NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18112 | 2di9 | 10320 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 25.493 -16.114 -10.381 2 HA2 GLY 1 1HA GLY 1 23.087 -16.945 -8.964 3 HA3 GLY 1 2HA GLY 1 23.329 -15.211 -9.122 4 H SER 2 H SER 2 21.293 -15.264 -10.297 5 HA SER 2 HA SER 2 21.746 -15.859 -13.137 6 HB2 SER 2 1HB SER 2 19.339 -16.595 -13.285 7 HB3 SER 2 2HB SER 2 20.387 -17.690 -12.383 8 HG SER 2 HG SER 2 19.078 -15.687 -10.953 9 H SER 3 H SER 3 19.880 -14.831 -14.470 10 HA SER 3 HA SER 3 18.789 -12.404 -13.331 11 HB2 SER 3 1HB SER 3 19.881 -10.877 -14.856 12 HB3 SER 3 2HB SER 3 21.122 -11.786 -13.993 13 HG SER 3 HG SER 3 21.661 -12.798 -15.792 14 H GLY 4 H GLY 4 17.686 -11.101 -15.203 15 HA2 GLY 4 1HA GLY 4 16.406 -13.065 -17.004 16 HA3 GLY 4 2HA GLY 4 15.509 -11.789 -16.193 17 H SER 5 H SER 5 14.745 -10.932 -18.136 18 HA SER 5 HA SER 5 16.460 -8.998 -19.347 19 HB2 SER 5 1HB SER 5 15.798 -11.519 -20.833 20 HB3 SER 5 2HB SER 5 15.967 -10.001 -21.715 21 HG SER 5 HG SER 5 17.941 -11.198 -21.547 22 H SER 6 H SER 6 15.319 -7.405 -20.394 23 HA SER 6 HA SER 6 12.555 -7.784 -21.131 24 HB2 SER 6 1HB SER 6 11.723 -5.975 -19.624 25 HB3 SER 6 2HB SER 6 12.257 -7.413 -18.754 26 HG SER 6 HG SER 6 13.061 -5.504 -17.797 27 H GLY 7 H GLY 7 11.611 -5.787 -22.068 28 HA2 GLY 7 1HA GLY 7 13.685 -4.361 -23.554 29 HA3 GLY 7 2HA GLY 7 11.973 -4.409 -23.946 30 H ASP 8 H ASP 8 11.862 -2.165 -24.193 31 HA ASP 8 HA ASP 8 11.510 -0.735 -21.694 32 HB2 ASP 8 1HB ASP 8 12.926 1.162 -22.383 33 HB3 ASP 8 2HB ASP 8 13.867 -0.313 -22.177 34 H VAL 9 H VAL 9 9.807 0.591 -21.807 35 HA VAL 9 HA VAL 9 8.456 0.888 -24.362 36 HB VAL 9 HB VAL 9 6.602 1.834 -23.050 37 HG11 VAL 9 1HG1 VAL 9 7.780 -0.821 -22.458 38 HG12 VAL 9 2HG1 VAL 9 6.427 -0.291 -21.457 39 HG13 VAL 9 3HG1 VAL 9 6.239 -0.405 -23.207 40 HG21 VAL 9 1HG2 VAL 9 8.651 2.223 -21.111 41 HG22 VAL 9 2HG2 VAL 9 6.975 2.767 -21.069 42 HG23 VAL 9 3HG2 VAL 9 7.405 1.188 -20.414 43 H THR 10 H THR 10 7.839 2.871 -25.266 44 HA THR 10 HA THR 10 9.402 5.187 -24.322 45 HB THR 10 HB THR 10 9.454 5.979 -26.657 46 HG1 THR 10 1HG THR 10 7.850 3.723 -27.005 47 HG21 THR 10 1HG2 THR 10 11.408 4.840 -26.063 48 HG22 THR 10 2HG2 THR 10 10.907 4.050 -27.558 49 HG23 THR 10 3HG2 THR 10 10.591 3.279 -26.003 50 H TYR 11 H TYR 11 8.435 7.211 -24.329 51 HA TYR 11 HA TYR 11 5.596 7.351 -25.048 52 HB2 TYR 11 1HB TYR 11 4.927 8.242 -22.971 53 HB3 TYR 11 2HB TYR 11 5.955 6.875 -22.556 54 HD1 TYR 11 1HD TYR 11 6.050 10.573 -23.007 55 HD2 TYR 11 2HD TYR 11 7.743 7.171 -21.094 56 HE1 TYR 11 1HE TYR 11 7.449 12.053 -21.628 57 HE2 TYR 11 2HE TYR 11 9.146 8.641 -19.708 58 HH TYR 11 HH TYR 11 9.903 11.584 -20.335 59 H ASP 12 H ASP 12 4.793 9.629 -25.053 60 HA ASP 12 HA ASP 12 6.886 11.627 -25.476 61 HB2 ASP 12 1HB ASP 12 4.735 10.994 -27.508 62 HB3 ASP 12 2HB ASP 12 5.858 12.348 -27.604 63 H GLY 13 H GLY 13 6.381 13.468 -24.489 64 HA2 GLY 13 1HA GLY 13 3.549 14.214 -24.232 65 HA3 GLY 13 2HA GLY 13 4.541 14.128 -22.784 66 H HIS 14 H HIS 14 3.464 16.461 -23.048 67 HA HIS 14 HA HIS 14 5.634 18.172 -24.044 68 HB2 HIS 14 1HB HIS 14 2.675 18.640 -24.464 69 HB3 HIS 14 2HB HIS 14 3.933 19.822 -24.812 70 HD1 HIS 14 1HD HIS 14 2.656 16.472 -25.985 71 HD2 HIS 14 2HD HIS 14 5.197 19.512 -27.237 72 HE1 HIS 14 1HE HIS 14 3.240 15.922 -28.368 73 HE2 HIS 14 2HE HIS 14 4.845 17.728 -29.077 74 HA PRO 15 HA PRO 15 5.415 19.995 -20.045 75 HB2 PRO 15 1HB PRO 15 6.575 22.387 -20.593 76 HB3 PRO 15 2HB PRO 15 7.488 20.877 -20.498 77 HG2 PRO 15 1HG PRO 15 6.484 22.335 -22.912 78 HG3 PRO 15 2HG PRO 15 8.057 21.560 -22.647 79 HD2 PRO 15 1HD PRO 15 6.076 20.385 -24.071 80 HD3 PRO 15 2HD PRO 15 7.238 19.455 -23.104 81 H VAL 16 H VAL 16 4.408 21.702 -18.858 82 HA VAL 16 HA VAL 16 1.859 22.405 -19.673 83 HB VAL 16 HB VAL 16 1.892 24.094 -17.853 84 HG11 VAL 16 1HG1 VAL 16 1.721 22.514 -16.227 85 HG12 VAL 16 2HG1 VAL 16 1.782 21.444 -17.629 86 HG13 VAL 16 3HG1 VAL 16 3.237 21.731 -16.673 87 HG21 VAL 16 1HG2 VAL 16 4.769 23.263 -17.496 88 HG22 VAL 16 2HG2 VAL 16 4.243 24.803 -18.175 89 HG23 VAL 16 3HG2 VAL 16 3.867 24.404 -16.499 90 HA PRO 17 HA PRO 17 2.341 25.766 -22.471 91 HB2 PRO 17 1HB PRO 17 -0.051 26.998 -22.106 92 HB3 PRO 17 2HB PRO 17 0.120 25.470 -22.979 93 HG2 PRO 17 1HG PRO 17 -0.726 25.951 -20.148 94 HG3 PRO 17 2HG PRO 17 -1.410 24.836 -21.346 95 HD2 PRO 17 1HD PRO 17 0.276 24.019 -19.391 96 HD3 PRO 17 2HD PRO 17 0.227 23.253 -20.992 97 H GLY 18 H GLY 18 2.443 26.094 -19.177 98 HA2 GLY 18 1HA GLY 18 2.409 29.020 -19.170 99 HA3 GLY 18 2HA GLY 18 2.519 27.980 -17.757 100 H SER 19 H SER 19 4.568 26.867 -17.382 101 HA SER 19 HA SER 19 6.852 28.332 -18.532 102 HB2 SER 19 1HB SER 19 6.600 27.349 -15.679 103 HB3 SER 19 2HB SER 19 7.964 28.233 -16.362 104 HG SER 19 HG SER 19 6.420 29.534 -15.168 105 HA PRO 20 HA PRO 20 7.438 23.839 -19.385 106 HB2 PRO 20 1HB PRO 20 8.527 24.231 -21.841 107 HB3 PRO 20 2HB PRO 20 6.783 24.149 -21.565 108 HG2 PRO 20 1HG PRO 20 8.537 26.553 -21.889 109 HG3 PRO 20 2HG PRO 20 6.935 26.236 -22.579 110 HD2 PRO 20 1HD PRO 20 7.301 27.807 -20.404 111 HD3 PRO 20 2HD PRO 20 5.844 26.818 -20.633 112 H TYR 21 H TYR 21 9.405 26.544 -18.929 113 HA TYR 21 HA TYR 21 11.915 25.154 -19.387 114 HB2 TYR 21 1HB TYR 21 11.294 27.944 -18.406 115 HB3 TYR 21 2HB TYR 21 12.925 27.314 -18.603 116 HD1 TYR 21 1HD TYR 21 13.419 26.301 -21.005 117 HD2 TYR 21 2HD TYR 21 10.371 29.144 -20.149 118 HE1 TYR 21 1HE TYR 21 13.403 26.987 -23.367 119 HE2 TYR 21 2HE TYR 21 10.346 29.837 -22.509 120 HH TYR 21 HH TYR 21 12.252 29.714 -24.482 121 H THR 22 H THR 22 9.835 24.549 -17.196 122 HA THR 22 HA THR 22 11.781 24.451 -14.987 123 HB THR 22 HB THR 22 8.860 24.566 -14.369 124 HG1 THR 22 1HG THR 22 9.522 26.377 -15.824 125 HG21 THR 22 1HG2 THR 22 11.365 25.518 -12.976 126 HG22 THR 22 2HG2 THR 22 10.396 24.104 -12.561 127 HG23 THR 22 3HG2 THR 22 9.729 25.722 -12.351 128 H VAL 23 H VAL 23 11.533 22.660 -13.525 129 HA VAL 23 HA VAL 23 10.703 20.251 -14.902 130 HB VAL 23 HB VAL 23 11.926 20.543 -12.155 131 HG11 VAL 23 1HG1 VAL 23 12.656 18.109 -12.924 132 HG12 VAL 23 2HG1 VAL 23 11.130 18.410 -12.090 133 HG13 VAL 23 3HG1 VAL 23 11.157 18.229 -13.845 134 HG21 VAL 23 1HG2 VAL 23 13.146 20.254 -14.880 135 HG22 VAL 23 2HG2 VAL 23 13.536 21.414 -13.610 136 HG23 VAL 23 3HG2 VAL 23 13.997 19.721 -13.431 137 H GLU 24 H GLU 24 8.826 22.346 -13.625 138 HA GLU 24 HA GLU 24 6.980 22.408 -12.244 139 HB2 GLU 24 1HB GLU 24 5.310 20.752 -12.905 140 HB3 GLU 24 2HB GLU 24 6.177 21.361 -14.309 141 HG2 GLU 24 1HG GLU 24 7.573 19.343 -14.304 142 HG3 GLU 24 2HG GLU 24 6.656 18.729 -12.930 143 H ALA 25 H ALA 25 9.338 21.162 -11.005 144 HA ALA 25 HA ALA 25 8.066 19.195 -9.230 145 HB1 ALA 25 1HB ALA 25 10.912 19.730 -9.979 146 HB2 ALA 25 2HB ALA 25 10.525 18.882 -8.481 147 HB3 ALA 25 3HB ALA 25 10.006 18.217 -10.030 148 H SER 26 H SER 26 7.951 22.260 -9.219 149 HA SER 26 HA SER 26 8.920 22.665 -6.466 150 HB2 SER 26 1HB SER 26 8.406 24.684 -8.662 151 HB3 SER 26 2HB SER 26 8.835 25.105 -7.004 152 HG SER 26 HG SER 26 10.580 24.908 -8.681 153 H LEU 27 H LEU 27 6.899 21.504 -5.868 154 HA LEU 27 HA LEU 27 4.807 23.447 -5.339 155 HB2 LEU 27 1HB LEU 27 4.216 20.826 -6.705 156 HB3 LEU 27 2HB LEU 27 3.018 21.978 -6.119 157 HG LEU 27 HG LEU 27 5.007 22.556 -8.312 158 HD11 LEU 27 1HD1 LEU 27 2.528 21.077 -8.349 159 HD12 LEU 27 2HD1 LEU 27 3.713 21.323 -9.631 160 HD13 LEU 27 3HD1 LEU 27 2.438 22.513 -9.369 161 HD21 LEU 27 1HD2 LEU 27 2.496 24.042 -7.573 162 HD22 LEU 27 2HD2 LEU 27 3.762 24.537 -8.697 163 HD23 LEU 27 3HD2 LEU 27 4.093 24.478 -6.965 164 HA PRO 28 HA PRO 28 4.782 21.343 -1.473 165 HB2 PRO 28 1HB PRO 28 2.355 22.145 -0.559 166 HB3 PRO 28 2HB PRO 28 3.758 23.219 -0.629 167 HG2 PRO 28 1HG PRO 28 1.459 22.979 -2.531 168 HG3 PRO 28 2HG PRO 28 2.248 24.439 -1.909 169 HD2 PRO 28 1HD PRO 28 2.772 23.435 -4.368 170 HD3 PRO 28 2HD PRO 28 3.997 24.282 -3.402 171 HA PRO 29 HA PRO 29 2.649 17.534 -2.152 172 HB2 PRO 29 1HB PRO 29 2.820 16.525 0.363 173 HB3 PRO 29 2HB PRO 29 4.200 16.594 -0.740 174 HG2 PRO 29 1HG PRO 29 3.471 18.440 1.502 175 HG3 PRO 29 2HG PRO 29 5.060 17.787 1.062 176 HD2 PRO 29 1HD PRO 29 4.282 20.295 0.400 177 HD3 PRO 29 2HD PRO 29 5.369 19.332 -0.621 178 H ASP 30 H ASP 30 0.524 18.058 -2.568 179 HA ASP 30 HA ASP 30 -1.222 18.597 -0.268 180 HB2 ASP 30 1HB ASP 30 -1.403 19.202 -3.193 181 HB3 ASP 30 2HB ASP 30 -2.890 19.039 -2.262 182 HA PRO 31 HA PRO 31 -2.188 14.204 -0.905 183 HB2 PRO 31 1HB PRO 31 -3.183 13.850 1.596 184 HB3 PRO 31 2HB PRO 31 -1.453 13.807 1.236 185 HG2 PRO 31 1HG PRO 31 -3.099 16.043 2.355 186 HG3 PRO 31 2HG PRO 31 -1.490 15.484 2.847 187 HD2 PRO 31 1HD PRO 31 -1.860 17.658 1.276 188 HD3 PRO 31 2HD PRO 31 -0.438 16.606 1.130 189 H SER 32 H SER 32 -4.239 16.674 0.606 190 HA SER 32 HA SER 32 -6.695 15.447 0.513 191 HB2 SER 32 1HB SER 32 -6.138 18.354 -0.128 192 HB3 SER 32 2HB SER 32 -7.681 17.685 0.404 193 HG SER 32 HG SER 32 -5.926 18.655 1.960 194 H LYS 33 H LYS 33 -4.765 16.584 -2.119 195 HA LYS 33 HA LYS 33 -6.961 16.470 -4.022 196 HB2 LYS 33 1HB LYS 33 -4.017 17.057 -4.371 197 HB3 LYS 33 2HB LYS 33 -5.188 17.071 -5.682 198 HG2 LYS 33 1HG LYS 33 -5.469 18.803 -3.245 199 HG3 LYS 33 2HG LYS 33 -4.581 19.309 -4.684 200 HD2 LYS 33 1HD LYS 33 -6.564 19.089 -6.039 201 HD3 LYS 33 2HD LYS 33 -7.465 18.421 -4.676 202 HE2 LYS 33 1HE LYS 33 -8.031 20.759 -5.001 203 HE3 LYS 33 2HE LYS 33 -7.186 20.539 -3.470 204 HZ1 LYS 33 1HZ LYS 33 -5.342 21.622 -4.223 205 HZ2 LYS 33 2HZ LYS 33 -6.527 22.451 -5.098 206 HZ3 LYS 33 3HZ LYS 33 -5.618 21.237 -5.847 207 H VAL 34 H VAL 34 -4.368 14.489 -2.870 208 HA VAL 34 HA VAL 34 -4.003 12.755 -5.024 209 HB VAL 34 HB VAL 34 -3.835 12.176 -2.065 210 HG11 VAL 34 1HG1 VAL 34 -2.628 10.564 -4.303 211 HG12 VAL 34 2HG1 VAL 34 -2.655 10.177 -2.582 212 HG13 VAL 34 3HG1 VAL 34 -4.150 10.149 -3.517 213 HG21 VAL 34 1HG2 VAL 34 -2.325 13.940 -2.975 214 HG22 VAL 34 2HG2 VAL 34 -1.479 12.547 -2.301 215 HG23 VAL 34 3HG2 VAL 34 -1.632 12.724 -4.049 216 H LYS 35 H LYS 35 -5.560 11.713 -6.076 217 HA LYS 35 HA LYS 35 -7.801 10.582 -4.545 218 HB2 LYS 35 1HB LYS 35 -7.520 11.423 -7.421 219 HB3 LYS 35 2HB LYS 35 -8.829 10.373 -6.896 220 HG2 LYS 35 1HG LYS 35 -8.391 12.909 -5.415 221 HG3 LYS 35 2HG LYS 35 -9.111 12.989 -7.025 222 HD2 LYS 35 1HD LYS 35 -10.649 11.080 -6.087 223 HD3 LYS 35 2HD LYS 35 -10.169 11.749 -4.526 224 HE2 LYS 35 1HE LYS 35 -10.870 14.008 -5.446 225 HE3 LYS 35 2HE LYS 35 -11.613 13.125 -6.778 226 HZ1 LYS 35 1HZ LYS 35 -12.747 13.680 -4.341 227 HZ2 LYS 35 2HZ LYS 35 -12.368 12.033 -4.262 228 HZ3 LYS 35 3HZ LYS 35 -13.346 12.617 -5.514 229 H ALA 36 H ALA 36 -8.354 8.433 -4.727 230 HA ALA 36 HA ALA 36 -6.531 6.727 -6.289 231 HB1 ALA 36 1HB ALA 36 -5.709 5.978 -4.358 232 HB2 ALA 36 2HB ALA 36 -6.985 6.755 -3.420 233 HB3 ALA 36 3HB ALA 36 -7.260 5.167 -4.136 234 H HIS 37 H HIS 37 -7.730 5.869 -7.858 235 HA HIS 37 HA HIS 37 -10.247 4.556 -7.121 236 HB2 HIS 37 1HB HIS 37 -11.336 5.390 -9.158 237 HB3 HIS 37 2HB HIS 37 -10.858 6.717 -8.103 238 HD1 HIS 37 1HD HIS 37 -9.672 4.959 -11.247 239 HD2 HIS 37 2HD HIS 37 -9.312 8.612 -9.302 240 HE1 HIS 37 1HE HIS 37 -8.422 6.449 -12.841 241 HE2 HIS 37 2HE HIS 37 -8.141 8.627 -11.608 242 H GLY 38 H GLY 38 -10.608 2.625 -8.113 243 HA2 GLY 38 1HA GLY 38 -9.779 1.680 -10.528 244 HA3 GLY 38 2HA GLY 38 -8.380 1.433 -9.494 245 HA PRO 39 HA PRO 39 -11.425 -2.156 -9.190 246 HB2 PRO 39 1HB PRO 39 -9.788 -4.054 -10.235 247 HB3 PRO 39 2HB PRO 39 -10.883 -3.079 -11.223 248 HG2 PRO 39 1HG PRO 39 -7.948 -2.733 -10.744 249 HG3 PRO 39 2HG PRO 39 -8.859 -2.592 -12.259 250 HD2 PRO 39 1HD PRO 39 -8.082 -0.434 -10.819 251 HD3 PRO 39 2HD PRO 39 -9.579 -0.457 -11.773 252 H GLY 40 H GLY 40 -7.913 -2.009 -8.680 253 HA2 GLY 40 1HA GLY 40 -7.683 -4.079 -6.816 254 HA3 GLY 40 2HA GLY 40 -6.604 -2.696 -6.925 255 H LEU 41 H LEU 41 -9.104 -0.971 -6.470 256 HA LEU 41 HA LEU 41 -8.793 -0.836 -3.607 257 HB2 LEU 41 1HB LEU 41 -10.614 0.753 -5.408 258 HB3 LEU 41 2HB LEU 41 -10.191 1.138 -3.741 259 HG LEU 41 HG LEU 41 -8.229 1.098 -6.032 260 HD11 LEU 41 1HD1 LEU 41 -9.259 3.564 -4.685 261 HD12 LEU 41 2HD1 LEU 41 -10.111 2.861 -6.059 262 HD13 LEU 41 3HD1 LEU 41 -8.441 3.398 -6.239 263 HD21 LEU 41 1HD2 LEU 41 -7.068 0.727 -4.012 264 HD22 LEU 41 2HD2 LEU 41 -8.047 1.908 -3.141 265 HD23 LEU 41 3HD2 LEU 41 -6.890 2.447 -4.358 266 H GLU 42 H GLU 42 -11.537 -1.332 -5.827 267 HA GLU 42 HA GLU 42 -13.435 -1.868 -3.814 268 HB2 GLU 42 1HB GLU 42 -14.915 -2.307 -5.521 269 HB3 GLU 42 2HB GLU 42 -13.714 -1.348 -6.375 270 HG2 GLU 42 1HG GLU 42 -12.669 -3.397 -7.203 271 HG3 GLU 42 2HG GLU 42 -13.886 -4.352 -6.359 272 H GLY 43 H GLY 43 -11.085 -3.871 -5.445 273 HA2 GLY 43 1HA GLY 43 -10.635 -5.813 -3.724 274 HA3 GLY 43 2HA GLY 43 -12.225 -6.305 -4.287 275 H GLY 44 H GLY 44 -10.909 -8.261 -4.864 276 HA2 GLY 44 1HA GLY 44 -10.466 -8.285 -7.673 277 HA3 GLY 44 2HA GLY 44 -8.937 -8.319 -6.809 278 H LEU 45 H LEU 45 -8.288 -10.367 -7.257 279 HA LEU 45 HA LEU 45 -9.947 -12.519 -6.138 280 HB2 LEU 45 1HB LEU 45 -8.414 -12.631 -8.731 281 HB3 LEU 45 2HB LEU 45 -9.246 -13.989 -7.977 282 HG LEU 45 HG LEU 45 -10.745 -11.515 -8.770 283 HD11 LEU 45 1HD1 LEU 45 -9.848 -11.982 -10.839 284 HD12 LEU 45 2HD1 LEU 45 -11.304 -12.977 -10.851 285 HD13 LEU 45 3HD1 LEU 45 -9.736 -13.713 -10.520 286 HD21 LEU 45 1HD2 LEU 45 -11.900 -13.080 -7.337 287 HD22 LEU 45 2HD2 LEU 45 -11.497 -14.415 -8.417 288 HD23 LEU 45 3HD2 LEU 45 -12.591 -13.142 -8.959 289 H VAL 46 H VAL 46 -8.749 -14.425 -5.498 290 HA VAL 46 HA VAL 46 -6.370 -13.794 -4.103 291 HB VAL 46 HB VAL 46 -7.501 -16.526 -4.727 292 HG11 VAL 46 1HG1 VAL 46 -6.271 -16.845 -2.383 293 HG12 VAL 46 2HG1 VAL 46 -5.449 -17.085 -3.927 294 HG13 VAL 46 3HG1 VAL 46 -5.256 -15.567 -3.050 295 HG21 VAL 46 1HG2 VAL 46 -8.825 -16.385 -2.838 296 HG22 VAL 46 2HG2 VAL 46 -7.861 -15.089 -2.130 297 HG23 VAL 46 3HG2 VAL 46 -8.938 -14.748 -3.484 298 H GLY 47 H GLY 47 -4.245 -14.515 -4.417 299 HA2 GLY 47 1HA GLY 47 -2.366 -14.802 -5.714 300 HA3 GLY 47 2HA GLY 47 -3.249 -16.175 -6.365 301 H LYS 48 H LYS 48 -4.600 -13.033 -6.798 302 HA LYS 48 HA LYS 48 -3.705 -13.052 -9.607 303 HB2 LYS 48 1HB LYS 48 -6.393 -12.621 -8.396 304 HB3 LYS 48 2HB LYS 48 -5.978 -11.678 -9.822 305 HG2 LYS 48 1HG LYS 48 -5.261 -14.061 -10.731 306 HG3 LYS 48 2HG LYS 48 -6.451 -14.590 -9.539 307 HD2 LYS 48 1HD LYS 48 -7.826 -14.307 -11.338 308 HD3 LYS 48 2HD LYS 48 -7.890 -12.674 -10.671 309 HE2 LYS 48 1HE LYS 48 -7.470 -12.256 -12.900 310 HE3 LYS 48 2HE LYS 48 -5.843 -12.253 -12.222 311 HZ1 LYS 48 1HZ LYS 48 -5.300 -13.879 -13.598 312 HZ2 LYS 48 2HZ LYS 48 -6.857 -13.871 -14.260 313 HZ3 LYS 48 3HZ LYS 48 -6.501 -14.878 -12.948 314 HA PRO 49 HA PRO 49 -2.086 -9.014 -8.982 315 HB2 PRO 49 1HB PRO 49 -2.297 -8.020 -11.499 316 HB3 PRO 49 2HB PRO 49 -1.100 -9.239 -11.045 317 HG2 PRO 49 1HG PRO 49 -3.739 -9.593 -12.413 318 HG3 PRO 49 2HG PRO 49 -2.180 -10.356 -12.775 319 HD2 PRO 49 1HD PRO 49 -4.134 -11.621 -11.392 320 HD3 PRO 49 2HD PRO 49 -2.409 -11.915 -11.093 321 H ALA 50 H ALA 50 -2.917 -7.191 -8.177 322 HA ALA 50 HA ALA 50 -5.389 -6.106 -9.315 323 HB1 ALA 50 1HB ALA 50 -5.605 -5.690 -6.550 324 HB2 ALA 50 2HB ALA 50 -6.605 -6.729 -7.566 325 HB3 ALA 50 3HB ALA 50 -5.184 -7.390 -6.758 326 H GLU 51 H GLU 51 -5.067 -4.047 -9.814 327 HA GLU 51 HA GLU 51 -3.459 -2.375 -8.023 328 HB2 GLU 51 1HB GLU 51 -2.477 -1.287 -10.108 329 HB3 GLU 51 2HB GLU 51 -1.858 -2.874 -9.678 330 HG2 GLU 51 1HG GLU 51 -3.386 -3.876 -11.343 331 HG3 GLU 51 2HG GLU 51 -3.878 -2.252 -11.819 332 H PHE 52 H PHE 52 -3.626 0.013 -8.844 333 HA PHE 52 HA PHE 52 -6.214 0.616 -10.029 334 HB2 PHE 52 1HB PHE 52 -6.620 2.250 -8.059 335 HB3 PHE 52 2HB PHE 52 -6.989 0.545 -7.826 336 HD1 PHE 52 1HD PHE 52 -5.224 -0.901 -6.685 337 HD2 PHE 52 2HD PHE 52 -5.164 3.355 -6.625 338 HE1 PHE 52 1HE PHE 52 -3.745 -0.953 -4.720 339 HE2 PHE 52 2HE PHE 52 -3.684 3.309 -4.661 340 HZ PHE 52 HZ PHE 52 -2.971 1.154 -3.706 341 H THR 53 H THR 53 -6.476 3.172 -9.908 342 HA THR 53 HA THR 53 -3.933 4.260 -10.909 343 HB THR 53 HB THR 53 -6.685 5.395 -11.411 344 HG1 THR 53 1HG THR 53 -6.260 4.329 -13.552 345 HG21 THR 53 1HG2 THR 53 -4.868 5.892 -13.514 346 HG22 THR 53 2HG2 THR 53 -4.020 6.252 -12.009 347 HG23 THR 53 3HG2 THR 53 -5.549 7.051 -12.373 348 H ILE 54 H ILE 54 -2.943 5.831 -9.823 349 HA ILE 54 HA ILE 54 -4.459 7.236 -7.722 350 HB ILE 54 HB ILE 54 -1.503 6.626 -7.837 351 HG12 ILE 54 1HG1 ILE 54 -3.610 5.662 -5.892 352 HG13 ILE 54 2HG1 ILE 54 -3.028 4.723 -7.263 353 HG21 ILE 54 1HG2 ILE 54 -1.608 7.549 -5.455 354 HG22 ILE 54 2HG2 ILE 54 -1.651 8.709 -6.781 355 HG23 ILE 54 3HG2 ILE 54 -3.139 8.278 -5.939 356 HD11 ILE 54 1HD1 ILE 54 -1.350 3.967 -6.047 357 HD12 ILE 54 2HD1 ILE 54 -0.789 5.613 -5.753 358 HD13 ILE 54 3HD1 ILE 54 -1.961 4.872 -4.662 359 H ASP 55 H ASP 55 -4.639 9.381 -7.846 360 HA ASP 55 HA ASP 55 -3.264 10.761 -10.022 361 HB2 ASP 55 1HB ASP 55 -5.390 11.925 -8.230 362 HB3 ASP 55 2HB ASP 55 -4.917 12.452 -9.842 363 H THR 56 H THR 56 -1.464 11.847 -9.634 364 HA THR 56 HA THR 56 -1.077 13.028 -6.960 365 HB THR 56 HB THR 56 1.394 12.735 -7.366 366 HG1 THR 56 1HG THR 56 1.450 12.338 -9.565 367 HG21 THR 56 1HG2 THR 56 1.077 10.060 -7.178 368 HG22 THR 56 2HG2 THR 56 -0.563 10.596 -6.816 369 HG23 THR 56 3HG2 THR 56 0.789 11.175 -5.843 370 H LYS 57 H LYS 57 -0.880 13.418 -10.400 371 HA LYS 57 HA LYS 57 0.731 15.559 -10.816 372 HB2 LYS 57 1HB LYS 57 -2.029 15.108 -11.963 373 HB3 LYS 57 2HB LYS 57 -0.877 16.279 -12.592 374 HG2 LYS 57 1HG LYS 57 0.550 14.637 -13.396 375 HG3 LYS 57 2HG LYS 57 -0.133 13.393 -12.346 376 HD2 LYS 57 1HD LYS 57 -1.737 14.714 -14.518 377 HD3 LYS 57 2HD LYS 57 -0.739 13.289 -14.821 378 HE2 LYS 57 1HE LYS 57 -1.989 12.019 -13.193 379 HE3 LYS 57 2HE LYS 57 -2.915 13.448 -12.738 380 HZ1 LYS 57 1HZ LYS 57 -4.379 12.650 -14.212 381 HZ2 LYS 57 2HZ LYS 57 -3.240 11.683 -15.004 382 HZ3 LYS 57 3HZ LYS 57 -3.358 13.329 -15.378 383 H GLY 58 H GLY 58 -2.624 15.722 -9.641 384 HA2 GLY 58 1HA GLY 58 -2.346 18.585 -9.161 385 HA3 GLY 58 2HA GLY 58 -3.812 17.634 -8.971 386 H ALA 59 H ALA 59 -0.716 16.750 -7.579 387 HA ALA 59 HA ALA 59 -1.798 17.389 -4.912 388 HB1 ALA 59 1HB ALA 59 -1.450 14.869 -5.816 389 HB2 ALA 59 2HB ALA 59 0.126 15.168 -5.080 390 HB3 ALA 59 3HB ALA 59 -1.343 15.332 -4.117 391 H GLY 60 H GLY 60 1.251 16.607 -6.603 392 HA2 GLY 60 1HA GLY 60 2.775 18.719 -6.416 393 HA3 GLY 60 2HA GLY 60 2.682 18.328 -4.705 394 H THR 61 H THR 61 4.794 17.804 -4.364 395 HA THR 61 HA THR 61 5.711 15.328 -5.648 396 HB THR 61 HB THR 61 7.519 17.705 -5.179 397 HG1 THR 61 1HG THR 61 6.946 18.348 -7.105 398 HG21 THR 61 1HG2 THR 61 8.415 15.689 -7.054 399 HG22 THR 61 2HG2 THR 61 8.106 14.996 -5.462 400 HG23 THR 61 3HG2 THR 61 9.230 16.344 -5.634 401 H GLY 62 H GLY 62 6.804 13.930 -4.330 402 HA2 GLY 62 1HA GLY 62 8.217 14.433 -2.033 403 HA3 GLY 62 2HA GLY 62 6.543 14.334 -1.506 404 H GLY 63 H GLY 63 5.927 12.399 -0.824 405 HA2 GLY 63 1HA GLY 63 6.747 10.010 -2.257 406 HA3 GLY 63 2HA GLY 63 7.345 10.135 -0.609 407 H LEU 64 H LEU 64 5.570 8.132 -1.691 408 HA LEU 64 HA LEU 64 3.242 8.616 0.045 409 HB2 LEU 64 1HB LEU 64 2.553 8.775 -2.281 410 HB3 LEU 64 2HB LEU 64 3.275 7.203 -2.618 411 HG LEU 64 HG LEU 64 1.564 6.420 -0.755 412 HD11 LEU 64 1HD1 LEU 64 0.818 9.139 -1.211 413 HD12 LEU 64 2HD1 LEU 64 0.110 7.960 -0.108 414 HD13 LEU 64 3HD1 LEU 64 -0.475 8.076 -1.767 415 HD21 LEU 64 1HD2 LEU 64 1.761 5.828 -3.239 416 HD22 LEU 64 2HD2 LEU 64 0.497 7.032 -3.493 417 HD23 LEU 64 3HD2 LEU 64 0.187 5.629 -2.469 418 H GLY 65 H GLY 65 2.842 7.079 1.519 419 HA2 GLY 65 1HA GLY 65 4.494 4.644 1.402 420 HA3 GLY 65 2HA GLY 65 3.817 5.344 2.865 421 H LEU 66 H LEU 66 3.453 2.978 0.514 422 HA LEU 66 HA LEU 66 0.607 2.602 1.145 423 HB2 LEU 66 1HB LEU 66 1.544 2.734 -1.270 424 HB3 LEU 66 2HB LEU 66 2.083 1.084 -0.970 425 HG LEU 66 HG LEU 66 -0.386 0.622 -0.376 426 HD11 LEU 66 1HD1 LEU 66 -1.623 2.326 -2.122 427 HD12 LEU 66 2HD1 LEU 66 -0.490 3.391 -1.290 428 HD13 LEU 66 3HD1 LEU 66 -1.662 2.455 -0.363 429 HD21 LEU 66 1HD2 LEU 66 0.420 -0.446 -2.265 430 HD22 LEU 66 2HD2 LEU 66 0.761 1.068 -3.104 431 HD23 LEU 66 3HD2 LEU 66 -0.906 0.521 -2.912 432 H THR 67 H THR 67 0.041 1.037 2.497 433 HA THR 67 HA THR 67 1.761 -1.325 2.767 434 HB THR 67 HB THR 67 1.334 -1.257 5.266 435 HG1 THR 67 1HG THR 67 -0.223 0.285 5.494 436 HG21 THR 67 1HG2 THR 67 2.947 1.107 4.996 437 HG22 THR 67 2HG2 THR 67 3.321 -0.031 3.701 438 HG23 THR 67 3HG2 THR 67 3.441 -0.540 5.384 439 H VAL 68 H VAL 68 0.661 -3.190 2.842 440 HA VAL 68 HA VAL 68 -2.244 -3.076 2.750 441 HB VAL 68 HB VAL 68 -0.291 -5.324 2.268 442 HG11 VAL 68 1HG1 VAL 68 -2.581 -6.340 1.350 443 HG12 VAL 68 2HG1 VAL 68 -2.016 -6.606 3.001 444 HG13 VAL 68 3HG1 VAL 68 -3.224 -5.364 2.671 445 HG21 VAL 68 1HG2 VAL 68 -0.401 -4.776 0.108 446 HG22 VAL 68 2HG2 VAL 68 -2.158 -4.627 0.155 447 HG23 VAL 68 3HG2 VAL 68 -1.145 -3.265 0.632 448 H GLU 69 H GLU 69 -3.079 -2.854 4.761 449 HA GLU 69 HA GLU 69 -2.029 -4.391 6.983 450 HB2 GLU 69 1HB GLU 69 -4.108 -2.256 6.677 451 HB3 GLU 69 2HB GLU 69 -4.085 -3.245 8.131 452 HG2 GLU 69 1HG GLU 69 -1.657 -1.779 7.155 453 HG3 GLU 69 2HG GLU 69 -2.853 -1.032 8.213 454 H GLY 70 H GLY 70 -2.612 -6.398 5.647 455 HA2 GLY 70 1HA GLY 70 -5.427 -7.146 6.126 456 HA3 GLY 70 2HA GLY 70 -4.400 -7.860 4.892 457 HA PRO 71 HA PRO 71 -4.473 -10.497 8.790 458 HB2 PRO 71 1HB PRO 71 -5.570 -12.702 7.648 459 HB3 PRO 71 2HB PRO 71 -6.538 -11.413 8.374 460 HG2 PRO 71 1HG PRO 71 -5.888 -11.899 5.493 461 HG3 PRO 71 2HG PRO 71 -7.432 -11.431 6.228 462 HD2 PRO 71 1HD PRO 71 -5.801 -9.648 5.007 463 HD3 PRO 71 2HD PRO 71 -6.829 -9.212 6.388 464 H CYS 72 H CYS 72 -3.416 -10.811 5.504 465 HA CYS 72 HA CYS 72 -1.337 -12.710 6.371 466 HB2 CYS 72 1HB CYS 72 -1.332 -13.129 3.731 467 HB3 CYS 72 2HB CYS 72 -2.382 -14.023 4.823 468 HG CYS 72 HG CYS 72 -3.180 -12.033 2.319 469 H GLU 73 H GLU 73 0.460 -12.625 4.447 470 HA GLU 73 HA GLU 73 1.300 -9.806 4.385 471 HB2 GLU 73 1HB GLU 73 2.845 -11.138 5.639 472 HB3 GLU 73 2HB GLU 73 2.900 -12.365 4.381 473 HG2 GLU 73 1HG GLU 73 3.998 -10.784 2.881 474 HG3 GLU 73 2HG GLU 73 3.941 -9.551 4.139 475 H ALA 74 H ALA 74 0.202 -9.278 2.468 476 HA ALA 74 HA ALA 74 0.827 -10.754 0.043 477 HB1 ALA 74 1HB ALA 74 -0.654 -8.250 -0.249 478 HB2 ALA 74 2HB ALA 74 -1.049 -9.876 -0.807 479 HB3 ALA 74 3HB ALA 74 -1.402 -9.404 0.855 480 H LYS 75 H LYS 75 2.071 -10.025 -1.629 481 HA LYS 75 HA LYS 75 4.080 -8.089 -1.019 482 HB2 LYS 75 1HB LYS 75 4.119 -10.230 -2.579 483 HB3 LYS 75 2HB LYS 75 3.645 -9.064 -3.807 484 HG2 LYS 75 1HG LYS 75 5.960 -8.391 -2.079 485 HG3 LYS 75 2HG LYS 75 6.176 -9.632 -3.315 486 HD2 LYS 75 1HD LYS 75 5.202 -7.981 -4.962 487 HD3 LYS 75 2HD LYS 75 5.344 -6.762 -3.693 488 HE2 LYS 75 1HE LYS 75 7.696 -8.436 -4.501 489 HE3 LYS 75 2HE LYS 75 7.252 -6.997 -5.417 490 HZ1 LYS 75 1HZ LYS 75 7.725 -6.968 -2.491 491 HZ2 LYS 75 2HZ LYS 75 7.587 -5.640 -3.529 492 HZ3 LYS 75 3HZ LYS 75 8.940 -6.651 -3.625 493 H ILE 76 H ILE 76 4.505 -6.122 -2.093 494 HA ILE 76 HA ILE 76 2.226 -4.966 -3.553 495 HB ILE 76 HB ILE 76 3.875 -3.496 -1.495 496 HG12 ILE 76 1HG1 ILE 76 0.973 -4.306 -1.291 497 HG13 ILE 76 2HG1 ILE 76 2.284 -5.254 -0.597 498 HG21 ILE 76 1HG2 ILE 76 2.108 -2.635 -3.601 499 HG22 ILE 76 2HG2 ILE 76 1.501 -2.133 -2.024 500 HG23 ILE 76 3HG2 ILE 76 3.128 -1.676 -2.529 501 HD11 ILE 76 1HD1 ILE 76 1.819 -2.370 0.089 502 HD12 ILE 76 2HD1 ILE 76 1.085 -3.708 0.975 503 HD13 ILE 76 3HD1 ILE 76 2.840 -3.540 0.925 504 H GLU 77 H GLU 77 2.893 -4.539 -5.547 505 HA GLU 77 HA GLU 77 5.678 -3.718 -5.977 506 HB2 GLU 77 1HB GLU 77 3.624 -5.055 -7.692 507 HB3 GLU 77 2HB GLU 77 4.908 -4.132 -8.458 508 HG2 GLU 77 1HG GLU 77 5.654 -6.139 -6.401 509 HG3 GLU 77 2HG GLU 77 5.144 -6.709 -7.989 510 H CYS 78 H CYS 78 5.792 -1.557 -5.749 511 HA CYS 78 HA CYS 78 3.783 0.097 -7.116 512 HB2 CYS 78 1HB CYS 78 4.597 1.940 -5.680 513 HB3 CYS 78 2HB CYS 78 3.995 0.578 -4.742 514 HG CYS 78 HG CYS 78 7.128 1.804 -4.972 515 H SER 79 H SER 79 4.346 0.886 -9.022 516 HA SER 79 HA SER 79 7.115 1.762 -9.440 517 HB2 SER 79 1HB SER 79 7.115 -0.355 -10.524 518 HB3 SER 79 2HB SER 79 5.522 -0.076 -11.229 519 HG SER 79 HG SER 79 7.664 0.294 -12.482 520 H ASP 80 H ASP 80 7.373 3.496 -10.844 521 HA ASP 80 HA ASP 80 5.093 5.212 -11.094 522 HB2 ASP 80 1HB ASP 80 6.774 6.717 -12.281 523 HB3 ASP 80 2HB ASP 80 7.139 6.300 -10.608 524 H ASN 81 H ASN 81 4.201 6.054 -13.017 525 HA ASN 81 HA ASN 81 4.335 4.176 -15.259 526 HB2 ASN 81 1HB ASN 81 2.323 6.330 -14.578 527 HB3 ASN 81 2HB ASN 81 2.242 5.312 -16.013 528 HD21 ASN 81 1HD2 ASN 81 1.036 5.697 -13.025 529 HD22 ASN 81 2HD2 ASN 81 0.594 4.067 -12.660 530 H GLY 82 H GLY 82 4.610 7.626 -14.521 531 HA2 GLY 82 1HA GLY 82 6.382 8.850 -15.695 532 HA3 GLY 82 2HA GLY 82 5.920 7.974 -17.147 533 H ASP 83 H ASP 83 3.029 8.314 -16.421 534 HA ASP 83 HA ASP 83 2.728 10.936 -17.646 535 HB2 ASP 83 1HB ASP 83 1.492 8.817 -18.397 536 HB3 ASP 83 2HB ASP 83 0.497 9.030 -16.959 537 H GLY 84 H GLY 84 3.396 10.338 -14.702 538 HA2 GLY 84 1HA GLY 84 3.078 11.719 -12.847 539 HA3 GLY 84 2HA GLY 84 1.682 12.429 -13.644 540 H THR 85 H THR 85 1.921 8.985 -13.465 541 HA THR 85 HA THR 85 -0.003 8.954 -11.235 542 HB THR 85 HB THR 85 -1.081 6.971 -12.403 543 HG1 THR 85 1HG THR 85 -0.738 7.330 -14.839 544 HG21 THR 85 1HG2 THR 85 -1.265 9.694 -13.697 545 HG22 THR 85 2HG2 THR 85 -2.187 9.131 -12.302 546 HG23 THR 85 3HG2 THR 85 -2.447 8.400 -13.886 547 H CYS 86 H CYS 86 -0.244 6.697 -10.308 548 HA CYS 86 HA CYS 86 2.369 5.334 -10.307 549 HB2 CYS 86 1HB CYS 86 0.474 5.704 -7.977 550 HB3 CYS 86 2HB CYS 86 1.982 4.800 -7.931 551 HG CYS 86 HG CYS 86 3.634 6.975 -8.247 552 H SER 87 H SER 87 2.354 3.232 -10.776 553 HA SER 87 HA SER 87 -0.252 1.879 -10.939 554 HB2 SER 87 1HB SER 87 1.141 0.243 -12.403 555 HB3 SER 87 2HB SER 87 0.688 1.806 -13.080 556 HG SER 87 HG SER 87 2.785 1.823 -13.466 557 H VAL 88 H VAL 88 -0.272 1.347 -8.698 558 HA VAL 88 HA VAL 88 1.795 -0.491 -7.754 559 HB VAL 88 HB VAL 88 -0.541 0.735 -6.281 560 HG11 VAL 88 1HG1 VAL 88 -0.186 -0.762 -4.683 561 HG12 VAL 88 2HG1 VAL 88 1.104 -1.501 -5.634 562 HG13 VAL 88 3HG1 VAL 88 1.471 -0.181 -4.523 563 HG21 VAL 88 1HG2 VAL 88 1.428 1.905 -5.091 564 HG22 VAL 88 2HG2 VAL 88 2.355 1.465 -6.525 565 HG23 VAL 88 3HG2 VAL 88 0.930 2.493 -6.677 566 H SER 89 H SER 89 1.530 -2.622 -7.757 567 HA SER 89 HA SER 89 -1.207 -3.699 -7.942 568 HB2 SER 89 1HB SER 89 -0.206 -5.573 -9.298 569 HB3 SER 89 2HB SER 89 -0.191 -4.002 -10.099 570 HG SER 89 HG SER 89 1.819 -5.092 -10.280 571 H TYR 90 H TYR 90 -1.739 -5.238 -6.514 572 HA TYR 90 HA TYR 90 0.421 -6.389 -4.871 573 HB2 TYR 90 1HB TYR 90 -1.064 -6.366 -2.963 574 HB3 TYR 90 2HB TYR 90 -0.995 -4.746 -3.648 575 HD1 TYR 90 1HD TYR 90 -2.929 -3.780 -4.762 576 HD2 TYR 90 2HD TYR 90 -3.095 -7.691 -3.094 577 HE1 TYR 90 1HE TYR 90 -5.383 -3.741 -4.929 578 HE2 TYR 90 2HE TYR 90 -5.549 -7.663 -3.258 579 HH TYR 90 HH TYR 90 -7.339 -5.023 -3.592 580 H LEU 91 H LEU 91 0.080 -8.528 -4.062 581 HA LEU 91 HA LEU 91 -1.943 -10.077 -5.536 582 HB2 LEU 91 1HB LEU 91 0.989 -10.457 -5.363 583 HB3 LEU 91 2HB LEU 91 -0.012 -11.906 -5.293 584 HG LEU 91 HG LEU 91 -0.464 -9.965 -7.509 585 HD11 LEU 91 1HD1 LEU 91 1.491 -12.049 -8.116 586 HD12 LEU 91 2HD1 LEU 91 2.090 -10.801 -7.024 587 HD13 LEU 91 3HD1 LEU 91 1.445 -10.354 -8.603 588 HD21 LEU 91 1HD2 LEU 91 -1.547 -11.683 -8.470 589 HD22 LEU 91 2HD2 LEU 91 -1.592 -12.337 -6.832 590 HD23 LEU 91 3HD2 LEU 91 -0.341 -12.865 -7.959 591 HA PRO 92 HA PRO 92 -2.753 -11.076 -1.208 592 HB2 PRO 92 1HB PRO 92 -5.218 -12.109 -1.686 593 HB3 PRO 92 2HB PRO 92 -4.912 -10.373 -1.559 594 HG2 PRO 92 1HG PRO 92 -5.206 -12.070 -4.008 595 HG3 PRO 92 2HG PRO 92 -5.874 -10.461 -3.674 596 HD2 PRO 92 1HD PRO 92 -3.665 -10.835 -5.196 597 HD3 PRO 92 2HD PRO 92 -3.894 -9.396 -4.182 598 H THR 93 H THR 93 -3.558 -13.145 -0.163 599 HA THR 93 HA THR 93 -2.622 -15.486 -1.693 600 HB THR 93 HB THR 93 -0.992 -14.912 0.035 601 HG1 THR 93 1HG THR 93 -2.395 -17.182 0.986 602 HG21 THR 93 1HG2 THR 93 -3.322 -14.366 1.579 603 HG22 THR 93 2HG2 THR 93 -1.632 -14.085 2.001 604 HG23 THR 93 3HG2 THR 93 -2.396 -15.623 2.398 605 H LYS 94 H LYS 94 -4.942 -14.170 0.553 606 HA LYS 94 HA LYS 94 -6.674 -16.473 0.063 607 HB2 LYS 94 1HB LYS 94 -6.125 -15.383 2.830 608 HB3 LYS 94 2HB LYS 94 -7.284 -16.644 2.431 609 HG2 LYS 94 1HG LYS 94 -5.645 -18.215 2.037 610 HG3 LYS 94 2HG LYS 94 -4.409 -16.997 1.713 611 HD2 LYS 94 1HD LYS 94 -4.414 -16.377 4.088 612 HD3 LYS 94 2HD LYS 94 -5.632 -17.615 4.403 613 HE2 LYS 94 1HE LYS 94 -4.096 -19.353 3.734 614 HE3 LYS 94 2HE LYS 94 -2.893 -18.154 3.260 615 HZ1 LYS 94 1HZ LYS 94 -2.873 -19.346 5.613 616 HZ2 LYS 94 2HZ LYS 94 -3.859 -18.029 6.006 617 HZ3 LYS 94 3HZ LYS 94 -2.304 -17.768 5.392 618 HA PRO 95 HA PRO 95 -9.747 -13.371 -0.455 619 HB2 PRO 95 1HB PRO 95 -11.975 -14.837 0.052 620 HB3 PRO 95 2HB PRO 95 -11.031 -15.006 -1.433 621 HG2 PRO 95 1HG PRO 95 -10.995 -16.696 1.038 622 HG3 PRO 95 2HG PRO 95 -10.971 -17.199 -0.662 623 HD2 PRO 95 1HD PRO 95 -8.736 -17.118 0.863 624 HD3 PRO 95 2HD PRO 95 -8.713 -16.795 -0.882 625 H GLY 96 H GLY 96 -9.595 -11.846 1.136 626 HA2 GLY 96 1HA GLY 96 -11.358 -12.197 3.431 627 HA3 GLY 96 2HA GLY 96 -9.663 -11.901 3.790 628 H GLU 97 H GLU 97 -9.210 -9.858 4.225 629 HA GLU 97 HA GLU 97 -10.473 -7.741 2.656 630 HB2 GLU 97 1HB GLU 97 -10.607 -8.000 5.653 631 HB3 GLU 97 2HB GLU 97 -10.762 -6.442 4.853 632 HG2 GLU 97 1HG GLU 97 -12.790 -6.972 3.908 633 HG3 GLU 97 2HG GLU 97 -12.496 -8.708 3.995 634 H TYR 98 H TYR 98 -9.016 -6.301 2.011 635 HA TYR 98 HA TYR 98 -6.506 -6.071 3.541 636 HB2 TYR 98 1HB TYR 98 -6.869 -5.845 0.546 637 HB3 TYR 98 2HB TYR 98 -5.353 -5.634 1.414 638 HD1 TYR 98 1HD TYR 98 -7.848 -8.060 0.262 639 HD2 TYR 98 2HD TYR 98 -4.147 -7.542 2.296 640 HE1 TYR 98 1HE TYR 98 -7.408 -10.472 0.064 641 HE2 TYR 98 2HE TYR 98 -3.696 -9.951 2.102 642 HH TYR 98 HH TYR 98 -5.584 -12.153 1.754 643 H PHE 99 H PHE 99 -6.161 -4.130 4.373 644 HA PHE 99 HA PHE 99 -7.670 -1.848 3.324 645 HB2 PHE 99 1HB PHE 99 -6.223 -2.259 5.946 646 HB3 PHE 99 2HB PHE 99 -6.992 -0.747 5.474 647 HD1 PHE 99 2HD PHE 99 -7.870 -4.375 5.607 648 HD2 PHE 99 1HD PHE 99 -9.065 -0.359 6.354 649 HE1 PHE 99 2HE PHE 99 -10.007 -5.184 6.518 650 HE2 PHE 99 1HE PHE 99 -11.205 -1.162 7.267 651 HZ PHE 99 HZ PHE 99 -11.678 -3.577 7.348 652 H VAL 100 H VAL 100 -6.544 -0.967 1.678 653 HA VAL 100 HA VAL 100 -3.685 -0.781 1.669 654 HB VAL 100 HB VAL 100 -5.669 0.625 -0.124 655 HG11 VAL 100 1HG1 VAL 100 -3.642 0.508 -1.699 656 HG12 VAL 100 2HG1 VAL 100 -3.628 1.718 -0.414 657 HG13 VAL 100 3HG1 VAL 100 -2.698 0.229 -0.235 658 HG21 VAL 100 1HG2 VAL 100 -5.939 -1.254 -1.309 659 HG22 VAL 100 2HG2 VAL 100 -4.229 -1.674 -1.201 660 HG23 VAL 100 3HG2 VAL 100 -5.323 -2.087 0.119 661 H ASN 101 H ASN 101 -2.795 0.499 3.187 662 HA ASN 101 HA ASN 101 -3.988 3.001 3.967 663 HB2 ASN 101 1HB ASN 101 -1.333 1.741 4.688 664 HB3 ASN 101 2HB ASN 101 -1.965 3.219 5.406 665 HD21 ASN 101 1HD2 ASN 101 -2.677 -0.200 4.917 666 HD22 ASN 101 2HD2 ASN 101 -3.581 -0.404 6.374 667 H ILE 102 H ILE 102 -3.928 4.605 2.515 668 HA ILE 102 HA ILE 102 -1.430 5.081 1.041 669 HB ILE 102 HB ILE 102 -4.158 6.241 0.472 670 HG12 ILE 102 1HG1 ILE 102 -2.790 4.072 -1.108 671 HG13 ILE 102 2HG1 ILE 102 -3.875 3.696 0.226 672 HG21 ILE 102 1HG2 ILE 102 -3.236 7.397 -1.215 673 HG22 ILE 102 2HG2 ILE 102 -1.731 7.168 -0.327 674 HG23 ILE 102 3HG2 ILE 102 -2.146 6.082 -1.653 675 HD11 ILE 102 1HD1 ILE 102 -5.404 5.404 -1.198 676 HD12 ILE 102 2HD1 ILE 102 -4.466 4.642 -2.483 677 HD13 ILE 102 3HD1 ILE 102 -5.426 3.651 -1.384 678 H LEU 103 H LEU 103 -0.145 6.505 2.011 679 HA LEU 103 HA LEU 103 -1.340 8.989 3.030 680 HB2 LEU 103 1HB LEU 103 0.721 8.806 4.692 681 HB3 LEU 103 2HB LEU 103 -0.863 8.130 5.066 682 HG LEU 103 HG LEU 103 0.225 5.981 3.930 683 HD11 LEU 103 1HD1 LEU 103 2.337 7.082 3.406 684 HD12 LEU 103 2HD1 LEU 103 2.571 5.774 4.565 685 HD13 LEU 103 3HD1 LEU 103 2.577 7.450 5.115 686 HD21 LEU 103 1HD2 LEU 103 -0.316 5.311 5.975 687 HD22 LEU 103 2HD2 LEU 103 -0.167 6.951 6.606 688 HD23 LEU 103 3HD2 LEU 103 1.249 5.901 6.535 689 H PHE 104 H PHE 104 -0.390 10.791 2.310 690 HA PHE 104 HA PHE 104 2.060 10.505 0.727 691 HB2 PHE 104 1HB PHE 104 -0.122 11.574 -0.170 692 HB3 PHE 104 2HB PHE 104 0.339 12.969 0.801 693 HD1 PHE 104 1HD PHE 104 2.146 10.611 -1.464 694 HD2 PHE 104 2HD PHE 104 1.252 14.648 -0.453 695 HE1 PHE 104 1HE PHE 104 3.609 11.387 -3.284 696 HE2 PHE 104 2HE PHE 104 2.712 15.430 -2.272 697 HZ PHE 104 HZ PHE 104 3.892 13.799 -3.691 698 H GLU 105 H GLU 105 3.884 10.933 1.772 699 HA GLU 105 HA GLU 105 5.436 11.938 3.096 700 HB2 GLU 105 1HB GLU 105 3.525 14.239 2.713 701 HB3 GLU 105 2HB GLU 105 5.021 14.398 3.622 702 HG2 GLU 105 1HG GLU 105 6.037 13.350 1.413 703 HG3 GLU 105 2HG GLU 105 4.592 14.075 0.710 704 H GLU 106 H GLU 106 3.616 10.299 4.386 705 HA GLU 106 HA GLU 106 3.094 9.692 6.524 706 HB2 GLU 106 1HB GLU 106 4.075 12.376 7.476 707 HB3 GLU 106 2HB GLU 106 3.984 10.870 8.378 708 HG2 GLU 106 1HG GLU 106 5.677 10.002 6.625 709 HG3 GLU 106 2HG GLU 106 5.962 11.713 6.307 710 H VAL 107 H VAL 107 1.349 11.263 4.717 711 HA VAL 107 HA VAL 107 -0.542 12.237 6.755 712 HB VAL 107 HB VAL 107 -0.359 13.393 3.978 713 HG11 VAL 107 1HG1 VAL 107 -1.428 15.044 6.115 714 HG12 VAL 107 2HG1 VAL 107 -2.122 14.638 4.545 715 HG13 VAL 107 3HG1 VAL 107 -2.327 13.541 5.911 716 HG21 VAL 107 1HG2 VAL 107 0.642 14.875 6.362 717 HG22 VAL 107 2HG2 VAL 107 1.696 13.691 5.588 718 HG23 VAL 107 3HG2 VAL 107 1.071 15.055 4.661 719 H HIS 108 H HIS 108 -2.187 10.863 6.840 720 HA HIS 108 HA HIS 108 -2.835 9.016 4.805 721 HB2 HIS 108 1HB HIS 108 -4.025 9.839 7.402 722 HB3 HIS 108 2HB HIS 108 -5.081 9.001 6.269 723 HD1 HIS 108 1HD HIS 108 -4.965 6.522 6.312 724 HD2 HIS 108 2HD HIS 108 -1.593 8.271 7.995 725 HE1 HIS 108 1HE HIS 108 -3.611 4.617 7.240 726 HE2 HIS 108 2HE HIS 108 -1.618 5.706 8.328 727 H ILE 109 H ILE 109 -3.876 9.342 2.963 728 HA ILE 109 HA ILE 109 -5.083 11.824 2.304 729 HB ILE 109 HB ILE 109 -5.693 10.806 0.195 730 HG12 ILE 109 1HG1 ILE 109 -4.606 8.151 1.023 731 HG13 ILE 109 2HG1 ILE 109 -6.252 8.561 1.489 732 HG21 ILE 109 1HG2 ILE 109 -3.395 11.486 0.415 733 HG22 ILE 109 2HG2 ILE 109 -2.973 9.950 1.169 734 HG23 ILE 109 3HG2 ILE 109 -3.464 9.995 -0.524 735 HD11 ILE 109 1HD1 ILE 109 -6.045 7.269 -0.630 736 HD12 ILE 109 2HD1 ILE 109 -6.913 8.798 -0.782 737 HD13 ILE 109 3HD1 ILE 109 -5.244 8.671 -1.340 738 HA PRO 110 HA PRO 110 -9.233 11.295 3.643 739 HB2 PRO 110 1HB PRO 110 -10.556 12.720 1.748 740 HB3 PRO 110 2HB PRO 110 -9.578 13.477 3.011 741 HG2 PRO 110 1HG PRO 110 -8.873 12.901 0.160 742 HG3 PRO 110 2HG PRO 110 -8.549 14.356 1.120 743 HD2 PRO 110 1HD PRO 110 -6.668 12.461 0.666 744 HD3 PRO 110 2HD PRO 110 -6.723 13.412 2.164 745 H GLY 111 H GLY 111 -9.191 8.965 3.143 746 HA2 GLY 111 1HA GLY 111 -11.354 7.951 1.934 747 HA3 GLY 111 2HA GLY 111 -10.264 8.149 0.570 748 H SER 112 H SER 112 -8.081 7.609 2.759 749 HA SER 112 HA SER 112 -8.156 4.700 2.378 750 HB2 SER 112 1HB SER 112 -5.858 4.707 2.293 751 HB3 SER 112 2HB SER 112 -6.169 6.341 1.708 752 HG SER 112 HG SER 112 -5.366 5.518 4.291 753 HA PRO 113 HA PRO 113 -6.553 3.125 3.228 754 HB2 PRO 113 1HB PRO 113 -7.448 0.786 4.276 755 HB3 PRO 113 2HB PRO 113 -6.022 1.630 4.890 756 HG2 PRO 113 1HG PRO 113 -8.820 1.618 5.954 757 HG3 PRO 113 2HG PRO 113 -7.287 1.502 6.837 758 HD2 PRO 113 1HD PRO 113 -8.693 3.809 6.657 759 HD3 PRO 113 2HD PRO 113 -6.920 3.776 6.752 760 H PHE 114 H PHE 114 -7.486 1.342 1.838 761 HA PHE 114 HA PHE 114 -10.331 1.884 1.292 762 HB2 PHE 114 1HB PHE 114 -8.018 1.431 -0.579 763 HB3 PHE 114 2HB PHE 114 -9.679 1.173 -1.101 764 HD1 PHE 114 1HD PHE 114 -7.396 3.720 0.332 765 HD2 PHE 114 2HD PHE 114 -10.992 2.959 -1.816 766 HE1 PHE 114 1HE PHE 114 -7.611 6.122 -0.153 767 HE2 PHE 114 2HE PHE 114 -11.212 5.360 -2.305 768 HZ PHE 114 HZ PHE 114 -9.520 6.945 -1.474 769 H LYS 115 H LYS 115 -11.252 0.185 2.356 770 HA LYS 115 HA LYS 115 -10.298 -2.421 2.527 771 HB2 LYS 115 1HB LYS 115 -12.271 -1.282 3.753 772 HB3 LYS 115 2HB LYS 115 -13.237 -1.801 2.378 773 HG2 LYS 115 1HG LYS 115 -12.132 -4.133 2.929 774 HG3 LYS 115 2HG LYS 115 -11.976 -3.408 4.530 775 HD2 LYS 115 1HD LYS 115 -14.571 -3.442 3.007 776 HD3 LYS 115 2HD LYS 115 -14.088 -4.745 4.095 777 HE2 LYS 115 1HE LYS 115 -13.762 -2.903 5.845 778 HE3 LYS 115 2HE LYS 115 -14.677 -1.872 4.746 779 HZ1 LYS 115 1HZ LYS 115 -16.363 -3.816 4.816 780 HZ2 LYS 115 2HZ LYS 115 -16.312 -2.715 6.100 781 HZ3 LYS 115 3HZ LYS 115 -15.577 -4.231 6.256 782 H ALA 116 H ALA 116 -9.934 -3.877 1.001 783 HA ALA 116 HA ALA 116 -11.573 -3.793 -1.449 784 HB1 ALA 116 1HB ALA 116 -9.660 -3.686 -2.567 785 HB2 ALA 116 2HB ALA 116 -8.731 -3.862 -1.077 786 HB3 ALA 116 3HB ALA 116 -9.258 -5.293 -1.963 787 H ASP 117 H ASP 117 -13.005 -5.383 -1.548 788 HA ASP 117 HA ASP 117 -12.696 -7.777 0.040 789 HB2 ASP 117 1HB ASP 117 -14.911 -7.090 0.033 790 HB3 ASP 117 2HB ASP 117 -14.867 -6.619 -1.664 791 H ILE 118 H ILE 118 -11.524 -9.431 -0.649 792 HA ILE 118 HA ILE 118 -11.151 -9.844 -3.521 793 HB ILE 118 HB ILE 118 -9.747 -11.110 -1.165 794 HG12 ILE 118 1HG1 ILE 118 -9.156 -8.769 -1.434 795 HG13 ILE 118 2HG1 ILE 118 -7.811 -9.775 -1.958 796 HG21 ILE 118 1HG2 ILE 118 -8.140 -11.653 -3.225 797 HG22 ILE 118 2HG2 ILE 118 -9.420 -12.745 -2.700 798 HG23 ILE 118 3HG2 ILE 118 -9.688 -11.667 -4.070 799 HD11 ILE 118 1HD1 ILE 118 -9.276 -9.371 -4.264 800 HD12 ILE 118 2HD1 ILE 118 -9.343 -7.819 -3.429 801 HD13 ILE 118 3HD1 ILE 118 -7.783 -8.553 -3.804 802 H GLU 119 H GLU 119 -11.859 -11.611 -4.603 803 HA GLU 119 HA GLU 119 -13.408 -13.587 -3.059 804 HB2 GLU 119 1HB GLU 119 -13.889 -12.617 -5.883 805 HB3 GLU 119 2HB GLU 119 -14.819 -13.864 -5.064 806 HG2 GLU 119 1HG GLU 119 -15.319 -12.082 -3.304 807 HG3 GLU 119 2HG GLU 119 -14.720 -10.926 -4.493 808 H MET 120 H MET 120 -13.627 -15.724 -4.195 809 HA MET 120 HA MET 120 -11.008 -16.682 -4.869 810 HB2 MET 120 1HB MET 120 -13.708 -17.973 -4.589 811 HB3 MET 120 2HB MET 120 -12.337 -18.871 -5.226 812 HG2 MET 120 1HG MET 120 -11.158 -18.005 -3.055 813 HG3 MET 120 2HG MET 120 -12.814 -17.829 -2.482 814 HE1 MET 120 1HE MET 120 -11.069 -20.984 -0.901 815 HE2 MET 120 2HE MET 120 -11.085 -19.221 -0.904 816 HE3 MET 120 3HE MET 120 -12.530 -20.115 -0.430 817 HA PRO 121 HA PRO 121 -11.281 -16.224 -9.249 818 HB2 PRO 121 1HB PRO 121 -9.313 -17.961 -9.942 819 HB3 PRO 121 2HB PRO 121 -8.988 -16.368 -9.247 820 HG2 PRO 121 1HG PRO 121 -9.027 -19.047 -7.910 821 HG3 PRO 121 2HG PRO 121 -7.872 -17.715 -7.714 822 HD2 PRO 121 1HD PRO 121 -9.865 -18.189 -5.943 823 HD3 PRO 121 2HD PRO 121 -9.261 -16.555 -6.286 824 H PHE 122 H PHE 122 -12.249 -17.217 -10.968 825 HA PHE 122 HA PHE 122 -13.815 -19.533 -10.470 826 HB2 PHE 122 1HB PHE 122 -13.318 -17.805 -12.872 827 HB3 PHE 122 2HB PHE 122 -14.205 -19.317 -13.041 828 HD1 PHE 122 2HD PHE 122 -14.204 -16.022 -11.380 829 HD2 PHE 122 1HD PHE 122 -16.455 -19.498 -12.361 830 HE1 PHE 122 2HE PHE 122 -16.264 -14.885 -10.662 831 HE2 PHE 122 1HE PHE 122 -18.520 -18.367 -11.646 832 HZ PHE 122 HZ PHE 122 -18.426 -16.058 -10.794 833 H ASP 123 H ASP 123 -13.838 -21.302 -12.286 834 HA ASP 123 HA ASP 123 -11.135 -22.430 -12.335 835 HB2 ASP 123 1HB ASP 123 -12.463 -24.537 -13.040 836 HB3 ASP 123 2HB ASP 123 -12.587 -23.988 -11.371 837 HA PRO 124 HA PRO 124 -10.687 -21.769 -16.662 838 HB2 PRO 124 1HB PRO 124 -8.883 -23.721 -17.214 839 HB3 PRO 124 2HB PRO 124 -8.459 -22.238 -16.350 840 HG2 PRO 124 1HG PRO 124 -9.051 -24.962 -15.259 841 HG3 PRO 124 2HG PRO 124 -7.774 -23.824 -14.793 842 HD2 PRO 124 1HD PRO 124 -10.055 -24.119 -13.364 843 HD3 PRO 124 2HD PRO 124 -9.196 -22.570 -13.482 844 H SER 125 H SER 125 -11.049 -22.771 -18.730 845 HA SER 125 HA SER 125 -13.195 -24.677 -18.661 846 HB2 SER 125 1HB SER 125 -11.742 -23.354 -20.962 847 HB3 SER 125 2HB SER 125 -13.134 -24.420 -21.157 848 HG SER 125 HG SER 125 -14.420 -22.896 -20.431 849 H SER 126 H SER 126 -12.818 -26.771 -18.391 850 HA SER 126 HA SER 126 -11.068 -28.181 -20.181 851 HB2 SER 126 1HB SER 126 -9.662 -27.282 -18.160 852 HB3 SER 126 2HB SER 126 -10.432 -28.602 -17.279 853 HG SER 126 HG SER 126 -8.723 -28.735 -19.524 854 H GLY 127 H GLY 127 -11.810 -30.194 -20.537 855 HA2 GLY 127 1HA GLY 127 -12.698 -32.224 -19.247 856 HA3 GLY 127 2HA GLY 127 -13.996 -31.129 -18.795 857 HA PRO 128 HA PRO 128 -16.245 -31.979 -22.458 858 HB2 PRO 128 1HB PRO 128 -16.925 -29.548 -23.457 859 HB3 PRO 128 2HB PRO 128 -17.636 -30.214 -21.982 860 HG2 PRO 128 1HG PRO 128 -15.425 -28.219 -22.285 861 HG3 PRO 128 2HG PRO 128 -16.793 -28.210 -21.157 862 HD2 PRO 128 1HD