 153 HB2 GLN 17 1HB GLN 17 -11.754 1.501 13.907 154 HB3 GLN 17 2HB GLN 17 -12.441 1.675 15.515 155 HG2 GLN 17 1HG GLN 17 -14.016 3.274 14.792 156 HG3 GLN 17 2HG GLN 17 -13.120 3.621 13.307 157 HE21 GLN 17 2HE2 GLN 17 -14.470 3.072 11.709 158 HE22 GLN 17 1HE2 GLN 17 -15.203 1.493 11.524 159 H ALA 18 H ALA 18 -9.336 1.730 13.755 160 HA ALA 18 HA ALA 18 -8.427 0.226 15.961 161 HB1 ALA 18 3HB ALA 18 -6.669 -0.573 14.461 162 HB2 ALA 18 1HB ALA 18 -8.202 -0.426 13.568 163 HB3 ALA 18 2HB ALA 18 -6.931 0.806 13.367 164 H LEU 19 H LEU 19 -6.876 3.172 14.515 165 HA LEU 19 HA LEU 19 -4.571 3.065 16.226 166 HB2 LEU 19 1HB LEU 19 -5.935 5.258 14.658 167 HB3 LEU 19 2HB LEU 19 -4.737 5.686 15.868 168 HG LEU 19 HG LEU 19 -3.193 3.988 14.563 169 HD11 LEU 19 1HD1 LEU 19 -5.224 4.791 12.435 170 HD12 LEU 19 2HD1 LEU 19 -4.704 3.159 12.889 171 HD13 LEU 19 3HD1 LEU 19 -3.578 4.256 12.060 172 HD21 LEU 19 3HD2 LEU 19 -3.859 6.795 13.604 173 HD22 LEU 19 1HD2 LEU 19 -2.386 5.894 13.170 174 HD23 LEU 19 2HD2 LEU 19 -2.687 6.346 14.864 175 H LYS 20 H LYS 20 -7.811 4.543 16.635 176 HA LYS 20 HA LYS 20 -7.168 5.788 19.166 177 HB2 LYS 20 1HB LYS 20 -9.793 5.021 17.850 178 HB3 LYS 20 2HB LYS 20 -9.706 5.837 19.413 179 HG2 LYS 20 1HG LYS 20 -8.590 7.757 18.394 180 HG3 LYS 20 2HG LYS 20 -8.595 6.944 16.816 181 HD2 LYS 20 1HD LYS 20 -11.080 6.826 16.908 182 HD3 LYS 20 2HD LYS 20 -11.048 7.709 18.448 183 HE2 LYS 20 1HE LYS 20 -9.945 9.621 17.309 184 HE3 LYS 20 2HE LYS 20 -10.030 8.734 15.769 185 HZ1 LYS 20 3HZ LYS 20 -11.885 10.278 16.015 186 HZ2 LYS 20 1HZ LYS 20 -12.369 9.546 17.411 187 HZ3 LYS 20 2HZ LYS 20 -12.448 8.728 15.981 188 H THR 21 H THR 21 -8.709 2.645 18.352 189 HA THR 21 HA THR 21 -9.395 2.030 21.079 190 HB THR 21 HB THR 21 -9.459 -0.386 20.241 191 HG1 THR 21 HG1 THR 21 -8.960 0.845 17.725 192 HG21 THR 21 1HG2 THR 21 -11.519 0.792 20.096 193 HG22 THR 21 2HG2 THR 21 -11.260 0.053 18.496 194 HG23 THR 21 3HG2 THR 21 -10.950 1.783 18.733 195 H ARG 22 H ARG 22 -6.443 1.608 19.168 196 HA ARG 22 HA ARG 22 -5.152 -0.066 21.158 197 HB2 ARG 22 1HB ARG 22 -4.551 0.164 18.688 198 HB3 ARG 22 2HB ARG 22 -3.847 1.730 19.085 199 HG2 ARG 22 1HG ARG 22 -2.042 0.176 19.026 200 HG3 ARG 22 2HG ARG 22 -2.342 0.493 20.744 201 HD2 ARG 22 1HD ARG 22 -3.728 -1.569 20.840 202 HD3 ARG 22 2HD ARG 22 -3.313 -1.888 19.144 203 HE ARG 22 HE ARG 22 -0.899 -1.549 20.552 204 HH11 ARG 22 1HH1 ARG 22 -3.574 -3.854 20.553 205 HH12 ARG 22 2HH1 ARG 22 -2.560 -5.174 21.097 206 HH21 ARG 22 1HH2 ARG 22 0.325 -3.281 21.231 207 HH22 ARG 22 2HH2 ARG 22 -0.402 -4.864 21.439 208 H GLY 23 H GLY 23 -5.718 3.354 20.771 209 HA2 GLY 23 1HA GLY 23 -5.343 5.082 22.250 210 HA3 GLY 23 2HA GLY 23 -4.704 3.909 23.419 211 H VAL 24 H VAL 24 -3.211 3.580 20.433 212 HA VAL 24 HA VAL 24 -0.726 4.599 21.585 213 HB VAL 24 HB VAL 24 -0.938 2.356 20.415 214 HG11 VAL 24 1HG1 VAL 24 -0.909 2.195 18.017 215 HG12 VAL 24 2HG1 VAL 24 -2.312 3.181 18.472 216 HG13 VAL 24 3HG1 VAL 24 -0.851 3.965 17.835 217 HG21 VAL 24 3HG2 VAL 24 1.183 4.291 19.444 218 HG22 VAL 24 1HG2 VAL 24 1.230 3.274 20.901 219 HG23 VAL 24 2HG2 VAL 24 1.269 2.523 19.293 220 H LYS 25 H LYS 25 0.355 6.382 20.955 221 HA LYS 25 HA LYS 25 -1.289 8.264 19.349 222 HB2 LYS 25 1HB LYS 25 0.930 8.703 21.376 223 HB3 LYS 25 2HB LYS 25 0.034 9.996 20.554 224 HG2 LYS 25 1HG LYS 25 -2.048 9.300 21.592 225 HG3 LYS 25 2HG LYS 25 -1.292 7.842 22.240 226 HD2 LYS 25 1HD LYS 25 0.177 9.230 23.663 227 HD3 LYS 25 2HD LYS 25 -0.653 10.684 23.064 228 HE2 LYS 25 1HE LYS 25 -1.616 10.000 25.218 229 HE3 LYS 25 2HE LYS 25 -2.811 9.795 23.924 230 HZ1 LYS 25 3HZ LYS 25 -2.785 7.872 25.391 231 HZ2 LYS 25 1HZ LYS 25 -1.183 7.608 25.113 232 HZ3 LYS 25 2HZ LYS 25 -2.275 7.408 23.893 233 H VAL 26 H VAL 26 -0.667 7.491 17.327 234 HA VAL 26 HA VAL 26 2.095 8.305 16.503 235 HB VAL 26 HB VAL 26 0.471 5.948 15.383 236 HG11 VAL 26 1HG1 VAL 26 1.996 6.975 13.726 237 HG12 VAL 26 2HG1 VAL 26 3.355 6.822 14.862 238 HG13 VAL 26 3HG1 VAL 26 2.566 5.371 14.194 239 HG21 VAL 26 3HG2 VAL 26 2.879 5.937 17.252 240 HG22 VAL 26 1HG2 VAL 26 1.234 5.369 17.614 241 HG23 VAL 26 2HG2 VAL 26 2.221 4.501 16.428 242 H LYS 27 H LYS 27 2.127 9.557 14.625 243 HA LYS 27 HA LYS 27 -0.289 10.863 13.778 244 HB2 LYS 27 1HB LYS 27 2.133 11.666 13.546 245 HB3 LYS 27 2HB LYS 27 2.290 10.540 12.201 246 HG2 LYS 27 1HG LYS 27 0.561 11.761 10.942 247 HG3 LYS 27 2HG LYS 27 0.317 12.840 12.330 248 HD2 LYS 27 1HD LYS 27 1.766 14.140 11.072 249 HD3 LYS 27 2HD LYS 27 2.924 13.264 12.084 250 HE2 LYS 27 1HE LYS 27 2.661 11.544 9.952 251 HE3 LYS 27 2HE LYS 27 2.442 13.113 9.155 252 HZ1 LYS 27 3HZ LYS 27 4.753 12.261 10.812 253 HZ2 LYS 27 1HZ LYS 27 4.576 13.791 10.195 254 HZ3 LYS 27 2HZ LYS 27 4.756 12.493 9.185 255 H PHE 28 H PHE 28 -1.703 10.318 12.085 256 HA PHE 28 HA PHE 28 -2.030 7.590 11.514 257 HB2 PHE 28 1HB PHE 28 -3.650 9.594 11.298 258 HB3 PHE 28 2HB PHE 28 -2.995 9.794 9.669 259 HD1 PHE 28 HD2 PHE 28 -4.945 7.642 11.931 260 HD2 PHE 28 HD1 PHE 28 -3.511 8.151 7.907 261 HE1 PHE 28 HE2 PHE 28 -6.460 5.835 11.161 262 HE2 PHE 28 HE1 PHE 28 -5.049 6.342 7.147 263 HZ PHE 28 HZ PHE 28 -6.497 5.191 8.816 264 H ALA 29 H ALA 29 -0.570 10.048 9.332 265 HA ALA 29 HA ALA 29 -0.081 8.244 7.203 266 HB1 ALA 29 3HB ALA 29 0.063 10.719 7.016 267 HB2 ALA 29 1HB ALA 29 1.531 10.694 8.030 268 HB3 ALA 29 2HB ALA 29 1.540 9.916 6.433 269 H ASP 30 H ASP 30 1.762 8.914 10.167 270 HA ASP 30 HA ASP 30 4.125 7.510 9.248 271 HB2 ASP 30 1HB ASP 30 3.259 8.440 12.002 272 HB3 ASP 30 2HB ASP 30 4.828 7.708 11.643 273 H LEU 31 H LEU 31 1.163 6.626 10.995 274 HA LEU 31 HA LEU 31 2.182 4.064 11.881 275 HB2 LEU 31 1HB LEU 31 0.147 5.147 12.818 276 HB3 LEU 31 2HB LEU 31 -0.672 4.936 11.282 277 HG LEU 31 HG LEU 31 -1.170 3.351 13.283 278 HD11 LEU 31 1HD1 LEU 31 -2.091 3.132 11.005 279 HD12 LEU 31 2HD1 LEU 31 -1.809 1.569 11.787 280 HD13 LEU 31 3HD1 LEU 31 -0.685 2.154 10.542 281 HD21 LEU 31 3HD2 LEU 31 1.204 1.855 12.112 282 HD22 LEU 31 1HD2 LEU 31 0.087 1.285 13.365 283 HD23 LEU 31 2HD2 LEU 31 1.168 2.643 13.709 284 H LEU 32 H LEU 32 0.197 5.178 9.121 285 HA LEU 32 HA LEU 32 0.220 2.645 7.780 286 HB2 LEU 32 1HB LEU 32 -0.306 5.476 6.927 287 HB3 LEU 32 2HB LEU 32 -0.085 4.244 5.697 288 HG LEU 32 HG LEU 32 -2.424 4.566 6.080 289 HD11 LEU 32 1HD1 LEU 32 -1.733 1.931 7.411 290 HD12 LEU 32 2HD1 LEU 32 -1.624 2.223 5.660 291 HD13 LEU 32 3HD1 LEU 32 -3.189 2.344 6.480 292 HD21 LEU 32 3HD2 LEU 32 -1.911 3.844 8.954 293 HD22 LEU 32 1HD2 LEU 32 -3.493 4.164 8.185 294 HD23 LEU 32 2HD2 LEU 32 -2.290 5.460 8.321 295 H LYS 33 H LYS 33 2.701 5.054 8.028 296 HA LYS 33 HA LYS 33 4.183 4.324 5.672 297 HB2 LYS 33 1HB LYS 33 4.817 6.283 6.967 298 HB3 LYS 33 2HB LYS 33 5.192 5.281 8.372 299 HG2 LYS 33 1HG LYS 33 7.056 4.279 7.333 300 HG3 LYS 33 2HG LYS 33 6.606 4.926 5.739 301 HD2 LYS 33 1HD LYS 33 7.070 7.207 6.512 302 HD3 LYS 33 2HD LYS 33 7.461 6.592 8.133 303 HE2 LYS 33 1HE LYS 33 9.526 6.992 6.866 304 HE3 LYS 33 2HE LYS 33 9.324 5.261 7.188 305 HZ1 LYS 33 3HZ LYS 33 10.014 5.654 4.905 306 HZ2 LYS 33 1HZ LYS 33 8.696 6.604 4.613 307 HZ3 LYS 33 2HZ LYS 33 8.502 4.995 4.917 308 H PHE 34 H PHE 34 3.922 2.772 8.881 309 HA PHE 34 HA PHE 34 6.015 0.846 8.202 310 HB2 PHE 34 1HB PHE 34 4.029 1.086 10.453 311 HB3 PHE 34 2HB PHE 34 5.042 -0.346 10.252 312 HD1 PHE 34 HD1 PHE 34 5.137 3.325 10.817 313 HD2 PHE 34 HD2 PHE 34 7.379 -0.334 10.783 314 HE1 PHE 34 HE1 PHE 34 7.029 4.498 11.913 315 HE2 PHE 34 HE2 PHE 34 9.297 0.830 11.865 316 HZ PHE 34 HZ PHE 34 9.122 3.254 12.435 317 H PHE 35 H PHE 35 2.571 1.097 7.660 318 HA PHE 35 HA PHE 35 2.206 -1.723 6.950 319 HB2 PHE 35 1HB PHE 35 0.600 0.807 6.435 320 HB3 PHE 35 2HB PHE 35 0.159 -0.743 5.731 321 HD1 PHE 35 HD1 PHE 35 1.299 0.218 9.238 322 HD2 PHE 35 HD2 PHE 35 -1.741 -1.547 6.750 323 HE1 PHE 35 HE1 PHE 35 0.004 -0.389 11.258 324 HE2 PHE 35 HE2 PHE 35 -3.048 -2.149 8.791 325 HZ PHE 35 HZ PHE 35 -2.175 -1.571 11.042 326 H ASP 36 H ASP 36 3.558 1.141 5.515 327 HA ASP 36 HA ASP 36 3.412 0.133 2.759 328 HB2 ASP 36 1HB ASP 36 3.568 2.630 3.826 329 HB3 ASP 36 2HB ASP 36 5.286 2.327 3.534 330 H PHE 37 H PHE 37 5.690 0.323 5.440 331 HA PHE 37 HA PHE 37 8.075 -0.268 4.058 332 HB2 PHE 37 1HB PHE 37 7.838 0.596 6.387 333 HB3 PHE 37 2HB PHE 37 7.317 -1.010 6.907 334 HD1 PHE 37 HD2 PHE 37 10.164 0.775 5.235 335 HD2 PHE 37 HD1 PHE 37 8.912 -2.607 7.579 336 HE1 PHE 37 HE2 PHE 37 12.546 0.128 5.566 337 HE2 PHE 37 HE1 PHE 37 11.292 -3.261 7.913 338 HZ PHE 37 HZ PHE 37 13.109 -1.884 6.901 339 H VAL 38 H VAL 38 5.608 -2.498 5.352 340 HA VAL 38 HA VAL 38 7.185 -4.867 5.028 341 HB VAL 38 HB VAL 38 5.344 -5.409 6.288 342 HG11 VAL 38 1HG1 VAL 38 3.623 -3.632 4.554 343 HG12 VAL 38 2HG1 VAL 38 3.063 -4.562 5.955 344 HG13 VAL 38 3HG1 VAL 38 4.236 -3.274 6.190 345 HG21 VAL 38 3HG2 VAL 38 5.316 -6.973 4.311 346 HG22 VAL 38 1HG2 VAL 38 3.735 -6.786 5.086 347 HG23 VAL 38 2HG2 VAL 38 4.071 -5.945 3.561 348 H LYS 39 H LYS 39 5.246 -2.964 2.737 349 HA LYS 39 HA LYS 39 5.211 -4.928 0.646 350 HB2 LYS 39 1HB LYS 39 3.825 -2.813 0.794 351 HB3 LYS 39 2HB LYS 39 5.269 -1.904 0.343 352 HG2 LYS 39 1HG LYS 39 5.378 -3.157 -1.790 353 HG3 LYS 39 2HG LYS 39 3.901 -4.022 -1.328 354 HD2 LYS 39 1HD LYS 39 2.713 -1.858 -1.179 355 HD3 LYS 39 2HD LYS 39 4.181 -1.025 -1.713 356 HE2 LYS 39 1HE LYS 39 4.122 -2.288 -3.836 357 HE3 LYS 39 2HE LYS 39 2.661 -3.141 -3.293 358 HZ1 LYS 39 3HZ LYS 39 1.511 -1.010 -3.214 359 HZ2 LYS 39 1HZ LYS 39 2.122 -1.259 -4.725 360 HZ3 LYS 39 2HZ LYS 39 2.868 -0.206 -3.697 361 H ASP 40 H ASP 40 7.577 -2.469 1.609 362 HA ASP 40 HA ASP 40 9.215 -2.657 -0.739 363 HB2 ASP 40 1HB ASP 40 9.226 -0.787 0.937 364 HB3 ASP 40 2HB ASP 40 10.001 -1.875 2.096 365 H THR 41 H THR 41 9.631 -4.072 2.560 366 HA THR 41 HA THR 41 11.939 -5.594 1.731 367 HB THR 41 HB THR 41 10.256 -6.343 4.125 368 HG1 THR 41 HG1 THR 41 11.759 -3.965 3.716 369 HG21 THR 41 1HG2 THR 41 13.236 -6.012 3.630 370 HG22 THR 41 2HG2 THR 41 12.353 -7.553 3.705 371 HG23 THR 41 3HG2 THR 41 12.497 -6.541 5.154 372 H CYS 42 H CYS 42 8.490 -6.258 1.804 373 HA CYS 42 HA CYS 42 9.049 -9.044 0.849 374 HB2 CYS 42 1HB CYS 42 6.640 -8.017 2.383 375 HB3 CYS 42 2HB CYS 42 6.886 -9.670 1.812 376 HG CYS 42 HG CYS 42 8.812 -7.982 3.864 377 HA PRO 43 HA PRO 43 6.894 -6.570 -2.408 378 HB2 PRO 43 1HB PRO 43 8.229 -7.533 -4.582 379 HB3 PRO 43 2HB PRO 43 8.926 -6.265 -3.519 380 HG2 PRO 43 1HG PRO 43 9.401 -9.242 -3.463 381 HG3 PRO 43 2HG PRO 43 10.602 -7.910 -3.500 382 HD2 PRO 43 1HD PRO 43 9.874 -9.118 -1.186 383 HD3 PRO 43 2HD PRO 43 10.220 -7.348 -1.258 384 H TRP 44 H TRP 44 7.364 -9.913 -1.780 385 HA TRP 44 HA TRP 44 5.402 -10.841 -3.752 386 HB2 TRP 44 1HB TRP 44 5.802 -12.994 -2.312 387 HB3 TRP 44 2HB TRP 44 7.037 -12.428 -3.449 388 HD1 TRP 44 HD1 TRP 44 6.262 -11.859 0.313 389 HE1 TRP 44 HE1 TRP 44 8.434 -11.726 1.646 390 HE3 TRP 44 HE3 TRP 44 9.485 -12.326 -3.609 391 HZ2 TRP 44 HZ2 TRP 44 11.224 -11.764 1.067 392 HZ3 TRP 44 HZ3 TRP 44 11.947 -12.257 -3.155 393 HH2 TRP 44 HH2 TRP 44 12.794 -11.964 -0.827 394 H PHE 45 H PHE 45 5.377 -9.645 -0.470 395 HA PHE 45 HA PHE 45 3.171 -11.185 0.477 396 HB2 PHE 45 1HB PHE 45 4.708 -9.836 1.887 397 HB3 PHE 45 2HB PHE 45 3.934 -8.363 1.292 398 HD1 PHE 45 HD1 PHE 45 3.485 -11.432 3.326 399 HD2 PHE 45 HD2 PHE 45 1.734 -7.701 2.095 400 HE1 PHE 45 HE1 PHE 45 1.784 -11.642 5.125 401 HE2 PHE 45 HE2 PHE 45 0.009 -7.922 3.874 402 HZ PHE 45 HZ PHE 45 0.031 -9.890 5.401 403 HA PRO 46 HA PRO 46 0.201 -7.913 -0.938 404 HB2 PRO 46 1HB PRO 46 0.690 -6.295 -3.075 405 HB3 PRO 46 2HB PRO 46 1.118 -5.813 -1.401 406 HG2 PRO 46 1HG PRO 46 2.864 -7.090 -3.494 407 HG3 PRO 46 2HG PRO 46 3.150 -5.592 -2.558 408 HD2 PRO 46 1HD PRO 46 4.217 -7.911 -1.766 409 HD3 PRO 46 2HD PRO 46 3.531 -6.778 -0.557 410 H GLN 47 H GLN 47 2.396 -9.516 -3.168 411 HA GLN 47 HA GLN 47 0.428 -9.930 -5.259 412 HB2 GLN 47 1HB GLN 47 3.102 -11.250 -4.693 413 HB3 GLN 47 2HB GLN 47 2.128 -11.526 -6.137 414 HG2 GLN 47 1HG GLN 47 2.266 -9.078 -6.646 415 HG3 GLN 47 2HG GLN 47 3.359 -8.891 -5.267 416 HE21 GLN 47 2HE2 GLN 47 5.475 -9.292 -5.518 417 HE22 GLN 47 1HE2 GLN 47 6.181 -9.953 -6.985 418 H GLU 48 H GLU 48 1.349 -11.620 -2.294 419 HA GLU 48 HA GLU 48 0.019 -14.109 -2.956 420 HB2 GLU 48 1HB GLU 48 0.719 -12.777 -0.313 421 HB3 GLU 48 2HB GLU 48 -0.101 -14.337 -0.421 422 HG2 GLU 48 1HG GLU 48 1.829 -15.183 -1.786 423 HG3 GLU 48 2HG GLU 48 2.686 -13.684 -1.400 424 H GLY 49 H GLY 49 -1.001 -10.940 -1.875 425 HA2 GLY 49 1HA GLY 49 -3.089 -10.035 -1.607 426 HA3 GLY 49 2HA GLY 49 -3.667 -11.344 -2.638 427 H THR 50 H THR 50 -2.177 -12.184 0.410 428 HA THR 50 HA THR 50 -4.898 -12.791 1.498 429 HB THR 50 HB THR 50 -2.436 -14.581 1.652 430 HG1 THR 50 HG1 THR 50 -3.452 -14.402 -0.476 431 HG21 THR 50 1HG2 THR 50 -4.203 -16.271 2.346 432 HG22 THR 50 2HG2 THR 50 -5.334 -14.914 2.517 433 HG23 THR 50 3HG2 THR 50 -3.873 -14.992 3.534 434 H ILE 51 H ILE 51 -5.218 -12.129 3.549 435 HA ILE 51 HA ILE 51 -2.757 -11.336 5.074 436 HB ILE 51 HB ILE 51 -5.561 -10.269 5.452 437 HG12 ILE 51 1HG1 ILE 51 -4.721 -9.550 3.287 438 HG13 ILE 51 2HG1 ILE 51 -4.844 -8.266 4.452 439 HG21 ILE 51 1HG2 ILE 51 -4.355 -8.507 6.813 440 HG22 ILE 51 2HG2 ILE 51 -4.213 -10.130 7.510 441 HG23 ILE 51 3HG2 ILE 51 -2.844 -9.427 6.620 442 HD11 ILE 51 3HD1 ILE 51 -2.235 -9.556 3.730 443 HD12 ILE 51 1HD1 ILE 51 -2.894 -8.097 2.960 444 HD13 ILE 51 2HD1 ILE 51 -2.502 -8.075 4.694 445 H ASP 52 H ASP 52 -2.285 -12.735 6.443 446 HA ASP 52 HA ASP 52 -4.184 -13.477 8.533 447 HB2 ASP 52 1HB ASP 52 -4.556 -15.315 6.875 448 HB3 ASP 52 2HB ASP 52 -2.822 -15.682 6.962 449 H ILE 53 H ILE 53 -3.038 -14.623 10.287 450 HA ILE 53 HA ILE 53 -0.574 -13.288 10.780 451 HB ILE 53 HB ILE 53 -2.241 -13.920 12.487 452 HG12 ILE 53 1HG1 ILE 53 -0.585 -14.766 14.174 453 HG13 ILE 53 2HG1 ILE 53 0.548 -15.051 12.878 454 HG21 ILE 53 1HG2 ILE 53 -2.811 -16.214 11.633 455 HG22 ILE 53 2HG2 ILE 53 -1.227 -16.786 12.210 456 HG23 ILE 53 3HG2 ILE 53 -2.432 -16.184 13.364 457 HD11 ILE 53 3HD1 ILE 53 0.833 -12.912 14.230 458 HD12 ILE 53 1HD1 ILE 53 0.833 -12.737 12.465 459 HD13 ILE 53 2HD1 ILE 53 -0.619 -12.316 13.401 460 H LYS 54 H LYS 54 -1.346 -16.540 9.557 461 HA LYS 54 HA LYS 54 1.330 -17.582 9.947 462 HB2 LYS 54 1HB LYS 54 -0.840 -18.310 7.929 463 HB3 LYS 54 2HB LYS 54 0.600 -19.285 8.249 464 HG2 LYS 54 1HG LYS 54 -0.154 -19.855 10.458 465 HG3 LYS 54 2HG LYS 54 -1.368 -18.571 10.453 466 HD2 LYS 54 1HD LYS 54 -2.655 -20.485 10.101 467 HD3 LYS 54 2HD LYS 54 -2.466 -19.806 8.480 468 HE2 LYS 54 1HE LYS 54 -2.117 -22.137 8.239 469 HE3 LYS 54 2HE LYS 54 -0.494 -21.420 8.182 470 HZ1 LYS 54 3HZ LYS 54 -0.574 -23.357 9.636 471 HZ2 LYS 54 1HZ LYS 54 -1.749 -22.670 10.566 472 HZ3 LYS 54 2HZ LYS 54 -0.238 -22.010 10.528 473 H ARG 55 H ARG 55 -0.189 -15.574 7.489 474 HA ARG 55 HA ARG 55 2.066 -15.737 5.617 475 HB2 ARG 55 1HB ARG 55 -0.596 -14.704 5.606 476 HB3 ARG 55 2HB ARG 55 0.468 -13.312 5.420 477 HG2 ARG 55 1HG ARG 55 0.340 -13.828 3.232 478 HG3 ARG 55 2HG ARG 55 1.610 -14.996 3.638 479 HD2 ARG 55 1HD ARG 55 -0.243 -16.682 4.089 480 HD3 ARG 55 2HD ARG 55 -1.375 -15.498 3.397 481 HE ARG 55 HE ARG 55 0.909 -15.993 1.672 482 HH11 ARG 55 1HH1 ARG 55 -2.274 -17.302 2.509 483 HH12 ARG 55 2HH1 ARG 55 -2.419 -18.129 0.983 484 HH21 ARG 55 1HH2 ARG 55 0.670 -17.077 -0.185 485 HH22 ARG 55 2HH2 ARG 55 -0.788 -17.992 -0.532 486 H TRP 56 H TRP 56 0.841 -13.530 8.120 487 HA TRP 56 HA TRP 56 2.725 -11.461 7.810 488 HB2 TRP 56 1HB TRP 56 0.554 -11.490 9.092 489 HB3 TRP 56 2HB TRP 56 1.402 -12.342 10.385 490 HD1 TRP 56 HD1 TRP 56 2.185 -10.756 12.230 491 HE1 TRP 56 HE1 TRP 56 2.861 -8.311 12.487 492 HE3 TRP 56 HE3 TRP 56 1.769 -9.420 7.320 493 HZ2 TRP 56 HZ2 TRP 56 3.213 -6.070 10.764 494 HZ3 TRP 56 HZ3 TRP 56 2.329 -7.082 6.670 495 HH2 TRP 56 HH2 TRP 56 3.062 -5.425 8.385 496 H ARG 57 H ARG 57 3.109 -14.553 9.499 497 HA ARG 57 HA ARG 57 5.296 -13.912 11.187 498 HB2 ARG 57 1HB ARG 57 5.211 -16.446 9.509 499 HB3 ARG 57 2HB ARG 57 6.038 -16.203 11.042 500 HG2 ARG 57 1HG ARG 57 3.082 -16.492 10.544 501 HG3 ARG 57 2HG ARG 57 4.137 -17.601 11.399 502 HD2 ARG 57 1HD ARG 57 4.167 -14.963 12.624 503 HD3 ARG 57 2HD ARG 57 2.536 -15.587 12.479 504 HE ARG 57 HE ARG 57 4.615 -17.357 13.627 505 HH11 ARG 57 1HH1 ARG 57 1.757 -15.359 14.252 506 HH12 ARG 57 2HH1 ARG 57 1.493 -16.055 15.826 507 HH21 ARG 57 1HH2 ARG 57 4.214 -18.194 15.648 508 HH22 ARG 57 2HH2 ARG 57 2.856 -17.633 16.589 509 H ARG 58 H ARG 58 5.311 -14.871 7.779 510 HA ARG 58 HA ARG 58 8.113 -14.861 7.393 511 HB2 ARG 58 1HB ARG 58 5.806 -14.386 5.486 512 HB3 ARG 58 2HB ARG 58 7.490 -14.458 4.957 513 HG2 ARG 58 1HG ARG 58 7.712 -16.718 5.807 514 HG3 ARG 58 2HG ARG 58 6.043 -16.685 6.413 515 HD2 ARG 58 1HD ARG 58 5.162 -16.484 4.171 516 HD3 ARG 58 2HD ARG 58 6.783 -16.232 3.508 517 HE ARG 58 HE ARG 58 7.217 -18.499 3.605 518 HH11 ARG 58 1HH1 ARG 58 4.196 -17.894 5.336 519 HH12 ARG 58 2HH1 ARG 58 3.798 -19.588 5.414 520 HH21 ARG 58 1HH2 ARG 58 6.646 -20.630 3.748 521 HH22 ARG 58 2HH2 ARG 58 5.166 -21.112 4.526 522 H VAL 59 H VAL 59 5.893 -12.138 7.476 523 HA VAL 59 HA VAL 59 7.607 -10.323 6.051 524 HB VAL 59 HB VAL 59 5.496 -9.768 8.180 525 HG11 VAL 59 1HG1 VAL 59 6.961 -7.851 7.857 526 HG12 VAL 59 2HG1 VAL 59 6.732 -7.942 6.099 527 HG13 VAL 59 3HG1 VAL 59 5.363 -7.536 7.165 528 HG21 VAL 59 3HG2 VAL 59 5.347 -9.954 5.163 529 HG22 VAL 59 1HG2 VAL 59 4.538 -10.997 6.357 530 HG23 VAL 59 2HG2 VAL 59 4.056 -9.300 6.196 531 H GLY 60 H GLY 60 7.235 -11.261 9.460 532 HA2 GLY 60 1HA GLY 60 9.129 -9.265 10.360 533 HA3 GLY 60 2HA GLY 60 8.446 -10.608 11.301 534 H ASP 61 H ASP 61 9.215 -12.677 9.454 535 HA ASP 61 HA ASP 61 11.889 -13.225 10.300 536 HB2 ASP 61 1HB ASP 61 10.351 -14.343 7.911 537 HB3 ASP 61 2HB ASP 61 11.792 -15.065 8.639 538 H CYS 62 H CYS 62 10.456 -11.884 7.325 539 HA CYS 62 HA CYS 62 12.840 -11.629 5.800 540 HB2 CYS 62 1HB CYS 62 10.217 -11.214 5.328 541 HB3 CYS 62 2HB CYS 62 10.707 -9.546 5.576 542 HG CYS 62 HG CYS 62 10.649 -9.759 3.096 543 H PHE 63 H PHE 63 11.231 -9.337 8.064 544 HA PHE 63 HA PHE 63 13.010 -7.155 7.564 545 HB2 PHE 63 1HB PHE 63 11.599 -7.943 10.140 546 HB3 PHE 63 2HB PHE 63 12.430 -6.416 9.888 547 HD1 PHE 63 HD1 PHE 63 11.406 -6.093 6.891 548 HD2 PHE 63 HD2 PHE 63 9.483 -6.891 10.656 549 HE1 PHE 63 HE1 PHE 63 9.332 -5.027 6.047 550 HE2 PHE 63 HE2 PHE 63 7.402 -5.811 9.817 551 HZ PHE 63 HZ PHE 63 7.325 -4.876 7.512 552 H GLN 64 H GLN 64 13.273 -10.040 9.628 553 HA GLN 64 HA GLN 64 15.536 -9.060 11.097 554 HB2 GLN 64 1HB GLN 64 13.950 -11.038 11.625 555 HB3 GLN 64 2HB GLN 64 14.979 -11.980 10.540 556 HG2 GLN 64 1HG GLN 64 15.806 -12.378 12.715 557 HG3 GLN 64 2HG GLN 64 16.949 -11.239 11.988 558 HE21 GLN 64 2HE2 GLN 64 14.304 -11.624 14.271 559 HE22 GLN 64 1HE2 GLN 64 14.610 -10.149 15.157 560 H ASP 65 H ASP 65 15.256 -11.173 8.190 561 HA ASP 65 HA ASP 65 18.102 -11.512 7.951 562 HB2 ASP 65 1HB ASP 65 15.803 -11.785 5.995 563 HB3 ASP 65 2HB ASP 65 17.487 -12.068 5.525 564 H TYR 66 H TYR 66 15.813 -9.119 6.628 565 HA TYR 66 HA TYR 66 17.743 -7.829 4.935 566 HB2 TYR 66 1HB TYR 66 15.120 -7.682 5.129 567 HB3 TYR 66 2HB TYR 66 15.464 -6.341 6.215 568 HD1 TYR 66 HD2 TYR 66 16.002 -7.658 2.751 569 HD2 TYR 66 HD1 TYR 66 16.042 -4.176 5.271 570 HE1 TYR 66 HE2 TYR 66 16.200 -6.192 0.741 571 HE2 TYR 66 HE1 TYR 66 16.219 -2.722 3.258 572 HH TYR 66 HH TYR 66 16.102 -2.655 0.951 573 H PHE 67 H PHE 67 16.781 -7.405 8.358 574 HA PHE 67 HA PHE 67 18.440 -5.093 8.859 575 HB2 PHE 67 1HB PHE 67 16.607 -5.809 10.350 576 HB3 PHE 67 2HB PHE 67 17.468 -7.306 10.710 577 HD1 PHE 67 HD2 PHE 67 17.398 -3.653 11.280 578 HD2 PHE 67 HD1 PHE 67 19.348 -7.366 12.237 579 HE1 PHE 67 HE2 PHE 67 18.520 -2.555 13.200 580 HE2 PHE 67 HE1 PHE 67 20.505 -6.267 14.148 581 HZ PHE 67 HZ PHE 67 20.093 -3.853 14.636 582 H ASN 68 H ASN 68 19.027 -8.636 9.060 583 HA ASN 68 HA ASN 68 21.643 -8.366 10.226 584 HB2 ASN 68 1HB ASN 68 20.373 -10.569 8.550 585 HB3 ASN 68 2HB ASN 68 21.981 -10.698 9.273 586 HD21 ASN 68 2HD2 ASN 68 19.429 -12.200 9.721 587 HD22 ASN 68 1HD2 ASN 68 19.196 -12.112 11.448 588 H THR 69 H THR 69 20.458 -8.324 6.888 589 HA THR 69 HA THR 69 23.141 -8.525 5.769 590 HB THR 69 HB THR 69 20.539 -7.715 4.383 591 HG1 THR 69 HG1 THR 69 20.250 -9.724 5.332 592 HG21 THR 69 1HG2 THR 69 22.532 -7.298 3.009 593 HG22 THR 69 2HG2 THR 69 21.648 -8.710 2.394 594 HG23 THR 69 3HG2 THR 69 23.129 -8.941 3.350 595 H PHE 70 H PHE 70 20.761 -5.871 6.223 596 HA PHE 70 HA PHE 70 22.817 -4.016 5.091 597 HB2 PHE 70 1HB PHE 70 19.808 -3.763 5.149 598 HB3 PHE 70 2HB PHE 70 20.946 -2.635 4.405 599 HD1 PHE 70 HD1 PHE 70 22.538 -3.610 2.573 600 HD2 PHE 70 HD2 PHE 70 18.879 -5.478 3.849 601 HE1 PHE 70 HE1 PHE 70 22.447 -4.881 0.434 602 HE2 PHE 70 HE2 PHE 70 18.783 -6.759 1.719 603 HZ PHE 70 HZ PHE 70 20.563 -6.459 0.002 604 H GLY 71 H GLY 71 21.642 -4.815 8.084 605 HA2 GLY 71 1HA GLY 71 22.102 -3.739 10.057 606 HA3 GLY 71 2HA GLY 71 22.737 -2.370 9.146 607 HA PRO 72 HA PRO 72 18.791 -1.196 11.331 608 HB2 PRO 72 1HB PRO 72 19.783 0.904 12.765 609 HB3 PRO 72 2HB PRO 72 19.913 -0.792 13.332 610 HG2 PRO 72 1HG PRO 72 21.940 0.852 11.847 611 HG3 PRO 72 2HG PRO 72 22.138 -0.076 13.367 612 HD2 PRO 72 1HD PRO 72 22.876 -1.114 11.000 613 HD3 PRO 72 2HD PRO 72 22.080 -2.143 12.244 614 H GLU 73 H GLU 73 21.118 0.297 9.297 615 HA GLU 73 HA GLU 73 19.804 2.820 8.870 616 HB2 GLU 73 1HB GLU 73 21.651 1.287 7.000 617 HB3 GLU 73 2HB GLU 73 21.319 3.024 6.982 618 HG2 GLU 73 1HG GLU 73 22.823 1.450 9.103 619 HG3 GLU 73 2HG GLU 73 23.493 2.637 7.974 620 H LYS 74 H LYS 74 19.101 -0.401 7.907 621 HA LYS 74 HA LYS 74 17.361 0.622 5.691 622 HB2 LYS 74 1HB LYS 74 19.042 -1.775 5.977 623 HB3 LYS 74 2HB LYS 74 17.407 -2.096 5.386 624 HG2 LYS 74 1HG LYS 74 18.800 -1.752 3.468 625 HG3 LYS 74 2HG LYS 74 17.742 -0.343 3.631 626 HD2 LYS 74 1HD LYS 74 19.610 0.920 4.702 627 HD3 LYS 74 2HD LYS 74 20.656 -0.496 4.533 628 HE2 LYS 74 1HE LYS 74 21.151 1.001 2.732 629 HE3 LYS 74 2HE LYS 74 20.265 -0.381 2.045 630 HZ1 LYS 74 3HZ LYS 74 19.410 1.748 1.239 631 HZ2 LYS 74 1HZ LYS 74 19.062 2.231 2.779 632 HZ3 LYS 74 2HZ LYS 74 18.253 0.960 2.112 633 H VAL 75 H VAL 75 17.426 -1.610 8.526 634 HA VAL 75 HA VAL 75 14.439 -1.256 8.499 635 HB VAL 75 HB VAL 75 16.046 -3.557 9.725 636 HG11 VAL 75 1HG1 VAL 75 13.983 -3.141 10.954 637 HG12 VAL 75 2HG1 VAL 75 13.044 -3.162 9.442 638 HG13 VAL 75 3HG1 VAL 75 13.838 -4.642 10.030 639 HG21 VAL 75 3HG2 VAL 75 14.981 -4.980 7.984 640 HG22 VAL 75 1HG2 VAL 75 14.402 -3.503 7.183 641 HG23 VAL 75 2HG2 VAL 75 16.147 -3.810 7.350 642 HA PRO 76 HA PRO 76 15.761 0.537 12.376 643 HB2 PRO 76 1HB PRO 76 13.417 1.523 13.321 644 HB3 PRO 76 2HB PRO 76 14.269 2.289 11.955 645 HG2 PRO 76 1HG PRO 76 11.940 0.420 11.909 646 HG3 PRO 76 2HG PRO 76 12.182 1.938 11.004 647 HD2 PRO 76 1HD PRO 76 12.643 -0.567 9.944 648 HD3 PRO 76 2HD PRO 76 13.515 0.910 9.411 649 H VAL 77 H VAL 77 15.636 -0.162 14.619 650 HA VAL 77 HA VAL 77 14.683 -2.827 14.987 651 HB VAL 77 HB VAL 77 15.173 -2.473 17.396 652 HG11 VAL 77 1HG1 VAL 77 17.335 -1.345 15.557 653 HG12 VAL 77 2HG1 VAL 77 17.582 -2.111 17.143 654 HG13 VAL 77 3HG1 VAL 77 16.973 -3.072 15.780 655 HG21 VAL 77 3HG2 VAL 77 16.110 -0.328 18.182 656 HG22 VAL 77 1HG2 VAL 77 15.815 0.411 16.597 657 HG23 VAL 77 2HG2 VAL 77 14.446 -0.106 17.614 658 H THR 78 H THR 78 13.052 0.237 15.178 659 HA THR 78 HA THR 78 10.907 -0.740 16.869 660 HB THR 78 HB THR 78 11.549 1.724 16.464 661 HG1 THR 78 HG1 THR 78 9.409 2.308 16.900 662 HG21 THR 78 1HG2 THR 78 9.571 1.481 14.212 663 HG22 THR 78 2HG2 THR 78 11.325 1.596 13.957 664 HG23 THR 78 3HG2 THR 78 10.456 2.925 14.742 665 H ALA 79 H ALA 79 11.699 -1.162 13.488 666 HA ALA 79 HA ALA 79 9.002 -1.389 12.529 667 HB1 ALA 79 3HB ALA 79 10.031 -2.795 10.739 668 HB2 ALA 79 1HB ALA 79 10.830 -1.230 10.980 669 HB3 ALA 79 2HB ALA 79 11.574 -2.711 11.622 670 H PHE 80 H PHE 80 11.190 -3.649 14.200 671 HA PHE 80 HA PHE 80 9.469 -5.938 13.914 672 HB2 PHE 80 1HB PHE 80 11.516 -5.268 16.063 673 HB3 PHE 80 2HB PHE 80 10.806 -6.861 15.774 674 HD1 PHE 80 HD1 PHE 80 11.367 -8.137 13.711 675 HD2 PHE 80 HD2 PHE 80 13.295 -4.412 14.661 676 HE1 PHE 80 HE1 PHE 80 13.170 -8.659 12.092 677 HE2 PHE 80 HE2 PHE 80 15.096 -4.912 13.019 678 HZ PHE 80 HZ PHE 80 15.036 -7.041 11.729 679 H SER 81 H SER 81 9.593 -3.220 16.152 680 HA SER 81 HA SER 81 7.819 -4.397 18.132 681 HB2 SER 81 1HB SER 81 9.416 -2.560 18.656 682 HB3 SER 81 2HB SER 81 8.486 -1.470 17.607 683 HG SER 81 HG SER 81 7.926 -1.335 19.854 684 H TYR 82 H TYR 82 7.460 -2.058 15.437 685 HA TYR 82 HA TYR 82 4.625 -1.707 15.675 686 HB2 TYR 82 1HB TYR 82 6.659 -1.426 13.461 687 HB3 TYR 82 2HB TYR 82 4.933 -1.444 13.046 688 HD1 TYR 82 HD1 TYR 82 7.516 0.480 14.985 689 HD2 TYR 82 HD2 TYR 82 3.510 0.332 13.427 690 HE1 TYR 82 HE1 TYR 82 7.250 2.905 15.464 691 HE2 TYR 82 HE2 TYR 82 3.263 2.797 13.896 692 HH TYR 82 HH TYR 82 4.285 4.700 14.656 693 H TRP 83 H TRP 83 6.662 -4.025 13.848 694 HA TRP 83 HA TRP 83 4.575 -5.308 12.503 695 HB2 TRP 83 1HB TRP 83 6.950 -5.692 12.002 696 HB3 TRP 83 2HB TRP 83 7.208 -6.382 13.596 697 HD1 TRP 83 HD1 TRP 83 5.689 -7.315 10.205 698 HE1 TRP 83 HE1 TRP 83 5.310 -9.830 10.076 699 HE3 TRP 83 HE3 TRP 83 6.887 -8.453 15.042 700 HZ2 TRP 83 HZ2 TRP 83 5.509 -12.046 11.837 701 HZ3 TRP 83 HZ3 TRP 83 6.790 -10.844 15.771 702 HH2 TRP 83 HH2 TRP 83 6.101 -12.626 14.163 703 H ASN 84 H ASN 84 5.825 -5.822 15.781 704 HA ASN 84 HA ASN 84 4.345 -8.235 16.318 705 HB2 ASN 84 1HB ASN 84 5.922 -6.263 17.897 706 HB3 ASN 84 2HB ASN 84 4.696 -7.174 18.787 707 HD21 ASN 84 2HD2 ASN 84 7.803 -7.254 17.362 708 HD22 ASN 84 1HD2 ASN 84 8.152 -8.931 17.722 709 H LEU 85 H LEU 85 3.636 -4.787 16.640 710 HA LEU 85 HA LEU 85 1.266 -5.041 18.229 711 HB2 LEU 85 1HB LEU 85 2.645 -2.980 17.733 712 HB3 LEU 85 2HB LEU 85 1.930 -2.937 16.137 713 HG LEU 85 HG LEU 85 0.323 -2.653 18.680 714 HD11 LEU 85 1HD1 LEU 85 2.050 -0.903 18.542 715 HD12 LEU 85 2HD1 LEU 85 0.441 -0.213 18.240 716 HD13 LEU 85 3HD1 LEU 85 1.549 -0.518 16.879 717 HD21 LEU 85 3HD2 LEU 85 -1.279 -1.462 17.140 718 HD22 LEU 85 1HD2 LEU 85 -1.116 -3.194 16.811 719 HD23 LEU 85 2HD2 LEU 85 -0.291 -2.013 15.767 720 H ILE 86 H ILE 86 1.802 -4.916 14.664 721 HA ILE 86 HA ILE 86 -1.021 -5.305 14.113 722 HB ILE 86 HB ILE 86 1.422 -5.652 12.297 723 HG12 ILE 86 1HG1 ILE 86 0.066 -3.657 11.175 724 HG13 ILE 86 2HG1 ILE 86 -0.607 -3.455 12.790 725 HG21 ILE 86 1HG2 ILE 86 -0.313 -5.643 10.440 726 HG22 ILE 86 2HG2 ILE 86 -0.328 -7.099 11.447 727 HG23 ILE 86 3HG2 ILE 86 -1.569 -5.853 11.699 728 HD11 ILE 86 3HD1 ILE 86 2.381 -3.499 12.281 729 HD12 ILE 86 1HD1 ILE 86 1.406 -2.017 12.146 730 HD13 ILE 86 2HD1 ILE 86 1.501 -2.873 13.696 731 H LYS 87 H LYS 87 1.753 -7.471 14.654 732 HA LYS 87 HA LYS 87 0.556 -9.823 13.618 733 HB2 LYS 87 1HB LYS 87 2.580 -10.567 14.182 734 HB3 LYS 87 2HB LYS 87 2.858 -9.163 15.192 735 HG2 LYS 87 1HG LYS 87 1.789 -10.319 17.103 736 HG3 LYS 87 2HG LYS 87 1.559 -11.757 16.087 737 HD2 LYS 87 1HD LYS 87 3.956 -11.990 15.828 738 HD3 LYS 87 2HD LYS 87 4.219 -10.442 16.651 739 HE2 LYS 87 1HE LYS 87 3.072 -11.409 18.680 740 HE3 LYS 87 2HE LYS 87 3.100 -12.990 17.866 741 HZ1 LYS 87 3HZ LYS 87 5.523 -12.791 17.758 742 HZ2 LYS 87 1HZ LYS 87 5.015 -12.676 19.325 743 HZ3 LYS 87 2HZ LYS 87 5.472 -11.317 18.504 744 H GLU 88 H GLU 88 0.228 -8.388 16.932 745 HA GLU 88 HA GLU 88 -1.463 -10.610 17.692 746 HB2 GLU 88 1HB GLU 88 -1.894 -9.478 19.719 747 HB3 GLU 88 2HB GLU 88 -0.188 -9.269 19.341 748 HG2 GLU 88 1HG GLU 88 -0.474 -6.991 18.812 749 HG3 GLU 88 2HG GLU 88 -2.234 -7.150 18.683 750 H LEU 89 H LEU 89 -2.044 -7.594 16.002 751 HA LEU 89 HA LEU 89 -4.885 -7.551 16.475 752 HB2 LEU 89 1HB LEU 89 -3.130 -6.318 14.364 753 HB3 LEU 89 2HB LEU 89 -4.877 -6.169 14.324 754 HG LEU 89 HG LEU 89 -3.163 -5.232 16.647 755 HD11 LEU 89 1HD1 LEU 89 -4.366 -3.635 14.349 756 HD12 LEU 89 2HD1 LEU 89 -2.638 -3.967 14.599 757 HD13 LEU 89 3HD1 LEU 89 -3.522 -2.962 15.760 758 HD21 LEU 89 3HD2 LEU 89 -5.479 -5.670 17.316 759 HD22 LEU 89 1HD2 LEU 89 -6.088 -4.735 15.932 760 HD23 LEU 89 2HD2 LEU 89 -5.206 -3.922 17.243 761 H ILE 90 H ILE 90 -2.819 -9.067 13.987 762 HA ILE 90 HA ILE 90 -5.160 -10.029 12.527 763 HB ILE 90 HB ILE 90 -2.284 -11.041 12.290 764 HG12 ILE 90 1HG1 ILE 90 -3.650 -8.972 10.525 765 HG13 ILE 90 2HG1 ILE 90 -2.590 -8.529 11.858 766 HG21 ILE 90 1HG2 ILE 90 -4.699 -11.159 10.401 767 HG22 ILE 90 2HG2 ILE 90 -3.067 -11.723 10.002 768 HG23 ILE 90 3HG2 ILE 90 -3.985 -12.534 11.275 769 HD11 ILE 90 3HD1 ILE 90 -0.725 -9.860 10.775 770 HD12 ILE 90 1HD1 ILE 90 -1.785 -10.112 9.369 771 HD13 ILE 90 2HD1 ILE 90 -1.279 -8.473 9.812 772 H ASP 91 H ASP 91 -2.857 -11.401 14.928 773 HA ASP 91 HA ASP 91 -3.778 -14.105 14.806 774 HB2 ASP 91 1HB ASP 91 -2.111 -12.484 16.563 775 HB3 ASP 91 2HB ASP 91 -3.197 -13.473 17.535 776 H LYS 92 H LYS 92 -4.869 -11.275 16.660 777 HA LYS 92 HA LYS 92 -7.104 -12.844 17.842 778 HB2 LYS 92 1HB LYS 92 -6.067 -10.099 18.434 779 HB3 LYS 92 2HB LYS 92 -7.356 -10.952 19.293 780 HG2 LYS 92 1HG LYS 92 -5.709 -12.831 19.685 781 HG3 LYS 92 2HG LYS 92 -4.436 -11.715 19.141 782 HD2 LYS 92 1HD LYS 92 -6.438 -11.103 21.268 783 HD3 LYS 92 2HD LYS 92 -4.842 -11.814 21.592 784 HE2 LYS 92 1HE LYS 92 -3.819 -9.855 20.335 785 HE3 LYS 92 2HE LYS 92 -5.412 -9.100 20.317 786 HZ1 LYS 92 3HZ LYS 92 -3.945 -9.828 22.776 787 HZ2 LYS 92 1HZ LYS 92 -5.355 -8.975 22.692 788 HZ3 LYS 92 2HZ LYS 92 -3.951 -8.319 22.102 789 H LYS 93 H LYS 93 -7.189 -12.088 14.972 790 HA LYS 93 HA LYS 93 -8.721 -9.726 14.549 791 HB2 LYS 93 1HB LYS 93 -9.318 -10.659 12.393 792 HB3 LYS 93 2HB LYS 93 -7.618 -10.986 12.735 793 HG2 LYS 93 1HG LYS 93 -8.197 -13.335 13.349 794 HG3 LYS 93 2HG LYS 93 -9.900 -12.983 13.036 795 HD2 LYS 93 1HD LYS 93 -9.220 -14.058 11.079 796 HD3 LYS 93 2HD LYS 93 -9.186 -12.345 10.647 797 HE2 LYS 93 1HE LYS 93 -7.218 -13.410 9.740 798 HE3 LYS 93 2HE LYS 93 -6.705 -12.343 11.060 799 HZ1 LYS 93 3HZ LYS 93 -6.242 -14.148 12.414 800 HZ2 LYS 93 1HZ LYS 93 -5.772 -14.732 10.934 801 HZ3 LYS 93 2HZ LYS 93 -7.214 -15.195 11.584 802 H GLU 94 H GLU 94 -9.636 -12.854 15.743 803 HA GLU 94 HA GLU 94 -12.421 -12.837 15.274 804 HB2 GLU 94 1HB GLU 94 -12.361 -14.330 17.397 805 HB3 GLU 94 2HB GLU 94 -11.493 -14.865 15.952 806 HG2 GLU 94 1HG GLU 94 -9.358 -14.160 16.882 807 HG3 GLU 94 2HG GLU 94 -10.161 -13.400 18.263 808 H VAL 95 H VAL 95 -10.543 -11.265 17.864 809 HA VAL 95 HA VAL 95 -13.132 -10.349 19.055 810 HB VAL 95 HB VAL 95 -11.855 -9.990 21.162 811 HG11 VAL 95 1HG1 VAL 95 -13.077 -12.126 20.722 812 HG12 VAL 95 2HG1 VAL 95 -11.573 -12.838 20.095 813 HG13 VAL 95 3HG1 VAL 95 -11.680 -12.341 21.798 814 HG21 VAL 95 3HG2 VAL 95 -9.561 -11.420 19.744 815 HG22 VAL 95 1HG2 VAL 95 -9.593 -9.683 20.145 816 HG23 VAL 95 2HG2 VAL 95 -9.603 -10.898 21.440 817 H ASN 96 H ASN 96 -11.125 -9.336 16.846 818 HA ASN 96 HA ASN 96 -11.260 -6.487 17.786 819 HB2 ASN 96 1HB ASN 96 -9.049 -7.937 16.304 820 HB3 ASN 96 2HB ASN 96 -9.277 -6.190 16.155 821 HD21 ASN 96 2HD2 ASN 96 -8.231 -8.763 18.192 822 HD22 ASN 96 1HD2 ASN 96 -7.594 -7.735 19.463 823 HA PRO 97 HA PRO 97 -13.621 -7.400 13.949 824 HB2 PRO 97 1HB PRO 97 -15.845 -5.879 14.406 825 HB3 PRO 97 2HB PRO 97 -15.629 -7.516 15.106 826 HG2 PRO 97 1HG PRO 97 -15.055 -4.842 16.374 827 HG3 PRO 97 2HG PRO 97 -16.035 -6.204 17.012 828 HD2 PRO 97 1HD PRO 97 -13.466 -5.874 17.754 829 HD3 PRO 97 2HD PRO 97 -14.131 -7.518 17.444 830 H GLN 98 H GLN 98 -12.638 -4.385 15.444 831 HA GLN 98 HA GLN 98 -13.341 -2.695 13.214 832 HB2 GLN 98 1HB GLN 98 -12.330 -0.954 14.335 833 HB3 GLN 98 2HB GLN 98 -12.877 -1.978 15.652 834 HG2 GLN 98 1HG GLN 98 -9.992 -1.888 14.638 835 HG3 GLN 98 2HG GLN 98 -10.609 -0.890 15.948 836 HE21 GLN 98 2HE2 GLN 98 -9.420 -1.665 17.641 837 HE22 GLN 98 1HE2 GLN 98 -9.478 -3.336 18.175 838 H VAL 99 H VAL 99 -10.485 -4.586 14.180 839 HA VAL 99 HA VAL 99 -9.045 -3.630 11.810 840 HB VAL 99 HB VAL 99 -8.032 -4.270 14.166 841 HG11 VAL 99 1HG1 VAL 99 -7.141 -6.486 14.346 842 HG12 VAL 99 2HG1 VAL 99 -8.868 -6.657 14.016 843 HG13 VAL 99 3HG1 VAL 99 -7.693 -6.924 12.714 844 HG21 VAL 99 3HG2 VAL 99 -5.866 -4.655 13.049 845 HG22 VAL 99 1HG2 VAL 99 -6.710 -4.970 11.521 846 HG23 VAL 99 2HG2 VAL 99 -6.788 -3.357 12.267 847 H MET 100 H MET 100 -11.009 -6.426 12.743 848 HA MET 100 HA MET 100 -10.132 -8.214 10.725 849 HB2 MET 100 1HB MET 100 -11.577 -8.918 12.540 850 HB3 MET 100 2HB MET 100 -12.856 -7.828 12.007 851 HG2 MET 100 1HG MET 100 -13.289 -10.198 11.442 852 HG3 MET 100 2HG MET 100 -13.262 -9.127 10.034 853 HE1 MET 100 3HE MET 100 -12.269 -9.694 7.977 854 HE2 MET 100 1HE MET 100 -11.339 -11.190 7.689 855 HE3 MET 100 2HE MET 100 -12.993 -11.282 8.340 856 H ALA 101 H ALA 101 -12.590 -5.597 10.601 857 HA ALA 101 HA ALA 101 -13.386 -6.180 7.917 858 HB1 ALA 101 3HB ALA 101 -14.683 -4.715 9.418 859 HB2 ALA 101 1HB ALA 101 -13.356 -3.531 9.433 860 HB3 ALA 101 2HB ALA 101 -14.250 -3.848 7.926 861 H ALA 102 H ALA 102 -10.543 -4.557 9.233 862 HA ALA 102 HA ALA 102 -9.827 -3.316 6.684 863 HB1 ALA 102 3HB ALA 102 -9.242 -2.238 8.830 864 HB2 ALA 102 1HB ALA 102 -8.245 -3.641 9.270 865 HB3 ALA 102 2HB ALA 102 -7.789 -2.629 7.889 866 H VAL 103 H VAL 103 -9.111 -6.302 8.469 867 HA VAL 103 HA VAL 103 -6.863 -7.235 6.922 868 HB VAL 103 HB VAL 103 -9.156 -8.741 8.327 869 HG11 VAL 103 1HG1 VAL 103 -7.849 -10.774 8.213 870 HG12 VAL 103 2HG1 VAL 103 -8.144 -10.178 6.572 871 HG13 VAL 103 3HG1 VAL 103 -6.563 -9.936 7.335 872 HG21 VAL 103 3HG2 VAL 103 -7.556 -9.145 10.121 873 HG22 VAL 103 1HG2 VAL 103 -6.270 -8.328 9.200 874 HG23 VAL 103 2HG2 VAL 103 -7.658 -7.406 9.807 875 H ALA 104 H ALA 104 -10.411 -7.678 6.576 876 HA ALA 104 HA ALA 104 -10.257 -9.140 4.134 877 HB1 ALA 104 3HB ALA 104 -12.484 -7.350 5.213 878 HB2 ALA 104 1HB ALA 104 -12.655 -8.545 3.905 879 HB3 ALA 104 2HB ALA 104 -12.270 -9.083 5.558 880 H GLN 105 H GLN 105 -10.637 -5.626 4.773 881 HA GLN 105 HA GLN 105 -10.924 -4.877 2.043 882 HB2 GLN 105 1HB GLN 105 -9.991 -3.453 4.528 883 HB3 GLN 105 2HB GLN 105 -9.859 -2.682 2.941 884 HG2 GLN 105 1HG GLN 105 -12.290 -3.133 2.602 885 HG3 GLN 105 2HG GLN 105 -12.375 -3.617 4.300 886 HE21 GLN 105 2HE2 GLN 105 -12.767 -2.056 5.743 887 HE22 GLN 105 1HE2 GLN 105 -12.571 -0.338 5.439 888 H THR 106 H THR 106 -7.964 -5.382 4.006 889 HA THR 106 HA THR 106 -6.211 -4.181 2.092 890 HB THR 106 HB THR 106 -5.539 -6.510 3.934 891 HG1 THR 106 HG1 THR 106 -6.424 -4.808 5.132 892 HG21 THR 106 1HG2 THR 106 -3.859 -4.274 2.730 893 HG22 THR 106 2HG2 THR 106 -3.782 -5.994 2.286 894 HG23 THR 106 3HG2 THR 106 -3.282 -5.473 3.908 895 H GLU 107 H GLU 107 -7.497 -7.532 2.449 896 HA GLU 107 HA GLU 107 -6.036 -8.582 0.216 897 HB2 GLU 107 1HB GLU 107 -8.719 -9.384 1.392 898 HB3 GLU 107 2HB GLU 107 -7.905 -10.238 0.084 899 HG2 GLU 107 1HG GLU 107 -5.915 -10.463 1.627 900 HG3 GLU 107 2HG GLU 107 -6.975 -9.913 2.929 901 H GLU 108 H GLU 108 -9.267 -6.990 0.413 902 HA GLU 108 HA GLU 108 -9.969 -7.422 -2.323 903 HB2 GLU 108 1HB GLU 108 -10.643 -5.122 -0.451 904 HB3 GLU 108 2HB GLU 108 -11.386 -5.359 -2.031 905 HG2 GLU 108 1HG GLU 108 -12.358 -7.473 -1.294 906 HG3 GLU 108 2HG GLU 108 -11.560 -7.311 0.277 907 H ILE 109 H ILE 109 -8.168 -4.792 -0.738 908 HA ILE 109 HA ILE 109 -7.904 -3.171 -3.101 909 HB ILE 109 HB ILE 109 -6.364 -3.271 -0.459 910 HG12 ILE 109 1HG1 ILE 109 -8.312 -1.174 -1.495 911 HG13 ILE 109 2HG1 ILE 109 -8.853 -2.585 -0.599 912 HG21 ILE 109 1HG2 ILE 109 -4.849 -2.282 -2.126 913 HG22 ILE 109 2HG2 ILE 109 -6.131 -1.197 -2.702 914 HG23 ILE 109 3HG2 ILE 109 -5.463 -1.009 -1.060 915 HD11 ILE 109 3HD1 ILE 109 -7.099 -0.333 0.429 916 HD12 ILE 109 1HD1 ILE 109 -8.724 -0.796 0.973 917 HD13 ILE 109 2HD1 ILE 109 -7.341 -1.859 1.314 918 H LEU 110 H LEU 110 -5.769 -5.650 -1.571 919 HA LEU 110 HA LEU 110 -3.652 -5.317 -3.488 920 HB2 LEU 110 1HB LEU 110 -4.496 -7.398 -1.508 921 HB3 LEU 110 2HB LEU 110 -3.337 -7.867 -2.743 922 HG LEU 110 HG LEU 110 -1.657 -6.518 -1.916 923 HD11 LEU 110 1HD1 LEU 110 -1.898 -4.720 -0.253 924 HD12 LEU 110 2HD1 LEU 110 -3.656 -4.906 -0.289 925 HD13 LEU 110 3HD1 LEU 110 -2.780 -4.350 -1.731 926 HD21 LEU 110 3HD2 LEU 110 -2.142 -8.377 -0.416 927 HD22 LEU 110 1HD2 LEU 110 -3.313 -7.386 0.486 928 HD23 LEU 110 2HD2 LEU 110 -1.579 -6.985 0.529 929 H LYS 111 H LYS 111 -6.508 -7.484 -3.446 930 HA LYS 111 HA LYS 111 -5.737 -8.933 -5.812 931 HB2 LYS 111 1HB LYS 111 -8.359 -8.530 -4.416 932 HB3 LYS 111 2HB LYS 111 -8.166 -9.576 -5.837 933 HG2 LYS 111 1HG LYS 111 -6.633 -11.019 -4.691 934 HG3 LYS 111 2HG LYS 111 -6.461 -9.874 -3.349 935 HD2 LYS 111 1HD LYS 111 -8.885 -10.124 -2.914 936 HD3 LYS 111 2HD LYS 111 -8.900 -11.457 -4.089 937 HE2 LYS 111 1HE LYS 111 -7.247 -12.682 -2.743 938 HE3 LYS 111 2HE LYS 111 -7.082 -11.294 -1.663 939 HZ1 LYS 111 3HZ LYS 111 -8.457 -12.762 -0.539 940 HZ2 LYS 111 1HZ LYS 111 -9.385 -13.109 -1.868 941 HZ3 LYS 111 2HZ LYS 111 -9.494 -11.636 -1.131 942 H SER 112 H SER 112 -7.182 -5.798 -5.359 943 HA SER 112 HA SER 112 -8.302 -5.659 -8.064 944 HB2 SER 112 1HB SER 112 -9.215 -4.373 -6.129 945 HB3 SER 112 2HB SER 112 -7.705 -3.446 -6.062 946 HG SER 112 HG SER 112 -8.133 -2.765 -8.212 947 H ASN 113 H ASN 113 -5.238 -5.054 -6.507 948 HA ASN 113 HA ASN 113 -4.302 -3.343 -8.726 949 HB2 ASN 113 1HB ASN 113 -3.112 -4.182 -6.083 950 HB3 ASN 113 2HB ASN 113 -2.164 -3.368 -7.338 951 HD21 ASN 113 2HD2 ASN 113 -3.079 -2.524 -4.608 952 HD22 ASN 113 1HD2 ASN 113 -3.818 -0.961 -4.882 953 H SER 114 H SER 114 -4.427 -4.882 -10.374 954 HA SER 114 HA SER 114 -2.921 -7.279 -10.500 955 HB2 SER 114 1HB SER 114 -3.582 -5.330 -12.734 956 HB3 SER 114 2HB SER 114 -3.214 -7.055 -12.913 957 HG SER 114 HG SER 114 -5.105 -7.528 -11.792 958 H GLN 115 H GLN 115 -0.817 -6.908 -9.599 959 HA GLN 115 HA GLN 115 1.053 -5.053 -10.888 960 HB2 GLN 115 1HB GLN 115 1.158 -5.842 -8.477 961 HB3 GLN 115 2HB GLN 115 1.608 -7.443 -9.075 962 HG2 GLN 115 1HG GLN 115 3.642 -6.486 -10.100 963 HG3 GLN 115 2HG GLN 115 3.184 -4.882 -9.510 964 HE21 GLN 115 2HE2 GLN 115 5.358 -7.101 -8.961 965 HE22 GLN 115 1HE2 GLN 115 5.482 -7.049 -7.219 966 H THR 116 H THR 116 -0.142 -8.245 -11.267 967 HA THR 116 HA THR 116 1.310 -8.633 -13.794 968 HB THR 116 HB THR 116 2.679 -9.950 -12.122 969 HG1 THR 116 HG1 THR 116 2.494 -11.903 -13.255 970 HG21 THR 116 1HG2 THR 116 0.911 -10.375 -10.435 971 HG22 THR 116 2HG2 THR 116 1.683 -11.876 -10.973 972 HG23 THR 116 3HG2 THR 116 0.074 -11.445 -11.588 973 H ASP 117 H ASP 117 -0.112 -10.838 -14.586 974 HA ASP 117 HA ASP 117 -2.233 -11.344 -15.392 975 HB2 ASP 117 1HB ASP 117 -2.433 -12.134 -12.979 976 HB3 ASP 117 2HB ASP 117 -3.249 -10.606 -12.624 977 H LEU 118 H LEU 118 -1.278 -9.053 -16.154 978 HA LEU 118 HA LEU 118 -2.624 -6.680 -15.393 979 HB2 LEU 118 1HB LEU 118 -1.241 -7.343 -18.015 980 HB3 LEU 118 2HB LEU 118 -1.612 -5.725 -17.427 981 HG LEU 118 HG LEU 118 0.337 -7.668 -16.132 982 HD11 LEU 118 1HD1 LEU 118 2.064 -6.142 -16.983 983 HD12 LEU 118 2HD1 LEU 118 0.816 -5.150 -17.774 984 HD13 LEU 118 3HD1 LEU 118 1.104 -6.823 -18.313 985 HD21 LEU 118 3HD2 LEU 118 -0.621 -6.168 -14.452 986 HD22 LEU 118 1HD2 LEU 118 -0.284 -4.757 -15.483 987 HD23 LEU 118 2HD2 LEU 118 1.053 -5.705 -14.795 988 H GLU 119 H GLU 119 -3.944 -5.348 -16.709 989 HA GLU 119 HA GLU 119 -5.820 -4.816 -17.804 990 HB2 GLU 119 1HB GLU 119 -4.627 -6.830 -19.553 991 HB3 GLU 119 2HB GLU 119 -6.380 -6.693 -19.739 992 HG2 GLU 119 1HG GLU 119 -4.364 -4.445 -19.924 993 HG3 GLU 119 2HG GLU 119 -5.242 -5.191 -21.274 994 H HIS 120 H HIS 120 -5.784 -8.048 -16.539 995 HA HIS 120 HA HIS 120 -8.241 -9.104 -16.854 996 HB2 HIS 120 1HB HIS 120 -6.265 -9.756 -15.350 997 HB3 HIS 120 2HB HIS 120 -7.057 -8.827 -14.076 998 HD1 HIS 120 HD1 HIS 120 -6.513 -11.998 -14.091 999 HD2 HIS 120 HD2 HIS 120 -10.162 -10.104 -15.000 1000 HE1 HIS 120 HE1 HIS 120 -8.367 -13.690 -13.666 1001 H HIS 121 H HIS 121 -7.700 -6.340 -14.626 1002 HA HIS 121 HA HIS 121 -10.636 -5.881 -14.809 1003 HB2 HIS 121 1HB HIS 121 -9.851 -7.000 -12.600 1004 HB3 HIS 121 2HB HIS 121 -9.196 -5.412 -12.193 1005 HD1 HIS 121 HD1 HIS 121 -12.510 -7.171 -12.970 1006 HD2 HIS 121 HD2 HIS 121 -11.113 -3.574 -11.330 1007 HE1 HIS 121 HE1 HIS 121 -14.535 -5.970 -11.980 1008 H HIS 122 H HIS 122 -8.663 -4.619 -16.398 1009 HA HIS 122 HA HIS 122 -8.761 -1.846 -15.217 1010 HB2 HIS 122 1HB HIS 122 -6.551 -3.097 -16.859 1011 HB3 HIS 122 2HB HIS 122 -6.684 -1.368 -16.545 1012 HD1 HIS 122 HD1 HIS 122 -7.799 -2.468 -13.420 1013 HD2 HIS 122 HD2 HIS 122 -4.054 -2.699 -15.315 1014 HE1 HIS 122 HE1 HIS 122 -6.047 -2.772 -11.585 1015 H HIS 123 H HIS 123 -8.778 -3.646 -18.357 1016 HA HIS 123 HA HIS 123 -9.662 -3.085 -20.371 1017 HB2 HIS 123 1HB HIS 123 -11.688 -2.963 -18.753 1018 HB3 HIS 123 2HB HIS 123 -11.614 -1.219 -19.035 1019 HD1 HIS 123 HD1 HIS 123 -11.598 -4.400 -21.244 1020 HD2 HIS 123 HD2 HIS 123 -13.195 -0.525 -21.148 1021 HE1 HIS 123 HE1 HIS 123 -13.095 -4.164 -23.297 1022 H HIS 124 H HIS 124 -7.404 -1.702 -19.798 1023 HA HIS 124 HA HIS 124 -7.724 1.147 -20.501 1024 HB2 HIS 124 1HB HIS 124 -5.924 -0.182 -19.011 1025 HB3 HIS 124 2HB HIS 124 -5.104 -0.356 -20.563 1026 HD1 HIS 124 HD1 HIS 124 -3.725 1.652 -21.388 1027 HD2 HIS 124 HD2 HIS 124 -6.303 2.599 -18.190 1028 HE1 HIS 124 HE1 HIS 124 -3.145 4.018 -20.618 1029 H HIS 125 H HIS 125 -5.706 1.582 -22.280 1030 HA HIS 125 HA HIS 125 -6.088 -0.220 -24.625 1031 HB2 HIS 125 1HB HIS 125 -5.925 2.830 -24.635 1032 HB3 HIS 125 2HB HIS 125 -5.771 1.806 -26.067 1033 HD1 HIS 125 HD1 HIS 125 -7.977 3.881 -26.133 1034 HD2 HIS 125 HD2 HIS 125 -8.537 0.014 -24.617 1035 HE1 HIS 125 HE1 HIS 125 -10.480 3.394 -26.254 Start of MODEL 22 1 H21 MYR 1 1H2 MYR 1 0.224 0.338 -1.061 2 H22 MYR 1 2H2 MYR 1 1.686 0.176 -0.104 3 H31 MYR 1 1H3 MYR 1 -0.631 -1.842 -0.240 4 H32 MYR 1 2H3 MYR 1 0.965 -2.036 -0.960 5 H41 MYR 1 1H4 MYR 1 1.934 -1.872 1.450 6 H42 MYR 1 2H4 MYR 1 0.275 -1.966 2.029 7 H51 MYR 1 1H5 MYR 1 0.029 -4.211 0.843 8 H52 MYR 1 2H5 MYR 1 1.689 -4.092 0.313 9 H61 MYR 1 1H6 MYR 1 1.686 -5.546 2.216 10 H62 MYR 1 2H6 MYR 1 2.428 -4.047 2.741 11 H71 MYR 1 1H7 MYR 1 0.246 -3.360 3.838 12 H72 MYR 1 2H7 MYR 1 -0.497 -4.867 3.295 13 H81 MYR 1 1H8 MYR 1 1.075 -6.193 4.689 14 H82 MYR 1 2H8 MYR 1 2.001 -4.758 5.057 15 H91 MYR 1 1H9 MYR 1 0.095 -3.804 6.338 16 H92 MYR 1 2H9 MYR 1 0.723 -5.287 7.007 17 H101 MYR 1 1H10 MYR 1 -1.224 -6.517 5.748 18 H102 MYR 1 2H10 MYR 1 -1.887 -4.908 5.480 19 H111 MYR 1 1H11 MYR 1 -1.630 -6.488 8.046 20 H112 MYR 1 2H11 MYR 1 -1.427 -4.746 8.189 21 H121 MYR 1 1H12 MYR 1 -3.665 -4.405 7.053 22 H122 MYR 1 2H12 MYR 1 -3.905 -6.151 7.038 23 H131 MYR 1 1H13 MYR 1 -3.930 -6.266 9.484 24 H132 MYR 1 2H13 MYR 1 -3.336 -4.614 9.642 25 H141 MYR 1 1H14 MYR 1 -5.787 -4.756 10.110 26 H142 MYR 1 2H14 MYR 1 -5.460 -3.713 8.716 27 H143 MYR 1 3H14 MYR 1 -6.067 -5.356 8.470 28 H GLY 2 H GLY 2 1.711 0.859 1.917 29 HA2 GLY 2 1HA GLY 2 -0.586 1.171 3.659 30 HA3 GLY 2 2HA GLY 2 1.075 1.714 3.972 31 H GLN 3 H GLN 3 1.386 3.295 1.588 32 HA GLN 3 HA GLN 3 0.180 5.750 2.510 33 HB2 GLN 3 1HB GLN 3 1.408 5.020 -0.180 34 HB3 GLN 3 2HB GLN 3 0.989 6.659 0.329 35 HG2 GLN 3 1HG GLN 3 3.062 4.854 1.638 36 HG3 GLN 3 2HG GLN 3 3.394 6.234 0.586 37 HE21 GLN 3 2HE2 GLN 3 2.007 8.272 1.411 38 HE22 GLN 3 1HE2 GLN 3 2.274 8.621 3.103 39 H GLU 4 H GLU 4 -0.614 3.388 -0.037 40 HA GLU 4 HA GLU 4 -2.790 4.851 -1.154 41 HB2 GLU 4 1HB GLU 4 -1.563 2.928 -2.187 42 HB3 GLU 4 2HB GLU 4 -2.336 1.851 -1.029 43 HG2 GLU 4 1HG GLU 4 -3.516 1.679 -3.040 44 HG3 GLU 4 2HG GLU 4 -4.544 2.550 -1.911 45 H LEU 5 H LEU 5 -2.620 2.330 1.383 46 HA LEU 5 HA LEU 5 -5.371 2.145 1.960 47 HB2 LEU 5 1HB LEU 5 -2.810 1.493 3.207 48 HB3 LEU 5 2HB LEU 5 -4.039 1.909 4.394 49 HG LEU 5 HG LEU 5 -5.483 0.173 3.610 50 HD11 LEU 5 1HD1 LEU 5 -5.095 0.146 1.259 51 HD12 LEU 5 2HD1 LEU 5 -4.852 -1.468 1.932 52 HD13 LEU 5 3HD1 LEU 5 -3.442 -0.468 1.499 53 HD21 LEU 5 3HD2 LEU 5 -4.235 -1.701 4.381 54 HD22 LEU 5 1HD2 LEU 5 -3.555 -0.290 5.197 55 HD23 LEU 5 2HD2 LEU 5 -2.699 -1.003 3.811 56 H SER 6 H SER 6 -2.974 4.500 3.227 57 HA SER 6 HA SER 6 -4.740 5.866 4.999 58 HB2 SER 6 1HB SER 6 -2.546 7.118 3.301 59 HB3 SER 6 2HB SER 6 -3.178 7.716 4.842 60 HG SER 6 HG SER 6 -1.663 5.355 4.371 61 H GLN 7 H GLN 7 -4.697 5.849 1.509 62 HA GLN 7 HA GLN 7 -6.077 8.488 1.349 63 HB2 GLN 7 1HB GLN 7 -5.046 6.541 -0.742 64 HB3 GLN 7 2HB GLN 7 -5.827 8.080 -1.122 65 HG2 GLN 7 1HG GLN 7 -4.021 9.354 -0.253 66 HG3 GLN 7 2HG GLN 7 -3.364 7.985 0.640 67 HE21 GLN 7 2HE2 GLN 7 -4.236 6.820 -2.380 68 HE22 GLN 7 1HE2 GLN 7 -2.681 6.945 -3.152 69 H HIS 8 H HIS 8 -6.599 5.095 1.434 70 HA HIS 8 HA HIS 8 -9.226 5.213 0.090 71 HB2 HIS 8 1HB HIS 8 -7.558 3.035 1.368 72 HB3 HIS 8 2HB HIS 8 -9.242 2.779 0.942 73 HD1 HIS 8 HD1 HIS 8 -9.147 1.287 -1.114 74 HD2 HIS 8 HD2 HIS 8 -6.528 4.547 -1.340 75 HE1 HIS 8 HE1 HIS 8 -8.123 1.266 -3.453 76 H GLU 9 H GLU 9 -10.285 6.666 1.357 77 HA GLU 9 HA GLU 9 -10.489 6.870 4.091 78 HB2 GLU 9 1HB GLU 9 -13.090 7.352 3.309 79 HB3 GLU 9 2HB GLU 9 -11.768 8.517 3.309 80 HG2 GLU 9 1HG GLU 9 -12.972 8.584 1.179 81 HG3 GLU 9 2HG GLU 9 -11.311 8.039 0.923 82 H ARG 10 H ARG 10 -12.380 4.516 2.133 83 HA ARG 10 HA ARG 10 -14.045 3.624 4.263 84 HB2 ARG 10 1HB ARG 10 -13.059 2.433 1.688 85 HB3 ARG 10 2HB ARG 10 -13.941 1.411 2.828 86 HG2 ARG 10 1HG ARG 10 -15.934 2.508 2.534 87 HG3 ARG 10 2HG ARG 10 -15.165 4.055 2.144 88 HD2 ARG 10 1HD ARG 10 -15.015 1.667 0.286 89 HD3 ARG 10 2HD ARG 10 -16.342 2.849 0.223 90 HE ARG 10 HE ARG 10 -14.069 4.424 0.185 91 HH11 ARG 10 1HH1 ARG 10 -15.290 1.840 -1.909 92 HH12 ARG 10 2HH1 ARG 10 -14.467 2.472 -3.310 93 HH21 ARG 10 1HH2 ARG 10 -13.024 5.128 -1.594 94 HH22 ARG 10 2HH2 ARG 10 -13.219 4.323 -3.142 95 H TYR 11 H TYR 11 -10.701 2.615 3.423 96 HA TYR 11 HA TYR 11 -10.721 0.485 5.414 97 HB2 TYR 11 1HB TYR 11 -9.235 0.304 3.534 98 HB3 TYR 11 2HB TYR 11 -8.558 1.911 3.836 99 HD1 TYR 11 HD1 TYR 11 -8.765 -1.557 5.206 100 HD2 TYR 11 HD2 TYR 11 -6.797 2.262 5.386 101 HE1 TYR 11 HE1 TYR 11 -7.017 -2.511 6.690 102 HE2 TYR 11 HE2 TYR 11 -5.063 1.280 6.842 103 HH TYR 11 HH TYR 11 -4.270 -0.610 7.865 104 H VAL 12 H VAL 12 -9.681 3.873 5.171 105 HA VAL 12 HA VAL 12 -8.346 4.072 7.665 106 HB VAL 12 HB VAL 12 -9.909 6.202 6.122 107 HG11 VAL 12 1HG1 VAL 12 -7.800 6.591 8.273 108 HG12 VAL 12 2HG1 VAL 12 -8.609 7.867 7.346 109 HG13 VAL 12 3HG1 VAL 12 -9.537 6.876 8.488 110 HG21 VAL 12 3HG2 VAL 12 -7.705 6.876 5.260 111 HG22 VAL 12 1HG2 VAL 12 -6.924 5.580 6.194 112 HG23 VAL 12 2HG2 VAL 12 -8.016 5.182 4.859 113 H GLU 13 H GLU 13 -11.847 4.244 6.864 114 HA GLU 13 HA GLU 13 -12.787 5.181 9.359 115 HB2 GLU 13 1HB GLU 13 -13.969 3.228 7.374 116 HB3 GLU 13 2HB GLU 13 -14.837 3.740 8.820 117 HG2 GLU 13 1HG GLU 13 -13.749 5.788 6.900 118 HG3 GLU 13 2HG GLU 13 -15.275 4.956 6.564 119 H GLN 14 H GLN 14 -11.978 1.803 8.437 120 HA GLN 14 HA GLN 14 -12.834 0.763 11.006 121 HB2 GLN 14 1HB GLN 14 -10.994 -0.365 8.865 122 HB3 GLN 14 2HB GLN 14 -11.470 -1.238 10.327 123 HG2 GLN 14 1HG GLN 14 -13.318 -0.246 8.140 124 HG3 GLN 14 2HG GLN 14 -12.875 -1.929 8.477 125 HE21 GLN 14 2HE2 GLN 14 -13.241 -2.435 10.994 126 HE22 GLN 14 1HE2 GLN 14 -14.840 -1.984 11.554 127 H LEU 15 H LEU 15 -9.719 1.900 9.662 128 HA LEU 15 HA LEU 15 -8.292 1.149 12.055 129 HB2 LEU 15 1HB LEU 15 -7.647 2.923 9.723 130 HB3 LEU 15 2HB LEU 15 -6.632 2.901 11.147 131 HG LEU 15 HG LEU 15 -7.011 0.747 9.104 132 HD11 LEU 15 1HD1 LEU 15 -4.527 0.899 9.161 133 HD12 LEU 15 2HD1 LEU 15 -4.634 2.110 10.450 134 HD13 LEU 15 3HD1 LEU 15 -5.279 2.470 8.832 135 HD21 LEU 15 3HD2 LEU 15 -7.238 -0.523 11.171 136 HD22 LEU 15 1HD2 LEU 15 -5.850 0.333 11.893 137 HD23 LEU 15 2HD2 LEU 15 -5.612 -0.767 10.514 138 H LYS 16 H LYS 16 -10.259 3.971 11.287 139 HA LYS 16 HA LYS 16 -9.143 5.751 13.263 140 HB2 LYS 16 1HB LYS 16 -11.988 5.385 12.260 141 HB3 LYS 16 2HB LYS 16 -11.544 6.619 13.434 142 HG2 LYS 16 1HG LYS 16 -10.094 7.723 11.812 143 HG3 LYS 16 2HG LYS 16 -10.410 6.440 10.637 144 HD2 LYS 16 1HD LYS 16 -12.873 6.969 10.865 145 HD3 LYS 16 2HD LYS 16 -12.407 8.419 11.764 146 HE2 LYS 16 1HE LYS 16 -11.148 9.238 9.800 147 HE3 LYS 16 2HE LYS 16 -11.520 7.733 8.928 148 HZ1 LYS 16 3HZ LYS 16 -13.514 9.738 9.822 149 HZ2 LYS 16 1HZ LYS 16 -13.888 8.291 9.120 150 HZ3 LYS 16 2HZ LYS 16 -13.060 9.438 8.264 151 H GLN 17 H GLN 17 -11.365 3.012 13.399 152 HA GLN 17 HA GLN 17 -11.927 3.372 16.242 153 HB2 GLN 17 1HB GLN 17 -12.321 0.967 14.418 154 HB3 GLN 17 2HB GLN 17 -13.035 1.176 16.017 155 HG2 GLN 17 1HG GLN 17 -14.440 2.976 15.229 156 HG3 GLN 17 2HG GLN 17 -13.580 3.051 13.684 157 HE21 GLN 17 2HE2 GLN 17 -14.612 2.193 12.041 158 HE22 GLN 17 1HE2 GLN 17 -15.710 0.833 12.124 159 H ALA 18 H ALA 18 -9.888 1.216 14.215 160 HA ALA 18 HA ALA 18 -8.966 -0.352 16.387 161 HB1 ALA 18 3HB ALA 18 -8.962 -1.022 14.006 162 HB2 ALA 18 1HB ALA 18 -7.599 0.094 13.724 163 HB3 ALA 18 2HB ALA 18 -7.399 -1.292 14.818 164 H LEU 19 H LEU 19 -7.323 2.497 14.841 165 HA LEU 19 HA LEU 19 -4.905 2.229 16.374 166 HB2 LEU 19 1HB LEU 19 -6.218 4.447 14.831 167 HB3 LEU 19 2HB LEU 19 -5.096 4.924 16.091 168 HG LEU 19 HG LEU 19 -3.421 3.309 14.922 169 HD11 LEU 19 1HD1 LEU 19 -4.856 2.301 13.243 170 HD12 LEU 19 2HD1 LEU 19 -3.647 3.329 12.419 171 HD13 LEU 19 3HD1 LEU 19 -5.322 3.904 12.628 172 HD21 LEU 19 3HD2 LEU 19 -3.036 5.711 15.051 173 HD22 LEU 19 1HD2 LEU 19 -4.189 6.004 13.730 174 HD23 LEU 19 2HD2 LEU 19 -2.656 5.158 13.396 175 H LYS 20 H LYS 20 -8.034 3.820 17.011 176 HA LYS 20 HA LYS 20 -7.223 5.005 19.504 177 HB2 LYS 20 1HB LYS 20 -9.926 4.288 18.340 178 HB3 LYS 20 2HB LYS 20 -9.746 5.022 19.934 179 HG2 LYS 20 1HG LYS 20 -8.656 6.981 18.933 180 HG3 LYS 20 2HG LYS 20 -8.824 6.249 17.323 181 HD2 LYS 20 1HD LYS 20 -11.311 6.117 17.726 182 HD3 LYS 20 2HD LYS 20 -11.065 7.044 19.219 183 HE2 LYS 20 1HE LYS 20 -10.097 8.900 17.903 184 HE3 LYS 20 2HE LYS 20 -10.339 7.961 16.410 185 HZ1 LYS 20 3HZ LYS 20 -12.154 9.525 16.783 186 HZ2 LYS 20 1HZ LYS 20 -12.501 8.844 18.246 187 HZ3 LYS 20 2HZ LYS 20 -12.720 7.977 16.860 188 H THR 21 H THR 21 -9.019 1.940 18.808 189 HA THR 21 HA THR 21 -9.413 1.482 21.609 190 HB THR 21 HB THR 21 -10.806 0.509 19.690 191 HG1 THR 21 HG1 THR 21 -9.866 -1.109 21.838 192 HG21 THR 21 1HG2 THR 21 -8.829 -0.540 18.487 193 HG22 THR 21 2HG2 THR 21 -10.204 -1.620 18.783 194 HG23 THR 21 3HG2 THR 21 -8.755 -1.733 19.803 195 H ARG 22 H ARG 22 -6.687 0.726 19.517 196 HA ARG 22 HA ARG 22 -5.597 -1.212 21.431 197 HB2 ARG 22 1HB ARG 22 -5.024 -0.518 18.796 198 HB3 ARG 22 2HB ARG 22 -3.646 0.123 19.694 199 HG2 ARG 22 1HG ARG 22 -4.623 -2.727 20.036 200 HG3 ARG 22 2HG ARG 22 -3.458 -2.272 18.784 201 HD2 ARG 22 1HD ARG 22 -1.748 -2.027 20.262 202 HD3 ARG 22 2HD ARG 22 -2.763 -1.325 21.510 203 HE ARG 22 HE ARG 22 -2.210 -4.188 21.042 204 HH11 ARG 22 1HH1 ARG 22 -3.948 -1.781 23.001 205 HH12 ARG 22 2HH1 ARG 22 -4.365 -2.967 24.213 206 HH21 ARG 22 1HH2 ARG 22 -2.792 -5.602 22.581 207 HH22 ARG 22 2HH2 ARG 22 -3.689 -5.089 24.003 208 H GLY 23 H GLY 23 -5.740 2.235 21.080 209 HA2 GLY 23 1HA GLY 23 -5.041 3.854 22.591 210 HA3 GLY 23 2HA GLY 23 -4.261 2.595 23.574 211 H VAL 24 H VAL 24 -3.542 2.513 20.208 212 HA VAL 24 HA VAL 24 -0.775 3.251 20.822 213 HB VAL 24 HB VAL 24 -1.139 1.223 19.524 214 HG11 VAL 24 1HG1 VAL 24 -2.044 1.183 17.293 215 HG12 VAL 24 2HG1 VAL 24 -3.238 1.905 18.383 216 HG13 VAL 24 3HG1 VAL 24 -2.284 2.943 17.310 217 HG21 VAL 24 3HG2 VAL 24 0.440 1.627 17.712 218 HG22 VAL 24 1HG2 VAL 24 0.148 3.375 17.813 219 HG23 VAL 24 2HG2 VAL 24 0.927 2.521 19.165 220 H LYS 25 H LYS 25 -0.721 5.305 21.218 221 HA LYS 25 HA LYS 25 -2.127 7.294 19.605 222 HB2 LYS 25 1HB LYS 25 -0.075 7.589 21.836 223 HB3 LYS 25 2HB LYS 25 -1.028 8.912 21.145 224 HG2 LYS 25 1HG LYS 25 -3.099 7.878 21.967 225 HG3 LYS 25 2HG LYS 25 -2.180 6.496 22.585 226 HD2 LYS 25 1HD LYS 25 -0.904 8.032 24.070 227 HD3 LYS 25 2HD LYS 25 -1.946 9.368 23.532 228 HE2 LYS 25 1HE LYS 25 -3.933 8.163 24.380 229 HE3 LYS 25 2HE LYS 25 -2.905 6.802 24.874 230 HZ1 LYS 25 3HZ LYS 25 -2.729 9.556 25.963 231 HZ2 LYS 25 1HZ LYS 25 -1.776 8.289 26.417 232 HZ3 LYS 25 2HZ LYS 25 -3.394 8.260 26.737 233 H VAL 26 H VAL 26 -1.203 6.878 17.542 234 HA VAL 26 HA VAL 26 1.413 8.271 17.170 235 HB VAL 26 HB VAL 26 1.964 6.648 15.331 236 HG11 VAL 26 1HG1 VAL 26 2.723 4.804 16.752 237 HG12 VAL 26 2HG1 VAL 26 2.937 6.353 17.597 238 HG13 VAL 26 3HG1 VAL 26 1.585 5.285 18.031 239 HG21 VAL 26 3HG2 VAL 26 -0.422 5.077 16.402 240 HG22 VAL 26 1HG2 VAL 26 -0.267 5.817 14.792 241 HG23 VAL 26 2HG2 VAL 26 0.779 4.463 15.253 242 H LYS 27 H LYS 27 1.624 9.067 14.902 243 HA LYS 27 HA LYS 27 -0.860 10.274 13.990 244 HB2 LYS 27 1HB LYS 27 1.523 11.194 13.743 245 HB3 LYS 27 2HB LYS 27 1.760 9.972 12.501 246 HG2 LYS 27 1HG LYS 27 -0.292 11.032 11.327 247 HG3 LYS 27 2HG LYS 27 -0.016 12.406 12.414 248 HD2 LYS 27 1HD LYS 27 2.045 11.197 10.517 249 HD3 LYS 27 2HD LYS 27 1.109 12.658 10.181 250 HE2 LYS 27 1HE LYS 27 2.379 13.965 11.594 251 HE3 LYS 27 2HE LYS 27 2.675 12.641 12.739 252 HZ1 LYS 27 3HZ LYS 27 4.229 11.670 11.172 253 HZ2 LYS 27 1HZ LYS 27 4.687 13.212 11.550 254 HZ3 LYS 27 2HZ LYS 27 3.978 12.896 10.092 255 H PHE 28 H PHE 28 -2.158 9.547 12.308 256 HA PHE 28 HA PHE 28 -2.294 6.782 11.714 257 HB2 PHE 28 1HB PHE 28 -3.703 9.198 11.155 258 HB3 PHE 28 2HB PHE 28 -3.295 8.547 9.567 259 HD1 PHE 28 HD2 PHE 28 -4.131 6.313 8.877 260 HD2 PHE 28 HD1 PHE 28 -5.355 8.186 12.547 261 HE1 PHE 28 HE2 PHE 28 -6.100 4.808 8.983 262 HE2 PHE 28 HE1 PHE 28 -7.333 6.691 12.656 263 HZ PHE 28 HZ PHE 28 -7.719 5.023 10.858 264 H ALA 29 H ALA 29 -0.966 9.440 9.702 265 HA ALA 29 HA ALA 29 -0.230 7.800 7.515 266 HB1 ALA 29 3HB ALA 29 1.115 10.344 8.516 267 HB2 ALA 29 1HB ALA 29 1.231 9.659 6.882 268 HB3 ALA 29 2HB ALA 29 -0.327 10.291 7.464 269 H ASP 30 H ASP 30 1.428 8.537 10.576 270 HA ASP 30 HA ASP 30 3.949 7.412 9.725 271 HB2 ASP 30 1HB ASP 30 2.825 8.012 12.478 272 HB3 ASP 30 2HB ASP 30 4.459 7.400 12.192 273 H LEU 31 H LEU 31 0.961 6.103 11.154 274 HA LEU 31 HA LEU 31 2.224 3.604 11.843 275 HB2 LEU 31 1HB LEU 31 -0.181 4.639 12.514 276 HB3 LEU 31 2HB LEU 31 -0.664 3.509 11.224 277 HG LEU 31 HG LEU 31 0.994 2.846 13.716 278 HD11 LEU 31 1HD1 LEU 31 -0.907 1.524 14.414 279 HD12 LEU 31 2HD1 LEU 31 -1.798 1.979 12.944 280 HD13 LEU 31 3HD1 LEU 31 -1.376 3.210 14.164 281 HD21 LEU 31 3HD2 LEU 31 1.756 1.372 12.004 282 HD22 LEU 31 1HD2 LEU 31 0.098 1.077 11.441 283 HD23 LEU 31 2HD2 LEU 31 0.635 0.453 13.017 284 H LEU 32 H LEU 32 -0.063 4.549 9.274 285 HA LEU 32 HA LEU 32 0.290 2.201 7.705 286 HB2 LEU 32 1HB LEU 32 -0.455 5.029 7.026 287 HB3 LEU 32 2HB LEU 32 -0.178 3.868 5.750 288 HG LEU 32 HG LEU 32 -2.474 3.931 6.034 289 HD11 LEU 32 1HD1 LEU 32 -3.138 1.743 6.610 290 HD12 LEU 32 2HD1 LEU 32 -1.734 1.503 7.664 291 HD13 LEU 32 3HD1 LEU 32 -1.529 1.628 5.896 292 HD21 LEU 32 3HD2 LEU 32 -2.154 3.543 8.976 293 HD22 LEU 32 1HD2 LEU 32 -3.656 3.827 8.051 294 HD23 LEU 32 2HD2 LEU 32 -2.424 5.094 8.148 295 H LYS 33 H LYS 33 2.501 4.901 7.971 296 HA LYS 33 HA LYS 33 4.018 4.531 5.599 297 HB2 LYS 33 1HB LYS 33 4.452 6.309 7.255 298 HB3 LYS 33 2HB LYS 33 4.999 5.101 8.422 299 HG2 LYS 33 1HG LYS 33 6.879 4.517 6.981 300 HG3 LYS 33 2HG LYS 33 6.333 5.699 5.772 301 HD2 LYS 33 1HD LYS 33 6.603 7.504 7.441 302 HD3 LYS 33 2HD LYS 33 7.161 6.306 8.632 303 HE2 LYS 33 1HE LYS 33 9.039 5.701 7.131 304 HE3 LYS 33 2HE LYS 33 8.495 6.927 5.967 305 HZ1 LYS 33 3HZ LYS 33 9.376 7.475 8.743 306 HZ2 LYS 33 1HZ LYS 33 8.878 8.613 7.657 307 HZ3 LYS 33 2HZ LYS 33 10.264 7.761 7.383 308 H PHE 34 H PHE 34 3.983 2.648 8.625 309 HA PHE 34 HA PHE 34 6.182 0.954 7.748 310 HB2 PHE 34 1HB PHE 34 4.316 0.956 10.099 311 HB3 PHE 34 2HB PHE 34 5.377 -0.413 9.779 312 HD1 PHE 34 HD1 PHE 34 5.324 3.220 10.513 313 HD2 PHE 34 HD2 PHE 34 7.745 -0.308 10.168 314 HE1 PHE 34 HE1 PHE 34 7.226 4.451 11.522 315 HE2 PHE 34 HE2 PHE 34 9.669 0.912 11.173 316 HZ PHE 34 HZ PHE 34 9.416 3.307 11.836 317 H PHE 35 H PHE 35 2.701 0.885 7.305 318 HA PHE 35 HA PHE 35 2.540 -1.934 6.582 319 HB2 PHE 35 1HB PHE 35 0.851 0.498 5.883 320 HB3 PHE 35 2HB PHE 35 0.547 -1.082 5.178 321 HD1 PHE 35 HD1 PHE 35 1.427 -0.159 8.766 322 HD2 PHE 35 HD2 PHE 35 -1.467 -1.808 6.033 323 HE1 PHE 35 HE1 PHE 35 -0.026 -0.794 10.668 324 HE2 PHE 35 HE2 PHE 35 -2.911 -2.433 7.953 325 HZ PHE 35 HZ PHE 35 -2.200 -1.901 10.278 326 H ASP 36 H ASP 36 3.605 1.068 5.045 327 HA ASP 36 HA ASP 36 3.739 -0.115 2.373 328 HB2 ASP 36 1HB ASP 36 3.594 2.427 3.296 329 HB3 ASP 36 2HB ASP 36 5.342 2.301 3.034 330 H PHE 37 H PHE 37 5.844 0.173 5.167 331 HA PHE 37 HA PHE 37 8.327 -0.288 3.813 332 HB2 PHE 37 1HB PHE 37 8.085 0.595 6.133 333 HB3 PHE 37 2HB PHE 37 7.550 -1.004 6.664 334 HD1 PHE 37 HD1 PHE 37 10.433 0.878 5.224 335 HD2 PHE 37 HD2 PHE 37 9.119 -2.746 7.136 336 HE1 PHE 37 HE1 PHE 37 12.808 0.211 5.580 337 HE2 PHE 37 HE2 PHE 37 11.490 -3.422 7.495 338 HZ PHE 37 HZ PHE 37 13.339 -1.937 6.714 339 H VAL 38 H VAL 38 5.906 -2.533 5.251 340 HA VAL 38 HA VAL 38 7.539 -4.858 4.811 341 HB VAL 38 HB VAL 38 5.961 -5.753 6.073 342 HG11 VAL 38 1HG1 VAL 38 5.197 -3.644 6.828 343 HG12 VAL 38 2HG1 VAL 38 4.163 -3.456 5.390 344 HG13 VAL 38 3HG1 VAL 38 3.795 -4.694 6.588 345 HG21 VAL 38 3HG2 VAL 38 5.208 -6.842 3.986 346 HG22 VAL 38 1HG2 VAL 38 3.875 -6.621 5.125 347 HG23 VAL 38 2HG2 VAL 38 4.028 -5.531 3.735 348 H LYS 39 H LYS 39 5.306 -3.080 2.745 349 HA LYS 39 HA LYS 39 5.054 -4.982 0.636 350 HB2 LYS 39 1HB LYS 39 3.757 -2.915 0.730 351 HB3 LYS 39 2HB LYS 39 5.200 -1.951 0.586 352 HG2 LYS 39 1HG LYS 39 4.580 -3.859 -1.636 353 HG3 LYS 39 2HG LYS 39 3.592 -2.403 -1.483 354 HD2 LYS 39 1HD LYS 39 6.643 -2.410 -1.772 355 HD3 LYS 39 2HD LYS 39 5.496 -2.113 -3.077 356 HE2 LYS 39 1HE LYS 39 5.677 0.068 -2.583 357 HE3 LYS 39 2HE LYS 39 4.704 -0.269 -1.145 358 HZ1 LYS 39 3HZ LYS 39 6.794 -0.611 0.084 359 HZ2 LYS 39 1HZ LYS 39 6.700 0.904 -0.544 360 HZ3 LYS 39 2HZ LYS 39 7.684 -0.227 -1.258 361 H ASP 40 H ASP 40 7.649 -2.717 1.479 362 HA ASP 40 HA ASP 40 9.090 -3.098 -0.987 363 HB2 ASP 40 1HB ASP 40 9.143 -1.289 1.055 364 HB3 ASP 40 2HB ASP 40 10.584 -2.245 1.431 365 H THR 41 H THR 41 9.716 -4.265 2.379 366 HA THR 41 HA THR 41 11.962 -5.872 1.550 367 HB THR 41 HB THR 41 10.363 -6.512 4.028 368 HG1 THR 41 HG1 THR 41 11.886 -4.149 3.560 369 HG21 THR 41 1HG2 THR 41 13.329 -6.136 3.454 370 HG22 THR 41 2HG2 THR 41 12.479 -7.693 3.600 371 HG23 THR 41 3HG2 THR 41 12.628 -6.626 5.010 372 H CYS 42 H CYS 42 8.522 -6.453 1.799 373 HA CYS 42 HA CYS 42 8.954 -9.279 0.910 374 HB2 CYS 42 1HB CYS 42 6.747 -8.136 2.658 375 HB3 CYS 42 2HB CYS 42 6.799 -9.788 2.037 376 HG CYS 42 HG CYS 42 9.023 -8.292 3.932 377 HA PRO 43 HA PRO 43 6.481 -6.906 -2.194 378 HB2 PRO 43 1HB PRO 43 7.653 -7.868 -4.462 379 HB3 PRO 43 2HB PRO 43 8.375 -6.530 -3.508 380 HG2 PRO 43 1HG PRO 43 9.029 -9.473 -3.422 381 HG3 PRO 43 2HG PRO 43 10.141 -8.077 -3.599 382 HD2 PRO 43 1HD PRO 43 9.698 -9.264 -1.200 383 HD3 PRO 43 2HD PRO 43 9.937 -7.482 -1.341 384 H TRP 44 H TRP 44 7.257 -10.223 -1.601 385 HA TRP 44 HA TRP 44 5.217 -11.346 -3.314 386 HB2 TRP 44 1HB TRP 44 5.685 -13.333 -1.640 387 HB3 TRP 44 2HB TRP 44 6.812 -12.911 -2.938 388 HD1 TRP 44 HD1 TRP 44 6.323 -12.010 0.772 389 HE1 TRP 44 HE1 TRP 44 8.595 -11.702 1.914 390 HE3 TRP 44 HE3 TRP 44 9.225 -12.673 -3.352 391 HZ2 TRP 44 HZ2 TRP 44 11.329 -11.699 1.099 392 HZ3 TRP 44 HZ3 TRP 44 11.714 -12.496 -3.121 393 HH2 TRP 44 HH2 TRP 44 12.742 -11.998 -0.902 394 H PHE 45 H PHE 45 5.146 -9.775 -0.200 395 HA PHE 45 HA PHE 45 2.914 -11.291 0.818 396 HB2 PHE 45 1HB PHE 45 4.400 -9.910 2.241 397 HB3 PHE 45 2HB PHE 45 3.722 -8.451 1.522 398 HD1 PHE 45 HD2 PHE 45 1.393 -7.769 2.007 399 HD2 PHE 45 HD1 PHE 45 3.135 -11.252 3.836 400 HE1 PHE 45 HE2 PHE 45 -0.448 -7.807 3.675 401 HE2 PHE 45 HE1 PHE 45 1.303 -11.285 5.523 402 HZ PHE 45 HZ PHE 45 -0.494 -9.558 5.445 403 HA PRO 46 HA PRO 46 0.013 -8.172 -0.992 404 HB2 PRO 46 1HB PRO 46 0.690 -6.401 -2.943 405 HB3 PRO 46 2HB PRO 46 0.848 -6.005 -1.200 406 HG2 PRO 46 1HG PRO 46 2.947 -7.008 -3.098 407 HG3 PRO 46 2HG PRO 46 2.994 -5.582 -2.012 408 HD2 PRO 46 1HD PRO 46 4.095 -7.929 -1.288 409 HD3 PRO 46 2HD PRO 46 3.236 -6.904 -0.094 410 H GLN 47 H GLN 47 2.601 -9.532 -2.979 411 HA GLN 47 HA GLN 47 1.085 -9.959 -5.372 412 HB2 GLN 47 1HB GLN 47 3.600 -10.144 -5.044 413 HB3 GLN 47 2HB GLN 47 3.314 -11.705 -4.271 414 HG2 GLN 47 1HG GLN 47 2.319 -12.561 -6.354 415 HG3 GLN 47 2HG GLN 47 2.571 -10.982 -7.119 416 HE21 GLN 47 2HE2 GLN 47 4.628 -10.349 -7.765 417 HE22 GLN 47 1HE2 GLN 47 5.964 -11.473 -7.802 418 H GLU 48 H GLU 48 1.451 -11.816 -2.348 419 HA GLU 48 HA GLU 48 -0.123 -14.077 -3.292 420 HB2 GLU 48 1HB GLU 48 0.826 -13.123 -0.574 421 HB3 GLU 48 2HB GLU 48 -0.180 -14.564 -0.776 422 HG2 GLU 48 1HG GLU 48 1.511 -15.651 -2.108 423 HG3 GLU 48 2HG GLU 48 2.491 -14.188 -2.169 424 H GLY 49 H GLY 49 -0.803 -10.940 -1.928 425 HA2 GLY 49 1HA GLY 49 -2.768 -9.872 -1.447 426 HA3 GLY 49 2HA GLY 49 -3.526 -11.005 -2.564 427 H THR 50 H THR 50 -1.978 -12.188 0.347 428 HA THR 50 HA THR 50 -4.687 -12.718 1.506 429 HB THR 50 HB THR 50 -2.305 -14.611 1.421 430 HG1 THR 50 HG1 THR 50 -3.564 -14.250 -0.588 431 HG21 THR 50 1HG2 THR 50 -3.486 -15.157 3.372 432 HG22 THR 50 2HG2 THR 50 -4.183 -16.237 2.148 433 HG23 THR 50 3HG2 THR 50 -5.074 -14.780 2.638 434 H ILE 51 H ILE 51 -4.909 -12.102 3.553 435 HA ILE 51 HA ILE 51 -2.396 -11.508 5.077 436 HB ILE 51 HB ILE 51 -5.054 -10.027 5.117 437 HG12 ILE 51 1HG1 ILE 51 -2.318 -9.205 4.078 438 HG13 ILE 51 2HG1 ILE 51 -3.663 -9.700 3.063 439 HG21 ILE 51 1HG2 ILE 51 -3.979 -8.432 6.642 440 HG22 ILE 51 2HG2 ILE 51 -3.848 -10.047 7.355 441 HG23 ILE 51 3HG2 ILE 51 -2.434 -9.317 6.558 442 HD11 ILE 51 3HD1 ILE 51 -3.594 -7.388 2.996 443 HD12 ILE 51 1HD1 ILE 51 -4.973 -7.813 4.028 444 HD13 ILE 51 2HD1 ILE 51 -3.446 -7.246 4.756 445 H ASP 52 H ASP 52 -2.154 -13.172 6.315 446 HA ASP 52 HA ASP 52 -4.175 -13.660 8.425 447 HB2 ASP 52 1HB ASP 52 -4.563 -15.509 6.835 448 HB3 ASP 52 2HB ASP 52 -2.820 -15.820 6.775 449 H ILE 53 H ILE 53 -2.997 -14.804 10.247 450 HA ILE 53 HA ILE 53 -0.560 -13.382 10.675 451 HB ILE 53 HB ILE 53 -2.243 -14.053 12.365 452 HG12 ILE 53 1HG1 ILE 53 -0.563 -14.615 14.151 453 HG13 ILE 53 2HG1 ILE 53 0.626 -14.854 12.883 454 HG21 ILE 53 1HG2 ILE 53 -2.598 -16.386 11.661 455 HG22 ILE 53 2HG2 ILE 53 -0.960 -16.798 12.232 456 HG23 ILE 53 3HG2 ILE 53 -2.201 -16.255 13.385 457 HD11 ILE 53 3HD1 ILE 53 0.619 -12.536 12.297 458 HD12 ILE 53 1HD1 ILE 53 -0.798 -12.225 13.329 459 HD13 ILE 53 2HD1 ILE 53 0.765 -12.648 14.060 460 H LYS 54 H LYS 54 -1.228 -16.629 9.428 461 HA LYS 54 HA LYS 54 1.483 -17.611 9.740 462 HB2 LYS 54 1HB LYS 54 -0.677 -18.261 7.703 463 HB3 LYS 54 2HB LYS 54 0.850 -19.143 7.846 464 HG2 LYS 54 1HG LYS 54 0.274 -19.951 10.050 465 HG3 LYS 54 2HG LYS 54 -1.115 -18.862 10.148 466 HD2 LYS 54 1HD LYS 54 -1.974 -21.050 9.677 467 HD3 LYS 54 2HD LYS 54 -2.168 -20.063 8.223 468 HE2 LYS 54 1HE LYS 54 -1.411 -22.251 7.550 469 HE3 LYS 54 2HE LYS 54 -0.077 -21.113 7.288 470 HZ1 LYS 54 3HZ LYS 54 -0.349 -22.940 9.610 471 HZ2 LYS 54 1HZ LYS 54 0.899 -21.888 9.370 472 HZ3 LYS 54 2HZ LYS 54 0.679 -23.155 8.337 473 H ARG 55 H ARG 55 -0.109 -15.507 7.401 474 HA ARG 55 HA ARG 55 2.148 -15.546 5.523 475 HB2 ARG 55 1HB ARG 55 -0.134 -13.542 5.715 476 HB3 ARG 55 2HB ARG 55 0.901 -13.824 4.321 477 HG2 ARG 55 1HG ARG 55 -0.697 -16.179 5.287 478 HG3 ARG 55 2HG ARG 55 -1.607 -14.835 4.598 479 HD2 ARG 55 1HD ARG 55 -0.301 -14.961 2.532 480 HD3 ARG 55 2HD ARG 55 0.664 -16.270 3.214 481 HE ARG 55 HE ARG 55 -1.999 -17.090 3.404 482 HH11 ARG 55 1HH1 ARG 55 0.257 -16.343 0.776 483 HH12 ARG 55 2HH1 ARG 55 -0.602 -17.380 -0.343 484 HH21 ARG 55 1HH2 ARG 55 -2.994 -18.402 1.912 485 HH22 ARG 55 2HH2 ARG 55 -2.379 -18.520 0.288 486 H TRP 56 H TRP 56 0.815 -13.436 8.063 487 HA TRP 56 HA TRP 56 2.661 -11.289 7.703 488 HB2 TRP 56 1HB TRP 56 0.466 -11.144 8.826 489 HB3 TRP 56 2HB TRP 56 1.102 -12.099 10.172 490 HD1 TRP 56 HD1 TRP 56 2.047 -10.698 12.115 491 HE1 TRP 56 HE1 TRP 56 2.925 -8.332 12.491 492 HE3 TRP 56 HE3 TRP 56 1.771 -9.081 7.273 493 HZ2 TRP 56 HZ2 TRP 56 3.480 -6.055 10.885 494 HZ3 TRP 56 HZ3 TRP 56 2.515 -6.761 6.751 495 HH2 TRP 56 HH2 TRP 56 3.355 -5.261 8.561 496 H ARG 57 H ARG 57 2.909 -14.235 9.714 497 HA ARG 57 HA ARG 57 5.049 -13.255 11.340 498 HB2 ARG 57 1HB ARG 57 4.160 -16.016 10.539 499 HB3 ARG 57 2HB ARG 57 5.588 -15.763 11.559 500 HG2 ARG 57 1HG ARG 57 4.329 -14.838 13.327 501 HG3 ARG 57 2HG ARG 57 2.938 -14.495 12.286 502 HD2 ARG 57 1HD ARG 57 2.523 -16.893 12.016 503 HD3 ARG 57 2HD ARG 57 3.912 -17.250 13.060 504 HE ARG 57 HE ARG 57 1.975 -15.502 14.339 505 HH11 ARG 57 1HH1 ARG 57 2.609 -18.900 13.657 506 HH12 ARG 57 2HH1 ARG 57 1.528 -19.447 14.911 507 HH21 ARG 57 1HH2 ARG 57 0.559 -16.274 15.907 508 HH22 ARG 57 2HH2 ARG 57 0.423 -17.992 16.166 509 H ARG 58 H ARG 58 5.034 -14.887 8.210 510 HA ARG 58 HA ARG 58 7.829 -15.108 7.807 511 HB2 ARG 58 1HB ARG 58 5.591 -14.541 5.849 512 HB3 ARG 58 2HB ARG 58 7.247 -14.892 5.364 513 HG2 ARG 58 1HG ARG 58 7.135 -17.116 6.124 514 HG3 ARG 58 2HG ARG 58 5.680 -16.810 7.099 515 HD2 ARG 58 1HD ARG 58 5.147 -18.021 5.007 516 HD3 ARG 58 2HD ARG 58 4.356 -16.437 5.108 517 HE ARG 58 HE ARG 58 6.923 -16.533 3.659 518 HH11 ARG 58 1HH1 ARG 58 3.409 -16.451 3.405 519 HH12 ARG 58 2HH1 ARG 58 3.440 -15.914 1.736 520 HH21 ARG 58 1HH2 ARG 58 6.873 -15.849 1.514 521 HH22 ARG 58 2HH2 ARG 58 5.330 -15.590 0.710 522 H VAL 59 H VAL 59 5.804 -12.220 7.668 523 HA VAL 59 HA VAL 59 7.653 -10.627 6.126 524 HB VAL 59 HB VAL 59 5.558 -9.764 8.173 525 HG11 VAL 59 1HG1 VAL 59 6.868 -8.179 5.959 526 HG12 VAL 59 2HG1 VAL 59 5.580 -7.623 7.056 527 HG13 VAL 59 3HG1 VAL 59 7.184 -8.001 7.699 528 HG21 VAL 59 3HG2 VAL 59 5.389 -10.106 5.168 529 HG22 VAL 59 1HG2 VAL 59 4.552 -11.075 6.401 530 HG23 VAL 59 2HG2 VAL 59 4.133 -9.367 6.190 531 H GLY 60 H GLY 60 7.153 -11.301 9.578 532 HA2 GLY 60 1HA GLY 60 9.120 -9.365 10.428 533 HA3 GLY 60 2HA GLY 60 8.381 -10.650 11.407 534 H ASP 61 H ASP 61 9.092 -12.827 9.678 535 HA ASP 61 HA ASP 61 11.739 -13.432 10.550 536 HB2 ASP 61 1HB ASP 61 10.188 -14.565 8.178 537 HB3 ASP 61 2HB ASP 61 11.611 -15.303 8.920 538 H CYS 62 H CYS 62 10.389 -12.095 7.541 539 HA CYS 62 HA CYS 62 12.810 -11.968 6.043 540 HB2 CYS 62 1HB CYS 62 10.226 -11.520 5.483 541 HB3 CYS 62 2HB CYS 62 10.714 -9.851 5.746 542 HG CYS 62 HG CYS 62 10.760 -10.028 3.266 543 H PHE 63 H PHE 63 11.226 -9.560 8.212 544 HA PHE 63 HA PHE 63 13.125 -7.472 7.699 545 HB2 PHE 63 1HB PHE 63 11.584 -8.086 10.247 546 HB3 PHE 63 2HB PHE 63 12.485 -6.608 9.955 547 HD1 PHE 63 HD1 PHE 63 11.557 -6.402 6.902 548 HD2 PHE 63 HD2 PHE 63 9.505 -6.910 10.656 549 HE1 PHE 63 HE1 PHE 63 9.559 -5.269 5.962 550 HE2 PHE 63 HE2 PHE 63 7.504 -5.775 9.714 551 HZ PHE 63 HZ PHE 63 7.534 -4.939 7.373 552 H GLN 64 H GLN 64 13.067 -10.212 9.981 553 HA GLN 64 HA GLN 64 15.339 -9.343 11.488 554 HB2 GLN 64 1HB GLN 64 13.648 -11.060 12.181 555 HB3 GLN 64 2HB GLN 64 14.355 -12.179 11.013 556 HG2 GLN 64 1HG GLN 64 16.490 -12.107 12.210 557 HG3 GLN 64 2HG GLN 64 15.819 -10.938 13.359 558 HE21 GLN 64 2HE2 GLN 64 15.961 -14.266 12.383 559 HE22 GLN 64 1HE2 GLN 64 15.055 -14.906 13.731 560 H ASP 65 H ASP 65 15.000 -11.501 8.641 561 HA ASP 65 HA ASP 65 17.774 -12.195 8.540 562 HB2 ASP 65 1HB ASP 65 15.755 -13.250 7.378 563 HB3 ASP 65 2HB ASP 65 15.911 -11.983 6.162 564 H TYR 66 H TYR 66 15.870 -9.650 6.894 565 HA TYR 66 HA TYR 66 18.060 -8.614 5.373 566 HB2 TYR 66 1HB TYR 66 15.457 -8.214 5.281 567 HB3 TYR 66 2HB TYR 66 15.814 -6.878 6.375 568 HD1 TYR 66 HD1 TYR 66 17.558 -5.103 5.543 569 HD2 TYR 66 HD2 TYR 66 15.776 -8.043 2.954 570 HE1 TYR 66 HE1 TYR 66 18.141 -3.720 3.548 571 HE2 TYR 66 HE2 TYR 66 16.372 -6.650 0.971 572 HH TYR 66 HH TYR 66 17.946 -3.470 1.286 573 H PHE 67 H PHE 67 16.866 -8.010 8.678 574 HA PHE 67 HA PHE 67 18.609 -5.747 9.194 575 HB2 PHE 67 1HB PHE 67 16.593 -6.325 10.537 576 HB3 PHE 67 2HB PHE 67 17.432 -7.754 11.149 577 HD1 PHE 67 HD1 PHE 67 19.380 -7.504 12.692 578 HD2 PHE 67 HD2 PHE 67 17.065 -4.124 11.382 579 HE1 PHE 67 HE1 PHE 67 20.347 -6.130 14.531 580 HE2 PHE 67 HE2 PHE 67 17.997 -2.756 13.225 581 HZ PHE 67 HZ PHE 67 19.657 -3.747 14.802 582 H ASN 68 H ASN 68 18.961 -9.302 9.591 583 HA ASN 68 HA ASN 68 21.501 -9.126 10.952 584 HB2 ASN 68 1HB ASN 68 20.279 -11.326 9.228 585 HB3 ASN 68 2HB ASN 68 21.788 -11.498 10.132 586 HD21 ASN 68 2HD2 ASN 68 19.304 -12.985 10.369 587 HD22 ASN 68 1HD2 ASN 68 18.807 -12.792 12.034 588 H THR 69 H THR 69 20.491 -9.124 7.571 589 HA THR 69 HA THR 69 23.111 -9.553 6.476 590 HB THR 69 HB THR 69 20.680 -8.208 5.187 591 HG1 THR 69 HG1 THR 69 20.214 -10.324 5.948 592 HG21 THR 69 1HG2 THR 69 21.671 -9.091 3.079 593 HG22 THR 69 2HG2 THR 69 23.110 -9.599 3.990 594 HG23 THR 69 3HG2 THR 69 22.706 -7.871 3.851 595 H PHE 70 H PHE 70 21.208 -6.535 7.048 596 HA PHE 70 HA PHE 70 23.728 -5.067 6.404 597 HB2 PHE 70 1HB PHE 70 21.207 -5.032 5.072 598 HB3 PHE 70 2HB PHE 70 21.541 -3.440 5.742 599 HD1 PHE 70 HD2 PHE 70 24.136 -2.677 5.430 600 HD2 PHE 70 HD1 PHE 70 21.985 -5.433 2.916 601 HE1 PHE 70 HE2 PHE 70 25.730 -2.211 3.572 602 HE2 PHE 70 HE1 PHE 70 23.574 -4.976 1.049 603 HZ PHE 70 HZ PHE 70 25.452 -3.361 1.372 604 H GLY 71 H GLY 71 21.842 -5.571 9.034 605 HA2 GLY 71 1HA GLY 71 22.038 -4.485 11.051 606 HA3 GLY 71 2HA GLY 71 23.013 -3.241 10.270 607 HA PRO 72 HA PRO 72 18.913 -1.523 11.627 608 HB2 PRO 72 1HB PRO 72 19.854 0.576 13.089 609 HB3 PRO 72 2HB PRO 72 19.744 -1.085 13.755 610 HG2 PRO 72 1HG PRO 72 22.114 0.290 12.518 611 HG3 PRO 72 2HG PRO 72 21.994 -0.540 14.104 612 HD2 PRO 72 1HD PRO 72 22.985 -1.808 11.952 613 HD3 PRO 72 2HD PRO 72 21.912 -2.673 13.109 614 H GLU 73 H GLU 73 21.622 -0.374 9.873 615 HA GLU 73 HA GLU 73 20.660 2.233 9.163 616 HB2 GLU 73 1HB GLU 73 22.517 0.377 7.624 617 HB3 GLU 73 2HB GLU 73 22.375 2.128 7.426 618 HG2 GLU 73 1HG GLU 73 23.444 0.628 9.842 619 HG3 GLU 73 2HG GLU 73 24.371 1.616 8.700 620 H LYS 74 H LYS 74 19.751 -0.957 8.192 621 HA LYS 74 HA LYS 74 18.416 0.163 5.748 622 HB2 LYS 74 1HB LYS 74 19.798 -2.391 6.312 623 HB3 LYS 74 2HB LYS 74 18.299 -2.514 5.390 624 HG2 LYS 74 1HG LYS 74 20.106 -2.342 3.814 625 HG3 LYS 74 2HG LYS 74 19.184 -0.831 3.762 626 HD2 LYS 74 1HD LYS 74 20.912 0.235 5.234 627 HD3 LYS 74 2HD LYS 74 21.849 -1.264 5.190 628 HE2 LYS 74 1HE LYS 74 21.101 0.483 2.813 629 HE3 LYS 74 2HE LYS 74 22.695 0.402 3.588 630 HZ1 LYS 74 3HZ LYS 74 22.612 -0.960 1.606 631 HZ2 LYS 74 1HZ LYS 74 21.351 -1.841 2.199 632 HZ3 LYS 74 2HZ LYS 74 22.827 -1.924 2.928 633 H VAL 75 H VAL 75 17.901 -1.956 8.603 634 HA VAL 75 HA VAL 75 14.978 -1.427 8.143 635 HB VAL 75 HB VAL 75 16.278 -3.881 9.449 636 HG11 VAL 75 1HG1 VAL 75 14.199 -3.316 10.608 637 HG12 VAL 75 2HG1 VAL 75 13.331 -3.206 9.057 638 HG13 VAL 75 3HG1 VAL 75 13.960 -4.770 9.626 639 HG21 VAL 75 3HG2 VAL 75 16.432 -4.014 7.029 640 HG22 VAL 75 1HG2 VAL 75 15.215 -5.160 7.612 641 HG23 VAL 75 2HG2 VAL 75 14.706 -3.632 6.858 642 HA PRO 76 HA PRO 76 16.034 0.420 12.027 643 HB2 PRO 76 1HB PRO 76 13.668 1.489 12.823 644 HB3 PRO 76 2HB PRO 76 14.598 2.171 11.465 645 HG2 PRO 76 1HG PRO 76 12.248 0.333 11.393 646 HG3 PRO 76 2HG PRO 76 12.545 1.817 10.445 647 HD2 PRO 76 1HD PRO 76 13.020 -0.709 9.474 648 HD3 PRO 76 2HD PRO 76 13.973 0.729 8.968 649 H VAL 77 H VAL 77 15.824 -0.109 14.285 650 HA VAL 77 HA VAL 77 14.816 -2.726 14.833 651 HB VAL 77 HB VAL 77 15.243 -2.178 17.225 652 HG11 VAL 77 1HG1 VAL 77 17.478 -1.273 15.355 653 HG12 VAL 77 2HG1 VAL 77 17.667 -1.877 17.017 654 HG13 VAL 77 3HG1 VAL 77 17.072 -2.961 15.743 655 HG21 VAL 77 3HG2 VAL 77 15.982 0.608 16.197 656 HG22 VAL 77 1HG2 VAL 77 14.574 0.215 17.216 657 HG23 VAL 77 2HG2 VAL 77 16.215 0.004 17.849 658 H THR 78 H THR 78 13.260 0.392 14.778 659 HA THR 78 HA THR 78 11.066 -0.402 16.495 660 HB THR 78 HB THR 78 11.785 2.005 15.919 661 HG1 THR 78 HG1 THR 78 9.653 2.679 16.271 662 HG21 THR 78 1HG2 THR 78 11.593 1.694 13.423 663 HG22 THR 78 2HG2 THR 78 10.750 3.101 14.091 664 HG23 THR 78 3HG2 THR 78 9.833 1.645 13.657 665 H ALA 79 H ALA 79 11.894 -1.091 13.176 666 HA ALA 79 HA ALA 79 9.227 -1.346 12.163 667 HB1 ALA 79 3HB ALA 79 10.257 -2.901 10.517 668 HB2 ALA 79 1HB ALA 79 11.147 -1.374 10.686 669 HB3 ALA 79 2HB ALA 79 11.769 -2.850 11.456 670 H PHE 80 H PHE 80 11.280 -3.494 14.124 671 HA PHE 80 HA PHE 80 9.509 -5.765 13.946 672 HB2 PHE 80 1HB PHE 80 11.549 -5.001 16.063 673 HB3 PHE 80 2HB PHE 80 10.796 -6.591 15.881 674 HD1 PHE 80 HD1 PHE 80 11.311 -8.009 13.909 675 HD2 PHE 80 HD2 PHE 80 13.362 -4.299 14.627 676 HE1 PHE 80 HE1 PHE 80 13.075 -8.680 12.313 677 HE2 PHE 80 HE2 PHE 80 15.130 -4.948 13.007 678 HZ PHE 80 HZ PHE 80 14.982 -7.146 11.833 679 H SER 81 H SER 81 9.643 -2.902 15.969 680 HA SER 81 HA SER 81 7.835 -3.912 18.019 681 HB2 SER 81 1HB SER 81 9.447 -2.051 18.431 682 HB3 SER 81 2HB SER 81 8.549 -1.040 17.278 683 HG SER 81 HG SER 81 7.922 -0.691 19.467 684 H TYR 82 H TYR 82 7.613 -1.792 15.159 685 HA TYR 82 HA TYR 82 4.793 -1.359 15.242 686 HB2 TYR 82 1HB TYR 82 6.987 -1.208 13.209 687 HB3 TYR 82 2HB TYR 82 5.333 -1.327 12.597 688 HD1 TYR 82 HD2 TYR 82 3.708 0.412 12.951 689 HD2 TYR 82 HD1 TYR 82 7.711 0.841 14.487 690 HE1 TYR 82 HE2 TYR 82 3.328 2.860 13.314 691 HE2 TYR 82 HE1 TYR 82 7.312 3.276 14.835 692 HH TYR 82 HH TYR 82 4.237 4.849 13.923 693 H TRP 83 H TRP 83 6.808 -3.885 13.704 694 HA TRP 83 HA TRP 83 4.740 -5.228 12.364 695 HB2 TRP 83 1HB TRP 83 7.094 -5.711 11.970 696 HB3 TRP 83 2HB TRP 83 7.315 -6.203 13.638 697 HD1 TRP 83 HD1 TRP 83 5.716 -7.531 10.398 698 HE1 TRP 83 HE1 TRP 83 5.367 -10.047 10.575 699 HE3 TRP 83 HE3 TRP 83 7.113 -8.070 15.282 700 HZ2 TRP 83 HZ2 TRP 83 5.719 -12.047 12.588 701 HZ3 TRP 83 HZ3 TRP 83 7.104 -10.355 16.291 702 HH2 TRP 83 HH2 TRP 83 6.412 -12.331 14.932 703 H ASN 84 H ASN 84 5.812 -5.468 15.740 704 HA ASN 84 HA ASN 84 4.318 -7.826 16.387 705 HB2 ASN 84 1HB ASN 84 5.750 -5.700 17.892 706 HB3 ASN 84 2HB ASN 84 4.471 -6.548 18.771 707 HD21 ASN 84 2HD2 ASN 84 7.676 -6.693 17.609 708 HD22 ASN 84 1HD2 ASN 84 8.014 -8.332 18.122 709 H LEU 85 H LEU 85 3.472 -4.392 16.290 710 HA LEU 85 HA LEU 85 1.007 -4.590 17.745 711 HB2 LEU 85 1HB LEU 85 2.200 -2.461 17.172 712 HB3 LEU 85 2HB LEU 85 1.793 -2.723 15.482 713 HG LEU 85 HG LEU 85 -0.683 -2.739 16.320 714 HD11 LEU 85 1HD1 LEU 85 -1.031 -1.235 18.234 715 HD12 LEU 85 2HD1 LEU 85 0.724 -1.187 18.520 716 HD13 LEU 85 3HD1 LEU 85 -0.171 -2.715 18.713 717 HD21 LEU 85 3HD2 LEU 85 -0.755 -0.303 15.978 718 HD22 LEU 85 1HD2 LEU 85 0.278 -1.118 14.789 719 HD23 LEU 85 2HD2 LEU 85 1.016 -0.230 16.147 720 H ILE 86 H ILE 86 1.758 -4.776 14.213 721 HA ILE 86 HA ILE 86 -1.031 -5.229 13.572 722 HB ILE 86 HB ILE 86 1.477 -5.744 11.913 723 HG12 ILE 86 1HG1 ILE 86 0.231 -3.795 10.598 724 HG13 ILE 86 2HG1 ILE 86 -0.475 -3.454 12.176 725 HG21 ILE 86 1HG2 ILE 86 -0.150 -5.838 9.982 726 HG22 ILE 86 2HG2 ILE 86 -0.292 -7.199 11.102 727 HG23 ILE 86 3HG2 ILE 86 -1.484 -5.882 11.176 728 HD11 ILE 86 3HD1 ILE 86 1.626 -2.150 11.479 729 HD12 ILE 86 1HD1 ILE 86 1.626 -2.874 13.097 730 HD13 ILE 86 2HD1 ILE 86 2.525 -3.655 11.775 731 H LYS 87 H LYS 87 1.715 -7.254 14.498 732 HA LYS 87 HA LYS 87 0.641 -9.749 13.663 733 HB2 LYS 87 1HB LYS 87 2.769 -10.127 14.304 734 HB3 LYS 87 2HB LYS 87 2.760 -8.786 15.433 735 HG2 LYS 87 1HG LYS 87 1.616 -10.193 17.112 736 HG3 LYS 87 2HG LYS 87 1.701 -11.561 15.986 737 HD2 LYS 87 1HD LYS 87 4.102 -11.540 16.059 738 HD3 LYS 87 2HD LYS 87 4.107 -9.973 16.885 739 HE2 LYS 87 1HE LYS 87 2.887 -11.061 18.804 740 HE3 LYS 87 2HE LYS 87 3.178 -12.630 18.018 741 HZ1 LYS 87 3HZ LYS 87 5.280 -10.689 18.826 742 HZ2 LYS 87 1HZ LYS 87 5.555 -12.169 18.145 743 HZ3 LYS 87 2HZ LYS 87 4.896 -12.066 19.655 744 H GLU 88 H GLU 88 0.164 -7.970 16.813 745 HA GLU 88 HA GLU 88 -1.526 -10.121 17.767 746 HB2 GLU 88 1HB GLU 88 -2.177 -8.660 19.568 747 HB3 GLU 88 2HB GLU 88 -0.430 -8.582 19.333 748 HG2 GLU 88 1HG GLU 88 -0.628 -6.442 18.225 749 HG3 GLU 88 2HG GLU 88 -2.394 -6.513 18.312 750 H LEU 89 H LEU 89 -2.104 -7.218 15.823 751 HA LEU 89 HA LEU 89 -4.921 -7.156 16.033 752 HB2 LEU 89 1HB LEU 89 -2.859 -6.065 14.261 753 HB3 LEU 89 2HB LEU 89 -4.372 -6.412 13.432 754 HG LEU 89 HG LEU 89 -5.544 -5.079 15.191 755 HD11 LEU 89 1HD1 LEU 89 -4.322 -3.438 16.502 756 HD12 LEU 89 2HD1 LEU 89 -2.777 -4.071 15.894 757 HD13 LEU 89 3HD1 LEU 89 -3.800 -5.074 16.944 758 HD21 LEU 89 3HD2 LEU 89 -5.061 -4.211 12.943 759 HD22 LEU 89 1HD2 LEU 89 -3.470 -3.639 13.501 760 HD23 LEU 89 2HD2 LEU 89 -4.960 -2.917 14.154 761 H ILE 90 H ILE 90 -2.804 -8.922 13.731 762 HA ILE 90 HA ILE 90 -5.157 -10.083 12.447 763 HB ILE 90 HB ILE 90 -2.244 -10.917 12.134 764 HG12 ILE 90 1HG1 ILE 90 -3.849 -9.097 10.301 765 HG13 ILE 90 2HG1 ILE 90 -2.800 -8.463 11.569 766 HG21 ILE 90 1HG2 ILE 90 -3.957 -12.579 11.323 767 HG22 ILE 90 2HG2 ILE 90 -4.681 -11.307 10.318 768 HG23 ILE 90 3HG2 ILE 90 -3.035 -11.875 9.986 769 HD11 ILE 90 3HD1 ILE 90 -1.894 -10.212 9.254 770 HD12 ILE 90 1HD1 ILE 90 -1.628 -8.466 9.434 771 HD13 ILE 90 2HD1 ILE 90 -0.860 -9.601 10.567 772 H ASP 91 H ASP 91 -2.692 -11.189 14.814 773 HA ASP 91 HA ASP 91 -3.375 -13.951 14.740 774 HB2 ASP 91 1HB ASP 91 -1.373 -12.823 15.860 775 HB3 ASP 91 2HB ASP 91 -2.447 -12.434 17.210 776 H LYS 92 H LYS 92 -4.820 -11.216 16.499 777 HA LYS 92 HA LYS 92 -6.921 -13.119 17.472 778 HB2 LYS 92 1HB LYS 92 -5.937 -10.502 18.642 779 HB3 LYS 92 2HB LYS 92 -7.369 -11.362 19.223 780 HG2 LYS 92 1HG LYS 92 -4.642 -12.686 19.110 781 HG3 LYS 92 2HG LYS 92 -5.189 -11.749 20.509 782 HD2 LYS 92 1HD LYS 92 -6.645 -13.348 21.199 783 HD3 LYS 92 2HD LYS 92 -7.150 -13.774 19.559 784 HE2 LYS 92 1HE LYS 92 -4.392 -14.539 20.525 785 HE3 LYS 92 2HE LYS 92 -5.807 -15.501 21.002 786 HZ1 LYS 92 3HZ LYS 92 -5.027 -14.924 18.200 787 HZ2 LYS 92 1HZ LYS 92 -6.323 -15.840 18.677 788 HZ3 LYS 92 2HZ LYS 92 -4.779 -16.346 18.983 789 H LYS 93 H LYS 93 -6.833 -11.903 14.788 790 HA LYS 93 HA LYS 93 -8.767 -9.766 14.729 791 HB2 LYS 93 1HB LYS 93 -8.939 -10.103 12.398 792 HB3 LYS 93 2HB LYS 93 -7.256 -10.349 12.839 793 HG2 LYS 93 1HG LYS 93 -7.646 -12.834 12.735 794 HG3 LYS 93 2HG LYS 93 -9.289 -12.505 12.153 795 HD2 LYS 93 1HD LYS 93 -8.359 -11.240 10.240 796 HD3 LYS 93 2HD LYS 93 -6.725 -11.542 10.841 797 HE2 LYS 93 1HE LYS 93 -7.101 -13.103 9.081 798 HE3 LYS 93 2HE LYS 93 -7.169 -14.019 10.601 799 HZ1 LYS 93 3HZ LYS 93 -8.973 -14.597 9.078 800 HZ2 LYS 93 1HZ LYS 93 -9.530 -13.043 9.087 801 HZ3 LYS 93 2HZ LYS 93 -9.579 -13.944 10.468 802 H GLU 94 H GLU 94 -8.961 -13.110 15.296 803 HA GLU 94 HA GLU 94 -11.568 -13.780 14.457 804 HB2 GLU 94 1HB GLU 94 -11.326 -15.572 16.212 805 HB3 GLU 94 2HB GLU 94 -9.986 -15.455 15.062 806 HG2 GLU 94 1HG GLU 94 -8.668 -14.167 16.752 807 HG3 GLU 94 2HG GLU 94 -9.979 -14.376 17.910 808 H VAL 95 H VAL 95 -10.545 -11.954 17.320 809 HA VAL 95 HA VAL 95 -13.414 -11.916 18.197 810 HB VAL 95 HB VAL 95 -12.538 -11.429 20.500 811 HG11 VAL 95 1HG1 VAL 95 -11.906 -13.734 21.031 812 HG12 VAL 95 2HG1 VAL 95 -13.215 -13.715 19.831 813 HG13 VAL 95 3HG1 VAL 95 -11.551 -14.060 19.322 814 HG21 VAL 95 3HG2 VAL 95 -9.816 -12.217 19.342 815 HG22 VAL 95 1HG2 VAL 95 -10.285 -10.569 19.833 816 HG23 VAL 95 2HG2 VAL 95 -10.184 -11.861 21.042 817 H ASN 96 H ASN 96 -11.476 -10.181 16.409 818 HA ASN 96 HA ASN 96 -12.323 -7.571 17.630 819 HB2 ASN 96 1HB ASN 96 -9.696 -8.394 16.391 820 HB3 ASN 96 2HB ASN 96 -10.235 -6.711 16.348 821 HD21 ASN 96 2HD2 ASN 96 -8.813 -9.170 18.239 822 HD22 ASN 96 1HD2 ASN 96 -8.668 -8.222 19.707 823 HA PRO 97 HA PRO 97 -14.039 -8.167 13.432 824 HB2 PRO 97 1HB PRO 97 -16.329 -6.679 13.703 825 HB3 PRO 97 2HB PRO 97 -16.188 -8.378 14.259 826 HG2 PRO 97 1HG PRO 97 -15.851 -5.848 15.855 827 HG3 PRO 97 2HG PRO 97 -16.874 -7.277 16.211 828 HD2 PRO 97 1HD PRO 97 -14.450 -7.001 17.341 829 HD3 PRO 97 2HD PRO 97 -15.011 -8.611 16.765 830 H GLN 98 H GLN 98 -13.395 -5.213 15.253 831 HA GLN 98 HA GLN 98 -13.680 -3.291 13.182 832 HB2 GLN 98 1HB GLN 98 -11.992 -3.562 15.672 833 HB3 GLN 98 2HB GLN 98 -11.573 -2.308 14.504 834 HG2 GLN 98 1HG GLN 98 -12.930 -1.350 16.206 835 HG3 GLN 98 2HG GLN 98 -13.823 -1.375 14.682 836 HE21 GLN 98 2HE2 GLN 98 -15.846 -1.271 15.607 837 HE22 GLN 98 1HE2 GLN 98 -16.525 -2.606 16.521 838 H VAL 99 H VAL 99 -10.976 -5.387 14.184 839 HA VAL 99 HA VAL 99 -9.366 -4.234 12.076 840 HB VAL 99 HB VAL 99 -7.487 -5.268 12.993 841 HG11 VAL 99 1HG1 VAL 99 -9.366 -4.906 15.384 842 HG12 VAL 99 2HG1 VAL 99 -7.602 -4.813 15.404 843 HG13 VAL 99 3HG1 VAL 99 -8.535 -3.589 14.525 844 HG21 VAL 99 3HG2 VAL 99 -7.664 -7.152 14.681 845 HG22 VAL 99 1HG2 VAL 99 -9.357 -7.322 14.186 846 HG23 VAL 99 2HG2 VAL 99 -8.063 -7.565 13.004 847 H MET 100 H MET 100 -11.160 -7.237 12.632 848 HA MET 100 HA MET 100 -10.079 -8.736 10.483 849 HB2 MET 100 1HB MET 100 -12.043 -9.052 12.379 850 HB3 MET 100 2HB MET 100 -12.988 -8.960 10.910 851 HG2 MET 100 1HG MET 100 -10.850 -10.954 11.653 852 HG3 MET 100 2HG MET 100 -12.556 -11.268 11.366 853 HE1 MET 100 3HE MET 100 -13.262 -9.869 8.580 854 HE2 MET 100 1HE MET 100 -12.858 -11.195 7.467 855 HE3 MET 100 2HE MET 100 -13.670 -11.548 9.011 856 H ALA 101 H ALA 101 -12.709 -6.288 10.562 857 HA ALA 101 HA ALA 101 -13.399 -6.578 7.789 858 HB1 ALA 101 3HB ALA 101 -14.449 -4.347 8.086 859 HB2 ALA 101 1HB ALA 101 -14.870 -5.465 9.404 860 HB3 ALA 101 2HB ALA 101 -13.651 -4.200 9.670 861 H ALA 102 H ALA 102 -10.800 -4.869 9.467 862 HA ALA 102 HA ALA 102 -10.095 -3.221 7.173 863 HB1 ALA 102 3HB ALA 102 -8.409 -3.888 9.632 864 HB2 ALA 102 1HB ALA 102 -8.231 -2.500 8.543 865 HB3 ALA 102 2HB ALA 102 -9.644 -2.611 9.610 866 H VAL 103 H VAL 103 -9.194 -6.366 8.575 867 HA VAL 103 HA VAL 103 -6.878 -6.856 6.944 868 HB VAL 103 HB VAL 103 -8.907 -8.776 8.211 869 HG11 VAL 103 1HG1 VAL 103 -6.261 -9.381 6.880 870 HG12 VAL 103 2HG1 VAL 103 -7.123 -10.518 7.929 871 HG13 VAL 103 3HG1 VAL 103 -7.861 -9.980 6.410 872 HG21 VAL 103 3HG2 VAL 103 -7.481 -7.308 9.739 873 HG22 VAL 103 1HG2 VAL 103 -7.332 -9.046 9.999 874 HG23 VAL 103 2HG2 VAL 103 -6.063 -8.165 9.113 875 H ALA 104 H ALA 104 -10.341 -7.700 6.574 876 HA ALA 104 HA ALA 104 -10.049 -8.936 4.028 877 HB1 ALA 104 3HB ALA 104 -12.460 -7.483 5.213 878 HB2 ALA 104 1HB ALA 104 -12.492 -8.641 3.861 879 HB3 ALA 104 2HB ALA 104 -12.035 -9.189 5.492 880 H GLN 105 H GLN 105 -10.799 -5.531 4.943 881 HA GLN 105 HA GLN 105 -11.132 -4.632 2.255 882 HB2 GLN 105 1HB GLN 105 -10.461 -3.296 4.874 883 HB3 GLN 105 2HB GLN 105 -10.264 -2.401 3.355 884 HG2 GLN 105 1HG GLN 105 -12.674 -3.136 2.816 885 HG3 GLN 105 2HG GLN 105 -12.799 -3.519 4.539 886 HE21 GLN 105 2HE2 GLN 105 -13.418 -1.905 5.843 887 HE22 GLN 105 1HE2 GLN 105 -13.335 -0.197 5.448 888 H THR 106 H THR 106 -8.164 -4.980 4.274 889 HA THR 106 HA THR 106 -6.530 -3.545 2.399 890 HB THR 106 HB THR 106 -5.629 -5.758 4.289 891 HG1 THR 106 HG1 THR 106 -6.730 -4.119 5.412 892 HG21 THR 106 1HG2 THR 106 -3.525 -4.353 4.272 893 HG22 THR 106 2HG2 THR 106 -4.221 -3.431 2.930 894 HG23 THR 106 3HG2 THR 106 -3.875 -5.156 2.730 895 H GLU 107 H GLU 107 -7.442 -7.021 2.726 896 HA GLU 107 HA GLU 107 -5.691 -7.962 0.686 897 HB2 GLU 107 1HB GLU 107 -8.410 -8.917 1.627 898 HB3 GLU 107 2HB GLU 107 -7.550 -9.671 0.289 899 HG2 GLU 107 1HG GLU 107 -5.587 -9.964 1.865 900 HG3 GLU 107 2HG GLU 107 -6.700 -9.532 3.173 901 H GLU 108 H GLU 108 -9.080 -6.727 0.426 902 HA GLU 108 HA GLU 108 -9.161 -7.157 -2.404 903 HB2 GLU 108 1HB GLU 108 -10.768 -5.228 -0.698 904 HB3 GLU 108 2HB GLU 108 -11.126 -5.675 -2.372 905 HG2 GLU 108 1HG GLU 108 -11.190 -7.464 0.070 906 HG3 GLU 108 2HG GLU 108 -12.551 -6.984 -0.949 907 H ILE 109 H ILE 109 -8.097 -4.347 -0.484 908 HA ILE 109 HA ILE 109 -7.848 -2.604 -2.779 909 HB ILE 109 HB ILE 109 -6.451 -2.565 -0.059 910 HG12 ILE 109 1HG1 ILE 109 -8.606 -0.716 -1.142 911 HG13 ILE 109 2HG1 ILE 109 -9.005 -2.204 -0.301 912 HG21 ILE 109 1HG2 ILE 109 -5.924 -0.122 -0.699 913 HG22 ILE 109 2HG2 ILE 109 -4.991 -1.349 -1.565 914 HG23 ILE 109 3HG2 ILE 109 -6.357 -0.552 -2.370 915 HD11 ILE 109 3HD1 ILE 109 -7.498 0.165 0.872 916 HD12 ILE 109 1HD1 ILE 109 -9.140 -0.382 1.275 917 HD13 ILE 109 2HD1 ILE 109 -7.741 -1.390 1.706 918 H LEU 110 H LEU 110 -5.659 -4.947 -1.177 919 HA LEU 110 HA LEU 110 -3.377 -4.320 -2.829 920 HB2 LEU 110 1HB LEU 110 -4.207 -6.559 -1.029 921 HB3 LEU 110 2HB LEU 110 -2.939 -6.891 -2.196 922 HG LEU 110 HG LEU 110 -1.431 -5.394 -1.221 923 HD11 LEU 110 1HD1 LEU 110 -3.734 -4.158 0.331 924 HD12 LEU 110 2HD1 LEU 110 -2.693 -3.373 -0.866 925 HD13 LEU 110 3HD1 LEU 110 -2.036 -3.858 0.705 926 HD21 LEU 110 3HD2 LEU 110 -1.830 -7.469 0.047 927 HD22 LEU 110 1HD2 LEU 110 -3.053 -6.635 1.028 928 HD23 LEU 110 2HD2 LEU 110 -1.347 -6.142 1.124 929 H LYS 111 H LYS 111 -6.104 -6.585 -3.186 930 HA LYS 111 HA LYS 111 -5.107 -7.885 -5.553 931 HB2 LYS 111 1HB LYS 111 -7.853 -7.547 -4.403 932 HB3 LYS 111 2HB LYS 111 -7.526 -8.495 -5.863 933 HG2 LYS 111 1HG LYS 111 -6.224 -10.089 -4.689 934 HG3 LYS 111 2HG LYS 111 -6.015 -9.012 -3.298 935 HD2 LYS 111 1HD LYS 111 -8.491 -9.094 -2.996 936 HD3 LYS 111 2HD LYS 111 -8.517 -10.417 -4.169 937 HE2 LYS 111 1HE LYS 111 -7.037 -11.749 -2.726 938 HE3 LYS 111 2HE LYS 111 -6.827 -10.370 -1.637 939 HZ1 LYS 111 3HZ LYS 111 -9.333 -10.531 -1.303 940 HZ2 LYS 111 1HZ LYS 111 -8.396 -11.691 -0.582 941 HZ3 LYS 111 2HZ LYS 111 -9.230 -12.032 -1.971 942 H SER 112 H SER 112 -6.752 -4.853 -4.975 943 HA SER 112 HA SER 112 -7.472 -4.430 -7.784 944 HB2 SER 112 1HB SER 112 -8.765 -3.528 -5.831 945 HB3 SER 112 2HB SER 112 -7.398 -2.465 -5.467 946 HG SER 112 HG SER 112 -7.684 -1.835 -7.815 947 H ASN 113 H ASN 113 -4.724 -3.897 -5.771 948 HA ASN 113 HA ASN 113 -3.653 -1.647 -7.326 949 HB2 ASN 113 1HB ASN 113 -2.522 -3.394 -5.105 950 HB3 ASN 113 2HB ASN 113 -1.582 -2.131 -5.904 951 HD21 ASN 113 2HD2 ASN 113 -2.199 -2.238 -3.143 952 HD22 ASN 113 1HD2 ASN 113 -3.143 -0.812 -2.786 953 H SER 114 H SER 114 -1.291 -1.915 -8.137 954 HA SER 114 HA SER 114 -0.845 -4.609 -9.315 955 HB2 SER 114 1HB SER 114 -1.959 -3.295 -11.069 956 HB3 SER 114 2HB SER 114 -0.789 -1.977 -10.848 957 HG SER 114 HG SER 114 -0.395 -3.561 -12.607 958 H GLN 115 H GLN 115 1.300 -5.102 -9.645 959 HA GLN 115 HA GLN 115 3.222 -3.355 -8.192 960 HB2 GLN 115 1HB GLN 115 4.617 -5.366 -8.089 961 HB3 GLN 115 2HB GLN 115 3.007 -5.688 -7.440 962 HG2 GLN 115 1HG GLN 115 2.559 -7.265 -8.999 963 HG3 GLN 115 2HG GLN 115 3.239 -6.302 -10.318 964 HE21 GLN 115 2HE2 GLN 115 5.441 -6.433 -10.814 965 HE22 GLN 115 1HE2 GLN 115 6.403 -7.786 -10.251 966 H THR 116 H THR 116 2.178 -3.547 -11.223 967 HA THR 116 HA THR 116 2.910 -3.117 -13.293 968 HB THR 116 HB THR 116 5.573 -2.366 -12.067 969 HG1 THR 116 HG1 THR 116 3.360 -0.667 -12.558 970 HG21 THR 116 1HG2 THR 116 5.556 -0.714 -13.961 971 HG22 THR 116 2HG2 THR 116 4.114 -1.541 -14.599 972 HG23 THR 116 3HG2 THR 116 5.667 -2.406 -14.489 973 H ASP 117 H ASP 117 3.836 -4.143 -15.076 974 HA ASP 117 HA ASP 117 5.015 -6.769 -14.410 975 HB2 ASP 117 1HB ASP 117 4.537 -7.307 -16.760 976 HB3 ASP 117 2HB ASP 117 3.090 -6.746 -15.909 977 H LEU 118 H LEU 118 7.004 -7.392 -14.924 978 HA LEU 118 HA LEU 118 8.738 -6.062 -16.802 979 HB2 LEU 118 1HB LEU 118 10.458 -5.592 -14.924 980 HB3 LEU 118 2HB LEU 118 9.224 -4.404 -15.275 981 HG LEU 118 HG LEU 118 7.956 -5.154 -13.254 982 HD11 LEU 118 1HD1 LEU 118 10.488 -6.758 -12.710 983 HD12 LEU 118 2HD1 LEU 118 8.830 -7.385 -12.877 984 HD13 LEU 118 3HD1 LEU 118 9.245 -6.362 -11.493 985 HD21 LEU 118 3HD2 LEU 118 9.421 -3.181 -13.304 986 HD22 LEU 118 1HD2 LEU 118 10.812 -4.189 -12.834 987 HD23 LEU 118 2HD2 LEU 118 9.446 -3.962 -11.713 988 H GLU 119 H GLU 119 10.961 -7.280 -16.597 989 HA GLU 119 HA GLU 119 10.352 -10.090 -16.348 990 HB2 GLU 119 1HB GLU 119 12.250 -8.777 -17.724 991 HB3 GLU 119 2HB GLU 119 13.195 -9.153 -16.280 992 HG2 GLU 119 1HG GLU 119 11.794 -11.106 -18.143 993 HG3 GLU 119 2HG GLU 119 13.541 -10.915 -17.915 994 H HIS 120 H HIS 120 10.400 -11.335 -14.594 995 HA HIS 120 HA HIS 120 12.121 -10.638 -12.306 996 HB2 HIS 120 1HB HIS 120 9.770 -9.433 -12.246 997 HB3 HIS 120 2HB HIS 120 9.181 -11.009 -11.723 998 HD1 HIS 120 HD1 HIS 120 10.538 -12.002 -9.496 999 HD2 HIS 120 HD2 HIS 120 10.790 -7.886 -10.241 1000 HE1 HIS 120 HE1 HIS 120 11.273 -10.889 -7.306 1001 H HIS 121 H HIS 121 12.112 -12.751 -14.190 1002 HA HIS 121 HA HIS 121 11.080 -15.005 -14.336 1003 HB2 HIS 121 1HB HIS 121 13.207 -16.292 -13.619 1004 HB3 HIS 121 2HB HIS 121 13.281 -15.096 -14.918 1005 HD1 HIS 121 HD1 HIS 121 14.096 -15.383 -11.177 1006 HD2 HIS 121 HD2 HIS 121 15.115 -13.093 -14.538 1007 HE1 HIS 121 HE1 HIS 121 16.058 -13.884 -10.495 1008 H HIS 122 H HIS 122 9.395 -15.665 -13.233 1009 HA HIS 122 HA HIS 122 9.811 -16.705 -10.449 1010 HB2 HIS 122 1HB HIS 122 8.458 -14.557 -10.761 1011 HB3 HIS 122 2HB HIS 122 7.297 -15.498 -11.694 1012 HD1 HIS 122 HD1 HIS 122 5.990 -17.476 -10.297 1013 HD2 HIS 122 HD2 HIS 122 8.051 -14.588 -8.052 1014 HE1 HIS 122 HE1 HIS 122 5.067 -17.569 -7.925 1015 H HIS 123 H HIS 123 9.130 -18.839 -10.154 1016 HA HIS 123 HA HIS 123 8.511 -20.430 -12.499 1017 HB2 HIS 123 1HB HIS 123 9.714 -21.347 -10.526 1018 HB3 HIS 123 2HB HIS 123 8.278 -21.079 -9.526 1019 HD1 HIS 123 HD1 HIS 123 9.204 -23.096 -12.710 1020 HD2 HIS 123 HD2 HIS 123 6.661 -23.275 -9.375 1021 HE1 HIS 123 HE1 HIS 123 8.020 -25.340 -12.806 1022 H HIS 124 H HIS 124 6.558 -21.095 -13.274 1023 HA HIS 124 HA HIS 124 4.094 -20.494 -11.682 1024 HB2 HIS 124 1HB HIS 124 4.513 -19.813 -14.627 1025 HB3 HIS 124 2HB HIS 124 2.980 -19.702 -13.752 1026 HD1 HIS 124 HD1 HIS 124 5.443 -17.496 -14.956 1027 HD2 HIS 124 HD2 HIS 124 3.574 -17.945 -11.258 1028 HE1 HIS 124 HE1 HIS 124 5.703 -15.303 -13.730 1029 H HIS 125 H HIS 125 5.579 -21.926 -14.568 1030 HA HIS 125 HA HIS 125 4.379 -24.531 -13.854 1031 HB2 HIS 125 1HB HIS 125 4.719 -23.496 -16.709 1032 HB3 HIS 125 2HB HIS 125 4.102 -25.078 -16.223 1033 HD1 HIS 125 HD1 HIS 125 1.918 -24.419 -14.215 1034 HD2 HIS 125 HD2 HIS 125 2.555 -22.131 -17.667 1035 HE1 HIS 125 HE1 HIS 125 -0.267 -23.199 -14.709 Start of MODEL 23 1 H21 MYR 1 1H2 MYR 1 1.483 0.329 -0.691 2 H22 MYR 1 2H2 MYR 1 2.171 -0.581 0.643 3 H31 MYR 1 1H3 MYR 1 -0.575 -1.185 -0.609 4 H32 MYR 1 2H3 MYR 1 0.899 -1.979 -1.118 5 H41 MYR 1 1H4 MYR 1 -0.092 -2.093 1.799 6 H42 MYR 1 2H4 MYR 1 -0.622 -3.226 0.567 7 H51 MYR 1 1H5 MYR 1 1.999 -3.608 0.165 8 H52 MYR 1 2H5 MYR 1 2.161 -2.939 1.781 9 H61 MYR 1 1H6 MYR 1 0.339 -5.347 1.152 10 H62 MYR 1 2H6 MYR 1 2.046 -5.514 1.492 11 H71 MYR 1 1H7 MYR 1 1.247 -5.896 3.609 12 H72 MYR 1 2H7 MYR 1 1.520 -4.165 3.733 13 H81 MYR 1 1H8 MYR 1 -0.899 -3.734 3.303 14 H82 MYR 1 2H8 MYR 1 -1.203 -5.441 3.030 15 H91 MYR 1 1H9 MYR 1 -1.665 -4.221 5.392 16 H92 MYR 1 2H9 MYR 1 0.023 -4.591 5.685 17 H101 MYR 1 1H10 MYR 1 -0.335 -6.984 5.442 18 H102 MYR 1 2H10 MYR 1 -1.960 -6.758 4.827 19 H111 MYR 1 1H11 MYR 1 -1.828 -7.541 7.240 20 H112 MYR 1 2H11 MYR 1 -1.085 -6.012 7.681 21 H121 MYR 1 1H12 MYR 1 -3.122 -4.761 7.054 22 H122 MYR 1 2H12 MYR 1 -3.845 -6.193 6.327 23 H131 MYR 1 1H13 MYR 1 -3.990 -7.292 8.560 24 H132 MYR 1 2H13 MYR 1 -3.216 -5.896 9.317 25 H141 MYR 1 1H14 MYR 1 -5.845 -5.714 7.743 26 H142 MYR 1 2H14 MYR 1 -5.757 -5.897 9.495 27 H143 MYR 1 3H14 MYR 1 -5.109 -4.438 8.731 28 H GLY 2 H GLY 2 2.202 0.913 2.168 29 HA2 GLY 2 1HA GLY 2 -0.069 1.524 3.748 30 HA3 GLY 2 2HA GLY 2 1.519 2.294 3.863 31 H GLN 3 H GLN 3 1.720 3.545 1.360 32 HA GLN 3 HA GLN 3 0.049 5.850 1.831 33 HB2 GLN 3 1HB GLN 3 1.607 5.090 -0.665 34 HB3 GLN 3 2HB GLN 3 0.890 6.671 -0.335 35 HG2 GLN 3 1HG GLN 3 3.147 5.343 1.182 36 HG3 GLN 3 2HG GLN 3 3.254 6.765 0.147 37 HE21 GLN 3 2HE2 GLN 3 3.230 5.771 3.264 38 HE22 GLN 3 1HE2 GLN 3 2.604 7.226 4.027 39 H GLU 4 H GLU 4 -0.254 3.056 -0.395 40 HA GLU 4 HA GLU 4 -2.490 4.124 -1.830 41 HB2 GLU 4 1HB GLU 4 -1.262 2.203 -2.684 42 HB3 GLU 4 2HB GLU 4 -1.717 1.237 -1.267 43 HG2 GLU 4 1HG GLU 4 -4.042 1.333 -1.858 44 HG3 GLU 4 2HG GLU 4 -3.703 2.468 -3.163 45 H LEU 5 H LEU 5 -2.234 2.182 1.147 46 HA LEU 5 HA LEU 5 -5.060 1.878 1.533 47 HB2 LEU 5 1HB LEU 5 -2.746 1.922 3.490 48 HB3 LEU 5 2HB LEU 5 -4.398 1.543 3.952 49 HG LEU 5 HG LEU 5 -2.798 -0.037 1.914 50 HD11 LEU 5 1HD1 LEU 5 -2.543 -1.730 3.673 51 HD12 LEU 5 2HD1 LEU 5 -3.365 -0.665 4.834 52 HD13 LEU 5 3HD1 LEU 5 -1.789 -0.196 4.151 53 HD21 LEU 5 3HD2 LEU 5 -5.418 -0.701 3.310 54 HD22 LEU 5 1HD2 LEU 5 -4.522 -1.754 2.195 55 HD23 LEU 5 2HD2 LEU 5 -5.229 -0.249 1.600 56 H SER 6 H SER 6 -2.766 4.451 2.502 57 HA SER 6 HA SER 6 -4.700 6.077 3.874 58 HB2 SER 6 1HB SER 6 -2.221 6.933 2.336 59 HB3 SER 6 2HB SER 6 -3.114 7.914 3.509 60 HG SER 6 HG SER 6 -1.647 5.531 3.966 61 H GLN 7 H GLN 7 -4.309 5.438 0.470 62 HA GLN 7 HA GLN 7 -5.560 8.025 -0.309 63 HB2 GLN 7 1HB GLN 7 -4.376 5.693 -1.848 64 HB3 GLN 7 2HB GLN 7 -5.263 6.993 -2.644 65 HG2 GLN 7 1HG GLN 7 -3.605 8.563 -2.274 66 HG3 GLN 7 2HG GLN 7 -2.989 7.744 -0.834 67 HE21 GLN 7 2HE2 GLN 7 -3.562 6.407 -4.105 68 HE22 GLN 7 1HE2 GLN 7 -1.898 5.961 -4.374 69 H HIS 8 H HIS 8 -6.282 4.723 0.354 70 HA HIS 8 HA HIS 8 -8.881 4.768 -1.064 71 HB2 HIS 8 1HB HIS 8 -7.267 2.754 0.510 72 HB3 HIS 8 2HB HIS 8 -8.985 2.507 0.276 73 HD1 HIS 8 HD1 HIS 8 -5.724 2.674 -1.667 74 HD2 HIS 8 HD2 HIS 8 -9.750 1.669 -2.297 75 HE1 HIS 8 HE1 HIS 8 -5.868 1.542 -3.960 76 H GLU 9 H GLU 9 -9.945 6.469 0.011 77 HA GLU 9 HA GLU 9 -9.873 6.954 2.755 78 HB2 GLU 9 1HB GLU 9 -10.681 8.429 0.907 79 HB3 GLU 9 2HB GLU 9 -12.222 7.562 0.951 80 HG2 GLU 9 1HG GLU 9 -12.814 8.462 3.011 81 HG3 GLU 9 2HG GLU 9 -11.129 8.699 3.505 82 H ARG 10 H ARG 10 -11.958 4.620 1.107 83 HA ARG 10 HA ARG 10 -13.837 4.108 3.189 84 HB2 ARG 10 1HB ARG 10 -13.927 3.128 0.894 85 HB3 ARG 10 2HB ARG 10 -12.480 2.184 1.250 86 HG2 ARG 10 1HG ARG 10 -13.858 1.115 3.164 87 HG3 ARG 10 2HG ARG 10 -15.276 1.801 2.345 88 HD2 ARG 10 1HD ARG 10 -14.724 0.600 0.296 89 HD3 ARG 10 2HD ARG 10 -13.173 0.078 0.979 90 HE ARG 10 HE ARG 10 -15.387 -0.836 2.581 91 HH11 ARG 10 1HH1 ARG 10 -13.576 -1.592 -0.359 92 HH12 ARG 10 2HH1 ARG 10 -13.985 -3.299 -0.268 93 HH21 ARG 10 1HH2 ARG 10 -15.855 -3.044 2.584 94 HH22 ARG 10 2HH2 ARG 10 -15.178 -4.084 1.346 95 H TYR 11 H TYR 11 -10.561 2.792 2.626 96 HA TYR 11 HA TYR 11 -10.583 1.080 4.938 97 HB2 TYR 11 1HB TYR 11 -9.115 0.841 2.918 98 HB3 TYR 11 2HB TYR 11 -8.214 2.265 3.444 99 HD1 TYR 11 HD1 TYR 11 -9.247 -1.161 4.553 100 HD2 TYR 11 HD2 TYR 11 -6.421 2.045 4.975 101 HE1 TYR 11 HE1 TYR 11 -7.810 -2.618 5.967 102 HE2 TYR 11 HE2 TYR 11 -4.982 0.574 6.401 103 HH TYR 11 HH TYR 11 -4.690 -1.510 7.293 104 H VAL 12 H VAL 12 -9.328 4.340 4.220 105 HA VAL 12 HA VAL 12 -7.994 4.849 6.649 106 HB VAL 12 HB VAL 12 -9.556 6.737 4.829 107 HG11 VAL 12 1HG1 VAL 12 -7.652 7.474 7.081 108 HG12 VAL 12 2HG1 VAL 12 -8.326 8.604 5.887 109 HG13 VAL 12 3HG1 VAL 12 -9.399 7.785 7.040 110 HG21 VAL 12 3HG2 VAL 12 -7.338 7.375 3.996 111 HG22 VAL 12 1HG2 VAL 12 -6.580 6.214 5.111 112 HG23 VAL 12 2HG2 VAL 12 -7.612 5.637 3.788 113 H GLU 13 H GLU 13 -11.482 5.237 5.841 114 HA GLU 13 HA GLU 13 -12.134 6.541 8.251 115 HB2 GLU 13 1HB GLU 13 -13.553 6.405 6.230 116 HB3 GLU 13 2HB GLU 13 -13.923 4.720 6.634 117 HG2 GLU 13 1HG GLU 13 -15.093 5.334 8.586 118 HG3 GLU 13 2HG GLU 13 -14.369 6.950 8.603 119 H GLN 14 H GLN 14 -12.135 3.045 7.511 120 HA GLN 14 HA GLN 14 -13.125 2.349 10.131 121 HB2 GLN 14 1HB GLN 14 -13.303 0.350 9.158 122 HB3 GLN 14 2HB GLN 14 -12.651 1.067 7.698 123 HG2 GLN 14 1HG GLN 14 -11.455 -0.954 8.109 124 HG3 GLN 14 2HG GLN 14 -10.349 0.385 8.420 125 HE21 GLN 14 2HE2 GLN 14 -12.907 -1.193 10.363 126 HE22 GLN 14 1HE2 GLN 14 -11.860 -1.596 11.701 127 H LEU 15 H LEU 15 -9.910 2.763 8.664 128 HA LEU 15 HA LEU 15 -8.435 1.763 10.865 129 HB2 LEU 15 1HB LEU 15 -7.788 2.416 8.367 130 HB3 LEU 15 2HB LEU 15 -7.271 3.902 9.154 131 HG LEU 15 HG LEU 15 -5.871 2.458 10.711 132 HD11 LEU 15 1HD1 LEU 15 -5.300 0.173 9.860 133 HD12 LEU 15 2HD1 LEU 15 -6.626 0.314 8.684 134 HD13 LEU 15 3HD1 LEU 15 -6.976 0.299 10.422 135 HD21 LEU 15 3HD2 LEU 15 -4.107 2.071 8.989 136 HD22 LEU 15 1HD2 LEU 15 -4.855 3.675 8.877 137 HD23 LEU 15 2HD2 LEU 15 -5.314 2.403 7.724 138 H LYS 16 H LYS 16 -9.997 4.876 10.451 139 HA LYS 16 HA LYS 16 -8.462 6.486 12.206 140 HB2 LYS 16 1HB LYS 16 -11.506 6.324 12.110 141 HB3 LYS 16 2HB LYS 16 -10.564 7.633 12.821 142 HG2 LYS 16 1HG LYS 16 -9.643 8.118 10.506 143 HG3 LYS 16 2HG LYS 16 -10.803 6.929 9.895 144 HD2 LYS 16 1HD LYS 16 -12.587 8.300 11.207 145 HD3 LYS 16 2HD LYS 16 -11.369 9.584 11.218 146 HE2 LYS 16 1HE LYS 16 -12.639 8.255 8.785 147 HE3 LYS 16 2HE LYS 16 -12.932 9.894 9.349 148 HZ1 LYS 16 3HZ LYS 16 -10.666 10.443 8.754 149 HZ2 LYS 16 1HZ LYS 16 -11.457 9.816 7.449 150 HZ3 LYS 16 2HZ LYS 16 -10.367 8.892 8.272 151 H GLN 17 H GLN 17 -10.730 3.844 12.930 152 HA GLN 17 HA GLN 17 -10.657 4.381 15.793 153 HB2 GLN 17 1HB GLN 17 -11.546 1.853 14.369 154 HB3 GLN 17 2HB GLN 17 -11.955 2.351 16.013 155 HG2 GLN 17 1HG GLN 17 -12.865 3.680 13.424 156 HG3 GLN 17 2HG GLN 17 -13.848 2.687 14.500 157 HE21 GLN 17 2HE2 GLN 17 -14.616 5.226 13.717 158 HE22 GLN 17 1HE2 GLN 17 -14.585 6.283 15.108 159 H ALA 18 H ALA 18 -9.069 2.039 13.581 160 HA ALA 18 HA ALA 18 -7.838 0.528 15.672 161 HB1 ALA 18 3HB ALA 18 -8.143 -0.283 13.353 162 HB2 ALA 18 1HB ALA 18 -6.928 0.896 12.791 163 HB3 ALA 18 2HB ALA 18 -6.454 -0.416 13.900 164 H LEU 19 H LEU 19 -6.866 3.499 13.987 165 HA LEU 19 HA LEU 19 -4.170 3.646 14.968 166 HB2 LEU 19 1HB LEU 19 -6.207 5.509 13.867 167 HB3 LEU 19 2HB LEU 19 -5.053 6.255 14.953 168 HG LEU 19 HG LEU 19 -4.450 6.557 12.617 169 HD11 LEU 19 1HD1 LEU 19 -2.496 4.859 14.163 170 HD12 LEU 19 2HD1 LEU 19 -2.670 6.623 14.211 171 HD13 LEU 19 3HD1 LEU 19 -2.092 5.829 12.730 172 HD21 LEU 19 3HD2 LEU 19 -4.166 3.557 12.482 173 HD22 LEU 19 1HD2 LEU 19 -3.557 4.700 11.260 174 HD23 LEU 19 2HD2 LEU 19 -5.301 4.579 11.577 175 H LYS 20 H LYS 20 -7.324 4.410 16.411 176 HA LYS 20 HA LYS 20 -6.165 5.725 18.754 177 HB2 LYS 20 1HB LYS 20 -8.850 5.138 17.670 178 HB3 LYS 20 2HB LYS 20 -8.749 4.976 19.421 179 HG2 LYS 20 1HG LYS 20 -9.453 7.170 19.006 180 HG3 LYS 20 2HG LYS 20 -7.756 7.292 19.501 181 HD2 LYS 20 1HD LYS 20 -7.071 7.527 17.144 182 HD3 LYS 20 2HD LYS 20 -8.756 7.328 16.625 183 HE2 LYS 20 1HE LYS 20 -7.714 9.573 18.390 184 HE3 LYS 20 2HE LYS 20 -8.064 9.703 16.653 185 HZ1 LYS 20 3HZ LYS 20 -9.925 10.495 17.978 186 HZ2 LYS 20 1HZ LYS 20 -10.051 9.047 18.759 187 HZ3 LYS 20 2HZ LYS 20 -10.378 9.142 17.147 188 H THR 21 H THR 21 -7.381 2.426 18.052 189 HA THR 21 HA THR 21 -7.618 1.670 20.801 190 HB THR 21 HB THR 21 -7.513 -0.703 19.892 191 HG1 THR 21 HG1 THR 21 -6.347 -0.596 18.067 192 HG21 THR 21 1HG2 THR 21 -9.654 0.503 20.076 193 HG22 THR 21 2HG2 THR 21 -9.616 -0.527 18.630 194 HG23 THR 21 3HG2 THR 21 -9.392 1.227 18.473 195 H ARG 22 H ARG 22 -4.777 2.195 18.966 196 HA ARG 22 HA ARG 22 -3.075 0.304 20.345 197 HB2 ARG 22 1HB ARG 22 -2.819 2.179 18.277 198 HB3 ARG 22 2HB ARG 22 -1.797 2.820 19.558 199 HG2 ARG 22 1HG ARG 22 -1.627 0.026 18.382 200 HG3 ARG 22 2HG ARG 22 -0.564 1.377 17.971 201 HD2 ARG 22 1HD ARG 22 0.818 0.716 19.603 202 HD3 ARG 22 2HD ARG 22 -0.414 1.165 20.780 203 HE ARG 22 HE ARG 22 -0.597 -1.526 19.557 204 HH11 ARG 22 1HH1 ARG 22 0.204 0.351 22.433 205 HH12 ARG 22 2HH1 ARG 22 0.298 -1.069 23.439 206 HH21 ARG 22 1HH2 ARG 22 -0.461 -3.316 20.914 207 HH22 ARG 22 2HH2 ARG 22 -0.105 -3.081 22.601 208 H GLY 23 H GLY 23 -4.589 3.305 21.272 209 HA2 GLY 23 1HA GLY 23 -4.629 4.283 23.360 210 HA3 GLY 23 2HA GLY 23 -3.577 2.995 23.956 211 H VAL 24 H VAL 24 -2.310 4.637 21.221 212 HA VAL 24 HA VAL 24 -0.794 6.525 22.944 213 HB VAL 24 HB VAL 24 0.572 4.417 22.655 214 HG11 VAL 24 1HG1 VAL 24 1.599 3.960 20.444 215 HG12 VAL 24 2HG1 VAL 24 -0.150 3.706 20.460 216 HG13 VAL 24 3HG1 VAL 24 0.522 5.167 19.710 217 HG21 VAL 24 3HG2 VAL 24 1.635 6.659 22.999 218 HG22 VAL 24 1HG2 VAL 24 2.655 5.512 22.109 219 HG23 VAL 24 2HG2 VAL 24 1.816 6.807 21.229 220 H LYS 25 H LYS 25 0.108 8.295 21.675 221 HA LYS 25 HA LYS 25 -1.830 9.077 19.628 222 HB2 LYS 25 1HB LYS 25 -0.517 11.253 19.713 223 HB3 LYS 25 2HB LYS 25 -1.327 10.766 21.199 224 HG2 LYS 25 1HG LYS 25 1.498 9.851 21.012 225 HG3 LYS 25 2HG LYS 25 1.305 11.605 21.021 226 HD2 LYS 25 1HD LYS 25 -0.036 9.844 23.104 227 HD3 LYS 25 2HD LYS 25 1.631 10.421 23.284 228 HE2 LYS 25 1HE LYS 25 0.822 12.771 23.047 229 HE3 LYS 25 2HE LYS 25 -0.847 12.167 22.983 230 HZ1 LYS 25 3HZ LYS 25 -0.524 11.232 25.203 231 HZ2 LYS 25 1HZ LYS 25 -0.234 12.855 25.224 232 HZ3 LYS 25 2HZ LYS 25 1.027 11.793 25.258 233 H VAL 26 H VAL 26 -1.314 7.578 17.962 234 HA VAL 26 HA VAL 26 1.226 8.212 16.511 235 HB VAL 26 HB VAL 26 0.425 6.113 15.120 236 HG11 VAL 26 1HG1 VAL 26 1.715 4.641 16.652 237 HG12 VAL 26 2HG1 VAL 26 2.507 6.204 16.372 238 HG13 VAL 26 3HG1 VAL 26 1.645 5.909 17.900 239 HG21 VAL 26 3HG2 VAL 26 -1.782 5.936 16.382 240 HG22 VAL 26 1HG2 VAL 26 -0.817 4.446 16.346 241 HG23 VAL 26 2HG2 VAL 26 -0.851 5.443 17.814 242 H LYS 27 H LYS 27 1.133 8.472 14.239 243 HA LYS 27 HA LYS 27 -1.381 9.870 13.397 244 HB2 LYS 27 1HB LYS 27 0.942 11.021 13.553 245 HB3 LYS 27 2HB LYS 27 1.384 10.055 12.148 246 HG2 LYS 27 1HG LYS 27 -0.437 11.134 10.849 247 HG3 LYS 27 2HG LYS 27 -0.859 12.104 12.277 248 HD2 LYS 27 1HD LYS 27 1.440 13.064 12.280 249 HD3 LYS 27 2HD LYS 27 1.835 12.099 10.849 250 HE2 LYS 27 1HE LYS 27 1.334 14.284 10.050 251 HE3 LYS 27 2HE LYS 27 -0.070 13.279 9.643 252 HZ1 LYS 27 3HZ LYS 27 -0.735 15.404 10.586 253 HZ2 LYS 27 1HZ LYS 27 0.122 15.120 11.966 254 HZ3 LYS 27 2HZ LYS 27 -1.190 14.188 11.604 255 H PHE 28 H PHE 28 -2.103 9.465 11.147 256 HA PHE 28 HA PHE 28 -1.917 6.741 10.272 257 HB2 PHE 28 1HB PHE 28 -2.786 9.373 9.052 258 HB3 PHE 28 2HB PHE 28 -2.511 8.003 7.974 259 HD1 PHE 28 HD1 PHE 28 -4.465 8.988 11.036 260 HD2 PHE 28 HD2 PHE 28 -4.152 6.414 7.605 261 HE1 PHE 28 HE1 PHE 28 -6.748 8.095 11.493 262 HE2 PHE 28 HE2 PHE 28 -6.415 5.533 8.047 263 HZ PHE 28 HZ PHE 28 -7.725 6.373 9.976 264 H ALA 29 H ALA 29 -0.144 9.692 9.241 265 HA ALA 29 HA ALA 29 1.350 8.433 7.189 266 HB1 ALA 29 3HB ALA 29 2.859 10.361 7.378 267 HB2 ALA 29 1HB ALA 29 1.166 10.895 7.470 268 HB3 ALA 29 2HB ALA 29 2.154 10.791 8.951 269 H ASP 30 H ASP 30 1.717 8.388 10.668 270 HA ASP 30 HA ASP 30 4.456 7.399 10.655 271 HB2 ASP 30 1HB ASP 30 3.318 8.711 12.526 272 HB3 ASP 30 2HB ASP 30 2.362 7.267 12.864 273 H LEU 31 H LEU 31 1.199 5.972 11.400 274 HA LEU 31 HA LEU 31 2.214 3.353 11.663 275 HB2 LEU 31 1HB LEU 31 -0.201 4.521 12.095 276 HB3 LEU 31 2HB LEU 31 -0.553 3.558 10.664 277 HG LEU 31 HG LEU 31 0.388 2.589 13.383 278 HD11 LEU 31 1HD1 LEU 31 -2.073 1.950 11.712 279 HD12 LEU 31 2HD1 LEU 31 -2.017 3.073 13.087 280 HD13 LEU 31 3HD1 LEU 31 -1.718 1.345 13.346 281 HD21 LEU 31 3HD2 LEU 31 0.145 0.969 10.821 282 HD22 LEU 31 1HD2 LEU 31 0.227 0.261 12.451 283 HD23 LEU 31 2HD2 LEU 31 1.598 1.190 11.816 284 H LEU 32 H LEU 32 0.641 4.869 8.801 285 HA LEU 32 HA LEU 32 0.802 2.443 7.273 286 HB2 LEU 32 1HB LEU 32 0.354 5.313 6.509 287 HB3 LEU 32 2HB LEU 32 0.592 4.087 5.290 288 HG LEU 32 HG LEU 32 -1.686 4.308 5.359 289 HD11 LEU 32 1HD1 LEU 32 -2.681 2.328 6.049 290 HD12 LEU 32 2HD1 LEU 32 -1.516 2.088 7.369 291 HD13 LEU 32 3HD1 LEU 32 -1.004 1.898 5.674 292 HD21 LEU 32 3HD2 LEU 32 -1.577 4.343 8.356 293 HD22 LEU 32 1HD2 LEU 32 -3.048 4.449 7.346 294 HD23 LEU 32 2HD2 LEU 32 -1.824 5.728 7.264 295 H LYS 33 H LYS 33 3.191 4.876 7.940 296 HA LYS 33 HA LYS 33 4.887 4.373 5.681 297 HB2 LYS 33 1HB LYS 33 5.403 6.208 7.177 298 HB3 LYS 33 2HB LYS 33 5.546 5.115 8.553 299 HG2 LYS 33 1HG LYS 33 7.755 5.801 7.860 300 HG3 LYS 33 2HG LYS 33 7.543 4.075 7.552 301 HD2 LYS 33 1HD LYS 33 6.944 4.713 5.124 302 HD3 LYS 33 2HD LYS 33 7.496 6.350 5.513 303 HE2 LYS 33 1HE LYS 33 9.134 3.787 5.704 304 HE3 LYS 33 2HE LYS 33 9.247 4.991 4.409 305 HZ1 LYS 33 3HZ LYS 33 10.982 5.288 6.053 306 HZ2 LYS 33 1HZ LYS 33 9.875 5.485 7.260 307 HZ3 LYS 33 2HZ LYS 33 9.985 6.602 6.051 308 H PHE 34 H PHE 34 4.362 2.547 8.700 309 HA PHE 34 HA PHE 34 6.566 0.753 8.081 310 HB2 PHE 34 1HB PHE 34 4.363 0.670 10.133 311 HB3 PHE 34 2HB PHE 34 5.589 -0.594 9.962 312 HD1 PHE 34 HD1 PHE 34 7.939 -0.171 10.491 313 HD2 PHE 34 HD2 PHE 34 4.989 2.911 10.920 314 HE1 PHE 34 HE1 PHE 34 9.570 1.206 11.762 315 HE2 PHE 34 HE2 PHE 34 6.596 4.306 12.191 316 HZ PHE 34 HZ PHE 34 8.900 3.461 12.616 317 H PHE 35 H PHE 35 3.170 0.883 7.187 318 HA PHE 35 HA PHE 35 3.195 -1.875 6.202 319 HB2 PHE 35 1HB PHE 35 1.344 0.464 5.704 320 HB3 PHE 35 2HB PHE 35 1.178 -1.094 4.894 321 HD1 PHE 35 HD2 PHE 35 1.267 -3.199 6.587 322 HD2 PHE 35 HD1 PHE 35 0.057 0.769 7.633 323 HE1 PHE 35 HE2 PHE 35 -0.085 -4.105 8.475 324 HE2 PHE 35 HE1 PHE 35 -1.304 -0.105 9.503 325 HZ PHE 35 HZ PHE 35 -1.397 -2.542 9.927 326 H ASP 36 H ASP 36 4.168 1.319 4.983 327 HA ASP 36 HA ASP 36 4.522 0.418 2.236 328 HB2 ASP 36 1HB ASP 36 5.839 2.661 3.812 329 HB3 ASP 36 2HB ASP 36 6.143 2.348 2.103 330 H PHE 37 H PHE 37 6.425 0.355 5.233 331 HA PHE 37 HA PHE 37 8.849 -0.576 4.013 332 HB2 PHE 37 1HB PHE 37 8.576 0.438 6.310 333 HB3 PHE 37 2HB PHE 37 7.904 -1.103 6.849 334 HD1 PHE 37 HD1 PHE 37 10.924 0.279 5.080 335 HD2 PHE 37 HD2 PHE 37 9.348 -2.700 7.755 336 HE1 PHE 37 HE1 PHE 37 13.230 -0.564 5.492 337 HE2 PHE 37 HE2 PHE 37 11.652 -3.549 8.173 338 HZ PHE 37 HZ PHE 37 13.594 -2.483 7.033 339 H VAL 38 H VAL 38 5.901 -2.247 5.129 340 HA VAL 38 HA VAL 38 6.913 -4.943 4.848 341 HB VAL 38 HB VAL 38 4.091 -3.915 4.194 342 HG11 VAL 38 1HG1 VAL 38 3.436 -6.347 4.639 343 HG12 VAL 38 2HG1 VAL 38 4.349 -6.068 3.145 344 HG13 VAL 38 3HG1 VAL 38 5.169 -6.740 4.569 345 HG21 VAL 38 3HG2 VAL 38 3.442 -4.679 6.322 346 HG22 VAL 38 1HG2 VAL 38 5.104 -5.205 6.683 347 HG23 VAL 38 2HG2 VAL 38 4.732 -3.486 6.465 348 H LYS 39 H LYS 39 5.339 -2.586 2.682 349 HA LYS 39 HA LYS 39 5.125 -4.370 0.536 350 HB2 LYS 39 1HB LYS 39 3.942 -2.169 0.717 351 HB3 LYS 39 2HB LYS 39 5.468 -1.354 0.477 352 HG2 LYS 39 1HG LYS 39 5.490 -2.789 -1.783 353 HG3 LYS 39 2HG LYS 39 3.748 -2.789 -1.513 354 HD2 LYS 39 1HD LYS 39 4.342 -0.926 -2.963 355 HD3 LYS 39 2HD LYS 39 3.796 -0.286 -1.406 356 HE2 LYS 39 1HE LYS 39 5.797 0.926 -2.255 357 HE3 LYS 39 2HE LYS 39 6.116 0.133 -0.710 358 HZ1 LYS 39 3HZ LYS 39 7.101 -1.722 -2.075 359 HZ2 LYS 39 1HZ LYS 39 7.955 -0.313 -2.030 360 HZ3 LYS 39 2HZ LYS 39 7.064 -0.703 -3.373 361 H ASP 40 H ASP 40 7.680 -2.081 1.465 362 HA ASP 40 HA ASP 40 9.319 -2.378 -0.859 363 HB2 ASP 40 1HB ASP 40 9.963 -1.601 2.013 364 HB3 ASP 40 2HB ASP 40 11.136 -1.523 0.689 365 H THR 41 H THR 41 9.506 -3.981 2.361 366 HA THR 41 HA THR 41 11.806 -5.551 1.531 367 HB THR 41 HB THR 41 10.069 -6.201 3.936 368 HG1 THR 41 HG1 THR 41 10.343 -3.988 4.073 369 HG21 THR 41 1HG2 THR 41 12.235 -6.731 4.954 370 HG22 THR 41 2HG2 THR 41 13.086 -6.145 3.512 371 HG23 THR 41 3HG2 THR 41 12.081 -7.609 3.422 372 H CYS 42 H CYS 42 8.327 -6.046 1.571 373 HA CYS 42 HA CYS 42 8.742 -8.807 0.499 374 HB2 CYS 42 1HB CYS 42 6.558 -7.816 2.365 375 HB3 CYS 42 2HB CYS 42 6.601 -9.411 1.609 376 HG CYS 42 HG CYS 42 8.932 -8.128 3.537 377 HA PRO 43 HA PRO 43 6.177 -6.215 -2.367 378 HB2 PRO 43 1HB PRO 43 7.386 -6.882 -4.718 379 HB3 PRO 43 2HB PRO 43 8.054 -5.624 -3.625 380 HG2 PRO 43 1HG PRO 43 8.825 -8.528 -3.852 381 HG3 PRO 43 2HG PRO 43 9.879 -7.079 -3.876 382 HD2 PRO 43 1HD PRO 43 9.485 -8.535 -1.620 383 HD3 PRO 43 2HD PRO 43 9.664 -6.741 -1.568 384 H TRP 44 H TRP 44 7.070 -9.534 -2.105 385 HA TRP 44 HA TRP 44 5.062 -10.560 -3.943 386 HB2 TRP 44 1HB TRP 44 5.762 -12.713 -2.590 387 HB3 TRP 44 2HB TRP 44 6.826 -12.002 -3.817 388 HD1 TRP 44 HD1 TRP 44 6.318 -11.734 -0.010 389 HE1 TRP 44 HE1 TRP 44 8.558 -11.342 1.162 390 HE3 TRP 44 HE3 TRP 44 9.200 -11.414 -4.190 391 HZ2 TRP 44 HZ2 TRP 44 11.256 -10.875 0.361 392 HZ3 TRP 44 HZ3 TRP 44 11.651 -10.962 -3.934 393 HH2 TRP 44 HH2 TRP 44 12.655 -10.688 -1.664 394 H PHE 45 H PHE 45 5.011 -9.403 -0.664 395 HA PHE 45 HA PHE 45 2.947 -11.176 0.281 396 HB2 PHE 45 1HB PHE 45 4.306 -9.827 1.824 397 HB3 PHE 45 2HB PHE 45 3.594 -8.347 1.183 398 HD1 PHE 45 HD2 PHE 45 1.145 -7.873 1.540 399 HD2 PHE 45 HD1 PHE 45 3.144 -11.161 3.466 400 HE1 PHE 45 HE2 PHE 45 -0.736 -8.061 3.142 401 HE2 PHE 45 HE1 PHE 45 1.271 -11.335 5.111 402 HZ PHE 45 HZ PHE 45 -0.687 -9.784 4.937 403 HA PRO 46 HA PRO 46 -0.247 -8.109 -1.087 404 HB2 PRO 46 1HB PRO 46 0.204 -6.200 -2.985 405 HB3 PRO 46 2HB PRO 46 0.451 -5.890 -1.236 406 HG2 PRO 46 1HG PRO 46 2.474 -6.674 -3.310 407 HG3 PRO 46 2HG PRO 46 2.518 -5.309 -2.148 408 HD2 PRO 46 1HD PRO 46 3.785 -7.615 -1.621 409 HD3 PRO 46 2HD PRO 46 2.927 -6.724 -0.324 410 H GLN 47 H GLN 47 2.232 -9.215 -3.329 411 HA GLN 47 HA GLN 47 0.575 -9.549 -5.631 412 HB2 GLN 47 1HB GLN 47 3.091 -9.593 -5.538 413 HB3 GLN 47 2HB GLN 47 2.986 -11.188 -4.787 414 HG2 GLN 47 1HG GLN 47 1.892 -12.085 -6.782 415 HG3 GLN 47 2HG GLN 47 1.922 -10.480 -7.531 416 HE21 GLN 47 2HE2 GLN 47 3.387 -10.472 -9.097 417 HE22 GLN 47 1HE2 GLN 47 4.999 -11.135 -8.977 418 H GLU 48 H GLU 48 1.289 -11.687 -2.832 419 HA GLU 48 HA GLU 48 -0.297 -13.869 -3.965 420 HB2 GLU 48 1HB GLU 48 0.877 -13.393 -1.206 421 HB3 GLU 48 2HB GLU 48 -0.056 -14.830 -1.646 422 HG2 GLU 48 1HG GLU 48 1.609 -15.249 -3.506 423 HG3 GLU 48 2HG GLU 48 2.608 -13.959 -2.820 424 H GLY 49 H GLY 49 -1.000 -10.951 -2.311 425 HA2 GLY 49 1HA GLY 49 -2.979 -10.027 -1.657 426 HA3 GLY 49 2HA GLY 49 -3.717 -11.165 -2.775 427 H THR 50 H THR 50 -2.102 -12.428 0.075 428 HA THR 50 HA THR 50 -4.809 -12.968 1.243 429 HB THR 50 HB THR 50 -2.463 -14.899 1.120 430 HG1 THR 50 HG1 THR 50 -3.561 -14.472 -0.923 431 HG21 THR 50 1HG2 THR 50 -4.235 -16.559 1.801 432 HG22 THR 50 2HG2 THR 50 -5.347 -15.197 2.061 433 HG23 THR 50 3HG2 THR 50 -3.878 -15.351 3.058 434 H ILE 51 H ILE 51 -5.023 -12.615 3.377 435 HA ILE 51 HA ILE 51 -2.521 -11.870 4.862 436 HB ILE 51 HB ILE 51 -5.280 -10.588 4.998 437 HG12 ILE 51 1HG1 ILE 51 -2.639 -9.523 3.925 438 HG13 ILE 51 2HG1 ILE 51 -3.955 -10.116 2.918 439 HG21 ILE 51 1HG2 ILE 51 -4.256 -8.944 6.529 440 HG22 ILE 51 2HG2 ILE 51 -4.062 -10.566 7.208 441 HG23 ILE 51 3HG2 ILE 51 -2.679 -9.768 6.416 442 HD11 ILE 51 3HD1 ILE 51 -3.943 -7.703 4.668 443 HD12 ILE 51 1HD1 ILE 51 -4.065 -7.801 2.906 444 HD13 ILE 51 2HD1 ILE 51 -5.409 -8.375 3.915 445 H ASP 52 H ASP 52 -2.116 -13.418 6.226 446 HA ASP 52 HA ASP 52 -4.109 -14.054 8.309 447 HB2 ASP 52 1HB ASP 52 -4.455 -15.907 6.750 448 HB3 ASP 52 2HB ASP 52 -2.704 -16.131 6.600 449 H ILE 53 H ILE 53 -2.945 -15.093 10.146 450 HA ILE 53 HA ILE 53 -0.560 -13.652 10.654 451 HB ILE 53 HB ILE 53 -2.239 -14.450 12.301 452 HG12 ILE 53 1HG1 ILE 53 -0.590 -15.021 14.096 453 HG13 ILE 53 2HG1 ILE 53 0.634 -15.220 12.855 454 HG21 ILE 53 1HG2 ILE 53 -2.158 -16.696 13.240 455 HG22 ILE 53 2HG2 ILE 53 -2.510 -16.786 11.502 456 HG23 ILE 53 3HG2 ILE 53 -0.873 -17.162 12.103 457 HD11 ILE 53 3HD1 ILE 53 -0.829 -12.622 13.346 458 HD12 ILE 53 1HD1 ILE 53 0.732 -13.047 14.071 459 HD13 ILE 53 2HD1 ILE 53 0.596 -12.882 12.311 460 H LYS 54 H LYS 54 -1.030 -16.936 9.368 461 HA LYS 54 HA LYS 54 1.688 -17.787 9.852 462 HB2 LYS 54 1HB LYS 54 -0.355 -18.649 7.776 463 HB3 LYS 54 2HB LYS 54 1.187 -19.469 8.061 464 HG2 LYS 54 1HG LYS 54 0.541 -19.948 10.388 465 HG3 LYS 54 2HG LYS 54 -0.994 -19.104 10.169 466 HD2 LYS 54 1HD LYS 54 -0.196 -21.519 8.501 467 HD3 LYS 54 2HD LYS 54 -1.042 -21.664 10.048 468 HE2 LYS 54 1HE LYS 54 -2.094 -20.166 7.604 469 HE3 LYS 54 2HE LYS 54 -2.601 -21.781 8.125 470 HZ1 LYS 54 3HZ LYS 54 -4.205 -20.266 8.926 471 HZ2 LYS 54 1HZ LYS 54 -3.085 -19.206 9.506 472 HZ3 LYS 54 2HZ LYS 54 -3.319 -20.663 10.261 473 H ARG 55 H ARG 55 0.154 -15.786 7.398 474 HA ARG 55 HA ARG 55 2.590 -15.760 5.732 475 HB2 ARG 55 1HB ARG 55 0.004 -14.171 5.590 476 HB3 ARG 55 2HB ARG 55 1.312 -14.110 4.400 477 HG2 ARG 55 1HG ARG 55 1.014 -16.523 3.968 478 HG3 ARG 55 2HG ARG 55 -0.345 -16.561 5.110 479 HD2 ARG 55 1HD ARG 55 -1.719 -15.349 3.734 480 HD3 ARG 55 2HD ARG 55 -0.372 -14.508 2.953 481 HE ARG 55 HE ARG 55 -1.545 -17.050 2.153 482 HH11 ARG 55 1HH1 ARG 55 1.302 -14.991 1.905 483 HH12 ARG 55 2HH1 ARG 55 1.846 -15.737 0.419 484 HH21 ARG 55 1HH2 ARG 55 -0.821 -17.928 0.221 485 HH22 ARG 55 2HH2 ARG 55 0.660 -17.341 -0.519 486 H TRP 56 H TRP 56 0.890 -13.623 8.044 487 HA TRP 56 HA TRP 56 2.601 -11.368 7.663 488 HB2 TRP 56 1HB TRP 56 0.399 -11.354 8.844 489 HB3 TRP 56 2HB TRP 56 1.161 -12.202 10.199 490 HD1 TRP 56 HD1 TRP 56 2.254 -10.686 11.991 491 HE1 TRP 56 HE1 TRP 56 2.936 -8.246 12.232 492 HE3 TRP 56 HE3 TRP 56 1.266 -9.217 7.190 493 HZ2 TRP 56 HZ2 TRP 56 3.082 -5.956 10.545 494 HZ3 TRP 56 HZ3 TRP 56 1.712 -6.835 6.554 495 HH2 TRP 56 HH2 TRP 56 2.599 -5.225 8.242 496 H ARG 57 H ARG 57 2.969 -14.323 9.586 497 HA ARG 57 HA ARG 57 5.127 -13.449 11.206 498 HB2 ARG 57 1HB ARG 57 4.236 -16.126 10.217 499 HB3 ARG 57 2HB ARG 57 5.731 -15.958 11.158 500 HG2 ARG 57 1HG ARG 57 4.602 -15.214 13.081 501 HG3 ARG 57 2HG ARG 57 3.169 -14.715 12.171 502 HD2 ARG 57 1HD ARG 57 2.636 -17.064 11.700 503 HD3 ARG 57 2HD ARG 57 4.053 -17.566 12.646 504 HE ARG 57 HE ARG 57 2.277 -15.839 14.154 505 HH11 ARG 57 1HH1 ARG 57 2.649 -19.194 13.143 506 HH12 ARG 57 2HH1 ARG 57 1.580 -19.783 14.390 507 HH21 ARG 57 1HH2 ARG 57 0.870 -16.660 15.703 508 HH22 ARG 57 2HH2 ARG 57 0.624 -18.377 15.819 509 H ARG 58 H ARG 58 5.143 -14.883 7.952 510 HA ARG 58 HA ARG 58 7.952 -14.913 7.559 511 HB2 ARG 58 1HB ARG 58 5.689 -14.459 5.597 512 HB3 ARG 58 2HB ARG 58 7.378 -14.563 5.115 513 HG2 ARG 58 1HG ARG 58 7.511 -16.827 6.083 514 HG3 ARG 58 2HG ARG 58 5.766 -16.752 6.443 515 HD2 ARG 58 1HD ARG 58 5.249 -16.438 4.088 516 HD3 ARG 58 2HD ARG 58 6.972 -16.299 3.689 517 HE ARG 58 HE ARG 58 6.571 -18.804 4.930 518 HH11 ARG 58 1HH1 ARG 58 5.747 -17.186 1.895 519 HH12 ARG 58 2HH1 ARG 58 5.705 -18.677 0.999 520 HH21 ARG 58 1HH2 ARG 58 6.504 -20.671 3.717 521 HH22 ARG 58 2HH2 ARG 58 6.131 -20.614 2.015 522 H VAL 59 H VAL 59 5.760 -12.133 7.475 523 HA VAL 59 HA VAL 59 7.527 -10.419 5.976 524 HB VAL 59 HB VAL 59 5.425 -9.670 8.068 525 HG11 VAL 59 1HG1 VAL 59 5.339 -7.511 6.885 526 HG12 VAL 59 2HG1 VAL 59 6.931 -7.817 7.600 527 HG13 VAL 59 3HG1 VAL 59 6.697 -8.031 5.853 528 HG21 VAL 59 3HG2 VAL 59 4.442 -11.013 6.301 529 HG22 VAL 59 1HG2 VAL 59 3.943 -9.323 6.115 530 HG23 VAL 59 2HG2 VAL 59 5.211 -9.997 5.060 531 H GLY 60 H GLY 60 7.135 -11.229 9.413 532 HA2 GLY 60 1HA GLY 60 9.045 -9.239 10.291 533 HA3 GLY 60 2HA GLY 60 8.366 -10.574 11.240 534 H ASP 61 H ASP 61 9.120 -12.670 9.425 535 HA ASP 61 HA ASP 61 11.791 -13.217 10.277 536 HB2 ASP 61 1HB ASP 61 10.269 -14.352 7.886 537 HB3 ASP 61 2HB ASP 61 11.707 -15.064 8.625 538 H CYS 62 H CYS 62 10.367 -11.855 7.313 539 HA CYS 62 HA CYS 62 12.771 -11.606 5.799 540 HB2 CYS 62 1HB CYS 62 10.157 -11.244 5.286 541 HB3 CYS 62 2HB CYS 62 10.602 -9.558 5.548 542 HG CYS 62 HG CYS 62 10.544 -9.860 3.039 543 H PHE 63 H PHE 63 11.150 -9.332 8.083 544 HA PHE 63 HA PHE 63 13.014 -7.185 7.634 545 HB2 PHE 63 1HB PHE 63 11.474 -7.880 10.161 546 HB3 PHE 63 2HB PHE 63 12.326 -6.369 9.878 547 HD1 PHE 63 HD1 PHE 63 11.404 -6.143 6.838 548 HD2 PHE 63 HD2 PHE 63 9.340 -6.803 10.561 549 HE1 PHE 63 HE1 PHE 63 9.361 -5.100 5.889 550 HE2 PHE 63 HE2 PHE 63 7.298 -5.743 9.613 551 HZ PHE 63 HZ PHE 63 7.309 -4.887 7.274 552 H GLN 64 H GLN 64 13.060 -10.068 9.724 553 HA GLN 64 HA GLN 64 15.301 -9.192 11.309 554 HB2 GLN 64 1HB GLN 64 13.635 -11.001 11.889 555 HB3 GLN 64 2HB GLN 64 14.434 -12.037 10.702 556 HG2 GLN 64 1HG GLN 64 16.525 -11.919 11.966 557 HG3 GLN 64 2HG GLN 64 15.784 -10.796 13.117 558 HE21 GLN 64 2HE2 GLN 64 14.689 -11.587 14.819 559 HE22 GLN 64 1HE2 GLN 64 14.344 -13.281 15.065 560 H ASP 65 H ASP 65 14.964 -11.078 8.305 561 HA ASP 65 HA ASP 65 17.711 -11.792 8.091 562 HB2 ASP 65 1HB ASP 65 15.726 -12.726 6.804 563 HB3 ASP 65 2HB ASP 65 15.815 -11.283 5.787 564 H TYR 66 H TYR 66 15.796 -9.109 6.748 565 HA TYR 66 HA TYR 66 17.951 -7.808 5.405 566 HB2 TYR 66 1HB TYR 66 15.320 -7.509 5.391 567 HB3 TYR 66 2HB TYR 66 15.654 -6.277 6.604 568 HD1 TYR 66 HD2 TYR 66 17.457 -4.446 5.903 569 HD2 TYR 66 HD1 TYR 66 15.442 -7.018 3.107 570 HE1 TYR 66 HE2 TYR 66 17.970 -2.861 4.054 571 HE2 TYR 66 HE1 TYR 66 15.954 -5.411 1.268 572 HH TYR 66 HH TYR 66 16.952 -3.434 0.695 573 H PHE 67 H PHE 67 16.802 -7.692 8.758 574 HA PHE 67 HA PHE 67 18.401 -5.431 9.583 575 HB2 PHE 67 1HB PHE 67 16.471 -6.275 10.850 576 HB3 PHE 67 2HB PHE 67 17.302 -7.800 11.142 577 HD1 PHE 67 HD2 PHE 67 19.398 -7.821 12.595 578 HD2 PHE 67 HD1 PHE 67 16.801 -4.409 12.293 579 HE1 PHE 67 HE2 PHE 67 20.343 -6.917 14.713 580 HE2 PHE 67 HE1 PHE 67 17.710 -3.516 14.417 581 HZ PHE 67 HZ PHE 67 19.492 -4.763 15.635 582 H ASN 68 H ASN 68 19.012 -8.990 9.533 583 HA ASN 68 HA ASN 68 21.345 -8.749 11.156 584 HB2 ASN 68 1HB ASN 68 21.698 -11.014 10.850 585 HB3 ASN 68 2HB ASN 68 19.943 -10.858 10.700 586 HD21 ASN 68 2HD2 ASN 68 19.250 -12.250 9.250 587 HD22 ASN 68 1HD2 ASN 68 20.003 -12.639 7.721 588 H THR 69 H THR 69 20.888 -8.250 7.785 589 HA THR 69 HA THR 69 23.460 -8.758 6.801 590 HB THR 69 HB THR 69 21.749 -6.396 5.919 591 HG1 THR 69 HG1 THR 69 21.259 -9.156 5.797 592 HG21 THR 69 1HG2 THR 69 22.532 -7.065 3.678 593 HG22 THR 69 2HG2 THR 69 23.471 -8.393 4.393 594 HG23 THR 69 3HG2 THR 69 23.908 -6.704 4.746 595 H PHE 70 H PHE 70 22.226 -5.830 8.426 596 HA PHE 70 HA PHE 70 25.054 -4.873 8.578 597 HB2 PHE 70 1HB PHE 70 22.658 -3.515 7.549 598 HB3 PHE 70 2HB PHE 70 23.671 -2.547 8.630 599 HD1 PHE 70 HD1 PHE 70 23.505 -4.306 5.384 600 HD2 PHE 70 HD2 PHE 70 25.934 -1.905 8.002 601 HE1 PHE 70 HE1 PHE 70 25.084 -3.871 3.507 602 HE2 PHE 70 HE2 PHE 70 27.521 -1.461 6.134 603 HZ PHE 70 HZ PHE 70 27.099 -2.444 3.879 604 H GLY 71 H GLY 71 21.816 -4.649 10.133 605 HA2 GLY 71 1HA GLY 71 22.135 -4.928 12.683 606 HA3 GLY 71 2HA GLY 71 23.194 -3.519 12.514 607 HA PRO 72 HA PRO 72 18.876 -2.032 13.315 608 HB2 PRO 72 1HB PRO 72 19.463 -0.189 15.235 609 HB3 PRO 72 2HB PRO 72 19.302 -1.937 15.602 610 HG2 PRO 72 1HG PRO 72 21.803 -0.358 15.046 611 HG3 PRO 72 2HG PRO 72 21.435 -1.432 16.436 612 HD2 PRO 72 1HD PRO 72 22.842 -2.329 14.323 613 HD3 PRO 72 2HD PRO 72 21.620 -3.379 15.125 614 H GLU 73 H GLU 73 21.802 -0.599 12.232 615 HA GLU 73 HA GLU 73 20.738 2.037 11.655 616 HB2 GLU 73 1HB GLU 73 23.091 0.527 10.467 617 HB3 GLU 73 2HB GLU 73 22.770 2.259 10.283 618 HG2 GLU 73 1HG GLU 73 22.968 2.504 12.769 619 HG3 GLU 73 2HG GLU 73 23.443 0.797 12.858 620 H LYS 74 H LYS 74 20.506 -1.110 10.238 621 HA LYS 74 HA LYS 74 19.805 0.014 7.596 622 HB2 LYS 74 1HB LYS 74 21.315 -1.950 7.897 623 HB3 LYS 74 2HB LYS 74 19.942 -2.878 8.491 624 HG2 LYS 74 1HG LYS 74 20.250 -3.467 6.199 625 HG3 LYS 74 2HG LYS 74 18.796 -2.462 6.275 626 HD2 LYS 74 1HD LYS 74 21.340 -0.988 5.795 627 HD3 LYS 74 2HD LYS 74 20.853 -2.101 4.504 628 HE2 LYS 74 1HE LYS 74 18.650 -1.005 4.347 629 HE3 LYS 74 2HE LYS 74 19.073 0.080 5.681 630 HZ1 LYS 74 3HZ LYS 74 20.858 0.963 4.320 631 HZ2 LYS 74 1HZ LYS 74 19.412 1.132 3.544 632 HZ3 LYS 74 2HZ LYS 74 20.466 -0.047 3.074 633 H VAL 75 H VAL 75 18.353 -1.986 10.182 634 HA VAL 75 HA VAL 75 15.684 -1.114 9.135 635 HB VAL 75 HB VAL 75 16.413 -3.819 10.369 636 HG11 VAL 75 1HG1 VAL 75 13.715 -2.751 9.445 637 HG12 VAL 75 2HG1 VAL 75 14.040 -4.438 9.908 638 HG13 VAL 75 3HG1 VAL 75 14.188 -3.145 11.114 639 HG21 VAL 75 3HG2 VAL 75 17.130 -3.799 8.086 640 HG22 VAL 75 1HG2 VAL 75 15.628 -4.732 8.169 641 HG23 VAL 75 2HG2 VAL 75 15.603 -3.066 7.546 642 HA PRO 76 HA PRO 76 16.041 0.289 13.292 643 HB2 PRO 76 1HB PRO 76 13.647 1.471 13.737 644 HB3 PRO 76 2HB PRO 76 14.844 2.176 12.630 645 HG2 PRO 76 1HG PRO 76 12.455 0.505 11.979 646 HG3 PRO 76 2HG PRO 76 12.978 2.051 11.248 647 HD2 PRO 76 1HD PRO 76 13.523 -0.374 10.113 648 HD3 PRO 76 2HD PRO 76 14.648 1.023 9.983 649 H VAL 77 H VAL 77 15.418 -0.358 15.407 650 HA VAL 77 HA VAL 77 14.138 -2.907 15.567 651 HB VAL 77 HB VAL 77 14.254 -2.596 18.034 652 HG11 VAL 77 1HG1 VAL 77 16.706 -2.566 18.161 653 HG12 VAL 77 2HG1 VAL 77 16.182 -3.475 16.729 654 HG13 VAL 77 3HG1 VAL 77 16.812 -1.820 16.550 655 HG21 VAL 77 3HG2 