PRO 128 -14.306 -28.994 -20.426 863 HD3 PRO 128 2HD PRO 128 -15.775 -29.692 -19.715 864 H SER 129 H SER 129 -13.274 -30.401 -22.699 865 HA SER 129 HA SER 129 -13.222 -30.005 -25.537 866 HB2 SER 129 1HB SER 129 -11.765 -28.630 -24.235 867 HB3 SER 129 2HB SER 129 -11.060 -30.029 -23.426 868 HG SER 129 HG SER 129 -10.056 -28.878 -25.461 869 H SER 130 H SER 130 -12.138 -31.224 -27.094 870 HA SER 130 HA SER 130 -11.932 -34.064 -26.443 871 HB2 SER 130 1HB SER 130 -13.250 -33.100 -28.451 872 HB3 SER 130 2HB SER 130 -11.669 -32.899 -29.206 873 HG SER 130 HG SER 130 -12.519 -34.904 -29.765 874 H GLY 131 H GLY 131 -10.034 -31.530 -28.074 875 HA2 GLY 131 1HA GLY 131 -7.655 -33.244 -27.856 876 HA3 GLY 131 2HA GLY 131 -7.814 -31.843 -28.904 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -51.233 -3.459 -10.200 2 HA2 GLY 1 1HA GLY 1 -50.694 -2.263 -7.790 3 HA3 GLY 1 2HA GLY 1 -49.525 -3.570 -7.904 4 H SER 2 H SER 2 -48.227 -1.419 -7.734 5 HA SER 2 HA SER 2 -46.914 -1.043 -10.199 6 HB2 SER 2 1HB SER 2 -49.032 0.923 -9.482 7 HB3 SER 2 2HB SER 2 -47.522 1.562 -10.132 8 HG SER 2 HG SER 2 -49.275 0.952 -11.668 9 H SER 3 H SER 3 -45.131 0.494 -10.046 10 HA SER 3 HA SER 3 -44.505 1.879 -7.669 11 HB2 SER 3 1HB SER 3 -44.279 -0.686 -7.095 12 HB3 SER 3 2HB SER 3 -42.737 -0.522 -7.936 13 HG SER 3 HG SER 3 -42.856 -0.099 -5.545 14 H GLY 4 H GLY 4 -42.016 2.351 -7.618 15 HA2 GLY 4 1HA GLY 4 -40.699 2.216 -10.183 16 HA3 GLY 4 2HA GLY 4 -41.284 3.822 -9.775 17 H SER 5 H SER 5 -38.930 4.285 -9.966 18 HA SER 5 HA SER 5 -37.728 4.162 -7.316 19 HB2 SER 5 1HB SER 5 -36.924 2.226 -8.915 20 HB3 SER 5 2HB SER 5 -35.937 3.504 -9.623 21 HG SER 5 HG SER 5 -35.430 2.112 -7.454 22 H SER 6 H SER 6 -35.494 5.413 -7.479 23 HA SER 6 HA SER 6 -35.693 7.667 -9.327 24 HB2 SER 6 1HB SER 6 -35.546 9.326 -7.566 25 HB3 SER 6 2HB SER 6 -36.947 8.299 -7.262 26 HG SER 6 HG SER 6 -36.063 7.672 -5.465 27 H GLY 7 H GLY 7 -33.738 9.212 -8.861 28 HA2 GLY 7 1HA GLY 7 -31.427 8.980 -7.761 29 HA3 GLY 7 2HA GLY 7 -31.372 7.468 -8.655 30 H ASP 8 H ASP 8 -30.032 10.318 -8.707 31 HA ASP 8 HA ASP 8 -29.391 10.234 -11.474 32 HB2 ASP 8 1HB ASP 8 -31.704 11.363 -11.386 33 HB3 ASP 8 2HB ASP 8 -30.862 12.734 -10.669 34 H VAL 9 H VAL 9 -28.118 12.339 -12.071 35 HA VAL 9 HA VAL 9 -26.511 13.112 -9.722 36 HB VAL 9 HB VAL 9 -25.546 12.670 -12.551 37 HG11 VAL 9 1HG1 VAL 9 -24.442 14.548 -11.312 38 HG12 VAL 9 2HG1 VAL 9 -23.907 13.362 -10.120 39 HG13 VAL 9 3HG1 VAL 9 -23.360 13.242 -11.793 40 HG21 VAL 9 1HG2 VAL 9 -25.462 10.537 -11.873 41 HG22 VAL 9 2HG2 VAL 9 -24.079 11.048 -10.904 42 HG23 VAL 9 3HG2 VAL 9 -25.684 10.969 -10.178 43 H THR 10 H THR 10 -26.012 15.232 -9.461 44 HA THR 10 HA THR 10 -26.585 17.121 -11.613 45 HB THR 10 HB THR 10 -27.857 18.604 -10.075 46 HG1 THR 10 1HG THR 10 -28.752 17.482 -8.180 47 HG21 THR 10 1HG2 THR 10 -29.138 15.886 -10.371 48 HG22 THR 10 2HG2 THR 10 -28.980 17.057 -11.681 49 HG23 THR 10 3HG2 THR 10 -29.955 17.444 -10.264 50 H TYR 11 H TYR 11 -25.578 19.163 -11.355 51 HA TYR 11 HA TYR 11 -24.052 19.881 -9.085 52 HB2 TYR 11 1HB TYR 11 -22.699 17.947 -10.000 53 HB3 TYR 11 2HB TYR 11 -22.385 18.938 -11.420 54 HD1 TYR 11 2HD TYR 11 -21.335 21.281 -10.964 55 HD2 TYR 11 1HD TYR 11 -21.257 18.061 -8.184 56 HE1 TYR 11 2HE TYR 11 -19.425 22.324 -9.819 57 HE2 TYR 11 1HE TYR 11 -19.347 19.096 -7.030 58 HH TYR 11 HH TYR 11 -17.542 21.614 -8.359 59 H ASP 12 H ASP 12 -23.495 21.994 -9.176 60 HA ASP 12 HA ASP 12 -22.915 23.416 -11.548 61 HB2 ASP 12 1HB ASP 12 -24.922 24.825 -11.686 62 HB3 ASP 12 2HB ASP 12 -25.311 23.132 -11.976 63 H GLY 13 H GLY 13 -22.117 25.455 -11.122 64 HA2 GLY 13 1HA GLY 13 -22.631 27.005 -8.855 65 HA3 GLY 13 2HA GLY 13 -21.258 25.973 -8.483 66 H HIS 14 H HIS 14 -19.985 27.892 -8.273 67 HA HIS 14 HA HIS 14 -19.632 29.789 -10.310 68 HB2 HIS 14 1HB HIS 14 -17.300 30.026 -9.118 69 HB3 HIS 14 2HB HIS 14 -18.777 30.507 -8.288 70 HD1 HIS 14 1HD HIS 14 -19.576 29.007 -6.328 71 HD2 HIS 14 2HD HIS 14 -15.984 27.815 -8.041 72 HE1 HIS 14 1HE HIS 14 -18.585 27.344 -4.723 73 HE2 HIS 14 2HE HIS 14 -16.372 26.701 -5.739 74 HA PRO 15 HA PRO 15 -17.204 27.746 -13.346 75 HB2 PRO 15 1HB PRO 15 -15.745 29.827 -14.299 76 HB3 PRO 15 2HB PRO 15 -17.469 29.628 -14.636 77 HG2 PRO 15 1HG PRO 15 -16.125 31.369 -12.605 78 HG3 PRO 15 2HG PRO 15 -17.485 31.747 -13.677 79 HD2 PRO 15 1HD PRO 15 -17.822 31.098 -11.070 80 HD3 PRO 15 2HD PRO 15 -19.015 30.685 -12.318 81 H VAL 16 H VAL 16 -15.155 26.899 -13.743 82 HA VAL 16 HA VAL 16 -13.331 27.013 -11.498 83 HB VAL 16 HB VAL 16 -12.048 25.289 -12.799 84 HG11 VAL 16 1HG1 VAL 16 -14.961 24.772 -12.222 85 HG12 VAL 16 2HG1 VAL 16 -13.757 23.511 -12.496 86 HG13 VAL 16 3HG1 VAL 16 -13.606 24.590 -11.109 87 HG21 VAL 16 1HG2 VAL 16 -14.385 24.949 -14.599 88 HG22 VAL 16 2HG2 VAL 16 -13.221 26.215 -14.989 89 HG23 VAL 16 3HG2 VAL 16 -12.689 24.539 -14.856 90 HA PRO 17 HA PRO 17 -10.529 29.944 -13.214 91 HB2 PRO 17 1HB PRO 17 -8.279 29.223 -11.878 92 HB3 PRO 17 2HB PRO 17 -9.620 30.081 -11.109 93 HG2 PRO 17 1HG PRO 17 -8.963 27.160 -11.060 94 HG3 PRO 17 2HG PRO 17 -9.493 28.210 -9.733 95 HD2 PRO 17 1HD PRO 17 -11.182 26.537 -11.030 96 HD3 PRO 17 2HD PRO 17 -11.708 28.094 -10.358 97 H GLY 18 H GLY 18 -8.636 30.122 -14.546 98 HA2 GLY 18 1HA GLY 18 -8.080 27.629 -16.016 99 HA3 GLY 18 2HA GLY 18 -7.948 29.249 -16.685 100 H SER 19 H SER 19 -5.941 29.923 -16.975 101 HA SER 19 HA SER 19 -3.662 30.013 -16.872 102 HB2 SER 19 1HB SER 19 -4.593 31.091 -14.637 103 HB3 SER 19 2HB SER 19 -3.776 29.712 -13.901 104 HG SER 19 HG SER 19 -2.725 31.960 -15.083 105 HA PRO 20 HA PRO 20 -3.460 25.378 -15.874 106 HB2 PRO 20 1HB PRO 20 -3.448 24.469 -18.432 107 HB3 PRO 20 2HB PRO 20 -4.932 24.695 -17.500 108 HG2 PRO 20 1HG PRO 20 -3.695 26.485 -19.556 109 HG3 PRO 20 2HG PRO 20 -5.398 26.041 -19.338 110 HD2 PRO 20 1HD PRO 20 -4.386 28.402 -18.481 111 HD3 PRO 20 2HD PRO 20 -5.709 27.568 -17.639 112 H TYR 21 H TYR 21 -1.812 27.710 -17.772 113 HA TYR 21 HA TYR 21 0.484 26.030 -18.317 114 HB2 TYR 21 1HB TYR 21 0.100 29.002 -18.731 115 HB3 TYR 21 2HB TYR 21 1.445 28.044 -19.340 116 HD1 TYR 21 1HD TYR 21 1.143 26.525 -21.217 117 HD2 TYR 21 2HD TYR 21 -2.096 28.865 -19.755 118 HE1 TYR 21 1HE TYR 21 -0.126 26.039 -23.268 119 HE2 TYR 21 2HE TYR 21 -3.374 28.385 -21.801 120 HH TYR 21 HH TYR 21 -3.271 26.327 -23.595 121 H THR 22 H THR 22 -0.023 26.090 -15.615 122 HA THR 22 HA THR 22 1.745 28.043 -14.389 123 HB THR 22 HB THR 22 0.366 25.740 -13.009 124 HG1 THR 22 1HG THR 22 -0.632 28.189 -13.938 125 HG21 THR 22 1HG2 THR 22 0.561 27.138 -11.033 126 HG22 THR 22 2HG2 THR 22 1.287 28.430 -11.989 127 HG23 THR 22 3HG2 THR 22 2.149 26.909 -11.762 128 H VAL 23 H VAL 23 3.610 27.520 -13.200 129 HA VAL 23 HA VAL 23 5.243 25.511 -14.351 130 HB VAL 23 HB VAL 23 6.863 26.110 -12.537 131 HG11 VAL 23 1HG1 VAL 23 7.501 28.080 -13.561 132 HG12 VAL 23 2HG1 VAL 23 6.460 27.353 -14.787 133 HG13 VAL 23 3HG1 VAL 23 5.840 28.640 -13.753 134 HG21 VAL 23 1HG2 VAL 23 6.125 27.058 -10.671 135 HG22 VAL 23 2HG2 VAL 23 5.653 28.484 -11.596 136 HG23 VAL 23 3HG2 VAL 23 4.500 27.173 -11.345 137 H GLU 24 H GLU 24 5.233 23.411 -13.935 138 HA GLU 24 HA GLU 24 4.120 22.467 -11.391 139 HB2 GLU 24 1HB GLU 24 3.988 20.260 -12.528 140 HB3 GLU 24 2HB GLU 24 3.054 21.514 -13.330 141 HG2 GLU 24 1HG GLU 24 4.542 21.661 -15.110 142 HG3 GLU 24 2HG GLU 24 5.837 20.868 -14.215 143 H ALA 25 H ALA 25 6.584 23.526 -11.069 144 HA ALA 25 HA ALA 25 8.301 21.151 -10.747 145 HB1 ALA 25 1HB ALA 25 9.676 22.221 -12.163 146 HB2 ALA 25 2HB ALA 25 8.897 23.782 -11.903 147 HB3 ALA 25 3HB ALA 25 10.091 23.189 -10.748 148 H SER 26 H SER 26 9.072 20.759 -8.755 149 HA SER 26 HA SER 26 9.320 20.891 -6.497 150 HB2 SER 26 1HB SER 26 9.690 23.821 -7.160 151 HB3 SER 26 2HB SER 26 10.045 23.102 -5.590 152 HG SER 26 HG SER 26 11.719 22.016 -6.445 153 H LEU 27 H LEU 27 6.736 20.647 -7.196 154 HA LEU 27 HA LEU 27 5.127 22.703 -5.961 155 HB2 LEU 27 1HB LEU 27 4.448 20.011 -7.126 156 HB3 LEU 27 2HB LEU 27 3.253 21.110 -6.441 157 HG LEU 27 HG LEU 27 5.026 21.918 -8.729 158 HD11 LEU 27 1HD1 LEU 27 3.829 20.782 -10.224 159 HD12 LEU 27 2HD1 LEU 27 2.305 21.194 -9.439 160 HD13 LEU 27 3HD1 LEU 27 3.247 19.818 -8.867 161 HD21 LEU 27 1HD2 LEU 27 3.745 23.771 -8.860 162 HD22 LEU 27 2HD2 LEU 27 3.436 23.418 -7.160 163 HD23 LEU 27 3HD2 LEU 27 2.274 22.920 -8.390 164 HA PRO 28 HA PRO 28 5.119 21.066 -1.876 165 HB2 PRO 28 1HB PRO 28 2.771 22.107 -0.997 166 HB3 PRO 28 2HB PRO 28 4.226 23.082 -1.230 167 HG2 PRO 28 1HG PRO 28 1.855 22.757 -3.028 168 HG3 PRO 28 2HG PRO 28 2.743 24.232 -2.603 169 HD2 PRO 28 1HD PRO 28 3.129 22.921 -4.941 170 HD3 PRO 28 2HD PRO 28 4.430 23.802 -4.114 171 HA PRO 29 HA PRO 29 2.756 17.339 -1.995 172 HB2 PRO 29 1HB PRO 29 2.862 16.687 0.638 173 HB3 PRO 29 2HB PRO 29 4.246 16.523 -0.448 174 HG2 PRO 29 1HG PRO 29 3.617 18.705 1.503 175 HG3 PRO 29 2HG PRO 29 5.168 17.909 1.176 176 HD2 PRO 29 1HD PRO 29 4.535 20.337 0.160 177 HD3 PRO 29 2HD PRO 29 5.569 19.180 -0.704 178 H ASP 30 H ASP 30 0.621 17.183 -2.196 179 HA ASP 30 HA ASP 30 -1.088 18.307 -0.081 180 HB2 ASP 30 1HB ASP 30 -1.750 18.410 -3.028 181 HB3 ASP 30 2HB ASP 30 -2.662 19.131 -1.706 182 HA PRO 31 HA PRO 31 -2.200 13.911 -0.476 183 HB2 PRO 31 1HB PRO 31 -3.134 13.710 2.065 184 HB3 PRO 31 2HB PRO 31 -1.418 13.585 1.660 185 HG2 PRO 31 1HG PRO 31 -2.949 15.930 2.719 186 HG3 PRO 31 2HG PRO 31 -1.347 15.334 3.191 187 HD2 PRO 31 1HD PRO 31 -1.684 17.447 1.532 188 HD3 PRO 31 2HD PRO 31 -0.306 16.336 1.395 189 H SER 32 H SER 32 -4.038 16.707 0.513 190 HA SER 32 HA SER 32 -6.586 15.478 0.641 191 HB2 SER 32 1HB SER 32 -6.043 17.703 1.630 192 HB3 SER 32 2HB SER 32 -5.952 18.368 -0.001 193 HG SER 32 HG SER 32 -8.040 18.503 -0.003 194 H LYS 33 H LYS 33 -4.550 16.150 -1.961 195 HA LYS 33 HA LYS 33 -6.758 16.294 -3.883 196 HB2 LYS 33 1HB LYS 33 -3.804 16.547 -4.450 197 HB3 LYS 33 2HB LYS 33 -5.136 16.989 -5.509 198 HG2 LYS 33 1HG LYS 33 -4.957 18.321 -2.862 199 HG3 LYS 33 2HG LYS 33 -3.808 18.790 -4.117 200 HD2 LYS 33 1HD LYS 33 -5.497 20.253 -4.589 201 HD3 LYS 33 2HD LYS 33 -6.012 18.888 -5.584 202 HE2 LYS 33 1HE LYS 33 -7.636 18.225 -4.013 203 HE3 LYS 33 2HE LYS 33 -6.943 19.240 -2.748 204 HZ1 LYS 33 1HZ LYS 33 -8.986 19.889 -4.508 205 HZ2 LYS 33 2HZ LYS 33 -7.659 20.833 -4.962 206 HZ3 LYS 33 3HZ LYS 33 -8.241 20.901 -3.375 207 H VAL 34 H VAL 34 -3.933 14.353 -3.032 208 HA VAL 34 HA VAL 34 -3.729 12.547 -5.030 209 HB VAL 34 HB VAL 34 -3.670 12.014 -2.064 210 HG11 VAL 34 1HG1 VAL 34 -2.495 9.908 -2.632 211 HG12 VAL 34 2HG1 VAL 34 -4.187 9.919 -3.135 212 HG13 VAL 34 3HG1 VAL 34 -2.909 10.171 -4.326 213 HG21 VAL 34 1HG2 VAL 34 -1.153 11.693 -3.257 214 HG22 VAL 34 2HG2 VAL 34 -1.841 13.156 -3.961 215 HG23 VAL 34 3HG2 VAL 34 -1.687 13.008 -2.211 216 H LYS 35 H LYS 35 -5.248 11.535 -6.156 217 HA LYS 35 HA LYS 35 -7.529 10.364 -4.703 218 HB2 LYS 35 1HB LYS 35 -7.365 11.787 -7.323 219 HB3 LYS 35 2HB LYS 35 -8.558 10.508 -7.138 220 HG2 LYS 35 1HG LYS 35 -9.158 11.822 -4.947 221 HG3 LYS 35 2HG LYS 35 -8.397 13.162 -5.806 222 HD2 LYS 35 1HD LYS 35 -9.914 12.756 -7.714 223 HD3 LYS 35 2HD LYS 35 -10.706 11.482 -6.783 224 HE2 LYS 35 1HE LYS 35 -10.506 14.362 -5.911 225 HE3 LYS 35 2HE LYS 35 -11.899 13.668 -6.739 226 HZ1 LYS 35 1HZ LYS 35 -11.060 12.179 -4.422 227 HZ2 LYS 35 2HZ LYS 35 -12.607 12.690 -4.878 228 HZ3 LYS 35 3HZ LYS 35 -11.572 13.752 -4.064 229 H ALA 36 H ALA 36 -7.665 8.223 -4.747 230 HA ALA 36 HA ALA 36 -6.168 6.771 -6.829 231 HB1 ALA 36 1HB ALA 36 -6.726 5.001 -4.729 232 HB2 ALA 36 2HB ALA 36 -5.167 5.707 -5.158 233 HB3 ALA 36 3HB ALA 36 -6.199 6.504 -3.972 234 H HIS 37 H HIS 37 -7.431 5.890 -8.319 235 HA HIS 37 HA HIS 37 -9.978 4.684 -7.477 236 HB2 HIS 37 1HB HIS 37 -10.848 5.424 -9.781 237 HB3 HIS 37 2HB HIS 37 -10.722 6.651 -8.525 238 HD1 HIS 37 1HD HIS 37 -9.129 5.548 -11.738 239 HD2 HIS 37 2HD HIS 37 -8.901 8.690 -9.028 240 HE1 HIS 37 1HE HIS 37 -7.723 7.304 -12.861 241 HE2 HIS 37 2HE HIS 37 -7.528 9.160 -11.169 242 H GLY 38 H GLY 38 -10.418 2.710 -8.317 243 HA2 GLY 38 1HA GLY 38 -9.739 1.580 -10.689 244 HA3 GLY 38 2HA GLY 38 -8.287 1.366 -9.722 245 HA PRO 39 HA PRO 39 -11.398 -2.110 -9.001 246 HB2 PRO 39 1HB PRO 39 -9.885 -4.116 -10.030 247 HB3 PRO 39 2HB PRO 39 -11.018 -3.171 -11.003 248 HG2 PRO 39 1HG PRO 39 -8.049 -2.886 -10.741 249 HG3 PRO 39 2HG PRO 39 -9.056 -2.810 -12.199 250 HD2 PRO 39 1HD PRO 39 -8.129 -0.592 -10.953 251 HD3 PRO 39 2HD PRO 39 -9.687 -0.629 -11.803 252 H GLY 40 H GLY 40 -7.848 -2.093 -8.761 253 HA2 GLY 40 1HA GLY 40 -7.495 -4.036 -6.824 254 HA3 GLY 40 2HA GLY 40 -6.457 -2.630 -7.015 255 H LEU 41 H LEU 41 -8.914 -0.910 -6.480 256 HA LEU 41 HA LEU 41 -8.511 -0.748 -3.631 257 HB2 LEU 41 1HB LEU 41 -10.357 0.837 -5.410 258 HB3 LEU 41 2HB LEU 41 -9.922 1.229 -3.747 259 HG LEU 41 HG LEU 41 -8.010 1.200 -6.082 260 HD11 LEU 41 1HD1 LEU 41 -9.519 3.016 -6.382 261 HD12 LEU 41 2HD1 LEU 41 -8.023 3.676 -5.724 262 HD13 LEU 41 3HD1 LEU 41 -9.424 3.456 -4.677 263 HD21 LEU 41 1HD2 LEU 41 -6.898 2.692 -4.080 264 HD22 LEU 41 2HD2 LEU 41 -6.498 1.012 -4.442 265 HD23 LEU 41 3HD2 LEU 41 -7.676 1.388 -3.183 266 H GLU 42 H GLU 42 -11.243 -1.422 -5.798 267 HA GLU 42 HA GLU 42 -13.115 -1.865 -3.706 268 HB2 GLU 42 1HB GLU 42 -13.149 -2.748 -6.597 269 HB3 GLU 42 2HB GLU 42 -14.513 -2.878 -5.496 270 HG2 GLU 42 1HG GLU 42 -14.418 -0.402 -5.209 271 HG3 GLU 42 2HG GLU 42 -13.201 -0.360 -6.483 272 H GLY 43 H GLY 43 -10.823 -3.892 -5.397 273 HA2 GLY 43 1HA GLY 43 -10.284 -5.807 -3.685 274 HA3 GLY 43 2HA GLY 43 -11.911 -6.300 -4.132 275 H GLY 44 H GLY 44 -10.887 -8.288 -4.857 276 HA2 GLY 44 1HA GLY 44 -10.537 -8.351 -7.650 277 HA3 GLY 44 2HA GLY 44 -8.957 -8.416 -6.884 278 H LEU 45 H LEU 45 -8.381 -10.483 -7.327 279 HA LEU 45 HA LEU 45 -10.054 -12.582 -6.125 280 HB2 LEU 45 1HB LEU 45 -8.587 -12.718 -8.754 281 HB3 LEU 45 2HB LEU 45 -9.357 -14.090 -7.960 282 HG LEU 45 HG LEU 45 -10.880 -11.641 -8.824 283 HD11 LEU 45 1HD1 LEU 45 -9.681 -12.823 -10.717 284 HD12 LEU 45 2HD1 LEU 45 -11.433 -12.691 -10.858 285 HD13 LEU 45 3HD1 LEU 45 -10.702 -14.217 -10.362 286 HD21 LEU 45 1HD2 LEU 45 -11.604 -14.395 -7.878 287 HD22 LEU 45 2HD2 LEU 45 -12.728 -13.419 -8.825 288 HD23 LEU 45 3HD2 LEU 45 -12.147 -12.832 -7.266 289 H VAL 46 H VAL 46 -8.928 -14.409 -5.320 290 HA VAL 46 HA VAL 46 -6.488 -13.823 -4.046 291 HB VAL 46 HB VAL 46 -7.734 -16.536 -4.517 292 HG11 VAL 46 1HG1 VAL 46 -5.414 -15.593 -2.926 293 HG12 VAL 46 2HG1 VAL 46 -6.449 -16.832 -2.214 294 HG13 VAL 46 3HG1 VAL 46 -5.665 -17.122 -3.768 295 HG21 VAL 46 1HG2 VAL 46 -8.984 -14.563 -3.264 296 HG22 VAL 46 2HG2 VAL 46 -9.070 -16.229 -2.693 297 HG23 VAL 46 3HG2 VAL 46 -7.957 -15.093 -1.931 298 H GLY 47 H GLY 47 -4.390 -14.475 -4.432 299 HA2 GLY 47 1HA GLY 47 -2.551 -14.990 -5.705 300 HA3 GLY 47 2HA GLY 47 -3.525 -16.303 -6.350 301 H LYS 48 H LYS 48 -4.881 -13.227 -6.834 302 HA LYS 48 HA LYS 48 -3.909 -13.223 -9.616 303 HB2 LYS 48 1HB LYS 48 -6.597 -12.573 -8.442 304 HB3 LYS 48 2HB LYS 48 -6.116 -11.911 -9.999 305 HG2 LYS 48 1HG LYS 48 -5.849 -14.839 -9.569 306 HG3 LYS 48 2HG LYS 48 -7.461 -14.163 -9.813 307 HD2 LYS 48 1HD LYS 48 -6.815 -13.232 -11.928 308 HD3 LYS 48 2HD LYS 48 -5.128 -13.676 -11.662 309 HE2 LYS 48 1HE LYS 48 -6.035 -16.089 -11.490 310 HE3 LYS 48 2HE LYS 48 -7.474 -15.438 -12.273 311 HZ1 LYS 48 1HZ LYS 48 -4.710 -15.316 -13.354 312 HZ2 LYS 48 2HZ LYS 48 -6.086 -14.680 -14.104 313 HZ3 LYS 48 3HZ LYS 48 -5.937 -16.352 -13.889 314 HA PRO 49 HA PRO 49 -2.206 -9.227 -8.920 315 HB2 PRO 49 1HB PRO 49 -2.232 -8.280 -11.465 316 HB3 PRO 49 2HB PRO 49 -1.094 -9.514 -10.910 317 HG2 PRO 49 1HG PRO 49 -3.646 -9.841 -12.440 318 HG3 PRO 49 2HG PRO 49 -2.084 -10.644 -12.685 319 HD2 PRO 49 1HD PRO 49 -4.152 -11.839 -11.409 320 HD3 PRO 49 2HD PRO 49 -2.457 -12.162 -10.992 321 H ALA 50 H ALA 50 -3.088 -7.417 -8.152 322 HA ALA 50 HA ALA 50 -5.429 -6.271 -9.496 323 HB1 ALA 50 1HB ALA 50 -5.893 -5.825 -6.783 324 HB2 ALA 50 2HB ALA 50 -6.783 -6.910 -7.853 325 HB3 ALA 50 3HB ALA 50 -5.432 -7.524 -6.900 326 H GLU 51 H GLU 51 -5.066 -4.206 -9.939 327 HA GLU 51 HA GLU 51 -3.509 -2.589 -8.051 328 HB2 GLU 51 1HB GLU 51 -2.474 -1.472 -10.121 329 HB3 GLU 51 2HB GLU 51 -1.845 -3.040 -9.633 330 HG2 GLU 51 1HG GLU 51 -3.046 -4.146 -11.368 331 HG3 GLU 51 2HG GLU 51 -3.930 -2.674 -11.768 332 H PHE 52 H PHE 52 -3.600 -0.182 -8.866 333 HA PHE 52 HA PHE 52 -6.227 0.435 -9.996 334 HB2 PHE 52 1HB PHE 52 -6.351 2.254 -8.117 335 HB3 PHE 52 2HB PHE 52 -6.863 0.605 -7.773 336 HD1 PHE 52 1HD PHE 52 -5.016 -0.964 -6.802 337 HD2 PHE 52 2HD PHE 52 -4.860 3.288 -6.703 338 HE1 PHE 52 1HE PHE 52 -3.421 -1.069 -4.931 339 HE2 PHE 52 2HE PHE 52 -3.265 3.190 -4.833 340 HZ PHE 52 HZ PHE 52 -2.542 1.009 -3.945 341 H THR 53 H THR 53 -6.392 2.998 -10.067 342 HA THR 53 HA THR 53 -3.859 3.938 -11.243 343 HB THR 53 HB THR 53 -6.625 4.943 -11.922 344 HG1 THR 53 1HG THR 53 -6.101 2.653 -12.491 345 HG21 THR 53 1HG2 THR 53 -4.021 5.902 -12.493 346 HG22 THR 53 2HG2 THR 53 -5.562 6.499 -13.108 347 HG23 THR 53 3HG2 THR 53 -4.684 5.250 -13.990 348 H ILE 54 H ILE 54 -2.850 5.399 -10.044 349 HA ILE 54 HA ILE 54 -4.394 7.062 -8.194 350 HB ILE 54 HB ILE 54 -1.434 6.513 -8.392 351 HG12 ILE 54 1HG1 ILE 54 -3.416 5.908 -6.189 352 HG13 ILE 54 2HG1 ILE 54 -2.903 4.746 -7.407 353 HG21 ILE 54 1HG2 ILE 54 -2.933 8.424 -6.616 354 HG22 ILE 54 2HG2 ILE 54 -1.306 7.845 -6.260 355 HG23 ILE 54 3HG2 ILE 54 -1.608 8.783 -7.723 356 HD11 ILE 54 1HD1 ILE 54 -1.320 4.159 -5.969 357 HD12 ILE 54 2HD1 ILE 54 -0.530 5.685 -6.369 358 HD13 ILE 54 3HD1 ILE 54 -1.594 5.583 -4.966 359 H ASP 55 H ASP 55 -4.228 9.308 -8.151 360 HA ASP 55 HA ASP 55 -2.872 10.573 -10.430 361 HB2 ASP 55 1HB ASP 55 -5.758 10.683 -9.712 362 HB3 ASP 55 2HB ASP 55 -5.007 12.173 -10.275 363 H THR 56 H THR 56 -1.343 11.770 -9.500 364 HA THR 56 HA THR 56 -2.125 13.509 -7.253 365 HB THR 56 HB THR 56 0.158 13.324 -6.360 366 HG1 THR 56 1HG THR 56 0.467 11.582 -8.575 367 HG21 THR 56 1HG2 THR 56 -1.845 11.581 -5.983 368 HG22 THR 56 2HG2 THR 56 -0.285 11.437 -5.172 369 HG23 THR 56 3HG2 THR 56 -0.621 10.479 -6.614 370 H LYS 57 H LYS 57 -1.937 13.898 -10.234 371 HA LYS 57 HA LYS 57 0.248 15.385 -11.021 372 HB2 LYS 57 1HB LYS 57 -2.608 16.023 -11.770 373 HB3 LYS 57 2HB LYS 57 -1.160 16.363 -12.709 374 HG2 LYS 57 1HG LYS 57 -0.791 13.884 -12.850 375 HG3 LYS 57 2HG LYS 57 -2.394 13.682 -12.140 376 HD2 LYS 57 1HD LYS 57 -3.171 15.245 -14.054 377 HD3 LYS 57 2HD LYS 57 -1.635 14.812 -14.809 378 HE2 LYS 57 1HE LYS 57 -3.736 12.856 -13.881 379 HE3 LYS 57 2HE LYS 57 -3.498 13.376 -15.548 380 HZ1 LYS 57 1HZ LYS 57 -1.543 11.896 -13.873 381 HZ2 LYS 57 2HZ LYS 57 -1.240 12.460 -15.439 382 HZ3 LYS 57 3HZ LYS 57 -2.418 11.274 -15.180 383 H GLY 58 H GLY 58 -2.725 16.576 -9.457 384 HA2 GLY 58 1HA GLY 58 -1.423 19.173 -9.043 385 HA3 GLY 58 2HA GLY 58 -3.138 18.837 -8.852 386 H ALA 59 H ALA 59 -0.705 16.742 -7.493 387 HA ALA 59 HA ALA 59 -1.619 17.521 -4.814 388 HB1 ALA 59 1HB ALA 59 -1.667 15.353 -4.346 389 HB2 ALA 59 2HB ALA 59 -1.243 15.018 -6.025 390 HB3 ALA 59 3HB ALA 59 0.026 15.172 -4.810 391 H GLY 60 H GLY 60 1.328 16.857 -6.678 392 HA2 GLY 60 1HA GLY 60 3.100 18.601 -6.251 393 HA3 GLY 60 2HA GLY 60 2.868 18.214 -4.553 394 H THR 61 H THR 61 5.002 17.578 -4.251 395 HA THR 61 HA THR 61 5.603 14.904 -5.278 396 HB THR 61 HB THR 61 7.714 17.061 -5.263 397 HG1 THR 61 1HG THR 61 5.856 16.323 -7.228 398 HG21 THR 61 1HG2 THR 61 7.664 14.377 -6.643 399 HG22 THR 61 2HG2 THR 61 8.411 14.663 -5.071 400 HG23 THR 61 3HG2 THR 61 9.029 15.485 -6.503 401 H GLY 62 H GLY 62 6.322 13.583 -3.725 402 HA2 GLY 62 1HA GLY 62 8.031 14.400 -1.607 403 HA3 GLY 62 2HA GLY 62 6.373 14.270 -1.039 404 H GLY 63 H GLY 63 6.397 12.481 0.196 405 HA2 GLY 63 1HA GLY 63 7.298 9.988 -1.109 406 HA3 GLY 63 2HA GLY 63 7.630 10.320 0.584 407 H LEU 64 H LEU 64 5.601 8.739 -1.503 408 HA LEU 64 HA LEU 64 3.261 8.891 0.242 409 HB2 LEU 64 1HB LEU 64 2.974 9.062 -2.203 410 HB3 LEU 64 2HB LEU 64 3.634 7.437 -2.373 411 HG LEU 64 HG LEU 64 1.619 6.859 -0.741 412 HD11 LEU 64 1HD1 LEU 64 0.658 9.295 -2.235 413 HD12 LEU 64 2HD1 LEU 64 0.869 9.159 -0.490 414 HD13 LEU 64 3HD1 LEU 64 -0.354 8.187 -1.308 415 HD21 LEU 64 1HD2 LEU 64 1.511 7.258 -3.723 416 HD22 LEU 64 2HD2 LEU 64 0.252 6.429 -2.806 417 HD23 LEU 64 3HD2 LEU 64 1.892 5.780 -2.839 418 H GLY 65 H GLY 65 2.699 