VAL 77 15.431 0.137 17.347 656 HG22 VAL 77 1HG2 VAL 77 13.848 -0.146 18.114 657 HG23 VAL 77 2HG2 VAL 77 15.337 -0.596 18.961 658 H THR 78 H THR 78 12.826 0.339 15.579 659 HA THR 78 HA THR 78 10.357 -0.397 16.895 660 HB THR 78 HB THR 78 11.098 1.997 16.636 661 HG1 THR 78 HG1 THR 78 8.962 2.716 16.290 662 HG21 THR 78 1HG2 THR 78 11.747 1.982 14.279 663 HG22 THR 78 2HG2 THR 78 10.528 3.213 14.628 664 HG23 THR 78 3HG2 THR 78 10.055 1.701 13.836 665 H ALA 79 H ALA 79 11.622 -0.912 13.656 666 HA ALA 79 HA ALA 79 9.064 -1.149 12.372 667 HB1 ALA 79 3HB ALA 79 11.159 -1.004 11.127 668 HB2 ALA 79 1HB ALA 79 11.686 -2.566 11.794 669 HB3 ALA 79 2HB ALA 79 10.281 -2.491 10.702 670 H PHE 80 H PHE 80 11.021 -3.387 14.338 671 HA PHE 80 HA PHE 80 9.247 -5.640 13.895 672 HB2 PHE 80 1HB PHE 80 11.234 -5.115 16.127 673 HB3 PHE 80 2HB PHE 80 10.458 -6.663 15.773 674 HD1 PHE 80 HD1 PHE 80 11.100 -7.977 13.794 675 HD2 PHE 80 HD2 PHE 80 13.007 -4.247 14.728 676 HE1 PHE 80 HE1 PHE 80 12.924 -8.516 12.199 677 HE2 PHE 80 HE2 PHE 80 14.837 -4.755 13.157 678 HZ PHE 80 HZ PHE 80 14.791 -6.903 11.860 679 H SER 81 H SER 81 9.372 -2.929 16.124 680 HA SER 81 HA SER 81 7.547 -4.062 18.076 681 HB2 SER 81 1HB SER 81 9.089 -2.166 18.585 682 HB3 SER 81 2HB SER 81 8.168 -1.141 17.467 683 HG SER 81 HG SER 81 7.212 -2.381 19.840 684 H TYR 82 H TYR 82 7.265 -1.835 15.295 685 HA TYR 82 HA TYR 82 4.419 -1.554 15.388 686 HB2 TYR 82 1HB TYR 82 6.609 -1.113 13.401 687 HB3 TYR 82 2HB TYR 82 4.974 -1.311 12.757 688 HD1 TYR 82 HD1 TYR 82 3.175 0.228 13.341 689 HD2 TYR 82 HD2 TYR 82 7.198 0.911 14.724 690 HE1 TYR 82 HE1 TYR 82 2.589 2.595 13.912 691 HE2 TYR 82 HE2 TYR 82 6.613 3.267 15.276 692 HH TYR 82 HH TYR 82 4.922 4.973 14.983 693 H TRP 83 H TRP 83 6.589 -3.871 13.715 694 HA TRP 83 HA TRP 83 4.571 -5.266 12.322 695 HB2 TRP 83 1HB TRP 83 6.972 -5.607 11.946 696 HB3 TRP 83 2HB TRP 83 7.163 -6.226 13.579 697 HD1 TRP 83 HD1 TRP 83 5.587 -7.277 10.232 698 HE1 TRP 83 HE1 TRP 83 5.322 -9.807 10.168 699 HE3 TRP 83 HE3 TRP 83 6.992 -8.267 15.060 700 HZ2 TRP 83 HZ2 TRP 83 5.789 -11.962 11.943 701 HZ3 TRP 83 HZ3 TRP 83 7.098 -10.635 15.809 702 HH2 TRP 83 HH2 TRP 83 6.500 -12.479 14.242 703 H ASN 84 H ASN 84 5.723 -5.576 15.661 704 HA ASN 84 HA ASN 84 4.351 -8.018 16.252 705 HB2 ASN 84 1HB ASN 84 5.788 -5.930 17.787 706 HB3 ASN 84 2HB ASN 84 4.543 -6.808 18.682 707 HD21 ASN 84 2HD2 ASN 84 7.705 -6.910 17.404 708 HD22 ASN 84 1HD2 ASN 84 8.062 -8.563 17.862 709 H LEU 85 H LEU 85 3.324 -4.636 16.258 710 HA LEU 85 HA LEU 85 0.918 -5.022 17.781 711 HB2 LEU 85 1HB LEU 85 1.736 -2.790 17.312 712 HB3 LEU 85 2HB LEU 85 1.667 -3.078 15.582 713 HG LEU 85 HG LEU 85 -0.765 -3.153 15.615 714 HD11 LEU 85 1HD1 LEU 85 -0.374 -2.846 18.589 715 HD12 LEU 85 2HD1 LEU 85 -1.417 -3.968 17.712 716 HD13 LEU 85 3HD1 LEU 85 -1.861 -2.255 17.797 717 HD21 LEU 85 3HD2 LEU 85 0.402 -1.067 15.195 718 HD22 LEU 85 1HD2 LEU 85 0.474 -0.722 16.937 719 HD23 LEU 85 2HD2 LEU 85 -1.097 -0.759 16.094 720 H ILE 86 H ILE 86 1.562 -5.171 14.215 721 HA ILE 86 HA ILE 86 -1.216 -5.869 13.759 722 HB ILE 86 HB ILE 86 1.161 -6.138 11.895 723 HG12 ILE 86 1HG1 ILE 86 -0.312 -4.198 10.829 724 HG13 ILE 86 2HG1 ILE 86 -0.845 -3.965 12.487 725 HG21 ILE 86 1HG2 ILE 86 -1.852 -6.412 11.480 726 HG22 ILE 86 2HG2 ILE 86 -0.681 -6.207 10.139 727 HG23 ILE 86 3HG2 ILE 86 -0.598 -7.636 11.179 728 HD11 ILE 86 3HD1 ILE 86 1.113 -2.530 11.608 729 HD12 ILE 86 1HD1 ILE 86 1.315 -3.304 13.190 730 HD13 ILE 86 2HD1 ILE 86 2.104 -4.002 11.757 731 H LYS 87 H LYS 87 1.763 -7.608 14.414 732 HA LYS 87 HA LYS 87 0.921 -10.227 13.696 733 HB2 LYS 87 1HB LYS 87 3.234 -9.512 14.357 734 HB3 LYS 87 2HB LYS 87 2.657 -9.326 16.005 735 HG2 LYS 87 1HG LYS 87 1.991 -11.852 15.745 736 HG3 LYS 87 2HG LYS 87 3.243 -11.796 14.483 737 HD2 LYS 87 1HD LYS 87 4.662 -12.143 16.255 738 HD3 LYS 87 2HD LYS 87 4.484 -10.403 16.461 739 HE2 LYS 87 1HE LYS 87 2.579 -10.778 18.028 740 HE3 LYS 87 2HE LYS 87 2.819 -12.530 17.876 741 HZ1 LYS 87 3HZ LYS 87 4.846 -10.621 18.899 742 HZ2 LYS 87 1HZ LYS 87 5.013 -12.263 18.832 743 HZ3 LYS 87 2HZ LYS 87 3.898 -11.588 19.846 744 H GLU 88 H GLU 88 0.641 -8.487 16.877 745 HA GLU 88 HA GLU 88 -0.878 -10.668 18.018 746 HB2 GLU 88 1HB GLU 88 -1.253 -9.228 19.912 747 HB3 GLU 88 2HB GLU 88 0.421 -9.058 19.375 748 HG2 GLU 88 1HG GLU 88 -0.225 -6.957 18.207 749 HG3 GLU 88 2HG GLU 88 -1.844 -7.083 18.893 750 H LEU 89 H LEU 89 -1.741 -7.792 16.132 751 HA LEU 89 HA LEU 89 -4.518 -7.858 16.783 752 HB2 LEU 89 1HB LEU 89 -2.933 -6.677 14.551 753 HB3 LEU 89 2HB LEU 89 -4.679 -6.701 14.476 754 HG LEU 89 HG LEU 89 -3.145 -5.409 16.742 755 HD11 LEU 89 1HD1 LEU 89 -2.631 -4.314 14.591 756 HD12 LEU 89 2HD1 LEU 89 -3.627 -3.272 15.622 757 HD13 LEU 89 3HD1 LEU 89 -4.370 -4.138 14.258 758 HD21 LEU 89 3HD2 LEU 89 -5.282 -4.231 17.164 759 HD22 LEU 89 1HD2 LEU 89 -5.458 -5.985 17.341 760 HD23 LEU 89 2HD2 LEU 89 -6.054 -5.175 15.875 761 H ILE 90 H ILE 90 -2.709 -9.386 14.074 762 HA ILE 90 HA ILE 90 -5.193 -10.441 12.960 763 HB ILE 90 HB ILE 90 -2.312 -11.294 12.401 764 HG12 ILE 90 1HG1 ILE 90 -4.129 -9.568 10.680 765 HG13 ILE 90 2HG1 ILE 90 -3.002 -8.875 11.845 766 HG21 ILE 90 1HG2 ILE 90 -3.263 -12.320 10.323 767 HG22 ILE 90 2HG2 ILE 90 -3.990 -13.053 11.759 768 HG23 ILE 90 3HG2 ILE 90 -4.897 -11.842 10.826 769 HD11 ILE 90 3HD1 ILE 90 -2.018 -8.867 9.606 770 HD12 ILE 90 1HD1 ILE 90 -1.103 -9.946 10.682 771 HD13 ILE 90 2HD1 ILE 90 -2.222 -10.626 9.473 772 H ASP 91 H ASP 91 -2.604 -11.666 15.096 773 HA ASP 91 HA ASP 91 -3.433 -14.399 15.129 774 HB2 ASP 91 1HB ASP 91 -1.271 -13.300 15.989 775 HB3 ASP 91 2HB ASP 91 -2.169 -12.935 17.467 776 H LYS 92 H LYS 92 -4.644 -11.538 16.773 777 HA LYS 92 HA LYS 92 -6.740 -13.243 18.078 778 HB2 LYS 92 1HB LYS 92 -5.526 -10.647 19.095 779 HB3 LYS 92 2HB LYS 92 -6.826 -11.551 19.879 780 HG2 LYS 92 1HG LYS 92 -4.018 -12.634 19.420 781 HG3 LYS 92 2HG LYS 92 -4.587 -11.908 20.931 782 HD2 LYS 92 1HD LYS 92 -6.228 -13.658 21.248 783 HD3 LYS 92 2HD LYS 92 -5.914 -14.324 19.639 784 HE2 LYS 92 1HE LYS 92 -3.440 -14.166 21.119 785 HE3 LYS 92 2HE LYS 92 -4.670 -15.056 22.050 786 HZ1 LYS 92 3HZ LYS 92 -5.090 -16.341 19.966 787 HZ2 LYS 92 1HZ LYS 92 -3.582 -16.582 20.592 788 HZ3 LYS 92 2HZ LYS 92 -3.777 -15.612 19.274 789 H LYS 93 H LYS 93 -6.871 -12.157 15.397 790 HA LYS 93 HA LYS 93 -8.360 -9.703 15.403 791 HB2 LYS 93 1HB LYS 93 -8.898 -10.168 13.121 792 HB3 LYS 93 2HB LYS 93 -7.228 -10.638 13.416 793 HG2 LYS 93 1HG LYS 93 -7.933 -13.018 13.560 794 HG3 LYS 93 2HG LYS 93 -9.602 -12.519 13.220 795 HD2 LYS 93 1HD LYS 93 -8.847 -11.529 11.068 796 HD3 LYS 93 2HD LYS 93 -7.197 -12.083 11.408 797 HE2 LYS 93 1HE LYS 93 -8.281 -13.639 9.883 798 HE3 LYS 93 2HE LYS 93 -8.000 -14.428 11.445 799 HZ1 LYS 93 3HZ LYS 93 -10.591 -13.260 10.582 800 HZ2 LYS 93 1HZ LYS 93 -10.320 -14.064 11.998 801 HZ3 LYS 93 2HZ LYS 93 -10.228 -14.870 10.564 802 H GLU 94 H GLU 94 -9.235 -12.850 16.313 803 HA GLU 94 HA GLU 94 -11.991 -12.910 15.628 804 HB2 GLU 94 1HB GLU 94 -10.700 -14.172 18.067 805 HB3 GLU 94 2HB GLU 94 -12.083 -14.767 17.130 806 HG2 GLU 94 1HG GLU 94 -10.492 -14.979 15.166 807 HG3 GLU 94 2HG GLU 94 -9.166 -14.644 16.284 808 H VAL 95 H VAL 95 -10.221 -11.500 18.320 809 HA VAL 95 HA VAL 95 -12.801 -10.605 19.541 810 HB VAL 95 HB VAL 95 -11.484 -10.218 21.619 811 HG11 VAL 95 1HG1 VAL 95 -11.164 -13.049 20.521 812 HG12 VAL 95 2HG1 VAL 95 -11.213 -12.571 22.234 813 HG13 VAL 95 3HG1 VAL 95 -12.656 -12.379 21.219 814 HG21 VAL 95 3HG2 VAL 95 -9.177 -11.581 20.145 815 HG22 VAL 95 1HG2 VAL 95 -9.252 -9.847 20.544 816 HG23 VAL 95 2HG2 VAL 95 -9.196 -11.052 21.841 817 H ASN 96 H ASN 96 -10.806 -9.533 17.317 818 HA ASN 96 HA ASN 96 -10.962 -6.687 18.259 819 HB2 ASN 96 1HB ASN 96 -8.762 -8.140 16.777 820 HB3 ASN 96 2HB ASN 96 -9.000 -6.399 16.576 821 HD21 ASN 96 2HD2 ASN 96 -7.775 -8.883 18.602 822 HD22 ASN 96 1HD2 ASN 96 -7.187 -7.816 19.863 823 HA PRO 97 HA PRO 97 -13.438 -7.657 14.524 824 HB2 PRO 97 1HB PRO 97 -15.520 -5.910 14.911 825 HB3 PRO 97 2HB PRO 97 -15.426 -7.521 15.693 826 HG2 PRO 97 1HG PRO 97 -14.611 -4.847 16.810 827 HG3 PRO 97 2HG PRO 97 -15.678 -6.092 17.534 828 HD2 PRO 97 1HD PRO 97 -13.090 -5.939 18.225 829 HD3 PRO 97 2HD PRO 97 -13.871 -7.542 17.975 830 H GLN 98 H GLN 98 -12.218 -4.562 15.709 831 HA GLN 98 HA GLN 98 -12.777 -3.036 13.338 832 HB2 GLN 98 1HB GLN 98 -10.622 -2.817 15.478 833 HB3 GLN 98 2HB GLN 98 -10.715 -1.712 14.108 834 HG2 GLN 98 1HG GLN 98 -11.735 -0.642 15.971 835 HG3 GLN 98 2HG GLN 98 -13.008 -1.055 14.815 836 HE21 GLN 98 2HE2 GLN 98 -14.691 -1.110 16.282 837 HE22 GLN 98 1HE2 GLN 98 -14.812 -2.324 17.532 838 H VAL 99 H VAL 99 -9.908 -4.966 14.418 839 HA VAL 99 HA VAL 99 -8.621 -4.337 11.931 840 HB VAL 99 HB VAL 99 -7.427 -4.940 14.121 841 HG11 VAL 99 1HG1 VAL 99 -7.711 -7.776 13.047 842 HG12 VAL 99 2HG1 VAL 99 -6.904 -7.245 14.539 843 HG13 VAL 99 3HG1 VAL 99 -8.662 -7.142 14.397 844 HG21 VAL 99 3HG2 VAL 99 -6.513 -6.283 11.547 845 HG22 VAL 99 1HG2 VAL 99 -6.352 -4.547 11.904 846 HG23 VAL 99 2HG2 VAL 99 -5.485 -5.737 12.882 847 H MET 100 H MET 100 -10.708 -6.977 13.031 848 HA MET 100 HA MET 100 -10.128 -8.805 10.939 849 HB2 MET 100 1HB MET 100 -11.910 -8.582 13.049 850 HB3 MET 100 2HB MET 100 -12.959 -8.598 11.651 851 HG2 MET 100 1HG MET 100 -10.986 -10.700 12.538 852 HG3 MET 100 2HG MET 100 -12.738 -10.849 12.428 853 HE1 MET 100 3HE MET 100 -14.084 -11.258 10.199 854 HE2 MET 100 1HE MET 100 -13.498 -9.722 9.510 855 HE3 MET 100 2HE MET 100 -13.360 -11.225 8.572 856 H ALA 101 H ALA 101 -12.363 -6.006 11.078 857 HA ALA 101 HA ALA 101 -13.423 -6.366 8.434 858 HB1 ALA 101 3HB ALA 101 -13.099 -3.827 10.096 859 HB2 ALA 101 1HB ALA 101 -14.152 -4.019 8.673 860 HB3 ALA 101 2HB ALA 101 -14.487 -4.940 10.159 861 H ALA 102 H ALA 102 -10.436 -4.956 9.682 862 HA ALA 102 HA ALA 102 -9.799 -3.576 7.203 863 HB1 ALA 102 3HB ALA 102 -7.681 -3.063 8.300 864 HB2 ALA 102 1HB ALA 102 -9.007 -2.787 9.449 865 HB3 ALA 102 2HB ALA 102 -8.007 -4.250 9.576 866 H VAL 103 H VAL 103 -9.173 -6.770 8.679 867 HA VAL 103 HA VAL 103 -7.045 -7.547 6.897 868 HB VAL 103 HB VAL 103 -9.206 -9.251 8.264 869 HG11 VAL 103 1HG1 VAL 103 -6.651 -10.136 6.860 870 HG12 VAL 103 2HG1 VAL 103 -7.667 -11.182 7.876 871 HG13 VAL 103 3HG1 VAL 103 -8.317 -10.510 6.369 872 HG21 VAL 103 3HG2 VAL 103 -7.731 -8.089 9.850 873 HG22 VAL 103 1HG2 VAL 103 -7.396 -9.821 9.863 874 HG23 VAL 103 2HG2 VAL 103 -6.298 -8.708 9.013 875 H ALA 104 H ALA 104 -10.597 -7.914 6.771 876 HA ALA 104 HA ALA 104 -10.666 -9.161 4.216 877 HB1 ALA 104 3HB ALA 104 -12.571 -9.150 5.789 878 HB2 ALA 104 1HB ALA 104 -12.745 -7.389 5.587 879 HB3 ALA 104 2HB ALA 104 -13.049 -8.477 4.209 880 H GLN 105 H GLN 105 -11.034 -5.687 5.134 881 HA GLN 105 HA GLN 105 -11.394 -4.779 2.470 882 HB2 GLN 105 1HB GLN 105 -10.480 -3.480 5.038 883 HB3 GLN 105 2HB GLN 105 -10.421 -2.601 3.494 884 HG2 GLN 105 1HG GLN 105 -12.844 -3.172 3.167 885 HG3 GLN 105 2HG GLN 105 -12.864 -3.756 4.837 886 HE21 GLN 105 2HE2 GLN 105 -13.629 -2.309 6.216 887 HE22 GLN 105 1HE2 GLN 105 -13.459 -0.572 6.072 888 H THR 106 H THR 106 -8.354 -5.307 4.324 889 HA THR 106 HA THR 106 -6.769 -3.941 2.345 890 HB THR 106 HB THR 106 -5.840 -6.133 4.243 891 HG1 THR 106 HG1 THR 106 -6.778 -4.515 5.450 892 HG21 THR 106 1HG2 THR 106 -4.196 -5.527 2.502 893 HG22 THR 106 2HG2 THR 106 -3.690 -4.917 4.090 894 HG23 THR 106 3HG2 THR 106 -4.402 -3.810 2.905 895 H GLU 107 H GLU 107 -7.822 -7.380 2.771 896 HA GLU 107 HA GLU 107 -6.327 -8.325 0.500 897 HB2 GLU 107 1HB GLU 107 -8.851 -9.318 1.850 898 HB3 GLU 107 2HB GLU 107 -8.226 -10.042 0.369 899 HG2 GLU 107 1HG GLU 107 -5.995 -10.290 1.624 900 HG3 GLU 107 2HG GLU 107 -6.931 -9.971 3.091 901 H GLU 108 H GLU 108 -9.605 -6.857 0.779 902 HA GLU 108 HA GLU 108 -10.363 -7.275 -1.946 903 HB2 GLU 108 1HB GLU 108 -11.020 -5.009 -0.025 904 HB3 GLU 108 2HB GLU 108 -11.760 -5.184 -1.612 905 HG2 GLU 108 1HG GLU 108 -12.802 -7.275 -0.952 906 HG3 GLU 108 2HG GLU 108 -11.968 -7.234 0.606 907 H ILE 109 H ILE 109 -8.596 -4.596 -0.360 908 HA ILE 109 HA ILE 109 -8.363 -3.035 -2.769 909 HB ILE 109 HB ILE 109 -6.761 -2.977 -0.170 910 HG12 ILE 109 1HG1 ILE 109 -8.804 -0.962 -1.159 911 HG13 ILE 109 2HG1 ILE 109 -9.321 -2.414 -0.310 912 HG21 ILE 109 1HG2 ILE 109 -5.353 -1.969 -1.906 913 HG22 ILE 109 2HG2 ILE 109 -6.730 -1.073 -2.573 914 HG23 ILE 109 3HG2 ILE 109 -6.072 -0.642 -0.973 915 HD11 ILE 109 3HD1 ILE 109 -7.525 -0.239 0.805 916 HD12 ILE 109 1HD1 ILE 109 -9.201 -0.611 1.269 917 HD13 ILE 109 2HD1 ILE 109 -7.907 -1.767 1.640 918 H LEU 110 H LEU 110 -6.201 -5.451 -1.216 919 HA LEU 110 HA LEU 110 -3.992 -4.980 -2.980 920 HB2 LEU 110 1HB LEU 110 -4.893 -7.092 -1.095 921 HB3 LEU 110 2HB LEU 110 -3.803 -7.636 -2.360 922 HG LEU 110 HG LEU 110 -2.037 -6.279 -1.610 923 HD11 LEU 110 1HD1 LEU 110 -3.041 -4.150 -1.117 924 HD12 LEU 110 2HD1 LEU 110 -2.227 -4.717 0.352 925 HD13 LEU 110 3HD1 LEU 110 -3.990 -4.842 0.213 926 HD21 LEU 110 3HD2 LEU 110 -1.773 -7.025 0.737 927 HD22 LEU 110 1HD2 LEU 110 -2.455 -8.303 -0.289 928 HD23 LEU 110 2HD2 LEU 110 -3.514 -7.386 0.807 929 H LYS 111 H LYS 111 -6.850 -7.089 -3.240 930 HA LYS 111 HA LYS 111 -5.899 -8.369 -5.669 931 HB2 LYS 111 1HB LYS 111 -8.576 -8.273 -4.312 932 HB3 LYS 111 2HB LYS 111 -8.228 -9.252 -5.751 933 HG2 LYS 111 1HG LYS 111 -6.621 -10.584 -4.575 934 HG3 LYS 111 2HG LYS 111 -6.596 -9.460 -3.205 935 HD2 LYS 111 1HD LYS 111 -9.020 -9.929 -2.893 936 HD3 LYS 111 2HD LYS 111 -8.837 -11.261 -4.053 937 HE2 LYS 111 1HE LYS 111 -7.125 -12.290 -2.615 938 HE3 LYS 111 2HE LYS 111 -7.174 -10.890 -1.534 939 HZ1 LYS 111 3HZ LYS 111 -9.269 -12.925 -1.888 940 HZ2 LYS 111 1HZ LYS 111 -9.552 -11.485 -1.135 941 HZ3 LYS 111 2HZ LYS 111 -8.446 -12.527 -0.506 942 H SER 112 H SER 112 -8.001 -5.602 -4.954 943 HA SER 112 HA SER 112 -8.888 -5.362 -7.739 944 HB2 SER 112 1HB SER 112 -10.288 -4.699 -5.759 945 HB3 SER 112 2HB SER 112 -9.133 -3.407 -5.415 946 HG SER 112 HG SER 112 -9.578 -2.632 -7.589 947 H ASN 113 H ASN 113 -6.815 -3.547 -5.517 948 HA ASN 113 HA ASN 113 -5.523 -1.724 -5.718 949 HB2 ASN 113 1HB ASN 113 -4.378 -3.637 -7.164 950 HB3 ASN 113 2HB ASN 113 -4.588 -2.441 -8.452 951 HD21 ASN 113 2HD2 ASN 113 -3.200 -3.089 -5.296 952 HD22 ASN 113 1HD2 ASN 113 -2.079 -1.748 -5.286 953 H SER 114 H SER 114 -4.691 -0.172 -8.016 954 HA SER 114 HA SER 114 -7.125 0.704 -9.389 955 HB2 SER 114 1HB SER 114 -7.231 1.815 -7.081 956 HB3 SER 114 2HB SER 114 -5.765 2.704 -7.551 957 HG SER 114 HG SER 114 -7.491 3.973 -8.145 958 H GLN 115 H GLN 115 -6.446 2.850 -10.647 959 HA GLN 115 HA GLN 115 -3.885 2.191 -11.935 960 HB2 GLN 115 1HB GLN 115 -6.106 2.809 -13.085 961 HB3 GLN 115 2HB GLN 115 -5.716 4.477 -12.661 962 HG2 GLN 115 1HG GLN 115 -3.539 4.209 -13.896 963 HG3 GLN 115 2HG GLN 115 -4.060 2.591 -14.386 964 HE21 GLN 115 2HE2 GLN 115 -4.027 5.858 -15.165 965 HE22 GLN 115 1HE2 GLN 115 -5.204 5.816 -16.457 966 H THR 116 H THR 116 -3.201 2.859 -9.526 967 HA THR 116 HA THR 116 -1.918 4.236 -8.212 968 HB THR 116 HB THR 116 -0.954 5.528 -10.720 969 HG1 THR 116 HG1 THR 116 0.138 3.623 -11.214 970 HG21 THR 116 1HG2 THR 116 0.175 6.036 -8.545 971 HG22 THR 116 2HG2 THR 116 1.253 5.182 -9.665 972 HG23 THR 116 3HG2 THR 116 0.485 4.297 -8.328 973 H ASP 117 H ASP 117 -4.175 5.310 -7.880 974 HA ASP 117 HA ASP 117 -4.714 7.945 -8.774 975 HB2 ASP 117 1HB ASP 117 -5.476 6.541 -6.186 976 HB3 ASP 117 2HB ASP 117 -6.133 8.104 -6.701 977 H LEU 118 H LEU 118 -2.791 9.204 -8.664 978 HA LEU 118 HA LEU 118 -2.006 10.093 -5.901 979 HB2 LEU 118 1HB LEU 118 -0.534 10.319 -8.552 980 HB3 LEU 118 2HB LEU 118 0.052 10.932 -7.008 981 HG LEU 118 HG LEU 118 -0.423 7.998 -7.616 982 HD11 LEU 118 1HD1 LEU 118 2.154 9.616 -7.548 983 HD12 LEU 118 2HD1 LEU 118 1.376 8.933 -8.998 984 HD13 LEU 118 3HD1 LEU 118 2.033 7.853 -7.754 985 HD21 LEU 118 3HD2 LEU 118 -0.581 8.463 -5.219 986 HD22 LEU 118 1HD2 LEU 118 0.945 9.379 -5.271 987 HD23 LEU 118 2HD2 LEU 118 0.940 7.627 -5.572 988 H GLU 119 H GLU 119 -1.103 12.530 -6.208 989 HA GLU 119 HA GLU 119 -1.805 14.732 -6.363 990 HB2 GLU 119 1HB GLU 119 -2.010 13.676 -9.191 991 HB3 GLU 119 2HB GLU 119 -2.251 15.385 -8.811 992 HG2 GLU 119 1HG GLU 119 0.248 14.009 -7.870 993 HG3 GLU 119 2HG GLU 119 0.093 14.545 -9.553 994 H HIS 120 H HIS 120 -3.878 13.500 -5.159 995 HA HIS 120 HA HIS 120 -6.354 13.547 -6.565 996 HB2 HIS 120 1HB HIS 120 -5.772 13.921 -3.600 997 HB3 HIS 120 2HB HIS 120 -7.399 13.760 -4.276 998 HD1 HIS 120 HD1 HIS 120 -7.536 11.543 -2.673 999 HD2 HIS 120 HD2 HIS 120 -4.907 11.335 -5.942 1000 HE1 HIS 120 HE1 HIS 120 -6.965 9.081 -3.018 1001 H HIS 121 H HIS 121 -7.698 15.124 -7.132 1002 HA HIS 121 HA HIS 121 -6.507 17.607 -7.583 1003 HB2 HIS 121 1HB HIS 121 -8.744 16.221 -8.475 1004 HB3 HIS 121 2HB HIS 121 -9.448 17.656 -7.724 1005 HD1 HIS 121 HD1 HIS 121 -10.182 18.569 -10.094 1006 HD2 HIS 121 HD2 HIS 121 -6.041 18.033 -9.652 1007 HE1 HIS 121 HE1 HIS 121 -9.063 19.759 -12.055 1008 H HIS 122 H HIS 122 -6.492 19.544 -6.745 1009 HA HIS 122 HA HIS 122 -6.817 21.333 -5.360 1010 HB2 HIS 122 1HB HIS 122 -9.403 20.403 -5.838 1011 HB3 HIS 122 2HB HIS 122 -9.338 20.533 -4.080 1012 HD1 HIS 122 HD1 HIS 122 -8.304 22.750 -7.091 1013 HD2 HIS 122 HD2 HIS 122 -10.085 23.057 -3.305 1014 HE1 HIS 122 HE1 HIS 122 -8.941 25.197 -6.767 1015 H HIS 123 H HIS 123 -7.487 21.795 -2.845 1016 HA HIS 123 HA HIS 123 -6.654 21.596 -0.700 1017 HB2 HIS 123 1HB HIS 123 -7.416 18.814 -1.377 1018 HB3 HIS 123 2HB HIS 123 -6.147 18.910 -0.167 1019 HD1 HIS 123 HD1 HIS 123 -6.763 19.833 2.202 1020 HD2 HIS 123 HD2 HIS 123 -9.949 19.793 -0.550 1021 HE1 HIS 123 HE1 HIS 123 -8.913 20.230 3.523 1022 H HIS 124 H HIS 124 -4.631 20.315 0.504 1023 HA HIS 124 HA HIS 124 -2.432 19.548 -1.186 1024 HB2 HIS 124 1HB HIS 124 -2.354 22.071 -1.550 1025 HB3 HIS 124 2HB HIS 124 -2.035 22.247 0.177 1026 HD1 HIS 124 HD1 HIS 124 -0.518 20.548 -2.933 1027 HD2 HIS 124 HD2 HIS 124 0.643 21.979 0.837 1028 HE1 HIS 124 HE1 HIS 124 2.022 20.369 -2.818 1029 H HIS 125 H HIS 125 -3.468 21.100 1.809 1030 HA HIS 125 HA HIS 125 -2.405 18.760 3.306 1031 HB2 HIS 125 1HB HIS 125 -2.060 20.096 5.258 1032 HB3 HIS 125 2HB HIS 125 -1.216 20.951 3.963 1033 HD1 HIS 125 HD1 HIS 125 -4.648 21.028 5.715 1034 HD2 HIS 125 HD2 HIS 125 -1.902 23.624 3.890 1035 HE1 HIS 125 HE1 HIS 125 -5.528 23.413 6.053 Start of MODEL 24 1 H21 MYR 1 1H2 MYR 1 1.199 0.010 -1.438 2 H22 MYR 1 2H2 MYR 1 2.549 -0.268 -0.344 3 H31 MYR 1 1H3 MYR 1 -0.053 -1.711 0.296 4 H32 MYR 1 2H3 MYR 1 0.768 -2.242 -1.164 5 H41 MYR 1 1H4 MYR 1 2.713 -2.978 -0.006 6 H42 MYR 1 2H4 MYR 1 2.379 -2.030 1.431 7 H51 MYR 1 1H5 MYR 1 0.435 -4.264 0.647 8 H52 MYR 1 2H5 MYR 1 1.978 -4.679 1.384 9 H61 MYR 1 1H6 MYR 1 1.466 -3.177 3.340 10 H62 MYR 1 2H6 MYR 1 -0.113 -2.807 2.649 11 H71 MYR 1 1H7 MYR 1 -0.831 -5.153 2.876 12 H72 MYR 1 2H7 MYR 1 0.797 -5.660 3.335 13 H81 MYR 1 1H8 MYR 1 0.658 -4.300 5.433 14 H82 MYR 1 2H8 MYR 1 -0.959 -3.748 4.988 15 H91 MYR 1 1H9 MYR 1 -0.201 -6.695 5.412 16 H92 MYR 1 2H9 MYR 1 -1.819 -6.094 5.102 17 H101 MYR 1 1H10 MYR 1 -0.175 -5.269 7.559 18 H102 MYR 1 2H10 MYR 1 -1.169 -6.706 7.562 19 H111 MYR 1 1H11 MYR 1 -2.133 -4.486 8.562 20 H112 MYR 1 2H11 MYR 1 -2.387 -3.960 6.908 21 H121 MYR 1 1H12 MYR 1 -3.875 -5.927 6.495 22 H122 MYR 1 2H12 MYR 1 -3.556 -6.559 8.106 23 H131 MYR 1 1H13 MYR 1 -4.795 -3.784 7.668 24 H132 MYR 1 2H13 MYR 1 -5.774 -5.224 7.696 25 H141 MYR 1 1H14 MYR 1 -4.976 -5.749 10.030 26 H142 MYR 1 2H14 MYR 1 -4.028 -4.248 10.021 27 H143 MYR 1 3H14 MYR 1 -5.795 -4.183 9.926 28 H GLY 2 H GLY 2 2.127 0.024 1.946 29 HA2 GLY 2 1HA GLY 2 -0.039 0.879 3.326 30 HA3 GLY 2 2HA GLY 2 1.597 1.370 3.729 31 H GLN 3 H GLN 3 2.020 3.157 1.426 32 HA GLN 3 HA GLN 3 0.772 5.454 2.653 33 HB2 GLN 3 1HB GLN 3 2.327 5.140 0.076 34 HB3 GLN 3 2HB GLN 3 1.702 6.690 0.674 35 HG2 GLN 3 1HG GLN 3 2.984 6.360 2.794 36 HG3 GLN 3 2HG GLN 3 3.677 4.886 2.119 37 HE21 GLN 3 2HE2 GLN 3 3.271 7.131 -0.362 38 HE22 GLN 3 1HE2 GLN 3 4.880 7.808 -0.354 39 H GLU 4 H GLU 4 -0.271 3.408 -0.074 40 HA GLU 4 HA GLU 4 -2.184 5.426 -0.992 41 HB2 GLU 4 1HB GLU 4 -2.750 3.977 -2.644 42 HB3 GLU 4 2HB GLU 4 -1.167 3.308 -2.248 43 HG2 GLU 4 1HG GLU 4 -2.281 1.585 -0.843 44 HG3 GLU 4 2HG GLU 4 -3.857 2.254 -1.268 45 H LEU 5 H LEU 5 -2.095 2.808 1.372 46 HA LEU 5 HA LEU 5 -4.920 2.585 1.676 47 HB2 LEU 5 1HB LEU 5 -2.547 1.814 3.357 48 HB3 LEU 5 2HB LEU 5 -4.146 1.752 4.045 49 HG LEU 5 HG LEU 5 -3.830 -0.430 3.430 50 HD11 LEU 5 1HD1 LEU 5 -5.894 0.450 2.485 51 HD12 LEU 5 2HD1 LEU 5 -5.248 -0.984 1.670 52 HD13 LEU 5 3HD1 LEU 5 -5.052 0.619 0.925 53 HD21 LEU 5 3HD2 LEU 5 -2.570 0.398 0.826 54 HD22 LEU 5 1HD2 LEU 5 -2.802 -1.260 1.406 55 HD23 LEU 5 2HD2 LEU 5 -1.706 -0.167 2.267 56 H SER 6 H SER 6 -2.548 4.723 3.275 57 HA SER 6 HA SER 6 -4.337 5.911 5.116 58 HB2 SER 6 1HB SER 6 -2.606 7.929 4.132 59 HB3 SER 6 2HB SER 6 -2.389 6.926 5.582 60 HG SER 6 HG SER 6 -1.434 6.462 2.942 61 H GLN 7 H GLN 7 -4.360 6.201 1.659 62 HA GLN 7 HA GLN 7 -5.795 8.807 1.817 63 HB2 GLN 7 1HB GLN 7 -4.821 7.182 -0.560 64 HB3 GLN 7 2HB GLN 7 -5.539 8.797 -0.636 65 HG2 GLN 7 1HG GLN 7 -3.653 9.710 0.659 66 HG3 GLN 7 2HG GLN 7 -2.950 8.093 0.800 67 HE21 GLN 7 2HE2 GLN 7 -1.511 7.483 -0.646 68 HE22 GLN 7 1HE2 GLN 7 -1.266 8.250 -2.203 69 H HIS 8 H HIS 8 -6.332 5.420 1.573 70 HA HIS 8 HA HIS 8 -8.821 5.619 0.035 71 HB2 HIS 8 1HB HIS 8 -7.204 3.667 0.024 72 HB3 HIS 8 2HB HIS 8 -7.723 3.278 1.651 73 HD1 HIS 8 HD1 HIS 8 -9.950 4.305 -1.325 74 HD2 HIS 8 HD2 HIS 8 -9.242 1.032 1.195 75 HE1 HIS 8 HE1 HIS 8 -11.657 2.512 -1.933 76 H GLU 9 H GLU 9 -10.264 6.932 1.224 77 HA GLU 9 HA GLU 9 -10.510 6.916 4.002 78 HB2 GLU 9 1HB GLU 9 -11.450 8.639 2.566 79 HB3 GLU 9 2HB GLU 9 -12.650 7.502 1.948 80 HG2 GLU 9 1HG GLU 9 -13.728 8.912 3.556 81 HG3 GLU 9 2HG GLU 9 -13.603 7.298 4.251 82 H ARG 10 H ARG 10 -12.260 4.741 1.723 83 HA ARG 10 HA ARG 10 -14.055 3.682 3.600 84 HB2 ARG 10 1HB ARG 10 -13.893 3.303 1.082 85 HB3 ARG 10 2HB ARG 10 -12.652 2.100 1.431 86 HG2 ARG 10 1HG ARG 10 -14.687 0.935 1.119 87 HG3 ARG 10 2HG ARG 10 -14.349 0.888 2.855 88 HD2 ARG 10 1HD ARG 10 -16.027 3.146 1.805 89 HD3 ARG 10 2HD ARG 10 -16.747 1.544 1.858 90 HE ARG 10 HE ARG 10 -16.157 3.295 4.115 91 HH11 ARG 10 1HH1 ARG 10 -16.637 -0.113 3.240 92 HH12 ARG 10 2HH1 ARG 10 -17.111 -0.548 4.859 93 HH21 ARG 10 1HH2 ARG 10 -16.792 2.662 6.130 94 HH22 ARG 10 2HH2 ARG 10 -17.173 0.986 6.466 95 H TYR 11 H TYR 11 -10.641 2.944 3.175 96 HA TYR 11 HA TYR 11 -10.751 0.689 5.083 97 HB2 TYR 11 1HB TYR 11 -9.313 0.475 3.167 98 HB3 TYR 11 2HB TYR 11 -8.548 2.032 3.491 99 HD1 TYR 11 HD2 TYR 11 -9.055 -1.351 5.078 100 HD2 TYR 11 HD1 TYR 11 -6.537 2.112 4.662 101 HE1 TYR 11 HE2 TYR 11 -7.264 -2.472 6.400 102 HE2 TYR 11 HE1 TYR 11 -4.764 0.958 5.968 103 HH TYR 11 HH TYR 11 -4.093 -0.948 6.968 104 H VAL 12 H VAL 12 -9.497 4.020 4.810 105 HA VAL 12 HA VAL 12 -8.246 4.185 7.358 106 HB VAL 12 HB VAL 12 -9.614 6.315 5.673 107 HG11 VAL 12 1HG1 VAL 12 -7.795 6.659 8.070 108 HG12 VAL 12 2HG1 VAL 12 -8.286 7.958 6.959 109 HG13 VAL 12 3HG1 VAL 12 -9.501 7.131 7.945 110 HG21 VAL 12 3HG2 VAL 12 -6.666 5.687 6.062 111 HG22 VAL 12 1HG2 VAL 12 -7.627 5.159 4.673 112 HG23 VAL 12 2HG2 VAL 12 -7.371 6.885 4.954 113 H GLU 13 H GLU 13 -11.704 4.459 6.464 114 HA GLU 13 HA GLU 13 -12.761 5.457 8.876 115 HB2 GLU 13 1HB GLU 13 -13.737 3.381 6.911 116 HB3 GLU 13 2HB GLU 13 -14.671 3.765 8.356 117 HG2 GLU 13 1HG GLU 13 -14.920 6.075 7.657 118 HG3 GLU 13 2HG GLU 13 -13.881 5.798 6.256 119 H GLN 14 H GLN 14 -11.820 2.077 8.097 120 HA GLN 14 HA GLN 14 -12.647 1.102 10.704 121 HB2 GLN 14 1HB GLN 14 -10.784 -0.095 8.615 122 HB3 GLN 14 2HB GLN 14 -11.327 -0.922 10.077 123 HG2 GLN 14 1HG GLN 14 -13.070 0.010 7.777 124 HG3 GLN 14 2HG GLN 14 -12.638 -1.660 8.180 125 HE21 GLN 14 2HE2 GLN 14 -13.101 -2.030 10.754 126 HE22 GLN 14 1HE2 GLN 14 -14.750 -1.619 11.174 127 H LEU 15 H LEU 15 -9.532 2.155 9.256 128 HA LEU 15 HA LEU 15 -8.034 1.386 11.593 129 HB2 LEU 15 1HB LEU 15 -7.431 3.260 9.311 130 HB3 LEU 15 2HB LEU 15 -6.327 3.017 10.649 131 HG LEU 15 HG LEU 15 -7.096 1.051 8.508 132 HD11 LEU 15 1HD1 LEU 15 -5.301 2.621 8.045 133 HD12 LEU 15 2HD1 LEU 15 -4.607 1.009 8.299 134 HD13 LEU 15 3HD1 LEU 15 -4.501 2.223 9.588 135 HD21 LEU 15 3HD2 LEU 15 -5.646 -0.624 9.692 136 HD22 LEU 15 1HD2 LEU 15 -7.164 -0.301 10.544 137 HD23 LEU 15 2HD2 LEU 15 -5.648 0.431 11.126 138 H LYS 16 H LYS 16 -9.906 4.260 10.865 139 HA LYS 16 HA LYS 16 -8.745 6.003 12.833 140 HB2 LYS 16 1HB LYS 16 -11.472 5.727 11.571 141 HB3 LYS 16 2HB LYS 16 -11.239 6.847 12.915 142 HG2 LYS 16 1HG LYS 16 -9.752 8.212 11.694 143 HG3 LYS 16 2HG LYS 16 -9.466 6.968 10.465 144 HD2 LYS 16 1HD LYS 16 -11.723 7.201 9.605 145 HD3 LYS 16 2HD LYS 16 -12.159 8.323 10.907 146 HE2 LYS 16 1HE LYS 16 -10.710 10.033 10.045 147 HE3 LYS 16 2HE LYS 16 -9.918 8.902 8.937 148 HZ1 LYS 16 3HZ LYS 16 -11.903 8.756 7.636 149 HZ2 LYS 16 1HZ LYS 16 -11.558 10.348 7.829 150 HZ3 LYS 16 2HZ LYS 16 -12.771 9.664 8.712 151 H GLN 17 H GLN 17 -11.073 3.340 13.010 152 HA GLN 17 HA GLN 17 -11.428 3.748 15.896 153 HB2 GLN 17 1HB GLN 17 -12.307 1.490 14.071 154 HB3 GLN 17 2HB GLN 17 -12.765 1.680 15.762 155 HG2 GLN 17 1HG GLN 17 -13.448 3.675 13.578 156 HG3 GLN 17 2HG GLN 17 -14.518 2.386 14.135 157 HE21 GLN 17 2HE2 GLN 17 -15.325 5.001 14.223 158 HE22 GLN 17 1HE2 GLN 17 -15.447 5.516 15.888 159 H ALA 18 H ALA 18 -9.673 1.479 13.724 160 HA ALA 18 HA ALA 18 -8.918 -0.260 15.846 161 HB1 ALA 18 3HB ALA 18 -7.431 -1.305 14.233 162 HB2 ALA 18 1HB ALA 18 -9.014 -0.950 13.504 163 HB3 ALA 18 2HB ALA 18 -7.604 0.084 13.139 164 H LEU 19 H LEU 19 -7.057 2.517 14.418 165 HA LEU 19 HA LEU 19 -4.639 1.987 15.910 166 HB2 LEU 19 1HB LEU 19 -5.872 4.421 14.632 167 HB3 LEU 19 2HB LEU 19 -4.675 4.684 15.881 168 HG LEU 19 HG LEU 19 -3.074 3.252 14.484 169 HD11 LEU 19 1HD1 LEU 19 -5.191 3.864 12.393 170 HD12 LEU 19 2HD1 LEU 19 -4.560 2.265 12.856 171 HD13 LEU 19 3HD1 LEU 19 -3.513 3.431 12.006 172 HD21 LEU 19 3HD2 LEU 19 -2.909 5.709 14.767 173 HD22 LEU 19 1HD2 LEU 19 -4.034 5.938 13.416 174 HD23 LEU 19 2HD2 LEU 19 -2.436 5.214 13.124 175 H LYS 20 H LYS 20 -7.619 3.772 16.563 176 HA LYS 20 HA LYS 20 -6.918 4.780 19.140 177 HB2 LYS 20 1HB LYS 20 -8.730 5.691 17.780 178 HB3 LYS 20 2HB LYS 20 -9.574 4.159 17.815 179 HG2 LYS 20 1HG LYS 20 -9.368 4.756 20.518 180 HG3 LYS 20 2HG LYS 20 -9.572 6.346 19.773 181 HD2 LYS 20 1HD LYS 20 -11.775 5.557 20.227 182 HD3 LYS 20 2HD LYS 20 -11.546 5.335 18.481 183 HE2 LYS 20 1HE LYS 20 -10.963 2.931 18.895 184 HE3 LYS 20 2HE LYS 20 -11.262 3.176 20.627 185 HZ1 LYS 20 3HZ LYS 20 -13.172 2.223 19.531 186 HZ2 LYS 20 1HZ LYS 20 -13.262 3.473 18.456 187 HZ3 LYS 20 2HZ LYS 20 -13.556 3.737 20.061 188 H THR 21 H THR 21 -8.624 1.732 18.177 189 HA THR 21 HA THR 21 -9.185 1.119 20.938 190 HB THR 21 HB THR 21 -10.416 0.287 18.775 191 HG1 THR 21 HG1 THR 21 -9.916 -1.381 21.029 192 HG21 THR 21 1HG2 THR 21 -8.582 -2.093 19.249 193 HG22 THR 21 2HG2 THR 21 -8.385 -0.963 17.891 194 HG23 THR 21 3HG2 THR 21 -9.867 -1.920 18.034 195 H ARG 22 H ARG 22 -6.369 0.595 18.964 196 HA ARG 22 HA ARG 22 -5.249 -1.502 20.675 197 HB2 ARG 22 1HB ARG 22 -4.533 -0.081 18.271 198 HB3 ARG 22 2HB ARG 22 -3.229 0.100 19.430 199 HG2 ARG 22 1HG ARG 22 -4.365 -2.542 18.471 200 HG3 ARG 22 2HG ARG 22 -2.876 -1.789 17.902 201 HD2 ARG 22 1HD ARG 22 -3.441 -3.006 20.612 202 HD3 ARG 22 2HD ARG 22 -2.205 -3.457 19.431 203 HE ARG 22 HE ARG 22 -1.851 -0.766 20.402 204 HH11 ARG 22 1HH1 ARG 22 -1.253 -4.145 21.303 205 HH12 ARG 22 2HH1 ARG 22 0.042 -3.696 22.382 206 HH21 ARG 22 1HH2 ARG 22 -0.211 -0.303 21.808 207 HH22 ARG 22 2HH2 ARG 22 0.610 -1.576 22.668 208 H GLY 23 H GLY 23 -5.819 1.873 20.993 209 HA2 GLY 23 1HA GLY 23 -5.259 3.323 22.696 210 HA3 GLY 23 2HA GLY 23 -4.475 1.976 23.538 211 H VAL 24 H VAL 24 -3.477 2.634 20.262 212 HA VAL 24 HA VAL 24 -0.876 3.482 21.409 213 HB VAL 24 HB VAL 24 -0.829 1.372 20.175 214 HG11 VAL 24 1HG1 VAL 24 -2.691 1.958 18.533 215 HG12 VAL 24 2HG1 VAL 24 -1.492 2.878 17.620 216 HG13 VAL 24 3HG1 VAL 24 -1.287 1.128 17.849 217 HG21 VAL 24 3HG2 VAL 24 0.645 3.622 18.775 218 HG22 VAL 24 1HG2 VAL 24 1.180 2.743 20.224 219 HG23 VAL 24 2HG2 VAL 24 1.054 1.902 18.667 220 H LYS 25 H LYS 25 -0.265 5.463 21.297 221 HA LYS 25 HA LYS 25 -1.712 7.346 19.560 222 HB2 LYS 25 1HB LYS 25 -1.198 7.777 21.991 223 HB3 LYS 25 2HB LYS 25 0.515 7.858 21.573 224 HG2 LYS 25 1HG LYS 25 0.019 9.781 20.057 225 HG3 LYS 25 2HG LYS 25 -1.680 9.711 20.570 226 HD2 LYS 25 1HD LYS 25 -0.961 10.070 22.921 227 HD3 LYS 25 2HD LYS 25 0.725 10.180 22.375 228 HE2 LYS 25 1HE LYS 25 0.122 12.129 20.955 229 HE3 LYS 25 2HE LYS 25 -1.548 12.036 21.558 230 HZ1 LYS 25 3HZ LYS 25 -0.690 12.433 23.795 231 HZ2 LYS 25 1HZ LYS 25 -0.246 13.664 22.791 232 HZ3 LYS 25 2HZ LYS 25 0.858 12.521 23.231 233 H VAL 26 H VAL 26 -0.933 6.582 17.521 234 HA VAL 26 HA VAL 26 1.871 7.474 16.933 235 HB VAL 26 HB VAL 26 1.575 5.845 14.876 236 HG11 VAL 26 1HG1 VAL 26 2.093 4.854 17.708 237 HG12 VAL 26 2HG1 VAL 26 2.494 3.946 16.230 238 HG13 VAL 26 3HG1 VAL 26 3.279 5.503 16.556 239 HG21 VAL 26 3HG2 VAL 26 -0.349 4.533 16.836 240 HG22 VAL 26 1HG2 VAL 26 -0.810 5.334 15.320 241 HG23 VAL 26 2HG2 VAL 26 0.202 3.881 15.280 242 H LYS 27 H LYS 27 2.186 8.458 14.896 243 HA LYS 27 HA LYS 27 -0.030 10.168 14.067 244 HB2 LYS 27 1HB LYS 27 2.320 10.933 13.965 245 HB3 LYS 27 2HB LYS 27 2.728 9.593 12.906 246 HG2 LYS 27 1HG LYS 27 1.413 10.539 11.088 247 HG3 LYS 27 2HG LYS 27 0.799 11.813 12.157 248 HD2 LYS 27 1HD LYS 27 2.554 12.776 10.791 249 HD3 LYS 27 2HD LYS 27 3.166 12.644 12.449 250 HE2 LYS 27 1HE LYS 27 4.394 10.573 11.834 251 HE3 LYS 27 2HE LYS 27 3.772 10.687 10.179 252 HZ1 LYS 27 3HZ LYS 27 4.990 12.769 9.938 253 HZ2 LYS 27 1HZ LYS 27 6.017 11.549 10.360 254 HZ3 LYS 27 2HZ LYS 27 5.558 12.664 11.485 255 H PHE 28 H PHE 28 -1.470 9.731 12.435 256 HA PHE 28 HA PHE 28 -1.927 7.053 11.705 257 HB2 PHE 28 1HB PHE 28 -3.282 9.425 11.511 258 HB3 PHE 28 2HB PHE 28 -2.853 9.187 9.816 259 HD1 PHE 28 HD2 PHE 28 -3.621 7.057 8.641 260 HD2 PHE 28 HD1 PHE 28 -5.001 8.199 12.552 261 HE1 PHE 28 HE2 PHE 28 -5.559 5.499 8.413 262 HE2 PHE 28 HE1 PHE 28 -6.925 6.656 12.332 263 HZ PHE 28 HZ PHE 28 -7.224 5.321 10.256 264 H ALA 29 H ALA 29 -0.443 9.653 9.715 265 HA ALA 29 HA ALA 29 0.011 8.031 7.439 266 HB1 ALA 29 3HB ALA 29 1.654 9.764 6.801 267 HB2 ALA 29 1HB ALA 29 0.149 10.495 7.403 268 HB3 ALA 29 2HB ALA 29 1.594 10.440 8.445 269 H ASP 30 H ASP 30 1.827 8.340 10.464 270 HA ASP 30 HA ASP 30 4.216 7.052 9.447 271 HB2 ASP 30 1HB ASP 30 3.999 8.575 11.498 272 HB3 ASP 30 2HB ASP 30 3.322 7.185 12.345 273 H LEU 31 H LEU 31 1.293 6.011 11.254 274 HA LEU 31 HA LEU 31 2.163 3.359 11.712 275 HB2 LEU 31 1HB LEU 31 0.189 4.399 12.768 276 HB3 LEU 31 2HB LEU 31 -0.654 4.372 11.230 277 HG LEU 31 HG LEU 31 -1.203 2.606 13.044 278 HD11 LEU 31 1HD1 LEU 31 -0.677 1.597 10.239 279 HD12 LEU 31 2HD1 LEU 31 -2.049 2.622 10.703 280 HD13 LEU 31 3HD1 LEU 31 -1.880 1.003 11.402 281 HD21 LEU 31 3HD2 LEU 31 1.119 1.841 13.421 282 HD22 LEU 31 1HD2 LEU 31 1.157 1.207 11.756 283 HD23 LEU 31 2HD2 LEU 31 0.021 0.532 12.943 284 H LEU 32 H LEU 32 0.185 4.733 9.088 285 HA LEU 32 HA LEU 32 0.117 2.357 7.506 286 HB2 LEU 32 1HB LEU 32 -0.193 5.287 6.915 287 HB3 LEU 32 2HB LEU 32 -0.081 4.145 5.592 288 HG LEU 32 HG LEU 32 -2.369 4.647 6.010 289 HD11 LEU 32 1HD1 LEU 32 -2.075 1.903 7.164 290 HD12 LEU 32 2HD1 LEU 32 -1.680 2.259 5.465 291 HD13 LEU 32 3HD1 LEU 32 -3.320 2.545 6.079 292 HD21 LEU 32 3HD2 LEU 32 -2.229 5.329 8.297 293 HD22 LEU 32 1HD2 LEU 32 -1.979 3.647 8.815 294 HD23 LEU 32 2HD2 LEU 32 -3.514 4.148 8.050 295 H LYS 33 H LYS 33 2.646 4.829 7.782 296 HA LYS 33 HA LYS 33 4.014 4.081 5.384 297 HB2 LYS 33 1HB LYS 33 4.518 6.171 6.584 298 HB3 LYS 33 2HB LYS 33 5.137 5.251 7.956 299 HG2 LYS 33 1HG LYS 33 6.995 6.110 6.648 300 HG3 LYS 33 2HG LYS 33 6.952 4.345 6.558 301 HD2 LYS 33 1HD LYS 33 5.667 4.636 4.332 302 HD3 LYS 33 2HD LYS 33 6.083 6.349 4.419 303 HE2 LYS 33 1HE LYS 33 8.466 5.783 4.368 304 HE3 LYS 33 2HE LYS 33 8.077 4.047 4.423 305 HZ1 LYS 33 3HZ LYS 33 7.159 5.850 2.247 306 HZ2 LYS 33 1HZ LYS 33 7.034 4.207 2.281 307 HZ3 LYS 33 2HZ LYS 33 8.519 4.915 2.144 308 H PHE 34 H PHE 34 3.954 2.575 8.605 309 HA PHE 34 HA PHE 34 6.274 0.946 7.949 310 HB2 PHE 34 1HB PHE 34 4.300 0.982 10.175 311 HB3 PHE 34 2HB PHE 34 5.317 -0.442 9.934 312 HD1 PHE 34 HD2 PHE 34 5.485 3.259 10.337 313 HD2 PHE 34 HD1 PHE 34 7.590 -0.460 10.621 314 HE1 PHE 34 HE2 PHE 34 7.391 4.457 11.366 315 HE2 PHE 34 HE1 PHE 34 9.535 0.726 11.642 316 HZ PHE 34 HZ PHE 34 9.434 3.193 12.012 317 H PHE 35 H PHE 35 2.841 0.665 7.228 318 HA PHE 35 HA PHE 35 3.086 -2.115 6.350 319 HB2 PHE 35 1HB PHE 35 1.131 0.047 5.515 320 HB3 PHE 35 2HB PHE 35 1.040 -1.644 5.032 321 HD1 PHE 35 HD1 PHE 35 1.653 -3.081 7.547 322 HD2 PHE 35 HD2 PHE 35 -0.715 0.417 6.827 323 HE1 PHE 35 HE1 PHE 35 0.315 -3.586 9.553 324 HE2 PHE 35 HE2 PHE 35 -2.095 -0.081 8.836 325 HZ PHE 35 HZ PHE 35 -1.579 -2.083 10.216 326 H ASP 36 H ASP 36 3.831 1.057 5.072 327 HA ASP 36 HA ASP 36 4.096 0.212 2.304 328 HB2 ASP 36 1HB ASP 36 3.770 2.589 3.371 329 HB3 ASP 36 2HB ASP 36 5.531 2.556 3.534 330 H PHE 37 H PHE 37 6.132 0.304 5.172 331 HA PHE 37 HA PHE 37 8.651 -0.056 3.854 332 HB2 PHE 37 1HB PHE 37 8.288 0.714 6.217 333 HB3 PHE 37 2HB PHE 37 7.832 -0.937 6.645 334 HD1 PHE 37 HD2 PHE 37 10.634 1.212 5.463 335 HD2 PHE 37 HD1 PHE 37 9.490 -2.634 7.005 336 HE1 PHE 37 HE2 PHE 37 13.035 0.668 5.870 337 HE2 PHE 37 HE1 PHE 37 11.889 -3.205 7.380 338 HZ PHE 37 HZ PHE 37 13.664 -1.546 6.809 339 H VAL 38 H VAL 38 6.170 -2.379 5.010 340 HA VAL 38 HA VAL 38 7.800 -4.708 4.702 341 HB VAL 38 HB VAL 38 5.969 -5.936 5.218 342 HG11 VAL 38 1HG1 VAL 38 5.839 -3.930 6.677 343 HG12 VAL 38 2HG1 VAL 38 4.606 -3.308 5.563 344 HG13 VAL 38 3HG1 VAL 38 4.307 -4.801 6.464 345 HG21 VAL 38 3HG2 VAL 38 3.649 -5.667 4.286 346 HG22 VAL 38 1HG2 VAL 38 4.231 -4.299 3.315 347 HG23 VAL 38 2HG2 VAL 38 4.870 -5.941 3.036 348 H LYS 39 H LYS 39 6.244 -2.665 2.409 349 HA LYS 39 HA LYS 39 5.839 -4.546 0.352 350 HB2 LYS 39 1HB LYS 39 4.989 -2.161 0.424 351 HB3 LYS 39 2HB LYS 39 6.630 -1.638 0.054 352 HG2 LYS 39 1HG LYS 39 6.448 -3.074 -2.074 353 HG3 LYS 39 2HG LYS 39 4.721 -3.180 -1.720 354 HD2 LYS 39 1HD LYS 39 5.070 -1.377 -3.292 355 HD3 LYS 39 2HD LYS 39 4.619 -0.662 -1.735 356 HE2 LYS 39 1HE LYS 39 6.474 0.587 -2.821 357 HE3 LYS 39 2HE LYS 39 6.970 -0.097 -1.268 358 HZ1 LYS 39 3HZ LYS 39 8.669 -0.450 -2.938 359 HZ2 LYS 39 1HZ LYS 39 7.617 -1.244 -3.930 360 HZ3 LYS 39 2HZ LYS 39 8.052 -1.911 -2.486 361 H ASP 40 H ASP 40 8.687 -2.729 1.396 362 HA ASP 40 HA ASP 40 10.330 -3.334 -0.920 363 HB2 ASP 40 1HB ASP 40 10.581 -1.412 0.772 364 HB3 ASP 40 2HB ASP 40 11.253 -2.608 1.889 365 H THR 41 H THR 41 9.853 -4.715 2.314 366 HA THR 41 HA THR 41 12.014 -6.634 2.086 367 HB THR 41 HB THR 41 9.773 -7.108 3.988 368 HG1 THR 41 HG1 THR 41 11.339 -4.723 4.018 369 HG21 THR 41 1HG2 THR 41 11.506 -7.404 5.533 370 HG22 THR 41 2HG2 THR 41 12.659 -6.474 4.560 371 HG23 THR 41 3HG2 THR 41 12.137 -8.089 4.023 372 H CYS 42 H CYS 42 8.555 -6.666 1.508 373 HA CYS 42 HA CYS 42 8.717 -9.506 0.602 374 HB2 CYS 42 1HB CYS 42 6.642 -8.236 2.420 375 HB3 CYS 42 2HB CYS 42 6.440 -9.802 1.628 376 HG CYS 42 HG CYS 42 9.070 -9.097 3.432 377 HA PRO 43 HA PRO 43 6.464 -6.862 -2.455 378 HB2 PRO 43 1HB PRO 43 7.615 -7.821 -4.736 379 HB3 PRO 43 2HB PRO 43 8.396 -6.558 -3.729 380 HG2 PRO 43 1HG PRO 43 8.881 -9.532 -3.738 381 HG3 PRO 43 2HG PRO 43 10.073 -8.196 -3.841 382 HD2 PRO 43 1HD PRO 43 9.505 -9.455 -1.498 383 HD3 PRO 43 2HD PRO 43 9.874 -7.691 -1.562 384 H TRP 44 H TRP 44 7.055 -10.245 -2.007 385 HA TRP 44 HA TRP 44 4.933 -11.203 -3.747 386 HB2 TRP 44 1HB TRP 44 5.437 -13.311 -2.265 387 HB3 TRP 44 2HB TRP 44 6.582 -12.767 -3.503 388 HD1 TRP 44 HD1 TRP 44 6.032 -12.219 0.267 389 HE1 TRP 44 HE1 TRP 44 8.280 -11.966 1.467 390 HE3 TRP 44 HE3 TRP 44 9.003 -12.429 -3.856 391 HZ2 TRP 44 HZ2 TRP 44 11.021 -11.808 0.701 392 HZ3 TRP 44 HZ3 TRP 44 11.481 -12.193 -3.571 393 HH2 TRP 44 HH2 TRP 44 12.467 -11.874 -1.300 394 H PHE 45 H PHE 45 4.939 -9.682 -0.665 395 HA PHE 45 HA PHE 45 2.771 -11.226 0.474 396 HB2 PHE 45 1HB PHE 45 4.324 -9.834 1.820 397 HB3 PHE 45 2HB PHE 45 3.595 -8.381 1.141 398 HD1 PHE 45 HD2 PHE 45 1.160 -7.870 1.634 399 HD2 PHE 45 HD1 PHE 45 3.314 -11.029 3.609 400 HE1 PHE 45 HE2 PHE 45 -0.583 -7.950 3.398 401 HE2 PHE 45 HE1 PHE 45 1.579 -11.095 5.395 402 HZ PHE 45 HZ PHE 45 -0.370 -9.557 5.295 403 HA PRO 46 HA PRO 46 -0.177 -8.000 -1.173 404 HB2 PRO 46 1HB PRO 46 0.469 -6.329 -3.236 405 HB3 PRO 46 2HB PRO 46 0.738 -5.880 -1.521 406 HG2 PRO 46 1HG PRO 46 2.684 -7.062 -3.476 407 HG3 PRO 46 2HG PRO 46 2.851 -5.589 -2.463 408 HD2 PRO 46 1HD PRO 46 3.891 -7.919 -1.658 409 HD3 PRO 46 2HD PRO 46 3.077 -6.837 -0.485 410 H GLN 47 H GLN 47 2.204 -9.521 -3.261 411 HA GLN 47 HA GLN 47 0.593 -9.959 -5.565 412 HB2 GLN 47 1HB GLN 47 3.080 -10.297 -5.324 413 HB3 GLN 47 2HB GLN 47 2.740 -11.745 -4.374 414 HG2 GLN 47 1HG GLN 47 1.578 -12.730 -6.324 415 HG3 GLN 47 2HG GLN 47 2.025 -11.305 -7.277 416 HE21 GLN 47 2HE2 GLN 47 2.867 -13.584 -8.293 417 HE22 GLN 47 1HE2 GLN 47 4.567 -13.851 -7.987 418 H GLU 48 H GLU 48 1.054 -11.885 -2.553 419 HA GLU 48 HA GLU 48 -0.850 -13.927 -3.390 420 HB2 GLU 48 1HB GLU 48 0.310 -13.144 -0.698 421 HB3 GLU 48 2HB GLU 48 -0.869 -14.446 -0.906 422 HG2 GLU 48 1HG GLU 48 0.697 -15.594 -2.445 423 HG3 GLU 48 2HG GLU 48 1.901 -14.331 -2.123 424 H GLY 49 H GLY 49 -0.957 -10.928 -1.472 425 HA2 GLY 49 1HA GLY 49 -2.742 -9.719 -0.666 426 HA3 GLY 49 2HA GLY 49 -3.700 -10.435 -1.961 427 H THR 50 H THR 50 -2.113 -12.271 0.587 428 HA THR 50 HA THR 50 -4.812 -12.978 1.677 429 HB THR 50 HB THR 50 -2.333 -14.757 1.508 430 HG1 THR 50 HG1 THR 50 -3.700 -14.165 -0.486 431 HG21 THR 50 1HG2 THR 50 -5.205 -15.248 2.384 432 HG22 THR 50 2HG2 THR 50 -3.723 -15.403 3.366 433 HG23 THR 50 3HG2 THR 50 -4.032 -16.541 2.040 434 H ILE 51 H ILE 51 -5.033 -12.340 3.736 435 HA ILE 51 HA ILE 51 -2.503 -11.749 5.238 436 HB ILE 51 HB ILE 51 -5.080 -10.131 5.216 437 HG12 ILE 51 1HG1 ILE 51 -2.312 -9.469 4.142 438 HG13 ILE 51 2HG1 ILE 51 -3.660 -9.977 3.137 439 HG21 ILE 51 1HG2 ILE 51 -2.406 -9.518 6.600 440 HG22 ILE 51 2HG2 ILE 51 -3.891 -8.534 6.653 441 HG23 ILE 51 3HG2 ILE 51 -3.858 -10.118 7.439 442 HD11 ILE 51 3HD1 ILE 51 -4.929 -8.000 3.889 443 HD12 ILE 51 1HD1 ILE 51 -3.477 -7.447 4.749 444 HD13 ILE 51 2HD1 ILE 51 -3.447 -7.627 2.986 445 H ASP 52 H ASP 52 -2.306 -13.279 6.598 446 HA ASP 52 HA ASP 52 -4.307 -13.539 8.756 447 HB2 ASP 52 1HB ASP 52 -4.783 -15.493 7.299 448 HB3 ASP 52 2HB ASP 52 -3.052 -15.882 7.281 449 H ILE 53 H ILE 53 -3.063 -14.664 10.621 450 HA ILE 53 HA ILE 53 -0.593 -13.253 10.880 451 HB ILE 53 HB ILE 53 -2.149 -13.831 12.682 452 HG12 ILE 53 1HG1 ILE 53 -0.407 -14.390 14.382 453 HG13 ILE 53 2HG1 ILE 53 0.694 -14.816 13.084 454 HG21 ILE 53 1HG2 ILE 53 -2.126 -16.021 13.750 455 HG22 ILE 53 2HG2 ILE 53 -2.698 -16.128 12.073 456 HG23 ILE 53 3HG2 ILE 53 -1.041 -16.640 12.486 457 HD11 ILE 53 3HD1 ILE 53 0.922 -12.576 12.380 458 HD12 ILE 53 1HD1 ILE 53 -0.483 -12.051 13.339 459 HD13 ILE 53 2HD1 ILE 53 1.017 -12.550 14.151 460 H LYS 54 H LYS 54 -1.362 -16.493 9.748 461 HA LYS 54 HA LYS 54 1.363 -17.494 9.940 462 HB2 LYS 54 1HB LYS 54 -0.824 -18.211 7.953 463 HB3 LYS 54 2HB LYS 54 0.639 -19.156 8.254 464 HG2 LYS 54 1HG LYS 54 -1.484 -18.592 10.366 465 HG3 LYS 54 2HG LYS 54 -1.474 -20.028 9.341 466 HD2 LYS 54 1HD LYS 54 0.596 -20.793 10.311 467 HD3 LYS 54 2HD LYS 54 0.816 -19.263 11.187 468 HE2 LYS 54 1HE LYS 54 -0.052 -21.031 12.685 469 HE3 LYS 54 2HE LYS 54 -1.185 -19.676 12.528 470 HZ1 LYS 54 3HZ LYS 54 -2.322 -21.798 12.390 471 HZ2 LYS 54 1HZ LYS 54 -1.417 -22.258 11.089 472 HZ3 LYS 54 2HZ LYS 54 -2.468 -20.991 10.960 473 H ARG 55 H ARG 55 -0.380 -15.483 7.624 474 HA ARG 55 HA ARG 55 1.772 -15.544 5.623 475 HB2 ARG 55 1HB ARG 55 -0.612 -13.675 5.870 476 HB3 ARG 55 2HB ARG 55 0.383 -13.901 4.438 477 HG2 ARG 55 1HG ARG 55 -1.112 -16.265 5.600 478 HG3 ARG 55 2HG ARG 55 -1.981 -15.053 4.660 479 HD2 ARG 55 1HD ARG 55 -0.554 -15.427 2.733 480 HD3 ARG 55 2HD ARG 55 0.451 -16.548 3.657 481 HE ARG 55 HE ARG 55 -2.165 -17.523 3.824 482 HH11 ARG 55 1HH1 ARG 55 0.166 -16.977 1.211 483 HH12 ARG 55 2HH1 ARG 55 -0.459 -18.317 0.279 484 HH21 ARG 55 1HH2 ARG 55 -2.915 -19.171 2.542 485 HH22 ARG 55 2HH2 ARG 55 -2.178 -19.502 1.000 486 H TRP 56 H TRP 56 0.842 -13.626 8.397 487 HA TRP 56 HA TRP 56 2.530 -11.336 7.673 488 HB2 TRP 56 1HB TRP 56 0.358 -11.165 8.891 489 HB3 TRP 56 2HB TRP 56 1.086 -12.011 10.254 490 HD1 TRP 56 HD1 TRP 56 2.022 -10.454 12.086 491 HE1 TRP 56 HE1 TRP 56 2.736 -8.016 12.327 492 HE3 TRP 56 HE3 TRP 56 1.559 -9.117 7.168 493 HZ2 TRP 56 HZ2 TRP 56 3.047 -5.771 10.601 494 HZ3 TRP 56 HZ3 TRP 56 2.123 -6.769 6.508 495 HH2 TRP 56 HH2 TRP 56 2.839 -5.111 8.231 496 H ARG 57 H ARG 57 2.806 -14.277 9.599 497 HA ARG 57 HA ARG 57 4.866 -13.525 11.351 498 HB2 ARG 57 1HB ARG 57 3.790 -16.039 10.279 499 HB3 ARG 57 2HB ARG 57 5.473 -16.133 10.826 500 HG2 ARG 57 1HG ARG 57 4.931 -15.532 13.035 501 HG3 ARG 57 2HG ARG 57 3.350 -14.869 12.577 502 HD2 ARG 57 1HD ARG 57 2.366 -16.960 12.371 503 HD3 ARG 57 2HD ARG 57 3.916 -17.772 12.083 504 HE ARG 57 HE ARG 57 4.397 -17.784 14.393 505 HH11 ARG 57 1HH1 ARG 57 1.197 -16.371 13.847 506 HH12 ARG 57 2HH1 ARG 57 0.729 -16.550 15.518 507 HH21 ARG 57 1HH2 ARG 57 3.726 -17.967 16.498 508 HH22 ARG 57 2HH2 ARG 57 2.131 -17.440 16.974 509 H ARG 58 H ARG 58 5.199 -14.947 8.103 510 HA ARG 58 HA ARG 58 8.013 -14.981 7.974 511 HB2 ARG 58 1HB ARG 58 7.792 -15.081 5.590 512 HB3 ARG 58 2HB ARG 58 6.491 -16.007 6.332 513 HG2 ARG 58 1HG ARG 58 4.998 -14.062 6.043 514 HG3 ARG 58 2HG ARG 58 6.279 -13.251 5.134 515 HD2 ARG 58 1HD ARG 58 6.218 -14.913 3.435 516 HD3 ARG 58 2HD ARG 58 5.124 -15.935 4.406 517 HE ARG 58 HE ARG 58 3.927 -13.390 4.163 518 HH11 ARG 58 1HH1 ARG 58 4.663 -16.122 2.047 519 HH12 ARG 58 2HH1 ARG 58 3.296 -15.803 1.000 520 HH21 ARG 58 1HH2 ARG 58 2.257 -13.012 2.788 521 HH22 ARG 58 2HH2 ARG 58 1.943 -14.089 1.439 522 H VAL 59 H VAL 59 5.921 -12.173 7.833 523 HA VAL 59 HA VAL 59 7.717 -10.634 6.208 524 HB VAL 59 HB VAL 59 5.592 -9.634 8.169 525 HG11 VAL 59 1HG1 VAL 59 6.829 -8.290 5.737 526 HG12 VAL 59 2HG1 VAL 59 5.536 -7.625 6.765 527 HG13 VAL 59 3HG1 VAL 59 7.159 -7.879 7.432 528 HG21 VAL 59 3HG2 VAL 59 4.129 -9.517 6.167 529 HG22 VAL 59 1HG2 VAL 59 5.391 -10.356 5.230 530 HG23 VAL 59 2HG2 VAL 59 4.591 -11.172 6.595 531 H GLY 60 H GLY 60 7.244 -11.244 9.651 532 HA2 GLY 60 1HA GLY 60 9.121 -9.228 10.521 533 HA3 GLY 60 2HA GLY 60 8.449 -10.563 11.478 534 H ASP 61 H ASP 61 9.236 -12.685 9.749 535 HA ASP 61 HA ASP 61 11.931 -13.142 10.583 536 HB2 ASP 61 1HB ASP 61 10.371 -14.449 8.311 537 HB3 ASP 61 2HB ASP 61 11.832 -15.094 9.070 538 H CYS 62 H CYS 62 10.431 -11.969 7.580 539 HA CYS 62 HA CYS 62 12.800 -11.758 6.008 540 HB2 CYS 62 1HB CYS 62 10.021 -11.039 5.818 541 HB3 CYS 62 2HB CYS 62 10.994 -9.647 5.364 542 HG CYS 62 HG CYS 62 10.675 -10.491 3.116 543 H PHE 63 H PHE 63 11.232 -9.405 8.269 544 HA PHE 63 HA PHE 63 13.036 -7.253 7.646 545 HB2 PHE 63 1HB PHE 63 11.678 -7.899 10.294 546 HB3 PHE 63 2HB PHE 63 12.528 -6.401 9.937 547 HD1 PHE 63 HD1 PHE 63 11.560 -5.794 7.162 548 HD2 PHE 63 HD2 PHE 63 9.466 -7.194 10.651 549 HE1 PHE 63 HE1 PHE 63 9.459 -4.770 6.317 550 HE2 PHE 63 HE2 PHE 63 7.372 -6.157 9.805 551 HZ PHE 63 HZ PHE 63 7.367 -4.955 7.636 552 H GLN 64 H GLN 64 13.227 -10.052 9.838 553 HA GLN 64 HA GLN 64 15.547 -9.121 11.233 554 HB2 GLN 64 1HB GLN 64 13.974 -10.921 11.995 555 HB3 GLN 64 2HB GLN 64 14.666 -11.990 10.771 556 HG2 GLN 64 1HG GLN 64 16.866 -11.822 11.835 557 HG3 GLN 64 2HG GLN 64 16.211 -10.703 13.041 558 HE21 GLN 64 2HE2 GLN 64 16.830 -13.930 12.277 559 HE22 GLN 64 1HE2 GLN 64 15.907 -14.666 13.563 560 H ASP 65 H ASP 65 15.153 -11.137 8.271 561 HA ASP 65 HA ASP 65 18.011 -11.590 8.155 562 HB2 ASP 65 1HB ASP 65 15.966 -12.882 7.064 563 HB3 ASP 65 2HB ASP 65 16.316 -11.806 5.704 564 H TYR 66 H TYR 66 15.796 -9.210 6.783 565 HA TYR 66 HA TYR 66 17.702 -7.962 5.028 566 HB2 TYR 66 1HB TYR 66 15.089 -7.694 5.376 567 HB3 TYR 66 2HB TYR 66 15.563 -6.419 6.485 568 HD1 TYR 66 HD1 TYR 66 17.636 -4.881 5.229 569 HD2 TYR 66 HD2 TYR 66 14.398 -6.966 3.308 570 HE1 TYR 66 HE1 TYR 66 17.811 -3.372 3.261 571 HE2 TYR 66 HE2 TYR 66 14.548 -5.411 1.369 572 HH TYR 66 HH TYR 66 15.536 -3.563 0.506 573 H PHE 67 H PHE 67 16.872 -7.643 8.484 574 HA PHE 67 HA PHE 67 18.673 -5.464 9.069 575 HB2 PHE 67 1HB PHE 67 16.738 -6.245 10.475 576 HB3 PHE 67 2HB PHE 67 17.673 -7.676 10.905 577 HD1 PHE 67 HD1 PHE 67 19.880 -7.365 12.177 578 HD2 PHE 67 HD2 PHE 67 16.998 -4.214 11.647 579 HE1 PHE 67 HE1 PHE 67 20.889 -6.124 14.082 580 HE2 PHE 67 HE2 PHE 67 17.981 -2.981 13.561 581 HZ PHE 67 HZ PHE 67 19.934 -3.933 14.790 582 H ASN 68 H ASN 68 19.071 -9.043 8.994 583 HA ASN 68 HA ASN 68 21.685 -9.063 10.184 584 HB2 ASN 68 1HB ASN 68 20.429 -10.938 8.126 585 HB3 ASN 68 2HB ASN 68 21.982 -11.224 8.911 586 HD21 ASN 68 2HD2 ASN 68 19.555 -12.824 8.943 587 HD22 ASN 68 1HD2 ASN 68 19.145 -12.983 10.639 588 H THR 69 H THR 69 20.504 -8.476 6.907 589 HA THR 69 HA THR 69 23.118 -8.672 5.695 590 HB THR 69 HB THR 69 20.610 -7.355 4.552 591 HG1 THR 69 HG1 THR 69 20.186 -9.509 5.248 592 HG21 THR 69 1HG2 THR 69 22.656 -6.972 3.224 593 HG22 THR 69 2HG2 THR 69 21.568 -8.105 2.396 594 HG23 THR 69 3HG2 THR 69 23.003 -8.718 3.248 595 H PHE 70 H PHE 70 21.047 -5.877 6.650 596 HA PHE 70 HA PHE 70 23.385 -4.124 5.967 597 HB2 PHE 70 1HB PHE 70 20.431 -3.558 5.694 598 HB3 PHE 70 2HB PHE 70 21.732 -2.398 5.392 599 HD1 PHE 70 HD2 PHE 70 23.547 -3.087 3.650 600 HD2 PHE 70 HD1 PHE 70 19.650 -4.877 3.918 601 HE1 PHE 70 HE2 PHE 70 23.746 -3.854 1.290 602 HE2 PHE 70 HE1 PHE 70 19.817 -5.625 1.550 603 HZ PHE 70 HZ PHE 70 21.872 -5.114 0.227 604 H GLY 71 H GLY 71 21.853 -5.185 8.698 605 HA2 GLY 71 1HA GLY 71 22.128 -4.383 10.833 606 HA3 GLY 71 2HA GLY 71 23.025 -3.018 10.169 607 HA PRO 72 HA PRO 72 19.018 -1.618 12.046 608 HB2 PRO 72 1HB PRO 72 20.016 0.186 13.820 609 HB3 PRO 72 2HB PRO 72 20.003 -1.574 14.156 610 HG2 PRO 72 1HG PRO 72 22.232 0.110 13.046 611 HG3 PRO 72 2HG PRO 72 22.256 -1.009 14.449 612 HD2 PRO 72 1HD PRO 72 23.110 -1.795 12.017 613 HD3 PRO 72 2HD PRO 72 22.180 -2.915 13.077 614 H GLU 73 H GLU 73 21.511 -0.043 10.252 615 HA GLU 73 HA GLU 73 20.209 2.570 10.266 616 HB2 GLU 73 1HB GLU 73 21.871 3.193 8.617 617 HB3 GLU 73 2HB GLU 73 22.625 2.377 9.988 618 HG2 GLU 73 1HG GLU 73 22.770 0.294 8.659 619 HG3 GLU 73 2HG GLU 73 22.067 1.148 7.272 620 H LYS 74 H LYS 74 19.996 -0.389 8.364 621 HA LYS 74 HA LYS 74 18.396 1.043 6.313 622 HB2 LYS 74 1HB LYS 74 20.179 -1.000 6.118 623 HB3 LYS 74 2HB LYS 74 18.662 -1.903 6.159 624 HG2 LYS 74 1HG LYS 74 19.340 0.339 4.197 625 HG3 LYS 74 2HG LYS 74 19.441 -1.393 3.850 626 HD2 LYS 74 1HD LYS 74 16.966 -1.561 4.356 627 HD3 LYS 74 2HD LYS 74 16.923 0.209 4.449 628 HE2 LYS 74 1HE LYS 74 17.718 0.380 2.131 629 HE3 LYS 74 2HE LYS 74 17.848 -1.387 2.028 630 HZ1 LYS 74 3HZ LYS 74 15.474 -1.572 2.262 631 HZ2 LYS 74 1HZ LYS 74 15.775 -0.514 1.046 632 HZ3 LYS 74 2HZ LYS 74 15.295 0.046 2.520 633 H VAL 75 H VAL 75 18.017 -1.484 8.850 634 HA VAL 75 HA VAL 75 15.057 -1.075 8.494 635 HB VAL 75 HB VAL 75 16.532 -3.482 9.686 636 HG11 VAL 75 1HG1 VAL 75 14.351 -3.153 10.764 637 HG12 VAL 75 2HG1 VAL 75 13.554 -3.038 9.177 638 HG13 VAL 75 3HG1 VAL 75 14.291 -4.571 9.703 639 HG21 VAL 75 3HG2 VAL 75 16.826 -3.484 7.281 640 HG22 VAL 75 1HG2 VAL 75 15.654 -4.731 7.733 641 HG23 VAL 75 2HG2 VAL 75 15.086 -3.203 7.027 642 HA PRO 76 HA PRO 76 15.935 0.510 12.546 643 HB2 PRO 76 1HB PRO 76 13.525 1.484 13.298 644 HB3 PRO 76 2HB PRO 76 14.485 2.260 12.012 645 HG2 PRO 76 1HG PRO 76 12.173 0.385 11.762 646 HG3 PRO 76 2HG PRO 76 12.480 1.915 10.895 647 HD2 PRO 76 1HD PRO 76 13.040 -0.580 9.854 648 HD3 PRO 76 2HD PRO 76 13.938 0.908 9.402 649 H VAL 77 H VAL 77 15.631 -0.160 14.751 650 HA VAL 77 HA VAL 77 14.606 -2.812 15.095 651 HB VAL 77 HB VAL 77 14.953 -2.421 17.525 652 HG11 VAL 77 1HG1 VAL 77 17.384 -2.126 17.418 653 HG12 VAL 77 2HG1 VAL 77 16.833 -3.111 16.047 654 HG13 VAL 77 3HG1 VAL 77 17.257 -1.400 15.800 655 HG21 VAL 77 3HG2 VAL 77 15.734 0.423 16.710 656 HG22 VAL 77 1HG2 VAL 77 14.287 -0.029 17.647 657 HG23 VAL 77 2HG2 VAL 77 15.902 -0.289 18.326 658 H THR 78 H THR 78 13.063 0.310 15.133 659 HA THR 78 HA THR 78 10.797 -0.552 16.718 660 HB THR 78 HB THR 78 11.520 1.887 16.261 661 HG1 THR 78 HG1 THR 78 9.313 2.523 16.456 662 HG21 THR 78 1HG2 THR 78 11.416 1.654 13.751 663 HG22 THR 78 2HG2 THR 78 10.566 3.043 14.446 664 HG23 THR 78 3HG2 THR 78 9.652 1.613 13.932 665 H ALA 79 H ALA 79 11.772 -1.134 13.422 666 HA ALA 79 HA ALA 79 9.133 -1.351 12.307 667 HB1 ALA 79 3HB ALA 79 11.096 -1.282 10.885 668 HB2 ALA 79 1HB ALA 79 11.721 -2.782 11.607 669 HB3 ALA 79 2HB ALA 79 10.239 -2.815 10.621 670 H PHE 80 H PHE 80 11.186 -3.566 14.179 671 HA PHE 80 HA PHE 80 9.446 -5.845 13.879 672 HB2 PHE 80 1HB PHE 80 11.450 -5.163 16.063 673 HB3 PHE 80 2HB PHE 80 10.737 -6.755 15.774 674 HD1 PHE 80 HD2 PHE 80 11.426 -8.117 13.852 675 HD2 PHE 80 HD1 PHE 80 13.189 -4.267 14.593 676 HE1 PHE 80 HE2 PHE 80 13.250 -8.650 12.263 677 HE2 PHE 80 HE1 PHE 80 15.015 -4.777 12.986 678 HZ PHE 80 HZ PHE 80 15.046 -6.975 11.806 679 H SER 81 H SER 81 9.541 -3.065 16.021 680 HA SER 81 HA SER 81 7.721 -4.167 18.009 681 HB2 SER 81 1HB SER 81 9.341 -2.342 18.513 682 HB3 SER 81 2HB SER 81 8.448 -1.268 17.416 683 HG SER 81 HG SER 81 7.839 -1.046 19.635 684 H TYR 82 H TYR 82 7.473 -1.892 15.259 685 HA TYR 82 HA TYR 82 4.656 -1.451 15.392 686 HB2 TYR 82 1HB TYR 82 6.822 -1.234 13.339 687 HB3 TYR 82 2HB TYR 82 5.174 -1.377 12.727 688 HD1 TYR 82 HD2 TYR 82 3.450 0.315 13.288 689 HD2 TYR 82 HD1 TYR 82 7.580 0.866 14.413 690 HE1 TYR 82 HE2 TYR 82 3.055 2.761 13.610 691 HE2 TYR 82 HE1 TYR 82 7.163 3.308 14.715 692 HH TYR 82 HH TYR 82 5.569 5.086 14.191 693 H TRP 83 H TRP 83 6.636 -3.864 13.612 694 HA TRP 83 HA TRP 83 4.544 -5.233 12.341 695 HB2 TRP 83 1HB TRP 83 6.925 -5.615 11.901 696 HB3 TRP 83 2HB TRP 83 7.149 -6.244 13.526 697 HD1 TRP 83 HD1 TRP 83 5.531 -7.265 10.193 698 HE1 TRP 83 HE1 TRP 83 5.172 -9.786 10.151 699 HE3 TRP 83 HE3 TRP 83 6.918 -8.250 15.015 700 HZ2 TRP 83 HZ2 TRP 83 5.508 -11.935 11.958 701 HZ3 TRP 83 HZ3 TRP 83 6.895 -10.619 15.807 702 HH2 TRP 83 HH2 TRP 83 6.190 -12.453 14.270 703 H ASN 84 H ASN 84 5.770 -5.572 15.647 704 HA ASN 84 HA ASN 84 4.333 -7.979 16.285 705 HB2 ASN 84 1HB ASN 84 5.951 -5.962 17.710 706 HB3 ASN 84 2HB ASN 84 4.663 -6.666 18.693 707 HD21 ASN 84 2HD2 ASN 84 7.748 -7.139 17.295 708 HD22 ASN 84 1HD2 ASN 84 7.974 -8.785 17.852 709 H LEU 85 H LEU 85 3.589 -4.543 16.510 710 HA LEU 85 HA LEU 85 1.256 -4.757 18.158 711 HB2 LEU 85 1HB LEU 85 2.597 -2.706 17.691 712 HB3 LEU 85 2HB LEU 85 1.973 -2.692 16.048 713 HG LEU 85 HG LEU 85 -0.135 -2.744 18.103 714 HD11 LEU 85 1HD1 LEU 85 1.731 -0.357 17.858 715 HD12 LEU 85 2HD1 LEU 85 1.575 -1.422 19.277 716 HD13 LEU 85 3HD1 LEU 85 0.208 -0.414 18.774 717 HD21 LEU 85 3HD2 LEU 85 -1.032 -0.924 16.667 718 HD22 LEU 85 1HD2 LEU 85 -0.595 -2.351 15.710 719 HD23 LEU 85 2HD2 LEU 85 0.475 -0.928 15.722 720 H ILE 86 H ILE 86 1.767 -4.953 14.631 721 HA ILE 86 HA ILE 86 -1.136 -5.222 14.209 722 HB ILE 86 HB ILE 86 1.211 -5.440 12.282 723 HG12 ILE 86 1HG1 ILE 86 -0.477 -3.378 11.530 724 HG13 ILE 86 2HG1 ILE 86 -0.581 -3.284 13.274 725 HG21 ILE 86 1HG2 ILE 86 -0.602 -6.853 11.442 726 HG22 ILE 86 2HG2 ILE 86 -1.812 -5.597 11.785 727 HG23 ILE 86 3HG2 ILE 86 -0.593 -5.357 10.502 728 HD11 ILE 86 3HD1 ILE 86 1.233 -1.900 11.944 729 HD12 ILE 86 1HD1 ILE 86 1.623 -2.634 13.511 730 HD13 ILE 86 2HD1 ILE 86 2.155 -3.423 12.010 731 H LYS 87 H LYS 87 1.687 -7.294 14.688 732 HA LYS 87 HA LYS 87 0.515 -9.680 13.673 733 HB2 LYS 87 1HB LYS 87 2.513 -10.485 14.217 734 HB3 LYS 87 2HB LYS 87 2.893 -8.990 15.052 735 HG2 LYS 87 1HG LYS 87 1.954 -9.903 17.141 736 HG3 LYS 87 2HG LYS 87 1.580 -11.423 16.303 737 HD2 LYS 87 1HD LYS 87 3.958 -11.758 15.842 738 HD3 LYS 87 2HD LYS 87 4.339 -10.219 16.630 739 HE2 LYS 87 1HE LYS 87 2.957 -12.557 18.007 740 HE3 LYS 87 2HE LYS 87 4.696 -12.214 18.103 741 HZ1 LYS 87 3HZ LYS 87 2.561 -10.357 19.004 742 HZ2 LYS 87 1HZ LYS 87 4.186 -10.083 19.112 743 HZ3 LYS 87 2HZ LYS 87 3.489 -11.290 20.000 744 H GLU 88 H GLU 88 0.221 -8.162 16.944 745 HA GLU 88 HA GLU 88 -1.364 -10.374 17.925 746 HB2 GLU 88 1HB GLU 88 -1.973 -8.865 19.772 747 HB3 GLU 88 2HB GLU 88 -0.230 -8.904 19.482 748 HG2 GLU 88 1HG GLU 88 -0.340 -6.775 18.319 749 HG3 GLU 88 2HG GLU 88 -2.097 -6.725 18.521 750 H LEU 89 H LEU 89 -2.129 -7.400 16.162 751 HA LEU 89 HA LEU 89 -4.952 -7.504 16.590 752 HB2 LEU 89 1HB LEU 89 -3.202 -6.254 14.484 753 HB3 LEU 89 2HB LEU 89 -4.950 -6.201 14.359 754 HG LEU 89 HG LEU 89 -3.403 -5.097 16.724 755 HD11 LEU 89 1HD1 LEU 89 -3.853 -2.876 15.722 756 HD12 LEU 89 2HD1 LEU 89 -4.539 -3.667 14.284 757 HD13 LEU 89 3HD1 LEU 89 -2.817 -3.871 14.685 758 HD21 LEU 89 3HD2 LEU 89 -6.313 -4.837 15.845 759 HD22 LEU 89 1HD2 LEU 89 -5.563 -3.862 17.125 760 HD23 LEU 89 2HD2 LEU 89 -5.701 -5.616 17.322 761 H ILE 90 H ILE 90 -2.850 -8.930 14.071 762 HA ILE 90 HA ILE 90 -5.167 -10.017 12.664 763 HB ILE 90 HB ILE 90 -2.234 -10.810 12.373 764 HG12 ILE 90 1HG1 ILE 90 -3.849 -8.901 10.632 765 HG13 ILE 90 2HG1 ILE 90 -2.761 -8.352 11.905 766 HG21 ILE 90 1HG2 ILE 90 -4.584 -11.117 10.433 767 HG22 ILE 90 2HG2 ILE 90 -2.931 -11.708 10.196 768 HG23 ILE 90 3HG2 ILE 90 -3.954 -12.434 11.442 769 HD11 ILE 90 3HD1 ILE 90 -0.871 -9.530 10.772 770 HD12 ILE 90 1HD1 ILE 90 -1.966 -9.941 9.434 771 HD13 ILE 90 2HD1 ILE 90 -1.595 -8.240 9.782 772 H ASP 91 H ASP 91 -2.727 -11.255 14.993 773 HA ASP 91 HA ASP 91 -3.452 -14.006 14.808 774 HB2 ASP 91 1HB ASP 91 -1.427 -12.980 15.964 775 HB3 ASP 91 2HB ASP 91 -2.493 -12.577 17.317 776 H LYS 92 H LYS 92 -4.873 -11.296 16.596 777 HA LYS 92 HA LYS 92 -6.986 -13.175 17.577 778 HB2 LYS 92 1HB LYS 92 -6.045 -10.501 18.651 779 HB3 LYS 92 2HB LYS 92 -7.475 -11.350 19.247 780 HG2 LYS 92 1HG LYS 92 -4.738 -12.646 19.234 781 HG3 LYS 92 2HG LYS 92 -5.317 -11.655 20.581 782 HD2 LYS 92 1HD LYS 92 -6.762 -13.240 21.322 783 HD3 LYS 92 2HD LYS 92 -7.247 -13.735 19.693 784 HE2 LYS 92 1HE LYS 92 -4.506 -14.440 20.764 785 HE3 LYS 92 2HE LYS 92 -5.931 -15.413 21.187 786 HZ1 LYS 92 3HZ LYS 92 -6.329 -15.795 18.846 787 HZ2 LYS 92 1HZ LYS 92 -4.795 -16.274 19.232 788 HZ3 LYS 92 2HZ LYS 92 -5.025 -14.869 18.416 789 H LYS 93 H LYS 93 -6.837 -11.939 14.836 790 HA LYS 93 HA LYS 93 -8.883 -9.898 14.777 791 HB2 LYS 93 1HB LYS 93 -8.934 -10.126 12.440 792 HB3 LYS 93 2HB LYS 93 -7.262 -10.354 12.925 793 HG2 LYS 93 1HG LYS 93 -7.605 -12.851 12.693 794 HG3 LYS 93 2HG LYS 93 -9.222 -12.512 12.045 795 HD2 LYS 93 1HD LYS 93 -8.217 -11.136 10.250 796 HD3 LYS 93 2HD LYS 93 -6.615 -11.441 10.922 797 HE2 LYS 93 1HE LYS 93 -6.792 -12.922 9.097 798 HE3 LYS 93 2HE LYS 93 -7.048 -13.932 10.534 799 HZ1 LYS 93 3HZ LYS 93 -9.435 -13.781 10.116 800 HZ2 LYS 93 1HZ LYS 93 -8.664 -14.385 8.787 801 HZ3 LYS 93 2HZ LYS 93 -9.187 -12.821 8.797 802 H GLU 94 H GLU 94 -8.889 -13.254 15.250 803 HA GLU 94 HA GLU 94 -11.465 -14.058 14.402 804 HB2 GLU 94 1HB GLU 94 -11.128 -15.719 16.380 805 HB3 GLU 94 2HB GLU 94 -9.996 -15.768 15.020 806 HG2 GLU 94 1HG GLU 94 -8.323 -14.513 16.286 807 HG3 GLU 94 2HG GLU 94 -9.454 -14.280 17.624 808 H VAL 95 H VAL 95 -10.451 -12.272 17.311 809 HA VAL 95 HA VAL 95 -13.314 -12.277 18.200 810 HB VAL 95 HB VAL 95 -12.444 -11.846 20.496 811 HG11 VAL 95 1HG1 VAL 95 -12.948 -14.164 19.720 812 HG12 VAL 95 2HG1 VAL 95 -11.246 -14.362 19.250 813 HG13 VAL 95 3HG1 VAL 95 -11.675 -14.119 20.957 814 HG21 VAL 95 3HG2 VAL 95 -10.251 -10.817 19.835 815 HG22 VAL 95 1HG2 VAL 95 -10.071 -12.120 21.025 816 HG23 VAL 95 2HG2 VAL 95 -9.681 -12.423 19.320 817 H ASN 96 H ASN 96 -11.320 -10.500 16.461 818 HA ASN 96 HA ASN 96 -12.281 -7.924 17.645 819 HB2 ASN 96 1HB ASN 96 -9.817 -8.306 17.932 820 HB3 ASN 96 2HB ASN 96 -9.660 -8.354 16.176 821 HD21 ASN 96 2HD2 ASN 96 -8.505 -6.508 18.127 822 HD22 ASN 96 1HD2 ASN 96 -9.044 -4.914 17.658 823 HA PRO 97 HA PRO 97 -13.818 -8.537 13.372 824 HB2 PRO 97 1HB PRO 97 -16.259 -7.341 13.642 825 HB3 PRO 97 2HB PRO 97 -15.947 -9.032 14.151 826 HG2 PRO 97 1HG PRO 97 -15.917 -6.529 15.829 827 HG3 PRO 97 2HG PRO 97 -16.799 -8.066 16.113 828 HD2 PRO 97 1HD PRO 97 -14.441 -7.584 17.314 829 HD3 PRO 97 2HD PRO 97 -14.830 -9.223 16.682 830 H GLN 98 H GLN 98 -13.376 -5.707 15.375 831 HA GLN 98 HA GLN 98 -14.026 -3.711 13.431 832 HB2 GLN 98 1HB GLN 98 -13.580 -3.508 15.990 833 HB3 GLN 98 2HB GLN 98 -11.868 -3.416 15.544 834 HG2 GLN 98 1HG GLN 98 -12.278 -1.429 14.223 835 HG3 GLN 98 2HG GLN 98 -14.023 -1.561 14.520 836 HE21 GLN 98 2HE2 GLN 98 -14.869 -1.013 16.523 837 HE22 GLN 98 1HE2 GLN 98 -13.924 -0.177 17.728 838 H VAL 99 H VAL 99 -11.018 -5.432 14.332 839 HA VAL 99 HA VAL 99 -9.602 -4.056 12.177 840 HB VAL 99 HB VAL 99 -8.576 -4.769 14.453 841 HG11 VAL 99 1HG1 VAL 99 -7.560 -6.955 14.574 842 HG12 VAL 99 2HG1 VAL 99 -9.280 -7.195 14.223 843 HG13 VAL 99 3HG1 VAL 99 -8.087 -7.366 12.927 844 HG21 VAL 99 3HG2 VAL 99 -7.094 -5.369 11.862 845 HG22 VAL 99 1HG2 VAL 99 -7.352 -3.750 12.556 846 HG23 VAL 99 2HG2 VAL 99 -6.370 -4.939 13.425 847 H MET 100 H MET 100 -11.211 -7.172 12.677 848 HA MET 100 HA MET 100 -10.050 -8.569 10.501 849 HB2 MET 100 1HB MET 100 -11.960 -9.082 12.379 850 HB3 MET 100 2HB MET 100 -12.953 -8.927 10.950 851 HG2 MET 100 1HG MET 100 -10.719 -10.883 11.490 852 HG3 MET 100 2HG MET 100 -12.425 -11.246 11.278 853 HE1 MET 100 3HE MET 100 -13.321 -9.747 8.595 854 HE2 MET 100 1HE MET 100 -12.936 -11.018 7.414 855 HE3 MET 100 2HE MET 100 -13.656 -11.453 8.983 856 H ALA 101 H ALA 101 -12.728 -6.191 10.615 857 HA ALA 101 HA ALA 101 -13.465 -6.425 7.861 858 HB1 ALA 101 3HB ALA 101 -14.421 -4.141 8.196 859 HB2 ALA 101 1HB ALA 101 -14.880 -5.282 9.484 860 HB3 ALA 101 2HB ALA 101 -13.614 -4.069 9.781 861 H ALA 102 H ALA 102 -10.782 -4.763 9.457 862 HA ALA 102 HA ALA 102 -10.087 -3.189 7.090 863 HB1 ALA 102 3HB ALA 102 -8.408 -3.776 9.578 864 HB2 ALA 102 1HB ALA 102 -8.169 -2.467 8.407 865 HB3 ALA 102 2HB ALA 102 -9.590 -2.453 9.471 866 H VAL 103 H VAL 103 -9.157 -6.257 8.652 867 HA VAL 103 HA VAL 103 -6.877 -6.834 7.019 868 HB VAL 103 HB VAL 103 -8.872 -8.713 8.388 869 HG11 VAL 103 1HG1 VAL 103 -6.227 -9.313 7.041 870 HG12 VAL 103 2HG1 VAL 103 -7.028 -10.424 8.164 871 HG13 VAL 103 3HG1 VAL 103 -7.817 -9.986 6.640 872 HG21 VAL 103 3HG2 VAL 103 -6.051 -7.893 9.220 873 HG22 VAL 103 1HG2 VAL 103 -7.540 -7.221 9.906 874 HG23 VAL 103 2HG2 VAL 103 -7.173 -8.932 10.131 875 H ALA 104 H ALA 104 -10.322 -7.780 6.716 876 HA ALA 104 HA ALA 104 -10.015 -9.143 4.250 877 HB1 ALA 104 3HB ALA 104 -12.439 -7.646 5.352 878 HB2 ALA 104 1HB ALA 104 -12.464 -8.864 4.053 879 HB3 ALA 104 2HB ALA 104 -12.003 -9.336 5.707 880 H GLN 105 H GLN 105 -10.772 -5.693 4.954 881 HA GLN 105 HA GLN 105 -11.120 -4.961 2.225 882 HB2 GLN 105 1HB GLN 105 -10.541 -3.505 4.766 883 HB3 GLN 105 2HB GLN 105 -10.092 -2.695 3.258 884 HG2 GLN 105 1HG GLN 105 -12.447 -3.188 2.430 885 HG3 GLN 105 2HG GLN 105 -12.837 -3.617 4.104 886 HE21 GLN 105 2HE2 GLN 105 -13.234 -2.017 5.543 887 HE22 GLN 105 1HE2 GLN 105 -13.111 -0.304 5.177 888 H THR 106 H THR 106 -8.129 -5.210 4.223 889 HA THR 106 HA THR 106 -6.528 -3.921 2.214 890 HB THR 106 HB THR 106 -5.548 -5.947 4.259 891 HG1 THR 106 HG1 THR 106 -6.771 -4.297 5.262 892 HG21 THR 106 1HG2 THR 106 -4.244 -3.538 2.916 893 HG22 THR 106 2HG2 THR 106 -3.868 -5.242 2.574 894 HG23 THR 106 3HG2 THR 106 -3.497 -4.552 4.168 895 H GLU 107 H GLU 107 -7.497 -7.329 2.772 896 HA GLU 107 HA GLU 107 -5.844 -8.459 0.716 897 HB2 GLU 107 1HB GLU 107 -8.555 -9.319 1.798 898 HB3 GLU 107 2HB GLU 107 -7.574 -10.286 0.694 899 HG2 GLU 107 1HG GLU 107 -5.761 -10.362 2.345 900 HG3 GLU 107 2HG GLU 107 -6.710 -9.378 3.455 901 H GLU 108 H GLU 108 -9.142 -7.025 0.626 902 HA GLU 108 HA GLU 108 -9.609 -7.528 -2.165 903 HB2 GLU 108 1HB GLU 108 -10.623 -5.322 -0.330 904 HB3 GLU 108 2HB GLU 108 -11.225 -5.603 -1.961 905 HG2 GLU 108 1HG GLU 108 -12.065 -7.798 -1.314 906 HG3 GLU 108 2HG GLU 108 -11.401 -7.598 0.312 907 H ILE 109 H ILE 109 -8.246 -4.733 -0.411 908 HA ILE 109 HA ILE 109 -8.049 -3.007 -2.678 909 HB ILE 109 HB ILE 109 -6.615 -3.067 0.005 910 HG12 ILE 109 1HG1 ILE 109 -8.597 -1.012 -1.008 911 HG13 ILE 109 2HG1 ILE 109 -9.164 -2.556 -0.379 912 HG21 ILE 109 1HG2 ILE 109 -5.068 -1.892 -1.516 913 HG22 ILE 109 2HG2 ILE 109 -6.396 -0.918 -2.183 914 HG23 ILE 109 3HG2 ILE 109 -5.871 -0.701 -0.497 915 HD11 ILE 109 3HD1 ILE 109 -9.293 -1.102 1.450 916 HD12 ILE 109 1HD1 ILE 109 -7.809 -2.033 1.741 917 HD13 ILE 109 2HD1 ILE 109 -7.708 -0.375 1.104 918 H LEU 110 H LEU 110 -5.709 -5.351 -1.302 919 HA LEU 110 HA LEU 110 -3.522 -4.443 -2.918 920 HB2 LEU 110 1HB LEU 110 -4.221 -6.945 -1.424 921 HB3 LEU 110 2HB LEU 110 -2.912 -7.027 -2.592 922 HG LEU 110 HG LEU 110 -1.482 -5.781 -1.335 923 HD11 LEU 110 1HD1 LEU 110 -2.051 -4.201 0.502 924 HD12 LEU 110 2HD1 LEU 110 -3.770 -4.404 0.108 925 HD13 LEU 110 3HD1 LEU 110 -2.662 -3.680 -1.077 926 HD21 LEU 110 3HD2 LEU 110 -3.360 -6.922 0.757 927 HD22 LEU 110 1HD2 LEU 110 -1.649 -6.503 1.011 928 HD23 LEU 110 2HD2 LEU 110 -2.083 -7.807 -0.107 929 H LYS 111 H LYS 111 -6.134 -6.784 -3.591 930 HA LYS 111 HA LYS 111 -5.034 -7.370 -6.229 931 HB2 LYS 111 1HB LYS 111 -7.731 -8.021 -4.989 932 HB3 LYS 111 2HB LYS 111 -7.103 -8.693 -6.501 933 HG2 LYS 111 1HG LYS 111 -5.859 -9.079 -3.742 934 HG3 LYS 111 2HG LYS 111 -6.848 -10.265 -4.611 935 HD2 LYS 111 1HD LYS 111 -5.193 -10.363 -6.420 936 HD3 LYS 111 2HD LYS 111 -4.229 -9.097 -5.636 937 HE2 LYS 111 1HE LYS 111 -3.351 -11.407 -5.310 938 HE3 LYS 111 2HE LYS 111 -3.631 -10.472 -3.843 939 HZ1 LYS 111 3HZ LYS 111 -5.411 -12.587 -4.884 940 HZ2 LYS 111 1HZ LYS 111 -5.715 -11.675 -3.541 941 HZ3 LYS 111 2HZ LYS 111 -4.420 -12.700 -3.563 942 H SER 112 H SER 112 -7.456 -5.132 -4.980 943 HA SER 112 HA SER 112 -8.558 -4.597 -7.641 944 HB2 SER 112 1HB SER 112 -9.921 -4.344 -5.596 945 HB3 SER 112 2HB SER 112 -8.802 -3.116 -4.987 946 HG SER 112 HG SER 112 -10.188 -2.870 -7.452 947 H ASN 113 H ASN 113 -6.411 -2.986 -5.353 948 HA ASN 113 HA ASN 113 -5.211 -1.115 -5.385 949 HB2 ASN 113 1HB ASN 113 -4.050 -2.831 -6.992 950 HB3 ASN 113 2HB ASN 113 -4.396 -1.605 -8.228 951 HD21 ASN 113 2HD2 ASN 113 -3.447 -1.474 -4.796 952 HD22 ASN 113 1HD2 ASN 113 -2.070 -0.437 -5.021 953 H SER 114 H SER 114 -7.944 -0.660 -6.177 954 HA SER 114 HA SER 114 -7.856 1.517 -8.132 955 HB2 SER 114 1HB SER 114 -9.858 0.115 -7.886 956 HB3 SER 114 2HB SER 114 -10.028 0.650 -6.202 957 HG SER 114 HG SER 114 -10.391 2.737 -6.929 958 H GLN 115 H GLN 115 -6.125 2.608 -7.034 959 HA GLN 115 HA GLN 115 -6.316 3.691 -4.406 960 HB2 GLN 115 1HB GLN 115 -4.845 4.782 -6.838 961 HB3 GLN 115 2HB GLN 115 -4.543 5.251 -5.160 962 HG2 GLN 115 1HG GLN 115 -3.856 2.930 -4.650 963 HG3 GLN 115 2HG GLN 115 -4.117 2.480 -6.337 964 HE21 GLN 115 2HE2 GLN 115 -1.665 2.141 -5.034 965 HE22 GLN 115 1HE2 GLN 115 -0.511 3.223 -5.792 966 H THR 116 H THR 116 -7.686 4.743 -7.460 967 HA THR 116 HA THR 116 -8.379 7.387 -6.368 968 HB THR 116 HB THR 116 -9.498 7.612 -8.657 969 HG1 THR 116 HG1 THR 116 -9.603 5.390 -9.147 970 HG21 THR 116 1HG2 THR 116 -7.384 8.059 -9.720 971 HG22 THR 116 2HG2 THR 116 -6.539 6.968 -8.598 972 HG23 THR 116 3HG2 THR 116 -7.256 8.480 -7.992 973 H ASP 117 H ASP 117 -9.653 6.678 -4.663 974 HA ASP 117 HA ASP 117 -12.307 5.525 -5.400 975 HB2 ASP 117 1HB ASP 117 -12.684 5.181 -3.059 976 HB3 ASP 117 2HB ASP 117 -11.058 4.595 -3.436 977 H LEU 118 H LEU 118 -11.053 8.336 -5.784 978 HA LEU 118 HA LEU 118 -12.720 10.122 -4.261 979 HB2 LEU 118 1HB LEU 118 -11.309 10.643 -6.878 980 HB3 LEU 118 2HB LEU 118 -11.869 11.853 -5.741 981 HG LEU 118 HG LEU 118 -9.605 9.876 -5.255 982 HD11 LEU 118 1HD1 LEU 118 -8.153 11.845 -5.441 983 HD12 LEU 118 2HD1 LEU 118 -9.563 12.872 -5.793 984 HD13 LEU 118 3HD1 LEU 118 -9.076 11.595 -6.936 985 HD21 LEU 118 3HD2 LEU 118 -10.657 10.431 -3.134 986 HD22 LEU 118 1HD2 LEU 118 -10.648 12.170 -3.539 987 HD23 LEU 118 2HD2 LEU 118 -9.121 11.300 -3.262 988 H GLU 119 H GLU 119 -14.645 10.951 -4.748 989 HA GLU 119 HA GLU 119 -15.836 10.732 -7.408 990 HB2 GLU 119 1HB GLU 119 -16.154 8.506 -5.883 991 HB3 GLU 119 2HB GLU 119 -17.462 9.480 -5.222 992 HG2 GLU 119 1HG GLU 119 -17.139 8.871 -8.178 993 HG3 GLU 119 2HG GLU 119 -18.125 7.902 -7.069 994 H HIS 120 H HIS 120 -18.010 11.842 -7.301 995 HA HIS 120 HA HIS 120 -17.846 14.207 -5.577 996 HB2 HIS 120 1HB HIS 120 -20.095 13.404 -7.452 997 HB3 HIS 120 2HB HIS 120 -19.629 15.035 -6.952 998 HD1 HIS 120 HD1 HIS 120 -18.709 12.213 -9.333 999 HD2 HIS 120 HD2 HIS 120 -17.446 16.125 -8.427 1000 HE1 HIS 120 HE1 HIS 120 -17.119 12.948 -11.196 1001 H HIS 121 H HIS 121 -18.440 11.420 -4.461 1002 HA HIS 121 HA HIS 121 -21.124 11.041 -3.883 1003 HB2 HIS 121 1HB HIS 121 -20.150 9.953 -1.670 1004 HB3 HIS 121 2HB HIS 121 -19.885 9.222 -3.255 1005 HD1 HIS 121 HD1 HIS 121 -17.913 12.087 -1.547 1006 HD2 HIS 121 HD2 HIS 121 -17.356 8.224 -3.097 1007 HE1 HIS 121 HE1 HIS 121 -15.409 11.568 -1.408 1008 H HIS 122 H HIS 122 -22.628 11.914 -2.683 1009 HA HIS 122 HA HIS 122 -21.865 13.825 -0.518 1010 HB2 HIS 122 1HB HIS 122 -22.297 14.978 -2.747 1011 HB3 HIS 122 2HB HIS 122 -23.953 14.374 -2.666 1012 HD1 HIS 122 HD1 HIS 122 -21.814 17.185 -1.620 1013 HD2 HIS 122 HD2 HIS 122 -25.412 15.467 -0.311 1014 HE1 HIS 122 HE1 HIS 122 -22.958 18.902 -0.118 1015 H HIS 123 H HIS 123 -22.816 13.101 1.288 1016 HA HIS 123 HA HIS 123 -24.865 11.118 1.325 1017 HB2 HIS 123 1HB HIS 123 -23.198 11.670 3.164 1018 HB3 HIS 123 2HB HIS 123 -24.182 13.090 3.543 1019 HD1 HIS 123 HD1 HIS 123 -24.257 9.266 3.672 1020 HD2 HIS 123 HD2 HIS 123 -26.500 12.545 5.025 1021 HE1 HIS 123 HE1 HIS 123 -26.011 8.357 5.282 1022 H HIS 124 H HIS 124 -27.073 11.226 1.830 1023 HA HIS 124 HA HIS 124 -28.386 13.911 1.818 1024 HB2 HIS 124 1HB HIS 124 -28.942 11.527 0.004 1025 HB3 HIS 124 2HB HIS 124 -30.226 12.654 0.445 1026 HD1 HIS 124 HD1 HIS 124 -26.882 12.613 -1.451 1027 HD2 HIS 124 HD2 HIS 124 -30.308 14.996 -0.974 1028 HE1 HIS 124 HE1 HIS 124 -26.776 14.441 -3.225 1029 H HIS 125 H HIS 125 -30.728 13.567 2.521 1030 HA HIS 125 HA HIS 125 -31.348 11.091 3.966 1031 HB2 HIS 125 1HB HIS 125 -30.343 12.614 5.763 1032 HB3 HIS 125 2HB HIS 125 -31.508 13.857 5.280 1033 HD1 HIS 125 HD1 HIS 125 -31.738 13.111 8.162 1034 HD2 HIS 125 HD2 HIS 125 -33.703 10.937 5.164 1035 HE1 HIS 125 HE1 HIS 125 -33.671 11.881 9.283 Start of MODEL 25 1 H21 MYR 1 1H2 MYR 1 1.160 0.043 -1.231 2 H22 MYR 1 2H2 MYR 1 2.452 -0.261 -0.075 3 H31 MYR 1 1H3 MYR 1 -0.257 -1.708 0.026 4 H32 MYR 1 2H3 MYR 1 1.103 -2.341 -0.891 5 H41 MYR 1 1H4 MYR 1 2.303 -2.993 0.996 6 H42 MYR 1 2H4 MYR 1 1.728 -1.661 1.984 7 H51 MYR 1 1H5 MYR 1 -0.526 -2.818 2.140 8 H52 MYR 1 2H5 MYR 1 0.172 -4.193 1.276 9 H61 MYR 1 1H6 MYR 1 1.809 -4.576 3.073 10 H62 MYR 1 2H6 MYR 1 1.335 -3.088 3.892 11 H71 MYR 1 1H7 MYR 1 -0.955 -4.012 4.294 12 H72 MYR 1 2H7 MYR 1 -0.500 -5.505 3.471 13 H81 MYR 1 1H8 MYR 1 1.340 -5.849 5.175 14 H82 MYR 1 2H8 MYR 1 0.811 -4.413 6.045 15 H91 MYR 1 1H9 MYR 1 -0.008 -6.768 6.878 16 H92 MYR 1 2H9 MYR 1 -1.073 -6.769 5.488 17 H101 MYR 1 1H10 MYR 1 -2.056 -4.562 6.335 18 H102 MYR 1 2H10 MYR 1 -1.054 -4.734 7.778 19 H111 MYR 1 1H11 MYR 1 -3.158 -6.770 6.854 20 H112 MYR 1 2H11 MYR 1 -2.201 -6.888 8.332 21 H121 MYR 1 1H12 MYR 1 -3.230 -4.721 9.113 22 H122 MYR 1 2H12 MYR 1 -4.197 -4.670 7.635 23 H131 MYR 1 1H13 MYR 1 -5.314 -6.805 8.278 24 H132 MYR 1 2H13 MYR 1 -4.347 -6.884 9.754 25 H141 MYR 1 1H14 MYR 1 -6.632 -5.933 10.165 26 H142 MYR 1 2H14 MYR 1 -5.366 -4.759 10.562 27 H143 MYR 1 3H14 MYR 1 -6.280 -4.608 9.048 28 H GLY 2 H GLY 2 2.345 0.595 1.922 29 HA2 GLY 2 1HA GLY 2 0.070 1.330 3.404 30 HA3 GLY 2 2HA GLY 2 1.712 1.906 3.694 31 H GLN 3 H GLN 3 1.994 3.266 1.125 32 HA GLN 3 HA GLN 3 0.895 5.821 1.827 33 HB2 GLN 3 1HB GLN 3 1.867 4.730 -0.847 34 HB3 GLN 3 2HB GLN 3 1.481 6.428 -0.546 35 HG2 GLN 3 1HG GLN 3 3.272 6.565 1.122 36 HG3 GLN 3 2HG GLN 3 3.640 4.853 0.888 37 HE21 GLN 3 2HE2 GLN 3 5.449 4.591 -0.213 38 HE22 GLN 3 1HE2 GLN 3 5.935 5.546 -1.601 39 H GLU 4 H GLU 4 -0.179 3.214 -0.316 40 HA GLU 4 HA GLU 4 -2.386 4.695 -1.438 41 HB2 GLU 4 1HB GLU 4 -1.077 2.866 -2.498 42 HB3 GLU 4 2HB GLU 4 -1.816 1.711 -1.387 43 HG2 GLU 4 1HG GLU 4 -3.797 1.738 -2.464 44 HG3 GLU 4 2HG GLU 4 -3.620 3.430 -2.949 45 H LEU 5 H LEU 5 -2.031 2.265 1.165 46 HA LEU 5 HA LEU 5 -4.853 2.062 1.674 47 HB2 LEU 5 1HB LEU 5 -2.386 1.431 3.286 48 HB3 LEU 5 2HB LEU 5 -3.952 1.453 4.070 49 HG LEU 5 HG LEU 5 -3.572 -0.793 3.618 50 HD11 LEU 5 1HD1 LEU 5 -5.238 -1.514 2.079 51 HD12 LEU 5 2HD1 LEU 5 -5.227 0.068 1.274 52 HD13 LEU 5 3HD1 LEU 5 -5.814 -0.079 2.935 53 HD21 LEU 5 3HD2 LEU 5 -2.772 -0.116 0.803 54 HD22 LEU 5 1HD2 LEU 5 -2.880 -1.745 1.510 55 HD23 LEU 5 2HD2 LEU 5 -1.686 -0.588 2.129 56 H SER 6 H SER 6 -2.362 4.287 2.984 57 HA SER 6 HA SER 6 -4.170 5.630 4.794 58 HB2 SER 6 1HB SER 6 -1.635 5.768 4.801 59 HB3 SER 6 2HB SER 6 -1.750 6.807 3.371 60 HG SER 6 HG SER 6 -3.245 8.098 4.745 61 H GLN 7 H GLN 7 -3.939 5.642 1.358 62 HA GLN 7 HA GLN 7 -5.145 8.337 1.073 63 HB2 GLN 7 1HB GLN 7 -3.280 7.520 -0.386 64 HB3 GLN 7 2HB GLN 7 -4.336 6.243 -0.977 65 HG2 GLN 7 1HG GLN 7 -5.818 7.893 -1.990 66 HG3 GLN 7 2HG GLN 7 -4.820 9.207 -1.336 67 HE21 GLN 7 2HE2 GLN 7 -4.449 6.194 -3.263 68 HE22 GLN 7 1HE2 GLN 7 -3.293 6.870 -4.379 69 H HIS 8 H HIS 8 -5.989 4.961 1.228 70 HA HIS 8 HA HIS 8 -8.493 5.239 -0.222 71 HB2 HIS 8 1HB HIS 8 -7.039 3.140 0.063 72 HB3 HIS 8 2HB HIS 8 -7.737 2.988 1.659 73 HD1 HIS 8 HD1 HIS 8 -8.203 1.555 -1.514 74 HD2 HIS 8 HD2 HIS 8 -10.812 3.335 1.203 75 HE1 HIS 8 HE1 HIS 8 -10.531 0.740 -2.086 76 H GLU 9 H GLU 9 -9.582 6.936 0.839 77 HA GLU 9 HA GLU 9 -9.950 7.450 3.480 78 HB2 GLU 9 1HB GLU 9 -12.137 7.500 1.387 79 HB3 GLU 9 2HB GLU 9 -12.129 8.432 2.886 80 HG2 GLU 9 1HG GLU 9 -10.251 9.751 2.126 81 HG3 GLU 9 2HG GLU 9 -10.044 8.718 0.699 82 H ARG 10 H ARG 10 -11.934 5.016 1.730 83 HA ARG 10 HA ARG 10 -13.779 4.583 3.870 84 HB2 ARG 10 1HB ARG 10 -12.867 2.815 1.575 85 HB3 ARG 10 2HB ARG 10 -14.082 2.301 2.732 86 HG2 ARG 10 1HG ARG 10 -15.232 3.090 0.780 87 HG3 ARG 10 2HG ARG 10 -15.514 4.252 2.079 88 HD2 ARG 10 1HD ARG 10 -15.117 5.360 -0.103 89 HD3 ARG 10 2HD ARG 10 -13.908 5.815 1.102 90 HE ARG 10 HE ARG 10 -12.986 3.585 -0.479 91 HH11 ARG 10 1HH1 ARG 10 -13.388 7.111 -0.650 92 HH12 ARG 10 2HH1 ARG 10 -12.132 7.283 -1.834 93 HH21 ARG 10 1HH2 ARG 10 -11.393 3.897 -1.984 94 HH22 ARG 10 2HH2 ARG 10 -11.035 5.496 -2.591 95 H TYR 11 H TYR 11 -10.704 3.005 3.058 96 HA TYR 11 HA TYR 11 -10.766 1.068 5.184 97 HB2 TYR 11 1HB TYR 11 -9.390 0.954 3.097 98 HB3 TYR 11 2HB TYR 11 -8.433 2.311 3.680 99 HD1 TYR 11 HD2 TYR 11 -9.436 -1.181 4.630 100 HD2 TYR 11 HD1 TYR 11 -6.485 1.932 4.923 101 HE1 TYR 11 HE2 TYR 11 -7.857 -2.775 5.714 102 HE2 TYR 11 HE1 TYR 11 -4.903 0.316 5.987 103 HH TYR 11 HH TYR 11 -5.664 -3.117 6.380 104 H VAL 12 H VAL 12 -9.295 4.305 4.737 105 HA VAL 12 HA VAL 12 -8.008 4.492 7.253 106 HB VAL 12 HB VAL 12 -9.242 6.668 5.507 107 HG11 VAL 12 1HG1 VAL 12 -7.737 8.239 6.730 108 HG12 VAL 12 2HG1 VAL 12 -9.024 7.572 7.758 109 HG13 VAL 12 3HG1 VAL 12 -7.367 6.940 7.884 110 HG21 VAL 12 3HG2 VAL 12 -7.383 5.331 4.497 111 HG22 VAL 12 1HG2 VAL 12 -6.952 7.027 4.748 112 HG23 VAL 12 2HG2 VAL 12 -6.350 5.780 5.863 113 H GLU 13 H GLU 13 -11.437 5.327 6.419 114 HA GLU 13 HA GLU 13 -11.925 6.341 9.076 115 HB2 GLU 13 1HB GLU 13 -13.848 5.407 6.933 116 HB3 GLU 13 2HB GLU 13 -14.330 6.142 8.467 117 HG2 GLU 13 1HG GLU 13 -12.768 7.432 6.221 118 HG3 GLU 13 2HG GLU 13 -14.359 7.886 6.836 119 H GLN 14 H GLN 14 -11.963 3.047 7.783 120 HA GLN 14 HA GLN 14 -13.391 2.063 10.139 121 HB2 GLN 14 1HB GLN 14 -13.566 0.242 8.867 122 HB3 GLN 14 2HB GLN 14 -12.631 1.048 7.616 123 HG2 GLN 14 1HG GLN 14 -11.685 -1.112 8.032 124 HG3 GLN 14 2HG GLN 14 -10.552 0.133 8.573 125 HE21 GLN 14 2HE2 GLN 14 -13.399 -1.517 9.993 126 HE22 GLN 14 1HE2 GLN 14 -12.583 -2.015 11.463 127 H LEU 15 H LEU 15 -10.025 2.486 9.003 128 HA LEU 15 HA LEU 15 -8.785 1.338 11.303 129 HB2 LEU 15 1HB LEU 15 -7.845 3.333 9.250 130 HB3 LEU 15 2HB LEU 15 -6.849 2.865 10.609 131 HG LEU 15 HG LEU 15 -7.730 1.091 8.329 132 HD11 LEU 15 1HD1 LEU 15 -5.928 2.609 7.784 133 HD12 LEU 15 2HD1 LEU 15 -5.209 1.012 8.062 134 HD13 LEU 15 3HD1 LEU 15 -5.088 2.257 9.316 135 HD21 LEU 15 3HD2 LEU 15 -6.280 -0.646 9.385 136 HD22 LEU 15 1HD2 LEU 15 -7.740 -0.306 10.330 137 HD23 LEU 15 2HD2 LEU 15 -6.170 0.364 10.846 138 H LYS 16 H LYS 16 -10.271 4.475 10.834 139 HA LYS 16 HA LYS 16 -8.976 5.994 12.840 140 HB2 LYS 16 1HB LYS 16 -11.521 6.033 11.446 141 HB3 LYS 16 2HB LYS 16 -11.778 6.397 13.146 142 HG2 LYS 16 1HG LYS 16 -11.522 8.468 12.099 143 HG3 LYS 16 2HG LYS 16 -9.968 8.184 12.900 144 HD2 LYS 16 1HD LYS 16 -8.962 7.498 10.783 145 HD3 LYS 16 2HD LYS 16 -10.527 7.585 9.969 146 HE2 LYS 16 1HE LYS 16 -9.139 9.966 11.243 147 HE3 LYS 16 2HE LYS 16 -9.060 9.549 9.517 148 HZ1 LYS 16 3HZ LYS 16 -10.796 11.179 9.950 149 HZ2 LYS 16 1HZ LYS 16 -11.568 10.143 10.980 150 HZ3 LYS 16 2HZ LYS 16 -11.451 9.774 9.380 151 H GLN 17 H GLN 17 -11.378 3.389 13.098 152 HA GLN 17 HA GLN 17 -11.575 3.643 16.001 153 HB2 GLN 17 1HB GLN 17 -12.397 1.383 14.138 154 HB3 GLN 17 2HB GLN 17 -12.838 1.533 15.842 155 HG2 GLN 17 1HG GLN 17 -14.045 3.641 15.318 156 HG3 GLN 17 2HG GLN 17 -13.640 3.429 13.606 157 HE21 GLN 17 2HE2 GLN 17 -15.278 2.679 12.462 158 HE22 GLN 17 1HE2 GLN 17 -16.465 1.526 13.027 159 H ALA 18 H ALA 18 -10.032 1.292 13.722 160 HA ALA 18 HA ALA 18 -8.998 -0.367 15.749 161 HB1 ALA 18 3HB ALA 18 -9.226 -1.030 13.402 162 HB2 ALA 18 1HB ALA 18 -7.921 0.097 12.946 163 HB3 ALA 18 2HB ALA 18 -7.566 -1.299 13.990 164 H LEU 19 H LEU 19 -7.329 2.448 14.182 165 HA LEU 19 HA LEU 19 -4.811 1.982 15.518 166 HB2 LEU 19 1HB LEU 19 -6.082 4.215 14.031 167 HB3 LEU 19 2HB LEU 19 -5.017 4.734 15.322 168 HG LEU 19 HG LEU 19 -3.266 3.126 14.193 169 HD11 LEU 19 1HD1 LEU 19 -5.180 3.728 11.906 170 HD12 LEU 19 2HD1 LEU 19 -4.615 2.133 12.453 171 HD13 LEU 19 3HD1 LEU 19 -3.481 3.266 11.670 172 HD21 LEU 19 3HD2 LEU 19 -4.057 5.815 13.009 173 HD22 LEU 19 1HD2 LEU 19 -2.468 5.034 12.841 174 HD23 LEU 19 2HD2 LEU 19 -3.036 5.563 14.443 175 H LYS 20 H LYS 20 -7.766 3.781 16.377 176 HA LYS 20 HA LYS 20 -6.710 4.900 18.814 177 HB2 LYS 20 1HB LYS 20 -8.655 5.822 17.596 178 HB3 LYS 20 2HB LYS 20 -9.572 4.353 17.933 179 HG2 LYS 20 1HG LYS 20 -9.476 4.830 20.349 180 HG3 LYS 20 2HG LYS 20 -8.568 6.321 20.015 181 HD2 LYS 20 1HD LYS 20 -10.448 7.253 18.797 182 HD3 LYS 20 2HD LYS 20 -11.318 5.708 18.868 183 HE2 LYS 20 1HE LYS 20 -12.237 7.239 20.530 184 HE3 LYS 20 2HE LYS 20 -11.441 5.872 21.330 185 HZ1 LYS 20 3HZ LYS 20 -10.258 8.567 20.976 186 HZ2 LYS 20 1HZ LYS 20 -9.524 7.291 21.723 187 HZ3 LYS 20 2HZ LYS 20 -10.877 7.966 22.383 188 H THR 21 H THR 21 -8.550 1.916 18.106 189 HA THR 21 HA THR 21 -9.113 1.319 20.834 190 HB THR 21 HB THR 21 -10.014 0.337 18.482 191 HG1 THR 21 HG1 THR 21 -11.221 -0.934 19.733 192 HG21 THR 21 1HG2 THR 21 -8.365 -1.978 19.556 193 HG22 THR 21 2HG2 THR 21 -7.861 -1.005 18.152 194 HG23 THR 21 3HG2 THR 21 -9.366 -1.927 18.093 195 H ARG 22 H ARG 22 -6.210 0.845 18.940 196 HA ARG 22 HA ARG 22 -5.079 -1.117 20.789 197 HB2 ARG 22 1HB ARG 22 -4.068 0.528 18.481 198 HB3 ARG 22 2HB ARG 22 -2.905 -0.244 19.560 199 HG2 ARG 22 1HG ARG 22 -5.106 -1.851 18.252 200 HG3 ARG 22 2HG ARG 22 -3.601 -1.467 17.398 201 HD2 ARG 22 1HD ARG 22 -3.133 -3.558 18.350 202 HD3 ARG 22 2HD ARG 22 -2.385 -2.418 19.477 203 HE ARG 22 HE ARG 22 -5.139 -3.310 20.073 204 HH11 ARG 22 1HH1 ARG 22 -1.701 -3.677 20.834 205 HH12 ARG 22 2HH1 ARG 22 -2.039 -4.458 22.347 206 HH21 ARG 22 1HH2 ARG 22 -5.467 -4.321 22.024 207 HH22 ARG 22 2HH2 ARG 22 -4.111 -4.815 23.002 208 H GLY 23 H GLY 23 -5.552 2.275 20.858 209 HA2 GLY 23 1HA GLY 23 -4.934 3.809 22.469 210 HA3 GLY 23 2HA GLY 23 -4.111 2.515 23.360 211 H VAL 24 H VAL 24 -3.006 2.384 20.243 212 HA VAL 24 HA VAL 24 -0.424 3.327 21.074 213 HB VAL 24 HB VAL 24 -0.719 1.353 19.609 214 HG11 VAL 24 1HG1 VAL 24 -2.620 2.178 18.231 215 HG12 VAL 24 2HG1 VAL 24 -1.528 3.291 17.408 216 HG13 VAL 24 3HG1 VAL 24 -1.290 1.542 17.248 217 HG21 VAL 24 3HG2 VAL 24 1.421 2.537 19.627 218 HG22 VAL 24 1HG2 VAL 24 1.088 1.834 18.031 219 HG23 VAL 24 2HG2 VAL 24 0.863 3.574 18.296 220 H LYS 25 H LYS 25 0.441 5.270 20.912 221 HA LYS 25 HA LYS 25 -1.203 7.386 19.660 222 HB2 LYS 25 1HB LYS 25 1.274 7.510 21.423 223 HB3 LYS 25 2HB LYS 25 0.340 8.910 20.870 224 HG2 LYS 25 1HG LYS 25 -1.637 8.105 22.112 225 HG3 LYS 25 2HG LYS 25 -0.760 6.645 22.591 226 HD2 LYS 25 1HD LYS 25 -0.706 8.072 24.470 227 HD3 LYS 25 2HD LYS 25 0.919 8.132 23.764 228 HE2 LYS 25 1HE LYS 25 0.372 10.286 22.679 229 HE3 LYS 25 2HE LYS 25 -1.277 10.204 23.337 230 HZ1 LYS 25 3HZ LYS 25 0.155 11.587 24.712 231 HZ2 LYS 25 1HZ LYS 25 1.207 10.339 24.955 232 HZ3 LYS 25 2HZ LYS 25 -0.323 10.258 25.565 233 H VAL 26 H VAL 26 -0.799 6.824 17.475 234 HA VAL 26 HA VAL 26 1.846 7.817 16.498 235 HB VAL 26 HB VAL 26 1.639 6.095 14.603 236 HG11 VAL 26 1HG1 VAL 26 2.531 4.209 15.985 237 HG12 VAL 26 2HG1 VAL 26 3.278 5.776 16.353 238 HG13 VAL 26 3HG1 VAL 26 2.059 5.101 17.448 239 HG21 VAL 26 3HG2 VAL 26 0.286 4.084 15.019 240 HG22 VAL 26 1HG2 VAL 26 -0.377 4.814 16.493 241 HG23 VAL 26 2HG2 VAL 26 -0.739 5.526 14.908 242 H LYS 27 H LYS 27 1.776 8.644 14.330 243 HA LYS 27 HA LYS 27 -0.799 9.989 13.747 244 HB2 LYS 27 1HB LYS 27 1.469 11.132 13.581 245 HB3 LYS 27 2HB LYS 27 1.854 10.054 12.239 246 HG2 LYS 27 1HG LYS 27 -0.118 10.979 10.993 247 HG3 LYS 27 2HG LYS 27 -0.363 12.137 12.308 248 HD2 LYS 27 1HD LYS 27 2.194 11.886 10.660 249 HD3 LYS 27 2HD LYS 27 0.906 13.050 10.322 250 HE2 LYS 27 1HE LYS 27 2.525 12.937 12.911 251 HE3 LYS 27 2HE LYS 27 2.825 14.048 11.568 252 HZ1 LYS 27 3HZ LYS 27 0.624 14.999 11.928 253 HZ2 LYS 27 1HZ LYS 27 1.531 15.106 13.302 254 HZ3 LYS 27 2HZ LYS 27 0.340 13.969 13.187 255 H PHE 28 H PHE 28 -2.049 9.414 11.899 256 HA PHE 28 HA PHE 28 -2.094 6.738 11.073 257 HB2 PHE 28 1HB PHE 28 -3.344 9.264 10.332 258 HB3 PHE 28 2HB PHE 28 -3.004 8.310 8.885 259 HD1 PHE 28 HD1 PHE 28 -4.932 8.468 12.024 260 HD2 PHE 28 HD2 PHE 28 -4.095 6.193 8.470 261 HE1 PHE 28 HE1 PHE 28 -6.955 7.082 12.435 262 HE2 PHE 28 HE2 PHE 28 -6.110 4.816 8.871 263 HZ PHE 28 HZ PHE 28 -7.545 5.268 10.843 264 H ALA 29 H ALA 29 -0.641 9.513 9.325 265 HA ALA 29 HA ALA 29 0.284 8.018 7.119 266 HB1 ALA 29 3HB ALA 29 1.458 10.552 8.352 267 HB2 ALA 29 1HB ALA 29 1.774 9.941 6.712 268 HB3 ALA 29 2HB ALA 29 0.140 10.485 7.151 269 H ASP 30 H ASP 30 1.664 8.402 10.361 270 HA ASP 30 HA ASP 30 4.274 7.391 9.554 271 HB2 ASP 30 1HB ASP 30 3.716 8.957 11.540 272 HB3 ASP 30 2HB ASP 30 3.234 7.481 12.392 273 H LEU 31 H LEU 31 1.296 6.113 11.027 274 HA LEU 31 HA LEU 31 2.350 3.537 11.676 275 HB2 LEU 31 1HB LEU 31 0.244 4.493 12.565 276 HB3 LEU 31 2HB LEU 31 -0.486 4.363 10.978 277 HG LEU 31 HG LEU 31 -1.051 2.651 12.852 278 HD11 LEU 31 1HD1 LEU 31 -1.846 2.586 10.527 279 HD12 LEU 31 2HD1 LEU 31 -1.585 0.976 11.211 280 HD13 LEU 31 3HD1 LEU 31 -0.406 1.657 10.070 281 HD21 LEU 31 3HD2 LEU 31 0.223 0.590 12.818 282 HD22 LEU 31 1HD2 LEU 31 1.244 1.931 13.360 283 HD23 LEU 31 2HD2 LEU 31 1.410 1.296 11.702 284 H LEU 32 H LEU 32 0.345 4.652 8.920 285 HA LEU 32 HA LEU 32 0.663 2.220 7.440 286 HB2 LEU 32 1HB LEU 32 -0.081 5.031 6.655 287 HB3 LEU 32 2HB LEU 32 0.190 3.803 5.437 288 HG LEU 32 HG LEU 32 -2.128 3.926 5.741 289 HD11 LEU 32 1HD1 LEU 32 -1.220 1.601 5.618 290 HD12 LEU 32 2HD1 LEU 32 -2.806 1.733 6.401 291 HD13 LEU 32 3HD1 LEU 32 -1.349 1.510 7.392 292 HD21 LEU 32 3HD2 LEU 32 -1.655 3.646 8.692 293 HD22 LEU 32 1HD2 LEU 32 -3.244 3.691 7.880 294 HD23 LEU 32 2HD2 LEU 32 -2.171 5.102 7.811 295 H LYS 33 H LYS 33 2.925 4.825 7.885 296 HA LYS 33 HA LYS 33 4.459 4.358 5.490 297 HB2 LYS 33 1HB LYS 33 5.650 6.037 6.327 298 HB3 LYS 33 2HB LYS 33 4.707 5.950 7.806 299 HG2 LYS 33 1HG LYS 33 6.351 4.255 8.683 300 HG3 LYS 33 2HG LYS 33 7.362 4.602 7.261 301 HD2 LYS 33 1HD LYS 33 7.479 6.960 7.918 302 HD3 LYS 33 2HD LYS 33 6.360 6.646 9.258 303 HE2 LYS 33 1HE LYS 33 8.046 4.954 10.110 304 HE3 LYS 33 2HE LYS 33 9.196 5.639 8.947 305 HZ1 LYS 33 3HZ LYS 33 8.978 7.752 10.030 306 HZ2 LYS 33 1HZ LYS 33 9.265 6.642 11.216 307 HZ3 LYS 33 2HZ LYS 33 7.738 7.236 10.988 308 H PHE 34 H PHE 34 4.193 2.574 8.543 309 HA PHE 34 HA PHE 34 6.456 0.846 7.851 310 HB2 PHE 34 1HB PHE 34 4.397 0.839 10.047 311 HB3 PHE 34 2HB PHE 34 5.501 -0.513 9.806 312 HD1 PHE 34 HD2 PHE 34 7.957 -0.215 10.056 313 HD2 PHE 34 HD1 PHE 34 5.186 2.952 10.930 314 HE1 PHE 34 HE2 PHE 34 9.760 1.029 11.242 315 HE2 PHE 34 HE1 PHE 34 6.968 4.204 12.113 316 HZ PHE 34 HZ PHE 34 9.270 3.259 12.255 317 H PHE 35 H PHE 35 3.005 0.889 7.212 318 HA PHE 35 HA PHE 35 2.851 -1.894 6.350 319 HB2 PHE 35 1HB PHE 35 1.209 0.584 5.714 320 HB3 PHE 35 2HB PHE 35 0.931 -0.950 4.906 321 HD1 PHE 35 HD1 PHE 35 1.650 -0.236 8.576 322 HD2 PHE 35 HD2 PHE 35 -1.124 -1.712 5.624 323 HE1 PHE 35 HE1 PHE 35 0.113 -0.951 10.380 324 HE2 PHE 35 HE2 PHE 35 -2.681 -2.398 7.437 325 HZ PHE 35 HZ PHE 35 -2.059 -2.035 9.818 326 H ASP 36 H ASP 36 3.895 1.223 4.998 327 HA ASP 36 HA ASP 36 4.153 0.203 2.293 328 HB2 ASP 36 1HB ASP 36 3.973 2.673 3.230 329 HB3 ASP 36 2HB ASP 36 5.738 2.547 3.296 330 H PHE 37 H PHE 37 6.196 0.309 5.142 331 HA PHE 37 HA PHE 37 8.670 -0.336 3.822 332 HB2 PHE 37 1HB PHE 37 8.392 0.592 6.148 333 HB3 PHE 37 2HB PHE 37 7.808 -0.991 6.664 334 HD1 PHE 37 HD1 PHE 37 10.741 0.485 4.801 335 HD2 PHE 37 HD2 PHE 37 9.348 -2.425 7.647 336 HE1 PHE 37 HE1 PHE 37 13.093 -0.239 5.207 337 HE2 PHE 37 HE2 PHE 37 11.694 -3.156 8.060 338 HZ PHE 37 HZ PHE 37 13.574 -2.060 6.842 339 H VAL 38 H VAL 38 5.873 -2.237 4.877 340 HA VAL 38 HA VAL 38 7.037 -4.858 4.652 341 HB VAL 38 HB VAL 38 4.216 -4.019 3.774 342 HG11 VAL 38 1HG1 VAL 38 3.644 -6.428 4.294 343 HG12 VAL 38 2HG1 VAL 38 4.717 -6.215 2.900 344 HG13 VAL 38 3HG1 VAL 38 5.386 -6.744 4.456 345 HG21 VAL 38 3HG2 VAL 38 3.489 -4.769 5.940 346 HG22 VAL 38 1HG2 VAL 38 5.189 -4.965 6.430 347 HG23 VAL 38 2HG2 VAL 38 4.551 -3.365 6.003 348 H LYS 39 H LYS 39 5.465 -2.623 2.366 349 HA LYS 39 HA LYS 39 5.371 -4.431 0.259 350 HB2 LYS 39 1HB LYS 39 4.145 -2.281 0.292 351 HB3 LYS 39 2HB LYS 39 5.654 -1.416 0.208 352 HG2 LYS 39 1HG LYS 39 5.994 -2.636 -2.076 353 HG3 LYS 39 2HG LYS 39 4.254 -2.931 -1.968 354 HD2 LYS 39 1HD LYS 39 4.410 -0.932 -3.194 355 HD3 LYS 39 2HD LYS 39 4.060 -0.356 -1.560 356 HE2 LYS 39 1HE LYS 39 6.923 -0.615 -2.549 357 HE3 LYS 39 2HE LYS 39 5.951 0.793 -2.983 358 HZ1 LYS 39 3HZ LYS 39 7.393 1.092 -0.993 359 HZ2 LYS 39 1HZ LYS 39 6.482 0.005 -0.172 360 HZ3 LYS 39 2HZ LYS 39 5.794 1.412 -0.686 361 H ASP 40 H ASP 40 7.880 -2.046 1.123 362 HA ASP 40 HA ASP 40 9.469 -2.493 -1.233 363 HB2 ASP 40 1HB ASP 40 10.120 -1.256 1.468 364 HB3 ASP 40 2HB ASP 40 11.241 -1.275 0.096 365 H THR 41 H THR 41 9.343 -4.136 1.883 366 HA THR 41 HA THR 41 11.936 -5.471 1.314 367 HB THR 41 HB THR 41 10.191 -5.974 3.751 368 HG1 THR 41 HG1 THR 41 10.417 -3.748 3.689 369 HG21 THR 41 1HG2 THR 41 13.206 -5.925 3.302 370 HG22 THR 41 2HG2 THR 41 12.207 -7.389 3.427 371 HG23 THR 41 3HG2 THR 41 12.386 -6.315 4.827 372 H CYS 42 H CYS 42 8.494 -6.077 1.310 373 HA CYS 42 HA CYS 42 8.979 -8.932 0.549 374 HB2 CYS 42 1HB CYS 42 6.758 -7.752 2.257 375 HB3 CYS 42 2HB CYS 42 6.806 -9.417 1.669 376 HG CYS 42 HG CYS 42 9.076 -7.916 3.506 377 HA PRO 43 HA PRO 43 6.503 -6.697 -2.651 378 HB2 PRO 43 1HB PRO 43 7.656 -7.780 -4.876 379 HB3 PRO 43 2HB PRO 43 8.400 -6.411 -3.985 380 HG2 PRO 43 1HG PRO 43 9.012 -9.358 -3.772 381 HG3 PRO 43 2HG PRO 43 10.144 -7.986 -4.003 382 HD2 PRO 43 1HD PRO 43 9.670 -9.076 -1.557 383 HD3 PRO 43 2HD PRO 43 9.958 -7.307 -1.768 384 H TRP 44 H TRP 44 7.248 -10.010 -1.946 385 HA TRP 44 HA TRP 44 5.152 -11.163 -3.597 386 HB2 TRP 44 1HB TRP 44 5.655 -13.147 -1.978 387 HB3 TRP 44 2HB TRP 44 6.852 -12.661 -3.181 388 HD1 TRP 44 HD1 TRP 44 6.187 -11.598 0.524 389 HE1 TRP 44 HE1 TRP 44 8.396 -11.466 1.785 390 HE3 TRP 44 HE3 TRP 44 9.266 -12.846 -3.358 391 HZ2 TRP 44 HZ2 TRP 44 11.154 -11.856 1.188 392 HZ3 TRP 44 HZ3 TRP 44 11.735 -12.942 -2.944 393 HH2 TRP 44 HH2 TRP 44 12.656 -12.448 -0.678 394 H PHE 45 H PHE 45 5.097 -9.398 -0.610 395 HA PHE 45 HA PHE 45 3.016 -11.000 0.602 396 HB2 PHE 45 1HB PHE 45 4.515 -9.474 1.871 397 HB3 PHE 45 2HB PHE 45 3.645 -8.099 1.189 398 HD1 PHE 45 HD1 PHE 45 3.426 -11.021 3.453 399 HD2 PHE 45 HD2 PHE 45 1.388 -7.546 1.939 400 HE1 PHE 45 HE1 PHE 45 1.716 -11.250 5.246 401 HE2 PHE 45 HE2 PHE 45 -0.333 -7.782 3.711 402 HZ PHE 45 HZ PHE 45 -0.172 -9.626 5.380 403 HA PRO 46 HA PRO 46 -0.132 -8.041 -1.122 404 HB2 PRO 46 1HB PRO 46 0.353 -6.499 -3.323 405 HB3 PRO 46 2HB PRO 46 0.627 -5.900 -1.655 406 HG2 PRO 46 1HG PRO 46 2.614 -7.091 -3.573 407 HG3 PRO 46 2HG PRO 46 2.709 -5.547 -2.666 408 HD2 PRO 46 1HD PRO 46 3.916 -7.762 -1.747 409 HD3 PRO 46 2HD PRO 46 3.088 -6.642 -0.620 410 H GLN 47 H GLN 47 2.308 -9.572 -3.137 411 HA GLN 47 HA GLN 47 0.608 -10.352 -5.305 412 HB2 GLN 47 1HB GLN 47 3.132 -10.368 -5.238 413 HB3 GLN 47 2HB GLN 47 3.039 -11.794 -4.205 414 HG2 GLN 47 1HG GLN 47 1.938 -13.051 -5.977 415 HG3 GLN 47 2HG GLN 47 1.929 -11.612 -7.011 416 HE21 GLN 47 2HE2 GLN 47 3.326 -11.990 -8.606 417 HE22 GLN 47 1HE2 GLN 47 4.967 -12.549 -8.392 418 H GLU 48 H GLU 48 1.348 -11.828 -2.115 419 HA GLU 48 HA GLU 48 -0.211 -14.229 -2.645 420 HB2 GLU 48 1HB GLU 48 0.782 -12.910 -0.090 421 HB3 GLU 48 2HB GLU 48 -0.206 -14.377 -0.094 422 HG2 GLU 48 1HG GLU 48 1.526 -15.511 -1.493 423 HG3 GLU 48 2HG GLU 48 2.548 -14.079 -1.348 424 H GLY 49 H GLY 49 -0.834 -10.991 -1.378 425 HA2 GLY 49 1HA GLY 49 -2.783 -9.823 -1.213 426 HA3 GLY 49 2HA GLY 49 -3.554 -11.093 -2.148 427 H THR 50 H THR 50 -2.579 -12.813 0.373 428 HA THR 50 HA THR 50 -5.239 -12.564 1.675 429 HB THR 50 HB THR 50 -3.089 -14.701 1.849 430 HG1 THR 50 HG1 THR 50 -4.187 -14.294 -0.246 431 HG21 THR 50 1HG2 THR 50 -5.999 -14.711 2.713 432 HG22 THR 50 2HG2 THR 50 -4.573 -14.845 3.773 433 HG23 THR 50 3HG2 THR 50 -4.969 -16.152 2.634 434 H ILE 51 H ILE 51 -5.490 -12.046 3.835 435 HA ILE 51 HA ILE 51 -2.955 -11.373 5.294 436 HB ILE 51 HB ILE 51 -5.780 -10.404 5.853 437 HG12 ILE 51 1HG1 ILE 51 -4.916 -9.413 3.792 438 HG13 ILE 51 2HG1 ILE 51 -5.052 -8.262 5.095 439 HG21 ILE 51 1HG2 ILE 51 -4.552 -8.746 7.383 440 HG22 ILE 51 2HG2 ILE 51 -4.511 -10.433 7.941 441 HG23 ILE 51 3HG2 ILE 51 -3.081 -9.723 7.159 442 HD11 ILE 51 3HD1 ILE 51 -2.507 -9.479 4.084 443 HD12 ILE 51 1HD1 ILE 51 -3.109 -7.832 3.804 444 HD13 ILE 51 2HD1 ILE 51 -2.653 -8.328 5.437 445 H ASP 52 H ASP 52 -2.337 -12.835 6.571 446 HA ASP 52 HA ASP 52 -4.126 -13.838 8.659 447 HB2 ASP 52 1HB ASP 52 -4.318 -15.531 6.762 448 HB3 ASP 52 2HB ASP 52 -2.594 -15.856 7.001 449 H ILE 53 H ILE 53 -2.874 -14.848 10.362 450 HA ILE 53 HA ILE 53 -0.499 -13.328 10.771 451 HB ILE 53 HB ILE 53 -2.112 -14.212 12.534 452 HG12 ILE 53 1HG1 ILE 53 -0.315 -14.559 14.254 453 HG13 ILE 53 2HG1 ILE 53 0.873 -14.679 12.958 454 HG21 ILE 53 1HG2 ILE 53 -0.405 -16.740 12.357 455 HG22 ILE 53 2HG2 ILE 53 -1.705 -16.405 13.529 456 HG23 ILE 53 3HG2 ILE 53 -2.105 -16.615 11.811 457 HD11 ILE 53 3HD1 ILE 53 0.548 -12.375 12.343 458 HD12 ILE 53 1HD1 ILE 53 -0.843 -12.235 13.443 459 HD13 ILE 53 2HD1 ILE 53 0.790 -12.464 14.096 460 H LYS 54 H LYS 54 -1.000 -16.620 9.550 461 HA LYS 54 HA LYS 54 1.747 -17.403 9.916 462 HB2 LYS 54 1HB LYS 54 1.261 -19.281 8.494 463 HB3 LYS 54 2HB LYS 54 -0.103 -19.007 9.580 464 HG2 LYS 54 1HG LYS 54 -1.284 -17.847 7.681 465 HG3 LYS 54 2HG LYS 54 0.038 -18.353 6.618 466 HD2 LYS 54 1HD LYS 54 -0.409 -20.710 7.133 467 HD3 LYS 54 2HD LYS 54 -1.678 -20.245 8.282 468 HE2 LYS 54 1HE LYS 54 -2.047 -19.095 5.585 469 HE3 LYS 54 2HE LYS 54 -2.081 -20.871 5.616 470 HZ1 LYS 54 3HZ LYS 54 -3.734 -19.121 7.364 471 HZ2 LYS 54 1HZ LYS 54 -3.802 -20.770 7.301 472 HZ3 LYS 54 2HZ LYS 54 -4.283 -19.879 6.000 473 H ARG 55 H ARG 55 0.109 -15.554 7.382 474 HA ARG 55 HA ARG 55 2.470 -15.682 5.617 475 HB2 ARG 55 1HB ARG 55 -0.067 -14.007 5.508 476 HB3 ARG 55 2HB ARG 55 1.195 -14.033 4.266 477 HG2 ARG 55 1HG ARG 55 0.797 -16.450 3.914 478 HG3 ARG 55 2HG ARG 55 -0.502 -16.407 5.126 479 HD2 ARG 55 1HD ARG 55 -1.673 -14.709 3.784 480 HD3 ARG 55 2HD ARG 55 -0.409 -14.805 2.558 481 HE ARG 55 HE ARG 55 -2.593 -16.672 3.008 482 HH11 ARG 55 1HH1 ARG 55 0.592 -16.317 1.511 483 HH12 ARG 55 2HH1 ARG 55 0.271 -17.588 0.350 484 HH21 ARG 55 1HH2 ARG 55 -2.921 -18.249 1.483 485 HH22 ARG 55 2HH2 ARG 55 -1.671 -18.653 0.340 486 H TRP 56 H TRP 56 0.976 -13.531 7.996 487 HA TRP 56 HA TRP 56 2.661 -11.278 7.593 488 HB2 TRP 56 1HB TRP 56 0.544 -11.404 8.945 489 HB3 TRP 56 2HB TRP 56 1.454 -12.252 10.200 490 HD1 TRP 56 HD1 TRP 56 2.011 -10.628 12.099 491 HE1 TRP 56 HE1 TRP 56 2.684 -8.189 12.390 492 HE3 TRP 56 HE3 TRP 56 1.963 -9.299 7.160 493 HZ2 TRP 56 HZ2 TRP 56 3.154 -5.953 10.698 494 HZ3 TRP 56 HZ3 TRP 56 2.591 -6.963 6.550 495 HH2 TRP 56 HH2 TRP 56 3.158 -5.300 8.318 496 H ARG 57 H ARG 57 3.239 -14.357 9.225 497 HA ARG 57 HA ARG 57 5.509 -13.673 10.784 498 HB2 ARG 57 1HB ARG 57 5.321 -16.203 9.110 499 HB3 ARG 57 2HB ARG 57 6.297 -15.941 10.549 500 HG2 ARG 57 1HG ARG 57 3.325 -16.318 10.366 501 HG3 ARG 57 2HG ARG 57 4.500 -17.351 11.155 502 HD2 ARG 57 1HD ARG 57 4.926 -15.262 12.646 503 HD3 ARG 57 2HD ARG 57 3.362 -14.706 12.042 504 HE ARG 57 HE ARG 57 2.286 -16.331 13.284 505 HH11 ARG 57 1HH1 ARG 57 5.769 -16.939 13.455 506 HH12 ARG 57 2HH1 ARG 57 5.595 -18.079 14.764 507 HH21 ARG 57 1HH2 ARG 57 2.147 -17.792 14.952 508 HH22 ARG 57 2HH2 ARG 57 3.580 -18.556 15.587 509 H ARG 58 H ARG 58 5.321 -14.537 7.323 510 HA ARG 58 HA ARG 58 8.067 -14.594 6.761 511 HB2 ARG 58 1HB ARG 58 5.814 -13.593 4.974 512 HB3 ARG 58 2HB ARG 58 7.442 -13.994 4.440 513 HG2 ARG 58 1HG ARG 58 7.057 -16.355 5.231 514 HG3 ARG 58 2HG ARG 58 5.365 -15.911 5.550 515 HD2 ARG 58 1HD ARG 58 5.502 -16.926 3.333 516 HD3 ARG 58 2HD ARG 58 5.150 -15.193 3.150 517 HE ARG 58 HE ARG 58 7.986 -15.685 3.098 518 HH11 ARG 58 1HH1 ARG 58 5.122 -15.915 0.989 519 HH12 ARG 58 2HH1 ARG 58 6.096 -15.736 -0.444 520 HH21 ARG 58 1HH2 ARG 58 9.111 -15.458 1.210 521 HH22 ARG 58 2HH2 ARG 58 8.289 -15.480 -0.326 522 H VAL 59 H VAL 59 5.973 -11.775 7.145 523 HA VAL 59 HA VAL 59 7.789 -9.950 5.856 524 HB VAL 59 HB VAL 59 5.630 -9.399 7.937 525 HG11 VAL 59 1HG1 VAL 59 7.005 -7.597 5.915 526 HG12 VAL 59 2HG1 VAL 59 5.586 -7.148 6.900 527 HG13 VAL 59 3HG1 VAL 59 7.131 -7.513 7.685 528 HG21 VAL 59 3HG2 VAL 59 4.647 -10.568 6.092 529 HG22 VAL 59 1HG2 VAL 59 4.249 -8.854 5.911 530 HG23 VAL 59 2HG2 VAL 59 5.533 -9.571 4.911 531 H GLY 60 H GLY 60 7.239 -11.011 9.202 532 HA2 GLY 60 1HA GLY 60 9.153 -9.157 10.314 533 HA3 GLY 60 2HA GLY 60 8.439 -10.576 11.111 534 H ASP 61 H ASP 61 9.195 -12.511 9.161 535 HA ASP 61 HA ASP 61 11.838 -13.177 9.994 536 HB2 ASP 61 1HB ASP 61 10.308 -14.092 7.517 537 HB3 ASP 61 2HB ASP 61 11.727 -14.894 8.203 538 H CYS 62 H CYS 62 10.538 -11.607 7.061 539 HA CYS 62 HA CYS 62 12.989 -11.373 5.631 540 HB2 CYS 62 1HB CYS 62 10.349 -10.754 5.187 541 HB3 CYS 62 2HB CYS 62 11.046 -9.148 5.377 542 HG CYS 62 HG CYS 62 10.857 -9.517 2.897 543 H PHE 63 H PHE 63 11.397 -9.158 7.979 544 HA PHE 63 HA PHE 63 13.353 -7.065 7.689 545 HB2 PHE 63 1HB PHE 63 11.692 -7.820 10.126 546 HB3 PHE 63 2HB PHE 63 12.603 -6.327 9.945 547 HD1 PHE 63 HD1 PHE 63 11.767 -6.019 6.851 548 HD2 PHE 63 HD2 PHE 63 9.615 -6.613 10.535 549 HE1 PHE 63 HE1 PHE 63 9.782 -4.896 5.868 550 HE2 PHE 63 HE2 PHE 63 7.634 -5.464 9.560 551 HZ PHE 63 HZ PHE 63 7.711 -4.612 7.218 552 H GLN 64 H GLN 64 13.136 -9.996 9.713 553 HA GLN 64 HA GLN 64 15.380 -9.334 11.364 554 HB2 GLN 64 1HB GLN 64 13.623 -11.038 11.884 555 HB3 GLN 64 2HB GLN 64 14.315 -12.081 10.636 556 HG2 GLN 64 1HG GLN 64 15.101 -12.755 12.847 557 HG3 GLN 64 2HG GLN 64 16.446 -12.161 11.861 558 HE21 GLN 64 2HE2 GLN 64 17.784 -10.792 12.816 559 HE22 GLN 64 1HE2 GLN 64 17.398 -9.784 14.192 560 H ASP 65 H ASP 65 15.083 -11.283 8.355 561 HA ASP 65 HA ASP 65 17.791 -12.142 8.294 562 HB2 ASP 65 1HB ASP 65 15.746 -11.593 6.122 563 HB3 ASP 65 2HB ASP 65 17.390 -12.125 5.735 564 H TYR 66 H TYR 66 16.237 -9.214 6.894 565 HA TYR 66 HA TYR 66 18.707 -8.232 5.815 566 HB2 TYR 66 1HB TYR 66 16.362 -7.561 5.159 567 HB3 TYR 66 2HB TYR 66 16.294 -6.589 6.626 568 HD1 TYR 66 HD1 TYR 66 19.562 -6.734 4.845 569 HD2 TYR 66 HD2 TYR 66 15.816 -4.610 5.147 570 HE1 TYR 66 HE1 TYR 66 20.534 -4.822 3.600 571 HE2 TYR 66 HE2 TYR 66 16.822 -2.697 3.903 572 HH TYR 66 HH TYR 66 18.636 -1.912 2.784 573 H PHE 67 H PHE 67 17.073 -7.725 8.954 574 HA PHE 67 HA PHE 67 18.848 -5.706 9.942 575 HB2 PHE 67 1HB PHE 67 16.660 -6.301 10.928 576 HB3 PHE 67 2HB PHE 67 17.301 -7.869 11.420 577 HD1 PHE 67 HD2 PHE 67 19.033 -8.011 13.226 578 HD2 PHE 67 HD1 PHE 67 17.098 -4.315 12.195 579 HE1 PHE 67 HE2 PHE 67 19.778 -7.024 15.387 580 HE2 PHE 67 HE1 PHE 67 17.805 -3.329 14.353 581 HZ PHE 67 HZ PHE 67 19.163 -4.675 15.958 582 H ASN 68 H ASN 68 19.052 -9.308 10.062 583 HA ASN 68 HA ASN 68 21.387 -9.192 11.791 584 HB2 ASN 68 1HB ASN 68 21.031 -11.377 11.999 585 HB3 ASN 68 2HB ASN 68 19.605 -11.188 10.985 586 HD21 ASN 68 2HD2 ASN 68 19.633 -11.987 8.907 587 HD22 ASN 68 1HD2 ASN 68 20.952 -12.954 8.292 588 H THR 69 H THR 69 20.831 -9.354 8.322 589 HA THR 69 HA THR 69 23.561 -9.844 7.588 590 HB THR 69 HB THR 69 21.383 -8.416 5.970 591 HG1 THR 69 HG1 THR 69 20.634 -10.436 6.566 592 HG21 THR 69 1HG2 THR 69 23.582 -8.185 4.920 593 HG22 THR 69 2HG2 THR 69 22.616 -9.378 4.025 594 HG23 THR 69 3HG2 THR 69 23.893 -9.925 5.133 595 H PHE 70 H PHE 70 21.691 -6.791 7.991 596 HA PHE 70 HA PHE 70 24.272 -5.358 7.528 597 HB2 PHE 70 1HB PHE 70 21.865 -5.348 6.021 598 HB3 PHE 70 2HB PHE 70 22.091 -3.755 6.723 599 HD1 PHE 70 HD1 PHE 70 24.693 -2.916 6.617 600 HD2 PHE 70 HD2 PHE 70 22.802 -5.698 3.927 601 HE1 PHE 70 HE1 PHE 70 26.389 -2.374 4.876 602 HE2 PHE 70 HE2 PHE 70 24.495 -5.164 2.176 603 HZ PHE 70 HZ PHE 70 26.293 -3.497 2.647 604 H GLY 71 H GLY 71 22.298 -5.856 10.057 605 HA2 GLY 71 1HA GLY 71 22.513 -4.800 12.080 606 HA3 GLY 71 2HA GLY 71 23.384 -3.482 11.308 607 HA PRO 72 HA PRO 72 19.103 -2.190 12.794 608 HB2 PRO 72 1HB PRO 72 19.880 -0.408 14.716 609 HB3 PRO 72 2HB PRO 72 19.728 -2.166 15.035 610 HG2 PRO 72 1HG PRO 72 22.189 -0.599 14.309 611 HG3 PRO 72 2HG PRO 72 21.929 -1.714 15.690 612 HD2 PRO 72 1HD PRO 72 23.129 -2.567 13.453 613 HD3 PRO 72 2HD PRO 72 21.936 -3.615 14.299 614 H GLU 73 H GLU 73 21.970 -0.595 11.604 615 HA GLU 73 HA GLU 73 20.689 1.995 11.196 616 HB2 GLU 73 1HB GLU 73 22.624 2.455 9.747 617 HB3 GLU 73 2HB GLU 73 23.107 1.851 11.331 618 HG2 GLU 73 1HG GLU 73 22.852 -0.202 9.180 619 HG3 GLU 73 2HG GLU 73 24.157 0.978 8.999 620 H LYS 74 H LYS 74 20.453 -1.086 9.673 621 HA LYS 74 HA LYS 74 19.474 0.166 7.147 622 HB2 LYS 74 1HB LYS 74 20.804 -2.307 7.810 623 HB3 LYS 74 2HB LYS 74 19.257 -2.647 7.022 624 HG2 LYS 74 1HG LYS 74 20.830 -2.507 5.288 625 HG3 LYS 74 2HG LYS 74 19.921 -0.991 5.229 626 HD2 LYS 74 1HD LYS 74 21.772 0.129 6.492 627 HD3 LYS 74 2HD LYS 74 22.677 -1.397 6.464 628 HE2 LYS 74 1HE LYS 74 21.784 0.231 4.052 629 HE3 LYS 74 2HE LYS 74 23.441 0.093 4.673 630 HZ1 LYS 74 3HZ LYS 74 21.826 -2.138 3.569 631 HZ2 LYS 74 1HZ LYS 74 23.362 -2.279 4.156 632 HZ3 LYS 74 2HZ LYS 74 23.078 -1.386 2.799 633 H VAL 75 H VAL 75 18.395 -2.083 9.735 634 HA VAL 75 HA VAL 75 15.605 -1.315 8.920 635 HB VAL 75 HB VAL 75 16.554 -3.942 10.182 636 HG11 VAL 75 1HG1 VAL 75 14.202 -4.686 9.913 637 HG12 VAL 75 2HG1 VAL 75 14.336 -3.317 11.028 638 HG13 VAL 75 3HG1 VAL 75 13.753 -3.053 9.365 639 HG21 VAL 75 3HG2 VAL 75 15.709 -4.980 8.080 640 HG22 VAL 75 1HG2 VAL 75 15.487 -3.350 7.402 641 HG23 VAL 75 2HG2 VAL 75 17.113 -3.929 7.833 642 HA PRO 76 HA PRO 76 16.165 0.154 13.046 643 HB2 PRO 76 1HB PRO 76 13.762 1.290 13.591 644 HB3 PRO 76 2HB PRO 76 14.900 2.016 12.428 645 HG2 PRO 76 1HG PRO 76 12.510 0.296 11.889 646 HG3 PRO 76 2HG PRO 76 12.983 1.838 11.118 647 HD2 PRO 76 1HD PRO 76 13.508 -0.609 10.007 648 HD3 PRO 76 2HD PRO 76 14.585 0.812 9.780 649 H VAL 77 H VAL 77 15.643 -0.533 15.192 650 HA VAL 77 HA VAL 77 14.401 -3.096 15.414 651 HB VAL 77 HB VAL 77 14.534 -2.730 17.877 652 HG11 VAL 77 1HG1 VAL 77 16.473 -3.593 16.592 653 HG12 VAL 77 2HG1 VAL 77 17.065 -1.929 16.368 654 HG13 VAL 77 3HG1 VAL 77 16.982 -2.636 17.998 655 HG21 VAL 77 3HG2 VAL 77 15.638 0.023 17.138 656 HG22 VAL 77 1HG2 VAL 77 14.071 -0.289 17.928 657 HG23 VAL 77 2HG2 VAL 77 15.582 -0.686 18.763 658 H THR 78 H THR 78 13.081 0.129 15.370 659 HA THR 78 HA THR 78 10.637 -0.573 16.740 660 HB THR 78 HB THR 78 11.552 1.813 16.333 661 HG1 THR 78 HG1 THR 78 9.453 2.583 16.510 662 HG21 THR 78 1HG2 THR 78 11.633 1.581 13.824 663 HG22 THR 78 2HG2 THR 78 10.777 3.006 14.434 664 HG23 THR 78 3HG2 THR 78 9.858 1.602 13.854 665 H ALA 79 H ALA 79 11.831 -1.193 13.504 666 HA ALA 79 HA ALA 79 9.257 -1.307 12.224 667 HB1 ALA 79 3HB ALA 79 10.405 -2.783 10.587 668 HB2 ALA 79 1HB ALA 79 11.336 -1.311 10.937 669 HB3 ALA 79 2HB ALA 79 11.817 -2.860 11.668 670 H PHE 80 H PHE 80 11.134 -3.596 14.200 671 HA PHE 80 HA PHE 80 9.294 -5.795 13.831 672 HB2 PHE 80 1HB PHE 80 11.272 -5.249 16.072 673 HB3 PHE 80 2HB PHE 80 10.491 -6.796 15.727 674 HD1 PHE 80 HD2 PHE 80 11.173 -8.156 13.803 675 HD2 PHE 80 HD1 PHE 80 13.078 -4.408 14.677 676 HE1 PHE 80 HE2 PHE 80 13.020 -8.739 12.258 677 HE2 PHE 80 HE1 PHE 80 14.925 -4.959 13.125 678 HZ PHE 80 HZ PHE 80 14.894 -7.138 11.896 679 H SER 81 H SER 81 9.556 -3.080 16.066 680 HA SER 81 HA SER 81 7.662 -4.078 18.007 681 HB2 SER 81 1HB SER 81 9.289 -2.247 18.480 682 HB3 SER 81 2HB SER 81 8.414 -1.199 17.344 683 HG SER 81 HG SER 81 7.786 -0.919 19.557 684 H TYR 82 H TYR 82 7.462 -1.877 15.199 685 HA TYR 82 HA TYR 82 4.638 -1.443 15.315 686 HB2 TYR 82 1HB TYR 82 6.827 -1.179 13.292 687 HB3 TYR 82 2HB TYR 82 5.176 -1.292 12.673 688 HD1 TYR 82 HD1 TYR 82 3.529 0.415 13.088 689 HD2 TYR 82 HD2 TYR 82 7.517 0.819 14.673 690 HE1 TYR 82 HE1 TYR 82 3.136 2.855 13.524 691 HE2 TYR 82 HE2 TYR 82 7.099 3.236 15.101 692 HH TYR 82 HH TYR 82 5.637 5.043 14.648 693 H TRP 83 H TRP 83 6.659 -3.887 13.644 694 HA TRP 83 HA TRP 83 4.586 -5.186 12.257 695 HB2 TRP 83 1HB TRP 83 6.993 -5.610 11.897 696 HB3 TRP 83 2HB TRP 83 7.125 -6.302 13.505 697 HD1 TRP 83 HD1 TRP 83 5.751 -7.186 10.039 698 HE1 TRP 83 HE1 TRP 83 5.279 -9.686 9.895 699 HE3 TRP 83 HE3 TRP 83 6.660 -8.348 14.933 700 HZ2 TRP 83 HZ2 TRP 83 5.281 -11.898 11.675 701 HZ3 TRP 83 HZ3 TRP 83 6.430 -10.729 15.663 702 HH2 TRP 83 HH2 TRP 83 5.735 -12.487 14.031 703 H ASN 84 H ASN 84 5.737 -5.618 15.606 704 HA ASN 84 HA ASN 84 4.166 -7.929 16.199 705 HB2 ASN 84 1HB ASN 84 5.636 -5.861 17.766 706 HB3 ASN 84 2HB ASN 84 4.386 -6.772 18.621 707 HD21 ASN 84 2HD2 ASN 84 7.560 -6.828 17.334 708 HD22 ASN 84 1HD2 ASN 84 7.934 -8.479 17.781 709 H LEU 85 H LEU 85 3.358 -4.478 16.138 710 HA LEU 85 HA LEU 85 0.979 -4.684 17.747 711 HB2 LEU 85 1HB LEU 85 2.217 -2.569 17.176 712 HB3 LEU 85 2HB LEU 85 1.625 -2.717 15.525 713 HG LEU 85 HG LEU 85 -0.715 -2.851 17.004 714 HD11 LEU 85 1HD1 LEU 85 -0.612 -0.943 18.558 715 HD12 LEU 85 2HD1 LEU 85 1.137 -0.793 18.267 716 HD13 LEU 85 3HD1 LEU 85 0.484 -2.248 19.059 717 HD21 LEU 85 3HD2 LEU 85 0.642 -0.416 15.775 718 HD22 LEU 85 1HD2 LEU 85 -1.095 -0.572 16.137 719 HD23 LEU 85 2HD2 LEU 85 -0.351 -1.615 14.911 720 H ILE 86 H ILE 86 1.601 -4.919 14.209 721 HA ILE 86 HA ILE 86 -1.236 -5.293 13.687 722 HB ILE 86 HB ILE 86 1.124 -5.891 11.877 723 HG12 ILE 86 1HG1 ILE 86 -0.377 -3.629 11.026 724 HG13 ILE 86 2HG1 ILE 86 -0.096 -3.404 12.752 725 HG21 ILE 86 1HG2 ILE 86 -0.849 -7.089 11.128 726 HG22 ILE 86 2HG2 ILE 86 -1.880 -5.666 11.376 727 HG23 ILE 86 3HG2 ILE 86 -0.649 -5.676 10.079 728 HD11 ILE 86 3HD1 ILE 86 1.724 -2.376 11.663 729 HD12 ILE 86 1HD1 ILE 86 2.347 -3.920 12.281 730 HD13 ILE 86 2HD1 ILE 86 1.944 -3.755 10.557 731 H LYS 87 H LYS 87 1.555 -7.321 14.438 732 HA LYS 87 HA LYS 87 0.439 -9.804 13.611 733 HB2 LYS 87 1HB LYS 87 2.542 -10.324 14.197 734 HB3 LYS 87 2HB LYS 87 2.682 -8.908 15.223 735 HG2 LYS 87 1HG LYS 87 1.593 -10.130 17.081 736 HG3 LYS 87 2HG LYS 87 1.484 -11.574 16.060 737 HD2 LYS 87 1HD LYS 87 3.868 -11.769 15.994 738 HD3 LYS 87 2HD LYS 87 4.063 -10.151 16.700 739 HE2 LYS 87 1HE LYS 87 2.827 -10.980 18.744 740 HE3 LYS 87 2HE LYS 87 2.936 -12.621 18.069 741 HZ1 LYS 87 3HZ LYS 87 4.746 -12.124 19.612 742 HZ2 LYS 87 1HZ LYS 87 5.234 -10.844 18.689 743 HZ3 LYS 87 2HZ LYS 87 5.351 -12.384 18.099 744 H GLU 88 H GLU 88 0.140 -8.082 16.797 745 HA GLU 88 HA GLU 88 -1.511 -10.220 17.828 746 HB2 GLU 88 1HB GLU 88 -2.009 -8.709 19.678 747 HB3 GLU 88 2HB GLU 88 -0.278 -8.765 19.326 748 HG2 GLU 88 1HG GLU 88 -0.487 -6.640 18.087 749 HG3 GLU 88 2HG GLU 88 -2.189 -6.545 18.557 750 H LEU 89 H LEU 89 -2.173 -7.308 15.944 751 HA LEU 89 HA LEU 89 -4.997 -7.315 16.380 752 HB2 LEU 89 1HB LEU 89 -3.258 -6.214 14.191 753 HB3 LEU 89 2HB LEU 89 -5.010 -6.107 14.122 754 HG LEU 89 HG LEU 89 -3.319 -4.967 16.373 755 HD11 LEU 89 1HD1 LEU 89 -4.614 -3.584 13.989 756 HD12 LEU 89 2HD1 LEU 89 -2.870 -3.814 14.256 757 HD13 LEU 89 3HD1 LEU 89 -3.801 -2.773 15.347 758 HD21 LEU 89 3HD2 LEU 89 -5.450 -3.667 16.847 759 HD22 LEU 89 1HD2 LEU 89 -5.526 -5.398 17.210 760 HD23 LEU 89 2HD2 LEU 89 -6.285 -4.763 15.738 761 H ILE 90 H ILE 90 -2.969 -8.977 13.931 762 HA ILE 90 HA ILE 90 -5.361 -10.089 12.657 763 HB ILE 90 HB ILE 90 -2.479 -11.081 12.393 764 HG12 ILE 90 1HG1 ILE 90 -3.931 -9.279 10.430 765 HG13 ILE 90 2HG1 ILE 90 -2.917 -8.621 11.709 766 HG21 ILE 90 1HG2 ILE 90 -4.172 -12.721 11.635 767 HG22 ILE 90 2HG2 ILE 90 -4.993 -11.468 10.680 768 HG23 ILE 90 3HG2 ILE 90 -3.369 -12.023 10.217 769 HD11 ILE 90 3HD1 ILE 90 -1.958 -10.509 9.497 770 HD12 ILE 90 1HD1 ILE 90 -1.618 -8.774 9.626 771 HD13 ILE 90 2HD1 ILE 90 -0.948 -9.898 10.828 772 H ASP 91 H ASP 91 -2.852 -11.236 14.951 773 HA ASP 91 HA ASP 91 -3.639 -13.965 15.001 774 HB2 ASP 91 1HB ASP 91 -1.520 -12.951 15.917 775 HB3 ASP 91 2HB ASP 91 -2.461 -12.351 17.291 776 H LYS 92 H LYS 92 -4.911 -11.146 16.725 777 HA LYS 92 HA LYS 92 -6.962 -12.963 17.931 778 HB2 LYS 92 1HB LYS 92 -5.876 -10.325 18.951 779 HB3 LYS 92 2HB LYS 92 -7.225 -11.192 19.680 780 HG2 LYS 92 1HG LYS 92 -4.527 -12.555 19.380 781 HG3 LYS 92 2HG LYS 92 -4.836 -11.427 20.701 782 HD2 LYS 92 1HD LYS 92 -5.378 -13.435 21.718 783 HD3 LYS 92 2HD LYS 92 -6.963 -12.880 21.175 784 HE2 LYS 92 1HE LYS 92 -6.784 -15.237 20.710 785 HE3 LYS 92 2HE LYS 92 -6.758 -14.382 19.175 786 HZ1 LYS 92 3HZ LYS 92 -5.136 -16.114 19.197 787 HZ2 LYS 92 1HZ LYS 92 -4.399 -15.511 20.542 788 HZ3 LYS 92 2HZ LYS 92 -4.343 -14.674 19.123 789 H LYS 93 H LYS 93 -7.027 -11.868 15.228 790 HA LYS 93 HA LYS 93 -8.858 -9.658 15.147 791 HB2 LYS 93 1HB LYS 93 -9.273 -10.214 12.871 792 HB3 LYS 93 2HB LYS 93 -7.559 -10.463 13.197 793 HG2 LYS 93 1HG LYS 93 -8.087 -12.947 13.453 794 HG3 LYS 93 2HG LYS 93 -9.707 -12.574 12.829 795 HD2 LYS 93 1HD LYS 93 -8.684 -11.605 10.791 796 HD3 LYS 93 2HD LYS 93 -7.075 -11.980 11.426 797 HE2 LYS 93 1HE LYS 93 -7.626 -13.697 9.858 798 HE3 LYS 93 2HE LYS 93 -7.742 -14.412 11.480 799 HZ1 LYS 93 3HZ LYS 93 -10.041 -13.409 9.890 800 HZ2 LYS 93 1HZ LYS 93 -10.139 -14.127 11.371 801 HZ3 LYS 93 2HZ LYS 93 -9.633 -14.998 10.066 802 H GLU 94 H GLU 94 -9.200 -12.990 15.917 803 HA GLU 94 HA GLU 94 -11.931 -13.469 15.362 804 HB2 GLU 94 1HB GLU 94 -11.612 -15.128 17.340 805 HB3 GLU 94 2HB GLU 94 -10.646 -15.347 15.873 806 HG2 GLU 94 1HG GLU 94 -8.690 -14.357 16.920 807 HG3 GLU 94 2HG GLU 94 -9.630 -13.888 18.344 808 H VAL 95 H VAL 95 -10.415 -11.888 18.181 809 HA VAL 95 HA VAL 95 -13.139 -11.589 19.374 810 HB VAL 95 HB VAL 95 -11.949 -11.082 21.502 811 HG11 VAL 95 1HG1 VAL 95 -11.050 -13.726 20.262 812 HG12 VAL 95 2HG1 VAL 95 -11.233 -13.367 21.994 813 HG13 VAL 95 3HG1 VAL 95 -12.662 -13.408 20.941 814 HG21 VAL 95 3HG2 VAL 95 -9.544 -11.472 21.727 815 HG22 VAL 95 1HG2 VAL 95 -9.408 -11.864 20.000 816 HG23 VAL 95 2HG2 VAL 95 -9.827 -10.212 20.513 817 H ASN 96 H ASN 96 -11.299 -10.061 17.280 818 HA ASN 96 HA ASN 96 -12.082 -7.363 18.311 819 HB2 ASN 96 1HB ASN 96 -9.544 -8.245 16.930 820 HB3 ASN 96 2HB ASN 96 -10.128 -6.581 16.800 821 HD21 ASN 96 2HD2 ASN 96 -8.499 -8.854 18.756 822 HD22 ASN 96 1HD2 ASN 96 -8.251 -7.784 20.123 823 HA PRO 97 HA PRO 97 -14.044 -8.403 14.270 824 HB2 PRO 97 1HB PRO 97 -16.480 -7.232 14.724 825 HB3 PRO 97 2HB PRO 97 -16.086 -8.900 15.254 826 HG2 PRO 97 1HG PRO 97 -15.952 -6.344 16.846 827 HG3 PRO 97 2HG PRO 97 -16.767 -7.888 17.259 828 HD2 PRO 97 1HD PRO 97 -14.325 -7.327 18.220 829 HD3 PRO 97 2HD PRO 97 -14.722 -8.989 17.657 830 H GLN 98 H GLN 98 -13.489 -5.537 16.128 831 HA GLN 98 HA GLN 98 -14.222 -3.569 14.198 832 HB2 GLN 98 1HB GLN 98 -12.686 -2.088 15.522 833 HB3 GLN 98 2HB GLN 98 -13.916 -2.915 16.485 834 HG2 GLN 98 1HG GLN 98 -12.067 -4.649 17.056 835 HG3 GLN 98 2HG GLN 98 -10.933 -3.460 16.400 836 HE21 GLN 98 2HE2 GLN 98 -11.171 -4.506 19.139 837 HE22 GLN 98 1HE2 GLN 98 -11.472 -3.108 20.145 838 H VAL 99 H VAL 99 -11.162 -5.337 14.883 839 HA VAL 99 HA VAL 99 -9.955 -3.982 12.612 840 HB VAL 99 HB VAL 99 -8.738 -4.592 14.802 841 HG11 VAL 99 1HG1 VAL 99 -7.652 -6.731 14.921 842 HG12 VAL 99 2HG1 VAL 99 -9.382 -7.038 14.695 843 HG13 VAL 99 3HG1 VAL 99 -8.267 -7.212 13.326 844 HG21 VAL 99 3HG2 VAL 99 -7.703 -3.586 12.805 845 HG22 VAL 99 1HG2 VAL 99 -6.615 -4.738 13.594 846 HG23 VAL 99 2HG2 VAL 99 -7.466 -5.206 12.116 847 H MET 100 H MET 100 -11.591 -6.999 13.231 848 HA MET 100 HA MET 100 -10.508 -8.571 11.143 849 HB2 MET 100 1HB MET 100 -11.980 -9.498 12.830 850 HB3 MET 100 2HB MET 100 -13.306 -8.461 12.304 851 HG2 MET 100 1HG MET 100 -13.575 -10.795 11.561 852 HG3 MET 100 2HG MET 100 -13.521 -9.640 10.224 853 HE1 MET 100 3HE MET 100 -13.031 -11.682 8.370 854 HE2 MET 100 1HE MET 100 -12.466 -9.998 8.218 855 HE3 MET 100 2HE MET 100 -11.366 -11.348 7.829 856 H ALA 101 H ALA 101 -13.018 -6.010 11.032 857 HA ALA 101 HA ALA 101 -13.753 -6.523 8.326 858 HB1 ALA 101 3HB ALA 101 -14.578 -4.171 8.348 859 HB2 ALA 101 1HB ALA 101 -15.055 -5.042 9.825 860 HB3 ALA 101 2HB ALA 101 -13.706 -3.881 9.870 861 H ALA 102 H ALA 102 -10.994 -4.730 9.719 862 HA ALA 102 HA ALA 102 -10.201 -3.559 7.189 863 HB1 ALA 102 3HB ALA 102 -8.077 -3.075 8.383 864 HB2 ALA 102 1HB ALA 102 -9.504 -2.518 9.258 865 HB3 ALA 102 2HB ALA 102 -8.677 -3.993 9.782 866 H VAL 103 H VAL 103 -9.543 -6.599 8.911 867 HA VAL 103 HA VAL 103 -7.260 -7.439 7.383 868 HB VAL 103 HB VAL 103 -9.546 -9.089 8.617 869 HG11 VAL 103 1HG1 VAL 103 -6.824 -10.064 7.744 870 HG12 VAL 103 2HG1 VAL 103 -8.095 -11.026 8.507 871 HG13 VAL 103 3HG1 VAL 103 -8.336 -10.379 6.876 872 HG21 VAL 103 3HG2 VAL 103 -6.761 -8.497 9.691 873 HG22 VAL 103 1HG2 VAL 103 -8.259 -7.723 10.247 874 HG23 VAL 103 2HG2 VAL 103 -8.022 -9.456 10.494 875 H ALA 104 H ALA 104 -10.789 -7.992 6.882 876 HA ALA 104 HA ALA 104 -10.432 -9.335 4.380 877 HB1 ALA 104 3HB ALA 104 -12.489 -9.535 5.708 878 HB2 ALA 104 1HB ALA 104 -12.840 -7.803 5.473 879 HB3 ALA 104 2HB ALA 104 -12.864 -8.919 4.085 880 H GLN 105 H GLN 105 -11.002 -5.890 5.176 881 HA GLN 105 HA GLN 105 -11.309 -5.029 2.464 882 HB2 GLN 105 1HB GLN 105 -10.429 -3.646 5.009 883 HB3 GLN 105 2HB GLN 105 -10.478 -2.798 3.454 884 HG2 GLN 105 1HG GLN 105 -12.845 -3.175 3.234 885 HG3 GLN 105 2HG GLN 105 -12.866 -4.225 4.652 886 HE21 GLN 105 2HE2 GLN 105 -14.349 -3.009 5.781 887 HE22 GLN 105 1HE2 GLN 105 -13.979 -1.422 6.415 888 H THR 106 H THR 106 -8.413 -5.412 4.547 889 HA THR 106 HA THR 106 -6.593 -4.170 2.738 890 HB THR 106 HB THR 106 -5.931 -6.491 4.618 891 HG1 THR 106 HG1 THR 106 -6.943 -4.902 5.812 892 HG21 THR 106 1HG2 THR 106 -3.739 -5.352 4.758 893 HG22 THR 106 2HG2 THR 106 -4.291 -4.157 3.565 894 HG23 THR 106 3HG2 THR 106 -4.107 -5.866 3.101 895 H GLU 107 H GLU 107 -7.726 -7.566 3.071 896 HA GLU 107 HA GLU 107 -5.984 -8.724 1.203 897 HB2 GLU 107 1HB GLU 107 -8.865 -9.395 1.890 898 HB3 GLU 107 2HB GLU 107 -7.858 -10.398 0.835 899 HG2 GLU 107 1HG GLU 107 -6.222 -10.639 2.616 900 HG3 GLU 107 2HG GLU 107 -7.215 -9.666 3.687 901 H GLU 108 H GLU 108 -9.232 -7.284 0.499 902 HA GLU 108 HA GLU 108 -8.806 -7.855 -2.315 903 HB2 GLU 108 1HB GLU 108 -10.918 -6.146 -0.980 904 HB3 GLU 108 2HB GLU 108 -10.895 -6.629 -2.683 905 HG2 GLU 108 1HG GLU 108 -11.207 -8.416 -0.253 906 HG3 GLU 108 2HG GLU 108 -12.379 -8.132 -1.550 907 H ILE 109 H ILE 109 -8.247 -5.004 -0.297 908 HA ILE 109 HA ILE 109 -7.880 -3.184 -2.515 909 HB ILE 109 HB ILE 109 -6.821 -3.193 0.344 910 HG12 ILE 109 1HG1 ILE 109 -8.794 -1.294 -0.975 911 HG13 ILE 109 2HG1 ILE 109 -9.311 -2.814 -0.249 912 HG21 ILE 109 1HG2 ILE 109 -6.217 -1.289 -1.938 913 HG22 ILE 109 2HG2 ILE 109 -6.364 -0.649 -0.292 914 HG23 ILE 109 3HG2 ILE 109 -5.155 -1.889 -0.635 915 HD11 ILE 109 3HD1 ILE 109 -8.021 -0.461 1.173 916 HD12 ILE 109 1HD1 ILE 109 -9.658 -1.114 1.395 917 HD13 ILE 109 2HD1 ILE 109 -8.246 -2.060 1.923 918 H LEU 110 H LEU 110 -5.747 -5.488 -0.803 919 HA LEU 110 HA LEU 110 -3.322 -4.707 -2.060 920 HB2 LEU 110 1HB LEU 110 -4.361 -6.998 -0.546 921 HB3 LEU 110 2HB LEU 110 -3.120 -7.446 -1.703 922 HG LEU 110 HG LEU 110 -1.512 -6.007 -0.693 923 HD11 LEU 110 1HD1 LEU 110 -2.077 -4.740 1.451 924 HD12 LEU 110 2HD1 LEU 110 -3.774 -4.913 0.984 925 HD13 LEU 110 3HD1 LEU 110 -2.654 -4.028 -0.065 926 HD21 LEU 110 3HD2 LEU 110 -1.372 -7.010 1.561 927 HD22 LEU 110 1HD2 LEU 110 -1.868 -8.204 0.346 928 HD23 LEU 110 2HD2 LEU 110 -3.080 -7.501 1.439 929 H LYS 111 H LYS 111 -6.006 -6.524 -3.397 930 HA LYS 111 HA LYS 111 -4.460 -7.811 -5.493 931 HB2 LYS 111 1HB LYS 111 -7.385 -7.020 -5.641 932 HB3 LYS 111 2HB LYS 111 -6.591 -8.346 -6.488 933 HG2 LYS 111 1HG LYS 111 -7.002 -8.208 -3.485 934 HG3 LYS 111 2HG LYS 111 -8.104 -9.005 -4.601 935 HD2 LYS 111 1HD LYS 111 -6.421 -10.634 -5.203 936 HD3 LYS 111 2HD LYS 111 -5.181 -9.772 -4.266 937 HE2 LYS 111 1HE LYS 111 -6.092 -11.745 -3.034 938 HE3 LYS 111 2HE LYS 111 -6.349 -10.217 -2.182 939 HZ1 LYS 111 3HZ LYS 111 -8.386 -11.739 -3.693 940 HZ2 LYS 111 1HZ LYS 111 -8.643 -10.215 -3.127 941 HZ3 LYS 111 2HZ LYS 111 -8.363 -11.439 -2.071 942 H SER 112 H SER 112 -6.107 -4.726 -5.085 943 HA SER 112 HA SER 112 -5.810 -3.954 -7.901 944 HB2 SER 112 1HB SER 112 -7.753 -3.273 -6.481 945 HB3 SER 112 2HB SER 112 -6.646 -2.317 -5.476 946 HG SER 112 HG SER 112 -6.058 -1.239 -7.508 947 H ASN 113 H ASN 113 -4.019 -3.663 -4.959 948 HA ASN 113 HA ASN 113 -2.628 -1.201 -5.682 949 HB2 ASN 113 1HB ASN 113 -2.397 -3.228 -3.436 950 HB3 ASN 113 2HB ASN 113 -1.254 -1.895 -3.602 951 HD21 ASN 113 2HD2 ASN 113 -2.059 -1.392 -1.458 952 HD22 ASN 113 1HD2 ASN 113 -3.476 -0.381 -1.340 953 H SER 114 H SER 114 -0.173 -1.220 -5.328 954 HA SER 114 HA SER 114 1.924 -1.766 -6.059 955 HB2 SER 114 1HB SER 114 1.416 -3.618 -4.419 956 HB3 SER 114 2HB SER 114 1.051 -4.662 -5.805 957 HG SER 114 HG SER 114 3.135 -4.465 -6.495 958 H GLN 115 H GLN 115 0.377 -1.081 -8.120 959 HA GLN 115 HA GLN 115 0.451 -2.988 -10.301 960 HB2 GLN 115 1HB GLN 115 -0.004 0.016 -10.248 961 HB3 GLN 115 2HB GLN 115 -0.268 -1.035 -11.652 962 HG2 GLN 115 1HG GLN 115 -1.992 -2.284 -10.408 963 HG3 GLN 115 2HG GLN 115 -1.722 -1.266 -8.988 964 HE21 GLN 115 2HE2 GLN 115 -3.946 -0.735 -9.055 965 HE22 GLN 115 1HE2 GLN 115 -4.518 0.488 -10.178 966 H THR 116 H THR 116 2.917 -3.246 -9.605 967 HA THR 116 HA THR 116 5.119 -3.099 -10.174 968 HB THR 116 HB THR 116 4.249 -2.080 -12.846 969 HG1 THR 116 HG1 THR 116 2.776 -3.658 -12.399 970 HG21 THR 116 1HG2 THR 116 6.243 -4.203 -11.957 971 HG22 THR 116 2HG2 THR 116 6.669 -2.542 -12.433 972 HG23 THR 116 3HG2 THR 116 5.976 -3.658 -13.630 973 H ASP 117 H ASP 117 4.559 -1.018 -8.711 974 HA ASP 117 HA ASP 117 6.034 1.243 -9.967 975 HB2 ASP 117 1HB ASP 117 3.556 1.629 -9.912 976 HB3 ASP 117 2HB ASP 117 3.620 1.515 -8.147 977 H LEU 118 H LEU 118 7.926 1.289 -8.926 978 HA LEU 118 HA LEU 118 7.932 1.001 -5.942 979 HB2 LEU 118 1HB LEU 118 10.035 0.107 -7.942 980 HB3 LEU 118 2HB LEU 118 10.168 -0.021 -6.191 981 HG LEU 118 HG LEU 118 8.109 -1.487 -7.882 982 HD11 LEU 118 1HD1 LEU 118 10.698 -2.481 -6.622 983 HD12 LEU 118 2HD1 LEU 118 10.409 -2.228 -8.361 984 HD13 LEU 118 3HD1 LEU 118 9.501 -3.476 -7.484 985 HD21 LEU 118 3HD2 LEU 118 7.318 -1.179 -5.588 986 HD22 LEU 118 1HD2 LEU 118 8.874 -1.756 -4.939 987 HD23 LEU 118 2HD2 LEU 118 7.803 -2.867 -5.824 988 H GLU 119 H GLU 119 9.352 2.312 -4.788 989 HA GLU 119 HA GLU 119 10.372 4.308 -4.288 990 HB2 GLU 119 1HB GLU 119 11.920 3.279 -6.650 991 HB3 GLU 119 2HB GLU 119 12.330 4.855 -5.982 992 HG2 GLU 119 1HG GLU 119 12.146 2.465 -4.169 993 HG3 GLU 119 2HG GLU 119 13.600 2.779 -5.134 994 H HIS 120 H HIS 120 7.926 4.594 -5.967 995 HA HIS 120 HA HIS 120 8.364 6.568 -7.942 996 HB2 HIS 120 1HB HIS 120 6.009 6.857 -8.050 997 HB3 HIS 120 2HB HIS 120 6.368 5.158 -7.772 998 HD1 HIS 120 HD1 HIS 120 3.894 4.850 -6.958 999 HD2 HIS 120 HD2 HIS 120 6.237 7.374 -4.550 1000 HE1 HIS 120 HE1 HIS 120 2.638 5.182 -4.754 1001 H HIS 121 H HIS 121 8.781 7.036 -4.677 1002 HA HIS 121 HA HIS 121 8.476 9.994 -5.072 1003 HB2 HIS 121 1HB HIS 121 7.043 9.021 -3.219 1004 HB3 HIS 121 2HB HIS 121 8.529 8.485 -2.424 1005 HD1 HIS 121 HD1 HIS 121 10.299 10.572 -1.824 1006 HD2 HIS 121 HD2 HIS 121 6.287 11.565 -2.584 1007 HE1 HIS 121 HE1 HIS 121 9.913 12.911 -0.881 1008 H HIS 122 H HIS 122 10.483 10.786 -5.508 1009 HA HIS 122 HA HIS 122 12.814 9.247 -5.402 1010 HB2 HIS 122 1HB HIS 122 12.619 12.278 -5.160 1011 HB3 HIS 122 2HB HIS 122 14.071 11.370 -5.606 1012 HD1 HIS 122 HD1 HIS 122 13.517 9.649 -7.876 1013 HD2 HIS 122 HD2 HIS 122 11.366 13.222 -7.395 1014 HE1 HIS 122 HE1 HIS 122 12.535 10.238 -10.150 1015 H HIS 123 H HIS 123 14.225 8.649 -3.946 1016 HA HIS 123 HA HIS 123 13.493 9.135 -1.129 1017 HB2 HIS 123 1HB HIS 123 13.800 6.909 -2.570 1018 HB3 HIS 123 2HB HIS 123 15.476 7.086 -2.071 1019 HD1 HIS 123 HD1 HIS 123 12.746 5.163 -1.196 1020 HD2 HIS 123 HD2 HIS 123 15.239 7.677 1.078 1021 HE1 HIS 123 HE1 HIS 123 12.547 4.415 1.248 1022 H HIS 124 H HIS 124 15.186 11.145 -2.526 1023 HA HIS 124 HA HIS 124 17.175 12.271 -2.369 1024 HB2 HIS 124 1HB HIS 124 16.577 11.404 0.367 1025 HB3 HIS 124 2HB HIS 124 18.303 11.629 0.105 1026 HD1 HIS 124 HD1 HIS 124 19.003 14.070 -1.003 1027 HD2 HIS 124 HD2 HIS 124 15.260 13.769 0.870 1028 HE1 HIS 124 HE1 HIS 124 18.234 16.447 -0.492 1029 H HIS 125 H HIS 125 17.683 10.700 -4.069 1030 HA HIS 125 HA HIS 125 20.283 9.391 -3.472 1031 HB2 HIS 125 1HB HIS 125 18.146 8.430 -5.449 1032 HB3 HIS 125 2HB HIS 125 19.783 7.782 -5.309 1033 HD1 HIS 125 HD1 HIS 125 17.312 5.898 -5.029 1034 HD2 HIS 125 HD2 HIS 125 19.260 7.735 -1.799 1035 HE1 HIS 125 HE1 HIS 125 16.775 4.510 -2.969 Start of MODEL 26 1 H21 MYR 1 1H2 MYR 1 1.168 -0.505 -0.815 2 H22 MYR 1 2H2 MYR 1 2.148 -0.859 0.592 3 H31 MYR 1 1H3 MYR 1 -0.492 -2.236 -0.173 4 H32 MYR 1 2H3 MYR 1 1.123 -2.920 -0.296 5 H41 MYR 1 1H4 MYR 1 1.144 -2.350 2.382 6 H42 MYR 1 2H4 MYR 1 -0.594 -2.461 2.154 7 H51 MYR 1 1H5 MYR 1 0.104 -4.789 0.921 8 H52 MYR 1 2H5 MYR 1 1.541 -4.626 1.904 9 H61 MYR 1 1H6 MYR 1 -1.321 -4.563 3.069 10 H62 MYR 1 2H6 MYR 1 -0.400 -6.036 2.861 11 H71 MYR 1 1H7 MYR 1 0.187 -5.658 5.050 12 H72 MYR 1 2H7 MYR 1 1.471 -4.743 4.298 13 H81 MYR 1 1H8 MYR 1 0.731 -3.209 5.906 14 H82 MYR 1 2H8 MYR 1 -0.211 -2.680 4.535 15 H91 MYR 1 1H9 MYR 1 -2.054 -4.392 5.498 16 H92 MYR 1 2H9 MYR 1 -1.900 -2.761 6.120 17 H101 MYR 1 1H10 MYR 1 -0.471 -3.568 8.005 18 H102 MYR 1 2H10 MYR 1 -0.577 -5.221 7.418 19 H111 MYR 1 1H11 MYR 1 -2.173 -4.441 9.357 20 H112 MYR 1 2H11 MYR 1 -3.094 -3.603 8.122 21 H121 MYR 1 1H12 MYR 1 -3.524 -5.774 6.929 22 H122 MYR 1 2H12 MYR 1 -2.459 -6.619 8.043 23 H131 MYR 1 1H13 MYR 1 -4.655 -7.125 8.815 24 H132 MYR 1 2H13 MYR 1 -4.052 -5.942 9.963 25 H141 MYR 1 1H14 MYR 1 -5.915 -5.306 7.594 26 H142 MYR 1 2H14 MYR 1 -6.431 -5.496 9.274 27 H143 MYR 1 3H14 MYR 1 -5.383 -4.143 8.824 28 H GLY 2 H GLY 2 1.839 0.219 2.364 29 HA2 GLY 2 1HA GLY 2 -0.484 1.429 3.435 30 HA3 GLY 2 2HA GLY 2 1.185 1.863 3.832 31 H GLN 3 H GLN 3 1.779 2.514 0.973 32 HA GLN 3 HA GLN 3 1.212 5.285 0.989 33 HB2 GLN 3 1HB GLN 3 1.937 5.259 -1.356 34 HB3 GLN 3 2HB GLN 3 3.003 4.282 -0.347 35 HG2 GLN 3 1HG GLN 3 1.852 2.210 -1.176 36 HG3 GLN 3 2HG GLN 3 0.864 3.219 -2.238 37 HE21 GLN 3 2HE2 GLN 3 1.523 3.333 -4.255 38 HE22 GLN 3 1HE2 GLN 3 3.173 3.155 -4.797 39 H GLU 4 H GLU 4 -0.621 2.568 -0.469 40 HA GLU 4 HA GLU 4 -2.599 4.445 -1.575 41 HB2 GLU 4 1HB GLU 4 -1.952 2.430 -2.793 42 HB3 GLU 4 2HB GLU 4 -2.536 1.411 -1.467 43 HG2 GLU 4 1HG GLU 4 -4.778 1.939 -1.876 44 HG3 GLU 4 2HG GLU 4 -4.358 3.400 -2.783 45 H LEU 5 H LEU 5 -2.328 2.097 1.083 46 HA LEU 5 HA LEU 5 -5.056 2.060 1.801 47 HB2 LEU 5 1HB LEU 5 -2.594 1.753 3.531 48 HB3 LEU 5 2HB LEU 5 -4.222 1.398 4.076 49 HG LEU 5 HG LEU 5 -2.796 -0.031 1.809 50 HD11 LEU 5 1HD1 LEU 5 -1.750 -0.471 3.985 51 HD12 LEU 5 2HD1 LEU 5 -2.607 -1.904 3.386 52 HD13 LEU 5 3HD1 LEU 5 -3.337 -0.911 4.667 53 HD21 LEU 5 3HD2 LEU 5 -5.211 -0.098 1.532 54 HD22 LEU 5 1HD2 LEU 5 -5.418 -0.646 3.208 55 HD23 LEU 5 2HD2 LEU 5 -4.606 -1.689 2.018 56 H SER 6 H SER 6 -2.481 4.239 3.106 57 HA SER 6 HA SER 6 -4.122 5.866 4.679 58 HB2 SER 6 1HB SER 6 -2.394 7.608 4.291 59 HB3 SER 6 2HB SER 6 -1.675 6.026 4.632 60 HG SER 6 HG SER 6 -1.159 5.772 2.511 61 H GLN 7 H GLN 7 -3.893 5.928 1.129 62 HA GLN 7 HA GLN 7 -5.261 8.548 1.037 63 HB2 GLN 7 1HB GLN 7 -4.424 6.594 -1.137 64 HB3 GLN 7 2HB GLN 7 -5.173 8.169 -1.429 65 HG2 GLN 7 1HG GLN 7 -3.258 9.276 -0.325 66 HG3 GLN 7 2HG GLN 7 -2.500 7.697 -0.079 67 HE21 GLN 7 2HE2 GLN 7 -1.359 6.779 -1.692 68 HE22 GLN 7 1HE2 GLN 7 -1.212 7.462 -3.302 69 H HIS 8 H HIS 8 -6.046 5.186 1.126 70 HA HIS 8 HA HIS 8 -8.602 5.514 -0.282 71 HB2 HIS 8 1HB HIS 8 -7.080 3.402 -0.118 72 HB3 HIS 8 2HB HIS 8 -7.824 3.141 1.440 73 HD1 HIS 8 HD1 HIS 8 -8.783 0.872 0.287 74 HD2 HIS 8 HD2 HIS 8 -10.280 4.471 -1.253 75 HE1 HIS 8 HE1 HIS 8 -10.860 0.289 -1.065 76 H GLU 9 H GLU 9 -9.561 7.211 1.004 77 HA GLU 9 HA GLU 9 -9.596 7.235 3.768 78 HB2 GLU 9 1HB GLU 9 -10.292 9.097 2.308 79 HB3 GLU 9 2HB GLU 9 -11.845 8.281 2.036 80 HG2 GLU 9 1HG GLU 9 -12.450 8.480 4.352 81 HG3 GLU 9 2HG GLU 9 -10.801 8.927 4.814 82 H ARG 10 H ARG 10 -11.878 5.330 1.755 83 HA ARG 10 HA ARG 10 -13.643 4.749 3.930 84 HB2 ARG 10 1HB ARG 10 -14.107 4.298 1.517 85 HB3 ARG 10 2HB ARG 10 -12.963 2.953 1.569 86 HG2 ARG 10 1HG ARG 10 -15.256 2.130 1.749 87 HG3 ARG 10 2HG ARG 10 -14.389 1.814 3.261 88 HD2 ARG 10 1HD ARG 10 -15.475 3.660 4.368 89 HD3 ARG 10 2HD ARG 10 -16.175 4.241 2.846 90 HE ARG 10 HE ARG 10 -17.131 1.648 3.145 91 HH11 ARG 10 1HH1 ARG 10 -17.318 4.598 5.108 92 HH12 ARG 10 2HH1 ARG 10 -18.883 4.167 5.742 93 HH21 ARG 10 1HH2 ARG 10 -19.124 1.179 4.019 94 HH22 ARG 10 2HH2 ARG 10 -19.876 2.274 5.146 95 H TYR 11 H TYR 11 -10.564 3.222 2.964 96 HA TYR 11 HA TYR 11 -10.759 1.068 4.906 97 HB2 TYR 11 1HB TYR 11 -9.295 0.934 2.928 98 HB3 TYR 11 2HB TYR 11 -8.376 2.329 3.494 99 HD1 TYR 11 HD2 TYR 11 -9.231 -1.215 4.330 100 HD2 TYR 11 HD1 TYR 11 -6.565 2.088 5.028 101 HE1 TYR 11 HE2 TYR 11 -7.674 -2.727 5.563 102 HE2 TYR 11 HE1 TYR 11 -5.019 0.568 6.269 103 HH TYR 11 HH TYR 11 -4.572 -1.579 6.907 104 H VAL 12 H VAL 12 -9.143 4.259 4.714 105 HA VAL 12 HA VAL 12 -7.987 4.274 7.304 106 HB VAL 12 HB VAL 12 -9.136 6.615 5.716 107 HG11 VAL 12 1HG1 VAL 12 -8.854 7.281 8.061 108 HG12 VAL 12 2HG1 VAL 12 -7.200 6.629 8.068 109 HG13 VAL 12 3HG1 VAL 12 -7.601 8.037 7.060 110 HG21 VAL 12 3HG2 VAL 12 -6.794 6.981 5.039 111 HG22 VAL 12 1HG2 VAL 12 -6.309 5.519 5.927 112 HG23 VAL 12 2HG2 VAL 12 -7.373 5.397 4.514 113 H GLU 13 H GLU 13 -11.315 5.095 6.289 114 HA GLU 13 HA GLU 13 -12.244 6.249 8.669 115 HB2 GLU 13 1HB GLU 13 -13.401 6.121 6.447 