7.326 1.631 419 HA2 GLY 65 1HA GLY 65 4.371 4.899 1.668 420 HA3 GLY 65 2HA GLY 65 3.567 5.591 3.068 421 H LEU 66 H LEU 66 3.465 3.116 0.907 422 HA LEU 66 HA LEU 66 0.560 2.765 1.256 423 HB2 LEU 66 1HB LEU 66 1.442 3.047 -1.103 424 HB3 LEU 66 2HB LEU 66 2.232 1.486 -0.892 425 HG LEU 66 HG LEU 66 -0.227 0.718 -0.298 426 HD11 LEU 66 1HD1 LEU 66 -1.678 1.996 -2.068 427 HD12 LEU 66 2HD1 LEU 66 -0.555 3.312 -1.725 428 HD13 LEU 66 3HD1 LEU 66 -1.514 2.609 -0.422 429 HD21 LEU 66 1HD2 LEU 66 1.294 0.926 -2.799 430 HD22 LEU 66 2HD2 LEU 66 -0.436 0.645 -3.003 431 HD23 LEU 66 3HD2 LEU 66 0.533 -0.473 -2.042 432 H THR 67 H THR 67 0.046 1.232 2.655 433 HA THR 67 HA THR 67 1.718 -1.179 2.809 434 HB THR 67 HB THR 67 1.275 -1.186 5.315 435 HG1 THR 67 1HG THR 67 0.853 0.886 6.215 436 HG21 THR 67 1HG2 THR 67 3.156 0.345 5.793 437 HG22 THR 67 2HG2 THR 67 3.040 0.969 4.147 438 HG23 THR 67 3HG2 THR 67 3.482 -0.716 4.423 439 H VAL 68 H VAL 68 0.627 -3.074 3.118 440 HA VAL 68 HA VAL 68 -2.289 -2.916 2.928 441 HB VAL 68 HB VAL 68 -0.313 -5.100 2.322 442 HG11 VAL 68 1HG1 VAL 68 -2.593 -6.278 1.622 443 HG12 VAL 68 2HG1 VAL 68 -1.877 -6.484 3.222 444 HG13 VAL 68 3HG1 VAL 68 -3.193 -5.333 2.985 445 HG21 VAL 68 1HG2 VAL 68 -2.465 -4.416 0.447 446 HG22 VAL 68 2HG2 VAL 68 -1.324 -3.111 0.769 447 HG23 VAL 68 3HG2 VAL 68 -0.743 -4.660 0.159 448 H GLU 69 H GLU 69 -3.097 -2.701 4.955 449 HA GLU 69 HA GLU 69 -2.048 -4.234 7.165 450 HB2 GLU 69 1HB GLU 69 -4.103 -2.110 6.815 451 HB3 GLU 69 2HB GLU 69 -4.256 -3.166 8.212 452 HG2 GLU 69 1HG GLU 69 -1.690 -1.756 7.579 453 HG3 GLU 69 2HG GLU 69 -2.978 -0.982 8.501 454 H GLY 70 H GLY 70 -2.563 -6.235 5.747 455 HA2 GLY 70 1HA GLY 70 -5.345 -7.097 6.195 456 HA3 GLY 70 2HA GLY 70 -4.253 -7.787 5.004 457 HA PRO 71 HA PRO 71 -4.351 -10.337 8.974 458 HB2 PRO 71 1HB PRO 71 -5.451 -12.573 7.895 459 HB3 PRO 71 2HB PRO 71 -6.417 -11.268 8.594 460 HG2 PRO 71 1HG PRO 71 -5.782 -11.827 5.722 461 HG3 PRO 71 2HG PRO 71 -7.324 -11.343 6.454 462 HD2 PRO 71 1HD PRO 71 -5.703 -9.590 5.178 463 HD3 PRO 71 2HD PRO 71 -6.723 -9.120 6.552 464 H CYS 72 H CYS 72 -3.331 -10.758 5.683 465 HA CYS 72 HA CYS 72 -1.210 -12.587 6.601 466 HB2 CYS 72 1HB CYS 72 -1.272 -13.168 3.990 467 HB3 CYS 72 2HB CYS 72 -2.271 -14.012 5.167 468 HG CYS 72 HG CYS 72 -3.205 -12.348 2.528 469 H GLU 73 H GLU 73 0.554 -12.593 4.666 470 HA GLU 73 HA GLU 73 1.361 -9.779 4.430 471 HB2 GLU 73 1HB GLU 73 2.969 -11.082 5.637 472 HB3 GLU 73 2HB GLU 73 2.959 -12.339 4.408 473 HG2 GLU 73 1HG GLU 73 3.975 -10.793 2.815 474 HG3 GLU 73 2HG GLU 73 3.986 -9.532 4.047 475 H ALA 74 H ALA 74 0.162 -9.303 2.560 476 HA ALA 74 HA ALA 74 0.585 -10.855 0.153 477 HB1 ALA 74 1HB ALA 74 -1.498 -9.344 1.037 478 HB2 ALA 74 2HB ALA 74 -0.733 -8.253 -0.119 479 HB3 ALA 74 3HB ALA 74 -1.261 -9.855 -0.634 480 H LYS 75 H LYS 75 1.852 -10.326 -1.553 481 HA LYS 75 HA LYS 75 3.987 -8.487 -1.137 482 HB2 LYS 75 1HB LYS 75 3.973 -10.673 -2.515 483 HB3 LYS 75 2HB LYS 75 3.277 -9.693 -3.799 484 HG2 LYS 75 1HG LYS 75 5.556 -9.703 -4.259 485 HG3 LYS 75 2HG LYS 75 5.289 -8.151 -3.462 486 HD2 LYS 75 1HD LYS 75 7.179 -8.928 -2.381 487 HD3 LYS 75 2HD LYS 75 5.892 -9.463 -1.297 488 HE2 LYS 75 1HE LYS 75 7.010 -11.210 -3.475 489 HE3 LYS 75 2HE LYS 75 7.702 -11.158 -1.854 490 HZ1 LYS 75 1HZ LYS 75 5.220 -11.585 -1.186 491 HZ2 LYS 75 2HZ LYS 75 6.234 -12.866 -1.625 492 HZ3 LYS 75 3HZ LYS 75 5.130 -12.240 -2.744 493 H ILE 76 H ILE 76 4.504 -6.622 -2.366 494 HA ILE 76 HA ILE 76 2.276 -5.406 -3.843 495 HB ILE 76 HB ILE 76 3.929 -3.910 -1.808 496 HG12 ILE 76 1HG1 ILE 76 1.010 -4.641 -1.584 497 HG13 ILE 76 2HG1 ILE 76 2.288 -5.626 -0.882 498 HG21 ILE 76 1HG2 ILE 76 3.234 -2.137 -2.963 499 HG22 ILE 76 2HG2 ILE 76 2.130 -3.109 -3.933 500 HG23 ILE 76 3HG2 ILE 76 1.616 -2.496 -2.362 501 HD11 ILE 76 1HD1 ILE 76 1.573 -4.303 0.880 502 HD12 ILE 76 2HD1 ILE 76 3.012 -3.464 0.299 503 HD13 ILE 76 3HD1 ILE 76 1.409 -2.870 -0.134 504 H GLU 77 H GLU 77 2.869 -4.484 -5.705 505 HA GLU 77 HA GLU 77 5.725 -3.883 -6.110 506 HB2 GLU 77 1HB GLU 77 3.830 -5.453 -7.784 507 HB3 GLU 77 2HB GLU 77 5.003 -4.442 -8.615 508 HG2 GLU 77 1HG GLU 77 5.887 -6.330 -6.477 509 HG3 GLU 77 2HG GLU 77 5.574 -6.909 -8.112 510 H CYS 78 H CYS 78 5.754 -1.711 -5.999 511 HA CYS 78 HA CYS 78 3.662 -0.149 -7.285 512 HB2 CYS 78 1HB CYS 78 4.687 1.775 -6.216 513 HB3 CYS 78 2HB CYS 78 4.483 0.487 -5.035 514 HG CYS 78 HG CYS 78 7.420 -0.031 -6.172 515 H SER 79 H SER 79 3.856 0.852 -9.190 516 HA SER 79 HA SER 79 6.525 1.194 -10.358 517 HB2 SER 79 1HB SER 79 5.596 -0.899 -11.275 518 HB3 SER 79 2HB SER 79 4.166 -0.022 -11.820 519 HG SER 79 HG SER 79 6.663 -0.171 -12.934 520 H ASP 80 H ASP 80 6.780 3.005 -11.590 521 HA ASP 80 HA ASP 80 4.609 4.944 -11.477 522 HB2 ASP 80 1HB ASP 80 6.244 6.610 -11.914 523 HB3 ASP 80 2HB ASP 80 6.997 5.479 -10.794 524 H ASN 81 H ASN 81 3.998 6.206 -13.332 525 HA ASN 81 HA ASN 81 4.110 4.627 -15.804 526 HB2 ASN 81 1HB ASN 81 2.184 6.787 -14.920 527 HB3 ASN 81 2HB ASN 81 2.132 5.988 -16.488 528 HD21 ASN 81 1HD2 ASN 81 0.620 6.063 -13.688 529 HD22 ASN 81 2HD2 ASN 81 0.125 4.415 -13.528 530 H GLY 82 H GLY 82 4.477 7.932 -14.574 531 HA2 GLY 82 1HA GLY 82 6.411 9.180 -15.459 532 HA3 GLY 82 2HA GLY 82 5.968 8.568 -17.046 533 H ASP 83 H ASP 83 3.070 8.992 -16.382 534 HA ASP 83 HA ASP 83 3.010 11.814 -17.134 535 HB2 ASP 83 1HB ASP 83 1.775 9.997 -18.430 536 HB3 ASP 83 2HB ASP 83 0.666 9.917 -17.064 537 H GLY 84 H GLY 84 3.509 10.880 -14.360 538 HA2 GLY 84 1HA GLY 84 3.017 11.818 -12.300 539 HA3 GLY 84 2HA GLY 84 1.706 12.710 -13.059 540 H THR 85 H THR 85 1.959 9.251 -13.380 541 HA THR 85 HA THR 85 -0.202 8.910 -11.411 542 HB THR 85 HB THR 85 -1.178 7.167 -12.967 543 HG1 THR 85 1HG THR 85 0.268 8.542 -14.987 544 HG21 THR 85 1HG2 THR 85 -2.382 8.808 -14.330 545 HG22 THR 85 2HG2 THR 85 -1.175 10.030 -13.931 546 HG23 THR 85 3HG2 THR 85 -2.210 9.367 -12.667 547 H CYS 86 H CYS 86 -0.392 6.772 -10.527 548 HA CYS 86 HA CYS 86 1.990 5.086 -10.888 549 HB2 CYS 86 1HB CYS 86 0.749 5.976 -8.282 550 HB3 CYS 86 2HB CYS 86 1.878 4.631 -8.401 551 HG CYS 86 HG CYS 86 4.083 6.034 -8.852 552 H SER 87 H SER 87 1.674 2.886 -10.735 553 HA SER 87 HA SER 87 -1.093 1.977 -10.307 554 HB2 SER 87 1HB SER 87 -0.610 2.043 -12.726 555 HB3 SER 87 2HB SER 87 0.784 0.995 -12.472 556 HG SER 87 HG SER 87 -0.767 -0.416 -12.968 557 H VAL 88 H VAL 88 -0.643 1.223 -8.246 558 HA VAL 88 HA VAL 88 1.546 -0.630 -7.823 559 HB VAL 88 HB VAL 88 -0.633 0.161 -5.888 560 HG11 VAL 88 1HG1 VAL 88 0.318 -1.674 -4.908 561 HG12 VAL 88 2HG1 VAL 88 1.881 -1.418 -5.687 562 HG13 VAL 88 3HG1 VAL 88 1.403 -0.417 -4.315 563 HG21 VAL 88 1HG2 VAL 88 0.946 1.788 -4.996 564 HG22 VAL 88 2HG2 VAL 88 2.114 1.360 -6.246 565 HG23 VAL 88 3HG2 VAL 88 0.589 2.129 -6.689 566 H SER 89 H SER 89 1.411 -2.787 -7.818 567 HA SER 89 HA SER 89 -1.272 -4.000 -7.970 568 HB2 SER 89 1HB SER 89 -0.057 -5.850 -9.270 569 HB3 SER 89 2HB SER 89 -0.308 -4.319 -10.107 570 HG SER 89 HG SER 89 2.074 -5.031 -8.737 571 H TYR 90 H TYR 90 -1.751 -5.552 -6.542 572 HA TYR 90 HA TYR 90 0.445 -6.684 -4.936 573 HB2 TYR 90 1HB TYR 90 -0.911 -6.575 -2.961 574 HB3 TYR 90 2HB TYR 90 -0.924 -4.978 -3.702 575 HD1 TYR 90 1HD TYR 90 -2.946 -4.131 -4.797 576 HD2 TYR 90 2HD TYR 90 -2.915 -7.909 -2.841 577 HE1 TYR 90 1HE TYR 90 -5.405 -4.150 -4.810 578 HE2 TYR 90 2HE TYR 90 -5.375 -7.939 -2.849 579 HH TYR 90 HH TYR 90 -7.244 -5.244 -3.450 580 H LEU 91 H LEU 91 0.279 -8.836 -4.344 581 HA LEU 91 HA LEU 91 -1.875 -10.346 -5.672 582 HB2 LEU 91 1HB LEU 91 1.048 -10.778 -5.487 583 HB3 LEU 91 2HB LEU 91 0.023 -12.209 -5.393 584 HG LEU 91 HG LEU 91 -0.398 -10.300 -7.642 585 HD11 LEU 91 1HD1 LEU 91 2.141 -11.296 -7.111 586 HD12 LEU 91 2HD1 LEU 91 1.554 -10.650 -8.643 587 HD13 LEU 91 3HD1 LEU 91 1.478 -12.384 -8.332 588 HD21 LEU 91 1HD2 LEU 91 -1.599 -12.604 -6.943 589 HD22 LEU 91 2HD2 LEU 91 -0.322 -13.228 -7.988 590 HD23 LEU 91 3HD2 LEU 91 -1.466 -12.037 -8.608 591 HA PRO 92 HA PRO 92 -2.722 -11.275 -1.335 592 HB2 PRO 92 1HB PRO 92 -5.204 -12.267 -1.812 593 HB3 PRO 92 2HB PRO 92 -4.866 -10.535 -1.704 594 HG2 PRO 92 1HG PRO 92 -5.182 -12.257 -4.133 595 HG3 PRO 92 2HG PRO 92 -5.820 -10.631 -3.823 596 HD2 PRO 92 1HD PRO 92 -3.613 -11.067 -5.330 597 HD3 PRO 92 2HD PRO 92 -3.818 -9.611 -4.335 598 H THR 93 H THR 93 -3.566 -13.315 -0.267 599 HA THR 93 HA THR 93 -2.705 -15.698 -1.773 600 HB THR 93 HB THR 93 -1.042 -15.039 -0.045 601 HG1 THR 93 1HG THR 93 -0.794 -17.139 -0.161 602 HG21 THR 93 1HG2 THR 93 -1.603 -14.537 2.061 603 HG22 THR 93 2HG2 THR 93 -2.590 -15.990 2.219 604 HG23 THR 93 3HG2 THR 93 -3.279 -14.527 1.515 605 H LYS 94 H LYS 94 -4.925 -14.291 0.519 606 HA LYS 94 HA LYS 94 -6.705 -16.584 0.144 607 HB2 LYS 94 1HB LYS 94 -6.140 -15.358 2.850 608 HB3 LYS 94 2HB LYS 94 -7.265 -16.667 2.514 609 HG2 LYS 94 1HG LYS 94 -5.550 -18.193 2.094 610 HG3 LYS 94 2HG LYS 94 -4.347 -16.919 1.882 611 HD2 LYS 94 1HD LYS 94 -3.894 -17.831 3.999 612 HD3 LYS 94 2HD LYS 94 -4.777 -16.339 4.330 613 HE2 LYS 94 1HE LYS 94 -5.850 -17.820 5.727 614 HE3 LYS 94 2HE LYS 94 -6.865 -17.906 4.288 615 HZ1 LYS 94 1HZ LYS 94 -4.632 -19.778 4.461 616 HZ2 LYS 94 2HZ LYS 94 -6.180 -19.998 3.816 617 HZ3 LYS 94 3HZ LYS 94 -5.947 -20.054 5.491 618 HA PRO 95 HA PRO 95 -9.740 -13.465 -0.489 619 HB2 PRO 95 1HB PRO 95 -11.981 -14.885 0.091 620 HB3 PRO 95 2HB PRO 95 -11.049 -15.124 -1.392 621 HG2 PRO 95 1HG PRO 95 -11.014 -16.714 1.144 622 HG3 PRO 95 2HG PRO 95 -11.008 -17.285 -0.535 623 HD2 PRO 95 1HD PRO 95 -8.762 -17.167 0.972 624 HD3 PRO 95 2HD PRO 95 -8.747 -16.914 -0.785 625 H GLY 96 H GLY 96 -9.430 -11.927 1.103 626 HA2 GLY 96 1HA GLY 96 -11.222 -12.153 3.406 627 HA3 GLY 96 2HA GLY 96 -9.521 -11.857 3.729 628 H GLU 97 H GLU 97 -9.166 -9.803 4.209 629 HA GLU 97 HA GLU 97 -10.332 -7.732 2.506 630 HB2 GLU 97 1HB GLU 97 -10.606 -7.888 5.503 631 HB3 GLU 97 2HB GLU 97 -10.757 -6.370 4.629 632 HG2 GLU 97 1HG GLU 97 -12.420 -8.761 3.928 633 HG3 GLU 97 2HG GLU 97 -12.893 -7.636 5.200 634 H TYR 98 H TYR 98 -8.828 -6.334 1.882 635 HA TYR 98 HA TYR 98 -6.405 -6.056 3.537 636 HB2 TYR 98 1HB TYR 98 -6.611 -5.873 0.525 637 HB3 TYR 98 2HB TYR 98 -5.140 -5.683 1.472 638 HD1 TYR 98 2HD TYR 98 -4.199 -7.650 2.686 639 HD2 TYR 98 1HD TYR 98 -7.440 -8.026 -0.044 640 HE1 TYR 98 2HE TYR 98 -3.786 -10.070 2.538 641 HE2 TYR 98 1HE TYR 98 -7.037 -10.447 -0.199 642 HH TYR 98 HH TYR 98 -5.498 -12.190 1.865 643 H PHE 99 H PHE 99 -6.130 -4.102 4.363 644 HA PHE 99 HA PHE 99 -7.572 -1.841 3.186 645 HB2 PHE 99 1HB PHE 99 -6.306 -2.264 5.893 646 HB3 PHE 99 2HB PHE 99 -6.922 -0.702 5.362 647 HD1 PHE 99 2HD PHE 99 -8.020 -4.256 5.635 648 HD2 PHE 99 1HD PHE 99 -9.080 -0.143 5.908 649 HE1 PHE 99 2HE PHE 99 -10.271 -4.891 6.398 650 HE2 PHE 99 1HE PHE 99 -11.333 -0.771 6.672 651 HZ PHE 99 HZ PHE 99 -11.931 -3.148 6.917 652 H VAL 100 H VAL 100 -6.442 -0.772 1.699 653 HA VAL 100 HA VAL 100 -3.558 -0.660 1.769 654 HB VAL 100 HB VAL 100 -5.459 0.761 -0.101 655 HG11 VAL 100 1HG1 VAL 100 -2.597 0.815 0.224 656 HG12 VAL 100 2HG1 VAL 100 -3.036 0.200 -1.370 657 HG13 VAL 100 3HG1 VAL 100 -3.624 1.776 -0.840 658 HG21 VAL 100 1HG2 VAL 100 -5.106 -1.966 0.155 659 HG22 VAL 100 2HG2 VAL 100 -5.734 -1.126 -1.263 660 HG23 VAL 100 3HG2 VAL 100 -4.020 -1.528 -1.164 661 H ASN 101 H ASN 101 -2.713 0.625 3.302 662 HA ASN 101 HA ASN 101 -3.948 3.110 4.068 663 HB2 ASN 101 1HB ASN 101 -1.301 1.867 4.845 664 HB3 ASN 101 2HB ASN 101 -1.959 3.339 5.554 665 HD21 ASN 101 1HD2 ASN 101 -2.632 -0.083 5.038 666 HD22 ASN 101 2HD2 ASN 101 -3.572 -0.298 6.472 667 H ILE 102 H ILE 102 -3.844 4.779 2.709 668 HA ILE 102 HA ILE 102 -1.323 5.273 1.273 669 HB ILE 102 HB ILE 102 -4.101 6.284 0.653 670 HG12 ILE 102 1HG1 ILE 102 -2.369 4.362 -0.911 671 HG13 ILE 102 2HG1 ILE 102 -3.641 3.852 0.193 672 HG21 ILE 102 1HG2 ILE 102 -3.221 7.773 -0.746 673 HG22 ILE 102 2HG2 ILE 102 -1.663 7.448 0.014 674 HG23 ILE 102 3HG2 ILE 102 -2.133 6.573 -1.444 675 HD11 ILE 102 1HD1 ILE 102 -3.814 4.875 -2.530 676 HD12 ILE 102 2HD1 ILE 102 -4.940 3.872 -1.615 677 HD13 ILE 102 3HD1 ILE 102 -4.954 5.624 -1.411 678 H LEU 103 H LEU 103 -0.079 6.716 2.261 679 HA LEU 103 HA LEU 103 -1.329 9.169 3.289 680 HB2 LEU 103 1HB LEU 103 0.704 8.992 4.989 681 HB3 LEU 103 2HB LEU 103 -0.881 8.301 5.327 682 HG LEU 103 HG LEU 103 0.212 6.159 4.223 683 HD11 LEU 103 1HD1 LEU 103 2.570 7.713 5.273 684 HD12 LEU 103 2HD1 LEU 103 2.311 7.159 3.619 685 HD13 LEU 103 3HD1 LEU 103 2.585 5.987 4.908 686 HD21 LEU 103 1HD2 LEU 103 1.114 6.755 7.000 687 HD22 LEU 103 2HD2 LEU 103 0.377 5.294 6.342 688 HD23 LEU 103 3HD2 LEU 103 -0.614 6.721 6.647 689 H PHE 104 H PHE 104 -0.393 10.990 2.605 690 HA PHE 104 HA PHE 104 2.108 10.754 1.091 691 HB2 PHE 104 1HB PHE 104 -0.158 11.821 0.226 692 HB3 PHE 104 2HB PHE 104 0.458 13.242 1.063 693 HD1 PHE 104 1HD PHE 104 2.169 10.616 -0.953 694 HD2 PHE 104 2HD PHE 104 1.201 14.738 -0.518 695 HE1 PHE 104 1HE PHE 104 3.574 11.148 -2.902 696 HE2 PHE 104 2HE PHE 104 2.604 15.277 -2.466 697 HZ PHE 104 HZ PHE 104 3.792 13.481 -3.661 698 H GLU 105 H GLU 105 3.888 11.243 2.182 699 HA GLU 105 HA GLU 105 5.365 12.280 3.566 700 HB2 GLU 105 1HB GLU 105 3.445 14.517 2.980 701 HB3 GLU 105 2HB GLU 105 4.801 14.753 4.074 702 HG2 GLU 105 1HG GLU 105 6.138 13.712 2.039 703 HG3 GLU 105 2HG GLU 105 4.772 14.368 1.139 704 H GLU 106 H GLU 106 3.496 10.635 4.798 705 HA GLU 106 HA GLU 106 2.901 10.048 6.923 706 HB2 GLU 106 1HB GLU 106 3.818 12.756 7.872 707 HB3 GLU 106 2HB GLU 106 3.696 11.266 8.797 708 HG2 GLU 106 1HG GLU 106 5.456 10.436 7.011 709 HG3 GLU 106 2HG GLU 106 5.796 12.162 6.906 710 H VAL 107 H VAL 107 1.195 11.532 5.033 711 HA VAL 107 HA VAL 107 -0.789 12.508 6.978 712 HB VAL 107 HB VAL 107 -0.525 13.673 4.214 713 HG11 VAL 107 1HG1 VAL 107 -2.451 14.632 4.765 714 HG12 VAL 107 2HG1 VAL 107 -2.380 13.941 6.388 715 HG13 VAL 107 3HG1 VAL 107 -1.609 15.492 6.054 716 HG21 VAL 107 1HG2 VAL 107 0.543 14.943 6.725 717 HG22 VAL 107 2HG2 VAL 107 1.552 14.016 5.614 718 HG23 VAL 107 3HG2 VAL 107 0.748 15.484 5.058 719 H HIS 108 H HIS 108 -2.341 11.017 6.996 720 HA HIS 108 HA HIS 108 -2.889 9.186 4.949 721 HB2 HIS 108 1HB HIS 108 -4.263 10.052 7.441 722 HB3 HIS 108 2HB HIS 108 -5.221 9.165 6.259 723 HD1 HIS 108 1HD HIS 108 -4.965 6.678 6.233 724 HD2 HIS 108 2HD HIS 108 -1.953 8.560 8.390 725 HE1 HIS 108 1HE HIS 108 -3.673 4.826 7.340 726 HE2 HIS 108 2HE HIS 108 -1.909 5.993 8.708 727 H ILE 109 H ILE 109 -3.781 9.491 3.028 728 HA ILE 109 HA ILE 109 -4.969 11.941 2.248 729 HB ILE 109 HB ILE 109 -5.426 10.887 0.122 730 HG12 ILE 109 1HG1 ILE 109 -4.405 8.243 1.058 731 HG13 ILE 109 2HG1 ILE 109 -6.075 8.664 1.422 732 HG21 ILE 109 1HG2 ILE 109 -2.835 10.708 1.440 733 HG22 ILE 109 2HG2 ILE 109 -2.994 9.610 0.070 734 HG23 ILE 109 3HG2 ILE 109 -3.256 11.339 -0.152 735 HD11 ILE 109 1HD1 ILE 109 -5.677 7.337 -0.683 736 HD12 ILE 109 2HD1 ILE 109 -6.635 8.808 -0.858 737 HD13 ILE 109 3HD1 ILE 109 -4.943 8.793 -1.353 738 HA PRO 110 HA PRO 110 -9.195 11.413 3.319 739 HB2 PRO 110 1HB PRO 110 -10.399 12.788 1.311 740 HB3 PRO 110 2HB PRO 110 -9.510 13.578 2.619 741 HG2 PRO 110 1HG PRO 110 -8.616 12.946 -0.167 742 HG3 PRO 110 2HG PRO 110 -8.364 14.423 0.781 743 HD2 PRO 110 1HD PRO 110 -6.447 12.533 0.493 744 HD3 PRO 110 2HD PRO 110 -6.605 13.515 1.963 745 H GLY 111 H GLY 111 -9.120 9.075 2.880 746 HA2 GLY 111 1HA GLY 111 -11.188 8.019 1.553 747 HA3 GLY 111 2HA GLY 111 -10.014 8.197 0.258 748 H SER 112 H SER 112 -7.981 7.719 2.607 749 HA SER 112 HA SER 112 -8.029 4.798 2.298 750 HB2 SER 112 1HB SER 112 -5.729 4.802 2.314 751 HB3 SER 112 2HB SER 112 -6.012 6.415 1.661 752 HG SER 112 HG SER 112 -5.258 5.662 4.270 753 HA PRO 113 HA PRO 113 -6.473 3.250 3.270 754 HB2 PRO 113 1HB PRO 113 -7.422 0.950 4.355 755 HB3 PRO 113 2HB PRO 113 -6.020 1.811 5.002 756 HG2 PRO 113 1HG PRO 113 -8.862 1.841 5.943 757 HG3 PRO 113 2HG PRO 113 -7.369 1.751 6.896 758 HD2 PRO 113 1HD PRO 113 -8.757 4.054 6.577 759 HD3 PRO 113 2HD PRO 113 -6.990 4.020 6.750 760 H PHE 114 H PHE 114 -7.355 1.412 1.910 761 HA PHE 114 HA PHE 114 -10.180 1.918 1.242 762 HB2 PHE 114 1HB PHE 114 -7.811 1.455 -0.562 763 HB3 PHE 114 2HB PHE 114 -9.466 1.236 -1.122 764 HD1 PHE 114 1HD PHE 114 -7.048 3.695 0.182 765 HD2 PHE 114 2HD PHE 114 -10.833 3.084 -1.668 766 HE1 PHE 114 1HE PHE 114 -7.198 6.104 -0.299 767 HE2 PHE 114 2HE PHE 114 -10.988 5.492 -2.153 768 HZ PHE 114 HZ PHE 114 -9.169 7.005 -1.469 769 H LYS 115 H LYS 115 -11.034 0.204 2.377 770 HA LYS 115 HA LYS 115 -10.025 -2.391 2.503 771 HB2 LYS 115 1HB LYS 115 -11.854 -1.456 3.929 772 HB3 LYS 115 2HB LYS 115 -12.942 -1.599 2.554 773 HG2 LYS 115 1HG LYS 115 -12.629 -4.011 2.536 774 HG3 LYS 115 2HG LYS 115 -11.500 -3.884 3.887 775 HD2 LYS 115 1HD LYS 115 -13.570 -4.511 4.835 776 HD3 LYS 115 2HD LYS 115 -13.387 -2.789 5.179 777 HE2 LYS 115 1HE LYS 115 -14.719 -2.463 2.981 778 HE3 LYS 115 2HE LYS 115 -15.188 -4.147 3.209 779 HZ1 LYS 115 1HZ LYS 115 -15.541 -2.855 5.645 780 HZ2 LYS 115 2HZ LYS 115 -16.736 -3.455 4.610 781 HZ3 LYS 115 3HZ LYS 115 -16.221 -1.850 4.466 782 H ALA 116 H ALA 116 -9.746 -3.873 0.983 783 HA ALA 116 HA ALA 116 -11.476 -3.785 -1.403 784 HB1 ALA 116 1HB ALA 116 -9.116 -5.252 -1.957 785 HB2 ALA 116 2HB ALA 116 -9.642 -3.716 -2.645 786 HB3 ALA 116 3HB ALA 116 -8.644 -3.735 -1.191 787 H ASP 117 H ASP 117 -12.979 -5.319 -1.162 788 HA ASP 117 HA ASP 117 -12.504 -7.743 0.291 789 HB2 ASP 117 1HB ASP 117 -14.734 -6.416 -0.067 790 HB3 ASP 117 2HB ASP 117 -14.844 -7.369 -1.544 791 H ILE 118 H ILE 118 -11.344 -9.361 -0.502 792 HA ILE 118 HA ILE 118 -11.240 -9.784 -3.396 793 HB ILE 118 HB ILE 118 -9.573 -11.004 -1.192 794 HG12 ILE 118 1HG1 ILE 118 -9.255 -8.542 -1.678 795 HG13 ILE 118 2HG1 ILE 118 -7.820 -9.539 -1.885 796 HG21 ILE 118 1HG2 ILE 118 -9.025 -12.561 -2.679 797 HG22 ILE 118 2HG2 ILE 118 -9.957 -11.760 -3.943 798 HG23 ILE 118 3HG2 ILE 118 -8.282 -11.291 -3.650 799 HD11 ILE 118 1HD1 ILE 118 -8.918 -7.752 -3.711 800 HD12 ILE 118 2HD1 ILE 118 -7.621 -8.914 -3.997 801 HD13 ILE 118 3HD1 ILE 118 -9.292 -9.354 -4.347 802 H GLU 119 H GLU 119 -11.814 -11.698 -4.378 803 HA GLU 119 HA GLU 119 -13.179 -13.678 -2.678 804 HB2 GLU 119 1HB GLU 119 -14.030 -12.719 -5.416 805 HB3 GLU 119 2HB GLU 119 -14.798 -14.018 -4.514 806 HG2 GLU 119 1HG GLU 119 -15.532 -12.504 -2.821 807 HG3 GLU 119 2HG GLU 119 -14.594 -11.187 -3.523 808 H MET 120 H MET 120 -13.466 -15.815 -3.832 809 HA MET 120 HA MET 120 -10.895 -16.625 -4.868 810 HB2 MET 120 1HB MET 120 -13.370 -18.035 -3.961 811 HB3 MET 120 2HB MET 120 -12.222 -18.901 -4.974 812 HG2 MET 120 1HG MET 120 -11.295 -17.476 -2.519 813 HG3 MET 120 2HG MET 120 -12.037 -19.070 -2.406 814 HE1 MET 120 1HE MET 120 -8.471 -19.164 -1.576 815 HE2 MET 120 2HE MET 120 -10.137 -19.536 -1.132 816 HE3 MET 120 3HE MET 120 -9.132 -20.767 -1.898 817 HA PRO 121 HA PRO 121 -11.984 -16.324 -9.136 818 HB2 PRO 121 1HB PRO 121 -10.001 -17.883 -10.138 819 HB3 PRO 121 2HB PRO 121 -9.723 -16.243 -9.541 820 HG2 PRO 121 1HG PRO 121 -9.252 -18.863 -8.171 821 HG3 PRO 121 2HG PRO 121 -8.224 -17.419 -8.208 822 HD2 PRO 121 1HD PRO 121 -9.814 -18.021 -6.101 823 HD3 PRO 121 2HD PRO 121 -9.450 -16.350 -6.576 824 H PHE 122 H PHE 122 -13.146 -17.462 -10.626 825 HA PHE 122 HA PHE 122 -14.231 -19.990 -9.806 826 HB2 PHE 122 1HB PHE 122 -15.631 -19.808 -11.799 827 HB3 PHE 122 2HB PHE 122 -15.619 -18.283 -10.920 828 HD1 PHE 122 1HD PHE 122 -14.373 -16.356 -11.799 829 HD2 PHE 122 2HD PHE 122 -14.740 -19.981 -13.998 830 HE1 PHE 122 1HE PHE 122 -13.684 -15.179 -13.847 831 HE2 PHE 122 2HE PHE 122 -14.050 -18.811 -16.050 832 HZ PHE 122 HZ PHE 122 -13.520 -16.407 -15.976 833 H ASP 123 H ASP 123 -14.358 -21.851 -11.318 834 HA ASP 123 HA ASP 123 -11.698 -22.445 -12.332 835 HB2 ASP 123 1HB ASP 123 -12.898 -24.749 -12.730 836 HB3 ASP 123 2HB ASP 123 -12.440 -24.256 -11.103 837 HA PRO 124 HA PRO 124 -12.691 -21.755 -16.564 838 HB2 PRO 124 1HB PRO 124 -10.808 -23.342 -17.707 839 HB3 PRO 124 2HB PRO 124 -10.425 -21.794 -16.944 840 HG2 PRO 124 1HG PRO 124 -10.156 -24.566 -15.845 841 HG3 PRO 124 2HG PRO 124 -9.029 -23.201 -15.728 842 HD2 PRO 124 1HD PRO 124 -10.686 -23.900 -13.704 843 HD3 PRO 124 2HD PRO 124 -10.201 -22.219 -14.004 844 H SER 125 H SER 125 -13.295 -24.594 -14.946 845 HA SER 125 HA SER 125 -13.668 -26.659 -16.592 846 HB2 SER 125 1HB SER 125 -14.613 -26.164 -14.165 847 HB3 SER 125 2HB SER 125 -16.104 -25.858 -15.056 848 HG SER 125 HG SER 125 -15.780 -28.076 -14.344 849 H SER 126 H SER 126 -14.285 -26.770 -18.639 850 HA SER 126 HA SER 126 -16.284 -24.904 -19.663 851 HB2 SER 126 1HB SER 126 -14.169 -25.203 -20.917 852 HB3 SER 126 2HB SER 126 -14.568 -26.905 -21.154 853 HG SER 126 HG SER 126 -15.143 -25.464 -22.923 854 H GLY 127 H GLY 127 -17.866 -25.820 -21.294 855 HA2 GLY 127 1HA GLY 127 -19.255 -27.615 -22.016 856 HA3 GLY 127 2HA GLY 127 -18.741 -28.538 -20.611 857 HA PRO 128 HA PRO 128 -22.776 -25.979 -19.957 858 HB2 PRO 128 1HB PRO 128 -24.664 -27.688 -20.898 859 HB3 PRO 128 2HB PRO 128 -23.931 -26.425 -21.893 860 HG2 PRO 128 1HG PRO 128 -23.285 -29.345 -21.760 861 HG3 PRO 128 2HG PRO 128 -23.435 -28.295 -23.182 862 HD2 PRO 128 1HD PRO 128 -21.039 -28.989 -22.128 863 HD3 PRO 128 2HD PRO 128 -21.318 -27.423 -22.916 864 H SER 129 H SER 129 -22.659 -29.548 -19.966 865 HA SER 129 HA SER 129 -22.897 -31.072 -18.287 866 HB2 SER 129 1HB SER 129 -21.464 -29.306 -17.039 867 HB3 SER 129 2HB SER 129 -22.977 -28.855 -16.254 868 HG SER 129 HG SER 129 -21.362 -30.932 -15.732 869 H SER 130 H SER 130 -25.143 -29.984 -19.638 870 HA SER 130 HA SER 130 -27.198 -30.054 -17.527 871 HB2 SER 130 1HB SER 130 -27.410 -28.884 -20.312 872 HB3 SER 130 2HB SER 130 -28.669 -28.856 -19.078 873 HG SER 130 HG SER 130 -26.335 -27.358 -19.281 874 H GLY 131 H GLY 131 -27.998 -32.047 -17.354 875 HA2 GLY 131 1HA GLY 131 -29.615 -33.289 -19.158 876 HA3 GLY 131 2HA GLY 131 -28.014 -33.885 -19.571 Start of MODEL 3 1 H1 GLY 1 H GLY 1 19.947 41.641 -73.998 2 HA2 GLY 1 1HA GLY 1 22.011 41.448 -72.114 3 HA3 GLY 1 2HA GLY 1 20.934 42.739 -71.601 4 H SER 2 H SER 2 21.114 40.792 -69.863 5 HA SER 2 HA SER 2 18.484 39.749 -69.700 6 HB2 SER 2 1HB SER 2 18.861 37.409 -69.945 7 HB3 SER 2 2HB SER 2 19.581 38.168 -71.365 8 HG SER 2 HG SER 2 21.543 38.149 -69.788 9 H SER 3 H SER 3 18.308 38.183 -67.783 10 HA SER 3 HA SER 3 20.412 38.322 -65.823 11 HB2 SER 3 1HB SER 3 19.223 40.575 -65.713 12 HB3 SER 3 2HB SER 3 17.814 39.693 -65.123 13 HG SER 3 HG SER 3 18.919 40.303 -63.329 14 H GLY 4 H GLY 4 19.547 37.421 -63.648 15 HA2 GLY 4 1HA GLY 4 17.607 35.275 -64.254 16 HA3 GLY 4 2HA GLY 4 19.058 35.000 -63.303 17 H SER 5 H SER 5 16.616 34.294 -62.296 18 HA SER 5 HA SER 5 16.574 35.716 -59.838 19 HB2 SER 5 1HB SER 5 14.500 36.830 -59.925 20 HB3 SER 5 2HB SER 5 15.259 37.223 -61.467 21 HG SER 5 HG SER 5 13.035 36.541 -61.627 22 H SER 6 H SER 6 15.064 34.795 -58.295 23 HA SER 6 HA SER 6 13.883 32.237 -59.113 24 HB2 SER 6 1HB SER 6 15.992 32.679 -57.041 25 HB3 SER 6 2HB SER 6 14.774 31.437 -56.755 26 HG SER 6 HG SER 6 16.920 31.122 -58.122 27 H GLY 7 H GLY 7 12.509 31.316 -57.275 28 HA2 GLY 7 1HA GLY 7 11.480 33.183 -55.346 29 HA3 GLY 7 2HA GLY 7 10.390 32.938 -56.703 30 H ASP 8 H ASP 8 9.733 32.303 -54.051 31 HA ASP 8 HA ASP 8 8.755 29.682 -54.360 32 HB2 ASP 8 1HB ASP 8 11.301 29.410 -53.760 33 HB3 ASP 8 2HB ASP 8 10.745 29.758 -52.125 34 H VAL 9 H VAL 9 7.501 28.960 -52.497 35 HA VAL 9 HA VAL 9 6.516 31.254 -50.965 36 HB VAL 9 HB VAL 9 5.289 28.524 -51.380 37 HG11 VAL 9 1HG1 VAL 9 4.453 30.903 -49.775 38 HG12 VAL 9 2HG1 VAL 9 3.235 29.842 -50.486 39 HG13 VAL 9 3HG1 VAL 9 4.416 29.193 -49.346 40 HG21 VAL 9 1HG2 VAL 9 5.271 29.801 -53.422 41 HG22 VAL 9 2HG2 VAL 9 3.641 29.774 -52.749 42 HG23 VAL 9 3HG2 VAL 9 4.643 31.216 -52.577 43 H THR 10 H THR 10 6.581 31.365 -48.783 44 HA THR 10 HA THR 10 7.219 29.046 -47.175 45 HB THR 10 HB THR 10 9.126 31.393 -47.198 46 HG1 THR 10 1HG THR 10 9.203 28.836 -48.380 47 HG21 THR 10 1HG2 THR 10 9.068 30.539 -45.000 48 HG22 THR 10 2HG2 THR 10 10.471 29.778 -45.750 49 HG23 THR 10 3HG2 THR 10 8.969 28.872 -45.564 50 H TYR 11 H TYR 11 6.735 29.315 -44.997 51 HA TYR 11 HA TYR 11 6.110 31.870 -43.874 52 HB2 TYR 11 1HB TYR 11 3.693 31.334 -43.448 53 HB3 TYR 11 2HB TYR 11 4.079 31.671 -45.132 54 HD1 TYR 11 2HD TYR 11 4.484 29.635 -46.665 55 HD2 TYR 11 1HD TYR 11 2.569 29.373 -42.875 56 HE1 TYR 11 2HE TYR 11 3.475 27.493 -47.330 57 HE2 TYR 11 1HE TYR 11 1.555 27.230 -43.529 58 HH TYR 11 HH TYR 11 2.000 25.395 -45.129 59 H ASP 12 H ASP 12 6.444 31.774 -41.748 60 HA ASP 12 HA ASP 12 5.714 29.509 -40.157 61 HB2 ASP 12 1HB ASP 12 8.601 29.985 -40.857 62 HB3 ASP 12 2HB ASP 12 8.150 29.221 -39.335 63 H GLY 13 H GLY 13 4.893 30.485 -38.432 64 HA2 GLY 13 1HA GLY 13 6.509 32.332 -36.902 65 HA3 GLY 13 2HA GLY 13 5.080 33.056 -37.624 66 H HIS 14 H HIS 14 6.272 30.792 -35.252 67 HA HIS 14 HA HIS 14 3.738 31.013 -33.824 68 HB2 HIS 14 1HB HIS 14 3.659 28.584 -33.391 69 HB3 HIS 14 2HB HIS 14 3.487 28.954 -35.104 70 HD1 HIS 14 1HD HIS 14 5.631 27.162 -32.689 71 HD2 HIS 14 2HD HIS 14 5.761 28.265 -36.692 72 HE1 HIS 14 1HE HIS 14 7.484 25.797 -33.702 73 HE2 HIS 14 2HE HIS 14 7.600 26.544 -36.105 74 HA PRO 15 HA PRO 15 6.410 31.477 -30.362 75 HB2 PRO 15 1HB PRO 15 4.685 30.818 -28.372 76 HB3 PRO 15 2HB PRO 15 4.591 32.344 -29.259 77 HG2 PRO 15 1HG PRO 15 3.003 29.835 -29.634 78 HG3 PRO 15 2HG PRO 15 2.451 31.520 -29.642 79 HD2 PRO 15 1HD PRO 15 2.872 30.113 -31.917 80 HD3 PRO 15 2HD PRO 15 3.138 31.866 -31.815 81 H VAL 16 H VAL 16 8.004 30.114 -29.875 82 HA VAL 16 HA VAL 16 7.982 27.364 -30.077 83 HB VAL 16 HB VAL 16 10.008 27.348 -28.687 84 HG11 VAL 16 1HG1 VAL 16 9.595 29.168 -30.957 85 HG12 VAL 16 2HG1 VAL 16 11.068 29.451 -30.026 86 HG13 VAL 16 3HG1 VAL 16 10.765 27.867 -30.741 87 HG21 VAL 16 1HG2 VAL 16 9.085 29.116 -27.099 88 HG22 VAL 16 2HG2 VAL 16 10.798 29.220 -27.506 89 HG23 VAL 16 3HG2 VAL 16 9.641 30.302 -28.280 90 HA PRO 17 HA PRO 17 5.730 25.881 -26.597 91 HB2 PRO 17 1HB PRO 17 6.813 23.398 -26.410 92 HB3 PRO 17 2HB PRO 17 5.677 23.857 -27.684 93 HG2 PRO 17 1HG PRO 17 8.664 23.684 -27.782 94 HG3 PRO 17 2HG PRO 17 7.472 23.144 -28.979 95 HD2 PRO 17 1HD PRO 17 8.842 25.466 -29.231 96 HD3 PRO 17 2HD PRO 17 7.184 25.265 -29.833 97 H GLY 18 H GLY 18 5.982 25.215 -24.388 98 HA2 GLY 18 1HA GLY 18 8.109 26.488 -23.044 99 HA3 GLY 18 2HA GLY 18 6.943 25.396 -22.312 100 H SER 19 H SER 19 10.112 25.852 -22.641 101 HA SER 19 HA SER 19 11.092 23.324 -23.450 102 HB2 SER 19 1HB SER 19 12.325 25.502 -21.753 103 HB3 SER 19 2HB SER 19 13.198 24.062 -22.278 104 HG SER 19 HG SER 19 13.390 26.006 -23.638 105 HA PRO 20 HA PRO 20 10.255 20.829 -19.924 106 HB2 PRO 20 1HB PRO 20 12.195 18.958 -20.247 107 HB3 PRO 20 2HB PRO 20 10.753 19.032 -21.265 108 HG2 PRO 20 1HG PRO 20 13.516 20.043 -21.818 109 HG3 PRO 20 2HG PRO 20 12.407 19.172 -22.894 110 HD2 PRO 20 1HD PRO 20 12.745 21.856 -23.013 111 HD3 PRO 20 2HD PRO 20 11.198 21.070 -23.391 112 H TYR 21 H TYR 21 13.003 22.729 -20.262 113 HA TYR 21 HA TYR 21 14.389 21.801 -17.904 114 HB2 TYR 21 1HB TYR 21 14.843 24.343 -19.476 115 HB3 TYR 21 2HB TYR 21 15.956 23.590 -18.340 116 HD1 TYR 21 1HD TYR 21 16.400 20.975 -18.979 117 HD2 TYR 21 2HD TYR 21 15.370 24.082 -21.698 118 HE1 TYR 21 1HE TYR 21 17.417 19.696 -20.817 119 HE2 TYR 21 2HE TYR 21 16.382 22.810 -23.543 120 HH TYR 21 HH TYR 21 18.027 21.059 -23.887 121 H THR 22 H THR 22 11.884 22.287 -17.103 122 HA THR 22 HA THR 22 11.981 24.909 -15.765 123 HB THR 22 HB THR 22 9.533 24.642 -15.420 124 HG1 THR 22 1HG THR 22 9.800 22.430 -17.200 125 HG21 THR 22 1HG2 THR 22 10.043 26.006 -17.243 126 HG22 THR 22 2HG2 THR 22 8.952 24.805 -17.933 127 HG23 THR 22 3HG2 THR 22 10.691 24.665 -18.187 128 H VAL 23 H VAL 23 11.508 25.049 -13.552 129 HA VAL 23 HA VAL 23 12.178 22.646 -12.055 130 HB VAL 23 HB VAL 23 11.594 25.218 -10.676 131 HG11 VAL 23 1HG1 VAL 23 13.955 23.405 -10.313 132 HG12 VAL 23 2HG1 VAL 23 13.197 24.490 -9.145 133 HG13 VAL 23 3HG1 VAL 23 12.380 23.004 -9.631 134 HG21 VAL 23 1HG2 VAL 23 12.827 26.226 -12.344 135 HG22 VAL 23 2HG2 VAL 23 14.090 25.775 -11.199 136 HG23 VAL 23 3HG2 VAL 23 13.809 24.790 -12.634 137 H GLU 24 H GLU 24 9.635 22.599 -13.285 138 HA GLU 24 HA GLU 24 7.514 23.381 -11.642 139 HB2 GLU 24 1HB GLU 24 7.612 22.324 -14.074 140 HB3 GLU 24 2HB GLU 24 7.306 20.838 -13.185 141 HG2 GLU 24 1HG GLU 24 5.404 22.323 -12.095 142 HG3 GLU 24 2HG GLU 24 5.554 23.186 -13.624 143 H ALA 25 H ALA 25 9.913 21.117 -11.048 144 HA ALA 25 HA ALA 25 8.316 19.326 -9.431 145 HB1 ALA 25 1HB ALA 25 10.761 19.120 -10.727 146 HB2 ALA 25 2HB ALA 25 11.170 19.121 -9.011 147 HB3 ALA 25 3HB ALA 25 10.035 17.930 -9.646 148 H SER 26 H SER 26 8.552 22.253 -8.800 149 HA SER 26 HA SER 26 9.666 22.017 -6.082 150 HB2 SER 26 1HB SER 26 10.556 23.772 -7.834 151 HB3 SER 26 2HB SER 26 9.120 24.674 -7.352 152 HG SER 26 HG SER 26 11.452 24.369 -6.042 153 H LEU 27 H LEU 27 7.227 20.960 -6.321 154 HA LEU 27 HA LEU 27 5.408 23.029 -5.273 155 HB2 LEU 27 1HB LEU 27 4.870 20.560 -6.891 156 HB3 LEU 27 2HB LEU 27 3.604 21.341 -5.946 157 HG LEU 27 HG LEU 27 5.167 22.699 -8.139 158 HD11 LEU 27 1HD1 LEU 27 2.991 20.816 -8.279 159 HD12 LEU 27 2HD1 LEU 27 3.918 21.563 -9.580 160 HD13 LEU 27 3HD1 LEU 27 2.509 22.390 -8.915 161 HD21 LEU 27 1HD2 LEU 27 2.626 23.493 -6.721 162 HD22 LEU 27 2HD2 LEU 27 3.451 24.400 -7.989 163 HD23 LEU 27 3HD2 LEU 27 4.221 24.183 -6.416 164 HA PRO 28 HA PRO 28 5.394 20.875 -1.435 165 HB2 PRO 28 1HB PRO 28 3.016 21.746 -0.458 166 HB3 PRO 28 2HB PRO 28 4.453 22.772 -0.545 167 HG2 PRO 28 1HG PRO 28 2.107 22.636 -2.399 168 HG3 PRO 28 2HG PRO 28 2.959 24.061 -1.776 169 HD2 PRO 28 1HD PRO 28 3.396 23.073 -4.259 170 HD3 PRO 28 2HD PRO 28 4.669 23.865 -3.308 171 HA PRO 29 HA PRO 29 3.096 17.153 -1.966 172 HB2 PRO 29 1HB PRO 29 2.999 16.294 0.608 173 HB3 PRO 29 2HB PRO 29 4.472 16.240 -0.369 174 HG2 PRO 29 1HG PRO 29 3.635 18.248 1.688 175 HG3 PRO 29 2HG PRO 29 5.225 17.506 1.431 176 HD2 PRO 29 1HD PRO 29 4.623 19.997 0.559 177 HD3 PRO 29 2HD PRO 29 5.750 18.930 -0.303 178 H ASP 30 H ASP 30 1.000 17.278 -2.493 179 HA ASP 30 HA ASP 30 -0.903 18.182 -0.432 180 HB2 ASP 30 1HB ASP 30 -0.880 18.552 -3.410 181 HB3 ASP 30 2HB ASP 30 -2.404 18.573 -2.528 182 HA PRO 31 HA PRO 31 -1.878 13.758 -0.918 183 HB2 PRO 31 1HB PRO 31 -2.971 13.520 1.556 184 HB3 PRO 31 2HB PRO 31 -1.230 13.434 1.263 185 HG2 PRO 31 1HG PRO 31 -2.877 15.739 2.232 186 HG3 PRO 31 2HG PRO 31 -1.297 15.174 2.805 187 HD2 PRO 31 1HD PRO 31 -1.571 17.290 1.139 188 HD3 PRO 31 2HD PRO 31 -0.163 16.210 1.087 189 H SER 32 H SER 32 -3.873 16.455 0.130 190 HA SER 32 HA SER 32 -6.380 15.232 0.090 191 HB2 SER 32 1HB SER 32 -5.764 17.589 0.885 192 HB3 SER 32 2HB SER 32 -5.906 18.074 -0.804 193 HG SER 32 HG SER 32 -7.841 18.178 0.704 194 H LYS 33 H LYS 33 -4.244 15.890 -2.468 195 HA LYS 33 HA LYS 33 -6.355 15.851 -4.490 196 HB2 LYS 33 1HB LYS 33 -3.365 16.215 -4.761 197 HB3 LYS 33 2HB LYS 33 -4.515 16.288 -6.090 198 HG2 LYS 33 1HG LYS 33 -4.730 18.107 -3.715 199 HG3 LYS 33 2HG LYS 33 -3.707 18.491 -5.102 200 HD2 LYS 33 1HD LYS 33 -6.619 17.796 -5.392 201 HD3 LYS 33 2HD LYS 33 -6.067 19.448 -5.108 202 HE2 LYS 33 1HE LYS 33 -4.974 17.776 -7.349 203 HE3 LYS 33 2HE LYS 33 -6.454 18.715 -7.531 204 HZ1 LYS 33 1HZ LYS 33 -3.719 19.598 -7.483 205 HZ2 LYS 33 2HZ LYS 33 -4.726 20.503 -6.470 206 HZ3 LYS 33 3HZ LYS 33 -5.090 20.361 -8.116 207 H VAL 34 H VAL 34 -3.809 13.874 -3.158 208 HA VAL 34 HA VAL 34 -3.652 11.942 -5.205 209 HB VAL 34 HB VAL 34 -3.123 11.632 -2.246 210 HG11 VAL 34 1HG1 VAL 34 -2.043 9.899 -4.451 211 HG12 VAL 34 2HG1 VAL 34 -2.009 9.613 -2.710 212 HG13 VAL 34 3HG1 VAL 34 -3.533 9.511 -3.591 213 HG21 VAL 34 1HG2 VAL 34 -1.319 12.872 -2.622 214 HG22 VAL 34 2HG2 VAL 34 -0.743 11.637 -3.742 215 HG23 VAL 34 3HG2 VAL 34 -1.708 12.988 -4.339 216 H LYS 35 H LYS 35 -5.491 11.038 -5.939 217 HA LYS 35 HA LYS 35 -7.274 9.775 -3.961 218 HB2 LYS 35 1HB LYS 35 -7.819 11.197 -6.526 219 HB3 LYS 35 2HB LYS 35 -8.876 9.865 -6.076 220 HG2 LYS 35 1HG LYS 35 -9.040 11.109 -3.801 221 HG3 LYS 35 2HG LYS 35 -8.472 12.498 -4.731 222 HD2 LYS 35 1HD LYS 35 -10.357 11.926 -6.372 223 HD3 LYS 35 2HD LYS 35 -10.995 10.905 -5.081 224 HE2 LYS 35 1HE LYS 35 -10.325 13.810 -4.677 225 HE3 LYS 35 2HE LYS 35 -11.910 13.269 -5.227 226 HZ1 LYS 35 1HZ LYS 35 -11.659 11.725 -3.123 227 HZ2 LYS 35 2HZ LYS 35 -12.271 13.297 -3.002 228 HZ3 LYS 35 3HZ LYS 35 -10.657 12.985 -2.603 229 H ALA 36 H ALA 36 -7.921 7.666 -4.278 230 HA ALA 36 HA ALA 36 -6.506 6.211 -6.416 231 HB1 ALA 36 1HB ALA 36 -5.603 5.559 -4.310 232 HB2 ALA 36 2HB ALA 36 -7.212 5.333 -3.623 233 HB3 ALA 36 3HB ALA 36 -6.627 4.239 -4.876 234 H HIS 37 H HIS 37 -7.803 5.469 -7.950 235 HA HIS 37 HA HIS 37 -10.415 4.369 -7.206 236 HB2 HIS 37 1HB HIS 37 -11.330 5.451 -9.342 237 HB3 HIS 37 2HB HIS 37 -11.082 6.502 -7.951 238 HD1 HIS 37 1HD HIS 37 -9.887 5.862 -11.413 239 HD2 HIS 37 2HD HIS 37 -8.973 8.363 -8.223 240 HE1 HIS 37 1HE HIS 37 -8.382 7.640 -12.362 241 HE2 HIS 37 2HE HIS 37 -7.773 9.092 -10.396 242 H GLY 38 H GLY 38 -10.690 2.405 -8.036 243 HA2 GLY 38 1HA GLY 38 -10.324 1.566 -10.618 244 HA3 GLY 38 2HA GLY 38 -8.762 1.308 -9.854 245 HA PRO 39 HA PRO 39 -11.513 -2.418 -9.193 246 HB2 PRO 39 1HB PRO 39 -9.786 -4.222 -10.258 247 HB3 PRO 39 2HB PRO 39 -10.984 -3.353 -11.224 248 HG2 PRO 39 1HG PRO 39 -8.065 -2.789 -10.871 249 HG3 PRO 39 2HG PRO 39 -9.041 -2.752 -12.352 250 HD2 PRO 39 1HD PRO 39 -8.366 -0.508 -10.995 251 HD3 PRO 39 2HD PRO 39 -9.893 -0.661 -11.888 252 H GLY 40 H GLY 40 -7.960 -2.211 -8.932 253 HA2 GLY 40 1HA GLY 40 -7.489 -4.139 -7.032 254 HA3 GLY 40 2HA GLY 40 -6.567 -2.648 -7.155 255 H LEU 41 H LEU 41 -9.220 -1.200 -6.614 256 HA LEU 41 HA LEU 41 -8.909 -1.216 -3.720 257 HB2 LEU 41 1HB LEU 41 -10.655 0.566 -5.406 258 HB3 LEU 41 2HB LEU 41 -10.172 0.821 -3.730 259 HG LEU 41 HG LEU 41 -8.278 0.859 -6.078 260 HD11 LEU 41 1HD1 LEU 41 -8.252 3.290 -5.763 261 HD12 LEU 41 2HD1 LEU 41 -9.533 3.142 -4.560 262 HD13 LEU 41 3HD1 LEU 41 -9.846 2.704 -6.240 263 HD21 LEU 41 1HD2 LEU 41 -7.917 1.702 -3.204 264 HD22 LEU 41 2HD2 LEU 41 -6.714 1.831 -4.488 265 HD23 LEU 41 3HD2 LEU 41 -7.253 0.243 -3.939 266 H GLU 42 H GLU 42 -11.401 -1.793 -6.159 267 HA GLU 42 HA GLU 42 -13.507 -2.250 -4.305 268 HB2 GLU 42 1HB GLU 42 -14.829 -2.699 -6.134 269 HB3 GLU 42 2HB GLU 42 -13.558 -1.743 -6.884 270 HG2 GLU 42 1HG GLU 42 -12.458 -3.757 -7.655 271 HG3 GLU 42 2HG GLU 42 -13.667 -4.751 -6.844 272 H GLY 43 H GLY 43 -11.024 -4.260 -5.717 273 HA2 GLY 43 1HA GLY 43 -10.592 -6.186 -4.057 274 HA3 GLY 43 2HA GLY 43 -12.233 -6.646 -4.489 275 H GLY 44 H GLY 44 -10.634 -8.597 -4.946 276 HA2 GLY 44 1HA GLY 44 -10.536 -8.801 -7.819 277 HA3 GLY 44 2HA GLY 44 -8.947 -8.789 -7.069 278 H LEU 45 H LEU 45 -8.351 -10.866 -7.501 279 HA LEU 45 HA LEU 45 -9.906 -12.951 -6.128 280 HB2 LEU 45 1HB LEU 45 -8.603 -13.168 -8.838 281 HB3 LEU 45 2HB LEU 45 -9.307 -14.515 -7.946 282 HG LEU 45 HG LEU 45 -10.947 -12.126 -8.736 283 HD11 LEU 45 1HD1 LEU 45 -10.695 -14.640 -10.366 284 HD12 LEU 45 2HD1 LEU 45 -9.790 -13.169 -10.723 285 HD13 LEU 45 3HD1 LEU 45 -11.552 -13.154 -10.774 286 HD21 LEU 45 1HD2 LEU 45 -12.046 -14.857 -8.611 287 HD22 LEU 45 2HD2 LEU 45 -12.724 -13.330 -8.047 288 HD23 LEU 45 3HD2 LEU 45 -11.516 -14.171 -7.075 289 H VAL 46 H VAL 46 -8.728 -14.561 -5.125 290 HA VAL 46 HA VAL 46 -6.167 -13.906 -4.187 291 HB VAL 46 HB VAL 46 -7.519 -16.608 -4.195 292 HG11 VAL 46 1HG1 VAL 46 -5.447 -17.255 -3.571 293 HG12 VAL 46 2HG1 VAL 46 -4.968 -15.628 -3.082 294 HG13 VAL 46 3HG1 VAL 46 -5.957 -16.618 -2.007 295 HG21 VAL 46 1HG2 VAL 46 -7.434 -14.528 -2.014 296 HG22 VAL 46 2HG2 VAL 46 -8.800 -14.773 -3.103 297 HG23 VAL 46 3HG2 VAL 46 -8.313 -16.057 -1.996 298 H GLY 47 H GLY 47 -4.146 -14.404 -4.843 299 HA2 GLY 47 1HA GLY 47 -2.455 -15.490 -6.017 300 HA3 GLY 47 2HA GLY 47 -3.673 -16.496 -6.788 301 H LYS 48 H LYS 48 -4.912 -13.572 -7.222 302 HA LYS 48 HA LYS 48 -3.525 -13.198 -9.792 303 HB2 LYS 48 1HB LYS 48 -6.371 -12.946 -8.955 304 HB3 LYS 48 2HB LYS 48 -5.788 -11.851 -10.201 305 HG2 LYS 48 1HG LYS 48 -4.867 -14.106 -11.235 306 HG3 LYS 48 2HG LYS 48 -6.190 -14.787 -10.286 307 HD2 LYS 48 1HD LYS 48 -7.331 -14.343 -12.204 308 HD3 LYS 48 2HD LYS 48 -7.513 -12.774 -11.416 309 HE2 LYS 48 1HE LYS 48 -5.110 -13.216 -13.105 310 HE3 LYS 48 2HE LYS 48 -6.661 -13.008 -13.918 311 HZ1 LYS 48 1HZ LYS 48 -5.435 -10.912 -13.602 312 HZ2 LYS 48 2HZ LYS 48 -5.543 -11.111 -11.926 313 HZ3 LYS 48 3HZ LYS 48 -6.948 -10.900 -12.845 314 HA PRO 49 HA PRO 49 -2.148 -9.217 -8.540 315 HB2 PRO 49 1HB PRO 49 -2.028 -7.972 -10.949 316 HB3 PRO 49 2HB PRO 49 -0.869 -9.209 -10.448 317 HG2 PRO 49 1HG PRO 49 -3.271 -9.469 -12.216 318 HG3 PRO 49 2HG PRO 49 -1.651 -10.161 -12.420 319 HD2 PRO 49 1HD PRO 49 -3.740 -11.599 -11.471 320 HD3 PRO 49 2HD PRO 49 -2.067 -11.889 -10.953 321 H ALA 50 H ALA 50 -2.848 -7.101 -8.177 322 HA ALA 50 HA ALA 50 -5.343 -6.194 -9.351 323 HB1 ALA 50 1HB ALA 50 -6.614 -6.921 -7.674 324 HB2 ALA 50 2HB ALA 50 -5.210 -7.357 -6.699 325 HB3 ALA 50 3HB ALA 50 -5.824 -5.705 -6.670 326 H GLU 51 H GLU 51 -5.022 -4.144 -9.883 327 HA GLU 51 HA GLU 51 -3.480 -2.431 -8.057 328 HB2 GLU 51 1HB GLU 51 -2.624 -1.271 -10.170 329 HB3 GLU 51 2HB GLU 51 -1.918 -2.830 -9.766 330 HG2 GLU 51 1HG GLU 51 -2.279 -3.123 -11.990 331 HG3 GLU 51 2HG GLU 51 -3.808 -3.728 -11.354 332 H PHE 52 H PHE 52 -3.729 -0.029 -8.922 333 HA PHE 52 HA PHE 52 -6.415 0.486 -9.920 334 HB2 PHE 52 1HB PHE 52 -6.683 2.173 -7.961 335 HB3 PHE 52 2HB PHE 52 -7.019 0.470 -7.667 336 HD1 PHE 52 1HD PHE 52 -5.422 -0.909 -6.408 337 HD2 PHE 52 2HD PHE 52 -4.867 3.283 -6.899 338 HE1 PHE 52 1HE PHE 52 -3.795 -0.912 -4.563 339 HE2 PHE 52 2HE PHE 52 -3.238 3.286 -5.055 340 HZ PHE 52 HZ PHE 52 -2.699 1.187 -3.885 341 H THR 53 H THR 53 -6.742 3.009 -9.921 342 HA THR 53 HA THR 53 -4.289 4.146 -11.079 343 HB THR 53 HB THR 53 -7.137 5.046 -11.543 344 HG1 THR 53 1HG THR 53 -6.237 2.856 -12.379 345 HG21 THR 53 1HG2 THR 53 -5.442 5.767 -13.664 346 HG22 THR 53 2HG2 THR 53 -4.574 6.181 -12.185 347 HG23 THR 53 3HG2 THR 53 -6.187 6.834 -12.474 348 H ILE 54 H ILE 54 -3.275 5.634 -9.920 349 HA ILE 54 HA ILE 54 -4.782 7.115 -7.879 350 HB ILE 54 HB ILE 54 -1.798 6.729 -8.146 351 HG12 ILE 54 1HG1 ILE 54 -3.781 5.537 -6.195 352 HG13 ILE 54 2HG1 ILE 54 -2.992 4.673 -7.511 353 HG21 ILE 54 1HG2 ILE 54 -3.149 7.782 -5.703 354 HG22 ILE 54 2HG2 ILE 54 -1.488 8.000 -6.251 355 HG23 ILE 54 3HG2 ILE 54 -2.800 8.871 -7.045 356 HD11 ILE 54 1HD1 ILE 54 -2.099 5.034 -4.862 357 HD12 ILE 54 2HD1 ILE 54 -1.295 4.192 -6.187 358 HD13 ILE 54 3HD1 ILE 54 -0.991 5.909 -5.918 359 H ASP 55 H ASP 55 -5.019 9.267 -7.985 360 HA ASP 55 HA ASP 55 -3.833 10.646 -10.287 361 HB2 ASP 55 1HB ASP 55 -6.331 10.646 -9.969 362 HB3 ASP 55 2HB ASP 55 -6.083 11.608 -8.514 363 H THR 56 H THR 56 -1.921 11.509 -9.760 364 HA THR 56 HA THR 56 -1.729 13.014 -7.232 365 HB THR 56 HB THR 56 0.771 12.733 -7.515 366 HG1 THR 56 1HG THR 56 0.275 11.940 -9.841 367 HG21 THR 56 1HG2 THR 56 -0.868 11.288 -6.093 368 HG22 THR 56 2HG2 THR 56 0.790 10.736 -6.337 369 HG23 THR 56 3HG2 THR 56 -0.521 10.042 -7.291 370 H LYS 57 H LYS 57 -2.691 13.873 -9.946 371 HA LYS 57 HA LYS 57 -0.743 15.571 -11.106 372 HB2 LYS 57 1HB LYS 57 -3.742 15.895 -11.250 373 HB3 LYS 57 2HB LYS 57 -2.551 16.499 -12.395 374 HG2 LYS 57 1HG LYS 57 -2.962 13.571 -11.855 375 HG3 LYS 57 2HG LYS 57 -3.834 14.457 -13.108 376 HD2 LYS 57 1HD LYS 57 -1.449 15.195 -13.858 377 HD3 LYS 57 2HD LYS 57 -0.924 13.787 -12.932 378 HE2 LYS 57 1HE LYS 57 -2.547 12.420 -14.261 379 HE3 LYS 57 2HE LYS 57 -2.827 13.839 -15.268 380 HZ1 LYS 57 1HZ LYS 57 -0.509 12.080 -15.143 381 HZ2 LYS 57 2HZ LYS 57 -0.194 13.724 -15.382 382 HZ3 LYS 57 3HZ LYS 57 -1.186 12.887 -16.467 383 H GLY 58 H GLY 58 0.071 17.400 -10.332 384 HA2 GLY 58 1HA GLY 58 0.212 19.442 -9.280 385 HA3 GLY 58 2HA GLY 58 -1.542 19.441 -9.175 386 H ALA 59 H ALA 59 -0.040 16.684 -7.851 387 HA ALA 59 HA ALA 59 -0.941 17.359 -5.215 388 HB1 ALA 59 1HB ALA 59 0.851 15.034 -5.637 389 HB2 ALA 59 2HB ALA 59 -0.638 15.165 -4.701 390 HB3 ALA 59 3HB ALA 59 -0.710 15.023 -6.457 391 H GLY 60 H GLY 60 2.266 16.723 -6.644 392 HA2 GLY 60 1HA GLY 60 3.888 18.568 -5.871 393 HA3 GLY 60 2HA GLY 60 3.484 17.968 -4.270 394 H THR 61 H THR 61 5.726 17.507 -3.964 395 HA THR 61 HA THR 61 6.485 14.924 -5.128 396 HB THR 61 HB THR 61 8.456 17.190 -4.802 397 HG1 THR 61 1HG THR 61 7.656 16.198 -7.310 398 HG21 THR 61 1HG2 THR 61 9.703 15.571 -6.438 399 HG22 THR 61 2HG2 THR 61 8.614 14.362 -5.757 400 HG23 THR 61 3HG2 THR 61 9.712 15.254 -4.704 401 H GLY 62 H GLY 62 7.022 13.500 -3.606 402 HA2 GLY 62 1HA GLY 62 8.622 14.136 -1.346 403 HA3 GLY 62 2HA GLY 62 