116 HB3 GLU 13 2HB GLU 13 -13.767 4.431 6.792 117 HG2 GLU 13 1HG GLU 13 -15.010 5.199 8.834 118 HG3 GLU 13 2HG GLU 13 -14.778 6.864 8.271 119 H GLN 14 H GLN 14 -12.169 2.783 7.749 120 HA GLN 14 HA GLN 14 -13.427 2.010 10.243 121 HB2 GLN 14 1HB GLN 14 -13.756 0.177 9.014 122 HB3 GLN 14 2HB GLN 14 -12.797 0.880 7.724 123 HG2 GLN 14 1HG GLN 14 -11.970 -1.301 8.182 124 HG3 GLN 14 2HG GLN 14 -10.766 -0.113 8.686 125 HE21 GLN 14 2HE2 GLN 14 -13.739 -1.305 10.272 126 HE22 GLN 14 1HE2 GLN 14 -12.935 -1.881 11.708 127 H LEU 15 H LEU 15 -10.120 2.344 8.975 128 HA LEU 15 HA LEU 15 -8.780 1.148 11.190 129 HB2 LEU 15 1HB LEU 15 -8.083 2.822 8.870 130 HB3 LEU 15 2HB LEU 15 -7.008 3.012 10.235 131 HG LEU 15 HG LEU 15 -6.308 1.385 8.440 132 HD11 LEU 15 1HD1 LEU 15 -5.405 -0.243 10.068 133 HD12 LEU 15 2HD1 LEU 15 -6.488 0.424 11.310 134 HD13 LEU 15 3HD1 LEU 15 -5.222 1.443 10.586 135 HD21 LEU 15 3HD2 LEU 15 -8.380 -0.422 9.744 136 HD22 LEU 15 1HD2 LEU 15 -7.169 -0.893 8.539 137 HD23 LEU 15 2HD2 LEU 15 -8.457 0.238 8.091 138 H LYS 16 H LYS 16 -10.258 4.322 10.869 139 HA LYS 16 HA LYS 16 -8.838 5.712 12.917 140 HB2 LYS 16 1HB LYS 16 -11.806 5.781 12.243 141 HB3 LYS 16 2HB LYS 16 -11.018 6.911 13.338 142 HG2 LYS 16 1HG LYS 16 -9.685 7.848 11.508 143 HG3 LYS 16 2HG LYS 16 -10.315 6.631 10.403 144 HD2 LYS 16 1HD LYS 16 -12.649 7.507 10.920 145 HD3 LYS 16 2HD LYS 16 -11.859 8.896 11.684 146 HE2 LYS 16 1HE LYS 16 -11.425 8.014 8.784 147 HE3 LYS 16 2HE LYS 16 -12.584 9.250 9.276 148 HZ1 LYS 16 3HZ LYS 16 -10.553 10.218 8.473 149 HZ2 LYS 16 1HZ LYS 16 -9.652 9.423 9.605 150 HZ3 LYS 16 2HZ LYS 16 -10.734 10.581 10.072 151 H GLN 17 H GLN 17 -11.431 3.286 13.061 152 HA GLN 17 HA GLN 17 -11.638 3.479 15.962 153 HB2 GLN 17 1HB GLN 17 -12.597 1.285 14.084 154 HB3 GLN 17 2HB GLN 17 -13.083 1.509 15.765 155 HG2 GLN 17 1HG GLN 17 -13.679 3.384 13.443 156 HG3 GLN 17 2HG GLN 17 -14.823 2.299 14.242 157 HE21 GLN 17 2HE2 GLN 17 -14.832 5.242 13.896 158 HE22 GLN 17 1HE2 GLN 17 -14.975 5.888 15.514 159 H ALA 18 H ALA 18 -10.091 1.231 13.623 160 HA ALA 18 HA ALA 18 -9.287 -0.641 15.608 161 HB1 ALA 18 3HB ALA 18 -8.076 -0.084 12.882 162 HB2 ALA 18 1HB ALA 18 -7.814 -1.543 13.866 163 HB3 ALA 18 2HB ALA 18 -9.438 -1.178 13.234 164 H LEU 19 H LEU 19 -7.559 2.254 14.344 165 HA LEU 19 HA LEU 19 -5.074 1.715 15.702 166 HB2 LEU 19 1HB LEU 19 -6.368 4.049 14.408 167 HB3 LEU 19 2HB LEU 19 -5.390 4.476 15.801 168 HG LEU 19 HG LEU 19 -3.514 3.098 14.681 169 HD11 LEU 19 1HD1 LEU 19 -5.297 3.622 12.277 170 HD12 LEU 19 2HD1 LEU 19 -4.717 2.048 12.867 171 HD13 LEU 19 3HD1 LEU 19 -3.562 3.217 12.165 172 HD21 LEU 19 3HD2 LEU 19 -2.771 5.057 13.351 173 HD22 LEU 19 1HD2 LEU 19 -3.389 5.517 14.959 174 HD23 LEU 19 2HD2 LEU 19 -4.403 5.757 13.515 175 H LYS 20 H LYS 20 -8.135 3.259 16.661 176 HA LYS 20 HA LYS 20 -7.170 4.131 19.226 177 HB2 LYS 20 1HB LYS 20 -9.183 4.954 17.820 178 HB3 LYS 20 2HB LYS 20 -10.081 3.617 18.537 179 HG2 LYS 20 1HG LYS 20 -8.590 5.487 20.362 180 HG3 LYS 20 2HG LYS 20 -10.066 6.077 19.581 181 HD2 LYS 20 1HD LYS 20 -11.340 4.180 20.522 182 HD3 LYS 20 2HD LYS 20 -9.868 3.581 21.308 183 HE2 LYS 20 1HE LYS 20 -9.683 5.749 22.540 184 HE3 LYS 20 2HE LYS 20 -11.242 6.237 21.839 185 HZ1 LYS 20 3HZ LYS 20 -12.249 4.310 22.919 186 HZ2 LYS 20 1HZ LYS 20 -11.521 5.277 24.041 187 HZ3 LYS 20 2HZ LYS 20 -10.800 3.868 23.573 188 H THR 21 H THR 21 -8.965 1.172 18.190 189 HA THR 21 HA THR 21 -9.458 0.324 20.901 190 HB THR 21 HB THR 21 -9.829 -1.958 19.871 191 HG1 THR 21 HG1 THR 21 -9.508 -2.222 17.749 192 HG21 THR 21 1HG2 THR 21 -11.692 -0.369 20.061 193 HG22 THR 21 2HG2 THR 21 -11.813 -1.307 18.560 194 HG23 THR 21 3HG2 THR 21 -11.240 0.372 18.510 195 H ARG 22 H ARG 22 -6.618 -0.009 18.805 196 HA ARG 22 HA ARG 22 -5.490 -2.121 20.435 197 HB2 ARG 22 1HB ARG 22 -4.848 -1.628 18.048 198 HB3 ARG 22 2HB ARG 22 -4.047 -0.165 18.616 199 HG2 ARG 22 1HG ARG 22 -2.337 -1.789 18.314 200 HG3 ARG 22 2HG ARG 22 -2.556 -1.646 20.049 201 HD2 ARG 22 1HD ARG 22 -3.800 -3.860 18.391 202 HD3 ARG 22 2HD ARG 22 -2.229 -3.996 19.182 203 HE ARG 22 HE ARG 22 -4.853 -4.159 20.422 204 HH11 ARG 22 1HH1 ARG 22 -1.425 -3.589 21.103 205 HH12 ARG 22 2HH1 ARG 22 -1.639 -3.895 22.803 206 HH21 ARG 22 1HH2 ARG 22 -5.007 -4.572 22.585 207 HH22 ARG 22 2HH2 ARG 22 -3.605 -4.475 23.611 208 H GLY 23 H GLY 23 -5.823 1.307 20.732 209 HA2 GLY 23 1HA GLY 23 -5.507 2.564 22.635 210 HA3 GLY 23 2HA GLY 23 -4.837 1.140 23.442 211 H VAL 24 H VAL 24 -3.270 1.831 20.490 212 HA VAL 24 HA VAL 24 -0.938 2.772 22.058 213 HB VAL 24 HB VAL 24 -1.069 1.738 19.192 214 HG11 VAL 24 1HG1 VAL 24 0.852 3.228 19.585 215 HG12 VAL 24 2HG1 VAL 24 1.301 2.303 21.035 216 HG13 VAL 24 3HG1 VAL 24 1.396 1.552 19.429 217 HG21 VAL 24 3HG2 VAL 24 -1.653 0.013 20.889 218 HG22 VAL 24 1HG2 VAL 24 -0.101 -0.330 20.107 219 HG23 VAL 24 2HG2 VAL 24 -0.140 0.351 21.750 220 H LYS 25 H LYS 25 -0.519 4.840 22.124 221 HA LYS 25 HA LYS 25 -1.853 6.696 20.320 222 HB2 LYS 25 1HB LYS 25 -0.529 8.413 21.673 223 HB3 LYS 25 2HB LYS 25 -1.753 7.467 22.521 224 HG2 LYS 25 1HG LYS 25 -0.027 6.020 23.504 225 HG3 LYS 25 2HG LYS 25 1.236 6.886 22.610 226 HD2 LYS 25 1HD LYS 25 0.550 8.994 23.765 227 HD3 LYS 25 2HD LYS 25 -0.597 8.052 24.739 228 HE2 LYS 25 1HE LYS 25 2.418 7.596 24.642 229 HE3 LYS 25 2HE LYS 25 1.569 8.502 25.908 230 HZ1 LYS 25 3HZ LYS 25 1.983 6.227 26.589 231 HZ2 LYS 25 1HZ LYS 25 1.155 5.630 25.295 232 HZ3 LYS 25 2HZ LYS 25 0.358 6.476 26.465 233 H VAL 26 H VAL 26 -0.999 6.069 18.316 234 HA VAL 26 HA VAL 26 1.641 7.365 17.779 235 HB VAL 26 HB VAL 26 1.898 5.684 15.864 236 HG11 VAL 26 1HG1 VAL 26 2.122 4.716 18.735 237 HG12 VAL 26 2HG1 VAL 26 2.875 3.912 17.338 238 HG13 VAL 26 3HG1 VAL 26 3.354 5.562 17.782 239 HG21 VAL 26 3HG2 VAL 26 0.779 3.517 16.059 240 HG22 VAL 26 1HG2 VAL 26 -0.099 4.054 17.503 241 HG23 VAL 26 2HG2 VAL 26 -0.439 4.801 15.925 242 H LYS 27 H LYS 27 1.816 8.229 15.654 243 HA LYS 27 HA LYS 27 -0.638 9.571 14.866 244 HB2 LYS 27 1HB LYS 27 1.549 10.666 14.939 245 HB3 LYS 27 2HB LYS 27 2.187 9.519 13.774 246 HG2 LYS 27 1HG LYS 27 0.929 10.460 11.992 247 HG3 LYS 27 2HG LYS 27 -0.042 11.453 13.112 248 HD2 LYS 27 1HD LYS 27 1.735 12.901 13.587 249 HD3 LYS 27 2HD LYS 27 2.958 11.693 13.168 250 HE2 LYS 27 1HE LYS 27 1.478 12.215 10.793 251 HE3 LYS 27 2HE LYS 27 1.886 13.785 11.526 252 HZ1 LYS 27 3HZ LYS 27 4.190 13.064 11.650 253 HZ2 LYS 27 1HZ LYS 27 3.672 12.928 10.089 254 HZ3 LYS 27 2HZ LYS 27 3.823 11.577 11.033 255 H PHE 28 H PHE 28 -1.883 9.204 13.104 256 HA PHE 28 HA PHE 28 -2.116 6.630 11.990 257 HB2 PHE 28 1HB PHE 28 -3.441 9.120 11.898 258 HB3 PHE 28 2HB PHE 28 -2.997 8.828 10.217 259 HD1 PHE 28 HD2 PHE 28 -3.444 6.189 9.523 260 HD2 PHE 28 HD1 PHE 28 -5.555 8.484 12.480 261 HE1 PHE 28 HE2 PHE 28 -5.423 4.696 9.262 262 HE2 PHE 28 HE1 PHE 28 -7.529 7.025 12.216 263 HZ PHE 28 HZ PHE 28 -7.478 5.133 10.601 264 H ALA 29 H ALA 29 -0.646 9.518 10.436 265 HA ALA 29 HA ALA 29 -0.036 8.205 7.999 266 HB1 ALA 29 3HB ALA 29 1.475 10.484 9.355 267 HB2 ALA 29 1HB ALA 29 1.527 10.060 7.630 268 HB3 ALA 29 2HB ALA 29 0.019 10.682 8.340 269 H ASP 30 H ASP 30 1.645 8.360 11.103 270 HA ASP 30 HA ASP 30 4.113 7.300 10.055 271 HB2 ASP 30 1HB ASP 30 3.099 7.524 12.913 272 HB3 ASP 30 2HB ASP 30 4.749 7.094 12.446 273 H LEU 31 H LEU 31 1.180 5.941 11.589 274 HA LEU 31 HA LEU 31 2.294 3.314 11.878 275 HB2 LEU 31 1HB LEU 31 -0.059 4.482 12.660 276 HB3 LEU 31 2HB LEU 31 -0.597 3.405 11.355 277 HG LEU 31 HG LEU 31 1.079 2.599 13.784 278 HD11 LEU 31 1HD1 LEU 31 -1.254 3.155 14.323 279 HD12 LEU 31 2HD1 LEU 31 -0.877 1.442 14.581 280 HD13 LEU 31 3HD1 LEU 31 -1.798 1.940 13.143 281 HD21 LEU 31 3HD2 LEU 31 -0.118 0.890 11.584 282 HD22 LEU 31 1HD2 LEU 31 0.587 0.259 13.090 283 HD23 LEU 31 2HD2 LEU 31 1.609 1.121 11.928 284 H LEU 32 H LEU 32 0.195 4.832 9.458 285 HA LEU 32 HA LEU 32 0.191 2.719 7.559 286 HB2 LEU 32 1HB LEU 32 -0.204 5.664 7.505 287 HB3 LEU 32 2HB LEU 32 0.163 4.907 5.960 288 HG LEU 32 HG LEU 32 -2.251 5.186 6.409 289 HD11 LEU 32 1HD1 LEU 32 -1.386 3.456 4.870 290 HD12 LEU 32 2HD1 LEU 32 -2.921 2.999 5.628 291 HD13 LEU 32 3HD1 LEU 32 -1.397 2.289 6.198 292 HD21 LEU 32 3HD2 LEU 32 -3.417 3.878 7.874 293 HD22 LEU 32 1HD2 LEU 32 -2.130 4.708 8.803 294 HD23 LEU 32 2HD2 LEU 32 -1.956 2.991 8.379 295 H LYS 33 H LYS 33 2.721 5.042 8.238 296 HA LYS 33 HA LYS 33 4.198 4.647 5.792 297 HB2 LYS 33 1HB LYS 33 4.800 6.445 7.345 298 HB3 LYS 33 2HB LYS 33 5.253 5.260 8.579 299 HG2 LYS 33 1HG LYS 33 7.073 4.437 7.256 300 HG3 LYS 33 2HG LYS 33 6.570 5.415 5.864 301 HD2 LYS 33 1HD LYS 33 7.116 7.461 7.054 302 HD3 LYS 33 2HD LYS 33 7.482 6.543 8.532 303 HE2 LYS 33 1HE LYS 33 9.557 7.142 7.327 304 HE3 LYS 33 2HE LYS 33 9.327 5.383 7.397 305 HZ1 LYS 33 3HZ LYS 33 8.495 5.454 5.121 306 HZ2 LYS 33 1HZ LYS 33 10.013 6.096 5.189 307 HZ3 LYS 33 2HZ LYS 33 8.703 7.089 5.047 308 H PHE 34 H PHE 34 4.115 2.808 8.856 309 HA PHE 34 HA PHE 34 6.161 0.985 7.870 310 HB2 PHE 34 1HB PHE 34 4.432 1.027 10.320 311 HB3 PHE 34 2HB PHE 34 5.416 -0.382 9.893 312 HD1 PHE 34 HD1 PHE 34 5.550 3.193 10.845 313 HD2 PHE 34 HD2 PHE 34 7.831 -0.350 10.023 314 HE1 PHE 34 HE1 PHE 34 7.577 4.318 11.725 315 HE2 PHE 34 HE2 PHE 34 9.879 0.765 10.901 316 HZ PHE 34 HZ PHE 34 9.753 3.114 11.734 317 H PHE 35 H PHE 35 2.673 1.186 7.598 318 HA PHE 35 HA PHE 35 2.252 -1.554 6.745 319 HB2 PHE 35 1HB PHE 35 0.797 1.036 6.092 320 HB3 PHE 35 2HB PHE 35 0.346 -0.501 5.385 321 HD1 PHE 35 HD1 PHE 35 1.510 -0.826 8.843 322 HD2 PHE 35 HD2 PHE 35 -1.914 0.074 6.383 323 HE1 PHE 35 HE1 PHE 35 0.006 -1.314 10.717 324 HE2 PHE 35 HE2 PHE 35 -3.411 -0.431 8.310 325 HZ PHE 35 HZ PHE 35 -2.416 -1.153 10.490 326 H ASP 36 H ASP 36 3.766 1.266 5.290 327 HA ASP 36 HA ASP 36 3.686 0.089 2.602 328 HB2 ASP 36 1HB ASP 36 3.832 2.644 3.464 329 HB3 ASP 36 2HB ASP 36 5.561 2.312 3.261 330 H PHE 37 H PHE 37 5.933 0.413 5.303 331 HA PHE 37 HA PHE 37 8.295 -0.396 3.964 332 HB2 PHE 37 1HB PHE 37 8.127 0.684 6.209 333 HB3 PHE 37 2HB PHE 37 7.541 -0.844 6.875 334 HD1 PHE 37 HD1 PHE 37 10.433 0.566 4.919 335 HD2 PHE 37 HD2 PHE 37 9.087 -2.363 7.770 336 HE1 PHE 37 HE1 PHE 37 12.790 -0.161 5.281 337 HE2 PHE 37 HE2 PHE 37 11.439 -3.095 8.137 338 HZ PHE 37 HZ PHE 37 13.296 -1.991 6.890 339 H VAL 38 H VAL 38 5.691 -2.383 5.403 340 HA VAL 38 HA VAL 38 7.187 -4.845 5.213 341 HB VAL 38 HB VAL 38 5.358 -5.216 6.580 342 HG11 VAL 38 1HG1 VAL 38 4.218 -3.139 6.321 343 HG12 VAL 38 2HG1 VAL 38 3.662 -3.580 4.691 344 HG13 VAL 38 3HG1 VAL 38 3.047 -4.436 6.115 345 HG21 VAL 38 3HG2 VAL 38 4.051 -5.965 3.935 346 HG22 VAL 38 1HG2 VAL 38 5.345 -6.913 4.707 347 HG23 VAL 38 2HG2 VAL 38 3.788 -6.704 5.528 348 H LYS 39 H LYS 39 5.103 -3.052 2.926 349 HA LYS 39 HA LYS 39 5.132 -5.084 0.882 350 HB2 LYS 39 1HB LYS 39 3.463 -3.452 0.700 351 HB3 LYS 39 2HB LYS 39 4.562 -2.131 0.994 352 HG2 LYS 39 1HG LYS 39 4.909 -3.724 -1.546 353 HG3 LYS 39 2HG LYS 39 3.537 -2.621 -1.427 354 HD2 LYS 39 1HD LYS 39 6.457 -1.788 -1.077 355 HD3 LYS 39 2HD LYS 39 5.511 -1.569 -2.549 356 HE2 LYS 39 1HE LYS 39 3.969 -0.063 -1.375 357 HE3 LYS 39 2HE LYS 39 4.814 -0.350 0.150 358 HZ1 LYS 39 3HZ LYS 39 6.811 0.638 -0.894 359 HZ2 LYS 39 1HZ LYS 39 5.551 1.696 -0.689 360 HZ3 LYS 39 2HZ LYS 39 5.876 1.086 -2.187 361 H ASP 40 H ASP 40 7.291 -2.355 1.676 362 HA ASP 40 HA ASP 40 8.909 -2.538 -0.666 363 HB2 ASP 40 1HB ASP 40 9.588 -1.607 2.151 364 HB3 ASP 40 2HB ASP 40 10.653 -1.404 0.755 365 H THR 41 H THR 41 9.097 -4.225 2.463 366 HA THR 41 HA THR 41 11.653 -5.474 1.709 367 HB THR 41 HB THR 41 9.943 -6.152 4.137 368 HG1 THR 41 HG1 THR 41 10.242 -3.886 4.060 369 HG21 THR 41 1HG2 THR 41 11.949 -7.575 3.701 370 HG22 THR 41 2HG2 THR 41 12.143 -6.596 5.163 371 HG23 THR 41 3HG2 THR 41 12.960 -6.114 3.664 372 H CYS 42 H CYS 42 8.235 -6.296 1.748 373 HA CYS 42 HA CYS 42 8.918 -9.064 0.821 374 HB2 CYS 42 1HB CYS 42 6.545 -8.106 2.459 375 HB3 CYS 42 2HB CYS 42 6.755 -9.743 1.826 376 HG CYS 42 HG CYS 42 8.735 -8.107 3.868 377 HA PRO 43 HA PRO 43 6.454 -6.853 -2.397 378 HB2 PRO 43 1HB PRO 43 7.733 -7.807 -4.612 379 HB3 PRO 43 2HB PRO 43 8.381 -6.440 -3.648 380 HG2 PRO 43 1HG PRO 43 9.114 -9.363 -3.501 381 HG3 PRO 43 2HG PRO 43 10.193 -7.940 -3.659 382 HD2 PRO 43 1HD PRO 43 9.698 -9.106 -1.260 383 HD3 PRO 43 2HD PRO 43 9.891 -7.318 -1.417 384 H TRP 44 H TRP 44 7.291 -10.157 -1.776 385 HA TRP 44 HA TRP 44 5.315 -11.315 -3.575 386 HB2 TRP 44 1HB TRP 44 5.879 -13.348 -2.002 387 HB3 TRP 44 2HB TRP 44 7.038 -12.783 -3.216 388 HD1 TRP 44 HD1 TRP 44 6.340 -11.996 0.524 389 HE1 TRP 44 HE1 TRP 44 8.547 -11.664 1.767 390 HE3 TRP 44 HE3 TRP 44 9.457 -12.569 -3.474 391 HZ2 TRP 44 HZ2 TRP 44 11.316 -11.623 1.092 392 HZ3 TRP 44 HZ3 TRP 44 11.924 -12.352 -3.113 393 HH2 TRP 44 HH2 TRP 44 12.832 -11.880 -0.838 394 H PHE 45 H PHE 45 5.185 -9.854 -0.428 395 HA PHE 45 HA PHE 45 3.073 -11.550 0.584 396 HB2 PHE 45 1HB PHE 45 4.496 -10.320 2.105 397 HB3 PHE 45 2HB PHE 45 3.985 -8.781 1.407 398 HD1 PHE 45 HD2 PHE 45 1.818 -11.734 2.340 399 HD2 PHE 45 HD1 PHE 45 2.952 -7.667 3.155 400 HE1 PHE 45 HE2 PHE 45 -0.052 -11.526 3.964 401 HE2 PHE 45 HE1 PHE 45 1.122 -7.490 4.817 402 HZ PHE 45 HZ PHE 45 -0.387 -9.415 5.227 403 HA PRO 46 HA PRO 46 -0.004 -8.359 -0.761 404 HB2 PRO 46 1HB PRO 46 0.473 -6.595 -2.791 405 HB3 PRO 46 2HB PRO 46 0.796 -6.191 -1.073 406 HG2 PRO 46 1HG PRO 46 2.705 -7.200 -3.160 407 HG3 PRO 46 2HG PRO 46 2.856 -5.772 -2.083 408 HD2 PRO 46 1HD PRO 46 4.026 -8.106 -1.468 409 HD3 PRO 46 2HD PRO 46 3.266 -7.098 -0.193 410 H GLN 47 H GLN 47 2.358 -9.719 -2.955 411 HA GLN 47 HA GLN 47 0.684 -10.199 -5.213 412 HB2 GLN 47 1HB GLN 47 3.321 -10.522 -4.634 413 HB3 GLN 47 2HB GLN 47 2.773 -12.192 -4.487 414 HG2 GLN 47 1HG GLN 47 3.338 -12.166 -6.696 415 HG3 GLN 47 2HG GLN 47 1.639 -11.684 -6.830 416 HE21 GLN 47 2HE2 GLN 47 4.937 -10.358 -6.513 417 HE22 GLN 47 1HE2 GLN 47 4.641 -8.945 -7.491 418 H GLU 48 H GLU 48 1.123 -11.940 -2.135 419 HA GLU 48 HA GLU 48 -0.281 -14.329 -3.020 420 HB2 GLU 48 1HB GLU 48 0.434 -13.226 -0.279 421 HB3 GLU 48 2HB GLU 48 -0.484 -14.719 -0.500 422 HG2 GLU 48 1HG GLU 48 1.390 -15.645 -1.850 423 HG3 GLU 48 2HG GLU 48 2.337 -14.201 -1.484 424 H GLY 49 H GLY 49 -1.246 -11.161 -1.962 425 HA2 GLY 49 1HA GLY 49 -3.316 -10.228 -1.633 426 HA3 GLY 49 2HA GLY 49 -3.935 -11.531 -2.653 427 H THR 50 H THR 50 -2.363 -12.292 0.382 428 HA THR 50 HA THR 50 -5.035 -12.996 1.530 429 HB THR 50 HB THR 50 -2.464 -14.643 1.695 430 HG1 THR 50 HG1 THR 50 -3.577 -14.598 -0.406 431 HG21 THR 50 1HG2 THR 50 -4.041 -16.404 2.547 432 HG22 THR 50 2HG2 THR 50 -5.320 -15.170 2.616 433 HG23 THR 50 3HG2 THR 50 -3.871 -15.016 3.644 434 H ILE 51 H ILE 51 -5.378 -12.143 3.502 435 HA ILE 51 HA ILE 51 -2.937 -11.302 5.038 436 HB ILE 51 HB ILE 51 -5.766 -10.255 5.314 437 HG12 ILE 51 1HG1 ILE 51 -4.750 -9.548 3.197 438 HG13 ILE 51 2HG1 ILE 51 -5.021 -8.258 4.326 439 HG21 ILE 51 1HG2 ILE 51 -4.635 -8.481 6.747 440 HG22 ILE 51 2HG2 ILE 51 -4.561 -10.104 7.456 441 HG23 ILE 51 3HG2 ILE 51 -3.126 -9.422 6.659 442 HD11 ILE 51 3HD1 ILE 51 -2.339 -9.486 3.776 443 HD12 ILE 51 1HD1 ILE 51 -2.964 -7.979 3.080 444 HD13 ILE 51 2HD1 ILE 51 -2.677 -8.078 4.824 445 H ASP 52 H ASP 52 -2.439 -12.657 6.447 446 HA ASP 52 HA ASP 52 -4.331 -13.398 8.543 447 HB2 ASP 52 1HB ASP 52 -4.645 -15.274 6.887 448 HB3 ASP 52 2HB ASP 52 -2.911 -15.615 7.036 449 H ILE 53 H ILE 53 -3.126 -14.446 10.339 450 HA ILE 53 HA ILE 53 -0.677 -13.040 10.705 451 HB ILE 53 HB ILE 53 -2.314 -13.747 12.500 452 HG12 ILE 53 1HG1 ILE 53 -0.511 -14.263 14.178 453 HG13 ILE 53 2HG1 ILE 53 0.618 -14.438 12.844 454 HG21 ILE 53 1HG2 ILE 53 -2.551 -16.152 11.810 455 HG22 ILE 53 2HG2 ILE 53 -0.868 -16.433 12.342 456 HG23 ILE 53 3HG2 ILE 53 -2.112 -15.956 13.522 457 HD11 ILE 53 3HD1 ILE 53 0.711 -12.259 14.031 458 HD12 ILE 53 1HD1 ILE 53 0.446 -12.128 12.285 459 HD13 ILE 53 2HD1 ILE 53 -0.911 -11.909 13.406 460 H LYS 54 H LYS 54 -1.418 -16.278 9.492 461 HA LYS 54 HA LYS 54 1.228 -17.356 9.839 462 HB2 LYS 54 1HB LYS 54 -0.878 -17.957 7.720 463 HB3 LYS 54 2HB LYS 54 0.557 -18.944 8.033 464 HG2 LYS 54 1HG LYS 54 -0.261 -19.479 10.283 465 HG3 LYS 54 2HG LYS 54 -1.644 -18.400 10.057 466 HD2 LYS 54 1HD LYS 54 -2.202 -19.858 7.981 467 HD3 LYS 54 2HD LYS 54 -1.069 -21.032 8.681 468 HE2 LYS 54 1HE LYS 54 -3.182 -21.699 9.509 469 HE3 LYS 54 2HE LYS 54 -2.468 -20.784 10.854 470 HZ1 LYS 54 3HZ LYS 54 -4.564 -19.893 8.960 471 HZ2 LYS 54 1HZ LYS 54 -3.728 -18.807 9.871 472 HZ3 LYS 54 2HZ LYS 54 -4.655 -19.970 10.605 473 H ARG 55 H ARG 55 -0.248 -15.294 7.351 474 HA ARG 55 HA ARG 55 2.096 -15.440 5.594 475 HB2 ARG 55 1HB ARG 55 -0.577 -14.220 5.566 476 HB3 ARG 55 2HB ARG 55 0.677 -13.106 5.020 477 HG2 ARG 55 1HG ARG 55 -0.092 -14.191 3.062 478 HG3 ARG 55 2HG ARG 55 1.474 -14.923 3.451 479 HD2 ARG 55 1HD ARG 55 0.010 -16.675 4.763 480 HD3 ARG 55 2HD ARG 55 -1.290 -16.091 3.707 481 HE ARG 55 HE ARG 55 0.860 -16.586 1.998 482 HH11 ARG 55 1HH1 ARG 55 -0.977 -18.591 4.269 483 HH12 ARG 55 2HH1 ARG 55 -0.666 -20.044 3.359 484 HH21 ARG 55 1HH2 ARG 55 1.195 -18.421 0.917 485 HH22 ARG 55 2HH2 ARG 55 0.550 -19.956 1.479 486 H TRP 56 H TRP 56 0.793 -13.287 8.097 487 HA TRP 56 HA TRP 56 2.696 -11.202 7.807 488 HB2 TRP 56 1HB TRP 56 0.516 -11.240 9.108 489 HB3 TRP 56 2HB TRP 56 1.393 -12.090 10.385 490 HD1 TRP 56 HD1 TRP 56 2.423 -10.531 12.164 491 HE1 TRP 56 HE1 TRP 56 3.078 -8.081 12.387 492 HE3 TRP 56 HE3 TRP 56 1.386 -9.104 7.362 493 HZ2 TRP 56 HZ2 TRP 56 3.211 -5.804 10.674 494 HZ3 TRP 56 HZ3 TRP 56 1.789 -6.717 6.713 495 HH2 TRP 56 HH2 TRP 56 2.711 -5.096 8.364 496 H ARG 57 H ARG 57 2.992 -14.370 9.352 497 HA ARG 57 HA ARG 57 5.244 -13.872 11.027 498 HB2 ARG 57 1HB ARG 57 4.996 -16.353 9.289 499 HB3 ARG 57 2HB ARG 57 5.867 -16.186 10.806 500 HG2 ARG 57 1HG ARG 57 2.884 -16.315 10.400 501 HG3 ARG 57 2HG ARG 57 3.908 -17.522 11.151 502 HD2 ARG 57 1HD ARG 57 4.416 -15.792 12.922 503 HD3 ARG 57 2HD ARG 57 3.114 -14.808 12.233 504 HE ARG 57 HE ARG 57 2.174 -17.458 12.748 505 HH11 ARG 57 1HH1 ARG 57 3.008 -14.519 14.512 506 HH12 ARG 57 2HH1 ARG 57 1.851 -14.849 15.780 507 HH21 ARG 57 1HH2 ARG 57 0.731 -17.804 14.431 508 HH22 ARG 57 2HH2 ARG 57 0.571 -16.635 15.718 509 H ARG 58 H ARG 58 5.086 -14.682 7.571 510 HA ARG 58 HA ARG 58 7.818 -14.864 6.974 511 HB2 ARG 58 1HB ARG 58 5.648 -13.637 5.234 512 HB3 ARG 58 2HB ARG 58 7.231 -14.175 4.685 513 HG2 ARG 58 1HG ARG 58 6.646 -16.500 5.357 514 HG3 ARG 58 2HG ARG 58 5.020 -15.927 5.799 515 HD2 ARG 58 1HD ARG 58 4.926 -16.823 3.557 516 HD3 ARG 58 2HD ARG 58 4.742 -15.061 3.461 517 HE ARG 58 HE ARG 58 7.497 -15.947 3.177 518 HH11 ARG 58 1HH1 ARG 58 4.509 -15.355 1.331 519 HH12 ARG 58 2HH1 ARG 58 5.394 -15.190 -0.160 520 HH21 ARG 58 1HH2 ARG 58 8.513 -15.700 1.229 521 HH22 ARG 58 2HH2 ARG 58 7.602 -15.364 -0.217 522 H VAL 59 H VAL 59 5.849 -11.971 7.403 523 HA VAL 59 HA VAL 59 7.683 -10.165 6.143 524 HB VAL 59 HB VAL 59 5.601 -9.630 8.302 525 HG11 VAL 59 1HG1 VAL 59 6.900 -7.775 6.292 526 HG12 VAL 59 2HG1 VAL 59 5.578 -7.351 7.412 527 HG13 VAL 59 3HG1 VAL 59 7.169 -7.789 8.047 528 HG21 VAL 59 3HG2 VAL 59 4.130 -9.019 6.394 529 HG22 VAL 59 1HG2 VAL 59 5.376 -9.630 5.277 530 HG23 VAL 59 2HG2 VAL 59 4.566 -10.734 6.415 531 H GLY 60 H GLY 60 7.224 -11.322 9.472 532 HA2 GLY 60 1HA GLY 60 9.157 -9.490 10.585 533 HA3 GLY 60 2HA GLY 60 8.465 -10.930 11.362 534 H ASP 61 H ASP 61 9.187 -12.827 9.378 535 HA ASP 61 HA ASP 61 11.848 -13.494 10.135 536 HB2 ASP 61 1HB ASP 61 10.318 -14.343 7.633 537 HB3 ASP 61 2HB ASP 61 11.722 -15.168 8.320 538 H CYS 62 H CYS 62 10.459 -11.887 7.281 539 HA CYS 62 HA CYS 62 12.858 -11.586 5.787 540 HB2 CYS 62 1HB CYS 62 10.200 -11.036 5.408 541 HB3 CYS 62 2HB CYS 62 10.848 -9.412 5.610 542 HG CYS 62 HG CYS 62 10.657 -9.694 3.137 543 H PHE 63 H PHE 63 11.274 -9.365 8.160 544 HA PHE 63 HA PHE 63 13.178 -7.251 7.781 545 HB2 PHE 63 1HB PHE 63 11.654 -8.020 10.297 546 HB3 PHE 63 2HB PHE 63 12.562 -6.530 10.089 547 HD1 PHE 63 HD1 PHE 63 11.663 -6.000 7.127 548 HD2 PHE 63 HD2 PHE 63 9.534 -6.965 10.744 549 HE1 PHE 63 HE1 PHE 63 9.655 -4.824 6.257 550 HE2 PHE 63 HE2 PHE 63 7.532 -5.764 9.879 551 HZ PHE 63 HZ PHE 63 7.588 -4.696 7.633 552 H GLN 64 H GLN 64 13.127 -10.133 9.912 553 HA GLN 64 HA GLN 64 15.390 -9.281 11.434 554 HB2 GLN 64 1HB GLN 64 13.720 -11.053 12.086 555 HB3 GLN 64 2HB GLN 64 14.504 -12.139 10.931 556 HG2 GLN 64 1HG GLN 64 15.338 -12.563 13.184 557 HG3 GLN 64 2HG GLN 64 16.635 -11.908 12.175 558 HE21 GLN 64 2HE2 GLN 64 17.849 -10.381 13.103 559 HE22 GLN 64 1HE2 GLN 64 17.301 -9.305 14.371 560 H ASP 65 H ASP 65 15.121 -11.403 8.543 561 HA ASP 65 HA ASP 65 17.905 -12.070 8.525 562 HB2 ASP 65 1HB ASP 65 15.958 -13.134 7.279 563 HB3 ASP 65 2HB ASP 65 16.113 -11.837 6.096 564 H TYR 66 H TYR 66 16.024 -9.518 6.895 565 HA TYR 66 HA TYR 66 18.232 -8.428 5.442 566 HB2 TYR 66 1HB TYR 66 15.624 -8.037 5.320 567 HB3 TYR 66 2HB TYR 66 15.962 -6.724 6.445 568 HD1 TYR 66 HD1 TYR 66 17.973 -5.097 5.646 569 HD2 TYR 66 HD2 TYR 66 15.727 -7.671 3.032 570 HE1 TYR 66 HE1 TYR 66 18.666 -3.736 3.690 571 HE2 TYR 66 HE2 TYR 66 16.409 -6.278 1.082 572 HH TYR 66 HH TYR 66 17.709 -4.564 0.353 573 H PHE 67 H PHE 67 16.939 -7.906 8.733 574 HA PHE 67 HA PHE 67 18.674 -5.657 9.342 575 HB2 PHE 67 1HB PHE 67 16.623 -6.221 10.610 576 HB3 PHE 67 2HB PHE 67 17.397 -7.697 11.198 577 HD1 PHE 67 HD2 PHE 67 19.240 -7.587 12.849 578 HD2 PHE 67 HD1 PHE 67 17.173 -4.054 11.526 579 HE1 PHE 67 HE2 PHE 67 20.175 -6.321 14.779 580 HE2 PHE 67 HE1 PHE 67 18.073 -2.791 13.458 581 HZ PHE 67 HZ PHE 67 19.594 -3.914 15.088 582 H ASN 68 H ASN 68 19.012 -9.208 9.714 583 HA ASN 68 HA ASN 68 21.423 -9.102 11.260 584 HB2 ASN 68 1HB ASN 68 20.430 -11.212 9.287 585 HB3 ASN 68 2HB ASN 68 21.796 -11.430 10.386 586 HD21 ASN 68 2HD2 ASN 68 19.444 -13.017 10.242 587 HD22 ASN 68 1HD2 ASN 68 18.656 -12.893 11.797 588 H THR 69 H THR 69 20.754 -9.021 7.789 589 HA THR 69 HA THR 69 23.553 -9.339 7.076 590 HB THR 69 HB THR 69 21.202 -8.491 5.323 591 HG1 THR 69 HG1 THR 69 20.667 -10.448 6.225 592 HG21 THR 69 1HG2 THR 69 22.540 -9.606 3.541 593 HG22 THR 69 2HG2 THR 69 23.867 -9.830 4.702 594 HG23 THR 69 3HG2 THR 69 23.371 -8.189 4.216 595 H PHE 70 H PHE 70 21.257 -6.567 7.130 596 HA PHE 70 HA PHE 70 23.541 -4.846 6.247 597 HB2 PHE 70 1HB PHE 70 20.562 -4.454 5.909 598 HB3 PHE 70 2HB PHE 70 21.825 -3.339 5.368 599 HD1 PHE 70 HD2 PHE 70 23.400 -3.980 3.555 600 HD2 PHE 70 HD1 PHE 70 20.054 -6.454 4.632 601 HE1 PHE 70 HE2 PHE 70 23.596 -5.186 1.383 602 HE2 PHE 70 HE1 PHE 70 20.230 -7.657 2.466 603 HZ PHE 70 HZ PHE 70 22.004 -7.027 0.831 604 H GLY 71 H GLY 71 21.902 -5.494 9.086 605 HA2 GLY 71 1HA GLY 71 22.198 -4.415 11.086 606 HA3 GLY 71 2HA GLY 71 23.095 -3.149 10.252 607 HA PRO 72 HA PRO 72 19.032 -1.571 11.918 608 HB2 PRO 72 1HB PRO 72 20.007 0.390 13.540 609 HB3 PRO 72 2HB PRO 72 19.904 -1.324 14.058 610 HG2 PRO 72 1HG PRO 72 22.255 0.153 12.909 611 HG3 PRO 72 2HG PRO 72 22.161 -0.821 14.411 612 HD2 PRO 72 1HD PRO 72 23.110 -1.876 12.127 613 HD3 PRO 72 2HD PRO 72 22.066 -2.848 13.224 614 H GLU 73 H GLU 73 21.752 -0.172 10.300 615 HA GLU 73 HA GLU 73 20.616 2.435 9.826 616 HB2 GLU 73 1HB GLU 73 22.701 0.930 8.200 617 HB3 GLU 73 2HB GLU 73 22.419 2.675 8.214 618 HG2 GLU 73 1HG GLU 73 23.515 0.960 10.470 619 HG3 GLU 73 2HG GLU 73 24.387 2.180 9.532 620 H LYS 74 H LYS 74 20.113 -0.722 8.491 621 HA LYS 74 HA LYS 74 18.831 0.474 6.081 622 HB2 LYS 74 1HB LYS 74 20.532 -1.740 6.452 623 HB3 LYS 74 2HB LYS 74 18.946 -2.407 6.047 624 HG2 LYS 74 1HG LYS 74 20.436 -0.302 4.428 625 HG3 LYS 74 2HG LYS 74 20.367 -2.034 4.057 626 HD2 LYS 74 1HD LYS 74 17.824 -1.788 4.019 627 HD3 LYS 74 2HD LYS 74 18.086 -0.035 4.016 628 HE2 LYS 74 1HE LYS 74 19.372 -0.190 1.954 629 HE3 LYS 74 2HE LYS 74 19.289 -1.967 2.001 630 HZ1 LYS 74 3HZ LYS 74 16.916 -1.842 1.758 631 HZ2 LYS 74 1HZ LYS 74 17.620 -1.006 0.523 632 HZ3 LYS 74 2HZ LYS 74 16.932 -0.191 1.784 633 H VAL 75 H VAL 75 18.176 -1.694 8.853 634 HA VAL 75 HA VAL 75 15.269 -1.242 8.236 635 HB VAL 75 HB VAL 75 16.569 -3.728 9.484 636 HG11 VAL 75 1HG1 VAL 75 14.265 -4.678 9.526 637 HG12 VAL 75 2HG1 VAL 75 14.431 -3.271 10.590 638 HG13 VAL 75 3HG1 VAL 75 13.621 -3.102 9.014 639 HG21 VAL 75 3HG2 VAL 75 15.578 -4.923 7.538 640 HG22 VAL 75 1HG2 VAL 75 15.114 -3.355 6.840 641 HG23 VAL 75 2HG2 VAL 75 16.830 -3.756 7.080 642 HA PRO 76 HA PRO 76 16.080 0.446 12.239 643 HB2 PRO 76 1HB PRO 76 13.664 1.445 12.961 644 HB3 PRO 76 2HB PRO 76 14.640 2.190 11.670 645 HG2 PRO 76 1HG PRO 76 12.332 0.307 11.430 646 HG3 PRO 76 2HG PRO 76 12.636 1.832 10.551 647 HD2 PRO 76 1HD PRO 76 13.211 -0.642 9.510 648 HD3 PRO 76 2HD PRO 76 14.157 0.832 9.104 649 H VAL 77 H VAL 77 15.809 -0.166 14.453 650 HA VAL 77 HA VAL 77 14.778 -2.796 14.904 651 HB VAL 77 HB VAL 77 15.133 -2.306 17.322 652 HG11 VAL 77 1HG1 VAL 77 17.565 -2.014 17.195 653 HG12 VAL 77 2HG1 VAL 77 17.003 -3.070 15.884 654 HG13 VAL 77 3HG1 VAL 77 17.430 -1.376 15.541 655 HG21 VAL 77 3HG2 VAL 77 14.479 0.092 17.346 656 HG22 VAL 77 1HG2 VAL 77 16.098 -0.146 18.026 657 HG23 VAL 77 2HG2 VAL 77 15.923 0.497 16.382 658 H THR 78 H THR 78 13.241 0.329 14.864 659 HA THR 78 HA THR 78 11.003 -0.475 16.515 660 HB THR 78 HB THR 78 11.757 1.936 15.971 661 HG1 THR 78 HG1 THR 78 9.618 2.617 16.306 662 HG21 THR 78 1HG2 THR 78 9.814 1.608 13.704 663 HG22 THR 78 2HG2 THR 78 11.576 1.642 13.477 664 HG23 THR 78 3HG2 THR 78 10.744 3.052 14.153 665 H ALA 79 H ALA 79 11.914 -1.137 13.215 666 HA ALA 79 HA ALA 79 9.274 -1.386 12.128 667 HB1 ALA 79 3HB ALA 79 11.829 -2.911 11.493 668 HB2 ALA 79 1HB ALA 79 10.348 -2.934 10.506 669 HB3 ALA 79 2HB ALA 79 11.256 -1.422 10.711 670 H PHE 80 H PHE 80 11.294 -3.530 14.122 671 HA PHE 80 HA PHE 80 9.522 -5.799 13.935 672 HB2 PHE 80 1HB PHE 80 11.550 -5.036 16.066 673 HB3 PHE 80 2HB PHE 80 10.802 -6.626 15.875 674 HD1 PHE 80 HD1 PHE 80 11.409 -8.092 14.001 675 HD2 PHE 80 HD2 PHE 80 13.313 -4.279 14.559 676 HE1 PHE 80 HE1 PHE 80 13.195 -8.756 12.428 677 HE2 PHE 80 HE2 PHE 80 15.102 -4.924 12.966 678 HZ PHE 80 HZ PHE 80 15.044 -7.174 11.893 679 H SER 81 H SER 81 9.719 -2.963 16.032 680 HA SER 81 HA SER 81 7.875 -3.950 18.037 681 HB2 SER 81 1HB SER 81 9.461 -2.075 18.455 682 HB3 SER 81 2HB SER 81 8.580 -1.083 17.274 683 HG SER 81 HG SER 81 7.557 -2.163 19.699 684 H TYR 82 H TYR 82 7.626 -1.856 15.155 685 HA TYR 82 HA TYR 82 4.802 -1.453 15.268 686 HB2 TYR 82 1HB TYR 82 6.970 -1.253 13.210 687 HB3 TYR 82 2HB TYR 82 5.308 -1.381 12.621 688 HD1 TYR 82 HD2 TYR 82 3.642 0.315 13.109 689 HD2 TYR 82 HD1 TYR 82 7.709 0.799 14.442 690 HE1 TYR 82 HE2 TYR 82 3.229 2.746 13.551 691 HE2 TYR 82 HE1 TYR 82 7.278 3.217 14.864 692 HH TYR 82 HH TYR 82 4.115 4.734 14.183 693 H TRP 83 H TRP 83 6.826 -3.955 13.686 694 HA TRP 83 HA TRP 83 4.747 -5.293 12.354 695 HB2 TRP 83 1HB TRP 83 7.156 -5.739 12.024 696 HB3 TRP 83 2HB TRP 83 7.274 -6.385 13.653 697 HD1 TRP 83 HD1 TRP 83 5.810 -7.326 10.225 698 HE1 TRP 83 HE1 TRP 83 5.361 -9.832 10.132 699 HE3 TRP 83 HE3 TRP 83 6.905 -8.410 15.098 700 HZ2 TRP 83 HZ2 TRP 83 5.488 -12.029 11.930 701 HZ3 TRP 83 HZ3 TRP 83 6.745 -10.786 15.863 702 HH2 TRP 83 HH2 TRP 83 6.037 -12.579 14.275 703 H ASN 84 H ASN 84 5.832 -5.530 15.719 704 HA ASN 84 HA ASN 84 4.300 -7.875 16.369 705 HB2 ASN 84 1HB ASN 84 5.820 -5.804 17.871 706 HB3 ASN 84 2HB ASN 84 4.571 -6.679 18.767 707 HD21 ASN 84 2HD2 ASN 84 7.720 -6.813 17.419 708 HD22 ASN 84 1HD2 ASN 84 8.073 -8.463 17.885 709 H LEU 85 H LEU 85 3.597 -4.403 16.437 710 HA LEU 85 HA LEU 85 1.164 -4.509 17.927 711 HB2 LEU 85 1HB LEU 85 2.540 -2.509 17.351 712 HB3 LEU 85 2HB LEU 85 1.997 -2.622 15.694 713 HG LEU 85 HG LEU 85 0.079 -2.114 17.975 714 HD11 LEU 85 1HD1 LEU 85 1.869 -0.432 18.020 715 HD12 LEU 85 2HD1 LEU 85 0.356 0.289 17.434 716 HD13 LEU 85 3HD1 LEU 85 1.648 -0.121 16.281 717 HD21 LEU 85 3HD2 LEU 85 -1.227 -0.955 16.153 718 HD22 LEU 85 1HD2 LEU 85 -1.071 -2.698 15.906 719 HD23 LEU 85 2HD2 LEU 85 -0.056 -1.580 14.969 720 H ILE 86 H ILE 86 1.840 -4.891 14.424 721 HA ILE 86 HA ILE 86 -1.019 -5.225 13.866 722 HB ILE 86 HB ILE 86 1.428 -5.642 12.096 723 HG12 ILE 86 1HG1 ILE 86 0.112 -3.700 10.880 724 HG13 ILE 86 2HG1 ILE 86 -0.625 -3.446 12.460 725 HG21 ILE 86 1HG2 ILE 86 -0.271 -5.736 10.227 726 HG22 ILE 86 2HG2 ILE 86 -0.327 -7.131 11.312 727 HG23 ILE 86 3HG2 ILE 86 -1.555 -5.855 11.468 728 HD11 ILE 86 3HD1 ILE 86 2.372 -3.427 11.969 729 HD12 ILE 86 1HD1 ILE 86 1.341 -1.979 11.945 730 HD13 ILE 86 2HD1 ILE 86 1.507 -2.911 13.434 731 H LYS 87 H LYS 87 1.760 -7.294 14.613 732 HA LYS 87 HA LYS 87 0.609 -9.741 13.730 733 HB2 LYS 87 1HB LYS 87 2.730 -10.245 14.302 734 HB3 LYS 87 2HB LYS 87 2.835 -8.886 15.405 735 HG2 LYS 87 1HG LYS 87 1.712 -10.221 17.165 736 HG3 LYS 87 2HG LYS 87 1.694 -11.611 16.066 737 HD2 LYS 87 1HD LYS 87 4.086 -11.711 16.063 738 HD3 LYS 87 2HD LYS 87 4.201 -10.114 16.827 739 HE2 LYS 87 1HE LYS 87 2.972 -11.072 18.820 740 HE3 LYS 87 2HE LYS 87 3.184 -12.679 18.093 741 HZ1 LYS 87 3HZ LYS 87 4.949 -12.128 19.680 742 HZ2 LYS 87 1HZ LYS 87 5.378 -10.799 18.797 743 HZ3 LYS 87 2HZ LYS 87 5.582 -12.313 18.168 744 H GLU 88 H GLU 88 0.305 -8.040 16.924 745 HA GLU 88 HA GLU 88 -1.372 -10.156 17.956 746 HB2 GLU 88 1HB GLU 88 -1.932 -8.587 19.753 747 HB3 GLU 88 2HB GLU 88 -0.190 -8.673 19.460 748 HG2 GLU 88 1HG GLU 88 -0.329 -6.584 18.155 749 HG3 GLU 88 2HG GLU 88 -2.046 -6.457 18.559 750 H LEU 89 H LEU 89 -1.996 -7.295 15.983 751 HA LEU 89 HA LEU 89 -4.828 -7.279 16.380 752 HB2 LEU 89 1HB LEU 89 -2.991 -6.171 14.291 753 HB3 LEU 89 2HB LEU 89 -4.719 -6.156 14.031 754 HG LEU 89 HG LEU 89 -3.345 -4.849 16.395 755 HD11 LEU 89 1HD1 LEU 89 -4.413 -3.637 13.812 756 HD12 LEU 89 2HD1 LEU 89 -2.702 -3.780 14.279 757 HD13 LEU 89 3HD1 LEU 89 -3.786 -2.728 15.208 758 HD21 LEU 89 3HD2 LEU 89 -6.213 -4.688 15.367 759 HD22 LEU 89 1HD2 LEU 89 -5.531 -3.643 16.630 760 HD23 LEU 89 2HD2 LEU 89 -5.675 -5.388 16.909 761 H ILE 90 H ILE 90 -2.793 -8.844 13.847 762 HA ILE 90 HA ILE 90 -5.209 -9.889 12.577 763 HB ILE 90 HB ILE 90 -2.372 -10.901 12.099 764 HG12 ILE 90 1HG1 ILE 90 -3.785 -8.796 10.436 765 HG13 ILE 90 2HG1 ILE 90 -2.690 -8.357 11.745 766 HG21 ILE 90 1HG2 ILE 90 -4.173 -12.335 11.176 767 HG22 ILE 90 2HG2 ILE 90 -4.947 -10.925 10.426 768 HG23 ILE 90 3HG2 ILE 90 -3.368 -11.492 9.846 769 HD11 ILE 90 3HD1 ILE 90 -1.915 -10.018 9.294 770 HD12 ILE 90 1HD1 ILE 90 -1.486 -8.326 9.598 771 HD13 ILE 90 2HD1 ILE 90 -0.835 -9.605 10.646 772 H ASP 91 H ASP 91 -2.774 -11.116 14.899 773 HA ASP 91 HA ASP 91 -3.550 -13.872 14.719 774 HB2 ASP 91 1HB ASP 91 -1.484 -12.873 15.865 775 HB3 ASP 91 2HB ASP 91 -2.537 -12.481 17.229 776 H LYS 92 H LYS 92 -4.722 -11.112 16.652 777 HA LYS 92 HA LYS 92 -6.960 -12.850 17.551 778 HB2 LYS 92 1HB LYS 92 -5.818 -10.379 18.860 779 HB3 LYS 92 2HB LYS 92 -7.243 -11.260 19.422 780 HG2 LYS 92 1HG LYS 92 -4.422 -12.401 19.236 781 HG3 LYS 92 2HG LYS 92 -5.262 -11.924 20.725 782 HD2 LYS 92 1HD LYS 92 -7.010 -13.642 20.282 783 HD3 LYS 92 2HD LYS 92 -6.176 -14.104 18.795 784 HE2 LYS 92 1HE LYS 92 -4.164 -14.671 20.190 785 HE3 LYS 92 2HE LYS 92 -5.256 -14.548 21.608 786 HZ1 LYS 92 3HZ LYS 92 -6.790 -16.050 20.261 787 HZ2 LYS 92 1HZ LYS 92 -5.407 -16.780 20.815 788 HZ3 LYS 92 2HZ LYS 92 -5.526 -16.314 19.237 789 H LYS 93 H LYS 93 -6.998 -11.770 14.971 790 HA LYS 93 HA LYS 93 -8.891 -9.576 14.923 791 HB2 LYS 93 1HB LYS 93 -9.259 -10.172 12.619 792 HB3 LYS 93 2HB LYS 93 -7.535 -10.244 12.979 793 HG2 LYS 93 1HG LYS 93 -7.789 -12.742 13.262 794 HG3 LYS 93 2HG LYS 93 -9.435 -12.586 12.626 795 HD2 LYS 93 1HD LYS 93 -8.618 -11.687 10.540 796 HD3 LYS 93 2HD LYS 93 -6.974 -11.554 11.183 797 HE2 LYS 93 1HE LYS 93 -8.478 -14.142 10.719 798 HE3 LYS 93 2HE LYS 93 -7.206 -13.481 9.679 799 HZ1 LYS 93 3HZ LYS 93 -5.883 -13.545 11.925 800 HZ2 LYS 93 1HZ LYS 93 -6.009 -14.900 10.977 801 HZ3 LYS 93 2HZ LYS 93 -6.968 -14.719 12.315 802 H GLU 94 H GLU 94 -9.035 -12.872 15.783 803 HA GLU 94 HA GLU 94 -11.712 -13.584 15.204 804 HB2 GLU 94 1HB GLU 94 -11.349 -15.139 17.222 805 HB3 GLU 94 2HB GLU 94 -10.242 -15.305 15.852 806 HG2 GLU 94 1HG GLU 94 -8.521 -14.021 17.032 807 HG3 GLU 94 2HG GLU 94 -9.608 -13.753 18.396 808 H VAL 95 H VAL 95 -10.399 -11.563 17.806 809 HA VAL 95 HA VAL 95 -13.176 -11.345 18.912 810 HB VAL 95 HB VAL 95 -12.102 -10.716 21.078 811 HG11 VAL 95 1HG1 VAL 95 -11.167 -13.425 20.029 812 HG12 VAL 95 2HG1 VAL 95 -11.433 -12.974 21.726 813 HG13 VAL 95 3HG1 VAL 95 -12.809 -13.061 20.606 814 HG21 VAL 95 3HG2 VAL 95 -9.710 -11.114 21.446 815 HG22 VAL 95 1HG2 VAL 95 -9.490 -11.585 19.749 816 HG23 VAL 95 2HG2 VAL 95 -9.922 -9.909 20.165 817 H ASN 96 H ASN 96 -11.315 -9.848 16.829 818 HA ASN 96 HA ASN 96 -12.077 -7.110 17.797 819 HB2 ASN 96 1HB ASN 96 -9.534 -8.069 16.471 820 HB3 ASN 96 2HB ASN 96 -10.086 -6.398 16.292 821 HD21 ASN 96 2HD2 ASN 96 -8.581 -8.691 18.355 822 HD22 ASN 96 1HD2 ASN 96 -8.298 -7.587 19.687 823 HA PRO 97 HA PRO 97 -14.071 -8.287 13.843 824 HB2 PRO 97 1HB PRO 97 -16.383 -6.834 14.109 825 HB3 PRO 97 2HB PRO 97 -16.144 -8.442 14.866 826 HG2 PRO 97 1HG PRO 97 -15.760 -5.716 16.089 827 HG3 PRO 97 2HG PRO 97 -16.714 -7.105 16.706 828 HD2 PRO 97 1HD PRO 97 -14.221 -6.646 17.595 829 HD3 PRO 97 2HD PRO 97 -14.777 -8.327 17.269 830 H GLN 98 H GLN 98 -13.285 -5.155 15.230 831 HA GLN 98 HA GLN 98 -13.828 -3.555 12.904 832 HB2 GLN 98 1HB GLN 98 -11.756 -3.267 15.131 833 HB3 GLN 98 2HB GLN 98 -11.995 -2.077 13.854 834 HG2 GLN 98 1HG GLN 98 -13.119 -1.255 15.745 835 HG3 GLN 98 2HG GLN 98 -14.371 -1.810 14.626 836 HE21 GLN 98 2HE2 GLN 98 -15.866 -1.968 16.364 837 HE22 GLN 98 1HE2 GLN 98 -15.787 -3.299 17.495 838 H VAL 99 H VAL 99 -10.827 -5.135 14.157 839 HA VAL 99 HA VAL 99 -9.459 -4.337 11.778 840 HB VAL 99 HB VAL 99 -8.420 -4.834 14.086 841 HG11 VAL 99 1HG1 VAL 99 -7.616 -7.046 14.503 842 HG12 VAL 99 2HG1 VAL 99 -9.347 -7.205 14.147 843 HG13 VAL 99 3HG1 VAL 99 -8.152 -7.626 12.910 844 HG21 VAL 99 3HG2 VAL 99 -6.274 -5.285 13.045 845 HG22 VAL 99 1HG2 VAL 99 -7.060 -5.907 11.582 846 HG23 VAL 99 2HG2 VAL 99 -7.199 -4.187 12.015 847 H MET 100 H MET 100 -11.336 -7.190 12.645 848 HA MET 100 HA MET 100 -10.366 -8.899 10.576 849 HB2 MET 100 1HB MET 100 -12.224 -9.030 12.581 850 HB3 MET 100 2HB MET 100 -13.250 -8.982 11.168 851 HG2 MET 100 1HG MET 100 -11.134 -11.014 11.886 852 HG3 MET 100 2HG MET 100 -12.866 -11.283 11.735 853 HE1 MET 100 3HE MET 100 -13.730 -10.008 8.939 854 HE2 MET 100 1HE MET 100 -13.440 -11.399 7.871 855 HE3 MET 100 2HE MET 100 -14.150 -11.652 9.484 856 H ALA 101 H ALA 101 -12.812 -6.275 10.596 857 HA ALA 101 HA ALA 101 -13.651 -6.689 7.875 858 HB1 ALA 101 3HB ALA 101 -14.593 -4.436 8.052 859 HB2 ALA 101 1HB ALA 101 -14.919 -5.338 9.550 860 HB3 ALA 101 2HB ALA 101 -13.627 -4.114 9.512 861 H ALA 102 H ALA 102 -10.856 -5.092 9.352 862 HA ALA 102 HA ALA 102 -10.130 -3.679 6.901 863 HB1 ALA 102 3HB ALA 102 -8.537 -4.203 9.442 864 HB2 ALA 102 1HB ALA 102 -8.105 -3.074 8.143 865 HB3 ALA 102 2HB ALA 102 -9.552 -2.778 9.130 866 H VAL 103 H VAL 103 -9.428 -6.769 8.475 867 HA VAL 103 HA VAL 103 -7.117 -7.529 6.940 868 HB VAL 103 HB VAL 103 -9.382 -9.119 8.255 869 HG11 VAL 103 1HG1 VAL 103 -8.095 -11.151 8.037 870 HG12 VAL 103 2HG1 VAL 103 -8.419 -10.487 6.430 871 HG13 VAL 103 3HG1 VAL 103 -6.821 -10.291 7.167 872 HG21 VAL 103 3HG2 VAL 103 -7.919 -9.443 10.086 873 HG22 VAL 103 1HG2 VAL 103 -6.485 -8.961 9.147 874 HG23 VAL 103 2HG2 VAL 103 -7.679 -7.751 9.642 875 H ALA 104 H ALA 104 -10.635 -8.026 6.469 876 HA ALA 104 HA ALA 104 -10.367 -9.320 3.941 877 HB1 ALA 104 3HB ALA 104 -12.392 -9.419 5.371 878 HB2 ALA 104 1HB ALA 104 -12.694 -7.692 5.060 879 HB3 ALA 104 2HB ALA 104 -12.776 -8.863 3.721 880 H GLN 105 H GLN 105 -10.954 -5.872 4.806 881 HA GLN 105 HA GLN 105 -11.175 -4.951 2.121 882 HB2 GLN 105 1HB GLN 105 -10.408 -3.645 4.729 883 HB3 GLN 105 2HB GLN 105 -10.322 -2.753 3.200 884 HG2 GLN 105 1HG GLN 105 -12.686 -3.170 2.781 885 HG3 GLN 105 2HG GLN 105 -12.803 -4.104 4.277 886 HE21 GLN 105 2HE2 GLN 105 -13.651 -3.040 5.899 887 HE22 GLN 105 1HE2 GLN 105 -13.528 -1.315 6.171 888 H THR 106 H THR 106 -8.272 -5.447 4.166 889 HA THR 106 HA THR 106 -6.505 -4.068 2.390 890 HB THR 106 HB THR 106 -5.822 -6.447 4.169 891 HG1 THR 106 HG1 THR 106 -6.746 -4.816 5.402 892 HG21 THR 106 1HG2 THR 106 -3.587 -5.431 4.215 893 HG22 THR 106 2HG2 THR 106 -4.134 -4.146 3.117 894 HG23 THR 106 3HG2 THR 106 -4.047 -5.832 2.551 895 H GLU 107 H GLU 107 -7.618 -7.507 2.515 896 HA GLU 107 HA GLU 107 -6.038 -8.353 0.289 897 HB2 GLU 107 1HB GLU 107 -8.752 -9.309 1.259 898 HB3 GLU 107 2HB GLU 107 -7.840 -10.050 -0.052 899 HG2 GLU 107 1HG GLU 107 -5.948 -10.380 1.546 900 HG3 GLU 107 2HG GLU 107 -7.036 -9.866 2.842 901 H GLU 108 H GLU 108 -9.323 -6.872 0.407 902 HA GLU 108 HA GLU 108 -9.872 -7.157 -2.382 903 HB2 GLU 108 1HB GLU 108 -10.719 -4.997 -0.415 904 HB3 GLU 108 2HB GLU 108 -11.386 -5.174 -2.037 905 HG2 GLU 108 1HG GLU 108 -12.277 -7.378 -1.462 906 HG3 GLU 108 2HG GLU 108 -11.576 -7.256 0.156 907 H ILE 109 H ILE 109 -8.263 -4.565 -0.541 908 HA ILE 109 HA ILE 109 -7.906 -2.817 -2.802 909 HB ILE 109 HB ILE 109 -6.451 -2.997 -0.117 910 HG12 ILE 109 1HG1 ILE 109 -8.470 -0.915 -0.995 911 HG13 ILE 109 2HG1 ILE 109 -9.013 -2.454 -0.346 912 HG21 ILE 109 1HG2 ILE 109 -6.358 -0.801 -2.259 913 HG22 ILE 109 2HG2 ILE 109 -5.738 -0.613 -0.603 914 HG23 ILE 109 3HG2 ILE 109 -4.998 -1.792 -1.696 915 HD11 ILE 109 3HD1 ILE 109 -7.614 -1.984 1.727 916 HD12 ILE 109 1HD1 ILE 109 -7.405 -0.332 1.100 917 HD13 ILE 109 2HD1 ILE 109 -9.032 -0.946 1.484 918 H LEU 110 H LEU 110 -5.860 -5.352 -1.311 919 HA LEU 110 HA LEU 110 -3.554 -4.841 -2.953 920 HB2 LEU 110 1HB LEU 110 -4.572 -7.045 -1.225 921 HB3 LEU 110 2HB LEU 110 -3.383 -7.495 -2.435 922 HG LEU 110 HG LEU 110 -1.690 -6.213 -1.468 923 HD11 LEU 110 1HD1 LEU 110 -2.034 -4.669 0.486 924 HD12 LEU 110 2HD1 LEU 110 -3.775 -4.776 0.211 925 HD13 LEU 110 3HD1 LEU 110 -2.721 -4.074 -1.030 926 HD21 LEU 110 3HD2 LEU 110 -2.289 -8.262 -0.245 927 HD22 LEU 110 1HD2 LEU 110 -3.387 -7.327 0.797 928 HD23 LEU 110 2HD2 LEU 110 -1.632 -7.033 0.854 929 H LYS 111 H LYS 111 -6.442 -6.877 -3.406 930 HA LYS 111 HA LYS 111 -5.462 -8.110 -5.836 931 HB2 LYS 111 1HB LYS 111 -8.176 -7.856 -4.592 932 HB3 LYS 111 2HB LYS 111 -7.887 -8.726 -6.113 933 HG2 LYS 111 1HG LYS 111 -6.513 -10.347 -5.071 934 HG3 LYS 111 2HG LYS 111 -6.251 -9.330 -3.645 935 HD2 LYS 111 1HD LYS 111 -8.681 -9.507 -3.169 936 HD3 LYS 111 2HD LYS 111 -8.768 -10.758 -4.426 937 HE2 LYS 111 1HE LYS 111 -7.136 -12.130 -3.212 938 HE3 LYS 111 2HE LYS 111 -6.852 -10.819 -2.062 939 HZ1 LYS 111 3HZ LYS 111 -8.241 -12.351 -0.990 940 HZ2 LYS 111 1HZ LYS 111 -9.283 -12.477 -2.271 941 HZ3 LYS 111 2HZ LYS 111 -9.219 -11.091 -1.380 942 H SER 112 H SER 112 -7.007 -5.087 -5.076 943 HA SER 112 HA SER 112 -7.779 -4.485 -7.841 944 HB2 SER 112 1HB SER 112 -8.909 -3.668 -5.707 945 HB3 SER 112 2HB SER 112 -7.532 -2.583 -5.492 946 HG SER 112 HG SER 112 -8.018 -1.855 -7.699 947 H ASN 113 H ASN 113 -4.922 -4.391 -6.039 948 HA ASN 113 HA ASN 113 -3.868 -1.896 -7.064 949 HB2 ASN 113 1HB ASN 113 -3.385 -3.223 -4.841 950 HB3 ASN 113 2HB ASN 113 -2.130 -4.006 -5.809 951 HD21 ASN 113 2HD2 ASN 113 -3.407 -0.860 -4.759 952 HD22 ASN 113 1HD2 ASN 113 -1.877 -0.027 -4.853 953 H SER 114 H SER 114 -1.170 -2.436 -7.652 954 HA SER 114 HA SER 114 -1.231 -4.183 -10.044 955 HB2 SER 114 1HB SER 114 -2.160 -2.022 -10.809 956 HB3 SER 114 2HB SER 114 -0.731 -1.184 -10.172 957 HG SER 114 HG SER 114 -0.344 -1.524 -12.307 958 H GLN 115 H GLN 115 0.838 -4.472 -11.017 959 HA GLN 115 HA GLN 115 3.047 -4.266 -9.049 960 HB2 GLN 115 1HB GLN 115 2.153 -6.337 -10.519 961 HB3 GLN 115 2HB GLN 115 3.293 -5.667 -11.687 962 HG2 GLN 115 1HG GLN 115 5.081 -5.828 -9.925 963 HG3 GLN 115 2HG GLN 115 3.904 -6.643 -8.880 964 HE21 GLN 115 2HE2 GLN 115 3.059 -8.713 -9.549 965 HE22 GLN 115 1HE2 GLN 115 3.976 -9.696 -10.671 966 H THR 116 H THR 116 1.896 -2.255 -11.348 967 HA THR 116 HA THR 116 4.196 -1.912 -13.064 968 HB THR 116 HB THR 116 2.906 0.181 -13.775 969 HG1 THR 116 HG1 THR 116 1.811 0.326 -11.676 970 HG21 THR 116 1HG2 THR 116 1.081 -1.100 -14.830 971 HG22 THR 116 2HG2 THR 116 1.391 -2.467 -13.740 972 HG23 THR 116 3HG2 THR 116 2.619 -1.985 -14.935 973 H ASP 117 H ASP 117 5.352 -0.001 -13.439 974 HA ASP 117 HA ASP 117 6.729 1.695 -12.973 975 HB2 ASP 117 1HB ASP 117 4.382 2.710 -12.613 976 HB3 ASP 117 2HB ASP 117 4.831 2.760 -10.900 977 H LEU 118 H LEU 118 7.103 -0.688 -11.197 978 HA LEU 118 HA LEU 118 8.106 0.354 -8.726 979 HB2 LEU 118 1HB LEU 118 9.103 -1.791 -8.413 980 HB3 LEU 118 2HB LEU 118 7.499 -1.996 -9.085 981 HG LEU 118 HG LEU 118 9.005 -2.116 -11.357 982 HD11 LEU 118 1HD1 LEU 118 11.133 -2.005 -10.063 983 HD12 LEU 118 2HD1 LEU 118 10.948 -3.551 -10.914 984 HD13 LEU 118 3HD1 LEU 118 10.647 -3.459 -9.164 985 HD21 LEU 118 3HD2 LEU 118 7.245 -3.685 -10.674 986 HD22 LEU 118 1HD2 LEU 118 8.333 -4.405 -9.468 987 HD23 LEU 118 2HD2 LEU 118 8.695 -4.556 -11.204 988 H GLU 119 H GLU 119 9.171 0.273 -11.797 989 HA GLU 119 HA GLU 119 12.039 0.623 -11.224 990 HB2 GLU 119 1HB GLU 119 10.442 -0.395 -13.416 991 HB3 GLU 119 2HB GLU 119 11.661 0.730 -14.013 992 HG2 GLU 119 1HG GLU 119 12.357 -1.497 -12.101 993 HG3 GLU 119 2HG GLU 119 12.315 -1.725 -13.859 994 H HIS 120 H HIS 120 11.291 2.729 -10.150 995 HA HIS 120 HA HIS 120 10.808 5.011 -11.876 996 HB2 HIS 120 1HB HIS 120 11.580 6.180 -9.614 997 HB3 HIS 120 2HB HIS 120 10.007 5.381 -9.762 998 HD1 HIS 120 HD1 HIS 120 13.570 4.453 -8.583 999 HD2 HIS 120 HD2 HIS 120 9.552 3.484 -7.856 1000 HE1 HIS 120 HE1 HIS 120 13.537 2.824 -6.613 1001 H HIS 121 H HIS 121 12.206 6.325 -12.922 1002 HA HIS 121 HA HIS 121 15.106 6.163 -12.170 1003 HB2 HIS 121 1HB HIS 121 14.000 6.448 -14.981 1004 HB3 HIS 121 2HB HIS 121 15.704 6.336 -14.518 1005 HD1 HIS 121 HD1 HIS 121 13.183 4.262 -15.940 1006 HD2 HIS 121 HD2 HIS 121 15.941 3.693 -12.835 1007 HE1 HIS 121 HE1 HIS 121 13.433 1.751 -15.606 1008 H HIS 122 H HIS 122 12.950 8.308 -14.120 1009 HA HIS 122 HA HIS 122 12.998 10.566 -14.482 1010 HB2 HIS 122 1HB HIS 122 12.504 10.306 -11.920 1011 HB3 HIS 122 2HB HIS 122 14.112 10.995 -11.699 1012 HD1 HIS 122 HD1 HIS 122 14.184 13.566 -11.631 1013 HD2 HIS 122 HD2 HIS 122 10.749 12.082 -13.562 1014 HE1 HIS 122 HE1 HIS 122 12.724 15.570 -12.215 1015 H HIS 123 H HIS 123 14.805 12.526 -13.248 1016 HA HIS 123 HA HIS 123 17.470 11.885 -14.407 1017 HB2 HIS 123 1HB HIS 123 16.063 13.060 -16.147 1018 HB3 HIS 123 2HB HIS 123 15.763 14.364 -14.991 1019 HD1 HIS 123 HD1 HIS 123 18.620 12.819 -17.039 1020 HD2 HIS 123 HD2 HIS 123 17.709 16.320 -14.910 1021 HE1 HIS 123 HE1 HIS 123 20.492 14.491 -17.509 1022 H HIS 124 H HIS 124 19.105 13.146 -13.268 1023 HA HIS 124 HA HIS 124 18.260 14.156 -10.612 1024 HB2 HIS 124 1HB HIS 124 20.974 13.990 -12.007 1025 HB3 HIS 124 2HB HIS 124 20.727 14.684 -10.401 1026 HD1 HIS 124 HD1 HIS 124 22.659 12.432 -10.370 1027 HD2 HIS 124 HD2 HIS 124 18.521 11.770 -10.119 1028 HE1 HIS 124 HE1 HIS 124 22.333 10.141 -9.296 1029 H HIS 125 H HIS 125 17.528 16.191 -10.462 1030 HA HIS 125 HA HIS 125 16.980 18.344 -11.004 1031 HB2 HIS 125 1HB HIS 125 19.570 18.572 -10.729 1032 HB3 HIS 125 2HB HIS 125 19.604 18.642 -12.495 1033 HD1 HIS 125 HD1 HIS 125 17.683 20.553 -13.443 1034 HD2 HIS 125 HD2 HIS 125 19.448 21.084 -9.673 1035 HE1 HIS 125 HE1 HIS 125 17.440 23.038 -12.836 Start of MODEL 27 1 H21 MYR 1 1H2 MYR 1 0.212 0.075 -1.083 2 H22 MYR 1 2H2 MYR 1 1.703 -0.117 -0.178 3 H31 MYR 1 1H3 MYR 1 -0.735 -1.917 0.333 4 H32 MYR 1 2H3 MYR 1 0.404 -2.275 -0.963 5 H41 MYR 1 1H4 MYR 1 2.286 -2.363 0.681 6 H42 MYR 1 2H4 MYR 1 1.198 -2.015 2.006 7 H51 MYR 1 1H5 MYR 1 0.755 -4.437 0.185 8 H52 MYR 1 2H5 MYR 1 1.912 -4.522 1.494 9 H61 MYR 1 1H6 MYR 1 -1.003 -3.684 2.001 10 H62 MYR 1 2H6 MYR 1 -0.519 -5.373 1.930 11 H71 MYR 1 1H7 MYR 1 1.081 -5.069 3.791 12 H72 MYR 1 2H7 MYR 1 0.707 -3.348 3.887 13 H81 MYR 1 1H8 MYR 1 -1.579 -3.784 4.608 14 H82 MYR 1 2H8 MYR 1 -1.447 -5.503 4.230 15 H91 MYR 1 1H9 MYR 1 0.274 -4.124 6.357 16 H92 MYR 1 2H9 MYR 1 0.194 -5.850 6.034 17 H101 MYR 1 1H10 MYR 1 -2.279 -4.257 6.890 18 H102 MYR 1 2H10 MYR 1 -1.134 -4.883 8.064 19 H111 MYR 1 1H11 MYR 1 -2.740 -6.594 6.074 20 H112 MYR 1 2H11 MYR 1 -1.524 -7.225 7.180 21 H121 MYR 1 1H12 MYR 1 -3.515 -7.615 8.372 22 H122 MYR 1 2H12 MYR 1 -2.936 -6.131 9.100 23 H131 MYR 1 1H13 MYR 1 -4.523 -4.872 7.440 24 H132 MYR 1 2H13 MYR 1 -5.190 -6.452 7.035 25 H141 MYR 1 1H14 MYR 1 -5.189 -5.123 9.807 26 H142 MYR 1 2H14 MYR 1 -6.590 -5.429 8.771 27 H143 MYR 1 3H14 MYR 1 -5.735 -6.784 9.515 28 H GLY 2 H GLY 2 1.735 0.327 2.039 29 HA2 GLY 2 1HA GLY 2 -0.411 1.057 3.720 30 HA3 GLY 2 2HA GLY 2 1.271 1.575 3.920 31 H GLN 3 H GLN 3 1.504 2.992 1.422 32 HA GLN 3 HA GLN 3 0.494 5.535 2.255 33 HB2 GLN 3 1HB GLN 3 1.594 4.469 -0.354 34 HB3 GLN 3 2HB GLN 3 1.047 6.143 -0.190 35 HG2 GLN 3 1HG GLN 3 3.058 4.998 1.744 36 HG3 GLN 3 2HG GLN 3 3.556 5.599 0.160 37 HE21 GLN 3 2HE2 GLN 3 3.359 7.798 -0.345 38 HE22 GLN 3 1HE2 GLN 3 3.148 8.985 0.924 39 H GLU 4 H GLU 4 -0.791 3.161 -0.156 40 HA GLU 4 HA GLU 4 -2.909 5.033 -0.844 41 HB2 GLU 4 1HB GLU 4 -3.677 3.501 -2.395 42 HB3 GLU 4 2HB GLU 4 -1.927 3.313 -2.410 43 HG2 GLU 4 1HG GLU 4 -2.131 1.129 -2.070 44 HG3 GLU 4 2HG GLU 4 -3.023 1.393 -0.572 45 H LEU 5 H LEU 5 -2.500 2.373 1.446 46 HA LEU 5 HA LEU 5 -5.259 2.015 2.066 47 HB2 LEU 5 1HB LEU 5 -2.753 1.674 3.731 48 HB3 LEU 5 2HB LEU 5 -4.349 1.238 4.306 49 HG LEU 5 HG LEU 5 -2.995 0.004 1.893 50 HD11 LEU 5 1HD1 LEU 5 -3.402 -1.109 4.691 51 HD12 LEU 5 2HD1 LEU 5 -1.855 -0.558 4.005 52 HD13 LEU 5 3HD1 LEU 5 -2.680 -1.966 3.312 53 HD21 LEU 5 3HD2 LEU 5 -5.554 -0.752 3.330 54 HD22 LEU 5 1HD2 LEU 5 -4.755 -1.719 2.072 55 HD23 LEU 5 2HD2 LEU 5 -5.403 -0.120 1.674 56 H SER 6 H SER 6 -2.846 4.334 3.372 57 HA SER 6 HA SER 6 -4.648 5.534 5.251 58 HB2 SER 6 1HB SER 6 -3.043 7.289 5.430 59 HB3 SER 6 2HB SER 6 -2.121 5.802 5.166 60 HG SER 6 HG SER 6 -2.008 6.414 2.916 61 H GLN 7 H GLN 7 -4.621 5.737 1.808 62 HA GLN 7 HA GLN 7 -6.147 8.310 1.882 63 HB2 GLN 7 1HB GLN 7 -4.839 6.796 -0.406 64 HB3 GLN 7 2HB GLN 7 -5.743 8.308 -0.576 65 HG2 GLN 7 1HG GLN 7 -4.109 9.477 0.837 66 HG3 GLN 7 2HG GLN 7 -3.233 7.969 1.108 67 HE21 GLN 7 2HE2 GLN 7 -1.897 7.137 -0.452 68 HE22 GLN 7 1HE2 GLN 7 -1.451 8.041 -1.886 69 H HIS 8 H HIS 8 -6.492 4.922 1.645 70 HA HIS 8 HA HIS 8 -8.930 4.895 0.016 71 HB2 HIS 8 1HB HIS 8 -7.179 3.025 0.327 72 HB3 HIS 8 2HB HIS 8 -7.878 2.726 1.894 73 HD1 HIS 8 HD1 HIS 8 -10.212 1.483 1.948 74 HD2 HIS 8 HD2 HIS 8 -8.706 2.218 -1.896 75 HE1 HIS 8 HE1 HIS 8 -11.618 0.112 0.336 76 H GLU 9 H GLU 9 -10.237 6.470 1.190 77 HA GLU 9 HA GLU 9 -10.381 6.627 3.925 78 HB2 GLU 9 1HB GLU 9 -12.479 7.331 1.887 79 HB3 GLU 9 2HB GLU 9 -12.626 7.702 3.614 80 HG2 GLU 9 1HG GLU 9 -10.304 8.788 3.407 81 HG3 GLU 9 2HG GLU 9 -10.571 8.740 1.656 82 H ARG 10 H ARG 10 -12.261 4.236 2.065 83 HA ARG 10 HA ARG 10 -13.951 3.575 4.326 84 HB2 ARG 10 1HB ARG 10 -13.172 1.916 1.909 85 HB3 ARG 10 2HB ARG 10 -14.384 1.467 3.113 86 HG2 ARG 10 1HG ARG 10 -15.496 3.752 2.541 87 HG3 ARG 10 2HG ARG 10 -14.487 3.698 1.080 88 HD2 ARG 10 1HD ARG 10 -16.594 2.718 0.507 89 HD3 ARG 10 2HD ARG 10 -15.433 1.379 0.655 90 HE ARG 10 HE ARG 10 -16.822 1.952 3.145 91 HH11 ARG 10 1HH1 ARG 10 -17.134 0.171 0.102 92 HH12 ARG 10 2HH1 ARG 10 -18.271 -0.962 0.776 93 HH21 ARG 10 1HH2 ARG 10 -18.275 0.477 3.925 94 HH22 ARG 10 2HH2 ARG 10 -18.905 -0.790 2.905 95 H TYR 11 H TYR 11 -10.666 2.776 3.551 96 HA TYR 11 HA TYR 11 -10.580 0.487 5.431 97 HB2 TYR 11 1HB TYR 11 -9.205 0.518 3.346 98 HB3 TYR 11 2HB TYR 11 -8.373 1.960 3.934 99 HD1 TYR 11 HD2 TYR 11 -8.949 -1.659 4.607 100 HD2 TYR 11 HD1 TYR 11 -6.543 1.799 5.461 101 HE1 TYR 11 HE2 TYR 11 -7.283 -3.096 5.754 102 HE2 TYR 11 HE1 TYR 11 -4.868 0.338 6.599 103 HH TYR 11 HH TYR 11 -4.271 -1.787 7.142 104 H VAL 12 H VAL 12 -9.551 3.855 5.018 105 HA VAL 12 HA VAL 12 -8.296 4.284 7.518 106 HB VAL 12 HB VAL 12 -10.014 6.204 5.881 107 HG11 VAL 12 1HG1 VAL 12 -8.950 8.038 7.002 108 HG12 VAL 12 2HG1 VAL 12 -9.622 6.978 8.254 109 HG13 VAL 12 3HG1 VAL 12 -7.884 6.948 7.902 110 HG21 VAL 12 3HG2 VAL 12 -8.049 5.250 4.665 111 HG22 VAL 12 1HG2 VAL 12 -7.906 6.992 4.935 112 HG23 VAL 12 2HG2 VAL 12 -6.995 5.852 5.950 113 H GLU 13 H GLU 13 -11.797 4.184 6.678 114 HA GLU 13 HA GLU 13 -12.844 5.174 9.082 115 HB2 GLU 13 1HB GLU 13 -13.810 3.079 7.161 116 HB3 GLU 13 2HB GLU 13 -14.718 3.436 8.630 117 HG2 GLU 13 1HG GLU 13 -14.898 5.789 7.971 118 HG3 GLU 13 2HG GLU 13 -13.997 5.455 6.494 119 H GLN 14 H GLN 14 -11.930 1.761 8.419 120 HA GLN 14 HA GLN 14 -12.591 0.913 11.110 121 HB2 GLN 14 1HB GLN 14 -10.784 -0.309 8.984 122 HB3 GLN 14 2HB GLN 14 -11.245 -1.103 10.491 123 HG2 GLN 14 1HG GLN 14 -13.108 -0.267 8.250 124 HG3 GLN 14 2HG GLN 14 -12.623 -1.917 8.668 125 HE21 GLN 14 2HE2 GLN 14 -12.969 -2.280 11.231 126 HE22 GLN 14 1HE2 GLN 14 -14.597 -1.874 11.742 127 H LEU 15 H LEU 15 -9.644 1.983 9.448 128 HA LEU 15 HA LEU 15 -7.883 1.344 11.603 129 HB2 LEU 15 1HB LEU 15 -7.741 2.951 9.114 130 HB3 LEU 15 2HB LEU 15 -6.531 3.259 10.341 131 HG LEU 15 HG LEU 15 -6.058 1.609 8.386 132 HD11 LEU 15 1HD1 LEU 15 -4.436 0.441 9.818 133 HD12 LEU 15 2HD1 LEU 15 -5.302 1.010 11.264 134 HD13 LEU 15 3HD1 LEU 15 -4.511 2.177 10.177 135 HD21 LEU 15 3HD2 LEU 15 -7.960 0.066 8.764 136 HD22 LEU 15 1HD2 LEU 15 -7.316 -0.331 10.377 137 HD23 LEU 15 2HD2 LEU 15 -6.399 -0.754 8.923 138 H LYS 16 H LYS 16 -10.021 4.102 11.144 139 HA LYS 16 HA LYS 16 -8.754 5.988 12.876 140 HB2 LYS 16 1HB LYS 16 -11.687 5.309 12.454 141 HB3 LYS 16 2HB LYS 16 -11.165 6.635 13.487 142 HG2 LYS 16 1HG LYS 16 -10.357 7.911 11.669 143 HG3 LYS 16 2HG LYS 16 -10.305 6.512 10.602 144 HD2 LYS 16 1HD LYS 16 -12.842 6.361 10.833 145 HD3 LYS 16 2HD LYS 16 -12.782 7.953 11.608 146 HE2 LYS 16 1HE LYS 16 -11.770 8.924 9.578 147 HE3 LYS 16 2HE LYS 16 -11.682 7.318 8.830 148 HZ1 LYS 16 3HZ LYS 16 -14.106 7.232 8.835 149 HZ2 LYS 16 1HZ LYS 16 -13.586 8.560 8.011 150 HZ3 LYS 16 2HZ LYS 16 -14.202 8.724 9.532 151 H GLN 17 H GLN 17 -10.698 3.092 13.535 152 HA GLN 17 HA GLN 17 -10.630 3.543 16.426 153 HB2 GLN 17 1HB GLN 17 -11.454 1.120 14.787 154 HB3 GLN 17 2HB GLN 17 -11.704 1.315 16.522 155 HG2 GLN 17 1HG GLN 17 -12.894 3.230 14.488 156 HG3 GLN 17 2HG GLN 17 -13.704 1.749 15.003 157 HE21 GLN 17 2HE2 GLN 17 -15.002 1.851 16.692 158 HE22 GLN 17 1HE2 GLN 17 -15.022 3.128 17.881 159 H ALA 18 H ALA 18 -8.929 1.479 14.027 160 HA ALA 18 HA ALA 18 -7.517 -0.079 15.928 161 HB1 ALA 18 3HB ALA 18 -6.568 0.713 13.153 162 HB2 ALA 18 1HB ALA 18 -6.065 -0.706 14.095 163 HB3 ALA 18 2HB ALA 18 -7.735 -0.589 13.492 164 H LEU 19 H LEU 19 -6.616 3.074 14.444 165 HA LEU 19 HA LEU 19 -3.965 3.212 15.563 166 HB2 LEU 19 1HB LEU 19 -5.995 5.172 14.522 167 HB3 LEU 19 2HB LEU 19 -4.723 5.807 15.539 168 HG LEU 19 HG LEU 19 -4.270 6.194 13.199 169 HD11 LEU 19 1HD1 LEU 19 -2.327 4.232 14.432 170 HD12 LEU 19 2HD1 LEU 19 -2.396 5.982 14.718 171 HD13 LEU 19 3HD1 LEU 19 -1.969 5.365 13.108 172 HD21 LEU 19 3HD2 LEU 19 -3.615 4.377 11.675 173 HD22 LEU 19 1HD2 LEU 19 -5.327 4.327 12.129 174 HD23 LEU 19 2HD2 LEU 19 -4.185 3.192 12.877 175 H LYS 20 H LYS 20 -7.178 4.100 16.723 176 HA LYS 20 HA LYS 20 -6.289 5.447 19.115 177 HB2 LYS 20 1HB LYS 20 -8.425 5.821 17.858 178 HB3 LYS 20 2HB LYS 20 -8.974 4.227 18.370 179 HG2 LYS 20 1HG LYS 20 -8.696 5.088 20.782 180 HG3 LYS 20 2HG LYS 20 -8.606 6.704 20.054 181 HD2 LYS 20 1HD LYS 20 -10.864 4.688 19.649 182 HD3 LYS 20 2HD LYS 20 -10.924 6.065 20.762 183 HE2 LYS 20 1HE LYS 20 -10.685 7.629 18.858 184 HE3 LYS 20 2HE LYS 20 -10.597 6.257 17.731 185 HZ1 LYS 20 3HZ LYS 20 -12.806 5.651 18.249 186 HZ2 LYS 20 1HZ LYS 20 -12.834 7.270 17.938 187 HZ3 LYS 20 2HZ LYS 20 -12.919 6.734 19.497 188 H THR 21 H THR 21 -7.593 2.159 18.498 189 HA THR 21 HA THR 21 -7.985 1.551 21.239 190 HB THR 21 HB THR 21 -9.001 0.372 19.207 191 HG1 THR 21 HG1 THR 21 -7.885 -1.021 21.418 192 HG21 THR 21 1HG2 THR 21 -7.880 -1.480 18.221 193 HG22 THR 21 2HG2 THR 21 -6.535 -1.393 19.378 194 HG23 THR 21 3HG2 THR 21 -6.737 -0.137 18.139 195 H ARG 22 H ARG 22 -5.008 1.689 19.516 196 HA ARG 22 HA ARG 22 -3.643 -0.293 21.140 197 HB2 ARG 22 1HB ARG 22 -3.064 1.280 18.870 198 HB3 ARG 22 2HB ARG 22 -1.928 1.822 20.108 199 HG2 ARG 22 1HG ARG 22 -2.325 -1.080 19.285 200 HG3 ARG 22 2HG ARG 22 -1.078 -0.003 18.648 201 HD2 ARG 22 1HD ARG 22 0.221 -0.842 20.291 202 HD3 ARG 22 2HD ARG 22 -0.652 0.285 21.329 203 HE ARG 22 HE ARG 22 -1.904 -1.480 22.242 204 HH11 ARG 22 1HH1 ARG 22 0.291 -2.717 19.759 205 HH12 ARG 22 2HH1 ARG 22 0.105 -4.377 20.303 206 HH21 ARG 22 1HH2 ARG 22 -2.097 -3.638 22.828 207 HH22 ARG 22 2HH2 ARG 22 -1.224 -4.879 21.952 208 H GLY 23 H GLY 23 -4.599 3.046 21.576 209 HA2 GLY 23 1HA GLY 23 -4.380 4.378 23.457 210 HA3 GLY 23 2HA GLY 23 -3.596 3.028 24.295 211 H VAL 24 H VAL 24 -2.318 4.059 21.220 212 HA VAL 24 HA VAL 24 0.014 5.274 22.653 213 HB VAL 24 HB VAL 24 0.015 3.573 20.105 214 HG11 VAL 24 1HG1 VAL 24 1.772 5.306 20.018 215 HG12 VAL 24 2HG1 VAL 24 2.343 4.833 21.636 216 HG13 VAL 24 3HG1 VAL 24 2.492 3.709 20.266 217 HG21 VAL 24 3HG2 VAL 24 1.099 2.988 22.898 218 HG22 VAL 24 1HG2 VAL 24 -0.315 2.228 22.147 219 HG23 VAL 24 2HG2 VAL 24 1.296 1.947 21.467 220 H LYS 25 H LYS 25 0.794 7.172 21.869 221 HA LYS 25 HA LYS 25 -0.949 8.694 20.095 222 HB2 LYS 25 1HB LYS 25 0.254 9.626 22.105 223 HB3 LYS 25 2HB LYS 25 1.776 9.367 21.263 224 HG2 LYS 25 1HG LYS 25 0.689 10.903 19.396 225 HG3 LYS 25 2HG LYS 25 -0.396 11.395 20.708 226 HD2 LYS 25 1HD LYS 25 1.382 12.970 20.748 227 HD3 LYS 25 2HD LYS 25 1.744 11.851 22.078 228 HE2 LYS 25 1HE LYS 25 3.295 10.596 20.539 229 HE3 LYS 25 2HE LYS 25 2.965 11.790 19.273 230 HZ1 LYS 25 3HZ LYS 25 3.914 13.487 20.723 231 HZ2 LYS 25 1HZ LYS 25 5.009 12.281 20.456 232 HZ3 LYS 25 2HZ LYS 25 4.215 12.369 21.899 233 H VAL 26 H VAL 26 -0.791 7.404 18.163 234 HA VAL 26 HA VAL 26 1.591 8.187 16.532 235 HB VAL 26 HB VAL 26 1.125 5.999 15.212 236 HG11 VAL 26 1HG1 VAL 26 3.184 6.349 16.471 237 HG12 VAL 26 2HG1 VAL 26 2.384 5.857 17.978 238 HG13 VAL 26 3HG1 VAL 26 2.632 4.675 16.671 239 HG21 VAL 26 3HG2 VAL 26 0.146 4.128 16.395 240 HG22 VAL 26 1HG2 VAL 26 -0.011 5.067 17.893 241 HG23 VAL 26 2HG2 VAL 26 -1.020 5.461 16.487 242 H LYS 27 H LYS 27 1.081 8.677 14.374 243 HA LYS 27 HA LYS 27 -1.830 9.242 13.951 244 HB2 LYS 27 1HB LYS 27 -1.146 11.009 12.423 245 HB3 LYS 27 2HB LYS 27 -0.399 11.238 14.007 246 HG2 LYS 27 1HG LYS 27 1.679 10.102 13.038 247 HG3 LYS 27 2HG LYS 27 0.928 10.305 11.448 248 HD2 LYS 27 1HD LYS 27 1.518 12.553 13.420 249 HD3 LYS 27 2HD LYS 27 2.553 12.110 12.054 250 HE2 LYS 27 1HE LYS 27 0.663 12.613 10.494 251 HE3 LYS 27 2HE LYS 27 -0.305 13.155 11.883 252 HZ1 LYS 27 3HZ LYS 27 2.281 14.341 11.029 253 HZ2 LYS 27 1HZ LYS 27 1.383 14.844 12.318 254 HZ3 LYS 27 2HZ LYS 27 0.795 15.015 10.787 255 H PHE 28 H PHE 28 -2.531 9.074 11.614 256 HA PHE 28 HA PHE 28 -2.081 6.473 10.604 257 HB2 PHE 28 1HB PHE 28 -3.215 9.053 9.532 258 HB3 PHE 28 2HB PHE 28 -2.842 7.775 8.371 259 HD1 PHE 28 HD2 PHE 28 -4.868 8.542 11.420 260 HD2 PHE 28 HD1 PHE 28 -4.217 5.911 8.079 261 HE1 PHE 28 HE2 PHE 28 -7.039 7.415 11.886 262 HE2 PHE 28 HE1 PHE 28 -6.363 4.790 8.532 263 HZ PHE 28 HZ PHE 28 -7.795 5.548 10.425 264 H ALA 29 H ALA 29 -0.637 9.559 9.456 265 HA ALA 29 HA ALA 29 0.800 8.403 7.314 266 HB1 ALA 29 3HB ALA 29 2.129 10.468 7.354 267 HB2 ALA 29 1HB ALA 29 0.404 10.835 7.575 268 HB3 ALA 29 2HB ALA 29 1.512 10.860 8.974 269 H ASP 30 H ASP 30 1.449 8.348 10.744 270 HA ASP 30 HA ASP 30 4.282 7.635 10.381 271 HB2 ASP 30 1HB ASP 30 3.578 9.030 12.282 272 HB3 ASP 30 2HB ASP 30 2.504 7.737 12.836 273 H LEU 31 H LEU 31 1.168 6.081 11.274 274 HA LEU 31 HA LEU 31 2.437 3.549 11.807 275 HB2 LEU 31 1HB LEU 31 0.298 4.138 12.831 276 HB3 LEU 31 2HB LEU 31 -0.461 4.217 11.237 277 HG LEU 31 HG LEU 31 -0.101 1.822 10.897 278 HD11 LEU 31 1HD1 LEU 31 1.208 1.900 13.633 279 HD12 LEU 31 2HD1 LEU 31 1.921 1.372 12.088 280 HD13 LEU 31 3HD1 LEU 31 0.645 0.408 12.844 281 HD21 LEU 31 3HD2 LEU 31 -1.366 2.381 13.585 282 HD22 LEU 31 1HD2 LEU 31 -1.644 0.956 12.557 283 HD23 LEU 31 2HD2 LEU 31 -2.148 2.560 11.996 284 H LEU 32 H LEU 32 0.482 4.754 9.055 285 HA LEU 32 HA LEU 32 0.672 2.273 7.627 286 HB2 LEU 32 1HB LEU 32 -0.118 5.068 6.852 287 HB3 LEU 32 2HB LEU 32 0.134 3.850 5.622 288 HG LEU 32 HG LEU 32 -2.206 3.999 6.082 289 HD11 LEU 32 1HD1 LEU 32 -1.252 1.724 5.673 290 HD12 LEU 32 2HD1 LEU 32 -2.803 1.748 6.530 291 HD13 LEU 32 3HD1 LEU 32 -1.299 1.452 7.429 292 HD21 LEU 32 3HD2 LEU 32 -1.619 3.300 8.965 293 HD22 LEU 32 1HD2 LEU 32 -3.214 3.586 8.207 294 HD23 LEU 32 2HD2 LEU 32 -2.049 4.916 8.343 295 H LYS 33 H LYS 33 2.898 4.868 8.007 296 HA LYS 33 HA LYS 33 4.586 4.540 5.743 297 HB2 LYS 33 1HB LYS 33 4.972 6.207 7.529 298 HB3 LYS 33 2HB LYS 33 5.280 4.908 8.678 299 HG2 LYS 33 1HG LYS 33 7.260 4.227 7.345 300 HG3 LYS 33 2HG LYS 33 7.011 5.658 6.319 301 HD2 LYS 33 1HD LYS 33 7.231 7.103 8.305 302 HD3 LYS 33 2HD LYS 33 7.410 5.665 9.334 303 HE2 LYS 33 1HE LYS 33 9.438 5.023 8.032 304 HE3 LYS 33 2HE LYS 33 9.295 6.537 7.112 305 HZ1 LYS 33 3HZ LYS 33 9.537 7.746 9.196 306 HZ2 LYS 33 1HZ LYS 33 10.832 6.747 8.974 307 HZ3 LYS 33 2HZ LYS 33 9.649 6.341 10.051 308 H PHE 34 H PHE 34 4.271 2.571 8.724 309 HA PHE 34 HA PHE 34 6.436 0.798 7.911 310 HB2 PHE 34 1HB PHE 34 4.426 0.758 10.166 311 HB3 PHE 34 2HB PHE 34 5.590 -0.540 9.901 312 HD1 PHE 34 HD1 PHE 34 5.241 3.060 10.733 313 HD2 PHE 34 HD2 PHE 34 7.934 -0.276 10.432 314 HE1 PHE 34 HE1 PHE 34 6.968 4.370 11.945 315 HE2 PHE 34 HE2 PHE 34 9.680 1.021 11.655 316 HZ PHE 34 HZ PHE 34 9.199 3.353 12.408 317 H PHE 35 H PHE 35 2.965 0.898 7.392 318 HA PHE 35 HA PHE 35 2.705 -1.903 6.608 319 HB2 PHE 35 1HB PHE 35 1.088 0.597 5.985 320 HB3 PHE 35 2HB PHE 35 0.715 -0.968 5.275 321 HD1 PHE 35 HD2 PHE 35 1.610 0.059 8.834 322 HD2 PHE 35 HD1 PHE 35 -1.230 -1.781 6.173 323 HE1 PHE 35 HE2 PHE 35 0.164 -0.505 10.762 324 HE2 PHE 35 HE1 PHE 35 -2.685 -2.332 8.116 325 HZ PHE 35 HZ PHE 35 -1.994 -1.684 10.410 326 H ASP 36 H ASP 36 3.738 1.146 5.140 327 HA ASP 36 HA ASP 36 3.798 0.095 2.419 328 HB2 ASP 36 1HB ASP 36 3.740 2.599 3.497 329 HB3 ASP 36 2HB ASP 36 5.470 2.444 3.158 330 H PHE 37 H PHE 37 6.009 0.332 5.152 331 HA PHE 37 HA PHE 37 8.452 -0.147 3.772 332 HB2 PHE 37 1HB PHE 37 8.258 0.611 6.127 333 HB3 PHE 37 2HB PHE 37 7.637 -0.978 6.582 334 HD1 PHE 37 HD2 PHE 37 10.620 0.591 4.899 335 HD2 PHE 37 HD1 PHE 37 9.121 -2.603 7.364 336 HE1 PHE 37 HE2 PHE 37 12.950 -0.212 5.269 337 HE2 PHE 37 HE1 PHE 37 11.450 -3.415 7.736 338 HZ PHE 37 HZ PHE 37 13.367 -2.214 6.689 339 H VAL 38 H VAL 38 5.921 -2.396 4.930 340 HA VAL 38 HA VAL 38 7.487 -4.758 4.484 341 HB VAL 38 HB VAL 38 5.662 -5.956 5.075 342 HG11 VAL 38 1HG1 VAL 38 4.393 -3.296 5.607 343 HG12 VAL 38 2HG1 VAL 38 4.099 -4.818 6.455 344 HG13 VAL 38 3HG1 VAL 38 5.669 -4.011 6.619 345 HG21 VAL 38 3HG2 VAL 38 3.324 -5.637 4.293 346 HG22 VAL 38 1HG2 VAL 38 3.846 -4.219 3.360 347 HG23 VAL 38 2HG2 VAL 38 4.461 -5.845 2.956 348 H LYS 39 H LYS 39 5.781 -2.605 2.348 349 HA LYS 39 HA LYS 39 5.308 -4.490 0.283 350 HB2 LYS 39 1HB LYS 39 4.381 -2.083 0.570 351 HB3 LYS 39 2HB LYS 39 5.880 -1.551 -0.191 352 HG2 LYS 39 1HG LYS 39 5.309 -3.019 -2.165 353 HG3 LYS 39 2HG LYS 39 3.733 -3.319 -1.401 354 HD2 LYS 39 1HD LYS 39 3.377 -0.827 -1.349 355 HD3 LYS 39 2HD LYS 39 4.877 -0.641 -2.273 356 HE2 LYS 39 1HE LYS 39 3.893 -2.077 -4.077 357 HE3 LYS 39 2HE LYS 39 2.374 -2.144 -3.158 358 HZ1 LYS 39 3HZ LYS 39 2.340 0.316 -3.300 359 HZ2 LYS 39 1HZ LYS 39 2.208 -0.411 -4.771 360 HZ3 LYS 39 2HZ LYS 39 3.640 0.269 -4.310 361 H ASP 40 H ASP 40 8.037 -2.451 1.160 362 HA ASP 40 HA ASP 40 9.567 -2.913 -1.259 363 HB2 ASP 40 1HB ASP 40 9.815 -0.921 0.213 364 HB3 ASP 40 2HB ASP 40 10.425 -1.964 1.505 365 H THR 41 H THR 41 9.900 -4.094 2.139 366 HA THR 41 HA THR 41 12.067 -5.853 1.457 367 HB THR 41 HB THR 41 10.301 -6.351 3.847 368 HG1 THR 41 HG1 THR 41 11.897 -4.056 3.324 369 HG21 THR 41 1HG2 THR 41 12.374 -7.651 3.525 370 HG22 THR 41 2HG2 THR 41 12.485 -6.595 4.947 371 HG23 THR 41 3HG2 THR 41 13.304 -6.137 3.443 372 H CYS 42 H CYS 42 8.588 -6.244 1.488 373 HA CYS 42 HA CYS 42 8.938 -9.067 0.563 374 HB2 CYS 42 1HB CYS 42 6.769 -7.932 2.364 375 HB3 CYS 42 2HB CYS 42 6.739 -9.542 1.640 376 HG CYS 42 HG CYS 42 9.148 -8.354 3.529 377 HA PRO 43 HA PRO 43 6.672 -6.414 -2.485 378 HB2 PRO 43 1HB PRO 43 7.871 -7.322 -4.760 379 HB3 PRO 43 2HB PRO 43 8.644 -6.101 -3.697 380 HG2 PRO 43 1HG PRO 43 9.080 -9.081 -3.774 381 HG3 PRO 43 2HG PRO 43 10.296 -7.763 -3.820 382 HD2 PRO 43 1HD PRO 43 9.661 -9.063 -1.522 383 HD3 PRO 43 2HD PRO 43 10.049 -7.301 -1.538 384 H TRP 44 H TRP 44 7.179 -9.772 -2.026 385 HA TRP 44 HA TRP 44 5.100 -10.663 -3.866 386 HB2 TRP 44 1HB TRP 44 5.564 -12.828 -2.464 387 HB3 TRP 44 2HB TRP 44 6.758 -12.246 -3.635 388 HD1 TRP 44 HD1 TRP 44 6.091 -11.769 0.149 389 HE1 TRP 44 HE1 TRP 44 8.297 -11.624 1.423 390 HE3 TRP 44 HE3 TRP 44 9.202 -12.051 -3.874 391 HZ2 TRP 44 HZ2 TRP 44 11.070 -11.578 0.764 392 HZ3 TRP 44 HZ3 TRP 44 11.675 -11.924 -3.493 393 HH2 TRP 44 HH2 TRP 44 12.587 -11.689 -1.181 394 H PHE 45 H PHE 45 5.147 -9.322 -0.668 395 HA PHE 45 HA PHE 45 3.055 -10.910 0.461 396 HB2 PHE 45 1HB PHE 45 4.506 -9.433 1.792 397 HB3 PHE 45 2HB PHE 45 3.744 -8.016 1.070 398 HD1 PHE 45 HD2 PHE 45 3.222 -10.924 3.321 399 HD2 PHE 45 HD1 PHE 45 1.552 -7.263 1.793 400 HE1 PHE 45 HE2 PHE 45 1.472 -10.988 5.093 401 HE2 PHE 45 HE1 PHE 45 -0.218 -7.338 3.544 402 HZ PHE 45 HZ PHE 45 -0.258 -9.195 5.203 403 HA PRO 46 HA PRO 46 -0.144 -7.958 -1.047 404 HB2 PRO 46 1HB PRO 46 0.192 -6.308 -3.192 405 HB3 PRO 46 2HB PRO 46 0.556 -5.791 -1.519 406 HG2 PRO 46 1HG PRO 46 2.442 -6.853 -3.608 407 HG3 PRO 46 2HG PRO 46 2.576 -5.359 -2.625 408 HD2 PRO 46 1HD PRO 46 3.849 -7.620 -1.907 409 HD3 PRO 46 2HD PRO 46 3.102 -6.552 -0.675 410 H GLN 47 H GLN 47 2.171 -9.329 -3.321 411 HA GLN 47 HA GLN 47 0.295 -9.931 -5.419 412 HB2 GLN 47 1HB GLN 47 2.955 -11.207 -4.703 413 HB3 GLN 47 2HB GLN 47 2.078 -11.451 -6.217 414 HG2 GLN 47 1HG GLN 47 2.298 -9.055 -6.745 415 HG3 GLN 47 2HG GLN 47 3.163 -8.790 -5.228 416 HE21 GLN 47 2HE2 GLN 47 4.110 -8.240 -7.884 417 HE22 GLN 47 1HE2 GLN 47 5.528 -9.230 -8.127 418 H GLU 48 H GLU 48 1.211 -11.553 -2.410 419 HA GLU 48 HA GLU 48 0.069 -14.119 -3.071 420 HB2 GLU 48 1HB GLU 48 0.569 -12.721 -0.419 421 HB3 GLU 48 2HB GLU 48 -0.072 -14.354 -0.553 422 HG2 GLU 48 1HG GLU 48 2.234 -14.383 -2.156 423 HG3 GLU 48 2HG GLU 48 2.678 -13.438 -0.723 424 H GLY 49 H GLY 49 -1.298 -11.027 -2.258 425 HA2 GLY 49 1HA GLY 49 -3.473 -10.328 -2.159 426 HA3 GLY 49 2HA GLY 49 -3.858 -11.788 -3.060 427 H THR 50 H THR 50 -2.510 -12.207 0.107 428 HA THR 50 HA THR 50 -5.215 -12.891 1.192 429 HB THR 50 HB THR 50 -2.703 -14.609 1.312 430 HG1 THR 50 HG1 THR 50 -3.712 -14.535 -0.786 431 HG21 THR 50 1HG2 THR 50 -4.322 -16.373 2.076 432 HG22 THR 50 2HG2 THR 50 -5.541 -15.089 2.258 433 HG23 THR 50 3HG2 THR 50 -4.048 -15.059 3.236 434 H ILE 51 H ILE 51 -5.444 -12.485 3.378 435 HA ILE 51 HA ILE 51 -2.956 -11.573 4.800 436 HB ILE 51 HB ILE 51 -5.831 -10.730 5.310 437 HG12 ILE 51 1HG1 ILE 51 -5.033 -9.736 3.244 438 HG13 ILE 51 2HG1 ILE 51 -5.188 -8.549 4.518 439 HG21 ILE 51 1HG2 ILE 51 -4.758 -9.029 6.845 440 HG22 ILE 51 2HG2 ILE 51 -4.553 -10.703 7.396 441 HG23 ILE 51 3HG2 ILE 51 -3.197 -9.854 6.615 442 HD11 ILE 51 3HD1 ILE 51 -2.566 -9.738 3.593 443 HD12 ILE 51 1HD1 ILE 51 -3.232 -8.172 3.109 444 HD13 ILE 51 2HD1 ILE 51 -2.783 -8.446 4.800 445 H ASP 52 H ASP 52 -2.313 -12.932 6.230 446 HA ASP 52 HA ASP 52 -4.179 -14.107 8.161 447 HB2 ASP 52 1HB ASP 52 -4.152 -15.839 6.352 448 HB3 ASP 52 2HB ASP 52 -2.384 -15.884 6.474 449 H ILE 53 H ILE 53 -2.917 -15.127 9.917 450 HA ILE 53 HA ILE 53 -0.637 -13.490 10.517 451 HB ILE 53 HB ILE 53 -2.298 -14.387 12.130 452 HG12 ILE 53 1HG1 ILE 53 -0.618 -14.959 13.915 453 HG13 ILE 53 2HG1 ILE 53 0.610 -15.019 12.664 454 HG21 ILE 53 1HG2 ILE 53 -0.818 -17.027 11.882 455 HG22 ILE 53 2HG2 ILE 53 -2.130 -16.640 13.016 456 HG23 ILE 53 3HG2 ILE 53 -2.463 -16.704 11.275 457 HD11 ILE 53 3HD1 ILE 53 0.613 -12.905 13.955 458 HD12 ILE 53 1HD1 ILE 53 0.375 -12.652 12.216 459 HD13 ILE 53 2HD1 ILE 53 -1.008 -12.554 13.333 460 H LYS 54 H LYS 54 -0.987 -16.747 9.130 461 HA LYS 54 HA LYS 54 1.800 -17.480 9.545 462 HB2 LYS 54 1HB LYS 54 -0.175 -18.384 7.423 463 HB3 LYS 54 2HB LYS 54 1.362 -19.177 7.788 464 HG2 LYS 54 1HG LYS 54 0.587 -19.916 9.934 465 HG3 LYS 54 2HG LYS 54 -0.795 -18.810 9.889 466 HD2 LYS 54 1HD LYS 54 -1.593 -20.083 7.831 467 HD3 LYS 54 2HD LYS 54 -0.406 -21.332 8.265 468 HE2 LYS 54 1HE LYS 54 -1.480 -21.666 10.421 469 HE3 LYS 54 2HE LYS 54 -2.508 -20.235 10.178 470 HZ1 LYS 54 3HZ LYS 54 -3.584 -21.362 8.351 471 HZ2 LYS 54 1HZ LYS 54 -3.713 -22.270 9.720 472 HZ3 LYS 54 2HZ LYS 54 -2.639 -22.700 8.544 473 H ARG 55 H ARG 55 0.049 -15.544 7.223 474 HA ARG 55 HA ARG 55 2.251 -15.371 5.302 475 HB2 ARG 55 1HB ARG 55 -0.354 -15.104 4.998 476 HB3 ARG 55 2HB ARG 55 -0.078 -13.444 5.515 477 HG2 ARG 55 1HG ARG 55 0.674 -12.850 3.491 478 HG3 ARG 55 2HG ARG 55 1.781 -14.236 3.398 479 HD2 ARG 55 1HD ARG 55 -1.213 -14.547 2.976 480 HD3 ARG 55 2HD ARG 55 -0.124 -14.101 1.655 481 HE ARG 55 HE ARG 55 0.865 -16.403 3.031 482 HH11 ARG 55 1HH1 ARG 55 -1.525 -15.505 0.592 483 HH12 ARG 55 2HH1 ARG 55 -1.466 -17.071 -0.156 484 HH21 ARG 55 1HH2 ARG 55 0.863 -18.363 2.018 485 HH22 ARG 55 2HH2 ARG 55 -0.152 -18.645 0.634 486 H TRP 56 H TRP 56 0.804 -13.338 7.871 487 HA TRP 56 HA TRP 56 2.597 -11.137 7.541 488 HB2 TRP 56 1HB TRP 56 0.382 -11.109 8.681 489 HB3 TRP 56 2HB TRP 56 1.095 -12.001 10.031 490 HD1 TRP 56 HD1 TRP 56 1.957 -10.492 11.938 491 HE1 TRP 56 HE1 TRP 56 2.648 -8.059 12.268 492 HE3 TRP 56 HE3 TRP 56 1.609 -9.002 7.058 493 HZ2 TRP 56 HZ2 TRP 56 3.006 -5.766 10.627 494 HZ3 TRP 56 HZ3 TRP 56 2.180 -6.637 6.486 495 HH2 TRP 56 HH2 TRP 56 2.853 -5.032 8.275 496 H ARG 57 H ARG 57 2.859 -14.089 9.541 497 HA ARG 57 HA ARG 57 5.004 -13.203 11.187 498 HB2 ARG 57 1HB ARG 57 4.073 -15.894 10.292 499 HB3 ARG 57 2HB ARG 57 5.556 -15.714 11.252 500 HG2 ARG 57 1HG ARG 57 4.389 -14.734 13.084 501 HG3 ARG 57 2HG ARG 57 2.928 -14.472 12.118 502 HD2 ARG 57 1HD ARG 57 2.648 -16.903 11.897 503 HD3 ARG 57 2HD ARG 57 4.079 -17.139 12.913 504 HE ARG 57 HE ARG 57 1.845 -15.517 14.014 505 HH11 ARG 57 1HH1 ARG 57 3.473 -18.647 14.067 506 HH12 ARG 57 2HH1 ARG 57 2.631 -19.157 15.506 507 HH21 ARG 57 1HH2 ARG 57 0.767 -16.247 15.834 508 HH22 ARG 57 2HH2 ARG 57 1.154 -17.814 16.490 509 H ARG 58 H ARG 58 5.040 -14.773 8.024 510 HA ARG 58 HA ARG 58 7.844 -14.886 7.664 511 HB2 ARG 58 1HB ARG 58 5.537 -14.572 5.750 512 HB3 ARG 58 2HB ARG 58 7.208 -14.563 5.175 513 HG2 ARG 58 1HG ARG 58 7.604 -16.750 6.089 514 HG3 ARG 58 2HG ARG 58 5.984 -16.786 6.817 515 HD2 ARG 58 1HD ARG 58 4.935 -16.751 4.639 516 HD3 ARG 58 2HD ARG 58 6.495 -16.466 3.844 517 HE ARG 58 HE ARG 58 7.011 -18.701 4.002 518 HH11 ARG 58 1HH1 ARG 58 4.225 -18.112 6.110 519 HH12 ARG 58 2HH1 ARG 58 3.959 -19.818 6.367 520 HH21 ARG 58 1HH2 ARG 58 6.604 -20.837 4.383 521 HH22 ARG 58 2HH2 ARG 58 5.288 -21.333 5.409 522 H VAL 59 H VAL 59 5.739 -12.042 7.424 523 HA VAL 59 HA VAL 59 7.627 -10.434 5.955 524 HB VAL 59 HB VAL 59 5.472 -9.555 7.939 525 HG11 VAL 59 1HG1 VAL 59 7.092 -7.789 7.462 526 HG12 VAL 59 2HG1 VAL 59 6.842 -8.015 5.718 527 HG13 VAL 59 3HG1 VAL 59 5.512 -7.428 6.747 528 HG21 VAL 59 3HG2 VAL 59 5.363 -9.963 4.938 529 HG22 VAL 59 1HG2 VAL 59 4.498 -10.901 6.178 530 HG23 VAL 59 2HG2 VAL 59 4.086 -9.199 5.916 531 H GLY 60 H GLY 60 7.023 -11.097 9.401 532 HA2 GLY 60 1HA GLY 60 9.002 -9.182 10.288 533 HA3 GLY 60 2HA GLY 60 8.203 -10.431 11.264 534 H ASP 61 H ASP 61 8.937 -12.650 9.573 535 HA ASP 61 HA ASP 61 11.536 -13.290 10.575 536 HB2 ASP 61 1HB ASP 61 10.052 -14.439 8.167 537 HB3 ASP 61 2HB ASP 61 11.445 -15.183 8.959 538 H CYS 62 H CYS 62 10.323 -11.961 7.507 539 HA CYS 62 HA CYS 62 12.788 -11.907 6.082 540 HB2 CYS 62 1HB CYS 62 10.257 -11.409 5.409 541 HB3 CYS 62 2HB CYS 62 10.725 -9.745 5.741 542 HG CYS 62 HG CYS 62 10.796 -10.024 3.209 543 H PHE 63 H PHE 63 11.192 -9.428 8.163 544 HA PHE 63 HA PHE 63 13.181 -7.415 7.745 545 HB2 PHE 63 1HB PHE 63 11.529 -7.962 10.239 546 HB3 PHE 63 2HB PHE 63 12.452 -6.498 9.941 547 HD1 PHE 63 HD2 PHE 63 11.654 -6.317 6.875 548 HD2 PHE 63 HD1 PHE 63 9.422 -6.805 10.524 549 HE1 PHE 63 HE2 PHE 63 9.687 -5.238 5.811 550 HE2 PHE 63 HE1 PHE 63 7.459 -5.701 9.465 551 HZ PHE 63 HZ PHE 63 7.587 -4.929 7.098 552 H GLN 64 H GLN 64 13.001 -10.190 9.986 553 HA GLN 64 HA GLN 64 15.233 -9.313 11.562 554 HB2 GLN 64 1HB GLN 64 13.530 -10.989 12.293 555 HB3 GLN 64 2HB GLN 64 14.226 -12.150 11.154 556 HG2 GLN 64 1HG GLN 64 15.059 -12.539 13.433 557 HG3 GLN 64 2HG GLN 64 16.374 -12.066 12.349 558 HE21 GLN 64 2HE2 GLN 64 17.764 -10.634 13.156 559 HE22 GLN 64 1HE2 GLN 64 17.376 -9.444 14.382 560 H ASP 65 H ASP 65 14.987 -11.439 8.665 561 HA ASP 65 HA ASP 65 17.787 -12.125 8.826 562 HB2 ASP 65 1HB ASP 65 15.828 -13.274 7.564 563 HB3 ASP 65 2HB ASP 65 16.216 -12.146 6.260 564 H TYR 66 H TYR 66 15.925 -9.627 7.143 565 HA TYR 66 HA TYR 66 18.097 -8.532 5.630 566 HB2 TYR 66 1HB TYR 66 15.483 -8.112 5.661 567 HB3 TYR 66 2HB TYR 66 15.898 -6.838 6.799 568 HD1 TYR 66 HD2 TYR 66 17.839 -5.169 5.924 569 HD2 TYR 66 HD1 TYR 66 15.434 -7.679 3.386 570 HE1 TYR 66 HE2 TYR 66 18.302 -3.678 3.973 571 HE2 TYR 66 HE1 TYR 66 15.915 -6.180 1.454 572 HH TYR 66 HH TYR 66 16.890 -4.224 0.762 573 H PHE 67 H PHE 67 16.888 -8.050 8.955 574 HA PHE 67 HA PHE 67 18.755 -5.947 9.651 575 HB2 PHE 67 1HB PHE 67 16.652 -6.468 10.880 576 HB3 PHE 67 2HB PHE 67 17.372 -7.979 11.439 577 HD1 PHE 67 HD2 PHE 67 19.318 -7.933 13.030 578 HD2 PHE 67 HD1 PHE 67 17.169 -4.378 11.919 579 HE1 PHE 67 HE2 PHE 67 20.285 -6.739 14.989 580 HE2 PHE 67 HE1 PHE 67 18.102 -3.187 13.882 581 HZ PHE 67 HZ PHE 67 19.678 -4.357 15.422 582 H ASN 68 H ASN 68 18.904 -9.538 9.806 583 HA ASN 68 HA ASN 68 21.324 -9.642 11.350 584 HB2 ASN 68 1HB ASN 68 20.249 -11.579 9.248 585 HB3 ASN 68 2HB ASN 68 21.605 -11.916 10.325 586 HD21 ASN 68 2HD2 ASN 68 19.140 -13.364 10.054 587 HD22 ASN 68 1HD2 ASN 68 18.381 -13.327 11.631 588 H THR 69 H THR 69 20.638 -9.223 7.915 589 HA THR 69 HA THR 69 23.315 -9.694 7.001 590 HB THR 69 HB THR 69 21.099 -8.065 5.656 591 HG1 THR 69 HG1 THR 69 20.393 -10.181 6.209 592 HG21 THR 69 1HG2 THR 69 22.181 -8.852 3.567 593 HG22 THR 69 2HG2 THR 69 23.473 -9.605 4.528 594 HG23 THR 69 3HG2 THR 69 23.278 -7.835 4.528 595 H PHE 70 H PHE 70 21.563 -6.661 7.833 596 HA PHE 70 HA PHE 70 24.169 -5.234 7.419 597 HB2 PHE 70 1HB PHE 70 21.432 -4.721 6.403 598 HB3 PHE 70 2HB PHE 70 22.375 -3.318 6.903 599 HD1 PHE 70 HD1 PHE 70 24.847 -3.195 6.005 600 HD2 PHE 70 HD2 PHE 70 21.700 -5.521 4.213 601 HE1 PHE 70 HE1 PHE 70 26.082 -3.185 3.840 602 HE2 PHE 70 HE2 PHE 70 22.927 -5.524 2.045 603 HZ PHE 70 HZ PHE 70 25.123 -4.351 1.853 604 H GLY 71 H GLY 71 22.040 -5.952 9.893 605 HA2 GLY 71 1HA GLY 71 22.049 -5.085 12.036 606 HA3 GLY 71 2HA GLY 71 23.199 -3.847 11.512 607 HA PRO 72 HA PRO 72 19.086 -1.900 12.345 608 HB2 PRO 72 1HB PRO 72 19.944 0.178 13.881 609 HB3 PRO 72 2HB PRO 72 19.709 -1.472 14.544 610 HG2 PRO 72 1HG PRO 72 22.239 -0.190 13.551 611 HG3 PRO 72 2HG PRO 72 21.928 -0.997 15.120 612 HD2 PRO 72 1HD PRO 72 23.093 -2.314 13.082 613 HD3 PRO 72 2HD PRO 72 21.893 -3.136 14.143 614 H GLU 73 H GLU 73 21.938 -0.970 10.751 615 HA GLU 73 HA GLU 73 21.176 1.714 10.009 616 HB2 GLU 73 1HB GLU 73 23.137 -0.185 8.668 617 HB3 GLU 73 2HB GLU 73 23.072 1.572 8.486 618 HG2 GLU 73 1HG GLU 73 23.811 0.003 10.982 619 HG3 GLU 73 2HG GLU 73 24.887 0.991 9.982 620 H LYS 74 H LYS 74 19.974 -1.297 9.073 621 HA LYS 74 HA LYS 74 18.993 -0.143 6.477 622 HB2 LYS 74 1HB LYS 74 20.199 -2.723 7.109 623 HB3 LYS 74 2HB LYS 74 18.618 -2.901 6.352 624 HG2 LYS 74 1HG LYS 74 20.356 -2.937 4.657 625 HG3 LYS 74 2HG LYS 74 19.346 -1.497 4.453 626 HD2 LYS 74 1HD LYS 74 21.046 -0.083 5.422 627 HD3 LYS 74 2HD LYS 74 22.006 -1.486 5.916 628 HE2 LYS 74 1HE LYS 74 22.273 -2.111 3.524 629 HE3 LYS 74 2HE LYS 74 21.398 -0.627 3.072 630 HZ1 LYS 74 3HZ LYS 74 23.780 -0.274 3.044 631 HZ2 LYS 74 1HZ LYS 74 23.923 -0.752 4.616 632 HZ3 LYS 74 2HZ LYS 74 23.110 0.635 4.250 633 H VAL 75 H VAL 75 18.135 -2.324 9.214 634 HA VAL 75 HA VAL 75 15.299 -1.479 8.699 635 HB VAL 75 HB VAL 75 16.329 -4.069 9.979 636 HG11 VAL 75 1HG1 VAL 75 14.227 -3.348 11.019 637 HG12 VAL 75 2HG1 VAL 75 13.474 -3.158 9.415 638 HG13 VAL 75 3HG1 VAL 75 13.952 -4.769 10.000 639 HG21 VAL 75 3HG2 VAL 75 16.635 -4.192 7.593 640 HG22 VAL 75 1HG2 VAL 75 15.227 -5.175 8.023 641 HG23 VAL 75 2HG2 VAL 75 14.998 -3.571 7.292 642 HA PRO 76 HA PRO 76 16.328 0.177 12.676 643 HB2 PRO 76 1HB PRO 76 13.997 1.356 13.429 644 HB3 PRO 76 2HB PRO 76 15.017 2.030 12.130 645 HG2 PRO 76 1HG PRO 76 12.573 0.324 11.903 646 HG3 PRO 76 2HG PRO 76 12.980 1.829 11.029 647 HD2 PRO 76 1HD PRO 76 13.359 -0.667 9.963 648 HD3 PRO 76 2HD PRO 76 14.422 0.729 9.572 649 H VAL 77 H VAL 77 16.013 -0.417 14.904 650 HA VAL 77 HA VAL 77 14.840 -2.985 15.328 651 HB VAL 77 HB VAL 77 15.209 -2.543 17.751 652 HG11 VAL 77 1HG1 VAL 77 17.650 -2.361 17.639 653 HG12 VAL 77 2HG1 VAL 77 17.052 -3.363 16.301 654 HG13 VAL 77 3HG1 VAL 77 17.556 -1.684 15.999 655 HG21 VAL 77 3HG2 VAL 77 16.120 0.239 16.854 656 HG22 VAL 77 1HG2 VAL 77 14.659 -0.119 17.809 657 HG23 VAL 77 2HG2 VAL 77 16.264 -0.434 18.490 658 H THR 78 H THR 78 13.449 0.205 15.306 659 HA THR 78 HA THR 78 11.160 -0.508 16.928 660 HB THR 78 HB THR 78 12.020 1.884 16.404 661 HG1 THR 78 HG1 THR 78 9.882 2.644 16.681 662 HG21 THR 78 1HG2 THR 78 11.051 3.049 14.566 663 HG22 THR 78 2HG2 THR 78 10.084 1.636 14.095 664 HG23 THR 78 3HG2 THR 78 11.850 1.618 13.892 665 H ALA 79 H ALA 79 12.061 -1.131 13.599 666 HA ALA 79 HA ALA 79 9.420 -1.225 12.508 667 HB1 ALA 79 3HB ALA 79 11.383 -1.303 11.073 668 HB2 ALA 79 1HB ALA 79 11.902 -2.838 11.806 669 HB3 ALA 79 2HB ALA 79 10.417 -2.770 10.827 670 H PHE 80 H PHE 80 11.321 -3.577 14.396 671 HA PHE 80 HA PHE 80 9.450 -5.732 14.068 672 HB2 PHE 80 1HB PHE 80 11.439 -5.173 16.294 673 HB3 PHE 80 2HB PHE 80 10.629 -6.717 15.995 674 HD1 PHE 80 HD2 PHE 80 11.099 -7.975 13.866 675 HD2 PHE 80 HD1 PHE 80 13.389 -4.537 15.060 676 HE1 PHE 80 HE2 PHE 80 12.887 -8.626 12.291 677 HE2 PHE 80 HE1 PHE 80 15.185 -5.168 13.460 678 HZ PHE 80 HZ PHE 80 14.929 -7.215 12.061 679 H SER 81 H SER 81 9.631 -2.985 16.260 680 HA SER 81 HA SER 81 7.675 -4.020 18.152 681 HB2 SER 81 1HB SER 81 9.351 -2.275 18.748 682 HB3 SER 81 2HB SER 81 8.563 -1.152 17.621 683 HG SER 81 HG SER 81 7.866 -0.924 19.818 684 H TYR 82 H TYR 82 7.653 -1.718 15.414 685 HA TYR 82 HA TYR 82 4.844 -1.154 15.472 686 HB2 TYR 82 1HB TYR 82 7.064 -0.983 13.455 687 HB3 TYR 82 2HB TYR 82 5.396 -0.901 12.870 688 HD1 TYR 82 HD1 TYR 82 7.901 0.793 15.050 689 HD2 TYR 82 HD2 TYR 82 3.999 0.976 13.264 690 HE1 TYR 82 HE1 TYR 82 7.752 3.186 15.673 691 HE2 TYR 82 HE2 TYR 82 3.866 3.439 13.867 692 HH TYR 82 HH TYR 82 5.112 5.309 14.742 693 H TRP 83 H TRP 83 6.800 -3.673 13.875 694 HA TRP 83 HA TRP 83 4.677 -4.754 12.363 695 HB2 TRP 83 1HB TRP 83 7.049 -5.281 11.969 696 HB3 TRP 83 2HB TRP 83 7.176 -6.025 13.558 697 HD1 TRP 83 HD1 TRP 83 5.649 -6.702 10.107 698 HE1 TRP 83 HE1 TRP 83 5.158 -9.182 9.853 699 HE3 TRP 83 HE3 TRP 83 6.762 -8.147 14.896 700 HZ2 TRP 83 HZ2 TRP 83 5.254 -11.464 11.497 701 HZ3 TRP 83 HZ3 TRP 83 6.591 -10.561 15.478 702 HH2 TRP 83 HH2 TRP 83 5.833 -12.216 13.774 703 H ASN 84 H ASN 84 5.839 -5.426 15.659 704 HA ASN 84 HA ASN 84 4.206 -7.712 16.170 705 HB2 ASN 84 1HB ASN 84 5.845 -5.819 17.749 706 HB3 ASN 84 2HB ASN 84 4.505 -6.556 18.634 707 HD21 ASN 84 2HD2 ASN 84 7.632 -7.016 17.327 708 HD22 ASN 84 1HD2 ASN 84 7.800 -8.700 17.781 709 H LEU 85 H LEU 85 3.532 -4.282 16.170 710 HA LEU 85 HA LEU 85 1.209 -4.293 17.822 711 HB2 LEU 85 1HB LEU 85 2.560 -2.336 16.919 712 HB3 LEU 85 2HB LEU 85 1.751 -2.568 15.385 713 HG LEU 85 HG LEU 85 0.327 -1.807 17.935 714 HD11 LEU 85 1HD1 LEU 85 1.387 -0.111 15.628 715 HD12 LEU 85 2HD1 LEU 85 1.996 -0.120 17.300 716 HD13 LEU 85 3HD1 LEU 85 0.364 0.489 16.953 717 HD21 LEU 85 3HD2 LEU 85 -0.543 -1.785 15.013 718 HD22 LEU 85 1HD2 LEU 85 -1.429 -0.978 16.326 719 HD23 LEU 85 2HD2 LEU 85 -1.247 -2.740 16.338 720 H ILE 86 H ILE 86 1.608 -4.652 14.248 721 HA ILE 86 HA ILE 86 -1.232 -5.148 13.912 722 HB ILE 86 HB ILE 86 1.034 -5.709 11.967 723 HG12 ILE 86 1HG1 ILE 86 -0.449 -3.441 11.186 724 HG13 ILE 86 2HG1 ILE 86 -0.151 -3.218 12.909 725 HG21 ILE 86 1HG2 ILE 86 -0.819 -5.483 10.262 726 HG22 ILE 86 2HG2 ILE 86 -0.999 -6.891 11.322 727 HG23 ILE 86 3HG2 ILE 86 -1.991 -5.446 11.609 728 HD11 ILE 86 3HD1 ILE 86 1.867 -3.576 10.688 729 HD12 ILE 86 1HD1 ILE 86 1.671 -2.199 11.798 730 HD13 ILE 86 2HD1 ILE 86 2.295 -3.748 12.405 731 H LYS 87 H LYS 87 1.665 -7.070 14.410 732 HA LYS 87 HA LYS 87 0.794 -9.584 13.527 733 HB2 LYS 87 1HB LYS 87 3.076 -8.989 14.381 734 HB3 LYS 87 2HB LYS 87 2.404 -8.935 16.007 735 HG2 LYS 87 1HG LYS 87 1.691 -11.410 15.483 736 HG3 LYS 87 2HG LYS 87 2.991 -11.280 14.283 737 HD2 LYS 87 1HD LYS 87 4.264 -11.910 16.098 738 HD3 LYS 87 2HD LYS 87 4.250 -10.169 16.374 739 HE2 LYS 87 1HE LYS 87 2.256 -10.429 17.862 740 HE3 LYS 87 2HE LYS 87 2.354 -12.191 17.649 741 HZ1 LYS 87 3HZ LYS 87 3.449 -11.426 19.683 742 HZ2 LYS 87 1HZ LYS 87 4.491 -10.485 18.808 743 HZ3 LYS 87 2HZ LYS 87 4.543 -12.131 18.666 744 H GLU 88 H GLU 88 0.318 -8.121 16.800 745 HA GLU 88 HA GLU 88 -1.140 -10.472 17.664 746 HB2 GLU 88 1HB GLU 88 -1.612 -9.281 19.683 747 HB3 GLU 88 2HB GLU 88 0.072 -8.998 19.231 748 HG2 GLU 88 1HG GLU 88 -0.516 -6.785 18.371 749 HG3 GLU 88 2HG GLU 88 -2.218 -7.061 18.782 750 H LEU 89 H LEU 89 -2.049 -7.581 15.925 751 HA LEU 89 HA LEU 89 -4.845 -7.715 16.603 752 HB2 LEU 89 1HB LEU 89 -3.400 -6.472 14.266 753 HB3 LEU 89 2HB LEU 89 -5.128 -6.320 14.545 754 HG LEU 89 HG LEU 89 -2.946 -5.303 16.377 755 HD11 LEU 89 1HD1 LEU 89 -4.851 -3.815 14.539 756 HD12 LEU 89 2HD1 LEU 89 -3.108 -4.046 14.276 757 HD13 LEU 89 3HD1 LEU 89 -3.674 -3.071 15.644 758 HD21 LEU 89 3HD2 LEU 89 -4.845 -5.833 17.750 759 HD22 LEU 89 1HD2 LEU 89 -5.944 -5.006 16.627 760 HD23 LEU 89 2HD2 LEU 89 -4.750 -4.075 17.554 761 H ILE 90 H ILE 90 -2.864 -9.108 13.967 762 HA ILE 90 HA ILE 90 -5.215 -10.335 12.722 763 HB ILE 90 HB ILE 90 -2.269 -11.066 12.344 764 HG12 ILE 90 1HG1 ILE 90 -3.957 -9.253 10.584 765 HG13 ILE 90 2HG1 ILE 90 -2.846 -8.647 11.813 766 HG21 ILE 90 1HG2 ILE 90 -4.716 -11.582 10.557 767 HG22 ILE 90 2HG2 ILE 90 -3.044 -12.053 10.184 768 HG23 ILE 90 3HG2 ILE 90 -3.889 -12.812 11.538 769 HD11 ILE 90 3HD1 ILE 90 -0.974 -9.890 10.660 770 HD12 ILE 90 1HD1 ILE 90 -2.107 -10.259 9.339 771 HD13 ILE 90 2HD1 ILE 90 -1.687 -8.572 9.706 772 H ASP 91 H ASP 91 -2.634 -11.315 14.981 773 HA ASP 91 HA ASP 91 -3.174 -14.109 15.054 774 HB2 ASP 91 1HB ASP 91 -1.224 -12.698 16.032 775 HB3 ASP 91 2HB ASP 91 -2.261 -12.484 17.447 776 H LYS 92 H LYS 92 -4.819 -11.376 16.484 777 HA LYS 92 HA LYS 92 -6.686 -13.220 17.934 778 HB2 LYS 92 1HB LYS 92 -5.935 -10.396 18.631 779 HB3 LYS 92 2HB LYS 92 -7.039 -11.465 19.514 780 HG2 LYS 92 1HG LYS 92 -5.105 -13.082 19.750 781 HG3 LYS 92 2HG LYS 92 -4.059 -11.770 19.152 782 HD2 LYS 92 1HD LYS 92 -5.065 -10.321 20.882 783 HD3 LYS 92 2HD LYS 92 -5.873 -11.770 21.518 784 HE2 LYS 92 1HE LYS 92 -3.710 -12.831 21.940 785 HE3 LYS 92 2HE LYS 92 -2.863 -11.487 21.144 786 HZ1 LYS 92 3HZ LYS 92 -3.632 -10.016 22.882 787 HZ2 LYS 92 1HZ LYS 92 -2.819 -11.282 23.558 788 HZ3 LYS 92 2HZ LYS 92 -4.466 -11.234 23.622 789 H LYS 93 H LYS 93 -6.941 -12.318 15.106 790 HA LYS 93 HA LYS 93 -8.558 -10.022 14.818 791 HB2 LYS 93 1HB LYS 93 -8.848 -10.664 12.613 792 HB3 LYS 93 2HB LYS 93 -7.402 -11.566 13.050 793 HG2 LYS 93 1HG LYS 93 -9.115 -13.503 13.601 794 HG3 LYS 93 2HG LYS 93 -10.229 -12.566 12.624 795 HD2 LYS 93 1HD LYS 93 -9.333 -14.149 11.158 796 HD3 LYS 93 2HD LYS 93 -8.449 -12.663 10.775 797 HE2 LYS 93 1HE LYS 93 -6.989 -14.689 10.888 798 HE3 LYS 93 2HE LYS 93 -6.518 -13.426 12.027 799 HZ1 LYS 93 3HZ LYS 93 -8.108 -15.829 12.780 800 HZ2 LYS 93 1HZ LYS 93 -7.562 -14.679 13.819 801 HZ3 LYS 93 2HZ LYS 93 -6.489 -15.653 13.040 802 H GLU 94 H GLU 94 -9.477 -13.249 15.823 803 HA GLU 94 HA GLU 94 -12.254 -13.060 15.164 804 HB2 GLU 94 1HB GLU 94 -12.289 -14.889 17.136 805 HB3 GLU 94 2HB GLU 94 -11.800 -15.242 15.484 806 HG2 GLU 94 1HG GLU 94 -9.778 -14.484 17.619 807 HG3 GLU 94 2HG GLU 94 -10.329 -16.150 17.390 808 H VAL 95 H VAL 95 -10.472 -11.813 17.899 809 HA VAL 95 HA VAL 95 -13.085 -11.148 19.212 810 HB VAL 95 HB VAL 95 -11.766 -10.788 21.293 811 HG11 VAL 95 1HG1 VAL 95 -11.372 -13.149 21.808 812 HG12 VAL 95 2HG1 VAL 95 -12.837 -12.984 20.818 813 HG13 VAL 95 3HG1 VAL 95 -11.323 -13.553 20.076 814 HG21 VAL 95 3HG2 VAL 95 -9.411 -11.983 19.754 815 HG22 VAL 95 1HG2 VAL 95 -9.565 -10.266 20.203 816 HG23 VAL 95 2HG2 VAL 95 -9.440 -11.508 21.466 817 H ASN 96 H ASN 96 -11.255 -9.927 16.960 818 HA ASN 96 HA ASN 96 -11.336 -7.161 18.097 819 HB2 ASN 96 1HB ASN 96 -9.053 -8.508 17.713 820 HB3 ASN 96 2HB ASN 96 -9.233 -7.872 16.083 821 HD21 ASN 96 2HD2 ASN 96 -7.345 -7.329 18.316 822 HD22 ASN 96 1HD2 ASN 96 -7.431 -5.601 18.559 823 HA PRO 97 HA PRO 97 -13.756 -7.725 14.235 824 HB2 PRO 97 1HB PRO 97 -15.877 -6.074 14.778 825 HB3 PRO 97 2HB PRO 97 -15.756 -7.756 15.390 826 HG2 PRO 97 1HG PRO 97 -14.998 -5.193 16.788 827 HG3 PRO 97 2HG PRO 97 -16.060 -6.520 17.365 828 HD2 PRO 97 1HD PRO 97 -13.485 -6.419 18.107 829 HD3 PRO 97 2HD PRO 97 -14.240 -7.993 17.669 830 H GLN 98 H GLN 98 -12.623 -4.760 15.742 831 HA GLN 98 HA GLN 98 -13.250 -2.993 13.579 832 HB2 GLN 98 1HB GLN 98 -11.382 -1.574 14.572 833 HB3 GLN 98 2HB GLN 98 -12.714 -1.976 15.660 834 HG2 GLN 98 1HG GLN 98 -11.319 -3.808 16.616 835 HG3 GLN 98 2HG GLN 98 -9.974 -3.246 15.618 836 HE21 GLN 98 2HE2 GLN 98 -10.575 -3.392 18.599 837 HE22 GLN 98 1HE2 GLN 98 -10.165 -1.789 19.172 838 H VAL 99 H VAL 99 -10.494 -5.177 14.274 839 HA VAL 99 HA VAL 99 -9.161 -4.209 11.875 840 HB VAL 99 HB VAL 99 -7.288 -5.468 12.427 841 HG11 VAL 99 1HG1 VAL 99 -6.818 -4.963 14.699 842 HG12 VAL 99 2HG1 VAL 99 -7.899 -3.696 14.108 843 HG13 VAL 99 3HG1 VAL 99 -8.526 -4.998 15.151 844 HG21 VAL 99 3HG2 VAL 99 -9.102 -7.319 13.985 845 HG22 VAL 99 1HG2 VAL 99 -8.114 -7.691 12.570 846 HG23 VAL 99 2HG2 VAL 99 -7.338 -7.354 14.129 847 H MET 100 H MET 100 -11.276 -6.866 12.752 848 HA MET 100 HA MET 100 -10.489 -8.668 10.719 849 HB2 MET 100 1HB MET 100 -12.423 -8.510 12.731 850 HB3 MET 100 2HB MET 100 -13.340 -8.707 11.251 851 HG2 MET 100 1HG MET 100 -11.185 -10.512 12.350 852 HG3 MET 100 2HG MET 100 -12.907 -10.877 12.207 853 HE1 MET 100 3HE MET 100 -13.708 -9.974 9.204 854 HE2 MET 100 1HE MET 100 -13.380 -11.508 8.370 855 HE3 MET 100 2HE MET 100 -14.136 -11.519 9.981 856 H ALA 101 H ALA 101 -12.838 -5.968 10.638 857 HA ALA 101 HA ALA 101 -13.724 -6.516 7.951 858 HB1 ALA 101 3HB ALA 101 -13.652 -3.922 9.538 859 HB2 ALA 101 1HB ALA 101 -14.540 -4.172 8.017 860 HB3 ALA 101 2HB ALA 101 -14.997 -5.083 9.477 861 H ALA 102 H ALA 102 -10.851 -5.014 9.296 862 HA ALA 102 HA ALA 102 -10.105 -3.696 6.794 863 HB1 ALA 102 3HB ALA 102 -8.481 -4.193 9.330 864 HB2 ALA 102 1HB ALA 102 -8.041 -3.116 7.996 865 HB3 ALA 102 2HB ALA 102 -9.457 -2.744 9.002 866 H VAL 103 H VAL 103 -9.513 -6.794 8.447 867 HA VAL 103 HA VAL 103 -7.295 -7.699 6.851 868 HB VAL 103 HB VAL 103 -9.610 -9.253 8.161 869 HG11 VAL 103 1HG1 VAL 103 -8.242 -11.281 7.960 870 HG12 VAL 103 2HG1 VAL 103 -8.634 -10.622 6.361 871 HG13 VAL 103 3HG1 VAL 103 -7.022 -10.372 7.054 872 HG21 VAL 103 3HG2 VAL 103 -8.034 -9.771 9.940 873 HG22 VAL 103 1HG2 VAL 103 -6.723 -8.934 9.074 874 HG23 VAL 103 2HG2 VAL 103 -8.093 -8.016 9.722 875 H ALA 104 H ALA 104 -10.849 -8.027 6.487 876 HA ALA 104 HA ALA 104 -10.746 -9.346 3.971 877 HB1 ALA 104 3HB ALA 104 -12.925 -7.551 5.139 878 HB2 ALA 104 1HB ALA 104 -13.124 -8.693 3.788 879 HB3 ALA 104 2HB ALA 104 -12.749 -9.303 5.418 880 H GLN 105 H GLN 105 -11.094 -5.835 4.756 881 HA GLN 105 HA GLN 105 -11.322 -5.021 2.035 882 HB2 GLN 105 1HB GLN 105 -10.751 -3.690 4.618 883 HB3 GLN 105 2HB GLN 105 -10.065 -2.898 3.192 884 HG2 GLN 105 1HG GLN 105 -12.345 -3.012 2.127 885 HG3 GLN 105 2HG GLN 105 -12.975 -3.542 3.694 886 HE21 GLN 105 2HE2 GLN 105 -13.288 -2.067 5.293 887 HE22 GLN 105 1HE2 GLN 105 -13.012 -0.345 5.101 888 H THR 106 H THR 106 -8.415 -5.628 4.043 889 HA THR 106 HA THR 106 -6.616 -4.424 2.165 890 HB THR 106 HB THR 106 -5.984 -6.761 4.013 891 HG1 THR 106 HG1 THR 106 -6.858 -5.067 5.216 892 HG21 THR 106 1HG2 THR 106 -3.734 -5.743 4.011 893 HG22 THR 106 2HG2 THR 106 -4.287 -4.526 2.841 894 HG23 THR 106 3HG2 THR 106 -4.219 -6.245 2.380 895 H GLU 107 H GLU 107 -7.870 -7.802 2.520 896 HA GLU 107 HA GLU 107 -6.419 -8.827 0.290 897 HB2 GLU 107 1HB GLU 107 -9.102 -9.635 1.448 898 HB3 GLU 107 2HB GLU 107 -8.295 -10.497 0.130 899 HG2 GLU 107 1HG GLU 107 -6.300 -10.752 1.622 900 HG3 GLU 107 2HG GLU 107 -7.280 -10.118 2.949 901 H GLU 108 H GLU 108 -9.579 -7.093 0.385 902 HA GLU 108 HA GLU 108 -10.202 -7.501 -2.394 903 HB2 GLU 108 1HB GLU 108 -10.840 -5.176 -0.536 904 HB3 GLU 108 2HB GLU 108 -11.513 -5.358 -2.152 905 HG2 GLU 108 1HG GLU 108 -12.628 -7.432 -1.471 906 HG3 GLU 108 2HG GLU 108 -11.950 -7.269 0.155 907 H ILE 109 H ILE 109 -8.491 -4.897 -0.671 908 HA ILE 109 HA ILE 109 -8.012 -3.248 -2.961 909 HB ILE 109 HB ILE 109 -6.636 -3.456 -0.239 910 HG12 ILE 109 1HG1 ILE 109 -8.478 -1.272 -1.270 911 HG13 ILE 109 2HG1 ILE 109 -9.116 -2.728 -0.517 912 HG21 ILE 109 1HG2 ILE 109 -5.704 -1.167 -0.726 913 HG22 ILE 109 2HG2 ILE 109 -5.028 -2.421 -1.775 914 HG23 ILE 109 3HG2 ILE 109 -6.274 -1.320 -2.400 915 HD11 ILE 109 3HD1 ILE 109 -7.443 -0.560 0.761 916 HD12 ILE 109 1HD1 ILE 109 -9.049 -1.157 1.232 917 HD13 ILE 109 2HD1 ILE 109 -7.618 -2.169 1.507 918 H LEU 110 H LEU 110 -6.140 -5.896 -1.475 919 HA LEU 110 HA LEU 110 -3.733 -5.438 -2.884 920 HB2 LEU 110 1HB LEU 110 -4.981 -7.575 -1.315 921 HB3 LEU 110 2HB LEU 110 -3.893 -8.182 -2.555 922 HG LEU 110 HG LEU 110 -2.038 -7.055 -1.655 923 HD11 LEU 110 1HD1 LEU 110 -2.142 -5.613 0.396 924 HD12 LEU 110 2HD1 LEU 110 -3.899 -5.531 0.179 925 HD13 LEU 110 3HD1 LEU 110 -2.813 -4.872 -1.059 926 HD21 LEU 110 3HD2 LEU 110 -2.654 -9.099 -0.482 927 HD22 LEU 110 1HD2 LEU 110 -3.713 -8.184 0.617 928 HD23 LEU 110 2HD2 LEU 110 -1.948 -7.951 0.665 929 H LYS 111 H LYS 111 -6.712 -6.909 -4.062 930 HA LYS 111 HA LYS 111 -5.466 -8.172 -6.341 931 HB2 LYS 111 1HB LYS 111 -8.315 -7.135 -6.102 932 HB3 LYS 111 2HB LYS 111 -7.730 -8.400 -7.188 933 HG2 LYS 111 1HG LYS 111 -7.852 -8.572 -4.153 934 HG3 LYS 111 2HG LYS 111 -9.003 -9.315 -5.260 935 HD2 LYS 111 1HD LYS 111 -7.658 -11.079 -5.641 936 HD3 LYS 111 2HD LYS 111 -6.239 -10.051 -5.868 937 HE2 LYS 111 1HE LYS 111 -5.880 -11.545 -3.989 938 HE3 LYS 111 2HE LYS 111 -5.925 -9.860 -3.454 939 HZ1 LYS 111 3HZ LYS 111 -8.065 -10.183 -2.544 940 HZ2 LYS 111 1HZ LYS 111 -7.137 -11.446 -2.019 941 HZ3 LYS 111 2HZ LYS 111 -8.242 -11.681 -3.225 942 H SER 112 H SER 112 -6.606 -4.919 -5.641 943 HA SER 112 HA SER 112 -6.304 -4.035 -8.437 944 HB2 SER 112 1HB SER 112 -8.025 -3.070 -6.888 945 HB3 SER 112 2HB SER 112 -6.708 -2.402 -5.903 946 HG SER 112 HG SER 112 -6.002 -1.443 -8.015 947 H ASN 113 H ASN 113 -4.412 -4.324 -5.550 948 HA ASN 113 HA ASN 113 -2.488 -2.243 -6.233 949 HB2 ASN 113 1HB ASN 113 -3.185 -3.237 -3.894 950 HB3 ASN 113 2HB ASN 113 -1.952 -4.457 -4.254 951 HD21 ASN 113 2HD2 ASN 113 -2.601 -1.030 -3.713 952 HD22 ASN 113 1HD2 ASN 113 -0.941 -0.593 -3.375 953 H SER 114 H SER 114 -0.028 -3.117 -6.100 954 HA SER 114 HA SER 114 1.641 -3.940 -7.294 955 HB2 SER 114 1HB SER 114 0.114 -6.479 -7.692 956 HB3 SER 114 2HB SER 114 1.841 -6.214 -7.403 957 HG SER 114 HG SER 114 -0.309 -6.118 -5.603 958 H GLN 115 H GLN 115 -1.048 -3.054 -8.789 959 HA GLN 115 HA GLN 115 -0.570 -4.169 -11.452 960 HB2 GLN 115 1HB GLN 115 -2.816 -3.499 -10.379 961 HB3 GLN 115 2HB GLN 115 -2.340 -1.833 -10.698 962 HG2 GLN 115 1HG GLN 115 -2.109 -2.499 -13.155 963 HG3 GLN 115 2HG GLN 115 -2.822 -4.059 -12.718 964 HE21 GLN 115 2HE2 GLN 115 -3.533 -0.657 -11.846 965 HE22 GLN 115 1HE2 GLN 115 -5.215 -0.728 -12.317 966 H THR 116 H THR 116 1.747 -3.199 -10.759 967 HA THR 116 HA THR 116 3.433 -1.715 -11.071 968 HB THR 116 HB THR 116 2.001 -0.753 -13.520 969 HG1 THR 116 HG1 THR 116 1.775 -3.031 -13.351 970 HG21 THR 116 1HG2 THR 116 4.878 -1.547 -12.951 971 HG22 THR 116 2HG2 THR 116 4.276 0.123 -12.902 972 HG23 THR 116 3HG2 THR 116 4.268 -0.780 -14.436 973 H ASP 117 H ASP 117 1.689 -0.810 -9.260 974 HA ASP 117 HA ASP 117 1.078 2.013 -9.824 975 HB2 ASP 117 1HB ASP 117 0.129 2.048 -7.574 976 HB3 ASP 117 2HB ASP 117 -0.527 0.684 -8.494 977 H LEU 118 H LEU 118 2.337 3.689 -9.202 978 HA LEU 118 HA LEU 118 4.815 3.009 -7.669 979 HB2 LEU 118 1HB LEU 118 4.512 5.085 -9.830 980 HB3 LEU 118 2HB LEU 118 5.990 4.670 -8.991 981 HG LEU 118 HG LEU 118 4.497 2.814 -10.884 982 HD11 LEU 118 1HD1 LEU 118 5.430 4.777 -12.037 983 HD12 LEU 118 2HD1 LEU 118 6.319 3.302 -12.458 984 HD13 LEU 118 3HD1 LEU 118 7.024 4.460 -11.306 985 HD21 LEU 118 3HD2 LEU 118 6.594 1.486 -10.823 986 HD22 LEU 118 1HD2 LEU 118 5.808 1.562 -9.236 987 HD23 LEU 118 2HD2 LEU 118 7.237 2.573 -9.568 988 H GLU 119 H GLU 119 5.326 4.290 -6.020 989 HA GLU 119 HA GLU 119 3.305 6.150 -5.116 990 HB2 GLU 119 1HB GLU 119 5.470 4.702 -3.947 991 HB3 GLU 119 2HB GLU 119 5.716 6.421 -3.597 992 HG2 GLU 119 1HG GLU 119 3.220 4.794 -3.019 993 HG3 GLU 119 2HG GLU 119 4.400 5.376 -1.833 994 H HIS 120 H HIS 120 3.203 8.271 -5.283 995 HA HIS 120 HA HIS 120 5.601 9.868 -5.763 996 HB2 HIS 120 1HB HIS 120 4.328 8.847 -8.014 997 HB3 HIS 120 2HB HIS 120 3.629 10.458 -7.866 998 HD1 HIS 120 HD1 HIS 120 7.064 8.752 -8.004 999 HD2 HIS 120 HD2 HIS 120 5.278 12.461 -8.845 1000 HE1 HIS 120 HE1 HIS 120 8.836 10.197 -9.163 1001 H HIS 121 H HIS 121 5.268 11.441 -4.325 1002 HA HIS 121 HA HIS 121 2.757 12.068 -3.241 1003 HB2 HIS 121 1HB HIS 121 3.947 14.260 -2.525 1004 HB3 HIS 121 2HB HIS 121 4.552 12.713 -1.922 1005 HD1 HIS 121 HD1 HIS 121 5.328 15.033 -4.927 1006 HD2 HIS 121 HD2 HIS 121 7.255 12.519 -2.169 1007 HE1 HIS 121 HE1 HIS 121 7.842 15.237 -5.354 1008 H HIS 122 H HIS 122 1.087 13.203 -3.792 1009 HA HIS 122 HA HIS 122 1.302 15.493 -5.698 1010 HB2 HIS 122 1HB HIS 122 -0.696 13.173 -5.838 1011 HB3 HIS 122 2HB HIS 122 -0.956 14.734 -6.620 1012 HD1 HIS 122 HD1 HIS 122 1.044 11.531 -6.950 1013 HD2 HIS 122 HD2 HIS 122 0.566 15.195 -8.954 1014 HE1 HIS 122 HE1 HIS 122 2.084 11.264 -9.264 1015 H HIS 123 H HIS 123 -0.779 16.857 -5.303 1016 HA HIS 123 HA HIS 123 -2.305 16.175 -2.895 1017 HB2 HIS 123 1HB HIS 123 0.038 17.819 -2.680 1018 HB3 HIS 123 2HB HIS 123 -1.362 18.878 -2.516 1019 HD1 HIS 123 HD1 HIS 123 -1.857 19.245 -0.077 1020 HD2 HIS 123 HD2 HIS 123 -0.652 15.290 -0.893 1021 HE1 HIS 123 HE1 HIS 123 -1.954 17.959 2.123 1022 H HIS 124 H HIS 124 -4.214 17.480 -2.753 1023 HA HIS 124 HA HIS 124 -4.662 19.373 -5.040 1024 HB2 HIS 124 1HB HIS 124 -5.813 16.962 -5.068 1025 HB3 HIS 124 2HB HIS 124 -6.930 17.729 -3.930 1026 HD1 HIS 124 HD1 HIS 124 -7.651 20.367 -5.016 1027 HD2 HIS 124 HD2 HIS 124 -6.831 17.149 -7.582 1028 HE1 HIS 124 HE1 HIS 124 -8.767 20.892 -7.260 1029 H HIS 125 H HIS 125 -4.040 19.234 -1.986 1030 HA HIS 125 HA HIS 125 -5.429 21.626 -1.139 1031 HB2 HIS 125 1HB HIS 125 -5.906 18.924 0.240 1032 HB3 HIS 125 2HB HIS 125 -6.001 20.460 1.107 1033 HD1 HIS 125 HD1 HIS 125 -8.403 18.289 0.448 1034 HD2 HIS 125 HD2 HIS 125 -7.798 22.099 -1.192 1035 HE1 HIS 125 HE1 HIS 125 -10.670 19.102 -0.395 Start of MODEL 28 1 H21 MYR 1 1H2 MYR 1 0.242 0.080 -1.100 2 H22 MYR 1 2H2 MYR 1 1.727 -0.144 -0.189 3 H31 MYR 1 1H3 MYR 1 -0.726 -1.971 -0.268 4 H32 MYR 1 2H3 MYR 1 0.933 -2.367 -0.686 5 H41 MYR 1 1H4 MYR 1 1.405 -1.821 1.917 6 H42 MYR 1 2H4 MYR 1 -0.336 -2.034 2.067 7 H51 MYR 1 1H5 MYR 1 0.262 -4.339 0.708 8 H52 MYR 1 2H5 MYR 1 1.826 -4.079 1.454 9 H61 MYR 1 1H6 MYR 1 -0.879 -4.435 2.855 10 H62 MYR 1 2H6 MYR 1 0.454 -5.574 2.835 11 H71 MYR 1 1H7 MYR 1 1.852 -3.812 4.122 12 H72 MYR 1 2H7 MYR 1 0.386 -2.867 4.299 13 H81 MYR 1 1H8 MYR 1 0.828 -5.701 5.379 14 H82 MYR 1 2H8 MYR 1 0.872 -4.221 6.327 15 H91 MYR 1 1H9 MYR 1 -1.563 -5.489 4.964 16 H92 MYR 1 2H9 MYR 1 -1.604 -3.840 5.581 17 H101 MYR 1 1H10 MYR 1 -1.053 -4.683 7.877 18 H102 MYR 1 2H10 MYR 1 -0.998 -6.339 7.266 19 H111 MYR 1 1H11 MYR 1 -3.495 -4.550 7.056 20 H112 MYR 1 2H11 MYR 1 -3.395 -6.267 6.665 21 H121 MYR 1 1H12 MYR 1 -2.754 -6.701 9.110 22 H122 MYR 1 2H12 MYR 1 -3.072 -5.007 9.454 23 H131 MYR 1 1H13 MYR 1 -5.180 -6.922 8.293 24 H132 MYR 1 2H13 MYR 1 -4.947 -6.674 10.015 25 H141 MYR 1 1H14 MYR 1 -6.794 -5.269 9.299 26 H142 MYR 1 2H14 MYR 1 -5.440 -4.190 9.677 27 H143 MYR 1 3H14 MYR 1 -5.844 -4.565 7.989 28 H GLY 2 H GLY 2 1.960 0.870 1.640 29 HA2 GLY 2 1HA GLY 2 -0.070 1.276 3.631 30 HA3 GLY 2 2HA GLY 2 1.550 2.006 3.609 31 H GLN 3 H GLN 3 1.511 3.434 1.253 32 HA GLN 3 HA GLN 3 0.046 5.757 2.051 33 HB2 GLN 3 1HB GLN 3 0.764 6.738 -0.059 34 HB3 GLN 3 2HB GLN 3 2.098 5.912 0.748 35 HG2 GLN 3 1HG GLN 3 1.873 4.003 -0.809 36 HG3 GLN 3 2HG GLN 3 0.525 4.823 -1.614 37 HE21 GLN 3 2HE2 GLN 3 1.075 5.726 -3.462 38 HE22 GLN 3 1HE2 GLN 3 2.611 6.478 -3.807 39 H GLU 4 H GLU 4 -0.704 3.119 -0.213 40 HA GLU 4 HA GLU 4 -2.965 4.405 -1.415 41 HB2 GLU 4 1HB GLU 4 -1.870 2.562 -2.510 42 HB3 GLU 4 2HB GLU 4 -2.109 1.515 -1.115 43 HG2 GLU 4 1HG GLU 4 -3.645 0.813 -2.743 44 HG3 GLU 4 2HG GLU 4 -4.578 1.638 -1.501 45 H LEU 5 H LEU 5 -2.596 2.266 1.441 46 HA LEU 5 HA LEU 5 -5.394 2.001 1.913 47 HB2 LEU 5 1HB LEU 5 -2.852 1.486 3.322 48 HB3 LEU 5 2HB LEU 5 -4.232 1.785 4.380 49 HG LEU 5 HG LEU 5 -5.418 -0.056 3.558 50 HD11 LEU 5 1HD1 LEU 5 -5.211 0.029 1.221 51 HD12 LEU 5 2HD1 LEU 5 -4.649 -1.562 1.750 52 HD13 LEU 5 3HD1 LEU 5 -3.462 -0.316 1.294 53 HD21 LEU 5 3HD2 LEU 5 -3.960 -1.916 4.051 54 HD22 LEU 5 1HD2 LEU 5 -3.526 -0.545 5.084 55 HD23 LEU 5 2HD2 LEU 5 -2.526 -0.935 3.661 56 H SER 6 H SER 6 -3.040 4.494 3.010 57 HA SER 6 HA SER 6 -5.024 5.895 4.583 58 HB2 SER 6 1HB SER 6 -3.298 7.850 4.018 59 HB3 SER 6 2HB SER 6 -2.948 6.582 5.207 60 HG SER 6 HG SER 6 -2.197 6.466 2.460 61 H GLN 7 H GLN 7 -4.593 5.644 1.160 62 HA GLN 7 HA GLN 7 -5.946 8.251 0.647 63 HB2 GLN 7 1HB GLN 7 -4.728 6.108 -1.114 64 HB3 GLN 7 2HB GLN 7 -5.634 7.479 -1.769 65 HG2 GLN 7 1HG GLN 7 -4.035 9.059 -0.962 66 HG3 GLN 7 2HG GLN 7 -3.224 7.848 0.028 67 HE21 GLN 7 2HE2 GLN 7 -3.975 6.289 -2.825 68 HE22 GLN 7 1HE2 GLN 7 -2.486 6.588 -3.685 69 H HIS 8 H HIS 8 -6.583 4.850 0.947 70 HA HIS 8 HA HIS 8 -9.101 4.966 -0.589 71 HB2 HIS 8 1HB HIS 8 -7.438 2.901 0.789 72 HB3 HIS 8 2HB HIS 8 -9.176 2.613 0.799 73 HD1 HIS 8 HD1 HIS 8 -6.529 3.562 -1.876 74 HD2 HIS 8 HD2 HIS 8 -9.976 1.204 -1.372 75 HE1 HIS 8 HE1 HIS 8 -6.930 2.344 -4.072 76 H GLU 9 H GLU 9 -10.237 6.631 0.570 77 HA GLU 9 HA GLU 9 -10.434 6.894 3.309 78 HB2 GLU 9 1HB GLU 9 -12.392 7.496 1.116 79 HB3 GLU 9 2HB GLU 9 -12.836 7.763 2.804 80 HG2 GLU 9 1HG GLU 9 -10.451 9.001 1.391 81 HG3 GLU 9 2HG GLU 9 -11.982 9.813 1.752 82 H ARG 10 H ARG 10 -12.361 4.536 1.416 83 HA ARG 10 HA ARG 10 -14.107 3.861 3.577 84 HB2 ARG 10 1HB ARG 10 -13.143 2.298 1.167 85 HB3 ARG 10 2HB ARG 10 -14.182 1.571 2.398 86 HG2 ARG 10 1HG ARG 10 -15.827 2.289 0.993 87 HG3 ARG 10 2HG ARG 10 -15.655 3.756 1.967 88 HD2 ARG 10 1HD ARG 10 -15.718 4.455 -0.308 89 HD3 ARG 10 2HD ARG 10 -14.028 4.603 0.203 90 HE ARG 10 HE ARG 10 -14.484 2.020 -0.949 91 HH11 ARG 10 1HH1 ARG 10 -14.171 5.390 -1.954 92 HH12 ARG 10 2HH1 ARG 10 -13.617 4.961 -3.552 93 HH21 ARG 10 1HH2 ARG 10 -13.775 1.545 -3.004 94 HH22 ARG 10 2HH2 ARG 10 -13.400 2.820 -4.132 95 H TYR 11 H TYR 11 -10.809 2.681 2.766 96 HA TYR 11 HA TYR 11 -10.768 0.758 4.915 97 HB2 TYR 11 1HB TYR 11 -9.258 0.839 2.878 98 HB3 TYR 11 2HB TYR 11 -8.433 2.209 3.628 99 HD1 TYR 11 HD2 TYR 11 -9.243 -1.393 4.002 100 HD2 TYR 11 HD1 TYR 11 -6.860 1.882 5.427 101 HE1 TYR 11 HE2 TYR 11 -7.838 -2.978 5.275 102 HE2 TYR 11 HE1 TYR 11 -5.445 0.256 6.720 103 HH TYR 11 HH TYR 11 -5.924 -3.247 6.514 104 H VAL 12 H VAL 12 -9.799 4.177 4.478 105 HA VAL 12 HA VAL 12 -8.518 4.496 6.992 106 HB VAL 12 HB VAL 12 -10.056 6.593 5.381 107 HG11 VAL 12 1HG1 VAL 12 -9.552 7.248 7.751 108 HG12 VAL 12 2HG1 VAL 12 -7.838 7.014 7.411 109 HG13 VAL 12 3HG1 VAL 12 -8.754 8.263 6.537 110 HG21 VAL 12 3HG2 VAL 12 -7.867 7.206 4.457 111 HG22 VAL 12 1HG2 VAL 12 -7.095 5.901 5.388 112 HG23 VAL 12 2HG2 VAL 12 -8.228 5.517 4.090 113 H GLU 13 H GLU 13 -12.003 4.768 6.087 114 HA GLU 13 HA GLU 13 -12.938 5.774 8.575 115 HB2 GLU 13 1HB GLU 13 -14.190 3.917 6.547 116 HB3 GLU 13 2HB GLU 13 -15.063 4.512 7.963 117 HG2 GLU 13 1HG GLU 13 -14.869 6.794 7.225 118 HG3 GLU 13 2HG GLU 13 -13.784 6.336 5.911 119 H GLN 14 H GLN 14 -12.416 2.401 7.535 120 HA GLN 14 HA GLN 14 -13.205 1.220 10.047 121 HB2 GLN 14 1HB GLN 14 -11.839 0.439 7.518 122 HB3 GLN 14 2HB GLN 14 -11.447 -0.552 8.921 123 HG2 GLN 14 1HG GLN 14 -14.336 0.021 8.362 124 HG3 GLN 14 2HG GLN 14 -13.482 -1.109 7.302 125 HE21 GLN 14 2HE2 GLN 14 -15.532 -1.195 9.728 126 HE22 GLN 14 1HE2 GLN 14 -14.928 -2.568 10.617 127 H LEU 15 H LEU 15 -10.076 2.152 8.624 128 HA LEU 15 HA LEU 15 -8.501 1.069 10.735 129 HB2 LEU 15 1HB LEU 15 -7.866 1.580 8.337 130 HB3 LEU 15 2HB LEU 15 -7.737 3.268 8.812 131 HG LEU 15 HG LEU 15 -6.005 2.556 10.496 132 HD11 LEU 15 1HD1 LEU 15 -4.847 0.379 10.057 133 HD12 LEU 15 2HD1 LEU 15 -6.186 -0.073 8.974 134 HD13 LEU 15 3HD1 LEU 15 -6.482 0.180 10.708 135 HD21 LEU 15 3HD2 LEU 15 -4.234 2.260 8.757 136 HD22 LEU 15 1HD2 LEU 15 -5.344 3.610 8.468 137 HD23 LEU 15 2HD2 LEU 15 -5.531 2.113 7.551 138 H LYS 16 H LYS 16 -10.067 4.207 10.371 139 HA LYS 16 HA LYS 16 -8.625 5.748 12.283 140 HB2 LYS 16 1HB LYS 16 -11.541 5.642 11.479 141 HB3 LYS 16 2HB LYS 16 -11.015 6.703 12.782 142 HG2 LYS 16 1HG LYS 16 -9.736 8.079 11.328 143 HG3 LYS 16 2HG LYS 16 -9.732 6.869 10.041 144 HD2 LYS 16 1HD LYS 16 -12.236 7.154 9.832 145 HD3 LYS 16 2HD LYS 16 -12.153 8.465 11.008 146 HE2 LYS 16 1HE LYS 16 -11.614 9.943 9.385 147 HE3 LYS 16 2HE LYS 16 -10.213 8.972 8.919 148 HZ1 LYS 16 3HZ LYS 16 -11.665 9.234 7.012 149 HZ2 LYS 16 1HZ LYS 16 -12.981 8.672 7.837 150 HZ3 LYS 16 2HZ LYS 16 -11.738 7.655 7.468 151 H GLN 17 H GLN 17 -11.275 3.397 12.679 152 HA GLN 17 HA GLN 17 -11.257 3.672 15.569 153 HB2 GLN 17 1HB GLN 17 -12.442 1.501 13.818 154 HB3 GLN 17 2HB GLN 17 -12.815 1.775 15.519 155 HG2 GLN 17 1HG GLN 17 -13.433 3.702 13.239 156 HG3 GLN 17 2HG GLN 17 -14.581 2.585 13.980 157 HE21 GLN 17 2HE2 GLN 17 -15.363 5.087 13.944 158 HE22 GLN 17 1HE2 GLN 17 -15.223 5.837 15.515 159 H ALA 18 H ALA 18 -9.863 1.347 13.214 160 HA ALA 18 HA ALA 18 -9.084 -0.553 15.180 161 HB1 ALA 18 3HB ALA 18 -9.226 -1.077 12.802 162 HB2 ALA 18 1HB ALA 18 -7.841 -0.001 12.474 163 HB3 ALA 18 2HB ALA 18 -7.618 -1.469 13.451 164 H LEU 19 H LEU 19 -7.260 2.307 13.915 165 HA LEU 19 HA LEU 19 -4.835 1.688 15.367 166 HB2 LEU 19 1HB LEU 19 -5.981 4.067 14.007 167 HB3 LEU 19 2HB LEU 19 -4.995 4.450 15.409 168 HG LEU 19 HG LEU 19 -3.227 2.856 14.236 169 HD11 LEU 19 1HD1 LEU 19 -4.984 3.828 11.970 170 HD12 LEU 19 2HD1 LEU 19 -4.537 2.152 12.363 171 HD13 LEU 19 3HD1 LEU 19 -3.312 3.288 11.752 172 HD21 LEU 19 3HD2 LEU 19 -2.284 4.873 13.074 173 HD22 LEU 19 1HD2 LEU 19 -2.779 5.186 14.755 174 HD23 LEU 19 2HD2 LEU 19 -3.808 5.726 13.411 175 H LYS 20 H LYS 20 -7.824 3.460 16.187 176 HA LYS 20 HA LYS 20 -6.809 4.385 18.714 177 HB2 LYS 20 1HB LYS 20 -8.596 5.534 17.467 178 HB3 LYS 20 2HB LYS 20 -9.660 4.141 17.677 179 HG2 LYS 20 1HG LYS 20 -10.296 5.859 19.255 180 HG3 LYS 20 2HG LYS 20 -9.620 4.484 20.130 181 HD2 LYS 20 1HD LYS 20 -7.387 5.762 20.172 182 HD3 LYS 20 2HD LYS 20 -8.285 7.161 19.555 183 HE2 LYS 20 1HE LYS 20 -8.134 7.341 21.961 184 HE3 LYS 20 2HE LYS 20 -9.819 6.951 21.546 185 HZ1 LYS 20 3HZ LYS 20 -7.778 4.974 22.431 186 HZ2 LYS 20 1HZ LYS 20 -9.348 4.631 22.078 187 HZ3 LYS 20 2HZ LYS 20 -8.988 5.577 23.380 188 H THR 21 H THR 21 -8.802 1.550 17.816 189 HA THR 21 HA THR 21 -9.448 0.915 20.548 190 HB THR 21 HB THR 21 -10.683 0.150 18.403 191 HG1 THR 21 HG1 THR 21 -11.417 -1.669 19.527 192 HG21 THR 21 1HG2 THR 21 -8.652 -0.940 17.356 193 HG22 THR 21 2HG2 THR 21 -10.080 -1.981 17.466 194 HG23 THR 21 3HG2 THR 21 -8.746 -2.184 18.622 195 H ARG 22 H ARG 22 -6.540 0.535 18.774 196 HA ARG 22 HA ARG 22 -5.513 -1.748 20.235 197 HB2 ARG 22 1HB ARG 22 -4.602 0.097 18.202 198 HB3 ARG 22 2HB ARG 22 -3.380 -0.025 19.469 199 HG2 ARG 22 1HG ARG 22 -4.582 -2.534 18.346 200 HG3 ARG 22 2HG ARG 22 -3.373 -1.650 17.404 201 HD2 ARG 22 1HD ARG 22 -2.244 -3.366 18.681 202 HD3 ARG 22 2HD ARG 22 -1.799 -1.780 19.319 203 HE ARG 22 HE ARG 22 -2.865 -2.254 21.324 204 HH11 ARG 22 1HH1 ARG 22 -3.650 -4.821 19.024 205 HH12 ARG 22 2HH1 ARG 22 -4.262 -5.866 20.276 206 HH21 ARG 22 1HH2 ARG 22 -3.660 -3.636 22.837 207 HH22 ARG 22 2HH2 ARG 22 -4.264 -5.208 22.391 208 H GLY 23 H GLY 23 -6.229 1.469 21.111 209 HA2 GLY 23 1HA GLY 23 -5.937 2.513 23.156 210 HA3 GLY 23 2HA GLY 23 -5.102 1.061 23.740 211 H VAL 24 H VAL 24 -3.994 2.484 20.789 212 HA VAL 24 HA VAL 24 -1.571 3.437 22.238 213 HB VAL 24 HB VAL 24 -1.471 1.317 20.741 214 HG11 VAL 24 1HG1 VAL 24 -2.802 2.237 18.847 215 HG12 VAL 24 2HG1 VAL 24 -1.500 3.394 18.505 216 HG13 VAL 24 3HG1 VAL 24 -1.209 1.653 18.334 217 HG21 VAL 24 3HG2 VAL 24 0.480 3.585 20.197 218 HG22 VAL 24 1HG2 VAL 24 0.524 2.461 21.576 219 HG23 VAL 24 2HG2 VAL 24 0.776 1.856 19.927 220 H LYS 25 H LYS 25 -0.441 5.251 21.267 221 HA LYS 25 HA LYS 25 -2.282 7.055 19.734 222 HB2 LYS 25 1HB LYS 25 -0.146 7.747 21.784 223 HB3 LYS 25 2HB LYS 25 -1.061 8.923 20.828 224 HG2 LYS 25 1HG LYS 25 -3.175 8.017 21.855 225 HG3 LYS 25 2HG LYS 25 -2.179 7.012 22.919 226 HD2 LYS 25 1HD LYS 25 -2.009 10.052 22.774 227 HD3 LYS 25 2HD LYS 25 -2.977 9.157 23.961 228 HE2 LYS 25 1HE LYS 25 -0.885 8.011 24.746 229 HE3 LYS 25 2HE LYS 25 0.054 9.040 23.644 230 HZ1 LYS 25 3HZ LYS 25 -1.645 10.017 25.875 231 HZ2 LYS 25 1HZ LYS 25 -0.780 10.976 24.850 232 HZ3 LYS 25 2HZ LYS 25 0.002 9.954 25.881 233 H VAL 26 H VAL 26 -1.474 6.200 17.749 234 HA VAL 26 HA VAL 26 1.327 7.072 17.116 235 HB VAL 26 HB VAL 26 -0.286 4.773 15.879 236 HG11 VAL 26 1HG1 VAL 26 2.538 5.771 15.276 237 HG12 VAL 26 2HG1 VAL 26 1.834 4.265 14.654 238 HG13 VAL 26 3HG1 VAL 26 1.135 5.819 14.183 239 HG21 VAL 26 3HG2 VAL 26 1.469 3.315 16.844 240 HG22 VAL 26 1HG2 VAL 26 2.220 4.731 17.618 241 HG23 VAL 26 2HG2 VAL 26 0.596 4.201 18.102 242 H LYS 27 H LYS 27 1.528 8.451 15.378 243 HA LYS 27 HA LYS 27 -0.877 9.756 14.417 244 HB2 LYS 27 1HB LYS 27 1.407 10.836 14.647 245 HB3 LYS 27 2HB LYS 27 1.945 9.872 13.267 246 HG2 LYS 27 1HG LYS 27 0.211 10.975 11.852 247 HG3 LYS 27 2HG LYS 27 -0.270 11.961 13.249 248 HD2 LYS 27 1HD LYS 27 2.050 12.879 13.361 249 HD3 LYS 27 2HD LYS 27 2.478 11.918 11.933 250 HE2 LYS 27 1HE LYS 27 2.027 14.144 11.167 251 HE3 LYS 27 2HE LYS 27 0.665 13.133 10.655 252 HZ1 LYS 27 3HZ LYS 27 -0.086 15.238 11.577 253 HZ2 LYS 27 1HZ LYS 27 0.676 14.945 13.010 254 HZ3 LYS 27 2HZ LYS 27 -0.598 14.006 12.545 255 H PHE 28 H PHE 28 -2.049 9.294 12.622 256 HA PHE 28 HA PHE 28 -2.095 6.808 11.429 257 HB2 PHE 28 1HB PHE 28 -3.431 9.261 11.199 258 HB3 PHE 28 2HB PHE 28 -2.829 8.975 9.565 259 HD1 PHE 28 HD2 PHE 28 -4.797 7.435 12.338 260 HD2 PHE 28 HD1 PHE 28 -3.941 7.458 8.123 261 HE1 PHE 28 HE2 PHE 28 -6.704 5.904 11.951 262 HE2 PHE 28 HE1 PHE 28 -5.862 5.932 7.723 263 HZ PHE 28 HZ PHE 28 -7.265 5.171 9.639 264 H ALA 29 H ALA 29 -0.462 9.701 10.063 265 HA ALA 29 HA ALA 29 0.401 8.479 7.682 266 HB1 ALA 29 3HB ALA 29 0.448 10.918 8.073 267 HB2 ALA 29 1HB ALA 29 1.747 10.706 9.279 268 HB3 ALA 29 2HB ALA 29 2.044 10.318 7.569 269 H ASP 30 H ASP 30 1.951 8.491 10.916 270 HA ASP 30 HA ASP 30 4.402 7.331 9.914 271 HB2 ASP 30 1HB ASP 30 3.959 8.677 12.118 272 HB3 ASP 30 2HB ASP 30 3.493 7.104 12.783 273 H LEU 31 H LEU 31 1.347 6.093 11.265 274 HA LEU 31 HA LEU 31 2.238 3.406 11.606 275 HB2 LEU 31 1HB LEU 31 0.159 4.359 12.569 276 HB3 LEU 31 2HB LEU 31 -0.554 4.408 10.970 277 HG LEU 31 HG LEU 31 -1.206 2.537 12.628 278 HD11 LEU 31 1HD1 LEU 31 -1.674 0.972 10.850 279 HD12 LEU 31 2HD1 LEU 31 -0.445 1.713 9.809 280 HD13 LEU 31 3HD1 LEU 31 -1.906 2.619 10.251 281 HD21 LEU 31 3HD2 LEU 31 0.066 0.510 12.574 282 HD22 LEU 31 1HD2 LEU 31 1.107 1.822 13.158 283 HD23 LEU 31 2HD2 LEU 31 1.270 1.229 11.485 284 H LEU 32 H LEU 32 0.363 4.908 8.934 285 HA LEU 32 HA LEU 32 0.540 2.564 7.283 286 HB2 LEU 32 1HB LEU 32 -0.041 5.461 6.677 287 HB3 LEU 32 2HB LEU 32 0.138 4.289 5.388 288 HG LEU 32 HG LEU 32 -2.160 4.532 5.710 289 HD11 LEU 32 1HD1 LEU 32 -1.428 2.151 5.497 290 HD12 LEU 32 2HD1 LEU 32 -2.982 2.355 6.324 291 HD13 LEU 32 3HD1 LEU 32 -1.522 1.999 7.268 292 HD21 LEU 32 3HD2 LEU 32 -3.308 4.374 7.805 293 HD22 LEU 32 1HD2 LEU 32 -2.057 5.616 7.890 294 HD23 LEU 32 2HD2 LEU 32 -1.784 4.035 8.664 295 H LYS 33 H LYS 33 2.874 5.110 7.838 296 HA LYS 33 HA LYS 33 4.454 4.672 5.475 297 HB2 LYS 33 1HB LYS 33 5.187 6.530 6.575 298 HB3 LYS 33 2HB LYS 33 4.780 5.878 8.150 299 HG2 LYS 33 1HG LYS 33 6.846 4.465 8.068 300 HG3 LYS 33 2HG LYS 33 7.305 5.321 6.574 301 HD2 LYS 33 1HD LYS 33 7.385 7.417 7.731 302 HD3 LYS 33 2HD LYS 33 6.542 6.733 9.129 303 HE2 LYS 33 1HE LYS 33 8.513 5.184 9.451 304 HE3 LYS 33 2HE LYS 33 9.384 6.178 8.256 305 HZ1 LYS 33 3HZ LYS 33 8.082 7.251 10.708 306 HZ2 LYS 33 1HZ LYS 33 9.054 8.086 9.666 307 HZ3 LYS 33 2HZ LYS 33 9.697 6.893 10.606 308 H PHE 34 H PHE 34 4.282 2.967 8.635 309 HA PHE 34 HA PHE 34 6.454 1.186 7.830 310 HB2 PHE 34 1HB PHE 34 4.588 1.272 10.179 311 HB3 PHE 34 2HB PHE 34 5.596 -0.147 9.859 312 HD1 PHE 34 HD1 PHE 34 8.067 0.012 9.856 313 HD2 PHE 34 HD2 PHE 34 5.581 3.321 10.972 314 HE1 PHE 34 HE1 PHE 34 10.049 1.157 10.843 315 HE2 PHE 34 HE2 PHE 34 7.539 4.490 11.960 316 HZ PHE 34 HZ PHE 34 9.788 3.417 11.880 317 H PHE 35 H PHE 35 2.968 1.199 7.409 318 HA PHE 35 HA PHE 35 2.754 -1.606 6.670 319 HB2 PHE 35 1HB PHE 35 1.147 0.872 6.037 320 HB3 PHE 35 2HB PHE 35 0.877 -0.605 5.123 321 HD1 PHE 35 HD1 PHE 35 1.603 -0.240 8.820 322 HD2 PHE 35 HD2 PHE 35 -1.219 -1.338 5.762 323 HE1 PHE 35 HE1 PHE 35 0.062 -1.111 10.554 324 HE2 PHE 35 HE2 PHE 35 -2.781 -2.187 7.501 325 HZ PHE 35 HZ PHE 35 -2.131 -2.096 9.904 326 H ASP 36 H ASP 36 3.824 1.368 5.041 327 HA ASP 36 HA ASP 36 4.041 0.084 2.445 328 HB2 ASP 36 1HB ASP 36 3.892 2.650 3.220 329 HB3 ASP 36 2HB ASP 36 5.653 2.508 3.081 330 H PHE 37 H PHE 37 6.107 0.400 5.259 331 HA PHE 37 HA PHE 37 8.600 -0.224 3.970 332 HB2 PHE 37 1HB PHE 37 8.408 0.737 6.249 333 HB3 PHE 37 2HB PHE 37 7.699 -0.773 6.823 334 HD1 PHE 37 HD2 PHE 37 10.800 0.618 5.242 335 HD2 PHE 37 HD1 PHE 37 9.060 -2.520 7.619 336 HE1 PHE 37 HE2 PHE 37 13.079 -0.276 5.724 337 HE2 PHE 37 HE1 PHE 37 11.334 -3.420 8.105 338 HZ PHE 37 HZ PHE 37 13.347 -2.296 7.157 339 H VAL 38 H VAL 38 6.040 -2.281 5.481 340 HA VAL 38 HA VAL 38 7.507 -4.713 4.988 341 HB VAL 38 HB VAL 38 5.898 -5.644 6.199 342 HG11 VAL 38 1HG1 VAL 38 4.057 -4.409 7.156 343 HG12 VAL 38 2HG1 VAL 38 5.546 -3.460 7.186 344 HG13 VAL 38 3HG1 VAL 38 4.286 -3.119 5.974 345 HG21 VAL 38 3HG2 VAL 38 3.835 -4.861 4.107 346 HG22 VAL 38 1HG2 VAL 38 4.790 -6.366 4.128 347 HG23 VAL 38 2HG2 VAL 38 3.604 -6.050 5.404 348 H LYS 39 H LYS 39 5.288 -2.753 3.055 349 HA LYS 39 HA LYS 39 4.887 -4.630 0.950 350 HB2 LYS 39 1HB LYS 39 3.582 -2.575 1.213 351 HB3 LYS 39 2HB LYS 39 4.992 -1.598 0.899 352 HG2 LYS 39 1HG LYS 39 4.150 -3.559 -1.207 353 HG3 LYS 39 2HG LYS 39 3.174 -2.109 -0.978 354 HD2 LYS 39 1HD LYS 39 6.163 -2.106 -1.614 355 HD3 LYS 39 2HD LYS 39 4.865 -1.842 -2.778 356 HE2 LYS 39 1HE LYS 39 5.114 0.348 -2.340 357 HE3 LYS 39 2HE LYS 39 4.271 0.025 -0.818 358 HZ1 LYS 39 3HZ LYS 39 6.452 -0.324 0.218 359 HZ2 LYS 39 1HZ LYS 39 6.327 1.190 -0.419 360 HZ3 LYS 39 2HZ LYS 39 7.221 0.028 -1.205 361 H ASP 40 H ASP 40 7.556 -2.254 1.468 362 HA ASP 40 HA ASP 40 8.671 -2.977 -1.139 363 HB2 ASP 40 1HB ASP 40 9.024 -0.840 0.668 364 HB3 ASP 40 2HB ASP 40 10.595 -1.649 0.550 365 H THR 41 H THR 41 9.298 -3.921 2.243 366 HA THR 41 HA THR 41 11.747 -5.334 1.565 367 HB THR 41 HB THR 41 10.000 -5.968 3.992 368 HG1 THR 41 HG1 THR 41 10.265 -3.715 3.953 369 HG21 THR 41 1HG2 THR 41 12.219 -6.336 5.034 370 HG22 THR 41 2HG2 THR 41 13.006 -5.948 3.496 371 HG23 THR 41 3HG2 THR 41 11.979 -7.396 3.632 372 H CYS 42 H CYS 42 8.315 -6.123 1.746 373 HA CYS 42 HA CYS 42 8.915 -8.850 0.660 374 HB2 CYS 42 1HB CYS 42 6.654 -7.938 2.478 375 HB3 CYS 42 2HB CYS 42 6.778 -9.536 1.737 376 HG CYS 42 HG CYS 42 8.970 -8.112 3.729 377 HA PRO 43 HA PRO 43 6.378 -6.347 -2.294 378 HB2 PRO 43 1HB PRO 43 7.533 -7.178 -4.622 379 HB3 PRO 43 2HB PRO 43 8.265 -5.906 -3.590 380 HG2 PRO 43 1HG PRO 43 8.900 -8.851 -3.687 381 HG3 PRO 43 2HG PRO 43 10.021 -7.455 -3.781 382 HD2 PRO 43 1HD PRO 43 9.575 -8.787 -1.460 383 HD3 PRO 43 2HD PRO 43 9.829 -7.000 -1.489 384 H TRP 44 H TRP 44 7.125 -9.700 -1.955 385 HA TRP 44 HA TRP 44 5.023 -10.694 -3.701 386 HB2 TRP 44 1HB TRP 44 5.641 -12.819 -2.281 387 HB3 TRP 44 2HB TRP 44 6.741 -12.198 -3.524 388 HD1 TRP 44 HD1 TRP 44 6.241 -11.742 0.274 389 HE1 TRP 44 HE1 TRP 44 8.498 -11.445 1.439 390 HE3 TRP 44 HE3 TRP 44 9.149 -11.794 -3.901 391 HZ2 TRP 44 HZ2 TRP 44 11.220 -11.192 0.634 392 HZ3 TRP 44 HZ3 TRP 44 11.625 -11.504 -3.650 393 HH2 TRP 44 HH2 TRP 44 12.637 -11.200 -1.388 394 H PHE 45 H PHE 45 5.093 -9.352 -0.504 395 HA PHE 45 HA PHE 45 2.975 -11.000 0.574 396 HB2 PHE 45 1HB PHE 45 4.533 -9.723 1.997 397 HB3 PHE 45 2HB PHE 45 3.832 -8.211 1.417 398 HD1 PHE 45 HD1 PHE 45 3.171 -11.293 3.393 399 HD2 PHE 45 HD2 PHE 45 1.739 -7.391 2.283 400 HE1 PHE 45 HE1 PHE 45 1.447 -11.420 5.188 401 HE2 PHE 45 HE2 PHE 45 0.006 -7.514 4.068 402 HZ PHE 45 HZ PHE 45 -0.149 -9.533 5.520 403 HA PRO 46 HA PRO 46 -0.060 -7.721 -0.733 404 HB2 PRO 46 1HB PRO 46 0.468 -5.934 -2.730 405 HB3 PRO 46 2HB PRO 46 0.806 -5.572 -1.009 406 HG2 PRO 46 1HG PRO 46 2.675 -6.609 -3.105 407 HG3 PRO 46 2HG PRO 46 2.864 -5.195 -2.023 408 HD2 PRO 46 1HD PRO 46 3.976 -7.547 -1.404 409 HD3 PRO 46 2HD PRO 46 3.215 -6.542 -0.130 410 H GLN 47 H GLN 47 2.259 -9.037 -3.018 411 HA GLN 47 HA GLN 47 0.580 -9.297 -5.298 412 HB2 GLN 47 1HB GLN 47 3.084 -9.529 -5.155 413 HB3 GLN 47 2HB GLN 47 2.845 -11.097 -4.381 414 HG2 GLN 47 1HG GLN 47 1.706 -11.925 -6.398 415 HG3 GLN 47 2HG GLN 47 1.968 -10.356 -7.178 416 HE21 GLN 47 2HE2 GLN 47 2.944 -12.339 -8.557 417 HE22 GLN 47 1HE2 GLN 47 4.674 -12.495 -8.371 418 H GLU 48 H GLU 48 1.058 -11.364 -2.436 419 HA GLU 48 HA GLU 48 -0.484 -13.588 -3.474 420 HB2 GLU 48 1HB GLU 48 0.401 -12.749 -0.699 421 HB3 GLU 48 2HB GLU 48 -0.515 -14.230 -1.002 422 HG2 GLU 48 1HG GLU 48 1.923 -13.868 -2.677 423 HG3 GLU 48 2HG GLU 48 2.203 -14.088 -0.941 424 H GLY 49 H GLY 49 -1.340 -10.506 -2.121 425 HA2 GLY 49 1HA GLY 49 -3.398 -9.581 -1.644 426 HA3 GLY 49 2HA GLY 49 -4.049 -10.810 -2.723 427 H THR 50 H THR 50 -2.431 -11.708 0.303 428 HA THR 50 HA THR 50 -5.117 -12.328 1.451 429 HB THR 50 HB THR 50 -2.783 -14.263 1.367 430 HG1 THR 50 HG1 THR 50 -3.831 -13.955 -0.687 431 HG21 THR 50 1HG2 THR 50 -4.193 -14.628 3.334 432 HG22 THR 50 2HG2 THR 50 -4.561 -15.887 2.128 433 HG23 THR 50 3HG2 THR 50 -5.666 -14.513 2.334 434 H ILE 51 H ILE 51 -5.298 -11.946 3.590 435 HA ILE 51 HA ILE 51 -2.767 -11.199 5.025 436 HB ILE 51 HB ILE 51 -5.597 -10.236 5.526 437 HG12 ILE 51 1HG1 ILE 51 -4.744 -9.322 3.430 438 HG13 ILE 51 2HG1 ILE 51 -4.942 -8.137 4.688 439 HG21 ILE 51 1HG2 ILE 51 -2.925 -9.419 6.780 440 HG22 ILE 51 2HG2 ILE 51 -4.459 -8.540 6.995 441 HG23 ILE 51 3HG2 ILE 51 -4.299 -10.201 7.596 442 HD11 ILE 51 3HD1 ILE 51 -2.598 -7.931 5.022 443 HD12 ILE 51 1HD1 ILE 51 -2.287 -9.277 3.889 444 HD13 ILE 51 2HD1 ILE 51 -2.978 -7.753 3.299 445 H ASP 52 H ASP 52 -2.208 -12.642 6.368 446 HA ASP 52 HA ASP 52 -4.094 -13.736 8.344 447 HB2 ASP 52 1HB ASP 52 -4.257 -15.388 6.495 448 HB3 ASP 52 2HB ASP 52 -2.495 -15.573 6.544 449 H ILE 53 H ILE 53 -2.958 -14.877 10.066 450 HA ILE 53 HA ILE 53 -0.570 -13.470 10.768 451 HB ILE 53 HB ILE 53 -2.350 -14.306 12.302 452 HG12 ILE 53 1HG1 ILE 53 -0.801 -15.037 14.141 453 HG13 ILE 53 2HG1 ILE 53 0.487 -15.167 12.947 454 HG21 ILE 53 1HG2 ILE 53 -2.634 -16.584 11.353 455 HG22 ILE 53 2HG2 ILE 53 -1.044 -17.039 12.020 456 HG23 ILE 53 3HG2 ILE 53 -2.378 -16.598 13.108 457 HD11 ILE 53 3HD1 ILE 53 0.542 -13.073 14.302 458 HD12 ILE 53 1HD1 ILE 53 0.470 -12.783 12.554 459 HD13 ILE 53 2HD1 ILE 53 -0.992 -12.587 13.554 460 H LYS 54 H LYS 54 -1.103 -16.669 9.285 461 HA LYS 54 HA LYS 54 1.577 -17.641 9.806 462 HB2 LYS 54 1HB LYS 54 -0.321 -18.282 7.519 463 HB3 LYS 54 2HB LYS 54 1.099 -19.234 7.963 464 HG2 LYS 54 1HG LYS 54 0.077 -19.989 9.999 465 HG3 LYS 54 2HG LYS 54 -1.184 -18.747 9.903 466 HD2 LYS 54 1HD LYS 54 -1.903 -19.841 7.701 467 HD3 LYS 54 2HD LYS 54 -0.904 -21.227 8.188 468 HE2 LYS 54 1HE LYS 54 -2.227 -21.506 10.222 469 HE3 LYS 54 2HE LYS 54 -3.094 -19.985 9.909 470 HZ1 LYS 54 3HZ LYS 54 -4.409 -21.901 9.255 471 HZ2 LYS 54 1HZ LYS 54 -3.245 -22.398 8.196 472 HZ3 LYS 54 2HZ LYS 54 -4.047 -20.979 7.937 473 H ARG 55 H ARG 55 0.083 -15.593 7.368 474 HA ARG 55 HA ARG 55 2.465 -15.538 5.669 475 HB2 ARG 55 1HB ARG 55 -0.041 -13.813 5.707 476 HB3 ARG 55 2HB ARG 55 1.192 -13.813 4.437 477 HG2 ARG 55 1HG ARG 55 0.701 -16.183 3.966 478 HG3 ARG 55 2HG ARG 55 -0.556 -16.183 5.218 479 HD2 ARG 55 1HD ARG 55 -1.910 -14.674 4.023 480 HD3 ARG 55 2HD ARG 55 -0.579 -14.184 2.966 481 HE ARG 55 HE ARG 55 -2.326 -16.486 2.632 482 HH11 ARG 55 1HH1 ARG 55 0.826 -15.170 1.818 483 HH12 ARG 55 2HH1 ARG 55 0.961 -16.117 0.347 484 HH21 ARG 55 1HH2 ARG 55 -2.110 -17.628 0.688 485 HH22 ARG 55 2HH2 ARG 55 -0.667 -17.436 -0.280 486 H TRP 56 H TRP 56 0.951 -13.498 8.157 487 HA TRP 56 HA TRP 56 2.677 -11.258 7.861 488 HB2 TRP 56 1HB TRP 56 0.508 -11.416 9.160 489 HB3 TRP 56 2HB TRP 56 1.410 -12.239 10.439 490 HD1 TRP 56 HD1 TRP 56 2.287 -10.627 12.251 491 HE1 TRP 56 HE1 TRP 56 2.878 -8.156 12.463 492 HE3 TRP 56 HE3 TRP 56 1.442 -9.295 7.392 493 HZ2 TRP 56 HZ2 TRP 56 3.010 -5.901 10.732 494 HZ3 TRP 56 HZ3 TRP 56 1.839 -6.930 6.715 495 HH2 TRP 56 HH2 TRP 56 2.599 -5.245 8.389 496 H ARG 57 H ARG 57 3.070 -14.328 9.606 497 HA ARG 57 HA ARG 57 5.366 -13.582 11.126 498 HB2 ARG 57 1HB ARG 57 4.283 -16.187 10.124 499 HB3 ARG 57 2HB ARG 57 5.841 -16.114 10.972 500 HG2 ARG 57 1HG ARG 57 4.892 -15.489 12.986 501 HG3 ARG 57 2HG ARG 57 3.519 -14.683 12.215 502 HD2 ARG 57 1HD ARG 57 2.534 -16.846 11.640 503 HD3 ARG 57 2HD ARG 57 3.900 -17.678 12.416 504 HE ARG 57 HE ARG 57 2.770 -15.852 14.276 505 HH11 ARG 57 1HH1 ARG 57 1.844 -18.859 12.692 506 HH12 ARG 57 2HH1 ARG 57 0.719 -19.287 13.955 507 HH21 ARG 57 1HH2 ARG 57 1.292 -16.451 15.846 508 HH22 ARG 57 2HH2 ARG 57 0.421 -17.949 15.707 509 H ARG 58 H ARG 58 5.147 -14.906 7.822 510 HA ARG 58 HA ARG 58 7.924 -15.036 7.288 511 HB2 ARG 58 1HB ARG 58 5.670 -14.221 5.415 512 HB3 ARG 58 2HB ARG 58 7.310 -14.603 4.908 513 HG2 ARG 58 1HG ARG 58 7.049 -16.903 5.726 514 HG3 ARG 58 2HG ARG 58 5.377 -16.535 6.221 515 HD2 ARG 58 1HD ARG 58 4.805 -15.937 3.906 516 HD3 ARG 58 2HD ARG 58 6.479 -16.226 3.399 517 HE ARG 58 HE ARG 58 5.550 -18.603 4.585 518 HH11 ARG 58 1HH1 ARG 58 4.860 -16.680 1.699 519 HH12 ARG 58 2HH1 ARG 58 4.322 -18.061 0.784 520 HH21 ARG 58 1HH2 ARG 58 4.871 -20.330 3.343 521 HH22 ARG 58 2HH2 ARG 58 4.347 -20.089 1.697 522 H VAL 59 H VAL 59 5.822 -12.184 7.405 523 HA VAL 59 HA VAL 59 7.625 -10.437 5.993 524 HB VAL 59 HB VAL 59 5.512 -9.752 8.091 525 HG11 VAL 59 1HG1 VAL 59 5.455 -7.561 7.048 526 HG12 VAL 59 2HG1 VAL 59 7.066 -7.913 7.691 527 HG13 VAL 59 3HG1 VAL 59 6.769 -8.035 5.942 528 HG21 VAL 59 3HG2 VAL 59 4.510 -11.003 6.278 529 HG22 VAL 59 1HG2 VAL 59 4.053 -9.298 6.138 530 HG23 VAL 59 2HG2 VAL 59 5.313 -9.968 5.074 531 H GLY 60 H GLY 60 7.151 -11.320 9.412 532 HA2 GLY 60 1HA GLY 60 9.061 -9.363 10.350 533 HA3 GLY 60 2HA GLY 60 8.351 -10.701 11.280 534 H ASP 61 H ASP 61 9.125 -12.782 9.450 535 HA ASP 61 HA ASP 61 11.772 -13.373 10.332 536 HB2 ASP 61 1HB ASP 61 10.267 -14.433 7.896 537 HB3 ASP 61 2HB ASP 61 11.689 -15.182 8.633 538 H CYS 62 H CYS 62 10.430 -11.963 7.349 539 HA CYS 62 HA CYS 62 12.840 -11.749 5.866 540 HB2 CYS 62 1HB CYS 62 10.265 -11.278 5.327 541 HB3 CYS 62 2HB CYS 62 10.730 -9.620 5.687 542 HG CYS 62 HG CYS 62 10.674 -9.855 3.142 543 H PHE 63 H PHE 63 11.272 -9.399 8.111 544 HA PHE 63 HA PHE 63 13.206 -7.329 7.740 545 HB2 PHE 63 1HB PHE 63 11.689 -8.067 10.273 546 HB3 PHE 63 2HB PHE 63 12.567 -6.565 10.019 547 HD1 PHE 63 HD1 PHE 63 11.603 -6.237 7.012 548 HD2 PHE 63 HD2 PHE 63 9.587 -6.977 10.741 549 HE1 PHE 63 HE1 PHE 63 9.569 -5.124 6.128 550 HE2 PHE 63 HE2 PHE 63 7.549 -5.857 9.857 551 HZ PHE 63 HZ PHE 63 7.542 -4.924 7.556 552 H GLN 64 H GLN 64 13.176 -10.225 9.833 553 HA GLN 64 HA GLN 64 15.469 -9.390 11.350 554 HB2 GLN 64 1HB GLN 64 13.703 -11.147 11.959 555 HB3 GLN 64 2HB GLN 64 14.581 -12.249 10.893 556 HG2 GLN 64 1HG GLN 64 15.396 -12.702 13.054 557 HG3 GLN 64 2HG GLN 64 16.658 -11.720 12.300 558 HE21 GLN 64 2HE2 GLN 64 14.375 -11.984 14.852 559 HE22 GLN 64 1HE2 GLN 64 14.732 -10.459 15.627 560 H ASP 65 H ASP 65 15.074 -11.559 8.500 561 HA ASP 65 HA ASP 65 17.834 -12.281 8.341 562 HB2 ASP 65 1HB ASP 65 15.644 -12.044 6.251 563 HB3 ASP 65 2HB ASP 65 17.280 -12.599 5.859 564 H TYR 66 H TYR 66 16.001 -9.554 6.930 565 HA TYR 66 HA TYR 66 18.221 -8.479 5.470 566 HB2 TYR 66 1HB TYR 66 15.597 -7.985 5.518 567 HB3 TYR 66 2HB TYR 66 16.098 -6.691 6.595 568 HD1 TYR 66 HD2 TYR 66 18.562 -5.614 5.420 569 HD2 TYR 66 HD1 TYR 66 15.092 -7.185 3.412 570 HE1 TYR 66 HE2 TYR 66 19.122 -4.291 3.402 571 HE2 TYR 66 HE1 TYR 66 15.646 -5.815 1.404 572 HH TYR 66 HH TYR 66 17.132 -4.389 0.438 573 H PHE 67 H PHE 67 16.997 -7.957 8.803 574 HA PHE 67 HA PHE 67 18.841 -5.860 9.493 575 HB2 PHE 67 1HB PHE 67 16.787 -6.469 10.774 576 HB3 PHE 67 2HB PHE 67 17.564 -7.972 11.275 577 HD1 PHE 67 HD1 PHE 67 19.574 -7.899 12.795 578 HD2 PHE 67 HD2 PHE 67 17.253 -4.396 11.876 579 HE1 PHE 67 HE1 PHE 67 20.563 -6.730 14.757 580 HE2 PHE 67 HE2 PHE 67 18.209 -3.232 13.844 581 HZ PHE 67 HZ PHE 67 19.882 -4.389 15.289 582 H ASN 68 H ASN 68 19.066 -9.443 9.648 583 HA ASN 68 HA ASN 68 21.595 -9.447 11.034 584 HB2 ASN 68 1HB ASN 68 20.244 -11.488 9.228 585 HB3 ASN 68 2HB ASN 68 21.771 -11.788 10.067 586 HD21 ASN 68 2HD2 ASN 68 19.036 -13.004 10.290 587 HD22 ASN 68 1HD2 ASN 68 18.687 -12.918 11.998 588 H THR 69 H THR 69 20.698 -9.088 7.644 589 HA THR 69 HA THR 69 23.277 -9.760 6.576 590 HB THR 69 HB THR 69 21.139 -7.962 5.323 591 HG1 THR 69 HG1 THR 69 20.355 -10.069 5.979 592 HG21 THR 69 1HG2 THR 69 22.056 -8.806 3.194 593 HG22 THR 69 2HG2 THR 69 23.285 -9.734 4.081 594 HG23 THR 69 3HG2 THR 69 23.314 -7.957 4.118 595 H PHE 70 H PHE 70 21.818 -6.600 7.499 596 HA PHE 70 HA PHE 70 24.515 -5.382 6.996 597 HB2 PHE 70 1HB PHE 70 21.847 -4.698 5.991 598 HB3 PHE 70 2HB PHE 70 22.739 -3.325 6.653 599 HD1 PHE 70 HD1 PHE 70 24.854 -2.571 5.668 600 HD2 PHE 70 HD2 PHE 70 22.599 -5.812 3.958 601 HE1 PHE 70 HE1 PHE 70 26.178 -2.375 3.571 602 HE2 PHE 70 HE2 PHE 70 23.917 -5.629 1.851 603 HZ PHE 70 HZ PHE 70 25.717 -3.909 1.654 604 H GLY 71 H GLY 71 22.298 -5.942 9.487 605 HA2 GLY 71 1HA GLY 71 22.519 -5.144 11.665 606 HA3 GLY 71 2HA GLY 71 23.636 -3.895 11.101 607 HA PRO 72 HA PRO 72 19.462 -2.132 12.164 608 HB2 PRO 72 1HB PRO 72 20.275 -0.148 13.850 609 HB3 PRO 72 2HB PRO 72 20.114 -1.853 14.380 610 HG2 PRO 72 1HG PRO 72 22.579 -0.405 13.445 611 HG3 PRO 72 2HG PRO 72 22.327 -1.338 14.956 612 HD2 PRO 72 1HD PRO 72 23.495 -2.468 12.816 613 HD3 PRO 72 2HD PRO 72 22.323 -3.399 13.818 614 H GLU 73 H GLU 73 22.229 -0.864 10.553 615 HA GLU 73 HA GLU 73 21.157 1.784 10.059 616 HB2 GLU 73 1HB GLU 73 22.892 1.961 8.375 617 HB3 GLU 73 2HB GLU 73 23.557 1.281 9.863 618 HG2 GLU 73 1HG GLU 73 23.528 -0.960 8.890 619 HG3 GLU 73 2HG GLU 73 22.778 -0.337 7.412 620 H LYS 74 H LYS 74 20.574 -1.400 8.762 621 HA LYS 74 HA LYS 74 19.290 -0.226 6.360 622 HB2 LYS 74 1HB LYS 74 20.497 -2.789 7.071 623 HB3 LYS 74 2HB LYS 74 18.936 -2.983 6.267 624 HG2 LYS 74 1HG LYS 74 21.239 -1.327 5.173 625 HG3 LYS 74 2HG LYS 74 20.860 -2.994 4.701 626 HD2 LYS 74 1HD LYS 74 18.560 -2.203 4.044 627 HD3 LYS 74 2HD LYS 74 19.138 -0.539 4.266 628 HE2 LYS 74 1HE LYS 74 20.881 -0.878 2.601 629 HE3 LYS 74 2HE LYS 74 20.445 -2.596 2.451 630 HZ1 LYS 74 3HZ LYS 74 18.304 -1.959 1.618 631 HZ2 LYS 74 1HZ LYS 74 19.464 -1.227 0.701 632 HZ3 LYS 74 2HZ LYS 74 18.625 -0.352 1.823 633 H VAL 75 H VAL 75 18.438 -2.118 9.260 634 HA VAL 75 HA VAL 75 15.587 -1.484 8.591 635 HB VAL 75 HB VAL 75 16.674 -4.026 9.908 636 HG11 VAL 75 1HG1 VAL 75 14.536 -3.402 10.934 637 HG12 VAL 75 2HG1 VAL 75 13.792 -3.210 9.327 638 HG13 VAL 75 3HG1 VAL 75 14.314 -4.814 9.890 639 HG21 VAL 75 3HG2 VAL 75 17.016 -4.160 7.534 640 HG22 VAL 75 1HG2 VAL 75 15.612 -5.160 7.941 641 HG23 VAL 75 2HG2 VAL 75 15.374 -3.559 7.204 642 HA PRO 76 HA PRO 76 16.287 0.242 12.614 643 HB2 PRO 76 1HB PRO 76 13.863 1.319 13.176 644 HB3 PRO 76 2HB PRO 76 14.931 2.024 11.944 645 HG2 PRO 76 1HG PRO 76 12.593 0.208 11.575 646 HG3 PRO 76 2HG PRO 76 12.994 1.717 10.705 647 HD2 PRO 76 1HD PRO 76 13.556 -0.780 9.720 648 HD3 PRO 76 2HD PRO 76 14.570 0.661 9.364 649 H VAL 77 H VAL 77 15.862 -0.370 14.804 650 HA VAL 77 HA VAL 77 14.672 -2.944 15.154 651 HB VAL 77 HB VAL 77 14.921 -2.519 17.591 652 HG11 VAL 77 1HG1 VAL 77 17.362 -1.683 15.957 653 HG12 VAL 77 2HG1 VAL 77 17.369 -2.377 17.593 654 HG13 VAL 77 3HG1 VAL 77 16.820 -3.357 16.219 655 HG21 VAL 77 3HG2 VAL 77 14.400 -0.091 17.633 656 HG22 VAL 77 1HG2 VAL 77 15.964 -0.431 18.390 657 HG23 VAL 77 2HG2 VAL 77 15.911 0.251 16.752 658 H THR 78 H THR 78 13.297 0.276 15.119 659 HA THR 78 HA THR 78 10.937 -0.407 16.617 660 HB THR 78 HB THR 78 11.717 1.984 16.068 661 HG1 THR 78 HG1 THR 78 9.714 1.502 17.038 662 HG21 THR 78 1HG2 THR 78 11.824 1.614 13.580 663 HG22 THR 78 2HG2 THR 78 10.914 3.037 14.109 664 HG23 THR 78 3HG2 THR 78 10.049 1.574 13.601 665 H ALA 79 H ALA 79 11.976 -1.173 13.370 666 HA ALA 79 HA ALA 79 9.349 -1.429 12.232 667 HB1 ALA 79 3HB ALA 79 10.464 -2.933 10.607 668 HB2 ALA 79 1HB ALA 79 11.359 -1.419 10.854 669 HB3 ALA 79 2HB ALA 79 11.928 -2.921 11.619 670 H PHE 80 H PHE 80 11.157 -3.453 14.511 671 HA PHE 80 HA PHE 80 9.502 -5.826 13.947 672 HB2 PHE 80 1HB PHE 80 11.498 -5.210 16.163 673 HB3 PHE 80 2HB PHE 80 10.721 -6.775 15.894 674 HD1 PHE 80 HD2 PHE 80 11.300 -8.151 13.913 675 HD2 PHE 80 HD1 PHE 80 13.331 -4.460 14.766 676 HE1 PHE 80 HE2 PHE 80 13.117 -8.792 12.349 677 HE2 PHE 80 HE1 PHE 80 15.154 -5.082 13.195 678 HZ PHE 80 HZ PHE 80 15.049 -7.261 11.981 679 H SER 81 H SER 81 9.759 -3.102 16.089 680 HA SER 81 HA SER 81 7.863 -3.959 18.058 681 HB2 SER 81 1HB SER 81 8.361 -1.082 17.313 682 HB3 SER 81 2HB SER 81 8.195 -1.828 18.897 683 HG SER 81 HG SER 81 10.219 -2.823 18.589 684 H TYR 82 H TYR 82 7.685 -1.912 15.125 685 HA TYR 82 HA TYR 82 4.866 -1.409 15.267 686 HB2 TYR 82 1HB TYR 82 7.034 -1.186 13.228 687 HB3 TYR 82 2HB TYR 82 5.390 -1.360 12.599 688 HD1 TYR 82 HD2 TYR 82 3.642 0.306 13.083 689 HD2 TYR 82 HD1 TYR 82 7.711 0.900 14.402 690 HE1 TYR 82 HE2 TYR 82 3.172 2.714 13.499 691 HE2 TYR 82 HE1 TYR 82 7.223 3.305 14.814 692 HH TYR 82 HH TYR 82 5.581 5.074 14.307 693 H TRP 83 H TRP 83 6.831 -3.937 13.650 694 HA TRP 83 HA TRP 83 4.749 -5.260 12.304 695 HB2 TRP 83 1HB TRP 83 7.153 -5.780 12.046 696 HB3 TRP 83 2HB TRP 83 7.196 -6.432 13.681 697 HD1 TRP 83 HD1 TRP 83 5.874 -7.273 10.190 698 HE1 TRP 83 HE1 TRP 83 5.276 -9.741 10.044 699 HE3 TRP 83 HE3 TRP 83 6.543 -8.478 15.132 700 HZ2 TRP 83 HZ2 TRP 83 5.101 -11.920 11.829 701 HZ3 TRP 83 HZ3 TRP 83 6.195 -10.832 15.838 702 HH2 TRP 83 HH2 TRP 83 5.469 -12.548 14.183 703 H ASN 84 H ASN 84 5.860 -5.609 15.675 704 HA ASN 84 HA ASN 84 4.164 -7.822 16.289 705 HB2 ASN 84 1HB ASN 84 5.842 -5.900 17.792 706 HB3 ASN 84 2HB ASN 84 4.519 -6.648 18.700 707 HD21 ASN 84 2HD2 ASN 84 7.644 -7.073 17.396 708 HD22 ASN 84 1HD2 ASN 84 7.820 -8.765 17.819 709 H LEU 85 H LEU 85 3.524 -4.353 16.197 710 HA LEU 85 HA LEU 85 1.189 -4.425 17.888 711 HB2 LEU 85 1HB LEU 85 2.504 -2.387 17.255 712 HB3 LEU 85 2HB LEU 85 1.870 -2.519 15.615 713 HG LEU 85 HG LEU 85 -0.264 -2.532 17.607 714 HD11 LEU 85 1HD1 LEU 85 -0.030 -0.201 18.310 715 HD12 LEU 85 2HD1 LEU 85 1.532 -0.084 17.467 716 HD13 LEU 85 3HD1 LEU 85 1.346 -1.166 18.870 717 HD21 LEU 85 3HD2 LEU 85 -1.151 -0.742 16.147 718 HD22 LEU 85 1HD2 LEU 85 -0.627 -2.151 15.203 719 HD23 LEU 85 2HD2 LEU 85 0.396 -0.694 15.266 720 H ILE 86 H ILE 86 1.725 -4.753 14.362 721 HA ILE 86 HA ILE 86 -1.133 -5.097 13.869 722 HB ILE 86 HB ILE 86 1.223 -5.698 12.066 723 HG12 ILE 86 1HG1 ILE 86 -0.314 -3.442 11.229 724 HG13 ILE 86 2HG1 ILE 86 0.041 -3.213 12.940 725 HG21 ILE 86 1HG2 ILE 86 -0.721 -6.919 11.300 726 HG22 ILE 86 2HG2 ILE 86 -1.781 -5.515 11.559 727 HG23 ILE 86 3HG2 ILE 86 -0.552 -5.493 10.259 728 HD11 ILE 86 3HD1 ILE 86 1.829 -2.210 11.795 729 HD12 ILE 86 1HD1 ILE 86 2.459 -3.775 12.352 730 HD13 ILE 86 2HD1 ILE 86 1.974 -3.568 10.655 731 H LYS 87 H LYS 87 1.695 -7.102 14.506 732 HA LYS 87 HA LYS 87 0.686 -9.602 13.680 733 HB2 LYS 87 1HB LYS 87 3.019 -9.162 14.470 734 HB3 LYS 87 2HB LYS 87 2.389 -8.957 16.100 735 HG2 LYS 87 1HG LYS 87 1.426 -11.404 15.565 736 HG3 LYS 87 2HG LYS 87 2.881 -11.407 14.559 737 HD2 LYS 87 1HD LYS 87 3.869 -12.053 16.531 738 HD3 LYS 87 2HD LYS 87 3.924 -10.318 16.781 739 HE2 LYS 87 1HE LYS 87 3.067 -11.364 18.804 740 HE3 LYS 87 2HE LYS 87 1.790 -10.400 18.053 741 HZ1 LYS 87 3HZ LYS 87 0.935 -12.531 18.797 742 HZ2 LYS 87 1HZ LYS 87 2.028 -13.359 17.887 743 HZ3 LYS 87 2HZ LYS 87 0.849 -12.472 17.155 744 H GLU 88 H GLU 88 0.399 -7.986 16.920 745 HA GLU 88 HA GLU 88 -1.224 -10.140 17.916 746 HB2 GLU 88 1HB GLU 88 -1.724 -8.739 19.792 747 HB3 GLU 88 2HB GLU 88 -0.005 -8.628 19.407 748 HG2 GLU 88 1HG GLU 88 -0.306 -6.450 18.408 749 HG3 GLU 88 2HG GLU 88 -2.062 -6.568 18.567 750 H LEU 89 H LEU 89 -2.018 -7.289 16.004 751 HA LEU 89 HA LEU 89 -4.828 -7.338 16.567 752 HB2 LEU 89 1HB LEU 89 -3.156 -6.203 14.354 753 HB3 LEU 89 2HB LEU 89 -4.904 -6.210 14.230 754 HG LEU 89 HG LEU 89 -3.401 -4.925 16.533 755 HD11 LEU 89 1HD1 LEU 89 -2.799 -3.802 14.449 756 HD12 LEU 89 2HD1 LEU 89 -3.899 -2.775 15.385 757 HD13 LEU 89 3HD1 LEU 89 -4.511 -3.679 13.983 758 HD21 LEU 89 3HD2 LEU 89 -6.297 -4.775 15.597 759 HD22 LEU 89 1HD2 LEU 89 -5.592 -3.707 16.820 760 HD23 LEU 89 2HD2 LEU 89 -5.700 -5.450 17.127 761 H ILE 90 H ILE 90 -2.856 -8.898 14.009 762 HA ILE 90 HA ILE 90 -5.219 -10.145 12.824 763 HB ILE 90 HB ILE 90 -2.282 -10.961 12.504 764 HG12 ILE 90 1HG1 ILE 90 -3.931 -9.206 10.642 765 HG13 ILE 90 2HG1 ILE 90 -2.818 -8.554 11.845 766 HG21 ILE 90 1HG2 ILE 90 -3.075 -12.028 10.393 767 HG22 ILE 90 2HG2 ILE 90 -3.943 -12.703 11.778 768 HG23 ILE 90 3HG2 ILE 90 -4.736 -11.502 10.734 769 HD11 ILE 90 3HD1 ILE 90 -1.681 -8.606 9.698 770 HD12 ILE 90 1HD1 ILE 90 -0.936 -9.822 10.756 771 HD13 ILE 90 2HD1 ILE 90 -2.063 -10.324 9.474 772 H ASP 91 H ASP 91 -2.684 -11.055 15.141 773 HA ASP 91 HA ASP 91 -3.217 -13.831 15.375 774 HB2 ASP 91 1HB ASP 91 -1.291 -12.404 16.299 775 HB3 ASP 91 2HB ASP 91 -2.359 -11.993 17.644 776 H LYS 92 H LYS 92 -4.840 -11.016 16.774 777 HA LYS 92 HA LYS 92 -6.779 -12.884 18.086 778 HB2 LYS 92 1HB LYS 92 -6.023 -10.060 18.914 779 HB3 LYS 92 2HB LYS 92 -7.189 -11.103 19.733 780 HG2 LYS 92 1HG LYS 92 -4.216 -11.698 19.458 781 HG3 LYS 92 2HG LYS 92 -4.994 -11.009 20.888 782 HD2 LYS 92 1HD LYS 92 -6.341 -13.044 21.188 783 HD3 LYS 92 2HD LYS 92 -5.687 -13.731 19.693 784 HE2 LYS 92 1HE LYS 92 -4.546 -14.710 21.585 785 HE3 LYS 92 2HE LYS 92 -3.422 -13.711 20.646 786 HZ1 LYS 92 3HZ LYS 92 -4.761 -12.885 23.154 787 HZ2 LYS 92 1HZ LYS 92 -3.718 -11.954 22.278 788 HZ3 LYS 92 2HZ LYS 92 -3.179 -13.331 23.010 789 H LYS 93 H LYS 93 -6.917 -11.965 15.296 790 HA LYS 93 HA LYS 93 -8.832 -9.858 15.034 791 HB2 LYS 93 1HB LYS 93 -9.198 -10.737 12.811 792 HB3 LYS 93 2HB LYS 93 -7.474 -10.808 13.193 793 HG2 LYS 93 1HG LYS 93 -7.818 -13.263 13.819 794 HG3 LYS 93 2HG LYS 93 -9.442 -13.137 13.132 795 HD2 LYS 93 1HD LYS 93 -6.881 -12.508 11.618 796 HD3 LYS 93 2HD LYS 93 -7.685 -14.085 11.582 797 HE2 LYS 93 1HE LYS 93 -9.008 -11.482 10.775 798 HE3 LYS 93 2HE LYS 93 -8.209 -12.584 9.641 799 HZ1 LYS 93 3HZ LYS 93 -10.546 -13.286 11.332 800 HZ2 LYS 93 1HZ LYS 93 -9.792 -14.305 10.276 801 HZ3 LYS 93 2HZ LYS 93 -10.593 -12.978 9.713 802 H GLU 94 H GLU 94 -9.135 -13.086 16.175 803 HA GLU 94 HA GLU 94 -11.814 -13.718 15.511 804 HB2 GLU 94 1HB GLU 94 -10.069 -15.254 16.361 805 HB3 GLU 94 2HB GLU 94 -10.106 -14.432 17.925 806 HG2 GLU 94 1HG GLU 94 -12.395 -15.173 18.297 807 HG3 GLU 94 2HG GLU 94 -12.425 -15.917 16.691 808 H VAL 95 H VAL 95 -10.431 -11.966 18.273 809 HA VAL 95 HA VAL 95 -13.183 -11.476 19.311 810 HB VAL 95 HB VAL 95 -12.045 -10.851 21.441 811 HG11 VAL 95 1HG1 VAL 95 -11.191 -13.594 20.401 812 HG12 VAL 95 2HG1 VAL 95 -11.397 -13.118 22.103 813 HG13 VAL 95 3HG1 VAL 95 -12.806 -13.188 21.023 814 HG21 VAL 95 3HG2 VAL 95 -9.655 -11.263 21.767 815 HG22 VAL 95 1HG2 VAL 95 -9.473 -11.807 20.087 816 HG23 VAL 95 2HG2 VAL 95 -9.862 -10.106 20.439 817 H ASN 96 H ASN 96 -11.299 -10.099 17.158 818 HA ASN 96 HA ASN 96 -11.999 -7.341 18.067 819 HB2 ASN 96 1HB ASN 96 -9.540 -7.862 18.276 820 HB3 ASN 96 2HB ASN 96 -9.489 -8.058 16.523 821 HD21 ASN 96 2HD2 ASN 96 -8.279 -6.091 18.451 822 HD22 ASN 96 1HD2 ASN 96 -8.717 -4.526 17.810 823 HA PRO 97 HA PRO 97 -13.753 -8.380 13.960 824 HB2 PRO 97 1HB PRO 97 -16.164 -7.122 14.207 825 HB3 PRO 97 2HB PRO 97 -15.852 -8.756 14.878 826 HG2 PRO 97 1HG PRO 97 -15.717 -6.093 16.280 827 HG3 PRO 97 2HG PRO 97 -16.606 -7.575 16.760 828 HD2 PRO 97 1HD PRO 97 -14.188 -7.006 17.801 829 HD3 PRO 97 2HD PRO 97 -14.630 -8.696 17.373 830 H GLN 98 H GLN 98 -13.216 -5.355 15.646 831 HA GLN 98 HA GLN 98 -13.878 -3.559 13.512 832 HB2 GLN 98 1HB GLN 98 -13.478 -2.878 15.904 833 HB3 GLN 98 2HB GLN 98 -11.759 -3.242 15.686 834 HG2 GLN 98 1HG GLN 98 -12.143 -0.855 15.486 835 HG3 GLN 98 2HG GLN 98 -11.588 -1.526 13.947 836 HE21 GLN 98 2HE2 GLN 98 -12.737 -1.109 12.167 837 HE22 GLN 98 1HE2 GLN 98 -14.343 -0.413 12.169 838 H VAL 99 H VAL 99 -10.862 -5.295 14.463 839 HA VAL 99 HA VAL 99 -9.578 -4.116 12.114 840 HB VAL 99 HB VAL 99 -8.376 -4.603 14.336 841 HG11 VAL 99 1HG1 VAL 99 -8.100 -7.389 13.126 842 HG12 VAL 99 2HG1 VAL 99 -7.380 -6.790 14.634 843 HG13 VAL 99 3HG1 VAL 99 -9.134 -6.994 14.513 844 HG21 VAL 99 3HG2 VAL 99 -6.261 -4.950 13.182 845 HG22 VAL 99 1HG2 VAL 99 -7.100 -5.582 11.752 846 HG23 VAL 99 2HG2 VAL 99 -7.289 -3.877 12.221 847 H MET 100 H MET 100 -11.301 -7.054 12.952 848 HA MET 100 HA MET 100 -10.190 -8.726 10.949 849 HB2 MET 100 1HB MET 100 -11.757 -9.270 12.907 850 HB3 MET 100 2HB MET 100 -13.076 -8.872 11.804 851 HG2 MET 100 1HG MET 100 -11.365 -10.590 10.376 852 HG3 MET 100 2HG MET 100 -11.453 -11.262 12.010 853 HE1 MET 100 3HE MET 100 -14.172 -9.436 9.560 854 HE2 MET 100 1HE MET 100 -13.186 -10.595 8.637 855 HE3 MET 100 2HE MET 100 -14.908 -10.933 8.943 856 H ALA 101 H ALA 101 -12.862 -6.345 10.735 857 HA ALA 101 HA ALA 101 -13.588 -7.162 8.056 858 HB1 ALA 101 3HB ALA 101 -14.015 -4.616 9.649 859 HB2 ALA 101 1HB ALA 101 -14.639 -4.845 7.998 860 HB3 ALA 101 2HB ALA 101 -15.185 -5.909 9.317 861 H ALA 102 H ALA 102 -11.095 -5.043 9.418 862 HA ALA 102 HA ALA 102 -10.428 -3.795 6.903 863 HB1 ALA 102 3HB ALA 102 -8.498 -2.908 8.115 864 HB2 ALA 102 1HB ALA 102 -9.965 -2.740 9.108 865 HB3 ALA 102 2HB ALA 102 -8.790 -4.030 9.463 866 H VAL 103 H VAL 103 -9.540 -6.788 8.575 867 HA VAL 103 HA VAL 103 -7.148 -7.422 7.084 868 HB VAL 103 HB VAL 103 -9.354 -9.214 8.251 869 HG11 VAL 103 1HG1 VAL 103 -7.901 -11.105 8.075 870 HG12 VAL 103 2HG1 VAL 103 -8.099 -10.403 6.466 871 HG13 VAL 103 3HG1 VAL 103 -6.616 -10.110 7.390 872 HG21 VAL 103 3HG2 VAL 103 -7.893 -9.529 10.141 873 HG22 VAL 103 1HG2 VAL 103 -6.573 -8.656 9.332 874 HG23 VAL 103 2HG2 VAL 103 -8.026 -7.789 9.851 875 H ALA 104 H ALA 104 -10.636 -8.070 6.464 876 HA ALA 104 HA ALA 104 -10.153 -9.359 3.947 877 HB1 ALA 104 3HB ALA 104 -12.221 -9.681 5.262 878 HB2 ALA 104 1HB ALA 104 -12.662 -7.975 5.004 879 HB3 ALA 104 2HB ALA 104 -12.590 -9.094 3.623 880 H GLN 105 H GLN 105 -10.998 -5.980 4.828 881 HA GLN 105 HA GLN 105 -11.271 -5.036 2.151 882 HB2 GLN 105 1HB GLN 105 -10.513 -3.706 4.770 883 HB3 GLN 105 2HB GLN 105 -10.601 -2.813 3.237 884 HG2 GLN 105 1HG GLN 105 -12.957 -3.543 2.975 885 HG3 GLN 105 2HG GLN 105 -12.874 -4.292 4.574 886 HE21 GLN 105 2HE2 GLN 105 -14.752 -2.380 4.092 887 HE22 GLN 105 1HE2 GLN 105 -14.337 -0.904 4.935 888 H THR 106 H THR 106 -8.383 -5.440 4.224 889 HA THR 106 HA THR 106 -6.607 -3.968 2.539 890 HB THR 106 HB THR 106 -5.882 -6.431 4.189 891 HG1 THR 106 HG1 THR 106 -6.936 -4.891 5.487 892 HG21 THR 106 1HG2 THR 106 -4.303 -4.013 3.257 893 HG22 THR 106 2HG2 THR 106 -4.086 -5.693 2.725 894 HG23 THR 106 3HG2 THR 106 -3.713 -5.239 4.394 895 H GLU 107 H GLU 107 -7.573 -7.446 2.575 896 HA GLU 107 HA GLU 107 -5.886 -8.267 0.451 897 HB2 GLU 107 1HB GLU 107 -8.663 -9.231 1.215 898 HB3 GLU 107 2HB GLU 107 -7.609 -10.035 0.053 899 HG2 GLU 107 1HG GLU 107 -5.901 -10.268 1.818 900 HG3 GLU 107 2HG GLU 107 -7.038 -9.592 2.982 901 H GLU 108 H GLU 108 -9.199 -6.865 0.301 902 HA GLU 108 HA GLU 108 -9.506 -7.183 -2.517 903 HB2 GLU 108 1HB GLU 108 -10.604 -5.055 -0.649 904 HB3 GLU 108 2HB GLU 108 -11.153 -5.312 -2.306 905 HG2 GLU 108 1HG GLU 108 -11.897 -7.581 -1.709 906 HG3 GLU 108 2HG GLU 108 -11.362 -7.313 -0.043 907 H ILE 109 H ILE 109 -8.193 -4.469 -0.591 908 HA ILE 109 HA ILE 109 -7.836 -2.746 -2.872 909 HB ILE 109 HB ILE 109 -6.482 -2.700 -0.134 910 HG12 ILE 109 1HG1 ILE 109 -8.744 -0.940 -1.129 911 HG13 ILE 109 2HG1 ILE 109 -9.071 -2.486 -0.367 912 HG21 ILE 109 1HG2 ILE 109 -6.573 -0.625 -2.389 913 HG22 ILE 109 2HG2 ILE 109 -6.111 -0.227 -0.721 914 HG23 ILE 109 3HG2 ILE 109 -5.131 -1.364 -1.660 915 HD11 ILE 109 3HD1 ILE 109 -9.288 -0.786 1.298 916 HD12 ILE 109 1HD1 ILE 109 -7.828 -1.728 1.664 917 HD13 ILE 109 2HD1 ILE 109 -7.685 -0.117 0.916 918 H LEU 110 H LEU 110 -5.711 -5.094 -1.205 919 HA LEU 110 HA LEU 110 -3.339 -4.425 -2.676 920 HB2 LEU 110 1HB LEU 110 -4.349 -6.731 -1.073 921 HB3 LEU 110 2HB LEU 110 -3.016 -7.054 -2.168 922 HG LEU 110 HG LEU 110 -1.535 -5.679 -1.010 923 HD11 LEU 110 1HD1 LEU 110 -2.149 -4.204 0.910 924 HD12 LEU 110 2HD1 LEU 110 -3.854 -4.441 0.505 925 HD13 LEU 110 3HD1 LEU 110 -2.772 -3.633 -0.643 926 HD21 LEU 110 3HD2 LEU 110 -1.651 -6.553 1.291 927 HD22 LEU 110 1HD2 LEU 110 -2.091 -7.798 0.104 928 HD23 LEU 110 2HD2 LEU 110 -3.361 -6.980 1.039 929 H LYS 111 H LYS 111 -6.020 -6.712 -3.332 930 HA LYS 111 HA LYS 111 -4.854 -7.816 -5.718 931 HB2 LYS 111 1HB LYS 111 -7.694 -7.558 -4.783 932 HB3 LYS 111 2HB LYS 111 -7.221 -8.434 -6.249 933 HG2 LYS 111 1HG LYS 111 -5.972 -10.045 -5.012 934 HG3 LYS 111 2HG LYS 111 -6.024 -9.054 -3.544 935 HD2 LYS 111 1HD LYS 111 -8.556 -9.220 -3.745 936 HD3 LYS 111 2HD LYS 111 -8.246 -10.572 -4.848 937 HE2 LYS 111 1HE LYS 111 -7.142 -10.316 -2.026 938 HE3 LYS 111 2HE LYS 111 -8.605 -11.209 -2.415 939 HZ1 LYS 111 3HZ LYS 111 -5.959 -11.850 -3.550 940 HZ2 LYS 111 1HZ LYS 111 -7.333 -12.757 -3.672 941 HZ3 LYS 111 2HZ LYS 111 -6.583 -12.573 -2.209 942 H SER 112 H SER 112 -6.766 -4.925 -5.065 943 HA SER 112 HA SER 112 -7.335 -4.301 -7.826 944 HB2 SER 112 1HB SER 112 -8.531 -3.434 -5.778 945 HB3 SER 112 2HB SER 112 -7.134 -2.396 -5.468 946 HG SER 112 HG SER 112 -7.526 -1.741 -7.801 947 H ASN 113 H ASN 113 -4.510 -4.005 -5.882 948 HA ASN 113 HA ASN 113 -3.363 -1.839 -7.586 949 HB2 ASN 113 1HB ASN 113 -2.742 -3.050 -4.909 950 HB3 ASN 113 2HB ASN 113 -1.384 -2.433 -5.858 951 HD21 ASN 113 2HD2 ASN 113 -4.716 -1.189 -5.614 952 HD22 ASN 113 1HD2 ASN 113 -4.242 0.395 -5.018 953 H SER 114 H SER 114 -3.549 -5.224 -7.567 954 HA SER 114 HA SER 114 -0.902 -5.995 -8.108 955 HB2 SER 114 1HB SER 114 -3.504 -7.201 -9.103 956 HB3 SER 114 2HB SER 114 -1.919 -8.005 -9.127 957 HG SER 114 HG SER 114 -3.286 -8.472 -7.266 958 H GLN 115 H GLN 115 0.423 -5.621 -9.651 959 HA GLN 115 HA GLN 115 1.365 -5.254 -11.675 960 HB2 GLN 115 1HB GLN 115 -0.103 -7.438 -11.899 961 HB3 GLN 115 2HB GLN 115 -0.989 -6.466 -13.077 962 HG2 GLN 115 1HG GLN 115 1.121 -6.104 -14.333 963 HG3 GLN 115 2HG GLN 115 1.993 -7.069 -13.133 964 HE21 GLN 115 2HE2 GLN 115 -0.439 -7.142 -15.679 965 HE22 GLN 115 1HE2 GLN 115 -0.331 -8.863 -15.970 966 H THR 116 H THR 116 -0.671 -3.134 -10.758 967 HA THR 116 HA THR 116 -1.798 -2.005 -13.136 968 HB THR 116 HB THR 116 -2.440 -1.358 -10.777 969 HG1 THR 116 HG1 THR 116 -2.623 0.884 -11.337 970 HG21 THR 116 1HG2 THR 116 -1.139 0.296 -9.573 971 HG22 THR 116 2HG2 THR 116 0.081 0.350 -10.863 972 HG23 THR 116 3HG2 THR 116 -0.109 -1.117 -9.869 973 H ASP 117 H ASP 117 -1.066 -0.258 -14.455 974 HA ASP 117 HA ASP 117 1.902 -0.147 -14.599 975 HB2 ASP 117 1HB ASP 117 1.738 0.244 -16.929 976 HB3 ASP 117 2HB ASP 117 0.695 -1.133 -16.551 977 H LEU 118 H LEU 118 1.045 2.251 -16.580 978 HA LEU 118 HA LEU 118 1.298 4.403 -16.532 979 HB2 LEU 118 1HB LEU 118 -0.356 4.360 -14.085 980 HB3 LEU 118 2HB LEU 118 -0.080 5.723 -15.147 981 HG LEU 118 HG LEU 118 -1.524 3.199 -15.962 982 HD11 LEU 118 1HD1 LEU 118 -2.763 4.504 -14.284 983 HD12 LEU 118 2HD1 LEU 118 -3.549 4.581 -15.872 984 HD13 LEU 118 3HD1 LEU 118 -2.596 5.966 -15.287 985 HD21 LEU 118 3HD2 LEU 118 -1.110 5.851 -17.416 986 HD22 LEU 118 1HD2 LEU 118 -2.244 4.577 -17.926 987 HD23 LEU 118 2HD2 LEU 118 -0.507 4.246 -17.911 988 H GLU 119 H GLU 119 1.599 3.817 -13.286 989 HA GLU 119 HA GLU 119 3.266 6.020 -12.550 990 HB2 GLU 119 1HB GLU 119 3.176 3.222 -11.355 991 HB3 GLU 119 2HB GLU 119 4.007 4.603 -10.640 992 HG2 GLU 119 1HG GLU 119 1.812 5.766 -10.458 993 HG3 GLU 119 2HG GLU 119 1.032 4.255 -10.977 994 H HIS 120 H HIS 120 4.033 2.833 -13.819 995 HA HIS 120 HA HIS 120 6.008 1.801 -14.429 996 HB2 HIS 120 1HB HIS 120 6.317 4.594 -15.174 997 HB3 HIS 120 2HB HIS 120 7.879 3.915 -14.732 998 HD1 HIS 120 HD1 HIS 120 5.028 3.490 -17.222 999 HD2 HIS 120 HD2 HIS 120 8.944 2.124 -16.590 1000 HE1 HIS 120 HE1 HIS 120 5.737 2.252 -19.342 1001 H HIS 121 H HIS 121 5.441 2.708 -11.571 1002 HA HIS 121 HA HIS 121 7.715 3.535 -10.220 1003 HB2 HIS 121 1HB HIS 121 5.298 3.279 -9.451 1004 HB3 HIS 121 2HB HIS 121 5.661 1.584 -9.124 1005 HD1 HIS 121 HD1 HIS 121 5.782 1.421 -6.614 1006 HD2 HIS 121 HD2 HIS 121 7.722 4.844 -8.061 1007 HE1 HIS 121 HE1 HIS 121 6.876 2.561 -4.607 1008 H HIS 122 H HIS 122 9.467 2.687 -9.327 1009 HA HIS 122 HA HIS 122 11.177 1.306 -8.879 1010 HB2 HIS 122 1HB HIS 122 8.921 0.247 -7.691 1011 HB3 HIS 122 2HB HIS 122 9.610 -1.159 -8.501 1012 HD1 HIS 122 HD1 HIS 122 12.697 0.189 -7.943 1013 HD2 HIS 122 HD2 HIS 122 9.697 -0.921 -5.196 1014 HE1 HIS 122 HE1 HIS 122 13.830 -0.218 -5.688 1015 H HIS 123 H HIS 123 10.043 1.042 -11.849 1016 HA HIS 123 HA HIS 123 10.993 -1.648 -12.523 1017 HB2 HIS 123 1HB HIS 123 10.101 0.730 -14.173 1018 HB3 HIS 123 2HB HIS 123 10.779 -0.725 -14.911 1019 HD1 HIS 123 HD1 HIS 123 9.231 -2.725 -15.263 1020 HD2 HIS 123 HD2 HIS 123 7.598 0.172 -12.713 1021 HE1 HIS 123 HE1 HIS 123 6.815 -3.409 -14.811 1022 H HIS 124 H HIS 124 13.074 -1.929 -11.979 1023 HA HIS 124 HA HIS 124 15.349 -1.842 -12.073 1024 HB2 HIS 124 1HB HIS 124 14.651 -2.095 -14.582 1025 HB3 HIS 124 2HB HIS 124 15.244 -0.437 -14.736 1026 HD1 HIS 124 HD1 HIS 124 16.404 -4.006 -14.262 1027 HD2 HIS 124 HD2 HIS 124 18.069 -0.158 -14.397 1028 HE1 HIS 124 HE1 HIS 124 18.928 -4.297 -14.481 1029 H HIS 125 H HIS 125 13.949 0.418 -10.875 1030 HA HIS 125 HA HIS 125 16.274 2.065 -10.373 1031 HB2 HIS 125 1HB HIS 125 15.062 3.153 -12.442 1032 HB3 HIS 125 2HB HIS 125 13.754 3.501 -11.304 1033 HD1 HIS 125 HD1 HIS 125 15.345 4.410 -8.817 1034 HD2 HIS 125 HD2 HIS 125 16.287 5.594 -12.736 1035 HE1 HIS 125 HE1 HIS 125 16.667 6.604 -8.648 Start of MODEL 29 1 H21 MYR 1 1H2 MYR 1 0.689 0.018 -0.921 2 H22 MYR 1 2H2 MYR 1 2.089 -0.176 0.126 3 H31 MYR 1 1H3 MYR 1 -0.540 -1.770 0.355 4 H32 MYR 1 2H3 MYR 1 0.955 -2.385 -0.354 5 H41 MYR 1 1H4 MYR 1 2.125 -2.225 1.816 6 H42 MYR 1 2H4 MYR 1 0.756 -1.419 2.562 7 H51 MYR 1 1H5 MYR 1 -0.631 -3.422 2.397 8 H52 MYR 1 2H5 MYR 1 0.609 -4.269 1.461 9 H61 MYR 1 1H6 MYR 1 2.169 -4.237 3.337 10 H62 MYR 1 2H6 MYR 1 1.138 -3.188 4.293 11 H71 MYR 1 1H7 MYR 1 -0.193 -5.735 3.415 12 H72 MYR 1 2H7 MYR 1 1.236 -5.979 4.410 13 H81 MYR 1 1H8 MYR 1 0.290 -4.488 6.186 14 H82 MYR 1 2H8 MYR 1 -1.162 -4.235 5.206 15 H91 MYR 1 1H9 MYR 1 -0.216 -7.005 6.104 16 H92 MYR 1 2H9 MYR 1 -1.739 -6.615 5.332 17 H101 MYR 1 1H10 MYR 1 -1.116 -5.218 7.958 18 H102 MYR 1 2H10 MYR 1 -1.415 -6.948 8.019 19 H111 MYR 1 1H11 MYR 1 -3.361 -4.860 6.878 20 H112 MYR 1 2H11 MYR 1 -3.630 -6.603 6.830 21 H121 MYR 1 1H12 MYR 1 -3.447 -6.662 9.370 22 H122 MYR 1 2H12 MYR 1 -3.307 -4.903 9.368 23 H131 MYR 1 1H13 MYR 1 -5.586 -4.735 8.290 24 H132 MYR 1 2H13 MYR 1 -5.709 -6.493 8.298 25 H141 MYR 1 1H14 MYR 1 -6.930 -5.549 10.237 26 H142 MYR 1 2H14 MYR 1 -5.550 -6.490 10.819 27 H143 MYR 1 3H14 MYR 1 -5.471 -4.715 10.796 28 H GLY 2 H GLY 2 2.202 1.067 1.866 29 HA2 GLY 2 1HA GLY 2 0.117 1.574 3.719 30 HA3 GLY 2 2HA GLY 2 1.664 2.431 3.650 31 H GLN 3 H GLN 3 1.641 3.811 1.368 32 HA GLN 3 HA GLN 3 -0.136 5.986 1.876 33 HB2 GLN 3 1HB GLN 3 1.481 5.186 -0.557 34 HB3 GLN 3 2HB GLN 3 0.550 6.686 -0.477 35 HG2 GLN 3 1HG GLN 3 2.689 5.979 1.553 36 HG3 GLN 3 2HG GLN 3 3.017 6.875 0.066 37 HE21 GLN 3 2HE2 GLN 3 2.495 9.001 -0.081 38 HE22 GLN 3 1HE2 GLN 3 1.812 9.919 1.238 39 H GLU 4 H GLU 4 -0.491 3.145 -0.248 40 HA GLU 4 HA GLU 4 -2.809 4.202 -1.612 41 HB2 GLU 4 1HB GLU 4 -1.552 2.471 -2.668 42 HB3 GLU 4 2HB GLU 4 -1.636 1.439 -1.246 43 HG2 GLU 4 1HG GLU 4 -3.081 0.510 -2.840 44 HG3 GLU 4 2HG GLU 4 -4.103 1.223 -1.598 45 H LEU 5 H LEU 5 -2.295 2.209 1.309 46 HA LEU 5 HA LEU 5 -5.098 1.671 1.715 47 HB2 LEU 5 1HB LEU 5 -2.699 1.648 3.555 48 HB3 LEU 5 2HB LEU 5 -4.310 1.191 4.088 49 HG LEU 5 HG LEU 5 -2.841 -0.188 1.820 50 HD11 LEU 5 1HD1 LEU 5 -2.372 -1.975 3.434 51 HD12 LEU 5 2HD1 LEU 5 -3.092 -0.995 4.733 52 HD13 LEU 5 3HD1 LEU 5 -1.609 -0.446 3.911 53 HD21 LEU 5 3HD2 LEU 5 -5.269 -1.070 3.417 54 HD22 LEU 5 1HD2 LEU 5 -4.457 -1.991 2.133 55 HD23 LEU 5 2HD2 LEU 5 -5.286 -0.477 1.746 56 H SER 6 H SER 6 -2.961 4.358 2.744 57 HA SER 6 HA SER 6 -5.097 5.599 4.333 58 HB2 SER 6 1HB SER 6 -3.546 7.517 4.440 59 HB3 SER 6 2HB SER 6 -2.751 5.998 4.890 60 HG SER 6 HG SER 6 -1.455 7.187 3.456 61 H GLN 7 H GLN 7 -4.361 5.422 0.961 62 HA GLN 7 HA GLN 7 -5.695 7.974 0.294 63 HB2 GLN 7 1HB GLN 7 -3.794 7.118 -1.047 64 HB3 GLN 7 2HB GLN 7 -4.712 5.663 -1.432 65 HG2 GLN 7 1HG GLN 7 -6.303 6.937 -2.728 66 HG3 GLN 7 2HG GLN 7 -5.568 8.461 -2.204 67 HE21 GLN 7 2HE2 GLN 7 -4.414 5.346 -3.632 68 HE22 GLN 7 1HE2 GLN 7 -3.442 6.130 -4.858 69 H HIS 8 H HIS 8 -6.303 4.540 0.571 70 HA HIS 8 HA HIS 8 -8.887 4.599 -0.758 71 HB2 HIS 8 1HB HIS 8 -7.189 2.633 0.702 72 HB3 HIS 8 2HB HIS 8 -8.918 2.331 0.724 73 HD1 HIS 8 HD1 HIS 8 -6.195 3.091 -1.919 74 HD2 HIS 8 HD2 HIS 8 -9.792 0.960 -1.474 75 HE1 HIS 8 HE1 HIS 8 -6.605 1.851 -4.101 76 H GLU 9 H GLU 9 -10.103 6.201 0.212 77 HA GLU 9 HA GLU 9 -10.528 6.767 2.874 78 HB2 GLU 9 1HB GLU 9 -12.922 7.348 2.082 79 HB3 GLU 9 2HB GLU 9 -11.548 8.181 1.340 80 HG2 GLU 9 1HG GLU 9 -11.689 6.847 -0.654 81 HG3 GLU 9 2HG GLU 9 -12.824 5.720 0.101 82 H ARG 10 H ARG 10 -12.062 4.072 1.124 83 HA ARG 10 HA ARG 10 -14.014 3.344 3.060 84 HB2 ARG 10 1HB ARG 10 -12.356 1.660 1.146 85 HB3 ARG 10 2HB ARG 10 -13.752 1.047 2.039 86 HG2 ARG 10 1HG ARG 10 -15.277 2.194 0.737 87 HG3 ARG 10 2HG ARG 10 -14.125 3.469 0.294 88 HD2 ARG 10 1HD ARG 10 -14.629 1.953 -1.612 89 HD3 ARG 10 2HD ARG 10 -12.912 1.957 -1.165 90 HE ARG 10 HE ARG 10 -14.242 -0.146 0.233 91 HH11 ARG 10 1HH1 ARG 10 -13.121 0.618 -3.035 92 HH12 ARG 10 2HH1 ARG 10 -12.904 -1.066 -3.440 93 HH21 ARG 10 1HH2 ARG 10 -13.967 -2.251 -0.371 94 HH22 ARG 10 2HH2 ARG 10 -13.405 -2.671 -1.955 95 H TYR 11 H TYR 11 -10.566 2.664 2.860 96 HA TYR 11 HA TYR 11 -10.630 0.733 5.061 97 HB2 TYR 11 1HB TYR 11 -9.105 0.705 3.027 98 HB3 TYR 11 2HB TYR 11 -8.251 2.073 3.732 99 HD1 TYR 11 HD1 TYR 11 -9.460 -1.357 4.748 100 HD2 TYR 11 HD2 TYR 11 -6.347 1.594 4.983 101 HE1 TYR 11 HE1 TYR 11 -8.065 -2.925 6.079 102 HE2 TYR 11 HE2 TYR 11 -4.952 0.003 6.300 103 HH TYR 11 HH TYR 11 -4.783 -2.065 7.201 104 H VAL 12 H VAL 12 -9.740 4.112 4.433 105 HA VAL 12 HA VAL 12 -8.526 4.673 6.945 106 HB VAL 12 HB VAL 12 -10.061 6.504 5.045 107 HG11 VAL 12 1HG1 VAL 12 -8.149 7.220 7.304 108 HG12 VAL 12 2HG1 VAL 12 -8.810 8.357 6.111 109 HG13 VAL 12 3HG1 VAL 12 -9.895 7.558 7.264 110 HG21 VAL 12 3HG2 VAL 12 -7.074 6.020 5.388 111 HG22 VAL 12 1HG2 VAL 12 -8.059 5.377 4.066 112 HG23 VAL 12 2HG2 VAL 12 -7.838 7.125 4.224 113 H GLU 13 H GLU 13 -11.958 4.654 5.914 114 HA GLU 13 HA GLU 13 -13.135 5.776 8.231 115 HB2 GLU 13 1HB GLU 13 -13.964 3.593 6.310 116 HB3 GLU 13 2HB GLU 13 -14.974 3.981 7.700 117 HG2 GLU 13 1HG GLU 13 -14.118 5.999 5.614 118 HG3 GLU 13 2HG GLU 13 -15.653 5.114 5.583 119 H GLN 14 H GLN 14 -12.093 2.406 7.631 120 HA GLN 14 HA GLN 14 -12.902 1.529 10.284 121 HB2 GLN 14 1HB GLN 14 -11.169 0.284 8.131 122 HB3 GLN 14 2HB GLN 14 -11.584 -0.503 9.662 123 HG2 GLN 14 1HG GLN 14 -14.041 0.335 8.729 124 HG3 GLN 14 2HG GLN 14 -13.200 -0.168 7.261 125 HE21 GLN 14 2HE2 GLN 14 -14.820 -1.075 10.058 126 HE22 GLN 14 1HE2 GLN 14 -14.553 -2.787 9.903 127 H LEU 15 H LEU 15 -9.790 2.504 8.755 128 HA LEU 15 HA LEU 15 -8.232 1.752 11.040 129 HB2 LEU 15 1HB LEU 15 -7.773 3.623 8.736 130 HB3 LEU 15 2HB LEU 15 -6.633 3.527 10.063 131 HG LEU 15 HG LEU 15 -7.321 1.311 8.127 132 HD11 LEU 15 1HD1 LEU 15 -4.878 3.046 8.693 133 HD12 LEU 15 2HD1 LEU 15 -5.889 3.051 7.224 134 HD13 LEU 15 3HD1 LEU 15 -4.871 1.650 7.602 135 HD21 LEU 15 3HD2 LEU 15 -5.477 1.273 10.565 136 HD22 LEU 15 1HD2 LEU 15 -5.483 0.044 9.279 137 HD23 LEU 15 2HD2 LEU 15 -6.914 0.256 10.300 138 H LYS 16 H LYS 16 -10.165 4.628 10.406 139 HA LYS 16 HA LYS 16 -8.899 6.299 12.396 140 HB2 LYS 16 1HB LYS 16 -11.677 6.191 11.199 141 HB3 LYS 16 2HB LYS 16 -11.294 7.300 12.522 142 HG2 LYS 16 1HG LYS 16 -9.484 8.306 11.174 143 HG3 LYS 16 2HG LYS 16 -9.898 7.253 9.822 144 HD2 LYS 16 1HD LYS 16 -11.828 9.234 11.082 145 HD3 LYS 16 2HD LYS 16 -10.824 9.583 9.664 146 HE2 LYS 16 1HE LYS 16 -11.899 7.673 8.474 147 HE3 LYS 16 2HE LYS 16 -12.978 7.451 9.865 148 HZ1 LYS 16 3HZ LYS 16 -14.016 8.783 8.151 149 HZ2 LYS 16 1HZ LYS 16 -12.800 9.899 8.203 150 HZ3 LYS 16 2HZ LYS 16 -13.796 9.704 9.504 151 H GLN 17 H GLN 17 -11.190 3.636 12.517 152 HA GLN 17 HA GLN 17 -11.705 4.036 15.378 153 HB2 GLN 17 1HB GLN 17 -12.326 1.695 13.554 154 HB3 GLN 17 2HB GLN 17 -12.956 1.924 15.183 155 HG2 GLN 17 1HG GLN 17 -14.242 3.856 14.461 156 HG3 GLN 17 2HG GLN 17 -13.482 3.824 12.864 157 HE21 GLN 17 2HE2 GLN 17 -15.334 3.558 11.684 158 HE22 GLN 17 1HE2 GLN 17 -16.298 2.101 11.752 159 H ALA 18 H ALA 18 -9.780 1.844 13.265 160 HA ALA 18 HA ALA 18 -8.902 0.169 15.384 161 HB1 ALA 18 3HB ALA 18 -7.300 -0.711 13.804 162 HB2 ALA 18 1HB ALA 18 -8.871 -0.461 13.019 163 HB3 ALA 18 2HB ALA 18 -7.539 0.689 12.733 164 H LEU 19 H LEU 19 -7.193 3.009 13.898 165 HA LEU 19 HA LEU 19 -4.819 2.704 15.502 166 HB2 LEU 19 1HB LEU 19 -6.101 4.963 13.980 167 HB3 LEU 19 2HB LEU 19 -4.947 5.382 15.229 168 HG LEU 19 HG LEU 19 -3.250 3.908 14.029 169 HD11 LEU 19 1HD1 LEU 19 -3.581 3.730 11.548 170 HD12 LEU 19 2HD1 LEU 19 -5.294 4.159 11.788 171 HD13 LEU 19 3HD1 LEU 19 -4.649 2.654 12.489 172 HD21 LEU 19 3HD2 LEU 19 -4.310 6.371 12.590 173 HD22 LEU 19 1HD2 LEU 19 -2.657 5.716 12.486 174 HD23 LEU 19 2HD2 LEU 19 -3.252 6.389 14.019 175 H LYS 20 H LYS 20 -7.925 4.367 15.990 176 HA LYS 20 HA LYS 20 -7.208 5.576 18.491 177 HB2 LYS 20 1HB LYS 20 -9.019 6.374 17.025 178 HB3 LYS 20 2HB LYS 20 -9.926 4.888 17.297 179 HG2 LYS 20 1HG LYS 20 -9.201 6.392 19.757 180 HG3 LYS 20 2HG LYS 20 -10.323 7.212 18.656 181 HD2 LYS 20 1HD LYS 20 -11.818 5.251 18.675 182 HD3 LYS 20 2HD LYS 20 -10.697 4.395 19.751 183 HE2 LYS 20 1HE LYS 20 -10.997 6.158 21.463 184 HE3 LYS 20 2HE LYS 20 -12.163 6.977 20.401 185 HZ1 LYS 20 3HZ LYS 20 -12.464 4.233 21.496 186 HZ2 LYS 20 1HZ LYS 20 -13.548 4.983 20.504 187 HZ3 LYS 20 2HZ LYS 20 -13.277 5.568 22.022 188 H THR 21 H THR 21 -8.836 2.437 17.755 189 HA THR 21 HA THR 21 -9.525 2.070 20.529 190 HB THR 21 HB THR 21 -10.652 0.954 18.493 191 HG1 THR 21 HG1 THR 21 -9.935 -0.574 20.789 192 HG21 THR 21 1HG2 THR 21 -8.515 -1.154 19.001 193 HG22 THR 21 2HG2 THR 21 -8.564 -0.100 17.570 194 HG23 THR 21 3HG2 THR 21 -9.879 -1.245 17.870 195 H ARG 22 H ARG 22 -6.579 1.573 18.774 196 HA ARG 22 HA ARG 22 -5.438 -0.306 20.696 197 HB2 ARG 22 1HB ARG 22 -4.221 1.605 18.662 198 HB3 ARG 22 2HB ARG 22 -3.261 0.563 19.701 199 HG2 ARG 22 1HG ARG 22 -5.311 -0.463 17.742 200 HG3 ARG 22 2HG ARG 22 -3.575 -0.324 17.411 201 HD2 ARG 22 1HD ARG 22 -4.811 -1.973 19.642 202 HD3 ARG 22 2HD ARG 22 -4.243 -2.605 18.094 203 HE ARG 22 HE ARG 22 -2.098 -1.225 19.289 204 HH11 ARG 22 1HH1 ARG 22 -3.995 -4.140 19.877 205 HH12 ARG 22 2HH1 ARG 22 -2.664 -4.959 20.674 206 HH21 ARG 22 1HH2 ARG 22 -0.457 -2.335 20.324 207 HH22 ARG 22 2HH2 ARG 22 -0.704 -3.979 20.873 208 H GLY 23 H GLY 23 -6.030 3.124 20.616 209 HA2 GLY 23 1HA GLY 23 -5.680 4.704 22.268 210 HA3 GLY 23 2HA GLY 23 -5.000 3.439 23.309 211 H VAL 24 H VAL 24 -3.497 3.339 20.322 212 HA VAL 24 HA VAL 24 -1.040 4.417 21.508 213 HB VAL 24 HB VAL 24 -1.560 3.079 18.803 214 HG11 VAL 24 1HG1 VAL 24 0.441 4.528 18.744 215 HG12 VAL 24 2HG1 VAL 24 1.077 3.726 20.197 216 HG13 VAL 24 3HG1 VAL 24 0.893 2.816 18.678 217 HG21 VAL 24 3HG2 VAL 24 -0.607 1.065 19.780 218 HG22 VAL 24 1HG2 VAL 24 -0.205 1.919 21.289 219 HG23 VAL 24 2HG2 VAL 24 -1.896 1.612 20.862 220 H LYS 25 H LYS 25 -0.336 6.426 21.183 221 HA LYS 25 HA LYS 25 -1.894 8.219 19.468 222 HB2 LYS 25 1HB LYS 25 0.583 8.652 21.186 223 HB3 LYS 25 2HB LYS 25 -0.292 9.937 20.344 224 HG2 LYS 25 1HG LYS 25 -2.275 9.554 21.712 225 HG3 LYS 25 2HG LYS 25 -1.536 8.125 22.450 226 HD2 LYS 25 1HD LYS 25 -1.343 9.920 24.036 227 HD3 LYS 25 2HD LYS 25 0.271 9.578 23.397 228 HE2 LYS 25 1HE LYS 25 0.007 11.973 23.538 229 HE3 LYS 25 2HE LYS 25 0.012 11.527 21.824 230 HZ1 LYS 25 3HZ LYS 25 -2.404 12.103 23.446 231 HZ2 LYS 25 1HZ LYS 25 -2.411 11.684 21.851 232 HZ3 LYS 25 2HZ LYS 25 -1.737 13.113 22.325 233 H VAL 26 H VAL 26 -1.448 7.265 17.392 234 HA VAL 26 HA VAL 26 1.185 8.196 16.311 235 HB VAL 26 HB VAL 26 0.836 6.312 14.546 236 HG11 VAL 26 1HG1 VAL 26 2.004 4.643 16.002 237 HG12 VAL 26 2HG1 VAL 26 2.693 6.278 16.080 238 HG13 VAL 26 3HG1 VAL 26 1.667 5.690 17.403 239 HG21 VAL 26 3HG2 VAL 26 -0.793 5.062 16.811 240 HG22 VAL 26 1HG2 VAL 26 -1.486 5.701 15.306 241 HG23 VAL 26 2HG2 VAL 26 -0.372 4.324 15.252 242 H LYS 27 H LYS 27 1.166 9.064 14.271 243 HA LYS 27 HA LYS 27 -1.393 10.254 13.419 244 HB2 LYS 27 1HB LYS 27 1.062 11.197 13.384 245 HB3 LYS 27 2HB LYS 27 1.236 10.236 11.918 246 HG2 LYS 27 1HG LYS 27 -0.692 11.520 10.948 247 HG3 LYS 27 2HG LYS 27 -0.623 12.570 12.377 248 HD2 LYS 27 1HD LYS 27 1.682 12.081 10.420 249 HD3 LYS 27 2HD LYS 27 0.636 13.505 10.427 250 HE2 LYS 27 1HE LYS 27 2.379 14.378 11.624 251 HE3 LYS 27 2HE LYS 27 1.488 13.669 12.976 252 HZ1 LYS 27 3HZ LYS 27 2.999 11.771 12.927 253 HZ2 LYS 27 1HZ LYS 27 3.899 13.152 12.998 254 HZ3 LYS 27 2HZ LYS 27 3.757 12.325 11.579 255 H PHE 28 H PHE 28 -2.291 9.734 11.248 256 HA PHE 28 HA PHE 28 -2.269 6.961 10.561 257 HB2 PHE 28 1HB PHE 28 -3.293 9.510 9.449 258 HB3 PHE 28 2HB PHE 28 -2.835 8.356 8.194 259 HD1 PHE 28 HD1 PHE 28 -4.952 8.738 11.258 260 HD2 PHE 28 HD2 PHE 28 -4.223 6.561 7.619 261 HE1 PHE 28 HE1 PHE 28 -7.117 7.546 11.540 262 HE2 PHE 28 HE2 PHE 28 -6.384 5.381 7.885 263 HZ PHE 28 HZ PHE 28 -7.837 5.878 9.838 264 H ALA 29 H ALA 29 -0.454 9.732 9.196 265 HA ALA 29 HA ALA 29 0.868 8.295 7.156 266 HB1 ALA 29 3HB ALA 29 1.976 10.601 8.809 267 HB2 ALA 29 1HB ALA 29 2.472 10.120 7.172 268 HB3 ALA 29 2HB ALA 29 0.849 10.795 7.436 269 H ASP 30 H ASP 30 1.635 8.678 10.614 270 HA ASP 30 HA ASP 30 4.263 7.561 10.436 271 HB2 ASP 30 1HB ASP 30 2.350 7.684 12.800 272 HB3 ASP 30 2HB ASP 30 4.073 7.306 12.899 273 H LEU 31 H LEU 31 1.006 6.254 11.076 274 HA LEU 31 HA LEU 31 1.983 3.649 11.741 275 HB2 LEU 31 1HB LEU 31 -0.181 4.574 12.483 276 HB3 LEU 31 2HB LEU 31 -0.774 4.498 10.837 277 HG LEU 31 HG LEU 31 -1.454 2.708 12.611 278 HD11 LEU 31 1HD1 LEU 31 -0.635 1.855 9.822 279 HD12 LEU 31 2HD1 LEU 31 -2.136 2.700 10.253 280 HD13 LEU 31 3HD1 LEU 31 -1.835 1.067 10.865 281 HD21 LEU 31 3HD2 LEU 31 -0.147 0.680 12.640 282 HD22 LEU 31 1HD2 LEU 31 0.859 2.021 13.216 283 HD23 LEU 31 2HD2 LEU 31 1.075 1.387 11.566 284 H LEU 32 H LEU 32 0.324 4.900 8.821 285 HA LEU 32 HA LEU 32 0.704 2.455 7.366 286 HB2 LEU 32 1HB LEU 32 0.064 5.273 6.511 287 HB3 LEU 32 2HB LEU 32 0.376 4.018 5.329 288 HG LEU 32 HG LEU 32 -1.953 4.177 5.485 289 HD11 LEU 32 1HD1 LEU 32 -1.331 1.805 7.280 290 HD12 LEU 32 2HD1 LEU 32 -1.102 1.820 5.517 291 HD13 LEU 32 3HD1 LEU 32 -2.724 2.021 6.199 292 HD21 LEU 32 3HD2 LEU 32 -1.712 3.945 8.486 293 HD22 LEU 32 1HD2 LEU 32 -3.218 4.089 7.541 294 HD23 LEU 32 2HD2 LEU 32 -2.058 5.425 7.563 295 H LYS 33 H LYS 33 2.958 5.044 7.957 296 HA LYS 33 HA LYS 33 4.748 4.638 5.776 297 HB2 LYS 33 1HB LYS 33 5.133 6.358 7.486 298 HB3 LYS 33 2HB LYS 33 5.381 5.115 8.718 299 HG2 LYS 33 1HG LYS 33 7.388 4.330 7.582 300 HG3 LYS 33 2HG LYS 33 7.130 5.504 6.275 301 HD2 LYS 33 1HD LYS 33 7.376 7.347 7.897 302 HD3 LYS 33 2HD LYS 33 7.653 6.157 9.192 303 HE2 LYS 33 1HE LYS 33 9.623 5.286 7.964 304 HE3 LYS 33 2HE LYS 33 9.351 6.481 6.681 305 HZ1 LYS 33 3HZ LYS 33 9.984 7.116 9.505 306 HZ2 LYS 33 1HZ LYS 33 9.732 8.227 8.311 307 HZ3 LYS 33 2HZ LYS 33 11.036 7.219 8.239 308 H PHE 34 H PHE 34 4.269 2.747 8.763 309 HA PHE 34 HA PHE 34 6.464 0.954 8.154 310 HB2 PHE 34 1HB PHE 34 4.261 1.008 10.196 311 HB3 PHE 34 2HB PHE 34 5.311 -0.392 10.033 312 HD1 PHE 34 HD2 PHE 34 5.210 3.202 10.864 313 HD2 PHE 34 HD1 PHE 34 7.651 -0.320 10.713 314 HE1 PHE 34 HE2 PHE 34 6.940 4.371 12.204 315 HE2 PHE 34 HE1 PHE 34 9.403 0.838 12.059 316 HZ PHE 34 HZ PHE 34 9.045 3.186 12.814 317 H PHE 35 H PHE 35 3.086 1.073 7.238 318 HA PHE 35 HA PHE 35 2.950 -1.717 6.409 319 HB2 PHE 35 1HB PHE 35 1.326 0.755 5.770 320 HB3 PHE 35 2HB PHE 35 1.087 -0.751 4.894 321 HD1 PHE 35 HD1 PHE 35 1.482 0.218 8.546 322 HD2 PHE 35 HD2 PHE 35 -0.704 -1.985 5.575 323 HE1 PHE 35 HE1 PHE 35 -0.034 -0.653 10.311 324 HE2 PHE 35 HE2 PHE 35 -2.248 -2.834 7.329 325 HZ PHE 35 HZ PHE 35 -1.912 -2.177 9.707 326 H ASP 36 H ASP 36 4.111 1.349 4.984 327 HA ASP 36 HA ASP 36 4.526 0.111 2.367 328 HB2 ASP 36 1HB ASP 36 5.095 2.756 3.613 329 HB3 ASP 36 2HB ASP 36 6.166 2.246 2.297 330 H PHE 37 H PHE 37 6.316 0.292 5.368 331 HA PHE 37 HA PHE 37 8.869 -0.406 4.212 332 HB2 PHE 37 1HB PHE 37 8.468 0.504 6.542 333 HB3 PHE 37 2HB PHE 37 7.866 -1.094 6.997 334 HD1 PHE 37 HD2 PHE 37 10.861 0.436 5.278 335 HD2 PHE 37 HD1 PHE 37 9.387 -2.546 8.007 336 HE1 PHE 37 HE2 PHE 37 13.199 -0.295 5.734 337 HE2 PHE 37 HE1 PHE 37 11.723 -3.292 8.461 338 HZ PHE 37 HZ PHE 37 13.634 -2.164 7.325 339 H VAL 38 H VAL 38 5.985 -2.224 5.258 340 HA VAL 38 HA VAL 38 7.058 -4.871 4.869 341 HB VAL 38 HB VAL 38 4.221 -3.933 4.192 342 HG11 VAL 38 1HG1 VAL 38 3.637 -6.351 4.750 343 HG12 VAL 38 2HG1 VAL 38 4.552 -6.102 3.252 344 HG13 VAL 38 3HG1 VAL 38 5.382 -6.685 4.706 345 HG21 VAL 38 3HG2 VAL 38 3.600 -4.723 6.390 346 HG22 VAL 38 1HG2 VAL 38 5.330 -4.894 6.783 347 HG23 VAL 38 2HG2 VAL 38 4.647 -3.305 6.391 348 H LYS 39 H LYS 39 5.451 -2.473 2.787 349 HA LYS 39 HA LYS 39 5.154 -4.191 0.613 350 HB2 LYS 39 1HB LYS 39 3.981 -2.030 0.861 351 HB3 LYS 39 2HB LYS 39 5.485 -1.172 0.649 352 HG2 LYS 39 1HG LYS 39 5.316 -2.729 -1.666 353 HG3 LYS 39 2HG LYS 39 3.647 -2.258 -1.355 354 HD2 LYS 39 1HD LYS 39 4.687 -0.602 -2.803 355 HD3 LYS 39 2HD LYS 39 4.360 0.130 -1.227 356 HE2 LYS 39 1HE LYS 39 6.567 0.828 -2.045 357 HE3 LYS 39 2HE LYS 39 6.743 -0.145 -0.584 358 HZ1 LYS 39 3HZ LYS 39 7.233 -1.062 -3.354 359 HZ2 LYS 39 1HZ LYS 39 7.289 -2.047 -2.029 360 HZ3 LYS 39 2HZ LYS 39 8.366 -0.800 -2.176 361 H ASP 40 H ASP 40 7.874 -2.119 1.582 362 HA ASP 40 HA ASP 40 9.351 -2.497 -0.882 363 HB2 ASP 40 1HB ASP 40 9.633 -1.022 1.595 364 HB3 ASP 40 2HB ASP 40 11.142 -1.870 1.225 365 H THR 41 H THR 41 9.823 -3.874 2.440 366 HA THR 41 HA THR 41 11.988 -5.544 1.502 367 HB THR 41 HB THR 41 10.353 -6.094 4.001 368 HG1 THR 41 HG1 THR 41 12.263 -4.031 3.541 369 HG21 THR 41 1HG2 THR 41 13.333 -6.227 3.367 370 HG22 THR 41 2HG2 THR 41 12.233 -7.620 3.489 371 HG23 THR 41 3HG2 THR 41 12.583 -6.636 4.924 372 H CYS 42 H CYS 42 8.518 -5.922 1.651 373 HA CYS 42 HA CYS 42 8.823 -8.726 0.671 374 HB2 CYS 42 1HB CYS 42 6.665 -7.632 2.501 375 HB3 CYS 42 2HB CYS 42 6.745 -9.277 1.863 376 HG CYS 42 HG CYS 42 8.989 -7.745 3.697 377 HA PRO 43 HA PRO 43 6.191 -6.289 -2.252 378 HB2 PRO 43 1HB PRO 43 7.325 -7.118 -4.595 379 HB3 PRO 43 2HB PRO 43 8.005 -5.767 -3.630 380 HG2 PRO 43 1HG PRO 43 8.834 -8.667 -3.661 381 HG3 PRO 43 2HG PRO 43 9.854 -7.202 -3.833 382 HD2 PRO 43 1HD PRO 43 9.579 -8.485 -1.462 383 HD3 PRO 43 2HD PRO 43 9.706 -6.690 -1.553 384 H TRP 44 H TRP 44 7.207 -9.569 -1.831 385 HA TRP 44 HA TRP 44 5.130 -10.779 -3.454 386 HB2 TRP 44 1HB TRP 44 5.922 -12.809 -2.001 387 HB3 TRP 44 2HB TRP 44 6.939 -12.152 -3.290 388 HD1 TRP 44 HD1 TRP 44 6.531 -11.587 0.513 389 HE1 TRP 44 HE1 TRP 44 8.817 -11.134 1.579 390 HE3 TRP 44 HE3 TRP 44 9.286 -11.654 -3.771 391 HZ2 TRP 44 HZ2 TRP 44 11.490 -10.777 0.652 392 HZ3 TRP 44 HZ3 TRP 44 11.746 -11.213 -3.628 393 HH2 TRP 44 HH2 TRP 44 12.825 -10.773 -1.423 394 H PHE 45 H PHE 45 5.043 -9.218 -0.396 395 HA PHE 45 HA PHE 45 3.055 -11.022 0.753 396 HB2 PHE 45 1HB PHE 45 4.461 -9.589 2.183 397 HB3 PHE 45 2HB PHE 45 3.694 -8.152 1.506 398 HD1 PHE 45 HD1 PHE 45 1.192 -7.800 1.873 399 HD2 PHE 45 HD2 PHE 45 3.442 -10.821 3.948 400 HE1 PHE 45 HE1 PHE 45 -0.622 -7.998 3.546 401 HE2 PHE 45 HE2 PHE 45 1.642 -10.975 5.655 402 HZ PHE 45 HZ PHE 45 -0.400 -9.581 5.453 403 HA PRO 46 HA PRO 46 -0.144 -7.994 -0.752 404 HB2 PRO 46 1HB PRO 46 0.326 -6.183 -2.735 405 HB3 PRO 46 2HB PRO 46 0.578 -5.792 -1.003 406 HG2 PRO 46 1HG PRO 46 2.589 -6.703 -3.034 407 HG3 PRO 46 2HG PRO 46 2.644 -5.274 -1.950 408 HD2 PRO 46 1HD PRO 46 3.892 -7.549 -1.287 409 HD3 PRO 46 2HD PRO 46 3.025 -6.592 -0.044 410 H GLN 47 H GLN 47 2.317 -9.346 -2.822 411 HA GLN 47 HA GLN 47 0.737 -9.839 -5.150 412 HB2 GLN 47 1HB GLN 47 3.245 -10.036 -4.898 413 HB3 GLN 47 2HB GLN 47 2.975 -11.534 -4.004 414 HG2 GLN 47 1HG GLN 47 1.909 -12.535 -5.976 415 HG3 GLN 47 2HG GLN 47 2.155 -11.027 -6.873 416 HE21 GLN 47 2HE2 GLN 47 3.318 -12.459 -8.370 417 HE22 GLN 47 1HE2 GLN 47 5.000 -12.802 -8.045 418 H GLU 48 H GLU 48 1.186 -11.675 -2.078 419 HA GLU 48 HA GLU 48 -0.489 -13.896 -2.940 420 HB2 GLU 48 1HB GLU 48 0.254 -12.874 -0.164 421 HB3 GLU 48 2HB GLU 48 -0.708 -14.323 -0.464 422 HG2 GLU 48 1HG GLU 48 1.244 -15.219 -1.807 423 HG3 GLU 48 2HG GLU 48 2.192 -13.863 -1.174 424 H GLY 49 H GLY 49 -0.947 -10.764 -1.391 425 HA2 GLY 49 1HA GLY 49 -2.840 -9.545 -0.951 426 HA3 GLY 49 2HA GLY 49 -3.583 -10.442 -2.263 427 H THR 50 H THR 50 -2.370 -11.939 0.669 428 HA THR 50 HA THR 50 -5.175 -12.484 1.555 429 HB THR 50 HB THR 50 -2.823 -14.435 1.592 430 HG1 THR 50 HG1 THR 50 -3.734 -14.018 -0.527 431 HG21 THR 50 1HG2 THR 50 -4.372 -14.871 3.412 432 HG22 THR 50 2HG2 THR 50 -4.644 -16.079 2.133 433 HG23 THR 50 3HG2 THR 50 -5.768 -14.718 2.314 434 H ILE 51 H ILE 51 -5.500 -12.053 3.691 435 HA ILE 51 HA ILE 51 -3.042 -11.281 5.215 436 HB ILE 51 HB ILE 51 -5.911 -10.446 5.716 437 HG12 ILE 51 1HG1 ILE 51 -5.201 -9.421 3.675 438 HG13 ILE 51 2HG1 ILE 51 -5.160 -8.244 4.964 439 HG21 ILE 51 1HG2 ILE 51 -3.262 -9.536 6.980 440 HG22 ILE 51 2HG2 ILE 51 -4.834 -8.740 7.235 441 HG23 ILE 51 3HG2 ILE 51 -4.582 -10.405 7.794 442 HD11 ILE 51 3HD1 ILE 51 -2.689 -8.526 5.096 443 HD12 ILE 51 1HD1 ILE 51 -2.786 -9.583 3.670 444 HD13 ILE 51 2HD1 ILE 51 -3.276 -7.886 3.552 445 H ASP 52 H ASP 52 -2.350 -12.786 6.340 446 HA ASP 52 HA ASP 52 -4.094 -14.179 8.298 447 HB2 ASP 52 1HB ASP 52 -3.799 -15.595 6.171 448 HB3 ASP 52 2HB ASP 52 -2.082 -15.656 6.579 449 H ILE 53 H ILE 53 -2.765 -15.110 9.949 450 HA ILE 53 HA ILE 53 -0.535 -13.392 10.627 451 HB ILE 53 HB ILE 53 -2.114 -14.467 12.235 452 HG12 ILE 53 1HG1 ILE 53 -0.374 -15.066 13.951 453 HG13 ILE 53 2HG1 ILE 53 0.843 -14.975 12.676 454 HG21 ILE 53 1HG2 ILE 53 -0.527 -17.017 11.775 455 HG22 ILE 53 2HG2 ILE 53 -1.808 -16.766 12.981 456 HG23 ILE 53 3HG2 ILE 53 -2.211 -16.734 11.255 457 HD11 ILE 53 3HD1 ILE 53 0.663 -12.944 14.114 458 HD12 ILE 53 1HD1 ILE 53 0.465 -12.609 12.386 459 HD13 ILE 53 2HD1 ILE 53 -0.958 -12.660 13.458 460 H LYS 54 H LYS 54 -0.950 -16.476 9.044 461 HA LYS 54 HA LYS 54 1.780 -17.356 9.230 462 HB2 LYS 54 1HB LYS 54 -0.306 -17.931 7.087 463 HB3 LYS 54 2HB LYS 54 1.174 -18.859 7.368 464 HG2 LYS 54 1HG LYS 54 0.329 -19.501 9.618 465 HG3 LYS 54 2HG LYS 54 -1.145 -18.562 9.317 466 HD2 LYS 54 1HD LYS 54 -1.417 -20.019 7.195 467 HD3 LYS 54 2HD LYS 54 -0.212 -21.089 7.934 468 HE2 LYS 54 1HE LYS 54 -2.420 -21.916 8.484 469 HE3 LYS 54 2HE LYS 54 -1.698 -21.260 9.966 470 HZ1 LYS 54 3HZ LYS 54 -3.503 -19.630 8.265 471 HZ2 LYS 54 1HZ LYS 54 -3.085 -19.368 9.831 472 HZ3 LYS 54 2HZ LYS 54 -4.096 -20.617 9.456 473 H ARG 55 H ARG 55 0.017 -15.276 6.943 474 HA ARG 55 HA ARG 55 2.284 -15.006 5.124 475 HB2 ARG 55 1HB ARG 55 -0.397 -13.661 5.469 476 HB3 ARG 55 2HB ARG 55 0.869 -12.823 4.575 477 HG2 ARG 55 1HG ARG 55 -0.173 -13.894 2.867 478 HG3 ARG 55 2HG ARG 55 1.104 -15.050 3.268 479 HD2 ARG 55 1HD ARG 55 -0.564 -16.293 4.685 480 HD3 ARG 55 2HD ARG 55 -1.820 -15.191 4.059 481 HE ARG 55 HE ARG 55 -0.281 -16.274 1.890 482 HH11 ARG 55 1HH1 ARG 55 -2.777 -17.341 4.180 483 HH12 ARG 55 2HH1 ARG 55 -3.367 -18.555 3.081 484 HH21 ARG 55 1HH2 ARG 55 -1.069 -17.789 0.591 485 HH22 ARG 55 2HH2 ARG 55 -2.417 -18.804 1.056 486 H TRP 56 H TRP 56 0.962 -13.263 7.925 487 HA TRP 56 HA TRP 56 2.706 -11.025 7.735 488 HB2 TRP 56 1HB TRP 56 0.588 -11.324 9.125 489 HB3 TRP 56 2HB TRP 56 1.598 -12.167 10.308 490 HD1 TRP 56 HD1 TRP 56 2.375 -10.573 12.171 491 HE1 TRP 56 HE1 TRP 56 2.962 -8.111 12.454 492 HE3 TRP 56 HE3 TRP 56 1.570 -9.104 7.337 493 HZ2 TRP 56 HZ2 TRP 56 3.115 -5.810 10.787 494 HZ3 TRP 56 HZ3 TRP 56 1.984 -6.713 6.730 495 HH2 TRP 56 HH2 TRP 56 2.732 -5.082 8.462 496 H ARG 57 H ARG 57 3.236 -14.283 9.010 497 HA ARG 57 HA ARG 57 5.568 -13.804 10.570 498 HB2 ARG 57 1HB ARG 57 5.141 -16.122 8.617 499 HB3 ARG 57 2HB ARG 57 6.325 -16.073 9.906 500 HG2 ARG 57 1HG ARG 57 3.362 -16.270 10.121 501 HG3 ARG 57 2HG ARG 57 4.559 -17.467 10.587 502 HD2 ARG 57 1HD ARG 57 4.657 -14.784 11.907 503 HD3 ARG 57 2HD ARG 57 3.341 -15.843 12.264 504 HE ARG 57 HE ARG 57 4.804 -17.261 13.432 505 HH11 ARG 57 1HH1 ARG 57 6.797 -14.973 11.582 506 HH12 ARG 57 2HH1 ARG 57 8.267 -15.501 12.333 507 HH21 ARG 57 1HH2 ARG 57 6.742 -17.852 14.357 508 HH22 ARG 57 2HH2 ARG 57 8.226 -17.071 13.879 509 H ARG 58 H ARG 58 5.196 -14.524 7.211 510 HA ARG 58 HA ARG 58 7.895 -14.538 6.452 511 HB2 ARG 58 1HB ARG 58 5.673 -13.408 4.706 512 HB3 ARG 58 2HB ARG 58 7.211 -14.097 4.182 513 HG2 ARG 58 1HG ARG 58 6.272 -16.219 5.531 514 HG3 ARG 58 2HG ARG 58 4.723 -15.464 5.122 515 HD2 ARG 58 1HD ARG 58 6.921 -16.285 3.175 516 HD3 ARG 58 2HD ARG 58 5.399 -17.134 3.438 517 HE ARG 58 HE ARG 58 4.204 -15.366 2.316 518 HH11 ARG 58 1HH1 ARG 58 7.730 -15.007 2.059 519 HH12 ARG 58 2HH1 ARG 58 7.597 -13.977 0.659 520 HH21 ARG 58 1HH2 ARG 58 4.127 -14.083 0.572 521 HH22 ARG 58 2HH2 ARG 58 5.590 -13.463 -0.174 522 H VAL 59 H VAL 59 5.885 -11.711 7.081 523 HA VAL 59 HA VAL 59 7.705 -9.836 5.871 524 HB VAL 59 HB VAL 59 5.656 -9.368 8.073 525 HG11 VAL 59 1HG1 VAL 59 7.021 -7.493 6.119 526 HG12 VAL 59 2HG1 VAL 59 5.645 -7.054 7.169 527 HG13 VAL 59 3HG1 VAL 59 7.194 -7.522 7.887 528 HG21 VAL 59 3HG2 VAL 59 4.553 -10.382 6.186 529 HG22 VAL 59 1HG2 VAL 59 4.169 -8.654 6.209 530 HG23 VAL 59 2HG2 VAL 59 5.374 -9.277 5.057 531 H GLY 60 H GLY 60 7.216 -11.026 9.207 532 HA2 GLY 60 1HA GLY 60 9.219 -9.232 10.293 533 HA3 GLY 60 2HA GLY 60 8.452 -10.610 11.116 534 H ASP 61 H ASP 61 9.095 -12.552 9.104 535 HA ASP 61 HA ASP 61 11.708 -13.350 9.957 536 HB2 ASP 61 1HB ASP 61 10.084 -14.240 7.531 537 HB3 ASP 61 2HB ASP 61 11.467 -15.106 8.217 538 H CYS 62 H CYS 62 10.427 -11.672 7.077 539 HA CYS 62 HA CYS 62 12.857 -11.507 5.594 540 HB2 CYS 62 1HB CYS 62 10.192 -10.373 5.522 541 HB3 CYS 62 2HB CYS 62 11.379 -9.107 5.234 542 HG CYS 62 HG CYS 62 10.606 -9.730 2.966 543 H PHE 63 H PHE 63 11.411 -9.285 8.043 544 HA PHE 63 HA PHE 63 13.484 -7.309 7.793 545 HB2 PHE 63 1HB PHE 63 11.826 -8.012 10.239 546 HB3 PHE 63 2HB PHE 63 12.782 -6.553 10.042 547 HD1 PHE 63 HD1 PHE 63 11.904 -6.190 6.971 548 HD2 PHE 63 HD2 PHE 63 9.795 -6.751 10.687 549 HE1 PHE 63 HE1 PHE 63 9.937 -4.996 6.034 550 HE2 PHE 63 HE2 PHE 63 7.836 -5.532 9.758 551 HZ PHE 63 HZ PHE 63 7.901 -4.661 7.421 552 H GLN 64 H GLN 64 13.123 -10.265 9.745 553 HA GLN 64 HA GLN 64 15.376 -9.812 11.440 554 HB2 GLN 64 1HB GLN 64 13.644 -11.519 11.885 555 HB3 GLN 64 2HB GLN 64 14.143 -12.406 10.447 556 HG2 GLN 64 1HG GLN 64 16.395 -12.754 11.465 557 HG3 GLN 64 2HG GLN 64 15.800 -11.978 12.946 558 HE21 GLN 64 2HE2 GLN 64 15.460 -14.729 10.765 559 HE22 GLN 64 1HE2 GLN 64 14.666 -15.772 11.924 560 H ASP 65 H ASP 65 15.069 -11.574 8.299 561 HA ASP 65 HA ASP 65 17.847 -12.341 8.351 562 HB2 ASP 65 1HB ASP 65 15.768 -12.222 6.149 563 HB3 ASP 65 2HB ASP 65 17.426 -12.786 5.886 564 H TYR 66 H TYR 66 16.113 -9.550 6.949 565 HA TYR 66 HA TYR 66 18.403 -8.531 5.524 566 HB2 TYR 66 1HB TYR 66 15.901 -7.890 5.356 567 HB3 TYR 66 2HB TYR 66 16.208 -6.835 6.729 568 HD1 TYR 66 HD1 TYR 66 18.350 -5.180 6.376 569 HD2 TYR 66 HD2 TYR 66 16.136 -7.052 3.194 570 HE1 TYR 66 HE1 TYR 66 19.131 -3.427 4.793 571 HE2 TYR 66 HE2 TYR 66 16.941 -5.291 1.616 572 HH TYR 66 HH TYR 66 19.048 -2.610 2.673 573 H PHE 67 H PHE 67 17.158 -8.158 8.854 574 HA PHE 67 HA PHE 67 19.114 -6.218 9.733 575 HB2 PHE 67 1HB PHE 67 16.990 -6.786 10.916 576 HB3 PHE 67 2HB PHE 67 17.631 -8.383 11.285 577 HD1 PHE 67 HD2 PHE 67 19.877 -8.456 12.680 578 HD2 PHE 67 HD1 PHE 67 17.252 -5.054 12.448 579 HE1 PHE 67 HE2 PHE 67 20.821 -7.590 14.808 580 HE2 PHE 67 HE1 PHE 67 18.163 -4.200 14.590 581 HZ PHE 67 HZ PHE 67 19.961 -5.460 15.776 582 H ASN 68 H ASN 68 18.992 -9.783 9.699 583 HA ASN 68 HA ASN 68 21.404 -10.284 11.110 584 HB2 ASN 68 1HB ASN 68 19.464 -11.838 10.459 585 HB3 ASN 68 2HB ASN 68 20.221 -11.965 8.868 586 HD21 ASN 68 2HD2 ASN 68 20.115 -14.236 9.557 587 HD22 ASN 68 1HD2 ASN 68 21.470 -14.865 10.463 588 H THR 69 H THR 69 20.803 -9.424 7.745 589 HA THR 69 HA THR 69 23.349 -10.253 6.712 590 HB THR 69 HB THR 69 21.533 -8.018 5.672 591 HG1 THR 69 HG1 THR 69 20.492 -10.119 5.952 592 HG21 THR 69 1HG2 THR 69 23.555 -9.818 4.274 593 HG22 THR 69 2HG2 THR 69 23.751 -8.077 4.584 594 HG23 THR 69 3HG2 THR 69 22.483 -8.647 3.476 595 H PHE 70 H PHE 70 22.214 -7.152 8.136 596 HA PHE 70 HA PHE 70 25.065 -6.234 8.004 597 HB2 PHE 70 1HB PHE 70 22.525 -4.733 7.403 598 HB3 PHE 70 2HB PHE 70 24.040 -3.917 7.792 599 HD1 PHE 70 HD2 PHE 70 26.129 -4.530 6.386 600 HD2 PHE 70 HD1 PHE 70 22.089 -5.380 5.173 601 HE1 PHE 70 HE2 PHE 70 26.881 -4.684 4.015 602 HE2 PHE 70 HE1 PHE 70 22.826 -5.528 2.798 603 HZ PHE 70 HZ PHE 70 25.227 -5.178 2.213 604 H GLY 71 H GLY 71 21.989 -5.617 9.794 605 HA2 GLY 71 1HA GLY 71 22.607 -5.652 12.327 606 HA3 GLY 71 2HA GLY 71 23.632 -4.286 11.868 607 HA PRO 72 HA PRO 72 19.348 -2.838 13.112 608 HB2 PRO 72 1HB PRO 72 20.094 -1.113 15.089 609 HB3 PRO 72 2HB PRO 72 19.949 -2.878 15.368 610 HG2 PRO 72 1HG PRO 72 22.410 -1.277 14.713 611 HG3 PRO 72 2HG PRO 72 22.140 -2.427 16.064 612 HD2 PRO 72 1HD PRO 72 23.377 -3.202 13.807 613 HD3 PRO 72 2HD PRO 72 22.213 -4.295 14.636 614 H GLU 73 H GLU 73 22.223 -1.292 11.954 615 HA GLU 73 HA GLU 73 20.924 1.315 11.619 616 HB2 GLU 73 1HB GLU 73 22.946 2.028 10.636 617 HB3 GLU 73 2HB GLU 73 23.373 1.008 12.005 618 HG2 GLU 73 1HG GLU 73 23.478 0.218 9.073 619 HG3 GLU 73 2HG GLU 73 24.859 0.635 10.093 620 H LYS 74 H LYS 74 20.803 -1.673 10.040 621 HA LYS 74 HA LYS 74 19.979 -0.393 7.465 622 HB2 LYS 74 1HB LYS 74 21.117 -2.988 8.194 623 HB3 LYS 74 2HB LYS 74 19.693 -3.138 7.159 624 HG2 LYS 74 1HG LYS 74 21.614 -3.040 5.735 625 HG3 LYS 74 2HG LYS 74 20.753 -1.499 5.556 626 HD2 LYS 74 1HD LYS 74 22.331 -0.359 6.944 627 HD3 LYS 74 2HD LYS 74 22.989 -1.889 7.521 628 HE2 LYS 74 1HE LYS 74 23.721 -2.351 5.136 629 HE3 LYS 74 2HE LYS 74 23.389 -0.623 4.828 630 HZ1 LYS 74 3HZ LYS 74 25.119 -1.666 7.010 631 HZ2 LYS 74 1HZ LYS 74 24.888 -0.078 6.635 632 HZ3 LYS 74 2HZ LYS 74 25.694 -1.064 5.582 633 H VAL 75 H VAL 75 18.718 -2.621 10.008 634 HA VAL 75 HA VAL 75 16.004 -1.770 9.034 635 HB VAL 75 HB VAL 75 16.741 -4.361 10.481 636 HG11 VAL 75 1HG1 VAL 75 14.481 -3.570 11.082 637 HG12 VAL 75 2HG1 VAL 75 14.067 -3.414 9.357 638 HG13 VAL 75 3HG1 VAL 75 14.390 -5.014 10.060 639 HG21 VAL 75 3HG2 VAL 75 15.943 -3.867 7.599 640 HG22 VAL 75 1HG2 VAL 75 17.496 -4.491 8.206 641 HG23 VAL 75 2HG2 VAL 75 16.029 -5.467 8.377 642 HA PRO 76 HA PRO 76 16.350 -0.140 13.104 643 HB2 PRO 76 1HB PRO 76 13.999 1.141 13.410 644 HB3 PRO 76 2HB PRO 76 15.233 1.729 12.277 645 HG2 PRO 76 1HG PRO 76 12.795 0.100 11.718 646 HG3 PRO 76 2HG PRO 76 13.388 1.560 10.875 647 HD2 PRO 76 1HD PRO 76 13.844 -0.986 9.968 648 HD3 PRO 76 2HD PRO 76 14.997 0.366 9.699 649 H VAL 77 H VAL 77 15.696 -0.628 15.232 650 HA VAL 77 HA VAL 77 14.304 -3.090 15.597 651 HB VAL 77 HB VAL 77 14.390 -2.560 18.028 652 HG11 VAL 77 1HG1 VAL 77 16.840 -2.601 18.202 653 HG12 VAL 77 2HG1 VAL 77 16.309 -3.618 16.846 654 HG13 VAL 77 3HG1 VAL 77 17.000 -2.008 16.533 655 HG21 VAL 77 3HG2 VAL 77 15.535 -0.518 18.793 656 HG22 VAL 77 1HG2 VAL 77 15.671 0.066 17.123 657 HG23 VAL 77 2HG2 VAL 77 14.071 -0.097 17.888 658 H THR 78 H THR 78 13.132 0.193 15.315 659 HA THR 78 HA THR 78 10.626 -0.294 16.658 660 HB THR 78 HB THR 78 11.351 1.993 16.326 661 HG1 THR 78 HG1 THR 78 9.100 1.550 16.376 662 HG21 THR 78 1HG2 THR 78 12.518 2.174 14.344 663 HG22 THR 78 2HG2 THR 78 11.010 3.026 14.013 664 HG23 THR 78 3HG2 THR 78 11.236 1.381 13.396 665 H ALA 79 H ALA 79 11.849 -1.110 13.462 666 HA ALA 79 HA ALA 79 9.258 -1.343 12.240 667 HB1 ALA 79 3HB ALA 79 11.295 -1.252 10.951 668 HB2 ALA 79 1HB ALA 79 11.867 -2.769 11.682 669 HB3 ALA 79 2HB ALA 79 10.438 -2.776 10.618 670 H PHE 80 H PHE 80 11.245 -3.568 14.201 671 HA PHE 80 HA PHE 80 9.444 -5.812 13.870 672 HB2 PHE 80 1HB PHE 80 11.431 -5.217 16.094 673 HB3 PHE 80 2HB PHE 80 10.673 -6.779 15.767 674 HD1 PHE 80 HD2 PHE 80 13.184 -4.336 14.639 675 HD2 PHE 80 HD1 PHE 80 11.404 -8.166 13.875 676 HE1 PHE 80 HE2 PHE 80 15.075 -4.882 13.139 677 HE2 PHE 80 HE1 PHE 80 13.288 -8.741 12.354 678 HZ PHE 80 HZ PHE 80 15.121 -7.094 11.964 679 H SER 81 H SER 81 9.716 -3.084 16.105 680 HA SER 81 HA SER 81 7.831 -4.053 18.049 681 HB2 SER 81 1HB SER 81 9.422 -2.208 18.498 682 HB3 SER 81 2HB SER 81 8.584 -1.196 17.306 683 HG SER 81 HG SER 81 7.477 -2.259 19.700 684 H TYR 82 H TYR 82 7.522 -1.915 15.178 685 HA TYR 82 HA TYR 82 4.680 -1.559 15.424 686 HB2 TYR 82 1HB TYR 82 6.761 -1.147 13.328 687 HB3 TYR 82 2HB TYR 82 5.096 -1.352 12.762 688 HD1 TYR 82 HD2 TYR 82 7.276 0.769 14.951 689 HD2 TYR 82 HD1 TYR 82 3.454 0.325 13.016 690 HE1 TYR 82 HE2 TYR 82 6.739 3.145 15.470 691 HE2 TYR 82 HE1 TYR 82 2.931 2.726 13.538 692 HH TYR 82 HH TYR 82 5.230 4.839 15.262 693 H TRP 83 H TRP 83 6.732 -3.955 13.721 694 HA TRP 83 HA TRP 83 4.672 -5.272 12.335 695 HB2 TRP 83 1HB TRP 83 7.100 -5.742 12.058 696 HB3 TRP 83 2HB TRP 83 7.146 -6.456 13.665 697 HD1 TRP 83 HD1 TRP 83 5.899 -7.212 10.129 698 HE1 TRP 83 HE1 TRP 83 5.397 -9.693 9.875 699 HE3 TRP 83 HE3 TRP 83 6.470 -8.575 15.042 700 HZ2 TRP 83 HZ2 TRP 83 5.316 -11.979 11.555 701 HZ3 TRP 83 HZ3 TRP 83 6.210 -10.977 15.647 702 HH2 TRP 83 HH2 TRP 83 5.635 -12.665 13.905 703 H ASN 84 H ASN 84 5.743 -5.563 15.703 704 HA ASN 84 HA ASN 84 4.191 -7.864 16.347 705 HB2 ASN 84 1HB ASN 84 6.135 -6.437 17.583 706 HB3 ASN 84 2HB ASN 84 4.724 -5.840 18.464 707 HD21 ASN 84 2HD2 ASN 84 6.811 -7.317 19.592 708 HD22 ASN 84 1HD2 ASN 84 6.177 -8.858 20.095 709 H LEU 85 H LEU 85 3.472 -4.386 16.405 710 HA LEU 85 HA LEU 85 1.052 -4.539 17.913 711 HB2 LEU 85 1HB LEU 85 2.366 -2.491 17.364 712 HB3 LEU 85 2HB LEU 85 1.818 -2.590 15.703 713 HG LEU 85 HG LEU 85 -0.154 -2.289 17.969 714 HD11 LEU 85 1HD1 LEU 85 0.019 0.167 17.634 715 HD12 LEU 85 2HD1 LEU 85 1.394 -0.092 16.537 716 HD13 LEU 85 3HD1 LEU 85 1.529 -0.534 18.255 717 HD21 LEU 85 3HD2 LEU 85 -1.457 -1.057 16.207 718 HD22 LEU 85 1HD2 LEU 85 -1.183 -2.759 15.807 719 HD23 LEU 85 2HD2 LEU 85 -0.207 -1.498 15.022 720 H ILE 86 H ILE 86 1.675 -4.782 14.367 721 HA ILE 86 HA ILE 86 -1.174 -5.211 13.859 722 HB ILE 86 HB ILE 86 1.236 -5.636 12.031 723 HG12 ILE 86 1HG1 ILE 86 -0.076 -3.624 10.883 724 HG13 ILE 86 2HG1 ILE 86 -0.671 -3.342 12.518 725 HG21 ILE 86 1HG2 ILE 86 -0.533 -5.634 10.215 726 HG22 ILE 86 2HG2 ILE 86 -0.578 -7.052 11.271 727 HG23 ILE 86 3HG2 ILE 86 -1.769 -5.753 11.503 728 HD11 ILE 86 3HD1 ILE 86 1.394 -2.023 11.744 729 HD12 ILE 86 1HD1 ILE 86 1.506 -2.828 13.321 730 HD13 ILE 86 2HD1 ILE 86 2.298 -3.549 11.901 731 H LYS 87 H LYS 87 1.694 -7.192 14.498 732 HA LYS 87 HA LYS 87 0.720 -9.684 13.600 733 HB2 LYS 87 1HB LYS 87 3.041 -9.236 14.430 734 HB3 LYS 87 2HB LYS 87 2.395 -9.091 16.059 735 HG2 LYS 87 1HG LYS 87 1.463 -11.519 15.436 736 HG3 LYS 87 2HG LYS 87 2.921 -11.479 14.435 737 HD2 LYS 87 1HD LYS 87 3.874 -12.219 16.388 738 HD3 LYS 87 2HD LYS 87 3.961 -10.488 16.693 739 HE2 LYS 87 1HE LYS 87 3.066 -11.586 18.678 740 HE3 LYS 87 2HE LYS 87 1.808 -10.584 17.944 741 HZ1 LYS 87 3HZ LYS 87 0.839 -12.609 16.984 742 HZ2 LYS 87 1HZ LYS 87 0.941 -12.747 18.620 743 HZ3 LYS 87 2HZ LYS 87 2.015 -13.541 17.659 744 H GLU 88 H GLU 88 0.381 -8.144 16.860 745 HA GLU 88 HA GLU 88 -1.252 -10.320 17.805 746 HB2 GLU 88 1HB GLU 88 -1.797 -8.888 19.692 747 HB3 GLU 88 2HB GLU 88 -0.064 -8.865 19.351 748 HG2 GLU 88 1HG GLU 88 -0.289 -6.698 18.255 749 HG3 GLU 88 2HG GLU 88 -2.032 -6.710 18.543 750 H LEU 89 H LEU 89 -2.013 -7.371 15.993 751 HA LEU 89 HA LEU 89 -4.827 -7.474 16.489 752 HB2 LEU 89 1HB LEU 89 -3.170 -6.231 14.315 753 HB3 LEU 89 2HB LEU 89 -4.926 -6.207 14.256 754 HG LEU 89 HG LEU 89 -3.223 -4.980 16.449 755 HD11 LEU 89 1HD1 LEU 89 -4.881 -3.729 14.223 756 HD12 LEU 89 2HD1 LEU 89 -3.104 -3.784 14.301 757 HD13 LEU 89 3HD1 LEU 89 -4.013 -2.845 15.500 758 HD21 LEU 89 3HD2 LEU 89 -6.219 -5.241 16.115 759 HD22 LEU 89 1HD2 LEU 89 -5.515 -3.898 17.028 760 HD23 LEU 89 2HD2 LEU 89 -5.223 -5.569 17.544 761 H ILE 90 H ILE 90 -2.812 -9.016 13.962 762 HA ILE 90 HA ILE 90 -5.207 -10.143 12.689 763 HB ILE 90 HB ILE 90 -2.302 -11.050 12.363 764 HG12 ILE 90 1HG1 ILE 90 -3.849 -9.222 10.491 765 HG13 ILE 90 2HG1 ILE 90 -2.790 -8.596 11.756 766 HG21 ILE 90 1HG2 ILE 90 -3.183 -11.994 10.188 767 HG22 ILE 90 2HG2 ILE 90 -3.971 -12.724 11.597 768 HG23 ILE 90 3HG2 ILE 90 -4.820 -11.478 10.659 769 HD11 ILE 90 3HD1 ILE 90 -0.862 -9.848 10.761 770 HD12 ILE 90 1HD1 ILE 90 -1.920 -10.379 9.432 771 HD13 ILE 90 2HD1 ILE 90 -1.561 -8.652 9.648 772 H ASP 91 H ASP 91 -2.669 -11.202 14.950 773 HA ASP 91 HA ASP 91 -3.273 -13.966 15.062 774 HB2 ASP 91 1HB ASP 91 -1.285 -12.700 16.014 775 HB3 ASP 91 2HB ASP 91 -2.318 -12.198 17.357 776 H LYS 92 H LYS 92 -4.639 -11.195 16.831 777 HA LYS 92 HA LYS 92 -6.702 -13.050 17.953 778 HB2 LYS 92 1HB LYS 92 -5.574 -10.444 19.014 779 HB3 LYS 92 2HB LYS 92 -6.975 -11.261 19.712 780 HG2 LYS 92 1HG LYS 92 -4.310 -12.667 19.412 781 HG3 LYS 92 2HG LYS 92 -4.702 -11.678 20.826 782 HD2 LYS 92 1HD LYS 92 -6.156 -13.198 21.678 783 HD3 LYS 92 2HD LYS 92 -6.804 -13.650 20.095 784 HE2 LYS 92 1HE LYS 92 -4.017 -14.496 20.912 785 HE3 LYS 92 2HE LYS 92 -5.444 -15.406 21.451 786 HZ1 LYS 92 3HZ LYS 92 -4.721 -14.881 18.622 787 HZ2 LYS 92 1HZ LYS 92 -6.071 -15.702 19.133 788 HZ3 LYS 92 2HZ LYS 92 -4.560 -16.314 19.410 789 H LYS 93 H LYS 93 -6.803 -11.928 15.266 790 HA LYS 93 HA LYS 93 -8.610 -9.702 15.202 791 HB2 LYS 93 1HB LYS 93 -9.082 -10.278 12.940 792 HB3 LYS 93 2HB LYS 93 -7.365 -10.543 13.236 793 HG2 LYS 93 1HG LYS 93 -7.876 -13.007 13.507 794 HG3 LYS 93 2HG LYS 93 -9.534 -12.649 12.982 795 HD2 LYS 93 1HD LYS 93 -8.624 -11.670 10.881 796 HD3 LYS 93 2HD LYS 93 -6.987 -12.091 11.414 797 HE2 LYS 93 1HE LYS 93 -7.713 -13.783 9.875 798 HE3 LYS 93 2HE LYS 93 -7.701 -14.499 11.501 799 HZ1 LYS 93 3HZ LYS 93 -10.115 -13.437 10.135 800 HZ2 LYS 93 1HZ LYS 93 -10.087 -14.182 11.605 801 HZ3 LYS 93 2HZ LYS 93 -9.721 -15.038 10.242 802 H GLU 94 H GLU 94 -8.967 -12.994 16.049 803 HA GLU 94 HA GLU 94 -11.721 -13.462 15.600 804 HB2 GLU 94 1HB GLU 94 -11.386 -15.252 17.298 805 HB3 GLU 94 2HB GLU 94 -10.140 -15.216 16.042 806 HG2 GLU 94 1HG GLU 94 -8.662 -13.926 17.652 807 HG3 GLU 94 2HG GLU 94 -9.862 -14.231 18.904 808 H VAL 95 H VAL 95 -10.117 -11.666 18.221 809 HA VAL 95 HA VAL 95 -12.824 -11.285 19.460 810 HB VAL 95 HB VAL 95 -11.604 -10.712 21.575 811 HG11 VAL 95 1HG1 VAL 95 -11.110 -13.018 22.223 812 HG12 VAL 95 2HG1 VAL 95 -12.561 -12.964 21.201 813 HG13 VAL 95 3HG1 VAL 95 -11.016 -13.506 20.519 814 HG21 VAL 95 3HG2 VAL 95 -9.152 -11.858 20.167 815 HG22 VAL 95 1HG2 VAL 95 -9.402 -10.134 20.535 816 HG23 VAL 95 2HG2 VAL 95 -9.256 -11.310 21.852 817 H ASN 96 H ASN 96 -10.936 -9.905 17.318 818 HA ASN 96 HA ASN 96 -11.540 -7.137 18.302 819 HB2 ASN 96 1HB ASN 96 -9.123 -8.186 16.808 820 HB3 ASN 96 2HB ASN 96 -9.617 -6.489 16.716 821 HD21 ASN 96 2HD2 ASN 96 -8.074 -8.897 18.618 822 HD22 ASN 96 1HD2 ASN 96 -7.660 -7.836 19.951 823 HA PRO 97 HA PRO 97 -13.753 -8.391 14.470 824 HB2 PRO 97 1HB PRO 97 -16.154 -7.158 14.932 825 HB3 PRO 97 2HB PRO 97 -15.724 -8.751 15.635 826 HG2 PRO 97 1HG PRO 97 -15.489 -6.020 16.885 827 HG3 PRO 97 2HG PRO 97 -16.278 -7.494 17.536 828 HD2 PRO 97 1HD PRO 97 -13.774 -6.841 18.261 829 HD3 PRO 97 2HD PRO 97 -14.217 -8.556 17.944 830 H GLN 98 H GLN 98 -13.122 -5.246 15.872 831 HA GLN 98 HA GLN 98 -14.032 -3.634 13.694 832 HB2 GLN 98 1HB GLN 98 -13.134 -2.996 16.112 833 HB3 GLN 98 2HB GLN 98 -11.558 -2.953 15.312 834 HG2 GLN 98 1HG GLN 98 -13.994 -1.283 14.598 835 HG3 GLN 98 2HG GLN 98 -12.531 -0.723 15.425 836 HE21 GLN 98 2HE2 GLN 98 -14.029 -0.438 12.639 837 HE22 GLN 98 1HE2 GLN 98 -12.666 -0.401 11.538 838 H VAL 99 H VAL 99 -10.844 -5.076 14.529 839 HA VAL 99 HA VAL 99 -9.766 -4.150 12.029 840 HB VAL 99 HB VAL 99 -7.665 -4.998 12.646 841 HG11 VAL 99 1HG1 VAL 99 -8.917 -4.279 15.326 842 HG12 VAL 99 2HG1 VAL 99 -7.286 -3.913 14.726 843 HG13 VAL 99 3HG1 VAL 99 -8.686 -3.084 14.024 844 HG21 VAL 99 3HG2 VAL 99 -9.094 -6.785 14.627 845 HG22 VAL 99 1HG2 VAL 99 -8.124 -7.272 13.229 846 HG23 VAL 99 2HG2 VAL 99 -7.344 -6.521 14.628 847 H MET 100 H MET 100 -11.351 -7.086 13.082 848 HA MET 100 HA MET 100 -10.387 -8.827 11.048 849 HB2 MET 100 1HB MET 100 -11.738 -9.639 12.881 850 HB3 MET 100 2HB MET 100 -13.095 -8.625 12.395 851 HG2 MET 100 1HG MET 100 -13.427 -10.995 11.807 852 HG3 MET 100 2HG MET 100 -13.458 -9.921 10.403 853 HE1 MET 100 3HE MET 100 -12.500 -10.414 8.338 854 HE2 MET 100 1HE MET 100 -11.469 -11.827 7.988 855 HE3 MET 100 2HE MET 100 -13.106 -12.060 8.652 856 H ALA 101 H ALA 101 -12.909 -6.255 10.931 857 HA ALA 101 HA ALA 101 -13.710 -6.918 8.243 858 HB1 ALA 101 3HB ALA 101 -14.492 -4.451 8.239 859 HB2 ALA 101 1HB ALA 101 -15.158 -5.482 9.547 860 HB3 ALA 101 2HB ALA 101 -13.827 -4.342 9.877 861 H ALA 102 H ALA 102 -11.011 -5.068 9.606 862 HA ALA 102 HA ALA 102 -10.296 -3.798 7.103 863 HB1 ALA 102 3HB ALA 102 -9.730 -2.779 9.288 864 HB2 ALA 102 1HB ALA 102 -8.690 -4.170 9.673 865 HB3 ALA 102 2HB ALA 102 -8.266 -3.094 8.330 866 H VAL 103 H VAL 103 -9.528 -6.820 8.770 867 HA VAL 103 HA VAL 103 -7.264 -7.636 7.197 868 HB VAL 103 HB VAL 103 -9.521 -9.231 8.527 869 HG11 VAL 103 1HG1 VAL 103 -8.284 -11.247 8.309 870 HG12 VAL 103 2HG1 VAL 103 -8.418 -10.550 6.687 871 HG13 VAL 103 3HG1 VAL 103 -6.907 -10.403 7.600 872 HG21 VAL 103 3HG2 VAL 103 -8.041 -7.894 10.030 873 HG22 VAL 103 1HG2 VAL 103 -7.931 -9.632 10.320 874 HG23 VAL 103 2HG2 VAL 103 -6.647 -8.799 9.417 875 H ALA 104 H ALA 104 -10.804 -8.067 6.766 876 HA ALA 104 HA ALA 104 -10.545 -9.400 4.241 877 HB1 ALA 104 3HB ALA 104 -12.893 -7.827 5.394 878 HB2 ALA 104 1HB ALA 104 -12.966 -8.986 4.044 879 HB3 ALA 104 2HB ALA 104 -12.552 -9.552 5.682 880 H GLN 105 H GLN 105 -11.106 -5.944 5.104 881 HA GLN 105 HA GLN 105 -11.389 -5.096 2.382 882 HB2 GLN 105 1HB GLN 105 -10.717 -3.682 4.952 883 HB3 GLN 105 2HB GLN 105 -10.555 -2.856 3.393 884 HG2 GLN 105 1HG GLN 105 -12.970 -3.738 2.955 885 HG3 GLN 105 2HG GLN 105 -13.036 -3.893 4.718 886 HE21 GLN 105 2HE2 GLN 105 -13.646 -2.156 5.812 887 HE22 GLN 105 1HE2 GLN 105 -13.650 -0.515 5.193 888 H THR 106 H THR 106 -8.465 -5.565 4.399 889 HA THR 106 HA THR 106 -6.732 -4.197 2.560 890 HB THR 106 HB THR 106 -5.977 -6.540 4.354 891 HG1 THR 106 HG1 THR 106 -6.945 -4.904 5.583 892 HG21 THR 106 1HG2 THR 106 -4.380 -4.189 3.262 893 HG22 THR 106 2HG2 THR 106 -4.244 -5.874 2.712 894 HG23 THR 106 3HG2 THR 106 -3.768 -5.440 4.364 895 H GLU 107 H GLU 107 -7.878 -7.619 2.804 896 HA GLU 107 HA GLU 107 -6.379 -8.549 0.550 897 HB2 GLU 107 1HB GLU 107 -9.097 -9.447 1.570 898 HB3 GLU 107 2HB GLU 107 -8.153 -10.280 0.330 899 HG2 GLU 107 1HG GLU 107 -6.297 -10.498 1.983 900 HG3 GLU 107 2HG GLU 107 -7.380 -9.849 3.215 901 H GLU 108 H GLU 108 -9.633 -6.992 0.739 902 HA GLU 108 HA GLU 108 -10.251 -7.221 -2.037 903 HB2 GLU 108 1HB GLU 108 -10.965 -5.153 0.058 904 HB3 GLU 108 2HB GLU 108 -11.418 -4.932 -1.624 905 HG2 GLU 108 1HG GLU 108 -12.627 -7.117 -1.526 906 HG3 GLU 108 2HG GLU 108 -12.312 -7.144 0.222 907 H ILE 109 H ILE 109 -8.461 -4.688 -0.258 908 HA ILE 109 HA ILE 109 -8.151 -3.002 -2.572 909 HB ILE 109 HB ILE 109 -6.665 -3.095 0.094 910 HG12 ILE 109 1HG1 ILE 109 -8.720 -1.092 -0.898 911 HG13 ILE 109 2HG1 ILE 109 -9.202 -2.567 -0.083 912 HG21 ILE 109 1HG2 ILE 109 -5.195 -1.962 -1.522 913 HG22 ILE 109 2HG2 ILE 109 -6.547 -0.990 -2.140 914 HG23 ILE 109 3HG2 ILE 109 -5.935 -0.728 -0.492 915 HD11 ILE 109 3HD1 ILE 109 -7.792 -1.879 1.880 916 HD12 ILE 109 1HD1 ILE 109 -7.577 -0.302 1.076 917 HD13 ILE 109 2HD1 ILE 109 -9.202 -0.855 1.540 918 H LEU 110 H LEU 110 -6.093 -5.529 -1.094 919 HA LEU 110 HA LEU 110 -3.844 -4.981 -2.823 920 HB2 LEU 110 1HB LEU 110 -4.680 -7.168 -0.964 921 HB3 LEU 110 2HB LEU 110 -3.444 -7.543 -2.159 922 HG LEU 110 HG LEU 110 -1.883 -6.081 -1.239 923 HD11 LEU 110 1HD1 LEU 110 -2.305 -4.425 0.566 924 HD12 LEU 110 2HD1 LEU 110 -4.049 -4.723 0.406 925 HD13 LEU 110 3HD1 LEU 110 -3.135 -4.014 -0.943 926 HD21 LEU 110 3HD2 LEU 110 -2.158 -8.024 0.165 927 HD22 LEU 110 1HD2 LEU 110 -3.501 -7.265 1.045 928 HD23 LEU 110 2HD2 LEU 110 -1.845 -6.633 1.211 929 H LYS 111 H LYS 111 -6.615 -7.280 -3.073 930 HA LYS 111 HA LYS 111 -5.744 -8.284 -5.643 931 HB2 LYS 111 1HB LYS 111 -8.495 -8.249 -4.348 932 HB3 LYS 111 2HB LYS 111 -8.054 -9.185 -5.781 933 HG2 LYS 111 1HG LYS 111 -6.822 -9.556 -3.017 934 HG3 LYS 111 2HG LYS 111 -8.100 -10.563 -3.708 935 HD2 LYS 111 1HD LYS 111 -6.604 -11.276 -5.495 936 HD3 LYS 111 2HD LYS 111 -5.352 -10.157 -4.914 937 HE2 LYS 111 1HE LYS 111 -4.929 -12.512 -4.234 938 HE3 LYS 111 2HE LYS 111 -5.048 -11.374 -2.900 939 HZ1 LYS 111 3HZ LYS 111 -6.179 -13.404 -2.405 940 HZ2 LYS 111 1HZ LYS 111 -7.198 -13.207 -3.691 941 HZ3 LYS 111 2HZ LYS 111 -7.240 -12.146 -2.425 942 H SER 112 H SER 112 -7.350 -5.363 -4.679 943 HA SER 112 HA SER 112 -8.493 -4.821 -7.330 944 HB2 SER 112 1HB SER 112 -9.360 -3.899 -5.149 945 HB3 SER 112 2HB SER 112 -7.911 -2.903 -5.044 946 HG SER 112 HG SER 112 -8.589 -2.216 -7.278 947 H ASN 113 H ASN 113 -5.466 -4.786 -5.913 948 HA ASN 113 HA ASN 113 -4.419 -2.536 -7.543 949 HB2 ASN 113 1HB ASN 113 -3.811 -3.709 -4.962 950 HB3 ASN 113 2HB ASN 113 -2.366 -3.683 -5.966 951 HD21 ASN 113 2HD2 ASN 113 -4.856 -1.785 -4.446 952 HD22 ASN 113 1HD2 ASN 113 -4.054 -0.227 -4.634 953 H SER 114 H SER 114 -1.990 -3.053 -8.171 954 HA SER 114 HA SER 114 -0.657 -3.935 -9.683 955 HB2 SER 114 1HB SER 114 -1.686 -6.653 -8.915 956 HB3 SER 114 2HB SER 114 -0.046 -6.144 -9.361 957 HG SER 114 HG SER 114 -1.442 -5.794 -6.950 958 H GLN 115 H GLN 115 -0.963 -6.311 -11.145 959 HA GLN 115 HA GLN 115 -2.621 -5.294 -13.311 960 HB2 GLN 115 1HB GLN 115 -0.350 -6.445 -13.497 961 HB3 GLN 115 2HB GLN 115 -1.182 -7.965 -13.147 962 HG2 GLN 115 1HG GLN 115 -2.555 -7.682 -15.171 963 HG3 GLN 115 2HG GLN 115 -1.770 -6.132 -15.501 964 HE21 GLN 115 2HE2 GLN 115 -1.740 -9.429 -16.092 965 HE22 GLN 115 1HE2 GLN 115 -0.133 -9.548 -16.774 966 H THR 116 H THR 116 -3.195 -7.258 -10.619 967 HA THR 116 HA THR 116 -4.802 -8.704 -9.951 968 HB THR 116 HB THR 116 -6.552 -7.549 -12.137 969 HG1 THR 116 HG1 THR 116 -5.627 -6.311 -9.754 970 HG21 THR 116 1HG2 THR 116 -7.947 -8.938 -10.847 971 HG22 THR 116 2HG2 THR 116 -8.090 -7.411 -9.966 972 HG23 THR 116 3HG2 THR 116 -6.999 -8.675 -9.362 973 H ASP 117 H ASP 117 -6.824 -10.110 -11.489 974 HA ASP 117 HA ASP 117 -5.541 -11.531 -13.684 975 HB2 ASP 117 1HB ASP 117 -4.696 -12.638 -11.482 976 HB3 ASP 117 2HB ASP 117 -6.392 -13.015 -11.143 977 H LEU 118 H LEU 118 -7.582 -13.502 -13.660 978 HA LEU 118 HA LEU 118 -9.942 -12.203 -14.420 979 HB2 LEU 118 1HB LEU 118 -11.053 -14.393 -13.873 980 HB3 LEU 118 2HB LEU 118 -9.636 -14.497 -14.909 981 HG LEU 118 HG LEU 118 -8.673 -14.761 -12.235 982 HD11 LEU 118 1HD1 LEU 118 -10.985 -15.273 -11.545 983 HD12 LEU 118 2HD1 LEU 118 -9.957 -16.713 -11.428 984 HD13 LEU 118 3HD1 LEU 118 -11.095 -16.546 -12.787 985 HD21 LEU 118 3HD2 LEU 118 -8.036 -17.012 -12.990 986 HD22 LEU 118 1HD2 LEU 118 -7.728 -15.821 -14.263 987 HD23 LEU 118 2HD2 LEU 118 -9.148 -16.890 -14.376 988 H GLU 119 H GLU 119 -11.691 -11.402 -13.505 989 HA GLU 119 HA GLU 119 -12.164 -11.765 -10.613 990 HB2 GLU 119 1HB GLU 119 -12.322 -9.361 -10.187 991 HB3 GLU 119 2HB GLU 119 -10.704 -9.838 -10.675 992 HG2 GLU 119 1HG GLU 119 -10.985 -7.862 -11.830 993 HG3 GLU 119 2HG GLU 119 -11.378 -9.068 -13.058 994 H HIS 120 H HIS 120 -14.270 -10.674 -9.991 995 HA HIS 120 HA HIS 120 -16.222 -10.723 -12.232 996 HB2 HIS 120 1HB HIS 120 -17.567 -12.246 -10.445 997 HB3 HIS 120 2HB HIS 120 -16.572 -12.906 -11.745 998 HD1 HIS 120 HD1 HIS 120 -16.261 -12.036 -8.011 999 HD2 HIS 120 HD2 HIS 120 -14.496 -14.501 -10.911 1000 HE1 HIS 120 HE1 HIS 120 -14.579 -13.534 -6.797 1001 H HIS 121 H HIS 121 -16.580 -8.527 -11.883 1002 HA HIS 121 HA HIS 121 -17.401 -7.603 -9.225 1003 HB2 HIS 121 1HB HIS 121 -17.703 -5.403 -10.487 1004 HB3 HIS 121 2HB HIS 121 -16.067 -6.069 -10.405 1005 HD1 HIS 121 HD1 HIS 121 -14.903 -6.819 -12.610 1006 HD2 HIS 121 HD2 HIS 121 -18.863 -5.474 -13.124 1007 HE1 HIS 121 HE1 HIS 121 -15.269 -6.509 -15.098 1008 H HIS 122 H HIS 122 -19.432 -8.184 -8.532 1009 HA HIS 122 HA HIS 122 -21.727 -8.351 -10.276 1010 HB2 HIS 122 1HB HIS 122 -21.549 -9.336 -7.945 1011 HB3 HIS 122 2HB HIS 122 -21.749 -7.702 -7.301 1012 HD1 HIS 122 HD1 HIS 122 -23.672 -10.659 -8.276 1013 HD2 HIS 122 HD2 HIS 122 -24.365 -6.518 -8.216 1014 HE1 HIS 122 HE1 HIS 122 -26.198 -10.325 -8.391 1015 H HIS 123 H HIS 123 -20.465 -5.754 -8.182 1016 HA HIS 123 HA HIS 123 -20.834 -3.499 -8.106 1017 HB2 HIS 123 1HB HIS 123 -20.101 -4.138 -10.634 1018 HB3 HIS 123 2HB HIS 123 -21.643 -3.360 -10.982 1019 HD1 HIS 123 HD1 HIS 123 -18.320 -2.622 -9.148 1020 HD2 HIS 123 HD2 HIS 123 -21.464 -0.593 -11.054 1021 HE1 HIS 123 HE1 HIS 123 -17.669 -0.160 -9.243 1022 H HIS 124 H HIS 124 -22.570 -1.783 -9.543 1023 HA HIS 124 HA HIS 124 -25.350 -2.670 -9.140 1024 HB2 HIS 124 1HB HIS 124 -24.232 -1.720 -6.889 1025 HB3 HIS 124 2HB HIS 124 -24.405 -0.160 -7.701 1026 HD1 HIS 124 HD1 HIS 124 -27.007 0.567 -8.326 1027 HD2 HIS 124 HD2 HIS 124 -26.505 -2.676 -5.677 1028 HE1 HIS 124 HE1 HIS 124 -29.218 0.225 -7.121 1029 H HIS 125 H HIS 125 -26.691 -0.837 -10.195 1030 HA HIS 125 HA HIS 125 -25.024 1.116 -11.690 1031 HB2 HIS 125 1HB HIS 125 -26.237 0.829 -13.720 1032 HB3 HIS 125 2HB HIS 125 -25.682 -0.783 -13.256 1033 HD1 HIS 125 HD1 HIS 125 -28.846 1.389 -12.827 1034 HD2 HIS 125 HD2 HIS 125 -27.731 -2.616 -13.415 1035 HE1 HIS 125 HE1 HIS 125 -31.007 0.040 -13.115 Start of MODEL 30 1 H21 MYR 1 1H2 MYR 1 1.271 0.327 -0.863 2 H22 MYR 1 2H2 MYR 1 2.463 0.123 0.417 3 H31 MYR 1 1H3 MYR 1 -0.197 -1.430 0.275 4 H32 MYR 1 2H3 MYR 1 1.311 -2.065 -0.368 5 H41 MYR 1 1H4 MYR 1 2.343 -2.167 1.843 6 H42 MYR 1 2H4 MYR 1 1.053 -1.224 2.572 7 H51 MYR 1 1H5 MYR 1 -0.574 -3.069 2.022 8 H52 MYR 1 2H5 MYR 1 0.797 -4.056 1.490 9 H61 MYR 1 1H6 MYR 1 1.800 -3.705 3.828 10 H62 MYR 1 2H6 MYR 1 0.304 -2.904 4.295 11 H71 MYR 1 1H7 MYR 1 -0.992 -5.004 3.790 12 H72 MYR 1 2H7 MYR 1 0.488 -5.778 3.234 13 H81 MYR 1 1H8 MYR 1 0.389 -6.613 5.416 14 H82 MYR 1 2H8 MYR 1 1.444 -5.236 5.631 15 H91 MYR 1 1H9 MYR 1 -0.954 -3.998 6.120 16 H92 MYR 1 2H9 MYR 1 0.057 -4.716 7.364 17 H101 MYR 1 1H10 MYR 1 -1.249 -6.807 7.326 18 H102 MYR 1 2H10 MYR 1 -2.197 -6.243 5.946 19 H111 MYR 1 1H11 MYR 1 -2.128 -4.784 8.642 20 H112 MYR 1 2H11 MYR 1 -3.176 -4.421 7.272 21 H121 MYR 1 1H12 MYR 1 -4.395 -6.548 7.547 22 H122 MYR 1 2H12 MYR 1 -3.246 -7.094 8.763 23 H131 MYR 1 1H13 MYR 1 -5.128 -6.366 10.022 24 H132 MYR 1 2H13 MYR 1 -3.951 -5.082 10.221 25 H141 MYR 1 1H14 MYR 1 -6.233 -4.158 9.776 26 H142 MYR 1 2H14 MYR 1 -5.144 -3.721 8.457 27 H143 MYR 1 3H14 MYR 1 -6.310 -5.037 8.245 28 H GLY 2 H GLY 2 2.034 0.879 2.444 29 HA2 GLY 2 1HA GLY 2 -0.416 1.500 3.605 30 HA3 GLY 2 2HA GLY 2 1.142 2.103 4.148 31 H GLN 3 H GLN 3 1.681 3.655 1.687 32 HA GLN 3 HA GLN 3 0.366 6.088 2.484 33 HB2 GLN 3 1HB GLN 3 1.772 5.304 -0.097 34 HB3 GLN 3 2HB GLN 3 1.226 6.947 0.273 35 HG2 GLN 3 1HG GLN 3 2.728 7.065 2.193 36 HG3 GLN 3 2HG GLN 3 3.216 5.382 1.954 37 HE21 GLN 3 2HE2 GLN 3 4.535 4.815 0.204 38 HE22 GLN 3 1HE2 GLN 3 5.451 6.029 -0.665 39 H GLU 4 H GLU 4 -0.343 3.609 0.032 40 HA GLU 4 HA GLU 4 -2.553 5.055 -1.151 41 HB2 GLU 4 1HB GLU 4 -1.134 3.197 -2.160 42 HB3 GLU 4 2HB GLU 4 -2.044 2.070 -1.143 43 HG2 GLU 4 1HG GLU 4 -3.134 1.973 -3.114 44 HG3 GLU 4 2HG GLU 4 -4.124 3.119 -2.212 45 H LEU 5 H LEU 5 -2.216 2.497 1.331 46 HA LEU 5 HA LEU 5 -5.014 2.124 1.754 47 HB2 LEU 5 1HB LEU 5 -2.595 1.704 3.484 48 HB3 LEU 5 2HB LEU 5 -4.181 1.635 4.207 49 HG LEU 5 HG LEU 5 -3.485 -0.589 3.812 50 HD11 LEU 5 1HD1 LEU 5 -5.142 -1.496 2.255 51 HD12 LEU 5 2HD1 LEU 5 -5.508 0.161 1.738 52 HD13 LEU 5 3HD1 LEU 5 -5.803 -0.337 3.405 53 HD21 LEU 5 3HD2 LEU 5 -1.783 -0.189 2.177 54 HD22 LEU 5 1HD2 LEU 5 -3.026 0.103 0.938 55 HD23 LEU 5 2HD2 LEU 5 -2.870 -1.501 1.693 56 H SER 6 H SER 6 -2.767 4.507 3.296 57 HA SER 6 HA SER 6 -4.872 5.732 4.858 58 HB2 SER 6 1HB SER 6 -3.298 7.611 5.109 59 HB3 SER 6 2HB SER 6 -2.535 6.053 5.443 60 HG SER 6 HG SER 6 -2.265 6.706 2.822 61 H GLN 7 H GLN 7 -4.318 5.763 1.495 62 HA GLN 7 HA GLN 7 -5.585 8.418 1.088 63 HB2 GLN 7 1HB GLN 7 -3.549 7.374 -0.162 64 HB3 GLN 7 2HB GLN 7 -4.744 6.424 -1.034 65 HG2 GLN 7 1HG GLN 7 -5.523 8.250 -2.192 66 HG3 GLN 7 2HG GLN 7 -5.043 9.395 -0.921 67 HE21 GLN 7 2HE2 GLN 7 -3.594 7.040 -3.236 68 HE22 GLN 7 1HE2 GLN 7 -2.173 8.007 -3.544 69 H HIS 8 H HIS 8 -6.269 5.029 1.218 70 HA HIS 8 HA HIS 8 -8.712 5.109 -0.382 71 HB2 HIS 8 1HB HIS 8 -7.047 3.150 0.118 72 HB3 HIS 8 2HB HIS 8 -7.942 2.942 1.600 73 HD1 HIS 8 HD1 HIS 8 -8.305 2.735 -2.192 74 HD2 HIS 8 HD2 HIS 8 -10.423 1.651 1.264 75 HE1 HIS 8 HE1 HIS 8 -10.219 1.218 -2.935 76 H GLU 9 H GLU 9 -9.861 6.841 0.689 77 HA GLU 9 HA GLU 9 -10.175 7.120 3.414 78 HB2 GLU 9 1HB GLU 9 -12.063 8.544 2.948 79 HB3 GLU 9 2HB GLU 9 -10.758 8.795 1.782 80 HG2 GLU 9 1HG GLU 9 -11.990 7.353 0.154 81 HG3 GLU 9 2HG GLU 9 -13.334 7.265 1.305 82 H ARG 10 H ARG 10 -12.108 4.862 1.443 83 HA ARG 10 HA ARG 10 -14.117 4.413 3.457 84 HB2 ARG 10 1HB ARG 10 -14.272 3.723 1.054 85 HB3 ARG 10 2HB ARG 10 -13.076 2.459 1.366 86 HG2 ARG 10 1HG ARG 10 -14.591 1.352 2.932 87 HG3 ARG 10 2HG ARG 10 -15.768 2.669 2.766 88 HD2 ARG 10 1HD ARG 10 -16.029 2.138 0.365 89 HD3 ARG 10 2HD ARG 10 -14.831 0.843 0.522 90 HE ARG 10 HE ARG 10 -16.394 -0.518 1.568 91 HH11 ARG 10 1HH1 ARG 10 -17.800 2.716 1.238 92 HH12 ARG 10 2HH1 ARG 10 -19.399 2.154 1.635 93 HH21 ARG 10 1HH2 ARG 10 -18.461 -1.146 2.064 94 HH22 ARG 10 2HH2 ARG 10 -19.761 0.013 2.103 95 H TYR 11 H TYR 11 -10.905 3.045 2.928 96 HA TYR 11 HA TYR 11 -11.172 0.976 4.972 97 HB2 TYR 11 1HB TYR 11 -9.654 0.668 3.108 98 HB3 TYR 11 2HB TYR 11 -8.833 2.183 3.462 99 HD1 TYR 11 HD1 TYR 11 -9.524 -1.180 4.995 100 HD2 TYR 11 HD2 TYR 11 -6.869 2.194 4.716 101 HE1 TYR 11 HE1 TYR 11 -7.815 -2.396 6.338 102 HE2 TYR 11 HE2 TYR 11 -5.154 0.944 6.032 103 HH TYR 11 HH TYR 11 -4.633 -0.973 7.111 104 H VAL 12 H VAL 12 -9.676 4.197 4.624 105 HA VAL 12 HA VAL 12 -8.600 4.471 7.228 106 HB VAL 12 HB VAL 12 -9.832 6.548 5.367 107 HG11 VAL 12 1HG1 VAL 12 -8.136 7.022 7.840 108 HG12 VAL 12 2HG1 VAL 12 -8.586 8.258 6.650 109 HG13 VAL 12 3HG1 VAL 12 -9.839 7.477 7.635 110 HG21 VAL 12 3HG2 VAL 12 -7.510 7.064 4.791 111 HG22 VAL 12 1HG2 VAL 12 -6.934 5.828 5.933 112 HG23 VAL 12 2HG2 VAL 12 -7.844 5.352 4.487 113 H GLU 13 H GLU 13 -11.962 5.051 6.078 114 HA GLU 13 HA GLU 13 -12.985 6.249 8.390 115 HB2 GLU 13 1HB GLU 13 -14.140 6.018 6.208 116 HB3 GLU 13 2HB GLU 13 -14.311 4.288 6.495 117 HG2 GLU 13 1HG GLU 13 -16.279 4.728 7.372 118 HG3 GLU 13 2HG GLU 13 -15.420 5.414 8.757 119 H GLN 14 H GLN 14 -12.729 2.736 7.622 120 HA GLN 14 HA GLN 14 -14.000 2.009 10.117 121 HB2 GLN 14 1HB GLN 14 -14.162 0.070 9.030 122 HB3 GLN 14 2HB GLN 14 -13.274 0.780 7.691 123 HG2 GLN 14 1HG GLN 14 -12.260 -1.305 8.247 124 HG3 GLN 14 2HG GLN 14 -11.151 -0.005 8.692 125 HE21 GLN 14 2HE2 GLN 14 -14.003 -1.462 10.308 126 HE22 GLN 14 1HE2 GLN 14 -13.154 -1.869 11.776 127 H LEU 15 H LEU 15 -10.677 2.447 8.946 128 HA LEU 15 HA LEU 15 -9.363 1.413 11.231 129 HB2 LEU 15 1HB LEU 15 -8.629 2.668 8.794 130 HB3 LEU 15 2HB LEU 15 -7.833 3.521 10.106 131 HG LEU 15 HG LEU 15 -6.890 1.396 10.935 132 HD11 LEU 15 1HD1 LEU 15 -6.935 -0.585 9.391 133 HD12 LEU 15 2HD1 LEU 15 -8.202 0.234 8.447 134 HD13 LEU 15 3HD1 LEU 15 -8.500 -0.229 10.142 135 HD21 LEU 15 3HD2 LEU 15 -5.262 1.126 9.081 136 HD22 LEU 15 1HD2 LEU 15 -5.602 2.833 9.437 137 HD23 LEU 15 2HD2 LEU 15 -6.342 2.061 8.019 138 H LYS 16 H LYS 16 -10.981 4.480 10.809 139 HA LYS 16 HA LYS 16 -9.717 6.055 12.803 140 HB2 LYS 16 1HB LYS 16 -12.684 5.721 12.197 141 HB3 LYS 16 2HB LYS 16 -12.031 6.971 13.253 142 HG2 LYS 16 1HG LYS 16 -10.843 8.006 11.399 143 HG3 LYS 16 2HG LYS 16 -11.328 6.694 10.319 144 HD2 LYS 16 1HD LYS 16 -13.713 7.287 10.646 145 HD3 LYS 16 2HD LYS 16 -13.217 8.648 11.674 146 HE2 LYS 16 1HE LYS 16 -11.984 9.644 9.774 147 HE3 LYS 16 2HE LYS 16 -12.423 8.264 8.752 148 HZ1 LYS 16 3HZ LYS 16 -14.386 10.132 9.958 149 HZ2 LYS 16 1HZ LYS 16 -14.735 8.886 8.931 150 HZ3 LYS 16 2HZ LYS 16 -13.875 10.181 8.390 151 H GLN 17 H GLN 17 -11.917 3.268 13.104 152 HA GLN 17 HA GLN 17 -11.963 3.513 16.034 153 HB2 GLN 17 1HB GLN 17 -12.912 1.278 14.202 154 HB3 GLN 17 2HB GLN 17 -13.178 1.370 15.946 155 HG2 GLN 17 1HG GLN 17 -14.464 3.483 15.602 156 HG3 GLN 17 2HG GLN 17 -14.269 3.283 13.853 157 HE21 GLN 17 2HE2 GLN 17 -16.656 3.337 13.917 158 HE22 GLN 17 1HE2 GLN 17 -17.506 1.842 14.223 159 H ALA 18 H ALA 18 -10.464 1.322 13.582 160 HA ALA 18 HA ALA 18 -9.343 -0.463 15.442 161 HB1 ALA 18 3HB ALA 18 -9.556 -0.914 13.044 162 HB2 ALA 18 1HB ALA 18 -8.273 0.272 12.704 163 HB3 ALA 18 2HB ALA 18 -7.901 -1.202 13.624 164 H LEU 19 H LEU 19 -7.832 2.539 14.119 165 HA LEU 19 HA LEU 19 -5.278 2.056 15.377 166 HB2 LEU 19 1HB LEU 19 -6.639 4.334 14.054 167 HB3 LEU 19 2HB LEU 19 -5.545 4.805 15.349 168 HG LEU 19 HG LEU 19 -3.947 3.056 13.992 169 HD11 LEU 19 1HD1 LEU 19 -4.098 3.729 11.568 170 HD12 LEU 19 2HD1 LEU 19 -5.696 4.431 11.926 171 HD13 LEU 19 3HD1 LEU 19 -5.430 2.687 12.134 172 HD21 LEU 19 3HD2 LEU 19 -4.269 6.020 13.423 173 HD22 LEU 19 1HD2 LEU 19 -2.827 5.033 13.065 174 HD23 LEU 19 2HD2 LEU 19 -3.330 5.296 14.749 175 H LYS 20 H LYS 20 -8.315 3.557 16.460 176 HA LYS 20 HA LYS 20 -7.213 4.574 18.930 177 HB2 LYS 20 1HB LYS 20 -9.284 5.426 17.777 178 HB3 LYS 20 2HB LYS 20 -10.113 3.945 18.271 179 HG2 LYS 20 1HG LYS 20 -9.656 4.527 20.658 180 HG3 LYS 20 2HG LYS 20 -8.929 6.051 20.118 181 HD2 LYS 20 1HD LYS 20 -11.083 6.698 19.087 182 HD3 LYS 20 2HD LYS 20 -11.796 5.163 19.634 183 HE2 LYS 20 1HE LYS 20 -11.268 5.786 21.992 184 HE3 LYS 20 2HE LYS 20 -10.647 7.347 21.422 185 HZ1 LYS 20 3HZ LYS 20 -13.436 6.388 21.102 186 HZ2 LYS 20 1HZ LYS 20 -12.864 7.840 20.568 187 HZ3 LYS 20 2HZ LYS 20 -12.931 7.525 22.185 188 H THR 21 H THR 21 -8.935 1.522 18.087 189 HA THR 21 HA THR 21 -9.318 0.752 20.831 190 HB THR 21 HB THR 21 -9.641 -1.577 19.859 191 HG1 THR 21 HG1 THR 21 -9.682 -1.677 17.585 192 HG21 THR 21 1HG2 THR 21 -11.544 -0.046 20.123 193 HG22 THR 21 2HG2 THR 21 -11.705 -1.003 18.635 194 HG23 THR 21 3HG2 THR 21 -11.187 0.692 18.545 195 H ARG 22 H ARG 22 -6.458 0.686 18.864 196 HA ARG 22 HA ARG 22 -5.171 -1.476 20.321 197 HB2 ARG 22 1HB ARG 22 -4.546 0.288 18.146 198 HB3 ARG 22 2HB ARG 22 -3.283 0.454 19.353 199 HG2 ARG 22 1HG ARG 22 -4.153 -2.141 18.030 200 HG3 ARG 22 2HG ARG 22 -2.689 -1.224 17.669 201 HD2 ARG 22 1HD ARG 22 -3.338 -2.749 20.217 202 HD3 ARG 22 2HD ARG 22 -2.053 -3.088 19.049 203 HE ARG 22 HE ARG 22 -1.686 -0.477 20.113 204 HH11 ARG 22 1HH1 ARG 22 -1.416 -3.848 21.179 205 HH12 ARG 22 2HH1 ARG 22 -0.262 -3.432 22.418 206 HH21 ARG 22 1HH2 ARG 22 -0.219 -0.059 21.719 207 HH22 ARG 22 2HH2 ARG 22 0.397 -1.347 22.715 208 H GLY 23 H GLY 23 -6.010 1.784 21.103 209 HA2 GLY 23 1HA GLY 23 -5.730 2.887 23.101 210 HA3 GLY 23 2HA GLY 23 -4.977 1.423 23.745 211 H VAL 24 H VAL 24 -3.607 2.978 20.899 212 HA VAL 24 HA VAL 24 -1.366 3.893 22.653 213 HB VAL 24 HB VAL 24 -0.973 1.659 21.546 214 HG11 VAL 24 1HG1 VAL 24 -0.826 3.262 18.971 215 HG12 VAL 24 2HG1 VAL 24 -0.504 1.529 19.174 216 HG13 VAL 24 3HG1 VAL 24 -2.141 2.169 19.407 217 HG21 VAL 24 3HG2 VAL 24 1.323 2.128 20.861 218 HG22 VAL 24 1HG2 VAL 24 0.956 3.857 20.702 219 HG23 VAL 24 2HG2 VAL 24 0.899 3.076 22.301 220 H LYS 25 H LYS 25 -0.141 5.646 21.996 221 HA LYS 25 HA LYS 25 -1.598 7.588 20.355 222 HB2 LYS 25 1HB LYS 25 -0.431 8.149 22.512 223 HB3 LYS 25 2HB LYS 25 1.108 7.759 21.744 224 HG2 LYS 25 1HG LYS 25 0.644 9.598 20.063 225 HG3 LYS 25 2HG LYS 25 -0.755 10.062 21.055 226 HD2 LYS 25 1HD LYS 25 0.738 10.406 22.993 227 HD3 LYS 25 2HD LYS 25 2.127 9.868 22.026 228 HE2 LYS 25 1HE LYS 25 1.741 11.765 20.457 229 HE3 LYS 25 2HE LYS 25 0.427 12.338 21.510 230 HZ1 LYS 25 3HZ LYS 25 3.269 12.032 22.322 231 HZ2 LYS 25 1HZ LYS 25 2.053 12.572 23.297 232 HZ3 LYS 25 2HZ LYS 25 2.522 13.465 21.992 233 H VAL 26 H VAL 26 -1.483 6.501 18.303 234 HA VAL 26 HA VAL 26 1.099 7.039 16.884 235 HB VAL 26 HB VAL 26 -0.624 4.502 16.662 236 HG11 VAL 26 1HG1 VAL 26 0.958 3.760 14.932 237 HG12 VAL 26 2HG1 VAL 26 0.100 5.224 14.431 238 HG13 VAL 26 3HG1 VAL 26 1.783 5.331 15.001 239 HG21 VAL 26 3HG2 VAL 26 1.018 4.485 18.538 240 HG22 VAL 26 1HG2 VAL 26 1.452 3.311 17.284 241 HG23 VAL 26 2HG2 VAL 26 2.323 4.860 17.398 242 H LYS 27 H LYS 27 0.737 8.156 14.980 243 HA LYS 27 HA LYS 27 -2.078 8.933 14.416 244 HB2 LYS 27 1HB LYS 27 0.160 10.370 14.425 245 HB3 LYS 27 2HB LYS 27 0.328 9.741 12.786 246 HG2 LYS 27 1HG LYS 27 -1.981 10.698 12.306 247 HG3 LYS 27 2HG LYS 27 -1.885 11.502 13.881 248 HD2 LYS 27 1HD LYS 27 0.082 11.832 11.567 249 HD3 LYS 27 2HD LYS 27 -1.173 12.994 12.016 250 HE2 LYS 27 1HE LYS 27 1.219 12.177 13.738 251 HE3 LYS 27 2HE LYS 27 1.060 13.687 12.830 252 HZ1 LYS 27 3HZ LYS 27 0.502 13.999 15.150 253 HZ2 LYS 27 1HZ LYS 27 -0.684 12.855 15.077 254 HZ3 LYS 27 2HZ LYS 27 -0.839 14.260 14.225 255 H PHE 28 H PHE 28 -2.856 8.795 12.108 256 HA PHE 28 HA PHE 28 -2.543 6.220 10.922 257 HB2 PHE 28 1HB PHE 28 -3.535 8.927 9.988 258 HB3 PHE 28 2HB PHE 28 -3.274 7.653 8.794 259 HD1 PHE 28 HD1 PHE 28 -5.174 8.428 11.935 260 HD2 PHE 28 HD2 PHE 28 -4.824 5.972 8.420 261 HE1 PHE 28 HE1 PHE 28 -7.432 7.475 12.378 262 HE2 PHE 28 HE2 PHE 28 -7.068 5.037 8.841 263 HZ PHE 28 HZ PHE 28 -8.387 5.789 10.812 264 H ALA 29 H ALA 29 -0.928 9.335 10.230 265 HA ALA 29 HA ALA 29 0.481 8.489 7.930 266 HB1 ALA 29 3HB ALA 29 1.385 10.466 10.077 267 HB2 ALA 29 1HB ALA 29 1.970 10.380 8.401 268 HB3 ALA 29 2HB ALA 29 0.287 10.861 8.722 269 H ASP 30 H ASP 30 1.208 8.227 11.385 270 HA ASP 30 HA ASP 30 3.904 7.351 11.056 271 HB2 ASP 30 1HB ASP 30 2.048 6.777 13.391 272 HB3 ASP 30 2HB ASP 30 3.811 6.820 13.429 273 H LEU 31 H LEU 31 0.763 5.710 11.668 274 HA LEU 31 HA LEU 31 1.927 3.132 11.853 275 HB2 LEU 31 1HB LEU 31 -0.291 3.644 12.777 276 HB3 LEU 31 2HB LEU 31 -0.923 3.879 11.149 277 HG LEU 31 HG LEU 31 -0.534 1.522 10.613 278 HD11 LEU 31 1HD1 LEU 31 0.601 1.358 13.420 279 HD12 LEU 31 2HD1 LEU 31 1.410 0.968 11.880 280 HD13 LEU 31 3HD1 LEU 31 0.097 -0.059 12.472 281 HD21 LEU 31 3HD2 LEU 31 -1.998 1.903 13.236 282 HD22 LEU 31 1HD2 LEU 31 -2.142 0.489 12.166 283 HD23 LEU 31 2HD2 LEU 31 -2.663 2.079 11.593 284 H LEU 32 H LEU 32 0.076 4.622 9.182 285 HA LEU 32 HA LEU 32 0.476 2.349 7.486 286 HB2 LEU 32 1HB LEU 32 -0.381 5.186 6.963 287 HB3 LEU 32 2HB LEU 32 -0.071 4.082 5.644 288 HG LEU 32 HG LEU 32 -2.408 4.089 5.999 289 HD11 LEU 32 1HD1 LEU 32 -1.382 1.841 5.608 290 HD12 LEU 32 2HD1 LEU 32 -2.963 1.811 6.408 291 HD13 LEU 32 3HD1 LEU 32 -1.487 1.548 7.358 292 HD21 LEU 32 3HD2 LEU 32 -1.907 3.394 8.899 293 HD22 LEU 32 1HD2 LEU 32 -3.489 3.588 8.089 294 HD23 LEU 32 2HD2 LEU 32 -2.408 4.981 8.260 295 H LYS 33 H LYS 33 2.633 4.975 8.232 296 HA LYS 33 HA LYS 33 4.290 4.739 5.880 297 HB2 LYS 33 1HB LYS 33 4.906 6.523 7.270 298 HB3 LYS 33 2HB LYS 33 4.821 5.549 8.733 299 HG2 LYS 33 1HG LYS 33 7.153 6.138 8.239 300 HG3 LYS 33 2HG LYS 33 6.915 4.394 8.150 301 HD2 LYS 33 1HD LYS 33 6.519 5.081 5.513 302 HD3 LYS 33 2HD LYS 33 7.684 6.321 6.003 303 HE2 LYS 33 1HE LYS 33 9.342 4.714 6.538 304 HE3 LYS 33 2HE LYS 33 8.149 3.419 6.747 305 HZ1 LYS 33 3HZ LYS 33 8.890 4.608 4.134 306 HZ2 LYS 33 1HZ LYS 33 7.802 3.388 4.364 307 HZ3 LYS 33 2HZ LYS 33 9.398 3.145 4.696 308 H PHE 34 H PHE 34 4.120 2.805 8.906 309 HA PHE 34 HA PHE 34 6.310 1.112 8.027 310 HB2 PHE 34 1HB PHE 34 4.328 0.960 10.282 311 HB3 PHE 34 2HB PHE 34 5.433 -0.371 9.921 312 HD1 PHE 34 HD1 PHE 34 7.835 -0.178 10.267 313 HD2 PHE 34 HD2 PHE 34 5.212 3.121 11.088 314 HE1 PHE 34 HE1 PHE 34 9.680 0.991 11.464 315 HE2 PHE 34 HE2 PHE 34 7.041 4.303 12.275 316 HZ PHE 34 HZ PHE 34 9.283 3.243 12.466 317 H PHE 35 H PHE 35 2.815 1.060 7.514 318 HA PHE 35 HA PHE 35 2.682 -1.679 6.576 319 HB2 PHE 35 1HB PHE 35 1.082 0.826 5.972 320 HB3 PHE 35 2HB PHE 35 0.820 -0.652 5.061 321 HD1 PHE 35 HD1 PHE 35 1.421 -0.189 8.781 322 HD2 PHE 35 HD2 PHE 35 -1.270 -1.420 5.649 323 HE1 PHE 35 HE1 PHE 35 -0.190 -1.004 10.476 324 HE2 PHE 35 HE2 PHE 35 -2.888 -2.216 7.359 325 HZ PHE 35 HZ PHE 35 -2.341 -2.021 9.781 326 H ASP 36 H ASP 36 3.580 1.451 5.120 327 HA ASP 36 HA ASP 36 3.820 0.468 2.426 328 HB2 ASP 36 1HB ASP 36 3.729 2.908 3.503 329 HB3 ASP 36 2HB ASP 36 5.490 2.756 3.427 330 H PHE 37 H PHE 37 6.028 0.634 5.171 331 HA PHE 37 HA PHE 37 8.460 0.098 3.757 332 HB2 PHE 37 1HB PHE 37 8.327 0.994 6.059 333 HB3 PHE 37 2HB PHE 37 7.638 -0.529 6.622 334 HD1 PHE 37 HD1 PHE 37 10.725 0.906 5.033 335 HD2 PHE 37 HD2 PHE 37 9.012 -2.292 7.351 336 HE1 PHE 37 HE1 PHE 37 13.011 0.019 5.491 337 HE2 PHE 37 HE2 PHE 37 11.293 -3.183 7.814 338 HZ PHE 37 HZ PHE 37 13.298 -2.025 6.889 339 H VAL 38 H VAL 38 5.980 -2.131 5.130 340 HA VAL 38 HA VAL 38 7.649 -4.440 4.812 341 HB VAL 38 HB VAL 38 5.935 -5.672 5.593 342 HG11 VAL 38 1HG1 VAL 38 5.837 -3.585 6.928 343 HG12 VAL 38 2HG1 VAL 38 4.478 -3.074 5.892 344 HG13 VAL 38 3HG1 VAL 38 4.331 -4.518 6.899 345 HG21 VAL 38 3HG2 VAL 38 3.557 -5.598 4.845 346 HG22 VAL 38 1HG2 VAL 38 3.964 -4.258 3.753 347 HG23 VAL 38 2HG2 VAL 38 4.681 -5.873 3.510 348 H LYS 39 H LYS 39 5.693 -2.619 2.545 349 HA LYS 39 HA LYS 39 5.321 -4.751 0.713 350 HB2 LYS 39 1HB LYS 39 4.158 -2.474 0.634 351 HB3 LYS 39 2HB LYS 39 5.644 -1.833 -0.084 352 HG2 LYS 39 1HG LYS 39 5.411 -3.616 -1.883 353 HG3 LYS 39 2HG LYS 39 3.825 -3.987 -1.202 354 HD2 LYS 39 1HD LYS 39 3.142 -1.622 -1.650 355 HD3 LYS 39 2HD LYS 39 4.717 -1.357 -2.429 356 HE2 LYS 39 1HE LYS 39 4.214 -3.232 -4.012 357 HE3 LYS 39 2HE LYS 39 2.623 -3.424 -3.256 358 HZ1 LYS 39 3HZ LYS 39 2.416 -2.126 -5.244 359 HZ2 LYS 39 1HZ LYS 39 3.569 -1.050 -4.759 360 HZ3 LYS 39 2HZ LYS 39 2.124 -1.126 -3.967 361 H ASP 40 H ASP 40 7.854 -2.330 1.110 362 HA ASP 40 HA ASP 40 9.342 -2.946 -1.233 363 HB2 ASP 40 1HB ASP 40 10.045 -1.652 1.425 364 HB3 ASP 40 2HB ASP 40 11.231 -1.839 0.133 365 H THR 41 H THR 41 9.613 -4.156 2.155 366 HA THR 41 HA THR 41 11.902 -5.832 1.500 367 HB THR 41 HB THR 41 10.145 -6.347 3.899 368 HG1 THR 41 HG1 THR 41 11.771 -4.057 3.438 369 HG21 THR 41 1HG2 THR 41 12.304 -6.618 5.003 370 HG22 THR 41 2HG2 THR 41 13.155 -6.072 3.542 371 HG23 THR 41 3HG2 THR 41 12.263 -7.609 3.533 372 H CYS 42 H CYS 42 8.421 -6.277 1.570 373 HA CYS 42 HA CYS 42 8.795 -9.146 0.798 374 HB2 CYS 42 1HB CYS 42 6.658 -7.909 2.569 375 HB3 CYS 42 2HB CYS 42 6.625 -9.568 1.962 376 HG CYS 42 HG CYS 42 9.007 -8.182 3.749 377 HA PRO 43 HA PRO 43 6.278 -6.855 -2.336 378 HB2 PRO 43 1HB PRO 43 7.433 -7.851 -4.599 379 HB3 PRO 43 2HB PRO 43 8.158 -6.496 -3.672 380 HG2 PRO 43 1HG PRO 43 8.826 -9.435 -3.550 381 HG3 PRO 43 2HG PRO 43 9.930 -8.037 -3.750 382 HD2 PRO 43 1HD PRO 43 9.496 -9.205 -1.334 383 HD3 PRO 43 2HD PRO 43 9.752 -7.426 -1.496 384 H TRP 44 H TRP 44 7.109 -10.185 -1.789 385 HA TRP 44 HA TRP 44 5.060 -11.344 -3.459 386 HB2 TRP 44 1HB TRP 44 5.604 -13.320 -1.804 387 HB3 TRP 44 2HB TRP 44 6.744 -12.830 -3.069 388 HD1 TRP 44 HD1 TRP 44 6.131 -11.961 0.643 389 HE1 TRP 44 HE1 TRP 44 8.358 -11.569 1.838 390 HE3 TRP 44 HE3 TRP 44 9.163 -12.523 -3.408 391 HZ2 TRP 44 HZ2 TRP 44 11.110 -11.462 1.096 392 HZ3 TRP 44 HZ3 TRP 44 11.634 -12.238 -3.112 393 HH2 TRP 44 HH2 TRP 44 12.586 -11.710 -0.867 394 H PHE 45 H PHE 45 4.977 -9.774 -0.350 395 HA PHE 45 HA PHE 45 2.777 -11.341 0.683 396 HB2 PHE 45 1HB PHE 45 4.265 -9.995 2.133 397 HB3 PHE 45 2HB PHE 45 3.591 -8.518 1.445 398 HD1 PHE 45 HD2 PHE 45 1.204 -7.901 1.880 399 HD2 PHE 45 HD1 PHE 45 3.048 -11.297 3.776 400 HE1 PHE 45 HE2 PHE 45 -0.647 -7.975 3.534 401 HE2 PHE 45 HE1 PHE 45 1.201 -11.362 5.455 402 HZ PHE 45 HZ PHE 45 -0.653 -9.691 5.330 403 HA PRO 46 HA PRO 46 -0.143 -8.143 -0.989 404 HB2 PRO 46 1HB PRO 46 0.514 -6.361 -2.933 405 HB3 PRO 46 2HB PRO 46 0.757 -5.991 -1.196 406 HG2 PRO 46 1HG PRO 46 2.737 -7.067 -3.173 407 HG3 PRO 46 2HG PRO 46 2.867 -5.630 -2.117 408 HD2 PRO 46 1HD PRO 46 3.933 -7.965 -1.366 409 HD3 PRO 46 2HD PRO 46 3.093 -6.930 -0.170 410 H GLN 47 H GLN 47 2.345 -9.548 -3.032 411 HA GLN 47 HA GLN 47 0.802 -9.858 -5.416 412 HB2 GLN 47 1HB GLN 47 3.289 -10.120 -5.148 413 HB3 GLN 47 2HB GLN 47 2.996 -11.642 -4.305 414 HG2 GLN 47 1HG GLN 47 2.011 -12.609 -6.300 415 HG3 GLN 47 2HG GLN 47 2.159 -11.061 -7.151 416 HE21 GLN 47 2HE2 GLN 47 3.584 -11.578 -8.727 417 HE22 GLN 47 1HE2 GLN 47 5.208 -12.149 -8.424 418 H GLU 48 H GLU 48 1.212 -11.889 -2.494 419 HA GLU 48 HA GLU 48 -0.557 -13.995 -3.474 420 HB2 GLU 48 1HB GLU 48 0.597 -13.257 -0.767 421 HB3 GLU 48 2HB GLU 48 -0.513 -14.613 -0.975 422 HG2 GLU 48 1HG GLU 48 1.854 -14.544 -2.797 423 HG3 GLU 48 2HG GLU 48 2.171 -14.856 -1.081 424 H GLY 49 H GLY 49 -0.881 -10.960 -1.744 425 HA2 GLY 49 1HA GLY 49 -2.734 -9.713 -1.252 426 HA3 GLY 49 2HA GLY 49 -3.658 -10.799 -2.286 427 H THR 50 H THR 50 -2.325 -12.702 0.084 428 HA THR 50 HA THR 50 -4.916 -12.711 1.549 429 HB THR 50 HB THR 50 -2.720 -14.816 1.413 430 HG1 THR 50 HG1 THR 50 -3.901 -14.420 -0.572 431 HG21 THR 50 1HG2 THR 50 -5.536 -14.843 2.601 432 HG22 THR 50 2HG2 THR 50 -3.999 -15.119 3.470 433 HG23 THR 50 3HG2 THR 50 -4.585 -16.311 2.289 434 H ILE 51 H ILE 51 -5.034 -12.307 3.679 435 HA ILE 51 HA ILE 51 -2.437 -11.611 4.992 436 HB ILE 51 HB ILE 51 -5.159 -10.300 5.277 437 HG12 ILE 51 1HG1 ILE 51 -2.523 -9.313 4.108 438 HG13 ILE 51 2HG1 ILE 51 -3.876 -9.877 3.145 439 HG21 ILE 51 1HG2 ILE 51 -4.067 -8.681 6.740 440 HG22 ILE 51 2HG2 ILE 51 -3.816 -10.305 7.414 441 HG23 ILE 51 3HG2 ILE 51 -2.490 -9.504 6.546 442 HD11 ILE 51 3HD1 ILE 51 -3.971 -7.595 3.075 443 HD12 ILE 51 1HD1 ILE 51 -5.243 -8.080 4.213 444 HD13 ILE 51 2HD1 ILE 51 -3.698 -7.429 4.821 445 H ASP 52 H ASP 52 -2.155 -13.609 5.681 446 HA ASP 52 HA ASP 52 -3.942 -14.675 7.845 447 HB2 ASP 52 1HB ASP 52 -1.584 -15.823 6.304 448 HB3 ASP 52 2HB ASP 52 -2.157 -16.537 7.781 449 H ILE 53 H ILE 53 -2.918 -14.970 9.917 450 HA ILE 53 HA ILE 53 -0.719 -13.180 10.492 451 HB ILE 53 HB ILE 53 -2.369 -13.928 12.278 452 HG12 ILE 53 1HG1 ILE 53 -0.623 -14.299 14.052 453 HG13 ILE 53 2HG1 ILE 53 0.576 -14.453 12.788 454 HG21 ILE 53 1HG2 ILE 53 -2.072 -16.085 13.395 455 HG22 ILE 53 2HG2 ILE 53 -2.428 -16.377 11.680 456 HG23 ILE 53 3HG2 ILE 53 -0.753 -16.527 12.284 457 HD11 ILE 53 3HD1 ILE 53 -1.060 -12.005 13.365 458 HD12 ILE 53 1HD1 ILE 53 0.635 -12.264 13.790 459 HD13 ILE 53 2HD1 ILE 53 0.163 -12.146 12.089 460 H LYS 54 H LYS 54 -1.088 -16.460 9.413 461 HA LYS 54 HA LYS 54 1.504 -17.478 10.067 462 HB2 LYS 54 1HB LYS 54 -0.197 -18.098 7.594 463 HB3 LYS 54 2HB LYS 54 1.013 -19.159 8.312 464 HG2 LYS 54 1HG LYS 54 -0.421 -19.665 10.177 465 HG3 LYS 54 2HG LYS 54 -1.509 -18.314 9.796 466 HD2 LYS 54 1HD LYS 54 -2.040 -19.408 7.605 467 HD3 LYS 54 2HD LYS 54 -1.124 -20.832 8.139 468 HE2 LYS 54 1HE LYS 54 -2.662 -21.178 10.000 469 HE3 LYS 54 2HE LYS 54 -3.480 -19.636 9.658 470 HZ1 LYS 54 3HZ LYS 54 -4.208 -20.527 7.543 471 HZ2 LYS 54 1HZ LYS 54 -4.714 -21.517 8.762 472 HZ3 LYS 54 2HZ LYS 54 -3.437 -21.962 7.818 473 H ARG 55 H ARG 55 0.266 -15.599 7.299 474 HA ARG 55 HA ARG 55 2.797 -15.735 5.833 475 HB2 ARG 55 1HB ARG 55 0.308 -14.015 5.521 476 HB3 ARG 55 2HB ARG 55 1.679 -14.000 4.399 477 HG2 ARG 55 1HG ARG 55 1.278 -16.257 3.727 478 HG3 ARG 55 2HG ARG 55 0.129 -16.525 5.049 479 HD2 ARG 55 1HD ARG 55 -1.347 -14.788 4.080 480 HD3 ARG 55 2HD ARG 55 -0.246 -14.655 2.701 481 HE ARG 55 HE ARG 55 -2.147 -16.821 3.304 482 HH11 ARG 55 1HH1 ARG 55 0.645 -15.865 1.369 483 HH12 ARG 55 2HH1 ARG 55 0.347 -17.057 0.128 484 HH21 ARG 55 1HH2 ARG 55 -2.506 -18.296 1.647 485 HH22 ARG 55 2HH2 ARG 55 -1.419 -18.381 0.281 486 H TRP 56 H TRP 56 1.114 -13.537 8.042 487 HA TRP 56 HA TRP 56 2.928 -11.359 7.840 488 HB2 TRP 56 1HB TRP 56 0.659 -11.417 8.953 489 HB3 TRP 56 2HB TRP 56 1.431 -12.228 10.320 490 HD1 TRP 56 HD1 TRP 56 2.196 -10.613 12.162 491 HE1 TRP 56 HE1 TRP 56 2.835 -8.157 12.379 492 HE3 TRP 56 HE3 TRP 56 1.831 -9.371 7.220 493 HZ2 TRP 56 HZ2 TRP 56 3.169 -5.940 10.623 494 HZ3 TRP 56 HZ3 TRP 56 2.369 -7.038 6.536 495 HH2 TRP 56 HH2 TRP 56 3.007 -5.333 8.241 496 H ARG 57 H ARG 57 3.154 -14.449 9.573 497 HA ARG 57 HA ARG 57 5.307 -13.818 11.326 498 HB2 ARG 57 1HB ARG 57 5.143 -16.429 9.774 499 HB3 ARG 57 2HB ARG 57 5.938 -16.139 11.312 500 HG2 ARG 57 1HG ARG 57 2.977 -16.363 10.776 501 HG3 ARG 57 2HG ARG 57 3.974 -17.434 11.737 502 HD2 ARG 57 1HD ARG 57 4.338 -15.509 13.280 503 HD3 ARG 57 2HD ARG 57 3.145 -14.593 12.376 504 HE ARG 57 HE ARG 57 1.449 -15.801 13.354 505 HH11 ARG 57 1HH1 ARG 57 4.506 -17.333 14.253 506 HH12 ARG 57 2HH1 ARG 57 3.764 -18.252 15.536 507 HH21 ARG 57 1HH2 ARG 57 0.582 -16.971 15.028 508 HH22 ARG 57 2HH2 ARG 57 1.580 -18.064 15.947 509 H ARG 58 H ARG 58 5.332 -14.858 7.909 510 HA ARG 58 HA ARG 58 8.179 -14.834 7.681 511 HB2 ARG 58 1HB ARG 58 6.031 -14.684 5.553 512 HB3 ARG 58 2HB ARG 58 7.762 -14.859 5.240 513 HG2 ARG 58 1HG ARG 58 7.658 -16.907 6.804 514 HG3 ARG 58 2HG ARG 58 5.900 -16.817 6.600 515 HD2 ARG 58 1HD ARG 58 6.840 -18.400 4.994 516 HD3 ARG 58 2HD ARG 58 6.203 -16.989 4.133 517 HE ARG 58 HE ARG 58 8.335 -16.455 3.419 518 HH11 ARG 58 1HH1 ARG 58 8.686 -18.827 6.021 519 HH12 ARG 58 2HH1 ARG 58 10.391 -19.023 5.724 520 HH21 ARG 58 1HH2 ARG 58 10.508 -16.767 3.113 521 HH22 ARG 58 2HH2 ARG 58 11.398 -17.877 4.116 522 H VAL 59 H VAL 59 5.911 -12.193 7.544 523 HA VAL 59 HA VAL 59 7.648 -10.419 6.046 524 HB VAL 59 HB VAL 59 5.487 -9.770 8.107 525 HG11 VAL 59 1HG1 VAL 59 6.986 -7.869 7.739 526 HG12 VAL 59 2HG1 VAL 59 6.782 -8.022 5.981 527 HG13 VAL 59 3HG1 VAL 59 5.401 -7.563 7.007 528 HG21 VAL 59 3HG2 VAL 59 5.402 -10.025 5.091 529 HG22 VAL 59 1HG2 VAL 59 4.580 -11.057 6.285 530 HG23 VAL 59 2HG2 VAL 59 4.087 -9.367 6.094 531 H GLY 60 H GLY 60 7.164 -11.308 9.443 532 HA2 GLY 60 1HA GLY 60 9.090 -9.416 10.458 533 HA3 GLY 60 2HA GLY 60 8.397 -10.814 11.301 534 H ASP 61 H ASP 61 9.162 -12.833 9.458 535 HA ASP 61 HA ASP 61 11.834 -13.407 10.262 536 HB2 ASP 61 1HB ASP 61 10.299 -14.451 7.841 537 HB3 ASP 61 2HB ASP 61 11.769 -15.169 8.504 538 H CYS 62 H CYS 62 10.452 -11.847 7.378 539 HA CYS 62 HA CYS 62 12.861 -11.709 5.853 540 HB2 CYS 62 1HB CYS 62 10.268 -11.141 5.369 541 HB3 CYS 62 2HB CYS 62 10.855 -9.504 5.656 542 HG CYS 62 HG CYS 62 10.749 -9.805 3.132 543 H PHE 63 H PHE 63 11.362 -9.410 8.189 544 HA PHE 63 HA PHE 63 13.379 -7.386 7.826 545 HB2 PHE 63 1HB PHE 63 11.770 -8.020 10.322 546 HB3 PHE 63 2HB PHE 63 12.668 -6.539 10.031 547 HD1 PHE 63 HD2 PHE 63 11.855 -6.106 7.082 548 HD2 PHE 63 HD1 PHE 63 9.589 -7.104 10.606 549 HE1 PHE 63 HE2 PHE 63 9.842 -5.040 6.086 550 HE2 PHE 63 HE1 PHE 63 7.577 -6.028 9.614 551 HZ PHE 63 HZ PHE 63 7.701 -4.998 7.350 552 H GLN 64 H GLN 64 13.082 -10.257 9.918 553 HA GLN 64 HA GLN 64 15.336 -9.683 11.568 554 HB2 GLN 64 1HB GLN 64 13.619 -11.428 12.061 555 HB3 GLN 64 2HB GLN 64 14.220 -12.378 10.707 556 HG2 GLN 64 1HG GLN 64 15.137 -13.339 12.687 557 HG3 GLN 64 2HG GLN 64 16.469 -12.535 11.845 558 HE21 GLN 64 2HE2 GLN 64 17.522 -12.635 13.949 559 HE22 GLN 64 1HE2 GLN 64 17.165 -11.416 15.148 560 H ASP 65 H ASP 65 15.033 -11.533 8.493 561 HA ASP 65 HA ASP 65 17.797 -12.303 8.523 562 HB2 ASP 65 1HB ASP 65 15.706 -13.195 7.223 563 HB3 ASP 65 2HB ASP 65 16.192 -12.031 5.990 564 H TYR 66 H TYR 66 16.036 -9.611 6.977 565 HA TYR 66 HA TYR 66 18.292 -8.619 5.514 566 HB2 TYR 66 1HB TYR 66 15.852 -8.050 5.182 567 HB3 TYR 66 2HB TYR 66 15.936 -7.055 6.631 568 HD1 TYR 66 HD2 TYR 66 18.736 -7.207 4.133 569 HD2 TYR 66 HD1 TYR 66 15.293 -5.004 5.482 570 HE1 TYR 66 HE2 TYR 66 19.439 -5.248 2.763 571 HE2 TYR 66 HE1 TYR 66 16.014 -3.052 4.114 572 HH TYR 66 HH TYR 66 17.536 -2.230 2.647 573 H PHE 67 H PHE 67 17.075 -8.104 8.833 574 HA PHE 67 HA PHE 67 19.060 -6.099 9.558 575 HB2 PHE 67 1HB PHE 67 16.926 -6.529 10.785 576 HB3 PHE 67 2HB PHE 67 17.552 -8.096 11.295 577 HD1 PHE 67 HD1 PHE 67 19.638 -8.160 12.796 578 HD2 PHE 67 HD2 PHE 67 17.416 -4.562 12.016 579 HE1 PHE 67 HE1 PHE 67 20.655 -7.098 14.804 580 HE2 PHE 67 HE2 PHE 67 18.399 -3.505 14.029 581 HZ PHE 67 HZ PHE 67 20.038 -4.764 15.427 582 H ASN 68 H ASN 68 18.920 -9.655 9.705 583 HA ASN 68 HA ASN 68 21.273 -10.028 11.287 584 HB2 ASN 68 1HB ASN 68 19.378 -11.649 10.821 585 HB3 ASN 68 2HB ASN 68 20.042 -11.881 9.200 586 HD21 ASN 68 2HD2 ASN 68 20.149 -14.067 9.747 587 HD22 ASN 68 1HD2 ASN 68 21.472 -14.668 10.723 588 H THR 69 H THR 69 20.724 -9.739 7.789 589 HA THR 69 HA THR 69 23.441 -10.510 7.125 590 HB THR 69 HB THR 69 21.378 -9.090 5.374 591 HG1 THR 69 HG1 THR 69 20.493 -11.005 6.188 592 HG21 THR 69 1HG2 THR 69 23.624 -9.143 4.374 593 HG22 THR 69 2HG2 THR 69 22.561 -10.305 3.550 594 HG23 THR 69 3HG2 THR 69 23.757 -10.884 4.730 595 H PHE 70 H PHE 70 21.720 -7.348 7.368 596 HA PHE 70 HA PHE 70 24.359 -6.054 6.763 597 HB2 PHE 70 1HB PHE 70 21.564 -5.053 6.202 598 HB3 PHE 70 2HB PHE 70 23.072 -4.202 5.832 599 HD1 PHE 70 HD1 PHE 70 24.683 -5.185 4.152 600 HD2 PHE 70 HD2 PHE 70 20.717 -6.723 4.738 601 HE1 PHE 70 HE1 PHE 70 24.797 -6.304 1.928 602 HE2 PHE 70 HE2 PHE 70 20.804 -7.836 2.509 603 HZ PHE 70 HZ PHE 70 22.850 -7.627 1.097 604 H GLY 71 H GLY 71 22.410 -6.518 9.415 605 HA2 GLY 71 1HA GLY 71 22.684 -5.506 11.473 606 HA3 GLY 71 2HA GLY 71 23.708 -4.278 10.729 607 HA PRO 72 HA PRO 72 19.601 -2.507 12.045 608 HB2 PRO 72 1HB PRO 72 20.521 -0.571 13.726 609 HB3 PRO 72 2HB PRO 72 20.366 -2.280 14.241 610 HG2 PRO 72 1HG PRO 72 22.798 -0.845 13.210 611 HG3 PRO 72 2HG PRO 72 22.606 -1.797 14.719 612 HD2 PRO 72 1HD PRO 72 23.660 -2.903 12.503 613 HD3 PRO 72 2HD PRO 72 22.544 -3.841 13.558 614 H GLU 73 H GLU 73 22.306 -1.355 10.298 615 HA GLU 73 HA GLU 73 21.320 1.350 9.933 616 HB2 GLU 73 1HB GLU 73 23.034 1.448 8.130 617 HB3 GLU 73 2HB GLU 73 23.676 1.012 9.716 618 HG2 GLU 73 1HG GLU 73 24.178 -1.142 9.093 619 HG3 GLU 73 2HG GLU 73 22.905 -1.201 7.865 620 H LYS 74 H LYS 74 20.320 -1.609 8.810 621 HA LYS 74 HA LYS 74 19.086 -0.340 6.397 622 HB2 LYS 74 1HB LYS 74 19.937 -3.143 7.037 623 HB3 LYS 74 2HB LYS 74 18.912 -2.765 5.632 624 HG2 LYS 74 1HG LYS 74 21.676 -1.612 6.147 625 HG3 LYS 74 2HG LYS 74 21.348 -2.999 5.115 626 HD2 LYS 74 1HD LYS 74 20.250 -1.723 3.493 627 HD3 LYS 74 2HD LYS 74 20.050 -0.333 4.575 628 HE2 LYS 74 1HE LYS 74 21.885 -0.110 2.828 629 HE3 LYS 74 2HE LYS 74 22.350 0.219 4.507 630 HZ1 LYS 74 3HZ LYS 74 23.823 -1.297 3.038 631 HZ2 LYS 74 1HZ LYS 74 22.763 -2.487 3.473 632 HZ3 LYS 74 2HZ LYS 74 23.604 -1.649 4.633 633 H VAL 75 H VAL 75 18.442 -2.394 9.253 634 HA VAL 75 HA VAL 75 15.558 -1.740 8.764 635 HB VAL 75 HB VAL 75 16.682 -4.227 10.139 636 HG11 VAL 75 1HG1 VAL 75 14.540 -3.522 11.133 637 HG12 VAL 75 2HG1 VAL 75 13.798 -3.449 9.516 638 HG13 VAL 75 3HG1 VAL 75 14.332 -5.005 10.193 639 HG21 VAL 75 3HG2 VAL 75 15.327 -3.904 7.456 640 HG22 VAL 75 1HG2 VAL 75 16.999 -4.431 7.765 641 HG23 VAL 75 2HG2 VAL 75 15.645 -5.463 8.257 642 HA PRO 76 HA PRO 76 16.412 -0.051 12.808 643 HB2 PRO 76 1HB PRO 76 14.121 1.260 13.307 644 HB3 PRO 76 2HB PRO 76 15.241 1.826 12.052 645 HG2 PRO 76 1HG PRO 76 12.737 0.238 11.751 646 HG3 PRO 76 2HG PRO 76 13.284 1.662 10.823 647 HD2 PRO 76 1HD PRO 76 13.595 -0.951 9.975 648 HD3 PRO 76 2HD PRO 76 14.683 0.394 9.487 649 H VAL 77 H VAL 77 15.778 -0.476 15.025 650 HA VAL 77 HA VAL 77 14.434 -2.960 15.439 651 HB VAL 77 HB VAL 77 14.523 -2.388 17.860 652 HG11 VAL 77 1HG1 VAL 77 16.456 -3.427 16.684 653 HG12 VAL 77 2HG1 VAL 77 17.118 -1.809 16.353 654 HG13 VAL 77 3HG1 VAL 77 16.970 -2.387 18.027 655 HG21 VAL 77 3HG2 VAL 77 15.748 0.248 16.911 656 HG22 VAL 77 1HG2 VAL 77 14.156 0.065 17.691 657 HG23 VAL 77 2HG2 VAL 77 15.636 -0.314 18.590 658 H THR 78 H THR 78 13.200 0.309 15.136 659 HA THR 78 HA THR 78 10.705 -0.239 16.485 660 HB THR 78 HB THR 78 11.400 2.071 16.151 661 HG1 THR 78 HG1 THR 78 9.009 1.237 14.937 662 HG21 THR 78 1HG2 THR 78 11.016 3.133 13.901 663 HG22 THR 78 2HG2 THR 78 11.117 1.500 13.219 664 HG23 THR 78 3HG2 THR 78 12.498 2.199 14.099 665 H ALA 79 H ALA 79 11.946 -1.085 13.322 666 HA ALA 79 HA ALA 79 9.354 -1.269 12.071 667 HB1 ALA 79 3HB ALA 79 11.393 -1.215 10.792 668 HB2 ALA 79 1HB ALA 79 11.947 -2.730 11.538 669 HB3 ALA 79 2HB ALA 79 10.524 -2.733 10.465 670 H PHE 80 H PHE 80 11.309 -3.516 14.047 671 HA PHE 80 HA PHE 80 9.505 -5.753 13.742 672 HB2 PHE 80 1HB PHE 80 11.432 -5.085 16.000 673 HB3 PHE 80 2HB PHE 80 10.677 -6.656 15.716 674 HD1 PHE 80 HD2 PHE 80 11.423 -8.103 13.879 675 HD2 PHE 80 HD1 PHE 80 13.262 -4.293 14.611 676 HE1 PHE 80 HE2 PHE 80 13.337 -8.756 12.444 677 HE2 PHE 80 HE1 PHE 80 15.187 -4.922 13.181 678 HZ PHE 80 HZ PHE 80 15.228 -7.173 12.086 679 H SER 81 H SER 81 9.705 -2.965 15.865 680 HA SER 81 HA SER 81 7.849 -3.921 17.857 681 HB2 SER 81 1HB SER 81 9.481 -2.086 18.259 682 HB3 SER 81 2HB SER 81 8.590 -1.060 17.116 683 HG SER 81 HG SER 81 8.043 -0.790 19.391 684 H TYR 82 H TYR 82 7.556 -1.822 14.965 685 HA TYR 82 HA TYR 82 4.712 -1.453 15.242 686 HB2 TYR 82 1HB TYR 82 6.784 -0.993 13.154 687 HB3 TYR 82 2HB TYR 82 5.119 -1.201 12.585 688 HD1 TYR 82 HD2 TYR 82 7.333 0.911 14.703 689 HD2 TYR 82 HD1 TYR 82 3.394 0.385 13.070 690 HE1 TYR 82 HE2 TYR 82 6.773 3.245 15.353 691 HE2 TYR 82 HE1 TYR 82 2.821 2.746 13.730 692 HH TYR 82 HH TYR 82 5.168 4.891 15.346 693 H TRP 83 H TRP 83 6.763 -3.853 13.574 694 HA TRP 83 HA TRP 83 4.684 -5.174 12.200 695 HB2 TRP 83 1HB TRP 83 7.071 -5.615 11.815 696 HB3 TRP 83 2HB TRP 83 7.254 -6.204 13.456 697 HD1 TRP 83 HD1 TRP 83 5.629 -7.300 10.143 698 HE1 TRP 83 HE1 TRP 83 5.287 -9.824 10.153 699 HE3 TRP 83 HE3 TRP 83 7.104 -8.184 14.960 700 HZ2 TRP 83 HZ2 TRP 83 5.642 -11.955 11.996 701 HZ3 TRP 83 HZ3 TRP 83 7.127 -10.541 15.788 702 HH2 TRP 83 HH2 TRP 83 6.394 -12.412 14.303 703 H ASN 84 H ASN 84 5.806 -5.411 15.542 704 HA ASN 84 HA ASN 84 4.335 -7.727 16.327 705 HB2 ASN 84 1HB ASN 84 6.074 -5.800 17.512 706 HB3 ASN 84 2HB ASN 84 4.587 -5.764 18.461 707 HD21 ASN 84 2HD2 ASN 84 6.422 -6.479 19.955 708 HD22 ASN 84 1HD2 ASN 84 6.594 -8.202 20.167 709 H LEU 85 H LEU 85 3.506 -4.281 16.152 710 HA LEU 85 HA LEU 85 1.073 -4.422 17.649 711 HB2 LEU 85 1HB LEU 85 2.347 -2.367 17.093 712 HB3 LEU 85 2HB LEU 85 1.872 -2.526 15.412 713 HG LEU 85 HG LEU 85 -0.318 -2.356 17.436 714 HD11 LEU 85 1HD1 LEU 85 -0.141 0.123 17.421 715 HD12 LEU 85 2HD1 LEU 85 1.414 -0.005 16.570 716 HD13 LEU 85 3HD1 LEU 85 1.245 -0.650 18.221 717 HD21 LEU 85 3HD2 LEU 85 0.118 -1.146 14.666 718 HD22 LEU 85 1HD2 LEU 85 -1.362 -0.987 15.639 719 HD23 LEU 85 2HD2 LEU 85 -0.867 -2.577 15.039 720 H ILE 86 H ILE 86 1.741 -4.860 14.129 721 HA ILE 86 HA ILE 86 -1.123 -5.239 13.617 722 HB ILE 86 HB ILE 86 1.291 -5.770 11.826 723 HG12 ILE 86 1HG1 ILE 86 -0.003 -3.817 10.570 724 HG13 ILE 86 2HG1 ILE 86 -0.624 -3.458 12.180 725 HG21 ILE 86 1HG2 ILE 86 -0.465 -5.855 9.998 726 HG22 ILE 86 2HG2 ILE 86 -0.522 -7.215 11.129 727 HG23 ILE 86 3HG2 ILE 86 -1.710 -5.903 11.286 728 HD11 ILE 86 3HD1 ILE 86 1.455 -2.185 11.362 729 HD12 ILE 86 1HD1 ILE 86 1.525 -2.888 12.988 730 HD13 ILE 86 2HD1 ILE 86 2.352 -3.697 11.636 731 H LYS 87 H LYS 87 1.690 -7.232 14.385 732 HA LYS 87 HA LYS 87 0.664 -9.765 13.615 733 HB2 LYS 87 1HB LYS 87 2.983 -9.457 14.269 734 HB3 LYS 87 2HB LYS 87 2.491 -8.832 15.825 735 HG2 LYS 87 1HG LYS 87 1.531 -11.138 16.318 736 HG3 LYS 87 2HG LYS 87 2.502 -11.678 14.923 737 HD2 LYS 87 1HD LYS 87 4.485 -10.665 15.938 738 HD3 LYS 87 2HD LYS 87 3.505 -10.047 17.266 739 HE2 LYS 87 1HE LYS 87 2.985 -12.363 17.950 740 HE3 LYS 87 2HE LYS 87 4.093 -12.954 16.678 741 HZ1 LYS 87 3HZ LYS 87 5.880 -11.740 17.713 742 HZ2 LYS 87 1HZ LYS 87 5.168 -12.646 18.897 743 HZ3 LYS 87 2HZ LYS 87 4.875 -11.022 18.799 744 H GLU 88 H GLU 88 0.353 -8.021 16.794 745 HA GLU 88 HA GLU 88 -1.276 -10.126 17.891 746 HB2 GLU 88 1HB GLU 88 -1.881 -8.517 19.630 747 HB3 GLU 88 2HB GLU 88 -0.141 -8.500 19.323 748 HG2 GLU 88 1HG GLU 88 -0.368 -6.457 18.013 749 HG3 GLU 88 2HG GLU 88 -2.120 -6.472 18.250 750 H LEU 89 H LEU 89 -2.003 -7.319 15.857 751 HA LEU 89 HA LEU 89 -4.814 -7.360 16.335 752 HB2 LEU 89 1HB LEU 89 -3.095 -6.196 14.175 753 HB3 LEU 89 2HB LEU 89 -4.842 -6.138 14.077 754 HG LEU 89 HG LEU 89 -3.241 -4.977 16.377 755 HD11 LEU 89 1HD1 LEU 89 -4.485 -3.572 13.978 756 HD12 LEU 89 2HD1 LEU 89 -2.746 -3.828 14.248 757 HD13 LEU 89 3HD1 LEU 89 -3.669 -2.790 15.350 758 HD21 LEU 89 3HD2 LEU 89 -6.169 -4.674 15.601 759 HD22 LEU 89 1HD2 LEU 89 -5.345 -3.734 16.861 760 HD23 LEU 89 2HD2 LEU 89 -5.528 -5.485 17.049 761 H ILE 90 H ILE 90 -2.832 -8.930 13.780 762 HA ILE 90 HA ILE 90 -5.263 -9.979 12.534 763 HB ILE 90 HB ILE 90 -2.418 -11.009 12.155 764 HG12 ILE 90 1HG1 ILE 90 -3.863 -9.102 10.304 765 HG13 ILE 90 2HG1 ILE 90 -2.796 -8.524 11.585 766 HG21 ILE 90 1HG2 ILE 90 -4.960 -11.269 10.471 767 HG22 ILE 90 2HG2 ILE 90 -3.357 -11.876 9.984 768 HG23 ILE 90 3HG2 ILE 90 -4.183 -12.575 11.388 769 HD11 ILE 90 3HD1 ILE 90 -1.948 -10.381 9.301 770 HD12 ILE 90 1HD1 ILE 90 -1.566 -8.652 9.452 771 HD13 ILE 90 2HD1 ILE 90 -0.895 -9.809 10.622 772 H ASP 91 H ASP 91 -2.769 -11.198 14.815 773 HA ASP 91 HA ASP 91 -3.605 -13.924 14.735 774 HB2 ASP 91 1HB ASP 91 -1.466 -12.928 15.732 775 HB3 ASP 91 2HB ASP 91 -2.426 -12.541 17.166 776 H LYS 92 H LYS 92 -4.748 -11.140 16.625 777 HA LYS 92 HA LYS 92 -6.858 -12.930 17.772 778 HB2 LYS 92 1HB LYS 92 -5.702 -10.322 18.798 779 HB3 LYS 92 2HB LYS 92 -7.101 -11.129 19.511 780 HG2 LYS 92 1HG LYS 92 -4.428 -12.528 19.217 781 HG3 LYS 92 2HG LYS 92 -4.835 -11.541 20.627 782 HD2 LYS 92 1HD LYS 92 -6.261 -13.083 21.483 783 HD3 LYS 92 2HD LYS 92 -6.925 -13.525 19.904 784 HE2 LYS 92 1HE LYS 92 -4.119 -14.360 20.656 785 HE3 LYS 92 2HE LYS 92 -5.522 -15.276 21.244 786 HZ1 LYS 92 3HZ LYS 92 -6.212 -15.645 18.982 787 HZ2 LYS 92 1HZ LYS 92 -4.645 -16.148 19.153 788 HZ3 LYS 92 2HZ LYS 92 -4.966 -14.733 18.384 789 H LYS 93 H LYS 93 -6.916 -11.784 15.063 790 HA LYS 93 HA LYS 93 -8.762 -9.578 15.063 791 HB2 LYS 93 1HB LYS 93 -9.129 -9.982 12.776 792 HB3 LYS 93 2HB LYS 93 -7.430 -10.328 13.087 793 HG2 LYS 93 1HG LYS 93 -7.992 -12.773 13.130 794 HG3 LYS 93 2HG LYS 93 -9.660 -12.353 12.690 795 HD2 LYS 93 1HD LYS 93 -8.836 -11.248 10.634 796 HD3 LYS 93 2HD LYS 93 -7.172 -11.663 11.082 797 HE2 LYS 93 1HE LYS 93 -7.919 -13.270 9.456 798 HE3 LYS 93 2HE LYS 93 -7.806 -14.085 11.029 799 HZ1 LYS 93 3HZ LYS 93 -10.209 -13.834 11.255 800 HZ2 LYS 93 1HZ LYS 93 -9.849 -14.659 9.873 801 HZ3 LYS 93 2HZ LYS 93 -10.308 -13.078 9.793 802 H GLU 94 H GLU 94 -9.042 -12.866 15.855 803 HA GLU 94 HA GLU 94 -11.762 -13.423 15.259 804 HB2 GLU 94 1HB GLU 94 -11.442 -15.253 16.895 805 HB3 GLU 94 2HB GLU 94 -10.114 -15.121 15.733 806 HG2 GLU 94 1HG GLU 94 -8.827 -13.810 17.500 807 HG3 GLU 94 2HG GLU 94 -10.087 -14.262 18.644 808 H VAL 95 H VAL 95 -10.324 -11.570 17.915 809 HA VAL 95 HA VAL 95 -13.077 -11.306 19.088 810 HB VAL 95 HB VAL 95 -11.919 -10.698 21.240 811 HG11 VAL 95 1HG1 VAL 95 -11.262 -13.480 20.198 812 HG12 VAL 95 2HG1 VAL 95 -11.393 -12.993 21.900 813 HG13 VAL 95 3HG1 VAL 95 -12.828 -12.964 20.854 814 HG21 VAL 95 3HG2 VAL 95 -9.697 -10.084 20.227 815 HG22 VAL 95 1HG2 VAL 95 -9.564 -11.233 21.572 816 HG23 VAL 95 2HG2 VAL 95 -9.408 -11.810 19.899 817 H ASN 96 H ASN 96 -11.168 -9.846 17.013 818 HA ASN 96 HA ASN 96 -11.838 -7.114 18.034 819 HB2 ASN 96 1HB ASN 96 -9.384 -7.652 18.146 820 HB3 ASN 96 2HB ASN 96 -9.392 -7.846 16.394 821 HD21 ASN 96 2HD2 ASN 96 -8.214 -5.871 18.438 822 HD22 ASN 96 1HD2 ASN 96 -8.583 -4.312 17.742 823 HA PRO 97 HA PRO 97 -13.830 -8.173 14.066 824 HB2 PRO 97 1HB PRO 97 -16.160 -6.772 14.365 825 HB3 PRO 97 2HB PRO 97 -15.885 -8.376 15.119 826 HG2 PRO 97 1HG PRO 97 -15.541 -5.645 16.337 827 HG3 PRO 97 2HG PRO 97 -16.464 -7.050 16.963 828 HD2 PRO 97 1HD PRO 97 -13.966 -6.538 17.822 829 HD3 PRO 97 2HD PRO 97 -14.506 -8.229 17.525 830 H GLN 98 H GLN 98 -13.094 -5.038 15.498 831 HA GLN 98 HA GLN 98 -13.712 -3.429 13.193 832 HB2 GLN 98 1HB GLN 98 -11.766 -3.138 15.511 833 HB3 GLN 98 2HB GLN 98 -11.771 -1.995 14.171 834 HG2 GLN 98 1HG GLN 98 -13.044 -1.040 15.922 835 HG3 GLN 98 2HG GLN 98 -14.160 -1.499 14.631 836 HE21 GLN 98 2HE2 GLN 98 -15.915 -1.520 16.033 837 HE22 GLN 98 1HE2 GLN 98 -16.142 -2.806 17.202 838 H VAL 99 H VAL 99 -10.642 -4.921 14.406 839 HA VAL 99 HA VAL 99 -9.377 -4.128 11.955 840 HB VAL 99 HB VAL 99 -8.255 -4.505 14.237 841 HG11 VAL 99 1HG1 VAL 99 -7.906 -7.325 13.153 842 HG12 VAL 99 2HG1 VAL 99 -7.320 -6.661 14.692 843 HG13 VAL 99 3HG1 VAL 99 -9.056 -6.896 14.436 844 HG21 VAL 99 3HG2 VAL 99 -6.909 -5.609 11.747 845 HG22 VAL 99 1HG2 VAL 99 -7.155 -3.879 12.089 846 HG23 VAL 99 2HG2 VAL 99 -6.133 -4.852 13.150 847 H MET 100 H MET 100 -11.112 -7.057 12.939 848 HA MET 100 HA MET 100 -10.158 -8.733 10.848 849 HB2 MET 100 1HB MET 100 -11.545 -9.474 12.733 850 HB3 MET 100 2HB MET 100 -12.931 -8.602 12.082 851 HG2 MET 100 1HG MET 100 -11.587 -10.617 10.326 852 HG3 MET 100 2HG MET 100 -12.572 -11.205 11.680 853 HE1 MET 100 3HE MET 100 -14.322 -10.672 7.763 854 HE2 MET 100 1HE MET 100 -12.604 -10.314 8.051 855 HE3 MET 100 2HE MET 100 -13.292 -11.872 8.575 856 H ALA 101 H ALA 101 -12.769 -6.272 10.879 857 HA ALA 101 HA ALA 101 -13.585 -6.746 8.164 858 HB1 ALA 101 3HB ALA 101 -14.960 -5.519 9.822 859 HB2 ALA 101 1HB ALA 101 -13.754 -4.210 9.855 860 HB3 ALA 101 2HB ALA 101 -14.673 -4.541 8.364 861 H ALA 102 H ALA 102 -10.916 -4.956 9.617 862 HA ALA 102 HA ALA 102 -10.322 -3.443 7.200 863 HB1 ALA 102 3HB ALA 102 -9.772 -2.597 9.472 864 HB2 ALA 102 1HB ALA 102 -8.641 -3.945 9.690 865 HB3 ALA 102 2HB ALA 102 -8.336 -2.726 8.440 866 H VAL 103 H VAL 103 -9.355 -6.517 8.704 867 HA VAL 103 HA VAL 103 -7.047 -7.014 7.067 868 HB VAL 103 HB VAL 103 -9.037 -8.949 8.374 869 HG11 VAL 103 1HG1 VAL 103 -7.211 -10.660 8.140 870 HG12 VAL 103 2HG1 VAL 103 -7.921 -10.157 6.594 871 HG13 VAL 103 3HG1 VAL 103 -6.343 -9.520 7.096 872 HG21 VAL 103 3HG2 VAL 103 -7.648 -9.004 10.251 873 HG22 VAL 103 1HG2 VAL 103 -6.211 -8.466 9.346 874 HG23 VAL 103 2HG2 VAL 103 -7.485 -7.311 9.767 875 H ALA 104 H ALA 104 -10.503 -7.906 6.751 876 HA ALA 104 HA ALA 104 -10.231 -9.221 4.246 877 HB1 ALA 104 3HB ALA 104 -12.623 -7.717 5.404 878 HB2 ALA 104 1HB ALA 104 -12.676 -8.896 4.071 879 HB3 ALA 104 2HB ALA 104 -12.214 -9.423 5.708 880 H GLN 105 H GLN 105 -11.002 -5.804 5.047 881 HA GLN 105 HA GLN 105 -11.291 -4.954 2.339 882 HB2 GLN 105 1HB GLN 105 -10.659 -3.586 4.953 883 HB3 GLN 105 2HB GLN 105 -10.500 -2.696 3.422 884 HG2 GLN 105 1HG GLN 105 -12.847 -3.300 2.862 885 HG3 GLN 105 2HG GLN 105 -13.001 -4.043 4.462 886 HE21 GLN 105 2HE2 GLN 105 -13.606 -2.802 6.109 887 HE22 GLN 105 1HE2 GLN 105 -13.679 -1.052 6.072 888 H THR 106 H THR 106 -8.343 -5.284 4.401 889 HA THR 106 HA THR 106 -6.723 -3.817 2.526 890 HB THR 106 HB THR 106 -5.777 -5.920 4.523 891 HG1 THR 106 HG1 THR 106 -6.972 -4.292 5.562 892 HG21 THR 106 1HG2 THR 106 -4.066 -5.191 2.860 893 HG22 THR 106 2HG2 THR 106 -3.692 -4.598 4.492 894 HG23 THR 106 3HG2 THR 106 -4.394 -3.496 3.289 895 H GLU 107 H GLU 107 -7.629 -7.291 2.899 896 HA GLU 107 HA GLU 107 -5.881 -8.265 0.866 897 HB2 GLU 107 1HB GLU 107 -8.666 -9.202 1.652 898 HB3 GLU 107 2HB GLU 107 -7.625 -10.010 0.488 899 HG2 GLU 107 1HG GLU 107 -5.888 -10.070 2.386 900 HG3 GLU 107 2HG GLU 107 -7.250 -9.737 3.455 901 H GLU 108 H GLU 108 -9.214 -6.914 0.606 902 HA GLU 108 HA GLU 108 -9.471 -7.358 -2.208 903 HB2 GLU 108 1HB GLU 108 -10.633 -5.181 -0.432 904 HB3 GLU 108 2HB GLU 108 -11.152 -5.497 -2.089 905 HG2 GLU 108 1HG GLU 108 -11.915 -7.734 -1.450 906 HG3 GLU 108 2HG GLU 108 -11.358 -7.464 0.208 907 H ILE 109 H ILE 109 -8.126 -4.673 -0.321 908 HA ILE 109 HA ILE 109 -7.709 -2.918 -2.563 909 HB ILE 109 HB ILE 109 -6.585 -3.066 0.259 910 HG12 ILE 109 1HG1 ILE 109 -8.352 -0.954 -1.021 911 HG13 ILE 109 2HG1 ILE 109 -9.022 -2.437 -0.344 912 HG21 ILE 109 1HG2 ILE 109 -5.989 -0.912 -1.830 913 HG22 ILE 109 2HG2 ILE 109 -5.604 -0.794 -0.093 914 HG23 ILE 109 3HG2 ILE 109 -4.814 -2.021 -1.080 915 HD11 ILE 109 3HD1 ILE 109 -9.260 -0.874 1.365 916 HD12 ILE 109 1HD1 ILE 109 -7.827 -1.809 1.836 917 HD13 ILE 109 2HD1 ILE 109 -7.640 -0.193 1.107 918 H LEU 110 H LEU 110 -5.631 -5.358 -0.938 919 HA LEU 110 HA LEU 110 -3.323 -4.701 -2.552 920 HB2 LEU 110 1HB LEU 110 -4.054 -7.245 -1.060 921 HB3 LEU 110 2HB LEU 110 -2.491 -6.941 -1.818 922 HG LEU 110 HG LEU 110 -3.679 -5.382 0.490 923 HD11 LEU 110 1HD1 LEU 110 -1.250 -7.176 0.412 924 HD12 LEU 110 2HD1 LEU 110 -2.845 -7.667 1.017 925 HD13 LEU 110 3HD1 LEU 110 -1.948 -6.368 1.829 926 HD21 LEU 110 3HD2 LEU 110 -1.384 -4.354 0.562 927 HD22 LEU 110 1HD2 LEU 110 -2.459 -3.798 -0.721 928 HD23 LEU 110 2HD2 LEU 110 -1.159 -4.955 -1.088 929 H LYS 111 H LYS 111 -5.981 -7.033 -2.952 930 HA LYS 111 HA LYS 111 -4.815 -8.349 -5.233 931 HB2 LYS 111 1HB LYS 111 -7.626 -8.115 -4.212 932 HB3 LYS 111 2HB LYS 111 -7.182 -9.097 -5.621 933 HG2 LYS 111 1HG LYS 111 -5.796 -10.536 -4.319 934 HG3 LYS 111 2HG LYS 111 -5.797 -9.415 -2.948 935 HD2 LYS 111 1HD LYS 111 -8.255 -9.728 -2.797 936 HD3 LYS 111 2HD LYS 111 -8.091 -11.055 -3.965 937 HE2 LYS 111 1HE LYS 111 -6.577 -12.243 -2.440 938 HE3 LYS 111 2HE LYS 111 -6.555 -10.849 -1.350 939 HZ1 LYS 111 3HZ LYS 111 -8.997 -11.232 -1.071 940 HZ2 LYS 111 1HZ LYS 111 -8.019 -12.365 -0.389 941 HZ3 LYS 111 2HZ LYS 111 -8.802 -12.693 -1.814 942 H SER 112 H SER 112 -6.663 -5.395 -4.830 943 HA SER 112 HA SER 112 -7.204 -5.115 -7.700 944 HB2 SER 112 1HB SER 112 -8.743 -4.279 -5.923 945 HB3 SER 112 2HB SER 112 -7.499 -3.116 -5.424 946 HG SER 112 HG SER 112 -9.137 -2.326 -6.928 947 H ASN 113 H ASN 113 -4.948 -3.724 -5.296 948 HA ASN 113 HA ASN 113 -3.940 -1.687 -7.048 949 HB2 ASN 113 1HB ASN 113 -2.841 -2.989 -4.535 950 HB3 ASN 113 2HB ASN 113 -1.985 -1.704 -5.396 951 HD21 ASN 113 2HD2 ASN 113 -2.596 -1.266 -2.850 952 HD22 ASN 113 1HD2 ASN 113 -3.871 -0.080 -2.730 953 H SER 114 H SER 114 -2.478 -1.743 -8.637 954 HA SER 114 HA SER 114 -1.065 -4.207 -9.246 955 HB2 SER 114 1HB SER 114 -0.945 -1.436 -10.508 956 HB3 SER 114 2HB SER 114 -0.260 -2.929 -11.190 957 HG SER 114 HG SER 114 -2.888 -3.220 -10.519 958 H GLN 115 H GLN 115 1.209 -4.212 -9.527 959 HA GLN 115 HA GLN 115 2.644 -2.782 -7.394 960 HB2 GLN 115 1HB GLN 115 3.043 -5.182 -7.840 961 HB3 GLN 115 2HB GLN 115 3.698 -4.758 -9.424 962 HG2 GLN 115 1HG GLN 115 5.512 -3.498 -8.376 963 HG3 GLN 115 2HG GLN 115 4.821 -3.790 -6.772 964 HE21 GLN 115 2HE2 GLN 115 7.135 -4.797 -8.921 965 HE22 GLN 115 1HE2 GLN 115 7.392 -6.408 -8.295 966 H THR 116 H THR 116 2.547 -0.706 -8.068 967 HA THR 116 HA THR 116 3.455 0.167 -10.673 968 HB THR 116 HB THR 116 3.412 2.456 -9.548 969 HG1 THR 116 HG1 THR 116 2.396 2.424 -7.458 970 HG21 THR 116 1HG2 THR 116 0.903 0.762 -9.163 971 HG22 THR 116 2HG2 THR 116 1.421 1.471 -10.713 972 HG23 THR 116 3HG2 THR 116 0.979 2.528 -9.356 973 H ASP 117 H ASP 117 5.307 1.392 -11.125 974 HA ASP 117 HA ASP 117 7.687 0.347 -9.741 975 HB2 ASP 117 1HB ASP 117 7.210 0.171 -12.245 976 HB3 ASP 117 2HB ASP 117 7.470 1.919 -12.337 977 H LEU 118 H LEU 118 9.630 1.822 -9.833 978 HA LEU 118 HA LEU 118 10.806 3.557 -9.120 979 HB2 LEU 118 1HB LEU 118 8.648 5.283 -10.330 980 HB3 LEU 118 2HB LEU 118 10.345 5.660 -10.090 981 HG LEU 118 HG LEU 118 9.322 3.606 -12.038 982 HD11 LEU 118 1HD1 LEU 118 8.715 5.908 -12.655 983 HD12 LEU 118 2HD1 LEU 118 9.949 5.246 -13.746 984 HD13 LEU 118 3HD1 LEU 118 10.417 6.408 -12.482 985 HD21 LEU 118 3HD2 LEU 118 11.644 3.670 -12.923 986 HD22 LEU 118 1HD2 LEU 118 11.579 3.043 -11.272 987 HD23 LEU 118 2HD2 LEU 118 12.124 4.715 -11.562 988 H GLU 119 H GLU 119 10.116 6.205 -8.451 989 HA GLU 119 HA GLU 119 9.962 5.732 -5.640 990 HB2 GLU 119 1HB GLU 119 10.607 7.979 -7.441 991 HB3 GLU 119 2HB GLU 119 9.940 8.467 -5.879 992 HG2 GLU 119 1HG GLU 119 12.184 6.472 -6.038 993 HG3 GLU 119 2HG GLU 119 12.481 8.222 -6.073 994 H HIS 120 H HIS 120 7.818 4.773 -5.609 995 HA HIS 120 HA HIS 120 5.499 6.503 -5.713 996 HB2 HIS 120 1HB HIS 120 4.309 4.700 -4.694 997 HB3 HIS 120 2HB HIS 120 5.465 3.968 -5.816 998 HD1 HIS 120 HD1 HIS 120 7.496 2.590 -4.740 999 HD2 HIS 120 HD2 HIS 120 4.707 4.109 -1.986 1000 HE1 HIS 120 HE1 HIS 120 7.965 1.457 -2.484 1001 H HIS 121 H HIS 121 8.129 6.198 -3.523 1002 HA HIS 121 HA HIS 121 6.634 7.310 -1.226 1003 HB2 HIS 121 1HB HIS 121 8.274 6.142 -0.197 1004 HB3 HIS 121 2HB HIS 121 9.217 6.000 -1.682 1005 HD1 HIS 121 HD1 HIS 121 11.124 7.701 -2.134 1006 HD2 HIS 121 HD2 HIS 121 9.054 8.331 1.475 1007 HE1 HIS 121 HE1 HIS 121 12.505 9.332 -0.758 1008 H HIS 122 H HIS 122 6.221 9.414 -1.108 1009 HA HIS 122 HA HIS 122 8.082 11.352 -2.414 1010 HB2 HIS 122 1HB HIS 122 5.343 10.638 -3.287 1011 HB3 HIS 122 2HB HIS 122 5.547 12.365 -2.975 1012 HD1 HIS 122 HD1 HIS 122 7.682 9.687 -4.822 1013 HD2 HIS 122 HD2 HIS 122 6.242 13.610 -5.293 1014 HE1 HIS 122 HE1 HIS 122 8.503 10.515 -7.076 1015 H HIS 123 H HIS 123 7.481 13.625 -1.672 1016 HA HIS 123 HA HIS 123 6.873 13.660 1.183 1017 HB2 HIS 123 1HB HIS 123 7.414 15.685 -0.984 1018 HB3 HIS 123 2HB HIS 123 6.467 16.235 0.398 1019 HD1 HIS 123 HD1 HIS 123 7.624 16.513 2.698 1020 HD2 HIS 123 HD2 HIS 123 10.162 15.139 -0.366 1021 HE1 HIS 123 HE1 HIS 123 10.028 16.721 3.552 1022 H HIS 124 H HIS 124 4.826 13.766 2.074 1023 HA HIS 124 HA HIS 124 2.533 14.240 0.193 1024 HB2 HIS 124 1HB HIS 124 2.868 12.219 2.042 1025 HB3 HIS 124 2HB HIS 124 1.927 13.400 2.966 1026 HD1 HIS 124 HD1 HIS 124 -0.273 14.375 1.342 1027 HD2 HIS 124 HD2 HIS 124 1.233 10.514 0.676 1028 HE1 HIS 124 HE1 HIS 124 -2.089 13.064 0.106 1029 H HIS 125 H HIS 125 4.577 15.581 2.429 1030 HA HIS 125 HA HIS 125 3.530 18.190 2.282 1031 HB2 HIS 125 1HB HIS 125 2.431 16.675 4.478 1032 HB3 HIS 125 2HB HIS 125 3.692 17.730 5.130 1033 HD1 HIS 125 HD1 HIS 125 0.691 18.074 2.737 1034 HD2 HIS 125 HD2 HIS 125 2.758 20.240 5.674 1035 HE1 HIS 125 HE1 HIS 125 -0.551 20.292 3.043 Start of MODEL 31 1 H21 MYR 1 1H2 MYR 1 0.674 0.051 -1.267 2 H22 MYR 1 2H2 MYR 1 2.088 -0.247 -0.269 3 H31 MYR 1 1H3 MYR 1 -0.526 -1.790 0.224 4 H32 MYR 1 2H3 MYR 1 0.555 -2.284 -1.074 5 H41 MYR 1 1H4 MYR 1 2.422 -2.594 0.525 6 H42 MYR 1 2H4 MYR 1 1.438 -2.034 1.866 7 H51 MYR 1 1H5 MYR 1 0.368 -4.383 0.244 8 H52 MYR 1 2H5 MYR 1 1.793 -4.696 1.209 9 H61 MYR 1 1H6 MYR 1 -0.654 -3.355 2.480 10 H62 MYR 1 2H6 MYR 1 -0.598 -5.101 2.278 11 H71 MYR 1 1H7 MYR 1 1.309 -5.362 3.728 12 H72 MYR 1 2H7 MYR 1 1.705 -3.662 3.658 13 H81 MYR 1 1H8 MYR 1 0.782 -3.763 5.764 14 H82 MYR 1 2H8 MYR 1 -0.615 -3.255 4.825 15 H91 MYR 1 1H9 MYR 1 0.001 -6.137 5.714 16 H92 MYR 1 2H9 MYR 1 -1.396 -5.672 4.742 17 H101 MYR 1 1H10 MYR 1 -2.213 -4.195 6.558 18 H102 MYR 1 2H10 MYR 1 -0.798 -4.563 7.547 19 H111 MYR 1 1H11 MYR 1 -2.734 -6.737 6.601 20 H112 MYR 1 2H11 MYR 1 -1.462 -6.892 7.802 21 H121 MYR 1 1H12 MYR 1 -3.406 -6.706 9.132 22 H122 MYR 1 2H12 MYR 1 -2.769 -5.067 9.169 23 H131 MYR 1 1H13 MYR 1 -4.399 -4.457 7.285 24 H132 MYR 1 2H13 MYR 1 -5.061 -6.084 7.387 25 H141 MYR 1 1H14 MYR 1 -6.442 -4.483 8.679 26 H142 MYR 1 2H14 MYR 1 -5.717 -5.656 9.786 27 H143 MYR 1 3H14 MYR 1 -5.049 -4.015 9.662 28 H GLY 2 H GLY 2 2.126 0.486 1.810 29 HA2 GLY 2 1HA GLY 2 -0.025 1.216 3.482 30 HA3 GLY 2 2HA GLY 2 1.643 1.770 3.660 31 H GLN 3 H GLN 3 1.753 3.147 1.086 32 HA GLN 3 HA GLN 3 0.675 5.673 1.939 33 HB2 GLN 3 1HB GLN 3 1.451 4.883 -0.892 34 HB3 GLN 3 2HB GLN 3 1.281 6.521 -0.260 35 HG2 GLN 3 1HG GLN 3 3.405 4.485 0.434 36 HG3 GLN 3 2HG GLN 3 3.618 5.991 -0.448 37 HE21 GLN 3 2HE2 GLN 3 4.808 4.865 2.062 38 HE22 GLN 3 1HE2 GLN 3 4.567 6.127 3.260 39 H GLU 4 H GLU 4 -0.477 3.250 -0.467 40 HA GLU 4 HA GLU 4 -2.734 4.831 -1.292 41 HB2 GLU 4 1HB GLU 4 -2.104 3.180 -2.811 42 HB3 GLU 4 2HB GLU 4 -1.873 1.965 -1.558 43 HG2 GLU 4 1HG GLU 4 -3.794 1.421 -2.921 44 HG3 GLU 4 2HG GLU 4 -4.288 1.723 -1.265 45 H LEU 5 H LEU 5 -2.205 2.378 1.238 46 HA LEU 5 HA LEU 5 -4.943 2.108 1.952 47 HB2 LEU 5 1HB LEU 5 -2.431 1.890 3.624 48 HB3 LEU 5 2HB LEU 5 -4.031 1.452 4.199 49 HG LEU 5 HG LEU 5 -2.629 0.164 1.837 50 HD11 LEU 5 1HD1 LEU 5 -1.534 -0.325 3.984 51 HD12 LEU 5 2HD1 LEU 5 -2.309 -1.760 3.286 52 HD13 LEU 5 3HD1 LEU 5 -3.089 -0.902 4.633 53 HD21 LEU 5 3HD2 LEU 5 -5.069 0.025 1.620 54 HD22 LEU 5 1HD2 LEU 5 -5.183 -0.667 3.253 55 HD23 LEU 5 2HD2 LEU 5 -4.361 -1.559 1.954 56 H SER 6 H SER 6 -2.547 4.590 2.931 57 HA SER 6 HA SER 6 -4.345 6.032 4.631 58 HB2 SER 6 1HB SER 6 -2.096 7.147 2.917 59 HB3 SER 6 2HB SER 6 -2.817 7.911 4.344 60 HG SER 6 HG SER 6 -1.247 5.551 4.206 61 H GLN 7 H GLN 7 -4.125 5.940 1.112 62 HA GLN 7 HA GLN 7 -5.671 8.444 0.808 63 HB2 GLN 7 1HB GLN 7 -4.831 6.316 -1.198 64 HB3 GLN 7 2HB GLN 7 -5.611 7.848 -1.604 65 HG2 GLN 7 1HG GLN 7 -3.667 9.065 -0.648 66 HG3 GLN 7 2HG GLN 7 -2.874 7.520 -0.343 67 HE21 GLN 7 2HE2 GLN 7 -3.815 6.240 -2.832 68 HE22 GLN 7 1HE2 GLN 7 -2.885 6.998 -4.102 69 H HIS 8 H HIS 8 -6.184 5.026 1.111 70 HA HIS 8 HA HIS 8 -8.752 5.001 -0.288 71 HB2 HIS 8 1HB HIS 8 -6.962 3.136 0.063 72 HB3 HIS 8 2HB HIS 8 -7.770 2.820 1.576 73 HD1 HIS 8 HD1 HIS 8 -10.127 1.628 1.412 74 HD2 HIS 8 HD2 HIS 8 -8.347 2.501 -2.284 75 HE1 HIS 8 HE1 HIS 8 -11.467 0.381 -0.363 76 H GLU 9 H GLU 9 -9.849 6.693 0.901 77 HA GLU 9 HA GLU 9 -9.957 6.963 