6.932 14.010 -0.881 404 H GLY 63 H GLY 63 6.922 12.152 0.269 405 HA2 GLY 63 1HA GLY 63 7.735 9.717 -1.190 406 HA3 GLY 63 2HA GLY 63 8.131 9.938 0.507 407 H LEU 64 H LEU 64 6.139 8.313 -1.440 408 HA LEU 64 HA LEU 64 3.780 8.543 0.287 409 HB2 LEU 64 1HB LEU 64 3.378 8.729 -2.101 410 HB3 LEU 64 2HB LEU 64 4.159 7.172 -2.372 411 HG LEU 64 HG LEU 64 2.285 6.237 -0.849 412 HD11 LEU 64 1HD1 LEU 64 0.738 8.580 -1.865 413 HD12 LEU 64 2HD1 LEU 64 1.595 8.689 -0.328 414 HD13 LEU 64 3HD1 LEU 64 0.352 7.459 -0.560 415 HD21 LEU 64 1HD2 LEU 64 2.396 6.863 -3.681 416 HD22 LEU 64 2HD2 LEU 64 0.740 6.714 -3.090 417 HD23 LEU 64 3HD2 LEU 64 1.880 5.386 -2.868 418 H GLY 65 H GLY 65 3.106 6.916 1.583 419 HA2 GLY 65 1HA GLY 65 4.769 4.474 1.602 420 HA3 GLY 65 2HA GLY 65 4.059 5.192 3.041 421 H LEU 66 H LEU 66 3.716 2.828 0.703 422 HA LEU 66 HA LEU 66 0.826 2.577 1.186 423 HB2 LEU 66 1HB LEU 66 1.904 2.657 -1.183 424 HB3 LEU 66 2HB LEU 66 2.322 0.978 -0.850 425 HG LEU 66 HG LEU 66 -0.138 0.567 -0.461 426 HD11 LEU 66 1HD1 LEU 66 -0.182 3.429 -1.171 427 HD12 LEU 66 2HD1 LEU 66 -1.282 2.489 -0.163 428 HD13 LEU 66 3HD1 LEU 66 -1.418 2.418 -1.920 429 HD21 LEU 66 1HD2 LEU 66 0.238 -0.326 -2.470 430 HD22 LEU 66 2HD2 LEU 66 1.291 1.003 -2.956 431 HD23 LEU 66 3HD2 LEU 66 -0.458 1.153 -3.133 432 H THR 67 H THR 67 0.310 1.221 2.760 433 HA THR 67 HA THR 67 1.823 -1.291 3.008 434 HB THR 67 HB THR 67 1.276 -1.093 5.531 435 HG1 THR 67 1HG THR 67 1.392 1.269 6.086 436 HG21 THR 67 1HG2 THR 67 3.415 0.354 4.024 437 HG22 THR 67 2HG2 THR 67 3.535 -1.081 5.043 438 HG23 THR 67 3HG2 THR 67 3.330 0.509 5.778 439 H VAL 68 H VAL 68 0.583 -3.047 2.941 440 HA VAL 68 HA VAL 68 -2.310 -2.740 2.995 441 HB VAL 68 HB VAL 68 -0.497 -5.009 2.210 442 HG11 VAL 68 1HG1 VAL 68 -3.374 -5.070 2.927 443 HG12 VAL 68 2HG1 VAL 68 -2.863 -5.993 1.513 444 HG13 VAL 68 3HG1 VAL 68 -2.139 -6.318 3.089 445 HG21 VAL 68 1HG2 VAL 68 -1.025 -3.033 0.681 446 HG22 VAL 68 2HG2 VAL 68 -1.290 -4.651 0.030 447 HG23 VAL 68 3HG2 VAL 68 -2.659 -3.692 0.593 448 H GLU 69 H GLU 69 -3.232 -2.775 4.943 449 HA GLU 69 HA GLU 69 -2.158 -4.554 7.009 450 HB2 GLU 69 1HB GLU 69 -3.960 -2.149 7.084 451 HB3 GLU 69 2HB GLU 69 -3.860 -3.248 8.452 452 HG2 GLU 69 1HG GLU 69 -1.384 -2.057 7.276 453 HG3 GLU 69 2HG GLU 69 -2.374 -1.143 8.413 454 H GLY 70 H GLY 70 -3.070 -6.388 5.738 455 HA2 GLY 70 1HA GLY 70 -5.961 -6.708 6.260 456 HA3 GLY 70 2HA GLY 70 -5.108 -7.484 4.933 457 HA PRO 71 HA PRO 71 -5.476 -10.592 8.324 458 HB2 PRO 71 1HB PRO 71 -6.083 -12.655 6.667 459 HB3 PRO 71 2HB PRO 71 -7.302 -11.545 7.306 460 HG2 PRO 71 1HG PRO 71 -5.966 -11.554 4.627 461 HG3 PRO 71 2HG PRO 71 -7.673 -11.287 5.025 462 HD2 PRO 71 1HD PRO 71 -5.968 -9.255 4.482 463 HD3 PRO 71 2HD PRO 71 -7.320 -9.088 5.620 464 H CYS 72 H CYS 72 -3.500 -10.075 5.623 465 HA CYS 72 HA CYS 72 -1.348 -11.569 6.768 466 HB2 CYS 72 1HB CYS 72 -2.868 -13.195 5.340 467 HB3 CYS 72 2HB CYS 72 -1.999 -12.469 3.994 468 HG CYS 72 HG CYS 72 0.305 -13.640 4.362 469 H GLU 73 H GLU 73 0.678 -11.192 5.690 470 HA GLU 73 HA GLU 73 0.804 -8.578 4.521 471 HB2 GLU 73 1HB GLU 73 2.543 -9.268 6.051 472 HB3 GLU 73 2HB GLU 73 2.935 -10.655 5.044 473 HG2 GLU 73 1HG GLU 73 3.529 -9.002 3.227 474 HG3 GLU 73 2HG GLU 73 3.417 -7.750 4.463 475 H ALA 74 H ALA 74 0.275 -8.263 2.462 476 HA ALA 74 HA ALA 74 0.961 -10.321 0.480 477 HB1 ALA 74 1HB ALA 74 -1.377 -8.832 0.897 478 HB2 ALA 74 2HB ALA 74 -0.660 -8.208 -0.589 479 HB3 ALA 74 3HB ALA 74 -1.021 -9.928 -0.438 480 H LYS 75 H LYS 75 2.279 -9.899 -1.222 481 HA LYS 75 HA LYS 75 4.179 -7.853 -1.035 482 HB2 LYS 75 1HB LYS 75 4.125 -10.131 -2.388 483 HB3 LYS 75 2HB LYS 75 3.580 -9.081 -3.690 484 HG2 LYS 75 1HG LYS 75 5.637 -7.651 -3.119 485 HG3 LYS 75 2HG LYS 75 6.199 -9.076 -2.242 486 HD2 LYS 75 1HD LYS 75 5.233 -9.422 -5.036 487 HD3 LYS 75 2HD LYS 75 6.817 -8.685 -4.781 488 HE2 LYS 75 1HE LYS 75 6.170 -11.180 -3.299 489 HE3 LYS 75 2HE LYS 75 6.513 -11.304 -5.023 490 HZ1 LYS 75 1HZ LYS 75 8.533 -11.597 -3.811 491 HZ2 LYS 75 2HZ LYS 75 8.291 -10.171 -2.934 492 HZ3 LYS 75 3HZ LYS 75 8.612 -10.099 -4.593 493 H ILE 76 H ILE 76 4.468 -5.924 -2.126 494 HA ILE 76 HA ILE 76 2.223 -4.962 -3.759 495 HB ILE 76 HB ILE 76 3.584 -3.256 -1.678 496 HG12 ILE 76 1HG1 ILE 76 0.783 -4.343 -1.471 497 HG13 ILE 76 2HG1 ILE 76 2.159 -5.217 -0.806 498 HG21 ILE 76 1HG2 ILE 76 1.766 -2.742 -3.859 499 HG22 ILE 76 2HG2 ILE 76 1.075 -2.238 -2.318 500 HG23 ILE 76 3HG2 ILE 76 2.639 -1.606 -2.831 501 HD11 ILE 76 1HD1 ILE 76 1.582 -2.370 -0.072 502 HD12 ILE 76 2HD1 ILE 76 0.849 -3.733 0.774 503 HD13 ILE 76 3HD1 ILE 76 2.601 -3.541 0.764 504 H GLU 77 H GLU 77 2.998 -4.473 -5.695 505 HA GLU 77 HA GLU 77 5.774 -3.569 -5.945 506 HB2 GLU 77 1HB GLU 77 4.609 -5.505 -7.321 507 HB3 GLU 77 2HB GLU 77 4.056 -4.163 -8.314 508 HG2 GLU 77 1HG GLU 77 6.944 -4.333 -7.633 509 HG3 GLU 77 2HG GLU 77 6.289 -5.432 -8.845 510 H CYS 78 H CYS 78 5.885 -1.419 -5.675 511 HA CYS 78 HA CYS 78 3.823 0.317 -6.759 512 HB2 CYS 78 1HB CYS 78 4.982 2.112 -5.604 513 HB3 CYS 78 2HB CYS 78 4.772 0.748 -4.513 514 HG CYS 78 HG CYS 78 7.312 0.111 -4.212 515 H SER 79 H SER 79 3.923 1.186 -8.713 516 HA SER 79 HA SER 79 6.546 1.733 -9.907 517 HB2 SER 79 1HB SER 79 5.330 -0.473 -10.699 518 HB3 SER 79 2HB SER 79 4.379 0.655 -11.666 519 HG SER 79 HG SER 79 6.291 1.381 -12.618 520 H ASP 80 H ASP 80 6.613 3.478 -11.315 521 HA ASP 80 HA ASP 80 4.254 5.225 -11.201 522 HB2 ASP 80 1HB ASP 80 7.177 5.844 -11.663 523 HB3 ASP 80 2HB ASP 80 5.890 7.040 -11.792 524 H ASN 81 H ASN 81 3.642 6.439 -13.073 525 HA ASN 81 HA ASN 81 3.989 4.908 -15.522 526 HB2 ASN 81 1HB ASN 81 2.158 7.206 -14.809 527 HB3 ASN 81 2HB ASN 81 2.200 6.442 -16.395 528 HD21 ASN 81 1HD2 ASN 81 1.717 5.762 -12.965 529 HD22 ASN 81 2HD2 ASN 81 0.597 4.467 -13.197 530 H GLY 82 H GLY 82 4.391 8.260 -14.401 531 HA2 GLY 82 1HA GLY 82 6.421 9.442 -15.059 532 HA3 GLY 82 2HA GLY 82 6.297 8.651 -16.623 533 H ASP 83 H ASP 83 3.249 9.219 -16.273 534 HA ASP 83 HA ASP 83 3.388 11.834 -17.574 535 HB2 ASP 83 1HB ASP 83 2.164 10.312 -18.890 536 HB3 ASP 83 2HB ASP 83 1.305 9.663 -17.494 537 H GLY 84 H GLY 84 2.627 10.461 -14.575 538 HA2 GLY 84 1HA GLY 84 2.355 12.289 -12.849 539 HA3 GLY 84 2HA GLY 84 1.000 12.813 -13.838 540 H THR 85 H THR 85 1.483 9.430 -13.634 541 HA THR 85 HA THR 85 -0.528 9.198 -11.502 542 HB THR 85 HB THR 85 -1.558 7.298 -12.802 543 HG1 THR 85 1HG THR 85 -0.966 6.971 -14.860 544 HG21 THR 85 1HG2 THR 85 -2.721 8.878 -14.454 545 HG22 THR 85 2HG2 THR 85 -1.687 10.138 -13.780 546 HG23 THR 85 3HG2 THR 85 -2.821 9.277 -12.739 547 H CYS 86 H CYS 86 -0.708 6.900 -10.703 548 HA CYS 86 HA CYS 86 1.849 5.467 -10.911 549 HB2 CYS 86 1HB CYS 86 0.425 6.343 -8.408 550 HB3 CYS 86 2HB CYS 86 1.528 4.973 -8.399 551 HG CYS 86 HG CYS 86 2.653 7.906 -9.667 552 H SER 87 H SER 87 1.700 3.288 -11.009 553 HA SER 87 HA SER 87 -0.989 2.118 -10.707 554 HB2 SER 87 1HB SER 87 -0.292 2.176 -13.059 555 HB3 SER 87 2HB SER 87 1.191 1.313 -12.650 556 HG SER 87 HG SER 87 -1.225 0.151 -11.888 557 H VAL 88 H VAL 88 -0.731 1.402 -8.610 558 HA VAL 88 HA VAL 88 1.537 -0.335 -7.991 559 HB VAL 88 HB VAL 88 -0.678 0.650 -6.186 560 HG11 VAL 88 1HG1 VAL 88 1.171 -1.449 -5.845 561 HG12 VAL 88 2HG1 VAL 88 1.716 -0.116 -4.826 562 HG13 VAL 88 3HG1 VAL 88 0.082 -0.755 -4.645 563 HG21 VAL 88 1HG2 VAL 88 2.171 1.603 -6.459 564 HG22 VAL 88 2HG2 VAL 88 0.739 2.469 -7.014 565 HG23 VAL 88 3HG2 VAL 88 0.988 2.190 -5.291 566 H SER 89 H SER 89 1.402 -2.485 -7.918 567 HA SER 89 HA SER 89 -1.278 -3.709 -8.022 568 HB2 SER 89 1HB SER 89 -0.190 -5.576 -9.289 569 HB3 SER 89 2HB SER 89 -0.170 -4.034 -10.144 570 HG SER 89 HG SER 89 2.005 -4.729 -8.515 571 H TYR 90 H TYR 90 -1.768 -5.181 -6.515 572 HA TYR 90 HA TYR 90 0.417 -6.215 -4.830 573 HB2 TYR 90 1HB TYR 90 -0.997 -6.052 -2.891 574 HB3 TYR 90 2HB TYR 90 -0.992 -4.485 -3.692 575 HD1 TYR 90 2HD TYR 90 -2.985 -7.571 -3.202 576 HD2 TYR 90 1HD TYR 90 -3.000 -3.503 -4.449 577 HE1 TYR 90 2HE TYR 90 -5.443 -7.609 -3.279 578 HE2 TYR 90 1HE TYR 90 -5.458 -3.530 -4.528 579 HH TYR 90 HH TYR 90 -7.319 -4.840 -3.460 580 H LEU 91 H LEU 91 0.273 -8.338 -4.135 581 HA LEU 91 HA LEU 91 -1.814 -9.951 -5.450 582 HB2 LEU 91 1HB LEU 91 1.107 -10.326 -5.133 583 HB3 LEU 91 2HB LEU 91 0.097 -11.766 -5.009 584 HG LEU 91 HG LEU 91 -0.162 -9.938 -7.367 585 HD11 LEU 91 1HD1 LEU 91 1.973 -11.995 -6.883 586 HD12 LEU 91 2HD1 LEU 91 2.158 -10.320 -7.402 587 HD13 LEU 91 3HD1 LEU 91 1.469 -11.513 -8.503 588 HD21 LEU 91 1HD2 LEU 91 -1.828 -11.504 -7.483 589 HD22 LEU 91 2HD2 LEU 91 -0.882 -12.737 -6.649 590 HD23 LEU 91 3HD2 LEU 91 -0.541 -12.354 -8.338 591 HA PRO 92 HA PRO 92 -2.891 -10.755 -1.165 592 HB2 PRO 92 1HB PRO 92 -5.191 -12.073 -1.750 593 HB3 PRO 92 2HB PRO 92 -5.064 -10.310 -1.764 594 HG2 PRO 92 1HG PRO 92 -4.965 -12.235 -4.055 595 HG3 PRO 92 2HG PRO 92 -5.810 -10.681 -3.935 596 HD2 PRO 92 1HD PRO 92 -3.443 -10.957 -5.222 597 HD3 PRO 92 2HD PRO 92 -3.901 -9.466 -4.373 598 H THR 93 H THR 93 -3.641 -12.814 -0.022 599 HA THR 93 HA THR 93 -2.403 -15.187 -1.252 600 HB THR 93 HB THR 93 -1.586 -15.858 0.991 601 HG1 THR 93 1HG THR 93 -1.869 -14.574 2.708 602 HG21 THR 93 1HG2 THR 93 -0.559 -13.136 0.188 603 HG22 THR 93 2HG2 THR 93 -0.145 -14.635 -0.643 604 HG23 THR 93 3HG2 THR 93 0.324 -14.401 1.040 605 H LYS 94 H LYS 94 -4.719 -13.933 1.099 606 HA LYS 94 HA LYS 94 -6.291 -16.392 0.748 607 HB2 LYS 94 1HB LYS 94 -5.883 -14.944 3.372 608 HB3 LYS 94 2HB LYS 94 -6.911 -16.348 3.119 609 HG2 LYS 94 1HG LYS 94 -4.943 -17.680 2.534 610 HG3 LYS 94 2HG LYS 94 -3.916 -16.270 2.807 611 HD2 LYS 94 1HD LYS 94 -4.348 -16.267 5.115 612 HD3 LYS 94 2HD LYS 94 -5.749 -17.326 4.940 613 HE2 LYS 94 1HE LYS 94 -2.950 -18.199 4.264 614 HE3 LYS 94 2HE LYS 94 -3.640 -18.378 5.877 615 HZ1 LYS 94 1HZ LYS 94 -4.451 -19.703 3.369 616 HZ2 LYS 94 2HZ LYS 94 -5.532 -19.572 4.663 617 HZ3 LYS 94 3HZ LYS 94 -4.070 -20.400 4.862 618 HA PRO 95 HA PRO 95 -9.691 -13.732 -0.061 619 HB2 PRO 95 1HB PRO 95 -11.754 -15.249 0.841 620 HB3 PRO 95 2HB PRO 95 -10.867 -15.618 -0.643 621 HG2 PRO 95 1HG PRO 95 -10.568 -16.807 2.088 622 HG3 PRO 95 2HG PRO 95 -10.577 -17.616 0.510 623 HD2 PRO 95 1HD PRO 95 -8.291 -17.074 1.856 624 HD3 PRO 95 2HD PRO 95 -8.376 -17.082 0.083 625 H GLY 96 H GLY 96 -10.480 -11.992 0.950 626 HA2 GLY 96 1HA GLY 96 -11.902 -11.932 3.326 627 HA3 GLY 96 2HA GLY 96 -10.221 -11.664 3.763 628 H GLU 97 H GLU 97 -9.639 -9.610 3.895 629 HA GLU 97 HA GLU 97 -10.504 -7.687 1.922 630 HB2 GLU 97 1HB GLU 97 -11.448 -6.110 3.560 631 HB3 GLU 97 2HB GLU 97 -12.383 -7.596 3.464 632 HG2 GLU 97 1HG GLU 97 -10.958 -8.353 5.476 633 HG3 GLU 97 2HG GLU 97 -10.588 -6.639 5.651 634 H TYR 98 H TYR 98 -8.706 -6.643 1.418 635 HA TYR 98 HA TYR 98 -6.628 -6.303 3.460 636 HB2 TYR 98 1HB TYR 98 -6.492 -6.060 0.448 637 HB3 TYR 98 2HB TYR 98 -5.132 -5.813 1.539 638 HD1 TYR 98 1HD TYR 98 -7.625 -8.361 0.472 639 HD2 TYR 98 2HD TYR 98 -3.809 -7.622 2.203 640 HE1 TYR 98 1HE TYR 98 -7.124 -10.767 0.382 641 HE2 TYR 98 2HE TYR 98 -3.297 -10.026 2.116 642 HH TYR 98 HH TYR 98 -5.119 -12.292 2.037 643 H PHE 99 H PHE 99 -6.111 -4.363 4.252 644 HA PHE 99 HA PHE 99 -7.526 -2.029 3.189 645 HB2 PHE 99 1HB PHE 99 -6.259 -2.648 5.845 646 HB3 PHE 99 2HB PHE 99 -6.652 -0.993 5.391 647 HD1 PHE 99 2HD PHE 99 -8.355 -4.312 5.180 648 HD2 PHE 99 1HD PHE 99 -8.588 -0.219 6.324 649 HE1 PHE 99 2HE PHE 99 -10.669 -4.660 5.939 650 HE2 PHE 99 1HE PHE 99 -10.902 -0.561 7.086 651 HZ PHE 99 HZ PHE 99 -11.946 -2.783 6.893 652 H VAL 100 H VAL 100 -6.430 -0.904 1.724 653 HA VAL 100 HA VAL 100 -3.533 -0.880 1.708 654 HB VAL 100 HB VAL 100 -5.481 0.535 -0.118 655 HG11 VAL 100 1HG1 VAL 100 -3.610 0.860 -1.603 656 HG12 VAL 100 2HG1 VAL 100 -3.219 1.543 -0.023 657 HG13 VAL 100 3HG1 VAL 100 -2.541 -0.012 -0.505 658 HG21 VAL 100 1HG2 VAL 100 -5.534 -1.290 -1.466 659 HG22 VAL 100 2HG2 VAL 100 -3.907 -1.804 -1.023 660 HG23 VAL 100 3HG2 VAL 100 -5.258 -2.121 0.065 661 H ASN 101 H ASN 101 -2.554 0.424 3.120 662 HA ASN 101 HA ASN 101 -3.759 2.899 3.986 663 HB2 ASN 101 1HB ASN 101 -1.110 1.593 4.633 664 HB3 ASN 101 2HB ASN 101 -1.651 3.112 5.341 665 HD21 ASN 101 1HD2 ASN 101 -2.684 -0.240 4.868 666 HD22 ASN 101 2HD2 ASN 101 -3.482 -0.391 6.393 667 H ILE 102 H ILE 102 -3.737 4.538 2.577 668 HA ILE 102 HA ILE 102 -1.287 5.037 1.030 669 HB ILE 102 HB ILE 102 -4.072 6.117 0.578 670 HG12 ILE 102 1HG1 ILE 102 -2.521 4.098 -1.054 671 HG13 ILE 102 2HG1 ILE 102 -3.751 3.666 0.128 672 HG21 ILE 102 1HG2 ILE 102 -2.299 6.312 -1.671 673 HG22 ILE 102 2HG2 ILE 102 -3.199 7.582 -0.844 674 HG23 ILE 102 3HG2 ILE 102 -1.597 7.120 -0.270 675 HD11 ILE 102 1HD1 ILE 102 -4.976 3.624 -1.791 676 HD12 ILE 102 2HD1 ILE 102 -5.227 5.300 -1.300 677 HD13 ILE 102 3HD1 ILE 102 -4.043 4.915 -2.548 678 H LEU 103 H LEU 103 0.027 6.423 2.021 679 HA LEU 103 HA LEU 103 -1.126 8.909 3.082 680 HB2 LEU 103 1HB LEU 103 0.938 8.680 4.731 681 HB3 LEU 103 2HB LEU 103 -0.650 8.014 5.105 682 HG LEU 103 HG LEU 103 0.403 5.867 3.942 683 HD11 LEU 103 1HD1 LEU 103 2.787 7.310 5.093 684 HD12 LEU 103 2HD1 LEU 103 2.519 6.937 3.391 685 HD13 LEU 103 3HD1 LEU 103 2.758 5.631 4.552 686 HD21 LEU 103 1HD2 LEU 103 0.594 4.963 6.056 687 HD22 LEU 103 2HD2 LEU 103 -0.449 6.354 6.353 688 HD23 LEU 103 3HD2 LEU 103 1.270 6.440 6.744 689 H PHE 104 H PHE 104 -0.136 10.713 2.413 690 HA PHE 104 HA PHE 104 2.324 10.406 0.837 691 HB2 PHE 104 1HB PHE 104 0.113 11.467 -0.075 692 HB3 PHE 104 2HB PHE 104 0.642 12.888 0.819 693 HD1 PHE 104 1HD PHE 104 2.352 10.363 -1.337 694 HD2 PHE 104 2HD PHE 104 1.557 14.471 -0.554 695 HE1 PHE 104 1HE PHE 104 3.805 10.999 -3.218 696 HE2 PHE 104 2HE PHE 104 3.008 15.114 -2.434 697 HZ PHE 104 HZ PHE 104 4.133 13.377 -3.769 698 H GLU 105 H GLU 105 4.138 10.916 1.855 699 HA GLU 105 HA GLU 105 5.649 11.938 3.214 700 HB2 GLU 105 1HB GLU 105 3.735 14.216 2.736 701 HB3 GLU 105 2HB GLU 105 5.209 14.407 3.674 702 HG2 GLU 105 1HG GLU 105 5.350 13.250 0.931 703 HG3 GLU 105 2HG GLU 105 5.176 14.992 1.142 704 H GLU 106 H GLU 106 3.779 10.326 4.495 705 HA GLU 106 HA GLU 106 3.215 9.765 6.635 706 HB2 GLU 106 1HB GLU 106 4.182 12.463 7.559 707 HB3 GLU 106 2HB GLU 106 4.078 10.970 8.480 708 HG2 GLU 106 1HG GLU 106 5.813 10.057 6.836 709 HG3 GLU 106 2HG GLU 106 6.069 11.741 6.383 710 H VAL 107 H VAL 107 1.475 11.211 4.779 711 HA VAL 107 HA VAL 107 -0.440 12.264 6.751 712 HB VAL 107 HB VAL 107 -0.206 13.367 3.957 713 HG11 VAL 107 1HG1 VAL 107 -2.093 14.413 4.474 714 HG12 VAL 107 2HG1 VAL 107 -2.101 13.640 6.060 715 HG13 VAL 107 3HG1 VAL 107 -1.288 15.190 5.836 716 HG21 VAL 107 1HG2 VAL 107 0.816 14.778 6.399 717 HG22 VAL 107 2HG2 VAL 107 1.856 13.713 5.453 718 HG23 VAL 107 3HG2 VAL 107 1.130 15.133 4.700 719 H HIS 108 H HIS 108 -2.125 10.942 6.817 720 HA HIS 108 HA HIS 108 -2.718 9.021 4.835 721 HB2 HIS 108 1HB HIS 108 -3.995 9.962 7.347 722 HB3 HIS 108 2HB HIS 108 -5.021 9.096 6.207 723 HD1 HIS 108 1HD HIS 108 -4.948 6.620 6.351 724 HD2 HIS 108 2HD HIS 108 -1.613 8.382 8.095 725 HE1 HIS 108 1HE HIS 108 -3.662 4.732 7.403 726 HE2 HIS 108 2HE HIS 108 -1.694 5.833 8.525 727 H ILE 109 H ILE 109 -3.619 9.332 2.919 728 HA ILE 109 HA ILE 109 -4.792 11.786 2.132 729 HB ILE 109 HB ILE 109 -5.288 10.722 0.025 730 HG12 ILE 109 1HG1 ILE 109 -4.323 8.061 0.972 731 HG13 ILE 109 2HG1 ILE 109 -5.977 8.527 1.351 732 HG21 ILE 109 1HG2 ILE 109 -2.680 9.544 0.939 733 HG22 ILE 109 2HG2 ILE 109 -3.105 10.170 -0.653 734 HG23 ILE 109 3HG2 ILE 109 -2.902 11.277 0.704 735 HD11 ILE 109 1HD1 ILE 109 -6.558 8.673 -0.926 736 HD12 ILE 109 2HD1 ILE 109 -4.871 8.596 -1.437 737 HD13 ILE 109 3HD1 ILE 109 -5.647 7.173 -0.742 738 HA PRO 110 HA PRO 110 -9.006 11.321 3.283 739 HB2 PRO 110 1HB PRO 110 -10.226 12.695 1.284 740 HB3 PRO 110 2HB PRO 110 -9.305 13.485 2.569 741 HG2 PRO 110 1HG PRO 110 -8.467 12.817 -0.226 742 HG3 PRO 110 2HG PRO 110 -8.179 14.299 0.705 743 HD2 PRO 110 1HD PRO 110 -6.293 12.381 0.400 744 HD3 PRO 110 2HD PRO 110 -6.413 13.378 1.864 745 H GLY 111 H GLY 111 -9.031 8.994 2.896 746 HA2 GLY 111 1HA GLY 111 -11.110 7.943 1.615 747 HA3 GLY 111 2HA GLY 111 -9.973 8.106 0.285 748 H SER 112 H SER 112 -7.908 7.618 2.629 749 HA SER 112 HA SER 112 -7.970 4.698 2.305 750 HB2 SER 112 1HB SER 112 -5.670 4.689 2.283 751 HB3 SER 112 2HB SER 112 -5.954 6.306 1.639 752 HG SER 112 HG SER 112 -5.258 5.570 4.282 753 HA PRO 113 HA PRO 113 -6.402 3.143 3.251 754 HB2 PRO 113 1HB PRO 113 -7.341 0.845 4.350 755 HB3 PRO 113 2HB PRO 113 -5.927 1.701 4.976 756 HG2 PRO 113 1HG PRO 113 -8.753 1.739 5.961 757 HG3 PRO 113 2HG PRO 113 -7.246 1.644 6.890 758 HD2 PRO 113 1HD PRO 113 -8.631 3.952 6.594 759 HD3 PRO 113 2HD PRO 113 -6.862 3.912 6.740 760 H PHE 114 H PHE 114 -7.310 1.312 1.902 761 HA PHE 114 HA PHE 114 -10.146 1.823 1.283 762 HB2 PHE 114 1HB PHE 114 -7.811 1.359 -0.567 763 HB3 PHE 114 2HB PHE 114 -9.478 1.160 -1.095 764 HD1 PHE 114 1HD PHE 114 -7.059 3.601 0.270 765 HD2 PHE 114 2HD PHE 114 -10.790 3.012 -1.693 766 HE1 PHE 114 1HE PHE 114 -7.195 6.014 -0.189 767 HE2 PHE 114 2HE PHE 114 -10.931 5.424 -2.156 768 HZ PHE 114 HZ PHE 114 -9.132 6.929 -1.404 769 H LYS 115 H LYS 115 -11.074 0.112 2.306 770 HA LYS 115 HA LYS 115 -10.036 -2.490 2.448 771 HB2 LYS 115 1HB LYS 115 -11.809 -1.654 3.934 772 HB3 LYS 115 2HB LYS 115 -12.923 -1.596 2.575 773 HG2 LYS 115 1HG LYS 115 -12.270 -4.146 2.384 774 HG3 LYS 115 2HG LYS 115 -11.899 -3.929 4.096 775 HD2 LYS 115 1HD LYS 115 -14.528 -3.198 2.808 776 HD3 LYS 115 2HD LYS 115 -14.221 -4.710 3.666 777 HE2 LYS 115 1HE LYS 115 -13.730 -3.467 5.703 778 HE3 LYS 115 2HE LYS 115 -13.983 -1.945 4.851 779 HZ1 LYS 115 1HZ LYS 115 -16.294 -2.761 4.396 780 HZ2 LYS 115 2HZ LYS 115 -15.962 -2.411 6.017 781 HZ3 LYS 115 3HZ LYS 115 -16.002 -4.018 5.490 782 H ALA 116 H ALA 116 -9.756 -3.943 0.901 783 HA ALA 116 HA ALA 116 -11.485 -3.815 -1.483 784 HB1 ALA 116 1HB ALA 116 -9.186 -5.355 -2.045 785 HB2 ALA 116 2HB ALA 116 -9.627 -3.775 -2.692 786 HB3 ALA 116 3HB ALA 116 -8.646 -3.887 -1.230 787 H ASP 117 H ASP 117 -13.016 -5.323 -1.351 788 HA ASP 117 HA ASP 117 -12.747 -7.710 0.180 789 HB2 ASP 117 1HB ASP 117 -14.903 -6.446 -0.370 790 HB3 ASP 117 2HB ASP 117 -14.827 -7.226 -1.947 791 H ILE 118 H ILE 118 -11.506 -9.358 -0.403 792 HA ILE 118 HA ILE 118 -11.084 -9.913 -3.248 793 HB ILE 118 HB ILE 118 -9.653 -11.018 -0.828 794 HG12 ILE 118 1HG1 ILE 118 -9.298 -8.576 -1.364 795 HG13 ILE 118 2HG1 ILE 118 -7.842 -9.565 -1.395 796 HG21 ILE 118 1HG2 ILE 118 -9.744 -11.897 -3.562 797 HG22 ILE 118 2HG2 ILE 118 -8.115 -11.374 -3.139 798 HG23 ILE 118 3HG2 ILE 118 -8.917 -12.618 -2.181 799 HD11 ILE 118 1HD1 ILE 118 -8.800 -7.860 -3.390 800 HD12 ILE 118 2HD1 ILE 118 -7.433 -8.972 -3.483 801 HD13 ILE 118 3HD1 ILE 118 -9.035 -9.499 -3.997 802 H GLU 119 H GLU 119 -11.959 -11.617 -4.238 803 HA GLU 119 HA GLU 119 -13.384 -13.587 -2.581 804 HB2 GLU 119 1HB GLU 119 -13.844 -12.919 -5.493 805 HB3 GLU 119 2HB GLU 119 -14.820 -13.990 -4.497 806 HG2 GLU 119 1HG GLU 119 -15.722 -12.229 -3.270 807 HG3 GLU 119 2HG GLU 119 -14.454 -11.110 -3.769 808 H MET 120 H MET 120 -13.460 -15.810 -3.409 809 HA MET 120 HA MET 120 -10.833 -16.718 -4.096 810 HB2 MET 120 1HB MET 120 -13.460 -18.126 -3.652 811 HB3 MET 120 2HB MET 120 -12.006 -18.989 -4.133 812 HG2 MET 120 1HG MET 120 -10.923 -17.869 -2.087 813 HG3 MET 120 2HG MET 120 -12.580 -17.549 -1.577 814 HE1 MET 120 1HE MET 120 -9.895 -19.194 -0.793 815 HE2 MET 120 2HE MET 120 -10.902 -19.686 0.569 816 HE3 MET 120 3HE MET 120 -10.179 -20.907 -0.479 817 HA PRO 121 HA PRO 121 -11.267 -16.730 -8.487 818 HB2 PRO 121 1HB PRO 121 -9.234 -18.433 -9.068 819 HB3 PRO 121 2HB PRO 121 -8.970 -16.763 -8.553 820 HG2 PRO 121 1HG PRO 121 -8.829 -19.285 -6.947 821 HG3 PRO 121 2HG PRO 121 -7.739 -17.886 -6.932 822 HD2 PRO 121 1HD PRO 121 -9.648 -18.267 -5.049 823 HD3 PRO 121 2HD PRO 121 -9.140 -16.651 -5.581 824 H PHE 122 H PHE 122 -11.631 -18.227 -10.285 825 HA PHE 122 HA PHE 122 -13.132 -20.578 -9.389 826 HB2 PHE 122 1HB PHE 122 -14.537 -19.298 -10.734 827 HB3 PHE 122 2HB PHE 122 -13.237 -18.843 -11.831 828 HD1 PHE 122 2HD PHE 122 -15.529 -21.558 -10.863 829 HD2 PHE 122 1HD PHE 122 -12.701 -20.165 -13.722 830 HE1 PHE 122 2HE PHE 122 -16.212 -23.349 -12.406 831 HE2 PHE 122 1HE PHE 122 -13.380 -21.953 -15.270 832 HZ PHE 122 HZ PHE 122 -15.137 -23.549 -14.613 833 H ASP 123 H ASP 123 -12.655 -22.622 -10.026 834 HA ASP 123 