3.617 78 HB2 GLU 9 1HB GLU 9 -10.924 8.468 1.833 79 HB3 GLU 9 2HB GLU 9 -12.379 7.459 1.896 80 HG2 GLU 9 1HG GLU 9 -12.565 7.957 4.342 81 HG3 GLU 9 2HG GLU 9 -11.147 9.005 4.214 82 H ARG 10 H ARG 10 -11.967 4.590 1.847 83 HA ARG 10 HA ARG 10 -13.705 4.102 4.123 84 HB2 ARG 10 1HB ARG 10 -13.254 2.916 1.465 85 HB3 ARG 10 2HB ARG 10 -13.694 1.736 2.704 86 HG2 ARG 10 1HG ARG 10 -15.729 2.447 1.672 87 HG3 ARG 10 2HG ARG 10 -15.694 3.172 3.286 88 HD2 ARG 10 1HD ARG 10 -14.597 4.784 0.997 89 HD3 ARG 10 2HD ARG 10 -16.353 4.572 1.092 90 HE ARG 10 HE ARG 10 -15.694 5.359 3.653 91 HH11 ARG 10 1HH1 ARG 10 -15.023 6.810 0.480 92 HH12 ARG 10 2HH1 ARG 10 -14.934 8.421 1.163 93 HH21 ARG 10 1HH2 ARG 10 -15.669 7.447 4.383 94 HH22 ARG 10 2HH2 ARG 10 -15.309 8.768 3.278 95 H TYR 11 H TYR 11 -10.521 2.955 3.249 96 HA TYR 11 HA TYR 11 -10.546 0.825 5.284 97 HB2 TYR 11 1HB TYR 11 -9.256 0.506 3.235 98 HB3 TYR 11 2HB TYR 11 -8.345 1.990 3.545 99 HD1 TYR 11 HD2 TYR 11 -9.110 -1.355 5.073 100 HD2 TYR 11 HD1 TYR 11 -6.339 1.917 4.760 101 HE1 TYR 11 HE2 TYR 11 -7.446 -2.609 6.427 102 HE2 TYR 11 HE1 TYR 11 -4.685 0.624 6.100 103 HH TYR 11 HH TYR 11 -4.230 -1.300 7.186 104 H VAL 12 H VAL 12 -9.299 4.113 4.735 105 HA VAL 12 HA VAL 12 -7.879 4.448 7.173 106 HB VAL 12 HB VAL 12 -9.539 6.482 5.608 107 HG11 VAL 12 1HG1 VAL 12 -7.402 7.022 7.698 108 HG12 VAL 12 2HG1 VAL 12 -8.270 8.235 6.741 109 HG13 VAL 12 3HG1 VAL 12 -9.143 7.259 7.935 110 HG21 VAL 12 3HG2 VAL 12 -6.550 5.953 5.619 111 HG22 VAL 12 1HG2 VAL 12 -7.669 5.474 4.333 112 HG23 VAL 12 2HG2 VAL 12 -7.402 7.190 4.666 113 H GLU 13 H GLU 13 -11.391 4.657 6.420 114 HA GLU 13 HA GLU 13 -12.174 5.584 8.987 115 HB2 GLU 13 1HB GLU 13 -13.551 4.101 6.782 116 HB3 GLU 13 2HB GLU 13 -14.387 4.411 8.316 117 HG2 GLU 13 1HG GLU 13 -14.084 6.774 8.098 118 HG3 GLU 13 2HG GLU 13 -13.035 6.577 6.696 119 H GLN 14 H GLN 14 -11.692 2.204 7.865 120 HA GLN 14 HA GLN 14 -12.587 1.053 10.360 121 HB2 GLN 14 1HB GLN 14 -10.555 0.057 8.320 122 HB3 GLN 14 2HB GLN 14 -11.134 -0.879 9.699 123 HG2 GLN 14 1HG GLN 14 -12.795 0.116 7.372 124 HG3 GLN 14 2HG GLN 14 -12.308 -1.555 7.702 125 HE21 GLN 14 2HE2 GLN 14 -12.866 -2.076 10.231 126 HE22 GLN 14 1HE2 GLN 14 -14.548 -1.763 10.594 127 H LEU 15 H LEU 15 -9.470 2.278 9.141 128 HA LEU 15 HA LEU 15 -8.027 1.558 11.520 129 HB2 LEU 15 1HB LEU 15 -7.454 3.521 9.313 130 HB3 LEU 15 2HB LEU 15 -6.367 3.238 10.653 131 HG LEU 15 HG LEU 15 -7.124 1.245 8.510 132 HD11 LEU 15 1HD1 LEU 15 -5.590 2.942 7.757 133 HD12 LEU 15 2HD1 LEU 15 -4.647 1.474 8.071 134 HD13 LEU 15 3HD1 LEU 15 -4.615 2.802 9.244 135 HD21 LEU 15 3HD2 LEU 15 -5.320 0.892 10.945 136 HD22 LEU 15 1HD2 LEU 15 -5.389 -0.219 9.556 137 HD23 LEU 15 2HD2 LEU 15 -6.814 -0.009 10.584 138 H LYS 16 H LYS 16 -10.097 4.315 10.799 139 HA LYS 16 HA LYS 16 -9.011 6.138 12.751 140 HB2 LYS 16 1HB LYS 16 -11.874 5.741 11.776 141 HB3 LYS 16 2HB LYS 16 -11.410 7.010 12.901 142 HG2 LYS 16 1HG LYS 16 -10.007 8.089 11.222 143 HG3 LYS 16 2HG LYS 16 -10.261 6.752 10.107 144 HD2 LYS 16 1HD LYS 16 -12.753 7.269 10.168 145 HD3 LYS 16 2HD LYS 16 -12.344 8.760 11.033 146 HE2 LYS 16 1HE LYS 16 -10.953 9.505 9.122 147 HE3 LYS 16 2HE LYS 16 -11.240 7.968 8.290 148 HZ1 LYS 16 3HZ LYS 16 -13.342 9.988 8.882 149 HZ2 LYS 16 1HZ LYS 16 -13.591 8.556 8.102 150 HZ3 LYS 16 2HZ LYS 16 -12.659 9.720 7.404 151 H GLN 17 H GLN 17 -11.186 3.344 12.904 152 HA GLN 17 HA GLN 17 -11.541 3.645 15.795 153 HB2 GLN 17 1HB GLN 17 -12.138 1.285 13.974 154 HB3 GLN 17 2HB GLN 17 -12.637 1.440 15.656 155 HG2 GLN 17 1HG GLN 17 -13.537 3.248 13.376 156 HG3 GLN 17 2HG GLN 17 -14.467 1.913 14.059 157 HE21 GLN 17 2HE2 GLN 17 -15.536 4.422 13.944 158 HE22 GLN 17 1HE2 GLN 17 -15.679 5.075 15.559 159 H ALA 18 H ALA 18 -9.662 1.465 13.600 160 HA ALA 18 HA ALA 18 -8.694 -0.161 15.686 161 HB1 ALA 18 3HB ALA 18 -8.636 -0.680 13.239 162 HB2 ALA 18 1HB ALA 18 -7.257 0.438 13.077 163 HB3 ALA 18 2HB ALA 18 -7.105 -1.015 14.084 164 H LEU 19 H LEU 19 -7.108 2.794 14.305 165 HA LEU 19 HA LEU 19 -4.700 2.522 15.873 166 HB2 LEU 19 1HB LEU 19 -6.043 4.749 14.362 167 HB3 LEU 19 2HB LEU 19 -4.928 5.209 15.637 168 HG LEU 19 HG LEU 19 -3.251 3.627 14.468 169 HD11 LEU 19 1HD1 LEU 19 -4.696 2.621 12.776 170 HD12 LEU 19 2HD1 LEU 19 -3.434 3.603 11.981 171 HD13 LEU 19 3HD1 LEU 19 -5.095 4.231 12.134 172 HD21 LEU 19 3HD2 LEU 19 -2.452 5.472 13.010 173 HD22 LEU 19 1HD2 LEU 19 -2.935 6.044 14.629 174 HD23 LEU 19 2HD2 LEU 19 -4.016 6.296 13.241 175 H LYS 20 H LYS 20 -7.864 4.022 16.425 176 HA LYS 20 HA LYS 20 -7.207 5.263 18.927 177 HB2 LYS 20 1HB LYS 20 -9.101 5.916 17.480 178 HB3 LYS 20 2HB LYS 20 -9.875 4.361 17.782 179 HG2 LYS 20 1HG LYS 20 -10.072 4.922 20.176 180 HG3 LYS 20 2HG LYS 20 -9.344 6.511 19.850 181 HD2 LYS 20 1HD LYS 20 -11.181 7.032 18.285 182 HD3 LYS 20 2HD LYS 20 -11.901 5.437 18.580 183 HE2 LYS 20 1HE LYS 20 -11.460 7.572 20.709 184 HE3 LYS 20 2HE LYS 20 -12.998 7.268 19.876 185 HZ1 LYS 20 3HZ LYS 20 -12.980 5.023 20.785 186 HZ2 LYS 20 1HZ LYS 20 -12.914 6.132 22.005 187 HZ3 LYS 20 2HZ LYS 20 -11.556 5.304 21.568 188 H THR 21 H THR 21 -8.613 2.035 18.144 189 HA THR 21 HA THR 21 -9.307 1.509 20.879 190 HB THR 21 HB THR 21 -9.456 -0.913 20.082 191 HG1 THR 21 HG1 THR 21 -7.987 -0.832 18.368 192 HG21 THR 21 1HG2 THR 21 -11.481 0.313 20.034 193 HG22 THR 21 2HG2 THR 21 -11.315 -0.328 18.385 194 HG23 THR 21 3HG2 THR 21 -10.926 1.364 18.712 195 H ARG 22 H ARG 22 -6.233 1.070 19.155 196 HA ARG 22 HA ARG 22 -5.228 -0.677 21.285 197 HB2 ARG 22 1HB ARG 22 -4.324 0.005 18.723 198 HB3 ARG 22 2HB ARG 22 -3.153 0.747 19.817 199 HG2 ARG 22 1HG ARG 22 -3.952 -2.205 19.804 200 HG3 ARG 22 2HG ARG 22 -2.439 -1.540 19.160 201 HD2 ARG 22 1HD ARG 22 -1.816 -0.755 21.428 202 HD3 ARG 22 2HD ARG 22 -3.340 -1.385 22.066 203 HE ARG 22 HE ARG 22 -1.749 -3.454 20.769 204 HH11 ARG 22 1HH1 ARG 22 -2.231 -1.698 23.808 205 HH12 ARG 22 2HH1 ARG 22 -1.532 -2.983 24.760 206 HH21 ARG 22 1HH2 ARG 22 -0.878 -5.034 22.038 207 HH22 ARG 22 2HH2 ARG 22 -0.782 -4.836 23.776 208 H GLY 23 H GLY 23 -5.872 2.660 20.993 209 HA2 GLY 23 1HA GLY 23 -5.645 4.310 22.572 210 HA3 GLY 23 2HA GLY 23 -4.968 3.106 23.676 211 H VAL 24 H VAL 24 -3.365 3.434 20.623 212 HA VAL 24 HA VAL 24 -1.130 4.719 22.094 213 HB VAL 24 HB VAL 24 -0.730 2.423 21.238 214 HG11 VAL 24 1HG1 VAL 24 -2.137 2.577 19.170 215 HG12 VAL 24 2HG1 VAL 24 -0.888 3.609 18.440 216 HG13 VAL 24 3HG1 VAL 24 -0.510 1.934 18.885 217 HG21 VAL 24 3HG2 VAL 24 0.961 4.597 19.964 218 HG22 VAL 24 1HG2 VAL 24 1.153 3.909 21.592 219 HG23 VAL 24 2HG2 VAL 24 1.447 2.900 20.161 220 H LYS 25 H LYS 25 -0.565 6.700 21.658 221 HA LYS 25 HA LYS 25 -1.987 8.117 19.533 222 HB2 LYS 25 1HB LYS 25 -0.816 10.132 20.500 223 HB3 LYS 25 2HB LYS 25 -1.931 9.279 21.567 224 HG2 LYS 25 1HG LYS 25 -0.070 8.229 22.769 225 HG3 LYS 25 2HG LYS 25 1.092 8.964 21.651 226 HD2 LYS 25 1HD LYS 25 0.248 11.226 22.351 227 HD3 LYS 25 2HD LYS 25 -0.757 10.417 23.572 228 HE2 LYS 25 1HE LYS 25 1.274 11.175 24.643 229 HE3 LYS 25 2HE LYS 25 1.331 9.403 24.536 230 HZ1 LYS 25 3HZ LYS 25 2.744 9.650 22.563 231 HZ2 LYS 25 1HZ LYS 25 3.436 10.381 23.871 232 HZ3 LYS 25 2HZ LYS 25 2.710 11.292 22.703 233 H VAL 26 H VAL 26 -1.108 7.154 17.680 234 HA VAL 26 HA VAL 26 1.545 8.341 16.949 235 HB VAL 26 HB VAL 26 1.813 6.475 15.295 236 HG11 VAL 26 1HG1 VAL 26 1.553 5.531 18.170 237 HG12 VAL 26 2HG1 VAL 26 2.526 4.764 16.896 238 HG13 VAL 26 3HG1 VAL 26 2.949 6.386 17.482 239 HG21 VAL 26 3HG2 VAL 26 -0.541 5.786 15.064 240 HG22 VAL 26 1HG2 VAL 26 0.466 4.411 15.553 241 HG23 VAL 26 2HG2 VAL 26 -0.564 5.221 16.752 242 H LYS 27 H LYS 27 1.697 8.993 14.705 243 HA LYS 27 HA LYS 27 -0.816 10.208 13.797 244 HB2 LYS 27 1HB LYS 27 1.504 11.265 13.722 245 HB3 LYS 27 2HB LYS 27 1.903 10.119 12.446 246 HG2 LYS 27 1HG LYS 27 0.351 11.111 10.930 247 HG3 LYS 27 2HG LYS 27 -0.403 12.055 12.229 248 HD2 LYS 27 1HD LYS 27 1.003 13.554 10.969 249 HD3 LYS 27 2HD LYS 27 1.770 13.289 12.541 250 HE2 LYS 27 1HE LYS 27 2.678 11.366 10.498 251 HE3 LYS 27 2HE LYS 27 2.979 13.046 10.031 252 HZ1 LYS 27 3HZ LYS 27 3.904 11.740 12.534 253 HZ2 LYS 27 1HZ LYS 27 4.156 13.335 12.153 254 HZ3 LYS 27 2HZ LYS 27 4.837 12.132 11.244 255 H PHE 28 H PHE 28 -1.898 9.611 11.852 256 HA PHE 28 HA PHE 28 -1.963 6.854 11.170 257 HB2 PHE 28 1HB PHE 28 -3.088 9.417 10.225 258 HB3 PHE 28 2HB PHE 28 -2.731 8.340 8.871 259 HD1 PHE 28 HD2 PHE 28 -4.713 8.698 12.000 260 HD2 PHE 28 HD1 PHE 28 -4.026 6.411 8.425 261 HE1 PHE 28 HE2 PHE 28 -6.853 7.477 12.371 262 HE2 PHE 28 HE1 PHE 28 -6.149 5.201 8.780 263 HZ PHE 28 HZ PHE 28 -7.575 5.739 10.742 264 H ALA 29 H ALA 29 -0.346 9.573 9.477 265 HA ALA 29 HA ALA 29 0.706 8.040 7.355 266 HB1 ALA 29 3HB ALA 29 2.303 9.876 7.089 267 HB2 ALA 29 1HB ALA 29 0.689 10.530 7.455 268 HB3 ALA 29 2HB ALA 29 1.941 10.461 8.726 269 H ASP 30 H ASP 30 1.882 8.532 10.673 270 HA ASP 30 HA ASP 30 4.476 7.368 10.186 271 HB2 ASP 30 1HB ASP 30 2.899 7.816 12.740 272 HB3 ASP 30 2HB ASP 30 4.550 7.189 12.697 273 H LEU 31 H LEU 31 1.268 6.101 11.141 274 HA LEU 31 HA LEU 31 2.391 3.520 11.792 275 HB2 LEU 31 1HB LEU 31 -0.021 4.672 12.335 276 HB3 LEU 31 2HB LEU 31 -0.454 3.519 11.041 277 HG LEU 31 HG LEU 31 1.094 2.882 13.617 278 HD11 LEU 31 1HD1 LEU 31 -1.241 3.324 14.036 279 HD12 LEU 31 2HD1 LEU 31 -0.859 1.616 14.291 280 HD13 LEU 31 3HD1 LEU 31 -1.710 2.118 12.811 281 HD21 LEU 31 3HD2 LEU 31 1.844 1.333 11.948 282 HD22 LEU 31 1HD2 LEU 31 0.183 1.076 11.372 283 HD23 LEU 31 2HD2 LEU 31 0.679 0.479 12.973 284 H LEU 32 H LEU 32 0.358 4.702 9.093 285 HA LEU 32 HA LEU 32 0.644 2.315 7.542 286 HB2 LEU 32 1HB LEU 32 0.061 5.169 6.788 287 HB3 LEU 32 2HB LEU 32 0.291 3.942 5.563 288 HG LEU 32 HG LEU 32 -1.994 4.152 5.785 289 HD11 LEU 32 1HD1 LEU 32 -2.857 2.060 6.469 290 HD12 LEU 32 2HD1 LEU 32 -1.463 1.758 7.531 291 HD13 LEU 32 3HD1 LEU 32 -1.257 1.793 5.760 292 HD21 LEU 32 3HD2 LEU 32 -1.778 3.915 8.744 293 HD22 LEU 32 1HD2 LEU 32 -3.246 4.191 7.762 294 HD23 LEU 32 2HD2 LEU 32 -1.974 5.418 7.808 295 H LYS 33 H LYS 33 2.961 4.864 8.055 296 HA LYS 33 HA LYS 33 4.671 4.446 5.812 297 HB2 LYS 33 1HB LYS 33 5.191 6.149 7.463 298 HB3 LYS 33 2HB LYS 33 5.327 4.935 8.735 299 HG2 LYS 33 1HG LYS 33 7.311 3.988 7.701 300 HG3 LYS 33 2HG LYS 33 7.185 5.145 6.359 301 HD2 LYS 33 1HD LYS 33 7.586 7.004 7.861 302 HD3 LYS 33 2HD LYS 33 7.486 5.936 9.277 303 HE2 LYS 33 1HE LYS 33 9.831 6.425 8.754 304 HE3 LYS 33 2HE LYS 33 9.478 4.702 8.516 305 HZ1 LYS 33 3HZ LYS 33 9.637 6.723 6.352 306 HZ2 LYS 33 1HZ LYS 33 9.310 5.120 6.139 307 HZ3 LYS 33 2HZ LYS 33 10.789 5.592 6.697 308 H PHE 34 H PHE 34 4.201 2.481 8.761 309 HA PHE 34 HA PHE 34 6.340 0.656 7.982 310 HB2 PHE 34 1HB PHE 34 4.298 0.642 10.199 311 HB3 PHE 34 2HB PHE 34 5.445 -0.669 9.940 312 HD1 PHE 34 HD2 PHE 34 7.873 -0.331 10.257 313 HD2 PHE 34 HD1 PHE 34 5.043 2.805 11.009 314 HE1 PHE 34 HE2 PHE 34 9.639 0.973 11.440 315 HE2 PHE 34 HE1 PHE 34 6.786 4.125 12.184 316 HZ PHE 34 HZ PHE 34 9.098 3.219 12.392 317 H PHE 35 H PHE 35 2.894 0.882 7.387 318 HA PHE 35 HA PHE 35 2.587 -1.888 6.506 319 HB2 PHE 35 1HB PHE 35 1.017 0.660 5.941 320 HB3 PHE 35 2HB PHE 35 0.634 -0.881 5.192 321 HD1 PHE 35 HD2 PHE 35 1.588 -0.158 8.811 322 HD2 PHE 35 HD1 PHE 35 -1.395 -1.582 6.057 323 HE1 PHE 35 HE2 PHE 35 0.160 -0.865 10.702 324 HE2 PHE 35 HE1 PHE 35 -2.830 -2.255 7.969 325 HZ PHE 35 HZ PHE 35 -2.054 -1.886 10.296 326 H ASP 36 H ASP 36 3.820 1.140 5.208 327 HA ASP 36 HA ASP 36 3.958 0.175 2.453 328 HB2 ASP 36 1HB ASP 36 3.947 2.632 3.539 329 HB3 ASP 36 2HB ASP 36 5.699 2.386 3.489 330 H PHE 37 H PHE 37 5.987 0.239 5.323 331 HA PHE 37 HA PHE 37 8.457 -0.387 4.034 332 HB2 PHE 37 1HB PHE 37 8.145 0.577 6.335 333 HB3 PHE 37 2HB PHE 37 7.639 -1.025 6.883 334 HD1 PHE 37 HD2 PHE 37 10.484 0.807 5.275 335 HD2 PHE 37 HD1 PHE 37 9.241 -2.638 7.532 336 HE1 PHE 37 HE2 PHE 37 12.870 0.184 5.627 337 HE2 PHE 37 HE1 PHE 37 11.620 -3.269 7.889 338 HZ PHE 37 HZ PHE 37 13.437 -1.852 6.932 339 H VAL 38 H VAL 38 5.761 -2.477 5.098 340 HA VAL 38 HA VAL 38 7.328 -4.888 4.983 341 HB VAL 38 HB VAL 38 5.462 -5.955 5.556 342 HG11 VAL 38 1HG1 VAL 38 3.502 -4.735 6.234 343 HG12 VAL 38 2HG1 VAL 38 4.985 -3.893 6.716 344 HG13 VAL 38 3HG1 VAL 38 4.052 -3.339 5.308 345 HG21 VAL 38 3HG2 VAL 38 3.937 -4.788 3.206 346 HG22 VAL 38 1HG2 VAL 38 4.820 -6.339 3.217 347 HG23 VAL 38 2HG2 VAL 38 3.399 -6.123 4.248 348 H LYS 39 H LYS 39 5.756 -2.881 2.544 349 HA LYS 39 HA LYS 39 5.937 -4.826 0.452 350 HB2 LYS 39 1HB LYS 39 4.547 -2.690 0.537 351 HB3 LYS 39 2HB LYS 39 6.006 -1.807 0.135 352 HG2 LYS 39 1HG LYS 39 5.108 -4.085 -1.641 353 HG3 LYS 39 2HG LYS 39 4.259 -2.538 -1.731 354 HD2 LYS 39 1HD LYS 39 7.259 -2.871 -2.159 355 HD3 LYS 39 2HD LYS 39 6.062 -2.793 -3.453 356 HE2 LYS 39 1HE LYS 39 5.425 -0.522 -2.777 357 HE3 LYS 39 2HE LYS 39 6.564 -0.589 -1.411 358 HZ1 LYS 39 3HZ LYS 39 7.563 0.532 -3.263 359 HZ2 LYS 39 1HZ LYS 39 7.269 -0.722 -4.286 360 HZ3 LYS 39 2HZ LYS 39 8.347 -0.904 -3.051 361 H ASP 40 H ASP 40 8.120 -2.373 1.741 362 HA ASP 40 HA ASP 40 10.077 -2.357 -0.317 363 HB2 ASP 40 1HB ASP 40 9.780 -0.763 1.662 364 HB3 ASP 40 2HB ASP 40 10.590 -1.980 2.657 365 H THR 41 H THR 41 9.575 -4.557 2.414 366 HA THR 41 HA THR 41 12.080 -6.009 1.753 367 HB THR 41 HB THR 41 10.058 -6.670 3.930 368 HG1 THR 41 HG1 THR 41 12.236 -4.844 3.932 369 HG21 THR 41 1HG2 THR 41 11.725 -8.398 3.553 370 HG22 THR 41 2HG2 THR 41 12.121 -7.534 5.053 371 HG23 THR 41 3HG2 THR 41 13.028 -7.197 3.563 372 H CYS 42 H CYS 42 8.567 -6.377 1.613 373 HA CYS 42 HA CYS 42 8.910 -9.117 0.465 374 HB2 CYS 42 1HB CYS 42 6.674 -8.028 2.206 375 HB3 CYS 42 2HB CYS 42 6.733 -9.645 1.498 376 HG CYS 42 HG CYS 42 8.887 -8.288 3.578 377 HA PRO 43 HA PRO 43 6.548 -6.621 -2.612 378 HB2 PRO 43 1HB PRO 43 7.720 -7.600 -4.869 379 HB3 PRO 43 2HB PRO 43 8.483 -6.302 -3.893 380 HG2 PRO 43 1HG PRO 43 9.016 -9.265 -3.843 381 HG3 PRO 43 2HG PRO 43 10.184 -7.914 -3.978 382 HD2 PRO 43 1HD PRO 43 9.638 -9.139 -1.607 383 HD3 PRO 43 2HD PRO 43 9.997 -7.373 -1.708 384 H TRP 44 H TRP 44 7.178 -9.922 -1.925 385 HA TRP 44 HA TRP 44 5.107 -10.999 -3.682 386 HB2 TRP 44 1HB TRP 44 5.744 -13.096 -2.258 387 HB3 TRP 44 2HB TRP 44 6.848 -12.478 -3.498 388 HD1 TRP 44 HD1 TRP 44 6.328 -12.008 0.295 389 HE1 TRP 44 HE1 TRP 44 8.580 -11.701 1.463 390 HE3 TRP 44 HE3 TRP 44 9.248 -12.088 -3.872 391 HZ2 TRP 44 HZ2 TRP 44 11.307 -11.444 0.662 392 HZ3 TRP 44 HZ3 TRP 44 11.720 -11.772 -3.618 393 HH2 TRP 44 HH2 TRP 44 12.726 -11.445 -1.357 394 H PHE 45 H PHE 45 5.106 -9.486 -0.608 395 HA PHE 45 HA PHE 45 3.093 -11.102 0.652 396 HB2 PHE 45 1HB PHE 45 4.432 -9.434 1.869 397 HB3 PHE 45 2HB PHE 45 3.631 -8.132 0.992 398 HD1 PHE 45 HD1 PHE 45 3.160 -10.834 3.497 399 HD2 PHE 45 HD2 PHE 45 1.401 -7.396 1.596 400 HE1 PHE 45 HE1 PHE 45 1.379 -10.791 5.236 401 HE2 PHE 45 HE2 PHE 45 -0.398 -7.360 3.318 402 HZ PHE 45 HZ PHE 45 -0.400 -9.046 5.156 403 HA PRO 46 HA PRO 46 -0.199 -8.412 -1.284 404 HB2 PRO 46 1HB PRO 46 0.232 -7.006 -3.583 405 HB3 PRO 46 2HB PRO 46 0.494 -6.291 -1.959 406 HG2 PRO 46 1HG PRO 46 2.504 -7.558 -3.794 407 HG3 PRO 46 2HG PRO 46 2.548 -5.942 -3.014 408 HD2 PRO 46 1HD PRO 46 3.830 -8.014 -1.913 409 HD3 PRO 46 2HD PRO 46 2.932 -6.857 -0.881 410 H GLN 47 H GLN 47 2.242 -10.072 -3.214 411 HA GLN 47 HA GLN 47 0.446 -10.903 -5.323 412 HB2 GLN 47 1HB GLN 47 3.065 -12.108 -4.363 413 HB3 GLN 47 2HB GLN 47 2.211 -12.558 -5.841 414 HG2 GLN 47 1HG GLN 47 2.451 -10.217 -6.651 415 HG3 GLN 47 2HG GLN 47 3.413 -9.846 -5.215 416 HE21 GLN 47 2HE2 GLN 47 3.697 -10.414 -8.361 417 HE22 GLN 47 1HE2 GLN 47 5.250 -11.234 -8.398 418 H GLU 48 H GLU 48 1.423 -12.270 -2.157 419 HA GLU 48 HA GLU 48 -0.008 -14.766 -2.563 420 HB2 GLU 48 1HB GLU 48 0.788 -13.282 -0.020 421 HB3 GLU 48 2HB GLU 48 0.001 -14.863 -0.044 422 HG2 GLU 48 1HG GLU 48 2.034 -15.476 -1.643 423 HG3 GLU 48 2HG GLU 48 2.804 -14.132 -0.785 424 H GLY 49 H GLY 49 -0.811 -11.505 -1.533 425 HA2 GLY 49 1HA GLY 49 -2.823 -10.450 -1.276 426 HA3 GLY 49 2HA GLY 49 -3.482 -11.696 -2.328 427 H THR 50 H THR 50 -2.141 -12.790 0.659 428 HA THR 50 HA THR 50 -4.892 -13.043 1.800 429 HB THR 50 HB THR 50 -2.684 -15.141 1.927 430 HG1 THR 50 HG1 THR 50 -3.645 -14.828 -0.205 431 HG21 THR 50 1HG2 THR 50 -4.187 -15.345 3.801 432 HG22 THR 50 2HG2 THR 50 -4.653 -16.585 2.616 433 HG23 THR 50 3HG2 THR 50 -5.611 -15.097 2.759 434 H ILE 51 H ILE 51 -5.037 -12.318 3.829 435 HA ILE 51 HA ILE 51 -2.446 -11.687 5.198 436 HB ILE 51 HB ILE 51 -5.108 -10.228 5.269 437 HG12 ILE 51 1HG1 ILE 51 -2.381 -9.421 4.176 438 HG13 ILE 51 2HG1 ILE 51 -3.715 -9.998 3.186 439 HG21 ILE 51 1HG2 ILE 51 -3.879 -10.169 7.484 440 HG22 ILE 51 2HG2 ILE 51 -2.480 -9.456 6.645 441 HG23 ILE 51 3HG2 ILE 51 -4.034 -8.583 6.716 442 HD11 ILE 51 3HD1 ILE 51 -5.068 -8.079 4.017 443 HD12 ILE 51 1HD1 ILE 51 -3.575 -7.444 4.745 444 HD13 ILE 51 2HD1 ILE 51 -3.677 -7.675 2.992 445 H ASP 52 H ASP 52 -2.113 -13.345 6.390 446 HA ASP 52 HA ASP 52 -4.016 -13.930 8.599 447 HB2 ASP 52 1HB ASP 52 -4.336 -15.734 6.917 448 HB3 ASP 52 2HB ASP 52 -2.581 -15.978 6.867 449 H ILE 53 H ILE 53 -2.748 -15.053 10.344 450 HA ILE 53 HA ILE 53 -0.360 -13.585 10.833 451 HB ILE 53 HB ILE 53 -1.957 -14.480 12.499 452 HG12 ILE 53 1HG1 ILE 53 -0.254 -15.176 14.201 453 HG13 ILE 53 2HG1 ILE 53 0.940 -15.314 12.912 454 HG21 ILE 53 1HG2 ILE 53 -1.854 -16.774 13.276 455 HG22 ILE 53 2HG2 ILE 53 -2.302 -16.717 11.561 456 HG23 ILE 53 3HG2 ILE 53 -0.643 -17.168 12.035 457 HD11 ILE 53 3HD1 ILE 53 1.067 -13.198 14.256 458 HD12 ILE 53 1HD1 ILE 53 0.896 -12.933 12.510 459 HD13 ILE 53 2HD1 ILE 53 -0.509 -12.726 13.587 460 H LYS 54 H LYS 54 -0.902 -16.736 9.324 461 HA LYS 54 HA LYS 54 1.837 -17.637 9.541 462 HB2 LYS 54 1HB LYS 54 -0.293 -18.234 7.462 463 HB3 LYS 54 2HB LYS 54 1.235 -19.115 7.615 464 HG2 LYS 54 1HG LYS 54 0.606 -20.051 9.722 465 HG3 LYS 54 2HG LYS 54 -0.713 -18.888 9.923 466 HD2 LYS 54 1HD LYS 54 -1.727 -19.915 7.797 467 HD3 LYS 54 2HD LYS 54 -0.610 -21.271 8.069 468 HE2 LYS 54 1HE LYS 54 -1.581 -21.699 10.250 469 HE3 LYS 54 2HE LYS 54 -2.486 -20.170 10.200 470 HZ1 LYS 54 3HZ LYS 54 -3.792 -21.036 8.388 471 HZ2 LYS 54 1HZ LYS 54 -3.900 -22.050 9.683 472 HZ3 LYS 54 2HZ LYS 54 -2.959 -22.462 8.391 473 H ARG 55 H ARG 55 0.140 -15.519 7.243 474 HA ARG 55 HA ARG 55 2.482 -15.307 5.481 475 HB2 ARG 55 1HB ARG 55 -0.286 -14.205 5.563 476 HB3 ARG 55 2HB ARG 55 0.945 -13.125 4.900 477 HG2 ARG 55 1HG ARG 55 0.402 -14.168 2.975 478 HG3 ARG 55 2HG ARG 55 1.620 -15.317 3.542 479 HD2 ARG 55 1HD ARG 55 -0.222 -16.691 4.549 480 HD3 ARG 55 2HD ARG 55 -1.395 -15.558 3.835 481 HE ARG 55 HE ARG 55 0.485 -16.507 1.858 482 HH11 ARG 55 1HH1 ARG 55 -2.435 -17.566 3.557 483 HH12 ARG 55 2HH1 ARG 55 -2.881 -18.646 2.263 484 HH21 ARG 55 1HH2 ARG 55 -0.124 -17.859 0.308 485 HH22 ARG 55 2HH2 ARG 55 -1.599 -18.802 0.432 486 H TRP 56 H TRP 56 0.939 -13.382 8.068 487 HA TRP 56 HA TRP 56 2.680 -11.142 7.804 488 HB2 TRP 56 1HB TRP 56 0.495 -11.307 9.073 489 HB3 TRP 56 2HB TRP 56 1.391 -12.109 10.370 490 HD1 TRP 56 HD1 TRP 56 2.221 -10.469 12.172 491 HE1 TRP 56 HE1 TRP 56 2.809 -7.999 12.368 492 HE3 TRP 56 HE3 TRP 56 1.478 -9.192 7.275 493 HZ2 TRP 56 HZ2 TRP 56 2.979 -5.761 10.614 494 HZ3 TRP 56 HZ3 TRP 56 1.901 -6.827 6.578 495 HH2 TRP 56 HH2 TRP 56 2.628 -5.127 8.254 496 H ARG 57 H ARG 57 3.041 -14.231 9.509 497 HA ARG 57 HA ARG 57 5.382 -13.552 11.006 498 HB2 ARG 57 1HB ARG 57 4.165 -16.083 9.980 499 HB3 ARG 57 2HB ARG 57 5.823 -16.116 10.609 500 HG2 ARG 57 1HG ARG 57 5.150 -15.361 12.749 501 HG3 ARG 57 2HG ARG 57 3.537 -14.897 12.179 502 HD2 ARG 57 1HD ARG 57 2.836 -17.133 11.946 503 HD3 ARG 57 2HD ARG 57 4.498 -17.757 12.040 504 HE ARG 57 HE ARG 57 2.745 -17.014 14.262 505 HH11 ARG 57 1HH1 ARG 57 6.116 -17.609 13.341 506 HH12 ARG 57 2HH1 ARG 57 6.592 -17.958 14.981 507 HH21 ARG 57 1HH2 ARG 57 3.434 -17.485 16.318 508 HH22 ARG 57 2HH2 ARG 57 5.102 -17.885 16.631 509 H ARG 58 H ARG 58 5.021 -14.796 7.664 510 HA ARG 58 HA ARG 58 7.797 -15.018 7.112 511 HB2 ARG 58 1HB ARG 58 5.472 -14.277 5.297 512 HB3 ARG 58 2HB ARG 58 7.112 -14.538 4.717 513 HG2 ARG 58 1HG ARG 58 7.079 -16.831 5.468 514 HG3 ARG 58 2HG ARG 58 5.465 -16.618 6.180 515 HD2 ARG 58 1HD ARG 58 4.463 -16.273 4.031 516 HD3 ARG 58 2HD ARG 58 6.046 -16.096 3.248 517 HE ARG 58 HE ARG 58 6.034 -18.637 4.415 518 HH11 ARG 58 1HH1 ARG 58 4.184 -16.991 1.871 519 HH12 ARG 58 2HH1 ARG 58 3.925 -18.476 0.997 520 HH21 ARG 58 1HH2 ARG 58 5.663 -20.471 3.220 521 HH22 ARG 58 2HH2 ARG 58 4.747 -20.397 1.738 522 H VAL 59 H VAL 59 5.702 -12.147 7.180 523 HA VAL 59 HA VAL 59 7.580 -10.406 5.872 524 HB VAL 59 HB VAL 59 5.465 -9.690 7.957 525 HG11 VAL 59 1HG1 VAL 59 5.496 -7.491 6.962 526 HG12 VAL 59 2HG1 VAL 59 7.114 -7.919 7.535 527 HG13 VAL 59 3HG1 VAL 59 6.750 -8.002 5.799 528 HG21 VAL 59 3HG2 VAL 59 4.420 -10.892 6.143 529 HG22 VAL 59 1HG2 VAL 59 4.030 -9.172 6.003 530 HG23 VAL 59 2HG2 VAL 59 5.263 -9.891 4.941 531 H GLY 60 H GLY 60 6.990 -11.304 9.281 532 HA2 GLY 60 1HA GLY 60 8.912 -9.407 10.304 533 HA3 GLY 60 2HA GLY 60 8.179 -10.767 11.178 534 H ASP 61 H ASP 61 8.974 -12.834 9.392 535 HA ASP 61 HA ASP 61 11.614 -13.432 10.308 536 HB2 ASP 61 1HB ASP 61 10.102 -14.522 7.886 537 HB3 ASP 61 2HB ASP 61 11.518 -15.274 8.633 538 H CYS 62 H CYS 62 10.277 -12.093 7.292 539 HA CYS 62 HA CYS 62 12.711 -11.858 5.835 540 HB2 CYS 62 1HB CYS 62 9.959 -11.031 5.593 541 HB3 CYS 62 2HB CYS 62 10.997 -9.670 5.220 542 HG CYS 62 HG CYS 62 10.431 -10.563 2.983 543 H PHE 63 H PHE 63 11.050 -9.518 8.041 544 HA PHE 63 HA PHE 63 12.888 -7.377 7.567 545 HB2 PHE 63 1HB PHE 63 11.356 -8.085 10.094 546 HB3 PHE 63 2HB PHE 63 12.272 -6.600 9.877 547 HD1 PHE 63 HD1 PHE 63 11.440 -6.141 6.883 548 HD2 PHE 63 HD2 PHE 63 9.254 -7.031 10.480 549 HE1 PHE 63 HE1 PHE 63 9.457 -4.958 5.960 550 HE2 PHE 63 HE2 PHE 63 7.268 -5.830 9.571 551 HZ PHE 63 HZ PHE 63 7.368 -4.789 7.311 552 H GLN 64 H GLN 64 13.045 -10.215 9.691 553 HA GLN 64 HA GLN 64 15.221 -9.244 11.273 554 HB2 GLN 64 1HB GLN 64 13.778 -11.212 11.830 555 HB3 GLN 64 2HB GLN 64 14.611 -12.135 10.571 556 HG2 GLN 64 1HG GLN 64 16.721 -11.941 11.738 557 HG3 GLN 64 2HG GLN 64 16.017 -10.824 12.915 558 HE21 GLN 64 2HE2 GLN 64 16.136 -11.885 14.786 559 HE22 GLN 64 1HE2 GLN 64 15.467 -13.473 15.070 560 H ASP 65 H ASP 65 15.166 -11.152 8.214 561 HA ASP 65 HA ASP 65 18.059 -11.314 8.147 562 HB2 ASP 65 1HB ASP 65 16.364 -12.801 6.972 563 HB3 ASP 65 2HB ASP 65 16.200 -11.514 5.772 564 H TYR 66 H TYR 66 15.631 -9.139 6.785 565 HA TYR 66 HA TYR 66 17.336 -7.591 5.113 566 HB2 TYR 66 1HB TYR 66 14.699 -7.667 5.707 567 HB3 TYR 66 2HB TYR 66 15.134 -6.276 6.671 568 HD1 TYR 66 HD1 TYR 66 16.471 -7.285 3.275 569 HD2 TYR 66 HD2 TYR 66 14.003 -4.536 5.498 570 HE1 TYR 66 HE1 TYR 66 16.097 -5.937 1.215 571 HE2 TYR 66 HE2 TYR 66 13.621 -3.212 3.419 572 HH TYR 66 HH TYR 66 13.820 -3.231 1.084 573 H PHE 67 H PHE 67 16.622 -7.540 8.583 574 HA PHE 67 HA PHE 67 18.181 -5.133 9.128 575 HB2 PHE 67 1HB PHE 67 16.340 -5.948 10.578 576 HB3 PHE 67 2HB PHE 67 17.282 -7.391 10.956 577 HD1 PHE 67 HD1 PHE 67 19.302 -7.256 12.382 578 HD2 PHE 67 HD2 PHE 67 16.834 -3.817 11.612 579 HE1 PHE 67 HE1 PHE 67 20.368 -6.066 14.292 580 HE2 PHE 67 HE2 PHE 67 17.873 -2.630 13.523 581 HZ PHE 67 HZ PHE 67 19.653 -3.748 14.871 582 H ASN 68 H ASN 68 18.814 -8.669 9.236 583 HA ASN 68 HA ASN 68 21.366 -8.448 10.500 584 HB2 ASN 68 1HB ASN 68 20.271 -10.546 8.577 585 HB3 ASN 68 2HB ASN 68 21.801 -10.701 9.445 586 HD21 ASN 68 2HD2 ASN 68 19.479 -12.402 9.562 587 HD22 ASN 68 1HD2 ASN 68 18.976 -12.407 11.236 588 H THR 69 H THR 69 20.405 -8.355 7.060 589 HA THR 69 HA THR 69 23.210 -8.444 6.259 590 HB THR 69 HB THR 69 21.214 -9.555 5.065 591 HG1 THR 69 HG1 THR 69 23.287 -9.479 4.165 592 HG21 THR 69 1HG2 THR 69 19.886 -7.428 4.917 593 HG22 THR 69 2HG2 THR 69 20.042 -8.389 3.433 594 HG23 THR 69 3HG2 THR 69 21.039 -6.939 3.646 595 H PHE 70 H PHE 70 20.959 -5.865 6.910 596 HA PHE 70 HA PHE 70 22.861 -3.970 5.567 597 HB2 PHE 70 1HB PHE 70 19.878 -3.819 6.018 598 HB3 PHE 70 2HB PHE 70 20.877 -2.415 5.658 599 HD1 PHE 70 HD1 PHE 70 22.217 -2.297 3.543 600 HD2 PHE 70 HD2 PHE 70 19.171 -5.261 4.225 601 HE1 PHE 70 HE1 PHE 70 22.060 -2.686 1.089 602 HE2 PHE 70 HE2 PHE 70 18.983 -5.634 1.767 603 HZ PHE 70 HZ PHE 70 20.431 -4.349 0.192 604 H GLY 71 H GLY 71 21.679 -4.898 8.667 605 HA2 GLY 71 1HA GLY 71 22.310 -3.987 10.698 606 HA3 GLY 71 2HA GLY 71 23.071 -2.628 9.863 607 HA PRO 72 HA PRO 72 19.039 -1.451 11.965 608 HB2 PRO 72 1HB PRO 72 19.990 0.369 13.757 609 HB3 PRO 72 2HB PRO 72 20.021 -1.396 14.070 610 HG2 PRO 72 1HG PRO 72 22.205 0.356 12.981 611 HG3 PRO 72 2HG PRO 72 22.259 -0.782 14.364 612 HD2 PRO 72 1HD PRO 72 23.133 -1.512 11.927 613 HD3 PRO 72 2HD PRO 72 22.215 -2.667 12.958 614 H GLU 73 H GLU 73 21.495 0.275 10.272 615 HA GLU 73 HA GLU 73 20.218 2.865 10.320 616 HB2 GLU 73 1HB GLU 73 22.189 1.736 8.298 617 HB3 GLU 73 2HB GLU 73 21.830 3.443 8.595 618 HG2 GLU 73 1HG GLU 73 23.222 1.490 10.463 619 HG3 GLU 73 2HG GLU 73 23.939 2.886 9.646 620 H LYS 74 H LYS 74 19.956 -0.025 8.315 621 HA LYS 74 HA LYS 74 18.315 1.437 6.317 622 HB2 LYS 74 1HB LYS 74 20.165 -0.411 5.962 623 HB3 LYS 74 2HB LYS 74 18.814 -1.514 6.225 624 HG2 LYS 74 1HG LYS 74 18.746 0.701 4.140 625 HG3 LYS 74 2HG LYS 74 19.428 -0.898 3.814 626 HD2 LYS 74 1HD LYS 74 17.214 -1.907 4.477 627 HD3 LYS 74 2HD LYS 74 16.554 -0.260 4.538 628 HE2 LYS 74 1HE LYS 74 17.270 0.080 2.173 629 HE3 LYS 74 2HE LYS 74 17.827 -1.603 2.122 630 HZ1 LYS 74 3HZ LYS 74 15.610 -1.367 1.190 631 HZ2 LYS 74 1HZ LYS 74 15.024 -0.745 2.595 632 HZ3 LYS 74 2HZ LYS 74 15.553 -2.303 2.537 633 H VAL 75 H VAL 75 18.027 -1.176 8.774 634 HA VAL 75 HA VAL 75 15.051 -0.852 8.468 635 HB VAL 75 HB VAL 75 16.628 -3.259 9.520 636 HG11 VAL 75 1HG1 VAL 75 14.439 -3.098 10.600 637 HG12 VAL 75 2HG1 VAL 75 13.641 -2.905 9.022 638 HG13 VAL 75 3HG1 VAL 75 14.431 -4.442 9.443 639 HG21 VAL 75 3HG2 VAL 75 15.762 -4.411 7.463 640 HG22 VAL 75 1HG2 VAL 75 15.276 -2.822 6.840 641 HG23 VAL 75 2HG2 VAL 75 16.989 -3.178 7.162 642 HA PRO 76 HA PRO 76 15.973 0.520 12.582 643 HB2 PRO 76 1HB PRO 76 13.580 1.457 13.418 644 HB3 PRO 76 2HB PRO 76 14.513 2.285 12.142 645 HG2 PRO 76 1HG PRO 76 12.195 0.412 11.866 646 HG3 PRO 76 2HG PRO 76 12.482 1.973 11.050 647 HD2 PRO 76 1HD PRO 76 13.028 -0.490 9.917 648 HD3 PRO 76 2HD PRO 76 13.900 1.022 9.487 649 H VAL 77 H VAL 77 15.731 -0.244 14.759 650 HA VAL 77 HA VAL 77 14.670 -2.891 15.050 651 HB VAL 77 HB VAL 77 15.061 -2.561 17.488 652 HG11 VAL 77 1HG1 VAL 77 16.903 -3.256 15.979 653 HG12 VAL 77 2HG1 VAL 77 17.358 -1.550 15.754 654 HG13 VAL 77 3HG1 VAL 77 17.493 -2.306 17.358 655 HG21 VAL 77 3HG2 VAL 77 16.065 -0.467 18.321 656 HG22 VAL 77 1HG2 VAL 77 15.887 0.284 16.722 657 HG23 VAL 77 2HG2 VAL 77 14.445 -0.160 17.673 658 H THR 78 H THR 78 13.192 0.252 15.194 659 HA THR 78 HA THR 78 10.954 -0.581 16.829 660 HB THR 78 HB THR 78 11.743 1.856 16.333 661 HG1 THR 78 HG1 THR 78 9.981 1.532 17.604 662 HG21 THR 78 1HG2 THR 78 10.648 3.031 14.588 663 HG22 THR 78 2HG2 THR 78 9.706 1.601 14.128 664 HG23 THR 78 3HG2 THR 78 11.456 1.646 13.836 665 H ALA 79 H ALA 79 11.836 -1.151 13.510 666 HA ALA 79 HA ALA 79 9.184 -1.307 12.434 667 HB1 ALA 79 3HB ALA 79 11.149 -1.300 10.991 668 HB2 ALA 79 1HB ALA 79 11.714 -2.831 11.696 669 HB3 ALA 79 2HB ALA 79 10.223 -2.791 10.726 670 H PHE 80 H PHE 80 11.192 -3.590 14.296 671 HA PHE 80 HA PHE 80 9.365 -5.803 13.993 672 HB2 PHE 80 1HB PHE 80 11.423 -5.228 16.152 673 HB3 PHE 80 2HB PHE 80 10.639 -6.785 15.858 674 HD1 PHE 80 HD2 PHE 80 11.106 -8.041 13.736 675 HD2 PHE 80 HD1 PHE 80 13.285 -4.496 14.823 676 HE1 PHE 80 HE2 PHE 80 12.869 -8.628 12.096 677 HE2 PHE 80 HE1 PHE 80 15.049 -5.057 13.164 678 HZ PHE 80 HZ PHE 80 14.836 -7.127 11.786 679 H SER 81 H SER 81 9.606 -3.079 16.216 680 HA SER 81 HA SER 81 7.726 -4.134 18.163 681 HB2 SER 81 1HB SER 81 9.377 -2.339 18.683 682 HB3 SER 81 2HB SER 81 8.512 -1.248 17.580 683 HG SER 81 HG SER 81 7.910 -1.052 19.827 684 H TYR 82 H TYR 82 7.557 -1.897 15.381 685 HA TYR 82 HA TYR 82 4.741 -1.400 15.541 686 HB2 TYR 82 1HB TYR 82 6.918 -1.096 13.521 687 HB3 TYR 82 2HB TYR 82 5.266 -1.187 12.894 688 HD1 TYR 82 HD1 TYR 82 3.605 0.488 13.411 689 HD2 TYR 82 HD2 TYR 82 7.621 0.853 14.933 690 HE1 TYR 82 HE1 TYR 82 3.192 2.903 13.976 691 HE2 TYR 82 HE2 TYR 82 7.185 3.233 15.516 692 HH TYR 82 HH TYR 82 5.688 4.966 15.460 693 H TRP 83 H TRP 83 6.694 -3.865 13.841 694 HA TRP 83 HA TRP 83 4.585 -5.092 12.431 695 HB2 TRP 83 1HB TRP 83 6.984 -5.586 12.077 696 HB3 TRP 83 2HB TRP 83 7.092 -6.287 13.687 697 HD1 TRP 83 HD1 TRP 83 5.740 -7.094 10.200 698 HE1 TRP 83 HE1 TRP 83 5.251 -9.583 10.002 699 HE3 TRP 83 HE3 TRP 83 6.498 -8.375 15.111 700 HZ2 TRP 83 HZ2 TRP 83 5.204 -11.820 11.732 701 HZ3 TRP 83 HZ3 TRP 83 6.263 -10.764 15.763 702 HH2 TRP 83 HH2 TRP 83 5.612 -12.476 14.074 703 H ASN 84 H ASN 84 5.748 -5.540 15.764 704 HA ASN 84 HA ASN 84 4.153 -7.822 16.372 705 HB2 ASN 84 1HB ASN 84 5.761 -5.842 17.862 706 HB3 ASN 84 2HB ASN 84 4.435 -6.560 18.782 707 HD21 ASN 84 2HD2 ASN 84 7.549 -7.039 17.418 708 HD22 ASN 84 1HD2 ASN 84 7.752 -8.693 17.961 709 H LEU 85 H LEU 85 3.377 -4.382 16.278 710 HA LEU 85 HA LEU 85 0.996 -4.545 17.893 711 HB2 LEU 85 1HB LEU 85 2.264 -2.470 17.313 712 HB3 LEU 85 2HB LEU 85 1.685 -2.600 15.660 713 HG LEU 85 HG LEU 85 -0.356 -2.488 17.849 714 HD11 LEU 85 1HD1 LEU 85 1.243 -0.099 16.838 715 HD12 LEU 85 2HD1 LEU 85 1.259 -0.763 18.493 716 HD13 LEU 85 3HD1 LEU 85 -0.218 -0.018 17.851 717 HD21 LEU 85 3HD2 LEU 85 -1.568 -1.122 16.155 718 HD22 LEU 85 1HD2 LEU 85 -1.114 -2.706 15.510 719 HD23 LEU 85 2HD2 LEU 85 -0.179 -1.264 15.052 720 H ILE 86 H ILE 86 1.624 -4.897 14.359 721 HA ILE 86 HA ILE 86 -1.237 -5.299 13.886 722 HB ILE 86 HB ILE 86 1.114 -5.825 12.044 723 HG12 ILE 86 1HG1 ILE 86 -0.449 -3.610 11.208 724 HG13 ILE 86 2HG1 ILE 86 -0.187 -3.380 12.935 725 HG21 ILE 86 1HG2 ILE 86 -0.814 -7.088 11.313 726 HG22 ILE 86 2HG2 ILE 86 -1.900 -5.711 11.590 727 HG23 ILE 86 3HG2 ILE 86 -0.690 -5.659 10.271 728 HD11 ILE 86 3HD1 ILE 86 1.876 -3.636 10.744 729 HD12 ILE 86 1HD1 ILE 86 1.613 -2.288 11.874 730 HD13 ILE 86 2HD1 ILE 86 2.287 -3.822 12.464 731 H LYS 87 H LYS 87 1.626 -7.251 14.495 732 HA LYS 87 HA LYS 87 0.714 -9.783 13.660 733 HB2 LYS 87 1HB LYS 87 3.008 -9.273 14.395 734 HB3 LYS 87 2HB LYS 87 2.415 -8.936 16.010 735 HG2 LYS 87 1HG LYS 87 1.576 -11.482 15.760 736 HG3 LYS 87 2HG LYS 87 3.022 -11.499 14.734 737 HD2 LYS 87 1HD LYS 87 3.974 -11.916 16.815 738 HD3 LYS 87 2HD LYS 87 4.076 -10.159 16.757 739 HE2 LYS 87 1HE LYS 87 1.913 -9.997 18.004 740 HE3 LYS 87 2HE LYS 87 1.868 -11.766 18.126 741 HZ1 LYS 87 3HZ LYS 87 3.860 -11.691 19.443 742 HZ2 LYS 87 1HZ LYS 87 2.772 -10.645 20.111 743 HZ3 LYS 87 2HZ LYS 87 4.039 -10.066 19.221 744 H GLU 88 H GLU 88 0.283 -8.167 16.868 745 HA GLU 88 HA GLU 88 -1.231 -10.394 17.917 746 HB2 GLU 88 1HB GLU 88 -1.798 -8.888 19.755 747 HB3 GLU 88 2HB GLU 88 -0.076 -8.778 19.361 748 HG2 GLU 88 1HG GLU 88 -0.531 -6.725 18.066 749 HG3 GLU 88 2HG GLU 88 -2.226 -6.793 18.556 750 H LEU 89 H LEU 89 -2.085 -7.525 16.025 751 HA LEU 89 HA LEU 89 -4.896 -7.723 16.542 752 HB2 LEU 89 1HB LEU 89 -3.330 -6.337 14.377 753 HB3 LEU 89 2HB LEU 89 -5.085 -6.280 14.480 754 HG LEU 89 HG LEU 89 -3.183 -5.279 16.618 755 HD11 LEU 89 1HD1 LEU 89 -3.940 -3.043 15.901 756 HD12 LEU 89 2HD1 LEU 89 -4.902 -3.788 14.602 757 HD13 LEU 89 3HD1 LEU 89 -3.128 -3.914 14.587 758 HD21 LEU 89 3HD2 LEU 89 -5.151 -5.913 17.769 759 HD22 LEU 89 1HD2 LEU 89 -6.208 -5.300 16.483 760 HD23 LEU 89 2HD2 LEU 89 -5.299 -4.168 17.510 761 H ILE 90 H ILE 90 -2.806 -9.140 14.024 762 HA ILE 90 HA ILE 90 -5.145 -10.253 12.646 763 HB ILE 90 HB ILE 90 -2.214 -11.084 12.407 764 HG12 ILE 90 1HG1 ILE 90 -3.831 -9.332 10.513 765 HG13 ILE 90 2HG1 ILE 90 -2.773 -8.670 11.761 766 HG21 ILE 90 1HG2 ILE 90 -2.969 -12.114 10.248 767 HG22 ILE 90 2HG2 ILE 90 -3.825 -12.832 11.618 768 HG23 ILE 90 3HG2 ILE 90 -4.639 -11.624 10.600 769 HD11 ILE 90 3HD1 ILE 90 -1.909 -10.438 9.441 770 HD12 ILE 90 1HD1 ILE 90 -1.577 -8.705 9.652 771 HD13 ILE 90 2HD1 ILE 90 -0.849 -9.892 10.758 772 H ASP 91 H ASP 91 -2.653 -11.403 14.948 773 HA ASP 91 HA ASP 91 -3.341 -14.152 14.913 774 HB2 ASP 91 1HB ASP 91 -1.316 -13.104 15.977 775 HB3 ASP 91 2HB ASP 91 -2.354 -12.532 17.292 776 H LYS 92 H LYS 92 -4.776 -11.422 16.649 777 HA LYS 92 HA LYS 92 -6.886 -13.302 17.641 778 HB2 LYS 92 1HB LYS 92 -5.868 -10.733 18.888 779 HB3 LYS 92 2HB LYS 92 -7.218 -11.685 19.502 780 HG2 LYS 92 1HG LYS 92 -4.510 -13.006 19.200 781 HG3 LYS 92 2HG LYS 92 -4.805 -11.909 20.547 782 HD2 LYS 92 1HD LYS 92 -5.304 -14.011 21.452 783 HD3 LYS 92 2HD LYS 92 -6.889 -13.326 21.082 784 HE2 LYS 92 1HE LYS 92 -6.876 -15.660 20.446 785 HE3 LYS 92 2HE LYS 92 -6.955 -14.684 18.986 786 HZ1 LYS 92 3HZ LYS 92 -4.561 -15.064 18.692 787 HZ2 LYS 92 1HZ LYS 92 -5.418 -16.469 18.700 788 HZ3 LYS 92 2HZ LYS 92 -4.539 -16.030 20.024 789 H LYS 93 H LYS 93 -6.854 -12.075 15.010 790 HA LYS 93 HA LYS 93 -8.534 -9.754 15.008 791 HB2 LYS 93 1HB LYS 93 -8.880 -10.111 12.688 792 HB3 LYS 93 2HB LYS 93 -7.209 -10.493 13.068 793 HG2 LYS 93 1HG LYS 93 -7.813 -12.936 13.036 794 HG3 LYS 93 2HG LYS 93 -9.434 -12.468 12.479 795 HD2 LYS 93 1HD LYS 93 -8.388 -11.273 10.548 796 HD3 LYS 93 2HD LYS 93 -6.797 -11.808 11.108 797 HE2 LYS 93 1HE LYS 93 -7.416 -13.286 9.354 798 HE3 LYS 93 2HE LYS 93 -7.610 -14.196 10.867 799 HZ1 LYS 93 3HZ LYS 93 -9.984 -13.761 10.756 800 HZ2 LYS 93 1HZ LYS 93 -9.495 -14.476 9.351 801 HZ3 LYS 93 2HZ LYS 93 -9.811 -12.857 9.388 802 H GLU 94 H GLU 94 -9.163 -13.045 15.631 803 HA GLU 94 HA GLU 94 -11.904 -13.295 14.972 804 HB2 GLU 94 1HB GLU 94 -11.809 -15.032 16.861 805 HB3 GLU 94 2HB GLU 94 -10.705 -15.246 15.496 806 HG2 GLU 94 1HG GLU 94 -8.841 -14.301 16.805 807 HG3 GLU 94 2HG GLU 94 -9.926 -14.010 18.171 808 H VAL 95 H VAL 95 -10.362 -11.695 17.749 809 HA VAL 95 HA VAL 95 -13.100 -11.176 18.852 810 HB VAL 95 HB VAL 95 -11.967 -10.782 21.043 811 HG11 VAL 95 1HG1 VAL 95 -11.369 -13.532 19.861 812 HG12 VAL 95 2HG1 VAL 95 -11.577 -13.135 21.581 813 HG13 VAL 95 3HG1 VAL 95 -12.952 -12.997 20.468 814 HG21 VAL 95 3HG2 VAL 95 -9.698 -10.211 20.146 815 HG22 VAL 95 1HG2 VAL 95 -9.649 -11.466 21.397 816 HG23 VAL 95 2HG2 VAL 95 -9.476 -11.919 19.689 817 H ASN 96 H ASN 96 -11.109 -9.827 16.819 818 HA ASN 96 HA ASN 96 -11.508 -7.062 17.912 819 HB2 ASN 96 1HB ASN 96 -9.137 -8.282 16.493 820 HB3 ASN 96 2HB ASN 96 -9.475 -6.553 16.379 821 HD21 ASN 96 2HD2 ASN 96 -8.169 -9.050 18.301 822 HD22 ASN 96 1HD2 ASN 96 -7.753 -8.041 19.673 823 HA PRO 97 HA PRO 97 -13.675 -7.971 13.968 824 HB2 PRO 97 1HB PRO 97 -15.983 -6.551 14.365 825 HB3 PRO 97 2HB PRO 97 -15.712 -8.193 15.037 826 HG2 PRO 97 1HG PRO 97 -15.305 -5.525 16.386 827 HG3 PRO 97 2HG PRO 97 -16.243 -6.946 16.957 828 HD2 PRO 97 1HD PRO 97 -13.728 -6.533 17.804 829 HD3 PRO 97 2HD PRO 97 -14.294 -8.194 17.403 830 H GLN 98 H GLN 98 -13.011 -4.833 15.467 831 HA GLN 98 HA GLN 98 -13.668 -3.278 13.138 832 HB2 GLN 98 1HB GLN 98 -12.651 -1.424 14.175 833 HB3 GLN 98 2HB GLN 98 -13.497 -2.315 15.438 834 HG2 GLN 98 1HG GLN 98 -10.505 -2.417 14.949 835 HG3 GLN 98 2HG GLN 98 -11.294 -1.351 16.105 836 HE21 GLN 98 2HE2 GLN 98 -11.608 -2.073 18.134 837 HE22 GLN 98 1HE2 GLN 98 -11.419 -3.737 18.634 838 H VAL 99 H VAL 99 -10.738 -4.988 14.244 839 HA VAL 99 HA VAL 99 -9.310 -3.953 11.903 840 HB VAL 99 HB VAL 99 -7.349 -4.924 12.656 841 HG11 VAL 99 1HG1 VAL 99 -8.785 -4.529 15.297 842 HG12 VAL 99 2HG1 VAL 99 -7.094 -4.197 14.892 843 HG13 VAL 99 3HG1 VAL 99 -8.368 -3.182 14.210 844 HG21 VAL 99 3HG2 VAL 99 -7.894 -7.230 12.871 845 HG22 VAL 99 1HG2 VAL 99 -7.289 -6.726 14.459 846 HG23 VAL 99 2HG2 VAL 99 -9.027 -6.922 14.191 847 H MET 100 H MET 100 -11.096 -6.870 12.809 848 HA MET 100 HA MET 100 -10.077 -8.581 10.791 849 HB2 MET 100 1HB MET 100 -11.921 -8.773 12.777 850 HB3 MET 100 2HB MET 100 -12.980 -8.705 11.391 851 HG2 MET 100 1HG MET 100 -10.877 -10.749 12.069 852 HG3 MET 100 2HG MET 100 -12.605 -11.004 11.891 853 HE1 MET 100 3HE MET 100 -13.848 -11.364 9.588 854 HE2 MET 100 1HE MET 100 -13.405 -9.712 9.088 855 HE3 MET 100 2HE MET 100 -13.093 -11.082 8.001 856 H ALA 101 H ALA 101 -12.752 -6.183 10.706 857 HA ALA 101 HA ALA 101 -13.474 -6.716 7.975 858 HB1 ALA 101 3HB ALA 101 -14.974 -5.521 9.474 859 HB2 ALA 101 1HB ALA 101 -13.775 -4.230 9.705 860 HB3 ALA 101 2HB ALA 101 -14.543 -4.456 8.115 861 H ALA 102 H ALA 102 -10.850 -4.914 9.456 862 HA ALA 102 HA ALA 102 -10.225 -3.394 7.045 863 HB1 ALA 102 3HB ALA 102 -9.766 -2.631 9.450 864 HB2 ALA 102 1HB ALA 102 -8.467 -3.839 9.498 865 HB3 ALA 102 2HB ALA 102 -8.395 -2.504 8.333 866 H VAL 103 H VAL 103 -9.292 -6.458 8.597 867 HA VAL 103 HA VAL 103 -6.978 -7.011 6.986 868 HB VAL 103 HB VAL 103 -9.015 -8.914 8.272 869 HG11 VAL 103 1HG1 VAL 103 -6.351 -9.533 6.975 870 HG12 VAL 103 2HG1 VAL 103 -7.245 -10.664 8.008 871 HG13 VAL 103 3HG1 VAL 103 -7.949 -10.123 6.475 872 HG21 VAL 103 3HG2 VAL 103 -7.271 -9.253 9.985 873 HG22 VAL 103 1HG2 VAL 103 -6.216 -8.089 9.152 874 HG23 VAL 103 2HG2 VAL 103 -7.737 -7.555 9.888 875 H ALA 104 H ALA 104 -10.443 -7.842 6.648 876 HA ALA 104 HA ALA 104 -10.189 -9.134 4.135 877 HB1 ALA 104 3HB ALA 104 -12.559 -7.585 5.283 878 HB2 ALA 104 1HB ALA 104 -12.624 -8.768 3.954 879 HB3 ALA 104 2HB ALA 104 -12.182 -9.297 5.597 880 H GLN 105 H GLN 105 -10.897 -5.688 4.939 881 HA GLN 105 HA GLN 105 -11.170 -4.859 2.232 882 HB2 GLN 105 1HB GLN 105 -10.536 -3.471 4.821 883 HB3 GLN 105 2HB GLN 105 -10.284 -2.612 3.289 884 HG2 GLN 105 1HG GLN 105 -12.654 -3.189 2.659 885 HG3 GLN 105 2HG GLN 105 -12.884 -3.790 4.307 886 HE21 GLN 105 2HE2 GLN 105 -14.194 -2.329 5.229 887 HE22 GLN 105 1HE2 GLN 105 -13.898 -0.605 5.274 888 H THR 106 H THR 106 -8.211 -5.208 4.261 889 HA THR 106 HA THR 106 -6.557 -3.880 2.308 890 HB THR 106 HB THR 106 -5.653 -5.997 4.299 891 HG1 THR 106 HG1 THR 106 -6.800 -4.346 5.360 892 HG21 THR 106 1HG2 THR 106 -3.948 -5.309 2.625 893 HG22 THR 106 2HG2 THR 106 -3.546 -4.695 4.244 894 HG23 THR 106 3HG2 THR 106 -4.249 -3.604 3.033 895 H GLU 107 H GLU 107 -7.577 -7.290 2.832 896 HA GLU 107 HA GLU 107 -5.941 -8.400 0.763 897 HB2 GLU 107 1HB GLU 107 -8.638 -9.245 1.863 898 HB3 GLU 107 2HB GLU 107 -7.752 -10.173 0.650 899 HG2 GLU 107 1HG GLU 107 -5.851 -10.386 2.206 900 HG3 GLU 107 2HG GLU 107 -6.765 -9.507 3.435 901 H GLU 108 H GLU 108 -9.192 -6.854 0.646 902 HA GLU 108 HA GLU 108 -9.651 -7.386 -2.146 903 HB2 GLU 108 1HB GLU 108 -10.603 -5.137 -0.343 904 HB3 GLU 108 2HB GLU 108 -11.185 -5.389 -1.985 905 HG2 GLU 108 1HG GLU 108 -12.108 -7.556 -1.366 906 HG3 GLU 108 2HG GLU 108 -11.478 -7.379 0.276 907 H ILE 109 H ILE 109 -8.219 -4.587 -0.438 908 HA ILE 109 HA ILE 109 -7.882 -2.936 -2.750 909 HB ILE 109 HB ILE 109 -6.398 -3.009 -0.075 910 HG12 ILE 109 1HG1 ILE 109 -8.390 -0.944 -1.052 911 HG13 ILE 109 2HG1 ILE 109 -8.941 -2.439 -0.313 912 HG21 ILE 109 1HG2 ILE 109 -4.916 -1.874 -1.666 913 HG22 ILE 109 2HG2 ILE 109 -6.266 -0.896 -2.294 914 HG23 ILE 109 3HG2 ILE 109 -5.669 -0.646 -0.639 915 HD11 ILE 109 3HD1 ILE 109 -8.918 -0.847 1.432 916 HD12 ILE 109 1HD1 ILE 109 -7.485 -1.855 1.704 917 HD13 ILE 109 2HD1 ILE 109 -7.312 -0.238 0.977 918 H LEU 110 H LEU 110 -5.865 -5.490 -1.324 919 HA LEU 110 HA LEU 110 -3.551 -5.011 -2.937 920 HB2 LEU 110 1HB LEU 110 -4.657 -7.214 -1.282 921 HB3 LEU 110 2HB LEU 110 -3.513 -7.701 -2.523 922 HG LEU 110 HG LEU 110 -1.744 -6.558 -1.555 923 HD11 LEU 110 1HD1 LEU 110 -3.674 -4.969 0.159 924 HD12 LEU 110 2HD1 LEU 110 -2.600 -4.350 -1.111 925 HD13 LEU 110 3HD1 LEU 110 -1.921 -4.994 0.387 926 HD21 LEU 110 3HD2 LEU 110 -2.424 -8.545 -0.301 927 HD22 LEU 110 1HD2 LEU 110 -3.474 -7.549 0.734 928 HD23 LEU 110 2HD2 LEU 110 -1.707 -7.341 0.784 929 H LYS 111 H LYS 111 -6.534 -6.898 -3.618 930 HA LYS 111 HA LYS 111 -5.465 -7.998 -6.092 931 HB2 LYS 111 1HB LYS 111 -8.393 -7.527 -5.438 932 HB3 LYS 111 2HB LYS 111 -7.725 -8.712 -6.560 933 HG2 LYS 111 1HG LYS 111 -7.413 -8.741 -3.560 934 HG3 LYS 111 2HG LYS 111 -8.564 -9.711 -4.456 935 HD2 LYS 111 1HD LYS 111 -6.999 -11.223 -5.072 936 HD3 LYS 111 2HD LYS 111 -5.737 -9.999 -5.301 937 HE2 LYS 111 1HE LYS 111 -5.271 -11.554 -3.408 938 HE3 LYS 111 2HE LYS 111 -5.320 -9.847 -2.945 939 HZ1 LYS 111 3HZ LYS 111 -7.596 -11.698 -2.556 940 HZ2 LYS 111 1HZ LYS 111 -7.458 -10.150 -1.988 941 HZ3 LYS 111 2HZ LYS 111 -6.481 -11.341 -1.387 942 H SER 112 H SER 112 -6.940 -4.992 -5.165 943 HA SER 112 HA SER 112 -7.714 -4.243 -7.887 944 HB2 SER 112 1HB SER 112 -8.827 -3.543 -5.700 945 HB3 SER 112 2HB SER 112 -7.450 -2.465 -5.442 946 HG SER 112 HG SER 112 -7.977 -1.656 -7.639 947 H ASN 113 H ASN 113 -4.846 -4.239 -6.081 948 HA ASN 113 HA ASN 113 -3.773 -1.789 -7.344 949 HB2 ASN 113 1HB ASN 113 -3.162 -3.426 -4.982 950 HB3 ASN 113 2HB ASN 113 -1.728 -2.901 -5.873 951 HD21 ASN 113 2HD2 ASN 113 -4.433 -1.920 -3.947 952 HD22 ASN 113 1HD2 ASN 113 -3.937 -0.246 -3.768 953 H SER 114 H SER 114 -1.976 -1.668 -8.628 954 HA SER 114 HA SER 114 -1.387 -4.132 -10.164 955 HB2 SER 114 1HB SER 114 -0.576 -1.225 -10.565 956 HB3 SER 114 2HB SER 114 -0.168 -2.562 -11.665 957 HG SER 114 HG SER 114 -2.851 -2.113 -10.927 958 H GLN 115 H GLN 115 0.337 -5.338 -9.721 959 HA GLN 115 HA GLN 115 2.276 -4.586 -7.721 960 HB2 GLN 115 1HB GLN 115 3.288 -6.731 -8.236 961 HB3 GLN 115 2HB GLN 115 1.538 -6.889 -8.083 962 HG2 GLN 115 1HG GLN 115 1.255 -7.137 -10.452 963 HG3 GLN 115 2HG GLN 115 2.916 -6.620 -10.773 964 HE21 GLN 115 2HE2 GLN 115 4.037 -8.258 -11.538 965 HE22 GLN 115 1HE2 GLN 115 4.012 -9.886 -10.906 966 H THR 116 H THR 116 2.129 -3.140 -10.500 967 HA THR 116 HA THR 116 4.671 -3.681 -11.703 968 HB THR 116 HB THR 116 4.143 -1.609 -13.074 969 HG1 THR 116 HG1 THR 116 2.890 -0.537 -11.501 970 HG21 THR 116 1HG2 THR 116 3.359 -3.872 -13.782 971 HG22 THR 116 2HG2 THR 116 2.225 -2.581 -14.235 972 HG23 THR 116 3HG2 THR 116 1.865 -3.624 -12.845 973 H ASP 117 H ASP 117 3.705 -1.863 -9.178 974 HA ASP 117 HA ASP 117 4.639 -0.218 -7.832 975 HB2 ASP 117 1HB ASP 117 5.876 -2.458 -7.542 976 HB3 ASP 117 2HB ASP 117 7.226 -1.679 -8.379 977 H LEU 118 H LEU 118 4.655 0.750 -10.604 978 HA LEU 118 HA LEU 118 7.257 1.764 -11.212 979 HB2 LEU 118 1HB LEU 118 6.198 2.999 -12.999 980 HB3 LEU 118 2HB LEU 118 5.644 1.342 -12.942 981 HG LEU 118 HG LEU 118 3.646 2.582 -11.531 982 HD11 LEU 118 1HD1 LEU 118 4.578 4.837 -11.981 983 HD12 LEU 118 2HD1 LEU 118 3.012 4.610 -12.785 984 HD13 LEU 118 3HD1 LEU 118 4.518 4.515 -13.729 985 HD21 LEU 118 3HD2 LEU 118 3.824 2.221 -14.550 986 HD22 LEU 118 1HD2 LEU 118 2.328 2.357 -13.594 987 HD23 LEU 118 2HD2 LEU 118 3.397 0.959 -13.371 988 H GLU 119 H GLU 119 8.189 3.692 -11.009 989 HA GLU 119 HA GLU 119 7.013 5.435 -8.940 990 HB2 GLU 119 1HB GLU 119 9.173 6.482 -8.804 991 HB3 GLU 119 2HB GLU 119 9.361 4.742 -8.675 992 HG2 GLU 119 1HG GLU 119 10.368 4.575 -10.817 993 HG3 GLU 119 2HG GLU 119 9.785 6.172 -11.308 994 H HIS 120 H HIS 120 6.616 7.636 -9.216 995 HA HIS 120 HA HIS 120 6.601 8.579 -12.069 996 HB2 HIS 120 1HB HIS 120 4.383 8.201 -10.605 997 HB3 HIS 120 2HB HIS 120 4.794 9.829 -10.041 998 HD1 HIS 120 HD1 HIS 120 5.454 11.491 -12.330 999 HD2 HIS 120 HD2 HIS 120 2.753 8.312 -12.773 1000 HE1 HIS 120 HE1 HIS 120 4.066 11.974 -14.426 1001 H HIS 121 H HIS 121 8.191 8.774 -9.255 1002 HA HIS 121 HA HIS 121 9.513 11.307 -9.887 1003 HB2 HIS 121 1HB HIS 121 7.618 12.049 -8.371 1004 HB3 HIS 121 2HB HIS 121 8.139 10.841 -7.188 1005 HD1 HIS 121 HD1 HIS 121 8.936 14.284 -8.485 1006 HD2 HIS 121 HD2 HIS 121 10.579 11.482 -5.823 1007 HE1 HIS 121 HE1 HIS 121 10.702 15.510 -7.109 1008 H HIS 122 H HIS 122 11.681 11.002 -8.976 1009 HA HIS 122 HA HIS 122 12.502 8.344 -8.784 1010 HB2 HIS 122 1HB HIS 122 13.776 10.921 -7.894 1011 HB3 HIS 122 2HB HIS 122 14.557 9.367 -7.612 1012 HD1 HIS 122 HD1 HIS 122 13.266 8.306 -10.579 1013 HD2 HIS 122 HD2 HIS 122 15.968 11.429 -9.732 1014 HE1 HIS 122 HE1 HIS 122 14.606 8.748 -12.702 1015 H HIS 123 H HIS 123 12.150 6.825 -7.521 1016 HA HIS 123 HA HIS 123 11.868 7.277 -4.560 1017 HB2 HIS 123 1HB HIS 123 9.963 6.158 -5.747 1018 HB3 HIS 123 2HB HIS 123 11.072 4.926 -6.358 1019 HD1 HIS 123 HD1 HIS 123 12.080 3.176 -4.560 1020 HD2 HIS 123 HD2 HIS 123 9.031 5.714 -3.152 1021 HE1 HIS 123 HE1 HIS 123 11.219 2.174 -2.385 1022 H HIS 124 H HIS 124 13.378 5.363 -7.162 1023 HA HIS 124 HA HIS 124 15.215 4.013 -7.258 1024 HB2 HIS 124 1HB HIS 124 16.252 5.845 -5.062 1025 HB3 HIS 124 2HB HIS 124 17.230 4.688 -5.970 1026 HD1 HIS 124 HD1 HIS 124 16.937 5.126 -8.792 1027 HD2 HIS 124 HD2 HIS 124 16.496 8.296 -6.121 1028 HE1 HIS 124 HE1 HIS 124 17.301 7.253 -10.108 1029 H HIS 125 H HIS 125 16.977 3.047 -5.242 1030 HA HIS 125 HA HIS 125 17.150 1.244 -3.849 1031 HB2 HIS 125 1HB HIS 125 14.482 2.021 -2.626 1032 HB3 HIS 125 2HB HIS 125 15.775 1.073 -1.895 1033 HD1 HIS 125 HD1 HIS 125 14.790 4.648 -2.755 1034 HD2 HIS 125 HD2 HIS 125 17.846 2.589 -0.740 1035 HE1 HIS 125 HE1 HIS 125 16.141 6.387 -1.463 Start of MODEL 32 1 H21 MYR 1 1H2 MYR 1 1.082 0.595 -1.262 2 H22 MYR 1 2H2 MYR 1 2.338 0.278 -0.079 3 H31 MYR 1 1H3 MYR 1 -0.207 -1.410 -0.473 4 H32 MYR 1 2H3 MYR 1 1.397 -1.836 -1.067 5 H41 MYR 1 1H4 MYR 1 2.242 -1.910 1.334 6 H42 MYR 1 2H4 MYR 1 0.611 -1.543 1.889 7 H51 MYR 1 1H5 MYR 1 -0.206 -3.648 0.722 8 H52 MYR 1 2H5 MYR 1 1.445 -4.043 0.313 9 H61 MYR 1 1H6 MYR 1 0.851 -5.349 2.258 10 H62 MYR 1 2H6 MYR 1 2.009 -4.141 2.795 11 H71 MYR 1 1H7 MYR 1 0.240 -2.789 3.824 12 H72 MYR 1 2H7 MYR 1 -1.033 -3.751 3.076 13 H81 MYR 1 1H8 MYR 1 -0.609 -5.649 4.496 14 H82 MYR 1 2H8 MYR 1 0.950 -5.025 5.032 15 H91 MYR 1 1H9 MYR 1 -1.741 -3.667 5.659 16 H92 MYR 1 2H9 MYR 1 -0.156 -3.154 6.209 17 H101 MYR 1 1H10 MYR 1 -1.042 -4.266 8.096 18 H102 MYR 1 2H10 MYR 1 0.084 -5.404 7.411 19 H111 MYR 1 1H11 MYR 1 -1.929 -6.541 6.226 20 H112 MYR 1 2H11 MYR 1 -1.805 -6.752 7.956 21 H121 MYR 1 1H12 MYR 1 -3.592 -4.576 6.709 22 H122 MYR 1 2H12 MYR 1 -4.156 -6.212 6.997 23 H131 MYR 1 1H13 MYR 1 -3.675 -5.971 9.457 24 H132 MYR 1 2H13 MYR 1 -3.107 -4.324 9.186 25 H141 MYR 1 1H14 MYR 1 -5.954 -5.351 8.717 26 H142 MYR 1 2H14 MYR 1 -5.422 -4.228 9.976 27 H143 MYR 1 3H14 MYR 1 -5.408 -3.724 8.282 28 H GLY 2 H GLY 2 2.022 0.756 2.021 29 HA2 GLY 2 1HA GLY 2 -0.333 1.315 3.425 30 HA3 GLY 2 2HA GLY 2 1.280 1.866 3.882 31 H GLN 3 H GLN 3 1.723 3.543 1.532 32 HA GLN 3 HA GLN 3 0.479 5.930 2.528 33 HB2 GLN 3 1HB GLN 3 1.861 5.310 -0.098 34 HB3 GLN 3 2HB GLN 3 1.377 6.937 0.404 35 HG2 GLN 3 1HG GLN 3 2.865 6.881 2.303 36 HG3 GLN 3 2HG GLN 3 3.231 5.172 2.038 37 HE21 GLN 3 2HE2 GLN 3 4.342 4.567 0.061 38 HE22 GLN 3 1HE2 GLN 3 5.482 5.713 -0.625 39 H GLU 4 H GLU 4 -0.390 3.721 -0.156 40 HA GLU 4 HA GLU 4 -2.555 5.437 -1.074 41 HB2 GLU 4 1HB GLU 4 -1.484 3.815 -2.563 42 HB3 GLU 4 2HB GLU 4 -2.023 2.480 -1.529 43 HG2 GLU 4 1HG GLU 4 -4.221 2.659 -2.183 44 HG3 GLU 4 2HG GLU 4 -4.076 4.384 -2.558 45 H LEU 5 H LEU 5 -2.181 2.815 1.279 46 HA LEU 5 HA LEU 5 -4.973 2.359 1.682 47 HB2 LEU 5 1HB LEU 5 -2.622 2.059 3.557 48 HB3 LEU 5 2HB LEU 5 -4.249 1.580 3.960 49 HG LEU 5 HG LEU 5 -2.608 0.404 1.703 50 HD11 LEU 5 1HD1 LEU 5 -1.770 -0.161 3.978 51 HD12 LEU 5 2HD1 LEU 5 -2.408 -1.569 3.111 52 HD13 LEU 5 3HD1 LEU 5 -3.380 -0.801 4.386 53 HD21 LEU 5 3HD2 LEU 5 -4.984 0.255 1.190 54 HD22 LEU 5 1HD2 LEU 5 -5.330 -0.389 2.812 55 HD23 LEU 5 2HD2 LEU 5 -4.377 -1.342 1.650 56 H SER 6 H SER 6 -2.744 4.812 3.097 57 HA SER 6 HA SER 6 -4.738 5.966 4.823 58 HB2 SER 6 1HB SER 6 -3.065 8.057 4.035 59 HB3 SER 6 2HB SER 6 -2.876 7.015 5.459 60 HG SER 6 HG SER 6 -1.748 6.629 2.871 61 H GLN 7 H GLN 7 -4.165 6.272 1.361 62 HA GLN 7 HA GLN 7 -5.763 8.714 1.074 63 HB2 GLN 7 1HB GLN 7 -3.899 8.034 -0.456 64 HB3 GLN 7 2HB GLN 7 -4.861 6.654 -0.981 65 HG2 GLN 7 1HG GLN 7 -6.526 8.117 -1.961 66 HG3 GLN 7 2HG GLN 7 -5.688 9.544 -1.325 67 HE21 GLN 7 2HE2 GLN 7 -5.068 6.654 -3.371 68 HE22 GLN 7 1HE2 GLN 7 -4.027 7.490 -4.490 69 H HIS 8 H HIS 8 -6.238 5.263 1.143 70 HA HIS 8 HA HIS 8 -8.871 5.246 -0.095 71 HB2 HIS 8 1HB HIS 8 -7.001 3.410 0.160 72 HB3 HIS 8 2HB HIS 8 -7.747 3.068 1.696 73 HD1 HIS 8 HD1 HIS 8 -8.177 2.693 -2.021 74 HD2 HIS 8 HD2 HIS 8 -10.352 1.862 1.467 75 HE1 HIS 8 HE1 HIS 8 -10.071 1.116 -2.681 76 H GLU 9 H GLU 9 -9.783 7.024 1.358 77 HA GLU 9 HA GLU 9 -9.984 6.904 4.104 78 HB2 GLU 9 1HB GLU 9 -11.358 8.267 1.990 79 HB3 GLU 9 2HB GLU 9 -12.515 7.823 3.248 80 HG2 GLU 9 1HG GLU 9 -9.933 9.380 3.683 81 HG3 GLU 9 2HG GLU 9 -11.555 10.080 3.600 82 H ARG 10 H ARG 10 -11.990 4.947 1.909 83 HA ARG 10 HA ARG 10 -13.922 4.179 3.891 84 HB2 ARG 10 1HB ARG 10 -14.062 3.875 1.373 85 HB3 ARG 10 2HB ARG 10 -12.987 2.480 1.554 86 HG2 ARG 10 1HG ARG 10 -14.632 1.357 2.977 87 HG3 ARG 10 2HG ARG 10 -15.671 2.796 2.945 88 HD2 ARG 10 1HD ARG 10 -15.862 2.551 0.460 89 HD3 ARG 10 2HD ARG 10 -14.920 1.053 0.572 90 HE ARG 10 HE ARG 10 -16.749 -0.055 1.500 91 HH11 ARG 10 1HH1 ARG 10 -17.545 3.382 1.216 92 HH12 ARG 10 2HH1 ARG 10 -19.239 3.104 1.514 93 HH21 ARG 10 1HH2 ARG 10 -18.917 -0.318 1.887 94 HH22 ARG 10 2HH2 ARG 10 -19.995 1.052 1.898 95 H TYR 11 H TYR 11 -10.664 3.043 3.213 96 HA TYR 11 HA TYR 11 -10.920 0.714 5.015 97 HB2 TYR 11 1HB TYR 11 -9.540 0.404 3.086 98 HB3 TYR 11 2HB TYR 11 -8.697 1.930 3.358 99 HD1 TYR 11 HD2 TYR 11 -9.255 -1.406 4.986 100 HD2 TYR 11 HD1 TYR 11 -6.657 1.978 4.493 101 HE1 TYR 11 HE2 TYR 11 -7.468 -2.571 6.258 102 HE2 TYR 11 HE1 TYR 11 -4.886 0.784 5.772 103 HH TYR 11 HH TYR 11 -4.266 -1.121 6.802 104 H VAL 12 H VAL 12 -9.474 3.963 4.840 105 HA VAL 12 HA VAL 12 -8.114 3.984 7.324 106 HB VAL 12 HB VAL 12 -9.613 6.246 5.939 107 HG11 VAL 12 1HG1 VAL 12 -7.547 6.393 8.150 108 HG12 VAL 12 2HG1 VAL 12 -8.180 7.781 7.243 109 HG13 VAL 12 3HG1 VAL 12 -9.255 6.836 8.284 110 HG21 VAL 12 3HG2 VAL 12 -7.408 6.904 5.120 111 HG22 VAL 12 1HG2 VAL 12 -6.667 5.520 5.957 112 HG23 VAL 12 2HG2 VAL 12 -7.780 5.255 4.606 113 H GLU 13 H GLU 13 -11.592 4.310 6.588 114 HA GLU 13 HA GLU 13 -12.522 5.260 9.032 115 HB2 GLU 13 1HB GLU 13 -13.761 4.616 6.861 116 HB3 GLU 13 2HB GLU 13 -13.899 3.009 7.571 117 HG2 GLU 13 1HG GLU 13 -14.926 5.595 8.803 118 HG3 GLU 13 2HG GLU 13 -15.912 4.416 7.923 119 H GLN 14 H GLN 14 -11.940 1.783 8.254 120 HA GLN 14 HA GLN 14 -12.556 0.980 10.949 121 HB2 GLN 14 1HB GLN 14 -11.083 -0.363 8.676 122 HB3 GLN 14 2HB GLN 14 -11.264 -1.123 10.260 123 HG2 GLN 14 1HG GLN 14 -13.619 -0.153 8.620 124 HG3 GLN 14 2HG GLN 14 -12.964 -1.791 8.516 125 HE21 GLN 14 2HE2 GLN 14 -15.263 -2.202 9.131 126 HE22 GLN 14 1HE2 GLN 14 -15.620 -2.322 10.833 127 H LEU 15 H LEU 15 -9.618 2.142 9.374 128 HA LEU 15 HA LEU 15 -7.916 1.329 11.573 129 HB2 LEU 15 1HB LEU 15 -7.519 3.395 9.410 130 HB3 LEU 15 2HB LEU 15 -6.334 3.022 10.640 131 HG LEU 15 HG LEU 15 -7.279 1.178 8.437 132 HD11 LEU 15 1HD1 LEU 15 -4.675 2.606 9.126 133 HD12 LEU 15 2HD1 LEU 15 -5.731 2.889 7.716 134 HD13 LEU 15 3HD1 LEU 15 -4.827 1.371 7.864 135 HD21 LEU 15 3HD2 LEU 15 -5.352 0.622 10.744 136 HD22 LEU 15 1HD2 LEU 15 -5.532 -0.399 9.297 137 HD23 LEU 15 2HD2 LEU 15 -6.891 -0.214 10.417 138 H LYS 16 H LYS 16 -10.113 4.041 11.088 139 HA LYS 16 HA LYS 16 -8.897 5.846 12.983 140 HB2 LYS 16 1HB LYS 16 -11.881 5.421 12.487 141 HB3 LYS 16 2HB LYS 16 -11.154 6.806 13.292 142 HG2 LYS 16 1HG LYS 16 -10.041 7.435 11.117 143 HG3 LYS 16 2HG LYS 16 -10.888 6.083 10.360 144 HD2 LYS 16 1HD LYS 16 -13.059 7.141 11.298 145 HD3 LYS 16 2HD LYS 16 -12.084 8.605 11.505 146 HE2 LYS 16 1HE LYS 16 -12.627 7.118 8.888 147 HE3 LYS 16 2HE LYS 16 -13.341 8.647 9.372 148 HZ1 LYS 16 3HZ LYS 16 -10.462 8.251 8.837 149 HZ2 LYS 16 1HZ LYS 16 -11.210 9.687 9.142 150 HZ3 LYS 16 2HZ LYS 16 -11.537 8.859 7.748 151 H GLN 17 H GLN 17 -11.147 3.115 13.212 152 HA GLN 17 HA GLN 17 -11.307 3.197 16.112 153 HB2 GLN 17 1HB GLN 17 -11.958 1.072 14.044 154 HB3 GLN 17 2HB GLN 17 -12.231 0.854 15.771 155 HG2 GLN 17 1HG GLN 17 -13.407 3.316 14.601 156 HG3 GLN 17 2HG GLN 17 -14.079 1.787 14.018 157 HE21 GLN 17 2HE2 GLN 17 -15.991 1.676 15.007 158 HE22 GLN 17 1HE2 GLN 17 -16.213 1.702 16.741 159 H ALA 18 H ALA 18 -9.447 1.197 13.734 160 HA ALA 18 HA ALA 18 -8.396 -0.529 15.694 161 HB1 ALA 18 3HB ALA 18 -6.843 -1.276 14.008 162 HB2 ALA 18 1HB ALA 18 -8.386 -0.896 13.204 163 HB3 ALA 18 2HB ALA 18 -7.016 0.236 13.093 164 H LEU 19 H LEU 19 -6.888 2.521 14.404 165 HA LEU 19 HA LEU 19 -4.457 2.206 15.929 166 HB2 LEU 19 1HB LEU 19 -5.851 4.511 14.584 167 HB3 LEU 19 2HB LEU 19 -4.656 4.875 15.813 168 HG LEU 19 HG LEU 19 -3.044 3.376 14.421 169 HD11 LEU 19 1HD1 LEU 19 -4.535 2.464 12.757 170 HD12 LEU 19 2HD1 LEU 19 -3.471 3.641 11.941 171 HD13 LEU 19 3HD1 LEU 19 -5.145 4.083 12.340 172 HD21 LEU 19 3HD2 LEU 19 -2.385 5.362 13.100 173 HD22 LEU 19 1HD2 LEU 19 -2.791 5.787 14.776 174 HD23 LEU 19 2HD2 LEU 19 -3.952 6.120 13.470 175 H LYS 20 H LYS 20 -7.615 3.715 16.621 176 HA LYS 20 HA LYS 20 -6.854 4.854 19.143 177 HB2 LYS 20 1HB LYS 20 -8.809 5.572 17.831 178 HB3 LYS 20 2HB LYS 20 -9.576 4.004 18.075 179 HG2 LYS 20 1HG LYS 20 -8.811 5.391 20.578 180 HG3 LYS 20 2HG LYS 20 -10.029 6.232 19.600 181 HD2 LYS 20 1HD LYS 20 -11.415 4.186 19.537 182 HD3 LYS 20 2HD LYS 20 -10.201 3.330 20.507 183 HE2 LYS 20 1HE LYS 20 -10.529 4.951 22.349 184 HE3 LYS 20 2HE LYS 20 -11.770 5.782 21.383 185 HZ1 LYS 20 3HZ LYS 20 -11.903 2.961 22.298 186 HZ2 LYS 20 1HZ LYS 20 -13.051 3.716 21.385 187 HZ3 LYS 20 2HZ LYS 20 -12.765 4.216 22.932 188 H THR 21 H THR 21 -8.373 1.715 18.312 189 HA THR 21 HA THR 21 -8.864 0.984 21.058 190 HB THR 21 HB THR 21 -9.109 -1.359 20.101 191 HG1 THR 21 HG1 THR 21 -8.760 -0.046 17.603 192 HG21 THR 21 1HG2 THR 21 -10.962 -0.618 18.403 193 HG22 THR 21 2HG2 THR 21 -10.617 1.014 18.985 194 HG23 THR 21 3HG2 THR 21 -11.156 -0.238 20.129 195 H ARG 22 H ARG 22 -6.007 0.871 19.062 196 HA ARG 22 HA ARG 22 -4.701 -1.210 20.561 197 HB2 ARG 22 1HB ARG 22 -4.145 -0.332 18.226 198 HB3 ARG 22 2HB ARG 22 -3.380 1.047 19.018 199 HG2 ARG 22 1HG ARG 22 -1.711 -0.589 18.414 200 HG3 ARG 22 2HG ARG 22 -1.825 -0.521 20.175 201 HD2 ARG 22 1HD ARG 22 -3.594 -2.506 18.857 202 HD3 ARG 22 2HD ARG 22 -1.853 -2.820 18.724 203 HE ARG 22 HE ARG 22 -2.281 -2.188 21.404 204 HH11 ARG 22 1HH1 ARG 22 -3.460 -4.693 19.213 205 HH12 ARG 22 2HH1 ARG 22 -3.555 -5.880 20.492 206 HH21 ARG 22 1HH2 ARG 22 -2.460 -3.767 22.968 207 HH22 ARG 22 2HH2 ARG 22 -2.984 -5.377 22.542 208 H GLY 23 H GLY 23 -5.363 2.120 21.199 209 HA2 GLY 23 1HA GLY 23 -5.116 3.194 23.227 210 HA3 GLY 23 2HA GLY 23 -4.217 1.804 23.844 211 H VAL 24 H VAL 24 -2.919 3.010 20.905 212 HA VAL 24 HA VAL 24 -0.936 4.617 22.456 213 HB VAL 24 HB VAL 24 0.075 2.449 21.956 214 HG11 VAL 24 1HG1 VAL 24 -1.252 1.719 20.065 215 HG12 VAL 24 2HG1 VAL 24 -0.587 3.000 19.037 216 HG13 VAL 24 3HG1 VAL 24 0.461 1.690 19.625 217 HG21 VAL 24 3HG2 VAL 24 1.210 4.617 20.140 218 HG22 VAL 24 1HG2 VAL 24 1.523 4.439 21.884 219 HG23 VAL 24 2HG2 VAL 24 2.080 3.193 20.751 220 H LYS 25 H LYS 25 -0.475 6.568 21.692 221 HA LYS 25 HA LYS 25 -2.172 7.526 19.495 222 HB2 LYS 25 1HB LYS 25 -0.196 8.968 21.309 223 HB3 LYS 25 2HB LYS 25 -1.279 9.752 20.150 224 HG2 LYS 25 1HG LYS 25 -3.235 8.884 21.395 225 HG3 LYS 25 2HG LYS 25 -2.143 8.116 22.566 226 HD2 LYS 25 1HD LYS 25 -1.194 10.345 23.118 227 HD3 LYS 25 2HD LYS 25 -2.347 11.097 21.995 228 HE2 LYS 25 1HE LYS 25 -4.231 10.191 23.328 229 HE3 LYS 25 2HE LYS 25 -3.077 9.435 24.445 230 HZ1 LYS 25 3HZ LYS 25 -3.339 12.353 23.973 231 HZ2 LYS 25 1HZ LYS 25 -2.264 11.649 25.007 232 HZ3 LYS 25 2HZ LYS 25 -3.883 11.544 25.303 233 H VAL 26 H VAL 26 -1.188 6.394 17.738 234 HA VAL 26 HA VAL 26 1.503 7.426 16.942 235 HB VAL 26 HB VAL 26 -0.182 5.203 15.662 236 HG11 VAL 26 1HG1 VAL 26 1.397 6.223 14.071 237 HG12 VAL 26 2HG1 VAL 26 2.729 6.043 15.237 238 HG13 VAL 26 3HG1 VAL 26 1.960 4.608 14.522 239 HG21 VAL 26 3HG2 VAL 26 0.523 4.516 17.897 240 HG22 VAL 26 1HG2 VAL 26 1.473 3.646 16.683 241 HG23 VAL 26 2HG2 VAL 26 2.196 5.014 17.562 242 H LYS 27 H LYS 27 1.646 8.857 15.234 243 HA LYS 27 HA LYS 27 -0.755 10.193 14.339 244 HB2 LYS 27 1HB LYS 27 1.544 11.225 14.448 245 HB3 LYS 27 2HB LYS 27 2.041 10.152 13.147 246 HG2 LYS 27 1HG LYS 27 1.648 12.281 12.180 247 HG3 LYS 27 2HG LYS 27 0.306 11.247 11.668 248 HD2 LYS 27 1HD LYS 27 -1.135 12.238 13.423 249 HD3 LYS 27 2HD LYS 27 0.220 13.239 13.980 250 HE2 LYS 27 1HE LYS 27 -1.037 13.358 11.203 251 HE3 LYS 27 2HE LYS 27 -1.364 14.495 12.527 252 HZ1 LYS 27 3HZ LYS 27 0.967 15.140 12.481 253 HZ2 LYS 27 1HZ LYS 27 0.300 15.357 10.987 254 HZ3 LYS 27 2HZ LYS 27 1.294 14.070 11.270 255 H PHE 28 H PHE 28 -1.993 9.754 12.537 256 HA PHE 28 HA PHE 28 -2.134 7.175 11.553 257 HB2 PHE 28 1HB PHE 28 -3.426 9.667 11.115 258 HB3 PHE 28 2HB PHE 28 -3.045 9.002 9.523 259 HD1 PHE 28 HD2 PHE 28 -3.868 6.726 8.895 260 HD2 PHE 28 HD1 PHE 28 -5.140 8.706 12.491 261 HE1 PHE 28 HE2 PHE 28 -5.788 5.171 9.061 262 HE2 PHE 28 HE1 PHE 28 -7.088 7.166 12.653 263 HZ PHE 28 HZ PHE 28 -7.416 5.406 10.926 264 H ALA 29 H ALA 29 -0.513 9.924 9.903 265 HA ALA 29 HA ALA 29 0.166 8.502 7.557 266 HB1 ALA 29 3HB ALA 29 1.659 10.801 8.909 267 HB2 ALA 29 1HB ALA 29 1.845 10.280 7.219 268 HB3 ALA 29 2HB ALA 29 0.299 10.967 7.765 269 H ASP 30 H ASP 30 1.877 8.772 10.685 270 HA ASP 30 HA ASP 30 4.242 7.435 9.715 271 HB2 ASP 30 1HB ASP 30 3.216 8.085 12.488 272 HB3 ASP 30 2HB ASP 30 4.767 7.288 12.180 273 H LEU 31 H LEU 31 1.160 6.360 11.080 274 HA LEU 31 HA LEU 31 2.143 3.715 11.705 275 HB2 LEU 31 1HB LEU 31 0.056 4.675 12.655 276 HB3 LEU 31 2HB LEU 31 -0.685 4.621 11.070 277 HG LEU 31 HG LEU 31 -1.240 2.820 12.856 278 HD11 LEU 31 1HD1 LEU 31 -2.055 2.813 10.519 279 HD12 LEU 31 2HD1 LEU 31 -1.762 1.187 11.151 280 HD13 LEU 31 3HD1 LEU 31 -0.600 1.921 10.027 281 HD21 LEU 31 3HD2 LEU 31 1.117 2.152 13.308 282 HD22 LEU 31 1HD2 LEU 31 1.212 1.495 11.653 283 HD23 LEU 31 2HD2 LEU 31 0.070 0.805 12.824 284 H LEU 32 H LEU 32 0.223 5.066 9.001 285 HA LEU 32 HA LEU 32 0.392 2.685 7.426 286 HB2 LEU 32 1HB LEU 32 -0.204 5.563 6.789 287 HB3 LEU 32 2HB LEU 32 0.022 4.408 5.495 288 HG LEU 32 HG LEU 32 -2.298 4.616 5.809 289 HD11 LEU 32 1HD1 LEU 32 -1.664 2.053 7.302 290 HD12 LEU 32 2HD1 LEU 32 -1.452 2.254 5.545 291 HD13 LEU 32 3HD1 LEU 32 -3.063 2.412 6.268 292 HD21 LEU 32 3HD2 LEU 32 -3.442 4.332 7.905 293 HD22 LEU 32 1HD2 LEU 32 -2.225 5.613 8.023 294 HD23 LEU 32 2HD2 LEU 32 -1.896 4.020 8.738 295 H LYS 33 H LYS 33 2.749 5.213 7.894 296 HA LYS 33 HA LYS 33 4.353 4.823 5.581 297 HB2 LYS 33 1HB LYS 33 4.742 6.534 7.343 298 HB3 LYS 33 2HB LYS 33 5.241 5.261 8.457 299 HG2 LYS 33 1HG LYS 33 7.149 4.721 7.018 300 HG3 LYS 33 2HG LYS 33 6.649 6.002 5.885 301 HD2 LYS 33 1HD LYS 33 6.864 7.669 7.703 302 HD3 LYS 33 2HD LYS 33 7.391 6.384 8.810 303 HE2 LYS 33 1HE LYS 33 9.340 5.931 7.368 304 HE3 LYS 33 2HE LYS 33 8.809 7.203 6.245 305 HZ1 LYS 33 3HZ LYS 33 10.477 8.026 7.789 306 HZ2 LYS 33 1HZ LYS 33 9.540 7.627 9.088 307 HZ3 LYS 33 2HZ LYS 33 9.045 8.804 8.047 308 H PHE 34 H PHE 34 4.181 2.952 8.624 309 HA PHE 34 HA PHE 34 6.258 1.108 7.742 310 HB2 PHE 34 1HB PHE 34 4.420 1.248 10.115 311 HB3 PHE 34 2HB PHE 34 5.388 -0.194 9.793 312 HD1 PHE 34 HD1 PHE 34 5.569 3.431 10.544 313 HD2 PHE 34 HD2 PHE 34 7.783 -0.221 10.137 314 HE1 PHE 34 HE1 PHE 34 7.548 4.548 11.537 315 HE2 PHE 34 HE2 PHE 34 9.788 0.888 11.130 316 HZ PHE 34 HZ PHE 34 9.673 3.284 11.813 317 H PHE 35 H PHE 35 2.787 1.298 7.359 318 HA PHE 35 HA PHE 35 2.416 -1.505 6.672 319 HB2 PHE 35 1HB PHE 35 0.831 1.019 6.169 320 HB3 PHE 35 2HB PHE 35 0.411 -0.484 5.364 321 HD1 PHE 35 HD1 PHE 35 1.644 -0.178 8.927 322 HD2 PHE 35 HD2 PHE 35 -1.691 -0.940 6.308 323 HE1 PHE 35 HE1 PHE 35 0.300 -0.945 10.859 324 HE2 PHE 35 HE2 PHE 35 -3.039 -1.707 8.256 325 HZ PHE 35 HZ PHE 35 -2.043 -1.717 10.530 326 H ASP 36 H ASP 36 3.860 1.253 5.055 327 HA ASP 36 HA ASP 36 3.721 -0.056 2.408 328 HB2 ASP 36 1HB ASP 36 4.000 2.552 3.216 329 HB3 ASP 36 2HB ASP 36 5.675 2.124 2.836 330 H PHE 37 H PHE 37 5.909 0.251 5.155 331 HA PHE 37 HA PHE 37 8.286 -0.623 3.857 332 HB2 PHE 37 1HB PHE 37 8.133 0.535 6.061 333 HB3 PHE 37 2HB PHE 37 7.516 -0.960 6.773 334 HD1 PHE 37 HD1 PHE 37 10.439 0.308 4.763 335 HD2 PHE 37 HD2 PHE 37 9.027 -2.470 7.732 336 HE1 PHE 37 HE1 PHE 37 12.777 -0.463 5.146 337 HE2 PHE 37 HE2 PHE 37 11.363 -3.247 8.122 338 HZ PHE 37 HZ PHE 37 13.243 -2.243 6.828 339 H VAL 38 H VAL 38 5.594 -2.513 5.255 340 HA VAL 38 HA VAL 38 7.043 -5.008 5.218 341 HB VAL 38 HB VAL 38 5.150 -5.432 6.433 342 HG11 VAL 38 1HG1 VAL 38 4.199 -3.227 6.287 343 HG12 VAL 38 2HG1 VAL 38 3.592 -3.564 4.645 344 HG13 VAL 38 3HG1 VAL 38 2.929 -4.428 6.041 345 HG21 VAL 38 3HG2 VAL 38 5.031 -7.016 4.460 346 HG22 VAL 38 1HG2 VAL 38 3.471 -6.721 5.240 347 HG23 VAL 38 2HG2 VAL 38 3.849 -5.918 3.706 348 H LYS 39 H LYS 39 5.144 -3.250 2.763 349 HA LYS 39 HA LYS 39 5.267 -5.320 0.759 350 HB2 LYS 39 1HB LYS 39 3.677 -3.531 0.558 351 HB3 LYS 39 2HB LYS 39 4.917 -2.308 0.676 352 HG2 LYS 39 1HG LYS 39 5.534 -3.900 -1.625 353 HG3 LYS 39 2HG LYS 39 3.809 -3.526 -1.667 354 HD2 LYS 39 1HD LYS 39 4.974 -1.757 -2.833 355 HD3 LYS 39 2HD LYS 39 4.382 -1.089 -1.299 356 HE2 LYS 39 1HE LYS 39 6.631 -1.370 -0.306 357 HE3 LYS 39 2HE LYS 39 7.221 -2.088 -1.814 358 HZ1 LYS 39 3HZ LYS 39 6.249 0.678 -1.481 359 HZ2 LYS 39 1HZ LYS 39 6.815 0.012 -2.894 360 HZ3 LYS 39 2HZ LYS 39 7.831 0.209 -1.610 361 H ASP 40 H ASP 40 7.419 -2.661 1.713 362 HA ASP 40 HA ASP 40 9.159 -2.761 -0.515 363 HB2 ASP 40 1HB ASP 40 8.918 -1.075 1.450 364 HB3 ASP 40 2HB ASP 40 10.076 -2.111 2.294 365 H THR 41 H THR 41 9.515 -4.367 2.698 366 HA THR 41 HA THR 41 11.862 -5.833 1.797 367 HB THR 41 HB THR 41 10.134 -6.561 4.190 368 HG1 THR 41 HG1 THR 41 11.743 -4.303 3.713 369 HG21 THR 41 1HG2 THR 41 12.320 -7.098 5.189 370 HG22 THR 41 2HG2 THR 41 13.142 -6.569 3.708 371 HG23 THR 41 3HG2 THR 41 12.091 -8.002 3.680 372 H CYS 42 H CYS 42 8.413 -6.377 1.704 373 HA CYS 42 HA CYS 42 8.907 -9.126 0.628 374 HB2 CYS 42 1HB CYS 42 6.557 -8.178 2.296 375 HB3 CYS 42 2HB CYS 42 6.728 -9.777 1.574 376 HG CYS 42 HG CYS 42 8.731 -8.339 3.744 377 HA PRO 43 HA PRO 43 6.599 -6.582 -2.476 378 HB2 PRO 43 1HB PRO 43 7.926 -7.382 -4.712 379 HB3 PRO 43 2HB PRO 43 8.591 -6.134 -3.611 380 HG2 PRO 43 1HG PRO 43 9.197 -9.086 -3.698 381 HG3 PRO 43 2HG PRO 43 10.338 -7.702 -3.710 382 HD2 PRO 43 1HD PRO 43 9.724 -9.037 -1.426 383 HD3 PRO 43 2HD PRO 43 10.000 -7.254 -1.431 384 H TRP 44 H TRP 44 7.191 -9.877 -1.866 385 HA TRP 44 HA TRP 44 5.211 -10.883 -3.790 386 HB2 TRP 44 1HB TRP 44 5.739 -13.025 -2.362 387 HB3 TRP 44 2HB TRP 44 6.887 -12.427 -3.572 388 HD1 TRP 44 HD1 TRP 44 6.298 -11.938 0.220 389 HE1 TRP 44 HE1 TRP 44 8.537 -11.723 1.431 390 HE3 TRP 44 HE3 TRP 44 9.301 -12.144 -3.891 391 HZ2 TRP 44 HZ2 TRP 44 11.287 -11.612 0.689 392 HZ3 TRP 44 HZ3 TRP 44 11.779 -11.953 -3.582 393 HH2 TRP 44 HH2 TRP 44 12.750 -11.689 -1.298 394 H PHE 45 H PHE 45 5.136 -9.441 -0.676 395 HA PHE 45 HA PHE 45 2.994 -11.056 0.412 396 HB2 PHE 45 1HB PHE 45 4.493 -9.623 1.777 397 HB3 PHE 45 2HB PHE 45 3.720 -8.190 1.097 398 HD1 PHE 45 HD1 PHE 45 3.209 -11.197 3.223 399 HD2 PHE 45 HD2 PHE 45 1.552 -7.461 1.877 400 HE1 PHE 45 HE1 PHE 45 1.477 -11.331 5.004 401 HE2 PHE 45 HE2 PHE 45 -0.195 -7.594 3.647 402 HZ PHE 45 HZ PHE 45 -0.230 -9.525 5.223 403 HA PRO 46 HA PRO 46 0.011 -7.953 -1.323 404 HB2 PRO 46 1HB PRO 46 0.599 -6.379 -3.471 405 HB3 PRO 46 2HB PRO 46 0.850 -5.825 -1.784 406 HG2 PRO 46 1HG PRO 46 2.843 -7.032 -3.683 407 HG3 PRO 46 2HG PRO 46 2.962 -5.513 -2.739 408 HD2 PRO 46 1HD PRO 46 4.078 -7.790 -1.852 409 HD3 PRO 46 2HD PRO 46 3.272 -6.662 -0.715 410 H GLN 47 H GLN 47 2.469 -9.515 -3.292 411 HA GLN 47 HA GLN 47 0.781 -10.121 -5.535 412 HB2 GLN 47 1HB GLN 47 3.319 -10.121 -5.437 413 HB3 GLN 47 2HB GLN 47 3.215 -11.676 -4.606 414 HG2 GLN 47 1HG GLN 47 2.142 -12.692 -6.537 415 HG3 GLN 47 2HG GLN 47 2.045 -11.117 -7.344 416 HE21 GLN 47 2HE2 GLN 47 3.798 -10.292 -8.392 417 HE22 GLN 47 1HE2 GLN 47 5.306 -11.155 -8.571 418 H GLU 48 H GLU 48 1.503 -11.875 -2.464 419 HA GLU 48 HA GLU 48 -0.094 -14.161 -3.358 420 HB2 GLU 48 1HB GLU 48 0.267 -15.128 -1.214 421 HB3 GLU 48 2HB GLU 48 1.790 -14.453 -1.785 422 HG2 GLU 48 1HG GLU 48 1.488 -12.518 -0.269 423 HG3 GLU 48 2HG GLU 48 -0.022 -13.225 0.327 424 H GLY 49 H GLY 49 -0.706 -11.091 -1.930 425 HA2 GLY 49 1HA GLY 49 -2.670 -10.025 -1.475 426 HA3 GLY 49 2HA GLY 49 -3.406 -11.208 -2.546 427 H THR 50 H THR 50 -1.990 -12.413 0.405 428 HA THR 50 HA THR 50 -4.742 -12.649 1.546 429 HB THR 50 HB THR 50 -2.660 -14.855 1.465 430 HG1 THR 50 HG1 THR 50 -3.597 -14.337 -0.613 431 HG21 THR 50 1HG2 THR 50 -4.665 -16.261 2.091 432 HG22 THR 50 2HG2 THR 50 -5.591 -14.761 2.310 433 HG23 THR 50 3HG2 THR 50 -4.188 -15.102 3.355 434 H ILE 51 H ILE 51 -4.885 -12.299 3.694 435 HA ILE 51 HA ILE 51 -2.293 -11.733 5.095 436 HB ILE 51 HB ILE 51 -4.913 -10.172 5.180 437 HG12 ILE 51 1HG1 ILE 51 -2.185 -9.381 4.085 438 HG13 ILE 51 2HG1 ILE 51 -3.520 -9.935 3.085 439 HG21 ILE 51 1HG2 ILE 51 -3.776 -8.574 6.634 440 HG22 ILE 51 2HG2 ILE 51 -3.658 -10.174 7.381 441 HG23 ILE 51 3HG2 ILE 51 -2.247 -9.489 6.535 442 HD11 ILE 51 3HD1 ILE 51 -3.448 -7.599 2.961 443 HD12 ILE 51 1HD1 ILE 51 -4.875 -8.047 3.915 444 HD13 ILE 51 2HD1 ILE 51 -3.412 -7.428 4.721 445 H ASP 52 H ASP 52 -2.069 -13.377 6.420 446 HA ASP 52 HA ASP 52 -4.033 -13.611 8.610 447 HB2 ASP 52 1HB ASP 52 -4.635 -15.505 7.109 448 HB3 ASP 52 2HB ASP 52 -2.939 -16.022 7.116 449 H ILE 53 H ILE 53 -2.923 -14.759 10.454 450 HA ILE 53 HA ILE 53 -0.412 -13.510 10.835 451 HB ILE 53 HB ILE 53 -2.085 -14.126 12.593 452 HG12 ILE 53 1HG1 ILE 53 -0.395 -14.735 14.328 453 HG13 ILE 53 2HG1 ILE 53 0.760 -15.040 13.039 454 HG21 ILE 53 1HG2 ILE 53 -2.546 -16.461 11.886 455 HG22 ILE 53 2HG2 ILE 53 -0.906 -16.926 12.408 456 HG23 ILE 53 3HG2 ILE 53 -2.092 -16.348 13.600 457 HD11 ILE 53 3HD1 ILE 53 0.877 -12.747 12.441 458 HD12 ILE 53 1HD1 ILE 53 -0.568 -12.352 13.405 459 HD13 ILE 53 2HD1 ILE 53 0.948 -12.807 14.212 460 H LYS 54 H LYS 54 -1.245 -16.703 9.603 461 HA LYS 54 HA LYS 54 1.329 -17.916 9.925 462 HB2 LYS 54 1HB LYS 54 -0.784 -18.248 7.768 463 HB3 LYS 54 2HB LYS 54 0.621 -19.308 7.947 464 HG2 LYS 54 1HG LYS 54 -0.153 -20.088 10.104 465 HG3 LYS 54 2HG LYS 54 -1.445 -18.875 10.130 466 HD2 LYS 54 1HD LYS 54 -2.418 -19.920 8.079 467 HD3 LYS 54 2HD LYS 54 -1.208 -21.218 8.211 468 HE2 LYS 54 1HE LYS 54 -2.076 -21.801 10.447 469 HE3 LYS 54 2HE LYS 54 -3.237 -20.459 10.357 470 HZ1 LYS 54 3HZ LYS 54 -4.272 -21.548 8.467 471 HZ2 LYS 54 1HZ LYS 54 -4.268 -22.562 9.767 472 HZ3 LYS 54 2HZ LYS 54 -3.197 -22.799 8.535 473 H ARG 55 H ARG 55 0.054 -15.686 7.445 474 HA ARG 55 HA ARG 55 2.579 -15.881 5.917 475 HB2 ARG 55 1HB ARG 55 0.103 -14.172 5.506 476 HB3 ARG 55 2HB ARG 55 1.489 -14.249 4.408 477 HG2 ARG 55 1HG ARG 55 1.063 -16.627 3.966 478 HG3 ARG 55 2HG ARG 55 -0.253 -16.635 5.157 479 HD2 ARG 55 1HD ARG 55 -1.348 -14.826 3.791 480 HD3 ARG 55 2HD ARG 55 -0.163 -15.156 2.525 481 HE ARG 55 HE ARG 55 -2.317 -16.967 3.496 482 HH11 ARG 55 1HH1 ARG 55 0.170 -16.339 1.033 483 HH12 ARG 55 2HH1 ARG 55 -0.536 -17.511 -0.054 484 HH21 ARG 55 1HH2 ARG 55 -3.087 -18.450 2.052 485 HH22 ARG 55 2HH2 ARG 55 -2.305 -18.685 0.515 486 H TRP 56 H TRP 56 0.900 -13.632 8.100 487 HA TRP 56 HA TRP 56 2.650 -11.423 7.758 488 HB2 TRP 56 1HB TRP 56 0.430 -11.437 8.917 489 HB3 TRP 56 2HB TRP 56 1.198 -12.250 10.286 490 HD1 TRP 56 HD1 TRP 56 2.135 -10.668 12.096 491 HE1 TRP 56 HE1 TRP 56 2.765 -8.207 12.311 492 HE3 TRP 56 HE3 TRP 56 1.393 -9.342 7.217 493 HZ2 TRP 56 HZ2 TRP 56 2.967 -5.962 10.575 494 HZ3 TRP 56 HZ3 TRP 56 1.827 -6.979 6.543 495 HH2 TRP 56 HH2 TRP 56 2.621 -5.308 8.218 496 H ARG 57 H ARG 57 3.017 -14.373 9.697 497 HA ARG 57 HA ARG 57 5.182 -13.461 11.319 498 HB2 ARG 57 1HB ARG 57 4.270 -16.156 10.375 499 HB3 ARG 57 2HB ARG 57 5.771 -15.980 11.307 500 HG2 ARG 57 1HG ARG 57 4.666 -15.241 13.224 501 HG3 ARG 57 2HG ARG 57 3.247 -14.688 12.320 502 HD2 ARG 57 1HD ARG 57 2.618 -17.009 11.852 503 HD3 ARG 57 2HD ARG 57 4.024 -17.574 12.778 504 HE ARG 57 HE ARG 57 2.478 -15.794 14.391 505 HH11 ARG 57 1HH1 ARG 57 2.200 -19.050 13.075 506 HH12 ARG 57 2HH1 ARG 57 1.039 -19.536 14.283 507 HH21 ARG 57 1HH2 ARG 57 0.958 -16.474 15.883 508 HH22 ARG 57 2HH2 ARG 57 0.365 -18.106 15.848 509 H ARG 58 H ARG 58 5.121 -14.895 8.083 510 HA ARG 58 HA ARG 58 7.909 -15.079 7.628 511 HB2 ARG 58 1HB ARG 58 5.799 -14.233 5.619 512 HB3 ARG 58 2HB ARG 58 7.389 -14.876 5.243 513 HG2 ARG 58 1HG ARG 58 6.793 -17.052 6.039 514 HG3 ARG 58 2HG ARG 58 5.262 -16.447 6.724 515 HD2 ARG 58 1HD ARG 58 4.495 -15.785 4.502 516 HD3 ARG 58 2HD ARG 58 6.024 -16.327 3.789 517 HE ARG 58 HE ARG 58 5.011 -18.549 5.112 518 HH11 ARG 58 1HH1 ARG 58 3.852 -16.438 2.518 519 HH12 ARG 58 2HH1 ARG 58 2.970 -17.715 1.738 520 HH21 ARG 58 1HH2 ARG 58 3.865 -20.142 4.057 521 HH22 ARG 58 2HH2 ARG 58 2.977 -19.783 2.601 522 H VAL 59 H VAL 59 5.812 -12.220 7.561 523 HA VAL 59 HA VAL 59 7.638 -10.549 6.094 524 HB VAL 59 HB VAL 59 5.522 -9.747 8.148 525 HG11 VAL 59 1HG1 VAL 59 5.497 -7.601 7.011 526 HG12 VAL 59 2HG1 VAL 59 7.123 -7.952 7.613 527 HG13 VAL 59 3HG1 VAL 59 6.765 -8.150 5.886 528 HG21 VAL 59 3HG2 VAL 59 5.328 -10.131 5.142 529 HG22 VAL 59 1HG2 VAL 59 4.520 -11.098 6.398 530 HG23 VAL 59 2HG2 VAL 59 4.066 -9.402 6.165 531 H GLY 60 H GLY 60 7.139 -11.315 9.526 532 HA2 GLY 60 1HA GLY 60 9.057 -9.396 10.495 533 HA3 GLY 60 2HA GLY 60 8.397 -10.792 11.369 534 H ASP 61 H ASP 61 9.158 -12.804 9.499 535 HA ASP 61 HA ASP 61 11.856 -13.310 10.307 536 HB2 ASP 61 1HB ASP 61 10.277 -14.519 7.997 537 HB3 ASP 61 2HB ASP 61 11.752 -15.190 8.702 538 H CYS 62 H CYS 62 10.374 -11.985 7.346 539 HA CYS 62 HA CYS 62 12.765 -11.768 5.797 540 HB2 CYS 62 1HB CYS 62 10.056 -11.207 5.456 541 HB3 CYS 62 2HB CYS 62 10.807 -9.612 5.403 542 HG CYS 62 HG CYS 62 10.610 -10.115 2.999 543 H PHE 63 H PHE 63 11.168 -9.470 8.075 544 HA PHE 63 HA PHE 63 13.038 -7.335 7.633 545 HB2 PHE 63 1HB PHE 63 11.520 -8.070 10.169 546 HB3 PHE 63 2HB PHE 63 12.409 -6.571 9.929 547 HD1 PHE 63 HD2 PHE 63 11.526 -6.055 6.984 548 HD2 PHE 63 HD1 PHE 63 9.368 -7.125 10.555 549 HE1 PHE 63 HE2 PHE 63 9.493 -4.933 6.093 550 HE2 PHE 63 HE1 PHE 63 7.342 -5.992 9.664 551 HZ PHE 63 HZ PHE 63 7.403 -4.891 7.439 552 H GLN 64 H GLN 64 13.067 -10.212 9.748 553 HA GLN 64 HA GLN 64 15.378 -9.389 11.238 554 HB2 GLN 64 1HB GLN 64 13.792 -11.143 11.982 555 HB3 GLN 64 2HB GLN 64 14.339 -12.184 10.665 556 HG2 GLN 64 1HG GLN 64 15.406 -12.840 12.757 557 HG3 GLN 64 2HG GLN 64 16.609 -12.234 11.608 558 HE21 GLN 64 2HE2 GLN 64 18.056 -10.889 12.414 559 HE22 GLN 64 1HE2 GLN 64 17.833 -9.871 13.819 560 H ASP 65 H ASP 65 14.973 -11.323 8.243 561 HA ASP 65 HA ASP 65 17.729 -12.088 8.098 562 HB2 ASP 65 1HB ASP 65 15.477 -12.754 6.738 563 HB3 ASP 65 2HB ASP 65 16.204 -11.649 5.564 564 H TYR 66 H TYR 66 15.865 -9.384 6.706 565 HA TYR 66 HA TYR 66 18.033 -8.143 5.323 566 HB2 TYR 66 1HB TYR 66 15.439 -7.772 5.307 567 HB3 TYR 66 2HB TYR 66 15.758 -6.619 6.593 568 HD1 TYR 66 HD2 TYR 66 17.662 -4.787 5.983 569 HD2 TYR 66 HD1 TYR 66 15.451 -7.077 3.089 570 HE1 TYR 66 HE2 TYR 66 18.115 -3.053 4.249 571 HE2 TYR 66 HE1 TYR 66 15.931 -5.341 1.360 572 HH TYR 66 HH TYR 66 17.740 -2.364 2.105 573 H PHE 67 H PHE 67 16.818 -7.836 8.670 574 HA PHE 67 HA PHE 67 18.579 -5.703 9.459 575 HB2 PHE 67 1HB PHE 67 16.519 -6.300 10.660 576 HB3 PHE 67 2HB PHE 67 17.193 -7.877 11.072 577 HD1 PHE 67 HD2 PHE 67 19.052 -8.074 12.726 578 HD2 PHE 67 HD1 PHE 67 17.115 -4.322 11.930 579 HE1 PHE 67 HE2 PHE 67 19.989 -7.146 14.837 580 HE2 PHE 67 HE1 PHE 67 18.016 -3.396 14.044 581 HZ PHE 67 HZ PHE 67 19.472 -4.799 15.502 582 H ASN 68 H ASN 68 18.928 -9.307 9.735 583 HA ASN 68 HA ASN 68 21.090 -9.127 11.551 584 HB2 ASN 68 1HB ASN 68 21.151 -11.364 11.475 585 HB3 ASN 68 2HB ASN 68 19.643 -11.195 10.583 586 HD21 ASN 68 2HD2 ASN 68 19.586 -11.790 8.439 587 HD22 ASN 68 1HD2 ASN 68 20.928 -12.560 7.639 588 H THR 69 H THR 69 21.078 -8.879 8.083 589 HA THR 69 HA THR 69 23.836 -9.238 7.584 590 HB THR 69 HB THR 69 21.940 -7.337 6.115 591 HG1 THR 69 HG1 THR 69 20.924 -9.309 6.153 592 HG21 THR 69 1HG2 THR 69 23.288 -7.979 4.142 593 HG22 THR 69 2HG2 THR 69 24.343 -8.964 5.180 594 HG23 THR 69 3HG2 THR 69 24.300 -7.196 5.376 595 H PHE 70 H PHE 70 22.074 -6.260 8.571 596 HA PHE 70 HA PHE 70 24.742 -4.903 8.740 597 HB2 PHE 70 1HB PHE 70 22.312 -4.217 7.279 598 HB3 PHE 70 2HB PHE 70 22.921 -2.890 8.268 599 HD1 PHE 70 HD1 PHE 70 25.220 -2.002 7.912 600 HD2 PHE 70 HD2 PHE 70 23.483 -4.962 5.317 601 HE1 PHE 70 HE1 PHE 70 26.934 -1.479 6.178 602 HE2 PHE 70 HE2 PHE 70 25.192 -4.456 3.579 603 HZ PHE 70 HZ PHE 70 26.921 -2.706 4.004 604 H GLY 71 H GLY 71 22.187 -5.859 10.682 605 HA2 GLY 71 1HA GLY 71 21.727 -5.252 12.879 606 HA3 GLY 71 2HA GLY 71 23.002 -4.020 12.785 607 HA PRO 72 HA PRO 72 18.950 -1.850 12.748 608 HB2 PRO 72 1HB PRO 72 19.653 0.339 14.206 609 HB3 PRO 72 2HB PRO 72 19.294 -1.242 14.973 610 HG2 PRO 72 1HG PRO 72 21.968 -0.090 14.207 611 HG3 PRO 72 2HG PRO 72 21.435 -0.739 15.793 612 HD2 PRO 72 1HD PRO 72 22.813 -2.270 14.059 613 HD3 PRO 72 2HD PRO 72 21.457 -2.962 15.020 614 H GLU 73 H GLU 73 21.997 -1.171 11.434 615 HA GLU 73 HA GLU 73 21.584 1.479 10.444 616 HB2 GLU 73 1HB GLU 73 23.302 -0.778 9.346 617 HB3 GLU 73 2HB GLU 73 23.453 0.933 8.936 618 HG2 GLU 73 1HG GLU 73 23.937 -0.338 11.651 619 HG3 GLU 73 2HG GLU 73 25.161 0.313 10.546 620 H LYS 74 H LYS 74 20.239 -1.562 9.459 621 HA LYS 74 HA LYS 74 19.444 -0.307 6.848 622 HB2 LYS 74 1HB LYS 74 20.524 -2.938 7.462 623 HB3 LYS 74 2HB LYS 74 18.983 -3.044 6.618 624 HG2 LYS 74 1HG LYS 74 20.799 -3.069 4.993 625 HG3 LYS 74 2HG LYS 74 19.854 -1.585 4.806 626 HD2 LYS 74 1HD LYS 74 22.079 -1.205 6.670 627 HD3 LYS 74 2HD LYS 74 22.645 -1.797 5.103 628 HE2 LYS 74 1HE LYS 74 21.892 0.083 3.956 629 HE3 LYS 74 2HE LYS 74 20.658 0.462 5.179 630 HZ1 LYS 74 3HZ LYS 74 22.608 1.963 5.232 631 HZ2 LYS 74 1HZ LYS 74 23.562 0.697 5.694 632 HZ3 LYS 74 2HZ LYS 74 22.325 1.204 6.669 633 H VAL 75 H VAL 75 18.241 -2.314 9.565 634 HA VAL 75 HA VAL 75 15.517 -1.384 8.724 635 HB VAL 75 HB VAL 75 16.242 -4.018 10.105 636 HG11 VAL 75 1HG1 VAL 75 14.101 -3.188 10.932 637 HG12 VAL 75 2HG1 VAL 75 13.532 -2.912 9.267 638 HG13 VAL 75 3HG1 VAL 75 13.828 -4.566 9.854 639 HG21 VAL 75 3HG2 VAL 75 15.280 -5.064 8.058 640 HG22 VAL 75 1HG2 VAL 75 15.232 -3.451 7.305 641 HG23 VAL 75 2HG2 VAL 75 16.786 -4.175 7.782 642 HA PRO 76 HA PRO 76 16.167 0.282 12.771 643 HB2 PRO 76 1HB PRO 76 13.766 1.452 13.299 644 HB3 PRO 76 2HB PRO 76 14.910 2.142 12.122 645 HG2 PRO 76 1HG PRO 76 12.512 0.426 11.617 646 HG3 PRO 76 2HG PRO 76 12.991 1.952 10.818 647 HD2 PRO 76 1HD PRO 76 13.505 -0.496 9.733 648 HD3 PRO 76 2HD PRO 76 14.620 0.900 9.522 649 H VAL 77 H VAL 77 15.688 -0.380 14.933 650 HA VAL 77 HA VAL 77 14.431 -2.932 15.185 651 HB VAL 77 HB VAL 77 14.653 -2.588 17.641 652 HG11 VAL 77 1HG1 VAL 77 17.133 -1.780 16.052 653 HG12 VAL 77 2HG1 VAL 77 17.106 -2.509 17.673 654 HG13 VAL 77 3HG1 VAL 77 16.544 -3.444 16.272 655 HG21 VAL 77 3HG2 VAL 77 14.200 -0.145 17.722 656 HG22 VAL 77 1HG2 VAL 77 15.735 -0.556 18.507 657 HG23 VAL 77 2HG2 VAL 77 15.742 0.166 16.886 658 H THR 78 H THR 78 13.115 0.287 15.159 659 HA THR 78 HA THR 78 10.713 -0.402 16.613 660 HB THR 78 HB THR 78 11.596 1.981 16.168 661 HG1 THR 78 HG1 THR 78 9.457 2.748 16.263 662 HG21 THR 78 1HG2 THR 78 11.658 1.706 13.654 663 HG22 THR 78 2HG2 THR 78 10.827 3.150 14.257 664 HG23 THR 78 3HG2 THR 78 9.884 1.751 13.705 665 H ALA 79 H ALA 79 11.815 -1.008 13.324 666 HA ALA 79 HA ALA 79 9.204 -1.178 12.140 667 HB1 ALA 79 3HB ALA 79 11.238 -1.163 10.783 668 HB2 ALA 79 1HB ALA 79 11.755 -2.706 11.500 669 HB3 ALA 79 2HB ALA 79 10.307 -2.642 10.469 670 H PHE 80 H PHE 80 11.158 -3.446 14.068 671 HA PHE 80 HA PHE 80 9.343 -5.669 13.741 672 HB2 PHE 80 1HB PHE 80 11.340 -5.062 15.950 673 HB3 PHE 80 2HB PHE 80 10.549 -6.618 15.673 674 HD1 PHE 80 HD2 PHE 80 13.108 -4.263 14.459 675 HD2 PHE 80 HD1 PHE 80 11.210 -8.064 13.818 676 HE1 PHE 80 HE2 PHE 80 14.939 -4.893 12.917 677 HE2 PHE 80 HE1 PHE 80 13.039 -8.723 12.278 678 HZ PHE 80 HZ PHE 80 14.898 -7.138 11.806 679 H SER 81 H SER 81 9.506 -2.889 15.886 680 HA SER 81 HA SER 81 7.659 -3.946 17.868 681 HB2 SER 81 1HB SER 81 9.267 -2.112 18.371 682 HB3 SER 81 2HB SER 81 8.402 -1.060 17.232 683 HG SER 81 HG SER 81 7.347 -2.237 19.597 684 H TYR 82 H TYR 82 7.457 -1.717 15.090 685 HA TYR 82 HA TYR 82 4.644 -1.267 15.146 686 HB2 TYR 82 1HB TYR 82 6.859 -1.126 13.131 687 HB3 TYR 82 2HB TYR 82 5.212 -1.217 12.503 688 HD1 TYR 82 HD1 TYR 82 7.586 0.904 14.470 689 HD2 TYR 82 HD2 TYR 82 3.636 0.573 12.772 690 HE1 TYR 82 HE1 TYR 82 7.241 3.347 14.783 691 HE2 TYR 82 HE2 TYR 82 3.318 3.033 13.098 692 HH TYR 82 HH TYR 82 4.280 5.006 13.690 693 H TRP 83 H TRP 83 6.655 -3.767 13.554 694 HA TRP 83 HA TRP 83 4.559 -5.100 12.223 695 HB2 TRP 83 1HB TRP 83 6.921 -5.497 11.768 696 HB3 TRP 83 2HB TRP 83 7.177 -6.075 13.402 697 HD1 TRP 83 HD1 TRP 83 5.451 -7.230 10.157 698 HE1 TRP 83 HE1 TRP 83 5.177 -9.761 10.196 699 HE3 TRP 83 HE3 TRP 83 7.154 -8.036 14.907 700 HZ2 TRP 83 HZ2 TRP 83 5.667 -11.853 12.047 701 HZ3 TRP 83 HZ3 TRP 83 7.259 -10.383 15.761 702 HH2 TRP 83 HH2 TRP 83 6.515 -12.282 14.321 703 H ASN 84 H ASN 84 5.833 -5.552 15.533 704 HA ASN 84 HA ASN 84 4.324 -7.897 16.155 705 HB2 ASN 84 1HB ASN 84 5.817 -5.816 17.685 706 HB3 ASN 84 2HB ASN 84 4.600 -6.734 18.580 707 HD21 ASN 84 2HD2 ASN 84 7.746 -6.756 17.259 708 HD22 ASN 84 1HD2 ASN 84 8.146 -8.403 17.693 709 H LEU 85 H LEU 85 3.513 -4.472 16.173 710 HA LEU 85 HA LEU 85 1.237 -4.585 17.890 711 HB2 LEU 85 1HB LEU 85 2.516 -2.578 17.122 712 HB3 LEU 85 2HB LEU 85 1.817 -2.762 15.531 713 HG LEU 85 HG LEU 85 0.101 -2.211 17.937 714 HD11 LEU 85 1HD1 LEU 85 1.858 -0.497 17.834 715 HD12 LEU 85 2HD1 LEU 85 0.304 0.190 17.321 716 HD13 LEU 85 3HD1 LEU 85 1.530 -0.234 16.103 717 HD21 LEU 85 3HD2 LEU 85 -1.353 -1.139 16.175 718 HD22 LEU 85 1HD2 LEU 85 -1.152 -2.881 15.948 719 HD23 LEU 85 2HD2 LEU 85 -0.234 -1.746 14.934 720 H ILE 86 H ILE 86 1.582 -4.941 14.330 721 HA ILE 86 HA ILE 86 -1.278 -5.364 14.021 722 HB ILE 86 HB ILE 86 0.943 -5.971 12.035 723 HG12 ILE 86 1HG1 ILE 86 -0.540 -3.658 11.309 724 HG13 ILE 86 2HG1 ILE 86 -0.127 -3.451 13.012 725 HG21 ILE 86 1HG2 ILE 86 -2.076 -5.611 11.729 726 HG22 ILE 86 2HG2 ILE 86 -0.923 -5.699 10.366 727 HG23 ILE 86 3HG2 ILE 86 -1.137 -7.089 11.442 728 HD11 ILE 86 3HD1 ILE 86 1.664 -2.501 11.845 729 HD12 ILE 86 1HD1 ILE 86 2.253 -4.103 12.333 730 HD13 ILE 86 2HD1 ILE 86 1.714 -3.830 10.660 731 H LYS 87 H LYS 87 1.590 -7.355 14.532 732 HA LYS 87 HA LYS 87 0.527 -9.828 13.650 733 HB2 LYS 87 1HB LYS 87 2.666 -10.284 14.091 734 HB3 LYS 87 2HB LYS 87 2.811 -8.898 15.154 735 HG2 LYS 87 1HG LYS 87 1.948 -10.241 17.043 736 HG3 LYS 87 2HG LYS 87 1.838 -11.657 15.974 737 HD2 LYS 87 1HD LYS 87 4.235 -11.604 15.614 738 HD3 LYS 87 2HD LYS 87 4.360 -10.075 16.499 739 HE2 LYS 87 1HE LYS 87 3.443 -11.252 18.530 740 HE3 LYS 87 2HE LYS 87 3.593 -12.783 17.638 741 HZ1 LYS 87 3HZ LYS 87 5.545 -12.346 18.999 742 HZ2 LYS 87 1HZ LYS 87 5.801 -10.894 18.252 743 HZ3 LYS 87 2HZ LYS 87 5.974 -12.303 17.404 744 H GLU 88 H GLU 88 0.243 -8.312 16.940 745 HA GLU 88 HA GLU 88 -1.237 -10.627 17.874 746 HB2 GLU 88 1HB GLU 88 -1.765 -9.304 19.837 747 HB3 GLU 88 2HB GLU 88 -0.047 -9.208 19.452 748 HG2 GLU 88 1HG GLU 88 -0.303 -6.980 18.558 749 HG3 GLU 88 2HG GLU 88 -2.063 -7.070 18.728 750 H LEU 89 H LEU 89 -2.108 -7.661 16.196 751 HA LEU 89 HA LEU 89 -4.914 -7.815 16.786 752 HB2 LEU 89 1HB LEU 89 -3.299 -6.415 14.667 753 HB3 LEU 89 2HB LEU 89 -5.051 -6.358 14.679 754 HG LEU 89 HG LEU 89 -3.321 -5.426 16.992 755 HD11 LEU 89 1HD1 LEU 89 -2.963 -4.068 14.950 756 HD12 LEU 89 2HD1 LEU 89 -3.787 -3.154 16.228 757 HD13 LEU 89 3HD1 LEU 89 -4.715 -3.777 14.849 758 HD21 LEU 89 3HD2 LEU 89 -6.294 -5.068 16.401 759 HD22 LEU 89 1HD2 LEU 89 -5.414 -4.250 17.707 760 HD23 LEU 89 2HD2 LEU 89 -5.582 -6.014 17.726 761 H ILE 90 H ILE 90 -2.915 -9.111 14.112 762 HA ILE 90 HA ILE 90 -5.243 -10.190 12.727 763 HB ILE 90 HB ILE 90 -2.299 -11.025 12.508 764 HG12 ILE 90 1HG1 ILE 90 -3.916 -9.259 10.625 765 HG13 ILE 90 2HG1 ILE 90 -2.860 -8.612 11.877 766 HG21 ILE 90 1HG2 ILE 90 -3.903 -12.757 11.660 767 HG22 ILE 90 2HG2 ILE 90 -4.653 -11.527 10.613 768 HG23 ILE 90 3HG2 ILE 90 -2.975 -12.032 10.344 769 HD11 ILE 90 3HD1 ILE 90 -1.681 -8.614 9.721 770 HD12 ILE 90 1HD1 ILE 90 -0.904 -9.768 10.827 771 HD13 ILE 90 2HD1 ILE 90 -1.960 -10.356 9.521 772 H ASP 91 H ASP 91 -2.857 -11.425 15.092 773 HA ASP 91 HA ASP 91 -3.639 -14.165 14.967 774 HB2 ASP 91 1HB ASP 91 -1.566 -13.136 16.036 775 HB3 ASP 91 2HB ASP 91 -2.584 -12.725 17.423 776 H LYS 92 H LYS 92 -4.957 -11.399 16.738 777 HA LYS 92 HA LYS 92 -7.103 -13.196 17.821 778 HB2 LYS 92 1HB LYS 92 -6.061 -10.548 18.886 779 HB3 LYS 92 2HB LYS 92 -7.397 -11.474 19.580 780 HG2 LYS 92 1HG LYS 92 -4.549 -12.510 19.335 781 HG3 LYS 92 2HG LYS 92 -5.236 -11.782 20.797 782 HD2 LYS 92 1HD LYS 92 -6.866 -13.554 21.015 783 HD3 LYS 92 2HD LYS 92 -6.452 -14.217 19.427 784 HE2 LYS 92 1HE LYS 92 -4.065 -14.062 21.022 785 HE3 LYS 92 2HE LYS 92 -5.345 -14.932 21.910 786 HZ1 LYS 92 3HZ LYS 92 -5.712 -16.174 19.760 787 HZ2 LYS 92 1HZ LYS 92 -4.283 -16.509 20.522 788 HZ3 LYS 92 2HZ LYS 92 -4.296 -15.522 19.200 789 H LYS 93 H LYS 93 -7.117 -12.152 15.138 790 HA LYS 93 HA LYS 93 -8.772 -9.841 14.928 791 HB2 LYS 93 1HB LYS 93 -9.212 -10.486 12.685 792 HB3 LYS 93 2HB LYS 93 -7.543 -10.924 13.035 793 HG2 LYS 93 1HG LYS 93 -8.239 -13.304 13.315 794 HG3 LYS 93 2HG LYS 93 -9.916 -12.836 13.000 795 HD2 LYS 93 1HD LYS 93 -9.231 -13.637 10.920 796 HD3 LYS 93 2HD LYS 93 -9.056 -11.888 10.749 797 HE2 LYS 93 1HE LYS 93 -7.128 -12.987 9.778 798 HE3 LYS 93 2HE LYS 93 -6.618 -12.121 11.239 799 HZ1 LYS 93 3HZ LYS 93 -7.307 -14.985 11.359 800 HZ2 LYS 93 1HZ LYS 93 -6.365 -14.108 12.396 801 HZ3 LYS 93 2HZ LYS 93 -5.798 -14.515 10.894 802 H GLU 94 H GLU 94 -9.471 -13.060 15.932 803 HA GLU 94 HA GLU 94 -12.228 -13.270 15.319 804 HB2 GLU 94 1HB GLU 94 -12.195 -15.051 17.027 805 HB3 GLU 94 2HB GLU 94 -10.817 -15.151 15.924 806 HG2 GLU 94 1HG GLU 94 -9.441 -13.930 17.699 807 HG3 GLU 94 2HG GLU 94 -10.797 -14.183 18.798 808 H VAL 95 H VAL 95 -10.620 -11.537 17.953 809 HA VAL 95 HA VAL 95 -13.330 -10.878 19.061 810 HB VAL 95 HB VAL 95 -12.091 -10.352 21.209 811 HG11 VAL 95 1HG1 VAL 95 -11.942 -12.689 21.943 812 HG12 VAL 95 2HG1 VAL 95 -13.371 -12.433 20.922 813 HG13 VAL 95 3HG1 VAL 95 -11.939 -13.236 20.255 814 HG21 VAL 95 3HG2 VAL 95 -9.799 -10.153 20.204 815 HG22 VAL 95 1HG2 VAL 95 -9.853 -11.288 21.565 816 HG23 VAL 95 2HG2 VAL 95 -9.797 -11.910 19.901 817 H ASN 96 H ASN 96 -11.232 -9.741 16.978 818 HA ASN 96 HA ASN 96 -11.542 -6.907 17.906 819 HB2 ASN 96 1HB ASN 96 -9.168 -8.283 16.630 820 HB3 ASN 96 2HB ASN 96 -9.420 -6.542 16.492 821 HD21 ASN 96 2HD2 ASN 96 -8.281 -9.063 18.465 822 HD22 ASN 96 1HD2 ASN 96 -7.896 -8.070 19.857 823 HA PRO 97 HA PRO 97 -13.542 -7.922 13.906 824 HB2 PRO 97 1HB PRO 97 -15.850 -6.479 14.144 825 HB3 PRO 97 2HB PRO 97 -15.627 -8.088 14.904 826 HG2 PRO 97 1HG PRO 97 -15.257 -5.362 16.137 827 HG3 PRO 97 2HG PRO 97 -16.232 -6.746 16.734 828 HD2 PRO 97 1HD PRO 97 -13.744 -6.300 17.665 829 HD3 PRO 97 2HD PRO 97 -14.321 -7.975 17.348 830 H GLN 98 H GLN 98 -12.888 -4.763 15.349 831 HA GLN 98 HA GLN 98 -13.440 -3.256 12.958 832 HB2 GLN 98 1HB GLN 98 -12.410 -1.392 13.985 833 HB3 GLN 98 2HB GLN 98 -13.346 -2.224 15.220 834 HG2 GLN 98 1HG GLN 98 -10.335 -2.354 14.892 835 HG3 GLN 98 2HG GLN 98 -11.202 -1.338 16.042 836 HE21 GLN 98 2HE2 GLN 98 -12.075 -2.243 17.908 837 HE22 GLN 98 1HE2 GLN 98 -11.718 -3.884 18.392 838 H VAL 99 H VAL 99 -10.524 -4.875 14.269 839 HA VAL 99 HA VAL 99 -9.026 -3.936 11.945 840 HB VAL 99 HB VAL 99 -8.029 -4.409 14.296 841 HG11 VAL 99 1HG1 VAL 99 -8.905 -6.792 14.365 842 HG12 VAL 99 2HG1 VAL 99 -7.691 -7.206 13.142 843 HG13 VAL 99 3HG1 VAL 99 -7.194 -6.605 14.737 844 HG21 VAL 99 3HG2 VAL 99 -6.744 -3.729 12.308 845 HG22 VAL 99 1HG2 VAL 99 -5.846 -4.909 13.276 846 HG23 VAL 99 2HG2 VAL 99 -6.646 -5.425 11.778 847 H MET 100 H MET 100 -10.850 -6.846 12.876 848 HA MET 100 HA MET 100 -9.832 -8.554 10.853 849 HB2 MET 100 1HB MET 100 -11.276 -9.225 12.751 850 HB3 MET 100 2HB MET 100 -12.654 -8.447 11.974 851 HG2 MET 100 1HG MET 100 -11.129 -10.531 10.452 852 HG3 MET 100 2HG MET 100 -12.213 -11.044 11.756 853 HE1 MET 100 3HE MET 100 -12.595 -11.938 8.666 854 HE2 MET 100 1HE MET 100 -13.607 -10.858 7.679 855 HE3 MET 100 2HE MET 100 -11.940 -10.386 8.083 856 H ALA 101 H ALA 101 -12.489 -6.145 10.744 857 HA ALA 101 HA ALA 101 -13.208 -6.716 8.023 858 HB1 ALA 101 3HB ALA 101 -13.461 -4.175 9.668 859 HB2 ALA 101 1HB ALA 101 -14.282 -4.490 8.118 860 HB3 ALA 101 2HB ALA 101 -14.665 -5.481 9.546 861 H ALA 102 H ALA 102 -10.646 -4.791 9.504 862 HA ALA 102 HA ALA 102 -9.956 -3.373 7.068 863 HB1 ALA 102 3HB ALA 102 -9.452 -2.536 9.404 864 HB2 ALA 102 1HB ALA 102 -8.252 -3.837 9.561 865 HB3 ALA 102 2HB ALA 102 -8.035 -2.576 8.337 866 H VAL 103 H VAL 103 -8.999 -6.421 8.663 867 HA VAL 103 HA VAL 103 -6.727 -7.016 7.011 868 HB VAL 103 HB VAL 103 -8.758 -8.889 8.355 869 HG11 VAL 103 1HG1 VAL 103 -7.648 -10.113 6.565 870 HG12 VAL 103 2HG1 VAL 103 -6.065 -9.560 7.140 871 HG13 VAL 103 3HG1 VAL 103 -7.039 -10.660 8.136 872 HG21 VAL 103 3HG2 VAL 103 -5.945 -8.107 9.227 873 HG22 VAL 103 1HG2 VAL 103 -7.439 -7.431 9.894 874 HG23 VAL 103 2HG2 VAL 103 -7.090 -9.148 10.113 875 H ALA 104 H ALA 104 -10.214 -7.765 6.719 876 HA ALA 104 HA ALA 104 -9.999 -9.130 4.229 877 HB1 ALA 104 3HB ALA 104 -12.341 -7.561 5.397 878 HB2 ALA 104 1HB ALA 104 -12.437 -8.747 4.074 879 HB3 ALA 104 2HB ALA 104 -11.971 -9.273 5.712 880 H GLN 105 H GLN 105 -10.736 -5.677 4.973 881 HA GLN 105 HA GLN 105 -11.042 -4.885 2.256 882 HB2 GLN 105 1HB GLN 105 -10.400 -3.459 4.825 883 HB3 GLN 105 2HB GLN 105 -10.171 -2.618 3.279 884 HG2 GLN 105 1HG GLN 105 -12.563 -3.286 2.706 885 HG3 GLN 105 2HG GLN 105 -12.740 -3.724 4.412 886 HE21 GLN 105 2HE2 GLN 105 -13.068 -2.128 5.895 887 HE22 GLN 105 1HE2 GLN 105 -13.115 -0.419 5.505 888 H THR 106 H THR 106 -8.063 -5.231 4.250 889 HA THR 106 HA THR 106 -6.450 -3.842 2.310 890 HB THR 106 HB THR 106 -5.493 -5.987 4.245 891 HG1 THR 106 HG1 THR 106 -6.635 -4.356 5.350 892 HG21 THR 106 1HG2 THR 106 -3.834 -5.246 2.536 893 HG22 THR 106 2HG2 THR 106 -3.393 -4.685 4.162 894 HG23 THR 106 3HG2 THR 106 -4.129 -3.555 3.005 895 H GLU 107 H GLU 107 -7.376 -7.317 2.749 896 HA GLU 107 HA GLU 107 -5.788 -8.266 0.552 897 HB2 GLU 107 1HB GLU 107 -8.432 -9.269 1.664 898 HB3 GLU 107 2HB GLU 107 -7.543 -10.048 0.359 899 HG2 GLU 107 1HG GLU 107 -5.572 -10.205 1.947 900 HG3 GLU 107 2HG GLU 107 -6.690 -9.733 3.235 901 H GLU 108 H GLU 108 -9.083 -6.860 0.677 902 HA GLU 108 HA GLU 108 -9.767 -7.358 -2.054 903 HB2 GLU 108 1HB GLU 108 -10.548 -5.123 -0.156 904 HB3 GLU 108 2HB GLU 108 -11.284 -5.344 -1.742 905 HG2 GLU 108 1HG GLU 108 -12.283 -7.414 -1.098 906 HG3 GLU 108 2HG GLU 108 -11.324 -7.500 0.382 907 H ILE 109 H ILE 109 -8.156 -4.573 -0.485 908 HA ILE 109 HA ILE 109 -7.940 -3.029 -2.906 909 HB ILE 109 HB ILE 109 -6.362 -2.914 -0.287 910 HG12 ILE 109 1HG1 ILE 109 -8.475 -0.975 -1.272 911 HG13 ILE 109 2HG1 ILE 109 -8.938 -2.448 -0.433 912 HG21 ILE 109 1HG2 ILE 109 -5.001 -1.841 -2.049 913 HG22 ILE 109 2HG2 ILE 109 -6.407 -0.930 -2.636 914 HG23 ILE 109 3HG2 ILE 109 -5.713 -0.576 -1.034 915 HD11 ILE 109 3HD1 ILE 109 -7.290 -0.162 0.684 916 HD12 ILE 109 1HD1 ILE 109 -8.902 -0.713 1.194 917 HD13 ILE 109 2HD1 ILE 109 -7.485 -1.732 1.507 918 H LEU 110 H LEU 110 -5.732 -5.336 -1.271 919 HA LEU 110 HA LEU 110 -3.504 -4.890 -3.012 920 HB2 LEU 110 1HB LEU 110 -4.414 -7.009 -1.128 921 HB3 LEU 110 2HB LEU 110 -3.245 -7.508 -2.340 922 HG LEU 110 HG LEU 110 -1.567 -6.085 -1.509 923 HD11 LEU 110 1HD1 LEU 110 -2.019 -4.548 0.499 924 HD12 LEU 110 2HD1 LEU 110 -3.723 -4.658 0.066 925 HD13 LEU 110 3HD1 LEU 110 -2.562 -3.979 -1.089 926 HD21 LEU 110 3HD2 LEU 110 -3.130 -7.207 0.843 927 HD22 LEU 110 1HD2 LEU 110 -1.398 -6.800 0.850 928 HD23 LEU 110 2HD2 LEU 110 -1.997 -8.110 -0.187 929 H LYS 111 H LYS 111 -6.341 -7.022 -3.283 930 HA LYS 111 HA LYS 111 -5.362 -8.300 -5.715 931 HB2 LYS 111 1HB LYS 111 -7.999 -8.257 -4.276 932 HB3 LYS 111 2HB LYS 111 -7.745 -9.140 -5.794 933 HG2 LYS 111 1HG LYS 111 -6.114 -10.564 -4.824 934 HG3 LYS 111 2HG LYS 111 -5.962 -9.539 -3.384 935 HD2 LYS 111 1HD LYS 111 -8.259 -10.026 -2.780 936 HD3 LYS 111 2HD LYS 111 -8.407 -11.095 -4.193 937 HE2 LYS 111 1HE LYS 111 -7.118 -12.743 -3.242 938 HE3 LYS 111 2HE LYS 111 -6.072 -11.576 -2.425 939 HZ1 LYS 111 3HZ LYS 111 -8.774 -12.376 -1.526 940 HZ2 LYS 111 1HZ LYS 111 -7.855 -11.210 -0.812 941 HZ3 LYS 111 2HZ LYS 111 -7.343 -12.764 -0.801 942 H SER 112 H SER 112 -7.101 -5.369 -5.011 943 HA SER 112 HA SER 112 -8.242 -5.144 -7.712 944 HB2 SER 112 1HB SER 112 -9.369 -4.177 -5.705 945 HB3 SER 112 2HB SER 112 -7.988 -3.083 -5.482 946 HG SER 112 HG SER 112 -8.486 -2.491 -7.796 947 H ASN 113 H ASN 113 -5.444 -3.996 -5.876 948 HA ASN 113 HA ASN 113 -4.609 -1.997 -7.760 949 HB2 ASN 113 1HB ASN 113 -3.331 -3.493 -5.478 950 HB3 ASN 113 2HB ASN 113 -2.314 -2.560 -6.585 951 HD21 ASN 113 2HD2 ASN 113 -1.709 -0.930 -5.305 952 HD22 ASN 113 1HD2 ASN 113 -2.811 0.267 -4.659 953 H SER 114 H SER 114 -3.014 -2.062 -9.345 954 HA SER 114 HA SER 114 -2.069 -4.752 -10.205 955 HB2 SER 114 1HB SER 114 -3.403 -2.650 -11.957 956 HB3 SER 114 2HB SER 114 -2.567 -4.094 -12.563 957 HG SER 114 HG SER 114 -4.655 -4.308 -10.665 958 H GLN 115 H GLN 115 -0.189 -4.609 -11.563 959 HA GLN 115 HA GLN 115 1.971 -3.929 -11.854 960 HB2 GLN 115 1HB GLN 115 0.628 -2.326 -13.364 961 HB3 GLN 115 2HB GLN 115 0.945 -1.095 -12.139 962 HG2 GLN 115 1HG GLN 115 3.392 -1.471 -12.447 963 HG3 GLN 115 2HG GLN 115 3.032 -2.661 -13.706 964 HE21 GLN 115 2HE2 GLN 115 3.546 0.612 -12.981 965 HE22 GLN 115 1HE2 GLN 115 3.125 1.266 -14.547 966 H THR 116 H THR 116 1.111 -4.212 -9.231 967 HA THR 116 HA THR 116 1.847 -1.990 -7.581 968 HB THR 116 HB THR 116 1.750 -4.948 -6.820 969 HG1 THR 116 HG1 THR 116 -0.452 -4.583 -6.458 970 HG21 THR 116 1HG2 THR 116 2.645 -3.495 -5.049 971 HG22 THR 116 2HG2 THR 116 1.006 -4.030 -4.623 972 HG23 THR 116 3HG2 THR 116 1.265 -2.383 -5.239 973 H ASP 117 H ASP 117 3.753 -1.342 -6.958 974 HA ASP 117 HA ASP 117 5.935 -1.182 -6.465 975 HB2 ASP 117 1HB ASP 117 5.215 -3.554 -5.357 976 HB3 ASP 117 2HB ASP 117 6.534 -4.086 -6.412 977 H LEU 118 H LEU 118 8.273 -1.977 -7.076 978 HA LEU 118 HA LEU 118 8.223 -2.075 -10.073 979 HB2 LEU 118 1HB LEU 118 10.145 -0.660 -8.209 980 HB3 LEU 118 2HB LEU 118 10.281 -0.708 -9.963 981 HG LEU 118 HG LEU 118 8.001 0.594 -8.432 982 HD11 LEU 118 1HD1 LEU 118 9.048 2.708 -9.136 983 HD12 LEU 118 2HD1 LEU 118 10.385 1.806 -9.890 984 HD13 LEU 118 3HD1 LEU 118 10.152 1.753 -8.126 985 HD21 LEU 118 3HD2 LEU 118 8.686 0.578 -11.406 986 HD22 LEU 118 1HD2 LEU 118 7.457 1.615 -10.646 987 HD23 LEU 118 2HD2 LEU 118 7.248 -0.145 -10.639 988 H GLU 119 H GLU 119 9.832 -3.003 -11.205 989 HA GLU 119 HA GLU 119 11.219 -4.685 -11.773 990 HB2 GLU 119 1HB GLU 119 12.581 -2.783 -10.660 991 HB3 GLU 119 2HB GLU 119 12.913 -3.962 -9.390 992 HG2 GLU 119 1HG GLU 119 14.693 -3.821 -11.160 993 HG3 GLU 119 2HG GLU 119 14.011 -5.441 -10.975 994 H HIS 120 H HIS 120 9.103 -5.681 -10.043 995 HA HIS 120 HA HIS 120 10.319 -7.865 -8.521 996 HB2 HIS 120 1HB HIS 120 8.029 -6.850 -8.075 997 HB3 HIS 120 2HB HIS 120 7.457 -7.655 -9.539 998 HD1 HIS 120 HD1 HIS 120 6.613 -8.230 -6.404 999 HD2 HIS 120 HD2 HIS 120 9.044 -10.551 -8.874 1000 HE1 HIS 120 HE1 HIS 120 6.550 -10.592 -5.499 1001 H HIS 121 H HIS 121 11.773 -8.160 -10.502 1002 HA HIS 121 HA HIS 121 10.635 -9.363 -12.880 1003 HB2 HIS 121 1HB HIS 121 12.967 -8.081 -12.268 1004 HB3 HIS 121 2HB HIS 121 13.541 -9.742 -12.338 1005 HD1 HIS 121 HD1 HIS 121 13.097 -6.846 -14.395 1006 HD2 HIS 121 HD2 HIS 121 12.511 -10.965 -14.995 1007 HE1 HIS 121 HE1 HIS 121 13.048 -7.241 -16.919 1008 H HIS 122 H HIS 122 9.388 -11.027 -11.909 1009 HA HIS 122 HA HIS 122 10.483 -13.178 -10.378 1010 HB2 HIS 122 1HB HIS 122 8.072 -12.225 -10.706 1011 HB3 HIS 122 2HB HIS 122 7.964 -13.365 -12.048 1012 HD1 HIS 122 HD1 HIS 122 8.304 -15.996 -11.352 1013 HD2 HIS 122 HD2 HIS 122 7.605 -13.287 -8.222 1014 HE1 HIS 122 HE1 HIS 122 7.573 -17.370 -9.318 1015 H HIS 123 H HIS 123 12.335 -13.227 -12.304 1016 HA HIS 123 HA HIS 123 11.598 -15.373 -14.266 1017 HB2 HIS 123 1HB HIS 123 12.509 -13.330 -15.241 1018 HB3 HIS 123 2HB HIS 123 13.898 -13.383 -14.147 1019 HD1 HIS 123 HD1 HIS 123 15.836 -15.040 -14.686 1020 HD2 HIS 123 HD2 HIS 123 12.671 -15.129 -17.441 1021 HE1 HIS 123 HE1 HIS 123 16.653 -16.353 -16.719 1022 H HIS 124 H HIS 124 12.120 -17.379 -13.721 1023 HA HIS 124 HA HIS 124 14.786 -17.989 -12.617 1024 HB2 HIS 124 1HB HIS 124 12.913 -17.596 -10.728 1025 HB3 HIS 124 2HB HIS 124 12.411 -19.220 -11.211 1026 HD1 HIS 124 HD1 HIS 124 15.511 -17.353 -9.884 1027 HD2 HIS 124 HD2 HIS 124 13.905 -21.231 -10.030 1028 HE1 HIS 124 HE1 HIS 124 17.015 -18.840 -8.454 1029 H HIS 125 H HIS 125 14.539 -20.685 -12.395 1030 HA HIS 125 HA HIS 125 12.824 -21.685 -14.606 1031 HB2 HIS 125 1HB HIS 125 15.118 -21.442 -15.576 1032 HB3 HIS 125 2HB HIS 125 15.786 -22.319 -14.193 1033 HD1 HIS 125 HD1 HIS 125 13.910 -22.850 -17.434 1034 HD2 HIS 125 HD2 HIS 125 15.341 -25.121 -14.220 1035 HE1 HIS 125 HE1 HIS 125 13.777 -25.299 -18.139 Start of MODEL 33 1 H21 MYR 1 1H2 MYR 1 0.930 0.343 -0.940 2 H22 MYR 1 2H2 MYR 1 2.305 0.205 0.148 3 H31 MYR 1 1H3 MYR 1 -0.097 -1.735 0.093 4 H32 MYR 1 2H3 MYR 1 1.439 -2.027 -0.714 5 H41 MYR 1 1H4 MYR 1 2.558 -1.767 1.633 6 H42 MYR 1 2H4 MYR 1 0.951 -1.823 2.319 7 H51 MYR 1 1H5 MYR 1 1.665 -4.058 0.388 8 H52 MYR 1 2H5 MYR 1 2.552 -4.046 1.895 9 H61 MYR 1 1H6 MYR 1 -0.503 -3.832 1.934 10 H62 MYR 1 2H6 MYR 1 0.274 -5.395 1.707 11 H71 MYR 1 1H7 MYR 1 1.483 -5.204 3.843 12 H72 MYR 1 2H7 MYR 1 0.891 -3.562 4.101 13 H81 MYR 1 1H8 MYR 1 -1.412 -4.337 4.338 14 H82 MYR 1 2H8 MYR 1 -0.997 -5.958 3.811 15 H91 MYR 1 1H9 MYR 1 0.722 -5.679 5.983 16 H92 MYR 1 2H9 MYR 1 -0.808 -6.516 6.011 17 H101 MYR 1 1H10 MYR 1 -0.507 -3.529 6.654 18 H102 MYR 1 2H10 MYR 1 -0.386 -4.770 7.879 19 H111 MYR 1 1H11 MYR 1 -2.664 -3.625 7.716 20 H112 MYR 1 2H11 MYR 1 -2.899 -4.350 6.145 21 H121 MYR 1 1H12 MYR 1 -2.742 -6.639 7.199 22 H122 MYR 1 2H12 MYR 1 -2.499 -5.911 8.773 23 H131 MYR 1 1H13 MYR 1 -5.002 -5.357 7.080 24 H132 MYR 1 2H13 MYR 1 -4.880 -6.729 8.164 25 H141 MYR 1 1H14 MYR 1 -4.701 -3.785 9.024 26 H142 MYR 1 2H14 MYR 1 -6.050 -4.893 9.317 27 H143 MYR 1 3H14 MYR 1 -4.496 -5.171 10.118 28 H GLY 2 H GLY 2 2.117 0.851 2.227 29 HA2 GLY 2 1HA GLY 2 -0.274 1.209 3.721 30 HA3 GLY 2 2HA GLY 2 1.313 1.877 4.118 31 H GLN 3 H GLN 3 1.717 3.555 1.854 32 HA GLN 3 HA GLN 3 0.109 5.807 2.760 33 HB2 GLN 3 1HB GLN 3 1.926 5.525 0.341 34 HB3 GLN 3 2HB GLN 3 1.263 7.043 0.961 35 HG2 GLN 3 1HG GLN 3 3.184 5.195 2.423 36 HG3 GLN 3 2HG GLN 3 3.591 6.744 1.682 37 HE21 GLN 3 2HE2 GLN 3 2.890 5.236 4.534 38 HE22 GLN 3 1HE2 GLN 3 2.374 6.625 5.466 39 H GLU 4 H GLU 4 -0.135 3.455 0.168 40 HA GLU 4 HA GLU 4 -2.144 4.889 -1.348 41 HB2 GLU 4 1HB GLU 4 -0.633 3.081 -2.195 42 HB3 GLU 4 2HB GLU 4 -1.540 1.913 -1.236 43 HG2 GLU 4 1HG GLU 4 -3.429 2.095 -2.559 44 HG3 GLU 4 2HG GLU 4 -2.941 3.680 -3.178 45 H LEU 5 H LEU 5 -2.151 2.307 1.098 46 HA LEU 5 HA LEU 5 -4.962 1.946 1.297 47 HB2 LEU 5 1HB LEU 5 -2.685 1.619 3.259 48 HB3 LEU 5 2HB LEU 5 -4.341 1.276 3.707 49 HG LEU 5 HG LEU 5 -2.938 -0.112 1.414 50 HD11 LEU 5 1HD1 LEU 5 -1.771 -0.541 3.558 51 HD12 LEU 5 2HD1 LEU 5 -2.586 -1.990 2.944 52 HD13 LEU 5 3HD1 LEU 5 -3.312 -1.071 4.282 53 HD21 LEU 5 3HD2 LEU 5 -5.408 -0.167 1.331 54 HD22 LEU 5 1HD2 LEU 5 -5.450 -0.831 2.980 55 HD23 LEU 5 2HD2 LEU 5 -4.728 -1.769 1.651 56 H SER 6 H SER 6 -2.813 4.333 2.875 57 HA SER 6 HA SER 6 -4.738 5.479 4.600 58 HB2 SER 6 1HB SER 6 -2.207 5.886 4.472 59 HB3 SER 6 2HB SER 6 -2.569 7.039 3.178 60 HG SER 6 HG SER 6 -4.059 8.025 4.716 61 H GLN 7 H GLN 7 -4.802 5.557 1.152 62 HA GLN 7 HA GLN 7 -6.270 8.153 1.124 63 HB2 GLN 7 1HB GLN 7 -5.397 6.308 -1.124 64 HB3 GLN 7 2HB GLN 7 -6.212 7.860 -1.334 65 HG2 GLN 7 1HG GLN 7 -4.316 9.028 -0.330 66 HG3 GLN 7 2HG GLN 7 -3.511 7.487 -0.012 67 HE21 GLN 7 2HE2 GLN 7 -2.017 6.921 -1.399 68 HE22 GLN 7 1HE2 GLN 7 -1.959 7.394 -3.084 69 H HIS 8 H HIS 8 -6.816 4.715 1.161 70 HA HIS 8 HA HIS 8 -9.433 4.892 -0.144 71 HB2 HIS 8 1HB HIS 8 -7.871 2.868 -0.136 72 HB3 HIS 8 2HB HIS 8 -8.351 2.597 1.526 73 HD1 HIS 8 HD1 HIS 8 -9.788 2.623 -2.004 74 HD2 HIS 8 HD2 HIS 8 -10.816 1.398 1.842 75 HE1 HIS 8 HE1 HIS 8 -11.914 1.268 -2.206 76 H GLU 9 H GLU 9 -10.660 6.374 1.084 77 HA GLU 9 HA GLU 9 -10.622 6.629 3.831 78 HB2 GLU 9 1HB GLU 9 -12.857 7.120 1.873 79 HB3 GLU 9 2HB GLU 9 -13.015 7.462 3.602 80 HG2 GLU 9 1HG GLU 9 -10.781 8.767 3.300 81 HG3 GLU 9 2HG GLU 9 -11.231 8.784 1.584 82 H ARG 10 H ARG 10 -12.574 4.225 2.067 83 HA ARG 10 HA ARG 10 -14.212 3.462 4.270 84 HB2 ARG 10 1HB ARG 10 -14.198 2.843 1.711 85 HB3 ARG 10 2HB ARG 10 -13.208 1.481 2.237 86 HG2 ARG 10 1HG ARG 10 -15.019 0.780 3.771 87 HG3 ARG 10 2HG ARG 10 -15.999 2.151 3.193 88 HD2 ARG 10 1HD ARG 10 -15.564 1.222 0.830 89 HD3 ARG 10 2HD ARG 10 -15.032 -0.263 1.645 90 HE ARG 10 HE ARG 10 -17.564 0.477 2.690 91 HH11 ARG 10 1HH1 ARG 10 -16.209 -0.715 -0.342 92 HH12 ARG 10 2HH1 ARG 10 -17.707 -1.460 -0.832 93 HH21 ARG 10 1HH2 ARG 10 -19.449 -0.490 1.998 94 HH22 ARG 10 2HH2 ARG 10 -19.504 -1.344 0.481 95 H TYR 11 H TYR 11 -10.917 2.521 3.385 96 HA TYR 11 HA TYR 11 -10.766 0.440 5.458 97 HB2 TYR 11 1HB TYR 11 -9.533 0.103 3.407 98 HB3 TYR 11 2HB TYR 11 -8.763 1.687 3.550 99 HD1 TYR 11 HD1 TYR 11 -9.041 -1.598 5.362 100 HD2 TYR 11 HD2 TYR 11 -6.664 1.897 4.566 101 HE1 TYR 11 HE1 TYR 11 -7.128 -2.596 6.601 102 HE2 TYR 11 HE2 TYR 11 -4.764 0.868 5.805 103 HH TYR 11 HH TYR 11 -3.986 -0.980 6.868 104 H VAL 12 H VAL 12 -9.618 3.747 4.812 105 HA VAL 12 HA VAL 12 -8.111 4.162 7.181 106 HB VAL 12 HB VAL 12 -9.843 6.089 5.579 107 HG11 VAL 12 1HG1 VAL 12 -8.611 7.935 6.619 108 HG12 VAL 12 2HG1 VAL 12 -9.502 7.013 7.842 109 HG13 VAL 12 3HG1 VAL 12 -7.753 6.788 7.664 110 HG21 VAL 12 3HG2 VAL 12 -7.878 5.024 4.410 111 HG22 VAL 12 1HG2 VAL 12 -7.777 6.787 4.540 112 HG23 VAL 12 2HG2 VAL 12 -6.825 5.756 5.632 113 H GLU 13 H GLU 13 -11.681 4.321 6.647 114 HA GLU 13 HA GLU 13 -12.283 5.360 9.218 115 HB2 GLU 13 1HB GLU 13 -13.853 3.688 7.269 116 HB3 GLU 13 2HB GLU 13 -14.503 4.124 8.861 117 HG2 GLU 13 1HG GLU 13 -13.893 6.517 8.295 118 HG3 GLU 13 2HG GLU 13 -13.701 5.984 6.630 119 H GLN 14 H GLN 14 -11.764 1.956 8.247 120 HA GLN 14 HA GLN 14 -12.501 0.958 10.863 121 HB2 GLN 14 1HB GLN 14 -10.675 -0.210 8.728 122 HB3 GLN 14 2HB GLN 14 -11.167 -1.044 10.205 123 HG2 GLN 14 1HG GLN 14 -12.956 -0.144 7.939 124 HG3 GLN 14 2HG GLN 14 -12.556 -1.804 8.406 125 HE21 GLN 14 2HE2 GLN 14 -12.965 -2.004 11.024 126 HE22 GLN 14 1HE2 GLN 14 -14.606 -1.548 11.443 127 H LEU 15 H LEU 15 -9.479 2.132 9.371 128 HA LEU 15 HA LEU 15 -7.888 1.532 11.701 129 HB2 LEU 15 1HB LEU 15 -7.468 3.438 9.403 130 HB3 LEU 15 2HB LEU 15 -6.310 3.214 10.695 131 HG LEU 15 HG LEU 15 -7.140 1.137 8.656 132 HD11 LEU 15 1HD1 LEU 15 -5.678 2.860 7.779 133 HD12 LEU 15 2HD1 LEU 15 -4.717 1.393 8.038 134 HD13 LEU 15 3HD1 LEU 15 -4.601 2.735 9.193 135 HD21 LEU 15 3HD2 LEU 15 -5.194 0.908 10.998 136 HD22 LEU 15 1HD2 LEU 15 -5.320 -0.256 9.658 137 HD23 LEU 15 2HD2 LEU 15 -6.688 -0.032 10.758 138 H LYS 16 H LYS 16 -10.067 4.199 10.955 139 HA LYS 16 HA LYS 16 -8.968 6.123 12.799 140 HB2 LYS 16 1HB LYS 16 -11.864 5.632 11.978 141 HB3 LYS 16 2HB LYS 16 -11.354 6.968 12.997 142 HG2 LYS 16 1HG LYS 16 -10.051 7.948 11.169 143 HG3 LYS 16 2HG LYS 16 -10.403 6.557 10.147 144 HD2 LYS 16 1HD LYS 16 -12.880 7.096 10.381 145 HD3 LYS 16 2HD LYS 16 -12.402 8.623 11.142 146 HE2 LYS 16 1HE LYS 16 -11.183 9.286 9.088 147 HE3 LYS 16 2HE LYS 16 -11.525 7.712 8.354 148 HZ1 LYS 16 3HZ LYS 16 -13.578 9.766 9.006 149 HZ2 LYS 16 1HZ LYS 16 -13.902 8.282 8.361 150 HZ3 LYS 16 2HZ LYS 16 -13.033 9.385 7.495 151 H GLN 17 H GLN 17 -11.024 3.265 13.136 152 HA GLN 17 HA GLN 17 -11.277 3.702 16.030 153 HB2 GLN 17 1HB GLN 17 -11.961 1.210 14.450 154 HB3 GLN 17 2HB GLN 17 -12.524 1.643 16.063 155 HG2 GLN 17 1HG GLN 17 -13.261 3.038 13.451 156 HG3 GLN 17 2HG GLN 17 -14.280 1.931 14.364 157 HE21 GLN 17 2HE2 GLN 17 -15.383 4.235 13.756 158 HE22 GLN 17 1HE2 GLN 17 -15.479 5.298 15.139 159 H ALA 18 H ALA 18 -9.544 1.441 13.827 160 HA ALA 18 HA ALA 18 -8.548 -0.219 15.849 161 HB1 ALA 18 3HB ALA 18 -8.554 -0.686 13.382 162 HB2 ALA 18 1HB ALA 18 -7.138 0.384 13.227 163 HB3 ALA 18 2HB ALA 18 -7.027 -1.094 14.203 164 H LEU 19 H LEU 19 -7.007 2.772 14.519 165 HA LEU 19 HA LEU 19 -4.518 2.406 15.924 166 HB2 LEU 19 1HB LEU 19 -5.909 4.708 14.603 167 HB3 LEU 19 2HB LEU 19 -4.724 5.099 15.837 168 HG LEU 19 HG LEU 19 -3.080 3.605 14.510 169 HD11 LEU 19 1HD1 LEU 19 -5.149 4.157 12.352 170 HD12 LEU 19 2HD1 LEU 19 -4.575 2.566 12.906 171 HD13 LEU 19 3HD1 LEU 19 -3.470 3.660 12.032 172 HD21 LEU 19 3HD2 LEU 19 -4.018 6.237 13.308 173 HD22 LEU 19 1HD2 LEU 19 -2.413 5.489 13.099 174 HD23 LEU 19 2HD2 LEU 19 -2.926 6.069 14.701 175 H LYS 20 H LYS 20 -7.656 3.823 16.858 176 HA LYS 20 HA LYS 20 -6.719 4.895 19.382 177 HB2 LYS 20 1HB LYS 20 -9.501 4.084 18.473 178 HB3 LYS 20 2HB LYS 20 -9.148 4.943 19.968 179 HG2 LYS 20 1HG LYS 20 -8.341 6.868 18.724 180 HG3 LYS 20 2HG LYS 20 -8.564 5.994 17.191 181 HD2 LYS 20 1HD LYS 20 -10.980 5.718 17.731 182 HD3 LYS 20 2HD LYS 20 -10.745 6.698 19.193 183 HE2 LYS 20 1HE LYS 20 -10.067 8.615 17.813 184 HE3 LYS 20 2HE LYS 20 -10.222 7.621 16.343 185 HZ1 LYS 20 3HZ LYS 20 -12.217 8.929 16.715 186 HZ2 LYS 20 1HZ LYS 20 -12.431 8.272 18.214 187 HZ3 LYS 20 2HZ LYS 20 -12.570 7.324 16.872 188 H THR 21 H THR 21 -8.351 1.823 18.454 189 HA THR 21 HA THR 21 -8.702 0.974 21.181 190 HB THR 21 HB THR 21 -9.098 -1.301 20.152 191 HG1 THR 21 HG1 THR 21 -7.759 -1.142 18.344 192 HG21 THR 21 1HG2 THR 21 -11.111 -0.640 18.912 193 HG22 THR 21 2HG2 THR 21 -10.534 1.031 18.825 194 HG23 THR 21 3HG2 THR 21 -10.943 0.312 20.401 195 H ARG 22 H ARG 22 -5.892 1.095 19.232 196 HA ARG 22 HA ARG 22 -4.501 -1.130 20.458 197 HB2 ARG 22 1HB ARG 22 -4.017 0.560 18.370 198 HB3 ARG 22 2HB ARG 22 -2.972 1.276 19.592 199 HG2 ARG 22 1HG ARG 22 -2.892 -1.676 18.855 200 HG3 ARG 22 2HG ARG 22 -1.934 -0.442 18.031 201 HD2 ARG 22 1HD ARG 22 -0.367 -1.046 19.574 202 HD3 ARG 22 2HD ARG 22 -1.225 0.148 20.552 203 HE ARG 22 HE ARG 22 -2.218 -1.552 21.829 204 HH11 ARG 22 1HH1 ARG 22 -0.121 -2.957 19.343 205 HH12 ARG 22 2HH1 ARG 22 -0.097 -4.525 20.138 206 HH21 ARG 22 1HH2 ARG 22 -2.142 -3.598 22.729 207 HH22 ARG 22 2HH2 ARG 22 -1.214 -4.876 21.964 208 H GLY 23 H GLY 23 -5.372 2.116 21.460 209 HA2 GLY 23 1HA GLY 23 -5.198 3.046 23.561 210 HA3 GLY 23 2HA GLY 23 -4.443 1.551 24.133 211 H VAL 24 H VAL 24 -3.005 3.209 21.398 212 HA VAL 24 HA VAL 24 -0.969 4.379 23.225 213 HB VAL 24 HB VAL 24 -0.268 2.073 22.339 214 HG11 VAL 24 1HG1 VAL 24 0.080 3.586 19.732 215 HG12 VAL 24 2HG1 VAL 24 0.551 1.907 20.059 216 HG13 VAL 24 3HG1 VAL 24 -1.163 2.368 20.039 217 HG21 VAL 24 3HG2 VAL 24 2.039 2.721 21.988 218 HG22 VAL 24 1HG2 VAL 24 1.567 4.383 21.575 219 HG23 VAL 24 2HG2 VAL 24 1.331 3.768 23.233 220 H LYS 25 H LYS 25 0.219 6.131 22.327 221 HA LYS 25 HA LYS 25 -1.447 7.739 20.549 222 HB2 LYS 25 1HB LYS 25 -0.294 8.562 22.632 223 HB3 LYS 25 2HB LYS 25 1.253 8.380 21.801 224 HG2 LYS 25 1HG LYS 25 0.506 10.042 20.100 225 HG3 LYS 25 2HG LYS 25 -1.021 10.233 20.988 226 HD2 LYS 25 1HD LYS 25 0.261 10.934 22.999 227 HD3 LYS 25 2HD LYS 25 1.769 10.785 22.074 228 HE2 LYS 25 1HE LYS 25 0.964 12.511 20.490 229 HE3 LYS 25 2HE LYS 25 -0.539 12.664 21.427 230 HZ1 LYS 25 3HZ LYS 25 0.793 13.369 23.328 231 HZ2 LYS 25 1HZ LYS 25 1.066 14.367 22.044 232 HZ3 LYS 25 2HZ LYS 25 2.188 13.230 22.459 233 H VAL 26 H VAL 26 -1.279 6.550 18.566 234 HA VAL 26 HA VAL 26 1.332 7.011 17.162 235 HB VAL 26 HB VAL 26 0.411 5.243 15.509 236 HG11 VAL 26 1HG1 VAL 26 1.339 4.475 18.298 237 HG12 VAL 26 2HG1 VAL 26 1.318 3.372 16.902 238 HG13 VAL 26 3HG1 VAL 26 2.348 4.816 16.883 239 HG21 VAL 26 3HG2 VAL 26 -1.220 4.385 17.946 240 HG22 VAL 26 1HG2 VAL 26 -1.912 5.191 16.524 241 HG23 VAL 26 2HG2 VAL 26 -1.150 3.599 16.356 242 H LYS 27 H LYS 27 1.225 7.704 14.989 243 HA LYS 27 HA LYS 27 -1.197 9.379 14.460 244 HB2 LYS 27 1HB LYS 27 1.057 10.488 14.738 245 HB3 LYS 27 2HB LYS 27 1.631 9.572 13.344 246 HG2 LYS 27 1HG LYS 27 -0.043 10.711 11.914 247 HG3 LYS 27 2HG LYS 27 -0.594 11.643 13.324 248 HD2 LYS 27 1HD LYS 27 1.696 12.571 13.578 249 HD3 LYS 27 2HD LYS 27 2.212 11.665 12.142 250 HE2 LYS 27 1HE LYS 27 0.547 12.893 10.774 251 HE3 LYS 27 2HE LYS 27 0.067 13.826 12.209 252 HZ1 LYS 27 3HZ LYS 27 2.793 13.797 11.030 253 HZ2 LYS 27 1HZ LYS 27 2.323 14.688 12.334 254 HZ3 LYS 27 2HZ LYS 27 1.693 15.014 10.844 255 H PHE 28 H PHE 28 -2.199 9.204 12.431 256 HA PHE 28 HA PHE 28 -2.274 6.695 11.186 257 HB2 PHE 28 1HB PHE 28 -3.305 9.389 10.709 258 HB3 PHE 28 2HB PHE 28 -2.919 8.569 9.192 259 HD1 PHE 28 HD1 PHE 28 -4.086 6.563 8.492 260 HD2 PHE 28 HD2 PHE 28 -5.092 8.561 12.165 261 HE1 PHE 28 HE1 PHE 28 -6.205 5.290 8.596 262 HE2 PHE 28 HE2 PHE 28 -7.227 7.294 12.271 263 HZ PHE 28 HZ PHE 28 -7.790 5.672 10.468 264 H ALA 29 H ALA 29 -0.552 9.625 10.037 265 HA ALA 29 HA ALA 29 0.457 8.505 7.678 266 HB1 ALA 29 3HB ALA 29 2.145 10.302 7.765 267 HB2 ALA 29 1HB ALA 29 0.542 10.922 8.219 268 HB3 ALA 29 2HB ALA 29 1.767 10.599 9.478 269 H ASP 30 H ASP 30 1.843 8.416 10.983 270 HA ASP 30 HA ASP 30 4.271 7.150 10.101 271 HB2 ASP 30 1HB ASP 30 2.995 7.542 12.816 272 HB3 ASP 30 2HB ASP 30 4.535 6.698 12.588 273 H LEU 31 H LEU 31 1.159 5.993 11.389 274 HA LEU 31 HA LEU 31 2.027 3.326 11.850 275 HB2 LEU 31 1HB LEU 31 -0.087 4.315 12.693 276 HB3 LEU 31 2HB LEU 31 -0.719 4.365 11.057 277 HG LEU 31 HG LEU 31 -1.461 2.526 12.758 278 HD11 LEU 31 1HD1 LEU 31 -0.800 1.759 9.895 279 HD12 LEU 31 2HD1 LEU 31 -2.199 2.736 10.400 280 HD13 LEU 31 3HD1 LEU 31 -2.055 1.057 10.936 281 HD21 LEU 31 3HD2 LEU 31 0.951 1.145 11.545 282 HD22 LEU 31 1HD2 LEU 31 -0.292 0.421 12.586 283 HD23 LEU 31 2HD2 LEU 31 0.795 1.655 13.245 284 H LEU 32 H LEU 32 0.287 4.785 9.080 285 HA LEU 32 HA LEU 32 0.588 2.445 7.441 286 HB2 LEU 32 1HB LEU 32 0.014 5.337 6.818 287 HB3 LEU 32 2HB LEU 32 0.271 4.171 5.538 288 HG LEU 32 HG LEU 32 -2.030 4.330 5.712 289 HD11 LEU 32 1HD1 LEU 32 -1.519 1.926 7.475 290 HD12 LEU 32 2HD1 LEU 32 -1.269 1.950 5.712 291 HD13 LEU 32 3HD1 LEU 32 -2.889 2.212 6.379 292 HD21 LEU 32 3HD2 LEU 32 -2.095 5.562 7.752 293 HD22 LEU 32 1HD2 LEU 32 -1.797 4.071 8.684 294 HD23 LEU 32 2HD2 LEU 32 -3.298 4.263 7.725 295 H LYS 33 H LYS 33 2.929 4.975 8.129 296 HA LYS 33 HA LYS 33 4.514 4.501 5.767 297 HB2 LYS 33 1HB LYS 33 5.821 6.076 6.600 298 HB3 LYS 33 2HB LYS 33 4.662 6.232 7.890 299 HG2 LYS 33 1HG LYS 33 6.018 4.624 9.251 300 HG3 LYS 33 2HG LYS 33 7.251 4.659 7.976 301 HD2 LYS 33 1HD LYS 33 7.618 7.014 8.296 302 HD3 LYS 33 2HD LYS 33 6.176 7.160 9.314 303 HE2 LYS 33 1HE LYS 33 7.244 5.630 10.976 304 HE3 LYS 33 2HE LYS 33 8.735 5.690 10.008 305 HZ1 LYS 33 3HZ LYS 33 7.358 8.019 11.254 306 HZ2 LYS 33 1HZ LYS 33 8.722 8.114 10.324 307 HZ3 LYS 33 2HZ LYS 33 8.769 7.337 11.778 308 H PHE 34 H PHE 34 4.190 2.767 8.830 309 HA PHE 34 HA PHE 34 6.452 1.012 8.206 310 HB2 PHE 34 1HB PHE 34 4.315 1.056 10.333 311 HB3 PHE 34 2HB PHE 34 5.385 -0.328 10.136 312 HD1 PHE 34 HD2 PHE 34 7.928 0.071 10.213 313 HD2 PHE 34 HD1 PHE 34 5.046 2.973 11.521 314 HE1 PHE 34 HE2 PHE 34 9.706 1.253 11.498 315 HE2 PHE 34 HE1 PHE 34 6.809 4.168 12.798 316 HZ PHE 34 HZ PHE 34 9.144 3.308 12.794 317 H PHE 35 H PHE 35 3.023 1.116 7.481 318 HA PHE 35 HA PHE 35 2.842 -1.697 6.722 319 HB2 PHE 35 1HB PHE 35 1.168 0.751 6.053 320 HB3 PHE 35 2HB PHE 35 0.841 -0.838 5.373 321 HD1 PHE 35 HD1 PHE 35 2.018 -0.621 8.922 322 HD2 PHE 35 HD2 PHE 35 -1.411 -0.802 6.314 323 HE1 PHE 35 HE1 PHE 35 0.587 -1.184 10.840 324 HE2 PHE 35 HE2 PHE 35 -2.837 -1.371 8.276 325 HZ PHE 35 HZ PHE 35 -1.840 -1.578 10.526 326 H ASP 36 H ASP 36 3.852 1.355 5.228 327 HA ASP 36 HA ASP 36 4.006 0.309 2.530 328 HB2 ASP 36 1HB ASP 36 4.165 2.796 3.697 329 HB3 ASP 36 2HB ASP 36 5.858 2.491 3.277 330 H PHE 37 H PHE 37 6.176 0.456 5.309 331 HA PHE 37 HA PHE 37 8.583 -0.301 3.975 332 HB2 PHE 37 1HB PHE 37 8.357 0.661 6.292 333 HB3 PHE 37 2HB PHE 37 7.766 -0.912 6.838 334 HD1 PHE 37 HD2 PHE 37 10.700 0.712 5.144 335 HD2 PHE 37 HD1 PHE 37 9.290 -2.551 7.566 336 HE1 PHE 37 HE2 PHE 37 13.054 -0.033 5.501 337 HE2 PHE 37 HE1 PHE 37 11.637 -3.304 7.930 338 HZ PHE 37 HZ PHE 37 13.525 -2.047 6.892 339 H VAL 38 H VAL 38 5.771 -2.158 4.991 340 HA VAL 38 HA VAL 38 6.932 -4.782 4.937 341 HB VAL 38 HB VAL 38 4.150 -3.918 3.959 342 HG11 VAL 38 1HG1 VAL 38 4.580 -6.121 3.084 343 HG12 VAL 38 2HG1 VAL 38 5.266 -6.672 4.625 344 HG13 VAL 38 3HG1 VAL 38 3.526 -6.331 4.493 345 HG21 VAL 38 3HG2 VAL 38 4.528 -3.298 6.243 346 HG22 VAL 38 1HG2 VAL 38 3.345 -4.603 6.102 347 HG23 VAL 38 2HG2 VAL 38 5.008 -4.965 6.630 348 H LYS 39 H LYS 39 5.493 -2.657 2.448 349 HA LYS 39 HA LYS 39 5.497 -4.702 0.526 350 HB2 LYS 39 1HB LYS 39 4.162 -2.547 0.494 351 HB3 LYS 39 2HB LYS 39 5.622 -1.721 -0.019 352 HG2 LYS 39 1HG LYS 39 5.636 -3.460 -1.974 353 HG3 LYS 39 2HG LYS 39 3.966 -3.771 -1.506 354 HD2 LYS 39 1HD LYS 39 3.950 -2.161 -3.297 355 HD3 LYS 39 2HD LYS 39 3.482 -1.315 -1.813 356 HE2 LYS 39 1HE LYS 39 5.079 0.019 -3.165 357 HE3 LYS 39 2HE LYS 39 5.752 -0.395 -1.581 358 HZ1 LYS 39 3HZ LYS 39 7.463 -0.863 -3.048 359 HZ2 LYS 39 1HZ LYS 39 6.474 -1.539 -4.201 360 HZ3 LYS 39 2HZ LYS 39 6.805 -2.349 -2.804 361 H ASP 40 H ASP 40 7.826 -2.059 1.147 362 HA ASP 40 HA ASP 40 9.387 -2.663 -1.212 363 HB2 ASP 40 1HB ASP 40 9.610 -0.795 1.099 364 HB3 ASP 40 2HB ASP 40 11.122 -1.246 0.296 365 H THR 41 H THR 41 9.362 -4.027 2.012 366 HA THR 41 HA THR 41 12.017 -5.281 1.526 367 HB THR 41 HB THR 41 10.265 -5.831 3.950 368 HG1 THR 41 HG1 THR 41 10.404 -3.612 3.933 369 HG21 THR 41 1HG2 THR 41 12.506 -6.040 5.027 370 HG22 THR 41 2HG2 THR 41 13.274 -5.731 3.460 371 HG23 THR 41 3HG2 THR 41 12.292 -7.196 3.698 372 H CYS 42 H CYS 42 8.574 -6.039 1.674 373 HA CYS 42 HA CYS 42 9.160 -8.827 0.739 374 HB2 CYS 42 1HB CYS 42 6.926 -7.828 2.552 375 HB3 CYS 42 2HB CYS 42 7.048 -9.464 1.898 376 HG CYS 42 HG CYS 42 9.240 -7.907 3.778 377 HA PRO 43 HA PRO 43 6.493 -6.428 -2.177 378 HB2 PRO 43 1HB PRO 43 7.577 -7.265 -4.545 379 HB3 PRO 43 2HB PRO 43 8.294 -5.938 -3.573 380 HG2 PRO 43 1HG PRO 43 9.063 -8.853 -3.637 381 HG3 PRO 43 2HG PRO 43 10.111 -7.407 -3.805 382 HD2 PRO 43 1HD PRO 43 9.833 -8.702 -1.438 383 HD3 PRO 43 2HD PRO 43 9.981 -6.906 -1.514 384 H TRP 44 H TRP 44 7.421 -9.774 -1.899 385 HA TRP 44 HA TRP 44 5.308 -10.828 -3.567 386 HB2 TRP 44 1HB TRP 44 5.916 -12.965 -2.275 387 HB3 TRP 44 2HB TRP 44 7.146 -12.231 -3.306 388 HD1 TRP 44 HD1 TRP 44 6.328 -11.361 0.426 389 HE1 TRP 44 HE1 TRP 44 8.443 -11.521 1.827 390 HE3 TRP 44 HE3 TRP 44 9.473 -13.013 -3.255 391 HZ2 TRP 44 HZ2 TRP 44 11.158 -12.269 1.418 392 HZ3 TRP 44 HZ3 TRP 44 11.867 -13.452 -2.669 393 HH2 TRP 44 HH2 TRP 44 12.689 -13.077 -0.343 394 H PHE 45 H PHE 45 5.277 -9.483 -0.344 395 HA PHE 45 HA PHE 45 3.290 -11.304 0.692 396 HB2 PHE 45 1HB PHE 45 4.692 -10.001 2.199 397 HB3 PHE 45 2HB PHE 45 3.978 -8.497 1.607 398 HD1 PHE 45 HD1 PHE 45 3.191 -11.685 3.405 399 HD2 PHE 45 HD2 PHE 45 1.909 -7.681 2.472 400 HE1 PHE 45 HE1 PHE 45 1.339 -11.894 5.057 401 HE2 PHE 45 HE2 PHE 45 0.056 -7.892 4.116 402 HZ PHE 45 HZ PHE 45 -0.241 -9.991 5.409 403 HA PRO 46 HA PRO 46 -0.017 -8.226 -0.351 404 HB2 PRO 46 1HB PRO 46 0.259 -6.416 -2.389 405 HB3 PRO 46 2HB PRO 46 0.653 -6.022 -0.686 406 HG2 PRO 46 1HG PRO 46 2.498 -6.925 -2.879 407 HG3 PRO 46 2HG PRO 46 2.635 -5.497 -1.805 408 HD2 PRO 46 1HD PRO 46 3.956 -7.748 -1.236 409 HD3 PRO 46 2HD PRO 46 3.159 -6.815 0.073 410 H GLN 47 H GLN 47 2.216 -9.462 -2.754 411 HA GLN 47 HA GLN 47 0.288 -9.909 -4.839 412 HB2 GLN 47 1HB GLN 47 2.971 -11.204 -4.252 413 HB3 GLN 47 2HB GLN 47 2.048 -11.446 -5.739 414 HG2 GLN 47 1HG GLN 47 2.273 -9.108 -6.339 415 HG3 GLN 47 2HG GLN 47 3.012 -8.726 -4.781 416 HE21 GLN 47 2HE2 GLN 47 4.666 -7.801 -6.264 417 HE22 GLN 47 1HE2 GLN 47 5.941 -8.863 -6.810 418 H GLU 48 H GLU 48 0.829 -11.516 -1.806 419 HA GLU 48 HA GLU 48 -0.182 -14.108 -2.708 420 HB2 GLU 48 1HB GLU 48 0.050 -12.927 0.092 421 HB3 GLU 48 2HB GLU 48 -0.412 -14.588 -0.288 422 HG2 GLU 48 1HG GLU 48 1.851 -14.680 -1.568 423 HG3 GLU 48 2HG GLU 48 2.269 -13.274 -0.579 424 H GLY 49 H GLY 49 -1.549 -11.040 -1.851 425 HA2 GLY 49 1HA GLY 49 -3.714 -10.317 -1.695 426 HA3 GLY 49 2HA GLY 49 -4.161 -11.762 -2.607 427 H THR 50 H THR 50 -2.614 -12.351 0.423 428 HA THR 50 HA THR 50 -5.242 -12.827 1.752 429 HB THR 50 HB THR 50 -2.968 -14.856 1.634 430 HG1 THR 50 HG1 THR 50 -4.068 -14.536 -0.410 431 HG21 THR 50 1HG2 THR 50 -4.806 -16.399 2.427 432 HG22 THR 50 2HG2 THR 50 -5.834 -14.967 2.656 433 HG23 THR 50 3HG2 THR 50 -4.340 -15.154 3.607 434 H ILE 51 H ILE 51 -5.201 -12.345 3.901 435 HA ILE 51 HA ILE 51 -2.510 -11.799 5.114 436 HB ILE 51 HB ILE 51 -5.036 -10.099 5.258 437 HG12 ILE 51 1HG1 ILE 51 -2.224 -9.572 4.201 438 HG13 ILE 51 2HG1 ILE 51 -3.651 -9.861 3.208 439 HG21 ILE 51 1HG2 ILE 51 -3.909 -8.608 6.782 440 HG22 ILE 51 2HG2 ILE 51 -3.837 -10.226 7.492 441 HG23 ILE 51 3HG2 ILE 51 -2.393 -9.552 6.696 442 HD11 ILE 51 3HD1 ILE 51 -4.667 -7.816 4.203 443 HD12 ILE 51 1HD1 ILE 51 -3.083 -7.479 4.951 444 HD13 ILE 51 2HD1 ILE 51 -3.234 -7.553 3.187 445 H ASP 52 H ASP 52 -2.268 -13.479 6.345 446 HA ASP 52 HA ASP 52 -4.144 -13.821 8.619 447 HB2 ASP 52 1HB ASP 52 -4.852 -15.694 7.413 448 HB3 ASP 52 2HB ASP 52 -3.265 -15.933 6.662 449 H ILE 53 H ILE 53 -2.948 -14.832 10.424 450 HA ILE 53 HA ILE 53 -0.557 -13.403 10.745 451 HB ILE 53 HB ILE 53 -2.205 -14.216 12.499 452 HG12 ILE 53 1HG1 ILE 53 -0.497 -14.436 14.283 453 HG13 ILE 53 2HG1 ILE 53 0.737 -14.799 13.086 454 HG21 ILE 53 1HG2 ILE 53 -1.844 -16.376 13.572 455 HG22 ILE 53 2HG2 ILE 53 -2.186 -16.639 11.848 456 HG23 ILE 53 3HG2 ILE 53 -0.506 -16.754 12.456 457 HD11 ILE 53 3HD1 ILE 53 0.755 -12.474 14.026 458 HD12 ILE 53 1HD1 ILE 53 0.738 -12.578 12.258 459 HD13 ILE 53 2HD1 ILE 53 -0.754 -12.179 13.141 460 H LYS 54 H LYS 54 -1.013 -16.707 9.563 461 HA LYS 54 HA LYS 54 1.716 -17.510 10.161 462 HB2 LYS 54 1HB LYS 54 -0.212 -18.616 8.080 463 HB3 LYS 54 2HB LYS 54 1.208 -19.444 8.729 464 HG2 LYS 54 1HG LYS 54 0.169 -19.688 10.902 465 HG3 LYS 54 2HG LYS 54 -1.124 -18.563 10.477 466 HD2 LYS 54 1HD LYS 54 -1.656 -20.277 8.565 467 HD3 LYS 54 2HD LYS 54 -0.748 -21.406 9.593 468 HE2 LYS 54 1HE LYS 54 -3.031 -21.634 10.255 469 HE3 LYS 54 2HE LYS 54 -2.277 -20.643 11.519 470 HZ1 LYS 54 3HZ LYS 54 -3.180 -18.660 10.302 471 HZ2 LYS 54 1HZ LYS 54 -4.359 -19.649 10.897 472 HZ3 LYS 54 2HZ LYS 54 -3.988 -19.668 9.291 473 H ARG 55 H ARG 55 0.065 -15.910 7.479 474 HA ARG 55 HA ARG 55 2.398 -16.048 5.705 475 HB2 ARG 55 1HB ARG 55 -0.028 -14.216 5.543 476 HB3 ARG 55 2HB ARG 55 1.111 -14.600 4.246 477 HG2 ARG 55 1HG ARG 55 0.362 -17.036 4.488 478 HG3 ARG 55 2HG ARG 55 -0.925 -16.436 5.552 479 HD2 ARG 55 1HD ARG 55 -2.078 -16.369 3.610 480 HD3 ARG 55 2HD ARG 55 -1.309 -14.780 3.479 481 HE ARG 55 HE ARG 55 0.466 -15.905 2.091 482 HH11 ARG 55 1HH1 ARG 55 -2.784 -17.322 2.216 483 HH12 ARG 55 2HH1 ARG 55 -2.579 -18.137 0.691 484 HH21 ARG 55 1HH2 ARG 55 0.651 -17.018 0.179 485 HH22 ARG 55 2HH2 ARG 55 -0.693 -17.956 -0.440 486 H TRP 56 H TRP 56 0.912 -13.798 7.995 487 HA TRP 56 HA TRP 56 2.589 -11.555 7.509 488 HB2 TRP 56 1HB TRP 56 0.464 -11.596 8.823 489 HB3 TRP 56 2HB TRP 56 1.325 -12.430 10.121 490 HD1 TRP 56 HD1 TRP 56 2.093 -10.833 11.969 491 HE1 TRP 56 HE1 TRP 56 2.763 -8.387 12.210 492 HE3 TRP 56 HE3 TRP 56 1.673 -9.512 7.054 493 HZ2 TRP 56 HZ2 TRP 56 3.106 -6.155 10.484 494 HZ3 TRP 56 HZ3 TRP 56 2.223 -7.169 6.391 495 HH2 TRP 56 HH2 TRP 56 2.918 -5.503 8.114 496 H ARG 57 H ARG 57 3.197 -14.537 9.309 497 HA ARG 57 HA ARG 57 5.380 -13.699 10.916 498 HB2 ARG 57 1HB ARG 57 5.322 -16.322 9.383 499 HB3 ARG 57 2HB ARG 57 6.253 -15.950 10.827 500 HG2 ARG 57 1HG ARG 57 3.296 -16.425 10.595 501 HG3 ARG 57 2HG ARG 57 4.478 -17.369 11.482 502 HD2 ARG 57 1HD ARG 57 4.805 -15.220 12.876 503 HD3 ARG 57 2HD ARG 57 3.288 -14.675 12.153 504 HE ARG 57 HE ARG 57 2.109 -16.202 13.419 505 HH11 ARG 57 1HH1 ARG 57 5.561 -16.858 13.840 506 HH12 ARG 57 2HH1 ARG 57 5.285 -17.900 15.212 507 HH21 ARG 57 1HH2 ARG 57 1.840 -17.526 15.179 508 HH22 ARG 57 2HH2 ARG 57 3.214 -18.275 15.948 509 H ARG 58 H ARG 58 5.317 -14.715 7.509 510 HA ARG 58 HA ARG 58 8.051 -14.739 6.960 511 HB2 ARG 58 1HB ARG 58 5.808 -13.752 5.167 512 HB3 ARG 58 2HB ARG 58 7.431 -14.179 4.632 513 HG2 ARG 58 1HG ARG 58 7.075 -16.505 5.290 514 HG3 ARG 58 2HG ARG 58 5.462 -16.100 5.923 515 HD2 ARG 58 1HD ARG 58 5.243 -17.040 3.691 516 HD3 ARG 58 2HD ARG 58 4.786 -15.325 3.667 517 HE ARG 58 HE ARG 58 7.580 -15.724 3.019 518 HH11 ARG 58 1HH1 ARG 58 4.341 -15.790 1.577 519 HH12 ARG 58 2HH1 ARG 58 4.961 -15.493 -0.020 520 HH21 ARG 58 1HH2 ARG 58 8.275 -15.324 0.947 521 HH22 ARG 58 2HH2 ARG 58 7.136 -15.219 -0.366 522 H VAL 59 H VAL 59 5.927 -11.918 7.230 523 HA VAL 59 HA VAL 59 7.724 -10.108 5.909 524 HB VAL 59 HB VAL 59 5.545 -9.550 7.971 525 HG11 VAL 59 1HG1 VAL 59 7.027 -7.638 7.730 526 HG12 VAL 59 2HG1 VAL 59 6.907 -7.723 5.960 527 HG13 VAL 59 3HG1 VAL 59 5.478 -7.299 6.940 528 HG21 VAL 59 3HG2 VAL 59 4.614 -10.741 6.106 529 HG22 VAL 59 1HG2 VAL 59 4.179 -9.034 5.932 530 HG23 VAL 59 2HG2 VAL 59 5.493 -9.716 4.944 531 H GLY 60 H GLY 60 7.227 -11.091 9.290 532 HA2 GLY 60 1HA GLY 60 9.165 -9.155 10.251 533 HA3 GLY 60 2HA GLY 60 8.383 -10.450 11.183 534 H ASP 61 H ASP 61 9.122 -12.575 9.370 535 HA ASP 61 HA ASP 61 11.722 -13.255 10.334 536 HB2 ASP 61 1HB ASP 61 10.228 -14.279 7.877 537 HB3 ASP 61 2HB ASP 61 11.614 -15.073 8.638 538 H CYS 62 H CYS 62 10.512 -11.797 7.317 539 HA CYS 62 HA CYS 62 12.978 -11.661 5.905 540 HB2 CYS 62 1HB CYS 62 10.450 -11.137 5.273 541 HB3 CYS 62 2HB CYS 62 10.903 -9.494 5.694 542 HG CYS 62 HG CYS 62 10.912 -9.666 3.157 543 H PHE 63 H PHE 63 11.373 -9.287 8.090 544 HA PHE 63 HA PHE 63 13.367 -7.259 7.811 545 HB2 PHE 63 1HB PHE 63 11.715 -7.956 10.272 546 HB3 PHE 63 2HB PHE 63 12.626 -6.471 10.050 547 HD1 PHE 63 HD1 PHE 63 11.806 -6.122 7.008 548 HD2 PHE 63 HD2 PHE 63 9.603 -6.846 10.634 549 HE1 PHE 63 HE1 PHE 63 9.814 -5.011 6.018 550 HE2 PHE 63 HE2 PHE 63 7.614 -5.723 9.647 551 HZ PHE 63 HZ PHE 63 7.716 -4.807 7.334 552 H GLN 64 H GLN 64 13.105 -10.127 9.935 553 HA GLN 64 HA GLN 64 15.365 -9.431 11.545 554 HB2 GLN 64 1HB GLN 64 13.578 -11.068 12.158 555 HB3 GLN 64 2HB GLN 64 14.244 -12.193 10.967 556 HG2 GLN 64 1HG GLN 64 15.023 -12.755 13.213 557 HG3 GLN 64 2HG GLN 64 16.376 -12.253 12.187 558 HE21 GLN 64 2HE2 GLN 64 17.764 -10.901 13.087 559 HE22 GLN 64 1HE2 GLN 64 17.407 -9.789 14.389 560 H ASP 65 H ASP 65 15.059 -11.536 8.634 561 HA ASP 65 HA ASP 65 17.779 -12.394 8.661 562 HB2 ASP 65 1HB ASP 65 15.737 -12.049 6.448 563 HB3 ASP 65 2HB ASP 65 17.386 -12.602 6.115 564 H TYR 66 H TYR 66 16.204 -9.596 7.063 565 HA TYR 66 HA TYR 66 18.607 -8.636 5.839 566 HB2 TYR 66 1HB TYR 66 16.089 -8.032 5.492 567 HB3 TYR 66 2HB TYR 66 16.366 -6.841 6.754 568 HD1 TYR 66 HD2 TYR 66 18.730 -5.402 6.258 569 HD2 TYR 66 HD1 TYR 66 16.214 -7.285 3.311 570 HE1 TYR 66 HE2 TYR 66 19.641 -3.893 4.500 571 HE2 TYR 66 HE1 TYR 66 17.117 -5.740 1.570 572 HH TYR 66 HH TYR 66 19.609 -3.290 2.320 573 H PHE 67 H PHE 67 17.079 -7.994 9.014 574 HA PHE 67 HA PHE 67 18.907 -5.956 9.861 575 HB2 PHE 67 1HB PHE 67 16.707 -6.465 10.883 576 HB3 PHE 67 2HB PHE 67 17.351 -7.989 11.501 577 HD1 PHE 67 HD2 PHE 67 19.167 -7.943 13.265 578 HD2 PHE 67 HD1 PHE 67 17.066 -4.410 12.001 579 HE1 PHE 67 HE2 PHE 67 19.909 -6.768 15.331 580 HE2 PHE 67 HE1 PHE 67 17.773 -3.241 14.066 581 HZ PHE 67 HZ PHE 67 19.205 -4.412 15.743 582 H ASN 68 H ASN 68 19.044 -9.550 10.157 583 HA ASN 68 HA ASN 68 21.381 -9.414 11.870 584 HB2 ASN 68 1HB ASN 68 21.037 -11.604 12.104 585 HB3 ASN 68 2HB ASN 68 19.598 -11.419 11.109 586 HD21 ASN 68 2HD2 ASN 68 19.520 -12.458 9.196 587 HD22 ASN 68 1HD2 ASN 68 20.852 -13.356 8.513 588 H THR 69 H THR 69 20.824 -9.625 8.403 589 HA THR 69 HA THR 69 23.523 -10.134 7.647 590 HB THR 69 HB THR 69 21.392 -8.603 6.067 591 HG1 THR 69 HG1 THR 69 20.607 -10.633 6.664 592 HG21 THR 69 1HG2 THR 69 23.848 -10.177 5.193 593 HG22 THR 69 2HG2 THR 69 23.601 -8.421 5.024 594 HG23 THR 69 3HG2 THR 69 22.591 -9.555 4.100 595 H PHE 70 H PHE 70 21.774 -6.982 8.018 596 HA PHE 70 HA PHE 70 24.468 -5.718 7.761 597 HB2 PHE 70 1HB PHE 70 22.147 -5.462 6.117 598 HB3 PHE 70 2HB PHE 70 22.534 -3.906 6.840 599 HD1 PHE 70 HD1 PHE 70 25.336 -3.617 6.949 600 HD2 PHE 70 HD2 PHE 70 23.031 -5.726 3.995 601 HE1 PHE 70 HE1 PHE 70 27.182 -3.305 5.307 602 HE2 PHE 70 HE2 PHE 70 24.872 -5.421 2.336 603 HZ PHE 70 HZ PHE 70 26.954 -4.206 2.993 604 H GLY 71 H GLY 71 22.136 -6.007 10.090 605 HA2 GLY 71 1HA GLY 71 22.292 -4.957 12.144 606 HA3 GLY 71 2HA GLY 71 23.324 -3.713 11.450 607 HA PRO 72 HA PRO 72 19.033 -2.141 12.548 608 HB2 PRO 72 1HB PRO 72 19.771 -0.250 14.373 609 HB3 PRO 72 2HB PRO 72 19.596 -1.981 14.802 610 HG2 PRO 72 1HG PRO 72 22.086 -0.480 14.044 611 HG3 PRO 72 2HG PRO 72 21.778 -1.498 15.490 612 HD2 PRO 72 1HD PRO 72 23.035 -2.507 13.347 613 HD3 PRO 72 2HD PRO 72 21.817 -3.491 14.233 614 H GLU 73 H GLU 73 21.869 -0.770 11.203 615 HA GLU 73 HA GLU 73 20.845 1.895 10.732 616 HB2 GLU 73 1HB GLU 73 22.969 0.243 9.357 617 HB3 GLU 73 2HB GLU 73 22.659 1.947 9.008 618 HG2 GLU 73 1HG GLU 73 23.288 2.517 11.315 619 HG3 GLU 73 2HG GLU 73 23.640 0.803 11.629 620 H LYS 74 H LYS 74 20.288 -1.200 9.346 621 HA LYS 74 HA LYS 74 19.413 0.042 6.769 622 HB2 LYS 74 1HB LYS 74 20.526 -2.613 7.570 623 HB3 LYS 74 2HB LYS 74 19.503 -2.502 6.128 624 HG2 LYS 74 1HG LYS 74 21.765 -2.332 5.352 625 HG3 LYS 74 2HG LYS 74 21.102 -0.692 5.257 626 HD2 LYS 74 1HD LYS 74 22.262 -0.029 7.261 627 HD3 LYS 74 2HD LYS 74 22.687 -1.698 7.640 628 HE2 LYS 74 1HE LYS 74 24.072 -1.706 5.520 629 HE3 LYS 74 2HE LYS 74 23.812 0.053 5.448 630 HZ1 LYS 74 3HZ LYS 74 24.819 0.232 7.667 631 HZ2 LYS 74 1HZ LYS 74 25.867 -0.537 6.653 632 HZ3 LYS 74 2HZ LYS 74 25.005 -1.405 7.757 633 H VAL 75 H VAL 75 18.373 -2.189 9.373 634 HA VAL 75 HA VAL 75 15.584 -1.545 8.478 635 HB VAL 75 HB VAL 75 16.570 -4.119 9.817 636 HG11 VAL 75 1HG1 VAL 75 14.375 -3.462 10.727 637 HG12 VAL 75 2HG1 VAL 75 13.731 -3.275 9.078 638 HG13 VAL 75 3HG1 VAL 75 14.213 -4.877 9.677 639 HG21 VAL 75 3HG2 VAL 75 17.031 -4.193 7.458 640 HG22 VAL 75 1HG2 VAL 75 15.603 -5.197 7.772 641 HG23 VAL 75 2HG2 VAL 75 15.410 -3.580 7.062 642 HA PRO 76 HA PRO 76 16.134 0.114 12.522 643 HB2 PRO 76 1HB PRO 76 13.786 1.354 12.961 644 HB3 PRO 76 2HB PRO 76 14.930 1.947 11.745 645 HG2 PRO 76 1HG PRO 76 12.485 0.289 11.376 646 HG3 PRO 76 2HG PRO 76 13.015 1.728 10.462 647 HD2 PRO 76 1HD PRO 76 13.422 -0.861 9.611 648 HD3 PRO 76 2HD PRO 76 14.512 0.504 9.182 649 H VAL 77 H VAL 77 15.626 -0.386 14.701 650 HA VAL 77 HA VAL 77 14.317 -2.884 15.147 651 HB VAL 77 HB VAL 77 14.551 -2.352 17.571 652 HG11 VAL 77 1HG1 VAL 77 17.002 -2.336 17.596 653 HG12 VAL 77 2HG1 VAL 77 16.411 -3.365 16.276 654 HG13 VAL 77 3HG1 VAL 77 17.045 -1.740 15.921 655 HG21 VAL 77 3HG2 VAL 77 15.702 -0.286 18.267 656 HG22 VAL 77 1HG2 VAL 77 15.708 0.305 16.593 657 HG23 VAL 77 2HG2 VAL 77 14.169 0.100 17.469 658 H THR 78 H THR 78 13.060 0.379 14.990 659 HA THR 78 HA THR 78 10.677 -0.162 16.525 660 HB THR 78 HB THR 78 11.177 2.124 16.251 661 HG1 THR 78 HG1 THR 78 8.922 1.455 15.908 662 HG21 THR 78 1HG2 THR 78 11.332 1.623 13.297 663 HG22 THR 78 2HG2 THR 78 12.580 2.288 14.389 664 HG23 THR 78 3HG2 THR 78 11.143 3.242 13.997 665 H ALA 79 H ALA 79 11.659 -0.884 13.231 666 HA ALA 79 HA ALA 79 9.002 -1.153 12.189 667 HB1 ALA 79 3HB ALA 79 10.926 -0.997 10.765 668 HB2 ALA 79 1HB ALA 79 11.597 -2.501 11.434 669 HB3 ALA 79 2HB ALA 79 10.100 -2.544 10.472 670 H PHE 80 H PHE 80 11.103 -3.368 14.046 671 HA PHE 80 HA PHE 80 9.381 -5.669 13.732 672 HB2 PHE 80 1HB PHE 80 11.354 -4.943 15.932 673 HB3 PHE 80 2HB PHE 80 10.600 -6.526 15.721 674 HD1 PHE 80 HD1 PHE 80 13.018 -4.120 14.285 675 HD2 PHE 80 HD2 PHE 80 11.361 -8.075 14.046 676 HE1 PHE 80 HE1 PHE 80 14.869 -4.784 12.783 677 HE2 PHE 80 HE2 PHE 80 13.198 -8.758 12.539 678 HZ PHE 80 HZ PHE 80 14.954 -7.119 11.891 679 H SER 81 H SER 81 9.527 -2.941 15.947 680 HA SER 81 HA SER 81 7.715 -4.023 17.920 681 HB2 SER 81 1HB SER 81 9.275 -2.152 18.401 682 HB3 SER 81 2HB SER 81 8.392 -1.126 17.253 683 HG SER 81 HG SER 81 7.430 -2.242 19.681 684 H TYR 82 H TYR 82 7.383 -1.857 15.095 685 HA TYR 82 HA TYR 82 4.527 -1.576 15.336 686 HB2 TYR 82 1HB TYR 82 6.620 -1.010 13.292 687 HB3 TYR 82 2HB TYR 82 4.966 -1.230 12.700 688 HD1 TYR 82 HD2 TYR 82 7.104 0.831 14.953 689 HD2 TYR 82 HD1 TYR 82 3.234 0.342 13.149 690 HE1 TYR 82 HE2 TYR 82 6.491 3.141 15.666 691 HE2 TYR 82 HE1 TYR 82 2.623 2.685 13.861 692 HH TYR 82 HH TYR 82 4.900 4.767 15.658 693 H TRP 83 H TRP 83 6.662 -3.876 13.609 694 HA TRP 83 HA TRP 83 4.627 -5.183 12.167 695 HB2 TRP 83 1HB TRP 83 7.034 -5.588 11.804 696 HB3 TRP 83 2HB TRP 83 7.180 -6.279 13.413 697 HD1 TRP 83 HD1 TRP 83 5.683 -7.160 9.980 698 HE1 TRP 83 HE1 TRP 83 5.223 -9.661 9.848 699 HE3 TRP 83 HE3 TRP 83 6.834 -8.336 14.822 700 HZ2 TRP 83 HZ2 TRP 83 5.308 -11.875 11.619 701 HZ3 TRP 83 HZ3 TRP 83 6.641 -10.722 15.551 702 HH2 TRP 83 HH2 TRP 83 5.874 -12.475 13.947 703 H ASN 84 H ASN 84 5.776 -5.647 15.525 704 HA ASN 84 HA ASN 84 4.260 -7.979 16.067 705 HB2 ASN 84 1HB ASN 84 6.189 -7.302 17.375 706 HB3 ASN 84 2HB ASN 84 5.402 -5.782 17.809 707 HD21 ASN 84 2HD2 ASN 84 4.012 -5.681 19.428 708 HD22 ASN 84 1HD2 ASN 84 3.597 -7.046 20.409 709 H LEU 85 H LEU 85 3.457 -4.544 16.027 710 HA LEU 85 HA LEU 85 1.104 -4.685 17.665 711 HB2 LEU 85 1HB LEU 85 2.379 -2.634 16.997 712 HB3 LEU 85 2HB LEU 85 1.793 -2.823 15.363 713 HG LEU 85 HG LEU 85 -0.091 -2.343 17.641 714 HD11 LEU 85 1HD1 LEU 85 1.620 -0.578 17.671 715 HD12 LEU 85 2HD1 LEU 85 0.095 0.076 17.040 716 HD13 LEU 85 3HD1 LEU 85 1.417 -0.323 15.921 717 HD21 LEU 85 3HD2 LEU 85 -0.260 -1.812 14.639 718 HD22 LEU 85 1HD2 LEU 85 -1.484 -1.321 15.832 719 HD23 LEU 85 2HD2 LEU 85 -1.172 -3.038 15.543 720 H ILE 86 H ILE 86 1.679 -4.912 14.117 721 HA ILE 86 HA ILE 86 -1.113 -5.362 13.562 722 HB ILE 86 HB ILE 86 1.273 -6.066 11.839 723 HG12 ILE 86 1HG1 ILE 86 -0.151 -3.771 10.916 724 HG13 ILE 86 2HG1 ILE 86 0.172 -3.517 12.631 725 HG21 ILE 86 1HG2 ILE 86 -0.413 -5.853 9.979 726 HG22 ILE 86 2HG2 ILE 86 -0.733 -7.211 11.069 727 HG23 ILE 86 3HG2 ILE 86 -1.697 -5.727 11.216 728 HD11 ILE 86 3HD1 ILE 86 2.574 -4.255 12.073 729 HD12 ILE 86 1HD1 ILE 86 2.114 -3.945 10.383 730 HD13 ILE 86 2HD1 ILE 86 2.047 -2.635 11.585 731 H LYS 87 H LYS 87 1.668 -7.415 14.313 732 HA LYS 87 HA LYS 87 0.580 -9.889 13.482 733 HB2 LYS 87 1HB LYS 87 2.679 -10.388 14.105 734 HB3 LYS 87 2HB LYS 87 2.782 -8.961 15.117 735 HG2 LYS 87 1HG LYS 87 1.668 -10.210 16.968 736 HG3 LYS 87 2HG LYS 87 1.687 -11.663 15.956 737 HD2 LYS 87 1HD LYS 87 4.112 -11.645 15.938 738 HD3 LYS 87 2HD LYS 87 4.132 -10.058 16.734 739 HE2 LYS 87 1HE LYS 87 2.820 -11.166 18.643 740 HE3 LYS 87 2HE LYS 87 3.278 -12.718 17.909 741 HZ1 LYS 87 3HZ LYS 87 4.870 -12.056 19.586 742 HZ2 LYS 87 1HZ LYS 87 5.122 -10.594 18.861 743 HZ3 LYS 87 2HZ LYS 87 5.614 -11.986 18.114 744 H GLU 88 H GLU 88 0.192 -8.200 16.680 745 HA GLU 88 HA GLU 88 -1.483 -10.414 17.533 746 HB2 GLU 88 1HB GLU 88 -1.819 -9.257 19.549 747 HB3 GLU 88 2HB GLU 88 -0.132 -9.074 19.104 748 HG2 GLU 88 1HG GLU 88 -0.501 -6.796 18.424 749 HG3 GLU 88 2HG GLU 88 -2.251 -6.961 18.667 750 H LEU 89 H LEU 89 -2.079 -7.392 15.831 751 HA LEU 89 HA LEU 89 -4.881 -7.283 16.237 752 HB2 LEU 89 1HB LEU 89 -2.871 -6.101 14.479 753 HB3 LEU 89 2HB LEU 89 -4.413 -6.375 13.666 754 HG LEU 89 HG LEU 89 -5.535 -5.187 15.507 755 HD11 LEU 89 1HD1 LEU 89 -3.903 -5.373 17.316 756 HD12 LEU 89 2HD1 LEU 89 -4.322 -3.680 16.990 757 HD13 LEU 89 3HD1 LEU 89 -2.781 -4.343 16.407 758 HD21 LEU 89 3HD2 LEU 89 -3.401 -3.601 14.040 759 HD22 LEU 89 1HD2 LEU 89 -4.903 -2.934 14.722 760 HD23 LEU 89 2HD2 LEU 89 -4.979 -4.088 13.375 761 H ILE 90 H ILE 90 -2.906 -9.009 13.762 762 HA ILE 90 HA ILE 90 -5.311 -10.046 12.469 763 HB ILE 90 HB ILE 90 -2.446 -11.097 12.231 764 HG12 ILE 90 1HG1 ILE 90 -3.859 -9.255 10.274 765 HG13 ILE 90 2HG1 ILE 90 -2.828 -8.634 11.563 766 HG21 ILE 90 1HG2 ILE 90 -4.147 -12.718 11.437 767 HG22 ILE 90 2HG2 ILE 90 -4.931 -11.453 10.464 768 HG23 ILE 90 3HG2 ILE 90 -3.305 -12.026 10.042 769 HD11 ILE 90 3HD1 ILE 90 -1.542 -8.792 9.468 770 HD12 ILE 90 1HD1 ILE 90 -0.891 -9.936 10.663 771 HD13 ILE 90 2HD1 ILE 90 -1.913 -10.522 9.331 772 H ASP 91 H ASP 91 -2.884 -11.310 14.791 773 HA ASP 91 HA ASP 91 -3.785 -14.007 14.796 774 HB2 ASP 91 1HB ASP 91 -1.651 -12.947 15.772 775 HB3 ASP 91 2HB ASP 91 -2.626 -12.548 17.192 776 H LYS 92 H LYS 92 -4.938 -11.148 16.510 777 HA LYS 92 HA LYS 92 -6.965 -12.809 17.965 778 HB2 LYS 92 1HB LYS 92 -5.955 -10.046 18.518 779 HB3 LYS 92 2HB LYS 92 -7.179 -10.931 19.448 780 HG2 LYS 92 1HG LYS 92 -5.483 -12.776 19.743 781 HG3 LYS 92 2HG LYS 92 -4.259 -11.661 19.095 782 HD2 LYS 92 1HD LYS 92 -6.086 -11.027 21.371 783 HD3 LYS 92 2HD LYS 92 -4.478 -11.756 21.573 784 HE2 LYS 92 1HE LYS 92 -3.577 -9.812 20.171 785 HE3 LYS 92 2HE LYS 92 -5.138 -9.026 20.389 786 HZ1 LYS 92 3HZ LYS 92 -3.377 -8.327 21.963 787 HZ2 LYS 92 1HZ LYS 92 -3.381 -9.840 22.625 788 HZ3 LYS 92 2HZ LYS 92 -4.734 -8.900 22.722 789 H LYS 93 H LYS 93 -7.046 -11.765 15.051 790 HA LYS 93 HA LYS 93 -8.711 -9.482 14.909 791 HB2 LYS 93 1HB LYS 93 -9.184 -10.103 12.636 792 HB3 LYS 93 2HB LYS 93 -7.495 -10.462 12.988 793 HG2 LYS 93 1HG LYS 93 -8.099 -12.870 13.290 794 HG3 LYS 93 2HG LYS 93 -9.768 -12.477 12.849 795 HD2 LYS 93 1HD LYS 93 -9.124 -11.830 10.630 796 HD3 LYS 93 2HD LYS 93 -7.400 -11.931 11.044 797 HE2 LYS 93 1HE LYS 93 -8.122 -13.909 9.757 798 HE3 LYS 93 2HE LYS 93 -7.568 -14.347 11.380 799 HZ1 LYS 93 3HZ LYS 93 -9.830 -14.673 12.071 800 HZ2 LYS 93 1HZ LYS 93 -9.621 -15.509 10.677 801 HZ3 LYS 93 2HZ LYS 93 -10.435 -14.076 10.653 802 H GLU 94 H GLU 94 -9.562 -12.791 15.637 803 HA GLU 94 HA GLU 94 -12.291 -12.588 14.793 804 HB2 GLU 94 1HB GLU 94 -11.205 -14.600 16.772 805 HB3 GLU 94 2HB GLU 94 -12.486 -14.804 15.555 806 HG2 GLU 94 1HG GLU 94 -10.571 -14.198 13.864 807 HG3 GLU 94 2HG GLU 94 -9.488 -14.648 15.188 808 H VAL 95 H VAL 95 -10.694 -11.537 17.646 809 HA VAL 95 HA VAL 95 -13.365 -11.127 18.945 810 HB VAL 95 HB VAL 95 -12.155 -10.888 21.101 811 HG11 VAL 95 1HG1 VAL 95 -11.531 -13.522 19.689 812 HG12 VAL 95 2HG1 VAL 95 -11.678 -13.264 21.443 813 HG13 VAL 95 3HG1 VAL 95 -13.101 -13.081 20.395 814 HG21 VAL 95 3HG2 VAL 95 -9.944 -10.180 20.208 815 HG22 VAL 95 1HG2 VAL 95 -9.807 -11.557 21.317 816 HG23 VAL 95 2HG2 VAL 95 -9.685 -11.821 19.565 817 H ASN 96 H ASN 96 -11.430 -9.657 16.911 818 HA ASN 96 HA ASN 96 -11.887 -6.950 18.107 819 HB2 ASN 96 1HB ASN 96 -9.415 -8.043 16.740 820 HB3 ASN 96 2HB ASN 96 -9.791 -6.315 16.744 821 HD21 ASN 96 2HD2 ASN 96 -8.567 -8.950 18.543 822 HD22 ASN 96 1HD2 ASN 96 -8.212 -8.035 19.997 823 HA PRO 97 HA PRO 97 -13.772 -7.743 13.987 824 HB2 PRO 97 1HB PRO 97 -16.107 -6.330 14.273 825 HB3 PRO 97 2HB PRO 97 -15.882 -8.000 14.887 826 HG2 PRO 97 1HG PRO 97 -15.574 -5.398 16.382 827 HG3 PRO 97 2HG PRO 97 -16.549 -6.840 16.820 828 HD2 PRO 97 1HD PRO 97 -14.105 -6.480 17.864 829 HD3 PRO 97 2HD PRO 97 -14.632 -8.117 17.332 830 H GLN 98 H GLN 98 -13.210 -4.639 15.613 831 HA GLN 98 HA GLN 98 -13.691 -3.048 13.254 832 HB2 GLN 98 1HB GLN 98 -12.553 -1.228 14.359 833 HB3 GLN 98 2HB GLN 98 -13.727 -1.976 15.438 834 HG2 GLN 98 1HG GLN 98 -10.755 -2.506 15.546 835 HG3 GLN 98 2HG GLN 98 -11.564 -1.246 16.471 836 HE21 GLN 98 2HE2 GLN 98 -12.811 -1.785 18.259 837 HE22 GLN 98 1HE2 GLN 98 -12.840 -3.404 18.917 838 H VAL 99 H VAL 99 -10.885 -4.824 14.524 839 HA VAL 99 HA VAL 99 -9.256 -3.751 12.334 840 HB VAL 99 HB VAL 99 -7.373 -4.641 13.296 841 HG11 VAL 99 1HG1 VAL 99 -8.515 -3.057 14.871 842 HG12 VAL 99 2HG1 VAL 99 -9.198 -4.453 15.738 843 HG13 VAL 99 3HG1 VAL 99 -7.447 -4.207 15.691 844 HG21 VAL 99 3HG2 VAL 99 -9.063 -6.821 14.550 845 HG22 VAL 99 1HG2 VAL 99 -7.853 -6.987 13.266 846 HG23 VAL 99 2HG2 VAL 99 -7.351 -6.568 14.911 847 H MET 100 H MET 100 -11.115 -6.683 13.066 848 HA MET 100 HA MET 100 -10.021 -8.324 11.026 849 HB2 MET 100 1HB MET 100 -11.744 -8.824 12.921 850 HB3 MET 100 2HB MET 100 -12.953 -8.359 11.729 851 HG2 MET 100 1HG MET 100 -11.225 -10.147 10.397 852 HG3 MET 100 2HG MET 100 -11.474 -10.833 12.011 853 HE1 MET 100 3HE MET 100 -12.823 -10.260 8.500 854 HE2 MET 100 1HE MET 100 -14.593 -10.382 8.646 855 HE3 MET 100 2HE MET 100 -13.752 -8.925 9.223 856 H ALA 101 H ALA 101 -12.641 -5.890 10.912 857 HA ALA 101 HA ALA 101 -13.361 -6.423 8.184 858 HB1 ALA 101 3HB ALA 101 -14.812 -5.160 9.688 859 HB2 ALA 101 1HB ALA 101 -13.576 -3.895 9.856 860 HB3 ALA 101 2HB ALA 101 -14.375 -4.153 8.287 861 H ALA 102 H ALA 102 -10.707 -4.652 9.672 862 HA ALA 102 HA ALA 102 -9.978 -3.212 7.251 863 HB1 ALA 102 3HB ALA 102 -8.108 -2.421 8.521 864 HB2 ALA 102 1HB ALA 102 -9.446 -2.515 9.680 865 HB3 ALA 102 2HB ALA 102 -8.197 -3.779 9.657 866 H VAL 103 H VAL 103 -9.130 -6.285 8.864 867 HA VAL 103 HA VAL 103 -6.904 -6.977 7.204 868 HB VAL 103 HB VAL 103 -8.974 -8.819 8.534 869 HG11 VAL 103 1HG1 VAL 103 -6.263 -9.484 7.340 870 HG12 VAL 103 2HG1 VAL 103 -7.231 -10.591 8.336 871 HG13 VAL 103 3HG1 VAL 103 -7.847 -10.047 6.764 872 HG21 VAL 103 3HG2 VAL 103 -7.286 -9.139 10.297 873 HG22 VAL 103 1HG2 VAL 103 -6.201 -7.992 9.481 874 HG23 VAL 103 2HG2 VAL 103 -7.740 -7.437 10.163 875 H ALA 104 H ALA 104 -10.389 -7.781 6.960 876 HA ALA 104 HA ALA 104 -10.186 -9.126 4.471 877 HB1 ALA 104 3HB ALA 104 -12.144 -9.303 5.958 878 HB2 ALA 104 1HB ALA 104 -12.545 -7.592 5.663 879 HB3 ALA 104 2HB ALA 104 -12.637 -8.774 4.334 880 H GLN 105 H GLN 105 -10.816 -5.659 5.197 881 HA GLN 105 HA GLN 105 -11.265 -4.937 2.468 882 HB2 GLN 105 1HB GLN 105 -10.495 -3.437 4.962 883 HB3 GLN 105 2HB GLN 105 -10.336 -2.646 3.380 884 HG2 GLN 105 1HG GLN 105 -12.747 -3.324 2.927 885 HG3 GLN 105 2HG GLN 105 -12.859 -3.735 4.643 886 HE21 GLN 105 2HE2 GLN 105 -13.337 -2.138 6.039 887 HE22 GLN 105 1HE2 GLN 105 -13.337 -0.428 5.641 888 H THR 106 H THR 106 -8.202 -5.244 4.367 889 HA THR 106 HA THR 106 -6.663 -3.943 2.301 890 HB THR 106 HB THR 106 -5.664 -6.006 4.302 891 HG1 THR 106 HG1 THR 106 -6.755 -4.324 5.373 892 HG21 THR 106 1HG2 THR 106 -4.056 -5.383 2.533 893 HG22 THR 106 2HG2 THR 106 -3.576 -4.712 4.100 894 HG23 THR 106 3HG2 THR 106 -4.336 -3.664 2.891 895 H GLU 107 H GLU 107 -7.588 -7.333 3.013 896 HA GLU 107 HA GLU 107 -5.979 -8.547 1.001 897 HB2 GLU 107 1HB GLU 107 -8.660 -9.324 2.192 898 HB3 GLU 107 2HB GLU 107 -7.772 -10.347 1.056 899 HG2 GLU 107 1HG GLU 107 -5.891 -10.479 2.574 900 HG3 GLU 107 2HG GLU 107 -6.679 -9.379 3.706 901 H GLU 108 H GLU 108 -9.269 -7.114 0.828 902 HA GLU 108 HA GLU 108 -9.618 -7.877 -1.932 903 HB2 GLU 108 1HB GLU 108 -11.000 -5.849 -0.166 904 HB3 GLU 108 2HB GLU 108 -11.473 -6.152 -1.843 905 HG2 GLU 108 1HG GLU 108 -11.412 -8.268 0.339 906 HG3 GLU 108 2HG GLU 108 -12.858 -7.397 -0.191 907 H ILE 109 H ILE 109 -8.377 -4.888 -0.400 908 HA ILE 109 HA ILE 109 -8.278 -3.373 -2.860 909 HB ILE 109 HB ILE 109 -6.684 -3.144 -0.259 910 HG12 ILE 109 1HG1 ILE 109 -8.821 -1.276 -1.346 911 HG13 ILE 109 2HG1 ILE 109 -9.250 -2.705 -0.412 912 HG21 ILE 109 1HG2 ILE 109 -6.025 -0.839 -1.069 913 HG22 ILE 109 2HG2 ILE 109 -5.317 -2.125 -2.060 914 HG23 ILE 109 3HG2 ILE 109 -6.728 -1.221 -2.657 915 HD11 ILE 109 3HD1 ILE 109 -7.626 -0.329 0.546 916 HD12 ILE 109 1HD1 ILE 109 -9.233 -0.853 1.094 917 HD13 ILE 109 2HD1 ILE 109 -7.806 -1.844 1.469 918 H LEU 110 H LEU 110 -6.106 -5.691 -1.282 919 HA LEU 110 HA LEU 110 -3.852 -5.308 -2.985 920 HB2 LEU 110 1HB LEU 110 -4.875 -7.321 -1.080 921 HB3 LEU 110 2HB LEU 110 -3.799 -7.966 -2.300 922 HG LEU 110 HG LEU 110 -1.976 -6.728 -1.548 923 HD11 LEU 110 1HD1 LEU 110 -3.814 -5.031 0.166 924 HD12 LEU 110 2HD1 LEU 110 -2.840 -4.493 -1.215 925 HD13 LEU 110 3HD1 LEU 110 -2.043 -5.025 0.274 926 HD21 LEU 110 3HD2 LEU 110 -3.615 -7.574 0.867 927 HD22 LEU 110 1HD2 LEU 110 -1.849 -7.350 0.854 928 HD23 LEU 110 2HD2 LEU 110 -2.588 -8.627 -0.135 929 H LYS 111 H LYS 111 -6.908 -6.929 -3.626 930 HA LYS 111 HA LYS 111 -5.885 -8.676 -5.704 931 HB2 LYS 111 1HB LYS 111 -8.686 -7.522 -5.464 932 HB3 LYS 111 2HB LYS 111 -8.217 -8.979 -6.340 933 HG2 LYS 111 1HG LYS 111 -8.031 -8.625 -3.340 934 HG3 LYS 111 2HG LYS 111 -9.384 -9.389 -4.164 935 HD2 LYS 111 1HD LYS 111 -8.015 -11.214 -4.906 936 HD3 LYS 111 2HD LYS 111 -6.526 -10.390 -4.405 937 HE2 LYS 111 1HE LYS 111 -7.154 -12.131 -2.786 938 HE3 LYS 111 2HE LYS 111 -7.167 -10.521 -2.063 939 HZ1 LYS 111 3HZ LYS 111 -9.579 -10.495 -2.254 940 HZ2 LYS 111 1HZ LYS 111 -9.076 -11.798 -1.381 941 HZ3 LYS 111 2HZ LYS 111 -9.576 -11.993 -2.939 942 H SER 112 H SER 112 -6.634 -5.300 -5.548 943 HA SER 112 HA SER 112 -7.004 -4.983 -8.446 944 HB2 SER 112 1HB SER 112 -8.045 -3.569 -6.596 945 HB3 SER 112 2HB SER 112 -6.449 -2.848 -6.361 946 HG SER 112 HG SER 112 -6.536 -2.384 -8.689 947 H ASN 113 H ASN 113 -4.405 -5.360 -6.338 948 HA ASN 113 HA ASN 113 -2.622 -3.537 -7.842 949 HB2 ASN 113 1HB ASN 113 -2.858 -4.314 -5.138 950 HB3 ASN 113 2HB ASN 113 -1.317 -4.973 -5.704 951 HD21 ASN 113 2HD2 ASN 113 -2.827 -2.316 -4.417 952 HD22 ASN 113 1HD2 ASN 113 -1.673 -1.077 -4.849 953 H SER 114 H SER 114 -0.334 -4.316 -8.150 954 HA SER 114 HA SER 114 -0.175 -7.162 -9.020 955 HB2 SER 114 1HB SER 114 0.358 -4.705 -10.750 956 HB3 SER 114 2HB SER 114 0.819 -6.363 -11.181 957 HG SER 114 HG SER 114 -1.821 -6.029 -10.430 958 H GLN 115 H GLN 115 2.363 -7.042 -10.127 959 HA GLN 115 HA GLN 115 4.081 -6.653 -7.878 960 HB2 GLN 115 1HB GLN 115 5.937 -6.823 -9.548 961 HB3 GLN 115 2HB GLN 115 4.777 -8.150 -9.604 962 HG2 GLN 115 1HG GLN 115 3.724 -7.194 -11.612 963 HG3 GLN 115 2HG GLN 115 4.813 -5.802 -11.543 964 HE21 GLN 115 2HE2 GLN 115 5.556 -9.264 -11.051 965 HE22 GLN 115 1HE2 GLN 115 6.663 -9.367 -12.397 966 H THR 116 H THR 116 3.111 -4.559 -10.537 967 HA THR 116 HA THR 116 3.431 -2.360 -10.981 968 HB THR 116 HB THR 116 3.334 -1.887 -8.015 969 HG1 THR 116 HG1 THR 116 1.647 -3.150 -7.985 970 HG21 THR 116 1HG2 THR 116 3.326 0.008 -9.652 971 HG22 THR 116 2HG2 THR 116 1.810 -0.113 -8.723 972 HG23 THR 116 3HG2 THR 116 1.877 -0.697 -10.402 973 H ASP 117 H ASP 117 5.791 -3.568 -11.082 974 HA ASP 117 HA ASP 117 7.803 -1.961 -9.673 975 HB2 ASP 117 1HB ASP 117 7.883 -4.262 -11.629 976 HB3 ASP 117 2HB ASP 117 9.325 -3.275 -11.334 977 H LEU 118 H LEU 118 8.850 -0.279 -10.541 978 HA LEU 118 HA LEU 118 8.612 0.498 -13.347 979 HB2 LEU 118 1HB LEU 118 7.519 2.664 -12.728 980 HB3 LEU 118 2HB LEU 118 6.481 1.263 -12.672 981 HG LEU 118 HG LEU 118 6.776 1.285 -10.130 982 HD11 LEU 118 1HD1 LEU 118 7.224 3.550 -9.164 983 HD12 LEU 118 2HD1 LEU 118 7.777 4.099 -10.763 984 HD13 LEU 118 3HD1 LEU 118 8.667 2.827 -9.904 985 HD21 LEU 118 3HD2 LEU 118 4.996 2.976 -9.922 986 HD22 LEU 118 1HD2 LEU 118 4.740 1.933 -11.331 987 HD23 LEU 118 2HD2 LEU 118 5.374 3.581 -11.555 988 H GLU 119 H GLU 119 9.590 2.940 -13.325 989 HA GLU 119 HA GLU 119 12.223 2.666 -12.204 990 HB2 GLU 119 1HB GLU 119 12.573 4.970 -13.068 991 HB3 GLU 119 2HB GLU 119 11.967 3.822 -14.258 992 HG2 GLU 119 1HG GLU 119 9.910 5.486 -12.858 993 HG3 GLU 119 2HG GLU 119 10.998 6.319 -13.979 994 H HIS 120 H HIS 120 11.372 2.285 -9.951 995 HA HIS 120 HA HIS 120 10.621 4.430 -8.204 996 HB2 HIS 120 1HB HIS 120 11.605 1.682 -8.021 997 HB3 HIS 120 2HB HIS 120 12.427 2.692 -6.830 998 HD1 HIS 120 HD1 HIS 120 8.764 2.062 -7.941 999 HD2 HIS 120 HD2 HIS 120 11.037 2.789 -4.484 1000 HE1 HIS 120 HE1 HIS 120 7.166 1.956 -5.957 1001 H HIS 121 H HIS 121 11.732 6.325 -8.126 1002 HA HIS 121 HA HIS 121 14.312 6.571 -9.238 1003 HB2 HIS 121 1HB HIS 121 12.846 8.551 -7.471 1004 HB3 HIS 121 2HB HIS 121 14.214 8.908 -8.537 1005 HD1 HIS 121 HD1 HIS 121 13.607 7.905 -11.223 1006 HD2 HIS 121 HD2 HIS 121 10.508 9.236 -8.727 1007 HE1 HIS 121 HE1 HIS 121 11.617 8.431 -12.723 1008 H HIS 122 H HIS 122 13.689 5.365 -6.183 1009 HA HIS 122 HA HIS 122 15.101 4.743 -4.472 1010 HB2 HIS 122 1HB HIS 122 15.896 3.868 -6.889 1011 HB3 HIS 122 2HB HIS 122 17.367 4.720 -6.432 1012 HD1 HIS 122 HD1 HIS 122 15.484 1.559 -5.910 1013 HD2 HIS 122 HD2 HIS 122 18.577 3.641 -3.988 1014 HE1 HIS 122 HE1 HIS 122 16.599 -0.086 -4.313 1015 H HIS 123 H HIS 123 15.070 7.680 -4.515 1016 HA HIS 123 HA HIS 123 17.703 8.720 -4.583 1017 HB2 HIS 123 1HB HIS 123 16.759 10.780 -3.898 1018 HB3 HIS 123 2HB HIS 123 15.559 9.977 -4.912 1019 HD1 HIS 123 HD1 HIS 123 14.303 12.081 -3.301 1020 HD2 HIS 123 HD2 HIS 123 15.039 8.313 -1.607 1021 HE1 HIS 123 HE1 HIS 123 12.778 11.858 -1.267 1022 H HIS 124 H HIS 124 16.900 6.616 -2.264 1023 HA HIS 124 HA HIS 124 17.227 6.300 -0.033 1024 HB2 HIS 124 1HB HIS 124 19.595 6.336 -1.042 1025 HB3 HIS 124 2HB HIS 124 19.793 7.894 -0.259 1026 HD1 HIS 124 HD1 HIS 124 18.611 7.476 2.574 1027 HD2 HIS 124 HD2 HIS 124 20.804 4.497 0.537 1028 HE1 HIS 124 HE1 HIS 124 19.507 5.868 4.320 1029 H HIS 125 H HIS 125 19.055 9.204 0.581 1030 HA HIS 125 HA HIS 125 18.671 10.876 2.099 1031 HB2 HIS 125 1HB HIS 125 16.178 10.931 0.409 1032 HB3 HIS 125 2HB HIS 125 16.249 11.933 1.856 1033 HD1 HIS 125 HD1 HIS 125 17.622 14.073 1.807 1034 HD2 HIS 125 HD2 HIS 125 18.177 11.671 -1.585 1035 HE1 HIS 125 HE1 HIS 125 18.965 15.455 0.129 Start of MODEL 34 1 H21 MYR 1 1H2 MYR 1 0.802 0.518 -0.630 2 H22 MYR 1 2H2 MYR 1 2.084 0.087 0.487 3 H31 MYR 1 1H3 MYR 1 -0.633 -1.370 0.390 4 H32 MYR 1 2H3 MYR 1 0.762 -1.887 -0.540 5 H41 MYR 1 1H4 MYR 1 2.040 -1.902 1.787 6 H42 MYR 1 2H4 MYR 1 0.427 -1.833 2.488 7 H51 MYR 1 1H5 MYR 1 -0.087 -3.955 0.976 8 H52 MYR 1 2H5 MYR 1 1.649 -4.023 0.723 9 H61 MYR 1 1H6 MYR 1 1.399 -5.459 2.566 10 H62 MYR 1 2H6 MYR 1 1.842 -3.946 3.342 11 H71 MYR 1 1H7 MYR 1 -0.754 -3.525 3.569 12 H72 MYR 1 2H7 MYR 1 -0.932 -5.229 3.163 13 H81 MYR 1 1H8 MYR 1 0.533 -5.835 5.128 14 H82 MYR 1 2H8 MYR 1 0.713 -4.119 5.509 15 H91 MYR 1 1H9 MYR 1 -1.916 -5.710 5.519 16 H92 MYR 1 2H9 MYR 1 -1.818 -3.963 5.749 17 H101 MYR 1 1H10 MYR 1 -0.261 -4.382 7.732 18 H102 MYR 1 2H10 MYR 1 -0.584 -6.104 7.573 19 H111 MYR 1 1H11 MYR 1 -1.982 -4.603 9.265 20 H112 MYR 1 2H11 MYR 1 -2.892 -4.100 7.856 21 H121 MYR 1 1H12 MYR 1 -3.671 -6.371 7.417 22 H122 MYR 1 2H12 MYR 1 -2.529 -7.051 8.567 23 H131 MYR 1 1H13 MYR 1 -4.619 -7.089 9.705 24 H132 MYR 1 2H13 MYR 1 -3.744 -5.762 10.438 25 H141 MYR 1 1H14 MYR 1 -6.157 -5.201 9.963 26 H142 MYR 1 2H14 MYR 1 -5.060 -4.110 9.103 27 H143 MYR 1 3H14 MYR 1 -5.867 -5.427 8.229 28 H GLY 2 H GLY 2 2.085 1.009 2.403 29 HA2 GLY 2 1HA GLY 2 -0.143 1.696 4.030 30 HA3 GLY 2 2HA GLY 2 1.499 2.344 4.177 31 H GLN 3 H GLN 3 1.720 3.538 1.608 32 HA GLN 3 HA GLN 3 0.328 6.029 2.119 33 HB2 GLN 3 1HB GLN 3 1.791 4.990 -0.337 34 HB3 GLN 3 2HB GLN 3 1.219 6.652 -0.142 35 HG2 GLN 3 1HG GLN 3 3.219 5.318 1.720 36 HG3 GLN 3 2HG GLN 3 3.662 6.312 0.330 37 HE21 GLN 3 2HE2 GLN 3 3.469 8.514 0.427 38 HE22 GLN 3 1HE2 GLN 3 3.081 9.366 1.902 39 H GLU 4 H GLU 4 -0.217 3.261 -0.069 40 HA GLU 4 HA GLU 4 -2.344 4.520 -1.531 41 HB2 GLU 4 1HB GLU 4 -2.129 2.705 -2.820 42 HB3 GLU 4 2HB GLU 4 -0.795 2.260 -1.765 43 HG2 GLU 4 1HG GLU 4 -2.633 0.995 -0.375 44 HG3 GLU 4 2HG GLU 4 -3.615 1.157 -1.830 45 H LEU 5 H LEU 5 -2.190 2.600 1.442 46 HA LEU 5 HA LEU 5 -5.062 2.345 1.698 47 HB2 LEU 5 1HB LEU 5 -2.781 2.043 3.672 48 HB3 LEU 5 2HB LEU 5 -4.461 1.690 4.064 49 HG LEU 5 HG LEU 5 -2.942 0.311 1.828 50 HD11 LEU 5 1HD1 LEU 5 -2.677 -1.581 3.338 51 HD12 LEU 5 2HD1 LEU 5 -3.426 -0.647 4.657 52 HD13 LEU 5 3HD1 LEU 5 -1.864 -0.136 3.966 53 HD21 LEU 5 3HD2 LEU 5 -5.475 -0.561 3.236 54 HD22 LEU 5 1HD2 LEU 5 -4.673 -1.346 1.860 55 HD23 LEU 5 2HD2 LEU 5 -5.421 0.244 1.654 56 H SER 6 H SER 6 -2.627 4.605 3.084 57 HA SER 6 HA SER 6 -4.438 6.216 4.579 58 HB2 SER 6 1HB SER 6 -1.990 7.097 2.987 59 HB3 SER 6 2HB SER 6 -2.765 8.002 4.300 60 HG SER 6 HG SER 6 -1.330 5.563 4.420 61 H GLN 7 H GLN 7 -3.851 6.082 1.081 62 HA GLN 7 HA GLN 7 -5.302 8.601 0.614 63 HB2 GLN 7 1HB GLN 7 -4.118 6.461 -1.166 64 HB3 GLN 7 2HB GLN 7 -5.056 7.818 -1.813 65 HG2 GLN 7 1HG GLN 7 -3.470 9.430 -0.944 66 HG3 GLN 7 2HG GLN 7 -2.578 8.170 -0.090 67 HE21 GLN 7 2HE2 GLN 7 -3.509 6.828 -2.989 68 HE22 GLN 7 1HE2 GLN 7 -2.073 7.178 -3.915 69 H HIS 8 H HIS 8 -6.136 5.241 0.987 70 HA HIS 8 HA HIS 8 -8.540 5.457 -0.677 71 HB2 HIS 8 1HB HIS 8 -7.127 3.355 -0.267 72 HB3 HIS 8 2HB HIS 8 -7.890 3.259 1.308 73 HD1 HIS 8 HD1 HIS 8 -9.117 1.005 0.660 74 HD2 HIS 8 HD2 HIS 8 -10.080 4.267 -1.790 75 HE1 HIS 8 HE1 HIS 8 -11.142 0.322 -0.731 76 H GLU 9 H GLU 9 -9.789 7.127 0.244 77 HA GLU 9 HA GLU 9 -10.204 7.617 2.923 78 HB2 GLU 9 1HB GLU 9 -12.544 8.492 2.149 79 HB3 GLU 9 2HB GLU 9 -11.055 9.277 1.641 80 HG2 GLU 9 1HG GLU 9 -12.428 9.231 -0.281 81 HG3 GLU 9 2HG GLU 9 -11.215 7.981 -0.555 82 H ARG 10 H ARG 10 -12.121 5.239 1.036 83 HA ARG 10 HA ARG 10 -13.996 4.709 3.104 84 HB2 ARG 10 1HB ARG 10 -13.532 3.846 0.526 85 HB3 ARG 10 2HB ARG 10 -13.158 2.397 1.450 86 HG2 ARG 10 1HG ARG 10 -15.478 2.355 0.742 87 HG3 ARG 10 2HG ARG 10 -15.399 2.489 2.506 88 HD2 ARG 10 1HD ARG 10 -17.144 3.973 1.519 89 HD3 ARG 10 2HD ARG 10 -15.913 4.871 2.408 90 HE ARG 10 HE ARG 10 -15.131 5.853 0.436 91 HH11 ARG 10 1HH1 ARG 10 -17.635 3.478 -0.386 92 HH12 ARG 10 2HH1 ARG 10 -17.781 4.087 -2.011 93 HH21 ARG 10 1HH2 ARG 10 -15.366 6.545 -1.579 94 HH22 ARG 10 2HH2 ARG 10 -16.503 5.803 -2.689 95 H TYR 11 H TYR 11 -10.750 3.384 2.590 96 HA TYR 11 HA TYR 11 -11.084 1.390 4.706 97 HB2 TYR 11 1HB TYR 11 -9.603 1.007 2.787 98 HB3 TYR 11 2HB TYR 11 -8.621 2.403 3.247 99 HD1 TYR 11 HD2 TYR 11 -9.938 -0.774 4.811 100 HD2 TYR 11 HD1 TYR 11 -6.668 1.989 4.440 101 HE1 TYR 11 HE2 TYR 11 -8.546 -2.214 6.286 102 HE2 TYR 11 HE1 TYR 11 -5.279 0.520 5.902 103 HH TYR 11 HH TYR 11 -5.160 -1.431 7.065 104 H VAL 12 H VAL 12 -9.592 4.604 4.279 105 HA VAL 12 HA VAL 12 -8.400 4.822 6.857 106 HB VAL 12 HB VAL 12 -9.668 6.968 5.088 107 HG11 VAL 12 1HG1 VAL 12 -8.317 8.600 6.370 108 HG12 VAL 12 2HG1 VAL 12 -9.517 7.803 7.407 109 HG13 VAL 12 3HG1 VAL 12 -7.810 7.310 7.478 110 HG21 VAL 12 3HG2 VAL 12 -6.756 6.190 5.512 111 HG22 VAL 12 1HG2 VAL 12 -7.732 5.739 4.106 112 HG23 VAL 12 2HG2 VAL 12 -7.375 7.443 4.412 113 H GLU 13 H GLU 13 -11.797 5.339 5.784 114 HA GLU 13 HA GLU 13 -12.755 6.423 8.190 115 HB2 GLU 13 1HB GLU 13 -13.915 6.303 5.980 116 HB3 GLU 13 2HB GLU 13 -14.185 4.583 6.258 117 HG2 GLU 13 1HG GLU 13 -16.157 5.820 6.799 118 HG3 GLU 13 2HG GLU 13 -15.466 5.107 8.263 119 H GLN 14 H GLN 14 -12.430 2.990 7.184 120 HA GLN 14 HA GLN 14 -13.566 2.033 9.661 121 HB2 GLN 14 1HB GLN 14 -13.593 0.095 8.593 122 HB3 GLN 14 2HB GLN 14 -12.960 0.943 7.194 123 HG2 GLN 14 1HG GLN 14 -11.704 -1.075 7.513 124 HG3 GLN 14 2HG GLN 14 -10.641 0.294 7.875 125 HE21 GLN 14 2HE2 GLN 14 -12.976 -1.832 9.547 126 HE22 GLN 14 1HE2 GLN 14 -11.958 -2.116 10.945 127 H LEU 15 H LEU 15 -10.229 2.703 8.530 128 HA LEU 15 HA LEU 15 -8.956 1.571 10.823 129 HB2 LEU 15 1HB LEU 15 -8.161 3.590 8.761 130 HB3 LEU 15 2HB LEU 15 -7.166 3.374 10.186 131 HG LEU 15 HG LEU 15 -7.706 1.321 8.037 132 HD11 LEU 15 1HD1 LEU 15 -5.204 1.592 7.801 133 HD12 LEU 15 2HD1 LEU 15 -5.273 2.904 8.991 134 HD13 LEU 15 3HD1 LEU 15 -6.120 3.064 7.430 135 HD21 LEU 15 3HD2 LEU 15 -6.172 1.039 10.659 136 HD22 LEU 15 1HD2 LEU 15 -6.031 -0.081 9.284 137 HD23 LEU 15 2HD2 LEU 15 -7.578 0.085 10.126 138 H LYS 16 H LYS 16 -10.603 4.645 10.419 139 HA LYS 16 HA LYS 16 -9.326 5.999 12.617 140 HB2 LYS 16 1HB LYS 16 -12.036 6.238 11.314 141 HB3 LYS 16 2HB LYS 16 -11.669 7.133 12.788 142 HG2 LYS 16 1HG LYS 16 -9.698 8.161 11.664 143 HG3 LYS 16 2HG LYS 16 -10.164 7.366 10.155 144 HD2 LYS 16 1HD LYS 16 -12.000 9.251 11.686 145 HD3 LYS 16 2HD LYS 16 -10.903 9.789 10.397 146 HE2 LYS 16 1HE LYS 16 -11.989 8.263 8.811 147 HE3 LYS 16 2HE LYS 16 -13.073 7.688 10.084 148 HZ1 LYS 16 3HZ LYS 16 -14.018 9.899 10.212 149 HZ2 LYS 16 1HZ LYS 16 -14.159 9.282 8.691 150 HZ3 LYS 16 2HZ LYS 16 -13.022 10.441 9.008 151 H GLN 17 H GLN 17 -11.594 3.342 12.477 152 HA GLN 17 HA GLN 17 -12.217 3.567 15.356 153 HB2 GLN 17 1HB GLN 17 -12.734 1.305 13.388 154 HB3 GLN 17 2HB GLN 17 -13.376 1.429 15.025 155 HG2 GLN 17 1HG GLN 17 -14.677 3.407 14.385 156 HG3 GLN 17 2HG GLN 17 -13.981 3.360 12.757 157 HE21 GLN 17 2HE2 GLN 17 -15.734 2.942 11.532 158 HE22 GLN 17 1HE2 GLN 17 -16.725 1.513 11.706 159 H ALA 18 H ALA 18 -10.438 1.286 13.175 160 HA ALA 18 HA ALA 18 -9.542 -0.397 15.229 161 HB1 ALA 18 3HB ALA 18 -9.536 -1.016 12.870 162 HB2 ALA 18 1HB ALA 18 -8.235 0.157 12.545 163 HB3 ALA 18 2HB ALA 18 -7.921 -1.253 13.590 164 H LEU 19 H LEU 19 -7.813 2.495 13.928 165 HA LEU 19 HA LEU 19 -5.384 2.005 15.383 166 HB2 LEU 19 1HB LEU 19 -6.605 4.290 13.954 167 HB3 LEU 19 2HB LEU 19 -5.659 4.769 15.355 168 HG LEU 19 HG LEU 19 -3.767 3.316 14.357 169 HD11 LEU 19 1HD1 LEU 19 -3.724 3.266 11.853 170 HD12 LEU 19 2HD1 LEU 19 -5.440 3.757 11.846 171 HD13 LEU 19 3HD1 LEU 19 -4.968 2.192 12.549 172 HD21 LEU 19 3HD2 LEU 19 -3.657 5.756 14.519 173 HD22 LEU 19 1HD2 LEU 19 -4.594 5.913 13.014 174 HD23 LEU 19 2HD2 LEU 19 -2.961 5.204 12.976 175 H LYS 20 H LYS 20 -8.480 3.520 16.293 176 HA LYS 20 HA LYS 20 -7.481 4.438 18.871 177 HB2 LYS 20 1HB LYS 20 -10.292 4.141 17.768 178 HB3 LYS 20 2HB LYS 20 -9.915 4.808 19.359 179 HG2 LYS 20 1HG LYS 20 -8.586 6.593 18.292 180 HG3 LYS 20 2HG LYS 20 -9.031 5.944 16.699 181 HD2 LYS 20 1HD LYS 20 -11.437 6.255 17.276 182 HD3 LYS 20 2HD LYS 20 -10.957 6.953 18.835 183 HE2 LYS 20 1HE LYS 20 -11.479 8.742 17.283 184 HE3 LYS 20 2HE LYS 20 -9.732 8.753 17.616 185 HZ1 LYS 20 3HZ LYS 20 -10.358 8.962 15.223 186 HZ2 LYS 20 1HZ LYS 20 -10.923 7.407 15.264 187 HZ3 LYS 20 2HZ LYS 20 -9.331 7.708 15.537 188 H THR 21 H THR 21 -9.281 1.514 17.785 189 HA THR 21 HA THR 21 -10.021 0.761 20.457 190 HB THR 21 HB THR 21 -10.283 -1.568 19.443 191 HG1 THR 21 HG1 THR 21 -8.805 -1.440 17.759 192 HG21 THR 21 1HG2 THR 21 -11.609 0.729 17.952 193 HG22 THR 21 2HG2 THR 21 -12.140 0.070 19.517 194 HG23 THR 21 3HG2 THR 21 -12.197 -0.942 18.060 195 H ARG 22 H ARG 22 -7.006 0.347 18.666 196 HA ARG 22 HA ARG 22 -5.974 -1.653 20.533 197 HB2 ARG 22 1HB ARG 22 -5.193 -0.829 18.077 198 HB3 ARG 22 2HB ARG 22 -4.081 0.109 19.074 199 HG2 ARG 22 1HG ARG 22 -4.398 -2.841 19.602 200 HG3 ARG 22 2HG ARG 22 -3.438 -2.308 18.213 201 HD2 ARG 22 1HD ARG 22 -1.780 -1.401 19.506 202 HD3 ARG 22 2HD ARG 22 -2.845 -1.023 20.849 203 HE ARG 22 HE ARG 22 -1.499 -3.606 20.300 204 HH11 ARG 22 1HH1 ARG 22 -3.746 -1.828 22.420 205 HH12 ARG 22 2HH1 ARG 22 -3.643 -3.056 23.658 206 HH21 ARG 22 1HH2 ARG 22 -1.447 -5.090 21.922 207 HH22 ARG 22 2HH2 ARG 22 -2.365 -4.839 23.392 208 H GLY 23 H GLY 23 -6.447 1.784 20.586 209 HA2 GLY 23 1HA GLY 23 -6.077 3.263 22.324 210 HA3 GLY 23 2HA GLY 23 -5.375 1.943 23.279 211 H VAL 24 H VAL 24 -4.067 2.302 20.121 212 HA VAL 24 HA VAL 24 -1.535 3.129 21.342 213 HB VAL 24 HB VAL 24 -1.516 1.223 19.794 214 HG11 VAL 24 1HG1 VAL 24 -2.314 3.146 17.567 215 HG12 VAL 24 2HG1 VAL 24 -1.935 1.419 17.405 216 HG13 VAL 24 3HG1 VAL 24 -3.382 1.932 18.287 217 HG21 VAL 24 3HG2 VAL 24 0.353 1.948 18.353 218 HG22 VAL 24 1HG2 VAL 24 -0.039 3.641 18.706 219 HG23 VAL 24 2HG2 VAL 24 0.509 2.563 20.010 220 H LYS 25 H LYS 25 -0.851 5.131 21.433 221 HA LYS 25 HA LYS 25 -2.404 7.222 20.065 222 HB2 LYS 25 1HB LYS 25 -0.790 8.725 21.388 223 HB3 LYS 25 2HB LYS 25 -1.968 7.773 22.294 224 HG2 LYS 25 1HG LYS 25 -0.270 6.149 22.946 225 HG3 LYS 25 2HG LYS 25 0.934 6.935 21.910 226 HD2 LYS 25 1HD LYS 25 0.709 9.005 23.266 227 HD3 LYS 25 2HD LYS 25 -0.400 8.138 24.352 228 HE2 LYS 25 1HE LYS 25 1.373 6.481 24.836 229 HE3 LYS 25 2HE LYS 25 2.476 7.334 23.737 230 HZ1 LYS 25 3HZ LYS 25 1.300 8.476 26.207 231 HZ2 LYS 25 1HZ LYS 25 2.325 9.267 25.183 232 HZ3 LYS 25 2HZ LYS 25 2.858 7.958 26.035 233 H VAL 26 H VAL 26 -1.811 6.736 17.897 234 HA VAL 26 HA VAL 26 0.720 8.101 17.138 235 HB VAL 26 HB VAL 26 1.065 6.392 15.311 236 HG11 VAL 26 1HG1 VAL 26 2.180 4.702 16.709 237 HG12 VAL 26 2HG1 VAL 26 2.474 6.347 17.311 238 HG13 VAL 26 3HG1 VAL 26 1.302 5.299 18.133 239 HG21 VAL 26 3HG2 VAL 26 -0.953 4.755 16.888 240 HG22 VAL 26 1HG2 VAL 26 -1.151 5.375 15.236 241 HG23 VAL 26 2HG2 VAL 26 0.070 4.135 15.579 242 H LYS 27 H LYS 27 0.689 8.845 14.929 243 HA LYS 27 HA LYS 27 -2.032 9.644 14.054 244 HB2 LYS 27 1HB LYS 27 0.113 11.089 14.162 245 HB3 LYS 27 2HB LYS 27 0.675 10.176 12.767 246 HG2 LYS 27 1HG LYS 27 -1.168 11.043 11.419 247 HG3 LYS 27 2HG LYS 27 -1.824 11.890 12.842 248 HD2 LYS 27 1HD LYS 27 0.316 13.143 13.053 249 HD3 LYS 27 2HD LYS 27 0.925 12.330 11.601 250 HE2 LYS 27 1HE LYS 27 -0.905 13.340 10.272 251 HE3 LYS 27 2HE LYS 27 -1.507 14.158 11.734 252 HZ1 LYS 27 3HZ LYS 27 -0.082 15.620 10.427 253 HZ2 LYS 27 1HZ LYS 27 1.178 14.559 10.526 254 HZ3 LYS 27 2HZ LYS 27 0.626 15.310 11.885 255 H PHE 28 H PHE 28 -2.651 9.187 11.743 256 HA PHE 28 HA PHE 28 -2.229 6.470 10.913 257 HB2 PHE 28 1HB PHE 28 -3.200 9.030 9.577 258 HB3 PHE 28 2HB PHE 28 -2.881 7.602 8.589 259 HD1 PHE 28 HD1 PHE 28 -4.780 8.521 11.731 260 HD2 PHE 28 HD2 PHE 28 -4.591 6.172 8.131 261 HE1 PHE 28 HE1 PHE 28 -7.050 7.613 12.200 262 HE2 PHE 28 HE2 PHE 28 -6.846 5.290 8.582 263 HZ PHE 28 HZ PHE 28 -8.084 6.001 10.608 264 H ALA 29 H ALA 29 -0.595 9.519 10.093 265 HA ALA 29 HA ALA 29 0.996 8.551 7.968 266 HB1 ALA 29 3HB ALA 29 1.719 10.636 10.079 267 HB2 ALA 29 1HB ALA 29 2.444 10.465 8.463 268 HB3 ALA 29 2HB ALA 29 0.742 10.959 8.614 269 H ASP 30 H ASP 30 1.386 8.404 11.484 270 HA ASP 30 HA ASP 30 4.123 7.550 11.420 271 HB2 ASP 30 1HB ASP 30 2.054 7.110 13.596 272 HB3 ASP 30 2HB ASP 30 3.805 7.061 13.797 273 H LEU 31 H LEU 31 0.947 5.933 11.549 274 HA LEU 31 HA LEU 31 2.191 3.357 12.014 275 HB2 LEU 31 1HB LEU 31 -0.305 4.386 12.521 276 HB3 LEU 31 2HB LEU 31 -0.609 3.271 11.172 277 HG LEU 31 HG LEU 31 0.834 2.584 13.782 278 HD11 LEU 31 1HD1 LEU 31 -1.151 1.278 14.330 279 HD12 LEU 31 2HD1 LEU 31 -1.929 1.786 12.813 280 HD13 LEU 31 3HD1 LEU 31 -1.572 2.982 14.081 281 HD21 LEU 31 3HD2 LEU 31 0.546 0.207 13.012 282 HD22 LEU 31 1HD2 LEU 31 1.684 1.143 12.028 283 HD23 LEU 31 2HD2 LEU 31 0.038 0.839 11.431 284 H LEU 32 H LEU 32 0.228 4.681 9.311 285 HA LEU 32 HA LEU 32 0.616 2.353 7.684 286 HB2 LEU 32 1HB LEU 32 -0.080 5.211 7.025 287 HB3 LEU 32 2HB LEU 32 0.210 4.039 5.766 288 HG LEU 32 HG LEU 32 -2.084 4.150 5.935 289 HD11 LEU 32 1HD1 LEU 32 -1.484 1.749 7.660 290 HD12 LEU 32 2HD1 LEU 32 -1.288 1.818 5.891 291 HD13 LEU 32 3HD1 LEU 32 -2.894 2.016 6.606 292 HD21 LEU 32 3HD2 LEU 32 -3.375 4.070 7.927 293 HD22 LEU 32 1HD2 LEU 32 -2.186 5.383 7.976 294 HD23 LEU 32 2HD2 LEU 32 -1.893 3.894 8.908 295 H LYS 33 H LYS 33 2.804 5.002 8.321 296 HA LYS 33 HA LYS 33 4.500 4.791 6.044 297 HB2 LYS 33 1HB LYS 33 4.889 6.433 7.814 298 HB3 LYS 33 2HB LYS 33 5.255 5.150 8.975 299 HG2 LYS 33 1HG LYS 33 7.248 4.535 7.715 300 HG3 LYS 33 2HG LYS 33 6.851 5.725 6.461 301 HD2 LYS 33 1HD LYS 33 7.129 7.548 8.068 302 HD3 LYS 33 2HD LYS 33 7.412 6.380 9.377 303 HE2 LYS 33 1HE LYS 33 9.549 7.284 8.570 304 HE3 LYS 33 2HE LYS 33 9.428 5.547 8.224 305 HZ1 LYS 33 3HZ LYS 33 8.825 6.099 5.944 306 HZ2 LYS 33 1HZ LYS 33 10.283 6.767 6.322 307 HZ3 LYS 33 2HZ LYS 33 8.933 7.714 6.258 308 H PHE 34 H PHE 34 4.199 2.668 8.885 309 HA PHE 34 HA PHE 34 6.454 1.036 8.023 310 HB2 PHE 34 1HB PHE 34 4.464 0.865 10.272 311 HB3 PHE 34 2HB PHE 34 5.639 -0.409 9.959 312 HD1 PHE 34 HD2 PHE 34 5.202 3.100 10.989 313 HD2 PHE 34 HD1 PHE 34 8.027 -0.066 10.335 314 HE1 PHE 34 HE2 PHE 34 6.947 4.448 12.128 315 HE2 PHE 34 HE1 PHE 34 9.794 1.269 11.472 316 HZ PHE 34 HZ PHE 34 9.257 3.546 12.356 317 H PHE 35 H PHE 35 2.995 1.004 7.451 318 HA PHE 35 HA PHE 35 2.834 -1.768 6.583 319 HB2 PHE 35 1HB PHE 35 1.244 0.737 5.927 320 HB3 PHE 35 2HB PHE 35 0.946 -0.788 5.104 321 HD1 PHE 35 HD2 PHE 35 1.708 -0.363 8.798 322 HD2 PHE 35 HD1 PHE 35 -1.210 -1.268 5.772 323 HE1 PHE 35 HE2 PHE 35 0.093 -1.057 10.545 324 HE2 PHE 35 HE1 PHE 35 -2.837 -1.906 7.523 325 HZ PHE 35 HZ PHE 35 -2.187 -1.810 9.921 326 H ASP 36 H ASP 36 3.813 1.330 5.177 327 HA ASP 36 HA ASP 36 3.966 0.465 2.442 328 HB2 ASP 36 1HB ASP 36 4.229 2.849 3.842 329 HB3 ASP 36 2HB ASP 36 5.890 2.536 3.321 330 H PHE 37 H PHE 37 6.239 0.456 5.159 331 HA PHE 37 HA PHE 37 8.589 -0.194 3.702 332 HB2 PHE 37 1HB PHE 37 8.516 0.656 6.027 333 HB3 PHE 37 2HB PHE 37 7.830 -0.877 6.568 334 HD1 PHE 37 HD1 PHE 37 10.811 0.358 4.606 335 HD2 PHE 37 HD2 PHE 37 9.281 -2.435 7.501 336 HE1 PHE 37 HE1 PHE 37 13.108 -0.551 4.938 337 HE2 PHE 37 HE2 PHE 37 11.578 -3.339 7.847 338 HZ PHE 37 HZ PHE 37 13.494 -2.395 6.565 339 H VAL 38 H VAL 38 6.067 -2.331 5.117 340 HA VAL 38 HA VAL 38 7.597 -4.719 4.679 341 HB VAL 38 HB VAL 38 5.885 -5.829 5.606 342 HG11 VAL 38 1HG1 VAL 38 5.918 -3.683 6.883 343 HG12 VAL 38 2HG1 VAL 38 4.517 -3.177 5.907 344 HG13 VAL 38 3HG1 VAL 38 4.397 -4.583 6.976 345 HG21 VAL 38 3HG2 VAL 38 4.527 -6.054 3.612 346 HG22 VAL 38 1HG2 VAL 38 3.474 -5.668 4.982 347 HG23 VAL 38 2HG2 VAL 38 3.902 -4.397 3.816 348 H LYS 39 H LYS 39 5.671 -2.743 2.580 349 HA LYS 39 HA LYS 39 4.984 -4.733 0.689 350 HB2 LYS 39 1HB LYS 39 4.141 -2.296 0.848 351 HB3 LYS 39 2HB LYS 39 5.591 -1.855 -0.065 352 HG2 LYS 39 1HG LYS 39 4.850 -3.446 -1.880 353 HG3 LYS 39 2HG LYS 39 3.373 -3.735 -0.946 354 HD2 LYS 39 1HD LYS 39 2.942 -1.242 -1.069 355 HD3 LYS 39 2HD LYS 39 4.262 -1.133 -2.238 356 HE2 LYS 39 1HE LYS 39 3.086 -2.670 -3.753 357 HE3 LYS 39 2HE LYS 39 1.827 -2.957 -2.543 358 HZ1 LYS 39 3HZ LYS 39 2.305 -0.292 -3.754 359 HZ2 LYS 39 1HZ LYS 39 1.017 -0.739 -2.818 360 HZ3 LYS 39 2HZ LYS 39 1.193 -1.364 -4.329 361 H ASP 40 H ASP 40 7.878 -2.770 1.129 362 HA ASP 40 HA ASP 40 9.174 -3.545 -1.341 363 HB2 ASP 40 1HB ASP 40 9.736 -1.485 -0.111 364 HB3 ASP 40 2HB ASP 40 10.267 -2.445 1.277 365 H THR 41 H THR 41 9.675 -4.501 2.100 366 HA THR 41 HA THR 41 11.698 -6.415 1.466 367 HB THR 41 HB THR 41 9.969 -6.710 3.913 368 HG1 THR 41 HG1 THR 41 11.636 -4.504 3.243 369 HG21 THR 41 1HG2 THR 41 12.970 -6.565 3.497 370 HG22 THR 41 2HG2 THR 41 12.025 -8.071 3.553 371 HG23 THR 41 3HG2 THR 41 12.121 -7.028 4.986 372 H CYS 42 H CYS 42 8.222 -6.628 1.541 373 HA CYS 42 HA CYS 42 8.413 -9.519 0.799 374 HB2 CYS 42 1HB CYS 42 6.373 -8.157 2.586 375 HB3 CYS 42 2HB CYS 42 6.191 -9.789 1.930 376 HG CYS 42 HG CYS 42 8.763 -8.732 3.664 377 HA PRO 43 HA PRO 43 6.129 -7.011 -2.339 378 HB2 PRO 43 1HB PRO 43 7.216 -8.078 -4.602 379 HB3 PRO 43 2HB PRO 43 8.049 -6.809 -3.647 380 HG2 PRO 43 1HG PRO 43 8.441 -9.797 -3.557 381 HG3 PRO 43 2HG PRO 43 9.671 -8.506 -3.731 382 HD2 PRO 43 1HD PRO 43 9.114 -9.649 -1.334 383 HD3 PRO 43 2HD PRO 43 9.520 -7.899 -1.475 384 H TRP 44 H TRP 44 6.626 -10.410 -1.830 385 HA TRP 44 HA TRP 44 4.492 -11.347 -3.536 386 HB2 TRP 44 1HB TRP 44 4.809 -13.369 -1.864 387 HB3 TRP 44 2HB TRP 44 5.989 -13.017 -3.137 388 HD1 TRP 44 HD1 TRP 44 5.478 -12.094 0.567 389 HE1 TRP 44 HE1 TRP 44 7.739 -11.898 1.756 390 HE3 TRP 44 HE3 TRP 44 8.430 -12.903 -3.495 391 HZ2 TRP 44 HZ2 TRP 44 10.484 -12.027 1.002 392 HZ3 TRP 44 HZ3 TRP 44 10.918 -12.826 -3.214 393 HH2 TRP 44 HH2 TRP 44 11.923 -12.389 -0.972 394 H PHE 45 H PHE 45 4.589 -9.836 -0.403 395 HA PHE 45 HA PHE 45 2.264 -11.152 0.658 396 HB2 PHE 45 1HB PHE 45 3.982 -9.912 1.992 397 HB3 PHE 45 2HB PHE 45 3.306 -8.399 1.395 398 HD1 PHE 45 HD1 PHE 45 1.068 -7.645 2.132 399 HD2 PHE 45 HD2 PHE 45 2.823 -11.278 3.626 400 HE1 PHE 45 HE1 PHE 45 -0.593 -7.680 3.981 401 HE2 PHE 45 HE2 PHE 45 1.167 -11.321 5.485 402 HZ PHE 45 HZ PHE 45 -0.538 -9.509 5.674 403 HA PRO 46 HA PRO 46 -0.389 -7.709 -0.979 404 HB2 PRO 46 1HB PRO 46 0.405 -5.985 -2.931 405 HB3 PRO 46 2HB PRO 46 0.681 -5.635 -1.194 406 HG2 PRO 46 1HG PRO 46 2.563 -6.865 -3.181 407 HG3 PRO 46 2HG PRO 46 2.819 -5.453 -2.115 408 HD2 PRO 46 1HD PRO 46 3.684 -7.880 -1.395 409 HD3 PRO 46 2HD PRO 46 2.952 -6.781 -0.183 410 H GLN 47 H GLN 47 2.002 -9.194 -3.123 411 HA GLN 47 HA GLN 47 0.415 -9.316 -5.482 412 HB2 GLN 47 1HB GLN 47 2.885 -9.717 -5.282 413 HB3 GLN 47 2HB GLN 47 2.532 -11.266 -4.511 414 HG2 GLN 47 1HG GLN 47 1.422 -12.048 -6.548 415 HG3 GLN 47 2HG GLN 47 1.728 -10.482 -7.321 416 HE21 GLN 47 2HE2 GLN 47 3.259 -10.757 -8.808 417 HE22 GLN 47 1HE2 GLN 47 4.754 -11.628 -8.567 418 H GLU 48 H GLU 48 0.791 -11.634 -2.753 419 HA GLU 48 HA GLU 48 -1.155 -13.455 -3.977 420 HB2 GLU 48 1HB GLU 48 0.167 -13.401 -1.243 421 HB3 GLU 48 2HB GLU 48 -0.937 -14.670 -1.797 422 HG2 GLU 48 1HG GLU 48 0.608 -15.140 -3.709 423 HG3 GLU 48 2HG GLU 48 1.747 -13.956 -3.050 424 H GLY 49 H GLY 49 -1.242 -10.650 -1.933 425 HA2 GLY 49 1HA GLY 49 -3.048 -9.498 -1.072 426 HA3 GLY 49 2HA GLY 49 -4.028 -10.409 -2.210 427 H THR 50 H THR 50 -2.186 -11.917 0.428 428 HA THR 50 HA THR 50 -4.823 -12.581 1.686 429 HB THR 50 HB THR 50 -2.454 -14.455 1.379 430 HG1 THR 50 HG1 THR 50 -3.697 -13.908 -0.587 431 HG21 THR 50 1HG2 THR 50 -4.181 -16.171 2.046 432 HG22 THR 50 2HG2 THR 50 -5.301 -14.837 2.402 433 HG23 THR 50 3HG2 THR 50 -3.797 -15.013 3.342 434 H ILE 51 H ILE 51 -4.964 -12.206 3.786 435 HA ILE 51 HA ILE 51 -2.419 -11.530 5.234 436 HB ILE 51 HB ILE 51 -5.144 -10.171 5.360 437 HG12 ILE 51 1HG1 ILE 51 -2.436 -9.209 4.370 438 HG13 ILE 51 2HG1 ILE 51 -3.779 -9.669 3.338 439 HG21 ILE 51 1HG2 ILE 51 -3.956 -10.240 7.601 440 HG22 ILE 51 2HG2 ILE 51 -2.588 -9.381 6.850 441 HG23 ILE 51 3HG2 ILE 51 -4.195 -8.611 6.956 442 HD11 ILE 51 3HD1 ILE 51 -3.748 -7.341 3.397 443 HD12 ILE 51 1HD1 ILE 51 -5.112 -7.842 4.417 444 HD13 ILE 51 2HD1 ILE 51 -3.588 -7.294 5.162 445 H ASP 52 H ASP 52 -2.049 -13.183 6.505 446 HA ASP 52 HA ASP 52 -4.025 -13.755 8.614 447 HB2 ASP 52 1HB ASP 52 -4.327 -15.518 6.792 448 HB3 ASP 52 2HB ASP 52 -2.653 -16.000 7.128 449 H ILE 53 H ILE 53 -2.949 -14.918 10.415 450 HA ILE 53 HA ILE 53 -0.526 -13.587 10.981 451 HB ILE 53 HB ILE 53 -2.134 -14.381 12.658 452 HG12 ILE 53 1HG1 ILE 53 -0.476 -15.209 14.353 453 HG13 ILE 53 2HG1 ILE 53 0.709 -15.340 13.053 454 HG21 ILE 53 1HG2 ILE 53 -2.243 -16.657 13.452 455 HG22 ILE 53 2HG2 ILE 53 -2.632 -16.621 11.723 456 HG23 ILE 53 3HG2 ILE 53 -1.023 -17.172 12.270 457 HD11 ILE 53 3HD1 ILE 53 0.908 -13.247 14.434 458 HD12 ILE 53 1HD1 ILE 53 0.682 -12.927 12.702 459 HD13 ILE 53 2HD1 ILE 53 -0.683 -12.741 13.830 460 H LYS 54 H LYS 54 -1.054 -16.910 9.759 461 HA LYS 54 HA LYS 54 1.649 -17.747 10.110 462 HB2 LYS 54 1HB LYS 54 1.163 -19.491 8.478 463 HB3 LYS 54 2HB LYS 54 -0.157 -19.302 9.631 464 HG2 LYS 54 1HG LYS 54 -1.387 -17.955 7.890 465 HG3 LYS 54 2HG LYS 54 -0.125 -18.396 6.732 466 HD2 LYS 54 1HD LYS 54 -0.620 -20.764 7.018 467 HD3 LYS 54 2HD LYS 54 -1.758 -20.414 8.330 468 HE2 LYS 54 1HE LYS 54 -2.345 -19.020 5.773 469 HE3 LYS 54 2HE LYS 54 -2.478 -20.790 5.710 470 HZ1 LYS 54 3HZ LYS 54 -4.008 -20.701 7.577 471 HZ2 LYS 54 1HZ LYS 54 -4.572 -19.729 6.371 472 HZ3 LYS 54 2HZ LYS 54 -3.855 -19.061 7.702 473 H ARG 55 H ARG 55 0.227 -15.677 7.641 474 HA ARG 55 HA ARG 55 2.674 -15.777 5.997 475 HB2 ARG 55 1HB ARG 55 0.175 -14.051 5.907 476 HB3 ARG 55 2HB ARG 55 1.523 -13.913 4.769 477 HG2 ARG 55 1HG ARG 55 1.188 -16.202 4.033 478 HG3 ARG 55 2HG ARG 55 -0.133 -16.419 5.200 479 HD2 ARG 55 1HD ARG 55 -1.511 -14.858 4.095 480 HD3 ARG 55 2HD ARG 55 -0.159 -14.211 3.151 481 HE ARG 55 HE ARG 55 -1.713 -16.624 2.582 482 HH11 ARG 55 1HH1 ARG 55 1.224 -14.820 1.844 483 HH12 ARG 55 2HH1 ARG 55 1.455 -15.624 0.307 484 HH21 ARG 55 1HH2 ARG 55 -1.383 -17.581 0.593 485 HH22 ARG 55 2HH2 ARG 55 -0.001 -17.132 -0.392 486 H TRP 56 H TRP 56 1.134 -13.660 8.417 487 HA TRP 56 HA TRP 56 2.907 -11.472 8.043 488 HB2 TRP 56 1HB TRP 56 0.687 -11.538 9.268 489 HB3 TRP 56 2HB TRP 56 1.565 -12.211 10.650 490 HD1 TRP 56 HD1 TRP 56 2.514 -10.426 12.256 491 HE1 TRP 56 HE1 TRP 56 3.089 -7.950 12.211 492 HE3 TRP 56 HE3 TRP 56 1.499 -9.589 7.324 493 HZ2 TRP 56 HZ2 TRP 56 3.172 -5.872 10.244 494 HZ3 TRP 56 HZ3 TRP 56 1.850 -7.294 6.394 495 HH2 TRP 56 HH2 TRP 56 2.672 -5.455 7.861 496 H ARG 57 H ARG 57 3.310 -14.461 9.901 497 HA ARG 57 HA ARG 57 5.456 -13.642 11.584 498 HB2 ARG 57 1HB ARG 57 5.478 -16.356 10.320 499 HB3 ARG 57 2HB ARG 57 5.933 -15.858 11.964 500 HG2 ARG 57 1HG ARG 57 3.400 -15.118 11.971 501 HG3 ARG 57 2HG ARG 57 3.326 -16.393 10.742 502 HD2 ARG 57 1HD ARG 57 4.215 -16.566 13.554 503 HD3 ARG 57 2HD ARG 57 2.767 -17.193 12.764 504 HE ARG 57 HE ARG 57 5.054 -18.262 11.459 505 HH11 ARG 57 1HH1 ARG 57 3.410 -18.599 14.567 506 HH12 ARG 57 2HH1 ARG 57 4.025 -20.209 14.822 507 HH21 ARG 57 1HH2 ARG 57 5.799 -20.319 11.854 508 HH22 ARG 57 2HH2 ARG 57 5.349 -21.165 13.309 509 H ARG 58 H ARG 58 5.395 -15.056 8.392 510 HA ARG 58 HA ARG 58 8.179 -15.048 7.814 511 HB2 ARG 58 1HB ARG 58 5.875 -14.574 5.889 512 HB3 ARG 58 2HB ARG 58 7.536 -14.903 5.416 513 HG2 ARG 58 1HG ARG 58 7.404 -17.104 6.548 514 HG3 ARG 58 2HG ARG 58 5.684 -16.792 6.893 515 HD2 ARG 58 1HD ARG 58 5.237 -16.531 4.489 516 HD3 ARG 58 2HD ARG 58 6.958 -16.760 4.130 517 HE ARG 58 HE ARG 58 6.034 -19.016 5.578 518 HH11 ARG 58 1HH1 ARG 58 5.677 -17.568 2.374 519 HH12 ARG 58 2HH1 ARG 58 5.366 -19.102 1.610 520 HH21 ARG 58 1HH2 ARG 58 5.631 -20.944 4.527 521 HH22 ARG 58 2HH2 ARG 58 5.342 -20.975 2.810 522 H VAL 59 H VAL 59 5.916 -12.306 7.699 523 HA VAL 59 HA VAL 59 7.634 -10.589 6.151 524 HB VAL 59 HB VAL 59 5.537 -9.826 8.243 525 HG11 VAL 59 1HG1 VAL 59 7.014 -7.954 7.682 526 HG12 VAL 59 2HG1 VAL 59 6.718 -8.217 5.951 527 HG13 VAL 59 3HG1 VAL 59 5.390 -7.696 7.017 528 HG21 VAL 59 3HG2 VAL 59 4.033 -9.560 6.293 529 HG22 VAL 59 1HG2 VAL 59 5.299 -10.259 5.255 530 HG23 VAL 59 2HG2 VAL 59 4.556 -11.233 6.544 531 H GLY 60 H GLY 60 7.283 -11.367 9.584 532 HA2 GLY 60 1HA GLY 60 9.160 -9.369 10.469 533 HA3 GLY 60 2HA GLY 60 8.551 -10.761 11.386 534 H ASP 61 H ASP 61 9.389 -12.818 9.560 535 HA ASP 61 HA ASP 61 12.152 -13.142 10.293 536 HB2 ASP 61 1HB ASP 61 10.393 -14.511 8.228 537 HB3 ASP 61 2HB ASP 61 12.082 -14.961 8.493 538 H CYS 62 H CYS 62 10.492 -11.864 7.416 539 HA CYS 62 HA CYS 62 12.789 -11.623 5.742 540 HB2 CYS 62 1HB CYS 62 10.027 -10.799 5.737 541 HB3 CYS 62 2HB CYS 62 11.034 -9.420 5.294 542 HG CYS 62 HG CYS 62 10.540 -10.173 3.028 543 H PHE 63 H PHE 63 11.330 -9.315 8.113 544 HA PHE 63 HA PHE 63 13.292 -7.262 7.622 545 HB2 PHE 63 1HB PHE 63 11.784 -7.864 10.193 546 HB3 PHE 63 2HB PHE 63 12.645 -6.372 9.830 547 HD1 PHE 63 HD1 PHE 63 11.733 -5.989 6.926 548 HD2 PHE 63 HD2 PHE 63 9.595 -7.037 10.517 549 HE1 PHE 63 HE1 PHE 63 9.660 -5.009 5.976 550 HE2 PHE 63 HE2 PHE 63 7.528 -6.031 9.574 551 HZ PHE 63 HZ PHE 63 7.558 -5.033 7.298 552 H GLN 64 H GLN 64 13.157 -10.094 9.750 553 HA GLN 64 HA GLN 64 15.423 -9.406 11.354 554 HB2 GLN 64 1HB GLN 64 13.643 -11.094 11.879 555 HB3 GLN 64 2HB GLN 64 14.343 -12.156 10.657 556 HG2 GLN 64 1HG GLN 64 16.426 -12.296 11.938 557 HG3 GLN 64 2HG GLN 64 15.778 -11.158 13.133 558 HE21 GLN 64 2HE2 GLN 64 14.411 -14.033 11.475 559 HE22 GLN 64 1HE2 GLN 64 13.930 -14.841 12.942 560 H ASP 65 H ASP 65 15.103 -11.328 8.326 561 HA ASP 65 HA ASP 65 17.891 -12.066 8.344 562 HB2 ASP 65 1HB ASP 65 15.888 -13.125 7.110 563 HB3 ASP 65 2HB ASP 65 16.163 -11.893 5.874 564 H TYR 66 H TYR 66 16.018 -9.440 6.859 565 HA TYR 66 HA TYR 66 18.155 -8.306 5.329 566 HB2 TYR 66 1HB TYR 66 15.579 -7.825 5.427 567 HB3 TYR 66 2HB TYR 66 16.000 -6.683 6.694 568 HD1 TYR 66 HD1 TYR 66 18.166 -5.080 5.887 569 HD2 TYR 66 HD2 TYR 66 15.281 -6.976 3.312 570 HE1 TYR 66 HE1 TYR 66 18.632 -3.403 4.097 571 HE2 TYR 66 HE2 TYR 66 15.739 -5.271 1.553 572 HH TYR 66 HH TYR 66 16.891 -3.385 0.994 573 H PHE 67 H PHE 67 17.087 -7.995 8.717 574 HA PHE 67 HA PHE 67 19.002 -5.956 9.459 575 HB2 PHE 67 1HB PHE 67 16.901 -6.545 10.696 576 HB3 PHE 67 2HB PHE 67 17.666 -8.051 11.209 577 HD1 PHE 67 HD1 PHE 67 19.702 -7.960 12.718 578 HD2 PHE 67 HD2 PHE 67 17.327 -4.490 11.809 579 HE1 PHE 67 HE1 PHE 67 20.675 -6.781 14.684 580 HE2 PHE 67 HE2 PHE 67 18.266 -3.317 13.781 581 HZ PHE 67 HZ PHE 67 19.958 -4.453 15.222 582 H ASN 68 H ASN 68 19.102 -9.551 9.423 583 HA ASN 68 HA ASN 68 21.595 -9.746 10.854 584 HB2 ASN 68 1HB ASN 68 20.335 -11.585 8.768 585 HB3 ASN 68 2HB ASN 68 21.785 -11.981 9.695 586 HD21 ASN 68 2HD2 ASN 68 19.187 -13.310 9.580 587 HD22 ASN 68 1HD2 ASN 68 18.629 -13.355 11.238 588 H THR 69 H THR 69 20.730 -9.237 7.464 589 HA THR 69 HA THR 69 23.415 -9.645 6.482 590 HB THR 69 HB THR 69 21.092 -8.200 5.115 591 HG1 THR 69 HG1 THR 69 20.439 -10.278 5.766 592 HG21 THR 69 1HG2 THR 69 23.492 -9.729 4.025 593 HG22 THR 69 2HG2 THR 69 23.251 -7.966 3.939 594 HG23 THR 69 3HG2 THR 69 22.164 -9.058 3.054 595 H PHE 70 H PHE 70 21.471 -6.704 7.217 596 HA PHE 70 HA PHE 70 23.951 -5.120 6.642 597 HB2 PHE 70 1HB PHE 70 21.055 -4.394 6.188 598 HB3 PHE 70 2HB PHE 70 22.439 -3.331 5.925 599 HD1 PHE 70 HD2 PHE 70 24.351 -4.322 4.364 600 HD2 PHE 70 HD1 PHE 70 20.242 -5.589 4.354 601 HE1 PHE 70 HE2 PHE 70 24.625 -5.170 2.039 602 HE2 PHE 70 HE1 PHE 70 20.494 -6.422 2.025 603 HZ PHE 70 HZ PHE 70 22.691 -6.215 0.858 604 H GLY 71 H GLY 71 22.116 -5.963 9.285 605 HA2 GLY 71 1HA GLY 71 22.267 -5.123 11.417 606 HA3 GLY 71 2HA GLY 71 23.334 -3.854 10.813 607 HA PRO 72 HA PRO 72 19.291 -1.973 12.141 608 HB2 PRO 72 1HB PRO 72 20.296 -0.151 13.899 609 HB3 PRO 72 2HB PRO 72 20.010 -1.859 14.364 610 HG2 PRO 72 1HG PRO 72 22.560 -0.559 13.447 611 HG3 PRO 72 2HG PRO 72 22.266 -1.554 14.909 612 HD2 PRO 72 1HD PRO 72 23.311 -2.625 12.666 613 HD3 PRO 72 2HD PRO 72 22.129 -3.543 13.666 614 H GLU 73 H GLU 73 22.184 -1.029 10.642 615 HA GLU 73 HA GLU 73 21.678 1.753 10.182 616 HB2 GLU 73 1HB GLU 73 23.239 -0.215 8.463 617 HB3 GLU 73 2HB GLU 73 23.419 1.542 8.490 618 HG2 GLU 73 1HG GLU 73 24.121 -0.417 10.706 619 HG3 GLU 73 2HG GLU 73 25.249 0.509 9.705 620 H LYS 74 H LYS 74 20.280 -1.128 8.918 621 HA LYS 74 HA LYS 74 19.163 0.406 6.589 622 HB2 LYS 74 1HB LYS 74 20.154 -2.380 6.886 623 HB3 LYS 74 2HB LYS 74 18.690 -2.163 5.926 624 HG2 LYS 74 1HG LYS 74 20.638 -2.148 4.472 625 HG3 LYS 74 2HG LYS 74 19.871 -0.552 4.457 626 HD2 LYS 74 1HD LYS 74 21.575 0.374 5.864 627 HD3 LYS 74 2HD LYS 74 22.226 -1.226 6.249 628 HE2 LYS 74 1HE LYS 74 22.884 -1.510 3.883 629 HE3 LYS 74 2HE LYS 74 22.273 0.129 3.535 630 HZ1 LYS 74 3HZ LYS 74 24.410 -0.532 5.484 631 HZ2 LYS 74 1HZ LYS 74 23.842 0.985 5.174 632 HZ3 LYS 74 2HZ LYS 74 24.651 0.151 4.000 633 H VAL 75 H VAL 75 18.360 -2.069 9.097 634 HA VAL 75 HA VAL 75 15.499 -1.301 8.600 635 HB VAL 75 HB VAL 75 16.631 -3.800 9.955 636 HG11 VAL 75 1HG1 VAL 75 14.293 -4.642 9.864 637 HG12 VAL 75 2HG1 VAL 75 14.435 -3.197 10.880 638 HG13 VAL 75 3HG1 VAL 75 13.757 -3.066 9.237 639 HG21 VAL 75 3HG2 VAL 75 15.411 -3.423 7.201 640 HG22 VAL 75 1HG2 VAL 75 17.068 -3.937 7.594 641 HG23 VAL 75 2HG2 VAL 75 15.703 -4.998 7.973 642 HA PRO 76 HA PRO 76 16.245 0.391 12.632 643 HB2 PRO 76 1HB PRO 76 13.837 1.481 13.237 644 HB3 PRO 76 2HB PRO 76 14.901 2.193 12.000 645 HG2 PRO 76 1HG PRO 76 12.534 0.412 11.641 646 HG3 PRO 76 2HG PRO 76 12.952 1.918 10.776 647 HD2 PRO 76 1HD PRO 76 13.462 -0.597 9.781 648 HD3 PRO 76 2HD PRO 76 14.476 0.837 9.396 649 H VAL 77 H VAL 77 15.869 -0.274 14.809 650 HA VAL 77 HA VAL 77 14.697 -2.859 15.128 651 HB VAL 77 HB VAL 77 15.010 -2.490 17.568 652 HG11 VAL 77 1HG1 VAL 77 16.879 -3.280 16.125 653 HG12 VAL 77 2HG1 VAL 77 17.398 -1.596 15.884 654 HG13 VAL 77 3HG1 VAL 77 17.458 -2.325 17.504 655 HG21 VAL 77 3HG2 VAL 77 15.962 0.304 16.764 656 HG22 VAL 77 1HG2 VAL 77 14.472 -0.065 17.669 657 HG23 VAL 77 2HG2 VAL 77 16.054 -0.412 18.385 658 H THR 78 H THR 78 13.289 0.325 15.143 659 HA THR 78 HA THR 78 10.962 -0.440 16.688 660 HB THR 78 HB THR 78 11.772 1.963 16.253 661 HG1 THR 78 HG1 THR 78 9.597 2.686 16.376 662 HG21 THR 78 1HG2 THR 78 11.767 1.733 13.738 663 HG22 THR 78 2HG2 THR 78 10.927 3.149 14.392 664 HG23 THR 78 3HG2 THR 78 9.995 1.743 13.845 665 H ALA 79 H ALA 79 11.962 -1.023 13.385 666 HA ALA 79 HA ALA 79 9.325 -1.177 12.257 667 HB1 ALA 79 3HB ALA 79 11.296 -1.154 10.840 668 HB2 ALA 79 1HB ALA 79 11.883 -2.670 11.561 669 HB3 ALA 79 2HB ALA 79 10.404 -2.665 10.570 670 H PHE 80 H PHE 80 11.323 -3.457 14.130 671 HA PHE 80 HA PHE 80 9.513 -5.684 13.832 672 HB2 PHE 80 1HB PHE 80 11.538 -5.072 16.014 673 HB3 PHE 80 2HB PHE 80 10.768 -6.637 15.726 674 HD1 PHE 80 HD1 PHE 80 11.391 -8.018 13.790 675 HD2 PHE 80 HD2 PHE 80 13.319 -4.256 14.565 676 HE1 PHE 80 HE1 PHE 80 13.207 -8.628 12.218 677 HE2 PHE 80 HE2 PHE 80 15.138 -4.841 12.978 678 HZ PHE 80 HZ PHE 80 15.080 -7.037 11.789 679 H SER 81 H SER 81 9.727 -2.936 16.013 680 HA SER 81 HA SER 81 7.908 -3.984 18.015 681 HB2 SER 81 1HB SER 81 9.539 -2.146 18.460 682 HB3 SER 81 2HB SER 81 8.625 -1.092 17.361 683 HG SER 81 HG SER 81 8.027 -0.800 19.553 684 H TYR 82 H TYR 82 7.634 -1.754 15.236 685 HA TYR 82 HA TYR 82 4.808 -1.340 15.427 686 HB2 TYR 82 1HB TYR 82 6.950 -1.014 13.365 687 HB3 TYR 82 2HB TYR 82 5.286 -1.118 12.780 688 HD1 TYR 82 HD1 TYR 82 3.628 0.547 13.315 689 HD2 TYR 82 HD2 TYR 82 7.670 0.946 14.772 690 HE1 TYR 82 HE1 TYR 82 3.214 2.965 13.853 691 HE2 TYR 82 HE2 TYR 82 7.232 3.335 15.323 692 HH TYR 82 HH TYR 82 4.130 4.932 14.568 693 H TRP 83 H TRP 83 6.813 -3.758 13.727 694 HA TRP 83 HA TRP 83 4.730 -5.028 12.327 695 HB2 TRP 83 1HB TRP 83 7.091 -5.468 11.890 696 HB3 TRP 83 2HB TRP 83 7.320 -6.068 13.522 697 HD1 TRP 83 HD1 TRP 83 5.813 -7.179 10.183 698 HE1 TRP 83 HE1 TRP 83 5.449 -9.699 10.197 699 HE3 TRP 83 HE3 TRP 83 7.003 -8.032 15.081 700 HZ2 TRP 83 HZ2 TRP 83 5.629 -11.801 12.092 701 HZ3 TRP 83 HZ3 TRP 83 6.897 -10.373 15.951 702 HH2 TRP 83 HH2 TRP 83 6.210 -12.246 14.449 703 H ASN 84 H ASN 84 5.851 -5.458 15.682 704 HA ASN 84 HA ASN 84 4.354 -7.829 16.239 705 HB2 ASN 84 1HB ASN 84 5.747 -5.737 17.833 706 HB3 ASN 84 2HB ASN 84 4.482 -6.645 18.669 707 HD21 ASN 84 2HD2 ASN 84 7.685 -6.697 17.451 708 HD22 ASN 84 1HD2 ASN 84 8.059 -8.338 17.932 709 H LEU 85 H LEU 85 3.472 -4.400 16.254 710 HA LEU 85 HA LEU 85 1.010 -4.675 17.694 711 HB2 LEU 85 1HB LEU 85 2.222 -2.552 17.237 712 HB3 LEU 85 2HB LEU 85 1.769 -2.672 15.542 713 HG LEU 85 HG LEU 85 -0.507 -2.766 17.438 714 HD11 LEU 85 1HD1 LEU 85 0.955 -1.162 18.577 715 HD12 LEU 85 2HD1 LEU 85 -0.429 -0.336 17.835 716 HD13 LEU 85 3HD1 LEU 85 1.169 -0.255 17.057 717 HD21 LEU 85 3HD2 LEU 85 0.099 -1.132 14.927 718 HD22 LEU 85 1HD2 LEU 85 -1.468 -1.205 15.769 719 HD23 LEU 85 2HD2 LEU 85 -0.819 -2.655 14.982 720 H ILE 86 H ILE 86 1.804 -4.981 14.200 721 HA ILE 86 HA ILE 86 -1.017 -5.383 13.535 722 HB ILE 86 HB ILE 86 1.501 -5.923 11.901 723 HG12 ILE 86 1HG1 ILE 86 0.248 -4.027 10.521 724 HG13 ILE 86 2HG1 ILE 86 -0.486 -3.648 12.079 725 HG21 ILE 86 1HG2 ILE 86 -0.130 -6.106 9.984 726 HG22 ILE 86 2HG2 ILE 86 -0.244 -7.430 11.147 727 HG23 ILE 86 3HG2 ILE 86 -1.457 -6.132 11.182 728 HD11 ILE 86 3HD1 ILE 86 2.522 -3.817 11.703 729 HD12 ILE 86 1HD1 ILE 86 1.601 -2.332 11.392 730 HD13 ILE 86 2HD1 ILE 86 1.607 -3.036 13.017 731 H LYS 87 H LYS 87 1.770 -7.390 14.431 732 HA LYS 87 HA LYS 87 0.694 -9.896 13.633 733 HB2 LYS 87 1HB LYS 87 2.850 -10.230 14.245 734 HB3 LYS 87 2HB LYS 87 2.826 -8.897 15.382 735 HG2 LYS 87 1HG LYS 87 1.690 -10.346 17.046 736 HG3 LYS 87 2HG LYS 87 1.830 -11.699 15.912 737 HD2 LYS 87 1HD LYS 87 4.215 -11.640 16.048 738 HD3 LYS 87 2HD LYS 87 4.179 -10.054 16.838 739 HE2 LYS 87 1HE LYS 87 2.936 -11.113 18.759 740 HE3 LYS 87 2HE LYS 87 3.258 -12.696 18.017 741 HZ1 LYS 87 3HZ LYS 87 5.620 -12.227 18.200 742 HZ2 LYS 87 1HZ LYS 87 4.923 -12.064 19.687 743 HZ3 LYS 87 2HZ LYS 87 5.329 -10.720 18.813 744 H GLU 88 H GLU 88 0.317 -8.090 16.752 745 HA GLU 88 HA GLU 88 -1.355 -10.181 17.846 746 HB2 GLU 88 1HB GLU 88 -1.883 -8.580 19.617 747 HB3 GLU 88 2HB GLU 88 -0.145 -8.658 19.297 748 HG2 GLU 88 1HG GLU 88 -0.322 -6.603 17.954 749 HG3 GLU 88 2HG GLU 88 -2.034 -6.480 18.372 750 H LEU 89 H LEU 89 -2.002 -7.333 15.838 751 HA LEU 89 HA LEU 89 -4.804 -7.247 16.138 752 HB2 LEU 89 1HB LEU 89 -2.795 -6.183 14.351 753 HB3 LEU 89 2HB LEU 89 -4.182 -6.753 13.427 754 HG LEU 89 HG LEU 89 -5.564 -5.416 15.136 755 HD11 LEU 89 1HD1 LEU 89 -3.773 -4.839 16.697 756 HD12 LEU 89 2HD1 LEU 89 -4.520 -3.386 15.989 757 HD13 LEU 89 3HD1 LEU 89 -2.936 -3.952 15.405 758 HD21 LEU 89 3HD2 LEU 89 -5.389 -3.410 13.691 759 HD22 LEU 89 1HD2 LEU 89 -5.388 -4.906 12.737 760 HD23 LEU 89 2HD2 LEU 89 -3.861 -4.038 13.027 761 H ILE 90 H ILE 90 -2.809 -8.994 13.701 762 HA ILE 90 HA ILE 90 -5.150 -10.239 12.562 763 HB ILE 90 HB ILE 90 -2.254 -11.173 12.302 764 HG12 ILE 90 1HG1 ILE 90 -3.775 -9.385 10.367 765 HG13 ILE 90 2HG1 ILE 90 -2.735 -8.724 11.628 766 HG21 ILE 90 1HG2 ILE 90 -3.932 -12.843 11.531 767 HG22 ILE 90 2HG2 ILE 90 -4.739 -11.601 10.554 768 HG23 ILE 90 3HG2 ILE 90 -3.103 -12.134 10.136 769 HD11 ILE 90 3HD1 ILE 90 -1.834 -10.569 9.378 770 HD12 ILE 90 1HD1 ILE 90 -1.494 -8.834 9.538 771 HD13 ILE 90 2HD1 ILE 90 -0.800 -9.981 10.702 772 H ASP 91 H ASP 91 -2.775 -11.219 15.035 773 HA ASP 91 HA ASP 91 -3.407 -13.976 15.138 774 HB2 ASP 91 1HB ASP 91 -1.512 -12.830 16.316 775 HB3 ASP 91 2HB ASP 91 -2.677 -12.174 17.476 776 H LYS 92 H LYS 92 -5.105 -11.179 16.538 777 HA LYS 92 HA LYS 92 -7.173 -13.120 17.494 778 HB2 LYS 92 1HB LYS 92 -6.434 -10.417 18.640 779 HB3 LYS 92 2HB LYS 92 -7.773 -11.417 19.206 780 HG2 LYS 92 1HG LYS 92 -4.979 -12.585 19.203 781 HG3 LYS 92 2HG LYS 92 -5.433 -11.422 20.444 782 HD2 LYS 92 1HD LYS 92 -5.869 -13.510 21.438 783 HD3 LYS 92 2HD LYS 92 -7.457 -12.911 20.953 784 HE2 LYS 92 1HE LYS 92 -7.323 -15.275 20.454 785 HE3 LYS 92 2HE LYS 92 -7.372 -14.385 18.939 786 HZ1 LYS 92 3HZ LYS 92 -5.761 -16.131 18.832 787 HZ2 LYS 92 1HZ LYS 92 -4.947 -15.566 20.153 788 HZ3 LYS 92 2HZ LYS 92 -4.960 -14.692 18.757 789 H LYS 93 H LYS 93 -6.975 -11.945 14.796 790 HA LYS 93 HA LYS 93 -9.006 -9.899 14.595 791 HB2 LYS 93 1HB LYS 93 -9.045 -10.323 12.249 792 HB3 LYS 93 2HB LYS 93 -7.370 -10.440 12.777 793 HG2 LYS 93 1HG LYS 93 -7.503 -12.911 12.666 794 HG3 LYS 93 2HG LYS 93 -9.203 -12.807 12.188 795 HD2 LYS 93 1HD LYS 93 -8.603 -11.599 10.152 796 HD3 LYS 93 2HD LYS 93 -6.896 -11.597 10.624 797 HE2 LYS 93 1HE LYS 93 -6.792 -14.031 10.467 798 HE3 LYS 93 2HE LYS 93 -8.534 -14.112 10.156 799 HZ1 LYS 93 3HZ LYS 93 -6.529 -12.868 8.340 800 HZ2 LYS 93 1HZ LYS 93 -8.156 -12.907 8.068 801 HZ3 LYS 93 2HZ LYS 93 -7.290 -14.308 8.100 802 H GLU 94 H GLU 94 -9.067 -13.289 15.109 803 HA GLU 94 HA GLU 94 -11.607 -14.016 14.118 804 HB2 GLU 94 1HB GLU 94 -11.385 -15.797 15.977 805 HB3 GLU 94 2HB GLU 94 -10.153 -15.752 14.709 806 HG2 GLU 94 1HG GLU 94 -8.578 -14.613 16.179 807 HG3 GLU 94 2HG GLU 94 -9.812 -14.438 17.434 808 H VAL 95 H VAL 95 -10.775 -12.279 17.081 809 HA VAL 95 HA VAL 95 -13.645 -12.484 17.919 810 HB VAL 95 HB VAL 95 -12.819 -12.116 20.253 811 HG11 VAL 95 1HG1 VAL 95 -11.534 -14.533 18.904 812 HG12 VAL 95 2HG1 VAL 95 -11.981 -14.380 20.617 813 HG13 VAL 95 3HG1 VAL 95 -13.245 -14.408 19.369 814 HG21 VAL 95 3HG2 VAL 95 -10.441 -12.328 20.792 815 HG22 VAL 95 1HG2 VAL 95 -10.025 -12.551 19.080 816 HG23 VAL 95 2HG2 VAL 95 -10.652 -10.985 19.652 817 H ASN 96 H ASN 96 -11.858 -10.473 16.249 818 HA ASN 96 HA ASN 96 -12.887 -8.065 17.692 819 HB2 ASN 96 1HB ASN 96 -10.431 -8.426 18.000 820 HB3 ASN 96 2HB ASN 96 -10.229 -8.232 16.258 821 HD21 ASN 96 2HD2 ASN 96 -9.533 -6.671 18.826 822 HD22 ASN 96 1HD2 ASN 96 -9.999 -5.035 18.429 823 HA PRO 97 HA PRO 97 -14.476 -8.034 13.481 824 HB2 PRO 97 1HB PRO 97 -16.579 -6.316 13.814 825 HB3 PRO 97 2HB PRO 97 -16.630 -8.035 14.325 826 HG2 PRO 97 1HG PRO 97 -16.002 -5.601 15.981 827 HG3 PRO 97 2HG PRO 97 -17.182 -6.912 16.306 828 HD2 PRO 97 1HD PRO 97 -14.729 -6.936 17.420 829 HD3 PRO 97 2HD PRO 97 -15.490 -8.457 16.835 830 H GLN 98 H GLN 98 -13.646 -5.110 15.392 831 HA GLN 98 HA GLN 98 -13.688 -3.286 13.163 832 HB2 GLN 98 1HB GLN 98 -12.455 -3.348 15.895 833 HB3 GLN 98 2HB GLN 98 -11.702 -2.285 14.707 834 HG2 GLN 98 1HG GLN 98 -13.277 -0.997 15.942 835 HG3 GLN 98 2HG GLN 98 -13.896 -1.208 14.302 836 HE21 GLN 98 2HE2 GLN 98 -16.038 -0.887 14.814 837 HE22 GLN 98 1HE2 GLN 98 -16.953 -2.029 15.784 838 H VAL 99 H VAL 99 -11.298 -5.522 14.526 839 HA VAL 99 HA VAL 99 -9.190 -4.711 12.718 840 HB VAL 99 HB VAL 99 -9.661 -7.130 14.474 841 HG11 VAL 99 1HG1 VAL 99 -7.345 -6.624 12.595 842 HG12 VAL 99 2HG1 VAL 99 -7.314 -7.777 13.943 843 HG13 VAL 99 3HG1 VAL 99 -8.467 -8.018 12.620 844 HG21 VAL 99 3HG2 VAL 99 -7.657 -4.855 14.573 845 HG22 VAL 99 1HG2 VAL 99 -9.095 -5.028 15.598 846 HG23 VAL 99 2HG2 VAL 99 -7.766 -6.198 15.739 847 H MET 100 H MET 100 -11.433 -7.529 12.813 848 HA MET 100 HA MET 100 -10.294 -8.761 10.538 849 HB2 MET 100 1HB MET 100 -12.200 -9.355 12.395 850 HB3 MET 100 2HB MET 100 -13.167 -9.118 10.970 851 HG2 MET 100 1HG MET 100 -10.922 -11.096 11.372 852 HG3 MET 100 2HG MET 100 -12.634 -11.469 11.203 853 HE1 MET 100 3HE MET 100 -13.644 -9.844 8.640 854 HE2 MET 100 1HE MET 100 -13.295 -11.053 7.384 855 HE3 MET 100 2HE MET 100 -13.945 -11.570 8.958 856 H ALA 101 H ALA 101 -12.826 -6.249 10.786 857 HA ALA 101 HA ALA 101 -13.625 -6.299 8.041 858 HB1 ALA 101 3HB ALA 101 -14.228 -3.873 8.473 859 HB2 ALA 101 1HB ALA 101 -14.908 -5.025 9.653 860 HB3 ALA 101 2HB ALA 101 -13.489 -4.040 10.083 861 H ALA 102 H ALA 102 -10.837 -4.825 9.691 862 HA ALA 102 HA ALA 102 -9.989 -3.286 7.395 863 HB1 ALA 102 3HB ALA 102 -8.087 -2.730 8.718 864 HB2 ALA 102 1HB ALA 102 -9.404 -2.907 9.899 865 HB3 ALA 102 2HB ALA 102 -8.227 -4.209 9.693 866 H VAL 103 H VAL 103 -9.297 -6.486 8.779 867 HA VAL 103 HA VAL 103 -7.050 -7.107 7.131 868 HB VAL 103 HB VAL 103 -9.144 -8.958 8.384 869 HG11 VAL 103 1HG1 VAL 103 -6.482 -9.578 7.076 870 HG12 VAL 103 2HG1 VAL 103 -7.329 -10.702 8.147 871 HG13 VAL 103 3HG1 VAL 103 -8.080 -10.200 6.622 872 HG21 VAL 103 3HG2 VAL 103 -7.743 -7.504 9.942 873 HG22 VAL 103 1HG2 VAL 103 -7.614 -9.246 10.201 874 HG23 VAL 103 2HG2 VAL 103 -6.322 -8.380 9.345 875 H ALA 104 H ALA 104 -10.534 -7.930 6.769 876 HA ALA 104 HA ALA 104 -10.217 -9.201 4.249 877 HB1 ALA 104 3HB ALA 104 -12.672 -8.852 4.026 878 HB2 ALA 104 1HB ALA 104 -12.235 -9.456 5.642 879 HB3 ALA 104 2HB ALA 104 -12.636 -7.736 5.413 880 H GLN 105 H GLN 105 -10.974 -5.790 5.088 881 HA GLN 105 HA GLN 105 -11.311 -4.937 2.395 882 HB2 GLN 105 1HB GLN 105 -10.642 -3.568 4.992 883 HB3 GLN 105 2HB GLN 105 -10.482 -2.675 3.466 884 HG2 GLN 105 1HG GLN 105 -12.817 -3.163 2.903 885 HG3 GLN 105 2HG GLN 105 -12.998 -4.077 4.406 886 HE21 GLN 105 2HE2 GLN 105 -14.160 -2.981 5.803 887 HE22 GLN 105 1HE2 GLN 105 -14.053 -1.260 6.099 888 H THR 106 H THR 106 -8.319 -5.211 4.404 889 HA THR 106 HA THR 106 -6.763 -3.826 2.407 890 HB THR 106 HB THR 106 -5.745 -5.775 4.505 891 HG1 THR 106 HG1 THR 106 -6.959 -4.163 5.501 892 HG21 THR 106 1HG2 THR 106 -4.486 -3.405 3.068 893 HG22 THR 106 2HG2 THR 106 -4.056 -5.114 2.838 894 HG23 THR 106 3HG2 THR 106 -3.737 -4.318 4.391 895 H GLU 107 H GLU 107 -7.622 -7.264 2.974 896 HA GLU 107 HA GLU 107 -5.908 -8.334 0.942 897 HB2 GLU 107 1HB GLU 107 -8.586 -9.265 2.033 898 HB3 GLU 107 2HB GLU 107 -7.647 -10.189 0.854 899 HG2 GLU 107 1HG GLU 107 -5.764 -10.310 2.411 900 HG3 GLU 107 2HG GLU 107 -6.651 -9.355 3.594 901 H GLU 108 H GLU 108 -9.226 -6.942 0.767 902 HA GLU 108 HA GLU 108 -9.582 -7.441 -2.047 903 HB2 GLU 108 1HB GLU 108 -10.692 -5.271 -0.233 904 HB3 GLU 108 2HB GLU 108 -11.223 -5.532 -1.891 905 HG2 GLU 108 1HG GLU 108 -12.062 -7.741 -1.320 906 HG3 GLU 108 2HG GLU 108 -11.461 -7.569 0.334 907 H ILE 109 H ILE 109 -8.330 -4.610 -0.245 908 HA ILE 109 HA ILE 109 -8.078 -2.906 -2.529 909 HB ILE 109 HB ILE 109 -6.618 -2.873 0.159 910 HG12 ILE 109 1HG1 ILE 109 -8.742 -0.942 -0.792 911 HG13 ILE 109 2HG1 ILE 109 -9.214 -2.499 -0.131 912 HG21 ILE 109 1HG2 ILE 109 -5.218 -1.605 -1.409 913 HG22 ILE 109 2HG2 ILE 109 -6.640 -0.772 -2.082 914 HG23 ILE 109 3HG2 ILE 109 -6.105 -0.436 -0.421 915 HD11 ILE 109 3HD1 ILE 109 -7.883 -1.938 1.960 916 HD12 ILE 109 1HD1 ILE 109 -7.703 -0.294 1.310 917 HD13 ILE 109 2HD1 ILE 109 -9.321 -0.942 1.673 918 H LEU 110 H LEU 110 -5.769 -5.186 -1.013 919 HA LEU 110 HA LEU 110 -3.522 -4.347 -2.578 920 HB2 LEU 110 1HB LEU 110 -4.302 -6.791 -1.028 921 HB3 LEU 110 2HB LEU 110 -2.947 -6.920 -2.136 922 HG LEU 110 HG LEU 110 -1.567 -5.605 -0.872 923 HD11 LEU 110 1HD1 LEU 110 -3.956 -4.288 0.452 924 HD12 LEU 110 2HD1 LEU 110 -2.767 -3.536 -0.630 925 HD13 LEU 110 3HD1 LEU 110 -2.281 -4.072 0.986 926 HD21 LEU 110 3HD2 LEU 110 -1.759 -6.396 1.437 927 HD22 LEU 110 1HD2 LEU 110 -2.202 -7.682 0.300 928 HD23 LEU 110 2HD2 LEU 110 -3.472 -6.795 1.171 929 H LYS 111 H LYS 111 -6.118 -6.709 -3.218 930 HA LYS 111 HA LYS 111 -4.894 -7.720 -5.638 931 HB2 LYS 111 1HB LYS 111 -7.705 -7.810 -4.580 932 HB3 LYS 111 2HB LYS 111 -7.148 -8.691 -6.014 933 HG2 LYS 111 1HG LYS 111 -5.605 -9.992 -4.714 934 HG3 LYS 111 2HG LYS 111 -5.874 -8.978 -3.282 935 HD2 LYS 111 1HD LYS 111 -8.282 -9.589 -3.426 936 HD3 LYS 111 2HD LYS 111 -7.817 -10.829 -4.609 937 HE2 LYS 111 1HE LYS 111 -6.715 -10.534 -1.791 938 HE3 LYS 111 2HE LYS 111 -7.967 -11.683 -2.250 939 HZ1 LYS 111 3HZ LYS 111 -6.396 -12.805 -3.661 940 HZ2 LYS 111 1HZ LYS 111 -5.741 -12.664 -2.152 941 HZ3 LYS 111 2HZ LYS 111 -5.229 -11.679 -3.365 942 H SER 112 H SER 112 -7.110 -5.068 -4.914 943 HA SER 112 HA SER 112 -7.793 -4.656 -7.744 944 HB2 SER 112 1HB SER 112 -9.449 -4.167 -6.020 945 HB3 SER 112 2HB SER 112 -8.330 -3.051 -5.214 946 HG SER 112 HG SER 112 -9.271 -2.718 -7.876 947 H ASN 113 H ASN 113 -5.963 -2.952 -5.239 948 HA ASN 113 HA ASN 113 -4.431 -1.361 -5.201 949 HB2 ASN 113 1HB ASN 113 -3.529 -3.325 -6.909 950 HB3 ASN 113 2HB ASN 113 -3.157 -1.826 -7.781 951 HD21 ASN 113 2HD2 ASN 113 -3.131 -2.955 -4.390 952 HD22 ASN 113 1HD2 ASN 113 -1.552 -2.317 -4.014 953 H SER 114 H SER 114 -6.715 -0.895 -7.682 954 HA SER 114 HA SER 114 -6.084 1.982 -7.580 955 HB2 SER 114 1HB SER 114 -4.751 1.244 -9.518 956 HB3 SER 114 2HB SER 114 -6.178 0.442 -10.206 957 HG SER 114 HG SER 114 -5.517 3.147 -10.109 958 H GLN 115 H GLN 115 -7.865 3.283 -8.026 959 HA GLN 115 HA GLN 115 -10.466 1.849 -8.312 960 HB2 GLN 115 1HB GLN 115 -9.862 4.714 -7.479 961 HB3 GLN 115 2HB GLN 115 -11.472 3.981 -7.582 962 HG2 GLN 115 1HG GLN 115 -10.693 2.263 -5.890 963 HG3 GLN 115 2HG GLN 115 -9.242 3.250 -5.659 964 HE21 GLN 115 2HE2 GLN 115 -10.527 5.817 -5.911 965 HE22 GLN 115 1HE2 GLN 115 -11.511 6.029 -4.484 966 H THR 116 H THR 116 -8.762 1.981 -10.500 967 HA THR 116 HA THR 116 -8.543 2.557 -12.646 968 HB THR 116 HB THR 116 -11.430 3.317 -12.685 969 HG1 THR 116 HG1 THR 116 -11.387 1.529 -11.386 970 HG21 THR 116 1HG2 THR 116 -11.353 2.072 -14.785 971 HG22 THR 116 2HG2 THR 116 -9.684 1.558 -14.439 972 HG23 THR 116 3HG2 THR 116 -10.034 3.267 -14.775 973 H ASP 117 H ASP 117 -7.686 4.562 -11.077 974 HA ASP 117 HA ASP 117 -7.539 6.662 -13.061 975 HB2 ASP 117 1HB ASP 117 -9.545 7.347 -11.537 976 HB3 ASP 117 2HB ASP 117 -8.318 7.604 -10.287 977 H LEU 118 H LEU 118 -5.781 8.264 -12.196 978 HA LEU 118 HA LEU 118 -3.887 6.674 -10.494 979 HB2 LEU 118 1HB LEU 118 -3.171 8.470 -12.791 980 HB3 LEU 118 2HB LEU 118 -2.057 7.518 -11.838 981 HG LEU 118 HG LEU 118 -4.181 6.377 -13.696 982 HD11 LEU 118 1HD1 LEU 118 -2.401 7.575 -14.903 983 HD12 LEU 118 2HD1 LEU 118 -2.290 5.825 -15.165 984 HD13 LEU 118 3HD1 LEU 118 -1.167 6.628 -14.043 985 HD21 LEU 118 3HD2 LEU 118 -2.939 4.247 -13.402 986 HD22 LEU 118 1HD2 LEU 118 -3.649 4.817 -11.881 987 HD23 LEU 118 2HD2 LEU 118 -1.906 5.026 -12.180 988 H GLU 119 H GLU 119 -2.903 7.622 -8.918 989 HA GLU 119 HA GLU 119 -3.735 10.197 -7.952 990 HB2 GLU 119 1HB GLU 119 -3.152 8.372 -6.455 991 HB3 GLU 119 2HB GLU 119 -1.525 8.277 -7.123 992 HG2 GLU 119 1HG GLU 119 -1.663 9.372 -4.873 993 HG3 GLU 119 2HG GLU 119 -0.871 10.339 -6.119 994 H HIS 120 H HIS 120 -2.620 12.117 -7.771 995 HA HIS 120 HA HIS 120 -1.263 13.835 -8.402 996 HB2 HIS 120 1HB HIS 120 0.497 11.582 -7.829 997 HB3 HIS 120 2HB HIS 120 1.243 12.720 -8.949 998 HD1 HIS 120 HD1 HIS 120 -0.773 13.000 -5.647 999 HD2 HIS 120 HD2 HIS 120 2.581 14.657 -7.577 1000 HE1 HIS 120 HE1 HIS 120 0.265 14.691 -4.041 1001 H HIS 121 H HIS 121 -2.326 11.811 -10.645 1002 HA HIS 121 HA HIS 121 -0.605 12.294 -12.883 1003 HB2 HIS 121 1HB HIS 121 -2.520 10.571 -12.456 1004 HB3 HIS 121 2HB HIS 121 -3.603 11.835 -13.039 1005 HD1 HIS 121 HD1 HIS 121 -4.126 10.010 -14.982 1006 HD2 HIS 121 HD2 HIS 121 -0.256 11.632 -14.995 1007 HE1 HIS 121 HE1 HIS 121 -3.097 9.475 -17.260 1008 H HIS 122 H HIS 122 -0.185 14.297 -13.694 1009 HA HIS 122 HA HIS 122 -1.902 16.546 -13.096 1010 HB2 HIS 122 1HB HIS 122 0.657 16.491 -13.412 1011 HB3 HIS 122 2HB HIS 122 0.335 16.559 -15.147 1012 HD1 HIS 122 HD1 HIS 122 1.868 18.869 -13.723 1013 HD2 HIS 122 HD2 HIS 122 -2.290 18.843 -14.295 1014 HE1 HIS 122 HE1 HIS 122 1.084 21.294 -13.607 1015 H HIS 123 H HIS 123 -3.853 15.563 -14.004 1016 HA HIS 123 HA HIS 123 -4.232 15.082 -16.790 1017 HB2 HIS 123 1HB HIS 123 -5.643 14.561 -14.581 1018 HB3 HIS 123 2HB HIS 123 -6.451 16.075 -14.993 1019 HD1 HIS 123 HD1 HIS 123 -7.284 16.043 -17.785 1020 HD2 HIS 123 HD2 HIS 123 -6.910 12.434 -15.650 1021 HE1 HIS 123 HE1 HIS 123 -8.670 14.291 -19.013 1022 H HIS 124 H HIS 124 -4.138 16.565 -18.420 1023 HA HIS 124 HA HIS 124 -4.473 19.430 -17.942 1024 HB2 HIS 124 1HB HIS 124 -3.839 17.669 -20.222 1025 HB3 HIS 124 2HB HIS 124 -4.986 18.942 -20.654 1026 HD1 HIS 124 HD1 HIS 124 -1.376 18.405 -19.647 1027 HD2 HIS 124 HD2 HIS 124 -3.962 21.579 -20.572 1028 HE1 HIS 124 HE1 HIS 124 0.078 20.473 -19.992 1029 H HIS 125 H HIS 125 -6.316 20.673 -18.732 1030 HA HIS 125 HA HIS 125 -8.773 19.267 -19.501 1031 HB2 HIS 125 1HB HIS 125 -8.798 19.370 -16.925 1032 HB3 HIS 125 2HB HIS 125 -8.668 21.128 -17.072 1033 HD1 HIS 125 HD1 HIS 125 -11.137 19.932 -15.649 1034 HD2 HIS 125 HD2 HIS 125 -11.008 20.803 -19.750 1035 HE1 HIS 125 HE1 HIS 125 -13.550 20.234 -16.420 Start of MODEL 35 1 H21 MYR 1 1H2 MYR 1 0.444 0.114 -0.814 2 H22 MYR 1 2H2 MYR 1 1.906 -0.044 0.141 3 H31 MYR 1 1H3 MYR 1 -0.535 -1.895 0.474 4 H32 MYR 1 2H3 MYR 1 0.788 -2.253 -0.634 5 H41 MYR 1 1H4 MYR 1 2.409 -2.114 1.330 6 H42 MYR 1 2H4 MYR 1 1.052 -1.898 2.403 7 H51 MYR 1 1H5 MYR 1 1.418 -4.374 0.623 8 H52 MYR 1 2H5 MYR 1 2.035 -4.271 2.259 9 H61 MYR 1 1H6 MYR 1 -0.931 -4.077 1.481 10 H62 MYR 1 2H6 MYR 1 -0.157 -5.512 2.114 11 H71 MYR 1 1H7 MYR 1 -0.499 -2.869 3.662 12 H72 MYR 1 2H7 MYR 1 -1.530 -4.266 3.791 13 H81 MYR 1 1H8 MYR 1 0.842 -5.497 4.413 14 H82 MYR 1 2H8 MYR 1 1.248 -3.846 4.855 15 H91 MYR 1 1H9 MYR 1 -0.989 -3.845 6.228 16 H92 MYR 1 2H9 MYR 1 0.409 -4.674 6.887 17 H101 MYR 1 1H10 MYR 1 -0.446 -6.865 6.124 18 H102 MYR 1 2H10 MYR 1 -1.799 -6.116 5.295 19 H111 MYR 1 1H11 MYR 1 -2.189 -7.191 7.652 20 H112 MYR 1 2H11 MYR 1 -1.383 -5.779 8.309 21 H121 MYR 1 1H12 MYR 1 -3.136 -4.310 7.161 22 H122 MYR 1 2H12 MYR 1 -3.945 -5.770 6.597 23 H131 MYR 1 1H13 MYR 1 -4.330 -6.499 8.957 24 H132 MYR 1 2H13 MYR 1 -3.466 -5.087 9.561 25 H141 MYR 1 1H14 MYR 1 -5.990 -4.831 9.617 26 H142 MYR 1 2H14 MYR 1 -5.187 -3.567 8.676 27 H143 MYR 1 3H14 MYR 1 -6.010 -4.902 7.849 28 H GLY 2 H GLY 2 1.882 0.514 2.320 29 HA2 GLY 2 1HA GLY 2 -0.364 1.208 3.912 30 HA3 GLY 2 2HA GLY 2 1.302 1.738 4.181 31 H GLN 3 H GLN 3 1.627 3.113 1.647 32 HA GLN 3 HA GLN 3 0.481 5.644 2.435 33 HB2 GLN 3 1HB GLN 3 1.855 4.742 -0.117 34 HB3 GLN 3 2HB GLN 3 1.328 6.404 0.189 35 HG2 GLN 3 1HG GLN 3 2.756 6.436 2.240 36 HG3 GLN 3 2HG GLN 3 3.376 4.847 1.787 37 HE21 GLN 3 2HE2 GLN 3 5.045 4.713 0.379 38 HE22 GLN 3 1HE2 GLN 3 5.688 6.095 -0.493 39 H GLU 4 H GLU 4 -0.509 3.169 0.011 40 HA GLU 4 HA GLU 4 -2.589 4.975 -0.947 41 HB2 GLU 4 1HB GLU 4 -3.285 3.333 -2.434 42 HB3 GLU 4 2HB GLU 4 -1.527 3.258 -2.424 43 HG2 GLU 4 1HG GLU 4 -1.535 1.232 -1.167 44 HG3 GLU 4 2HG GLU 4 -3.278 1.337 -0.866 45 H LEU 5 H LEU 5 -2.303 2.412 1.475 46 HA LEU 5 HA LEU 5 -5.103 2.026 1.897 47 HB2 LEU 5 1HB LEU 5 -2.674 1.729 3.673 48 HB3 LEU 5 2HB LEU 5 -4.291 1.392 4.253 49 HG LEU 5 HG LEU 5 -3.011 -0.038 1.911 50 HD11 LEU 5 1HD1 LEU 5 -2.727 -1.914 3.486 51 HD12 LEU 5 2HD1 LEU 5 -3.317 -0.889 4.812 52 HD13 LEU 5 3HD1 LEU 5 -1.793 -0.494 3.981 53 HD21 LEU 5 3HD2 LEU 5 -5.490 -0.046 1.898 54 HD22 LEU 5 1HD2 LEU 5 -5.479 -0.762 3.522 55 HD23 LEU 5 2HD2 LEU 5 -4.798 -1.653 2.144 56 H SER 6 H SER 6 -2.791 4.350 3.354 57 HA SER 6 HA SER 6 -4.592 5.561 5.157 58 HB2 SER 6 1HB SER 6 -2.075 5.872 4.961 59 HB3 SER 6 2HB SER 6 -2.401 6.995 3.627 60 HG SER 6 HG SER 6 -3.831 8.091 5.189 61 H GLN 7 H GLN 7 -4.761 5.706 1.693 62 HA GLN 7 HA GLN 7 -6.544 8.090 1.905 63 HB2 GLN 7 1HB GLN 7 -5.864 8.644 -0.381 64 HB3 GLN 7 2HB GLN 7 -4.511 8.708 0.739 65 HG2 GLN 7 1HG GLN 7 -3.813 6.476 -0.048 66 HG3 GLN 7 2HG GLN 7 -5.112 6.499 -1.242 67 HE21 GLN 7 2HE2 GLN 7 -1.900 7.138 -0.650 68 HE22 GLN 7 1HE2 GLN 7 -1.587 8.140 -2.053 69 H HIS 8 H HIS 8 -6.991 5.096 2.115 70 HA HIS 8 HA HIS 8 -9.065 4.941 -0.066 71 HB2 HIS 8 1HB HIS 8 -7.569 2.725 1.393 72 HB3 HIS 8 2HB HIS 8 -9.019 2.460 0.425 73 HD1 HIS 8 HD1 HIS 8 -7.466 4.958 -1.517 74 HD2 HIS 8 HD2 HIS 8 -6.520 0.937 -0.773 75 HE1 HIS 8 HE1 HIS 8 -5.955 4.171 -3.421 76 H GLU 9 H GLU 9 -10.452 6.225 1.139 77 HA GLU 9 HA GLU 9 -10.648 6.312 3.853 78 HB2 GLU 9 1HB GLU 9 -12.825 6.827 1.834 79 HB3 GLU 9 2HB GLU 9 -12.859 7.354 3.528 80 HG2 GLU 9 1HG GLU 9 -10.726 8.595 3.142 81 HG3 GLU 9 2HG GLU 9 -10.815 8.159 1.427 82 H ARG 10 H ARG 10 -12.559 3.964 1.911 83 HA ARG 10 HA ARG 10 -14.318 3.136 3.984 84 HB2 ARG 10 1HB ARG 10 -12.903 1.450 1.887 85 HB3 ARG 10 2HB ARG 10 -14.230 0.892 2.915 86 HG2 ARG 10 1HG ARG 10 -15.768 2.450 1.853 87 HG3 ARG 10 2HG ARG 10 -14.456 3.097 0.847 88 HD2 ARG 10 1HD ARG 10 -16.155 0.932 0.199 89 HD3 ARG 10 2HD ARG 10 -14.680 1.406 -0.659 90 HE ARG 10 HE ARG 10 -13.920 -0.231 1.537 91 HH11 ARG 10 1HH1 ARG 10 -15.647 -0.659 -1.534 92 HH12 ARG 10 2HH1 ARG 10 -15.146 -2.331 -1.646 93 HH21 ARG 10 1HH2 ARG 10 -13.368 -2.317 1.293 94 HH22 ARG 10 2HH2 ARG 10 -13.909 -3.265 -0.079 95 H TYR 11 H TYR 11 -10.941 2.281 3.371 96 HA TYR 11 HA TYR 11 -10.856 0.258 5.483 97 HB2 TYR 11 1HB TYR 11 -9.517 -0.051 3.505 98 HB3 TYR 11 2HB TYR 11 -8.806 1.555 3.666 99 HD1 TYR 11 HD2 TYR 11 -8.901 -1.837 5.218 100 HD2 TYR 11 HD1 TYR 11 -6.893 1.962 5.009 101 HE1 TYR 11 HE2 TYR 11 -6.987 -2.759 6.511 102 HE2 TYR 11 HE1 TYR 11 -4.990 1.008 6.292 103 HH TYR 11 HH TYR 11 -4.919 -2.405 7.307 104 H VAL 12 H VAL 12 -9.918 3.648 4.976 105 HA VAL 12 HA VAL 12 -8.408 4.010 7.357 106 HB VAL 12 HB VAL 12 -10.113 6.008 5.802 107 HG11 VAL 12 1HG1 VAL 12 -9.727 6.873 8.053 108 HG12 VAL 12 2HG1 VAL 12 -7.992 6.527 7.917 109 HG13 VAL 12 3HG1 VAL 12 -8.741 7.765 6.883 110 HG21 VAL 12 3HG2 VAL 12 -7.104 5.513 5.771 111 HG22 VAL 12 1HG2 VAL 12 -8.231 4.969 4.519 112 HG23 VAL 12 2HG2 VAL 12 -7.988 6.703 4.789 113 H GLU 13 H GLU 13 -11.980 4.231 6.783 114 HA GLU 13 HA GLU 13 -12.611 5.254 9.355 115 HB2 GLU 13 1HB GLU 13 -14.233 3.288 7.692 116 HB3 GLU 13 2HB GLU 13 -14.827 4.216 9.073 117 HG2 GLU 13 1HG GLU 13 -14.021 5.230 6.358 118 HG3 GLU 13 2HG GLU 13 -15.586 5.364 7.152 119 H GLN 14 H GLN 14 -12.133 1.856 8.329 120 HA GLN 14 HA GLN 14 -12.811 0.732 10.876 121 HB2 GLN 14 1HB GLN 14 -10.867 -0.296 8.771 122 HB3 GLN 14 2HB GLN 14 -11.492 -1.228 10.133 123 HG2 GLN 14 1HG GLN 14 -13.099 -0.109 7.819 124 HG3 GLN 14 2HG GLN 14 -12.688 -1.807 8.102 125 HE21 GLN 14 2HE2 GLN 14 -13.322 -2.462 10.535 126 HE22 GLN 14 1HE2 GLN 14 -14.988 -2.059 10.915 127 H LEU 15 H LEU 15 -9.750 1.955 9.479 128 HA LEU 15 HA LEU 15 -8.212 1.199 11.802 129 HB2 LEU 15 1HB LEU 15 -7.684 3.082 9.513 130 HB3 LEU 15 2HB LEU 15 -6.576 2.902 10.855 131 HG LEU 15 HG LEU 15 -7.208 0.908 8.699 132 HD11 LEU 15 1HD1 LEU 15 -5.482 2.586 8.295 133 HD12 LEU 15 2HD1 LEU 15 -4.708 1.008 8.543 134 HD13 LEU 15 3HD1 LEU 15 -4.697 2.209 9.849 135 HD21 LEU 15 3HD2 LEU 15 -5.696 -0.695 9.887 136 HD22 LEU 15 1HD2 LEU 15 -7.246 -0.463 10.713 137 HD23 LEU 15 2HD2 LEU 15 -5.780 0.339 11.334 138 H LYS 16 H LYS 16 -10.213 4.027 11.126 139 HA LYS 16 HA LYS 16 -8.943 5.822 12.982 140 HB2 LYS 16 1HB LYS 16 -11.836 5.519 12.106 141 HB3 LYS 16 2HB LYS 16 -11.328 6.744 13.266 142 HG2 LYS 16 1HG LYS 16 -9.863 7.778 11.605 143 HG3 LYS 16 2HG LYS 16 -10.290 6.525 10.427 144 HD2 LYS 16 1HD LYS 16 -12.673 7.193 10.602 145 HD3 LYS 16 2HD LYS 16 -12.214 8.504 11.701 146 HE2 LYS 16 1HE LYS 16 -10.882 9.562 9.935 147 HE3 LYS 16 2HE LYS 16 -11.187 8.186 8.853 148 HZ1 LYS 16 3HZ LYS 16 -13.291 9.996 9.888 149 HZ2 LYS 16 1HZ LYS 16 -13.526 8.705 8.879 150 HZ3 LYS 16 2HZ LYS 16 -12.672 10.012 8.356 151 H GLN 17 H GLN 17 -11.232 3.162 13.332 152 HA GLN 17 HA GLN 17 -11.407 3.573 16.237 153 HB2 GLN 17 1HB GLN 17 -12.381 1.376 14.393 154 HB3 GLN 17 2HB GLN 17 -12.692 1.420 16.132 155 HG2 GLN 17 1HG GLN 17 -13.575 3.614 14.221 156 HG3 GLN 17 2HG GLN 17 -14.574 2.220 14.642 157 HE21 GLN 17 2HE2 GLN 17 -15.716 2.219 16.488 158 HE22 GLN 17 1HE2 GLN 17 -15.650 3.494 17.682 159 H ALA 18 H ALA 18 -9.889 1.214 13.964 160 HA ALA 18 HA ALA 18 -8.914 -0.511 15.965 161 HB1 ALA 18 3HB ALA 18 -7.528 -1.479 14.278 162 HB2 ALA 18 1HB ALA 18 -9.035 -0.963 13.487 163 HB3 ALA 18 2HB ALA 18 -7.551 0.005 13.308 164 H LEU 19 H LEU 19 -7.284 2.418 14.612 165 HA LEU 19 HA LEU 19 -4.760 1.945 15.873 166 HB2 LEU 19 1HB LEU 19 -6.163 4.283 14.686 167 HB3 LEU 19 2HB LEU 19 -5.051 4.687 15.985 168 HG LEU 19 HG LEU 19 -3.321 3.277 14.707 169 HD11 LEU 19 1HD1 LEU 19 -3.525 3.330 12.224 170 HD12 LEU 19 2HD1 LEU 19 -5.217 3.867 12.408 171 HD13 LEU 19 3HD1 LEU 19 -4.731 2.258 12.990 172 HD21 LEU 19 3HD2 LEU 19 -4.242 5.958 13.626 173 HD22 LEU 19 1HD2 LEU 19 -2.653 5.221 13.297 174 HD23 LEU 19 2HD2 LEU 19 -3.099 5.684 14.960 175 H LYS 20 H LYS 20 -7.804 3.338 17.091 176 HA LYS 20 HA LYS 20 -6.640 4.165 19.618 177 HB2 LYS 20 1HB LYS 20 -9.538 3.720 18.828 178 HB3 LYS 20 2HB LYS 20 -8.991 4.427 20.349 179 HG2 LYS 20 1HG LYS 20 -7.782 6.185 18.919 180 HG3 LYS 20 2HG LYS 20 -8.769 5.601 17.570 181 HD2 LYS 20 1HD LYS 20 -9.858 6.600 20.241 182 HD3 LYS 20 2HD LYS 20 -9.741 7.595 18.784 183 HE2 LYS 20 1HE LYS 20 -11.354 5.011 18.914 184 HE3 LYS 20 2HE LYS 20 -12.033 6.603 19.281 185 HZ1 LYS 20 3HZ LYS 20 -11.562 7.308 17.063 186 HZ2 LYS 20 1HZ LYS 20 -12.408 5.889 16.984 187 HZ3 LYS 20 2HZ LYS 20 -10.778 5.901 16.695 188 H THR 21 H THR 21 -7.995 1.080 18.497 189 HA THR 21 HA THR 21 -8.820 0.161 21.069 190 HB THR 21 HB THR 21 -8.690 -2.143 20.183 191 HG1 THR 21 HG1 THR 21 -7.399 -0.887 17.958 192 HG21 THR 21 1HG2 THR 21 -10.255 -1.940 18.365 193 HG22 THR 21 2HG2 THR 21 -9.758 -0.270 18.055 194 HG23 THR 21 3HG2 THR 21 -10.612 -0.673 19.558 195 H ARG 22 H ARG 22 -5.599 0.268 19.631 196 HA ARG 22 HA ARG 22 -4.560 -1.443 21.816 197 HB2 ARG 22 1HB ARG 22 -3.814 -1.026 19.167 198 HB3 ARG 22 2HB ARG 22 -2.585 -0.139 20.070 199 HG2 ARG 22 1HG ARG 22 -3.326 -3.052 20.592 200 HG3 ARG 22 2HG ARG 22 -1.991 -2.539 19.547 201 HD2 ARG 22 1HD ARG 22 -0.935 -1.382 21.462 202 HD3 ARG 22 2HD ARG 22 -2.264 -1.911 22.509 203 HE ARG 22 HE ARG 22 -1.206 -4.235 21.324 204 HH11 ARG 22 1HH1 ARG 22 -0.158 -1.757 23.624 205 HH12 ARG 22 2HH1 ARG 22 0.947 -2.843 24.422 206 HH21 ARG 22 1HH2 ARG 22 0.234 -5.538 22.344 207 HH22 ARG 22 2HH2 ARG 22 1.153 -4.957 23.721 208 H GLY 23 H GLY 23 -5.368 1.788 21.435 209 HA2 GLY 23 1HA GLY 23 -4.999 3.574 22.831 210 HA3 GLY 23 2HA GLY 23 -4.070 2.509 23.890 211 H VAL 24 H VAL 24 -2.733 2.346 20.813 212 HA VAL 24 HA VAL 24 -0.424 3.864 21.747 213 HB VAL 24 HB VAL 24 -0.895 2.351 19.135 214 HG11 VAL 24 1HG1 VAL 24 1.588 2.436 18.924 215 HG12 VAL 24 2HG1 VAL 24 0.842 4.038 18.836 216 HG13 VAL 24 3HG1 VAL 24 1.656 3.523 20.332 217 HG21 VAL 24 3HG2 VAL 24 0.543 0.615 20.179 218 HG22 VAL 24 1HG2 VAL 24 0.632 1.580 21.670 219 HG23 VAL 24 2HG2 VAL 24 -0.916 0.891 21.144 220 H LYS 25 H LYS 25 -0.547 5.972 21.687 221 HA LYS 25 HA LYS 25 -2.199 7.365 19.718 222 HB2 LYS 25 1HB LYS 25 -0.349 8.362 21.919 223 HB3 LYS 25 2HB LYS 25 -1.414 9.390 20.949 224 HG2 LYS 25 1HG LYS 25 -3.392 8.277 21.864 225 HG3 LYS 25 2HG LYS 25 -2.376 7.107 22.719 226 HD2 LYS 25 1HD LYS 25 -3.078 8.697 24.340 227 HD3 LYS 25 2HD LYS 25 -1.365 9.017 24.014 228 HE2 LYS 25 1HE LYS 25 -2.003 10.887 22.514 229 HE3 LYS 25 2HE LYS 25 -3.720 10.549 22.824 230 HZ1 LYS 25 3HZ LYS 25 -3.325 11.041 25.167 231 HZ2 LYS 25 1HZ LYS 25 -2.898 12.333 24.235 232 HZ3 LYS 25 2HZ LYS 25 -1.733 11.357 24.876 233 H VAL 26 H VAL 26 -1.123 6.766 17.767 234 HA VAL 26 HA VAL 26 1.274 8.483 17.240 235 HB VAL 26 HB VAL 26 1.931 6.794 15.469 236 HG11 VAL 26 1HG1 VAL 26 1.951 5.847 18.361 237 HG12 VAL 26 2HG1 VAL 26 2.972 5.187 17.061 238 HG13 VAL 26 3HG1 VAL 26 3.153 6.880 17.564 239 HG21 VAL 26 3HG2 VAL 26 1.075 4.490 15.638 240 HG22 VAL 26 1HG2 VAL 26 -0.067 4.981 16.905 241 HG23 VAL 26 2HG2 VAL 26 -0.237 5.620 15.254 242 H LYS 27 H LYS 27 1.410 9.176 14.986 243 HA LYS 27 HA LYS 27 -1.193 10.107 14.063 244 HB2 LYS 27 1HB LYS 27 1.035 11.336 13.953 245 HB3 LYS 27 2HB LYS 27 1.506 10.213 12.681 246 HG2 LYS 27 1HG LYS 27 -0.102 11.079 11.166 247 HG3 LYS 27 2HG LYS 27 -0.945 11.954 12.458 248 HD2 LYS 27 1HD LYS 27 0.347 13.555 11.179 249 HD3 LYS 27 2HD LYS 27 1.083 13.394 12.779 250 HE2 LYS 27 1HE LYS 27 2.196 11.580 10.691 251 HE3 LYS 27 2HE LYS 27 2.451 13.305 10.396 252 HZ1 LYS 27 3HZ LYS 27 3.495 13.443 12.602 253 HZ2 LYS 27 1HZ LYS 27 4.277 12.359 11.629 254 HZ3 LYS 27 2HZ LYS 27 3.297 11.812 12.822 255 H PHE 28 H PHE 28 -2.250 9.448 12.139 256 HA PHE 28 HA PHE 28 -2.171 6.699 11.432 257 HB2 PHE 28 1HB PHE 28 -3.445 9.201 10.546 258 HB3 PHE 28 2HB PHE 28 -2.994 8.226 9.147 259 HD1 PHE 28 HD2 PHE 28 -4.948 8.170 12.330 260 HD2 PHE 28 HD1 PHE 28 -4.252 6.354 8.494 261 HE1 PHE 28 HE2 PHE 28 -7.019 6.818 12.594 262 HE2 PHE 28 HE1 PHE 28 -6.311 5.000 8.752 263 HZ PHE 28 HZ PHE 28 -7.707 5.248 10.786 264 H ALA 29 H ALA 29 -0.692 9.509 9.751 265 HA ALA 29 HA ALA 29 0.406 8.054 7.605 266 HB1 ALA 29 3HB ALA 29 1.573 10.489 9.009 267 HB2 ALA 29 1HB ALA 29 1.929 9.951 7.354 268 HB3 ALA 29 2HB ALA 29 0.300 10.541 7.759 269 H ASP 30 H ASP 30 1.625 8.573 10.907 270 HA ASP 30 HA ASP 30 4.249 7.527 10.378 271 HB2 ASP 30 1HB ASP 30 2.687 7.805 12.972 272 HB3 ASP 30 2HB ASP 30 4.392 7.349 12.872 273 H LEU 31 H LEU 31 1.129 6.124 11.436 274 HA LEU 31 HA LEU 31 2.349 3.582 12.006 275 HB2 LEU 31 1HB LEU 31 -0.096 4.663 12.600 276 HB3 LEU 31 2HB LEU 31 -0.506 3.457 11.348 277 HG LEU 31 HG LEU 31 1.140 2.966 13.896 278 HD11 LEU 31 1HD1 LEU 31 -1.214 3.291 14.361 279 HD12 LEU 31 2HD1 LEU 31 -0.725 1.613 14.651 280 HD13 LEU 31 3HD1 LEU 31 -1.637 2.024 13.178 281 HD21 LEU 31 3HD2 LEU 31 0.829 0.528 13.308 282 HD22 LEU 31 1HD2 LEU 31 1.940 1.427 12.262 283 HD23 LEU 31 2HD2 LEU 31 0.292 1.079 11.703 284 H LEU 32 H LEU 32 0.208 4.705 9.380 285 HA LEU 32 HA LEU 32 0.489 2.336 7.816 286 HB2 LEU 32 1HB LEU 32 -0.182 5.182 7.113 287 HB3 LEU 32 2HB LEU 32 0.058 3.990 5.855 288 HG LEU 32 HG LEU 32 -2.236 4.145 6.158 289 HD11 LEU 32 1HD1 LEU 32 -1.417 1.798 6.003 290 HD12 LEU 32 2HD1 LEU 32 -3.002 1.975 6.772 291 HD13 LEU 32 3HD1 LEU 32 -1.566 1.685 7.774 292 HD21 LEU 32 3HD2 LEU 32 -2.218 5.301 8.226 293 HD22 LEU 32 1HD2 LEU 32 -1.869 3.785 9.088 294 HD23 LEU 32 2HD2 LEU 32 -3.407 3.989 8.202 295 H LYS 33 H LYS 33 2.786 4.907 8.269 296 HA LYS 33 HA LYS 33 4.401 4.512 5.947 297 HB2 LYS 33 1HB LYS 33 4.917 6.234 7.614 298 HB3 LYS 33 2HB LYS 33 5.268 4.993 8.822 299 HG2 LYS 33 1HG LYS 33 7.186 4.224 7.588 300 HG3 LYS 33 2HG LYS 33 6.802 5.309 6.235 301 HD2 LYS 33 1HD LYS 33 7.197 7.260 7.665 302 HD3 LYS 33 2HD LYS 33 7.489 6.201 9.060 303 HE2 LYS 33 1HE LYS 33 9.624 6.942 8.117 304 HE3 LYS 33 2HE LYS 33 9.429 5.193 7.901 305 HZ1 LYS 33 3HZ LYS 33 8.769 5.607 5.605 306 HZ2 LYS 33 1HZ LYS 33 10.264 6.243 5.891 307 HZ3 LYS 33 2HZ LYS 33 8.948 7.234 5.801 308 H PHE 34 H PHE 34 4.131 2.570 8.934 309 HA PHE 34 HA PHE 34 6.259 0.768 8.068 310 HB2 PHE 34 1HB PHE 34 4.317 0.775 10.375 311 HB3 PHE 34 2HB PHE 34 5.443 -0.546 10.086 312 HD1 PHE 34 HD1 PHE 34 5.160 3.019 10.978 313 HD2 PHE 34 HD2 PHE 34 7.843 -0.287 10.430 314 HE1 PHE 34 HE1 PHE 34 6.959 4.324 12.077 315 HE2 PHE 34 HE2 PHE 34 9.669 1.011 11.524 316 HZ PHE 34 HZ PHE 34 9.228 3.328 12.346 317 H PHE 35 H PHE 35 2.791 0.949 7.661 318 HA PHE 35 HA PHE 35 2.450 -1.814 6.775 319 HB2 PHE 35 1HB PHE 35 0.866 0.741 6.347 320 HB3 PHE 35 2HB PHE 35 0.457 -0.753 5.519 321 HD1 PHE 35 HD1 PHE 35 1.442 -0.046 9.126 322 HD2 PHE 35 HD2 PHE 35 -1.480 -1.619 6.385 323 HE1 PHE 35 HE1 PHE 35 0.040 -0.792 11.027 324 HE2 PHE 35 HE2 PHE 35 -2.874 -2.353 8.306 325 HZ PHE 35 HZ PHE 35 -2.125 -1.914 10.631 326 H ASP 36 H ASP 36 3.779 1.155 5.447 327 HA ASP 36 HA ASP 36 3.665 0.171 2.678 328 HB2 ASP 36 1HB ASP 36 3.714 2.652 3.702 329 HB3 ASP 36 2HB ASP 36 5.458 2.417 3.513 330 H PHE 37 H PHE 37 5.954 0.374 5.356 331 HA PHE 37 HA PHE 37 8.342 -0.179 3.952 332 HB2 PHE 37 1HB PHE 37 8.159 0.663 6.275 333 HB3 PHE 37 2HB PHE 37 7.585 -0.923 6.800 334 HD1 PHE 37 HD1 PHE 37 10.491 0.596 4.931 335 HD2 PHE 37 HD2 PHE 37 9.135 -2.408 7.695 336 HE1 PHE 37 HE1 PHE 37 12.848 -0.134 5.288 337 HE2 PHE 37 HE2 PHE 37 11.484 -3.145 8.057 338 HZ PHE 37 HZ PHE 37 13.348 -1.998 6.859 339 H VAL 38 H VAL 38 5.877 -2.446 5.183 340 HA VAL 38 HA VAL 38 7.458 -4.806 4.839 341 HB VAL 38 HB VAL 38 5.554 -5.277 6.060 342 HG11 VAL 38 1HG1 VAL 38 3.913 -3.672 4.120 343 HG12 VAL 38 2HG1 VAL 38 3.274 -4.575 5.508 344 HG13 VAL 38 3HG1 VAL 38 4.373 -3.227 5.785 345 HG21 VAL 38 3HG2 VAL 38 4.066 -6.770 4.835 346 HG22 VAL 38 1HG2 VAL 38 4.502 -6.011 3.289 347 HG23 VAL 38 2HG2 VAL 38 5.710 -6.954 4.194 348 H LYS 39 H LYS 39 5.676 -2.808 2.522 349 HA LYS 39 HA LYS 39 5.591 -4.743 0.415 350 HB2 LYS 39 1HB LYS 39 4.396 -2.467 0.665 351 HB3 LYS 39 2HB LYS 39 5.864 -1.761 -0.007 352 HG2 LYS 39 1HG LYS 39 5.578 -3.149 -2.043 353 HG3 LYS 39 2HG LYS 39 4.100 -3.846 -1.342 354 HD2 LYS 39 1HD LYS 39 3.183 -1.505 -1.158 355 HD3 LYS 39 2HD LYS 39 4.588 -0.928 -2.063 356 HE2 LYS 39 1HE LYS 39 2.569 -2.988 -3.058 357 HE3 LYS 39 2HE LYS 39 2.557 -1.267 -3.482 358 HZ1 LYS 39 3HZ LYS 39 3.636 -2.596 -5.181 359 HZ2 LYS 39 1HZ LYS 39 4.754 -3.157 -4.102 360 HZ3 LYS 39 2HZ LYS 39 4.725 -1.558 -4.503 361 H ASP 40 H ASP 40 8.138 -2.538 1.490 362 HA ASP 40 HA ASP 40 9.826 -2.812 -0.845 363 HB2 ASP 40 1HB ASP 40 10.278 -0.940 0.533 364 HB3 ASP 40 2HB ASP 40 10.213 -1.898 2.014 365 H THR 41 H THR 41 9.943 -4.296 2.432 366 HA THR 41 HA THR 41 12.140 -6.006 1.686 367 HB THR 41 HB THR 41 10.331 -6.574 4.032 368 HG1 THR 41 HG1 THR 41 11.865 -4.253 3.521 369 HG21 THR 41 1HG2 THR 41 12.426 -7.880 3.611 370 HG22 THR 41 2HG2 THR 41 12.439 -6.995 5.147 371 HG23 THR 41 3HG2 THR 41 13.346 -6.364 3.759 372 H CYS 42 H CYS 42 8.654 -6.374 1.652 373 HA CYS 42 HA CYS 42 8.994 -9.232 0.831 374 HB2 CYS 42 1HB CYS 42 6.672 -7.975 2.321 375 HB3 CYS 42 2HB CYS 42 6.830 -9.676 1.866 376 HG CYS 42 HG CYS 42 8.809 -7.915 3.797 377 HA PRO 43 HA PRO 43 6.746 -7.016 -2.539 378 HB2 PRO 43 1HB PRO 43 7.981 -8.205 -4.668 379 HB3 PRO 43 2HB PRO 43 8.694 -6.799 -3.811 380 HG2 PRO 43 1HG PRO 43 9.281 -9.732 -3.427 381 HG3 PRO 43 2HG PRO 43 10.429 -8.381 -3.693 382 HD2 PRO 43 1HD PRO 43 9.887 -9.317 -1.214 383 HD3 PRO 43 2HD PRO 43 10.145 -7.559 -1.513 384 H TRP 44 H TRP 44 7.398 -10.282 -1.616 385 HA TRP 44 HA TRP 44 5.350 -11.470 -3.316 386 HB2 TRP 44 1HB TRP 44 5.897 -13.435 -1.654 387 HB3 TRP 44 2HB TRP 44 7.007 -12.988 -2.960 388 HD1 TRP 44 HD1 TRP 44 6.523 -12.072 0.757 389 HE1 TRP 44 HE1 TRP 44 8.803 -11.707 1.872 390 HE3 TRP 44 HE3 TRP 44 9.405 -12.724 -3.391 391 HZ2 TRP 44 HZ2 TRP 44 11.528 -11.660 1.028 392 HZ3 TRP 44 HZ3 TRP 44 11.889 -12.499 -3.182 393 HH2 TRP 44 HH2 TRP 44 12.927 -11.956 -0.980 394 H PHE 45 H PHE 45 5.303 -9.786 -0.290 395 HA PHE 45 HA PHE 45 3.189 -11.332 0.908 396 HB2 PHE 45 1HB PHE 45 4.575 -9.778 2.203 397 HB3 PHE 45 2HB PHE 45 3.884 -8.407 1.334 398 HD1 PHE 45 HD2 PHE 45 3.116 -11.186 3.695 399 HD2 PHE 45 HD1 PHE 45 1.732 -7.509 1.933 400 HE1 PHE 45 HE2 PHE 45 1.255 -11.099 5.343 401 HE2 PHE 45 HE1 PHE 45 -0.144 -7.429 3.568 402 HZ PHE 45 HZ PHE 45 -0.373 -9.216 5.288 403 HA PRO 46 HA PRO 46 0.074 -8.514 -1.025 404 HB2 PRO 46 1HB PRO 46 0.570 -6.966 -3.212 405 HB3 PRO 46 2HB PRO 46 0.805 -6.362 -1.539 406 HG2 PRO 46 1HG PRO 46 2.842 -7.516 -3.426 407 HG3 PRO 46 2HG PRO 46 2.896 -5.972 -2.516 408 HD2 PRO 46 1HD PRO 46 4.121 -8.181 -1.594 409 HD3 PRO 46 2HD PRO 46 3.285 -7.055 -0.475 410 H GLN 47 H GLN 47 2.579 -10.037 -2.954 411 HA GLN 47 HA GLN 47 1.021 -10.726 -5.241 412 HB2 GLN 47 1HB GLN 47 3.552 -10.877 -4.946 413 HB3 GLN 47 2HB GLN 47 3.269 -12.345 -4.006 414 HG2 GLN 47 1HG GLN 47 1.961 -13.161 -6.084 415 HG3 GLN 47 2HG GLN 47 2.824 -11.870 -6.931 416 HE21 GLN 47 2HE2 GLN 47 5.270 -11.880 -6.498 417 HE22 GLN 47 1HE2 GLN 47 6.035 -13.451 -6.498 418 H GLU 48 H GLU 48 1.509 -12.359 -2.076 419 HA GLU 48 HA GLU 48 0.094 -14.752 -2.855 420 HB2 GLU 48 1HB GLU 48 0.713 -13.564 -0.124 421 HB3 GLU 48 2HB GLU 48 -0.106 -15.114 -0.360 422 HG2 GLU 48 1HG GLU 48 1.904 -15.845 -1.753 423 HG3 GLU 48 2HG GLU 48 2.737 -14.404 -1.165 424 H GLY 49 H GLY 49 -0.939 -11.561 -1.882 425 HA2 GLY 49 1HA GLY 49 -3.049 -10.643 -1.770 426 HA3 GLY 49 2HA GLY 49 -3.590 -12.004 -2.741 427 H THR 50 H THR 50 -2.134 -12.635 0.346 428 HA THR 50 HA THR 50 -4.814 -13.258 1.509 429 HB THR 50 HB THR 50 -2.325 -15.039 1.532 430 HG1 THR 50 HG1 THR 50 -3.451 -14.956 -0.506 431 HG21 THR 50 1HG2 THR 50 -5.106 -15.348 2.704 432 HG22 THR 50 2HG2 THR 50 -3.522 -15.516 3.511 433 HG23 THR 50 3HG2 THR 50 -4.056 -16.742 2.352 434 H ILE 51 H ILE 51 -4.995 -12.519 3.567 435 HA ILE 51 HA ILE 51 -2.439 -11.828 4.983 436 HB ILE 51 HB ILE 51 -5.021 -10.210 4.935 437 HG12 ILE 51 1HG1 ILE 51 -2.222 -9.577 3.903 438 HG13 ILE 51 2HG1 ILE 51 -3.577 -10.054 2.886 439 HG21 ILE 51 1HG2 ILE 51 -3.875 -8.607 6.401 440 HG22 ILE 51 2HG2 ILE 51 -3.861 -10.192 7.186 441 HG23 ILE 51 3HG2 ILE 51 -2.386 -9.590 6.386 442 HD11 ILE 51 3HD1 ILE 51 -4.808 -8.053 3.611 443 HD12 ILE 51 1HD1 ILE 51 -3.370 -7.534 4.524 444 HD13 ILE 51 2HD1 ILE 51 -3.290 -7.695 2.760 445 H ASP 52 H ASP 52 -2.182 -13.086 6.574 446 HA ASP 52 HA ASP 52 -4.268 -13.523 8.601 447 HB2 ASP 52 1HB ASP 52 -4.588 -15.484 7.090 448 HB3 ASP 52 2HB ASP 52 -2.843 -15.787 7.151 449 H ILE 53 H ILE 53 -3.015 -14.638 10.485 450 HA ILE 53 HA ILE 53 -0.578 -13.201 10.867 451 HB ILE 53 HB ILE 53 -2.127 -13.928 12.627 452 HG12 ILE 53 1HG1 ILE 53 -0.428 -14.605 14.312 453 HG13 ILE 53 2HG1 ILE 53 0.703 -14.974 13.011 454 HG21 ILE 53 1HG2 ILE 53 -2.664 -16.177 11.820 455 HG22 ILE 53 2HG2 ILE 53 -1.020 -16.718 12.248 456 HG23 ILE 53 3HG2 ILE 53 -2.145 -16.184 13.517 457 HD11 ILE 53 3HD1 ILE 53 1.043 -12.751 14.188 458 HD12 ILE 53 1HD1 ILE 53 0.930 -12.661 12.419 459 HD13 ILE 53 2HD1 ILE 53 -0.464 -12.201 13.426 460 H LYS 54 H LYS 54 -1.260 -16.432 9.587 461 HA LYS 54 HA LYS 54 1.473 -17.374 9.762 462 HB2 LYS 54 1HB LYS 54 -0.769 -18.111 7.851 463 HB3 LYS 54 2HB LYS 54 0.745 -19.014 8.033 464 HG2 LYS 54 1HG LYS 54 0.191 -19.567 10.352 465 HG3 LYS 54 2HG LYS 54 -1.246 -18.537 10.288 466 HD2 LYS 54 1HD LYS 54 -1.596 -20.253 8.120 467 HD3 LYS 54 2HD LYS 54 -0.890 -21.297 9.368 468 HE2 LYS 54 1HE LYS 54 -3.366 -19.531 9.654 469 HE3 LYS 54 2HE LYS 54 -3.359 -21.294 9.499 470 HZ1 LYS 54 3HZ LYS 54 -3.636 -20.618 11.788 471 HZ2 LYS 54 1HZ LYS 54 -2.232 -19.757 11.767 472 HZ3 LYS 54 2HZ LYS 54 -2.193 -21.402 11.631 473 H ARG 55 H ARG 55 -0.264 -15.336 7.472 474 HA ARG 55 HA ARG 55 1.911 -15.381 5.483 475 HB2 ARG 55 1HB ARG 55 -0.473 -13.506 5.755 476 HB3 ARG 55 2HB ARG 55 0.547 -13.687 4.330 477 HG2 ARG 55 1HG ARG 55 -1.093 -16.003 5.441 478 HG3 ARG 55 2HG ARG 55 -1.765 -14.817 4.327 479 HD2 ARG 55 1HD ARG 55 -0.053 -15.358 2.657 480 HD3 ARG 55 2HD ARG 55 0.653 -16.520 3.774 481 HE ARG 55 HE ARG 55 -2.060 -17.206 3.373 482 HH11 ARG 55 1HH1 ARG 55 0.992 -17.236 1.595 483 HH12 ARG 55 2HH1 ARG 55 0.496 -18.588 0.603 484 HH21 ARG 55 1HH2 ARG 55 -2.608 -18.928 2.033 485 HH22 ARG 55 2HH2 ARG 55 -1.470 -19.525 0.842 486 H TRP 56 H TRP 56 0.650 -13.227 8.035 487 HA TRP 56 HA TRP 56 2.439 -11.048 7.525 488 HB2 TRP 56 1HB TRP 56 0.301 -10.982 8.827 489 HB3 TRP 56 2HB TRP 56 1.113 -11.846 10.137 490 HD1 TRP 56 HD1 TRP 56 1.997 -10.270 11.963 491 HE1 TRP 56 HE1 TRP 56 2.754 -7.850 12.186 492 HE3 TRP 56 HE3 TRP 56 1.547 -8.950 7.047 493 HZ2 TRP 56 HZ2 TRP 56 3.151 -5.628 10.443 494 HZ3 TRP 56 HZ3 TRP 56 2.168 -6.626 6.366 495 HH2 TRP 56 HH2 TRP 56 2.956 -4.981 8.067 496 H ARG 57 H ARG 57 2.800 -14.066 9.305 497 HA ARG 57 HA ARG 57 5.100 -13.363 10.831 498 HB2 ARG 57 1HB ARG 57 3.894 -15.893 9.818 499 HB3 ARG 57 2HB ARG 57 5.566 -15.946 10.402 500 HG2 ARG 57 1HG ARG 57 4.974 -15.303 12.575 501 HG3 ARG 57 2HG ARG 57 3.408 -14.646 12.068 502 HD2 ARG 57 1HD ARG 57 2.484 -16.806 11.717 503 HD3 ARG 57 2HD ARG 57 4.073 -17.591 11.850 504 HE ARG 57 HE ARG 57 2.332 -16.690 14.030 505 HH11 ARG 57 1HH1 ARG 57 5.629 -17.692 13.204 506 HH12 ARG 57 2HH1 ARG 57 5.996 -18.142 14.846 507 HH21 ARG 57 1HH2 ARG 57 2.881 -17.287 16.097 508 HH22 ARG 57 2HH2 ARG 57 4.468 -17.917 16.450 509 H ARG 58 H ARG 58 4.784 -14.395 7.431 510 HA ARG 58 HA ARG 58 7.516 -14.777 6.824 511 HB2 ARG 58 1HB ARG 58 5.433 -13.332 5.125 512 HB3 ARG 58 2HB ARG 58 6.994 -13.899 4.563 513 HG2 ARG 58 1HG ARG 58 6.231 -16.251 5.102 514 HG3 ARG 58 2HG ARG 58 4.592 -15.564 5.310 515 HD2 ARG 58 1HD ARG 58 4.810 -14.476 3.067 516 HD3 ARG 58 2HD ARG 58 6.397 -15.214 2.874 517 HE ARG 58 HE ARG 58 3.848 -16.392 2.297 518 HH11 ARG 58 1HH1 ARG 58 7.104 -17.277 3.408 519 HH12 ARG 58 2HH1 ARG 58 7.005 -18.866 2.700 520 HH21 ARG 58 1HH2 ARG 58 3.829 -18.379 1.389 521 HH22 ARG 58 2HH2 ARG 58 5.160 -19.499 1.613 522 H VAL 59 H VAL 59 5.685 -11.783 7.272 523 HA VAL 59 HA VAL 59 7.640 -10.081 6.058 524 HB VAL 59 HB VAL 59 5.518 -9.409 8.133 525 HG11 VAL 59 1HG1 VAL 59 7.157 -7.646 7.876 526 HG12 VAL 59 2HG1 VAL 59 6.955 -7.680 6.113 527 HG13 VAL 59 3HG1 VAL 59 5.609 -7.167 7.166 528 HG21 VAL 59 3HG2 VAL 59 4.145 -8.784 6.147 529 HG22 VAL 59 1HG2 VAL 59 5.382 -9.534 5.110 530 HG23 VAL 59 2HG2 VAL 59 4.468 -10.518 6.281 531 H GLY 60 H GLY 60 7.001 -11.135 9.389 532 HA2 GLY 60 1HA GLY 60 8.982 -9.383 10.537 533 HA3 GLY 60 2HA GLY 60 8.226 -10.796 11.303 534 H ASP 61 H ASP 61 8.911 -12.730 9.359 535 HA ASP 61 HA ASP 61 11.542 -13.474 10.152 536 HB2 ASP 61 1HB ASP 61 9.979 -14.331 7.673 537 HB3 ASP 61 2HB ASP 61 11.360 -15.187 8.371 538 H CYS 62 H CYS 62 10.232 -11.872 7.248 539 HA CYS 62 HA CYS 62 12.667 -11.686 5.784 540 HB2 CYS 62 1HB CYS 62 10.011 -11.019 5.386 541 HB3 CYS 62 2HB CYS 62 10.790 -9.443 5.458 542 HG CYS 62 HG CYS 62 10.676 -9.778 3.042 543 H PHE 63 H PHE 63 11.114 -9.365 8.076 544 HA PHE 63 HA PHE 63 13.062 -7.297 7.646 545 HB2 PHE 63 1HB PHE 63 11.502 -7.978 10.163 546 HB3 PHE 63 2HB PHE 63 12.456 -6.520 9.948 547 HD1 PHE 63 HD2 PHE 63 11.556 -6.108 6.913 548 HD2 PHE 63 HD1 PHE 63 9.456 -6.738 10.622 549 HE1 PHE 63 HE2 PHE 63 9.599 -4.881 6.007 550 HE2 PHE 63 HE1 PHE 63 7.504 -5.484 9.724 551 HZ PHE 63 HZ PHE 63 7.569 -4.559 7.413 552 H GLN 64 H GLN 64 12.929 -10.152 9.794 553 HA GLN 64 HA GLN 64 15.251 -9.400 11.287 554 HB2 GLN 64 1HB GLN 64 13.554 -11.099 11.995 555 HB3 GLN 64 2HB GLN 64 14.194 -12.200 10.769 556 HG2 GLN 64 1HG GLN 64 15.121 -12.728 12.971 557 HG3 GLN 64 2HG GLN 64 16.396 -12.174 11.878 558 HE21 GLN 64 2HE2 GLN 64 17.810 -10.812 12.759 559 HE22 GLN 64 1HE2 GLN 64 17.448 -9.694 14.057 560 H ASP 65 H ASP 65 14.831 -11.412 8.330 561 HA ASP 65 HA ASP 65 17.600 -12.160 8.303 562 HB2 ASP 65 1HB ASP 65 15.516 -13.129 7.052 563 HB3 ASP 65 2HB ASP 65 15.957 -11.968 5.794 564 H TYR 66 H TYR 66 15.791 -9.488 6.779 565 HA TYR 66 HA TYR 66 18.068 -8.487 5.324 566 HB2 TYR 66 1HB TYR 66 15.427 -7.917 5.323 567 HB3 TYR 66 2HB TYR 66 16.012 -6.572 6.299 568 HD1 TYR 66 HD1 TYR 66 18.284 -5.424 5.217 569 HD2 TYR 66 HD2 TYR 66 15.283 -7.602 3.026 570 HE1 TYR 66 HE1 TYR 66 18.993 -4.302 3.106 571 HE2 TYR 66 HE2 TYR 66 15.987 -6.449 0.930 572 HH TYR 66 HH TYR 66 17.469 -4.993 -0.034 573 H PHE 67 H PHE 67 16.792 -8.009 8.623 574 HA PHE 67 HA PHE 67 18.666 -5.931 9.374 575 HB2 PHE 67 1HB PHE 67 16.581 -6.456 10.591 576 HB3 PHE 67 2HB PHE 67 17.244 -8.022 11.058 577 HD1 PHE 67 HD1 PHE 67 19.089 -8.178 12.703 578 HD2 PHE 67 HD2 PHE 67 17.237 -4.423 11.710 579 HE1 PHE 67 HE1 PHE 67 20.065 -7.161 14.753 580 HE2 PHE 67 HE2 PHE 67 18.181 -3.408 13.770 581 HZ PHE 67 HZ PHE 67 19.604 -4.773 15.299 582 H ASN 68 H ASN 68 18.839 -9.513 9.345 583 HA ASN 68 HA ASN 68 21.292 -9.670 10.851 584 HB2 ASN 68 1HB ASN 68 20.191 -11.526 8.688 585 HB3 ASN 68 2HB ASN 68 21.563 -11.896 9.734 586 HD21 ASN 68 2HD2 ASN 68 19.097 -13.347 9.422 587 HD22 ASN 68 1HD2 ASN 68 18.360 -13.388 11.008 588 H THR 69 H THR 69 20.494 -9.045 7.476 589 HA THR 69 HA THR 69 23.219 -9.405 6.548 590 HB THR 69 HB THR 69 20.891 -8.068 5.091 591 HG1 THR 69 HG1 THR 69 20.298 -10.164 5.820 592 HG21 THR 69 1HG2 THR 69 22.036 -8.929 3.083 593 HG22 THR 69 2HG2 THR 69 23.332 -9.597 4.098 594 HG23 THR 69 3HG2 THR 69 23.105 -7.835 3.989 595 H PHE 70 H PHE 70 21.144 -6.517 7.166 596 HA PHE 70 HA PHE 70 23.600 -4.849 6.711 597 HB2 PHE 70 1HB PHE 70 20.722 -4.350 5.958 598 HB3 PHE 70 2HB PHE 70 21.941 -3.072 6.007 599 HD1 PHE 70 HD1 PHE 70 23.985 -3.214 4.559 600 HD2 PHE 70 HD2 PHE 70 20.617 -5.840 4.075 601 HE1 PHE 70 HE1 PHE 70 24.759 -3.767 2.258 602 HE2 PHE 70 HE2 PHE 70 21.363 -6.385 1.762 603 HZ PHE 70 HZ PHE 70 23.441 -5.347 0.847 604 H GLY 71 H GLY 71 21.763 -5.831 9.251 605 HA2 GLY 71 1HA GLY 71 21.793 -5.025 11.394 606 HA3 GLY 71 2HA GLY 71 22.866 -3.741 10.839 607 HA PRO 72 HA PRO 72 18.888 -1.888 12.452 608 HB2 PRO 72 1HB PRO 72 20.968 0.001 13.511 609 HB3 PRO 72 2HB PRO 72 19.535 -0.686 14.337 610 HG2 PRO 72 1HG PRO 72 21.942 -1.566 14.917 611 HG3 PRO 72 2HG PRO 72 20.585 -2.715 14.710 612 HD2 PRO 72 1HD PRO 72 22.771 -1.990 12.760 613 HD3 PRO 72 2HD PRO 72 22.143 -3.610 13.233 614 H GLU 73 H GLU 73 21.535 -0.785 10.494 615 HA GLU 73 HA GLU 73 20.572 1.902 10.107 616 HB2 GLU 73 1HB GLU 73 22.579 0.224 8.579 617 HB3 GLU 73 2HB GLU 73 22.295 1.955 8.319 618 HG2 GLU 73 1HG GLU 73 22.907 2.387 10.696 619 HG3 GLU 73 2HG GLU 73 23.257 0.662 10.904 620 H LYS 74 H LYS 74 20.148 -1.152 8.307 621 HA LYS 74 HA LYS 74 18.635 0.362 6.249 622 HB2 LYS 74 1HB LYS 74 20.271 -1.642 5.905 623 HB3 LYS 74 2HB LYS 74 18.855 -2.637 6.257 624 HG2 LYS 74 1HG LYS 74 18.939 -0.487 4.078 625 HG3 LYS 74 2HG LYS 74 19.340 -2.182 3.787 626 HD2 LYS 74 1HD LYS 74 17.026 -2.827 4.527 627 HD3 LYS 74 2HD LYS 74 16.629 -1.108 4.672 628 HE2 LYS 74 1HE LYS 74 17.086 -0.757 2.285 629 HE3 LYS 74 2HE LYS 74 17.549 -2.460 2.110 630 HZ1 LYS 74 3HZ LYS 74 15.245 -2.045 1.394 631 HZ2 LYS 74 1HZ LYS 74 14.834 -1.530 2.899 632 HZ3 LYS 74 2HZ LYS 74 15.280 -3.095 2.660 633 H VAL 75 H VAL 75 18.054 -2.158 8.774 634 HA VAL 75 HA VAL 75 15.147 -1.430 8.477 635 HB VAL 75 HB VAL 75 16.398 -3.982 9.629 636 HG11 VAL 75 1HG1 VAL 75 14.311 -3.421 10.790 637 HG12 VAL 75 2HG1 VAL 75 13.470 -3.227 9.232 638 HG13 VAL 75 3HG1 VAL 75 14.064 -4.826 9.738 639 HG21 VAL 75 3HG2 VAL 75 14.915 -3.507 7.016 640 HG22 VAL 75 1HG2 VAL 75 16.600 -4.038 7.224 641 HG23 VAL 75 2HG2 VAL 75 15.269 -5.110 7.696 642 HA PRO 76 HA PRO 76 16.289 0.072 12.493 643 HB2 PRO 76 1HB PRO 76 14.021 1.317 13.283 644 HB3 PRO 76 2HB PRO 76 15.032 1.967 11.965 645 HG2 PRO 76 1HG PRO 76 12.525 0.347 11.787 646 HG3 PRO 76 2HG PRO 76 12.970 1.833 10.902 647 HD2 PRO 76 1HD PRO 76 13.241 -0.702 9.858 648 HD3 PRO 76 2HD PRO 76 14.295 0.676 9.392 649 H VAL 77 H VAL 77 15.930 -0.509 14.721 650 HA VAL 77 HA VAL 77 14.691 -3.052 15.118 651 HB VAL 77 HB VAL 77 15.060 -2.636 17.545 652 HG11 VAL 77 1HG1 VAL 77 17.443 -1.870 15.793 653 HG12 VAL 77 2HG1 VAL 77 17.510 -2.556 17.432 654 HG13 VAL 77 3HG1 VAL 77 16.870 -3.528 16.092 655 HG21 VAL 77 3HG2 VAL 77 14.610 -0.193 17.597 656 HG22 VAL 77 1HG2 VAL 77 16.194 -0.578 18.289 657 HG23 VAL 77 2HG2 VAL 77 16.091 0.101 16.653 658 H THR 78 H THR 78 13.387 0.187 15.129 659 HA THR 78 HA THR 78 11.068 -0.490 16.724 660 HB THR 78 HB THR 78 11.937 1.886 16.259 661 HG1 THR 78 HG1 THR 78 10.029 1.647 17.333 662 HG21 THR 78 1HG2 THR 78 11.065 3.084 14.395 663 HG22 THR 78 2HG2 THR 78 10.163 1.665 13.836 664 HG23 THR 78 3HG2 THR 78 11.938 1.680 13.761 665 H ALA 79 H ALA 79 11.978 -1.110 13.398 666 HA ALA 79 HA ALA 79 9.311 -1.194 12.337 667 HB1 ALA 79 3HB ALA 79 11.244 -1.189 10.872 668 HB2 ALA 79 1HB ALA 79 11.815 -2.728 11.553 669 HB3 ALA 79 2HB ALA 79 10.311 -2.676 10.604 670 H PHE 80 H PHE 80 11.310 -3.530 14.137 671 HA PHE 80 HA PHE 80 9.455 -5.719 13.859 672 HB2 PHE 80 1HB PHE 80 11.509 -5.135 16.023 673 HB3 PHE 80 2HB PHE 80 10.699 -6.682 15.763 674 HD1 PHE 80 HD1 PHE 80 11.287 -8.119 13.880 675 HD2 PHE 80 HD2 PHE 80 13.264 -4.357 14.508 676 HE1 PHE 80 HE1 PHE 80 13.053 -8.785 12.285 677 HE2 PHE 80 HE2 PHE 80 15.034 -4.997 12.896 678 HZ PHE 80 HZ PHE 80 14.928 -7.228 11.775 679 H SER 81 H SER 81 9.790 -3.014 16.097 680 HA SER 81 HA SER 81 7.957 -4.037 18.087 681 HB2 SER 81 1HB SER 81 9.632 -2.235 18.531 682 HB3 SER 81 2HB SER 81 8.708 -1.147 17.477 683 HG SER 81 HG SER 81 6.901 -1.534 18.917 684 H TYR 82 H TYR 82 7.703 -1.802 15.316 685 HA TYR 82 HA TYR 82 4.894 -1.288 15.577 686 HB2 TYR 82 1HB TYR 82 7.010 -0.995 13.484 687 HB3 TYR 82 2HB TYR 82 5.337 -1.063 12.917 688 HD1 TYR 82 HD1 TYR 82 3.730 0.647 13.462 689 HD2 TYR 82 HD2 TYR 82 7.783 0.947 14.901 690 HE1 TYR 82 HE1 TYR 82 3.364 3.062 14.034 691 HE2 TYR 82 HE2 TYR 82 7.393 3.333 15.489 692 HH TYR 82 HH TYR 82 5.911 5.083 15.486 693 H TRP 83 H TRP 83 6.795 -3.708 13.755 694 HA TRP 83 HA TRP 83 4.665 -4.923 12.389 695 HB2 TRP 83 1HB TRP 83 7.048 -5.376 11.943 696 HB3 TRP 83 2HB TRP 83 7.224 -6.109 13.529 697 HD1 TRP 83 HD1 TRP 83 5.601 -6.868 10.127 698 HE1 TRP 83 HE1 TRP 83 5.117 -9.359 9.939 699 HE3 TRP 83 HE3 TRP 83 6.926 -8.194 14.882 700 HZ2 TRP 83 HZ2 TRP 83 5.253 -11.626 11.641 701 HZ3 TRP 83 HZ3 TRP 83 6.749 -10.598 15.549 702 HH2 TRP 83 HH2 TRP 83 5.907 -12.299 13.925 703 H ASN 84 H ASN 84 5.909 -5.521 15.677 704 HA ASN 84 HA ASN 84 4.359 -7.857 16.205 705 HB2 ASN 84 1HB ASN 84 5.863 -5.848 17.814 706 HB3 ASN 84 2HB ASN 84 4.628 -6.781 18.670 707 HD21 ASN 84 2HD2 ASN 84 7.774 -6.812 17.314 708 HD22 ASN 84 1HD2 ASN 84 8.148 -8.477 17.700 709 H LEU 85 H LEU 85 3.543 -4.418 16.323 710 HA LEU 85 HA LEU 85 1.194 -4.680 17.961 711 HB2 LEU 85 1HB LEU 85 2.513 -2.595 17.353 712 HB3 LEU 85 2HB LEU 85 1.750 -2.639 15.776 713 HG LEU 85 HG LEU 85 0.201 -2.348 18.356 714 HD11 LEU 85 1HD1 LEU 85 0.201 0.086 17.838 715 HD12 LEU 85 2HD1 LEU 85 1.309 -0.215 16.479 716 HD13 LEU 85 3HD1 LEU 85 1.837 -0.532 18.150 717 HD21 LEU 85 3HD2 LEU 85 -1.269 -2.980 16.544 718 HD22 LEU 85 1HD2 LEU 85 -0.520 -1.794 15.451 719 HD23 LEU 85 2HD2 LEU 85 -1.487 -1.251 16.843 720 H ILE 86 H ILE 86 1.742 -4.696 14.409 721 HA ILE 86 HA ILE 86 -1.057 -5.127 13.861 722 HB ILE 86 HB ILE 86 1.315 -5.674 12.059 723 HG12 ILE 86 1HG1 ILE 86 -0.179 -3.375 11.305 724 HG13 ILE 86 2HG1 ILE 86 0.129 -3.214 13.030 725 HG21 ILE 86 1HG2 ILE 86 -0.658 -6.821 11.227 726 HG22 ILE 86 2HG2 ILE 86 -1.689 -5.411 11.545 727 HG23 ILE 86 3HG2 ILE 86 -0.452 -5.353 10.255 728 HD11 ILE 86 3HD1 ILE 86 2.553 -3.750 12.491 729 HD12 ILE 86 1HD1 ILE 86 2.119 -3.495 10.787 730 HD13 ILE 86 2HD1 ILE 86 1.939 -2.171 11.962 731 H LYS 87 H LYS 87 1.739 -7.198 14.492 732 HA LYS 87 HA LYS 87 0.610 -9.620 13.530 733 HB2 LYS 87 1HB LYS 87 2.662 -10.282 14.089 734 HB3 LYS 87 2HB LYS 87 2.910 -8.840 15.060 735 HG2 LYS 87 1HG LYS 87 1.883 -9.966 17.011 736 HG3 LYS 87 2HG LYS 87 1.657 -11.434 16.041 737 HD2 LYS 87 1HD LYS 87 4.043 -11.678 15.790 738 HD3 LYS 87 2HD LYS 87 4.313 -10.094 16.543 739 HE2 LYS 87 1HE LYS 87 3.177 -10.969 18.620 740 HE3 LYS 87 2HE LYS 87 3.193 -12.583 17.875 741 HZ1 LYS 87 3HZ LYS 87 5.570 -10.898 18.446 742 HZ2 LYS 87 1HZ LYS 87 5.621 -12.394 17.744 743 HZ3 LYS 87 2HZ LYS 87 5.114 -12.232 19.307 744 H GLU 88 H GLU 88 0.279 -8.073 16.800 745 HA GLU 88 HA GLU 88 -1.372 -10.290 17.670 746 HB2 GLU 88 1HB GLU 88 -1.870 -8.947 19.632 747 HB3 GLU 88 2HB GLU 88 -0.138 -8.981 19.287 748 HG2 GLU 88 1HG GLU 88 -0.246 -6.752 18.343 749 HG3 GLU 88 2HG GLU 88 -1.999 -6.702 18.595 750 H LEU 89 H LEU 89 -2.031 -7.266 15.979 751 HA LEU 89 HA LEU 89 -4.854 -7.248 16.427 752 HB2 LEU 89 1HB LEU 89 -3.120 -6.146 14.231 753 HB3 LEU 89 2HB LEU 89 -4.868 -6.034 14.165 754 HG LEU 89 HG LEU 89 -3.166 -4.851 16.381 755 HD11 LEU 89 1HD1 LEU 89 -2.738 -3.753 14.225 756 HD12 LEU 89 2HD1 LEU 89 -3.668 -2.685 15.292 757 HD13 LEU 89 3HD1 LEU 89 -4.485 -3.541 13.965 758 HD21 LEU 89 3HD2 LEU 89 -5.427 -5.309 17.171 759 HD22 LEU 89 1HD2 LEU 89 -6.128 -4.556 15.720 760 HD23 LEU 89 2HD2 LEU 89 -5.249 -3.567 16.907 761 H ILE 90 H ILE 90 -2.838 -8.843 13.941 762 HA ILE 90 HA ILE 90 -5.219 -9.928 12.626 763 HB ILE 90 HB ILE 90 -2.309 -10.791 12.285 764 HG12 ILE 90 1HG1 ILE 90 -3.916 -8.896 10.521 765 HG13 ILE 90 2HG1 ILE 90 -2.797 -8.334 11.762 766 HG21 ILE 90 1HG2 ILE 90 -4.754 -11.133 10.465 767 HG22 ILE 90 2HG2 ILE 90 -3.111 -11.703 10.120 768 HG23 ILE 90 3HG2 ILE 90 -4.032 -12.426 11.446 769 HD11 ILE 90 3HD1 ILE 90 -1.630 -8.298 9.662 770 HD12 ILE 90 1HD1 ILE 90 -0.963 -9.628 10.634 771 HD13 ILE 90 2HD1 ILE 90 -2.093 -9.975 9.306 772 H ASP 91 H ASP 91 -2.739 -11.076 14.921 773 HA ASP 91 HA ASP 91 -3.354 -13.842 14.915 774 HB2 ASP 91 1HB ASP 91 -1.399 -12.742 16.035 775 HB3 ASP 91 2HB ASP 91 -2.499 -12.100 17.262 776 H LYS 92 H LYS 92 -4.924 -11.118 16.547 777 HA LYS 92 HA LYS 92 -6.981 -13.048 17.557 778 HB2 LYS 92 1HB LYS 92 -6.034 -10.472 18.811 779 HB3 LYS 92 2HB LYS 92 -7.355 -11.509 19.397 780 HG2 LYS 92 1HG LYS 92 -5.618 -13.415 19.275 781 HG3 LYS 92 2HG LYS 92 -4.410 -12.115 19.238 782 HD2 LYS 92 1HD LYS 92 -5.176 -11.294 21.351 783 HD3 LYS 92 2HD LYS 92 -6.565 -12.409 21.315 784 HE2 LYS 92 1HE LYS 92 -4.695 -13.229 22.774 785 HE3 LYS 92 2HE LYS 92 -5.127 -14.341 21.461 786 HZ1 LYS 92 3HZ LYS 92 -2.848 -12.455 21.328 787 HZ2 LYS 92 1HZ LYS 92 -3.230 -13.609 20.208 788 HZ3 LYS 92 2HZ LYS 92 -2.717 -14.055 21.709 789 H LYS 93 H LYS 93 -6.933 -11.798 14.924 790 HA LYS 93 HA LYS 93 -8.792 -9.600 14.895 791 HB2 LYS 93 1HB LYS 93 -8.993 -9.958 12.554 792 HB3 LYS 93 2HB LYS 93 -7.313 -10.221 12.998 793 HG2 LYS 93 1HG LYS 93 -7.738 -12.701 12.944 794 HG3 LYS 93 2HG LYS 93 -9.377 -12.362 12.361 795 HD2 LYS 93 1HD LYS 93 -8.429 -11.157 10.414 796 HD3 LYS 93 2HD LYS 93 -6.799 -11.494 11.012 797 HE2 LYS 93 1HE LYS 93 -7.257 -13.094 9.295 798 HE3 LYS 93 2HE LYS 93 -7.312 -13.957 10.847 799 HZ1 LYS 93 3HZ LYS 93 -9.687 -12.964 9.363 800 HZ2 LYS 93 1HZ LYS 93 -9.722 -13.821 10.773 801 HZ3 LYS 93 2HZ LYS 93 -9.173 -14.532 9.388 802 H GLU 94 H GLU 94 -9.139 -12.954 15.469 803 HA GLU 94 HA GLU 94 -11.819 -13.392 14.615 804 HB2 GLU 94 1HB GLU 94 -11.688 -15.239 16.382 805 HB3 GLU 94 2HB GLU 94 -10.506 -15.279 15.069 806 HG2 GLU 94 1HG GLU 94 -8.778 -14.326 16.537 807 HG3 GLU 94 2HG GLU 94 -9.949 -14.189 17.855 808 H VAL 95 H VAL 95 -10.522 -11.902 17.572 809 HA VAL 95 HA VAL 95 -13.331 -11.654 18.580 810 HB VAL 95 HB VAL 95 -12.298 -11.161 20.798 811 HG11 VAL 95 1HG1 VAL 95 -13.003 -13.469 20.181 812 HG12 VAL 95 2HG1 VAL 95 -11.357 -13.809 19.605 813 HG13 VAL 95 3HG1 VAL 95 -11.644 -13.457 21.323 814 HG21 VAL 95 3HG2 VAL 95 -9.658 -11.993 19.504 815 HG22 VAL 95 1HG2 VAL 95 -10.087 -10.320 19.938 816 HG23 VAL 95 2HG2 VAL 95 -9.926 -11.553 21.203 817 H ASN 96 H ASN 96 -11.359 -10.069 16.650 818 HA ASN 96 HA ASN 96 -12.209 -7.399 17.694 819 HB2 ASN 96 1HB ASN 96 -9.743 -7.817 17.965 820 HB3 ASN 96 2HB ASN 96 -9.621 -7.982 16.213 821 HD21 ASN 96 2HD2 ASN 96 -8.427 -6.030 18.076 822 HD22 ASN 96 1HD2 ASN 96 -8.925 -4.460 17.495 823 HA PRO 97 HA PRO 97 -13.804 -8.408 13.505 824 HB2 PRO 97 1HB PRO 97 -16.264 -7.224 13.697 825 HB3 PRO 97 2HB PRO 97 -15.918 -8.863 14.338 826 HG2 PRO 97 1HG PRO 97 -15.912 -6.233 15.809 827 HG3 PRO 97 2HG PRO 97 -16.766 -7.756 16.226 828 HD2 PRO 97 1HD PRO 97 -14.408 -7.148 17.361 829 HD3 PRO 97 2HD PRO 97 -14.769 -8.836 16.854 830 H GLN 98 H GLN 98 -13.435 -5.393 15.242 831 HA GLN 98 HA GLN 98 -14.084 -3.595 13.113 832 HB2 GLN 98 1HB GLN 98 -13.771 -3.013 15.569 833 HB3 GLN 98 2HB GLN 98 -12.036 -3.225 15.333 834 HG2 GLN 98 1HG GLN 98 -12.222 -0.958 15.102 835 HG3 GLN 98 2HG GLN 98 -12.353 -1.458 13.413 836 HE21 GLN 98 2HE2 GLN 98 -14.046 -0.685 12.291 837 HE22 GLN 98 1HE2 GLN 98 -15.485 0.005 13.002 838 H VAL 99 H VAL 99 -11.041 -5.173 14.215 839 HA VAL 99 HA VAL 99 -9.634 -3.973 11.965 840 HB VAL 99 HB VAL 99 -8.618 -4.533 14.294 841 HG11 VAL 99 1HG1 VAL 99 -7.575 -6.692 14.550 842 HG12 VAL 99 2HG1 VAL 99 -9.290 -6.972 14.201 843 HG13 VAL 99 3HG1 VAL 99 -8.084 -7.206 12.926 844 HG21 VAL 99 3HG2 VAL 99 -7.110 -5.260 11.750 845 HG22 VAL 99 1HG2 VAL 99 -7.381 -3.609 12.362 846 HG23 VAL 99 2HG2 VAL 99 -6.397 -4.750 13.296 847 H MET 100 H MET 100 -11.230 -7.053 12.658 848 HA MET 100 HA MET 100 -10.050 -8.611 10.608 849 HB2 MET 100 1HB MET 100 -11.953 -8.987 12.492 850 HB3 MET 100 2HB MET 100 -12.972 -8.870 11.079 851 HG2 MET 100 1HG MET 100 -10.832 -10.886 11.715 852 HG3 MET 100 2HG MET 100 -12.544 -11.180 11.465 853 HE1 MET 100 3HE MET 100 -13.296 -9.780 8.709 854 HE2 MET 100 1HE MET 100 -12.908 -11.087 7.569 855 HE3 MET 100 2HE MET 100 -13.699 -11.465 9.119 856 H ALA 101 H ALA 101 -12.815 -6.315 10.508 857 HA ALA 101 HA ALA 101 -13.427 -6.769 7.744 858 HB1 ALA 101 3HB ALA 101 -13.819 -4.329 9.510 859 HB2 ALA 101 1HB ALA 101 -14.555 -4.552 7.906 860 HB3 ALA 101 2HB ALA 101 -14.982 -5.644 9.244 861 H ALA 102 H ALA 102 -10.915 -4.870 9.350 862 HA ALA 102 HA ALA 102 -10.237 -3.331 6.976 863 HB1 ALA 102 3HB ALA 102 -9.795 -2.664 9.438 864 HB2 ALA 102 1HB ALA 102 -8.457 -3.832 9.400 865 HB3 ALA 102 2HB ALA 102 -8.455 -2.439 8.299 866 H VAL 103 H VAL 103 -9.249 -6.389 8.531 867 HA VAL 103 HA VAL 103 -6.934 -6.884 6.900 868 HB VAL 103 HB VAL 103 -8.888 -8.863 8.203 869 HG11 VAL 103 1HG1 VAL 103 -6.993 -10.501 8.001 870 HG12 VAL 103 2HG1 VAL 103 -7.721 -10.040 6.453 871 HG13 VAL 103 3HG1 VAL 103 -6.171 -9.332 6.949 872 HG21 VAL 103 3HG2 VAL 103 -6.160 -7.877 9.135 873 HG22 VAL 103 1HG2 VAL 103 -7.722 -7.397 9.820 874 HG23 VAL 103 2HG2 VAL 103 -7.183 -9.070 9.965 875 H ALA 104 H ALA 104 -10.376 -7.840 6.587 876 HA ALA 104 HA ALA 104 -10.083 -9.181 4.100 877 HB1 ALA 104 3HB ALA 104 -12.501 -7.689 5.224 878 HB2 ALA 104 1HB ALA 104 -12.531 -8.901 3.921 879 HB3 ALA 104 2HB ALA 104 -12.065 -9.381 5.571 880 H GLN 105 H GLN 105 -10.838 -5.746 4.847 881 HA GLN 105 HA GLN 105 -11.170 -4.957 2.128 882 HB2 GLN 105 1HB GLN 105 -10.501 -3.523 4.692 883 HB3 GLN 105 2HB GLN 105 -10.365 -2.681 3.132 884 HG2 GLN 105 1HG GLN 105 -12.722 -3.529 2.657 885 HG3 GLN 105 2HG GLN 105 -12.824 -3.881 4.384 886 HE21 GLN 105 2HE2 GLN 105 -13.251 -2.231 5.763 887 HE22 GLN 105 1HE2 GLN 105 -13.377 -0.552 5.275 888 H THR 106 H THR 106 -8.212 -5.278 4.132 889 HA THR 106 HA THR 106 -6.548 -3.951 2.186 890 HB THR 106 HB THR 106 -5.669 -6.124 4.132 891 HG1 THR 106 HG1 THR 106 -6.838 -4.441 5.196 892 HG21 THR 106 1HG2 THR 106 -3.986 -5.385 2.467 893 HG22 THR 106 2HG2 THR 106 -3.571 -4.857 4.111 894 HG23 THR 106 3HG2 THR 106 -4.262 -3.699 2.958 895 H GLU 107 H GLU 107 -7.627 -7.336 2.707 896 HA GLU 107 HA GLU 107 -6.032 -8.456 0.609 897 HB2 GLU 107 1HB GLU 107 -8.673 -9.337 1.805 898 HB3 GLU 107 2HB GLU 107 -7.799 -10.260 0.582 899 HG2 GLU 107 1HG GLU 107 -5.840 -10.374 2.092 900 HG3 GLU 107 2HG GLU 107 -6.775 -9.539 3.339 901 H GLU 108 H GLU 108 -9.232 -6.819 0.537 902 HA GLU 108 HA GLU 108 -9.855 -7.461 -2.201 903 HB2 GLU 108 1HB GLU 108 -10.494 -4.983 -0.553 904 HB3 GLU 108 2HB GLU 108 -11.144 -5.289 -2.154 905 HG2 GLU 108 1HG GLU 108 -12.368 -7.214 -1.349 906 HG3 GLU 108 2HG GLU 108 -11.626 -7.052 0.251 907 H ILE 109 H ILE 109 -8.145 -4.718 -0.700 908 HA ILE 109 HA ILE 109 -7.703 -3.261 -3.121 909 HB ILE 109 HB ILE 109 -6.302 -3.217 -0.408 910 HG12 ILE 109 1HG1 ILE 109 -8.183 -1.127 -1.543 911 HG13 ILE 109 2HG1 ILE 109 -8.837 -2.592 -0.822 912 HG21 ILE 109 1HG2 ILE 109 -5.415 -0.967 -1.068 913 HG22 ILE 109 2HG2 ILE 109 -4.754 -2.252 -2.087 914 HG23 ILE 109 3HG2 ILE 109 -6.047 -1.209 -2.715 915 HD11 ILE 109 3HD1 ILE 109 -8.881 -0.959 0.885 916 HD12 ILE 109 1HD1 ILE 109 -7.534 -2.047 1.282 917 HD13 ILE 109 2HD1 ILE 109 -7.206 -0.455 0.556 918 H LEU 110 H LEU 110 -5.883 -5.851 -1.522 919 HA LEU 110 HA LEU 110 -3.540 -5.650 -3.159 920 HB2 LEU 110 1HB LEU 110 -4.761 -7.620 -1.327 921 HB3 LEU 110 2HB LEU 110 -3.747 -8.322 -2.581 922 HG LEU 110 HG LEU 110 -1.828 -7.127 -1.854 923 HD11 LEU 110 1HD1 LEU 110 -1.776 -5.605 0.073 924 HD12 LEU 110 2HD1 LEU 110 -3.544 -5.655 0.165 925 HD13 LEU 110 3HD1 LEU 110 -2.742 -4.940 -1.248 926 HD21 LEU 110 3HD2 LEU 110 -3.397 -8.269 0.487 927 HD22 LEU 110 1HD2 LEU 110 -1.651 -7.929 0.526 928 HD23 LEU 110 2HD2 LEU 110 -2.287 -9.134 -0.600 929 H LYS 111 H LYS 111 -6.729 -7.053 -3.860 930 HA LYS 111 HA LYS 111 -5.728 -8.418 -6.262 931 HB2 LYS 111 1HB LYS 111 -8.609 -7.748 -5.586 932 HB3 LYS 111 2HB LYS 111 -8.023 -9.011 -6.671 933 HG2 LYS 111 1HG LYS 111 -7.678 -8.937 -3.672 934 HG3 LYS 111 2HG LYS 111 -8.858 -9.913 -4.527 935 HD2 LYS 111 1HD LYS 111 -7.324 -11.474 -5.107 936 HD3 LYS 111 2HD LYS 111 -6.037 -10.278 -5.354 937 HE2 LYS 111 1HE LYS 111 -5.624 -11.800 -3.424 938 HE3 LYS 111 2HE LYS 111 -5.616 -10.078 -3.023 939 HZ1 LYS 111 3HZ LYS 111 -6.818 -11.527 -1.431 940 HZ2 LYS 111 1HZ LYS 111 -7.975 -11.799 -2.581 941 HZ3 LYS 111 2HZ LYS 111 -7.718 -10.265 -2.014 942 H SER 112 H SER 112 -6.794 -5.246 -5.415 943 HA SER 112 HA SER 112 -7.541 -4.482 -8.150 944 HB2 SER 112 1HB SER 112 -8.471 -3.425 -6.046 945 HB3 SER 112 2HB SER 112 -6.876 -2.707 -5.770 946 HG SER 112 HG SER 112 -7.157 -1.883 -8.025 947 H ASN 113 H ASN 113 -4.717 -4.933 -6.321 948 HA ASN 113 HA ASN 113 -3.020 -3.043 -7.799 949 HB2 ASN 113 1HB ASN 113 -2.803 -4.815 -5.477 950 HB3 ASN 113 2HB ASN 113 -1.416 -4.996 -6.555 951 HD21 ASN 113 2HD2 ASN 113 -3.333 -2.642 -4.727 952 HD22 ASN 113 1HD2 ASN 113 -2.034 -1.481 -4.512 953 H SER 114 H SER 114 -1.121 -3.943 -9.049 954 HA SER 114 HA SER 114 -2.091 -5.701 -11.101 955 HB2 SER 114 1HB SER 114 0.745 -4.745 -10.566 956 HB3 SER 114 2HB SER 114 0.110 -5.380 -12.101 957 HG SER 114 HG SER 114 0.099 -3.105 -12.088 958 H GLN 115 H GLN 115 -2.610 -7.660 -9.880 959 HA GLN 115 HA GLN 115 -0.526 -9.149 -8.565 960 HB2 GLN 115 1HB GLN 115 -2.979 -9.304 -8.106 961 HB3 GLN 115 2HB GLN 115 -3.180 -10.169 -9.638 962 HG2 GLN 115 1HG GLN 115 -1.837 -12.013 -8.854 963 HG3 GLN 115 2HG GLN 115 -1.320 -11.104 -7.427 964 HE21 GLN 115 2HE2 GLN 115 -2.089 -12.248 -5.769 965 HE22 GLN 115 1HE2 GLN 115 -3.771 -12.682 -5.566 966 H THR 116 H THR 116 -1.718 -9.217 -11.921 967 HA THR 116 HA THR 116 -1.232 -10.359 -13.713 968 HB THR 116 HB THR 116 0.884 -10.341 -14.326 969 HG1 THR 116 HG1 THR 116 1.548 -11.001 -11.657 970 HG21 THR 116 1HG2 THR 116 0.231 -8.113 -13.361 971 HG22 THR 116 2HG2 THR 116 1.977 -8.400 -13.503 972 HG23 THR 116 3HG2 THR 116 1.192 -8.558 -11.924 973 H ASP 117 H ASP 117 0.237 -12.382 -14.633 974 HA ASP 117 HA ASP 117 -1.215 -14.632 -13.511 975 HB2 ASP 117 1HB ASP 117 -0.486 -15.839 -15.484 976 HB3 ASP 117 2HB ASP 117 -1.070 -14.238 -15.969 977 H LEU 118 H LEU 118 1.781 -13.359 -13.404 978 HA LEU 118 HA LEU 118 3.723 -13.731 -12.427 979 HB2 LEU 118 1HB LEU 118 2.085 -15.608 -10.759 980 HB3 LEU 118 2HB LEU 118 3.665 -14.971 -10.374 981 HG LEU 118 HG LEU 118 1.416 -13.080 -10.911 982 HD11 LEU 118 1HD1 LEU 118 0.554 -14.659 -9.267 983 HD12 LEU 118 2HD1 LEU 118 0.847 -13.062 -8.555 984 HD13 LEU 118 3HD1 LEU 118 1.992 -14.390 -8.251 985 HD21 LEU 118 3HD2 LEU 118 2.718 -11.653 -9.366 986 HD22 LEU 118 1HD2 LEU 118 3.685 -12.166 -10.757 987 HD23 LEU 118 2HD2 LEU 118 3.918 -12.955 -9.179 988 H GLU 119 H GLU 119 5.577 -14.776 -12.336 989 HA GLU 119 HA GLU 119 6.099 -16.641 -14.343 990 HB2 GLU 119 1HB GLU 119 7.577 -14.966 -12.987 991 HB3 GLU 119 2HB GLU 119 7.871 -16.324 -11.909 992 HG2 GLU 119 1HG GLU 119 8.399 -16.380 -14.904 993 HG3 GLU 119 2HG GLU 119 9.609 -15.893 -13.709 994 H HIS 120 H HIS 120 5.800 -18.713 -14.549 995 HA HIS 120 HA HIS 120 4.955 -20.812 -14.050 996 HB2 HIS 120 1HB HIS 120 7.575 -20.539 -12.589 997 HB3 HIS 120 2HB HIS 120 6.670 -22.041 -12.468 998 HD1 HIS 120 HD1 HIS 120 8.953 -20.189 -14.736 999 HD2 HIS 120 HD2 HIS 120 6.279 -23.431 -14.977 1000 HE1 HIS 120 HE1 HIS 120 9.495 -21.461 -16.879 1001 H HIS 121 H HIS 121 3.379 -19.070 -12.525 1002 HA HIS 121 HA HIS 121 3.441 -19.832 -9.752 1003 HB2 HIS 121 1HB HIS 121 2.406 -17.796 -11.213 1004 HB3 HIS 121 2HB HIS 121 0.933 -18.657 -10.813 1005 HD1 HIS 121 HD1 HIS 121 -0.040 -18.090 -8.533 1006 HD2 HIS 121 HD2 HIS 121 4.042 -17.181 -8.812 1007 HE1 HIS 121 HE1 HIS 121 0.605 -16.879 -6.375 1008 H HIS 122 H HIS 122 3.417 -22.274 -10.655 1009 HA HIS 122 HA HIS 122 0.749 -23.376 -11.035 1010 HB2 HIS 122 1HB HIS 122 1.910 -25.573 -10.993 1011 HB3 HIS 122 2HB HIS 122 2.591 -24.424 -12.146 1012 HD1 HIS 122 HD1 HIS 122 3.398 -26.228 -8.912 1013 HD2 HIS 122 HD2 HIS 122 5.254 -23.641 -11.636 1014 HE1 HIS 122 HE1 HIS 122 5.896 -26.215 -8.352 1015 H HIS 123 H HIS 123 0.358 -22.021 -8.799 1016 HA HIS 123 HA HIS 123 -0.324 -24.164 -6.883 1017 HB2 HIS 123 1HB HIS 123 1.945 -22.454 -6.431 1018 HB3 HIS 123 2HB HIS 123 0.657 -21.932 -5.340 1019 HD1 HIS 123 HD1 HIS 123 0.689 -23.095 -3.110 1020 HD2 HIS 123 HD2 HIS 123 2.221 -25.506 -6.207 1021 HE1 HIS 123 HE1 HIS 123 1.478 -25.284 -2.050 1022 H HIS 124 H HIS 124 -2.193 -23.537 -5.682 1023 HA HIS 124 HA HIS 124 -3.360 -20.905 -6.530 1024 HB2 HIS 124 1HB HIS 124 -4.785 -23.534 -5.974 1025 HB3 HIS 124 2HB HIS 124 -5.582 -21.990 -6.299 1026 HD1 HIS 124 HD1 HIS 124 -4.617 -20.835 -8.753 1027 HD2 HIS 124 HD2 HIS 124 -4.642 -25.005 -8.281 1028 HE1 HIS 124 HE1 HIS 124 -4.567 -21.848 -11.092 1029 H HIS 125 H HIS 125 -1.925 -22.199 -3.925 1030 HA HIS 125 HA HIS 125 -3.226 -20.374 -2.086 1031 HB2 HIS 125 1HB HIS 125 -3.991 -23.205 -2.074 1032 HB3 HIS 125 2HB HIS 125 -3.110 -22.790 -0.598 1033 HD1 HIS 125 HD1 HIS 125 -5.693 -20.692 -2.553 1034 HD2 HIS 125 HD2 HIS 125 -5.104 -22.394 1.241 1035 HE1 HIS 125 HE1 HIS 125 -7.636 -19.923 -1.072 Start of MODEL 36 1 H21 MYR 1 1H2 MYR 1 0.990 -0.137 -1.068 2 H22 MYR 1 2H2 MYR 1 2.265 -0.447 0.088 3 H31 MYR 1 1H3 MYR 1 -0.300 -2.113 -0.060 4 H32 MYR 1 2H3 MYR 1 1.159 -2.533 -0.953 5 H41 MYR 1 1H4 MYR 1 2.443 -2.907 1.074 6 H42 MYR 1 2H4 MYR 1 1.238 -2.102 2.072 7 H51 MYR 1 1H5 MYR 1 -0.405 -3.981 1.414 8 H52 MYR 1 2H5 MYR 1 0.956 -4.820 0.676 9 H61 MYR 1 1H6 MYR 1 0.766 -5.763 2.856 10 H62 MYR 1 2H6 MYR 1 2.127 -4.677 2.973 11 H71 MYR 1 1H7 MYR 1 1.108 -3.678 4.779 12 H72 MYR 1 2H7 MYR 1 -0.097 -3.029 3.693 13 H81 MYR 1 1H8 MYR 1 -1.469 -4.119 5.212 14 H82 MYR 1 2H8 MYR 1 -1.325 -5.366 3.982 15 H91 MYR 1 1H9 MYR 1 0.397 -5.198 6.538 16 H92 MYR 1 2H9 MYR 1 0.511 -6.454 5.315 17 H101 MYR 1 1H10 MYR 1 -0.803 -7.502 6.918 18 H102 MYR 1 2H10 MYR 1 -2.019 -6.935 5.802 19 H111 MYR 1 1H11 MYR 1 -1.870 -6.492 8.594 20 H112 MYR 1 2H11 MYR 1 -1.409 -4.932 7.950 21 H121 MYR 1 1H12 MYR 1 -3.551 -4.778 6.698 22 H122 MYR 1 2H12 MYR 1 -3.985 -6.423 7.161 23 H131 MYR 1 1H13 MYR 1 -3.985 -5.745 9.590 24 H132 MYR 1 2H13 MYR 1 -3.585 -4.092 9.124 25 H141 MYR 1 1H14 MYR 1 -5.988 -4.192 9.517 26 H142 MYR 1 2H14 MYR 1 -5.770 -4.039 7.768 27 H143 MYR 1 3H14 MYR 1 -6.160 -5.610 8.478 28 H GLY 2 H GLY 2 2.245 1.043 1.565 29 HA2 GLY 2 1HA GLY 2 -0.046 1.214 3.381 30 HA3 GLY 2 2HA GLY 2 1.558 1.913 3.618 31 H GLN 3 H GLN 3 1.509 3.342 1.000 32 HA GLN 3 HA GLN 3 0.401 5.756 2.127 33 HB2 GLN 3 1HB GLN 3 1.222 5.247 -0.758 34 HB3 GLN 3 2HB GLN 3 1.028 6.818 0.024 35 HG2 GLN 3 1HG GLN 3 3.145 4.727 0.597 36 