HA ASP 123 -10.115 -22.979 -11.452 835 HB2 ASP 123 1HB ASP 123 -10.686 -23.983 -9.089 836 HB3 ASP 123 2HB ASP 123 -11.522 -25.210 -10.036 837 HA PRO 124 HA PRO 124 -12.202 -24.521 -15.011 838 HB2 PRO 124 1HB PRO 124 -10.147 -25.907 -16.119 839 HB3 PRO 124 2HB PRO 124 -10.235 -24.141 -16.136 840 HG2 PRO 124 1HG PRO 124 -8.691 -25.944 -14.312 841 HG3 PRO 124 2HG PRO 124 -8.179 -24.435 -15.090 842 HD2 PRO 124 1HD PRO 124 -8.962 -24.546 -12.501 843 HD3 PRO 124 2HD PRO 124 -9.238 -23.120 -13.521 844 H SER 125 H SER 125 -11.131 -26.431 -12.451 845 HA SER 125 HA SER 125 -11.680 -29.006 -13.605 846 HB2 SER 125 1HB SER 125 -10.065 -28.889 -11.816 847 HB3 SER 125 2HB SER 125 -11.238 -28.121 -10.745 848 HG SER 125 HG SER 125 -10.781 -30.608 -10.792 849 H SER 126 H SER 126 -13.643 -29.756 -13.995 850 HA SER 126 HA SER 126 -15.764 -29.395 -12.045 851 HB2 SER 126 1HB SER 126 -17.360 -28.455 -13.584 852 HB3 SER 126 2HB SER 126 -15.923 -27.433 -13.606 853 HG SER 126 HG SER 126 -16.080 -27.743 -15.688 854 H GLY 127 H GLY 127 -17.315 -30.999 -12.107 855 HA2 GLY 127 1HA GLY 127 -16.857 -33.120 -14.115 856 HA3 GLY 127 2HA GLY 127 -17.220 -33.459 -12.430 857 HA PRO 128 HA PRO 128 -21.145 -33.513 -14.985 858 HB2 PRO 128 1HB PRO 128 -21.881 -36.037 -14.308 859 HB3 PRO 128 2HB PRO 128 -20.841 -35.678 -15.692 860 HG2 PRO 128 1HG PRO 128 -20.089 -36.607 -12.947 861 HG3 PRO 128 2HG PRO 128 -19.466 -37.141 -14.519 862 HD2 PRO 128 1HD PRO 128 -18.131 -35.393 -12.940 863 HD3 PRO 128 2HD PRO 128 -18.049 -35.333 -14.713 864 H SER 129 H SER 129 -20.180 -33.949 -11.737 865 HA SER 129 HA SER 129 -22.691 -34.357 -10.510 866 HB2 SER 129 1HB SER 129 -20.049 -33.292 -9.541 867 HB3 SER 129 2HB SER 129 -21.463 -33.295 -8.487 868 HG SER 129 HG SER 129 -19.921 -35.228 -8.605 869 H SER 130 H SER 130 -24.030 -32.877 -9.392 870 HA SER 130 HA SER 130 -24.232 -30.309 -10.727 871 HB2 SER 130 1HB SER 130 -26.022 -31.718 -8.737 872 HB3 SER 130 2HB SER 130 -26.368 -30.122 -9.402 873 HG SER 130 HG SER 130 -25.790 -32.172 -11.201 874 H GLY 131 H GLY 131 -24.088 -31.460 -7.353 875 HA2 GLY 131 1HA GLY 131 -22.753 -28.926 -6.658 876 HA3 GLY 131 2HA GLY 131 -24.112 -29.496 -5.700 Start of MODEL 4 1 H1 GLY 1 H GLY 1 27.293 71.267 10.374 2 HA2 GLY 1 1HA GLY 1 28.277 70.991 7.899 3 HA3 GLY 1 2HA GLY 1 28.351 69.334 8.480 4 H SER 2 H SER 2 26.812 70.212 6.270 5 HA SER 2 HA SER 2 24.276 69.106 6.999 6 HB2 SER 2 1HB SER 2 24.560 72.050 6.603 7 HB3 SER 2 2HB SER 2 23.125 71.261 5.948 8 HG SER 2 HG SER 2 23.780 71.818 8.538 9 H SER 3 H SER 3 23.768 67.843 5.350 10 HA SER 3 HA SER 3 23.838 68.805 2.637 11 HB2 SER 3 1HB SER 3 25.606 66.468 3.398 12 HB3 SER 3 2HB SER 3 25.351 67.095 1.770 13 HG SER 3 HG SER 3 27.107 68.173 2.309 14 H GLY 4 H GLY 4 23.216 66.913 1.102 15 HA2 GLY 4 1HA GLY 4 22.064 64.562 1.731 16 HA3 GLY 4 2HA GLY 4 20.839 65.713 2.243 17 H SER 5 H SER 5 19.310 65.123 0.738 18 HA SER 5 HA SER 5 18.188 65.222 -1.240 19 HB2 SER 5 1HB SER 5 20.494 66.951 -2.166 20 HB3 SER 5 2HB SER 5 18.911 66.826 -2.932 21 HG SER 5 HG SER 5 19.689 68.292 -0.765 22 H SER 6 H SER 6 19.765 62.998 -0.776 23 HA SER 6 HA SER 6 21.185 62.427 -3.259 24 HB2 SER 6 1HB SER 6 21.891 60.360 -2.156 25 HB3 SER 6 2HB SER 6 22.203 61.747 -1.111 26 HG SER 6 HG SER 6 20.267 61.229 0.005 27 H GLY 7 H GLY 7 20.702 60.561 -4.544 28 HA2 GLY 7 1HA GLY 7 19.165 58.652 -4.890 29 HA3 GLY 7 2HA GLY 7 17.879 59.711 -4.329 30 H ASP 8 H ASP 8 16.932 58.966 -6.418 31 HA ASP 8 HA ASP 8 17.229 61.028 -8.374 32 HB2 ASP 8 1HB ASP 8 18.426 58.339 -8.859 33 HB3 ASP 8 2HB ASP 8 17.610 59.136 -10.201 34 H VAL 9 H VAL 9 15.611 60.913 -10.049 35 HA VAL 9 HA VAL 9 13.231 59.494 -9.134 36 HB VAL 9 HB VAL 9 13.517 61.586 -11.296 37 HG11 VAL 9 1HG1 VAL 9 11.324 59.859 -10.492 38 HG12 VAL 9 2HG1 VAL 9 10.903 61.570 -10.410 39 HG13 VAL 9 3HG1 VAL 9 11.496 60.878 -11.920 40 HG21 VAL 9 1HG2 VAL 9 13.869 62.045 -8.681 41 HG22 VAL 9 2HG2 VAL 9 13.109 63.209 -9.767 42 HG23 VAL 9 3HG2 VAL 9 12.111 62.160 -8.759 43 H THR 10 H THR 10 12.619 57.642 -10.015 44 HA THR 10 HA THR 10 13.168 57.144 -12.851 45 HB THR 10 HB THR 10 13.854 55.249 -10.600 46 HG1 THR 10 1HG THR 10 15.328 57.011 -11.603 47 HG21 THR 10 1HG2 THR 10 13.140 53.655 -12.033 48 HG22 THR 10 2HG2 THR 10 14.668 53.980 -12.852 49 HG23 THR 10 3HG2 THR 10 13.182 54.739 -13.422 50 H TYR 11 H TYR 11 11.684 55.816 -13.888 51 HA TYR 11 HA TYR 11 9.160 55.480 -12.456 52 HB2 TYR 11 1HB TYR 11 8.248 55.032 -14.761 53 HB3 TYR 11 2HB TYR 11 8.938 56.636 -14.537 54 HD1 TYR 11 1HD TYR 11 9.427 53.348 -16.113 55 HD2 TYR 11 2HD TYR 11 10.905 57.320 -15.735 56 HE1 TYR 11 1HE TYR 11 10.890 52.982 -18.057 57 HE2 TYR 11 2HE TYR 11 12.371 56.965 -17.679 58 HH TYR 11 HH TYR 11 12.924 55.588 -19.340 59 H ASP 12 H ASP 12 8.003 53.525 -12.448 60 HA ASP 12 HA ASP 12 9.543 51.128 -13.181 61 HB2 ASP 12 1HB ASP 12 8.524 50.058 -11.100 62 HB3 ASP 12 2HB ASP 12 9.815 51.227 -10.834 63 H GLY 13 H GLY 13 6.333 52.338 -12.225 64 HA2 GLY 13 1HA GLY 13 4.381 52.047 -13.538 65 HA3 GLY 13 2HA GLY 13 5.163 50.703 -14.357 66 H HIS 14 H HIS 14 2.528 51.028 -12.914 67 HA HIS 14 HA HIS 14 2.442 49.660 -10.515 68 HB2 HIS 14 1HB HIS 14 0.505 49.939 -12.784 69 HB3 HIS 14 2HB HIS 14 0.125 48.859 -11.445 70 HD1 HIS 14 1HD HIS 14 -0.759 49.908 -9.343 71 HD2 HIS 14 2HD HIS 14 0.786 52.706 -11.997 72 HE1 HIS 14 1HE HIS 14 -1.377 52.152 -8.390 73 HE2 HIS 14 2HE HIS 14 -0.506 53.827 -10.057 74 HA PRO 15 HA PRO 15 3.670 45.532 -11.414 75 HB2 PRO 15 1HB PRO 15 2.421 44.250 -9.373 76 HB3 PRO 15 2HB PRO 15 3.859 45.252 -9.142 77 HG2 PRO 15 1HG PRO 15 0.981 45.937 -8.686 78 HG3 PRO 15 2HG PRO 15 2.392 46.305 -7.677 79 HD2 PRO 15 1HD PRO 15 1.272 48.127 -9.338 80 HD3 PRO 15 2HD PRO 15 3.011 48.103 -8.980 81 H VAL 16 H VAL 16 2.820 44.613 -13.189 82 HA VAL 16 HA VAL 16 0.210 44.468 -13.999 83 HB VAL 16 HB VAL 16 0.830 42.537 -15.387 84 HG11 VAL 16 1HG1 VAL 16 3.283 43.952 -15.811 85 HG12 VAL 16 2HG1 VAL 16 1.796 43.991 -16.760 86 HG13 VAL 16 3HG1 VAL 16 2.003 45.092 -15.398 87 HG21 VAL 16 1HG2 VAL 16 2.142 41.185 -13.989 88 HG22 VAL 16 2HG2 VAL 16 3.263 41.782 -15.212 89 HG23 VAL 16 3HG2 VAL 16 3.247 42.505 -13.603 90 HA PRO 17 HA PRO 17 -1.866 41.685 -11.292 91 HB2 PRO 17 1HB PRO 17 -3.877 40.897 -12.936 92 HB3 PRO 17 2HB PRO 17 -3.816 42.499 -12.193 93 HG2 PRO 17 1HG PRO 17 -3.040 41.665 -14.961 94 HG3 PRO 17 2HG PRO 17 -3.943 43.098 -14.436 95 HD2 PRO 17 1HD PRO 17 -1.311 43.184 -15.066 96 HD3 PRO 17 2HD PRO 17 -2.032 44.235 -13.830 97 H GLY 18 H GLY 18 -0.195 40.719 -14.050 98 HA2 GLY 18 1HA GLY 18 -0.429 37.902 -13.228 99 HA3 GLY 18 2HA GLY 18 -0.602 38.328 -14.924 100 H SER 19 H SER 19 1.597 37.914 -12.276 101 HA SER 19 HA SER 19 3.871 38.521 -14.038 102 HB2 SER 19 1HB SER 19 3.656 38.361 -11.028 103 HB3 SER 19 2HB SER 19 5.196 38.487 -11.878 104 HG SER 19 HG SER 19 4.753 40.510 -12.424 105 HA PRO 20 HA PRO 20 3.851 33.938 -14.031 106 HB2 PRO 20 1HB PRO 20 4.934 33.728 -16.512 107 HB3 PRO 20 2HB PRO 20 3.203 33.959 -16.236 108 HG2 PRO 20 1HG PRO 20 5.291 35.976 -16.966 109 HG3 PRO 20 2HG PRO 20 3.645 35.791 -17.599 110 HD2 PRO 20 1HD PRO 20 4.288 37.642 -15.731 111 HD3 PRO 20 2HD PRO 20 2.695 36.861 -15.791 112 H TYR 21 H TYR 21 6.131 36.292 -13.722 113 HA TYR 21 HA TYR 21 8.488 34.703 -14.220 114 HB2 TYR 21 1HB TYR 21 9.725 36.618 -13.722 115 HB3 TYR 21 2HB TYR 21 8.245 37.276 -14.411 116 HD1 TYR 21 1HD TYR 21 6.676 36.554 -11.734 117 HD2 TYR 21 2HD TYR 21 10.187 38.778 -12.642 118 HE1 TYR 21 1HE TYR 21 6.334 37.908 -9.709 119 HE2 TYR 21 2HE TYR 21 9.856 40.138 -10.620 120 HH TYR 21 HH TYR 21 6.970 40.150 -8.866 121 H THR 22 H THR 22 6.743 33.440 -12.433 122 HA THR 22 HA THR 22 8.245 33.604 -9.901 123 HB THR 22 HB THR 22 6.199 32.566 -8.847 124 HG1 THR 22 1HG THR 22 5.155 33.178 -11.420 125 HG21 THR 22 1HG2 THR 22 5.368 35.172 -10.028 126 HG22 THR 22 2HG2 THR 22 6.842 35.119 -9.062 127 HG23 THR 22 3HG2 THR 22 5.306 34.621 -8.354 128 H VAL 23 H VAL 23 9.647 31.977 -9.795 129 HA VAL 23 HA VAL 23 9.533 29.614 -11.298 130 HB VAL 23 HB VAL 23 11.272 28.752 -9.747 131 HG11 VAL 23 1HG1 VAL 23 12.719 31.020 -10.061 132 HG12 VAL 23 2HG1 VAL 23 12.407 29.854 -11.348 133 HG13 VAL 23 3HG1 VAL 23 11.407 31.301 -11.206 134 HG21 VAL 23 1HG2 VAL 23 12.123 30.537 -8.085 135 HG22 VAL 23 2HG2 VAL 23 10.496 31.206 -8.212 136 HG23 VAL 23 3HG2 VAL 23 10.729 29.556 -7.634 137 H GLU 24 H GLU 24 8.337 27.848 -11.082 138 HA GLU 24 HA GLU 24 7.022 27.354 -8.495 139 HB2 GLU 24 1HB GLU 24 6.210 26.493 -11.277 140 HB3 GLU 24 2HB GLU 24 5.363 26.049 -9.802 141 HG2 GLU 24 1HG GLU 24 4.826 28.367 -9.372 142 HG3 GLU 24 2HG GLU 24 5.750 28.866 -10.788 143 H ALA 25 H ALA 25 9.671 26.539 -8.840 144 HA ALA 25 HA ALA 25 9.610 23.695 -9.463 145 HB1 ALA 25 1HB ALA 25 12.117 24.030 -8.673 146 HB2 ALA 25 2HB ALA 25 11.577 24.495 -10.286 147 HB3 ALA 25 3HB ALA 25 11.738 25.716 -9.025 148 H SER 26 H SER 26 8.107 24.680 -7.175 149 HA SER 26 HA SER 26 8.871 22.734 -5.270 150 HB2 SER 26 1HB SER 26 10.582 24.584 -4.863 151 HB3 SER 26 2HB SER 26 9.236 25.563 -4.282 152 HG SER 26 HG SER 26 10.317 24.420 -2.596 153 H LEU 27 H LEU 27 7.041 22.090 -4.358 154 HA LEU 27 HA LEU 27 5.001 24.041 -3.628 155 HB2 LEU 27 1HB LEU 27 4.454 21.669 -5.405 156 HB3 LEU 27 2HB LEU 27 3.223 22.708 -4.690 157 HG LEU 27 HG LEU 27 5.310 23.874 -6.490 158 HD11 LEU 27 1HD1 LEU 27 3.163 23.503 -8.131 159 HD12 LEU 27 2HD1 LEU 27 3.212 21.982 -7.240 160 HD13 LEU 27 3HD1 LEU 27 4.630 22.524 -8.138 161 HD21 LEU 27 1HD2 LEU 27 3.883 25.655 -6.662 162 HD22 LEU 27 2HD2 LEU 27 3.501 25.106 -5.030 163 HD23 LEU 27 3HD2 LEU 27 2.445 24.674 -6.376 164 HA PRO 28 HA PRO 28 4.628 21.447 -0.096 165 HB2 PRO 28 1HB PRO 28 2.131 22.140 0.714 166 HB3 PRO 28 2HB PRO 28 3.531 23.204 0.899 167 HG2 PRO 28 1HG PRO 28 1.396 23.230 -1.200 168 HG3 PRO 28 2HG PRO 28 2.127 24.592 -0.330 169 HD2 PRO 28 1HD PRO 28 2.855 23.913 -2.848 170 HD3 PRO 28 2HD PRO 28 3.993 24.618 -1.682 171 HA PRO 29 HA PRO 29 2.561 17.768 -1.390 172 HB2 PRO 29 1HB PRO 29 2.430 16.493 1.003 173 HB3 PRO 29 2HB PRO 29 3.931 16.660 0.085 174 HG2 PRO 29 1HG PRO 29 2.945 18.267 2.410 175 HG3 PRO 29 2HG PRO 29 4.573 17.641 2.093 176 HD2 PRO 29 1HD PRO 29 3.884 20.216 1.619 177 HD3 PRO 29 2HD PRO 29 5.083 19.352 0.635 178 H ASP 30 H ASP 30 0.479 17.941 -1.972 179 HA ASP 30 HA ASP 30 -1.521 18.563 0.091 180 HB2 ASP 30 1HB ASP 30 -1.376 19.035 -2.849 181 HB3 ASP 30 2HB ASP 30 -2.964 18.772 -2.135 182 HA PRO 31 HA PRO 31 -2.156 14.071 -0.472 183 HB2 PRO 31 1HB PRO 31 -3.124 13.688 2.036 184 HB3 PRO 31 2HB PRO 31 -1.395 13.730 1.669 185 HG2 PRO 31 1HG PRO 31 -3.150 15.888 2.776 186 HG3 PRO 31 2HG PRO 31 -1.512 15.416 3.266 187 HD2 PRO 31 1HD PRO 31 -1.998 17.555 1.680 188 HD3 PRO 31 2HD PRO 31 -0.525 16.576 1.537 189 H SER 32 H SER 32 -4.244 16.675 0.504 190 HA SER 32 HA SER 32 -6.679 15.196 0.512 191 HB2 SER 32 1HB SER 32 -5.929 18.083 0.580 192 HB3 SER 32 2HB SER 32 -7.582 17.669 0.125 193 HG SER 32 HG SER 32 -7.983 17.152 2.122 194 H LYS 33 H LYS 33 -4.627 15.914 -1.957 195 HA LYS 33 HA LYS 33 -6.767 16.194 -3.951 196 HB2 LYS 33 1HB LYS 33 -3.784 16.619 -4.207 197 HB3 LYS 33 2HB LYS 33 -4.942 16.805 -5.517 198 HG2 LYS 33 1HG LYS 33 -5.376 18.361 -3.024 199 HG3 LYS 33 2HG LYS 33 -4.091 18.867 -4.123 200 HD2 LYS 33 1HD LYS 33 -5.863 20.068 -4.957 201 HD3 LYS 33 2HD LYS 33 -5.973 18.604 -5.936 202 HE2 LYS 33 1HE LYS 33 -7.824 17.826 -4.801 203 HE3 LYS 33 2HE LYS 33 -7.451 18.752 -3.348 204 HZ1 LYS 33 1HZ LYS 33 -7.989 20.782 -4.682 205 HZ2 LYS 33 2HZ LYS 33 -9.306 19.770 -4.363 206 HZ3 LYS 33 3HZ LYS 33 -8.585 19.762 -5.893 207 H VAL 34 H VAL 34 -4.303 14.063 -2.777 208 HA VAL 34 HA VAL 34 -3.928 12.384 -4.969 209 HB VAL 34 HB VAL 34 -3.910 11.721 -2.023 210 HG11 VAL 34 1HG1 VAL 34 -3.865 9.963 -4.269 211 HG12 VAL 34 2HG1 VAL 34 -2.284 9.936 -3.486 212 HG13 VAL 34 3HG1 VAL 34 -3.738 9.574 -2.554 213 HG21 VAL 34 1HG2 VAL 34 -1.955 12.831 -3.934 214 HG22 VAL 34 2HG2 VAL 34 -2.099 13.066 -2.192 215 HG23 VAL 34 3HG2 VAL 34 -1.346 11.602 -2.825 216 H LYS 35 H LYS 35 -5.577 11.604 -6.134 217 HA LYS 35 HA LYS 35 -7.878 10.438 -4.727 218 HB2 LYS 35 1HB LYS 35 -7.499 11.577 -7.475 219 HB3 LYS 35 2HB LYS 35 -8.807 10.441 -7.170 220 HG2 LYS 35 1HG LYS 35 -9.877 11.890 -5.684 221 HG3 LYS 35 2HG LYS 35 -8.435 12.887 -5.478 222 HD2 LYS 35 1HD LYS 35 -9.648 14.214 -6.900 223 HD3 LYS 35 2HD LYS 35 -8.733 13.260 -8.070 224 HE2 LYS 35 1HE LYS 35 -10.946 13.227 -8.854 225 HE3 LYS 35 2HE LYS 35 -10.716 11.663 -8.074 226 HZ1 LYS 35 1HZ LYS 35 -12.694 13.514 -7.549 227 HZ2 LYS 35 2HZ LYS 35 -11.663 13.574 -6.210 228 HZ3 LYS 35 3HZ LYS 35 -12.359 12.104 -6.676 229 H ALA 36 H ALA 36 -8.031 8.305 -4.584 230 HA ALA 36 HA ALA 36 -6.450 6.655 -6.442 231 HB1 ALA 36 1HB ALA 36 -7.381 5.187 -4.161 232 HB2 ALA 36 2HB ALA 36 -5.727 5.505 -4.688 233 HB3 ALA 36 3HB ALA 36 -6.555 6.656 -3.639 234 H HIS 37 H HIS 37 -7.584 5.647 -7.954 235 HA HIS 37 HA HIS 37 -10.157 4.449 -7.269 236 HB2 HIS 37 1HB HIS 37 -11.117 5.316 -9.441 237 HB3 HIS 37 2HB HIS 37 -10.888 6.527 -8.183 238 HD1 HIS 37 1HD HIS 37 -9.180 5.286 -11.335 239 HD2 HIS 37 2HD HIS 37 -9.403 8.678 -8.946 240 HE1 HIS 37 1HE HIS 37 -7.898 7.063 -12.569 241 HE2 HIS 37 2HE HIS 37 -7.975 9.082 -11.064 242 H GLY 38 H GLY 38 -10.337 2.450 -8.067 243 HA2 GLY 38 1HA GLY 38 -9.562 1.578 -10.593 244 HA3 GLY 38 2HA GLY 38 -8.211 1.263 -9.514 245 HA PRO 39 HA PRO 39 -11.415 -2.208 -9.394 246 HB2 PRO 39 1HB PRO 39 -9.852 -4.139 -10.490 247 HB3 PRO 39 2HB PRO 39 -10.892 -3.083 -11.453 248 HG2 PRO 39 1HG PRO 39 -7.950 -2.885 -10.936 249 HG3 PRO 39 2HG PRO 39 -8.837 -2.651 -12.454 250 HD2 PRO 39 1HD PRO 39 -7.982 -0.581 -10.932 251 HD3 PRO 39 2HD PRO 39 -9.468 -0.504 -11.900 252 H GLY 40 H GLY 40 -7.973 -1.988 -8.687 253 HA2 GLY 40 1HA GLY 40 -7.871 -4.210 -6.911 254 HA3 GLY 40 2HA GLY 40 -6.683 -2.920 -7.025 255 H LEU 41 H LEU 41 -9.120 -1.050 -6.573 256 HA LEU 41 HA LEU 41 -8.759 -0.912 -3.709 257 HB2 LEU 41 1HB LEU 41 -10.501 0.799 -5.473 258 HB3 LEU 41 2HB LEU 41 -9.971 1.163 -3.832 259 HG LEU 41 HG LEU 41 -8.140 0.960 -6.221 260 HD11 LEU 41 1HD1 LEU 41 -8.280 3.208 -6.537 261 HD12 LEU 41 2HD1 LEU 41 -8.713 3.533 -4.859 262 HD13 LEU 41 3HD1 LEU 41 -9.924 2.903 -5.975 263 HD21 LEU 41 1HD2 LEU 41 -7.728 1.202 -3.342 264 HD22 LEU 41 2HD2 LEU 41 -6.909 2.453 -4.278 265 HD23 LEU 41 3HD2 LEU 41 -6.597 0.750 -4.617 266 H GLU 42 H GLU 42 -11.492 -1.337 -5.946 267 HA GLU 42 HA GLU 42 -13.448 -1.677 -3.934 268 HB2 GLU 42 1HB GLU 42 -14.936 -2.123 -5.647 269 HB3 GLU 42 2HB GLU 42 -13.702 -1.194 -6.487 270 HG2 GLU 42 1HG GLU 42 -12.733 -3.193 -7.392 271 HG3 GLU 42 2HG GLU 42 -13.820 -4.200 -6.437 272 H GLY 43 H GLY 43 -11.187 -3.852 -5.455 273 HA2 GLY 43 1HA GLY 43 -11.044 -5.771 -3.572 274 HA3 GLY 43 2HA GLY 43 -12.497 -6.232 -4.447 275 H GLY 44 H GLY 44 -11.085 -8.201 -4.745 276 HA2 GLY 44 1HA GLY 44 -10.096 -8.208 -7.418 277 HA3 GLY 44 2HA GLY 44 -8.776 -8.281 -6.260 278 H LEU 45 H LEU 45 -8.116 -10.346 -6.738 279 HA LEU 45 HA LEU 45 -9.869 -12.465 -5.746 280 HB2 LEU 45 1HB LEU 45 -8.487 -12.503 -8.424 281 HB3 LEU 45 2HB LEU 45 -9.221 -13.913 -7.662 282 HG LEU 45 HG LEU 45 -10.881 -11.484 -8.191 283 HD11 LEU 45 1HD1 LEU 45 -10.444 -13.647 -10.233 284 HD12 LEU 45 2HD1 LEU 45 -9.601 -12.099 -10.276 285 HD13 LEU 45 3HD1 LEU 45 -11.359 -12.149 -10.407 286 HD21 LEU 45 1HD2 LEU 45 -11.935 -13.167 -6.891 287 HD22 LEU 45 2HD2 LEU 45 -11.380 -14.445 -7.972 288 HD23 LEU 45 3HD2 LEU 45 -12.598 -13.293 -8.521 289 H VAL 46 H VAL 46 -8.777 -14.308 -4.982 290 HA VAL 46 HA VAL 46 -6.265 -13.823 -3.804 291 HB VAL 46 HB VAL 46 -7.552 -16.520 -4.239 292 HG11 VAL 46 1HG1 VAL 46 -6.345 -16.787 -1.911 293 HG12 VAL 46 2HG1 VAL 46 -5.474 -17.030 -3.427 294 HG13 VAL 46 3HG1 VAL 46 -5.319 -15.505 -2.554 295 HG21 VAL 46 1HG2 VAL 46 -7.909 -15.273 -1.630 296 HG22 VAL 46 2HG2 VAL 46 -8.694 -14.383 -2.934 297 HG23 VAL 46 3HG2 VAL 46 -9.083 -16.082 -2.669 298 H GLY 47 H GLY 47 -4.214 -14.578 -4.268 299 HA2 GLY 47 1HA GLY 47 -2.451 -15.137 -5.629 300 HA3 GLY 47 2HA GLY 47 -3.492 -16.429 -6.210 301 H LYS 48 H LYS 48 -4.649 -13.228 -6.634 302 HA LYS 48 HA LYS 48 -3.801 -13.280 -9.456 303 HB2 LYS 48 1HB LYS 48 -6.491 -12.735 -8.250 304 HB3 LYS 48 2HB LYS 48 -6.050 -11.983 -9.778 305 HG2 LYS 48 1HG LYS 48 -5.477 -14.359 -10.555 306 HG3 LYS 48 2HG LYS 48 -6.402 -14.889 -9.148 307 HD2 LYS 48 1HD LYS 48 -8.393 -14.057 -9.980 308 HD3 LYS 48 2HD LYS 48 -7.585 -12.894 -11.034 309 HE2 LYS 48 1HE LYS 48 -7.581 -15.887 -11.414 310 HE3 LYS 48 2HE LYS 48 -8.618 -14.755 -12.281 311 HZ1 LYS 48 1HZ LYS 48 -6.966 -14.777 -13.770 312 HZ2 LYS 48 2HZ LYS 48 -5.820 -15.362 -12.671 313 HZ3 LYS 48 3HZ LYS 48 -6.188 -13.711 -12.711 314 HA PRO 49 HA PRO 49 -2.179 -9.245 -8.794 315 HB2 PRO 49 1HB PRO 49 -2.280 -8.293 -11.335 316 HB3 PRO 49 2HB PRO 49 -1.104 -9.503 -10.808 317 HG2 PRO 49 1HG PRO 49 -3.681 -9.882 -12.284 318 HG3 PRO 49 2HG PRO 49 -2.107 -10.649 -12.565 319 HD2 PRO 49 1HD PRO 49 -4.120 -11.893 -11.248 320 HD3 PRO 49 2HD PRO 49 -2.410 -12.180 -10.869 321 H ALA 50 H ALA 50 -2.939 -7.277 -8.236 322 HA ALA 50 HA ALA 50 -5.396 -6.264 -9.439 323 HB1 ALA 50 1HB ALA 50 -5.246 -7.397 -6.772 324 HB2 ALA 50 2HB ALA 50 -5.822 -5.729 -6.762 325 HB3 ALA 50 3HB ALA 50 -6.655 -6.944 -7.732 326 H GLU 51 H GLU 51 -4.903 -4.277 -10.076 327 HA GLU 51 HA GLU 51 -3.332 -2.571 -8.263 328 HB2 GLU 51 1HB GLU 51 -2.505 -1.490 -10.480 329 HB3 GLU 51 2HB GLU 51 -1.751 -2.972 -9.909 330 HG2 GLU 51 1HG GLU 51 -3.328 -4.222 -11.421 331 HG3 GLU 51 2HG GLU 51 -3.769 -2.660 -12.110 332 H PHE 52 H PHE 52 -3.516 -0.186 -9.041 333 HA PHE 52 HA PHE 52 -6.146 0.430 -10.138 334 HB2 PHE 52 1HB PHE 52 -6.386 2.117 -8.158 335 HB3 PHE 52 2HB PHE 52 -6.842 0.433 -7.923 336 HD1 PHE 52 2HD PHE 52 -4.378 3.021 -7.138 337 HD2 PHE 52 1HD PHE 52 -5.556 -1.018 -6.500 338 HE1 PHE 52 2HE PHE 52 -2.827 2.873 -5.234 339 HE2 PHE 52 1HE PHE 52 -4.008 -1.173 -4.594 340 HZ PHE 52 HZ PHE 52 -2.640 0.774 -3.959 341 H THR 53 H THR 53 -6.378 2.984 -10.062 342 HA THR 53 HA THR 53 -3.850 4.049 -11.131 343 HB THR 53 HB THR 53 -6.552 5.234 -11.712 344 HG1 THR 53 1HG THR 53 -6.419 3.907 -13.678 345 HG21 THR 53 1HG2 THR 53 -5.360 6.636 -12.966 346 HG22 THR 53 2HG2 THR 53 -4.693 5.281 -13.877 347 HG23 THR 53 3HG2 THR 53 -3.879 5.850 -12.420 348 H ILE 54 H ILE 54 -2.888 5.645 -10.062 349 HA ILE 54 HA ILE 54 -4.462 7.135 -8.066 350 HB ILE 54 HB ILE 54 -1.493 6.579 -8.100 351 HG12 ILE 54 1HG1 ILE 54 -3.599 5.621 -6.154 352 HG13 ILE 54 2HG1 ILE 54 -3.010 4.660 -7.507 353 HG21 ILE 54 1HG2 ILE 54 -2.626 7.612 -5.634 354 HG22 ILE 54 2HG2 ILE 54 -1.197 8.130 -6.527 355 HG23 ILE 54 3HG2 ILE 54 -2.788 8.742 -6.979 356 HD11 ILE 54 1HD1 ILE 54 -1.379 3.914 -6.221 357 HD12 ILE 54 2HD1 ILE 54 -0.748 5.556 -6.091 358 HD13 ILE 54 3HD1 ILE 54 -1.907 4.960 -4.903 359 H ASP 55 H ASP 55 -4.632 9.281 -8.251 360 HA ASP 55 HA ASP 55 -3.100 10.594 -10.388 361 HB2 ASP 55 1HB ASP 55 -5.681 10.561 -10.364 362 HB3 ASP 55 2HB ASP 55 -5.547 11.740 -9.063 363 H THR 56 H THR 56 -1.370 11.642 -9.675 364 HA THR 56 HA THR 56 -1.570 13.106 -7.124 365 HB THR 56 HB THR 56 0.801 12.800 -6.785 366 HG1 THR 56 1HG THR 56 1.802 11.233 -8.408 367 HG21 THR 56 1HG2 THR 56 -0.553 10.207 -7.540 368 HG22 THR 56 2HG2 THR 56 -0.609 11.003 -5.967 369 HG23 THR 56 3HG2 THR 56 0.911 10.339 -6.566 370 H LYS 57 H LYS 57 -2.280 14.062 -9.795 371 HA LYS 57 HA LYS 57 -0.164 15.865 -10.587 372 HB2 LYS 57 1HB LYS 57 -3.035 15.741 -11.530 373 HB3 LYS 57 2HB LYS 57 -1.723 16.623 -12.302 374 HG2 LYS 57 1HG LYS 57 -0.646 14.630 -12.969 375 HG3 LYS 57 2HG LYS 57 -1.675 13.642 -11.929 376 HD2 LYS 57 1HD LYS 57 -3.538 13.915 -13.322 377 HD3 LYS 57 2HD LYS 57 -2.829 15.305 -14.146 378 HE2 LYS 57 1HE LYS 57 -1.061 13.728 -15.019 379 HE3 LYS 57 2HE LYS 57 -2.049 12.408 -14.395 380 HZ1 LYS 57 1HZ LYS 57 -3.872 13.705 -15.790 381 HZ2 LYS 57 2HZ LYS 57 -2.888 12.513 -16.475 382 HZ3 LYS 57 3HZ LYS 57 -2.508 14.148 -16.687 383 H GLY 58 H GLY 58 0.240 17.637 -9.440 384 HA2 GLY 58 1HA GLY 58 -0.430 19.873 -8.868 385 HA3 GLY 58 2HA GLY 58 -2.048 19.264 -8.553 386 H ALA 59 H ALA 59 -1.186 16.981 -7.011 387 HA ALA 59 HA ALA 59 -1.397 17.798 -4.460 388 HB1 ALA 59 1HB ALA 59 -1.358 15.461 -5.001 389 HB2 ALA 59 2HB ALA 59 0.342 15.552 -5.467 390 HB3 ALA 59 3HB ALA 59 -0.124 15.775 -3.780 