HG3 GLN 3 2HG GLN 3 3.380 6.295 -0.173 37 HE21 GLN 3 2HE2 GLN 3 4.513 5.010 2.276 38 HE22 GLN 3 1HE2 GLN 3 4.226 6.180 3.560 39 H GLU 4 H GLU 4 -0.607 3.534 -0.463 40 HA GLU 4 HA GLU 4 -2.914 5.112 -1.184 41 HB2 GLU 4 1HB GLU 4 -3.566 3.072 -2.450 42 HB3 GLU 4 2HB GLU 4 -1.957 3.689 -2.803 43 HG2 GLU 4 1HG GLU 4 -2.102 1.501 -0.788 44 HG3 GLU 4 2HG GLU 4 -2.463 1.083 -2.465 45 H LEU 5 H LEU 5 -2.358 2.546 1.185 46 HA LEU 5 HA LEU 5 -5.145 2.069 1.736 47 HB2 LEU 5 1HB LEU 5 -2.602 1.686 3.316 48 HB3 LEU 5 2HB LEU 5 -4.174 1.386 4.040 49 HG LEU 5 HG LEU 5 -3.168 -0.020 1.553 50 HD11 LEU 5 1HD1 LEU 5 -2.725 -1.932 3.017 51 HD12 LEU 5 2HD1 LEU 5 -3.240 -0.991 4.439 52 HD13 LEU 5 3HD1 LEU 5 -1.777 -0.527 3.533 53 HD21 LEU 5 3HD2 LEU 5 -4.966 -1.604 1.936 54 HD22 LEU 5 1HD2 LEU 5 -5.639 0.024 1.782 55 HD23 LEU 5 2HD2 LEU 5 -5.487 -0.721 3.387 56 H SER 6 H SER 6 -2.771 4.415 3.049 57 HA SER 6 HA SER 6 -4.570 5.564 4.978 58 HB2 SER 6 1HB SER 6 -2.036 5.852 4.842 59 HB3 SER 6 2HB SER 6 -2.318 6.997 3.522 60 HG SER 6 HG SER 6 -3.764 8.092 5.056 61 H GLN 7 H GLN 7 -4.765 5.658 1.580 62 HA GLN 7 HA GLN 7 -6.207 8.284 1.644 63 HB2 GLN 7 1HB GLN 7 -5.020 6.689 -0.650 64 HB3 GLN 7 2HB GLN 7 -5.960 8.172 -0.844 65 HG2 GLN 7 1HG GLN 7 -4.286 9.464 0.334 66 HG3 GLN 7 2HG GLN 7 -3.388 8.001 0.750 67 HE21 GLN 7 2HE2 GLN 7 -1.986 7.118 -0.662 68 HE22 GLN 7 1HE2 GLN 7 -1.655 7.793 -2.247 69 H HIS 8 H HIS 8 -6.676 4.880 1.537 70 HA HIS 8 HA HIS 8 -9.090 4.982 -0.109 71 HB2 HIS 8 1HB HIS 8 -7.495 3.007 0.124 72 HB3 HIS 8 2HB HIS 8 -8.179 2.733 1.715 73 HD1 HIS 8 HD1 HIS 8 -8.952 2.397 -1.953 74 HD2 HIS 8 HD2 HIS 8 -10.828 1.772 1.711 75 HE1 HIS 8 HE1 HIS 8 -11.053 1.069 -2.420 76 H GLU 9 H GLU 9 -10.558 6.370 0.872 77 HA GLU 9 HA GLU 9 -11.007 6.888 3.488 78 HB2 GLU 9 1HB GLU 9 -13.157 6.548 1.383 79 HB3 GLU 9 2HB GLU 9 -13.332 7.457 2.890 80 HG2 GLU 9 1HG GLU 9 -11.532 8.992 2.167 81 HG3 GLU 9 2HG GLU 9 -11.389 8.092 0.644 82 H ARG 10 H ARG 10 -12.597 4.095 1.867 83 HA ARG 10 HA ARG 10 -14.304 3.416 4.044 84 HB2 ARG 10 1HB ARG 10 -12.997 1.534 2.048 85 HB3 ARG 10 2HB ARG 10 -14.448 1.202 2.994 86 HG2 ARG 10 1HG ARG 10 -15.672 2.939 1.774 87 HG3 ARG 10 2HG ARG 10 -14.197 3.376 0.881 88 HD2 ARG 10 1HD ARG 10 -14.081 1.036 0.018 89 HD3 ARG 10 2HD ARG 10 -15.651 0.716 0.782 90 HE ARG 10 HE ARG 10 -15.953 3.017 -0.817 91 HH11 ARG 10 1HH1 ARG 10 -15.230 -0.399 -1.344 92 HH12 ARG 10 2HH1 ARG 10 -15.940 -0.402 -2.935 93 HH21 ARG 10 1HH2 ARG 10 -16.834 2.943 -2.858 94 HH22 ARG 10 2HH2 ARG 10 -16.831 1.462 -3.774 95 H TYR 11 H TYR 11 -10.939 2.645 3.413 96 HA TYR 11 HA TYR 11 -10.750 0.698 5.597 97 HB2 TYR 11 1HB TYR 11 -9.486 0.483 3.478 98 HB3 TYR 11 2HB TYR 11 -8.671 2.012 3.806 99 HD1 TYR 11 HD2 TYR 11 -9.201 -1.393 5.306 100 HD2 TYR 11 HD1 TYR 11 -6.610 2.014 4.911 101 HE1 TYR 11 HE2 TYR 11 -7.402 -2.602 6.520 102 HE2 TYR 11 HE1 TYR 11 -4.813 0.770 6.109 103 HH TYR 11 HH TYR 11 -5.228 -2.596 7.164 104 H VAL 12 H VAL 12 -9.782 4.034 4.817 105 HA VAL 12 HA VAL 12 -8.332 4.602 7.184 106 HB VAL 12 HB VAL 12 -10.016 6.442 5.420 107 HG11 VAL 12 1HG1 VAL 12 -8.734 8.311 6.361 108 HG12 VAL 12 2HG1 VAL 12 -9.640 7.486 7.643 109 HG13 VAL 12 3HG1 VAL 12 -7.890 7.205 7.464 110 HG21 VAL 12 3HG2 VAL 12 -8.044 5.254 4.350 111 HG22 VAL 12 1HG2 VAL 12 -7.914 7.019 4.357 112 HG23 VAL 12 2HG2 VAL 12 -6.995 6.049 5.529 113 H GLU 13 H GLU 13 -11.910 4.807 6.582 114 HA GLU 13 HA GLU 13 -12.529 5.982 9.103 115 HB2 GLU 13 1HB GLU 13 -14.135 4.020 7.427 116 HB3 GLU 13 2HB GLU 13 -14.751 4.820 8.873 117 HG2 GLU 13 1HG GLU 13 -13.959 6.131 6.266 118 HG3 GLU 13 2HG GLU 13 -15.574 5.994 6.955 119 H GLN 14 H GLN 14 -12.159 2.515 8.232 120 HA GLN 14 HA GLN 14 -12.853 1.553 10.854 121 HB2 GLN 14 1HB GLN 14 -11.097 0.365 8.672 122 HB3 GLN 14 2HB GLN 14 -11.553 -0.492 10.147 123 HG2 GLN 14 1HG GLN 14 -13.521 0.571 8.095 124 HG3 GLN 14 2HG GLN 14 -12.937 -1.097 8.185 125 HE21 GLN 14 2HE2 GLN 14 -13.689 -2.466 9.763 126 HE22 GLN 14 1HE2 GLN 14 -15.037 -2.058 10.791 127 H LEU 15 H LEU 15 -9.765 2.512 9.317 128 HA LEU 15 HA LEU 15 -8.199 1.789 11.605 129 HB2 LEU 15 1HB LEU 15 -7.755 3.573 9.236 130 HB3 LEU 15 2HB LEU 15 -6.600 3.528 10.549 131 HG LEU 15 HG LEU 15 -7.319 1.258 8.689 132 HD11 LEU 15 1HD1 LEU 15 -5.830 2.925 7.773 133 HD12 LEU 15 2HD1 LEU 15 -4.865 1.498 8.196 134 HD13 LEU 15 3HD1 LEU 15 -4.836 2.923 9.252 135 HD21 LEU 15 3HD2 LEU 15 -6.967 0.214 10.863 136 HD22 LEU 15 1HD2 LEU 15 -5.521 1.214 11.157 137 HD23 LEU 15 2HD2 LEU 15 -5.514 -0.026 9.879 138 H LYS 16 H LYS 16 -10.171 4.648 10.984 139 HA LYS 16 HA LYS 16 -8.853 6.376 12.895 140 HB2 LYS 16 1HB LYS 16 -11.765 6.186 12.041 141 HB3 LYS 16 2HB LYS 16 -11.169 7.398 13.167 142 HG2 LYS 16 1HG LYS 16 -9.735 8.364 11.453 143 HG3 LYS 16 2HG LYS 16 -10.225 7.106 10.309 144 HD2 LYS 16 1HD LYS 16 -12.589 7.823 10.569 145 HD3 LYS 16 2HD LYS 16 -12.045 9.159 11.597 146 HE2 LYS 16 1HE LYS 16 -10.730 10.077 9.727 147 HE3 LYS 16 2HE LYS 16 -11.209 8.699 8.707 148 HZ1 LYS 16 3HZ LYS 16 -12.594 10.669 8.332 149 HZ2 LYS 16 1HZ LYS 16 -13.137 10.610 9.892 150 HZ3 LYS 16 2HZ LYS 16 -13.478 9.377 8.841 151 H GLN 17 H GLN 17 -11.154 3.704 13.138 152 HA GLN 17 HA GLN 17 -11.455 4.124 16.035 153 HB2 GLN 17 1HB GLN 17 -12.377 1.890 14.196 154 HB3 GLN 17 2HB GLN 17 -12.757 1.997 15.917 155 HG2 GLN 17 1HG GLN 17 -13.541 4.138 13.901 156 HG3 GLN 17 2HG GLN 17 -14.574 2.771 14.330 157 HE21 GLN 17 2HE2 GLN 17 -15.982 3.073 15.911 158 HE22 GLN 17 1HE2 GLN 17 -15.875 4.302 17.147 159 H ALA 18 H ALA 18 -9.838 1.768 13.828 160 HA ALA 18 HA ALA 18 -8.923 0.122 15.943 161 HB1 ALA 18 3HB ALA 18 -9.079 -0.543 13.573 162 HB2 ALA 18 1HB ALA 18 -7.674 0.494 13.203 163 HB3 ALA 18 2HB ALA 18 -7.484 -0.906 14.283 164 H LEU 19 H LEU 19 -7.179 2.905 14.387 165 HA LEU 19 HA LEU 19 -4.750 2.480 15.913 166 HB2 LEU 19 1HB LEU 19 -5.943 4.798 14.401 167 HB3 LEU 19 2HB LEU 19 -4.678 5.133 15.568 168 HG LEU 19 HG LEU 19 -3.685 3.011 13.979 169 HD11 LEU 19 1HD1 LEU 19 -3.660 4.117 11.711 170 HD12 LEU 19 2HD1 LEU 19 -4.935 5.213 12.299 171 HD13 LEU 19 3HD1 LEU 19 -5.242 3.468 12.206 172 HD21 LEU 19 3HD2 LEU 19 -2.309 4.752 15.007 173 HD22 LEU 19 1HD2 LEU 19 -3.049 5.991 13.969 174 HD23 LEU 19 2HD2 LEU 19 -2.023 4.727 13.249 175 H LYS 20 H LYS 20 -7.806 4.192 16.498 176 HA LYS 20 HA LYS 20 -7.004 5.492 18.927 177 HB2 LYS 20 1HB LYS 20 -8.976 6.104 17.522 178 HB3 LYS 20 2HB LYS 20 -9.780 4.626 18.049 179 HG2 LYS 20 1HG LYS 20 -9.540 5.489 20.433 180 HG3 LYS 20 2HG LYS 20 -9.064 7.040 19.728 181 HD2 LYS 20 1HD LYS 20 -11.687 5.590 19.119 182 HD3 LYS 20 2HD LYS 20 -11.500 6.840 20.356 183 HE2 LYS 20 1HE LYS 20 -12.252 8.164 18.662 184 HE3 LYS 20 2HE LYS 20 -10.519 8.249 18.310 185 HZ1 LYS 20 3HZ LYS 20 -11.877 7.790 16.338 186 HZ2 LYS 20 1HZ LYS 20 -12.436 6.387 17.000 187 HZ3 LYS 20 2HZ LYS 20 -10.834 6.545 16.623 188 H THR 21 H THR 21 -8.647 2.326 18.344 189 HA THR 21 HA THR 21 -9.078 1.826 21.143 190 HB THR 21 HB THR 21 -9.333 -0.600 20.372 191 HG1 THR 21 HG1 THR 21 -7.987 -0.465 18.526 192 HG21 THR 21 1HG2 THR 21 -10.906 1.541 18.890 193 HG22 THR 21 2HG2 THR 21 -11.277 0.881 20.500 194 HG23 THR 21 3HG2 THR 21 -11.384 -0.157 19.062 195 H ARG 22 H ARG 22 -6.204 1.552 19.186 196 HA ARG 22 HA ARG 22 -4.929 -0.426 20.898 197 HB2 ARG 22 1HB ARG 22 -4.364 0.691 18.446 198 HB3 ARG 22 2HB ARG 22 -3.222 1.537 19.484 199 HG2 ARG 22 1HG ARG 22 -3.465 -1.490 19.208 200 HG3 ARG 22 2HG ARG 22 -2.228 -0.477 18.447 201 HD2 ARG 22 1HD ARG 22 -1.523 0.253 20.771 202 HD3 ARG 22 2HD ARG 22 -2.615 -0.976 21.423 203 HE ARG 22 HE ARG 22 -0.038 -1.400 20.091 204 HH11 ARG 22 1HH1 ARG 22 -2.982 -2.982 21.252 205 HH12 ARG 22 2HH1 ARG 22 -2.218 -4.562 21.282 206 HH21 ARG 22 1HH2 ARG 22 0.852 -3.420 20.212 207 HH22 ARG 22 2HH2 ARG 22 -0.099 -4.798 20.726 208 H GLY 23 H GLY 23 -5.632 2.980 21.120 209 HA2 GLY 23 1HA GLY 23 -5.358 4.383 22.920 210 HA3 GLY 23 2HA GLY 23 -4.721 3.011 23.836 211 H VAL 24 H VAL 24 -3.158 3.902 20.830 212 HA VAL 24 HA VAL 24 -0.916 5.002 22.468 213 HB VAL 24 HB VAL 24 -0.557 2.656 21.582 214 HG11 VAL 24 1HG1 VAL 24 -0.403 4.020 18.865 215 HG12 VAL 24 2HG1 VAL 24 -0.063 2.314 19.220 216 HG13 VAL 24 3HG1 VAL 24 -1.707 2.955 19.397 217 HG21 VAL 24 3HG2 VAL 24 1.381 4.770 20.560 218 HG22 VAL 24 1HG2 VAL 24 1.327 4.105 22.211 219 HG23 VAL 24 2HG2 VAL 24 1.746 3.055 20.842 220 H LYS 25 H LYS 25 0.228 6.737 21.684 221 HA LYS 25 HA LYS 25 -1.286 8.410 19.809 222 HB2 LYS 25 1HB LYS 25 -0.280 9.232 21.966 223 HB3 LYS 25 2HB LYS 25 1.322 8.987 21.266 224 HG2 LYS 25 1HG LYS 25 0.756 10.630 19.474 225 HG3 LYS 25 2HG LYS 25 -0.818 10.897 20.252 226 HD2 LYS 25 1HD LYS 25 0.352 11.603 22.326 227 HD3 LYS 25 2HD LYS 25 1.911 11.373 21.508 228 HE2 LYS 25 1HE LYS 25 1.267 13.073 19.821 229 HE3 LYS 25 2HE LYS 25 -0.276 13.318 20.668 230 HZ1 LYS 25 3HZ LYS 25 1.366 14.971 21.320 231 HZ2 LYS 25 1HZ LYS 25 2.413 13.801 21.828 232 HZ3 LYS 25 2HZ LYS 25 0.982 14.027 22.617 233 H VAL 26 H VAL 26 -1.010 7.188 17.890 234 HA VAL 26 HA VAL 26 1.637 7.643 16.558 235 HB VAL 26 HB VAL 26 -0.117 5.119 16.462 236 HG11 VAL 26 1HG1 VAL 26 1.516 4.213 14.858 237 HG12 VAL 26 2HG1 VAL 26 0.679 5.627 14.202 238 HG13 VAL 26 3HG1 VAL 26 2.344 5.782 14.812 239 HG21 VAL 26 3HG2 VAL 26 2.807 5.503 17.264 240 HG22 VAL 26 1HG2 VAL 26 1.457 5.251 18.387 241 HG23 VAL 26 2HG2 VAL 26 1.914 3.963 17.258 242 H LYS 27 H LYS 27 1.407 8.649 14.591 243 HA LYS 27 HA LYS 27 -1.296 9.569 13.863 244 HB2 LYS 27 1HB LYS 27 0.928 10.870 13.741 245 HB3 LYS 27 2HB LYS 27 1.320 9.873 12.346 246 HG2 LYS 27 1HG LYS 27 -0.651 10.792 11.151 247 HG3 LYS 27 2HG LYS 27 -0.974 11.840 12.554 248 HD2 LYS 27 1HD LYS 27 1.290 12.838 12.313 249 HD3 LYS 27 2HD LYS 27 1.611 11.774 10.936 250 HE2 LYS 27 1HE LYS 27 1.031 13.901 10.031 251 HE3 LYS 27 2HE LYS 27 -0.357 12.833 9.749 252 HZ1 LYS 27 3HZ LYS 27 -0.130 14.832 11.931 253 HZ2 LYS 27 1HZ LYS 27 -1.427 13.844 11.685 254 HZ3 LYS 27 2HZ LYS 27 -1.046 14.998 10.570 255 H PHE 28 H PHE 28 -2.210 9.141 11.683 256 HA PHE 28 HA PHE 28 -2.132 6.432 10.794 257 HB2 PHE 28 1HB PHE 28 -3.003 9.101 9.684 258 HB3 PHE 28 2HB PHE 28 -2.737 7.809 8.512 259 HD1 PHE 28 HD2 PHE 28 -4.658 8.608 11.641 260 HD2 PHE 28 HD1 PHE 28 -4.353 6.214 8.076 261 HE1 PHE 28 HE2 PHE 28 -6.954 7.726 12.035 262 HE2 PHE 28 HE1 PHE 28 -6.630 5.340 8.460 263 HZ PHE 28 HZ PHE 28 -7.945 6.103 10.424 264 H ALA 29 H ALA 29 -0.382 9.323 9.598 265 HA ALA 29 HA ALA 29 0.939 8.072 7.452 266 HB1 ALA 29 3HB ALA 29 2.523 9.921 7.598 267 HB2 ALA 29 1HB ALA 29 0.884 10.539 7.908 268 HB3 ALA 29 2HB ALA 29 2.019 10.272 9.266 269 H ASP 30 H ASP 30 1.767 8.235 10.910 270 HA ASP 30 HA ASP 30 4.400 7.179 10.637 271 HB2 ASP 30 1HB ASP 30 2.509 6.992 13.004 272 HB3 ASP 30 2HB ASP 30 4.256 6.756 13.061 273 H LEU 31 H LEU 31 1.168 5.765 11.323 274 HA LEU 31 HA LEU 31 2.210 3.150 11.728 275 HB2 LEU 31 1HB LEU 31 0.036 3.755 12.629 276 HB3 LEU 31 2HB LEU 31 -0.594 3.993 10.995 277 HG LEU 31 HG LEU 31 -0.288 1.605 10.491 278 HD11 LEU 31 1HD1 LEU 31 0.231 0.029 12.401 279 HD12 LEU 31 2HD1 LEU 31 0.798 1.440 13.320 280 HD13 LEU 31 3HD1 LEU 31 1.605 0.969 11.798 281 HD21 LEU 31 3HD2 LEU 31 -1.986 0.669 11.966 282 HD22 LEU 31 1HD2 LEU 31 -2.408 2.305 11.439 283 HD23 LEU 31 2HD2 LEU 31 -1.780 2.037 13.084 284 H LEU 32 H LEU 32 0.403 4.531 8.993 285 HA LEU 32 HA LEU 32 0.679 2.181 7.387 286 HB2 LEU 32 1HB LEU 32 0.027 5.047 6.749 287 HB3 LEU 32 2HB LEU 32 0.304 3.891 5.461 288 HG LEU 32 HG LEU 32 -2.038 4.069 5.770 289 HD11 LEU 32 1HD1 LEU 32 -1.152 1.760 5.395 290 HD12 LEU 32 2HD1 LEU 32 -2.743 1.829 6.172 291 HD13 LEU 32 3HD1 LEU 32 -1.302 1.475 7.145 292 HD21 LEU 32 3HD2 LEU 32 -3.187 3.701 7.824 293 HD22 LEU 32 1HD2 LEU 32 -1.985 4.977 8.034 294 HD23 LEU 32 2HD2 LEU 32 -1.658 3.345 8.676 295 H LYS 33 H LYS 33 3.006 4.683 8.019 296 HA LYS 33 HA LYS 33 4.626 4.250 5.685 297 HB2 LYS 33 1HB LYS 33 5.113 6.079 7.233 298 HB3 LYS 33 2HB LYS 33 5.460 4.929 8.530 299 HG2 LYS 33 1HG LYS 33 7.544 5.803 7.626 300 HG3 LYS 33 2HG LYS 33 7.407 4.077 7.270 301 HD2 LYS 33 1HD LYS 33 6.518 4.736 4.949 302 HD3 LYS 33 2HD LYS 33 6.966 6.404 5.334 303 HE2 LYS 33 1HE LYS 33 8.831 3.995 5.264 304 HE3 LYS 33 2HE LYS 33 8.681 5.220 3.991 305 HZ1 LYS 33 3HZ LYS 33 10.569 5.654 5.421 306 HZ2 LYS 33 1HZ LYS 33 9.604 5.738 6.756 307 HZ3 LYS 33 2HZ LYS 33 9.467 6.873 5.566 308 H PHE 34 H PHE 34 4.178 2.321 8.632 309 HA PHE 34 HA PHE 34 6.391 0.555 7.876 310 HB2 PHE 34 1HB PHE 34 4.400 0.540 10.123 311 HB3 PHE 34 2HB PHE 34 5.507 -0.803 9.832 312 HD1 PHE 34 HD1 PHE 34 5.274 2.758 10.745 313 HD2 PHE 34 HD2 PHE 34 7.912 -0.578 10.220 314 HE1 PHE 34 HE1 PHE 34 7.082 4.052 11.834 315 HE2 PHE 34 HE2 PHE 34 9.751 0.707 11.312 316 HZ PHE 34 HZ PHE 34 9.337 3.036 12.108 317 H PHE 35 H PHE 35 2.953 0.727 7.281 318 HA PHE 35 HA PHE 35 2.686 -1.996 6.264 319 HB2 PHE 35 1HB PHE 35 1.169 0.589 5.752 320 HB3 PHE 35 2HB PHE 35 0.819 -0.895 4.880 321 HD1 PHE 35 HD2 PHE 35 1.440 -0.112 8.556 322 HD2 PHE 35 HD1 PHE 35 -1.118 -1.876 5.583 323 HE1 PHE 35 HE2 PHE 35 -0.109 -0.873 10.335 324 HE2 PHE 35 HE1 PHE 35 -2.678 -2.615 7.360 325 HZ PHE 35 HZ PHE 35 -2.178 -2.119 9.746 326 H ASP 36 H ASP 36 4.031 1.057 5.170 327 HA ASP 36 HA ASP 36 4.307 0.211 2.391 328 HB2 ASP 36 1HB ASP 36 4.377 2.621 3.784 329 HB3 ASP 36 2HB ASP 36 6.073 2.355 3.356 330 H PHE 37 H PHE 37 6.144 -0.125 5.351 331 HA PHE 37 HA PHE 37 8.714 -0.512 4.087 332 HB2 PHE 37 1HB PHE 37 8.126 0.054 6.560 333 HB3 PHE 37 2HB PHE 37 7.902 -1.686 6.760 334 HD1 PHE 37 HD2 PHE 37 9.955 -3.184 5.964 335 HD2 PHE 37 HD1 PHE 37 10.226 1.011 6.851 336 HE1 PHE 37 HE2 PHE 37 12.403 -3.431 6.321 337 HE2 PHE 37 HE1 PHE 37 12.686 0.781 7.204 338 HZ PHE 37 HZ PHE 37 13.778 -1.443 6.943 339 H VAL 38 H VAL 38 6.083 -2.690 5.183 340 HA VAL 38 HA VAL 38 7.478 -5.107 4.452 341 HB VAL 38 HB VAL 38 5.709 -5.391 6.014 342 HG11 VAL 38 1HG1 VAL 38 3.349 -4.835 5.545 343 HG12 VAL 38 2HG1 VAL 38 4.412 -3.430 5.655 344 HG13 VAL 38 3HG1 VAL 38 3.880 -4.014 4.065 345 HG21 VAL 38 3HG2 VAL 38 4.543 -6.403 3.383 346 HG22 VAL 38 1HG2 VAL 38 5.833 -7.208 4.308 347 HG23 VAL 38 2HG2 VAL 38 4.214 -7.035 5.011 348 H LYS 39 H LYS 39 5.659 -2.730 2.620 349 HA LYS 39 HA LYS 39 5.038 -4.253 0.300 350 HB2 LYS 39 1HB LYS 39 4.456 -1.798 0.896 351 HB3 LYS 39 2HB LYS 39 6.064 -1.401 0.296 352 HG2 LYS 39 1HG LYS 39 5.374 -2.485 -1.909 353 HG3 LYS 39 2HG LYS 39 3.718 -2.471 -1.259 354 HD2 LYS 39 1HD LYS 39 4.179 0.040 -0.737 355 HD3 LYS 39 2HD LYS 39 5.556 -0.115 -1.832 356 HE2 LYS 39 1HE LYS 39 2.640 -0.679 -2.529 357 HE3 LYS 39 2HE LYS 39 3.535 0.787 -2.958 358 HZ1 LYS 39 3HZ LYS 39 3.462 -0.788 -4.773 359 HZ2 LYS 39 1HZ LYS 39 4.203 -1.948 -3.862 360 HZ3 LYS 39 2HZ LYS 39 5.021 -0.576 -4.274 361 H ASP 40 H ASP 40 8.032 -2.655 1.342 362 HA ASP 40 HA ASP 40 9.443 -3.230 -1.145 363 HB2 ASP 40 1HB ASP 40 9.915 -1.232 0.221 364 HB3 ASP 40 2HB ASP 40 10.402 -2.261 1.574 365 H THR 41 H THR 41 9.859 -4.353 2.273 366 HA THR 41 HA THR 41 11.921 -6.199 1.524 367 HB THR 41 HB THR 41 10.269 -6.576 4.019 368 HG1 THR 41 HG1 THR 41 11.911 -4.372 3.311 369 HG21 THR 41 1HG2 THR 41 13.249 -6.551 3.419 370 HG22 THR 41 2HG2 THR 41 12.235 -7.999 3.610 371 HG23 THR 41 3HG2 THR 41 12.507 -6.916 4.990 372 H CYS 42 H CYS 42 8.459 -6.490 1.592 373 HA CYS 42 HA CYS 42 8.737 -9.359 0.776 374 HB2 CYS 42 1HB CYS 42 6.538 -8.081 2.427 375 HB3 CYS 42 2HB CYS 42 6.476 -9.713 1.758 376 HG CYS 42 HG CYS 42 8.826 -8.545 3.730 377 HA PRO 43 HA PRO 43 6.686 -6.726 -2.430 378 HB2 PRO 43 1HB PRO 43 7.985 -7.662 -4.634 379 HB3 PRO 43 2HB PRO 43 8.724 -6.446 -3.540 380 HG2 PRO 43 1HG PRO 43 9.115 -9.435 -3.577 381 HG3 PRO 43 2HG PRO 43 10.352 -8.138 -3.576 382 HD2 PRO 43 1HD PRO 43 9.589 -9.406 -1.301 383 HD3 PRO 43 2HD PRO 43 10.009 -7.655 -1.315 384 H TRP 44 H TRP 44 7.080 -10.079 -1.861 385 HA TRP 44 HA TRP 44 5.118 -10.962 -3.849 386 HB2 TRP 44 1HB TRP 44 5.394 -13.115 -2.381 387 HB3 TRP 44 2HB TRP 44 6.708 -12.596 -3.446 388 HD1 TRP 44 HD1 TRP 44 5.787 -11.830 0.280 389 HE1 TRP 44 HE1 TRP 44 7.891 -11.862 1.712 390 HE3 TRP 44 HE3 TRP 44 9.133 -12.862 -3.442 391 HZ2 TRP 44 HZ2 TRP 44 10.678 -12.285 1.297 392 HZ3 TRP 44 HZ3 TRP 44 11.559 -13.062 -2.848 393 HH2 TRP 44 HH2 TRP 44 12.310 -12.773 -0.488 394 H PHE 45 H PHE 45 5.023 -9.637 -0.620 395 HA PHE 45 HA PHE 45 2.800 -11.129 0.365 396 HB2 PHE 45 1HB PHE 45 4.304 -9.712 1.744 397 HB3 PHE 45 2HB PHE 45 3.569 -8.269 1.046 398 HD1 PHE 45 HD2 PHE 45 1.151 -7.748 1.521 399 HD2 PHE 45 HD1 PHE 45 3.231 -10.959 3.493 400 HE1 PHE 45 HE2 PHE 45 -0.622 -7.819 3.260 401 HE2 PHE 45 HE1 PHE 45 1.463 -11.028 5.249 402 HZ PHE 45 HZ PHE 45 -0.474 -9.452 5.132 403 HA PRO 46 HA PRO 46 -0.150 -7.936 -1.235 404 HB2 PRO 46 1HB PRO 46 0.389 -6.346 -3.388 405 HB3 PRO 46 2HB PRO 46 0.730 -5.835 -1.703 406 HG2 PRO 46 1HG PRO 46 2.603 -7.076 -3.703 407 HG3 PRO 46 2HG PRO 46 2.813 -5.577 -2.741 408 HD2 PRO 46 1HD PRO 46 3.888 -7.893 -1.929 409 HD3 PRO 46 2HD PRO 46 3.146 -6.769 -0.745 410 H GLN 47 H GLN 47 2.093 -9.603 -3.366 411 HA GLN 47 HA GLN 47 0.157 -10.071 -5.473 412 HB2 GLN 47 1HB GLN 47 2.756 -11.516 -4.830 413 HB3 GLN 47 2HB GLN 47 1.803 -11.708 -6.304 414 HG2 GLN 47 1HG GLN 47 2.118 -9.225 -6.704 415 HG3 GLN 47 2HG GLN 47 3.296 -9.240 -5.385 416 HE21 GLN 47 2HE2 GLN 47 3.564 -8.699 -8.296 417 HE22 GLN 47 1HE2 GLN 47 4.790 -9.806 -8.859 418 H GLU 48 H GLU 48 0.640 -11.454 -2.331 419 HA GLU 48 HA GLU 48 -0.467 -14.071 -3.040 420 HB2 GLU 48 1HB GLU 48 -0.127 -12.688 -0.347 421 HB3 GLU 48 2HB GLU 48 -0.740 -14.324 -0.570 422 HG2 GLU 48 1HG GLU 48 1.533 -14.663 -1.883 423 HG3 GLU 48 2HG GLU 48 2.045 -13.289 -0.889 424 H GLY 49 H GLY 49 -1.685 -10.912 -2.044 425 HA2 GLY 49 1HA GLY 49 -3.849 -10.141 -1.745 426 HA3 GLY 49 2HA GLY 49 -4.386 -11.518 -2.715 427 H THR 50 H THR 50 -2.528 -12.172 0.142 428 HA THR 50 HA THR 50 -4.999 -13.079 1.563 429 HB THR 50 HB THR 50 -2.364 -14.615 1.280 430 HG1 THR 50 HG1 THR 50 -3.661 -14.547 -0.662 431 HG21 THR 50 1HG2 THR 50 -3.514 -15.144 3.369 432 HG22 THR 50 2HG2 THR 50 -3.696 -16.492 2.227 433 HG23 THR 50 3HG2 THR 50 -5.051 -15.369 2.496 434 H ILE 51 H ILE 51 -5.081 -12.410 3.621 435 HA ILE 51 HA ILE 51 -2.501 -11.640 4.948 436 HB ILE 51 HB ILE 51 -5.141 -10.127 5.033 437 HG12 ILE 51 1HG1 ILE 51 -2.417 -9.307 3.959 438 HG13 ILE 51 2HG1 ILE 51 -3.739 -9.873 2.948 439 HG21 ILE 51 1HG2 ILE 51 -3.989 -8.519 6.509 440 HG22 ILE 51 2HG2 ILE 51 -3.925 -10.120 7.249 441 HG23 ILE 51 3HG2 ILE 51 -2.484 -9.469 6.431 442 HD11 ILE 51 3HD1 ILE 51 -5.111 -8.008 3.702 443 HD12 ILE 51 1HD1 ILE 51 -3.724 -7.394 4.627 444 HD13 ILE 51 2HD1 ILE 51 -3.625 -7.513 2.868 445 H ASP 52 H ASP 52 -2.217 -13.170 6.346 446 HA ASP 52 HA ASP 52 -4.194 -13.455 8.512 447 HB2 ASP 52 1HB ASP 52 -4.645 -15.372 6.916 448 HB3 ASP 52 2HB ASP 52 -2.952 -15.858 7.127 449 H ILE 53 H ILE 53 -3.006 -14.602 10.356 450 HA ILE 53 HA ILE 53 -0.493 -13.326 10.726 451 HB ILE 53 HB ILE 53 -2.014 -14.035 12.532 452 HG12 ILE 53 1HG1 ILE 53 -0.296 -14.884 14.114 453 HG13 ILE 53 2HG1 ILE 53 0.782 -15.167 12.748 454 HG21 ILE 53 1HG2 ILE 53 -1.069 -16.870 12.051 455 HG22 ILE 53 2HG2 ILE 53 -2.147 -16.309 13.347 456 HG23 ILE 53 3HG2 ILE 53 -2.693 -16.241 11.661 457 HD11 ILE 53 3HD1 ILE 53 1.134 -13.030 14.065 458 HD12 ILE 53 1HD1 ILE 53 1.003 -12.836 12.308 459 HD13 ILE 53 2HD1 ILE 53 -0.380 -12.435 13.358 460 H LYS 54 H LYS 54 -1.392 -16.452 9.406 461 HA LYS 54 HA LYS 54 1.212 -17.623 9.584 462 HB2 LYS 54 1HB LYS 54 -1.020 -18.107 7.554 463 HB3 LYS 54 2HB LYS 54 0.349 -19.190 7.846 464 HG2 LYS 54 1HG LYS 54 -0.455 -19.623 10.140 465 HG3 LYS 54 2HG LYS 54 -1.773 -18.468 9.912 466 HD2 LYS 54 1HD LYS 54 -2.526 -19.920 7.925 467 HD3 LYS 54 2HD LYS 54 -1.387 -21.139 8.528 468 HE2 LYS 54 1HE LYS 54 -3.368 -21.808 9.567 469 HE3 LYS 54 2HE LYS 54 -2.653 -20.780 10.823 470 HZ1 LYS 54 3HZ LYS 54 -4.901 -20.119 10.604 471 HZ2 LYS 54 1HZ LYS 54 -4.850 -20.088 8.958 472 HZ3 LYS 54 2HZ LYS 54 -4.057 -18.931 9.819 473 H ARG 55 H ARG 55 -0.167 -15.284 7.354 474 HA ARG 55 HA ARG 55 2.103 -15.529 5.453 475 HB2 ARG 55 1HB ARG 55 -0.051 -13.375 5.634 476 HB3 ARG 55 2HB ARG 55 1.025 -13.675 4.274 477 HG2 ARG 55 1HG ARG 55 -1.115 -15.633 5.220 478 HG3 ARG 55 2HG ARG 55 -1.357 -14.414 3.974 479 HD2 ARG 55 1HD ARG 55 -0.819 -16.117 2.600 480 HD3 ARG 55 2HD ARG 55 0.824 -15.565 2.944 481 HE ARG 55 HE ARG 55 0.069 -17.456 4.919 482 HH11 ARG 55 1HH1 ARG 55 0.860 -17.398 1.468 483 HH12 ARG 55 2HH1 ARG 55 1.354 -19.076 1.484 484 HH21 ARG 55 1HH2 ARG 55 0.749 -19.569 4.841 485 HH22 ARG 55 2HH2 ARG 55 1.297 -20.269 3.345 486 H TRP 56 H TRP 56 0.725 -13.229 7.799 487 HA TRP 56 HA TRP 56 2.566 -11.133 7.534 488 HB2 TRP 56 1HB TRP 56 0.382 -11.130 8.749 489 HB3 TRP 56 2HB TRP 56 1.158 -12.088 10.035 490 HD1 TRP 56 HD1 TRP 56 1.958 -10.607 11.999 491 HE1 TRP 56 HE1 TRP 56 2.767 -8.219 12.388 492 HE3 TRP 56 HE3 TRP 56 1.732 -8.998 7.146 493 HZ2 TRP 56 HZ2 TRP 56 3.266 -5.914 10.795 494 HZ3 TRP 56 HZ3 TRP 56 2.445 -6.659 6.632 495 HH2 TRP 56 HH2 TRP 56 3.190 -5.131 8.453 496 H ARG 57 H ARG 57 2.800 -14.024 9.588 497 HA ARG 57 HA ARG 57 4.797 -13.045 11.301 498 HB2 ARG 57 1HB ARG 57 5.276 -15.382 11.782 499 HB3 ARG 57 2HB ARG 57 3.545 -15.025 11.749 500 HG2 ARG 57 1HG ARG 57 3.501 -15.925 9.433 501 HG3 ARG 57 2HG ARG 57 5.128 -16.590 9.779 502 HD2 ARG 57 1HD ARG 57 4.133 -17.500 11.939 503 HD3 ARG 57 2HD ARG 57 2.532 -17.044 11.305 504 HE ARG 57 HE ARG 57 3.825 -18.603 9.327 505 HH11 ARG 57 1HH1 ARG 57 2.689 -19.111 12.634 506 HH12 ARG 57 2HH1 ARG 57 2.438 -20.818 12.387 507 HH21 ARG 57 1HH2 ARG 57 3.481 -20.789 9.088 508 HH22 ARG 57 2HH2 ARG 57 2.879 -21.748 10.412 509 H ARG 58 H ARG 58 5.088 -14.497 8.133 510 HA ARG 58 HA ARG 58 7.935 -14.722 8.054 511 HB2 ARG 58 1HB ARG 58 5.910 -14.351 5.835 512 HB3 ARG 58 2HB ARG 58 7.633 -14.590 5.571 513 HG2 ARG 58 1HG ARG 58 7.310 -16.715 7.072 514 HG3 ARG 58 2HG ARG 58 5.600 -16.532 6.624 515 HD2 ARG 58 1HD ARG 58 6.643 -18.013 5.024 516 HD3 ARG 58 2HD ARG 58 6.330 -16.473 4.205 517 HE ARG 58 HE ARG 58 9.000 -17.354 5.255 518 HH11 ARG 58 1HH1 ARG 58 7.157 -15.442 2.907 519 HH12 ARG 58 2HH1 ARG 58 8.600 -14.908 2.090 520 HH21 ARG 58 1HH2 ARG 58 10.777 -16.617 4.156 521 HH22 ARG 58 2HH2 ARG 58 10.602 -15.557 2.785 522 H VAL 59 H VAL 59 5.949 -11.870 7.817 523 HA VAL 59 HA VAL 59 7.787 -10.294 6.255 524 HB VAL 59 HB VAL 59 5.768 -9.443 8.377 525 HG11 VAL 59 1HG1 VAL 59 7.154 -7.847 6.210 526 HG12 VAL 59 2HG1 VAL 59 5.814 -7.267 7.233 527 HG13 VAL 59 3HG1 VAL 59 7.371 -7.681 7.966 528 HG21 VAL 59 3HG2 VAL 59 5.528 -9.699 5.360 529 HG22 VAL 59 1HG2 VAL 59 4.712 -10.699 6.583 530 HG23 VAL 59 2HG2 VAL 59 4.305 -8.984 6.435 531 H GLY 60 H GLY 60 7.406 -11.057 9.699 532 HA2 GLY 60 1HA GLY 60 9.419 -9.188 10.556 533 HA3 GLY 60 2HA GLY 60 8.737 -10.541 11.484 534 H ASP 61 H ASP 61 9.401 -12.605 9.580 535 HA ASP 61 HA ASP 61 12.094 -13.218 10.301 536 HB2 ASP 61 1HB ASP 61 10.507 -14.247 7.902 537 HB3 ASP 61 2HB ASP 61 11.952 -14.997 8.586 538 H CYS 62 H CYS 62 10.579 -11.790 7.421 539 HA CYS 62 HA CYS 62 12.913 -11.542 5.803 540 HB2 CYS 62 1HB CYS 62 10.142 -10.739 5.768 541 HB3 CYS 62 2HB CYS 62 11.141 -9.356 5.328 542 HG CYS 62 HG CYS 62 10.727 -10.070 3.069 543 H PHE 63 H PHE 63 11.408 -9.259 8.154 544 HA PHE 63 HA PHE 63 13.244 -7.116 7.603 545 HB2 PHE 63 1HB PHE 63 11.793 -7.821 10.176 546 HB3 PHE 63 2HB PHE 63 12.666 -6.326 9.907 547 HD1 PHE 63 HD2 PHE 63 11.477 -6.431 6.774 548 HD2 PHE 63 HD1 PHE 63 9.873 -6.274 10.772 549 HE1 PHE 63 HE2 PHE 63 9.440 -5.327 5.907 550 HE2 PHE 63 HE1 PHE 63 7.834 -5.141 9.901 551 HZ PHE 63 HZ PHE 63 7.616 -4.660 7.465 552 H GLN 64 H GLN 64 13.341 -9.934 9.801 553 HA GLN 64 HA GLN 64 15.669 -9.027 11.207 554 HB2 GLN 64 1HB GLN 64 14.061 -10.796 11.984 555 HB3 GLN 64 2HB GLN 64 14.749 -11.885 10.773 556 HG2 GLN 64 1HG GLN 64 15.727 -12.312 12.979 557 HG3 GLN 64 2HG GLN 64 16.957 -11.713 11.859 558 HE21 GLN 64 2HE2 GLN 64 18.315 -10.289 12.723 559 HE22 GLN 64 1HE2 GLN 64 17.900 -9.145 13.983 560 H ASP 65 H ASP 65 15.206 -11.080 8.314 561 HA ASP 65 HA ASP 65 17.934 -11.865 8.078 562 HB2 ASP 65 1HB ASP 65 15.842 -12.706 6.851 563 HB3 ASP 65 2HB ASP 65 16.059 -11.340 5.756 564 H TYR 66 H TYR 66 16.116 -9.111 6.715 565 HA TYR 66 HA TYR 66 18.363 -8.001 5.321 566 HB2 TYR 66 1HB TYR 66 15.894 -7.533 4.965 567 HB3 TYR 66 2HB TYR 66 15.946 -6.522 6.405 568 HD1 TYR 66 HD1 TYR 66 18.937 -6.470 4.194 569 HD2 TYR 66 HD2 TYR 66 15.106 -4.640 4.971 570 HE1 TYR 66 HE1 TYR 66 19.562 -4.534 2.772 571 HE2 TYR 66 HE2 TYR 66 15.756 -2.708 3.538 572 HH TYR 66 HH TYR 66 17.319 -1.834 2.134 573 H PHE 67 H PHE 67 17.082 -7.633 8.616 574 HA PHE 67 HA PHE 67 18.804 -5.452 9.408 575 HB2 PHE 67 1HB PHE 67 16.773 -6.193 10.636 576 HB3 PHE 67 2HB PHE 67 17.588 -7.697 11.066 577 HD1 PHE 67 HD2 PHE 67 19.626 -7.622 12.586 578 HD2 PHE 67 HD1 PHE 67 17.089 -4.214 11.913 579 HE1 PHE 67 HE2 PHE 67 20.524 -6.550 14.645 580 HE2 PHE 67 HE1 PHE 67 17.954 -3.152 13.978 581 HZ PHE 67 HZ PHE 67 19.688 -4.307 15.348 582 H ASN 68 H ASN 68 19.244 -9.013 9.353 583 HA ASN 68 HA ASN 68 21.575 -9.068 10.985 584 HB2 ASN 68 1HB ASN 68 20.730 -10.883 8.688 585 HB3 ASN 68 2HB ASN 68 22.075 -11.224 9.780 586 HD21 ASN 68 2HD2 ASN 68 19.667 -12.758 9.303 587 HD22 ASN 68 1HD2 ASN 68 18.886 -12.904 10.859 588 H THR 69 H THR 69 21.171 -8.372 7.532 589 HA THR 69 HA THR 69 23.909 -8.729 6.841 590 HB THR 69 HB THR 69 21.929 -6.892 5.437 591 HG1 THR 69 HG1 THR 69 21.141 -8.771 4.471 592 HG21 THR 69 1HG2 THR 69 23.075 -7.712 3.411 593 HG22 THR 69 2HG2 THR 69 24.138 -8.726 4.411 594 HG23 THR 69 3HG2 THR 69 24.241 -6.952 4.516 595 H PHE 70 H PHE 70 22.111 -5.765 7.782 596 HA PHE 70 HA PHE 70 24.747 -4.328 7.770 597 HB2 PHE 70 1HB PHE 70 22.047 -3.448 6.798 598 HB3 PHE 70 2HB PHE 70 23.352 -2.304 7.123 599 HD1 PHE 70 HD2 PHE 70 25.571 -2.628 5.865 600 HD2 PHE 70 HD1 PHE 70 21.891 -4.544 4.721 601 HE1 PHE 70 HE2 PHE 70 26.478 -2.985 3.572 602 HE2 PHE 70 HE1 PHE 70 22.785 -4.905 2.423 603 HZ PHE 70 HZ PHE 70 25.083 -4.121 1.843 604 H GLY 71 H GLY 71 22.391 -5.345 9.897 605 HA2 GLY 71 1HA GLY 71 22.171 -4.736 12.123 606 HA3 GLY 71 2HA GLY 71 23.276 -3.382 11.850 607 HA PRO 72 HA PRO 72 18.990 -1.763 12.481 608 HB2 PRO 72 1HB PRO 72 19.597 0.252 14.213 609 HB3 PRO 72 2HB PRO 72 19.435 -1.452 14.745 610 HG2 PRO 72 1HG PRO 72 21.926 0.061 14.030 611 HG3 PRO 72 2HG PRO 72 21.569 -0.882 15.510 612 HD2 PRO 72 1HD PRO 72 22.964 -1.951 13.470 613 HD3 PRO 72 2HD PRO 72 21.764 -2.934 14.383 614 H GLU 73 H GLU 73 21.866 -0.526 11.155 615 HA GLU 73 HA GLU 73 20.928 2.122 10.471 616 HB2 GLU 73 1HB GLU 73 23.094 0.468 9.126 617 HB3 GLU 73 2HB GLU 73 22.918 2.227 9.103 618 HG2 GLU 73 1HG GLU 73 23.666 0.467 11.468 619 HG3 GLU 73 2HG GLU 73 24.700 1.634 10.630 620 H LYS 74 H LYS 74 19.998 -0.927 9.430 621 HA LYS 74 HA LYS 74 19.183 0.127 6.744 622 HB2 LYS 74 1HB LYS 74 20.639 -2.129 7.360 623 HB3 LYS 74 2HB LYS 74 19.013 -2.777 7.179 624 HG2 LYS 74 1HG LYS 74 20.089 -2.942 5.069 625 HG3 LYS 74 2HG LYS 74 18.885 -1.647 4.940 626 HD2 LYS 74 1HD LYS 74 20.639 0.048 5.181 627 HD3 LYS 74 2HD LYS 74 21.846 -1.215 5.472 628 HE2 LYS 74 1HE LYS 74 21.353 -2.152 3.210 629 HE3 LYS 74 2HE LYS 74 20.275 -0.769 2.917 630 HZ1 LYS 74 3HZ LYS 74 23.174 -0.620 3.520 631 HZ2 LYS 74 1HZ LYS 74 22.191 0.685 3.298 632 HZ3 LYS 74 2HZ LYS 74 22.481 -0.351 2.047 633 H VAL 75 H VAL 75 18.131 -1.965 9.458 634 HA VAL 75 HA VAL 75 15.329 -1.204 8.715 635 HB VAL 75 HB VAL 75 16.320 -3.805 9.998 636 HG11 VAL 75 1HG1 VAL 75 13.499 -2.951 9.231 637 HG12 VAL 75 2HG1 VAL 75 13.974 -4.561 9.818 638 HG13 VAL 75 3HG1 VAL 75 14.128 -3.158 10.886 639 HG21 VAL 75 3HG2 VAL 75 15.436 -4.898 7.940 640 HG22 VAL 75 1HG2 VAL 75 15.168 -3.286 7.233 641 HG23 VAL 75 2HG2 VAL 75 16.815 -3.833 7.626 642 HA PRO 76 HA PRO 76 16.045 0.401 12.768 643 HB2 PRO 76 1HB PRO 76 13.618 1.441 13.422 644 HB3 PRO 76 2HB PRO 76 14.670 2.198 12.202 645 HG2 PRO 76 1HG PRO 76 12.337 0.377 11.791 646 HG3 PRO 76 2HG PRO 76 12.707 1.929 10.987 647 HD2 PRO 76 1HD PRO 76 13.280 -0.492 9.859 648 HD3 PRO 76 2HD PRO 76 14.307 0.961 9.596 649 H VAL 77 H VAL 77 15.665 -0.263 14.955 650 HA VAL 77 HA VAL 77 14.579 -2.888 15.266 651 HB VAL 77 HB VAL 77 14.841 -2.498 17.711 652 HG11 VAL 77 1HG1 VAL 77 16.760 -3.224 16.304 653 HG12 VAL 77 2HG1 VAL 77 17.221 -1.522 16.063 654 HG13 VAL 77 3HG1 VAL 77 17.280 -2.242 17.688 655 HG21 VAL 77 3HG2 VAL 77 15.798 -0.380 18.537 656 HG22 VAL 77 1HG2 VAL 77 15.702 0.328 16.913 657 HG23 VAL 77 2HG2 VAL 77 14.214 -0.094 17.798 658 H THR 78 H THR 78 13.081 0.254 15.256 659 HA THR 78 HA THR 78 10.747 -0.581 16.751 660 HB THR 78 HB THR 78 11.529 1.846 16.331 661 HG1 THR 78 HG1 THR 78 9.377 2.520 16.555 662 HG21 THR 78 1HG2 THR 78 10.627 3.021 14.484 663 HG22 THR 78 2HG2 THR 78 9.728 1.593 13.937 664 HG23 THR 78 3HG2 THR 78 11.499 1.632 13.815 665 H ALA 79 H ALA 79 11.824 -1.149 13.471 666 HA ALA 79 HA ALA 79 9.213 -1.358 12.287 667 HB1 ALA 79 3HB ALA 79 11.793 -2.836 11.651 668 HB2 ALA 79 1HB ALA 79 10.346 -2.800 10.617 669 HB3 ALA 79 2HB ALA 79 11.246 -1.303 10.935 670 H PHE 80 H PHE 80 11.206 -3.577 14.217 671 HA PHE 80 HA PHE 80 9.440 -5.841 13.891 672 HB2 PHE 80 1HB PHE 80 11.442 -5.205 16.086 673 HB3 PHE 80 2HB PHE 80 10.723 -6.786 15.762 674 HD1 PHE 80 HD2 PHE 80 11.415 -8.112 13.810 675 HD2 PHE 80 HD1 PHE 80 13.194 -4.291 14.654 676 HE1 PHE 80 HE2 PHE 80 13.249 -8.617 12.224 677 HE2 PHE 80 HE1 PHE 80 15.028 -4.773 13.052 678 HZ PHE 80 HZ PHE 80 15.058 -6.947 11.826 679 H SER 81 H SER 81 9.549 -3.055 16.006 680 HA SER 81 HA SER 81 7.737 -4.132 18.018 681 HB2 SER 81 1HB SER 81 9.345 -2.285 18.490 682 HB3 SER 81 2HB SER 81 8.443 -1.237 17.377 683 HG SER 81 HG SER 81 7.820 -0.969 19.576 684 H TYR 82 H TYR 82 7.496 -1.928 15.217 685 HA TYR 82 HA TYR 82 4.668 -1.524 15.342 686 HB2 TYR 82 1HB TYR 82 6.845 -1.236 13.310 687 HB3 TYR 82 2HB TYR 82 5.194 -1.380 12.693 688 HD1 TYR 82 HD2 TYR 82 3.501 0.286 13.158 689 HD2 TYR 82 HD1 TYR 82 7.517 0.782 14.645 690 HE1 TYR 82 HE2 TYR 82 3.035 2.706 13.656 691 HE2 TYR 82 HE1 TYR 82 7.043 3.178 15.124 692 HH TYR 82 HH TYR 82 5.512 4.882 15.005 693 H TRP 83 H TRP 83 6.721 -3.965 13.711 694 HA TRP 83 HA TRP 83 4.658 -5.307 12.352 695 HB2 TRP 83 1HB TRP 83 7.006 -5.767 11.933 696 HB3 TRP 83 2HB TRP 83 7.253 -6.256 13.596 697 HD1 TRP 83 HD1 TRP 83 5.501 -7.603 10.423 698 HE1 TRP 83 HE1 TRP 83 5.314 -10.138 10.565 699 HE3 TRP 83 HE3 TRP 83 7.305 -8.149 15.171 700 HZ2 TRP 83 HZ2 TRP 83 5.977 -12.162 12.491 701 HZ3 TRP 83 HZ3 TRP 83 7.528 -10.452 16.119 702 HH2 TRP 83 HH2 TRP 83 6.870 -12.441 14.765 703 H ASN 84 H ASN 84 5.756 -5.586 15.712 704 HA ASN 84 HA ASN 84 4.191 -7.924 16.346 705 HB2 ASN 84 1HB ASN 84 5.773 -5.909 17.872 706 HB3 ASN 84 2HB ASN 84 4.503 -6.763 18.758 707 HD21 ASN 84 2HD2 ASN 84 7.669 -6.921 17.548 708 HD22 ASN 84 1HD2 ASN 84 7.977 -8.594 17.959 709 H LEU 85 H LEU 85 3.525 -4.453 16.327 710 HA LEU 85 HA LEU 85 1.148 -4.545 17.927 711 HB2 LEU 85 1HB LEU 85 2.473 -2.518 17.335 712 HB3 LEU 85 2HB LEU 85 1.904 -2.635 15.683 713 HG LEU 85 HG LEU 85 -0.108 -2.363 17.887 714 HD11 LEU 85 1HD1 LEU 85 1.533 -0.091 16.688 715 HD12 LEU 85 2HD1 LEU 85 1.619 -0.666 18.369 716 HD13 LEU 85 3HD1 LEU 85 0.133 0.098 17.766 717 HD21 LEU 85 3HD2 LEU 85 -0.956 -2.684 15.602 718 HD22 LEU 85 1HD2 LEU 85 0.031 -1.323 15.021 719 HD23 LEU 85 2HD2 LEU 85 -1.311 -1.039 16.154 720 H ILE 86 H ILE 86 1.690 -4.813 14.379 721 HA ILE 86 HA ILE 86 -1.171 -5.193 13.906 722 HB ILE 86 HB ILE 86 1.223 -5.631 12.050 723 HG12 ILE 86 1HG1 ILE 86 -0.116 -3.597 10.940 724 HG13 ILE 86 2HG1 ILE 86 -0.652 -3.326 12.597 725 HG21 ILE 86 1HG2 ILE 86 -0.540 -5.599 10.247 726 HG22 ILE 86 2HG2 ILE 86 -0.616 -7.019 11.298 727 HG23 ILE 86 3HG2 ILE 86 -1.785 -5.700 11.528 728 HD11 ILE 86 3HD1 ILE 86 1.528 -2.801 13.325 729 HD12 ILE 86 1HD1 ILE 86 2.296 -3.577 11.920 730 HD13 ILE 86 2HD1 ILE 86 1.417 -2.041 11.726 731 H LYS 87 H LYS 87 1.641 -7.236 14.483 732 HA LYS 87 HA LYS 87 0.723 -9.722 13.567 733 HB2 LYS 87 1HB LYS 87 2.965 -9.418 14.375 734 HB3 LYS 87 2HB LYS 87 2.373 -8.863 15.922 735 HG2 LYS 87 1HG LYS 87 1.524 -11.168 16.375 736 HG3 LYS 87 2HG LYS 87 2.440 -11.680 14.934 737 HD2 LYS 87 1HD LYS 87 4.485 -10.782 15.871 738 HD3 LYS 87 2HD LYS 87 3.592 -10.081 17.227 739 HE2 LYS 87 1HE LYS 87 2.972 -12.345 17.991 740 HE3 LYS 87 2HE LYS 87 3.966 -13.037 16.681 741 HZ1 LYS 87 3HZ LYS 87 5.128 -12.753 18.881 742 HZ2 LYS 87 1HZ LYS 87 5.032 -11.113 18.678 743 HZ3 LYS 87 2HZ LYS 87 5.895 -12.026 17.614 744 H GLU 88 H GLU 88 0.150 -8.280 16.849 745 HA GLU 88 HA GLU 88 -1.483 -10.539 17.598 746 HB2 GLU 88 1HB GLU 88 -2.048 -9.284 19.571 747 HB3 GLU 88 2HB GLU 88 -0.324 -9.101 19.230 748 HG2 GLU 88 1HG GLU 88 -0.780 -6.884 18.231 749 HG3 GLU 88 2HG GLU 88 -2.490 -7.061 18.654 750 H LEU 89 H LEU 89 -2.190 -7.492 15.947 751 HA LEU 89 HA LEU 89 -5.017 -7.560 16.373 752 HB2 LEU 89 1HB LEU 89 -3.300 -6.274 14.258 753 HB3 LEU 89 2HB LEU 89 -5.049 -6.131 14.265 754 HG LEU 89 HG LEU 89 -3.273 -5.229 16.553 755 HD11 LEU 89 1HD1 LEU 89 -4.572 -3.590 14.340 756 HD12 LEU 89 2HD1 LEU 89 -2.834 -3.929 14.502 757 HD13 LEU 89 3HD1 LEU 89 -3.661 -2.950 15.726 758 HD21 LEU 89 3HD2 LEU 89 -5.564 -5.700 17.288 759 HD22 LEU 89 1HD2 LEU 89 -6.220 -4.722 15.954 760 HD23 LEU 89 2HD2 LEU 89 -5.289 -3.951 17.257 761 H ILE 90 H ILE 90 -2.942 -8.950 13.825 762 HA ILE 90 HA ILE 90 -5.269 -9.976 12.376 763 HB ILE 90 HB ILE 90 -2.344 -10.851 12.174 764 HG12 ILE 90 1HG1 ILE 90 -3.857 -8.937 10.352 765 HG13 ILE 90 2HG1 ILE 90 -2.791 -8.397 11.650 766 HG21 ILE 90 1HG2 ILE 90 -3.941 -12.502 11.246 767 HG22 ILE 90 2HG2 ILE 90 -4.724 -11.224 10.285 768 HG23 ILE 90 3HG2 ILE 90 -3.051 -11.713 9.940 769 HD11 ILE 90 3HD1 ILE 90 -0.914 -9.696 10.581 770 HD12 ILE 90 1HD1 ILE 90 -1.988 -10.011 9.198 771 HD13 ILE 90 2HD1 ILE 90 -1.526 -8.349 9.601 772 H ASP 91 H ASP 91 -2.843 -11.272 14.674 773 HA ASP 91 HA ASP 91 -3.586 -14.006 14.472 774 HB2 ASP 91 1HB ASP 91 -1.540 -13.034 15.599 775 HB3 ASP 91 2HB ASP 91 -2.579 -12.561 16.951 776 H LYS 92 H LYS 92 -4.876 -11.355 16.455 777 HA LYS 92 HA LYS 92 -7.003 -13.233 17.419 778 HB2 LYS 92 1HB LYS 92 -5.976 -10.664 18.667 779 HB3 LYS 92 2HB LYS 92 -7.254 -11.692 19.320 780 HG2 LYS 92 1HG LYS 92 -4.368 -12.562 18.912 781 HG3 LYS 92 2HG LYS 92 -5.074 -12.043 20.449 782 HD2 LYS 92 1HD LYS 92 -6.636 -13.939 20.428 783 HD3 LYS 92 2HD LYS 92 -6.081 -14.426 18.817 784 HE2 LYS 92 1HE LYS 92 -5.066 -15.842 20.497 785 HE3 LYS 92 2HE LYS 92 -3.839 -14.863 19.675 786 HZ1 LYS 92 3HZ LYS 92 -3.856 -13.361 21.557 787 HZ2 LYS 92 1HZ LYS 92 -3.488 -14.893 22.046 788 HZ3 LYS 92 2HZ LYS 92 -4.992 -14.274 22.330 789 H LYS 93 H LYS 93 -7.091 -12.066 14.836 790 HA LYS 93 HA LYS 93 -8.767 -9.763 14.740 791 HB2 LYS 93 1HB LYS 93 -9.305 -10.384 12.505 792 HB3 LYS 93 2HB LYS 93 -7.619 -10.820 12.773 793 HG2 LYS 93 1HG LYS 93 -8.320 -13.205 13.096 794 HG3 LYS 93 2HG LYS 93 -9.997 -12.726 12.809 795 HD2 LYS 93 1HD LYS 93 -9.335 -13.575 10.743 796 HD3 LYS 93 2HD LYS 93 -9.210 -11.824 10.532 797 HE2 LYS 93 1HE LYS 93 -7.277 -12.937 9.537 798 HE3 LYS 93 2HE LYS 93 -6.757 -11.970 10.932 799 HZ1 LYS 93 3HZ LYS 93 -7.372 -14.831 11.261 800 HZ2 LYS 93 1HZ LYS 93 -6.408 -13.866 12.194 801 HZ3 LYS 93 2HZ LYS 93 -5.892 -14.369 10.703 802 H GLU 94 H GLU 94 -9.371 -13.056 15.627 803 HA GLU 94 HA GLU 94 -12.149 -13.278 15.190 804 HB2 GLU 94 1HB GLU 94 -11.977 -15.084 16.911 805 HB3 GLU 94 2HB GLU 94 -10.774 -15.188 15.622 806 HG2 GLU 94 1HG GLU 94 -9.088 -14.128 17.143 807 HG3 GLU 94 2HG GLU 94 -10.286 -14.158 18.439 808 H VAL 95 H VAL 95 -10.425 -11.679 17.854 809 HA VAL 95 HA VAL 95 -13.091 -11.148 19.117 810 HB VAL 95 HB VAL 95 -11.788 -10.655 21.212 811 HG11 VAL 95 1HG1 VAL 95 -11.394 -13.473 20.117 812 HG12 VAL 95 2HG1 VAL 95 -11.422 -12.995 21.827 813 HG13 VAL 95 3HG1 VAL 95 -12.889 -12.846 20.838 814 HG21 VAL 95 3HG2 VAL 95 -9.447 -11.940 19.726 815 HG22 VAL 95 1HG2 VAL 95 -9.581 -10.206 20.114 816 HG23 VAL 95 2HG2 VAL 95 -9.471 -11.401 21.419 817 H ASN 96 H ASN 96 -11.134 -9.841 16.969 818 HA ASN 96 HA ASN 96 -11.659 -7.059 17.957 819 HB2 ASN 96 1HB ASN 96 -9.247 -8.167 16.486 820 HB3 ASN 96 2HB ASN 96 -9.660 -6.446 16.483 821 HD21 ASN 96 2HD2 ASN 96 -8.197 -8.996 18.222 822 HD22 ASN 96 1HD2 ASN 96 -7.783 -8.046 19.637 823 HA PRO 97 HA PRO 97 -13.732 -8.192 14.005 824 HB2 PRO 97 1HB PRO 97 -16.119 -6.902 14.370 825 HB3 PRO 97 2HB PRO 97 -15.769 -8.522 15.055 826 HG2 PRO 97 1HG PRO 97 -15.524 -5.830 16.388 827 HG3 PRO 97 2HG PRO 97 -16.392 -7.294 16.957 828 HD2 PRO 97 1HD PRO 97 -13.914 -6.741 17.834 829 HD3 PRO 97 2HD PRO 97 -14.383 -8.433 17.436 830 H GLN 98 H GLN 98 -13.119 -5.095 15.520 831 HA GLN 98 HA GLN 98 -13.857 -3.403 13.331 832 HB2 GLN 98 1HB GLN 98 -12.603 -3.133 15.899 833 HB3 GLN 98 2HB GLN 98 -11.499 -2.438 14.710 834 HG2 GLN 98 1HG GLN 98 -14.376 -1.632 15.208 835 HG3 GLN 98 2HG GLN 98 -12.911 -0.705 15.583 836 HE21 GLN 98 2HE2 GLN 98 -15.385 -0.423 13.706 837 HE22 GLN 98 1HE2 GLN 98 -14.657 0.113 12.205 838 H VAL 99 H VAL 99 -10.750 -4.910 14.342 839 HA VAL 99 HA VAL 99 -9.513 -3.952 11.924 840 HB VAL 99 HB VAL 99 -8.357 -4.341 14.217 841 HG11 VAL 99 1HG1 VAL 99 -7.329 -6.468 14.607 842 HG12 VAL 99 2HG1 VAL 99 -9.046 -6.783 14.331 843 HG13 VAL 99 3HG1 VAL 99 -7.872 -7.107 13.043 844 HG21 VAL 99 3HG2 VAL 99 -7.004 -5.262 11.647 845 HG22 VAL 99 1HG2 VAL 99 -7.232 -3.571 12.156 846 HG23 VAL 99 2HG2 VAL 99 -6.194 -4.651 13.106 847 H MET 100 H MET 100 -11.146 -6.930 12.892 848 HA MET 100 HA MET 100 -10.098 -8.621 10.865 849 HB2 MET 100 1HB MET 100 -11.512 -9.350 12.759 850 HB3 MET 100 2HB MET 100 -12.907 -8.562 12.026 851 HG2 MET 100 1HG MET 100 -11.427 -10.579 10.392 852 HG3 MET 100 2HG MET 100 -12.423 -11.161 11.741 853 HE1 MET 100 3HE MET 100 -12.381 -10.360 8.077 854 HE2 MET 100 1HE MET 100 -12.971 -11.945 8.635 855 HE3 MET 100 2HE MET 100 -14.060 -10.849 7.753 856 H ALA 101 H ALA 101 -12.831 -6.298 10.793 857 HA ALA 101 HA ALA 101 -13.549 -6.864 8.070 858 HB1 ALA 101 3HB ALA 101 -14.668 -4.620 8.213 859 HB2 ALA 101 1HB ALA 101 -15.083 -5.715 9.554 860 HB3 ALA 101 2HB ALA 101 -13.916 -4.400 9.814 861 H ALA 102 H ALA 102 -10.991 -4.942 9.544 862 HA ALA 102 HA ALA 102 -10.421 -3.430 7.123 863 HB1 ALA 102 3HB ALA 102 -9.942 -2.629 9.496 864 HB2 ALA 102 1HB ALA 102 -8.630 -3.831 9.559 865 HB3 ALA 102 2HB ALA 102 -8.573 -2.515 8.372 866 H VAL 103 H VAL 103 -9.395 -6.487 8.629 867 HA VAL 103 HA VAL 103 -7.098 -6.957 6.957 868 HB VAL 103 HB VAL 103 -9.033 -8.971 8.241 869 HG11 VAL 103 1HG1 VAL 103 -7.875 -10.072 6.418 870 HG12 VAL 103 2HG1 VAL 103 -6.321 -9.406 6.955 871 HG13 VAL 103 3HG1 VAL 103 -7.163 -10.612 7.948 872 HG21 VAL 103 3HG2 VAL 103 -7.856 -7.599 9.905 873 HG22 VAL 103 1HG2 VAL 103 -7.254 -9.256 9.944 874 HG23 VAL 103 2HG2 VAL 103 -6.297 -7.979 9.154 875 H ALA 104 H ALA 104 -10.556 -7.852 6.701 876 HA ALA 104 HA ALA 104 -10.337 -9.155 4.184 877 HB1 ALA 104 3HB ALA 104 -12.298 -9.359 5.672 878 HB2 ALA 104 1HB ALA 104 -12.699 -7.646 5.398 879 HB3 ALA 104 2HB ALA 104 -12.784 -8.806 4.050 880 H GLN 105 H GLN 105 -11.050 -5.727 5.021 881 HA GLN 105 HA GLN 105 -11.385 -4.861 2.330 882 HB2 GLN 105 1HB GLN 105 -10.619 -3.500 4.909 883 HB3 GLN 105 2HB GLN 105 -10.425 -2.641 3.371 884 HG2 GLN 105 1HG GLN 105 -12.855 -3.230 2.882 885 HG3 GLN 105 2HG GLN 105 -12.980 -3.694 4.586 886 HE21 GLN 105 2HE2 GLN 105 -13.742 -2.123 5.849 887 HE22 GLN 105 1HE2 GLN 105 -13.515 -0.403 5.590 888 H THR 106 H THR 106 -8.390 -5.198 4.321 889 HA THR 106 HA THR 106 -6.764 -3.887 2.346 890 HB THR 106 HB THR 106 -5.802 -6.004 4.316 891 HG1 THR 106 HG1 THR 106 -7.027 -4.364 5.373 892 HG21 THR 106 1HG2 THR 106 -4.490 -3.540 3.100 893 HG22 THR 106 2HG2 THR 106 -4.137 -5.221 2.649 894 HG23 THR 106 3HG2 THR 106 -3.743 -4.635 4.278 895 H GLU 107 H GLU 107 -7.770 -7.294 2.871 896 HA GLU 107 HA GLU 107 -6.083 -8.418 0.849 897 HB2 GLU 107 1HB GLU 107 -8.762 -9.242 2.000 898 HB3 GLU 107 2HB GLU 107 -7.970 -10.162 0.726 899 HG2 GLU 107 1HG GLU 107 -5.972 -10.397 2.192 900 HG3 GLU 107 2HG GLU 107 -6.900 -9.646 3.499 901 H GLU 108 H GLU 108 -9.345 -6.926 0.683 902 HA GLU 108 HA GLU 108 -9.692 -7.531 -2.130 903 HB2 GLU 108 1HB GLU 108 -10.978 -5.493 -0.289 904 HB3 GLU 108 2HB GLU 108 -11.448 -5.722 -1.977 905 HG2 GLU 108 1HG GLU 108 -12.026 -8.075 -1.498 906 HG3 GLU 108 2HG GLU 108 -11.584 -7.831 0.198 907 H ILE 109 H ILE 109 -8.470 -4.672 -0.346 908 HA ILE 109 HA ILE 109 -8.211 -2.995 -2.662 909 HB ILE 109 HB ILE 109 -6.774 -2.962 0.034 910 HG12 ILE 109 1HG1 ILE 109 -8.833 -1.003 -1.038 911 HG13 ILE 109 2HG1 ILE 109 -9.332 -2.500 -0.263 912 HG21 ILE 109 1HG2 ILE 109 -6.095 -0.598 -0.569 913 HG22 ILE 109 2HG2 ILE 109 -5.303 -1.817 -1.581 914 HG23 ILE 109 3HG2 ILE 109 -6.678 -0.886 -2.225 915 HD11 ILE 109 3HD1 ILE 109 -9.417 -0.808 1.406 916 HD12 ILE 109 1HD1 ILE 109 -7.995 -1.807 1.775 917 HD13 ILE 109 2HD1 ILE 109 -7.793 -0.217 0.999 918 H LEU 110 H LEU 110 -6.021 -5.383 -1.142 919 HA LEU 110 HA LEU 110 -3.758 -4.851 -2.805 920 HB2 LEU 110 1HB LEU 110 -4.734 -7.063 -1.092 921 HB3 LEU 110 2HB LEU 110 -3.645 -7.550 -2.382 922 HG LEU 110 HG LEU 110 -1.866 -6.241 -1.552 923 HD11 LEU 110 1HD1 LEU 110 -3.831 -4.940 0.350 924 HD12 LEU 110 2HD1 LEU 110 -2.846 -4.156 -0.898 925 HD13 LEU 110 3HD1 LEU 110 -2.078 -4.845 0.538 926 HD21 LEU 110 3HD2 LEU 110 -3.355 -7.558 0.744 927 HD22 LEU 110 1HD2 LEU 110 -1.619 -7.167 0.744 928 HD23 LEU 110 2HD2 LEU 110 -2.261 -8.359 -0.405 929 H LYS 111 H LYS 111 -6.679 -6.844 -3.367 930 HA LYS 111 HA LYS 111 -5.646 -7.901 -5.864 931 HB2 LYS 111 1HB LYS 111 -8.407 -7.759 -4.679 932 HB3 LYS 111 2HB LYS 111 -8.013 -8.598 -6.190 933 HG2 LYS 111 1HG LYS 111 -6.551 -10.125 -5.060 934 HG3 LYS 111 2HG LYS 111 -6.646 -9.192 -3.556 935 HD2 LYS 111 1HD LYS 111 -9.061 -9.586 -3.499 936 HD3 LYS 111 2HD LYS 111 -8.883 -10.648 -4.916 937 HE2 LYS 111 1HE LYS 111 -8.755 -12.199 -3.172 938 HE3 LYS 111 2HE LYS 111 -7.041 -11.821 -3.427 939 HZ1 LYS 111 3HZ LYS 111 -7.360 -11.606 -1.151 940 HZ2 LYS 111 1HZ LYS 111 -8.831 -10.863 -1.297 941 HZ3 LYS 111 2HZ LYS 111 -7.452 -10.040 -1.671 942 H SER 112 H SER 112 -7.210 -4.956 -4.897 943 HA SER 112 HA SER 112 -8.026 -4.224 -7.627 944 HB2 SER 112 1HB SER 112 -9.208 -3.474 -5.521 945 HB3 SER 112 2HB SER 112 -7.794 -2.477 -5.151 946 HG SER 112 HG SER 112 -8.168 -1.645 -7.409 947 H ASN 113 H ASN 113 -5.207 -4.140 -5.675 948 HA ASN 113 HA ASN 113 -3.925 -1.902 -7.098 949 HB2 ASN 113 1HB ASN 113 -2.783 -4.019 -5.211 950 HB3 ASN 113 2HB ASN 113 -1.877 -2.654 -5.863 951 HD21 ASN 113 2HD2 ASN 113 -4.097 -0.751 -5.628 952 HD22 ASN 113 1HD2 ASN 113 -4.216 -0.407 -3.922 953 H SER 114 H SER 114 -1.635 -2.556 -8.055 954 HA SER 114 HA SER 114 -2.195 -4.165 -10.338 955 HB2 SER 114 1HB SER 114 0.501 -3.233 -9.296 956 HB3 SER 114 2HB SER 114 0.103 -3.696 -10.965 957 HG SER 114 HG SER 114 -1.365 -1.928 -11.002 958 H GLN 115 H GLN 115 -2.754 -6.267 -9.725 959 HA GLN 115 HA GLN 115 -0.829 -7.997 -8.345 960 HB2 GLN 115 1HB GLN 115 -3.300 -8.630 -10.015 961 HB3 GLN 115 2HB GLN 115 -2.364 -9.813 -9.097 962 HG2 GLN 115 1HG GLN 115 -2.960 -8.600 -7.005 963 HG3 GLN 115 2HG GLN 115 -3.990 -7.523 -7.970 964 HE21 GLN 115 2HE2 GLN 115 -5.999 -8.186 -8.553 965 HE22 GLN 115 1HE2 GLN 115 -6.629 -9.790 -8.245 966 H THR 116 H THR 116 0.922 -7.155 -9.924 967 HA THR 116 HA THR 116 0.854 -7.666 -12.670 968 HB THR 116 HB THR 116 3.346 -7.892 -10.932 969 HG1 THR 116 HG1 THR 116 3.401 -5.567 -11.373 970 HG21 THR 116 1HG2 THR 116 3.684 -8.436 -13.324 971 HG22 THR 116 2HG2 THR 116 4.448 -6.887 -12.910 972 HG23 THR 116 3HG2 THR 116 2.899 -6.905 -13.784 973 H ASP 117 H ASP 117 0.619 -9.431 -13.821 974 HA ASP 117 HA ASP 117 1.053 -12.035 -12.585 975 HB2 ASP 117 1HB ASP 117 0.079 -12.933 -14.645 976 HB3 ASP 117 2HB ASP 117 -0.944 -11.680 -13.929 977 H LEU 118 H LEU 118 3.237 -11.913 -12.230 978 HA LEU 118 HA LEU 118 5.215 -11.507 -14.234 979 HB2 LEU 118 1HB LEU 118 5.162 -12.912 -11.568 980 HB3 LEU 118 2HB LEU 118 6.599 -12.775 -12.544 981 HG LEU 118 HG LEU 118 4.990 -10.420 -11.506 982 HD11 LEU 118 1HD1 LEU 118 7.637 -11.563 -10.526 983 HD12 LEU 118 2HD1 LEU 118 6.069 -11.681 -9.686 984 HD13 LEU 118 3HD1 LEU 118 6.840 -10.099 -9.916 985 HD21 LEU 118 3HD2 LEU 118 7.020 -9.095 -12.131 986 HD22 LEU 118 1HD2 LEU 118 6.188 -9.800 -13.527 987 HD23 LEU 118 2HD2 LEU 118 7.688 -10.543 -12.921 988 H GLU 119 H GLU 119 3.134 -13.805 -14.259 989 HA GLU 119 HA GLU 119 2.721 -15.605 -15.572 990 HB2 GLU 119 1HB GLU 119 4.300 -14.076 -17.016 991 HB3 GLU 119 2HB GLU 119 5.415 -15.434 -16.869 992 HG2 GLU 119 1HG GLU 119 2.591 -15.542 -18.001 993 HG3 GLU 119 2HG GLU 119 4.087 -15.530 -18.945 994 H HIS 120 H HIS 120 6.080 -15.861 -14.394 995 HA HIS 120 HA HIS 120 6.285 -18.644 -14.881 996 HB2 HIS 120 1HB HIS 120 8.369 -18.549 -13.588 997 HB3 HIS 120 2HB HIS 120 8.229 -17.240 -14.764 998 HD1 HIS 120 HD1 HIS 120 7.923 -14.764 -13.835 999 HD2 HIS 120 HD2 HIS 120 8.513 -17.720 -10.905 1000 HE1 HIS 120 HE1 HIS 120 8.533 -13.562 -11.669 1001 H HIS 121 H HIS 121 3.966 -18.827 -13.710 1002 HA HIS 121 HA HIS 121 4.566 -20.672 -11.499 1003 HB2 HIS 121 1HB HIS 121 2.491 -19.672 -10.250 1004 HB3 HIS 121 2HB HIS 121 4.085 -18.946 -10.030 1005 HD1 HIS 121 HD1 HIS 121 3.733 -16.477 -9.758 1006 HD2 HIS 121 HD2 HIS 121 1.353 -18.073 -12.827 1007 HE1 HIS 121 HE1 HIS 121 2.480 -14.526 -10.823 1008 H HIS 122 H HIS 122 3.796 -22.476 -12.469 1009 HA HIS 122 HA HIS 122 1.057 -22.314 -13.680 1010 HB2 HIS 122 1HB HIS 122 3.305 -24.219 -14.435 1011 HB3 HIS 122 2HB HIS 122 1.721 -24.087 -15.209 1012 HD1 HIS 122 HD1 HIS 122 1.269 -21.460 -16.253 1013 HD2 HIS 122 HD2 HIS 122 5.227 -22.758 -15.731 1014 HE1 HIS 122 HE1 HIS 122 2.738 -19.973 -17.690 1015 H HIS 123 H HIS 123 0.352 -22.642 -11.412 1016 HA HIS 123 HA HIS 123 1.032 -25.091 -10.006 1017 HB2 HIS 123 1HB HIS 123 -1.365 -23.221 -9.689 1018 HB3 HIS 123 2HB HIS 123 -0.914 -24.499 -8.559 1019 HD1 HIS 123 HD1 HIS 123 -0.984 -21.127 -8.322 1020 HD2 HIS 123 HD2 HIS 123 2.271 -23.772 -8.151 1021 HE1 HIS 123 HE1 HIS 123 0.874 -19.937 -7.042 1022 H HIS 124 H HIS 124 0.558 -26.987 -11.023 1023 HA HIS 124 HA HIS 124 -0.580 -28.560 -12.271 1024 HB2 HIS 124 1HB HIS 124 -1.482 -28.702 -9.903 1025 HB3 HIS 124 2HB HIS 124 -2.903 -27.821 -10.471 1026 HD1 HIS 124 HD1 HIS 124 -3.928 -29.109 -12.892 1027 HD2 HIS 124 HD2 HIS 124 -1.954 -31.389 -9.963 1028 HE1 HIS 124 HE1 HIS 124 -4.631 -31.533 -13.232 1029 H HIS 125 H HIS 125 -0.615 -27.359 -14.311 1030 HA HIS 125 HA HIS 125 -3.004 -25.917 -15.073 1031 HB2 HIS 125 1HB HIS 125 -2.136 -25.835 -17.235 1032 HB3 HIS 125 2HB HIS 125 -0.676 -25.861 -16.242 1033 HD1 HIS 125 HD1 HIS 125 -2.942 -28.380 -18.090 1034 HD2 HIS 125 HD2 HIS 125 1.102 -27.776 -17.141 1035 HE1 HIS 125 HE1 HIS 125 -1.611 -30.230 -19.257 Start of MODEL 37 1 H21 MYR 1 1H2 MYR 1 1.191 -0.092 -1.042 2 H22 MYR 1 2H2 MYR 1 2.381 -0.512 0.181 3 H31 MYR 1 1H3 MYR 1 -0.395 -1.823 -0.003 4 H32 MYR 1 2H3 MYR 1 1.020 -2.472 -0.825 5 H41 MYR 1 1H4 MYR 1 2.181 -2.885 1.310 6 H42 MYR 1 2H4 MYR 1 0.924 -2.054 2.227 7 H51 MYR 1 1H5 MYR 1 -0.720 -3.776 1.764 8 H52 MYR 1 2H5 MYR 1 0.254 -4.464 0.485 9 H61 MYR 1 1H6 MYR 1 0.483 -6.011 2.267 10 H62 MYR 1 2H6 MYR 1 2.003 -5.151 2.213 11 H71 MYR 1 1H7 MYR 1 1.373 -5.448 4.545 12 H72 MYR 1 2H7 MYR 1 1.250 -3.733 4.193 13 H81 MYR 1 1H8 MYR 1 -1.172 -3.823 4.111 14 H82 MYR 1 2H8 MYR 1 -1.201 -5.576 4.033 15 H91 MYR 1 1H9 MYR 1 0.103 -4.449 6.506 16 H92 MYR 1 2H9 MYR 1 -0.915 -5.867 6.301 17 H101 MYR 1 1H10 MYR 1 -2.849 -4.017 5.833 18 H102 MYR 1 2H10 MYR 1 -1.723 -2.939 6.628 19 H111 MYR 1 1H11 MYR 1 -1.703 -4.677 8.601 20 H112 MYR 1 2H11 MYR 1 -3.098 -3.630 8.394 21 H121 MYR 1 1H12 MYR 1 -4.215 -5.562 7.036 22 H122 MYR 1 2H12 MYR 1 -2.883 -6.578 7.564 23 H131 MYR 1 1H13 MYR 1 -4.588 -7.058 9.130 24 H132 MYR 1 2H13 MYR 1 -3.554 -5.949 10.014 25 H141 MYR 1 1H14 MYR 1 -5.998 -5.409 10.304 26 H142 MYR 1 2H14 MYR 1 -5.153 -4.063 9.524 27 H143 MYR 1 3H14 MYR 1 -6.156 -5.161 8.557 28 H GLY 2 H GLY 2 2.291 0.488 2.044 29 HA2 GLY 2 1HA GLY 2 0.061 1.285 3.573 30 HA3 GLY 2 2HA GLY 2 1.708 1.907 3.751 31 H GLN 3 H GLN 3 1.862 3.034 1.054 32 HA GLN 3 HA GLN 3 0.662 5.584 1.646 33 HB2 GLN 3 1HB GLN 3 1.516 6.290 -0.511 34 HB3 GLN 3 2HB GLN 3 2.728 5.365 0.374 35 HG2 GLN 3 1HG GLN 3 2.123 3.358 -1.032 36 HG3 GLN 3 2HG GLN 3 1.092 4.423 -2.000 37 HE21 GLN 3 2HE2 GLN 3 4.416 3.768 -0.966 38 HE22 GLN 3 1HE2 GLN 3 5.161 4.590 -2.322 39 H GLU 4 H GLU 4 -0.395 2.860 -0.439 40 HA GLU 4 HA GLU 4 -2.647 4.361 -1.532 41 HB2 GLU 4 1HB GLU 4 -2.079 2.575 -2.894 42 HB3 GLU 4 2HB GLU 4 -1.669 1.528 -1.545 43 HG2 GLU 4 1HG GLU 4 -3.624 0.665 -2.701 44 HG3 GLU 4 2HG GLU 4 -4.054 1.140 -1.059 45 H LEU 5 H LEU 5 -2.098 2.037 1.133 46 HA LEU 5 HA LEU 5 -4.813 1.797 1.886 47 HB2 LEU 5 1HB LEU 5 -2.264 1.584 3.487 48 HB3 LEU 5 2HB LEU 5 -3.841 1.159 4.127 49 HG LEU 5 HG LEU 5 -2.557 -0.186 1.735 50 HD11 LEU 5 1HD1 LEU 5 -2.719 -1.102 4.631 51 HD12 LEU 5 2HD1 LEU 5 -1.249 -0.551 3.788 52 HD13 LEU 5 3HD1 LEU 5 -2.066 -2.032 3.264 53 HD21 LEU 5 3HD2 LEU 5 -4.939 -1.004 3.433 54 HD22 LEU 5 1HD2 LEU 5 -4.232 -1.931 2.092 55 HD23 LEU 5 2HD2 LEU 5 -5.004 -0.370 1.776 56 H SER 6 H SER 6 -2.370 4.190 3.079 57 HA SER 6 HA SER 6 -4.076 5.588 4.813 58 HB2 SER 6 1HB SER 6 -2.518 7.391 4.655 59 HB3 SER 6 2HB SER 6 -1.582 5.898 4.490 60 HG SER 6 HG SER 6 -1.792 6.272 2.136 61 H GLN 7 H GLN 7 -4.156 5.644 1.294 62 HA GLN 7 HA GLN 7 -5.774 8.148 1.344 63 HB2 GLN 7 1HB GLN 7 -4.615 6.490 -0.924 64 HB3 GLN 7 2HB GLN 7 -5.577 7.960 -1.141 65 HG2 GLN 7 1HG GLN 7 -3.890 9.277 0.050 66 HG3 GLN 7 2HG GLN 7 -2.935 7.821 0.350 67 HE21 GLN 7 2HE2 GLN 7 -1.946 6.740 -1.419 68 HE22 GLN 7 1HE2 GLN 7 -1.594 7.616 -2.896 69 H HIS 8 H HIS 8 -6.091 4.754 1.349 70 HA HIS 8 HA HIS 8 -8.618 4.642 -0.114 71 HB2 HIS 8 1HB HIS 8 -6.791 2.812 0.245 72 HB3 HIS 8 2HB HIS 8 -7.569 2.511 1.777 73 HD1 HIS 8 HD1 HIS 8 -7.804 1.930 -1.894 74 HD2 HIS 8 HD2 HIS 8 -10.277 1.445 1.477 75 HE1 HIS 8 HE1 HIS 8 -9.774 0.444 -2.595 76 H GLU 9 H GLU 9 -9.635 6.408 1.191 77 HA GLU 9 HA GLU 9 -9.900 6.460 3.917 78 HB2 GLU 9 1HB GLU 9 -11.707 7.371 1.722 79 HB3 GLU 9 2HB GLU 9 -12.259 7.490 3.397 80 HG2 GLU 9 1HG GLU 9 -9.551 8.578 2.631 81 HG3 GLU 9 2HG GLU 9 -11.019 9.511 2.295 82 H ARG 10 H ARG 10 -11.844 4.296 1.847 83 HA ARG 10 HA ARG 10 -13.750 3.616 3.889 84 HB2 ARG 10 1HB ARG 10 -12.951 2.611 1.255 85 HB3 ARG 10 2HB ARG 10 -13.377 1.306 2.363 86 HG2 ARG 10 1HG ARG 10 -15.358 1.909 1.175 87 HG3 ARG 10 2HG ARG 10 -15.539 2.471 2.846 88 HD2 ARG 10 1HD ARG 10 -14.942 4.757 2.170 89 HD3 ARG 10 2HD ARG 10 -14.682 4.210 0.499 90 HE ARG 10 HE ARG 10 -17.293 3.449 1.222 91 HH11 ARG 10 1HH1 ARG 10 -15.544 6.486 0.779 92 HH12 ARG 10 2HH1 ARG 10 -16.983 7.352 0.312 93 HH21 ARG 10 1HH2 ARG 10 -19.081 4.619 0.614 94 HH22 ARG 10 2HH2 ARG 10 -18.947 6.312 0.229 95 H TYR 11 H TYR 11 -10.467 2.479 3.283 96 HA TYR 11 HA TYR 11 -10.648 0.329 5.289 97 HB2 TYR 11 1HB TYR 11 -9.262 -0.067 3.369 98 HB3 TYR 11 2HB TYR 11 -8.457 1.490 3.545 99 HD1 TYR 11 HD2 TYR 11 -8.838 -1.842 5.230 100 HD2 TYR 11 HD1 TYR 11 -6.459 1.712 4.763 101 HE1 TYR 11 HE2 TYR 11 -6.993 -2.885 6.541 102 HE2 TYR 11 HE1 TYR 11 -4.625 0.637 6.059 103 HH TYR 11 HH TYR 11 -3.899 -1.237 7.128 104 H VAL 12 H VAL 12 -9.314 3.603 4.860 105 HA VAL 12 HA VAL 12 -7.966 3.821 7.343 106 HB VAL 12 HB VAL 12 -9.454 5.989 5.806 107 HG11 VAL 12 1HG1 VAL 12 -7.189 6.358 7.788 108 HG12 VAL 12 2HG1 VAL 12 -8.126 7.619 6.964 109 HG13 VAL 12 3HG1 VAL 12 -8.894 6.603 8.193 110 HG21 VAL 12 3HG2 VAL 12 -6.500 5.242 5.770 111 HG22 VAL 12 1HG2 VAL 12 -7.656 4.842 4.494 112 HG23 VAL 12 2HG2 VAL 12 -7.279 6.535 4.829 113 H GLU 13 H GLU 13 -11.483 4.291 6.582 114 HA GLU 13 HA GLU 13 -12.252 5.301 9.108 115 HB2 GLU 13 1HB GLU 13 -13.725 3.434 7.225 116 HB3 GLU 13 2HB GLU 13 -14.456 4.107 8.678 117 HG2 GLU 13 1HG GLU 13 -13.394 5.762 6.368 118 HG3 GLU 13 2HG GLU 13 -15.080 5.315 6.595 119 H GLN 14 H GLN 14 -11.877 1.856 8.137 120 HA GLN 14 HA GLN 14 -12.694 0.900 10.743 121 HB2 GLN 14 1HB GLN 14 -11.049 -0.438 8.561 122 HB3 GLN 14 2HB GLN 14 -11.659 -1.242 10.013 123 HG2 GLN 14 1HG GLN 14 -13.293 -0.037 7.762 124 HG3 GLN 14 2HG GLN 14 -13.147 -1.746 8.200 125 HE21 GLN 14 2HE2 GLN 14 -13.588 -1.912 10.823 126 HE22 GLN 14 1HE2 GLN 14 -15.122 -1.208 11.272 127 H LEU 15 H LEU 15 -9.587 1.833 9.286 128 HA LEU 15 HA LEU 15 -8.074 0.949 11.581 129 HB2 LEU 15 1HB LEU 15 -7.476 2.861 9.334 130 HB3 LEU 15 2HB LEU 15 -6.399 2.681 10.702 131 HG LEU 15 HG LEU 15 -7.024 0.633 8.581 132 HD11 LEU 15 1HD1 LEU 15 -4.523 0.784 8.373 133 HD12 LEU 15 2HD1 LEU 15 -4.523 2.048 9.619 134 HD13 LEU 15 3HD1 LEU 15 -5.345 2.325 8.062 135 HD21 LEU 15 3HD2 LEU 15 -5.451 -0.890 9.808 136 HD22 LEU 15 1HD2 LEU 15 -6.987 -0.652 10.657 137 HD23 LEU 15 2HD2 LEU 15 -5.528 0.207 11.211 138 H LYS 16 H LYS 16 -10.045 3.828 11.007 139 HA LYS 16 HA LYS 16 -8.742 5.456 13.015 140 HB2 LYS 16 1HB LYS 16 -11.623 5.441 12.046 141 HB3 LYS 16 2HB LYS 16 -10.982 6.623 13.182 142 HG2 LYS 16 1HG LYS 16 -9.461 7.521 11.510 143 HG3 LYS 16 2HG LYS 16 -9.875 6.227 10.392 144 HD2 LYS 16 1HD LYS 16 -12.291 7.070 10.515 145 HD3 LYS 16 2HD LYS 16 -11.628 8.529 11.266 146 HE2 LYS 16 1HE LYS 16 -10.157 8.858 9.269 147 HE3 LYS 16 2HE LYS 16 -10.819 7.385 8.548 148 HZ1 LYS 16 3HZ LYS 16 -11.862 9.306 7.600 149 HZ2 LYS 16 1HZ LYS 16 -12.356 9.857 9.077 150 HZ3 LYS 16 2HZ LYS 16 -12.993 8.466 8.459 151 H GLN 17 H GLN 17 -11.272 2.974 13.068 152 HA GLN 17 HA GLN 17 -11.755 3.181 15.910 153 HB2 GLN 17 1HB GLN 17 -12.106 0.783 14.066 154 HB3 GLN 17 2HB GLN 17 -12.842 0.995 15.654 155 HG2 GLN 17 1HG GLN 17 -14.123 2.934 14.787 156 HG3 GLN 17 2HG GLN 17 -13.406 2.682 13.189 157 HE21 GLN 17 2HE2 GLN 17 -16.204 2.643 13.849 158 HE22 GLN 17 1HE2 GLN 17 -16.789 1.046 13.457 159 H ALA 18 H ALA 18 -9.739 1.022 13.865 160 HA ALA 18 HA ALA 18 -8.716 -0.537 15.972 161 HB1 ALA 18 3HB ALA 18 -7.067 -1.308 14.389 162 HB2 ALA 18 1HB ALA 18 -8.623 -1.081 13.547 163 HB3 ALA 18 2HB ALA 18 -7.318 0.122 13.364 164 H LEU 19 H LEU 19 -7.227 2.441 14.533 165 HA LEU 19 HA LEU 19 -4.876 2.319 16.204 166 HB2 LEU 19 1HB LEU 19 -6.187 4.404 14.486 167 HB3 LEU 19 2HB LEU 19 -5.133 4.971 15.767 168 HG LEU 19 HG LEU 19 -3.394 3.291 14.730 169 HD11 LEU 19 1HD1 LEU 19 -3.506 3.324 12.208 170 HD12 LEU 19 2HD1 LEU 19 -5.189 3.887 12.347 171 HD13 LEU 19 3HD1 LEU 19 -4.744 2.289 12.976 172 HD21 LEU 19 3HD2 LEU 19 -2.559 5.160 13.278 173 HD22 LEU 19 1HD2 LEU 19 -3.025 5.683 14.916 174 HD23 LEU 19 2HD2 LEU 19 -4.107 5.995 13.540 175 H LYS 20 H LYS 20 -8.116 3.803 16.582 176 HA LYS 20 HA LYS 20 -7.466 5.238 18.973 177 HB2 LYS 20 1HB LYS 20 -9.456 5.735 17.608 178 HB3 LYS 20 2HB LYS 20 -10.129 4.149 17.983 179 HG2 LYS 20 1HG LYS 20 -11.267 5.772 19.324 180 HG3 LYS 20 2HG LYS 20 -10.252 4.801 20.396 181 HD2 LYS 20 1HD LYS 20 -8.521 6.621 20.340 182 HD3 LYS 20 2HD LYS 20 -9.634 7.602 19.365 183 HE2 LYS 20 1HE LYS 20 -10.156 6.533 22.175 184 HE3 LYS 20 2HE LYS 20 -9.722 8.203 21.768 185 HZ1 LYS 20 3HZ LYS 20 -12.102 7.961 22.086 186 HZ2 LYS 20 1HZ LYS 20 -12.198 6.817 20.903 187 HZ3 LYS 20 2HZ LYS 20 -11.796 8.370 20.518 188 H THR 21 H THR 21 -8.917 1.951 18.530 189 HA THR 21 HA THR 21 -9.142 1.593 21.392 190 HB THR 21 HB THR 21 -10.495 0.299 19.674 191 HG1 THR 21 HG1 THR 21 -9.041 -0.932 21.769 192 HG21 THR 21 1HG2 THR 21 -7.918 -1.306 19.420 193 HG22 THR 21 2HG2 THR 21 -8.727 -0.376 18.136 194 HG23 THR 21 3HG2 THR 21 -9.513 -1.799 18.827 195 H ARG 22 H ARG 22 -6.470 1.384 19.206 196 HA ARG 22 HA ARG 22 -4.877 -0.412 20.855 197 HB2 ARG 22 1HB ARG 22 -4.668 0.433 18.306 198 HB3 ARG 22 2HB ARG 22 -3.639 1.629 19.067 199 HG2 ARG 22 1HG ARG 22 -2.134 -0.004 18.440 200 HG3 ARG 22 2HG ARG 22 -2.434 -0.422 20.138 201 HD2 ARG 22 1HD ARG 22 -4.266 -1.628 18.117 202 HD3 ARG 22 2HD ARG 22 -2.591 -2.190 18.080 203 HE ARG 22 HE ARG 22 -4.516 -2.497 20.323 204 HH11 ARG 22 1HH1 ARG 22 -1.335 -3.286 18.982 205 HH12 ARG 22 2HH1 ARG 22 -1.059 -4.525 20.191 206 HH21 ARG 22 1HH2 ARG 22 -4.044 -4.104 21.807 207 HH22 ARG 22 2HH2 ARG 22 -2.530 -4.988 21.691 208 H GLY 23 H GLY 23 -5.649 2.995 20.834 209 HA2 GLY 23 1HA GLY 23 -5.095 4.652 22.348 210 HA3 GLY 23 2HA GLY 23 -4.281 3.429 23.347 211 H VAL 24 H VAL 24 -3.287 3.398 20.097 212 HA VAL 24 HA VAL 24 -0.614 4.023 20.953 213 HB VAL 24 HB VAL 24 -1.113 2.216 19.331 214 HG11 VAL 24 1HG1 VAL 24 -1.666 4.371 17.249 215 HG12 VAL 24 2HG1 VAL 24 -1.729 2.605 17.037 216 HG13 VAL 24 3HG1 VAL 24 -2.930 3.420 18.052 217 HG21 VAL 24 3HG2 VAL 24 0.662 4.370 18.167 218 HG22 VAL 24 1HG2 VAL 24 1.130 3.198 19.422 219 HG23 VAL 24 2HG2 VAL 24 0.722 2.638 17.787 220 H LYS 25 H LYS 25 0.452 5.887 20.928 221 HA LYS 25 HA LYS 25 -0.916 8.225 19.693 222 HB2 LYS 25 1HB LYS 25 1.473 8.036 21.575 223 HB3 LYS 25 2HB LYS 25 0.706 9.538 21.035 224 HG2 LYS 25 1HG LYS 25 -1.384 8.892 22.177 225 HG3 LYS 25 2HG LYS 25 -0.649 7.355 22.670 226 HD2 LYS 25 1HD LYS 25 1.090 8.612 23.926 227 HD3 LYS 25 2HD LYS 25 0.252 10.127 23.519 228 HE2 LYS 25 1HE LYS 25 -1.784 9.312 24.663 229 HE3 LYS 25 2HE LYS 25 -0.972 7.777 25.032 230 HZ1 LYS 25 3HZ LYS 25 0.623 9.009 26.375 231 HZ2 LYS 25 1HZ LYS 25 -0.910 9.282 26.917 232 HZ3 LYS 25 2HZ LYS 25 -0.130 10.438 26.036 233 H VAL 26 H VAL 26 -0.448 7.581 17.550 234 HA VAL 26 HA VAL 26 2.250 8.413 16.612 235 HB VAL 26 HB VAL 26 0.913 5.704 15.990 236 HG11 VAL 26 1HG1 VAL 26 2.772 5.344 14.350 237 HG12 VAL 26 2HG1 VAL 26 1.645 6.611 13.862 238 HG13 VAL 26 3HG1 VAL 26 3.233 7.048 14.538 239 HG21 VAL 26 3HG2 VAL 26 3.089 4.738 16.657 240 HG22 VAL 26 1HG2 VAL 26 3.728 6.366 16.977 241 HG23 VAL 26 2HG2 VAL 26 2.416 5.713 17.975 242 H LYS 27 H LYS 27 1.984 9.534 14.640 243 HA LYS 27 HA LYS 27 -0.692 10.396 13.977 244 HB2 LYS 27 1HB LYS 27 1.409 11.723 13.540 245 HB3 LYS 27 2HB LYS 27 1.840 10.557 12.284 246 HG2 LYS 27 1HG LYS 27 -0.205 11.157 11.021 247 HG3 LYS 27 2HG LYS 27 -0.640 12.321 12.287 248 HD2 LYS 27 1HD LYS 27 1.453 13.572 11.842 249 HD3 LYS 27 2HD LYS 27 1.866 12.412 10.560 250 HE2 LYS 27 1HE LYS 27 -0.206 13.027 9.338 251 HE3 LYS 27 2HE LYS 27 -0.620 14.183 10.620 252 HZ1 LYS 27 3HZ LYS 27 1.791 14.338 8.891 253 HZ2 LYS 27 1HZ LYS 27 1.396 15.415 10.078 254 HZ3 LYS 27 2HZ LYS 27 0.442 15.276 8.740 255 H PHE 28 H PHE 28 -2.089 9.610 12.439 256 HA PHE 28 HA PHE 28 -2.129 6.934 11.712 257 HB2 PHE 28 1HB PHE 28 -3.650 9.263 11.311 258 HB3 PHE 28 2HB PHE 28 -3.236 8.795 9.663 259 HD1 PHE 28 HD2 PHE 28 -3.831 6.447 8.881 260 HD2 PHE 28 HD1 PHE 28 -5.356 8.191 12.495 261 HE1 PHE 28 HE2 PHE 28 -5.698 4.811 8.875 262 HE2 PHE 28 HE1 PHE 28 -7.229 6.583 12.488 263 HZ PHE 28 HZ PHE 28 -7.416 4.900 10.664 264 H ALA 29 H ALA 29 -0.978 9.578 9.548 265 HA ALA 29 HA ALA 29 -0.342 7.848 7.395 266 HB1 ALA 29 3HB ALA 29 0.922 10.520 8.154 267 HB2 ALA 29 1HB ALA 29 1.019 9.728 6.565 268 HB3 ALA 29 2HB ALA 29 -0.551 10.302 7.171 269 H ASP 30 H ASP 30 1.399 8.595 10.363 270 HA ASP 30 HA ASP 30 3.929 7.548 9.361 271 HB2 ASP 30 1HB ASP 30 3.452 9.357 11.214 272 HB3 ASP 30 2HB ASP 30 3.346 7.946 12.276 273 H LEU 31 H LEU 31 1.047 6.230 10.854 274 HA LEU 31 HA LEU 31 2.413 3.784 11.691 275 HB2 LEU 31 1HB LEU 31 0.080 4.812 12.501 276 HB3 LEU 31 2HB LEU 31 -0.530 3.775 11.187 277 HG LEU 31 HG LEU 31 1.302 2.855 13.467 278 HD11 LEU 31 1HD1 LEU 31 -0.912 3.544 14.284 279 HD12 LEU 31 2HD1 LEU 31 -0.604 1.808 14.482 280 HD13 LEU 31 3HD1 LEU 31 -1.658 2.371 13.168 281 HD21 LEU 31 3HD2 LEU 31 1.559 1.344 11.612 282 HD22 LEU 31 1HD2 LEU 31 -0.198 1.275 11.347 283 HD23 LEU 31 2HD2 LEU 31 0.521 0.549 12.804 284 H LEU 32 H LEU 32 0.097 4.766 9.187 285 HA LEU 32 HA LEU 32 0.195 2.480 7.563 286 HB2 LEU 32 1HB LEU 32 -0.196 5.394 7.034 287 HB3 LEU 32 2HB LEU 32 0.032 4.324 5.663 288 HG LEU 32 HG LEU 32 -2.279 4.744 6.044 289 HD11 LEU 32 1HD1 LEU 32 -3.142 2.630 5.793 290 HD12 LEU 32 2HD1 LEU 32 -1.977 1.909 6.914 291 HD13 LEU 32 3HD1 LEU 32 -1.446 2.444 5.302 292 HD21 LEU 32 3HD2 LEU 32 -2.097 3.426 8.672 293 HD22 LEU 32 1HD2 LEU 32 -3.534 4.073 7.829 294 HD23 LEU 32 2HD2 LEU 32 -2.251 5.166 8.364 295 H LYS 33 H LYS 33 2.560 5.076 7.764 296 HA LYS 33 HA LYS 33 4.203 4.579 5.546 297 HB2 LYS 33 1HB LYS 33 4.593 6.392 7.113 298 HB3 LYS 33 2HB LYS 33 4.860 5.247 8.415 299 HG2 LYS 33 1HG LYS 33 6.936 4.456 7.298 300 HG3 LYS 33 2HG LYS 33 6.695 5.710 6.059 301 HD2 LYS 33 1HD LYS 33 8.214 6.658 7.617 302 HD3 LYS 33 2HD LYS 33 6.645 7.386 8.023 303 HE2 LYS 33 1HE LYS 33 6.355 5.662 9.818 304 HE3 LYS 33 2HE LYS 33 7.958 5.013 9.428 305 HZ1 LYS 33 3HZ LYS 33 8.003 6.531 11.305 306 HZ2 LYS 33 1HZ LYS 33 7.380 7.752 10.399 307 HZ3 LYS 33 2HZ LYS 33 8.890 7.159 10.060 308 H PHE 34 H PHE 34 4.038 2.672 8.585 309 HA PHE 34 HA PHE 34 6.404 1.145 7.887 310 HB2 PHE 34 1HB PHE 34 4.269 0.906 9.990 311 HB3 PHE 34 2HB PHE 34 5.440 -0.383 9.740 312 HD1 PHE 34 HD1 PHE 34 5.056 3.163 10.719 313 HD2 PHE 34 HD2 PHE 34 7.757 -0.157 10.362 314 HE1 PHE 34 HE1 PHE 34 6.727 4.397 12.083 315 HE2 PHE 34 HE2 PHE 34 9.453 1.068 11.711 316 HZ PHE 34 HZ PHE 34 8.941 3.355 12.576 317 H PHE 35 H PHE 35 2.985 0.832 7.077 318 HA PHE 35 HA PHE 35 3.268 -1.944 6.226 319 HB2 PHE 35 1HB PHE 35 1.249 0.141 5.385 320 HB3 PHE 35 2HB PHE 35 1.154 -1.587 5.036 321 HD1 PHE 35 HD2 PHE 35 1.769 -2.939 7.510 322 HD2 PHE 35 HD1 PHE 35 -0.347 0.727 6.890 323 HE1 PHE 35 HE2 PHE 35 0.576 -3.275 9.657 324 HE2 PHE 35 HE1 PHE 35 -1.543 0.437 9.056 325 HZ PHE 35 HZ PHE 35 -1.084 -1.569 10.449 326 H ASP 36 H ASP 36 4.035 1.192 4.894 327 HA ASP 36 HA ASP 36 4.234 0.301 2.129 328 HB2 ASP 36 1HB ASP 36 4.155 2.738 3.374 329 HB3 ASP 36 2HB ASP 36 5.891 2.587 3.061 330 H PHE 37 H PHE 37 6.300 0.365 4.978 331 HA PHE 37 HA PHE 37 8.779 -0.128 3.617 332 HB2 PHE 37 1HB PHE 37 8.516 0.714 5.961 333 HB3 PHE 37 2HB PHE 37 7.984 -0.898 6.446 334 HD1 PHE 37 HD1 PHE 37 10.853 0.810 4.706 335 HD2 PHE 37 HD2 PHE 37 9.568 -2.418 7.242 336 HE1 PHE 37 HE1 PHE 37 13.228 0.147 5.057 337 HE2 PHE 37 HE2 PHE 37 11.940 -3.090 7.598 338 HZ PHE 37 HZ PHE 37 13.776 -1.802 6.506 339 H VAL 38 H VAL 38 6.183 -2.297 4.804 340 HA VAL 38 HA VAL 38 7.763 -4.679 4.317 341 HB VAL 38 HB VAL 38 6.090 -5.801 5.243 342 HG11 VAL 38 1HG1 VAL 38 5.889 -3.716 6.531 343 HG12 VAL 38 2HG1 VAL 38 4.592 -3.225 5.420 344 HG13 VAL 38 3HG1 VAL 38 4.378 -4.643 6.455 345 HG21 VAL 38 3HG2 VAL 38 4.067 -4.542 3.361 346 HG22 VAL 38 1HG2 VAL 38 4.900 -6.103 3.123 347 HG23 VAL 38 2HG2 VAL 38 3.758 -5.905 4.458 348 H LYS 39 H LYS 39 5.700 -2.610 2.356 349 HA LYS 39 HA LYS 39 5.368 -4.423 0.184 350 HB2 LYS 39 1HB LYS 39 4.161 -2.234 0.420 351 HB3 LYS 39 2HB LYS 39 5.666 -1.398 0.056 352 HG2 LYS 39 1HG LYS 39 5.273 -3.252 -2.065 353 HG3 LYS 39 2HG LYS 39 3.705 -2.502 -1.754 354 HD2 LYS 39 1HD LYS 39 4.776 -1.124 -3.376 355 HD3 LYS 39 2HD LYS 39 4.863 -0.238 -1.854 356 HE2 LYS 39 1HE LYS 39 6.987 -0.014 -3.003 357 HE3 LYS 39 2HE LYS 39 7.242 -1.031 -1.581 358 HZ1 LYS 39 3HZ LYS 39 7.290 -2.959 -2.992 359 HZ2 LYS 39 1HZ LYS 39 8.341 -1.846 -3.615 360 HZ3 LYS 39 2HZ LYS 39 6.869 -2.079 -4.332 361 H ASP 40 H ASP 40 7.946 -2.203 1.119 362 HA ASP 40 HA ASP 40 9.521 -2.556 -1.281 363 HB2 ASP 40 1HB ASP 40 9.469 -0.697 0.643 364 HB3 ASP 40 2HB ASP 40 10.718 -1.725 1.357 365 H THR 41 H THR 41 9.732 -3.854 2.061 366 HA THR 41 HA THR 41 12.102 -5.397 1.530 367 HB THR 41 HB THR 41 10.089 -5.901 3.771 368 HG1 THR 41 HG1 THR 41 10.604 -3.675 3.703 369 HG21 THR 41 1HG2 THR 41 12.008 -7.504 3.549 370 HG22 THR 41 2HG2 THR 41 12.086 -6.545 5.037 371 HG23 THR 41 3HG2 THR 41 13.127 -6.127 3.664 372 H CYS 42 H CYS 42 8.636 -6.233 1.516 373 HA CYS 42 HA CYS 42 9.348 -8.890 0.357 374 HB2 CYS 42 1HB CYS 42 7.119 -9.526 1.740 375 HB3 CYS 42 2HB CYS 42 8.752 -9.774 2.340 376 HG CYS 42 HG CYS 42 7.034 -7.026 2.800 377 HA PRO 43 HA PRO 43 6.199 -6.632 -2.139 378 HB2 PRO 43 1HB PRO 43 7.135 -7.297 -4.613 379 HB3 PRO 43 2HB PRO 43 7.873 -5.983 -3.637 380 HG2 PRO 43 1HG PRO 43 8.757 -8.851 -3.919 381 HG3 PRO 43 2HG PRO 43 9.725 -7.353 -4.084 382 HD2 PRO 43 1HD PRO 43 9.663 -8.811 -1.781 383 HD3 PRO 43 2HD PRO 43 9.800 -7.008 -1.770 384 H TRP 44 H TRP 44 7.332 -9.896 -1.982 385 HA TRP 44 HA TRP 44 5.156 -11.075 -3.501 386 HB2 TRP 44 1HB TRP 44 6.098 -13.158 -2.227 387 HB3 TRP 44 2HB TRP 44 7.029 -12.400 -3.527 388 HD1 TRP 44 HD1 TRP 44 6.821 -12.031 0.323 389 HE1 TRP 44 HE1 TRP 44 9.149 -11.641 1.291 390 HE3 TRP 44 HE3 TRP 44 9.360 -11.907 -4.091 391 HZ2 TRP 44 HZ2 TRP 44 11.779 -11.257 0.263 392 HZ3 TRP 44 HZ3 TRP 44 11.830 -11.493 -4.045 393 HH2 TRP 44 HH2 TRP 44 13.017 -11.170 -1.873 394 H PHE 45 H PHE 45 5.337 -9.691 -0.342 395 HA PHE 45 HA PHE 45 3.484 -11.569 0.892 396 HB2 PHE 45 1HB PHE 45 4.890 -10.249 2.340 397 HB3 PHE 45 2HB PHE 45 4.257 -8.745 1.671 398 HD1 PHE 45 HD2 PHE 45 3.189 -11.818 3.545 399 HD2 PHE 45 HD1 PHE 45 2.366 -7.700 2.600 400 HE1 PHE 45 HE2 PHE 45 1.343 -11.799 5.216 401 HE2 PHE 45 HE1 PHE 45 0.515 -7.684 4.267 402 HZ PHE 45 HZ PHE 45 -0.006 -9.738 5.571 403 HA PRO 46 HA PRO 46 0.080 -8.565 -0.122 404 HB2 PRO 46 1HB PRO 46 0.290 -6.754 -2.167 405 HB3 PRO 46 2HB PRO 46 0.697 -6.355 -0.470 406 HG2 PRO 46 1HG PRO 46 2.529 -7.204 -2.686 407 HG3 PRO 46 2HG PRO 46 2.649 -5.776 -1.606 408 HD2 PRO 46 1HD PRO 46 4.026 -8.004 -1.066 409 HD3 PRO 46 2HD PRO 46 3.232 -7.092 0.256 410 H GLN 47 H GLN 47 2.302 -9.756 -2.551 411 HA GLN 47 HA GLN 47 0.481 -10.270 -4.670 412 HB2 GLN 47 1HB GLN 47 3.032 -10.341 -4.632 413 HB3 GLN 47 2HB GLN 47 2.886 -11.932 -3.880 414 HG2 GLN 47 1HG GLN 47 1.676 -12.759 -5.855 415 HG3 GLN 47 2HG GLN 47 1.815 -11.160 -6.604 416 HE21 GLN 47 2HE2 GLN 47 2.838 -12.583 -8.286 417 HE22 GLN 47 1HE2 GLN 47 4.559 -12.854 -8.149 418 H GLU 48 H GLU 48 0.989 -11.931 -1.584 419 HA GLU 48 HA GLU 48 -0.231 -14.425 -2.417 420 HB2 GLU 48 1HB GLU 48 0.031 -13.234 0.372 421 HB3 GLU 48 2HB GLU 48 -0.413 -14.899 -0.017 422 HG2 GLU 48 1HG GLU 48 1.879 -14.871 -1.337 423 HG3 GLU 48 2HG GLU 48 2.252 -13.553 -0.213 424 H GLY 49 H GLY 49 -1.479 -11.293 -1.722 425 HA2 GLY 49 1HA GLY 49 -3.615 -10.498 -1.755 426 HA3 GLY 49 2HA GLY 49 -4.062 -12.006 -2.546 427 H THR 50 H THR 50 -2.767 -12.401 0.610 428 HA THR 50 HA THR 50 -5.509 -12.669 1.767 429 HB THR 50 HB THR 50 -3.282 -14.737 1.902 430 HG1 THR 50 HG1 THR 50 -4.275 -14.611 -0.170 431 HG21 THR 50 1HG2 THR 50 -4.654 -14.909 3.876 432 HG22 THR 50 2HG2 THR 50 -5.170 -16.198 2.763 433 HG23 THR 50 3HG2 THR 50 -6.147 -14.723 2.917 434 H ILE 51 H ILE 51 -5.618 -12.182 3.955 435 HA ILE 51 HA ILE 51 -3.009 -11.433 5.242 436 HB ILE 51 HB ILE 51 -5.788 -10.356 5.785 437 HG12 ILE 51 1HG1 ILE 51 -4.894 -9.523 3.668 438 HG13 ILE 51 2HG1 ILE 51 -5.041 -8.296 4.898 439 HG21 ILE 51 1HG2 ILE 51 -4.551 -8.681 7.239 440 HG22 ILE 51 2HG2 ILE 51 -4.496 -10.340 7.862 441 HG23 ILE 51 3HG2 ILE 51 -3.075 -9.658 7.037 442 HD11 ILE 51 3HD1 ILE 51 -3.052 -8.042 3.514 443 HD12 ILE 51 1HD1 ILE 51 -2.675 -8.203 5.236 444 HD13 ILE 51 2HD1 ILE 51 -2.435 -9.586 4.129 445 H ASP 52 H ASP 52 -2.409 -12.848 6.583 446 HA ASP 52 HA ASP 52 -4.218 -13.740 8.717 447 HB2 ASP 52 1HB ASP 52 -4.444 -15.533 6.955 448 HB3 ASP 52 2HB ASP 52 -2.694 -15.790 7.094 449 H ILE 53 H ILE 53 -2.989 -14.703 10.477 450 HA ILE 53 HA ILE 53 -0.598 -13.209 10.841 451 HB ILE 53 HB ILE 53 -2.232 -13.963 12.609 452 HG12 ILE 53 1HG1 ILE 53 -0.492 -14.330 14.351 453 HG13 ILE 53 2HG1 ILE 53 0.691 -14.639 13.090 454 HG21 ILE 53 1HG2 ILE 53 -1.963 -16.143 13.658 455 HG22 ILE 53 2HG2 ILE 53 -2.348 -16.376 11.938 456 HG23 ILE 53 3HG2 ILE 53 -0.667 -16.577 12.516 457 HD11 ILE 53 3HD1 ILE 53 0.740 -12.369 14.169 458 HD12 ILE 53 1HD1 ILE 53 0.720 -12.398 12.399 459 HD13 ILE 53 2HD1 ILE 53 -0.765 -12.024 13.299 460 H LYS 54 H LYS 54 -1.172 -16.500 9.676 461 HA LYS 54 HA LYS 54 1.520 -17.437 10.103 462 HB2 LYS 54 1HB LYS 54 -0.546 -18.218 8.011 463 HB3 LYS 54 2HB LYS 54 0.926 -19.133 8.361 464 HG2 LYS 54 1HG LYS 54 0.136 -19.804 10.503 465 HG3 LYS 54 2HG LYS 54 -1.100 -18.536 10.529 466 HD2 LYS 54 1HD LYS 54 -2.033 -19.759 8.407 467 HD3 LYS 54 2HD LYS 54 -1.127 -21.151 9.038 468 HE2 LYS 54 1HE LYS 54 -2.388 -21.139 11.082 469 HE3 LYS 54 2HE LYS 54 -3.005 -19.502 10.770 470 HZ1 LYS 54 3HZ LYS 54 -4.677 -21.176 10.317 471 HZ2 LYS 54 1HZ LYS 54 -3.719 -21.890 9.178 472 HZ3 LYS 54 2HZ LYS 54 -4.286 -20.358 8.941 473 H ARG 55 H ARG 55 -0.024 -15.522 7.549 474 HA ARG 55 HA ARG 55 2.359 -15.655 5.833 475 HB2 ARG 55 1HB ARG 55 -0.117 -13.893 5.696 476 HB3 ARG 55 2HB ARG 55 1.124 -14.045 4.442 477 HG2 ARG 55 1HG ARG 55 0.584 -16.461 4.228 478 HG3 ARG 55 2HG ARG 55 -0.710 -16.263 5.426 479 HD2 ARG 55 1HD ARG 55 -1.757 -14.560 3.965 480 HD3 ARG 55 2HD ARG 55 -0.513 -14.862 2.748 481 HE ARG 55 HE ARG 55 -2.828 -16.515 3.373 482 HH11 ARG 55 1HH1 ARG 55 0.371 -16.559 1.863 483 HH12 ARG 55 2HH1 ARG 55 -0.055 -17.893 0.820 484 HH21 ARG 55 1HH2 ARG 55 -3.290 -18.189 1.997 485 HH22 ARG 55 2HH2 ARG 55 -2.078 -18.796 0.902 486 H TRP 56 H TRP 56 0.897 -13.484 8.218 487 HA TRP 56 HA TRP 56 2.632 -11.259 7.818 488 HB2 TRP 56 1HB TRP 56 0.481 -11.383 9.147 489 HB3 TRP 56 2HB TRP 56 1.404 -12.166 10.428 490 HD1 TRP 56 HD1 TRP 56 2.310 -10.520 12.211 491 HE1 TRP 56 HE1 TRP 56 2.782 -8.019 12.429 492 HE3 TRP 56 HE3 TRP 56 1.314 -9.213 7.373 493 HZ2 TRP 56 HZ2 TRP 56 2.745 -5.749 10.708 494 HZ3 TRP 56 HZ3 TRP 56 1.571 -6.816 6.697 495 HH2 TRP 56 HH2 TRP 56 2.287 -5.106 8.366 496 H ARG 57 H ARG 57 3.137 -14.347 9.482 497 HA ARG 57 HA ARG 57 5.379 -13.661 11.097 498 HB2 ARG 57 1HB ARG 57 5.280 -16.204 9.447 499 HB3 ARG 57 2HB ARG 57 6.134 -15.930 10.956 500 HG2 ARG 57 1HG ARG 57 3.166 -16.282 10.555 501 HG3 ARG 57 2HG ARG 57 4.274 -17.388 11.342 502 HD2 ARG 57 1HD ARG 57 4.644 -15.548 13.063 503 HD3 ARG 57 2HD ARG 57 3.240 -14.730 12.349 504 HE ARG 57 HE ARG 57 2.567 -17.434 12.932 505 HH11 ARG 57 1HH1 ARG 57 3.166 -14.413 14.649 506 HH12 ARG 57 2HH1 ARG 57 2.071 -14.829 15.945 507 HH21 ARG 57 1HH2 ARG 57 1.194 -17.890 14.641 508 HH22 ARG 57 2HH2 ARG 57 0.967 -16.736 15.928 509 H ARG 58 H ARG 58 5.205 -14.577 7.673 510 HA ARG 58 HA ARG 58 7.949 -14.592 7.072 511 HB2 ARG 58 1HB ARG 58 5.663 -13.742 5.267 512 HB3 ARG 58 2HB ARG 58 7.279 -14.206 4.742 513 HG2 ARG 58 1HG ARG 58 6.920 -16.485 5.618 514 HG3 ARG 58 2HG ARG 58 5.295 -16.018 6.164 515 HD2 ARG 58 1HD ARG 58 5.104 -17.153 4.039 516 HD3 ARG 58 2HD ARG 58 4.700 -15.439 3.818 517 HE ARG 58 HE ARG 58 7.493 -15.930 3.306 518 HH11 ARG 58 1HH1 ARG 58 4.312 -16.262 1.783 519 HH12 ARG 58 2HH1 ARG 58 4.981 -16.208 0.180 520 HH21 ARG 58 1HH2 ARG 58 8.261 -15.850 1.218 521 HH22 ARG 58 2HH2 ARG 58 7.166 -15.964 -0.133 522 H VAL 59 H VAL 59 5.801 -11.825 7.422 523 HA VAL 59 HA VAL 59 7.491 -9.964 6.000 524 HB VAL 59 HB VAL 59 5.438 -9.470 8.207 525 HG11 VAL 59 1HG1 VAL 59 5.294 -7.204 7.145 526 HG12 VAL 59 2HG1 VAL 59 6.831 -7.542 7.964 527 HG13 VAL 59 3HG1 VAL 59 6.744 -7.629 6.194 528 HG21 VAL 59 3HG2 VAL 59 3.926 -8.941 6.306 529 HG22 VAL 59 1HG2 VAL 59 5.180 -9.536 5.190 530 HG23 VAL 59 2HG2 VAL 59 4.423 -10.641 6.362 531 H GLY 60 H GLY 60 7.164 -11.038 9.377 532 HA2 GLY 60 1HA GLY 60 9.123 -9.162 10.376 533 HA3 GLY 60 2HA GLY 60 8.463 -10.585 11.211 534 H ASP 61 H ASP 61 9.135 -12.518 9.215 535 HA ASP 61 HA ASP 61 11.836 -13.142 9.898 536 HB2 ASP 61 1HB ASP 61 10.169 -14.102 7.532 537 HB3 ASP 61 2HB ASP 61 11.658 -14.857 8.110 538 H CYS 62 H CYS 62 10.336 -11.525 7.105 539 HA CYS 62 HA CYS 62 12.666 -11.262 5.484 540 HB2 CYS 62 1HB CYS 62 9.941 -10.307 5.536 541 HB3 CYS 62 2HB CYS 62 11.014 -8.948 5.213 542 HG CYS 62 HG CYS 62 10.411 -9.489 2.939 543 H PHE 63 H PHE 63 11.276 -9.104 8.015 544 HA PHE 63 HA PHE 63 13.259 -7.053 7.643 545 HB2 PHE 63 1HB PHE 63 11.735 -7.792 10.164 546 HB3 PHE 63 2HB PHE 63 12.636 -6.302 9.916 547 HD1 PHE 63 HD2 PHE 63 11.736 -5.785 6.989 548 HD2 PHE 63 HD1 PHE 63 9.587 -6.833 10.571 549 HE1 PHE 63 HE2 PHE 63 9.702 -4.699 6.079 550 HE2 PHE 63 HE1 PHE 63 7.554 -5.718 9.672 551 HZ PHE 63 HZ PHE 63 7.609 -4.653 7.422 552 H GLN 64 H GLN 64 13.110 -9.999 9.641 553 HA GLN 64 HA GLN 64 15.446 -9.450 11.201 554 HB2 GLN 64 1HB GLN 64 13.789 -11.190 11.759 555 HB3 GLN 64 2HB GLN 64 14.230 -12.081 10.302 556 HG2 GLN 64 1HG GLN 64 16.507 -12.434 11.173 557 HG3 GLN 64 2HG GLN 64 16.075 -11.541 12.646 558 HE21 GLN 64 2HE2 GLN 64 15.132 -14.352 10.665 559 HE22 GLN 64 1HE2 GLN 64 14.576 -15.317 12.013 560 H ASP 65 H ASP 65 14.972 -11.174 8.093 561 HA ASP 65 HA ASP 65 17.656 -12.083 7.876 562 HB2 ASP 65 1HB ASP 65 15.583 -12.749 6.537 563 HB3 ASP 65 2HB ASP 65 15.855 -11.306 5.559 564 H TYR 66 H TYR 66 16.022 -9.178 6.559 565 HA TYR 66 HA TYR 66 18.405 -8.131 5.363 566 HB2 TYR 66 1HB TYR 66 15.741 -7.487 5.343 567 HB3 TYR 66 2HB TYR 66 16.412 -6.174 6.303 568 HD1 TYR 66 HD1 TYR 66 19.036 -5.631 5.036 569 HD2 TYR 66 HD2 TYR 66 15.298 -6.698 3.186 570 HE1 TYR 66 HE1 TYR 66 19.772 -4.557 2.927 571 HE2 TYR 66 HE2 TYR 66 16.034 -5.585 1.082 572 HH TYR 66 HH TYR 66 17.749 -4.537 -0.012 573 H PHE 67 H PHE 67 17.028 -7.868 8.642 574 HA PHE 67 HA PHE 67 18.795 -5.750 9.517 575 HB2 PHE 67 1HB PHE 67 16.695 -6.445 10.663 576 HB3 PHE 67 2HB PHE 67 17.479 -7.951 11.152 577 HD1 PHE 67 HD2 PHE 67 19.360 -7.894 12.811 578 HD2 PHE 67 HD1 PHE 67 17.099 -4.379 11.799 579 HE1 PHE 67 HE2 PHE 67 20.220 -6.757 14.853 580 HE2 PHE 67 HE1 PHE 67 17.929 -3.244 13.839 581 HZ PHE 67 HZ PHE 67 19.502 -4.427 15.375 582 H ASN 68 H ASN 68 19.107 -9.329 9.450 583 HA ASN 68 HA ASN 68 21.592 -9.237 10.966 584 HB2 ASN 68 1HB ASN 68 21.283 -11.439 11.093 585 HB3 ASN 68 2HB ASN 68 19.782 -11.235 10.193 586 HD21 ASN 68 2HD2 ASN 68 19.653 -11.994 8.122 587 HD22 ASN 68 1HD2 ASN 68 20.948 -12.863 7.341 588 H THR 69 H THR 69 20.684 -9.252 7.559 589 HA THR 69 HA THR 69 23.334 -9.562 6.518 590 HB THR 69 HB THR 69 20.913 -8.196 5.227 591 HG1 THR 69 HG1 THR 69 20.361 -10.292 5.823 592 HG21 THR 69 1HG2 THR 69 21.955 -9.014 3.110 593 HG22 THR 69 2HG2 THR 69 23.383 -9.523 4.038 594 HG23 THR 69 3HG2 THR 69 22.954 -7.798 3.937 595 H PHE 70 H PHE 70 21.397 -6.611 7.232 596 HA PHE 70 HA PHE 70 23.826 -5.015 6.521 597 HB2 PHE 70 1HB PHE 70 21.409 -5.159 5.219 598 HB3 PHE 70 2HB PHE 70 21.238 -3.718 6.206 599 HD1 PHE 70 HD2 PHE 70 22.758 -1.767 5.869 600 HD2 PHE 70 HD1 PHE 70 22.989 -5.289 3.420 601 HE1 PHE 70 HE2 PHE 70 24.129 -0.508 4.216 602 HE2 PHE 70 HE1 PHE 70 24.365 -4.045 1.749 603 HZ PHE 70 HZ PHE 70 24.938 -1.646 2.146 604 H GLY 71 H GLY 71 22.154 -5.801 9.235 605 HA2 GLY 71 1HA GLY 71 22.407 -4.866 11.312 606 HA3 GLY 71 2HA GLY 71 23.301 -3.536 10.582 607 HA PRO 72 HA PRO 72 19.200 -2.086 12.271 608 HB2 PRO 72 1HB PRO 72 20.124 -0.330 14.134 609 HB3 PRO 72 2HB PRO 72 20.021 -2.090 14.458 610 HG2 PRO 72 1HG PRO 72 22.391 -0.487 13.539 611 HG3 PRO 72 2HG PRO 72 22.263 -1.614 14.929 612 HD2 PRO 72 1HD PRO 72 23.277 -2.417 12.564 613 HD3 PRO 72 2HD PRO 72 22.228 -3.507 13.538 614 H GLU 73 H GLU 73 21.911 -0.653 10.719 615 HA GLU 73 HA GLU 73 20.814 2.029 10.549 616 HB2 GLU 73 1HB GLU 73 22.980 0.651 8.946 617 HB3 GLU 73 2HB GLU 73 22.585 2.376 8.869 618 HG2 GLU 73 1HG GLU 73 23.059 2.478 11.362 619 HG3 GLU 73 2HG GLU 73 23.733 0.844 11.218 620 H LYS 74 H LYS 74 20.336 -0.959 8.948 621 HA LYS 74 HA LYS 74 19.095 0.374 6.607 622 HB2 LYS 74 1HB LYS 74 20.623 -1.530 6.339 623 HB3 LYS 74 2HB LYS 74 19.541 -2.540 7.295 624 HG2 LYS 74 1HG LYS 74 18.985 -3.146 5.131 625 HG3 LYS 74 2HG LYS 74 17.732 -1.973 5.533 626 HD2 LYS 74 1HD LYS 74 19.190 -0.221 4.371 627 HD3 LYS 74 2HD LYS 74 20.176 -1.585 3.792 628 HE2 LYS 74 1HE LYS 74 17.946 -2.593 2.961 629 HE3 LYS 74 2HE LYS 74 17.248 -0.991 3.236 630 HZ1 LYS 74 3HZ LYS 74 17.926 -1.118 0.990 631 HZ2 LYS 74 1HZ LYS 74 19.423 -1.707 1.367 632 HZ3 LYS 74 2HZ LYS 74 19.030 -0.145 1.729 633 H VAL 75 H VAL 75 18.243 -1.998 9.186 634 HA VAL 75 HA VAL 75 15.387 -1.211 8.696 635 HB VAL 75 HB VAL 75 16.507 -3.821 9.844 636 HG11 VAL 75 1HG1 VAL 75 13.634 -3.006 9.228 637 HG12 VAL 75 2HG1 VAL 75 14.163 -4.632 9.716 638 HG13 VAL 75 3HG1 VAL 75 14.335 -3.278 10.843 639 HG21 VAL 75 3HG2 VAL 75 15.273 -3.219 7.131 640 HG22 VAL 75 1HG2 VAL 75 16.919 -3.800 7.469 641 HG23 VAL 75 2HG2 VAL 75 15.528 -4.855 7.774 642 HA PRO 76 HA PRO 76 16.212 0.195 12.815 643 HB2 PRO 76 1HB PRO 76 13.831 1.278 13.531 644 HB3 PRO 76 2HB PRO 76 14.879 2.045 12.310 645 HG2 PRO 76 1HG PRO 76 12.485 0.299 11.897 646 HG3 PRO 76 2HG PRO 76 12.889 1.855 11.119 647 HD2 PRO 76 1HD PRO 76 13.370 -0.583 9.954 648 HD3 PRO 76 2HD PRO 76 14.394 0.864 9.654 649 H VAL 77 H VAL 77 15.823 -0.544 14.980 650 HA VAL 77 HA VAL 77 14.632 -3.135 15.212 651 HB VAL 77 HB VAL 77 14.919 -2.831 17.667 652 HG11 VAL 77 1HG1 VAL 77 16.796 -3.604 16.241 653 HG12 VAL 77 2HG1 VAL 77 17.335 -1.920 16.039 654 HG13 VAL 77 3HG1 VAL 77 17.365 -2.682 17.646 655 HG21 VAL 77 3HG2 VAL 77 14.401 -0.404 17.829 656 HG22 VAL 77 1HG2 VAL 77 15.971 -0.785 18.554 657 HG23 VAL 77 2HG2 VAL 77 15.906 -0.024 16.952 658 H THR 78 H THR 78 13.267 0.065 15.302 659 HA THR 78 HA THR 78 10.925 -0.691 16.818 660 HB THR 78 HB THR 78 11.798 1.718 16.389 661 HG1 THR 78 HG1 THR 78 9.907 1.380 17.503 662 HG21 THR 78 1HG2 THR 78 11.700 1.516 13.866 663 HG22 THR 78 2HG2 THR 78 10.893 2.931 14.560 664 HG23 THR 78 3HG2 THR 78 9.932 1.541 14.026 665 H ALA 79 H ALA 79 11.924 -1.231 13.502 666 HA ALA 79 HA ALA 79 9.299 -1.330 12.352 667 HB1 ALA 79 3HB ALA 79 11.827 -2.876 11.647 668 HB2 ALA 79 1HB ALA 79 10.364 -2.787 10.637 669 HB3 ALA 79 2HB ALA 79 11.307 -1.317 10.964 670 H PHE 80 H PHE 80 11.224 -3.691 14.197 671 HA PHE 80 HA PHE 80 9.396 -5.887 13.799 672 HB2 PHE 80 1HB PHE 80 11.392 -5.357 16.031 673 HB3 PHE 80 2HB PHE 80 10.616 -6.907 15.685 674 HD1 PHE 80 HD1 PHE 80 11.282 -8.254 13.754 675 HD2 PHE 80 HD2 PHE 80 13.178 -4.488 14.596 676 HE1 PHE 80 HE1 PHE 80 13.111 -8.826 12.181 677 HE2 PHE 80 HE2 PHE 80 15.006 -5.036 13.009 678 HZ PHE 80 HZ PHE 80 14.971 -7.214 11.787 679 H SER 81 H SER 81 9.576 -3.199 16.045 680 HA SER 81 HA SER 81 7.693 -4.310 17.970 681 HB2 SER 81 1HB SER 81 9.382 -2.591 18.583 682 HB3 SER 81 2HB SER 81 8.568 -1.426 17.516 683 HG SER 81 HG SER 81 7.985 -1.396 19.828 684 H TYR 82 H TYR 82 7.581 -1.977 15.268 685 HA TYR 82 HA TYR 82 4.774 -1.417 15.435 686 HB2 TYR 82 1HB TYR 82 6.951 -1.166 13.399 687 HB3 TYR 82 2HB TYR 82 5.289 -1.195 12.792 688 HD1 TYR 82 HD2 TYR 82 7.696 0.713 14.919 689 HD2 TYR 82 HD1 TYR 82 3.738 0.574 13.226 690 HE1 TYR 82 HE2 TYR 82 7.373 3.105 15.495 691 HE2 TYR 82 HE1 TYR 82 3.433 3.004 13.795 692 HH TYR 82 HH TYR 82 6.006 4.915 15.375 693 H TRP 83 H TRP 83 6.698 -3.859 13.665 694 HA TRP 83 HA TRP 83 4.563 -5.064 12.289 695 HB2 TRP 83 1HB TRP 83 6.916 -5.549 11.829 696 HB3 TRP 83 2HB TRP 83 7.143 -6.174 13.451 697 HD1 TRP 83 HD1 TRP 83 5.516 -7.201 10.129 698 HE1 TRP 83 HE1 TRP 83 5.135 -9.720 10.101 699 HE3 TRP 83 HE3 TRP 83 6.906 -8.172 14.954 700 HZ2 TRP 83 HZ2 TRP 83 5.390 -11.873 11.932 701 HZ3 TRP 83 HZ3 TRP 83 6.834 -10.536 15.768 702 HH2 TRP 83 HH2 TRP 83 6.078 -12.371 14.252 703 H ASN 84 H ASN 84 5.705 -5.514 15.626 704 HA ASN 84 HA ASN 84 4.193 -7.878 16.164 705 HB2 ASN 84 1HB ASN 84 6.190 -7.303 17.427 706 HB3 ASN 84 2HB ASN 84 5.479 -5.765 17.922 707 HD21 ASN 84 2HD2 ASN 84 3.901 -5.689 19.465 708 HD22 ASN 84 1HD2 ASN 84 3.552 -7.053 20.473 709 H LEU 85 H LEU 85 3.622 -4.409 16.501 710 HA LEU 85 HA LEU 85 1.337 -4.484 18.176 711 HB2 LEU 85 1HB LEU 85 2.657 -2.480 17.571 712 HB3 LEU 85 2HB LEU 85 2.049 -2.560 15.931 713 HG LEU 85 HG LEU 85 0.050 -2.275 18.137 714 HD11 LEU 85 1HD1 LEU 85 1.818 -0.025 17.095 715 HD12 LEU 85 2HD1 LEU 85 1.830 -0.694 18.746 716 HD13 LEU 85 3HD1 LEU 85 0.397 0.169 18.152 717 HD21 LEU 85 3HD2 LEU 85 0.307 -1.100 15.325 718 HD22 LEU 85 1HD2 LEU 85 -1.047 -0.798 16.438 719 HD23 LEU 85 2HD2 LEU 85 -0.764 -2.433 15.813 720 H ILE 86 H ILE 86 1.678 -4.904 14.660 721 HA ILE 86 HA ILE 86 -1.247 -5.161 14.364 722 HB ILE 86 HB ILE 86 1.039 -5.413 12.351 723 HG12 ILE 86 1HG1 ILE 86 -0.579 -3.391 11.517 724 HG13 ILE 86 2HG1 ILE 86 -0.836 -3.256 13.249 725 HG21 ILE 86 1HG2 ILE 86 -1.989 -5.598 11.933 726 HG22 ILE 86 2HG2 ILE 86 -0.798 -5.384 10.620 727 HG23 ILE 86 3HG2 ILE 86 -0.782 -6.858 11.595 728 HD11 ILE 86 3HD1 ILE 86 1.439 -2.739 13.654 729 HD12 ILE 86 1HD1 ILE 86 1.954 -3.307 12.051 730 HD13 ILE 86 2HD1 ILE 86 1.008 -1.808 12.208 731 H LYS 87 H LYS 87 1.590 -7.257 14.735 732 HA LYS 87 HA LYS 87 0.451 -9.619 13.669 733 HB2 LYS 87 1HB LYS 87 2.407 -10.508 14.279 734 HB3 LYS 87 2HB LYS 87 2.828 -8.957 14.985 735 HG2 LYS 87 1HG LYS 87 1.875 -9.742 17.172 736 HG3 LYS 87 2HG LYS 87 1.586 -11.330 16.436 737 HD2 LYS 87 1HD LYS 87 4.009 -11.565 16.043 738 HD3 LYS 87 2HD LYS 87 4.267 -9.955 16.749 739 HE2 LYS 87 1HE LYS 87 3.036 -10.844 18.828 740 HE3 LYS 87 2HE LYS 87 3.269 -12.462 18.137 741 HZ1 LYS 87 3HZ LYS 87 5.689 -11.936 18.105 742 HZ2 LYS 87 1HZ LYS 87 5.060 -11.939 19.631 743 HZ3 LYS 87 2HZ LYS 87 5.373 -10.506 18.878 744 H GLU 88 H GLU 88 0.086 -8.210 16.957 745 HA GLU 88 HA GLU 88 -1.419 -10.514 17.862 746 HB2 GLU 88 1HB GLU 88 -1.878 -9.146 19.848 747 HB3 GLU 88 2HB GLU 88 -0.169 -9.149 19.404 748 HG2 GLU 88 1HG GLU 88 -0.631 -6.934 18.214 749 HG3 GLU 88 2HG GLU 88 -2.165 -6.914 19.096 750 H LEU 89 H LEU 89 -2.241 -7.597 16.119 751 HA LEU 89 HA LEU 89 -5.078 -7.753 16.692 752 HB2 LEU 89 1HB LEU 89 -3.565 -6.388 14.454 753 HB3 LEU 89 2HB LEU 89 -5.293 -6.220 14.747 754 HG LEU 89 HG LEU 89 -3.074 -5.318 16.603 755 HD11 LEU 89 1HD1 LEU 89 -5.052 -3.752 14.900 756 HD12 LEU 89 2HD1 LEU 89 -3.320 -3.971 14.549 757 HD13 LEU 89 3HD1 LEU 89 -3.823 -3.060 15.984 758 HD21 LEU 89 3HD2 LEU 89 -4.960 -4.157 17.829 759 HD22 LEU 89 1HD2 LEU 89 -4.915 -5.918 18.008 760 HD23 LEU 89 2HD2 LEU 89 -6.089 -5.168 16.906 761 H ILE 90 H ILE 90 -2.958 -8.959 14.054 762 HA ILE 90 HA ILE 90 -5.243 -10.020 12.583 763 HB ILE 90 HB ILE 90 -2.332 -10.934 12.369 764 HG12 ILE 90 1HG1 ILE 90 -3.747 -8.913 10.596 765 HG13 ILE 90 2HG1 ILE 90 -2.690 -8.449 11.930 766 HG21 ILE 90 1HG2 ILE 90 -3.041 -11.708 10.101 767 HG22 ILE 90 2HG2 ILE 90 -4.015 -12.487 11.355 768 HG23 ILE 90 3HG2 ILE 90 -4.692 -11.136 10.419 769 HD11 ILE 90 3HD1 ILE 90 -0.809 -9.750 10.848 770 HD12 ILE 90 1HD1 ILE 90 -1.863 -10.034 9.447 771 HD13 ILE 90 2HD1 ILE 90 -1.387 -8.379 9.873 772 H ASP 91 H ASP 91 -2.894 -11.276 14.977 773 HA ASP 91 HA ASP 91 -3.591 -14.019 14.765 774 HB2 ASP 91 1HB ASP 91 -1.643 -12.943 16.019 775 HB3 ASP 91 2HB ASP 91 -2.780 -12.599 17.329 776 H LYS 92 H LYS 92 -5.101 -11.349 16.580 777 HA LYS 92 HA LYS 92 -7.257 -13.267 17.371 778 HB2 LYS 92 1HB LYS 92 -6.296 -10.711 18.679 779 HB3 LYS 92 2HB LYS 92 -7.785 -11.538 19.149 780 HG2 LYS 92 1HG LYS 92 -5.092 -12.927 19.158 781 HG3 LYS 92 2HG LYS 92 -5.728 -12.049 20.557 782 HD2 LYS 92 1HD LYS 92 -7.323 -13.623 21.021 783 HD3 LYS 92 2HD LYS 92 -7.599 -14.032 19.323 784 HE2 LYS 92 1HE LYS 92 -5.036 -14.813 20.733 785 HE3 LYS 92 2HE LYS 92 -6.504 -15.814 20.820 786 HZ1 LYS 92 3HZ LYS 92 -5.084 -16.512 19.003 787 HZ2 LYS 92 1HZ LYS 92 -5.125 -15.025 18.313 788 HZ3 LYS 92 2HZ LYS 92 -6.510 -15.934 18.404 789 H LYS 93 H LYS 93 -7.084 -11.962 14.745 790 HA LYS 93 HA LYS 93 -9.028 -9.842 14.618 791 HB2 LYS 93 1HB LYS 93 -9.208 -10.345 12.259 792 HB3 LYS 93 2HB LYS 93 -7.516 -10.412 12.757 793 HG2 LYS 93 1HG LYS 93 -7.733 -12.937 12.871 794 HG3 LYS 93 2HG LYS 93 -9.341 -12.776 12.147 795 HD2 LYS 93 1HD LYS 93 -8.460 -11.894 10.132 796 HD3 LYS 93 2HD LYS 93 -6.899 -11.524 10.879 797 HE2 LYS 93 1HE LYS 93 -6.600 -13.436 9.448 798 HE3 LYS 93 2HE LYS 93 -6.454 -13.961 11.136 799 HZ1 LYS 93 3HZ LYS 93 -8.842 -14.303 9.419 800 HZ2 LYS 93 1HZ LYS 93 -8.734 -14.777 10.998 801 HZ3 LYS 93 2HZ LYS 93 -7.781 -15.489 9.854 802 H GLU 94 H GLU 94 -9.229 -13.219 15.105 803 HA GLU 94 HA GLU 94 -11.852 -13.824 14.253 804 HB2 GLU 94 1HB GLU 94 -11.554 -15.765 15.810 805 HB3 GLU 94 2HB GLU 94 -10.201 -15.501 14.701 806 HG2 GLU 94 1HG GLU 94 -8.985 -14.294 16.565 807 HG3 GLU 94 2HG GLU 94 -10.282 -14.774 17.655 808 H VAL 95 H VAL 95 -10.796 -12.107 17.144 809 HA VAL 95 HA VAL 95 -13.640 -12.158 18.095 810 HB VAL 95 HB VAL 95 -12.733 -11.855 20.421 811 HG11 VAL 95 1HG1 VAL 95 -11.817 -14.415 19.052 812 HG12 VAL 95 2HG1 VAL 95 -12.142 -14.200 20.784 813 HG13 VAL 95 3HG1 VAL 95 -13.465 -14.070 19.608 814 HG21 VAL 95 3HG2 VAL 95 -10.391 -12.346 20.915 815 HG22 VAL 95 1HG2 VAL 95 -10.039 -12.631 19.198 816 HG23 VAL 95 2HG2 VAL 95 -10.462 -10.996 19.766 817 H ASN 96 H ASN 96 -11.730 -10.302 16.399 818 HA ASN 96 HA ASN 96 -12.491 -7.829 17.895 819 HB2 ASN 96 1HB ASN 96 -10.018 -8.538 18.003 820 HB3 ASN 96 2HB ASN 96 -9.924 -8.039 16.312 821 HD21 ASN 96 2HD2 ASN 96 -8.470 -6.882 18.409 822 HD22 ASN 96 1HD2 ASN 96 -9.027 -5.239 18.614 823 HA PRO 97 HA PRO 97 -14.169 -8.011 13.685 824 HB2 PRO 97 1HB PRO 97 -16.424 -6.479 14.017 825 HB3 PRO 97 2HB PRO 97 -16.313 -8.204 14.495 826 HG2 PRO 97 1HG PRO 97 -15.904 -5.758 16.208 827 HG3 PRO 97 2HG PRO 97 -16.974 -7.171 16.497 828 HD2 PRO 97 1HD PRO 97 -14.555 -7.052 17.638 829 HD3 PRO 97 2HD PRO 97 -15.147 -8.602 16.940 830 H GLN 98 H GLN 98 -13.506 -5.003 15.494 831 HA GLN 98 HA GLN 98 -13.901 -3.276 13.233 832 HB2 GLN 98 1HB GLN 98 -12.688 -1.588 14.478 833 HB3 GLN 98 2HB GLN 98 -13.808 -2.432 15.553 834 HG2 GLN 98 1HG GLN 98 -11.744 -3.855 16.173 835 HG3 GLN 98 2HG GLN 98 -10.810 -2.543 15.462 836 HE21 GLN 98 2HE2 GLN 98 -11.997 -3.747 18.274 837 HE22 GLN 98 1HE2 GLN 98 -12.096 -2.264 19.205 838 H VAL 99 H VAL 99 -11.161 -5.245 14.385 839 HA VAL 99 HA VAL 99 -9.496 -4.102 12.278 840 HB VAL 99 HB VAL 99 -7.644 -5.261 13.124 841 HG11 VAL 99 1HG1 VAL 99 -7.568 -4.727 15.458 842 HG12 VAL 99 2HG1 VAL 99 -8.585 -3.515 14.664 843 HG13 VAL 99 3HG1 VAL 99 -9.331 -4.827 15.609 844 HG21 VAL 99 3HG2 VAL 99 -7.773 -7.119 14.776 845 HG22 VAL 99 1HG2 VAL 99 -9.515 -7.180 14.475 846 HG23 VAL 99 2HG2 VAL 99 -8.381 -7.517 13.161 847 H MET 100 H MET 100 -11.489 -6.966 12.827 848 HA MET 100 HA MET 100 -10.458 -8.536 10.693 849 HB2 MET 100 1HB MET 100 -12.139 -9.137 12.560 850 HB3 MET 100 2HB MET 100 -13.372 -8.477 11.483 851 HG2 MET 100 1HG MET 100 -11.851 -10.209 9.875 852 HG3 MET 100 2HG MET 100 -12.016 -11.047 11.428 853 HE1 MET 100 3HE MET 100 -15.376 -10.028 8.418 854 HE2 MET 100 1HE MET 100 -14.423 -8.697 9.115 855 HE3 MET 100 2HE MET 100 -13.620 -9.948 8.134 856 H ALA 101 H ALA 101 -12.887 -5.916 10.728 857 HA ALA 101 HA ALA 101 -13.678 -6.244 7.988 858 HB1 ALA 101 3HB ALA 101 -13.631 -3.775 9.763 859 HB2 ALA 101 1HB ALA 101 -14.503 -3.921 8.217 860 HB3 ALA 101 2HB ALA 101 -14.973 -4.930 9.605 861 H ALA 102 H ALA 102 -10.882 -4.720 9.519 862 HA ALA 102 HA ALA 102 -10.071 -3.278 7.122 863 HB1 ALA 102 3HB ALA 102 -8.104 -2.674 8.442 864 HB2 ALA 102 1HB ALA 102 -9.541 -2.497 9.467 865 HB3 ALA 102 2HB ALA 102 -8.479 -3.911 9.656 866 H VAL 103 H VAL 103 -9.395 -6.364 8.751 867 HA VAL 103 HA VAL 103 -7.163 -7.223 7.173 868 HB VAL 103 HB VAL 103 -9.435 -8.761 8.541 869 HG11 VAL 103 1HG1 VAL 103 -6.881 -9.989 7.514 870 HG12 VAL 103 2HG1 VAL 103 -8.234 -10.809 8.293 871 HG13 VAL 103 3HG1 VAL 103 -8.441 -10.123 6.682 872 HG21 VAL 103 3HG2 VAL 103 -7.800 -7.437 9.962 873 HG22 VAL 103 1HG2 VAL 103 -7.886 -9.165 10.326 874 HG23 VAL 103 2HG2 VAL 103 -6.524 -8.520 9.381 875 H ALA 104 H ALA 104 -10.704 -7.708 6.773 876 HA ALA 104 HA ALA 104 -10.489 -9.140 4.325 877 HB1 ALA 104 3HB ALA 104 -12.515 -9.107 5.749 878 HB2 ALA 104 1HB ALA 104 -12.768 -7.386 5.359 879 HB3 ALA 104 2HB ALA 104 -12.892 -8.617 4.078 880 H GLN 105 H GLN 105 -10.971 -5.635 4.977 881 HA GLN 105 HA GLN 105 -11.151 -4.891 2.233 882 HB2 GLN 105 1HB GLN 105 -10.560 -3.485 4.817 883 HB3 GLN 105 2HB GLN 105 -10.134 -2.671 3.289 884 HG2 GLN 105 1HG GLN 105 -12.517 -3.213 2.517 885 HG3 GLN 105 2HG GLN 105 -12.862 -3.570 4.216 886 HE21 GLN 105 2HE2 GLN 105 -13.404 -1.919 5.495 887 HE22 GLN 105 1HE2 GLN 105 -13.204 -0.223 5.095 888 H THR 106 H THR 106 -8.298 -5.359 4.347 889 HA THR 106 HA THR 106 -6.427 -4.197 2.523 890 HB THR 106 HB THR 106 -5.911 -6.539 4.407 891 HG1 THR 106 HG1 THR 106 -6.773 -4.773 5.535 892 HG21 THR 106 1HG2 THR 106 -4.097 -6.097 2.803 893 HG22 THR 106 2HG2 THR 106 -3.630 -5.634 4.447 894 HG23 THR 106 3HG2 THR 106 -4.096 -4.381 3.277 895 H GLU 107 H GLU 107 -7.683 -7.568 2.875 896 HA GLU 107 HA GLU 107 -6.151 -8.673 0.756 897 HB2 GLU 107 1HB GLU 107 -8.936 -9.373 1.730 898 HB3 GLU 107 2HB GLU 107 -8.034 -10.313 0.535 899 HG2 GLU 107 1HG GLU 107 -6.218 -10.601 2.177 900 HG3 GLU 107 2HG GLU 107 -7.196 -9.771 3.388 901 H GLU 108 H GLU 108 -9.264 -6.865 0.599 902 HA GLU 108 HA GLU 108 -9.695 -7.354 -2.203 903 HB2 GLU 108 1HB GLU 108 -10.473 -4.975 -0.479 904 HB3 GLU 108 2HB GLU 108 -11.075 -5.274 -2.108 905 HG2 GLU 108 1HG GLU 108 -12.132 -7.354 -1.351 906 HG3 GLU 108 2HG GLU 108 -11.521 -7.074 0.286 907 H ILE 109 H ILE 109 -8.038 -4.741 -0.431 908 HA ILE 109 HA ILE 109 -7.407 -3.156 -2.744 909 HB ILE 109 HB ILE 109 -6.135 -3.291 0.036 910 HG12 ILE 109 1HG1 ILE 109 -8.009 -1.184 -1.070 911 HG13 ILE 109 2HG1 ILE 109 -8.639 -2.646 -0.331 912 HG21 ILE 109 1HG2 ILE 109 -5.805 -1.195 -2.177 913 HG22 ILE 109 2HG2 ILE 109 -5.287 -0.964 -0.493 914 HG23 ILE 109 3HG2 ILE 109 -4.531 -2.223 -1.479 915 HD11 ILE 109 3HD1 ILE 109 -7.059 -0.444 0.992 916 HD12 ILE 109 1HD1 ILE 109 -8.682 -1.047 1.380 917 HD13 ILE 109 2HD1 ILE 109 -7.264 -2.047 1.744 918 H LEU 110 H LEU 110 -5.787 -5.853 -1.128 919 HA LEU 110 HA LEU 110 -3.256 -5.632 -2.401 920 HB2 LEU 110 1HB LEU 110 -4.811 -7.615 -0.897 921 HB3 LEU 110 2HB LEU 110 -3.728 -8.340 -2.073 922 HG LEU 110 HG LEU 110 -1.825 -7.436 -1.053 923 HD11 LEU 110 1HD1 LEU 110 -1.903 -5.994 1.015 924 HD12 LEU 110 2HD1 LEU 110 -3.606 -5.682 0.636 925 HD13 LEU 110 3HD1 LEU 110 -2.339 -5.183 -0.497 926 HD21 LEU 110 3HD2 LEU 110 -3.743 -8.337 1.117 927 HD22 LEU 110 1HD2 LEU 110 -1.968 -8.341 1.243 928 HD23 LEU 110 2HD2 LEU 110 -2.768 -9.387 0.063 929 H LYS 111 H LYS 111 -6.333 -6.986 -3.600 930 HA LYS 111 HA LYS 111 -5.181 -8.343 -5.850 931 HB2 LYS 111 1HB LYS 111 -7.909 -7.005 -5.727 932 HB3 LYS 111 2HB LYS 111 -7.428 -8.340 -6.774 933 HG2 LYS 111 1HG LYS 111 -7.686 -8.462 -3.750 934 HG3 LYS 111 2HG LYS 111 -8.876 -9.065 -4.895 935 HD2 LYS 111 1HD LYS 111 -7.753 -10.986 -5.222 936 HD3 LYS 111 2HD LYS 111 -6.206 -10.151 -5.402 937 HE2 LYS 111 1HE LYS 111 -6.125 -11.673 -3.504 938 HE3 LYS 111 2HE LYS 111 -5.951 -9.993 -2.981 939 HZ1 LYS 111 3HZ LYS 111 -8.491 -11.498 -2.800 940 HZ2 LYS 111 1HZ LYS 111 -8.163 -10.005 -2.165 941 HZ3 LYS 111 2HZ LYS 111 -7.408 -11.343 -1.560 942 H SER 112 H SER 112 -5.854 -4.958 -5.237 943 HA SER 112 HA SER 112 -5.642 -4.211 -8.071 944 HB2 SER 112 1HB SER 112 -7.042 -3.028 -6.301 945 HB3 SER 112 2HB SER 112 -5.523 -2.394 -5.643 946 HG SER 112 HG SER 112 -5.131 -1.625 -7.865 947 H ASN 113 H ASN 113 -3.486 -4.787 -5.450 948 HA ASN 113 HA ASN 113 -1.364 -2.985 -6.468 949 HB2 ASN 113 1HB ASN 113 -1.700 -4.795 -4.089 950 HB3 ASN 113 2HB ASN 113 -0.075 -4.314 -4.590 951 HD21 ASN 113 2HD2 ASN 113 -3.219 -3.071 -3.529 952 HD22 ASN 113 1HD2 ASN 113 -2.580 -1.551 -2.940 953 H SER 114 H SER 114 -1.434 -4.038 -8.575 954 HA SER 114 HA SER 114 -0.885 -6.739 -8.961 955 HB2 SER 114 1HB SER 114 -1.766 -5.159 -10.680 956 HB3 SER 114 2HB SER 114 -0.127 -4.501 -10.831 957 HG SER 114 HG SER 114 0.396 -6.892 -11.189 958 H GLN 115 H GLN 115 1.243 -4.337 -8.191 959 HA GLN 115 HA GLN 115 3.398 -6.117 -7.654 960 HB2 GLN 115 1HB GLN 115 3.526 -5.920 -10.223 961 HB3 GLN 115 2HB GLN 115 4.089 -4.268 -9.963 962 HG2 GLN 115 1HG GLN 115 6.040 -5.040 -8.808 963 HG3 GLN 115 2HG GLN 115 5.379 -6.674 -8.657 964 HE21 GLN 115 2HE2 GLN 115 5.850 -8.147 -10.151 965 HE22 GLN 115 1HE2 GLN 115 6.636 -7.802 -11.672 966 H THR 116 H THR 116 2.724 -2.737 -8.614 967 HA THR 116 HA THR 116 3.345 -0.728 -7.715 968 HB THR 116 HB THR 116 3.451 -2.097 -5.059 969 HG1 THR 116 HG1 THR 116 1.116 -1.877 -5.101 970 HG21 THR 116 1HG2 THR 116 3.829 0.362 -5.124 971 HG22 THR 116 2HG2 THR 116 2.297 -0.031 -4.314 972 HG23 THR 116 3HG2 THR 116 2.287 0.563 -5.989 973 H ASP 117 H ASP 117 5.288 -1.679 -8.912 974 HA ASP 117 HA ASP 117 7.690 -2.374 -7.483 975 HB2 ASP 117 1HB ASP 117 8.673 -2.316 -9.774 976 HB3 ASP 117 2HB ASP 117 7.218 -3.305 -9.652 977 H LEU 118 H LEU 118 7.079 -0.006 -6.338 978 HA LEU 118 HA LEU 118 8.957 1.945 -7.597 979 HB2 LEU 118 1HB LEU 118 7.937 3.630 -6.157 980 HB3 LEU 118 2HB LEU 118 6.769 2.836 -7.197 981 HG LEU 118 HG LEU 118 6.310 1.367 -5.022 982 HD11 LEU 118 1HD1 LEU 118 7.242 4.042 -3.874 983 HD12 LEU 118 2HD1 LEU 118 8.033 2.473 -3.605 984 HD13 LEU 118 3HD1 LEU 118 6.401 2.753 -2.980 985 HD21 LEU 118 3HD2 LEU 118 5.282 4.199 -5.476 986 HD22 LEU 118 1HD2 LEU 118 4.474 2.937 -4.518 987 HD23 LEU 118 2HD2 LEU 118 4.683 2.721 -6.267 988 H GLU 119 H GLU 119 10.599 2.902 -6.428 989 HA GLU 119 HA GLU 119 11.387 1.609 -3.839 990 HB2 GLU 119 1HB GLU 119 12.730 0.778 -5.808 991 HB3 GLU 119 2HB GLU 119 13.202 2.444 -6.155 992 HG2 GLU 119 1HG GLU 119 13.761 1.586 -3.381 993 HG3 GLU 119 2HG GLU 119 14.616 0.648 -4.613 994 H HIS 120 H HIS 120 12.374 3.136 -2.355 995 HA HIS 120 HA HIS 120 12.611 5.930 -3.306 996 HB2 HIS 120 1HB HIS 120 10.341 4.945 -1.825 997 HB3 HIS 120 2HB HIS 120 11.170 6.155 -0.856 998 HD1 HIS 120 HD1 HIS 120 10.481 5.993 -4.651 999 HD2 HIS 120 HD2 HIS 120 9.832 8.498 -1.343 1000 HE1 HIS 120 HE1 HIS 120 9.310 8.097 -5.518 1001 H HIS 121 H HIS 121 14.689 4.173 -2.524 1002 HA HIS 121 HA HIS 121 15.602 4.489 0.165 1003 HB2 HIS 121 1HB HIS 121 17.028 4.171 -2.493 1004 HB3 HIS 121 2HB HIS 121 17.928 4.404 -0.991 1005 HD1 HIS 121 HD1 HIS 121 16.760 1.729 -3.069 1006 HD2 HIS 121 HD2 HIS 121 17.036 2.382 1.051 1007 HE1 HIS 121 HE1 HIS 121 16.682 -0.542 -1.943 1008 H HIS 122 H HIS 122 15.694 6.727 -2.557 1009 HA HIS 122 HA HIS 122 17.719 8.455 -1.617 1010 HB2 HIS 122 1HB HIS 122 16.367 8.327 -3.879 1011 HB3 HIS 122 2HB HIS 122 15.350 9.550 -3.106 1012 HD1 HIS 122 HD1 HIS 122 18.563 9.085 -4.923 1013 HD2 HIS 122 HD2 HIS 122 16.831 12.000 -2.448 1014 HE1 HIS 122 HE1 HIS 122 19.916 11.226 -5.236 1015 H HIS 123 H HIS 123 14.668 7.986 -0.120 1016 HA HIS 123 HA HIS 123 14.038 10.606 0.780 1017 HB2 HIS 123 1HB HIS 123 12.525 8.701 1.058 1018 HB3 HIS 123 2HB HIS 123 13.675 7.898 2.128 1019 HD1 HIS 123 HD1 HIS 123 10.984 8.196 3.342 1020 HD2 HIS 123 HD2 HIS 123 13.833 11.268 3.591 1021 HE1 HIS 123 HE1 HIS 123 10.388 9.619 5.371 1022 H HIS 124 H HIS 124 15.813 8.114 2.680 1023 HA HIS 124 HA HIS 124 17.269 8.255 4.435 1024 HB2 HIS 124 1HB HIS 124 17.811 11.155 3.728 1025 HB3 HIS 124 2HB HIS 124 18.771 10.106 4.767 1026 HD1 HIS 124 HD1 HIS 124 18.064 10.894 1.145 1027 HD2 HIS 124 HD2 HIS 124 20.414 8.238 3.390 1028 HE1 HIS 124 HE1 HIS 124 19.754 9.846 -0.458 1029 H HIS 125 H HIS 125 16.613 8.197 6.450 1030 HA HIS 125 HA HIS 125 15.505 8.655 8.391 1031 HB2 HIS 125 1HB HIS 125 17.201 10.636 8.153 1032 HB3 HIS 125 2HB HIS 125 15.766 11.611 7.825 1033 HD1 HIS 125 HD1 HIS 125 17.735 10.067 10.584 1034 HD2 HIS 125 HD2 HIS 125 13.910 11.698 10.063 1035 HE1 HIS 125 HE1 HIS 125 16.810 10.530 12.915 Start of MODEL 38 1 H21 MYR 1 1H2 MYR 1 -0.002 0.252 -1.103 2 H22 MYR 1 2H2 MYR 1 1.536 0.147 -0.265 3 H31 MYR 1 1H3 MYR 1 -0.864 -1.761 0.123 4 H32 MYR 1 2H3 MYR 1 0.586 -2.130 -0.799 5 H41 MYR 1 1H4 MYR 1 1.906 -1.685 1.451 6 H42 MYR 1 2H4 MYR 1 0.330 -1.732 2.228 7 H51 MYR 1 1H5 MYR 1 0.114 -4.105 0.955 8 H52 MYR 1 2H5 MYR 1 1.858 -3.970 0.826 9 H61 MYR 1 1H6 MYR 1 1.612 -5.177 2.837 10 H62 MYR 1 2H6 MYR 1 1.842 -3.538 3.426 11 H71 MYR 1 1H7 MYR 1 -0.738 -3.334 3.545 12 H72 MYR 1 2H7 MYR 1 -0.822 -5.048 3.149 13 H81 MYR 1 1H8 MYR 1 0.590 -5.526 5.232 14 H82 MYR 1 2H8 MYR 1 0.512 -3.809 5.629 15 H91 MYR 1 1H9 MYR 1 -1.882 -5.715 5.351 16 H92 MYR 1 2H9 MYR 1 -2.032 -3.979 5.626 17 H101 MYR 1 1H10 MYR 1 -0.619 -4.334 7.773 18 H102 MYR 1 2H10 MYR 1 -0.820 -6.064 7.532 19 H111 MYR 1 1H11 MYR 1 -2.484 -4.799 9.122 20 H112 MYR 1 2H11 MYR 1 -3.232 -4.155 7.675 21 H121 MYR 1 1H12 MYR 1 -3.882 -6.401 6.908 22 H122 MYR 1 2H12 MYR 1 -2.888 -7.165 8.137 23 H131 MYR 1 1H13 MYR 1 -5.087 -7.358 9.007 24 H132 MYR 1 2H13 MYR 1 -4.397 -6.035 9.929 25 H141 MYR 1 1H14 MYR 1 -5.620 -4.383 8.485 26 H142 MYR 1 2H14 MYR 1 -6.240 -5.712 7.486 27 H143 MYR 1 3H14 MYR 1 -6.749 -5.560 9.167 28 H GLY 2 H GLY 2 1.742 0.895 1.786 29 HA2 GLY 2 1HA GLY 2 -0.342 1.322 3.674 30 HA3 GLY 2 2HA GLY 2 1.284 2.026 3.744 31 H GLN 3 H GLN 3 1.239 3.490 1.335 32 HA GLN 3 HA GLN 3 -0.107 5.868 2.241 33 HB2 GLN 3 1HB GLN 3 1.063 5.133 -0.469 34 HB3 GLN 3 2HB GLN 3 0.527 6.757 -0.012 35 HG2 GLN 3 1HG GLN 3 2.199 6.801 1.808 36 HG3 GLN 3 2HG GLN 3 2.738 5.181 1.353 37 HE21 GLN 3 2HE2 GLN 3 3.891 4.866 -0.573 38 HE22 GLN 3 1HE2 GLN 3 4.643 6.210 -1.401 39 H GLU 4 H GLU 4 -0.930 3.389 -0.200 40 HA GLU 4 HA GLU 4 -3.280 4.761 -1.150 41 HB2 GLU 4 1HB GLU 4 -2.114 3.117 -2.508 42 HB3 GLU 4 2HB GLU 4 -2.350 1.876 -1.279 43 HG2 GLU 4 1HG GLU 4 -3.883 1.391 -2.968 44 HG3 GLU 4 2HG GLU 4 -4.834 2.072 -1.656 45 H LEU 5 H LEU 5 -2.691 2.263 1.341 46 HA LEU 5 HA LEU 5 -5.438 1.747 1.922 47 HB2 LEU 5 1HB LEU 5 -2.923 1.612 3.603 48 HB3 LEU 5 2HB LEU 5 -4.495 1.147 4.230 49 HG LEU 5 HG LEU 5 -3.187 -0.153 1.822 50 HD11 LEU 5 1HD1 LEU 5 -3.321 -1.094 4.706 51 HD12 LEU 5 2HD1 LEU 5 -1.864 -0.529 3.847 52 HD13 LEU 5 3HD1 LEU 5 -2.675 -2.019 3.329 53 HD21 LEU 5 3HD2 LEU 5 -5.547 -1.050 3.504 54 HD22 LEU 5 1HD2 LEU 5 -4.821 -1.935 2.145 55 HD23 LEU 5 2HD2 LEU 5 -5.631 -0.388 1.863 56 H SER 6 H SER 6 -3.167 4.216 3.215 57 HA SER 6 HA SER 6 -5.143 5.435 4.913 58 HB2 SER 6 1HB SER 6 -2.603 5.676 5.049 59 HB3 SER 6 2HB SER 6 -2.727 6.794 3.682 60 HG SER 6 HG SER 6 -4.336 7.917 5.057 61 H GLN 7 H GLN 7 -4.978 5.439 1.510 62 HA GLN 7 HA GLN 7 -6.122 8.187 1.289 63 HB2 GLN 7 1HB GLN 7 -4.245 7.427 -0.204 64 HB3 GLN 7 2HB GLN 7 -5.318 6.196 -0.872 65 HG2 GLN 7 1HG GLN 7 -6.741 7.853 -1.857 66 HG3 GLN 7 2HG GLN 7 -5.953 9.152 -0.948 67 HE21 GLN 7 2HE2 GLN 7 -4.709 6.430 -2.972 68 HE22 GLN 7 1HE2 GLN 7 -3.754 7.477 -4.001 69 H HIS 8 H HIS 8 -6.876 4.803 1.255 70 HA HIS 8 HA HIS 8 -9.489 5.167 -0.073 71 HB2 HIS 8 1HB HIS 8 -8.016 2.833 1.197 72 HB3 HIS 8 2HB HIS 8 -9.702 2.717 0.709 73 HD1 HIS 8 HD1 HIS 8 -9.140 0.907 -1.113 74 HD2 HIS 8 HD2 HIS 8 -7.247 4.599 -1.688 75 HE1 HIS 8 HE1 HIS 8 -8.178 0.894 -3.474 76 H GLU 9 H GLU 9 -10.619 6.619 1.326 77 HA GLU 9 HA GLU 9 -10.727 6.465 4.105 78 HB2 GLU 9 1HB GLU 9 -12.562 7.518 2.016 79 HB3 GLU 9 2HB GLU 9 -13.205 7.345 3.653 80 HG2 GLU 9 1HG GLU 9 -10.706 8.902 2.907 81 HG3 GLU 9 2HG GLU 9 -12.297 9.606 3.240 82 H ARG 10 H ARG 10 -12.473 4.350 1.873 83 HA ARG 10 HA ARG 10 -14.379 3.269 3.700 84 HB2 ARG 10 1HB ARG 10 -12.824 1.938 1.444 85 HB3 ARG 10 2HB ARG 10 -14.174 1.182 2.297 86 HG2 ARG 10 1HG ARG 10 -15.720 2.867 1.472 87 HG3 ARG 10 2HG ARG 10 -14.389 3.785 0.740 88 HD2 ARG 10 1HD ARG 10 -15.498 2.508 -1.001 89 HD3 ARG 10 2HD ARG 10 -13.878 1.838 -0.731 90 HE ARG 10 HE ARG 10 -15.813 0.449 0.871 91 HH11 ARG 10 1HH1 ARG 10 -14.738 0.680 -2.490 92 HH12 ARG 10 2HH1 ARG 10 -15.241 -0.948 -2.857 93 HH21 ARG 10 1HH2 ARG 10 -16.437 -1.618 0.314 94 HH22 ARG 10 2HH2 ARG 10 -16.175 -2.221 -1.299 95 H TYR 11 H TYR 11 -10.923 2.713 3.355 96 HA TYR 11 HA TYR 11 -10.912 0.452 5.249 97 HB2 TYR 11 1HB TYR 11 -9.452 0.549 3.224 98 HB3 TYR 11 2HB TYR 11 -8.671 1.990 3.874 99 HD1 TYR 11 HD1 TYR 11 -9.356 -1.595 4.696 100 HD2 TYR 11 HD2 TYR 11 -6.759 1.778 5.248 101 HE1 TYR 11 HE1 TYR 11 -7.720 -3.043 5.838 102 HE2 TYR 11 HE2 TYR 11 -5.101 0.295 6.400 103 HH TYR 11 HH TYR 11 -5.606 -3.229 6.659 104 H VAL 12 H VAL 12 -9.910 3.861 4.980 105 HA VAL 12 HA VAL 12 -8.570 4.060 7.460 106 HB VAL 12 HB VAL 12 -10.143 6.251 6.033 107 HG11 VAL 12 1HG1 VAL 12 -8.796 7.843 7.203 108 HG12 VAL 12 2HG1 VAL 12 -9.390 6.722 8.437 109 HG13 VAL 12 3HG1 VAL 12 -7.730 6.581 7.849 110 HG21 VAL 12 3HG2 VAL 12 -8.424 5.201 4.560 111 HG22 VAL 12 1HG2 VAL 12 -7.994 6.860 4.985 112 HG23 VAL 12 2HG2 VAL 12 -7.198 5.489 5.795 113 H GLU 13 H GLU 13 -12.079 4.305 6.680 114 HA GLU 13 HA GLU 13 -12.978 5.266 9.169 115 HB2 GLU 13 1HB GLU 13 -14.181 3.354 7.169 116 HB3 GLU 13 2HB GLU 13 -15.040 3.797 8.649 117 HG2 GLU 13 1HG GLU 13 -13.981 5.949 6.826 118 HG3 GLU 13 2HG GLU 13 -15.494 5.111 6.441 119 H GLN 14 H GLN 14 -12.470 1.810 8.265 120 HA GLN 14 HA GLN 14 -13.178 0.802 10.863 121 HB2 GLN 14 1HB GLN 14 -11.253 -0.354 8.798 122 HB3 GLN 14 2HB GLN 14 -11.938 -1.228 10.169 123 HG2 GLN 14 1HG GLN 14 -13.452 -0.126 7.778 124 HG3 GLN 14 2HG GLN 14 -13.088 -1.824 8.115 125 HE21 GLN 14 2HE2 GLN 14 -13.792 -2.343 10.593 126 HE22 GLN 14 1HE2 GLN 14 -15.461 -1.919 10.893 127 H LEU 15 H LEU 15 -10.156 1.874 9.353 128 HA LEU 15 HA LEU 15 -8.471 1.036 11.513 129 HB2 LEU 15 1HB LEU 15 -8.179 2.739 9.091 130 HB3 LEU 15 2HB LEU 15 -6.955 2.863 10.336 131 HG LEU 15 HG LEU 15 -6.614 1.286 8.302 132 HD11 LEU 15 1HD1 LEU 15 -5.049 1.556 10.130 133 HD12 LEU 15 2HD1 LEU 15 -5.172 -0.155 9.679 134 HD13 LEU 15 3HD1 LEU 15 -5.993 0.435 11.145 135 HD21 LEU 15 3HD2 LEU 15 -8.125 -0.624 10.136 136 HD22 LEU 15 1HD2 LEU 15 -7.191 -1.063 8.697 137 HD23 LEU 15 2HD2 LEU 15 -8.654 -0.082 8.525 138 H LYS 16 H LYS 16 -10.425 3.932 11.097 139 HA LYS 16 HA LYS 16 -8.956 5.644 12.882 140 HB2 LYS 16 1HB LYS 16 -11.913 5.446 12.210 141 HB3 LYS 16 2HB LYS 16 -11.288 6.654 13.333 142 HG2 LYS 16 1HG LYS 16 -10.067 7.785 11.629 143 HG3 LYS 16 2HG LYS 16 -10.209 6.425 10.524 144 HD2 LYS 16 1HD LYS 16 -12.769 6.825 10.626 145 HD3 LYS 16 2HD LYS 16 -12.355 8.408 11.309 146 HE2 LYS 16 1HE LYS 16 -10.963 8.890 9.288 147 HE3 LYS 16 2HE LYS 16 -11.363 7.291 8.647 148 HZ1 LYS 16 3HZ LYS 16 -12.761 8.791 7.574 149 HZ2 LYS 16 1HZ LYS 16 -13.202 9.563 8.972 150 HZ3 LYS 16 2HZ LYS 16 -13.729 8.026 8.682 151 H GLN 17 H GLN 17 -11.405 3.122 13.359 152 HA GLN 17 HA GLN 17 -11.290 3.447 16.267 153 HB2 GLN 17 1HB GLN 17 -12.527 1.280 14.539 154 HB3 GLN 17 2HB GLN 17 -12.760 1.471 16.282 155 HG2 GLN 17 1HG GLN 17 -13.731 3.750 15.825 156 HG3 GLN 17 2HG GLN 17 -13.638 3.391 14.093 157 HE21 GLN 17 2HE2 GLN 17 -15.518 2.787 13.268 158 HE22 GLN 17 1HE2 GLN 17 -16.745 1.871 14.106 159 H ALA 18 H ALA 18 -10.002 1.127 13.822 160 HA ALA 18 HA ALA 18 -8.982 -0.707 15.722 161 HB1 ALA 18 3HB ALA 18 -7.741 -1.679 13.923 162 HB2 ALA 18 1HB ALA 18 -9.287 -1.102 13.257 163 HB3 ALA 18 2HB ALA 18 -7.791 -0.172 12.987 164 H LEU 19 H LEU 19 -7.358 2.213 14.352 165 HA LEU 19 HA LEU 19 -4.773 1.648 15.476 166 HB2 LEU 19 1HB LEU 19 -6.175 4.038 14.406 167 HB3 LEU 19 2HB LEU 19 -5.038 4.392 15.690 168 HG LEU 19 HG LEU 19 -3.300 3.082 14.291 169 HD11 LEU 19 1HD1 LEU 19 -4.702 2.100 12.602 170 HD12 LEU 19 2HD1 LEU 19 -3.694 3.342 11.818 171 HD13 LEU 19 3HD1 LEU 19 -5.402 3.682 12.183 172 HD21 LEU 19 3HD2 LEU 19 -2.738 5.122 13.019 173 HD22 LEU 19 1HD2 LEU 19 -3.221 5.505 14.684 174 HD23 LEU 19 2HD2 LEU 19 -4.364 5.774 13.343 175 H LYS 20 H LYS 20 -7.717 3.158 16.806 176 HA LYS 20 HA LYS 20 -6.300 3.879 19.274 177 HB2 LYS 20 1HB LYS 20 -9.068 4.336 18.181 178 HB3 LYS 20 2HB LYS 20 -8.785 4.479 19.921 179 HG2 LYS 20 1HG LYS 20 -8.425 6.660 19.259 180 HG3 LYS 20 2HG LYS 20 -6.780 6.011 19.234 181 HD2 LYS 20 1HD LYS 20 -7.257 5.523 16.705 182 HD3 LYS 20 2HD LYS 20 -8.623 6.627 16.911 183 HE2 LYS 20 1HE LYS 20 -6.808 7.932 16.085 184 HE3 LYS 20 2HE LYS 20 -6.965 8.332 17.809 185 HZ1 LYS 20 3HZ LYS 20 -4.649 7.939 17.195 186 HZ2 LYS 20 1HZ LYS 20 -5.001 6.424 16.650 187 HZ3 LYS 20 2HZ LYS 20 -5.144 6.772 18.254 188 H THR 21 H THR 21 -8.483 1.244 18.298 189 HA THR 21 HA THR 21 -9.071 0.495 21.021 190 HB THR 21 HB THR 21 -10.346 -0.228 18.875 191 HG1 THR 21 HG1 THR 21 -10.896 -2.223 19.949 192 HG21 THR 21 1HG2 THR 21 -8.400 -2.559 18.995 193 HG22 THR 21 2HG2 THR 21 -8.285 -1.264 17.783 194 HG23 THR 21 3HG2 THR 21 -9.726 -2.294 17.842 195 H ARG 22 H ARG 22 -6.256 0.140 19.045 196 HA ARG 22 HA ARG 22 -5.149 -2.073 20.586 197 HB2 ARG 22 1HB ARG 22 -4.548 -1.317 18.171 198 HB3 ARG 22 2HB ARG 22 -3.576 -0.068 18.950 199 HG2 ARG 22 1HG ARG 22 -1.979 -1.699 18.606 200 HG3 ARG 22 2HG ARG 22 -2.493 -2.121 20.237 201 HD2 ARG 22 1HD ARG 22 -3.423 -3.446 17.655 202 HD3 ARG 22 2HD ARG 22 -2.276 -4.123 18.814 203 HE ARG 22 HE ARG 22 -5.183 -4.057 19.023 204 HH11 ARG 22 1HH1 ARG 22 -2.195 -4.454 20.899 205 HH12 ARG 22 2HH1 ARG 22 -3.046 -5.214 22.219 206 HH21 ARG 22 1HH2 ARG 22 -6.164 -5.039 20.746 207 HH22 ARG 22 2HH2 ARG 22 -5.231 -5.548 22.127 208 H GLY 23 H GLY 23 -5.651 1.248 21.160 209 HA2 GLY 23 1HA GLY 23 -5.229 2.399 23.119 210 HA3 GLY 23 2HA GLY 23 -4.204 1.072 23.681 211 H VAL 24 H VAL 24 -2.746 1.307 20.973 212 HA VAL 24 HA VAL 24 -0.663 3.002 22.039 213 HB VAL 24 HB VAL 24 -0.767 1.810 19.233 214 HG11 VAL 24 1HG1 VAL 24 1.683 1.829 19.437 215 HG12 VAL 24 2HG1 VAL 24 1.061 3.458 19.760 216 HG13 VAL 24 3HG1 VAL 24 1.573 2.420 21.109 217 HG21 VAL 24 3HG2 VAL 24 0.068 0.472 21.851 218 HG22 VAL 24 1HG2 VAL 24 -1.242 -0.034 20.762 219 HG23 VAL 24 2HG2 VAL 24 0.441 -0.165 20.233 220 H LYS 25 H LYS 25 -0.398 5.122 21.709 221 HA LYS 25 HA LYS 25 -2.331 6.502 19.993 222 HB2 LYS 25 1HB LYS 25 -0.089 7.554 21.758 223 HB3 LYS 25 2HB LYS 25 -1.329 8.546 20.972 224 HG2 LYS 25 1HG LYS 25 -3.085 7.397 22.286 225 HG3 LYS 25 2HG LYS 25 -1.852 6.381 23.055 226 HD2 LYS 25 1HD LYS 25 -0.780 8.419 23.991 227 HD3 LYS 25 2HD LYS 25 -2.090 9.401 23.297 228 HE2 LYS 25 1HE LYS 25 -3.751 8.120 24.624 229 HE3 LYS 25 2HE LYS 25 -2.448 7.123 25.297 230 HZ1 LYS 25 3HZ LYS 25 -1.530 9.117 26.325 231 HZ2 LYS 25 1HZ LYS 25 -3.087 8.885 26.817 232 HZ3 LYS 25 2HZ LYS 25 -2.740 10.048 25.700 233 H VAL 26 H VAL 26 -1.627 5.718 17.924 234 HA VAL 26 HA VAL 26 0.934 6.943 16.979 235 HB VAL 26 HB VAL 26 -0.556 5.031 15.196 236 HG11 VAL 26 1HG1 VAL 26 1.560 6.020 14.435 237 HG12 VAL 26 2HG1 VAL 26 2.393 5.443 15.902 238 HG13 VAL 26 3HG1 VAL 26 1.787 4.285 14.699 239 HG21 VAL 26 3HG2 VAL 26 -0.754 3.801 17.282 240 HG22 VAL 26 1HG2 VAL 26 0.516 3.063 16.295 241 HG23 VAL 26 2HG2 VAL 26 0.962 4.107 17.659 242 H LYS 27 H LYS 27 0.957 8.040 14.993 243 HA LYS 27 HA LYS 27 -1.571 9.446 14.313 244 HB2 LYS 27 1HB LYS 27 0.704 10.594 14.605 245 HB3 LYS 27 2HB LYS 27 1.221 9.755 13.141 246 HG2 LYS 27 1HG LYS 27 -0.751 10.888 11.956 247 HG3 LYS 27 2HG LYS 27 -0.922 11.892 13.405 248 HD2 LYS 27 1HD LYS 27 1.593 11.660 11.696 249 HD3 LYS 27 2HD LYS 27 0.422 12.981 11.597 250 HE2 LYS 27 1HE LYS 27 1.305 14.048 13.391 251 HE3 LYS 27 2HE LYS 27 1.386 12.559 14.349 252 HZ1 LYS 27 3HZ LYS 27 3.403 11.967 13.050 253 HZ2 LYS 27 1HZ LYS 27 3.596 13.332 13.969 254 HZ3 LYS 27 2HZ LYS 27 3.367 13.458 12.341 255 H PHE 28 H PHE 28 -2.585 9.091 12.292 256 HA PHE 28 HA PHE 28 -2.434 6.562 11.132 257 HB2 PHE 28 1HB PHE 28 -3.678 9.147 10.536 258 HB3 PHE 28 2HB PHE 28 -3.267 8.257 9.066 259 HD1 PHE 28 HD2 PHE 28 -4.230 6.050 8.604 260 HD2 PHE 28 HD1 PHE 28 -5.435 8.373 12.013 261 HE1 PHE 28 HE2 PHE 28 -6.241 4.629 8.846 262 HE2 PHE 28 HE1 PHE 28 -7.466 6.966 12.254 263 HZ PHE 28 HZ PHE 28 -7.873 5.100 10.654 264 H ALA 29 H ALA 29 -0.965 9.557 9.783 265 HA ALA 29 HA ALA 29 0.056 8.335 7.465 266 HB1 ALA 29 3HB ALA 29 -0.112 10.780 7.780 267 HB2 ALA 29 1HB ALA 29 1.177 10.718 9.014 268 HB3 ALA 29 2HB ALA 29 1.538 10.303 7.321 269 H ASP 30 H ASP 30 1.507 8.585 10.717 270 HA ASP 30 HA ASP 30 4.062 7.529 9.812 271 HB2 ASP 30 1HB ASP 30 2.857 7.943 12.570 272 HB3 ASP 30 2HB ASP 30 4.494 7.324 12.294 273 H LEU 31 H LEU 31 1.068 6.208 11.224 274 HA LEU 31 HA LEU 31 2.176 3.636 11.833 275 HB2 LEU 31 1HB LEU 31 0.049 4.588 12.747 276 HB3 LEU 31 2HB LEU 31 -0.701 4.379 11.177 277 HG LEU 31 HG LEU 31 -1.143 2.702 13.127 278 HD11 LEU 31 1HD1 LEU 31 -1.638 0.933 11.545 279 HD12 LEU 31 2HD1 LEU 31 -0.553 1.660 10.340 280 HD13 LEU 31 3HD1 LEU 31 -2.031 2.505 10.836 281 HD21 LEU 31 3HD2 LEU 31 1.257 2.147 13.530 282 HD22 LEU 31 1HD2 LEU 31 1.307 1.380 11.922 283 HD23 LEU 31 2HD2 LEU 31 0.239 0.737 13.186 284 H LEU 32 H LEU 32 0.120 4.752 9.095 285 HA LEU 32 HA LEU 32 0.394 2.276 7.672 286 HB2 LEU 32 1HB LEU 32 -0.418 5.063 6.880 287 HB3 LEU 32 2HB LEU 32 -0.099 3.867 5.642 288 HG LEU 32 HG LEU 32 -2.433 3.927 5.972 289 HD11 LEU 32 1HD1 LEU 32 -3.022 1.686 6.514 290 HD12 LEU 32 2HD1 LEU 32 -1.554 1.463 7.488 291 HD13 LEU 32 3HD1 LEU 32 -1.435 1.648 5.722 292 HD21 LEU 32 3HD2 LEU 32 -2.404 4.987 8.129 293 HD22 LEU 32 1HD2 LEU 32 -1.929 3.452 8.892 294 HD23 LEU 32 2HD2 LEU 32 -3.516 3.604 8.079 295 H LYS 33 H LYS 33 2.619 4.950 7.964 296 HA LYS 33 HA LYS 33 4.055 4.360 5.533 297 HB2 LYS 33 1HB LYS 33 4.498 6.432 6.750 298 HB3 LYS 33 2HB LYS 33 5.103 5.520 8.136 299 HG2 LYS 33 1HG LYS 33 6.978 6.442 6.843 300 HG3 LYS 33 2HG LYS 33 6.998 4.679 6.802 301 HD2 LYS 33 1HD LYS 33 5.521 5.334 4.495 302 HD3 LYS 33 2HD LYS 33 6.731 6.617 4.565 303 HE2 LYS 33 1HE LYS 33 8.544 4.958 4.619 304 HE3 LYS 33 2HE LYS 33 7.372 3.636 4.745 305 HZ1 LYS 33 3HZ LYS 33 7.696 5.407 2.384 306 HZ2 LYS 33 1HZ LYS 33 6.562 4.215 2.511 307 HZ3 LYS 33 2HZ LYS 33 8.165 3.830 2.487 308 H PHE 34 H PHE 34 3.971 2.756 8.695 309 HA PHE 34 HA PHE 34 6.287 1.120 7.960 310 HB2 PHE 34 1HB PHE 34 4.409 1.179 10.279 311 HB3 PHE 34 2HB PHE 34 5.416 -0.243 9.983 312 HD1 PHE 34 HD1 PHE 34 5.566 3.443 10.536 313 HD2 PHE 34 HD2 PHE 34 7.741 -0.261 10.462 314 HE1 PHE 34 HE1 PHE 34 7.529 4.594 11.531 315 HE2 PHE 34 HE2 PHE 34 9.723 0.878 11.442 316 HZ PHE 34 HZ PHE 34 9.620 3.315 11.982 317 H PHE 35 H PHE 35 2.818 0.945 7.427 318 HA PHE 35 HA PHE 35 2.799 -1.878 6.666 319 HB2 PHE 35 1HB PHE 35 1.048 0.484 5.845 320 HB3 PHE 35 2HB PHE 35 0.814 -1.145 5.233 321 HD1 PHE 35 HD1 PHE 35 1.687 -0.347 8.840 322 HD2 PHE 35 HD2 PHE 35 -1.363 -1.497 6.028 323 HE1 PHE 35 HE1 PHE 35 0.156 -0.853 10.706 324 HE2 PHE 35 HE2 PHE 35 -2.911 -1.972 7.906 325 HZ PHE 35 HZ PHE 35 -2.150 -1.670 10.251 326 H ASP 36 H ASP 36 3.453 1.256 5.203 327 HA ASP 36 HA ASP 36 3.805 0.437 2.485 328 HB2 ASP 36 1HB ASP 36 3.651 2.788 3.842 329 HB3 ASP 36 2HB ASP 36 5.400 2.692 3.629 330 H PHE 37 H PHE 37 5.931 0.515 5.315 331 HA PHE 37 HA PHE 37 8.408 0.123 3.917 332 HB2 PHE 37 1HB PHE 37 8.229 0.978 6.236 333 HB3 PHE 37 2HB PHE 37 7.629 -0.594 6.767 334 HD1 PHE 37 HD1 PHE 37 10.606 1.106 5.271 335 HD2 PHE 37 HD2 PHE 37 9.108 -2.354 7.345 336 HE1 PHE 37 HE1 PHE 37 12.945 0.335 5.666 337 HE2 PHE 37 HE2 PHE 37 11.443 -3.132 7.744 338 HZ PHE 37 HZ PHE 37 13.366 -1.786 6.908 339 H VAL 38 H VAL 38 5.989 -2.182 5.273 340 HA VAL 38 HA VAL 38 7.695 -4.455 4.851 341 HB VAL 38 HB VAL 38 6.034 -5.737 5.645 342 HG11 VAL 38 1HG1 VAL 38 4.493 -3.203 6.023 343 HG12 VAL 38 2HG1 VAL 38 4.408 -4.675 7.002 344 HG13 VAL 38 3HG1 VAL 38 5.880 -3.687 7.029 345 HG21 VAL 38 3HG2 VAL 38 3.994 -4.358 3.864 346 HG22 VAL 38 1HG2 VAL 38 4.766 -5.940 3.578 347 HG23 VAL 38 2HG2 VAL 38 3.646 -5.734 4.933 348 H LYS 39 H LYS 39 5.637 -2.573 2.729 349 HA LYS 39 HA LYS 39 5.329 -4.580 0.753 350 HB2 LYS 39 1HB LYS 39 4.064 -2.400 0.889 351 HB3 LYS 39 2HB LYS 39 5.502 -1.584 0.261 352 HG2 LYS 39 1HG LYS 39 5.361 -2.921 -1.816 353 HG3 LYS 39 2HG LYS 39 3.937 -3.761 -1.167 354 HD2 LYS 39 1HD LYS 39 2.837 -1.515 -0.945 355 HD3 LYS 39 2HD LYS 39 4.184 -0.811 -1.842 356 HE2 LYS 39 1HE LYS 39 2.586 -3.145 -2.945 357 HE3 LYS 39 2HE LYS 39 2.021 -1.471 -3.124 358 HZ1 LYS 39 3HZ LYS 39 3.340 -2.229 -5.018 359 HZ2 LYS 39 1HZ LYS 39 4.663 -2.418 -4.046 360 HZ3 LYS 39 2HZ LYS 39 4.010 -0.913 -4.273 361 H ASP 40 H ASP 40 7.853 -2.206 1.387 362 HA ASP 40 HA ASP 40 9.362 -2.608 -1.026 363 HB2 ASP 40 1HB ASP 40 9.518 -0.619 0.465 364 HB3 ASP 40 2HB ASP 40 10.238 -1.632 1.723 365 H THR 41 H THR 41 9.867 -3.807 2.343 366 HA THR 41 HA THR 41 12.115 -5.431 1.552 367 HB THR 41 HB THR 41 10.495 -5.984 4.040 368 HG1 THR 41 HG1 THR 41 11.954 -3.638 3.394 369 HG21 THR 41 1HG2 THR 41 12.572 -7.238 3.669 370 HG22 THR 41 2HG2 THR 41 12.760 -6.113 5.030 371 HG23 THR 41 3HG2 THR 41 13.468 -5.715 3.451 372 H CYS 42 H CYS 42 8.665 -6.015 1.775 373 HA CYS 42 HA CYS 42 9.127 -8.884 1.063 374 HB2 CYS 42 1HB CYS 42 6.765 -7.751 2.596 375 HB3 CYS 42 2HB CYS 42 7.129 -9.452 2.302 376 HG CYS 42 HG CYS 42 8.902 -7.262 3.994 377 HA PRO 43 HA PRO 43 6.568 -6.741 -2.154 378 HB2 PRO 43 1HB PRO 43 7.749 -7.779 -4.391 379 HB3 PRO 43 2HB PRO 43 8.414 -6.355 -3.525 380 HG2 PRO 43 1HG PRO 43 9.216 -9.252 -3.281 381 HG3 PRO 43 2HG PRO 43 10.254 -7.816 -3.559 382 HD2 PRO 43 1HD PRO 43 9.919 -8.869 -1.089 383 HD3 PRO 43 2HD PRO 43 10.040 -7.088 -1.339 384 H TRP 44 H TRP 44 7.497 -9.999 -1.446 385 HA TRP 44 HA TRP 44 5.449 -11.282 -3.042 386 HB2 TRP 44 1HB TRP 44 6.155 -13.198 -1.372 387 HB3 TRP 44 2HB TRP 44 7.176 -12.713 -2.736 388 HD1 TRP 44 HD1 TRP 44 6.813 -11.845 0.987 389 HE1 TRP 44 HE1 TRP 44 9.107 -11.307 2.002 390 HE3 TRP 44 HE3 TRP 44 9.526 -12.200 -3.298 391 HZ2 TRP 44 HZ2 TRP 44 11.773 -11.001 1.028 392 HZ3 TRP 44 HZ3 TRP 44 11.988 -11.748 -3.214 393 HH2 TRP 44 HH2 TRP 44 13.087 -11.144 -1.056 394 H PHE 45 H PHE 45 5.374 -9.575 -0.040 395 HA PHE 45 HA PHE 45 3.305 -11.207 1.177 396 HB2 PHE 45 1HB PHE 45 4.665 -9.717 2.543 397 HB3 PHE 45 2HB PHE 45 4.044 -8.309 1.682 398 HD1 PHE 45 HD1 PHE 45 3.160 -11.033 4.046 399 HD2 PHE 45 HD2 PHE 45 1.854 -7.396 2.152 400 HE1 PHE 45 HE1 PHE 45 1.253 -10.885 5.641 401 HE2 PHE 45 HE2 PHE 45 -0.070 -7.264 3.723 402 HZ PHE 45 HZ PHE 45 -0.371 -9.005 5.476 403 HA PRO 46 HA PRO 46 0.139 -8.314 -0.581 404 HB2 PRO 46 1HB PRO 46 0.610 -6.623 -2.664 405 HB3 PRO 46 2HB PRO 46 0.863 -6.126 -0.959 406 HG2 PRO 46 1HG PRO 46 2.875 -7.162 -2.932 407 HG3 PRO 46 2HG PRO 46 2.930 -5.667 -1.944 408 HD2 PRO 46 1HD PRO 46 4.180 -7.899 -1.137 409 HD3 PRO 46 2HD PRO 46 3.322 -6.857 0.042 410 H GLN 47 H GLN 47 2.635 -9.752 -2.555 411 HA GLN 47 HA GLN 47 1.123 -10.309 -4.906 412 HB2 GLN 47 1HB GLN 47 3.616 -10.480 -4.588 413 HB3 GLN 47 2HB GLN 47 3.343 -11.960 -3.663 414 HG2 GLN 47 1HG GLN 47 2.375 -13.045 -5.618 415 HG3 GLN 47 2HG GLN 47 2.546 -11.550 -6.552 416 HE21 GLN 47 2HE2 GLN 47 4.032 -12.056 -8.052 417 HE22 GLN 47 1HE2 GLN 47 5.630 -12.666 -7.695 418 H GLU 48 H GLU 48 1.331 -11.985 -1.745 419 HA GLU 48 HA GLU 48 -0.122 -14.323 -2.682 420 HB2 GLU 48 1HB GLU 48 0.332 -13.216 0.117 421 HB3 GLU 48 2HB GLU 48 -0.508 -14.729 -0.234 422 HG2 GLU 48 1HG GLU 48 1.624 -15.436 -1.489 423 HG3 GLU 48 2HG GLU 48 2.408 -14.076 -0.671 424 H GLY 49 H GLY 49 -1.021 -11.102 -1.752 425 HA2 GLY 49 1HA GLY 49 -3.047 -10.055 -1.606 426 HA3 GLY 49 2HA GLY 49 -3.651 -11.325 -2.665 427 H THR 50 H THR 50 -2.444 -12.275 0.456 428 HA THR 50 HA THR 50 -5.254 -12.583 1.427 429 HB THR 50 HB THR 50 -3.033 -14.653 1.713 430 HG1 THR 50 HG1 THR 50 -3.896 -14.358 -0.478 431 HG21 THR 50 1HG2 THR 50 -6.002 -14.618 2.387 432 HG22 THR 50 2HG2 THR 50 -4.631 -14.864 3.503 433 HG23 THR 50 3HG2 THR 50 -5.043 -16.106 2.294 434 H ILE 51 H ILE 51 -5.574 -12.013 3.517 435 HA ILE 51 HA ILE 51 -3.112 -11.303 5.068 436 HB ILE 51 HB ILE 51 -5.971 -10.374 5.436 437 HG12 ILE 51 1HG1 ILE 51 -4.964 -9.396 3.446 438 HG13 ILE 51 2HG1 ILE 51 -5.214 -8.228 4.718 439 HG21 ILE 51 1HG2 ILE 51 -4.832 -10.432 7.609 440 HG22 ILE 51 2HG2 ILE 51 -3.404 -9.615 6.935 441 HG23 ILE 51 3HG2 ILE 51 -4.952 -8.748 7.076 442 HD11 ILE 51 3HD1 ILE 51 -2.856 -8.157 5.223 443 HD12 ILE 51 1HD1 ILE 51 -2.543 -9.443 4.025 444 HD13 ILE 51 2HD1 ILE 51 -3.138 -7.858 3.500 445 H ASP 52 H ASP 52 -2.517 -12.758 6.347 446 HA ASP 52 HA ASP 52 -4.393 -13.777 8.370 447 HB2 ASP 52 1HB ASP 52 -4.394 -15.559 6.592 448 HB3 ASP 52 2HB ASP 52 -2.635 -15.676 6.792 449 H ILE 53 H ILE 53 -3.173 -14.734 10.172 450 HA ILE 53 HA ILE 53 -0.888 -13.097 10.699 451 HB ILE 53 HB ILE 53 -2.547 -13.973 12.372 452 HG12 ILE 53 1HG1 ILE 53 -0.840 -14.396 14.165 453 HG13 ILE 53 2HG1 ILE 53 0.387 -14.533 12.912 454 HG21 ILE 53 1HG2 ILE 53 -0.906 -16.529 12.248 455 HG22 ILE 53 2HG2 ILE 53 -2.270 -16.177 13.337 456 HG23 ILE 53 3HG2 ILE 53 -2.560 -16.349 11.594 457 HD11 ILE 53 3HD1 ILE 53 -1.208 -12.051 13.499 458 HD12 ILE 53 1HD1 ILE 53 0.442 -12.372 14.040 459 HD13 ILE 53 2HD1 ILE 53 0.101 -12.196 12.313 460 H LYS 54 H LYS 54 -1.267 -16.368 9.391 461 HA LYS 54 HA LYS 54 1.477 -17.155 9.858 462 HB2 LYS 54 1HB LYS 54 -0.505 -18.013 7.714 463 HB3 LYS 54 2HB LYS 54 1.036 -18.818 8.036 464 HG2 LYS 54 1HG LYS 54 0.304 -19.494 10.244 465 HG3 LYS 54 2HG LYS 54 -1.153 -18.494 10.117 466 HD2 LYS 54 1HD LYS 54 -1.874 -19.874 8.158 467 HD3 LYS 54 2HD LYS 54 -0.511 -20.969 8.483 468 HE2 LYS 54 1HE LYS 54 -1.400 -21.419 10.736 469 HE3 LYS 54 2HE LYS 54 -2.704 -20.240 10.474 470 HZ1 LYS 54 3HZ LYS 54 -3.468 -22.494 10.097 471 HZ2 LYS 54 1HZ LYS 54 -2.334 -22.738 8.923 472 HZ3 LYS 54 2HZ LYS 54 -3.539 -21.634 8.693 473 H ARG 55 H ARG 55 -0.157 -15.302 7.298 474 HA ARG 55 HA ARG 55 2.191 -15.137 5.576 475 HB2 ARG 55 1HB ARG 55 -0.505 -13.833 5.721 476 HB3 ARG 55 2HB ARG 55 0.789 -12.898 4.975 477 HG2 ARG 55 1HG ARG 55 0.130 -13.927 3.105 478 HG3 ARG 55 2HG ARG 55 1.182 -15.219 3.699 479 HD2 ARG 55 1HD ARG 55 -0.836 -16.266 4.782 480 HD3 ARG 55 2HD ARG 55 -1.834 -15.023 3.986 481 HE ARG 55 HE ARG 55 -0.117 -16.247 2.050 482 HH11 ARG 55 1HH1 ARG 55 -3.001 -17.093 3.927 483 HH12 ARG 55 2HH1 ARG 55 -3.547 -18.219 2.714 484 HH21 ARG 55 1HH2 ARG 55 -0.852 -17.644 0.602 485 HH22 ARG 55 2HH2 ARG 55 -2.354 -18.518 0.835 486 H TRP 56 H TRP 56 0.786 -13.229 8.231 487 HA TRP 56 HA TRP 56 2.643 -11.075 8.003 488 HB2 TRP 56 1HB TRP 56 0.422 -11.183 9.261 489 HB3 TRP 56 2HB TRP 56 1.327 -11.958 10.569 490 HD1 TRP 56 HD1 TRP 56 2.307 -10.289 12.281 491 HE1 TRP 56 HE1 TRP 56 2.919 -7.818 12.385 492 HE3 TRP 56 HE3 TRP 56 1.292 -9.128 7.414 493 HZ2 TRP 56 HZ2 TRP 56 3.006 -5.625 10.565 494 HZ3 TRP 56 HZ3 TRP 56 1.690 -6.790 6.629 495 HH2 TRP 56 HH2 TRP 56 2.523 -5.051 8.210 496 H ARG 57 H ARG 57 2.951 -14.257 9.557 497 HA ARG 57 HA ARG 57 5.156 -13.645 11.272 498 HB2 ARG 57 1HB ARG 57 4.982 -16.211 9.660 499 HB3 ARG 57 2HB ARG 57 5.816 -15.950 11.184 500 HG2 ARG 57 1HG ARG 57 2.848 -16.169 10.726 501 HG3 ARG 57 2HG ARG 57 3.876 -17.313 11.558 502 HD2 ARG 57 1HD ARG 57 4.285 -15.463 13.242 503 HD3 ARG 57 2HD ARG 57 2.951 -14.586 12.480 504 HE ARG 57 HE ARG 57 2.153 -17.255 13.151 505 HH11 ARG 57 1HH1 ARG 57 2.757 -14.150 14.714 506 HH12 ARG 57 2HH1 ARG 57 1.596 -14.467 15.984 507 HH21 ARG 57 1HH2 ARG 57 0.696 -17.572 14.839 508 HH22 ARG 57 2HH2 ARG 57 0.449 -16.326 16.039 509 H ARG 58 H ARG 58 5.026 -14.618 7.855 510 HA ARG 58 HA ARG 58 7.782 -14.698 7.313 511 HB2 ARG 58 1HB ARG 58 5.455 -13.928 5.522 512 HB3 ARG 58 2HB ARG 58 7.098 -14.172 4.939 513 HG2 ARG 58 1HG ARG 58 7.070 -16.484 5.620 514 HG3 ARG 58 2HG ARG 58 5.465 -16.296 6.360 515 HD2 ARG 58 1HD ARG 58 4.414 -15.954 4.249 516 HD3 ARG 58 2HD ARG 58 5.967 -15.669 3.436 517 HE ARG 58 HE ARG 58 6.133 -18.244 4.484 518 HH11 ARG 58 1HH1 ARG 58 4.039 -16.631 2.102 519 HH12 ARG 58 2HH1 ARG 58 3.843 -18.097 1.184 520 HH21 ARG 58 1HH2 ARG 58 5.809 -20.051 3.243 521 HH22 ARG 58 2HH2 ARG 58 4.810 -19.985 1.817 522 H VAL 59 H VAL 59 5.700 -11.852 7.563 523 HA VAL 59 HA VAL 59 7.479 -10.065 6.182 524 HB VAL 59 HB VAL 59 5.430 -9.519 8.378 525 HG11 VAL 59 1HG1 VAL 59 6.827 -7.633 6.462 526 HG12 VAL 59 2HG1 VAL 59 5.415 -7.205 7.461 527 HG13 VAL 59 3HG1 VAL 59 6.948 -7.649 8.233 528 HG21 VAL 59 3HG2 VAL 59 4.425 -10.557 6.458 529 HG22 VAL 59 1HG2 VAL 59 4.001 -8.837 6.479 530 HG23 VAL 59 2HG2 VAL 59 5.258 -9.427 5.364 531 H GLY 60 H GLY 60 7.145 -11.099 9.576 532 HA2 GLY 60 1HA GLY 60 9.206 -9.255 10.456 533 HA3 GLY 60 2HA GLY 60 8.438 -10.546 11.402 534 H ASP 61 H ASP 61 8.986 -12.653 9.510 535 HA ASP 61 HA ASP 61 11.615 -13.449 10.283 536 HB2 ASP 61 1HB ASP 61 9.944 -14.349 7.893 537 HB3 ASP 61 2HB ASP 61 11.350 -15.203 8.538 538 H CYS 62 H CYS 62 10.275 -11.833 7.411 539 HA CYS 62 HA CYS 62 12.646 -11.771 5.834 540 HB2 CYS 62 1HB CYS 62 10.115 -11.143 5.361 541 HB3 CYS 62 2HB CYS 62 10.639 -9.529 5.822 542 HG CYS 62 HG CYS 62 10.597 -9.448 3.335 543 H PHE 63 H PHE 63 11.302 -9.411 8.203 544 HA PHE 63 HA PHE 63 13.361 -7.461 7.765 545 HB2 PHE 63 1HB PHE 63 11.793 -8.037 10.306 546 HB3 PHE 63 2HB PHE 63 12.779 -6.607 10.021 547 HD1 PHE 63 HD1 PHE 63 11.880 -6.216 7.025 548 HD2 PHE 63 HD2 PHE 63 9.739 -6.846 10.709 549 HE1 PHE 63 HE1 PHE 63 9.923 -5.010 6.088 550 HE2 PHE 63 HE2 PHE 63 7.782 -5.626 9.774 551 HZ PHE 63 HZ PHE 63 7.873 -4.709 7.461 552 H GLN 64 H GLN 64 13.114 -10.332 9.880 553 HA GLN 64 HA GLN 64 15.523 -9.767 11.339 554 HB2 GLN 64 1HB GLN 64 13.794 -11.391 12.073 555 HB3 GLN 64 2HB GLN 64 14.225 -12.440 10.717 556 HG2 GLN 64 1HG GLN 64 15.277 -13.243 12.768 557 HG3 GLN 64 2HG GLN 64 16.507 -12.704 11.611 558 HE21 GLN 64 2HE2 GLN 64 18.054 -11.443 12.390 559 HE22 GLN 64 1HE2 GLN 64 17.943 -10.474 13.842 560 H ASP 65 H ASP 65 14.863 -11.643 8.357 561 HA ASP 65 HA ASP 65 17.495 -12.696 8.116 562 HB2 ASP 65 1HB ASP 65 15.292 -13.253 6.855 563 HB3 ASP 65 2HB ASP 65 15.754 -11.952 5.754 564 H TYR 66 H TYR 66 15.949 -9.774 6.751 565 HA TYR 66 HA TYR 66 18.287 -8.818 5.409 566 HB2 TYR 66 1HB TYR 66 15.718 -8.123 5.395 567 HB3 TYR 66 2HB TYR 66 16.262 -6.923 6.556 568 HD1 TYR 66 HD1 TYR 66 18.752 -5.832 5.591 569 HD2 TYR 66 HD2 TYR 66 15.455 -7.316 3.251 570 HE1 TYR 66 HE1 TYR 66 19.487 -4.457 3.651 571 HE2 TYR 66 HE2 TYR 66 16.187 -5.893 1.337 572 HH TYR 66 HH TYR 66 17.721 -4.385 0.568 573 H PHE 67 H PHE 67 17.065 -8.392 8.742 574 HA PHE 67 HA PHE 67 19.010 -6.420 9.538 575 HB2 PHE 67 1HB PHE 67 16.889 -6.944 10.735 576 HB3 PHE 67 2HB PHE 67 17.567 -8.498 11.226 577 HD1 PHE 67 HD2 PHE 67 19.569 -8.533 12.791 578 HD2 PHE 67 HD1 PHE 67 17.368 -4.944 11.915 579 HE1 PHE 67 HE2 PHE 67 20.532 -7.452 14.816 580 HE2 PHE 67 HE1 PHE 67 18.304 -3.864 13.939 581 HZ PHE 67 HZ PHE 67 19.898 -5.113 15.399 582 H ASN 68 H ASN 68 19.090 -10.019 9.532 583 HA ASN 68 HA ASN 68 21.592 -10.041 11.026 584 HB2 ASN 68 1HB ASN 68 21.187 -12.223 11.198 585 HB3 ASN 68 2HB ASN 68 19.665 -11.949 10.357 586 HD21 ASN 68 2HD2 ASN 68 19.398 -12.754 8.327 587 HD22 ASN 68 1HD2 ASN 68 20.603 -13.710 7.508 588 H THR 69 H THR 69 20.642 -10.051 7.643 589 HA THR 69 HA THR 69 23.233 -10.559 6.549 590 HB THR 69 HB THR 69 20.918 -8.975 5.316 591 HG1 THR 69 HG1 THR 69 20.215 -11.036 5.906 592 HG21 THR 69 1HG2 THR 69 23.248 -10.486 4.067 593 HG22 THR 69 2HG2 THR 69 22.969 -8.729 4.002 594 HG23 THR 69 3HG2 THR 69 21.855 -9.838 3.173 595 H PHE 70 H PHE 70 21.578 -7.453 7.338 596 HA PHE 70 HA PHE 70 24.157 -6.096 6.657 597 HB2 PHE 70 1HB PHE 70 21.713 -5.955 5.364 598 HB3 PHE 70 2HB PHE 70 21.779 -4.488 6.323 599 HD1 PHE 70 HD1 PHE 70 23.723 -2.879 6.017 600 HD2 PHE 70 HD2 PHE 70 23.082 -6.267 3.452 601 HE1 PHE 70 HE1 PHE 70 25.242 -1.865 4.325 602 HE2 PHE 70 HE2 PHE 70 24.602 -5.266 1.741 603 HZ PHE 70 HZ PHE 70 25.687 -3.059 2.177 604 H GLY 71 H GLY 71 22.267 -6.644 9.342 605 HA2 GLY 71 1HA GLY 71 22.653 -5.765 11.426 606 HA3 GLY 71 2HA GLY 71 23.685 -4.529 10.716 607 HA PRO 72 HA PRO 72 19.690 -2.698 12.378 608 HB2 PRO 72 1HB PRO 72 20.767 -1.129 14.335 609 HB3 PRO 72 2HB PRO 72 20.402 -2.863 14.596 610 HG2 PRO 72 1HG PRO 72 23.012 -1.585 13.845 611 HG3 PRO 72 2HG PRO 72 22.662 -2.737 15.173 612 HD2 PRO 72 1HD PRO 72 23.678 -3.571 12.822 613 HD3 PRO 72 2HD PRO 72 22.443 -4.548 13.695 614 H GLU 73 H GLU 73 22.718 -1.520 11.190 615 HA GLU 73 HA GLU 73 22.004 1.270 10.977 616 HB2 GLU 73 1HB GLU 73 23.984 -0.321 9.301 617 HB3 GLU 73 2HB GLU 73 23.964 1.428 9.556 618 HG2 GLU 73 1HG GLU 73 24.605 -0.736 11.591 619 HG3 GLU 73 2HG GLU 73 25.720 0.454 10.904 620 H LYS 74 H LYS 74 21.050 -1.576 9.372 621 HA LYS 74 HA LYS 74 20.212 -0.059 6.945 622 HB2 LYS 74 1HB LYS 74 21.710 -2.139 6.835 623 HB3 LYS 74 2HB LYS 74 20.284 -3.056 7.319 624 HG2 LYS 74 1HG LYS 74 20.387 -3.235 4.996 625 HG3 LYS 74 2HG LYS 74 19.113 -2.041 5.281 626 HD2 LYS 74 1HD LYS 74 20.669 -0.229 4.761 627 HD3 LYS 74 2HD LYS 74 22.014 -1.384 4.651 628 HE2 LYS 74 1HE LYS 74 20.836 -2.532 2.780 629 HE3 LYS 74 2HE LYS 74 19.578 -1.277 2.838 630 HZ1 LYS 74 3HZ LYS 74 21.306 0.363 2.379 631 HZ2 LYS 74 1HZ LYS 74 21.255 -0.773 1.182 632 HZ3 LYS 74 2HZ LYS 74 22.458 -0.817 2.311 633 H VAL 75 H VAL 75 19.043 -2.452 9.374 634 HA VAL 75 HA VAL 75 16.264 -1.643 8.571 635 HB VAL 75 HB VAL 75 17.229 -4.201 9.945 636 HG11 VAL 75 1HG1 VAL 75 14.949 -3.601 10.676 637 HG12 VAL 75 2HG1 VAL 75 14.437 -3.420 8.978 638 HG13 VAL 75 3HG1 VAL 75 14.901 -5.018 9.609 639 HG21 VAL 75 3HG2 VAL 75 16.251 -3.732 7.105 640 HG22 VAL 75 1HG2 VAL 75 17.886 -4.225 7.612 641 HG23 VAL 75 2HG2 VAL 75 16.522 -5.323 7.850 642 HA PRO 76 HA PRO 76 16.606 -0.046 12.677 643 HB2 PRO 76 1HB PRO 76 14.169 1.068 13.070 644 HB3 PRO 76 2HB PRO 76 15.348 1.770 11.935 645 HG2 PRO 76 1HG PRO 76 13.007 0.005 11.354 646 HG3 PRO 76 2HG PRO 76 13.501 1.520 10.545 647 HD2 PRO 76 1HD PRO 76 14.096 -0.974 9.565 648 HD3 PRO 76 2HD PRO 76 15.157 0.456 9.309 649 H VAL 77 H VAL 77 16.112 -0.729 14.785 650 HA VAL 77 HA VAL 77 14.770 -3.240 15.064 651 HB VAL 77 HB VAL 77 15.001 -2.869 17.513 652 HG11 VAL 77 1HG1 VAL 77 16.872 -3.798 16.164 653 HG12 VAL 77 2HG1 VAL 77 17.513 -2.154 15.927 654 HG13 VAL 77 3HG1 VAL 77 17.454 -2.863 17.557 655 HG21 VAL 77 3HG2 VAL 77 16.173 -0.155 16.734 656 HG22 VAL 77 1HG2 VAL 77 14.621 -0.412 17.571 657 HG23 VAL 77 2HG2 VAL 77 16.143 -0.858 18.361 658 H THR 78 H THR 78 13.575 0.025 14.974 659 HA THR 78 HA THR 78 11.157 -0.537 16.459 660 HB THR 78 HB THR 78 12.130 1.800 15.947 661 HG1 THR 78 HG1 THR 78 10.094 2.645 16.192 662 HG21 THR 78 1HG2 THR 78 11.410 2.952 14.022 663 HG22 THR 78 2HG2 THR 78 10.351 1.615 13.536 664 HG23 THR 78 3HG2 THR 78 12.113 1.439 13.426 665 H ALA 79 H ALA 79 12.220 -1.309 13.214 666 HA ALA 79 HA ALA 79 9.606 -1.389 12.018 667 HB1 ALA 79 3HB ALA 79 12.106 -3.038 11.455 668 HB2 ALA 79 1HB ALA 79 10.659 -2.986 10.418 669 HB3 ALA 79 2HB ALA 79 11.631 -1.519 10.663 670 H PHE 80 H PHE 80 11.466 -3.680 14.015 671 HA PHE 80 HA PHE 80 9.548 -5.827 13.792 672 HB2 PHE 80 1HB PHE 80 11.592 -5.238 15.967 673 HB3 PHE 80 2HB PHE 80 10.751 -6.772 15.724 674 HD1 PHE 80 HD2 PHE 80 13.343 -4.493 14.394 675 HD2 PHE 80 HD1 PHE 80 11.414 -8.308 13.960 676 HE1 PHE 80 HE2 PHE 80 15.162 -5.218 12.874 677 HE2 PHE 80 HE1 PHE 80 13.235 -9.059 12.450 678 HZ PHE 80 HZ PHE 80 15.112 -7.515 11.894 679 H SER 81 H SER 81 9.946 -3.033 15.916 680 HA SER 81 HA SER 81 8.065 -3.902 17.929 681 HB2 SER 81 1HB SER 81 9.775 -2.134 18.310 682 HB3 SER 81 2HB SER 81 8.918 -1.077 17.168 683 HG SER 81 HG SER 81 8.388 -0.755 19.427 684 H TYR 82 H TYR 82 7.857 -1.753 15.073 685 HA TYR 82 HA TYR 82 5.055 -1.210 15.299 686 HB2 TYR 82 1HB TYR 82 7.166 -1.023 13.193 687 HB3 TYR 82 2HB TYR 82 5.489 -1.088 12.637 688 HD1 TYR 82 HD1 TYR 82 7.963 0.935 14.554 689 HD2 TYR 82 HD2 TYR 82 3.912 0.667 13.106 690 HE1 TYR 82 HE1 TYR 82 7.627 3.342 15.065 691 HE2 TYR 82 HE2 TYR 82 3.586 3.112 13.599 692 HH TYR 82 HH TYR 82 6.173 5.112 15.035 693 H TRP 83 H TRP 83 6.925 -3.758 13.632 694 HA TRP 83 HA TRP 83 4.775 -4.982 12.295 695 HB2 TRP 83 1HB TRP 83 7.129 -5.549 11.906 696 HB3 TRP 83 2HB TRP 83 7.289 -6.147 13.546 697 HD1 TRP 83 HD1 TRP 83 5.541 -7.126 10.256 698 HE1 TRP 83 HE1 TRP 83 5.157 -9.643 10.207 699 HE3 TRP 83 HE3 TRP 83 7.141 -8.185 15.002 700 HZ2 TRP 83 HZ2 TRP 83 5.574 -11.834 11.958 701 HZ3 TRP 83 HZ3 TRP 83 7.180 -10.565 15.746 702 HH2 TRP 83 HH2 TRP 83 6.402 -12.377 14.217 703 H ASN 84 H ASN 84 5.954 -5.397 15.634 704 HA ASN 84 HA ASN 84 4.286 -7.619 16.279 705 HB2 ASN 84 1HB ASN 84 5.905 -5.635 17.793 706 HB3 ASN 84 2HB ASN 84 4.627 -6.471 18.685 707 HD21 ASN 84 2HD2 ASN 84 7.772 -6.698 17.385 708 HD22 ASN 84 1HD2 ASN 84 8.045 -8.378 17.795 709 H LEU 85 H LEU 85 3.622 -4.150 16.217 710 HA LEU 85 HA LEU 85 1.290 -4.176 17.886 711 HB2 LEU 85 1HB LEU 85 2.627 -2.201 17.107 712 HB3 LEU 85 2HB LEU 85 1.939 -2.390 15.509 713 HG LEU 85 HG LEU 85 0.204 -1.833 17.920 714 HD11 LEU 85 1HD1 LEU 85 1.629 0.154 16.100 715 HD12 LEU 85 2HD1 LEU 85 1.974 -0.133 17.823 716 HD13 LEU 85 3HD1 LEU 85 0.415 0.563 17.337 717 HD21 LEU 85 3HD2 LEU 85 -1.247 -0.727 16.182 718 HD22 LEU 85 1HD2 LEU 85 -1.071 -2.469 15.932 719 HD23 LEU 85 2HD2 LEU 85 -0.145 -1.335 14.924 720 H ILE 86 H ILE 86 1.776 -4.686 14.373 721 HA ILE 86 HA ILE 86 -1.099 -5.080 13.983 722 HB ILE 86 HB ILE 86 1.192 -5.616 12.072 723 HG12 ILE 86 1HG1 ILE 86 -0.369 -3.373 11.299 724 HG13 ILE 86 2HG1 ILE 86 -0.021 -3.152 13.012 725 HG21 ILE 86 1HG2 ILE 86 -1.828 -5.414 11.680 726 HG22 ILE 86 2HG2 ILE 86 -0.632 -5.433 10.349 727 HG23 ILE 86 3HG2 ILE 86 -0.798 -6.836 11.414 728 HD11 ILE 86 3HD1 ILE 86 1.923 -3.447 10.724 729 HD12 ILE 86 1HD1 ILE 86 1.756 -2.106 11.881 730 HD13 ILE 86 2HD1 ILE 86 2.413 -3.664 12.419 731 H LYS 87 H LYS 87 1.785 -7.004 14.574 732 HA LYS 87 HA LYS 87 0.860 -9.538 13.741 733 HB2 LYS 87 1HB LYS 87 3.179 -8.933 14.550 734 HB3 LYS 87 2HB LYS 87 2.534 -8.897 16.187 735 HG2 LYS 87 1HG LYS 87 1.828 -11.340 15.749 736 HG3 LYS 87 2HG LYS 87 2.964 -11.244 14.383 737 HD2 LYS 87 1HD LYS 87 4.466 -11.879 16.009 738 HD3 LYS 87 2HD LYS 87 4.504 -10.139 16.294 739 HE2 LYS 87 1HE LYS 87 2.746 -10.393 18.046 740 HE3 LYS 87 2HE LYS 87 2.775 -12.151 17.798 741 HZ1 LYS 87 3HZ LYS 87 5.063 -10.490 18.704 742 HZ2 LYS 87 1HZ LYS 87 5.113 -12.125 18.471 743 HZ3 LYS 87 2HZ LYS 87 4.164 -11.491 19.663 744 H GLU 88 H GLU 88 0.567 -7.984 16.995 745 HA GLU 88 HA GLU 88 -0.977 -10.178 18.035 746 HB2 GLU 88 1HB GLU 88 -1.425 -8.715 19.916 747 HB3 GLU 88 2HB GLU 88 0.275 -8.597 19.438 748 HG2 GLU 88 1HG GLU 88 -0.231 -6.496 18.228 749 HG3 GLU 88 2HG GLU 88 -1.909 -6.593 18.772 750 H LEU 89 H LEU 89 -1.878 -7.461 16.012 751 HA LEU 89 HA LEU 89 -4.614 -7.416 16.808 752 HB2 LEU 89 1HB LEU 89 -3.365 -5.458 16.121 753 HB3 LEU 89 2HB LEU 89 -2.977 -6.216 14.585 754 HG LEU 89 HG LEU 89 -5.269 -6.239 13.982 755 HD11 LEU 89 1HD1 LEU 89 -6.902 -4.746 15.220 756 HD12 LEU 89 2HD1 LEU 89 -5.715 -4.645 16.537 757 HD13 LEU 89 3HD1 LEU 89 -6.451 -6.210 16.112 758 HD21 LEU 89 3HD2 LEU 89 -3.800 -4.427 13.253 759 HD22 LEU 89 1HD2 LEU 89 -4.151 -3.514 14.740 760 HD23 LEU 89 2HD2 LEU 89 -5.429 -3.781 13.533 761 H ILE 90 H ILE 90 -2.756 -8.738 14.005 762 HA ILE 90 HA ILE 90 -5.173 -9.814 12.752 763 HB ILE 90 HB ILE 90 -2.272 -10.699 12.324 764 HG12 ILE 90 1HG1 ILE 90 -3.853 -8.785 10.588 765 HG13 ILE 90 2HG1 ILE 90 -2.727 -8.244 11.836 766 HG21 ILE 90 1HG2 ILE 90 -4.016 -12.323 11.482 767 HG22 ILE 90 2HG2 ILE 90 -4.728 -11.016 10.510 768 HG23 ILE 90 3HG2 ILE 90 -3.090 -11.605 10.161 769 HD11 ILE 90 3HD1 ILE 90 -1.547 -8.231 9.710 770 HD12 ILE 90 1HD1 ILE 90 -0.894 -9.559 10.694 771 HD13 ILE 90 2HD1 ILE 90 -2.026 -9.906 9.367 772 H ASP 91 H ASP 91 -2.710 -10.922 15.045 773 HA ASP 91 HA ASP 91 -3.196 -13.712 15.024 774 HB2 ASP 91 1HB ASP 91 -1.328 -12.464 16.165 775 HB3 ASP 91 2HB ASP 91 -2.474 -11.963 17.413 776 H LYS 92 H LYS 92 -5.016 -11.073 16.462 777 HA LYS 92 HA LYS 92 -6.933 -13.085 17.578 778 HB2 LYS 92 1HB LYS 92 -6.197 -10.386 18.699 779 HB3 LYS 92 2HB LYS 92 -7.420 -11.509 19.342 780 HG2 LYS 92 1HG LYS 92 -5.545 -13.261 19.336 781 HG3 LYS 92 2HG LYS 92 -4.432 -11.891 19.149 782 HD2 LYS 92 1HD LYS 92 -5.216 -10.938 21.198 783 HD3 LYS 92 2HD LYS 92 -6.479 -12.187 21.318 784 HE2 LYS 92 1HE LYS 92 -4.454 -12.653 22.759 785 HE3 LYS 92 2HE LYS 92 -4.853 -13.938 21.604 786 HZ1 LYS 92 3HZ LYS 92 -2.459 -13.392 21.692 787 HZ2 LYS 92 1HZ LYS 92 -2.777 -11.890 21.086 788 HZ3 LYS 92 2HZ LYS 92 -3.089 -13.238 20.175 789 H LYS 93 H LYS 93 -6.935 -11.925 14.878 790 HA LYS 93 HA LYS 93 -8.850 -9.807 14.694 791 HB2 LYS 93 1HB LYS 93 -9.094 -10.438 12.359 792 HB3 LYS 93 2HB LYS 93 -7.394 -10.468 12.836 793 HG2 LYS 93 1HG LYS 93 -7.547 -12.970 13.055 794 HG3 LYS 93 2HG LYS 93 -9.204 -12.891 12.430 795 HD2 LYS 93 1HD LYS 93 -8.457 -12.059 10.308 796 HD3 LYS 93 2HD LYS 93 -6.839 -11.718 10.938 797 HE2 LYS 93 1HE LYS 93 -6.745 -13.713 9.559 798 HE3 LYS 93 2HE LYS 93 -6.434 -14.139 11.251 799 HZ1 LYS 93 3HZ LYS 93 -8.714 -14.922 11.415 800 HZ2 LYS 93 1HZ LYS 93 -7.927 -15.703 10.194 801 HZ3 LYS 93 2HZ LYS 93 -9.014 -14.513 9.843 802 H GLU 94 H GLU 94 -9.251 -13.197 15.318 803 HA GLU 94 HA GLU 94 -11.938 -13.489 14.414 804 HB2 GLU 94 1HB GLU 94 -11.895 -15.518 15.872 805 HB3 GLU 94 2HB GLU 94 -10.553 -15.385 14.731 806 HG2 GLU 94 1HG GLU 94 -9.149 -14.444 16.648 807 HG3 GLU 94 2HG GLU 94 -10.466 -14.922 17.727 808 H VAL 95 H VAL 95 -10.659 -12.114 17.403 809 HA VAL 95 HA VAL 95 -13.470 -11.940 18.426 810 HB VAL 95 HB VAL 95 -12.445 -11.438 20.649 811 HG11 VAL 95 1HG1 VAL 95 -11.784 -13.729 21.168 812 HG12 VAL 95 2HG1 VAL 95 -13.138 -13.743 20.020 813 HG13 VAL 95 3HG1 VAL 95 -11.487 -14.072 19.451 814 HG21 VAL 95 3HG2 VAL 95 -9.800 -12.225 19.336 815 HG22 VAL 95 1HG2 VAL 95 -10.248 -10.573 19.828 816 HG23 VAL 95 2HG2 VAL 95 -10.067 -11.844 21.050 817 H ASN 96 H ASN 96 -11.646 -10.302 16.453 818 HA ASN 96 HA ASN 96 -12.424 -7.642 17.601 819 HB2 ASN 96 1HB ASN 96 -9.874 -8.508 16.247 820 HB3 ASN 96 2HB ASN 96 -10.444 -6.843 16.085 821 HD21 ASN 96 2HD2 ASN 96 -9.047 -9.189 18.205 822 HD22 ASN 96 1HD2 ASN 96 -8.762 -8.077 19.529 823 HA PRO 97 HA PRO 97 -14.426 -8.511 13.553 824 HB2 PRO 97 1HB PRO 97 -16.786 -7.183 13.990 825 HB3 PRO 97 2HB PRO 97 -16.490 -8.865 14.537 826 HG2 PRO 97 1HG PRO 97 -16.195 -6.305 16.101 827 HG3 PRO 97 2HG PRO 97 -17.104 -7.791 16.533 828 HD2 PRO 97 1HD PRO 97 -14.630 -7.379 17.486 829 HD3 PRO 97 2HD PRO 97 -15.125 -9.017 16.929 830 H GLN 98 H GLN 98 -13.715 -5.601 15.318 831 HA GLN 98 HA GLN 98 -14.360 -3.657 13.330 832 HB2 GLN 98 1HB GLN 98 -13.777 -3.230 15.763 833 HB3 GLN 98 2HB GLN 98 -12.100 -3.620 15.381 834 HG2 GLN 98 1HG GLN 98 -12.388 -1.219 15.454 835 HG3 GLN 98 2HG GLN 98 -12.008 -1.723 13.801 836 HE21 GLN 98 2HE2 GLN 98 -15.049 -1.593 15.713 837 HE22 GLN 98 1HE2 GLN 98 -15.910 -0.631 14.541 838 H VAL 99 H VAL 99 -11.422 -5.589 14.041 839 HA VAL 99 HA VAL 99 -10.143 -4.432 11.697 840 HB VAL 99 HB VAL 99 -8.906 -5.031 13.889 841 HG11 VAL 99 1HG1 VAL 99 -9.719 -7.409 13.972 842 HG12 VAL 99 2HG1 VAL 99 -8.736 -7.757 12.539 843 HG13 VAL 99 3HG1 VAL 99 -7.957 -7.249 14.054 844 HG21 VAL 99 3HG2 VAL 99 -6.835 -5.508 12.604 845 HG22 VAL 99 1HG2 VAL 99 -7.810 -5.846 11.168 846 HG23 VAL 99 2HG2 VAL 99 -7.798 -4.212 11.871 847 H MET 100 H MET 100 -11.994 -7.322 12.478 848 HA MET 100 HA MET 100 -11.026 -9.002 10.409 849 HB2 MET 100 1HB MET 100 -12.541 -9.743 12.169 850 HB3 MET 100 2HB MET 100 -13.837 -8.736 11.521 851 HG2 MET 100 1HG MET 100 -12.602 -10.751 9.694 852 HG3 MET 100 2HG MET 100 -13.663 -11.336 10.991 853 HE1 MET 100 3HE MET 100 -14.371 -11.837 7.910 854 HE2 MET 100 1HE MET 100 -15.309 -10.560 7.102 855 HE3 MET 100 2HE MET 100 -13.570 -10.327 7.405 856 H ALA 101 H ALA 101 -13.488 -6.399 10.307 857 HA ALA 101 HA ALA 101 -14.171 -6.783 7.558 858 HB1 ALA 101 3HB ALA 101 -14.958 -4.430 7.681 859 HB2 ALA 101 1HB ALA 101 -15.498 -5.381 9.085 860 HB3 ALA 101 2HB ALA 101 -14.137 -4.246 9.248 861 H ALA 102 H ALA 102 -11.458 -5.124 9.152 862 HA ALA 102 HA ALA 102 -10.590 -3.767 6.741 863 HB1 ALA 102 3HB ALA 102 -10.148 -2.886 9.029 864 HB2 ALA 102 1HB ALA 102 -9.085 -4.280 9.340 865 HB3 ALA 102 2HB ALA 102 -8.663 -3.104 8.080 866 H VAL 103 H VAL 103 -9.974 -6.891 8.289 867 HA VAL 103 HA VAL 103 -7.559 -7.593 6.882 868 HB VAL 103 HB VAL 103 -9.889 -9.276 7.961 869 HG11 VAL 103 1HG1 VAL 103 -7.183 -10.341 7.144 870 HG12 VAL 103 2HG1 VAL 103 -8.551 -11.260 7.774 871 HG13 VAL 103 3HG1 VAL 103 -8.652 -10.519 6.169 872 HG21 VAL 103 3HG2 VAL 103 -8.503 -9.683 9.878 873 HG22 VAL 103 1HG2 VAL 103 -7.085 -8.947 9.096 874 HG23 VAL 103 2HG2 VAL 103 -8.456 -7.941 9.586 875 H ALA 104 H ALA 104 -11.040 -8.102 6.152 876 HA ALA 104 HA ALA 104 -10.558 -9.296 3.595 877 HB1 ALA 104 3HB ALA 104 -12.963 -8.888 3.223 878 HB2 ALA 104 1HB ALA 104 -12.674 -9.537 4.856 879 HB3 ALA 104 2HB ALA 104 -13.010 -7.802 4.634 880 H GLN 105 H GLN 105 -11.205 -5.907 4.601 881 HA GLN 105 HA GLN 105 -11.341 -4.843 1.952 882 HB2 GLN 105 1HB GLN 105 -10.523 -3.660 4.610 883 HB3 GLN 105 2HB GLN 105 -10.562 -2.701 3.127 884 HG2 GLN 105 1HG GLN 105 -12.931 -3.021 2.881 885 HG3 GLN 105 2HG GLN 105 -12.974 -4.176 4.213 886 HE21 GLN 105 2HE2 GLN 105 -14.630 -1.970 4.221 887 HE22 GLN 105 1HE2 GLN 105 -14.099 -0.836 5.442 888 H THR 106 H THR 106 -8.543 -5.464 4.110 889 HA THR 106 HA THR 106 -6.657 -4.030 2.507 890 HB THR 106 HB THR 106 -6.080 -6.507 4.194 891 HG1 THR 106 HG1 THR 106 -7.124 -4.926 5.437 892 HG21 THR 106 1HG2 THR 106 -3.878 -5.436 4.472 893 HG22 THR 106 2HG2 THR 106 -4.366 -4.141 3.363 894 HG23 THR 106 3HG2 THR 106 -4.206 -5.813 2.773 895 H GLU 107 H GLU 107 -7.706 -7.485 2.514 896 HA GLU 107 HA GLU 107 -5.941 -8.339 0.468 897 HB2 GLU 107 1HB GLU 107 -8.761 -9.235 1.151 898 HB3 GLU 107 2HB GLU 107 -7.728 -10.030 -0.036 899 HG2 GLU 107 1HG GLU 107 -6.036 -10.384 1.725 900 HG3 GLU 107 2HG GLU 107 -7.180 -9.740 2.905 901 H GLU 108 H GLU 108 -9.261 -6.965 0.183 902 HA GLU 108 HA GLU 108 -9.348 -7.231 -2.660 903 HB2 GLU 108 1HB GLU 108 -10.769 -5.305 -0.793 904 HB3 GLU 108 2HB GLU 108 -11.149 -5.496 -2.511 905 HG2 GLU 108 1HG GLU 108 -11.354 -7.651 -0.384 906 HG3 GLU 108 2HG GLU 108 -12.705 -6.788 -1.129 907 H ILE 109 H ILE 109 -8.116 -4.610 -0.581 908 HA ILE 109 HA ILE 109 -7.665 -2.806 -2.810 909 HB ILE 109 HB ILE 109 -6.518 -2.871 0.017 910 HG12 ILE 109 1HG1 ILE 109 -8.527 -0.958 -1.226 911 HG13 ILE 109 2HG1 ILE 109 -9.030 -2.452 -0.458 912 HG21 ILE 109 1HG2 ILE 109 -6.205 -0.747 -2.180 913 HG22 ILE 109 2HG2 ILE 109 -5.816 -0.469 -0.466 914 HG23 ILE 109 3HG2 ILE 109 -4.905 -1.671 -1.395 915 HD11 ILE 109 3HD1 ILE 109 -9.299 -0.714 1.147 916 HD12 ILE 109 1HD1 ILE 109 -7.907 -1.695 1.655 917 HD13 ILE 109 2HD1 ILE 109 -7.648 -0.113 0.877 918 H LEU 110 H LEU 110 -5.692 -5.270 -1.122 919 HA LEU 110 HA LEU 110 -3.255 -4.714 -2.535 920 HB2 LEU 110 1HB LEU 110 -4.382 -6.957 -0.937 921 HB3 LEU 110 2HB LEU 110 -3.116 -7.387 -2.073 922 HG LEU 110 HG LEU 110 -1.504 -6.051 -0.997 923 HD11 LEU 110 1HD1 LEU 110 -2.621 -3.993 -0.478 924 HD12 LEU 110 2HD1 LEU 110 -2.007 -4.662 1.042 925 HD13 LEU 110 3HD1 LEU 110 -3.726 -4.806 0.646 926 HD21 LEU 110 3HD2 LEU 110 -3.234 -7.371 1.129 927 HD22 LEU 110 1HD2 LEU 110 -1.495 -7.012 1.268 928 HD23 LEU 110 2HD2 LEU 110 -2.064 -8.200 0.077 929 H LYS 111 H LYS 111 -6.042 -6.810 -3.294 930 HA LYS 111 HA LYS 111 -4.894 -7.969 -5.663 931 HB2 LYS 111 1HB LYS 111 -7.729 -7.548 -4.776 932 HB3 LYS 111 2HB LYS 111 -7.286 -8.434 -6.244 933 HG2 LYS 111 1HG LYS 111 -6.262 -10.182 -5.041 934 HG3 LYS 111 2HG LYS 111 -6.066 -9.186 -3.589 935 HD2 LYS 111 1HD LYS 111 -8.564 -9.053 -3.492 936 HD3 LYS 111 2HD LYS 111 -8.597 -10.349 -4.695 937 HE2 LYS 111 1HE LYS 111 -7.375 -11.830 -3.166 938 HE3 LYS 111 2HE LYS 111 -7.121 -10.492 -2.035 939 HZ1 LYS 111 3HZ LYS 111 -9.658 -10.413 -1.913 940 HZ2 LYS 111 1HZ LYS 111 -8.897 -11.665 -1.135 941 HZ3 LYS 111 2HZ LYS 111 -9.640 -11.912 -2.590 942 H SER 112 H SER 112 -6.527 -4.956 -4.971 943 HA SER 112 HA SER 112 -6.937 -4.228 -7.772 944 HB2 SER 112 1HB SER 112 -8.357 -3.579 -5.767 945 HB3 SER 112 2HB SER 112 -7.076 -2.450 -5.324 946 HG SER 112 HG SER 112 -7.336 -1.717 -7.629 947 H ASN 113 H ASN 113 -4.316 -3.994 -5.579 948 HA ASN 113 HA ASN 113 -3.343 -1.395 -6.260 949 HB2 ASN 113 1HB ASN 113 -1.983 -3.854 -5.107 950 HB3 ASN 113 2HB ASN 113 -1.072 -2.390 -5.483 951 HD21 ASN 113 2HD2 ASN 113 -3.437 -0.665 -4.760 952 HD22 ASN 113 1HD2 ASN 113 -3.386 -0.622 -3.020 953 H SER 114 H SER 114 -1.743 -0.636 -7.559 954 HA SER 114 HA SER 114 -1.399 -1.990 -10.090 955 HB2 SER 114 1HB SER 114 0.061 0.084 -10.478 956 HB3 SER 114 2HB SER 114 -1.650 0.395 -10.111 957 HG SER 114 HG SER 114 0.563 1.128 -8.707 958 H GLN 115 H GLN 115 0.738 -2.246 -10.977 959 HA GLN 115 HA GLN 115 2.375 -4.003 -9.496 960 HB2 GLN 115 1HB GLN 115 2.207 -3.789 -11.999 961 HB3 GLN 115 2HB GLN 115 3.180 -2.316 -11.895 962 HG2 GLN 115 1HG GLN 115 5.062 -3.595 -10.985 963 HG3 GLN 115 2HG GLN 115 4.081 -5.070 -10.986 964 HE21 GLN 115 2HE2 GLN 115 4.982 -6.342 -12.488 965 HE22 GLN 115 1HE2 GLN 115 5.298 -5.862 -14.138 966 H THR 116 H THR 116 2.610 -0.486 -9.970 967 HA THR 116 HA THR 116 4.540 -0.417 -7.740 968 HB THR 116 HB THR 116 5.971 -0.247 -9.754 969 HG1 THR 116 HG1 THR 116 6.921 1.727 -9.176 970 HG21 THR 116 1HG2 THR 116 5.777 1.657 -11.291 971 HG22 THR 116 2HG2 THR 116 4.302 2.203 -10.465 972 HG23 THR 116 3HG2 THR 116 4.311 0.660 -11.357 973 H ASP 117 H ASP 117 4.265 1.325 -6.422 974 HA ASP 117 HA ASP 117 2.038 3.205 -7.037 975 HB2 ASP 117 1HB ASP 117 1.002 2.692 -4.895 976 HB3 ASP 117 2HB ASP 117 1.153 1.203 -5.840 977 H LEU 118 H LEU 118 5.164 3.137 -6.458 978 HA LEU 118 HA LEU 118 5.333 4.613 -3.963 979 HB2 LEU 118 1HB LEU 118 7.761 4.857 -4.615 980 HB3 LEU 118 2HB LEU 118 7.142 3.244 -4.338 981 HG LEU 118 HG LEU 118 7.071 2.872 -6.805 982 HD11 LEU 118 1HD1 LEU 118 7.057 5.102 -7.737 983 HD12 LEU 118 2HD1 LEU 118 8.571 4.317 -8.209 984 HD13 LEU 118 3HD1 LEU 118 8.568 5.517 -6.896 985 HD21 LEU 118 3HD2 LEU 118 9.756 3.597 -5.574 986 HD22 LEU 118 1HD2 LEU 118 9.495 2.499 -6.949 987 HD23 LEU 118 2HD2 LEU 118 8.876 2.066 -5.345 988 H GLU 119 H GLU 119 6.214 6.715 -3.657 989 HA GLU 119 HA GLU 119 6.204 8.539 -5.969 990 HB2 GLU 119 1HB GLU 119 3.855 8.252 -4.565 991 HB3 GLU 119 2HB GLU 119 4.637 9.546 -3.657 992 HG2 GLU 119 1HG GLU 119 4.043 9.543 -6.642 993 HG3 GLU 119 2HG GLU 119 3.162 10.450 -5.401 994 H HIS 120 H HIS 120 7.414 10.418 -5.561 995 HA HIS 120 HA HIS 120 9.324 10.171 -3.346 996 HB2 HIS 120 1HB HIS 120 10.633 11.737 -4.479 997 HB3 HIS 120 2HB HIS 120 9.839 10.838 -5.777 998 HD1 HIS 120 HD1 HIS 120 7.338 12.205 -6.518 999 HD2 HIS 120 HD2 HIS 120 10.577 14.393 -4.958 1000 HE1 HIS 120 HE1 HIS 120 7.008 14.626 -7.204 1001 H HIS 121 H HIS 121 6.488 10.862 -2.770 1002 HA HIS 121 HA HIS 121 6.164 13.622 -2.200 1003 HB2 HIS 121 1HB HIS 121 4.622 11.374 -2.386 1004 HB3 HIS 121 2HB HIS 121 4.522 11.696 -0.660 1005 HD1 HIS 121 HD1 HIS 121 3.499 14.106 0.019 1006 HD2 HIS 121 HD2 HIS 121 3.191 13.061 -4.027 1007 HE1 HIS 121 HE1 HIS 121 1.751 15.660 -1.019 1008 H HIS 122 H HIS 122 8.584 12.746 -0.799 1009 HA HIS 122 HA HIS 122 8.092 12.494 2.025 1010 HB2 HIS 122 1HB HIS 122 10.197 11.889 0.741 1011 HB3 HIS 122 2HB HIS 122 10.545 13.618 0.624 1012 HD1 HIS 122 HD1 HIS 122 12.691 13.487 2.100 1013 HD2 HIS 122 HD2 HIS 122 9.254 12.045 3.973 1014 HE1 HIS 122 HE1 HIS 122 13.257 13.176 4.549 1015 H HIS 123 H HIS 123 8.172 14.044 3.668 1016 HA HIS 123 HA HIS 123 8.060 16.912 2.803 1017 HB2 HIS 123 1HB HIS 123 6.303 17.262 4.472 1018 HB3 HIS 123 2HB HIS 123 5.810 16.032 3.304 1019 HD1 HIS 123 HD1 HIS 123 7.247 16.267 6.881 1020 HD2 HIS 123 HD2 HIS 123 5.011 13.657 4.455 1021 HE1 HIS 123 HE1 HIS 123 6.476 14.339 8.367 1022 H HIS 124 H HIS 124 10.250 15.182 3.997 1023 HA HIS 124 HA HIS 124 11.800 15.140 5.672 1024 HB2 HIS 124 1HB HIS 124 11.981 17.601 5.278 1025 HB3 HIS 124 2HB HIS 124 10.769 17.863 6.535 1026 HD1 HIS 124 HD1 HIS 124 13.261 19.261 7.203 1027 HD2 HIS 124 HD2 HIS 124 12.800 15.184 8.078 1028 HE1 HIS 124 HE1 HIS 124 14.929 18.695 9.050 1029 H HIS 125 H HIS 125 11.006 13.380 6.729 1030 HA HIS 125 HA HIS 125 9.029 13.699 8.913 1031 HB2 HIS 125 1HB HIS 125 9.153 11.534 7.673 1032 HB3 HIS 125 2HB HIS 125 10.860 11.392 8.114 1033 HD1 HIS 125 HD1 HIS 125 7.503 10.414 9.287 1034 HD2 HIS 125 HD2 HIS 125 11.227 11.191 11.053 1035 HE1 HIS 125 HE1 HIS 125 7.430 9.406 11.611 Start of MODEL 39 1 H21 MYR 1 1H2 MYR 1 0.851 0.513 -1.381 2 H22 MYR 1 2H2 MYR 1 2.196 0.212 -0.289 3 H31 MYR 1 1H3 MYR 1 -0.348 -1.525 -0.459 4 H32 MYR 1 2H3 MYR 1 1.171 -1.903 -1.265 5 H41 MYR 1 1H4 MYR 1 2.298 -1.887 1.069 6 H42 MYR 1 2H4 MYR 1 0.687 -1.731 1.759 7 H51 MYR 1 1H5 MYR 1 0.086 -3.927 0.471 8 H52 MYR 1 2H5 MYR 1 1.802 -4.073 0.140 9 H61 MYR 1 1H6 MYR 1 1.561 -5.385 2.083 10 H62 MYR 1 2H6 MYR 1 2.157 -3.867 2.730 11 H71 MYR 1 1H7 MYR 1 -0.343 -3.230 3.171 12 H72 MYR 1 2H7 MYR 1 -0.743 -4.884 2.720 13 H81 MYR 1 1H8 MYR 1 0.987 -5.583 4.595 14 H82 MYR 1 2H8 MYR 1 0.871 -3.903 5.129 15 H91 MYR 1 1H9 MYR 1 -1.521 -5.787 4.783 16 H92 MYR 1 2H9 MYR 1 -1.596 -4.143 5.420 17 H101 MYR 1 1H10 MYR 1 -0.360 -4.789 7.446 18 H102 MYR 1 2H10 MYR 1 0.074 -6.337 6.735 19 H111 MYR 1 1H11 MYR 1 -2.408 -6.941 6.656 20 H112 MYR 1 2H11 MYR 1 -1.652 -6.901 8.238 21 H121 MYR 1 1H12 MYR 1 -2.612 -4.660 8.687 22 H122 MYR 1 2H12 MYR 1 -3.340 -4.612 7.079 23 H131 MYR 1 1H13 MYR 1 -4.759 -6.596 7.662 24 H132 MYR 1 2H13 MYR 1 -4.024 -6.660 9.266 25 H141 MYR 1 1H14 MYR 1 -4.919 -4.338 9.748 26 H142 MYR 1 2H14 MYR 1 -5.698 -4.331 8.152 27 H143 MYR 1 3H14 MYR 1 -6.211 -5.492 9.385 28 H GLY 2 H GLY 2 1.977 0.610 1.873 29 HA2 GLY 2 1HA GLY 2 -0.329 1.166 3.387 30 HA3 GLY 2 2HA GLY 2 1.316 1.660 3.797 31 H GLN 3 H GLN 3 1.794 3.383 1.544 32 HA GLN 3 HA GLN 3 0.570 5.770 2.582 33 HB2 GLN 3 1HB GLN 3 1.966 5.252 -0.067 34 HB3 GLN 3 2HB GLN 3 1.519 6.851 0.546 35 HG2 GLN 3 1HG GLN 3 2.957 6.443 2.548 36 HG3 GLN 3 2HG GLN 3 3.472 4.914 1.827 37 HE21 GLN 3 2HE2 GLN 3 5.249 4.932 0.600 38 HE22 GLN 3 1HE2 GLN 3 5.949 6.382 -0.101 39 H GLU 4 H GLU 4 -0.264 3.633 -0.149 40 HA GLU 4 HA GLU 4 -2.372 5.410 -1.090 41 HB2 GLU 4 1HB GLU 4 -1.065 3.841 -2.533 42 HB3 GLU 4 2HB GLU 4 -1.854 2.482 -1.722 43 HG2 GLU 4 1HG GLU 4 -3.731 2.723 -2.891 44 HG3 GLU 4 2HG GLU 4 -3.734 4.479 -2.704 45 H LEU 5 H LEU 5 -2.079 2.709 1.153 46 HA LEU 5 HA LEU 5 -4.890 2.196 1.455 47 HB2 LEU 5 1HB LEU 5 -2.505 1.763 3.253 48 HB3 LEU 5 2HB LEU 5 -4.127 1.396 3.788 49 HG LEU 5 HG LEU 5 -2.851 0.140 1.342 50 HD11 LEU 5 1HD1 LEU 5 -1.613 -0.489 3.374 51 HD12 LEU 5 2HD1 LEU 5 -2.537 -1.862 2.746 52 HD13 LEU 5 3HD1 LEU 5 -3.130 -0.969 4.165 53 HD21 LEU 5 3HD2 LEU 5 -5.324 -0.644 2.940 54 HD22 LEU 5 1HD2 LEU 5 -4.655 -1.519 1.545 55 HD23 LEU 5 2HD2 LEU 5 -5.325 0.107 1.333 56 H SER 6 H SER 6 -2.686 4.543 3.114 57 HA SER 6 HA SER 6 -4.782 5.648 4.777 58 HB2 SER 6 1HB SER 6 -3.083 7.739 4.447 59 HB3 SER 6 2HB SER 6 -2.811 6.409 5.585 60 HG SER 6 HG SER 6 -1.811 6.541 2.916 61 H GLN 7 H GLN 7 -4.420 5.764 1.399 62 HA GLN 7 HA GLN 7 -5.721 8.427 1.157 63 HB2 GLN 7 1HB GLN 7 -3.777 7.547 -0.311 64 HB3 GLN 7 2HB GLN 7 -4.981 6.496 -1.056 65 HG2 GLN 7 1HG GLN 7 -6.269 8.473 -1.775 66 HG3 GLN 7 2HG GLN 7 -5.065 9.528 -1.013 67 HE21 GLN 7 2HE2 GLN 7 -4.825 6.594 -3.067 68 HE22 GLN 7 1HE2 GLN 7 -3.778 7.317 -4.259 69 H HIS 8 H HIS 8 -6.446 5.046 1.369 70 HA HIS 8 HA HIS 8 -8.968 5.263 -0.133 71 HB2 HIS 8 1HB HIS 8 -7.403 3.204 0.037 72 HB3 HIS 8 2HB HIS 8 -8.116 2.942 1.608 73 HD1 HIS 8 HD1 HIS 8 -8.726 2.395 -1.999 74 HD2 HIS 8 HD2 HIS 8 -10.976 2.490 1.501 75 HE1 HIS 8 HE1 HIS 8 -10.953 1.314 -2.527 76 H GLU 9 H GLU 9 -10.441 6.558 0.936 77 HA GLU 9 HA GLU 9 -10.498 7.004 3.668 78 HB2 GLU 9 1HB GLU 9 -12.785 7.108 1.693 79 HB3 GLU 9 2HB GLU 9 -12.822 7.803 3.323 80 HG2 GLU 9 1HG GLU 9 -10.841 9.198 2.731 81 HG3 GLU 9 2HG GLU 9 -10.949 8.587 1.069 82 H ARG 10 H ARG 10 -12.264 4.328 2.034 83 HA ARG 10 HA ARG 10 -13.822 3.627 4.346 84 HB2 ARG 10 1HB ARG 10 -12.748 1.769 2.191 85 HB3 ARG 10 2HB ARG 10 -14.062 1.418 3.311 86 HG2 ARG 10 1HG ARG 10 -15.392 3.244 2.298 87 HG3 ARG 10 2HG ARG 10 -14.073 3.534 1.142 88 HD2 ARG 10 1HD ARG 10 -14.266 1.147 0.403 89 HD3 ARG 10 2HD ARG 10 -15.670 0.970 1.470 90 HE ARG 10 HE ARG 10 -16.960 2.276 0.023 91 HH11 ARG 10 1HH1 ARG 10 -13.616 2.211 -1.142 92 HH12 ARG 10 2HH1 ARG 10 -14.056 2.898 -2.685 93 HH21 ARG 10 1HH2 ARG 10 -17.427 3.143 -1.963 94 HH22 ARG 10 2HH2 ARG 10 -16.170 3.418 -3.137 95 H TYR 11 H TYR 11 -10.549 2.766 3.317 96 HA TYR 11 HA TYR 11 -10.145 0.764 5.350 97 HB2 TYR 11 1HB TYR 11 -8.877 1.092 3.154 98 HB3 TYR 11 2HB TYR 11 -8.030 2.428 3.940 99 HD1 TYR 11 HD1 TYR 11 -8.906 -1.173 4.476 100 HD2 TYR 11 HD2 TYR 11 -6.042 1.962 5.123 101 HE1 TYR 11 HE1 TYR 11 -7.353 -2.791 5.465 102 HE2 TYR 11 HE2 TYR 11 -4.458 0.289 6.104 103 HH TYR 11 HH TYR 11 -5.242 -3.187 6.215 104 H VAL 12 H VAL 12 -9.334 4.190 4.893 105 HA VAL 12 HA VAL 12 -8.007 4.613 7.366 106 HB VAL 12 HB VAL 12 -9.725 6.541 5.733 107 HG11 VAL 12 1HG1 VAL 12 -7.651 7.174 7.870 108 HG12 VAL 12 2HG1 VAL 12 -8.540 8.352 6.881 109 HG13 VAL 12 3HG1 VAL 12 -9.406 7.357 8.065 110 HG21 VAL 12 3HG2 VAL 12 -7.628 7.303 4.784 111 HG22 VAL 12 1HG2 VAL 12 -6.700 6.233 5.858 112 HG23 VAL 12 2HG2 VAL 12 -7.709 5.548 4.577 113 H GLU 13 H GLU 13 -11.549 4.658 6.608 114 HA GLU 13 HA GLU 13 -12.418 5.593 9.138 115 HB2 GLU 13 1HB GLU 13 -13.674 3.698 7.145 116 HB3 GLU 13 2HB GLU 13 -14.497 4.169 8.631 117 HG2 GLU 13 1HG GLU 13 -13.435 6.320 6.835 118 HG3 GLU 13 2HG GLU 13 -14.907 5.455 6.361 119 H GLN 14 H GLN 14 -11.857 2.170 8.120 120 HA GLN 14 HA GLN 14 -12.556 1.082 10.679 121 HB2 GLN 14 1HB GLN 14 -10.620 0.040 8.569 122 HB3 GLN 14 2HB GLN 14 -11.157 -0.871 9.983 123 HG2 GLN 14 1HG GLN 14 -12.865 0.083 7.674 124 HG3 GLN 14 2HG GLN 14 -12.436 -1.586 8.082 125 HE21 GLN 14 2HE2 GLN 14 -12.973 -1.961 10.640 126 HE22 GLN 14 1HE2 GLN 14 -14.618 -1.520 11.041 127 H LEU 15 H LEU 15 -9.480 2.290 9.327 128 HA LEU 15 HA LEU 15 -7.988 1.523 11.673 129 HB2 LEU 15 1HB LEU 15 -7.407 3.364 9.362 130 HB3 LEU 15 2HB LEU 15 -6.292 3.163 10.707 131 HG LEU 15 HG LEU 15 -7.177 0.984 8.792 132 HD11 LEU 15 1HD1 LEU 15 -4.770 1.091 8.154 133 HD12 LEU 15 2HD1 LEU 15 -4.573 2.488 9.230 134 HD13 LEU 15 3HD1 LEU 15 -5.651 2.593 7.813 135 HD21 LEU 15 3HD2 LEU 15 -5.385 -0.382 9.914 136 HD22 LEU 15 1HD2 LEU 15 -6.774 -0.059 10.963 137 HD23 LEU 15 2HD2 LEU 15 -5.268 0.867 11.176 138 H LYS 16 H LYS 16 -9.963 4.367 10.980 139 HA LYS 16 HA LYS 16 -8.775 6.122 12.942 140 HB2 LYS 16 1HB LYS 16 -11.671 5.794 12.061 141 HB3 LYS 16 2HB LYS 16 -11.145 7.025 13.199 142 HG2 LYS 16 1HG LYS 16 -9.801 8.122 11.494 143 HG3 LYS 16 2HG LYS 16 -10.158 6.825 10.350 144 HD2 LYS 16 1HD LYS 16 -12.618 7.336 10.690 145 HD3 LYS 16 2HD LYS 16 -12.114 8.811 11.527 146 HE2 LYS 16 1HE LYS 16 -10.946 9.575 9.482 147 HE3 LYS 16 2HE LYS 16 -11.368 8.051 8.670 148 HZ1 LYS 16 3HZ LYS 16 -12.930 9.736 8.028 149 HZ2 LYS 16 1HZ LYS 16 -13.300 10.099 9.595 150 HZ3 LYS 16 2HZ LYS 16 -13.723 8.632 8.969 151 H GLN 17 H GLN 17 -11.182 3.516 13.069 152 HA GLN 17 HA GLN 17 -11.559 3.782 15.934 153 HB2 GLN 17 1HB GLN 17 -12.210 1.535 14.004 154 HB3 GLN 17 2HB GLN 17 -12.727 1.586 15.690 155 HG2 GLN 17 1HG GLN 17 -13.459 3.867 13.856 156 HG3 GLN 17 2HG GLN 17 -14.332 2.337 13.744 157 HE21 GLN 17 2HE2 GLN 17 -16.243 2.685 14.618 158 HE22 GLN 17 1HE2 GLN 17 -16.523 3.346 16.211 159 H ALA 18 H ALA 18 -9.585 1.625 13.816 160 HA ALA 18 HA ALA 18 -8.773 -0.039 15.990 161 HB1 ALA 18 3HB ALA 18 -7.148 -0.970 14.438 162 HB2 ALA 18 1HB ALA 18 -8.716 -0.731 13.630 163 HB3 ALA 18 2HB ALA 18 -7.370 0.406 13.335 164 H LEU 19 H LEU 19 -7.075 2.828 14.536 165 HA LEU 19 HA LEU 19 -4.725 2.544 16.212 166 HB2 LEU 19 1HB LEU 19 -5.947 4.802 14.624 167 HB3 LEU 19 2HB LEU 19 -4.779 5.190 15.870 168 HG LEU 19 HG LEU 19 -3.210 3.498 14.628 169 HD11 LEU 19 1HD1 LEU 19 -5.151 4.263 12.416 170 HD12 LEU 19 2HD1 LEU 19 -4.711 2.624 12.943 171 HD13 LEU 19 3HD1 LEU 19 -3.504 3.657 12.128 172 HD21 LEU 19 3HD2 LEU 19 -2.759 5.893 14.862 173 HD22 LEU 19 1HD2 LEU 19 -3.871 6.259 13.523 174 HD23 LEU 19 2HD2 LEU 19 -2.365 5.362 13.209 175 H LYS 20 H LYS 20 -7.894 4.095 16.566 176 HA LYS 20 HA LYS 20 -7.425 5.418 19.062 177 HB2 LYS 20 1HB LYS 20 -9.294 6.099 17.812 178 HB3 LYS 20 2HB LYS 20 -9.805 4.450 17.519 179 HG2 LYS 20 1HG LYS 20 -10.495 4.261 19.915 180 HG3 LYS 20 2HG LYS 20 -10.169 6.005 20.083 181 HD2 LYS 20 1HD LYS 20 -11.785 6.503 18.327 182 HD3 LYS 20 2HD LYS 20 -11.968 4.778 17.960 183 HE2 LYS 20 1HE LYS 20 -12.869 4.417 20.258 184 HE3 LYS 20 2HE LYS 20 -12.835 6.180 20.508 185 HZ1 LYS 20 3HZ LYS 20 -14.286 4.824 18.293 186 HZ2 LYS 20 1HZ LYS 20 -14.347 6.431 18.661 187 HZ3 LYS 20 2HZ LYS 20 -15.004 5.328 19.697 188 H THR 21 H THR 21 -8.769 2.116 18.371 189 HA THR 21 HA THR 21 -9.250 1.575 21.162 190 HB THR 21 HB THR 21 -9.275 -0.865 20.389 191 HG1 THR 21 HG1 THR 21 -7.875 -0.533 18.567 192 HG21 THR 21 1HG2 THR 21 -10.988 1.137 18.870 193 HG22 THR 21 2HG2 THR 21 -11.347 0.422 20.460 194 HG23 THR 21 3HG2 THR 21 -11.315 -0.600 19.006 195 H ARG 22 H ARG 22 -6.339 1.508 19.236 196 HA ARG 22 HA ARG 22 -4.952 -0.336 21.008 197 HB2 ARG 22 1HB ARG 22 -4.341 0.106 18.606 198 HB3 ARG 22 2HB ARG 22 -3.809 1.719 19.077 199 HG2 ARG 22 1HG ARG 22 -1.900 0.240 18.863 200 HG3 ARG 22 2HG ARG 22 -2.090 0.713 20.556 201 HD2 ARG 22 1HD ARG 22 -3.178 -1.419 21.054 202 HD3 ARG 22 2HD ARG 22 -3.049 -1.894 19.348 203 HE ARG 22 HE ARG 22 -0.464 -1.229 20.286 204 HH11 ARG 22 1HH1 ARG 22 -2.882 -3.733 20.839 205 HH12 ARG 22 2HH1 ARG 22 -1.677 -4.946 21.225 206 HH21 ARG 22 1HH2 ARG 22 1.009 -2.820 20.799 207 HH22 ARG 22 2HH2 ARG 22 0.473 -4.449 21.154 208 H GLY 23 H GLY 23 -5.826 3.016 21.104 209 HA2 GLY 23 1HA GLY 23 -5.630 4.487 22.859 210 HA3 GLY 23 2HA GLY 23 -4.903 3.185 23.809 211 H VAL 24 H VAL 24 -3.404 4.059 20.774 212 HA VAL 24 HA VAL 24 -1.247 5.385 22.359 213 HB VAL 24 HB VAL 24 -0.688 3.040 21.681 214 HG11 VAL 24 1HG1 VAL 24 -1.914 2.955 19.548 215 HG12 VAL 24 2HG1 VAL 24 -0.785 4.114 18.835 216 HG13 VAL 24 3HG1 VAL 24 -0.211 2.509 19.336 217 HG21 VAL 24 3HG2 VAL 24 1.091 4.676 22.085 218 HG22 VAL 24 1HG2 VAL 24 1.551 3.542 20.800 219 HG23 VAL 24 2HG2 VAL 24 1.034 5.189 20.382 220 H LYS 25 H LYS 25 -0.306 7.180 21.564 221 HA LYS 25 HA LYS 25 -1.814 8.545 19.448 222 HB2 LYS 25 1HB LYS 25 -1.161 9.618 21.632 223 HB3 LYS 25 2HB LYS 25 0.520 9.559 21.097 224 HG2 LYS 25 1HG LYS 25 -0.208 10.933 19.067 225 HG3 LYS 25 2HG LYS 25 -1.768 11.151 19.875 226 HD2 LYS 25 1HD LYS 25 0.937 11.944 21.042 227 HD3 LYS 25 2HD LYS 25 -0.174 13.054 20.219 228 HE2 LYS 25 1HE LYS 25 -1.918 12.540 21.942 229 HE3 LYS 25 2HE LYS 25 -0.738 11.525 22.797 230 HZ1 LYS 25 3HZ LYS 25 -0.438 14.430 22.279 231 HZ2 LYS 25 1HZ LYS 25 0.663 13.484 23.065 232 HZ3 LYS 25 2HZ LYS 25 -0.823 13.748 23.730 233 H VAL 26 H VAL 26 -1.173 7.261 17.643 234 HA VAL 26 HA VAL 26 1.623 7.842 16.711 235 HB VAL 26 HB VAL 26 -0.218 5.502 15.953 236 HG11 VAL 26 1HG1 VAL 26 1.062 6.164 13.998 237 HG12 VAL 26 2HG1 VAL 26 2.566 6.252 14.946 238 HG13 VAL 26 3HG1 VAL 26 1.773 4.689 14.659 239 HG21 VAL 26 3HG2 VAL 26 1.490 4.092 17.007 240 HG22 VAL 26 1HG2 VAL 26 2.478 5.522 17.388 241 HG23 VAL 26 2HG2 VAL 26 0.906 5.290 18.175 242 H LYS 27 H LYS 27 1.799 8.992 14.857 243 HA LYS 27 HA LYS 27 -0.511 10.389 13.823 244 HB2 LYS 27 1HB LYS 27 1.874 11.215 13.738 245 HB3 LYS 27 2HB LYS 27 2.236 9.938 12.581 246 HG2 LYS 27 1HG LYS 27 0.565 10.953 11.007 247 HG3 LYS 27 2HG LYS 27 0.380 12.298 12.154 248 HD2 LYS 27 1HD LYS 27 2.838 12.734 11.978 249 HD3 LYS 27 2HD LYS 27 2.969 11.414 10.803 250 HE2 LYS 27 1HE LYS 27 2.903 13.438 9.542 251 HE3 LYS 27 2HE LYS 27 1.323 12.662 9.334 252 HZ1 LYS 27 3HZ LYS 27 1.106 15.031 9.757 253 HZ2 LYS 27 1HZ LYS 27 1.913 14.903 11.190 254 HZ3 LYS 27 2HZ LYS 27 0.437 14.188 11.008 255 H PHE 28 H PHE 28 -1.863 9.769 12.133 256 HA PHE 28 HA PHE 28 -2.123 7.078 11.429 257 HB2 PHE 28 1HB PHE 28 -3.381 9.536 10.851 258 HB3 PHE 28 2HB PHE 28 -2.928 8.901 9.267 259 HD1 PHE 28 HD2 PHE 28 -3.872 6.772 8.445 260 HD2 PHE 28 HD1 PHE 28 -5.055 8.467 12.219 261 HE1 PHE 28 HE2 PHE 28 -5.880 5.306 8.473 262 HE2 PHE 28 HE1 PHE 28 -7.061 7.015 12.248 263 HZ PHE 28 HZ PHE 28 -7.490 5.451 10.364 264 H ALA 29 H ALA 29 -0.481 9.641 9.527 265 HA ALA 29 HA ALA 29 0.248 7.958 7.363 266 HB1 ALA 29 3HB ALA 29 0.295 10.437 7.278 267 HB2 ALA 29 1HB ALA 29 1.672 10.441 8.413 268 HB3 ALA 29 2HB ALA 29 1.852 9.725 6.797 269 H ASP 30 H ASP 30 1.708 8.380 10.561 270 HA ASP 30 HA ASP 30 4.222 7.111 9.794 271 HB2 ASP 30 1HB ASP 30 3.943 8.782 11.683 272 HB3 ASP 30 2HB ASP 30 3.101 7.511 12.585 273 H LEU 31 H LEU 31 1.076 6.100 11.167 274 HA LEU 31 HA LEU 31 2.013 3.464 11.849 275 HB2 LEU 31 1HB LEU 31 -0.082 4.466 12.727 276 HB3 LEU 31 2HB LEU 31 -0.792 4.369 11.127 277 HG LEU 31 HG LEU 31 -1.348 2.613 12.999 278 HD11 LEU 31 1HD1 LEU 31 -0.801 1.723 10.158 279 HD12 LEU 31 2HD1 LEU 31 -2.235 2.621 10.706 280 HD13 LEU 31 3HD1 LEU 31 -1.933 0.985 11.311 281 HD21 LEU 31 3HD2 LEU 31 0.999 1.874 13.376 282 HD22 LEU 31 1HD2 LEU 31 1.035 1.231 11.714 283 HD23 LEU 31 2HD2 LEU 31 -0.092 0.558 12.910 284 H LEU 32 H LEU 32 0.161 4.760 9.085 285 HA LEU 32 HA LEU 32 0.394 2.378 7.513 286 HB2 LEU 32 1HB LEU 32 -0.176 5.247 6.831 287 HB3 LEU 32 2HB LEU 32 0.101 4.080 5.554 288 HG LEU 32 HG LEU 32 -2.238 4.310 5.820 289 HD11 LEU 32 1HD1 LEU 32 -1.600 1.703 7.222 290 HD12 LEU 32 2HD1 LEU 32 -1.399 1.974 5.475 291 HD13 LEU 32 3HD1 LEU 32 -3.007 2.092 6.211 292 HD21 LEU 32 3HD2 LEU 32 -1.896 3.605 8.728 293 HD22 LEU 32 1HD2 LEU 32 -3.416 3.991 7.872 294 HD23 LEU 32 2HD2 LEU 32 -2.175 5.234 8.072 295 H LYS 33 H LYS 33 2.777 4.833 8.075 296 HA LYS 33 HA LYS 33 4.461 4.447 5.795 297 HB2 LYS 33 1HB LYS 33 5.002 6.126 7.484 298 HB3 LYS 33 2HB LYS 33 5.145 4.879 8.714 299 HG2 LYS 33 1HG LYS 33 7.106 3.932 7.563 300 HG3 LYS 33 2HG LYS 33 7.035 5.276 6.399 301 HD2 LYS 33 1HD LYS 33 7.431 6.886 8.164 302 HD3 LYS 33 2HD LYS 33 7.204 5.648 9.414 303 HE2 LYS 33 1HE LYS 33 9.578 6.109 9.140 304 HE3 LYS 33 2HE LYS 33 9.205 4.452 8.632 305 HZ1 LYS 33 3HZ LYS 33 9.589 6.752 6.803 306 HZ2 LYS 33 1HZ LYS 33 9.239 5.211 6.333 307 HZ3 LYS 33 2HZ LYS 33 10.680 5.543 7.065 308 H PHE 34 H PHE 34 4.030 2.513 8.765 309 HA PHE 34 HA PHE 34 6.121 0.655 7.974 310 HB2 PHE 34 1HB PHE 34 4.109 0.750 10.206 311 HB3 PHE 34 2HB PHE 34 5.158 -0.640 9.963 312 HD1 PHE 34 HD1 PHE 34 7.642 -0.411 10.176 313 HD2 PHE 34 HD2 PHE 34 4.987 2.855 10.984 314 HE1 PHE 34 HE1 PHE 34 9.514 0.848 11.242 315 HE2 PHE 34 HE2 PHE 34 6.830 4.135 12.034 316 HZ PHE 34 HZ PHE 34 9.109 3.140 12.153 317 H PHE 35 H PHE 35 2.689 0.899 7.369 318 HA PHE 35 HA PHE 35 2.370 -1.852 6.440 319 HB2 PHE 35 1HB PHE 35 0.818 0.715 6.001 320 HB3 PHE 35 2HB PHE 35 0.427 -0.766 5.136 321 HD1 PHE 35 HD1 PHE 35 1.299 -0.079 8.777 322 HD2 PHE 35 HD2 PHE 35 -1.516 -1.680 5.938 323 HE1 PHE 35 HE1 PHE 35 -0.140 -0.845 10.638 324 HE2 PHE 35 HE2 PHE 35 -2.969 -2.419 7.809 325 HZ PHE 35 HZ PHE 35 -2.280 -2.022 10.161 326 H ASP 36 H ASP 36 3.775 1.105 5.195 327 HA ASP 36 HA ASP 36 3.762 0.202 2.400 328 HB2 ASP 36 1HB ASP 36 3.969 2.644 3.599 329 HB3 ASP 36 2HB ASP 36 5.683 2.284 3.345 330 H PHE 37 H PHE 37 5.936 0.326 5.186 331 HA PHE 37 HA PHE 37 8.327 -0.449 3.886 332 HB2 PHE 37 1HB PHE 37 8.034 0.593 6.159 333 HB3 PHE 37 2HB PHE 37 7.539 -0.991 6.768 334 HD1 PHE 37 HD2 PHE 37 10.359 0.763 5.013 335 HD2 PHE 37 HD1 PHE 37 9.169 -2.519 7.527 336 HE1 PHE 37 HE2 PHE 37 12.755 0.197 5.397 337 HE2 PHE 37 HE1 PHE 37 11.559 -3.103 7.904 338 HZ PHE 37 HZ PHE 37 13.357 -1.739 6.837 339 H VAL 38 H VAL 38 5.695 -2.502 5.189 340 HA VAL 38 HA VAL 38 7.241 -4.923 5.083 341 HB VAL 38 HB VAL 38 5.320 -5.402 6.253 342 HG11 VAL 38 1HG1 VAL 38 4.192 -3.326 5.984 343 HG12 VAL 38 2HG1 VAL 38 3.741 -3.730 4.314 344 HG13 VAL 38 3HG1 VAL 38 3.055 -4.633 5.678 345 HG21 VAL 38 3HG2 VAL 38 3.832 -6.873 5.012 346 HG22 VAL 38 1HG2 VAL 38 4.237 -6.087 3.475 347 HG23 VAL 38 2HG2 VAL 38 5.459 -7.053 4.337 348 H LYS 39 H LYS 39 5.376 -3.154 2.575 349 HA LYS 39 HA LYS 39 5.613 -5.256 0.621 350 HB2 LYS 39 1HB LYS 39 4.040 -3.376 0.383 351 HB3 LYS 39 2HB LYS 39 5.391 -2.251 0.196 352 HG2 LYS 39 1HG LYS 39 6.074 -3.311 -1.872 353 HG3 LYS 39 2HG LYS 39 4.874 -4.596 -1.662 354 HD2 LYS 39 1HD LYS 39 3.059 -3.007 -1.942 355 HD3 LYS 39 2HD LYS 39 4.204 -1.651 -1.976 356 HE2 LYS 39 1HE LYS 39 3.508 -2.211 -4.257 357 HE3 LYS 39 2HE LYS 39 5.233 -2.548 -4.032 358 HZ1 LYS 39 3HZ LYS 39 4.672 -4.899 -3.765 359 HZ2 LYS 39 1HZ LYS 39 4.147 -4.339 -5.225 360 HZ3 LYS 39 2HZ LYS 39 3.070 -4.580 -4.001 361 H ASP 40 H ASP 40 7.764 -2.582 1.546 362 HA ASP 40 HA ASP 40 9.567 -2.819 -0.656 363 HB2 ASP 40 1HB ASP 40 9.417 -0.925 1.004 364 HB3 ASP 40 2HB ASP 40 10.208 -1.972 2.190 365 H THR 41 H THR 41 9.378 -4.530 2.453 366 HA THR 41 HA THR 41 11.921 -5.937 1.887 367 HB THR 41 HB THR 41 10.045 -6.462 4.226 368 HG1 THR 41 HG1 THR 41 10.530 -4.179 4.004 369 HG21 THR 41 1HG2 THR 41 12.048 -7.956 3.862 370 HG22 THR 41 2HG2 THR 41 12.106 -7.045 5.382 371 HG23 THR 41 3HG2 THR 41 13.079 -6.516 3.996 372 H CYS 42 H CYS 42 8.480 -6.433 1.666 373 HA CYS 42 HA CYS 42 8.910 -9.248 0.747 374 HB2 CYS 42 1HB CYS 42 6.627 -8.147 2.427 375 HB3 CYS 42 2HB CYS 42 6.719 -9.781 1.765 376 HG CYS 42 HG CYS 42 8.868 -8.358 3.786 377 HA PRO 43 HA PRO 43 6.602 -6.708 -2.323 378 HB2 PRO 43 1HB PRO 43 7.676 -7.750 -4.616 379 HB3 PRO 43 2HB PRO 43 8.497 -6.473 -3.659 380 HG2 PRO 43 1HG PRO 43 8.945 -9.454 -3.597 381 HG3 PRO 43 2HG PRO 43 10.151 -8.138 -3.758 382 HD2 PRO 43 1HD PRO 43 9.622 -9.321 -1.373 383 HD3 PRO 43 2HD PRO 43 9.991 -7.559 -1.491 384 H TRP 44 H TRP 44 7.174 -10.115 -1.941 385 HA TRP 44 HA TRP 44 5.013 -11.048 -3.612 386 HB2 TRP 44 1HB TRP 44 5.517 -13.160 -2.140 387 HB3 TRP 44 2HB TRP 44 6.667 -12.614 -3.373 388 HD1 TRP 44 HD1 TRP 44 6.115 -12.032 0.404 389 HE1 TRP 44 HE1 TRP 44 8.361 -11.815 1.608 390 HE3 TRP 44 HE3 TRP 44 9.098 -12.383 -3.704 391 HZ2 TRP 44 HZ2 TRP 44 11.110 -11.738 0.850 392 HZ3 TRP 44 HZ3 TRP 44 11.580 -12.217 -3.409 393 HH2 TRP 44 HH2 TRP 44 12.563 -11.880 -1.140 394 H PHE 45 H PHE 45 5.138 -9.745 -0.375 395 HA PHE 45 HA PHE 45 2.996 -11.294 0.721 396 HB2 PHE 45 1HB PHE 45 4.500 -9.981 2.131 397 HB3 PHE 45 2HB PHE 45 3.885 -8.480 1.444 398 HD1 PHE 45 HD1 PHE 45 3.150 -11.304 3.707 399 HD2 PHE 45 HD2 PHE 45 1.665 -7.621 2.051 400 HE1 PHE 45 HE1 PHE 45 1.382 -11.226 5.464 401 HE2 PHE 45 HE2 PHE 45 -0.119 -7.554 3.785 402 HZ PHE 45 HZ PHE 45 -0.257 -9.353 5.499 403 HA PRO 46 HA PRO 46 -0.115 -8.201 -0.711 404 HB2 PRO 46 1HB PRO 46 0.351 -6.257 -2.544 405 HB3 PRO 46 2HB PRO 46 0.663 -6.006 -0.797 406 HG2 PRO 46 1HG PRO 46 2.586 -6.796 -2.957 407 HG3 PRO 46 2HG PRO 46 2.706 -5.460 -1.769 408 HD2 PRO 46 1HD PRO 46 3.920 -7.827 -1.354 409 HD3 PRO 46 2HD PRO 46 3.176 -6.909 -0.004 410 H GLN 47 H GLN 47 2.308 -9.439 -2.894 411 HA GLN 47 HA GLN 47 0.748 -9.516 -5.296 412 HB2 GLN 47 1HB GLN 47 3.244 -9.807 -5.070 413 HB3 GLN 47 2HB GLN 47 2.946 -11.402 -4.381 414 HG2 GLN 47 1HG GLN 47 1.891 -12.124 -6.474 415 HG3 GLN 47 2HG GLN 47 2.175 -10.518 -7.168 416 HE21 GLN 47 2HE2 GLN 47 3.318 -11.935 -8.785 417 HE22 GLN 47 1HE2 GLN 47 5.002 -12.276 -8.476 418 H GLU 48 H GLU 48 1.372 -11.959 -2.706 419 HA GLU 48 HA GLU 48 -0.647 -13.778 -3.799 420 HB2 GLU 48 1HB GLU 48 0.700 -13.633 -1.069 421 HB3 GLU 48 2HB GLU 48 -0.399 -14.917 -1.588 422 HG2 GLU 48 1HG GLU 48 1.192 -15.378 -3.498 423 HG3 GLU 48 2HG GLU 48 2.337 -14.271 -2.715 424 H GLY 49 H GLY 49 -0.394 -11.253 -1.333 425 HA2 GLY 49 1HA GLY 49 -2.000 -9.919 -0.415 426 HA3 GLY 49 2HA GLY 49 -3.158 -10.575 -1.563 427 H THR 50 H THR 50 -1.725 -13.044 0.294 428 HA THR 50 HA THR 50 -4.257 -13.449 1.720 429 HB THR 50 HB THR 50 -1.632 -14.976 1.977 430 HG1 THR 50 HG1 THR 50 -3.716 -15.122 0.079 431 HG21 THR 50 1HG2 THR 50 -3.087 -16.860 2.604 432 HG22 THR 50 2HG2 THR 50 -4.517 -15.803 2.479 433 HG23 THR 50 3HG2 THR 50 -3.284 -15.497 3.727 434 H ILE 51 H ILE 51 -4.653 -12.405 3.604 435 HA ILE 51 HA ILE 51 -2.258 -11.685 5.254 436 HB ILE 51 HB ILE 51 -4.947 -10.287 5.076 437 HG12 ILE 51 1HG1 ILE 51 -2.163 -9.488 4.130 438 HG13 ILE 51 2HG1 ILE 51 -3.440 -10.076 3.078 439 HG21 ILE 51 1HG2 ILE 51 -3.874 -10.146 7.369 440 HG22 ILE 51 2HG2 ILE 51 -2.408 -9.476 6.614 441 HG23 ILE 51 3HG2 ILE 51 -3.947 -8.581 6.553 442 HD11 ILE 51 3HD1 ILE 51 -4.820 -8.154 3.752 443 HD12 ILE 51 1HD1 ILE 51 -3.405 -7.512 4.622 444 HD13 ILE 51 2HD1 ILE 51 -3.336 -7.752 2.868 445 H ASP 52 H ASP 52 -1.986 -13.267 6.551 446 HA ASP 52 HA ASP 52 -3.899 -13.561 8.765 447 HB2 ASP 52 1HB ASP 52 -4.511 -15.451 7.249 448 HB3 ASP 52 2HB ASP 52 -2.805 -15.938 7.215 449 H ILE 53 H ILE 53 -2.651 -14.756 10.541 450 HA ILE 53 HA ILE 53 -0.101 -13.539 10.823 451 HB ILE 53 HB ILE 53 -1.641 -14.225 12.651 452 HG12 ILE 53 1HG1 ILE 53 0.220 -15.200 14.150 453 HG13 ILE 53 2HG1 ILE 53 1.234 -15.181 12.725 454 HG21 ILE 53 1HG2 ILE 53 -1.690 -16.502 13.490 455 HG22 ILE 53 2HG2 ILE 53 -2.264 -16.464 11.812 456 HG23 ILE 53 3HG2 ILE 53 -0.621 -17.047 12.177 457 HD11 ILE 53 3HD1 ILE 53 -0.077 -12.748 13.980 458 HD12 ILE 53 1HD1 ILE 53 1.627 -13.223 14.149 459 HD13 ILE 53 2HD1 ILE 53 1.003 -12.733 12.560 460 H LYS 54 H LYS 54 -1.084 -16.643 9.469 461 HA LYS 54 HA LYS 54 1.470 -17.930 9.525 462 HB2 LYS 54 1HB LYS 54 -0.786 -18.042 7.494 463 HB3 LYS 54 2HB LYS 54 0.612 -19.118 7.451 464 HG2 LYS 54 1HG LYS 54 -1.088 -18.921 9.947 465 HG3 LYS 54 2HG LYS 54 -1.623 -19.907 8.587 466 HD2 LYS 54 1HD LYS 54 1.145 -20.247 9.782 467 HD3 LYS 54 2HD LYS 54 -0.270 -21.038 10.496 468 HE2 LYS 54 1HE LYS 54 0.614 -21.362 7.596 469 HE3 LYS 54 2HE LYS 54 0.969 -22.509 8.902 470 HZ1 LYS 54 3HZ LYS 54 -1.416 -22.842 9.183 471 HZ2 LYS 54 1HZ LYS 54 -0.982 -23.180 7.628 472 HZ3 LYS 54 2HZ LYS 54 -1.757 -21.766 7.983 473 H ARG 55 H ARG 55 0.147 -15.509 7.258 474 HA ARG 55 HA ARG 55 2.640 -15.586 5.644 475 HB2 ARG 55 1HB ARG 55 -0.082 -14.446 5.384 476 HB3 ARG 55 2HB ARG 55 1.199 -13.342 4.876 477 HG2 ARG 55 1HG ARG 55 0.656 -14.484 2.914 478 HG3 ARG 55 2HG ARG 55 2.124 -15.287 3.488 479 HD2 ARG 55 1HD ARG 55 0.318 -16.861 4.709 480 HD3 ARG 55 2HD ARG 55 -0.693 -16.308 3.367 481 HE ARG 55 HE ARG 55 1.634 -18.066 3.249 482 HH11 ARG 55 1HH1 ARG 55 -0.483 -16.026 1.280 483 HH12 ARG 55 2HH1 ARG 55 0.065 -16.785 -0.198 484 HH21 ARG 55 1HH2 ARG 55 2.226 -18.960 1.300 485 HH22 ARG 55 2HH2 ARG 55 1.539 -18.346 -0.191 486 H TRP 56 H TRP 56 1.028 -13.470 8.049 487 HA TRP 56 HA TRP 56 2.827 -11.285 7.766 488 HB2 TRP 56 1HB TRP 56 0.610 -11.305 8.946 489 HB3 TRP 56 2HB TRP 56 1.395 -12.133 10.296 490 HD1 TRP 56 HD1 TRP 56 2.198 -10.527 12.130 491 HE1 TRP 56 HE1 TRP 56 2.860 -8.079 12.366 492 HE3 TRP 56 HE3 TRP 56 1.802 -9.233 7.205 493 HZ2 TRP 56 HZ2 TRP 56 3.205 -5.845 10.627 494 HZ3 TRP 56 HZ3 TRP 56 2.336 -6.886 6.537 495 HH2 TRP 56 HH2 TRP 56 3.034 -5.211 8.246 496 H ARG 57 H ARG 57 3.123 -14.315 9.594 497 HA ARG 57 HA ARG 57 5.409 -13.583 11.152 498 HB2 ARG 57 1HB ARG 57 4.311 -16.164 10.110 499 HB3 ARG 57 2HB ARG 57 5.893 -16.123 10.913 500 HG2 ARG 57 1HG ARG 57 4.984 -15.353 12.944 501 HG3 ARG 57 2HG ARG 57 3.453 -14.882 12.185 502 HD2 ARG 57 1HD ARG 57 2.904 -17.203 11.752 503 HD3 ARG 57 2HD ARG 57 4.453 -17.726 12.434 504 HE ARG 57 HE ARG 57 2.059 -16.793 13.877 505 HH11 ARG 57 1HH1 ARG 57 5.508 -17.527 14.185 506 HH12 ARG 57 2HH1 ARG 57 5.404 -17.702 15.915 507 HH21 ARG 57 1HH2 ARG 57 2.008 -17.021 16.074 508 HH22 ARG 57 2HH2 ARG 57 3.453 -17.428 16.963 509 H ARG 58 H ARG 58 5.143 -14.797 7.825 510 HA ARG 58 HA ARG 58 7.966 -15.013 7.410 511 HB2 ARG 58 1HB ARG 58 5.727 -14.505 5.429 512 HB3 ARG 58 2HB ARG 58 7.394 -14.870 4.996 513 HG2 ARG 58 1HG ARG 58 6.587 -16.873 6.848 514 HG3 ARG 58 2HG ARG 58 5.258 -16.673 5.691 515 HD2 ARG 58 1HD ARG 58 6.433 -18.050 4.378 516 HD3 ARG 58 2HD ARG 58 7.455 -16.652 4.026 517 HE ARG 58 HE ARG 58 8.105 -18.967 5.722 518 HH11 ARG 58 1HH1 ARG 58 9.133 -15.689 4.850 519 HH12 ARG 58 2HH1 ARG 58 10.746 -15.957 5.447 520 HH21 ARG 58 1HH2 ARG 58 10.184 -19.199 6.452 521 HH22 ARG 58 2HH2 ARG 58 11.318 -17.885 6.331 522 H VAL 59 H VAL 59 5.856 -12.207 7.446 523 HA VAL 59 HA VAL 59 7.691 -10.467 6.027 524 HB VAL 59 HB VAL 59 5.569 -9.754 8.101 525 HG11 VAL 59 1HG1 VAL 59 6.899 -8.049 5.979 526 HG12 VAL 59 2HG1 VAL 59 5.588 -7.542 7.072 527 HG13 VAL 59 3HG1 VAL 59 7.179 -7.952 7.728 528 HG21 VAL 59 3HG2 VAL 59 4.566 -10.975 6.287 529 HG22 VAL 59 1HG2 VAL 59 4.154 -9.260 6.132 530 HG23 VAL 59 2HG2 VAL 59 5.411 -9.968 5.089 531 H GLY 60 H GLY 60 7.135 -11.436 9.395 532 HA2 GLY 60 1HA GLY 60 9.058 -9.589 10.481 533 HA3 GLY 60 2HA GLY 60 8.357 -11.011 11.285 534 H ASP 61 H ASP 61 9.147 -12.977 9.381 535 HA ASP 61 HA ASP 61 11.827 -13.585 10.130 536 HB2 ASP 61 1HB ASP 61 10.332 -14.447 7.605 537 HB3 ASP 61 2HB ASP 61 11.784 -15.216 8.250 538 H CYS 62 H CYS 62 10.388 -12.012 7.275 539 HA CYS 62 HA CYS 62 12.798 -11.624 5.819 540 HB2 CYS 62 1HB CYS 62 10.027 -10.893 5.618 541 HB3 CYS 62 2HB CYS 62 11.009 -9.458 5.338 542 HG CYS 62 HG CYS 62 10.708 -10.112 3.011 543 H PHE 63 H PHE 63 11.138 -9.452 8.212 544 HA PHE 63 HA PHE 63 13.008 -7.303 7.803 545 HB2 PHE 63 1HB PHE 63 11.475 -8.050 10.311 546 HB3 PHE 63 2HB PHE 63 12.377 -6.560 10.099 547 HD1 PHE 63 HD1 PHE 63 11.575 -5.941 7.188 548 HD2 PHE 63 HD2 PHE 63 9.290 -7.125 10.644 549 HE1 PHE 63 HE1 PHE 63 9.577 -4.791 6.260 550 HE2 PHE 63 HE2 PHE 63 7.300 -5.944 9.724 551 HZ PHE 63 HZ PHE 63 7.438 -4.785 7.528 552 H GLN 64 H GLN 64 13.033 -10.187 9.910 553 HA GLN 64 HA GLN 64 15.316 -9.427 11.464 554 HB2 GLN 64 1HB GLN 64 13.835 -11.300 12.081 555 HB3 GLN 64 2HB GLN 64 14.269 -12.148 10.602 556 HG2 GLN 64 1HG GLN 64 16.670 -12.179 11.446 557 HG3 GLN 64 2HG GLN 64 16.022 -11.652 13.007 558 HE21 GLN 64 2HE2 GLN 64 15.966 -14.196 10.529 559 HE22 GLN 64 1HE2 GLN 64 15.411 -15.457 11.611 560 H ASP 65 H ASP 65 15.001 -11.438 8.501 561 HA ASP 65 HA ASP 65 17.820 -11.879 8.327 562 HB2 ASP 65 1HB ASP 65 15.593 -12.088 6.278 563 HB3 ASP 65 2HB ASP 65 17.260 -12.601 5.989 564 H TYR 66 H TYR 66 15.675 -9.424 6.856 565 HA TYR 66 HA TYR 66 17.751 -8.325 5.186 566 HB2 TYR 66 1HB TYR 66 15.130 -7.998 5.193 567 HB3 TYR 66 2HB TYR 66 15.505 -6.630 6.242 568 HD1 TYR 66 HD1 TYR 66 17.484 -5.038 5.252 569 HD2 TYR 66 HD2 TYR 66 15.062 -7.703 2.893 570 HE1 TYR 66 HE1 TYR 66 18.050 -3.752 3.197 571 HE2 TYR 66 HE2 TYR 66 15.612 -6.382 0.851 572 HH TYR 66 HH TYR 66 16.808 -4.628 -0.019 573 H PHE 67 H PHE 67 16.689 -7.765 8.557 574 HA PHE 67 HA PHE 67 18.347 -5.432 9.000 575 HB2 PHE 67 1HB PHE 67 16.505 -6.156 10.503 576 HB3 PHE 67 2HB PHE 67 17.440 -7.582 10.957 577 HD1 PHE 67 HD2 PHE 67 19.576 -7.311 12.272 578 HD2 PHE 67 HD1 PHE 67 16.898 -4.029 11.515 579 HE1 PHE 67 HE2 PHE 67 20.642 -6.020 14.113 580 HE2 PHE 67 HE1 PHE 67 17.939 -2.742 13.361 581 HZ PHE 67 HZ PHE 67 19.823 -3.729 14.666 582 H ASN 68 H ASN 68 18.935 -8.958 9.258 583 HA ASN 68 HA ASN 68 21.588 -8.672 10.354 584 HB2 ASN 68 1HB ASN 68 20.287 -10.914 8.755 585 HB3 ASN 68 2HB ASN 68 21.885 -11.027 9.501 586 HD21 ASN 68 2HD2 ASN 68 19.376 -12.538 9.976 587 HD22 ASN 68 1HD2 ASN 68 19.092 -12.376 11.690 588 H THR 69 H THR 69 20.285 -8.550 7.087 589 HA THR 69 HA THR 69 22.897 -8.852 5.818 590 HB THR 69 HB THR 69 20.248 -7.917 4.603 591 HG1 THR 69 HG1 THR 69 20.016 -9.968 5.564 592 HG21 THR 69 1HG2 THR 69 21.202 -8.882 2.520 593 HG22 THR 69 2HG2 THR 69 22.728 -9.192 3.377 594 HG23 THR 69 3HG2 THR 69 22.172 -7.520 3.122 595 H PHE 70 H PHE 70 20.667 -6.121 6.485 596 HA PHE 70 HA PHE 70 22.689 -4.294 5.241 597 HB2 PHE 70 1HB PHE 70 19.749 -4.522 5.117 598 HB3 PHE 70 2HB PHE 70 20.376 -2.890 5.280 599 HD1 PHE 70 HD2 PHE 70 20.253 -5.847 3.088 600 HD2 PHE 70 HD1 PHE 70 21.686 -1.820 3.559 601 HE1 PHE 70 HE2 PHE 70 20.763 -5.752 0.652 602 HE2 PHE 70 HE1 PHE 70 22.198 -1.707 1.125 603 HZ PHE 70 HZ PHE 70 21.735 -3.676 -0.338 604 H GLY 71 H GLY 71 21.587 -5.090 8.304 605 HA2 GLY 71 1HA GLY 71 22.165 -4.057 10.266 606 HA3 GLY 71 2HA GLY 71 22.844 -2.713 9.351 607 HA PRO 72 HA PRO 72 18.936 -1.514 11.684 608 HB2 PRO 72 1HB PRO 72 20.052 0.331 13.366 609 HB3 PRO 72 2HB PRO 72 20.013 -1.423 13.735 610 HG2 PRO 72 1HG PRO 72 22.225 0.180 12.479 611 HG3 PRO 72 2HG PRO 72 22.292 -0.913 13.901 612 HD2 PRO 72 1HD PRO 72 23.011 -1.792 11.482 613 HD3 PRO 72 2HD PRO 72 22.035 -2.840 12.569 614 H GLU 73 H GLU 73 21.415 0.192 9.892 615 HA GLU 73 HA GLU 73 20.005 2.734 9.845 616 HB2 GLU 73 1HB GLU 73 21.491 3.209 7.876 617 HB3 GLU 73 2HB GLU 73 22.320 2.825 9.382 618 HG2 GLU 73 1HG GLU 73 21.855 0.555 7.495 619 HG3 GLU 73 2HG GLU 73 23.029 1.791 7.015 620 H LYS 74 H LYS 74 19.715 -0.271 8.034 621 HA LYS 74 HA LYS 74 17.958 1.112 6.070 622 HB2 LYS 74 1HB LYS 74 19.766 -0.680 5.537 623 HB3 LYS 74 2HB LYS 74 18.540 -1.841 6.052 624 HG2 LYS 74 1HG LYS 74 18.072 0.249 3.873 625 HG3 LYS 74 2HG LYS 74 18.697 -1.374 3.545 626 HD2 LYS 74 1HD LYS 74 16.632 -2.331 4.597 627 HD3 LYS 74 2HD LYS 74 15.982 -0.694 4.729 628 HE2 LYS 74 1HE LYS 74 16.053 -0.401 2.314 629 HE3 LYS 74 2HE LYS 74 16.822 -1.992 2.116 630 HZ1 LYS 74 3HZ LYS 74 14.165 -1.648 3.376 631 HZ2 LYS 74 1HZ LYS 74 14.858 -3.054 2.864 632 HZ3 LYS 74 2HZ LYS 74 14.340 -1.928 1.769 633 H VAL 75 H VAL 75 17.800 -1.605 8.482 634 HA VAL 75 HA VAL 75 14.816 -1.192 8.360 635 HB VAL 75 HB VAL 75 16.442 -3.540 9.478 636 HG11 VAL 75 1HG1 VAL 75 14.243 -4.698 9.674 637 HG12 VAL 75 2HG1 VAL 75 14.341 -3.268 10.716 638 HG13 VAL 75 3HG1 VAL 75 13.424 -3.194 9.193 639 HG21 VAL 75 3HG2 VAL 75 15.485 -4.849 7.600 640 HG22 VAL 75 1HG2 VAL 75 14.780 -3.361 6.933 641 HG23 VAL 75 2HG2 VAL 75 16.547 -3.545 7.044 642 HA PRO 76 HA PRO 76 15.896 0.453 12.342 643 HB2 PRO 76 1HB PRO 76 13.540 1.486 13.171 644 HB3 PRO 76 2HB PRO 76 14.453 2.212 11.820 645 HG2 PRO 76 1HG PRO 76 12.100 0.374 11.730 646 HG3 PRO 76 2HG PRO 76 12.398 1.869 10.802 647 HD2 PRO 76 1HD PRO 76 12.868 -0.680 9.827 648 HD3 PRO 76 2HD PRO 76 13.752 0.782 9.269 649 H VAL 77 H VAL 77 15.643 -0.133 14.587 650 HA VAL 77 HA VAL 77 14.628 -2.771 15.039 651 HB VAL 77 HB VAL 77 15.034 -2.302 17.448 652 HG11 VAL 77 1HG1 VAL 77 17.462 -2.019 17.269 653 HG12 VAL 77 2HG1 VAL 77 16.874 -3.044 15.944 654 HG13 VAL 77 3HG1 VAL 77 17.296 -1.344 15.632 655 HG21 VAL 77 3HG2 VAL 77 15.799 0.510 16.517 656 HG22 VAL 77 1HG2 VAL 77 14.377 0.094 17.507 657 HG23 VAL 77 2HG2 VAL 77 16.007 -0.148 18.153 658 H THR 78 H THR 78 13.079 0.356 15.047 659 HA THR 78 HA THR 78 10.853 -0.482 16.705 660 HB THR 78 HB THR 78 11.543 1.951 16.186 661 HG1 THR 78 HG1 THR 78 9.350 2.582 16.415 662 HG21 THR 78 1HG2 THR 78 11.436 1.701 13.694 663 HG22 THR 78 2HG2 THR 78 10.514 3.060 14.358 664 HG23 THR 78 3HG2 THR 78 9.672 1.578 13.863 665 H ALA 79 H ALA 79 11.756 -1.115 13.399 666 HA ALA 79 HA ALA 79 9.095 -1.352 12.344 667 HB1 ALA 79 3HB ALA 79 11.677 -2.766 11.600 668 HB2 ALA 79 1HB ALA 79 10.169 -2.841 10.658 669 HB3 ALA 79 2HB ALA 79 11.005 -1.291 10.870 670 H PHE 80 H PHE 80 11.188 -3.526 14.232 671 HA PHE 80 HA PHE 80 9.460 -5.820 13.974 672 HB2 PHE 80 1HB PHE 80 11.472 -5.086 16.130 673 HB3 PHE 80 2HB PHE 80 10.745 -6.680 15.900 674 HD1 PHE 80 HD1 PHE 80 11.375 -8.096 13.990 675 HD2 PHE 80 HD2 PHE 80 13.228 -4.274 14.645 676 HE1 PHE 80 HE1 PHE 80 13.178 -8.702 12.401 677 HE2 PHE 80 HE2 PHE 80 15.032 -4.856 13.039 678 HZ PHE 80 HZ PHE 80 15.009 -7.083 11.910 679 H SER 81 H SER 81 9.574 -3.033 16.127 680 HA SER 81 HA SER 81 7.736 -4.110 18.101 681 HB2 SER 81 1HB SER 81 9.322 -2.249 18.580 682 HB3 SER 81 2HB SER 81 8.429 -1.213 17.448 683 HG SER 81 HG SER 81 7.790 -0.943 19.651 684 H TYR 82 H TYR 82 7.479 -1.887 15.309 685 HA TYR 82 HA TYR 82 4.646 -1.516 15.439 686 HB2 TYR 82 1HB TYR 82 6.812 -1.183 13.404 687 HB3 TYR 82 2HB TYR 82 5.163 -1.342 12.790 688 HD1 TYR 82 HD2 TYR 82 3.444 0.315 13.262 689 HD2 TYR 82 HD1 TYR 82 7.472 0.834 14.732 690 HE1 TYR 82 HE2 TYR 82 2.982 2.729 13.738 691 HE2 TYR 82 HE1 TYR 82 6.988 3.236 15.194 692 HH TYR 82 HH TYR 82 5.418 5.021 14.729 693 H TRP 83 H TRP 83 6.708 -3.909 13.743 694 HA TRP 83 HA TRP 83 4.660 -5.226 12.346 695 HB2 TRP 83 1HB TRP 83 7.057 -5.647 11.988 696 HB3 TRP 83 2HB TRP 83 7.207 -6.306 13.612 697 HD1 TRP 83 HD1 TRP 83 5.774 -7.238 10.183 698 HE1 TRP 83 HE1 TRP 83 5.324 -9.740 10.078 699 HE3 TRP 83 HE3 TRP 83 6.783 -8.345 15.074 700 HZ2 TRP 83 HZ2 TRP 83 5.362 -11.911 11.886 701 HZ3 TRP 83 HZ3 TRP 83 6.591 -10.712 15.828 702 HH2 TRP 83 HH2 TRP 83 5.872 -12.487 14.230 703 H ASN 84 H ASN 84 5.771 -5.631 15.694 704 HA ASN 84 HA ASN 84 4.239 -7.999 16.238 705 HB2 ASN 84 1HB ASN 84 5.767 -6.006 17.826 706 HB3 ASN 84 2HB ASN 84 4.478 -6.861 18.684 707 HD21 ASN 84 2HD2 ASN 84 7.648 -7.050 17.428 708 HD22 ASN 84 1HD2 ASN 84 7.936 -8.727 17.845 709 H LEU 85 H LEU 85 3.544 -4.530 16.471 710 HA LEU 85 HA LEU 85 1.108 -4.736 17.932 711 HB2 LEU 85 1HB LEU 85 2.427 -2.673 17.485 712 HB3 LEU 85 2HB LEU 85 1.919 -2.712 15.811 713 HG LEU 85 HG LEU 85 -0.129 -2.493 18.002 714 HD11 LEU 85 1HD1 LEU 85 1.525 -0.244 16.773 715 HD12 LEU 85 2HD1 LEU 85 1.580 -0.787 18.466 716 HD13 LEU 85 3HD1 LEU 85 0.111 -0.021 17.826 717 HD21 LEU 85 3HD2 LEU 85 -1.356 -1.184 16.273 718 HD22 LEU 85 1HD2 LEU 85 -1.002 -2.829 15.721 719 HD23 LEU 85 2HD2 LEU 85 -0.025 -1.470 15.127 720 H ILE 86 H ILE 86 1.741 -4.800 14.366 721 HA ILE 86 HA ILE 86 -1.092 -5.176 13.822 722 HB ILE 86 HB ILE 86 1.332 -5.648 12.015 723 HG12 ILE 86 1HG1 ILE 86 0.069 -3.631 10.843 724 HG13 ILE 86 2HG1 ILE 86 -0.591 -3.348 12.453 725 HG21 ILE 86 1HG2 ILE 86 -1.672 -5.734 11.464 726 HG22 ILE 86 2HG2 ILE 86 -0.429 -5.617 10.181 727 HG23 ILE 86 3HG2 ILE 86 -0.491 -7.041 11.232 728 HD11 ILE 86 3HD1 ILE 86 1.496 -2.034 11.744 729 HD12 ILE 86 1HD1 ILE 86 1.533 -2.817 13.335 730 HD13 ILE 86 2HD1 ILE 86 2.392 -3.556 11.963 731 H LYS 87 H LYS 87 1.694 -7.293 14.456 732 HA LYS 87 HA LYS 87 0.521 -9.705 13.519 733 HB2 LYS 87 1HB LYS 87 2.589 -10.357 14.087 734 HB3 LYS 87 2HB LYS 87 2.813 -8.940 15.098 735 HG2 LYS 87 1HG LYS 87 1.739 -10.080 16.979 736 HG3 LYS 87 2HG LYS 87 1.490 -11.511 15.964 737 HD2 LYS 87 1HD LYS 87 3.841 -11.886 15.828 738 HD3 LYS 87 2HD LYS 87 4.183 -10.303 16.546 739 HE2 LYS 87 1HE LYS 87 4.410 -12.129 18.209 740 HE3 LYS 87 2HE LYS 87 3.160 -10.949 18.642 741 HZ1 LYS 87 3HZ LYS 87 2.306 -13.133 19.008 742 HZ2 LYS 87 1HZ LYS 87 2.689 -13.634 17.485 743 HZ3 LYS 87 2HZ LYS 87 1.499 -12.521 17.704 744 H GLU 88 H GLU 88 0.216 -8.115 16.756 745 HA GLU 88 HA GLU 88 -1.427 -10.320 17.677 746 HB2 GLU 88 1HB GLU 88 -1.852 -8.952 19.656 747 HB3 GLU 88 2HB GLU 88 -0.136 -9.093 19.269 748 HG2 GLU 88 1HG GLU 88 -0.226 -6.852 18.225 749 HG3 GLU 88 2HG GLU 88 -1.898 -6.691 18.781 750 H LEU 89 H LEU 89 -2.076 -7.270 16.022 751 HA LEU 89 HA LEU 89 -4.890 -7.234 16.380 752 HB2 LEU 89 1HB LEU 89 -2.910 -6.016 14.602 753 HB3 LEU 89 2HB LEU 89 -4.450 -6.347 13.806 754 HG LEU 89 HG LEU 89 -5.580 -5.168 15.692 755 HD11 LEU 89 1HD1 LEU 89 -3.786 -5.236 17.386 756 HD12 LEU 89 2HD1 LEU 89 -4.358 -3.585 17.072 757 HD13 LEU 89 3HD1 LEU 89 -2.819 -4.139 16.378 758 HD21 LEU 89 3HD2 LEU 89 -5.200 -4.127 13.496 759 HD22 LEU 89 1HD2 LEU 89 -3.602 -3.556 14.038 760 HD23 LEU 89 2HD2 LEU 89 -5.083 -2.919 14.793 761 H ILE 90 H ILE 90 -2.787 -8.969 14.074 762 HA ILE 90 HA ILE 90 -5.086 -10.140 12.707 763 HB ILE 90 HB ILE 90 -2.136 -10.933 12.575 764 HG12 ILE 90 1HG1 ILE 90 -3.778 -9.305 10.586 765 HG13 ILE 90 2HG1 ILE 90 -2.748 -8.563 11.806 766 HG21 ILE 90 1HG2 ILE 90 -3.658 -12.745 11.829 767 HG22 ILE 90 2HG2 ILE 90 -4.512 -11.598 10.768 768 HG23 ILE 90 3HG2 ILE 90 -2.823 -12.037 10.440 769 HD11 ILE 90 3HD1 ILE 90 -0.776 -9.792 10.839 770 HD12 ILE 90 1HD1 ILE 90 -1.832 -10.359 9.524 771 HD13 ILE 90 2HD1 ILE 90 -1.521 -8.625 9.728 772 H ASP 91 H ASP 91 -2.740 -11.240 15.208 773 HA ASP 91 HA ASP 91 -3.562 -13.973 15.318 774 HB2 ASP 91 1HB ASP 91 -2.399 -12.058 17.357 775 HB3 ASP 91 2HB ASP 91 -2.964 -13.646 17.866 776 H LYS 92 H LYS 92 -4.930 -11.017 16.746 777 HA LYS 92 HA LYS 92 -7.194 -12.686 17.750 778 HB2 LYS 92 1HB LYS 92 -6.055 -10.073 18.758 779 HB3 LYS 92 2HB LYS 92 -7.617 -10.705 19.281 780 HG2 LYS 92 1HG LYS 92 -4.984 -12.191 19.595 781 HG3 LYS 92 2HG LYS 92 -5.788 -11.258 20.873 782 HD2 LYS 92 1HD LYS 92 -7.774 -12.742 20.716 783 HD3 LYS 92 2HD LYS 92 -6.985 -13.671 19.432 784 HE2 LYS 92 1HE LYS 92 -5.171 -14.286 20.976 785 HE3 LYS 92 2HE LYS 92 -6.033 -13.445 22.292 786 HZ1 LYS 92 3HZ LYS 92 -7.861 -14.944 22.032 787 HZ2 LYS 92 1HZ LYS 92 -6.512 -15.892 22.090 788 HZ3 LYS 92 2HZ LYS 92 -7.263 -15.597 20.644 789 H LYS 93 H LYS 93 -6.916 -11.803 14.995 790 HA LYS 93 HA LYS 93 -8.899 -9.732 14.598 791 HB2 LYS 93 1HB LYS 93 -8.969 -10.367 12.330 792 HB3 LYS 93 2HB LYS 93 -7.294 -10.550 12.836 793 HG2 LYS 93 1HG LYS 93 -7.619 -13.011 12.999 794 HG3 LYS 93 2HG LYS 93 -9.310 -12.819 12.507 795 HD2 LYS 93 1HD LYS 93 -8.761 -12.707 10.332 796 HD3 LYS 93 2HD LYS 93 -7.558 -11.446 10.645 797 HE2 LYS 93 1HE LYS 93 -6.405 -13.291 9.654 798 HE3 LYS 93 2HE LYS 93 -5.945 -13.219 11.361 799 HZ1 LYS 93 3HZ LYS 93 -7.927 -15.089 10.223 800 HZ2 LYS 93 1HZ LYS 93 -7.441 -15.038 11.801 801 HZ3 LYS 93 2HZ LYS 93 -6.365 -15.465 10.618 802 H GLU 94 H GLU 94 -8.935 -13.005 15.585 803 HA GLU 94 HA GLU 94 -11.561 -13.822 14.846 804 HB2 GLU 94 1HB GLU 94 -11.187 -15.617 16.431 805 HB3 GLU 94 2HB GLU 94 -9.689 -15.306 15.542 806 HG2 GLU 94 1HG GLU 94 -8.887 -13.919 17.490 807 HG3 GLU 94 2HG GLU 94 -10.333 -14.403 18.378 808 H VAL 95 H VAL 95 -10.513 -11.632 17.302 809 HA VAL 95 HA VAL 95 -13.260 -11.791 18.444 810 HB VAL 95 HB VAL 95 -11.279 -12.870 19.729 811 HG11 VAL 95 1HG1 VAL 95 -9.721 -10.985 19.529 812 HG12 VAL 95 2HG1 VAL 95 -10.809 -9.976 20.519 813 HG13 VAL 95 3HG1 VAL 95 -10.039 -11.414 21.222 814 HG21 VAL 95 3HG2 VAL 95 -13.169 -10.958 21.078 815 HG22 VAL 95 1HG2 VAL 95 -13.521 -12.617 20.528 816 HG23 VAL 95 2HG2 VAL 95 -12.340 -12.345 21.830 817 H ASN 96 H ASN 96 -11.339 -9.982 16.616 818 HA ASN 96 HA ASN 96 -12.425 -7.418 17.727 819 HB2 ASN 96 1HB ASN 96 -9.716 -8.030 16.527 820 HB3 ASN 96 2HB ASN 96 -10.394 -6.398 16.523 821 HD21 ASN 96 2HD2 ASN 96 -8.776 -8.773 18.351 822 HD22 ASN 96 1HD2 ASN 96 -8.715 -7.861 19.848 823 HA PRO 97 HA PRO 97 -13.958 -8.236 13.490 824 HB2 PRO 97 1HB PRO 97 -16.358 -6.923 13.682 825 HB3 PRO 97 2HB PRO 97 -16.113 -8.605 14.253 826 HG2 PRO 97 1HG PRO 97 -16.001 -6.048 15.846 827 HG3 PRO 97 2HG PRO 97 -16.939 -7.542 16.177 828 HD2 PRO 97 1HD PRO 97 -14.581 -7.113 17.384 829 HD3 PRO 97 2HD PRO 97 -15.005 -8.754 16.780 830 H GLN 98 H GLN 98 -13.467 -5.303 15.324 831 HA GLN 98 HA GLN 98 -13.931 -3.380 13.276 832 HB2 GLN 98 1HB GLN 98 -13.445 -3.087 15.842 833 HB3 GLN 98 2HB GLN 98 -11.740 -3.156 15.373 834 HG2 GLN 98 1HG GLN 98 -12.344 -0.869 15.533 835 HG3 GLN 98 2HG GLN 98 -12.167 -1.239 13.810 836 HE21 GLN 98 2HE2 GLN 98 -14.622 -1.050 16.407 837 HE22 GLN 98 1HE2 GLN 98 -15.901 -0.472 15.365 838 H VAL 99 H VAL 99 -11.068 -5.286 14.271 839 HA VAL 99 HA VAL 99 -9.529 -4.062 12.135 840 HB VAL 99 HB VAL 99 -7.595 -5.074 12.981 841 HG11 VAL 99 1HG1 VAL 99 -7.599 -4.530 15.357 842 HG12 VAL 99 2HG1 VAL 99 -8.626 -3.366 14.504 843 HG13 VAL 99 3HG1 VAL 99 -9.358 -4.687 15.445 844 HG21 VAL 99 3HG2 VAL 99 -7.639 -6.936 14.683 845 HG22 VAL 99 1HG2 VAL 99 -9.373 -7.108 14.358 846 HG23 VAL 99 2HG2 VAL 99 -8.201 -7.394 13.065 847 H MET 100 H MET 100 -11.288 -7.057 12.714 848 HA MET 100 HA MET 100 -10.135 -8.599 10.618 849 HB2 MET 100 1HB MET 100 -12.022 -9.011 12.537 850 HB3 MET 100 2HB MET 100 -13.051 -8.846 11.130 851 HG2 MET 100 1HG MET 100 -10.897 -10.890 11.666 852 HG3 MET 100 2HG MET 100 -12.618 -11.175 11.451 853 HE1 MET 100 3HE MET 100 -13.093 -10.963 7.579 854 HE2 MET 100 1HE MET 100 -13.835 -11.391 9.139 855 HE3 MET 100 2HE MET 100 -13.457 -9.690 8.765 856 H ALA 101 H ALA 101 -12.805 -6.202 10.648 857 HA ALA 101 HA ALA 101 -13.532 -6.514 7.905 858 HB1 ALA 101 3HB ALA 101 -14.491 -4.231 8.163 859 HB2 ALA 101 1HB ALA 101 -14.927 -5.301 9.518 860 HB3 ALA 101 2HB ALA 101 -13.655 -4.074 9.727 861 H ALA 102 H ALA 102 -10.843 -4.820 9.471 862 HA ALA 102 HA ALA 102 -10.145 -3.324 7.070 863 HB1 ALA 102 3HB ALA 102 -8.200 -2.601 8.320 864 HB2 ALA 102 1HB ALA 102 -9.601 -2.542 9.414 865 HB3 ALA 102 2HB ALA 102 -8.433 -3.876 9.534 866 H VAL 103 H VAL 103 -9.253 -6.424 8.621 867 HA VAL 103 HA VAL 103 -6.979 -7.002 6.990 868 HB VAL 103 HB VAL 103 -9.041 -8.932 8.191 869 HG11 VAL 103 1HG1 VAL 103 -6.302 -9.488 6.998 870 HG12 VAL 103 2HG1 VAL 103 -7.236 -10.656 7.956 871 HG13 VAL 103 3HG1 VAL 103 -7.866 -10.081 6.403 872 HG21 VAL 103 3HG2 VAL 103 -7.803 -7.538 9.852 873 HG22 VAL 103 1HG2 VAL 103 -7.439 -9.259 9.994 874 HG23 VAL 103 2HG2 VAL 103 -6.276 -8.167 9.210 875 H ALA 104 H ALA 104 -10.453 -7.815 6.597 876 HA ALA 104 HA ALA 104 -10.162 -9.083 4.073 877 HB1 ALA 104 3HB ALA 104 -12.185 -9.267 5.482 878 HB2 ALA 104 1HB ALA 104 -12.545 -7.543 5.210 879 HB3 ALA 104 2HB ALA 104 -12.598 -8.690 3.849 880 H GLN 105 H GLN 105 -10.901 -5.655 4.891 881 HA GLN 105 HA GLN 105 -11.122 -4.765 2.197 882 HB2 GLN 105 1HB GLN 105 -10.479 -3.438 4.822 883 HB3 GLN 105 2HB GLN 105 -10.216 -2.557 3.308 884 HG2 GLN 105 1HG GLN 105 -12.591 -3.051 2.674 885 HG3 GLN 105 2HG GLN 105 -12.833 -3.704 4.302 886 HE21 GLN 105 2HE2 GLN 105 -13.919 -2.276 5.484 887 HE22 GLN 105 1HE2 GLN 105 -13.626 -0.552 5.523 888 H THR 106 H THR 106 -8.233 -5.247 4.267 889 HA THR 106 HA THR 106 -6.472 -3.833 2.505 890 HB THR 106 HB THR 106 -5.607 -6.265 4.115 891 HG1 THR 106 HG1 THR 106 -6.831 -4.804 5.447 892 HG21 THR 106 1HG2 THR 106 -4.280 -3.639 3.347 893 HG22 THR 106 2HG2 THR 106 -3.911 -5.245 2.669 894 HG23 THR 106 3HG2 THR 106 -3.558 -4.894 4.371 895 H GLU 107 H GLU 107 -7.493 -7.294 2.682 896 HA GLU 107 HA GLU 107 -5.810 -8.167 0.542 897 HB2 GLU 107 1HB GLU 107 -8.513 -9.249 1.430 898 HB3 GLU 107 2HB GLU 107 -7.373 -10.075 0.360 899 HG2 GLU 107 1HG GLU 107 -5.683 -9.966 2.245 900 HG3 GLU 107 2HG GLU 107 -6.972 -9.403 3.293 901 H GLU 108 H GLU 108 -9.155 -6.856 0.550 902 HA GLU 108 HA GLU 108 -9.645 -7.215 -2.250 903 HB2 GLU 108 1HB GLU 108 -10.662 -5.147 -0.267 904 HB3 GLU 108 2HB GLU 108 -11.269 -5.299 -1.915 905 HG2 GLU 108 1HG GLU 108 -12.059 -7.560 -1.448 906 HG3 GLU 108 2HG GLU 108 -11.428 -7.455 0.203 907 H ILE 109 H ILE 109 -8.438 -4.384 -0.405 908 HA ILE 109 HA ILE 109 -8.224 -2.698 -2.708 909 HB ILE 109 HB ILE 109 -6.791 -2.544 -0.011 910 HG12 ILE 109 1HG1 ILE 109 -9.071 -0.818 -1.041 911 HG13 ILE 109 2HG1 ILE 109 -9.380 -2.344 -0.219 912 HG21 ILE 109 1HG2 ILE 109 -5.464 -1.239 -1.636 913 HG22 ILE 109 2HG2 ILE 109 -6.933 -0.491 -2.302 914 HG23 ILE 109 3HG2 ILE 109 -6.394 -0.095 -0.656 915 HD11 ILE 109 3HD1 ILE 109 -8.117 -1.503 1.769 916 HD12 ILE 109 1HD1 ILE 109 -7.972 0.076 0.960 917 HD13 ILE 109 2HD1 ILE 109 -9.575 -0.561 1.388 918 H LEU 110 H LEU 110 -5.889 -4.939 -1.136 919 HA LEU 110 HA LEU 110 -3.647 -4.086 -2.674 920 HB2 LEU 110 1HB LEU 110 -4.416 -6.476 -1.097 921 HB3 LEU 110 2HB LEU 110 -3.173 -6.740 -2.307 922 HG LEU 110 HG LEU 110 -1.645 -5.327 -1.270 923 HD11 LEU 110 1HD1 LEU 110 -3.872 -4.159 0.433 924 HD12 LEU 110 2HD1 LEU 110 -2.868 -3.313 -0.760 925 HD13 LEU 110 3HD1 LEU 110 -2.148 -3.902 0.746 926 HD21 LEU 110 3HD2 LEU 110 -3.234 -6.656 0.948 927 HD22 LEU 110 1HD2 LEU 110 -1.505 -6.237 1.001 928 HD23 LEU 110 2HD2 LEU 110 -2.087 -7.478 -0.128 929 H LYS 111 H LYS 111 -6.137 -6.590 -3.440 930 HA LYS 111 HA LYS 111 -4.802 -7.205 -5.948 931 HB2 LYS 111 1HB LYS 111 -7.637 -7.789 -5.024 932 HB3 LYS 111 2HB LYS 111 -6.857 -8.483 -6.454 933 HG2 LYS 111 1HG LYS 111 -5.938 -8.873 -3.574 934 HG3 LYS 111 2HG LYS 111 -6.829 -10.058 -4.541 935 HD2 LYS 111 1HD LYS 111 -4.957 -10.248 -6.103 936 HD3 LYS 111 2HD LYS 111 -4.100 -8.931 -5.283 937 HE2 LYS 111 1HE LYS 111 -3.157 -11.057 -4.639 938 HE3 LYS 111 2HE LYS 111 -3.893 -10.220 -3.270 939 HZ1 LYS 111 3HZ LYS 111 -5.157 -12.442 -4.745 940 HZ2 LYS 111 1HZ LYS 111 -5.773 -11.687 -3.411 941 HZ3 LYS 111 2HZ LYS 111 -4.385 -12.578 -3.290 942 H SER 112 H SER 112 -7.371 -4.951 -5.009 943 HA SER 112 HA SER 112 -8.032 -4.183 -7.715 944 HB2 SER 112 1HB SER 112 -9.407 -3.660 -5.696 945 HB3 SER 112 2HB SER 112 -8.142 -2.540 -5.151 946 HG SER 112 HG SER 112 -9.959 -1.624 -6.379 947 H ASN 113 H ASN 113 -5.523 -3.256 -5.397 948 HA ASN 113 HA ASN 113 -4.518 -1.022 -6.878 949 HB2 ASN 113 1HB ASN 113 -4.121 -1.761 -4.407 950 HB3 ASN 113 2HB ASN 113 -2.847 -2.791 -5.059 951 HD21 ASN 113 2HD2 ASN 113 -3.464 0.032 -3.620 952 HD22 ASN 113 1HD2 ASN 113 -2.158 1.013 -4.251 953 H SER 114 H SER 114 -3.779 -4.478 -6.778 954 HA SER 114 HA SER 114 -1.528 -4.255 -8.617 955 HB2 SER 114 1HB SER 114 -2.928 -6.719 -7.526 956 HB3 SER 114 2HB SER 114 -1.317 -6.647 -8.272 957 HG SER 114 HG SER 114 -2.192 -5.613 -5.782 958 H GLN 115 H GLN 115 -4.284 -3.539 -9.655 959 HA GLN 115 HA GLN 115 -4.997 -5.554 -11.609 960 HB2 GLN 115 1HB GLN 115 -5.443 -2.566 -11.383 961 HB3 GLN 115 2HB GLN 115 -5.993 -3.486 -12.790 962 HG2 GLN 115 1HG GLN 115 -7.464 -4.825 -11.455 963 HG3 GLN 115 2HG GLN 115 -6.808 -4.160 -9.956 964 HE21 GLN 115 2HE2 GLN 115 -9.283 -3.866 -9.804 965 HE22 GLN 115 1HE2 GLN 115 -9.881 -2.311 -10.326 966 H THR 116 H THR 116 -2.349 -3.372 -11.306 967 HA THR 116 HA THR 116 -1.552 -3.935 -14.109 968 HB THR 116 HB THR 116 -0.294 -1.779 -13.930 969 HG1 THR 116 HG1 THR 116 -0.590 -1.844 -11.512 970 HG21 THR 116 1HG2 THR 116 -3.308 -1.569 -13.588 971 HG22 THR 116 2HG2 THR 116 -2.443 -1.809 -15.123 972 HG23 THR 116 3HG2 THR 116 -2.268 -0.287 -14.221 973 H ASP 117 H ASP 117 0.286 -5.054 -14.223 974 HA ASP 117 HA ASP 117 1.680 -5.795 -11.770 975 HB2 ASP 117 1HB ASP 117 2.804 -7.394 -13.220 976 HB3 ASP 117 2HB ASP 117 1.078 -7.399 -13.621 977 H LEU 118 H LEU 118 1.925 -3.284 -13.803 978 HA LEU 118 HA LEU 118 4.630 -3.328 -14.607 979 HB2 LEU 118 1HB LEU 118 2.965 -0.871 -14.128 980 HB3 LEU 118 2HB LEU 118 4.362 -0.991 -15.168 981 HG LEU 118 HG LEU 118 1.676 -2.326 -15.653 982 HD11 LEU 118 1HD1 LEU 118 3.003 0.026 -17.058 983 HD12 LEU 118 2HD1 LEU 118 1.702 0.158 -15.856 984 HD13 LEU 118 3HD1 LEU 118 1.402 -0.662 -17.406 985 HD21 LEU 118 3HD2 LEU 118 2.593 -2.787 -17.927 986 HD22 LEU 118 1HD2 LEU 118 3.442 -3.672 -16.651 987 HD23 LEU 118 2HD2 LEU 118 4.189 -2.226 -17.374 988 H GLU 119 H GLU 119 6.453 -2.737 -13.784 989 HA GLU 119 HA GLU 119 6.811 -2.027 -11.022 990 HB2 GLU 119 1HB GLU 119 8.738 -2.957 -11.811 991 HB3 GLU 119 2HB GLU 119 8.482 -2.378 -13.451 992 HG2 GLU 119 1HG GLU 119 9.315 -0.384 -11.346 993 HG3 GLU 119 2HG GLU 119 10.512 -1.524 -11.968 994 H HIS 120 H HIS 120 6.452 -0.274 -14.058 995 HA HIS 120 HA HIS 120 6.956 2.355 -12.981 996 HB2 HIS 120 1HB HIS 120 5.000 2.214 -15.195 997 HB3 HIS 120 2HB HIS 120 6.534 3.083 -15.092 998 HD1 HIS 120 HD1 HIS 120 8.733 1.119 -15.162 999 HD2 HIS 120 HD2 HIS 120 5.120 0.363 -17.187 1000 HE1 HIS 120 HE1 HIS 120 9.225 -0.624 -16.946 1001 H HIS 121 H HIS 121 5.766 3.138 -11.338 1002 HA HIS 121 HA HIS 121 3.403 1.893 -10.395 1003 HB2 HIS 121 1HB HIS 121 4.412 4.727 -9.878 1004 HB3 HIS 121 2HB HIS 121 3.164 3.909 -8.935 1005 HD1 HIS 121 HD1 HIS 121 5.708 1.372 -9.675 1006 HD2 HIS 121 HD2 HIS 121 5.355 4.554 -6.943 1007 HE1 HIS 121 HE1 HIS 121 7.373 0.940 -7.807 1008 H HIS 122 H HIS 122 1.617 1.732 -11.649 1009 HA HIS 122 HA HIS 122 1.013 3.658 -13.655 1010 HB2 HIS 122 1HB HIS 122 0.416 1.111 -13.406 1011 HB3 HIS 122 2HB HIS 122 -1.048 1.714 -12.622 1012 HD1 HIS 122 HD1 HIS 122 -1.758 4.139 -14.430 1013 HD2 HIS 122 HD2 HIS 122 -0.450 0.430 -15.905 1014 HE1 HIS 122 HE1 HIS 122 -2.603 3.944 -16.835 1015 H HIS 123 H HIS 123 -0.221 3.393 -10.324 1016 HA HIS 123 HA HIS 123 -2.591 4.953 -10.846 1017 HB2 HIS 123 1HB HIS 123 -1.110 4.483 -8.227 1018 HB3 HIS 123 2HB HIS 123 -2.732 5.165 -8.381 1019 HD1 HIS 123 HD1 HIS 123 -2.306 2.604 -6.704 1020 HD2 HIS 123 HD2 HIS 123 -3.316 2.595 -10.793 1021 HE1 HIS 123 HE1 HIS 123 -3.344 0.345 -7.236 1022 H HIS 124 H HIS 124 0.605 5.831 -9.460 1023 HA HIS 124 HA HIS 124 0.164 8.655 -10.144 1024 HB2 HIS 124 1HB HIS 124 -0.996 8.006 -7.860 1025 HB3 HIS 124 2HB HIS 124 0.654 7.918 -7.234 1026 HD1 HIS 124 HD1 HIS 124 2.014 10.206 -7.054 1027 HD2 HIS 124 HD2 HIS 124 -1.990 10.572 -8.316 1028 HE1 HIS 124 HE1 HIS 124 1.370 12.673 -6.847 1029 H HIS 125 H HIS 125 2.186 9.828 -9.884 1030 HA HIS 125 HA HIS 125 4.632 8.240 -9.993 1031 HB2 HIS 125 1HB HIS 125 4.584 10.411 -11.128 1032 HB3 HIS 125 2HB HIS 125 4.070 11.213 -9.636 1033 HD1 HIS 125 HD1 HIS 125 7.152 9.713 -11.280 1034 HD2 HIS 125 HD2 HIS 125 6.097 11.767 -7.785 1035 HE1 HIS 125 HE1 HIS 125 9.328 10.413 -10.146 Start of MODEL 40 1 H21 MYR 1 1H2 MYR 1 1.353 0.451 -1.108 2 H22 MYR 1 2H2 MYR 1 2.507 -0.003 0.137 3 H31 MYR 1 1H3 MYR 1 -0.289 -1.268 -0.220 4 H32 MYR 1 2H3 MYR 1 1.210 -1.960 -0.825 5 H41 MYR 1 1H4 MYR 1 2.071 -1.958 1.619 6 H42 MYR 1 2H4 MYR 1 0.429 -1.573 2.119 7 H51 MYR 1 1H5 MYR 1 -0.424 -3.670 1.140 8 H52 MYR 1 2H5 MYR 1 1.143 -4.035 0.437 9 H61 MYR 1 1H6 MYR 1 1.408 -5.334 2.312 10 H62 MYR 1 2H6 MYR 1 1.974 -3.836 3.014 11 H71 MYR 1 1H7 MYR 1 -0.682 -3.562 3.641 12 H72 MYR 1 2H7 MYR 1 -0.659 -5.311 3.435 13 H81 MYR 1 1H8 MYR 1 1.567 -4.994 5.028 14 H82 MYR 1 2H8 MYR 1 0.659 -3.591 5.551 15 H91 MYR 1 1H9 MYR 1 0.284 -5.448 7.066 16 H92 MYR 1 2H9 MYR 1 -0.118 -6.553 5.767 17 H101 MYR 1 1H10 MYR 1 -2.274 -5.622 5.449 18 H102 MYR 1 2H10 MYR 1 -1.876 -4.108 6.257 19 H111 MYR 1 1H11 MYR 1 -2.114 -6.845 7.640 20 H112 MYR 1 2H11 MYR 1 -1.704 -5.326 8.440 21 H121 MYR 1 1H12 MYR 1 -3.949 -4.378 7.673 22 H122 MYR 1 2H12 MYR 1 -4.364 -5.972 7.047 23 H131 MYR 1 1H13 MYR 1 -4.205 -6.962 9.320 24 H132 MYR 1 2H13 MYR 1 -3.597 -5.445 9.985 25 H141 MYR 1 1H14 MYR 1 -5.755 -4.316 9.495 26 H142 MYR 1 2H14 MYR 1 -6.377 -5.795 8.740 27 H143 MYR 1 3H14 MYR 1 -6.030 -5.766 10.475 28 H GLY 2 H GLY 2 2.069 0.463 2.270 29 HA2 GLY 2 1HA GLY 2 -0.154 1.427 3.554 30 HA3 GLY 2 2HA GLY 2 1.494 1.794 4.037 31 H GLN 3 H GLN 3 2.134 3.426 1.661 32 HA GLN 3 HA GLN 3 1.245 5.969 2.619 33 HB2 GLN 3 1HB GLN 3 2.207 5.088 -0.130 34 HB3 GLN 3 2HB GLN 3 1.948 6.776 0.318 35 HG2 GLN 3 1HG GLN 3 3.717 6.715 1.929 36 HG3 GLN 3 2HG GLN 3 3.868 4.961 1.791 37 HE21 GLN 3 2HE2 GLN 3 4.646 4.050 -0.198 38 HE22 GLN 3 1HE2 GLN 3 5.679 5.001 -1.242 39 H GLU 4 H GLU 4 -0.007 3.837 0.050 40 HA GLU 4 HA GLU 4 -2.060 5.696 -0.793 41 HB2 GLU 4 1HB GLU 4 -1.613 4.303 -2.517 42 HB3 GLU 4 2HB GLU 4 -1.060 3.006 -1.465 43 HG2 GLU 4 1HG GLU 4 -3.443 2.418 -0.985 44 HG3 GLU 4 2HG GLU 4 -3.934 3.643 -2.168 45 H LEU 5 H LEU 5 -1.840 2.964 1.517 46 HA LEU 5 HA LEU 5 -4.664 2.740 1.885 47 HB2 LEU 5 1HB LEU 5 -2.286 1.984 3.562 48 HB3 LEU 5 2HB LEU 5 -3.891 1.923 4.253 49 HG LEU 5 HG LEU 5 -3.501 -0.260 3.661 50 HD11 LEU 5 1HD1 LEU 5 -5.652 0.626 2.743 51 HD12 LEU 5 2HD1 LEU 5 -5.043 -0.861 2.001 52 HD13 LEU 5 3HD1 LEU 5 -4.862 0.693 1.153 53 HD21 LEU 5 3HD2 LEU 5 -1.475 0.040 2.361 54 HD22 LEU 5 1HD2 LEU 5 -2.438 0.583 0.968 55 HD23 LEU 5 2HD2 LEU 5 -2.600 -1.079 1.577 56 H SER 6 H SER 6 -2.246 4.821 3.561 57 HA SER 6 HA SER 6 -4.191 6.015 5.321 58 HB2 SER 6 1HB SER 6 -2.377 7.957 5.153 59 HB3 SER 6 2HB SER 6 -2.076 6.461 6.053 60 HG SER 6 HG SER 6 -1.332 6.853 3.328 61 H GLN 7 H GLN 7 -3.806 6.337 1.935 62 HA GLN 7 HA GLN 7 -5.018 9.062 1.884 63 HB2 GLN 7 1HB GLN 7 -2.968 8.369 0.535 64 HB3 GLN 7 2HB GLN 7 -4.021 7.307 -0.394 65 HG2 GLN 7 1HG GLN 7 -5.263 9.204 -1.248 66 HG3 GLN 7 2HG GLN 7 -4.367 10.309 -0.188 67 HE21 GLN 7 2HE2 GLN 7 -3.962 7.983 -2.859 68 HE22 GLN 7 1HE2 GLN 7 -2.535 8.736 -3.538 69 H HIS 8 H HIS 8 -5.760 5.718 1.640 70 HA HIS 8 HA HIS 8 -8.069 5.976 -0.132 71 HB2 HIS 8 1HB HIS 8 -6.418 4.002 0.164 72 HB3 HIS 8 2HB HIS 8 -7.291 3.606 1.625 73 HD1 HIS 8 HD1 HIS 8 -8.320 1.397 0.807 74 HD2 HIS 8 HD2 HIS 8 -9.065 4.610 -1.783 75 HE1 HIS 8 HE1 HIS 8 -9.970 0.564 -0.947 76 H GLU 9 H GLU 9 -9.299 7.590 1.199 77 HA GLU 9 HA GLU 9 -9.927 7.354 3.853 78 HB2 GLU 9 1HB GLU 9 -11.498 8.488 1.576 79 HB3 GLU 9 2HB GLU 9 -12.173 8.481 3.210 80 HG2 GLU 9 1HG GLU 9 -9.517 9.731 2.425 81 HG3 GLU 9 2HG GLU 9 -11.032 10.613 2.672 82 H ARG 10 H ARG 10 -11.541 5.352 1.391 83 HA ARG 10 HA ARG 10 -13.712 4.414 2.966 84 HB2 ARG 10 1HB ARG 10 -12.369 3.685 0.534 85 HB3 ARG 10 2HB ARG 10 -12.491 2.231 1.528 86 HG2 ARG 10 1HG ARG 10 -14.950 2.655 1.758 87 HG3 ARG 10 2HG ARG 10 -14.775 4.017 0.634 88 HD2 ARG 10 1HD ARG 10 -15.517 2.127 -0.645 89 HD3 ARG 10 2HD ARG 10 -13.818 2.396 -1.059 90 HE ARG 10 HE ARG 10 -13.922 0.522 1.075 91 HH11 ARG 10 1HH1 ARG 10 -14.843 0.606 -2.347 92 HH12 ARG 10 2HH1 ARG 10 -14.604 -1.113 -2.531 93 HH21 ARG 10 1HH2 ARG 10 -13.631 -1.654 0.732 94 HH22 ARG 10 2HH2 ARG 10 -13.928 -2.369 -0.823 95 H TYR 11 H TYR 11 -10.300 3.461 2.914 96 HA TYR 11 HA TYR 11 -10.713 1.320 4.895 97 HB2 TYR 11 1HB TYR 11 -9.175 1.114 2.950 98 HB3 TYR 11 2HB TYR 11 -8.217 2.460 3.575 99 HD1 TYR 11 HD2 TYR 11 -9.517 -0.905 4.699 100 HD2 TYR 11 HD1 TYR 11 -6.306 1.957 4.805 101 HE1 TYR 11 HE2 TYR 11 -8.109 -2.515 5.979 102 HE2 TYR 11 HE1 TYR 11 -4.901 0.325 6.058 103 HH TYR 11 HH TYR 11 -4.756 -1.752 6.955 104 H VAL 12 H VAL 12 -9.257 4.579 4.621 105 HA VAL 12 HA VAL 12 -8.056 4.667 7.188 106 HB VAL 12 HB VAL 12 -9.317 6.998 5.677 107 HG11 VAL 12 1HG1 VAL 12 -8.635 7.364 8.144 108 HG12 VAL 12 2HG1 VAL 12 -6.971 7.154 7.588 109 HG13 VAL 12 3HG1 VAL 12 -7.959 8.473 6.937 110 HG21 VAL 12 3HG2 VAL 12 -7.123 7.398 4.721 111 HG22 VAL 12 1HG2 VAL 12 -6.441 6.025 5.625 112 HG23 VAL 12 2HG2 VAL 12 -7.611 5.746 4.339 113 H GLU 13 H GLU 13 -11.448 5.499 6.193 114 HA GLU 13 HA GLU 13 -12.257 6.519 8.711 115 HB2 GLU 13 1HB GLU 13 -13.635 5.259 6.381 116 HB3 GLU 13 2HB GLU 13 -14.532 5.340 7.897 117 HG2 GLU 13 1HG GLU 13 -13.289 7.714 6.470 118 HG3 GLU 13 2HG GLU 13 -15.003 7.266 6.431 119 H GLN 14 H GLN 14 -12.212 3.130 7.563 120 HA GLN 14 HA GLN 14 -13.449 2.141 9.959 121 HB2 GLN 14 1HB GLN 14 -13.520 0.268 8.757 122 HB3 GLN 14 2HB GLN 14 -12.728 1.145 7.459 123 HG2 GLN 14 1HG GLN 14 -11.596 -0.938 7.777 124 HG3 GLN 14 2HG GLN 14 -10.518 0.363 8.298 125 HE21 GLN 14 2HE2 GLN 14 -13.196 -1.462 9.800 126 HE22 GLN 14 1HE2 GLN 14 -12.277 -1.942 11.214 127 H LEU 15 H LEU 15 -10.065 2.663 8.923 128 HA LEU 15 HA LEU 15 -8.921 1.546 11.305 129 HB2 LEU 15 1HB LEU 15 -7.900 3.387 9.162 130 HB3 LEU 15 2HB LEU 15 -6.944 3.035 10.584 131 HG LEU 15 HG LEU 15 -7.782 1.063 8.453 132 HD11 LEU 15 1HD1 LEU 15 -5.272 1.009 8.178 133 HD12 LEU 15 2HD1 LEU 15 -5.160 2.341 9.341 134 HD13 LEU 15 3HD1 LEU 15 -6.008 2.576 7.791 135 HD21 LEU 15 3HD2 LEU 15 -6.203 0.600 11.023 136 HD22 LEU 15 1HD2 LEU 15 -6.295 -0.543 9.660 137 HD23 LEU 15 2HD2 LEU 15 -7.757 -0.146 10.574 138 H LYS 16 H LYS 16 -10.352 4.696 10.677 139 HA LYS 16 HA LYS 16 -9.003 6.160 12.743 140 HB2 LYS 16 1HB LYS 16 -11.783 6.448 11.564 141 HB3 LYS 16 2HB LYS 16 -11.177 7.521 12.821 142 HG2 LYS 16 1HG LYS 16 -9.404 8.350 11.377 143 HG3 LYS 16 2HG LYS 16 -9.780 7.145 10.159 144 HD2 LYS 16 1HD LYS 16 -12.123 8.229 10.016 145 HD3 LYS 16 2HD LYS 16 -11.406 9.589 10.897 146 HE2 LYS 16 1HE LYS 16 -9.647 9.771 9.102 147 HE3 LYS 16 2HE LYS 16 -10.411 8.425 8.253 148 HZ1 LYS 16 3HZ LYS 16 -12.440 9.882 8.121 149 HZ2 LYS 16 1HZ LYS 16 -11.158 10.321 7.173 150 HZ3 LYS 16 2HZ LYS 16 -11.480 11.144 8.574 151 H GLN 17 H GLN 17 -11.520 3.710 12.826 152 HA GLN 17 HA GLN 17 -11.844 4.096 15.733 153 HB2 GLN 17 1HB GLN 17 -12.869 1.911 13.890 154 HB3 GLN 17 2HB GLN 17 -13.244 2.077 15.612 155 HG2 GLN 17 1HG GLN 17 -14.181 4.370 15.084 156 HG3 GLN 17 2HG GLN 17 -14.007 3.972 13.366 157 HE21 GLN 17 2HE2 GLN 17 -15.872 3.357 12.495 158 HE22 GLN 17 1HE2 GLN 17 -17.107 2.419 13.304 159 H ALA 18 H ALA 18 -10.407 1.592 13.535 160 HA ALA 18 HA ALA 18 -9.619 -0.147 15.591 161 HB1 ALA 18 3HB ALA 18 -8.214 0.291 12.933 162 HB2 ALA 18 1HB ALA 18 -8.089 -1.149 13.969 163 HB3 ALA 18 2HB ALA 18 -9.641 -0.738 13.193 164 H LEU 19 H LEU 19 -7.689 2.600 14.258 165 HA LEU 19 HA LEU 19 -5.271 1.975 15.646 166 HB2 LEU 19 1HB LEU 19 -6.468 4.411 14.410 167 HB3 LEU 19 2HB LEU 19 -5.322 4.714 15.702 168 HG LEU 19 HG LEU 19 -3.796 3.044 14.294 169 HD11 LEU 19 1HD1 LEU 19 -5.274 2.550 12.461 170 HD12 LEU 19 2HD1 LEU 19 -4.023 3.659 11.830 171 HD13 LEU 19 3HD1 LEU 19 -5.651 4.267 12.221 172 HD21 LEU 19 3HD2 LEU 19 -4.202 5.981 13.614 173 HD22 LEU 19 1HD2 LEU 19 -2.747 5.017 13.255 174 HD23 LEU 19 2HD2 LEU 19 -3.206 5.339 14.942 175 H LYS 20 H LYS 20 -8.224 3.668 16.695 176 HA LYS 20 HA LYS 20 -7.086 4.506 19.235 177 HB2 LYS 20 1HB LYS 20 -9.983 4.200 18.346 178 HB3 LYS 20 2HB LYS 20 -9.461 4.994 19.830 179 HG2 LYS 20 1HG LYS 20 -8.354 6.748 18.554 180 HG3 LYS 20 2HG LYS 20 -8.737 5.914 17.032 181 HD2 LYS 20 1HD LYS 20 -11.159 6.086 17.574 182 HD3 LYS 20 2HD LYS 20 -10.753 7.021 19.028 183 HE2 LYS 20 1HE LYS 20 -9.758 8.784 17.651 184 HE3 LYS 20 2HE LYS 20 -10.015 7.813 16.182 185 HZ1 LYS 20 3HZ LYS 20 -11.762 9.466 16.473 186 HZ2 LYS 20 1HZ LYS 20 -12.176 8.834 17.940 187 HZ3 LYS 20 2HZ LYS 20 -12.392 7.944 16.567 188 H THR 21 H THR 21 -8.941 1.633 18.172 189 HA THR 21 HA THR 21 -9.618 0.844 20.842 190 HB THR 21 HB THR 21 -10.037 -1.428 19.911 191 HG1 THR 21 HG1 THR 21 -8.613 -0.327 17.762 192 HG21 THR 21 1HG2 THR 21 -11.877 -0.819 18.500 193 HG22 THR 21 2HG2 THR 21 -11.138 0.739 18.098 194 HG23 THR 21 3HG2 THR 21 -11.721 0.431 19.747 195 H ARG 22 H ARG 22 -6.581 0.528 19.098 196 HA ARG 22 HA ARG 22 -5.641 -1.578 20.883 197 HB2 ARG 22 1HB ARG 22 -4.776 -1.182 18.544 198 HB3 ARG 22 2HB ARG 22 -4.015 0.303 19.123 199 HG2 ARG 22 1HG ARG 22 -2.350 -1.471 19.025 200 HG3 ARG 22 2HG ARG 22 -2.654 -1.050 20.708 201 HD2 ARG 22 1HD ARG 22 -4.303 -3.015 20.765 202 HD3 ARG 22 2HD ARG 22 -3.587 -3.504 19.223 203 HE ARG 22 HE ARG 22 -1.629 -4.144 20.335 204 HH11 ARG 22 1HH1 ARG 22 -3.653 -2.348 22.648 205 HH12 ARG 22 2HH1 ARG 22 -2.716 -2.913 24.002 206 HH21 ARG 22 1HH2 ARG 22 -0.534 -4.803 22.088 207 HH22 ARG 22 2HH2 ARG 22 -0.964 -4.246 23.695 208 H GLY 23 H GLY 23 -6.063 1.834 21.045 209 HA2 GLY 23 1HA GLY 23 -5.870 3.168 22.920 210 HA3 GLY 23 2HA GLY 23 -5.057 1.851 23.777 211 H VAL 24 H VAL 24 -3.426 2.090 20.957 212 HA VAL 24 HA VAL 24 -1.272 3.590 22.317 213 HB VAL 24 HB VAL 24 -1.150 1.953 19.740 214 HG11 VAL 24 1HG1 VAL 24 1.277 1.987 20.098 215 HG12 VAL 24 2HG1 VAL 24 0.679 3.656 20.054 216 HG13 VAL 24 3HG1 VAL 24 1.077 2.900 21.613 217 HG21 VAL 24 3HG2 VAL 24 -0.163 0.167 21.116 218 HG22 VAL 24 1HG2 VAL 24 -0.377 1.151 22.584 219 HG23 VAL 24 2HG2 VAL 24 -1.793 0.553 21.696 220 H LYS 25 H LYS 25 -0.864 5.622 21.819 221 HA LYS 25 HA LYS 25 -2.490 6.881 19.731 222 HB2 LYS 25 1HB LYS 25 -0.507 8.022 21.738 223 HB3 LYS 25 2HB LYS 25 -1.594 8.978 20.714 224 HG2 LYS 25 1HG LYS 25 -3.551 7.997 21.820 225 HG3 LYS 25 2HG LYS 25 -2.512 6.920 22.765 226 HD2 LYS 25 1HD LYS 25 -1.470 8.879 23.857 227 HD3 LYS 25 2HD LYS 25 -2.558 9.948 22.948 228 HE2 LYS 25 1HE LYS 25 -3.464 9.583 25.190 229 HE3 LYS 25 2HE LYS 25 -4.518 8.813 23.989 230 HZ1 LYS 25 3HZ LYS 25 -3.485 6.677 24.540 231 HZ2 LYS 25 1HZ LYS 25 -4.140 7.362 25.890 232 HZ3 LYS 25 2HZ LYS 25 -2.508 7.395 25.660 233 H VAL 26 H VAL 26 -1.541 5.934 17.875 234 HA VAL 26 HA VAL 26 1.214 6.893 17.215 235 HB VAL 26 HB VAL 26 -0.492 4.855 15.684 236 HG11 VAL 26 1HG1 VAL 26 1.728 4.169 14.750 237 HG12 VAL 26 2HG1 VAL 26 1.318 5.838 14.346 238 HG13 VAL 26 3HG1 VAL 26 2.497 5.501 15.633 239 HG21 VAL 26 3HG2 VAL 26 -0.126 3.905 17.870 240 HG22 VAL 26 1HG2 VAL 26 0.986 3.119 16.737 241 HG23 VAL 26 2HG2 VAL 26 1.595 4.372 17.843 242 H LYS 27 H LYS 27 1.494 8.291 15.460 243 HA LYS 27 HA LYS 27 -0.850 9.740 14.525 244 HB2 LYS 27 1HB LYS 27 1.445 10.756 14.669 245 HB3 LYS 27 2HB LYS 27 1.987 9.647 13.410 246 HG2 LYS 27 1HG LYS 27 1.612 11.769 12.375 247 HG3 LYS 27 2HG LYS 27 0.310 10.698 11.839 248 HD2 LYS 27 1HD LYS 27 -1.212 11.720 13.526 249 HD3 LYS 27 2HD LYS 27 0.110 12.781 14.059 250 HE2 LYS 27 1HE LYS 27 0.236 13.747 11.767 251 HE3 LYS 27 2HE LYS 27 -1.118 12.715 11.267 252 HZ1 LYS 27 3HZ LYS 27 -1.866 14.940 11.851 253 HZ2 LYS 27 1HZ LYS 27 -1.243 14.808 13.372 254 HZ3 LYS 27 2HZ LYS 27 -2.505 13.850 12.910 255 H PHE 28 H PHE 28 -2.087 9.265 12.760 256 HA PHE 28 HA PHE 28 -2.234 6.712 11.700 257 HB2 PHE 28 1HB PHE 28 -3.508 9.208 11.403 258 HB3 PHE 28 2HB PHE 28 -2.969 8.832 9.767 259 HD1 PHE 28 HD2 PHE 28 -3.627 6.531 8.785 260 HD2 PHE 28 HD1 PHE 28 -5.435 8.276 12.273 261 HE1 PHE 28 HE2 PHE 28 -5.631 5.090 8.470 262 HE2 PHE 28 HE1 PHE 28 -7.423 6.869 11.952 263 HZ PHE 28 HZ PHE 28 -7.549 5.292 10.051 264 H ALA 29 H ALA 29 -0.661 9.505 10.083 265 HA ALA 29 HA ALA 29 0.077 8.057 7.758 266 HB1 ALA 29 3HB ALA 29 1.624 9.937 7.350 267 HB2 ALA 29 1HB ALA 29 0.031 10.530 7.876 268 HB3 ALA 29 2HB ALA 29 1.400 10.505 9.021 269 H ASP 30 H ASP 30 1.543 8.283 10.960 270 HA ASP 30 HA ASP 30 4.075 7.154 10.058 271 HB2 ASP 30 1HB ASP 30 3.667 8.764 12.048 272 HB3 ASP 30 2HB ASP 30 3.176 7.307 12.929 273 H LEU 31 H LEU 31 1.002 5.921 11.426 274 HA LEU 31 HA LEU 31 2.140 3.340 12.000 275 HB2 LEU 31 1HB LEU 31 -0.006 3.951 12.998 276 HB3 LEU 31 2HB LEU 31 -0.739 4.048 11.393 277 HG LEU 31 HG LEU 31 -0.407 1.665 11.024 278 HD11 LEU 31 1HD1 LEU 31 0.391 0.189 12.900 279 HD12 LEU 31 2HD1 LEU 31 0.981 1.649 13.724 280 HD13 LEU 31 3HD1 LEU 31 1.654 1.168 12.142 281 HD21 LEU 31 3HD2 LEU 31 -1.853 0.752 12.789 282 HD22 LEU 31 1HD2 LEU 31 -2.417 2.299 12.148 283 HD23 LEU 31 2HD2 LEU 31 -1.610 2.245 13.732 284 H LEU 32 H LEU 32 0.125 4.579 9.332 285 HA LEU 32 HA LEU 32 0.465 2.260 7.702 286 HB2 LEU 32 1HB LEU 32 -0.311 5.105 7.127 287 HB3 LEU 32 2HB LEU 32 -0.024 3.983 5.814 288 HG LEU 32 HG LEU 32 -2.369 4.089 6.207 289 HD11 LEU 32 1HD1 LEU 32 -1.376 1.830 5.702 290 HD12 LEU 32 2HD1 LEU 32 -2.962 1.802 6.499 291 HD13 LEU 32 3HD1 LEU 32 -1.496 1.461 7.439 292 HD21 LEU 32 3HD2 LEU 32 -1.880 3.197 9.055 293 HD22 LEU 32 1HD2 LEU 32 -3.436 3.592 8.275 294 HD23 LEU 32 2HD2 LEU 32 -2.235 4.862 8.538 295 H LYS 33 H LYS 33 2.693 4.844 8.300 296 HA LYS 33 HA LYS 33 4.387 4.681 6.022 297 HB2 LYS 33 1HB LYS 33 4.655 6.193 8.024 298 HB3 LYS 33 2HB LYS 33 5.190 4.796 8.941 299 HG2 LYS 33 1HG LYS 33 7.096 4.561 7.332 300 HG3 LYS 33 2HG LYS 33 6.615 6.154 6.684 301 HD2 LYS 33 1HD LYS 33 6.666 6.993 9.085 302 HD3 LYS 33 2HD LYS 33 7.384 5.442 9.540 303 HE2 LYS 33 1HE LYS 33 9.211 6.876 9.306 304 HE3 LYS 33 2HE LYS 33 9.182 5.981 7.764 305 HZ1 LYS 33 3HZ LYS 33 8.005 8.661 8.241 306 HZ2 LYS 33 1HZ LYS 33 7.974 7.853 6.803 307 HZ3 LYS 33 2HZ LYS 33 9.412 8.375 7.428 308 H PHE 34 H PHE 34 4.076 2.548 8.865 309 HA PHE 34 HA PHE 34 6.288 0.868 7.948 310 HB2 PHE 34 1HB PHE 34 4.421 0.835 10.302 311 HB3 PHE 34 2HB PHE 34 5.487 -0.525 9.961 312 HD1 PHE 34 HD2 PHE 34 5.398 3.087 10.784 313 HD2 PHE 34 HD1 PHE 34 7.880 -0.384 10.331 314 HE1 PHE 34 HE2 PHE 34 7.280 4.334 11.801 315 HE2 PHE 34 HE1 PHE 34 9.792 0.856 11.344 316 HZ PHE 34 HZ PHE 34 9.495 3.229 12.065 317 H PHE 35 H PHE 35 2.808 0.911 7.571 318 HA PHE 35 HA PHE 35 2.547 -1.839 6.657 319 HB2 PHE 35 1HB PHE 35 0.935 0.689 6.195 320 HB3 PHE 35 2HB PHE 35 0.567 -0.808 5.351 321 HD1 PHE 35 HD2 PHE 35 1.417 -0.017 8.975 322 HD2 PHE 35 HD1 PHE 35 -1.320 -1.804 6.173 323 HE1 PHE 35 HE2 PHE 35 -0.003 -0.789 10.854 324 HE2 PHE 35 HE1 PHE 35 -2.756 -2.554 8.061 325 HZ PHE 35 HZ PHE 35 -2.097 -2.056 10.404 326 H ASP 36 H ASP 36 3.841 1.133 5.324 327 HA ASP 36 HA ASP 36 3.712 0.260 2.542 328 HB2 ASP 36 1HB ASP 36 3.859 2.663 3.541 329 HB3 ASP 36 2HB ASP 36 5.591 2.337 3.684 330 H PHE 37 H PHE 37 6.036 0.227 5.191 331 HA PHE 37 HA PHE 37 8.309 -0.538 3.677 332 HB2 PHE 37 1HB PHE 37 8.259 0.469 5.969 333 HB3 PHE 37 2HB PHE 37 7.735 -1.093 6.607 334 HD1 PHE 37 HD1 PHE 37 10.443 0.304 4.381 335 HD2 PHE 37 HD2 PHE 37 9.382 -2.495 7.473 336 HE1 PHE 37 HE1 PHE 37 12.821 -0.402 4.550 337 HE2 PHE 37 HE2 PHE 37 11.761 -3.208 7.649 338 HZ PHE 37 HZ PHE 37 13.483 -2.153 6.186 339 H VAL 38 H VAL 38 5.761 -2.562 5.188 340 HA VAL 38 HA VAL 38 7.275 -4.987 4.909 341 HB VAL 38 HB VAL 38 5.561 -5.598 6.229 342 HG11 VAL 38 1HG1 VAL 38 3.332 -4.603 6.265 343 HG12 VAL 38 2HG1 VAL 38 4.626 -3.424 6.441 344 HG13 VAL 38 3HG1 VAL 38 3.782 -3.598 4.881 345 HG21 VAL 38 3HG2 VAL 38 5.171 -7.025 4.205 346 HG22 VAL 38 1HG2 VAL 38 3.705 -6.767 5.163 347 HG23 VAL 38 2HG2 VAL 38 3.937 -5.860 3.656 348 H LYS 39 H LYS 39 5.133 -3.235 2.642 349 HA LYS 39 HA LYS 39 5.167 -5.344 0.674 350 HB2 LYS 39 1HB LYS 39 3.610 -3.327 0.820 351 HB3 LYS 39 2HB LYS 39 4.899 -2.370 0.097 352 HG2 LYS 39 1HG LYS 39 4.004 -4.908 -1.271 353 HG3 LYS 39 2HG LYS 39 2.965 -3.481 -1.367 354 HD2 LYS 39 1HD LYS 39 5.759 -2.818 -1.945 355 HD3 LYS 39 2HD LYS 39 5.149 -4.081 -3.027 356 HE2 LYS 39 1HE LYS 39 3.674 -1.473 -2.499 357 HE3 LYS 39 2HE LYS 39 4.839 -1.692 -3.819 358 HZ1 LYS 39 3HZ LYS 39 3.442 -3.477 -4.676 359 HZ2 LYS 39 1HZ LYS 39 2.595 -2.064 -4.583 360 HZ3 LYS 39 2HZ LYS 39 2.338 -3.238 -3.472 361 H ASP 40 H ASP 40 7.283 -2.595 1.372 362 HA ASP 40 HA ASP 40 8.910 -2.718 -0.960 363 HB2 ASP 40 1HB ASP 40 8.778 -0.906 0.840 364 HB3 ASP 40 2HB ASP 40 9.811 -1.938 1.838 365 H THR 41 H THR 41 9.362 -4.228 2.288 366 HA THR 41 HA THR 41 11.743 -5.651 1.412 367 HB THR 41 HB THR 41 10.071 -6.326 3.865 368 HG1 THR 41 HG1 THR 41 11.647 -4.062 3.289 369 HG21 THR 41 1HG2 THR 41 13.063 -6.313 3.291 370 HG22 THR 41 2HG2 THR 41 12.034 -7.752 3.450 371 HG23 THR 41 3HG2 THR 41 12.319 -6.707 4.854 372 H CYS 42 H CYS 42 8.299 -6.419 1.506 373 HA CYS 42 HA CYS 42 8.936 -9.252 0.746 374 HB2 CYS 42 1HB CYS 42 6.446 -8.156 2.088 375 HB3 CYS 42 2HB CYS 42 6.778 -9.848 1.712 376 HG CYS 42 HG CYS 42 8.436 -7.824 3.697 377 HA PRO 43 HA PRO 43 6.784 -7.298 -2.829 378 HB2 PRO 43 1HB PRO 43 8.051 -8.672 -4.826 379 HB3 PRO 43 2HB PRO 43 8.783 -7.241 -4.028 380 HG2 PRO 43 1HG PRO 43 9.228 -10.163 -3.436 381 HG3 PRO 43 2HG PRO 43 10.442 -8.878 -3.740 382 HD2 PRO 43 1HD PRO 43 9.771 -9.621 -1.232 383 HD3 PRO 43 2HD PRO 43 10.096 -7.894 -1.635 384 H TRP 44 H TRP 44 7.234 -10.571 -1.753 385 HA TRP 44 HA TRP 44 5.189 -11.697 -3.516 386 HB2 TRP 44 1HB TRP 44 5.499 -13.642 -1.793 387 HB3 TRP 44 2HB TRP 44 6.771 -13.277 -2.963 388 HD1 TRP 44 HD1 TRP 44 6.048 -11.943 0.656 389 HE1 TRP 44 HE1 TRP 44 8.214 -11.921 1.998 390 HE3 TRP 44 HE3 TRP 44 9.152 -13.732 -2.998 391 HZ2 TRP 44 HZ2 TRP 44 10.935 -12.629 1.563 392 HZ3 TRP 44 HZ3 TRP 44 11.579 -14.033 -2.461 393 HH2 TRP 44 HH2 TRP 44 12.449 -13.484 -0.189 394 H PHE 45 H PHE 45 5.099 -9.846 -0.598 395 HA PHE 45 HA PHE 45 2.925 -11.245 0.651 396 HB2 PHE 45 1HB PHE 45 4.467 -9.612 1.754 397 HB3 PHE 45 2HB PHE 45 3.593 -8.305 0.955 398 HD1 PHE 45 HD2 PHE 45 3.294 -11.113 3.389 399 HD2 PHE 45 HD1 PHE 45 1.467 -7.553 1.806 400 HE1 PHE 45 HE2 PHE 45 1.655 -11.129 5.262 401 HE2 PHE 45 HE1 PHE 45 -0.175 -7.563 3.677 402 HZ PHE 45 HZ PHE 45 -0.085 -9.350 5.412 403 HA PRO 46 HA PRO 46 -0.093 -8.391 -1.449 404 HB2 PRO 46 1HB PRO 46 0.472 -7.080 -3.767 405 HB3 PRO 46 2HB PRO 46 0.769 -6.345 -2.158 406 HG2 PRO 46 1HG PRO 46 2.698 -7.808 -3.940 407 HG3 PRO 46 2HG PRO 46 2.866 -6.189 -3.187 408 HD2 PRO 46 1HD PRO 46 3.961 -8.360 -2.058 409 HD3 PRO 46 2HD PRO 46 3.194 -7.092 -1.049 410 H GLN 47 H GLN 47 2.265 -10.245 -3.293 411 HA GLN 47 HA GLN 47 0.469 -11.077 -5.390 412 HB2 GLN 47 1HB GLN 47 2.921 -12.446 -4.220 413 HB3 GLN 47 2HB GLN 47 2.100 -12.947 -5.694 414 HG2 GLN 47 1HG GLN 47 3.243 -10.147 -5.416 415 HG3 GLN 47 2HG GLN 47 4.255 -11.516 -5.881 416 HE21 GLN 47 2HE2 GLN 47 4.666 -10.499 -7.889 417 HE22 GLN 47 1HE2 GLN 47 3.463 -10.565 -9.165 418 H GLU 48 H GLU 48 1.314 -12.348 -2.141 419 HA GLU 48 HA GLU 48 -0.367 -14.686 -2.310 420 HB2 GLU 48 1HB GLU 48 0.463 -13.021 0.109 421 HB3 GLU 48 2HB GLU 48 -0.334 -14.592 0.194 422 HG2 GLU 48 1HG GLU 48 2.003 -14.831 -1.470 423 HG3 GLU 48 2HG GLU 48 2.449 -14.016 0.039 424 H GLY 49 H GLY 49 -0.834 -11.310 -1.251 425 HA2 GLY 49 1HA GLY 49 -2.754 -10.057 -1.058 426 HA3 GLY 49 2HA GLY 49 -3.485 -11.179 -2.194 427 H THR 50 H THR 50 -2.227 -12.094 0.945 428 HA THR 50 HA THR 50 -5.014 -12.647 1.883 429 HB THR 50 HB THR 50 -2.532 -14.416 2.140 430 HG1 THR 50 HG1 THR 50 -3.804 -14.281 0.059 431 HG21 THR 50 1HG2 THR 50 -5.337 -14.643 3.254 432 HG22 THR 50 2HG2 THR 50 -3.763 -14.871 4.074 433 HG23 THR 50 3HG2 THR 50 -4.351 -16.084 2.925 434 H ILE 51 H ILE 51 -5.410 -11.972 3.920 435 HA ILE 51 HA ILE 51 -3.023 -11.105 5.517 436 HB ILE 51 HB ILE 51 -5.871 -10.137 5.763 437 HG12 ILE 51 1HG1 ILE 51 -4.891 -9.295 3.722 438 HG13 ILE 51 2HG1 ILE 51 -5.057 -8.066 4.933 439 HG21 ILE 51 1HG2 ILE 51 -3.288 -9.305 7.207 440 HG22 ILE 51 2HG2 ILE 51 -4.829 -8.420 7.305 441 HG23 ILE 51 3HG2 ILE 51 -4.715 -10.071 7.939 442 HD11 ILE 51 3HD1 ILE 51 -2.665 -8.077 5.372 443 HD12 ILE 51 1HD1 ILE 51 -2.467 -9.363 4.151 444 HD13 ILE 51 2HD1 ILE 51 -3.043 -7.756 3.670 445 H ASP 52 H ASP 52 -2.520 -12.734 6.528 446 HA ASP 52 HA ASP 52 -4.291 -13.804 8.625 447 HB2 ASP 52 1HB ASP 52 -4.834 -15.483 7.065 448 HB3 ASP 52 2HB ASP 52 -3.213 -15.485 6.363 449 H ILE 53 H ILE 53 -2.989 -14.991 10.208 450 HA ILE 53 HA ILE 53 -0.689 -13.388 10.645 451 HB ILE 53 HB ILE 53 -2.325 -14.329 12.316 452 HG12 ILE 53 1HG1 ILE 53 -0.485 -14.640 14.046 453 HG13 ILE 53 2HG1 ILE 53 0.664 -14.504 12.732 454 HG21 ILE 53 1HG2 ILE 53 -2.196 -16.723 11.606 455 HG22 ILE 53 2HG2 ILE 53 -0.520 -16.784 12.223 456 HG23 ILE 53 3HG2 ILE 53 -1.874 -16.489 13.339 457 HD11 ILE 53 3HD1 ILE 53 0.440 -12.418 13.930 458 HD12 ILE 53 1HD1 ILE 53 -0.138 -12.227 12.265 459 HD13 ILE 53 2HD1 ILE 53 -1.295 -12.396 13.604 460 H LYS 54 H LYS 54 -1.008 -16.657 9.288 461 HA LYS 54 HA LYS 54 1.797 -17.326 9.763 462 HB2 LYS 54 1HB LYS 54 -0.121 -18.272 7.578 463 HB3 LYS 54 2HB LYS 54 1.463 -18.972 7.891 464 HG2 LYS 54 1HG LYS 54 -0.792 -18.935 9.929 465 HG3 LYS 54 2HG LYS 54 -0.485 -20.261 8.797 466 HD2 LYS 54 1HD LYS 54 1.834 -20.478 9.735 467 HD3 LYS 54 2HD LYS 54 1.422 -19.243 10.942 468 HE2 LYS 54 1HE LYS 54 1.155 -21.450 11.930 469 HE3 LYS 54 2HE LYS 54 -0.439 -20.685 11.755 470 HZ1 LYS 54 3HZ LYS 54 0.698 -22.713 9.907 471 HZ2 LYS 54 1HZ LYS 54 -0.784 -22.005 9.752 472 HZ3 LYS 54 2HZ LYS 54 -0.474 -22.995 11.034 473 H ARG 55 H ARG 55 -0.024 -15.602 7.268 474 HA ARG 55 HA ARG 55 2.143 -15.305 5.385 475 HB2 ARG 55 1HB ARG 55 -0.023 -13.233 5.857 476 HB3 ARG 55 2HB ARG 55 0.801 -13.609 4.351 477 HG2 ARG 55 1HG ARG 55 -1.127 -15.528 5.729 478 HG3 ARG 55 2HG ARG 55 -1.627 -14.329 4.542 479 HD2 ARG 55 1HD ARG 55 -0.134 -15.343 2.874 480 HD3 ARG 55 2HD ARG 55 0.326 -16.564 4.062 481 HE ARG 55 HE ARG 55 -2.442 -16.674 3.927 482 HH11 ARG 55 1HH1 ARG 55 0.223 -17.198 1.658 483 HH12 ARG 55 2HH1 ARG 55 -0.704 -18.328 0.706 484 HH21 ARG 55 1HH2 ARG 55 -3.551 -18.126 2.655 485 HH22 ARG 55 2HH2 ARG 55 -2.792 -18.841 1.261 486 H TRP 56 H TRP 56 0.913 -13.438 8.155 487 HA TRP 56 HA TRP 56 2.788 -11.306 7.940 488 HB2 TRP 56 1HB TRP 56 0.581 -11.406 9.206 489 HB3 TRP 56 2HB TRP 56 1.461 -12.240 10.494 490 HD1 TRP 56 HD1 TRP 56 2.298 -10.616 12.304 491 HE1 TRP 56 HE1 TRP 56 3.008 -8.176 12.486 492 HE3 TRP 56 HE3 TRP 56 1.673 -9.349 7.391 493 HZ2 TRP 56 HZ2 TRP 56 3.347 -5.979 10.705 494 HZ3 TRP 56 HZ3 TRP 56 2.215 -7.019 6.681 495 HH2 TRP 56 HH2 TRP 56 3.058 -5.354 8.337 496 H ARG 57 H ARG 57 3.083 -14.488 9.518 497 HA ARG 57 HA ARG 57 5.342 -13.882 11.170 498 HB2 ARG 57 1HB ARG 57 5.026 -16.488 9.634 499 HB3 ARG 57 2HB ARG 57 5.963 -16.212 11.094 500 HG2 ARG 57 1HG ARG 57 2.980 -16.395 10.832 501 HG3 ARG 57 2HG ARG 57 4.042 -17.480 11.690 502 HD2 ARG 57 1HD ARG 57 4.545 -15.529 13.174 503 HD3 ARG 57 2HD ARG 57 3.205 -14.673 12.421 504 HE ARG 57 HE ARG 57 2.435 -17.288 13.379 505 HH11 ARG 57 1HH1 ARG 57 2.931 -13.977 14.511 506 HH12 ARG 57 2HH1 ARG 57 1.728 -14.147 15.778 507 HH21 ARG 57 1HH2 ARG 57 0.967 -17.411 15.071 508 HH22 ARG 57 2HH2 ARG 57 0.661 -16.015 16.074 509 H ARG 58 H ARG 58 5.100 -14.769 7.748 510 HA ARG 58 HA ARG 58 7.890 -15.002 7.202 511 HB2 ARG 58 1HB ARG 58 5.635 -14.109 5.375 512 HB3 ARG 58 2HB ARG 58 7.251 -14.571 4.847 513 HG2 ARG 58 1HG ARG 58 6.906 -16.852 5.621 514 HG3 ARG 58 2HG ARG 58 5.326 -16.415 6.302 515 HD2 ARG 58 1HD ARG 58 4.984 -17.487 4.161 516 HD3 ARG 58 2HD ARG 58 4.543 -15.774 4.030 517 HE ARG 58 HE ARG 58 7.283 -16.150 3.278 518 HH11 ARG 58 1HH1 ARG 58 4.011 -16.664 1.991 519 HH12 ARG 58 2HH1 ARG 58 4.571 -16.616 0.346 520 HH21 ARG 58 1HH2 ARG 58 7.889 -16.064 1.144 521 HH22 ARG 58 2HH2 ARG 58 6.710 -16.267 -0.122 522 H VAL 59 H VAL 59 5.804 -12.163 7.436 523 HA VAL 59 HA VAL 59 7.574 -10.365 6.054 524 HB VAL 59 HB VAL 59 5.481 -9.796 8.203 525 HG11 VAL 59 1HG1 VAL 59 7.009 -7.917 7.907 526 HG12 VAL 59 2HG1 VAL 59 6.742 -7.957 6.151 527 HG13 VAL 59 3HG1 VAL 59 5.406 -7.544 7.256 528 HG21 VAL 59 3HG2 VAL 59 4.034 -9.249 6.255 529 HG22 VAL 59 1HG2 VAL 59 5.300 -9.885 5.181 530 HG23 VAL 59 2HG2 VAL 59 4.486 -10.958 6.344 531 H GLY 60 H GLY 60 7.173 -11.345 9.454 532 HA2 GLY 60 1HA GLY 60 9.037 -9.405 10.466 533 HA3 GLY 60 2HA GLY 60 8.455 -10.864 11.292 534 H ASP 61 H ASP 61 9.267 -12.734 9.306 535 HA ASP 61 HA ASP 61 12.005 -13.176 10.027 536 HB2 ASP 61 1HB ASP 61 10.180 -14.849 9.319 537 HB3 ASP 61 2HB ASP 61 10.516 -14.358 7.652 538 H CYS 62 H CYS 62 10.375 -11.818 7.162 539 HA CYS 62 HA CYS 62 12.699 -11.490 5.542 540 HB2 CYS 62 1HB CYS 62 9.985 -11.009 5.289 541 HB3 CYS 62 2HB CYS 62 10.656 -9.375 5.323 542 HG CYS 62 HG CYS 62 10.509 -9.663 2.906 543 H PHE 63 H PHE 63 11.140 -9.300 7.955 544 HA PHE 63 HA PHE 63 12.977 -7.130 7.498 545 HB2 PHE 63 1HB PHE 63 11.482 -7.907 10.026 546 HB3 PHE 63 2HB PHE 63 12.361 -6.399 9.806 547 HD1 PHE 63 HD1 PHE 63 11.423 -6.014 6.790 548 HD2 PHE 63 HD2 PHE 63 9.382 -6.818 10.499 549 HE1 PHE 63 HE1 PHE 63 9.394 -4.889 5.910 550 HE2 PHE 63 HE2 PHE 63 7.351 -5.674 9.626 551 HZ PHE 63 HZ PHE 63 7.358 -4.700 7.336 552 H GLN 64 H GLN 64 13.114 -10.057 9.493 553 HA GLN 64 HA GLN 64 15.334 -9.246 11.106 554 HB2 GLN 64 1HB GLN 64 13.787 -11.156 11.560 555 HB3 GLN 64 2HB GLN 64 14.506 -12.029 10.209 556 HG2 GLN 64 1HG GLN 64 16.662 -12.086 11.348 557 HG3 GLN 64 2HG GLN 64 15.989 -11.143 12.689 558 HE21 GLN 64 2HE2 GLN 64 14.983 -14.039 10.791 559 HE22 GLN 64 1HE2 GLN 64 14.614 -15.002 12.195 560 H ASP 65 H ASP 65 15.128 -11.046 8.001 561 HA ASP 65 HA ASP 65 17.979 -11.392 7.773 562 HB2 ASP 65 1HB ASP 65 16.148 -12.663 6.582 563 HB3 ASP 65 2HB ASP 65 15.934 -11.258 5.535 564 H TYR 66 H TYR 66 15.673 -9.014 6.439 565 HA TYR 66 HA TYR 66 17.581 -7.564 4.906 566 HB2 TYR 66 1HB TYR 66 14.990 -7.536 4.939 567 HB3 TYR 66 2HB TYR 66 15.147 -6.324 6.208 568 HD1 TYR 66 HD2 TYR 66 17.013 -6.922 2.962 569 HD2 TYR 66 HD1 TYR 66 14.564 -4.231 5.263 570 HE1 TYR 66 HE2 TYR 66 17.194 -5.211 1.167 571 HE2 TYR 66 HE1 TYR 66 14.765 -2.515 3.462 572 HH TYR 66 HH TYR 66 16.335 -3.235 0.361 573 H PHE 67 H PHE 67 16.711 -7.467 8.336 574 HA PHE 67 HA PHE 67 18.190 -5.031 8.923 575 HB2 PHE 67 1HB PHE 67 16.477 -5.969 10.447 576 HB3 PHE 67 2HB PHE 67 17.489 -7.390 10.715 577 HD1 PHE 67 HD2 PHE 67 19.690 -7.153 11.938 578 HD2 PHE 67 HD1 PHE 67 16.856 -3.929 11.643 579 HE1 PHE 67 HE2 PHE 67 20.820 -5.989 13.823 580 HE2 PHE 67 HE1 PHE 67 17.964 -2.769 13.532 581 HZ PHE 67 HZ PHE 67 19.952 -3.796 14.637 582 H ASN 68 H ASN 68 18.975 -8.544 9.046 583 HA ASN 68 HA ASN 68 21.621 -8.136 10.095 584 HB2 ASN 68 1HB ASN 68 20.288 -10.424 8.620 585 HB3 ASN 68 2HB ASN 68 21.985 -10.485 9.116 586 HD21 ASN 68 2HD2 ASN 68 19.403 -11.891 9.959 587 HD22 ASN 68 1HD2 ASN 68 19.475 -11.803 11.703 588 H THR 69 H THR 69 20.331 -7.880 6.866 589 HA THR 69 HA THR 69 22.662 -8.383 5.355 590 HB THR 69 HB THR 69 20.535 -6.249 4.784 591 HG1 THR 69 HG1 THR 69 19.952 -8.648 5.197 592 HG21 THR 69 1HG2 THR 69 22.342 -7.863 2.940 593 HG22 THR 69 2HG2 THR 69 22.453 -6.115 3.251 594 HG23 THR 69 3HG2 THR 69 21.035 -6.781 2.413 595 H PHE 70 H PHE 70 21.612 -5.339 6.951 596 HA PHE 70 HA PHE 70 24.350 -4.261 6.389 597 HB2 PHE 70 1HB PHE 70 21.828 -3.320 5.512 598 HB3 PHE 70 2HB PHE 70 22.476 -2.134 6.651 599 HD1 PHE 70 HD1 PHE 70 22.988 -3.845 3.417 600 HD2 PHE 70 HD2 PHE 70 24.503 -0.877 6.141 601 HE1 PHE 70 HE1 PHE 70 24.468 -2.962 1.620 602 HE2 PHE 70 HE2 PHE 70 25.981 0.020 4.355 603 HZ PHE 70 HZ PHE 70 25.969 -1.021 2.083 604 H GLY 71 H GLY 71 21.872 -4.657 8.817 605 HA2 GLY 71 1HA GLY 71 22.405 -4.249 11.143 606 HA3 GLY 71 2HA GLY 71 23.448 -2.904 10.649 607 HA PRO 72 HA PRO 72 19.184 -1.495 11.885 608 HB2 PRO 72 1HB PRO 72 19.876 0.522 13.595 609 HB3 PRO 72 2HB PRO 72 19.854 -1.204 14.080 610 HG2 PRO 72 1HG PRO 72 22.185 0.448 13.134 611 HG3 PRO 72 2HG PRO 72 22.036 -0.542 14.624 612 HD2 PRO 72 1HD PRO 72 23.237 -1.533 12.439 613 HD3 PRO 72 2HD PRO 72 22.142 -2.569 13.423 614 H GLU 73 H GLU 73 21.724 0.099 10.177 615 HA GLU 73 HA GLU 73 20.283 2.598 9.822 616 HB2 GLU 73 1HB GLU 73 21.902 3.101 8.104 617 HB3 GLU 73 2HB GLU 73 22.718 2.504 9.550 618 HG2 GLU 73 1HG GLU 73 23.151 0.369 8.521 619 HG3 GLU 73 2HG GLU 73 22.123 0.768 7.133 620 H LYS 74 H LYS 74 20.204 -0.570 8.345 621 HA LYS 74 HA LYS 74 18.772 0.429 5.982 622 HB2 LYS 74 1HB LYS 74 20.067 -2.016 6.816 623 HB3 LYS 74 2HB LYS 74 18.440 -2.372 6.223 624 HG2 LYS 74 1HG LYS 74 20.553 -0.814 4.689 625 HG3 LYS 74 2HG LYS 74 20.159 -2.524 4.450 626 HD2 LYS 74 1HD LYS 74 17.824 -1.874 3.858 627 HD3 LYS 74 2HD LYS 74 18.315 -0.167 3.955 628 HE2 LYS 74 1HE LYS 74 20.083 -0.613 2.257 629 HE3 LYS 74 2HE LYS 74 19.487 -2.281 2.111 630 HZ1 LYS 74 3HZ LYS 74 17.938 0.176 1.525 631 HZ2 LYS 74 1HZ LYS 74 17.351 -1.371 1.405 632 HZ3 LYS 74 2HZ LYS 74 18.565 -0.854 0.407 633 H VAL 75 H VAL 75 18.063 -1.551 8.874 634 HA VAL 75 HA VAL 75 15.165 -0.906 8.457 635 HB VAL 75 HB VAL 75 16.393 -3.427 9.685 636 HG11 VAL 75 1HG1 VAL 75 14.223 -2.935 10.688 637 HG12 VAL 75 2HG1 VAL 75 13.493 -2.715 9.078 638 HG13 VAL 75 3HG1 VAL 75 14.063 -4.320 9.595 639 HG21 VAL 75 3HG2 VAL 75 16.809 -3.584 7.370 640 HG22 VAL 75 1HG2 VAL 75 15.362 -4.559 7.666 641 HG23 VAL 75 2HG2 VAL 75 15.209 -2.936 6.956 642 HA PRO 76 HA PRO 76 16.057 0.637 12.537 643 HB2 PRO 76 1HB PRO 76 13.628 1.577 13.310 644 HB3 PRO 76 2HB PRO 76 14.600 2.404 12.073 645 HG2 PRO 76 1HG PRO 76 12.306 0.528 11.705 646 HG3 PRO 76 2HG PRO 76 12.609 2.104 10.920 647 HD2 PRO 76 1HD PRO 76 13.196 -0.302 9.741 648 HD3 PRO 76 2HD PRO 76 14.139 1.194 9.424 649 H VAL 77 H VAL 77 15.770 -0.118 14.722 650 HA VAL 77 HA VAL 77 14.711 -2.765 14.975 651 HB VAL 77 HB VAL 77 15.076 -2.469 17.417 652 HG11 VAL 77 1HG1 VAL 77 16.935 -3.135 15.911 653 HG12 VAL 77 2HG1 VAL 77 17.386 -1.425 15.715 654 HG13 VAL 77 3HG1 VAL 77 17.510 -2.204 17.308 655 HG21 VAL 77 3HG2 VAL 77 14.449 -0.074 17.629 656 HG22 VAL 77 1HG2 VAL 77 16.063 -0.383 18.287 657 HG23 VAL 77 2HG2 VAL 77 15.897 0.389 16.699 658 H THR 78 H THR 78 13.201 0.372 15.157 659 HA THR 78 HA THR 78 10.948 -0.508 16.736 660 HB THR 78 HB THR 78 11.654 1.941 16.297 661 HG1 THR 78 HG1 THR 78 9.468 2.566 16.551 662 HG21 THR 78 1HG2 THR 78 10.669 3.105 14.489 663 HG22 THR 78 2HG2 THR 78 9.774 1.664 13.967 664 HG23 THR 78 3HG2 THR 78 11.538 1.733 13.782 665 H ALA 79 H ALA 79 11.886 -1.032 13.414 666 HA ALA 79 HA ALA 79 9.254 -1.281 12.312 667 HB1 ALA 79 3HB ALA 79 11.808 -2.784 11.623 668 HB2 ALA 79 1HB ALA 79 10.340 -2.718 10.619 669 HB3 ALA 79 2HB ALA 79 11.273 -1.238 10.926 670 H PHE 80 H PHE 80 11.272 -3.506 14.233 671 HA PHE 80 HA PHE 80 9.479 -5.754 13.911 672 HB2 PHE 80 1HB PHE 80 11.539 -5.161 16.063 673 HB3 PHE 80 2HB PHE 80 10.771 -6.726 15.766 674 HD1 PHE 80 HD2 PHE 80 11.258 -7.982 13.652 675 HD2 PHE 80 HD1 PHE 80 13.384 -4.401 14.725 676 HE1 PHE 80 HE2 PHE 80 13.030 -8.547 12.008 677 HE2 PHE 80 HE1 PHE 80 15.154 -4.941 13.069 678 HZ PHE 80 HZ PHE 80 14.979 -7.024 11.701 679 H SER 81 H SER 81 9.686 -3.019 16.127 680 HA SER 81 HA SER 81 7.832 -4.085 18.088 681 HB2 SER 81 1HB SER 81 9.429 -2.227 18.568 682 HB3 SER 81 2HB SER 81 8.530 -1.188 17.444 683 HG SER 81 HG SER 81 7.877 -0.903 19.625 684 H TYR 82 H TYR 82 7.608 -1.887 15.280 685 HA TYR 82 HA TYR 82 4.788 -1.463 15.383 686 HB2 TYR 82 1HB TYR 82 6.980 -1.204 13.369 687 HB3 TYR 82 2HB TYR 82 5.340 -1.355 12.731 688 HD1 TYR 82 HD1 TYR 82 3.593 0.283 13.307 689 HD2 TYR 82 HD2 TYR 82 7.685 0.875 14.519 690 HE1 TYR 82 HE1 TYR 82 3.136 2.704 13.718 691 HE2 TYR 82 HE2 TYR 82 7.214 3.296 14.916 692 HH TYR 82 HH TYR 82 5.590 5.058 14.512 693 H TRP 83 H TRP 83 6.794 -3.945 13.763 694 HA TRP 83 HA TRP 83 4.729 -5.272 12.382 695 HB2 TRP 83 1HB TRP 83 7.134 -5.719 12.060 696 HB3 TRP 83 2HB TRP 83 7.246 -6.372 13.691 697 HD1 TRP 83 HD1 TRP 83 5.883 -7.301 10.231 698 HE1 TRP 83 HE1 TRP 83 5.413 -9.799 10.113 699 HE3 TRP 83 HE3 TRP 83 6.738 -8.425 15.154 700 HZ2 TRP 83 HZ2 TRP 83 5.439 -12.003 11.905 701 HZ3 TRP 83 HZ3 TRP 83 6.546 -10.795 15.889 702 HH2 TRP 83 HH2 TRP 83 5.893 -12.571 14.265 703 H ASN 84 H ASN 84 5.824 -5.599 15.759 704 HA ASN 84 HA ASN 84 4.202 -7.888 16.349 705 HB2 ASN 84 1HB ASN 84 5.759 -5.882 17.903 706 HB3 ASN 84 2HB ASN 84 4.485 -6.751 18.767 707 HD21 ASN 84 2HD2 ASN 84 7.648 -6.908 17.484 708 HD22 ASN 84 1HD2 ASN 84 7.954 -8.582 17.895 709 H LEU 85 H LEU 85 3.429 -4.445 16.167 710 HA LEU 85 HA LEU 85 1.038 -4.623 17.795 711 HB2 LEU 85 1HB LEU 85 2.287 -2.525 17.259 712 HB3 LEU 85 2HB LEU 85 1.741 -2.649 15.590 713 HG LEU 85 HG LEU 85 -0.393 -2.672 17.668 714 HD11 LEU 85 1HD1 LEU 85 -0.300 -0.208 17.919 715 HD12 LEU 85 2HD1 LEU 85 1.231 -0.178 17.012 716 HD13 LEU 85 3HD1 LEU 85 1.143 -0.997 18.591 717 HD21 LEU 85 3HD2 LEU 85 -0.035 -1.177 15.026 718 HD22 LEU 85 1HD2 LEU 85 -1.513 -1.200 16.018 719 HD23 LEU 85 2HD2 LEU 85 -0.940 -2.692 15.254 720 H ILE 86 H ILE 86 1.760 -4.930 14.298 721 HA ILE 86 HA ILE 86 -1.051 -5.333 13.653 722 HB ILE 86 HB ILE 86 1.423 -5.916 12.008 723 HG12 ILE 86 1HG1 ILE 86 -0.187 -3.745 11.044 724 HG13 ILE 86 2HG1 ILE 86 0.115 -3.464 12.758 725 HG21 ILE 86 1HG2 ILE 86 -1.547 -5.842 11.289 726 HG22 ILE 86 2HG2 ILE 86 -0.223 -5.838 10.085 727 HG23 ILE 86 3HG2 ILE 86 -0.442 -7.228 11.161 728 HD11 ILE 86 3HD1 ILE 86 2.559 -3.879 12.275 729 HD12 ILE 86 1HD1 ILE 86 2.138 -3.822 10.548 730 HD13 ILE 86 2HD1 ILE 86 1.865 -2.399 11.582 731 H LYS 87 H LYS 87 1.705 -7.311 14.572 732 HA LYS 87 HA LYS 87 0.753 -9.863 13.788 733 HB2 LYS 87 1HB LYS 87 3.034 -9.311 14.699 734 HB3 LYS 87 2HB LYS 87 2.300 -9.106 16.284 735 HG2 LYS 87 1HG LYS 87 1.519 -11.526 16.064 736 HG3 LYS 87 2HG LYS 87 2.679 -11.622 14.721 737 HD2 LYS 87 1HD LYS 87 4.165 -12.127 16.385 738 HD3 LYS 87 2HD LYS 87 4.200 -10.376 16.596 739 HE2 LYS 87 1HE LYS 87 2.390 -10.557 18.306 740 HE3 LYS 87 2HE LYS 87 2.444 -12.326 18.147 741 HZ1 LYS 87 3HZ LYS 87 4.750 -12.257 18.889 742 HZ2 LYS 87 1HZ LYS 87 3.793 -11.510 20.007 743 HZ3 LYS 87 2HZ LYS 87 4.724 -10.607 18.982 744 H GLU 88 H GLU 88 0.318 -8.128 16.938 745 HA GLU 88 HA GLU 88 -1.422 -10.197 17.928 746 HB2 GLU 88 1HB GLU 88 -1.904 -8.665 19.757 747 HB3 GLU 88 2HB GLU 88 -0.172 -8.755 19.415 748 HG2 GLU 88 1HG GLU 88 -0.411 -6.643 18.090 749 HG3 GLU 88 2HG GLU 88 -2.060 -6.503 18.708 750 H LEU 89 H LEU 89 -2.027 -7.276 15.987 751 HA LEU 89 HA LEU 89 -4.814 -7.150 16.292 752 HB2 LEU 89 1HB LEU 89 -2.776 -6.074 14.571 753 HB3 LEU 89 2HB LEU 89 -4.137 -6.615 13.591 754 HG LEU 89 HG LEU 89 -5.586 -5.338 15.234 755 HD11 LEU 89 1HD1 LEU 89 -4.614 -3.371 16.305 756 HD12 LEU 89 2HD1 LEU 89 -2.986 -3.931 15.847 757 HD13 LEU 89 3HD1 LEU 89 -3.962 -4.877 16.991 758 HD21 LEU 89 3HD2 LEU 89 -5.289 -3.241 13.954 759 HD22 LEU 89 1HD2 LEU 89 -5.191 -4.665 12.899 760 HD23 LEU 89 2HD2 LEU 89 -3.702 -3.822 13.394 761 H ILE 90 H ILE 90 -2.838 -8.996 13.911 762 HA ILE 90 HA ILE 90 -5.243 -10.154 12.751 763 HB ILE 90 HB ILE 90 -2.351 -11.041 12.388 764 HG12 ILE 90 1HG1 ILE 90 -3.950 -9.292 10.503 765 HG13 ILE 90 2HG1 ILE 90 -2.904 -8.610 11.748 766 HG21 ILE 90 1HG2 ILE 90 -3.201 -12.056 10.274 767 HG22 ILE 90 2HG2 ILE 90 -4.030 -12.749 11.677 768 HG23 ILE 90 3HG2 ILE 90 -4.844 -11.524 10.679 769 HD11 ILE 90 3HD1 ILE 90 -1.695 -8.685 9.619 770 HD12 ILE 90 1HD1 ILE 90 -0.939 -9.808 10.772 771 HD13 ILE 90 2HD1 ILE 90 -1.981 -10.431 9.470 772 H ASP 91 H ASP 91 -2.773 -11.230 15.121 773 HA ASP 91 HA ASP 91 -3.566 -13.970 15.307 774 HB2 ASP 91 1HB ASP 91 -2.080 -12.041 17.031 775 HB3 ASP 91 2HB ASP 91 -2.844 -13.379 17.885 776 H LYS 92 H LYS 92 -5.039 -11.020 16.577 777 HA LYS 92 HA LYS 92 -7.144 -12.740 17.835 778 HB2 LYS 92 1HB LYS 92 -6.173 -9.988 18.674 779 HB3 LYS 92 2HB LYS 92 -7.553 -10.827 19.387 780 HG2 LYS 92 1HG LYS 92 -4.690 -11.845 19.446 781 HG3 LYS 92 2HG LYS 92 -5.524 -11.022 20.777 782 HD2 LYS 92 1HD LYS 92 -7.241 -12.830 20.799 783 HD3 LYS 92 2HD LYS 92 -6.347 -13.673 19.519 784 HE2 LYS 92 1HE LYS 92 -4.370 -13.804 21.000 785 HE3 LYS 92 2HE LYS 92 -5.322 -13.047 22.302 786 HZ1 LYS 92 3HZ LYS 92 -5.357 -15.472 22.450 787 HZ2 LYS 92 1HZ LYS 92 -6.000 -15.596 20.935 788 HZ3 LYS 92 2HZ LYS 92 -6.877 -14.904 22.149 789 H LYS 93 H LYS 93 -7.042 -11.730 15.014 790 HA LYS 93 HA LYS 93 -8.954 -9.595 14.791 791 HB2 LYS 93 1HB LYS 93 -9.190 -10.203 12.492 792 HB3 LYS 93 2HB LYS 93 -7.492 -10.383 12.936 793 HG2 LYS 93 1HG LYS 93 -7.855 -12.859 13.144 794 HG3 LYS 93 2HG LYS 93 -9.523 -12.628 12.586 795 HD2 LYS 93 1HD LYS 93 -8.698 -11.666 10.477 796 HD3 LYS 93 2HD LYS 93 -7.029 -11.841 11.041 797 HE2 LYS 93 1HE LYS 93 -7.479 -13.669 9.554 798 HE3 LYS 93 2HE LYS 93 -7.394 -14.322 11.202 799 HZ1 LYS 93 3HZ LYS 93 -9.272 -15.229 9.986 800 HZ2 LYS 93 1HZ LYS 93 -9.891 -13.726 9.709 801 HZ3 LYS 93 2HZ LYS 93 -9.827 -14.321 11.246 802 H GLU 94 H GLU 94 -9.280 -12.915 15.613 803 HA GLU 94 HA GLU 94 -11.918 -13.490 14.782 804 HB2 GLU 94 1HB GLU 94 -10.208 -15.085 15.584 805 HB3 GLU 94 2HB GLU 94 -10.329 -14.409 17.209 806 HG2 GLU 94 1HG GLU 94 -12.646 -15.165 17.372 807 HG3 GLU 94 2HG GLU 94 -12.545 -15.811 15.728 808 H VAL 95 H VAL 95 -10.717 -11.992 17.774 809 HA VAL 95 HA VAL 95 -13.524 -11.670 18.708 810 HB VAL 95 HB VAL 95 -12.515 -11.194 20.933 811 HG11 VAL 95 1HG1 VAL 95 -11.482 -13.791 19.698 812 HG12 VAL 95 2HG1 VAL 95 -11.791 -13.481 21.422 813 HG13 VAL 95 3HG1 VAL 95 -13.141 -13.515 20.272 814 HG21 VAL 95 3HG2 VAL 95 -9.844 -11.873 19.603 815 HG22 VAL 95 1HG2 VAL 95 -10.341 -10.256 20.158 816 HG23 VAL 95 2HG2 VAL 95 -10.117 -11.563 21.331 817 H ASN 96 H ASN 96 -11.595 -10.031 16.787 818 HA ASN 96 HA ASN 96 -12.462 -7.373 17.871 819 HB2 ASN 96 1HB ASN 96 -9.831 -8.177 16.607 820 HB3 ASN 96 2HB ASN 96 -10.419 -6.511 16.582 821 HD21 ASN 96 2HD2 ASN 96 -8.911 -8.945 18.443 822 HD22 ASN 96 1HD2 ASN 96 -8.724 -7.985 19.900 823 HA PRO 97 HA PRO 97 -14.150 -8.278 13.703 824 HB2 PRO 97 1HB PRO 97 -16.516 -6.907 13.918 825 HB3 PRO 97 2HB PRO 97 -16.289 -8.570 14.553 826 HG2 PRO 97 1HG PRO 97 -16.073 -5.950 16.033 827 HG3 PRO 97 2HG PRO 97 -17.029 -7.409 16.457 828 HD2 PRO 97 1HD PRO 97 -14.620 -6.971 17.564 829 HD3 PRO 97 2HD PRO 97 -15.105 -8.629 17.061 830 H GLN 98 H GLN 98 -13.708 -5.228 15.444 831 HA GLN 98 HA GLN 98 -13.993 -3.542 13.116 832 HB2 GLN 98 1HB GLN 98 -13.297 -1.786 14.445 833 HB3 GLN 98 2HB GLN 98 -14.067 -2.854 15.609 834 HG2 GLN 98 1HG GLN 98 -11.037 -2.712 15.193 835 HG3 GLN 98 2HG GLN 98 -11.912 -1.717 16.348 836 HE21 GLN 98 2HE2 GLN 98 -10.207 -2.874 17.699 837 HE22 GLN 98 1HE2 GLN 98 -10.710 -4.386 18.445 838 H VAL 99 H VAL 99 -11.465 -5.619 14.365 839 HA VAL 99 HA VAL 99 -9.400 -4.423 12.624 840 HB VAL 99 HB VAL 99 -9.501 -6.899 14.394 841 HG11 VAL 99 1HG1 VAL 99 -7.060 -7.134 13.865 842 HG12 VAL 99 2HG1 VAL 99 -8.176 -7.572 12.556 843 HG13 VAL 99 3HG1 VAL 99 -7.313 -6.009 12.511 844 HG21 VAL 99 3HG2 VAL 99 -7.812 -5.711 15.706 845 HG22 VAL 99 1HG2 VAL 99 -7.843 -4.357 14.549 846 HG23 VAL 99 2HG2 VAL 99 -9.275 -4.725 15.538 847 H MET 100 H MET 100 -11.467 -7.333 12.823 848 HA MET 100 HA MET 100 -10.376 -8.615 10.551 849 HB2 MET 100 1HB MET 100 -11.806 -9.570 12.358 850 HB3 MET 100 2HB MET 100 -13.179 -8.787 11.611 851 HG2 MET 100 1HG MET 100 -11.914 -10.238 9.541 852 HG3 MET 100 2HG MET 100 -11.868 -11.291 10.962 853 HE1 MET 100 3HE MET 100 -13.839 -9.874 8.070 854 HE2 MET 100 1HE MET 100 -15.553 -10.004 8.537 855 HE3 MET 100 2HE MET 100 -14.532 -8.737 9.252 856 H ALA 101 H ALA 101 -12.816 -6.044 10.772 857 HA ALA 101 HA ALA 101 -13.758 -6.228 8.076 858 HB1 ALA 101 3HB ALA 101 -14.888 -4.854 9.749 859 HB2 ALA 101 1HB ALA 101 -13.445 -3.829 9.928 860 HB3 ALA 101 2HB ALA 101 -14.357 -3.821 8.399 861 H ALA 102 H ALA 102 -10.834 -4.754 9.487 862 HA ALA 102 HA ALA 102 -10.046 -3.447 7.009 863 HB1 ALA 102 3HB ALA 102 -7.903 -3.077 8.225 864 HB2 ALA 102 1HB ALA 102 -9.309 -2.540 9.157 865 HB3 ALA 102 2HB ALA 102 -8.510 -4.066 9.568 866 H VAL 103 H VAL 103 -9.465 -6.525 8.663 867 HA VAL 103 HA VAL 103 -7.251 -7.448 7.141 868 HB VAL 103 HB VAL 103 -9.585 -8.925 8.448 869 HG11 VAL 103 1HG1 VAL 103 -8.618 -10.320 6.602 870 HG12 VAL 103 2HG1 VAL 103 -7.066 -10.256 7.459 871 HG13 VAL 103 3HG1 VAL 103 -8.467 -11.015 8.219 872 HG21 VAL 103 3HG2 VAL 103 -7.981 -9.439 10.215 873 HG22 VAL 103 1HG2 VAL 103 -6.673 -8.662 9.297 874 HG23 VAL 103 2HG2 VAL 103 -8.009 -7.691 9.945 875 H ALA 104 H ALA 104 -10.777 -7.888 6.590 876 HA ALA 104 HA ALA 104 -10.424 -9.238 4.098 877 HB1 ALA 104 3HB ALA 104 -12.801 -7.617 5.120 878 HB2 ALA 104 1HB ALA 104 -12.831 -8.808 3.795 879 HB3 ALA 104 2HB ALA 104 -12.485 -9.336 5.460 880 H GLN 105 H GLN 105 -10.957 -5.770 4.867 881 HA GLN 105 HA GLN 105 -11.198 -4.909 2.154 882 HB2 GLN 105 1HB GLN 105 -10.471 -3.591 4.768 883 HB3 GLN 105 2HB GLN 105 -10.190 -2.724 3.242 884 HG2 GLN 105 1HG GLN 105 -12.593 -3.167 2.638 885 HG3 GLN 105 2HG GLN 105 -12.828 -3.764 4.288 886 HE21 GLN 105 2HE2 GLN 105 -13.436 -2.321 5.757 887 HE22 GLN 105 1HE2 GLN 105 -13.286 -0.584 5.595 888 H THR 106 H THR 106 -8.317 -5.440 4.210 889 HA THR 106 HA THR 106 -6.563 -4.134 2.344 890 HB THR 106 HB THR 106 -5.772 -6.257 4.370 891 HG1 THR 106 HG1 THR 106 -6.919 -4.664 5.440 892 HG21 THR 106 1HG2 THR 106 -4.364 -4.091 2.818 893 HG22 THR 106 2HG2 THR 106 -3.852 -5.760 3.161 894 HG23 THR 106 3HG2 THR 106 -3.794 -4.529 4.436 895 H GLU 107 H GLU 107 -7.673 -7.527 2.717 896 HA GLU 107 HA GLU 107 -5.966 -8.646 0.728 897 HB2 GLU 107 1HB GLU 107 -8.793 -9.390 1.548 898 HB3 GLU 107 2HB GLU 107 -7.776 -10.363 0.473 899 HG2 GLU 107 1HG GLU 107 -6.078 -10.531 2.251 900 HG3 GLU 107 2HG GLU 107 -7.124 -9.616 3.330 901 H GLU 108 H GLU 108 -9.095 -6.894 0.367 902 HA GLU 108 HA GLU 108 -9.413 -7.341 -2.450 903 HB2 GLU 108 1HB GLU 108 -10.033 -4.804 -0.868 904 HB3 GLU 108 2HB GLU 108 -10.624 -5.164 -2.476 905 HG2 GLU 108 1HG GLU 108 -11.971 -7.004 -1.578 906 HG3 GLU 108 2HG GLU 108 -11.366 -6.647 0.052 907 H ILE 109 H ILE 109 -7.806 -4.803 -0.581 908 HA ILE 109 HA ILE 109 -7.021 -3.230 -2.833 909 HB ILE 109 HB ILE 109 -6.064 -3.305 0.062 910 HG12 ILE 109 1HG1 ILE 109 -7.794 -1.229 -1.329 911 HG13 ILE 109 2HG1 ILE 109 -8.494 -2.686 -0.640 912 HG21 ILE 109 1HG2 ILE 109 -4.254 -2.285 -1.317 913 HG22 ILE 109 2HG2 ILE 109 -5.427 -1.192 -2.082 914 HG23 ILE 109 3HG2 ILE 109 -5.054 -1.044 -0.350 915 HD11 ILE 109 3HD1 ILE 109 -7.393 -2.011 1.576 916 HD12 ILE 109 1HD1 ILE 109 -7.155 -0.421 0.811 917 HD13 ILE 109 2HD1 ILE 109 -8.793 -1.072 1.017 918 H LEU 110 H LEU 110 -5.302 -5.771 -0.975 919 HA LEU 110 HA LEU 110 -2.739 -5.288 -2.096 920 HB2 LEU 110 1HB LEU 110 -4.098 -7.450 -0.647 921 HB3 LEU 110 2HB LEU 110 -2.864 -8.036 -1.761 922 HG LEU 110 HG LEU 110 -1.154 -6.701 -0.680 923 HD11 LEU 110 1HD1 LEU 110 -1.709 -5.520 1.472 924 HD12 LEU 110 2HD1 LEU 110 -3.412 -5.649 1.011 925 HD13 LEU 110 3HD1 LEU 110 -2.287 -4.730 -0.003 926 HD21 LEU 110 3HD2 LEU 110 -1.544 -8.900 0.253 927 HD22 LEU 110 1HD2 LEU 110 -2.879 -8.290 1.259 928 HD23 LEU 110 2HD2 LEU 110 -1.207 -7.783 1.579 929 H LYS 111 H LYS 111 -5.436 -7.247 -3.397 930 HA LYS 111 HA LYS 111 -3.822 -8.360 -5.515 931 HB2 LYS 111 1HB LYS 111 -6.830 -7.953 -5.307 932 HB3 LYS 111 2HB LYS 111 -6.026 -8.882 -6.576 933 HG2 LYS 111 1HG LYS 111 -5.995 -9.542 -3.601 934 HG3 LYS 111 2HG LYS 111 -6.947 -10.361 -4.850 935 HD2 LYS 111 1HD LYS 111 -4.773 -10.967 -5.997 936 HD3 LYS 111 2HD LYS 111 -3.915 -10.303 -4.590 937 HE2 LYS 111 1HE LYS 111 -5.164 -11.902 -3.129 938 HE3 LYS 111 2HE LYS 111 -5.877 -12.628 -4.584 939 HZ1 LYS 111 3HZ LYS 111 -3.728 -13.320 -5.299 940 HZ2 LYS 111 1HZ LYS 111 -3.811 -13.736 -3.701 941 HZ3 LYS 111 2HZ LYS 111 -2.944 -12.417 -4.166 942 H SER 112 H SER 112 -5.586 -5.316 -5.197 943 HA SER 112 HA SER 112 -5.245 -4.700 -8.057 944 HB2 SER 112 1HB SER 112 -7.186 -3.867 -6.710 945 HB3 SER 112 2HB SER 112 -6.058 -2.893 -5.745 946 HG SER 112 HG SER 112 -5.396 -2.067 -7.958 947 H ASN 113 H ASN 113 -3.783 -3.841 -4.946 948 HA ASN 113 HA ASN 113 -2.074 -1.747 -5.829 949 HB2 ASN 113 1HB ASN 113 -2.742 -2.372 -3.470 950 HB3 ASN 113 2HB ASN 113 -1.618 -3.736 -3.563 951 HD21 ASN 113 2HD2 ASN 113 -1.962 -0.253 -3.496 952 HD22 ASN 113 1HD2 ASN 113 -0.321 0.063 -3.008 953 H SER 114 H SER 114 -1.805 -5.232 -5.978 954 HA SER 114 HA SER 114 -0.358 -6.655 -6.839 955 HB2 SER 114 1HB SER 114 0.458 -4.324 -8.594 956 HB3 SER 114 2HB SER 114 0.511 -6.058 -8.952 957 HG SER 114 HG SER 114 -1.772 -4.417 -8.638 958 H GLN 115 H GLN 115 2.044 -6.744 -7.823 959 HA GLN 115 HA GLN 115 3.743 -6.315 -5.523 960 HB2 GLN 115 1HB GLN 115 4.065 -8.148 -7.184 961 HB3 GLN 115 2HB GLN 115 4.575 -6.947 -8.378 962 HG2 GLN 115 1HG GLN 115 6.478 -6.321 -6.981 963 HG3 GLN 115 2HG GLN 115 5.933 -7.415 -5.705 964 HE21 GLN 115 2HE2 GLN 115 8.237 -7.127 -7.904 965 HE22 GLN 115 1HE2 GLN 115 8.463 -8.798 -8.362 966 H THR 116 H THR 116 3.501 -4.749 -8.766 967 HA THR 116 HA THR 116 4.697 -2.322 -7.584 968 HB THR 116 HB THR 116 6.002 -2.278 -9.901 969 HG1 THR 116 HG1 THR 116 5.356 -4.196 -10.746 970 HG21 THR 116 1HG2 THR 116 7.933 -3.119 -8.764 971 HG22 THR 116 2HG2 THR 116 6.915 -4.005 -7.605 972 HG23 THR 116 3HG2 THR 116 6.927 -2.229 -7.593 973 H ASP 117 H ASP 117 2.453 -1.624 -7.791 974 HA ASP 117 HA ASP 117 2.244 -0.197 -10.400 975 HB2 ASP 117 1HB ASP 117 0.505 -2.069 -10.239 976 HB3 ASP 117 2HB ASP 117 -0.227 -1.142 -8.920 977 H LEU 118 H LEU 118 3.621 0.662 -8.290 978 HA LEU 118 HA LEU 118 2.052 2.054 -6.308 979 HB2 LEU 118 1HB LEU 118 4.956 2.398 -7.154 980 HB3 LEU 118 2HB LEU 118 4.225 3.118 -5.725 981 HG LEU 118 HG LEU 118 3.709 0.363 -5.470 982 HD11 LEU 118 1HD1 LEU 118 5.931 -0.662 -5.668 983 HD12 LEU 118 2HD1 LEU 118 6.608 0.860 -6.287 984 HD13 LEU 118 3HD1 LEU 118 5.411 -0.041 -7.247 985 HD21 LEU 118 3HD2 LEU 118 5.844 2.151 -4.225 986 HD22 LEU 118 1HD2 LEU 118 5.326 0.579 -3.583 987 HD23 LEU 118 2HD2 LEU 118 4.174 1.927 -3.646 988 H GLU 119 H GLU 119 1.929 4.297 -5.967 989 HA GLU 119 HA GLU 119 1.424 5.988 -8.233 990 HB2 GLU 119 1HB GLU 119 2.007 6.690 -5.348 991 HB3 GLU 119 2HB GLU 119 1.262 7.766 -6.529 992 HG2 GLU 119 1HG GLU 119 -0.705 6.333 -6.623 993 HG3 GLU 119 2HG GLU 119 0.045 5.215 -5.458 994 H HIS 120 H HIS 120 4.229 4.843 -7.987 995 HA HIS 120 HA HIS 120 6.361 5.418 -8.461 996 HB2 HIS 120 1HB HIS 120 5.497 8.232 -9.116 997 HB3 HIS 120 2HB HIS 120 6.775 7.260 -9.855 998 HD1 HIS 120 HD1 HIS 120 3.168 8.137 -10.146 999 HD2 HIS 120 HD2 HIS 120 5.695 5.103 -11.560 1000 HE1 HIS 120 HE1 HIS 120 1.918 6.935 -12.020 1001 H HIS 121 H HIS 121 4.928 6.520 -5.779 1002 HA HIS 121 HA HIS 121 6.862 8.439 -4.771 1003 HB2 HIS 121 1HB HIS 121 5.276 6.392 -3.152 1004 HB3 HIS 121 2HB HIS 121 5.974 7.902 -2.565 1005 HD1 HIS 121 HD1 HIS 121 4.700 9.573 -5.178 1006 HD2 HIS 121 HD2 HIS 121 2.701 7.186 -2.368 1007 HE1 HIS 121 HE1 HIS 121 2.262 10.323 -5.151 1008 H HIS 122 H HIS 122 8.824 7.983 -3.646 1009 HA HIS 122 HA HIS 122 9.473 5.215 -2.917 1010 HB2 HIS 122 1HB HIS 122 11.624 5.224 -4.193 1011 HB3 HIS 122 2HB HIS 122 10.195 5.123 -5.225 1012 HD1 HIS 122 HD1 HIS 122 9.556 7.272 -6.684 1013 HD2 HIS 122 HD2 HIS 122 13.220 7.487 -4.630 1014 HE1 HIS 122 HE1 HIS 122 10.875 9.207 -7.696 1015 H HIS 123 H HIS 123 11.203 5.176 -1.364 1016 HA HIS 123 HA HIS 123 12.349 7.770 -0.485 1017 HB2 HIS 123 1HB HIS 123 10.537 6.050 1.281 1018 HB3 HIS 123 2HB HIS 123 11.498 7.425 1.837 1019 HD1 HIS 123 HD1 HIS 123 8.138 6.580 0.652 1020 HD2 HIS 123 HD2 HIS 123 10.625 9.962 0.501 1021 HE1 HIS 123 HE1 HIS 123 6.647 8.583 0.148 1022 H HIS 124 H HIS 124 13.839 7.319 1.445 1023 HA HIS 124 HA HIS 124 15.616 6.221 2.392 1024 HB2 HIS 124 1HB HIS 124 13.566 4.704 3.043 1025 HB3 HIS 124 2HB HIS 124 14.262 3.556 1.898 1026 HD1 HIS 124 HD1 HIS 124 15.909 5.710 4.695 1027 HD2 HIS 124 HD2 HIS 124 15.580 1.725 3.426 1028 HE1 HIS 124 HE1 HIS 124 17.331 4.297 6.282 1029 H HIS 125 H HIS 125 16.991 3.856 1.862 1030 HA HIS 125 HA HIS 125 17.330 3.481 -0.995 1031 HB2 HIS 125 1HB HIS 125 19.622 4.166 -1.174 1032 HB3 HIS 125 2HB HIS 125 18.731 5.567 -0.571 1033 HD1 HIS 125 HD1 HIS 125 20.803 2.648 0.878 1034 HD2 HIS 125 HD2 HIS 125 19.992 6.701 1.595 1035 HE1 HIS 125 HE1 HIS 125 22.286 3.372 2.841
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