391 H GLY 60 H GLY 60 1.748 17.371 -6.096 392 HA2 GLY 60 1HA GLY 60 3.150 19.512 -5.579 393 HA3 GLY 60 2HA GLY 60 3.022 18.896 -3.938 394 H THR 61 H THR 61 4.834 17.944 -3.324 395 HA THR 61 HA THR 61 5.998 15.844 -4.925 396 HB THR 61 HB THR 61 7.669 18.278 -4.265 397 HG1 THR 61 1HG THR 61 7.268 17.327 -6.876 398 HG21 THR 61 1HG2 THR 61 8.851 16.087 -4.109 399 HG22 THR 61 2HG2 THR 61 9.478 17.142 -5.376 400 HG23 THR 61 3HG2 THR 61 8.428 15.789 -5.795 401 H GLY 62 H GLY 62 6.585 14.269 -3.584 402 HA2 GLY 62 1HA GLY 62 8.146 14.601 -1.276 403 HA3 GLY 62 2HA GLY 62 6.460 14.514 -0.785 404 H GLY 63 H GLY 63 6.501 12.557 0.234 405 HA2 GLY 63 1HA GLY 63 7.167 10.239 -1.475 406 HA3 GLY 63 2HA GLY 63 7.517 10.278 0.247 407 H LEU 64 H LEU 64 5.992 8.275 -1.044 408 HA LEU 64 HA LEU 64 3.416 8.680 0.313 409 HB2 LEU 64 1HB LEU 64 3.046 8.957 -2.070 410 HB3 LEU 64 2HB LEU 64 3.839 7.417 -2.392 411 HG LEU 64 HG LEU 64 1.908 6.498 -0.838 412 HD11 LEU 64 1HD1 LEU 64 0.513 8.825 -2.122 413 HD12 LEU 64 2HD1 LEU 64 1.110 8.887 -0.465 414 HD13 LEU 64 3HD1 LEU 64 -0.106 7.694 -0.919 415 HD21 LEU 64 1HD2 LEU 64 0.482 6.477 -3.049 416 HD22 LEU 64 2HD2 LEU 64 1.985 5.563 -2.925 417 HD23 LEU 64 3HD2 LEU 64 1.967 7.123 -3.747 418 H GLY 65 H GLY 65 2.840 7.068 1.640 419 HA2 GLY 65 1HA GLY 65 4.499 4.633 1.596 420 HA3 GLY 65 2HA GLY 65 3.680 5.272 3.014 421 H LEU 66 H LEU 66 3.629 2.763 1.016 422 HA LEU 66 HA LEU 66 0.702 2.471 1.185 423 HB2 LEU 66 1HB LEU 66 1.879 2.686 -1.140 424 HB3 LEU 66 2HB LEU 66 2.314 1.002 -0.854 425 HG LEU 66 HG LEU 66 -0.170 0.563 -0.553 426 HD11 LEU 66 1HD1 LEU 66 -1.146 2.640 -0.220 427 HD12 LEU 66 2HD1 LEU 66 -1.537 2.287 -1.903 428 HD13 LEU 66 3HD1 LEU 66 -0.221 3.396 -1.517 429 HD21 LEU 66 1HD2 LEU 66 0.554 -0.315 -2.517 430 HD22 LEU 66 2HD2 LEU 66 1.261 1.204 -3.068 431 HD23 LEU 66 3HD2 LEU 66 -0.482 0.955 -3.169 432 H THR 67 H THR 67 0.201 1.034 2.691 433 HA THR 67 HA THR 67 1.774 -1.443 2.857 434 HB THR 67 HB THR 67 1.424 -1.402 5.355 435 HG1 THR 67 1HG THR 67 0.411 0.247 6.206 436 HG21 THR 67 1HG2 THR 67 3.384 -0.126 3.767 437 HG22 THR 67 2HG2 THR 67 3.555 -0.756 5.405 438 HG23 THR 67 3HG2 THR 67 3.077 0.922 5.151 439 H VAL 68 H VAL 68 0.553 -3.209 2.745 440 HA VAL 68 HA VAL 68 -2.338 -2.946 2.823 441 HB VAL 68 HB VAL 68 -0.569 -5.297 2.140 442 HG11 VAL 68 1HG1 VAL 68 -2.866 -6.096 1.161 443 HG12 VAL 68 2HG1 VAL 68 -2.464 -6.382 2.856 444 HG13 VAL 68 3HG1 VAL 68 -3.527 -5.046 2.413 445 HG21 VAL 68 1HG2 VAL 68 -0.390 -4.220 0.195 446 HG22 VAL 68 2HG2 VAL 68 -2.090 -4.611 -0.062 447 HG23 VAL 68 3HG2 VAL 68 -1.639 -3.055 0.634 448 H GLU 69 H GLU 69 -3.123 -2.867 4.854 449 HA GLU 69 HA GLU 69 -2.071 -4.668 6.891 450 HB2 GLU 69 1HB GLU 69 -4.012 -2.364 6.974 451 HB3 GLU 69 2HB GLU 69 -3.745 -3.416 8.357 452 HG2 GLU 69 1HG GLU 69 -1.462 -2.034 7.006 453 HG3 GLU 69 2HG GLU 69 -2.445 -1.210 8.215 454 H GLY 70 H GLY 70 -2.853 -6.633 5.950 455 HA2 GLY 70 1HA GLY 70 -5.747 -7.022 6.398 456 HA3 GLY 70 2HA GLY 70 -4.912 -7.746 5.031 457 HA PRO 71 HA PRO 71 -5.043 -10.859 8.462 458 HB2 PRO 71 1HB PRO 71 -5.825 -12.920 6.877 459 HB3 PRO 71 2HB PRO 71 -6.967 -11.801 7.631 460 HG2 PRO 71 1HG PRO 71 -5.904 -11.822 4.833 461 HG3 PRO 71 2HG PRO 71 -7.561 -11.542 5.398 462 HD2 PRO 71 1HD PRO 71 -5.905 -9.522 4.685 463 HD3 PRO 71 2HD PRO 71 -7.136 -9.346 5.953 464 H CYS 72 H CYS 72 -3.356 -10.378 5.558 465 HA CYS 72 HA CYS 72 -1.160 -12.008 6.488 466 HB2 CYS 72 1HB CYS 72 -2.814 -13.393 4.964 467 HB3 CYS 72 2HB CYS 72 -1.990 -12.538 3.666 468 HG CYS 72 HG CYS 72 -0.951 -15.104 5.510 469 H GLU 73 H GLU 73 0.807 -11.674 5.195 470 HA GLU 73 HA GLU 73 0.970 -8.912 4.341 471 HB2 GLU 73 1HB GLU 73 2.687 -10.019 5.813 472 HB3 GLU 73 2HB GLU 73 3.177 -10.972 4.420 473 HG2 GLU 73 1HG GLU 73 3.932 -9.053 3.258 474 HG3 GLU 73 2HG GLU 73 3.182 -7.969 4.428 475 H ALA 74 H ALA 74 0.139 -8.607 2.346 476 HA ALA 74 HA ALA 74 0.805 -10.464 0.196 477 HB1 ALA 74 1HB ALA 74 -0.834 -8.034 -0.290 478 HB2 ALA 74 2HB ALA 74 -1.003 -9.664 -0.943 479 HB3 ALA 74 3HB ALA 74 -1.520 -9.317 0.707 480 H LYS 75 H LYS 75 2.097 -9.986 -1.513 481 HA LYS 75 HA LYS 75 4.091 -8.037 -1.240 482 HB2 LYS 75 1HB LYS 75 3.950 -10.224 -2.705 483 HB3 LYS 75 2HB LYS 75 3.373 -9.110 -3.938 484 HG2 LYS 75 1HG LYS 75 5.648 -9.209 -4.337 485 HG3 LYS 75 2HG LYS 75 5.479 -7.739 -3.376 486 HD2 LYS 75 1HD LYS 75 5.901 -9.363 -1.367 487 HD3 LYS 75 2HD LYS 75 6.615 -10.393 -2.609 488 HE2 LYS 75 1HE LYS 75 8.293 -8.860 -3.091 489 HE3 LYS 75 2HE LYS 75 7.396 -7.511 -2.394 490 HZ1 LYS 75 1HZ LYS 75 7.711 -9.089 -0.262 491 HZ2 LYS 75 2HZ LYS 75 8.773 -7.839 -0.674 492 HZ3 LYS 75 3HZ LYS 75 9.136 -9.434 -1.107 493 H ILE 76 H ILE 76 4.493 -6.113 -2.381 494 HA ILE 76 HA ILE 76 2.195 -4.938 -3.786 495 HB ILE 76 HB ILE 76 3.857 -3.439 -1.760 496 HG12 ILE 76 1HG1 ILE 76 0.967 -4.245 -1.459 497 HG13 ILE 76 2HG1 ILE 76 2.284 -5.242 -0.851 498 HG21 ILE 76 1HG2 ILE 76 1.381 -2.193 -2.321 499 HG22 ILE 76 2HG2 ILE 76 3.005 -1.614 -2.686 500 HG23 ILE 76 3HG2 ILE 76 2.134 -2.597 -3.863 501 HD11 ILE 76 1HD1 ILE 76 3.035 -3.297 0.503 502 HD12 ILE 76 2HD1 ILE 76 1.577 -2.446 -0.010 503 HD13 ILE 76 3HD1 ILE 76 1.447 -3.924 0.943 504 H GLU 77 H GLU 77 2.812 -4.390 -5.761 505 HA GLU 77 HA GLU 77 5.613 -3.607 -6.205 506 HB2 GLU 77 1HB GLU 77 4.991 -5.554 -7.488 507 HB3 GLU 77 2HB GLU 77 3.557 -4.744 -8.103 508 HG2 GLU 77 1HG GLU 77 5.107 -4.690 -9.855 509 HG3 GLU 77 2HG GLU 77 5.125 -3.068 -9.166 510 H CYS 78 H CYS 78 5.762 -1.452 -6.083 511 HA CYS 78 HA CYS 78 3.665 0.192 -7.308 512 HB2 CYS 78 1HB CYS 78 4.718 2.069 -6.072 513 HB3 CYS 78 2HB CYS 78 4.184 0.771 -5.012 514 HG CYS 78 HG CYS 78 6.535 0.027 -4.114 515 H SER 79 H SER 79 3.993 0.856 -9.315 516 HA SER 79 HA SER 79 6.708 1.636 -10.124 517 HB2 SER 79 1HB SER 79 6.233 -0.626 -11.020 518 HB3 SER 79 2HB SER 79 4.805 0.013 -11.833 519 HG SER 79 HG SER 79 6.742 -0.123 -13.153 520 H ASP 80 H ASP 80 6.815 3.533 -11.159 521 HA ASP 80 HA ASP 80 4.457 5.130 -11.417 522 HB2 ASP 80 1HB ASP 80 6.881 5.875 -10.852 523 HB3 ASP 80 2HB ASP 80 7.120 5.869 -12.597 524 H ASN 81 H ASN 81 3.681 6.131 -13.351 525 HA ASN 81 HA ASN 81 3.742 4.315 -15.616 526 HB2 ASN 81 1HB ASN 81 2.115 6.810 -15.083 527 HB3 ASN 81 2HB ASN 81 1.942 5.795 -16.512 528 HD21 ASN 81 1HD2 ASN 81 2.043 5.471 -12.979 529 HD22 ASN 81 2HD2 ASN 81 0.745 4.335 -12.878 530 H GLY 82 H GLY 82 4.526 7.701 -14.909 531 HA2 GLY 82 1HA GLY 82 6.576 8.572 -15.949 532 HA3 GLY 82 2HA GLY 82 6.083 7.748 -17.420 533 H ASP 83 H ASP 83 3.232 8.662 -16.702 534 HA ASP 83 HA ASP 83 3.457 11.220 -18.092 535 HB2 ASP 83 1HB ASP 83 1.875 9.303 -18.787 536 HB3 ASP 83 2HB ASP 83 0.879 9.817 -17.427 537 H GLY 84 H GLY 84 2.933 9.989 -14.962 538 HA2 GLY 84 1HA GLY 84 3.152 11.866 -13.275 539 HA3 GLY 84 2HA GLY 84 1.756 12.553 -14.093 540 H THR 85 H THR 85 1.989 9.119 -13.683 541 HA THR 85 HA THR 85 0.142 9.226 -11.401 542 HB THR 85 HB THR 85 -1.067 7.245 -12.504 543 HG1 THR 85 1HG THR 85 -0.211 8.402 -14.930 544 HG21 THR 85 1HG2 THR 85 -2.655 8.671 -13.503 545 HG22 THR 85 2HG2 THR 85 -1.431 9.862 -13.942 546 HG23 THR 85 3HG2 THR 85 -1.889 9.649 -12.253 547 H CYS 86 H CYS 86 -0.308 6.701 -10.830 548 HA CYS 86 HA CYS 86 2.209 5.221 -10.922 549 HB2 CYS 86 1HB CYS 86 0.789 5.984 -8.363 550 HB3 CYS 86 2HB CYS 86 2.091 4.805 -8.465 551 HG CYS 86 HG CYS 86 3.086 7.591 -9.881 552 H SER 87 H SER 87 1.886 3.114 -11.242 553 HA SER 87 HA SER 87 -0.827 2.054 -10.793 554 HB2 SER 87 1HB SER 87 1.190 1.556 -12.957 555 HB3 SER 87 2HB SER 87 0.007 0.310 -12.561 556 HG SER 87 HG SER 87 -0.681 2.993 -13.166 557 H VAL 88 H VAL 88 -0.519 1.290 -8.717 558 HA VAL 88 HA VAL 88 1.692 -0.531 -8.185 559 HB VAL 88 HB VAL 88 -0.510 0.436 -6.356 560 HG11 VAL 88 1HG1 VAL 88 2.056 -0.819 -5.462 561 HG12 VAL 88 2HG1 VAL 88 0.532 -0.646 -4.588 562 HG13 VAL 88 3HG1 VAL 88 0.671 -1.821 -5.897 563 HG21 VAL 88 1HG2 VAL 88 1.895 1.445 -5.460 564 HG22 VAL 88 2HG2 VAL 88 2.013 1.602 -7.212 565 HG23 VAL 88 3HG2 VAL 88 0.662 2.338 -6.351 566 H SER 89 H SER 89 1.520 -2.695 -7.966 567 HA SER 89 HA SER 89 -1.167 -3.878 -8.218 568 HB2 SER 89 1HB SER 89 -0.016 -5.760 -9.466 569 HB3 SER 89 2HB SER 89 -0.088 -4.221 -10.324 570 HG SER 89 HG SER 89 2.005 -4.173 -10.329 571 H TYR 90 H TYR 90 -1.713 -5.270 -6.672 572 HA TYR 90 HA TYR 90 0.430 -6.373 -4.975 573 HB2 TYR 90 1HB TYR 90 -1.037 -6.244 -3.081 574 HB3 TYR 90 2HB TYR 90 -1.045 -4.670 -3.869 575 HD1 TYR 90 2HD TYR 90 -2.988 -7.772 -3.361 576 HD2 TYR 90 1HD TYR 90 -3.047 -3.758 -4.771 577 HE1 TYR 90 2HE TYR 90 -5.442 -7.864 -3.505 578 HE2 TYR 90 1HE TYR 90 -5.500 -3.839 -4.918 579 HH TYR 90 HH TYR 90 -7.353 -5.032 -4.133 580 H LEU 91 H LEU 91 0.022 -8.466 -4.025 581 HA LEU 91 HA LEU 91 -1.964 -10.081 -5.472 582 HB2 LEU 91 1HB LEU 91 0.968 -10.453 -5.273 583 HB3 LEU 91 2HB LEU 91 -0.034 -11.898 -5.151 584 HG LEU 91 HG LEU 91 -0.478 -10.047 -7.443 585 HD11 LEU 91 1HD1 LEU 91 1.711 -12.112 -7.433 586 HD12 LEU 91 2HD1 LEU 91 1.994 -10.384 -7.231 587 HD13 LEU 91 3HD1 LEU 91 1.286 -10.992 -8.727 588 HD21 LEU 91 1HD2 LEU 91 -1.576 -12.419 -6.665 589 HD22 LEU 91 2HD2 LEU 91 -0.350 -12.947 -7.818 590 HD23 LEU 91 3HD2 LEU 91 -1.586 -11.789 -8.312 591 HA PRO 92 HA PRO 92 -2.789 -10.906 -1.110 592 HB2 PRO 92 1HB PRO 92 -5.249 -11.963 -1.555 593 HB3 PRO 92 2HB PRO 92 -4.948 -10.222 -1.498 594 HG2 PRO 92 1HG PRO 92 -5.228 -12.018 -3.876 595 HG3 PRO 92 2HG PRO 92 -5.901 -10.399 -3.612 596 HD2 PRO 92 1HD PRO 92 -3.686 -10.830 -5.109 597 HD3 PRO 92 2HD PRO 92 -3.921 -9.351 -4.155 598 H THR 93 H THR 93 -3.200 -12.854 0.107 599 HA THR 93 HA THR 93 -2.353 -15.271 -1.344 600 HB THR 93 HB THR 93 -1.663 -16.127 0.912 601 HG1 THR 93 1HG THR 93 -2.011 -13.417 1.722 602 HG21 THR 93 1HG2 THR 93 -0.334 -14.427 -0.816 603 HG22 THR 93 2HG2 THR 93 0.398 -15.363 0.487 604 HG23 THR 93 3HG2 THR 93 -0.081 -13.688 0.764 605 H LYS 94 H LYS 94 -4.578 -14.079 1.140 606 HA LYS 94 HA LYS 94 -6.285 -16.420 0.613 607 HB2 LYS 94 1HB LYS 94 -5.850 -15.086 3.292 608 HB3 LYS 94 2HB LYS 94 -6.962 -16.411 2.976 609 HG2 LYS 94 1HG LYS 94 -5.212 -17.934 2.608 610 HG3 LYS 94 2HG LYS 94 -4.014 -16.646 2.465 611 HD2 LYS 94 1HD LYS 94 -3.594 -17.348 4.604 612 HD3 LYS 94 2HD LYS 94 -4.807 -16.106 4.923 613 HE2 LYS 94 1HE LYS 94 -6.462 -18.137 4.615 614 HE3 LYS 94 2HE LYS 94 -5.033 -19.073 5.054 615 HZ1 LYS 94 1HZ LYS 94 -5.060 -17.093 6.898 616 HZ2 LYS 94 2HZ LYS 94 -5.652 -18.659 7.140 617 HZ3 LYS 94 3HZ LYS 94 -6.709 -17.415 6.696 618 HA PRO 95 HA PRO 95 -9.485 -13.526 -0.232 619 HB2 PRO 95 1HB PRO 95 -11.657 -15.044 0.360 620 HB3 PRO 95 2HB PRO 95 -10.671 -15.299 -1.085 621 HG2 PRO 95 1HG PRO 95 -10.618 -16.762 1.526 622 HG3 PRO 95 2HG PRO 95 -10.532 -17.411 -0.122 623 HD2 PRO 95 1HD PRO 95 -8.339 -17.091 1.434 624 HD3 PRO 95 2HD PRO 95 -8.289 -16.922 -0.332 625 H GLY 96 H GLY 96 -10.108 -11.832 0.945 626 HA2 GLY 96 1HA GLY 96 -11.744 -11.999 3.228 627 HA3 GLY 96 2HA GLY 96 -10.083 -11.759 3.748 628 H GLU 97 H GLU 97 -9.443 -9.727 3.985 629 HA GLU 97 HA GLU 97 -10.494 -7.653 2.228 630 HB2 GLU 97 1HB GLU 97 -10.851 -7.679 5.220 631 HB3 GLU 97 2HB GLU 97 -10.893 -6.190 4.287 632 HG2 GLU 97 1HG GLU 97 -12.839 -6.815 3.154 633 HG3 GLU 97 2HG GLU 97 -12.671 -8.507 3.622 634 H TYR 98 H TYR 98 -8.903 -6.355 1.603 635 HA TYR 98 HA TYR 98 -6.469 -6.237 3.260 636 HB2 TYR 98 1HB TYR 98 -6.763 -5.976 0.261 637 HB3 TYR 98 2HB TYR 98 -5.257 -5.751 1.144 638 HD1 TYR 98 1HD TYR 98 -7.803 -8.220 0.134 639 HD2 TYR 98 2HD TYR 98 -3.985 -7.623 1.913 640 HE1 TYR 98 1HE TYR 98 -7.354 -10.632 -0.035 641 HE2 TYR 98 2HE TYR 98 -3.525 -10.034 1.748 642 HH TYR 98 HH TYR 98 -5.184 -12.219 1.630 643 H PHE 99 H PHE 99 -6.323 -4.374 4.308 644 HA PHE 99 HA PHE 99 -7.591 -1.980 3.253 645 HB2 PHE 99 1HB PHE 99 -6.270 -2.649 5.878 646 HB3 PHE 99 2HB PHE 99 -6.742 -1.003 5.467 647 HD1 PHE 99 1HD PHE 99 -9.185 -0.578 4.895 648 HD2 PHE 99 2HD PHE 99 -7.812 -4.140 6.776 649 HE1 PHE 99 1HE PHE 99 -11.468 -1.033 5.691 650 HE2 PHE 99 2HE PHE 99 -10.093 -4.602 7.574 651 HZ PHE 99 HZ PHE 99 -11.925 -3.048 7.031 652 H VAL 100 H VAL 100 -6.482 -0.870 1.780 653 HA VAL 100 HA VAL 100 -3.586 -0.855 1.772 654 HB VAL 100 HB VAL 100 -5.494 0.629 -0.040 655 HG11 VAL 100 1HG1 VAL 100 -3.513 0.624 -1.575 656 HG12 VAL 100 2HG1 VAL 100 -3.331 1.628 -0.135 657 HG13 VAL 100 3HG1 VAL 100 -2.543 0.051 -0.218 658 HG21 VAL 100 1HG2 VAL 100 -4.568 -2.169 0.010 659 HG22 VAL 100 2HG2 VAL 100 -6.036 -1.470 -0.675 660 HG23 VAL 100 3HG2 VAL 100 -4.514 -1.367 -1.560 661 H ASN 101 H ASN 101 -2.667 0.397 3.284 662 HA ASN 101 HA ASN 101 -3.842 2.883 4.135 663 HB2 ASN 101 1HB ASN 101 -1.193 1.581 4.798 664 HB3 ASN 101 2HB ASN 101 -1.785 3.062 5.545 665 HD21 ASN 101 1HD2 ASN 101 -2.549 -0.341 5.035 666 HD22 ASN 101 2HD2 ASN 101 -3.444 -0.545 6.498 667 H ILE 102 H ILE 102 -3.787 4.537 2.746 668 HA ILE 102 HA ILE 102 -1.294 5.050 1.269 669 HB ILE 102 HB ILE 102 -4.030 6.191 0.698 670 HG12 ILE 102 1HG1 ILE 102 -2.588 3.928 -0.701 671 HG13 ILE 102 2HG1 ILE 102 -3.950 3.728 0.396 672 HG21 ILE 102 1HG2 ILE 102 -1.887 7.401 -0.037 673 HG22 ILE 102 2HG2 ILE 102 -1.698 6.073 -1.180 674 HG23 ILE 102 3HG2 ILE 102 -3.130 7.100 -1.252 675 HD11 ILE 102 1HD1 ILE 102 -5.079 3.689 -1.556 676 HD12 ILE 102 2HD1 ILE 102 -5.052 5.437 -1.321 677 HD13 ILE 102 3HD1 ILE 102 -3.882 4.674 -2.398 678 H LEU 103 H LEU 103 -0.035 6.485 2.251 679 HA LEU 103 HA LEU 103 -1.271 8.932 3.311 680 HB2 LEU 103 1HB LEU 103 0.791 8.757 4.971 681 HB3 LEU 103 2HB LEU 103 -0.781 8.047 5.334 682 HG LEU 103 HG LEU 103 0.320 5.927 4.187 683 HD11 LEU 103 1HD1 LEU 103 2.677 7.474 5.254 684 HD12 LEU 103 2HD1 LEU 103 2.401 6.990 3.581 685 HD13 LEU 103 3HD1 LEU 103 2.697 5.766 4.815 686 HD21 LEU 103 1HD2 LEU 103 -0.284 6.718 6.760 687 HD22 LEU 103 2HD2 LEU 103 1.394 6.186 6.874 688 HD23 LEU 103 3HD2 LEU 103 0.162 5.090 6.247 689 H PHE 104 H PHE 104 -0.341 10.766 2.641 690 HA PHE 104 HA PHE 104 2.126 10.543 1.067 691 HB2 PHE 104 1HB PHE 104 -0.097 11.566 0.169 692 HB3 PHE 104 2HB PHE 104 0.371 12.978 1.112 693 HD1 PHE 104 1HD PHE 104 2.059 10.586 -1.209 694 HD2 PHE 104 2HD PHE 104 1.371 14.637 -0.099 695 HE1 PHE 104 1HE PHE 104 3.502 11.334 -3.056 696 HE2 PHE 104 2HE PHE 104 2.812 15.391 -1.945 697 HZ PHE 104 HZ PHE 104 3.880 13.739 -3.426 698 H GLU 105 H GLU 105 3.930 11.046 2.109 699 HA GLU 105 HA GLU 105 5.437 12.098 3.449 700 HB2 GLU 105 1HB GLU 105 3.432 14.327 3.115 701 HB3 GLU 105 2HB GLU 105 4.939 14.529 3.998 702 HG2 GLU 105 1HG GLU 105 5.944 13.545 1.751 703 HG3 GLU 105 2HG GLU 105 4.463 14.236 1.091 704 H GLU 106 H GLU 106 3.673 10.369 4.709 705 HA GLU 106 HA GLU 106 3.155 9.712 6.832 706 HB2 GLU 106 1HB GLU 106 4.076 12.397 7.838 707 HB3 GLU 106 2HB GLU 106 4.024 10.869 8.707 708 HG2 GLU 106 1HG GLU 106 5.723 10.113 6.868 709 HG3 GLU 106 2HG GLU 106 5.996 11.846 6.705 710 H VAL 107 H VAL 107 1.359 11.243 5.064 711 HA VAL 107 HA VAL 107 -0.554 12.125 7.121 712 HB VAL 107 HB VAL 107 -0.414 13.393 4.394 713 HG11 VAL 107 1HG1 VAL 107 -2.489 13.455 5.918 714 HG12 VAL 107 2HG1 VAL 107 -1.547 14.576 6.904 715 HG13 VAL 107 3HG1 VAL 107 -1.912 14.970 5.224 716 HG21 VAL 107 1HG2 VAL 107 0.887 15.173 5.234 717 HG22 VAL 107 2HG2 VAL 107 0.731 14.606 6.897 718 HG23 VAL 107 3HG2 VAL 107 1.712 13.700 5.745 719 H HIS 108 H HIS 108 -2.187 10.736 7.136 720 HA HIS 108 HA HIS 108 -2.771 8.924 5.061 721 HB2 HIS 108 1HB HIS 108 -4.049 9.715 7.624 722 HB3 HIS 108 2HB HIS 108 -5.065 8.884 6.449 723 HD1 HIS 108 1HD HIS 108 -4.894 6.401 6.396 724 HD2 HIS 108 2HD HIS 108 -1.677 8.156 8.355 725 HE1 HIS 108 1HE HIS 108 -3.575 4.492 7.366 726 HE2 HIS 108 2HE HIS 108 -1.681 5.582 8.619 727 H ILE 109 H ILE 109 -3.753 9.261 3.188 728 HA ILE 109 HA ILE 109 -4.968 11.745 2.530 729 HB ILE 109 HB ILE 109 -5.457 10.772 0.372 730 HG12 ILE 109 1HG1 ILE 109 -4.367 8.111 1.170 731 HG13 ILE 109 2HG1 ILE 109 -6.035 8.484 1.592 732 HG21 ILE 109 1HG2 ILE 109 -3.306 11.260 0.044 733 HG22 ILE 109 2HG2 ILE 109 -2.840 10.619 1.619 734 HG23 ILE 109 3HG2 ILE 109 -2.996 9.535 0.238 735 HD11 ILE 109 1HD1 ILE 109 -5.086 8.890 -1.205 736 HD12 ILE 109 2HD1 ILE 109 -5.504 7.275 -0.633 737 HD13 ILE 109 3HD1 ILE 109 -6.711 8.560 -0.605 738 HA PRO 110 HA PRO 110 -9.162 11.099 3.665 739 HB2 PRO 110 1HB PRO 110 -10.432 12.530 1.740 740 HB3 PRO 110 2HB PRO 110 -9.529 13.285 3.059 741 HG2 PRO 110 1HG PRO 110 -8.685 12.778 0.231 742 HG3 PRO 110 2HG PRO 110 -8.437 14.222 1.232 743 HD2 PRO 110 1HD PRO 110 -6.495 12.378 0.828 744 HD3 PRO 110 2HD PRO 110 -6.638 13.300 2.339 745 H GLY 111 H GLY 111 -9.095 8.789 3.154 746 HA2 GLY 111 1HA GLY 111 -11.168 7.771 1.796 747 HA3 GLY 111 2HA GLY 111 -9.986 7.979 0.511 748 H SER 112 H SER 112 -7.953 7.440 2.835 749 HA SER 112 HA SER 112 -8.032 4.523 2.489 750 HB2 SER 112 1HB SER 112 -5.949 5.020 1.711 751 HB3 SER 112 2HB SER 112 -5.853 6.524 2.628 752 HG SER 112 HG SER 112 -5.214 5.410 4.404 753 HA PRO 113 HA PRO 113 -6.470 2.950 3.409 754 HB2 PRO 113 1HB PRO 113 -7.416 0.653 4.503 755 HB3 PRO 113 2HB PRO 113 -5.988 1.493 5.119 756 HG2 PRO 113 1HG PRO 113 -8.803 1.549 6.135 757 HG3 PRO 113 2HG PRO 113 -7.287 1.435 7.047 758 HD2 PRO 113 1HD PRO 113 -8.656 3.756 6.781 759 HD3 PRO 113 2HD PRO 113 -6.886 3.701 6.907 760 H PHE 114 H PHE 114 -7.298 1.620 1.744 761 HA PHE 114 HA PHE 114 -10.150 2.047 1.226 762 HB2 PHE 114 1HB PHE 114 -7.803 1.445 -0.562 763 HB3 PHE 114 2HB PHE 114 -9.462 1.280 -1.129 764 HD1 PHE 114 1HD PHE 114 -7.133 3.722 0.428 765 HD2 PHE 114 2HD PHE 114 -10.578 3.115 -1.995 766 HE1 PHE 114 1HE PHE 114 -7.186 6.126 -0.093 767 HE2 PHE 114 2HE PHE 114 -10.636 5.517 -2.522 768 HZ PHE 114 HZ PHE 114 -8.938 7.027 -1.571 769 H LYS 115 H LYS 115 -11.329 0.428 2.047 770 HA LYS 115 HA LYS 115 -10.455 -2.219 2.408 771 HB2 LYS 115 1HB LYS 115 -12.371 -1.144 3.600 772 HB3 LYS 115 2HB LYS 115 -13.308 -1.264 2.117 773 HG2 LYS 115 1HG LYS 115 -12.961 -3.740 2.201 774 HG3 LYS 115 2HG LYS 115 -12.246 -3.519 3.800 775 HD2 LYS 115 1HD LYS 115 -15.012 -2.578 3.057 776 HD3 LYS 115 2HD LYS 115 -14.677 -4.143 3.801 777 HE2 LYS 115 1HE LYS 115 -13.556 -2.912 5.672 778 HE3 LYS 115 2HE LYS 115 -14.142 -1.412 4.956 779 HZ1 LYS 115 1HZ LYS 115 -15.954 -1.738 6.180 780 HZ2 LYS 115 2HZ LYS 115 -15.543 -3.338 6.542 781 HZ3 LYS 115 3HZ LYS 115 -16.363 -2.980 5.106 782 H ALA 116 H ALA 116 -10.089 -3.749 0.955 783 HA ALA 116 HA ALA 116 -11.571 -3.656 -1.592 784 HB1 ALA 116 1HB ALA 116 -8.759 -3.710 -1.101 785 HB2 ALA 116 2HB ALA 116 -9.231 -5.188 -1.940 786 HB3 ALA 116 3HB ALA 116 -9.617 -3.615 -2.639 787 H ASP 117 H ASP 117 -13.060 -5.202 -1.637 788 HA ASP 117 HA ASP 117 -12.855 -7.570 -0.020 789 HB2 ASP 117 1HB ASP 117 -14.891 -6.471 -1.928 790 HB3 ASP 117 2HB ASP 117 -14.997 -8.150 -1.407 791 H ILE 118 H ILE 118 -11.642 -9.245 -0.579 792 HA ILE 118 HA ILE 118 -11.119 -9.765 -3.413 793 HB ILE 118 HB ILE 118 -9.792 -10.868 -0.935 794 HG12 ILE 118 1HG1 ILE 118 -9.284 -8.500 -1.460 795 HG13 ILE 118 2HG1 ILE 118 -7.875 -9.541 -1.630 796 HG21 ILE 118 1HG2 ILE 118 -9.191 -12.579 -2.234 797 HG22 ILE 118 2HG2 ILE 118 -9.783 -11.784 -3.692 798 HG23 ILE 118 3HG2 ILE 118 -8.165 -11.427 -3.089 799 HD11 ILE 118 1HD1 ILE 118 -8.984 -7.767 -3.517 800 HD12 ILE 118 2HD1 ILE 118 -7.591 -8.834 -3.700 801 HD13 ILE 118 3HD1 ILE 118 -9.202 -9.402 -4.138 802 H GLU 119 H GLU 119 -12.136 -11.341 -4.454 803 HA GLU 119 HA GLU 119 -13.552 -13.377 -2.874 804 HB2 GLU 119 1HB GLU 119 -14.042 -12.352 -5.673 805 HB3 GLU 119 2HB GLU 119 -14.900 -13.712 -4.964 806 HG2 GLU 119 1HG GLU 119 -15.427 -11.984 -3.065 807 HG3 GLU 119 2HG GLU 119 -15.094 -10.812 -4.339 808 H MET 120 H MET 120 -13.786 -15.528 -4.011 809 HA MET 120 HA MET 120 -11.156 -16.486 -4.675 810 HB2 MET 120 1HB MET 120 -13.836 -17.857 -4.449 811 HB3 MET 120 2HB MET 120 -12.352 -18.704 -4.866 812 HG2 MET 120 1HG MET 120 -11.373 -17.940 -2.723 813 HG3 MET 120 2HG MET 120 -12.934 -17.237 -2.307 814 HE1 MET 120 1HE MET 120 -12.559 -20.376 0.011 815 HE2 MET 120 2HE MET 120 -11.068 -19.955 -0.831 816 HE3 MET 120 3HE MET 120 -12.111 -18.683 -0.194 817 HA PRO 121 HA PRO 121 -11.519 -16.118 -9.059 818 HB2 PRO 121 1HB PRO 121 -9.512 -17.812 -9.747 819 HB3 PRO 121 2HB PRO 121 -9.223 -16.194 -9.094 820 HG2 PRO 121 1HG PRO 121 -9.159 -18.840 -7.696 821 HG3 PRO 121 2HG PRO 121 -8.041 -17.471 -7.551 822 HD2 PRO 121 1HD PRO 121 -9.988 -17.961 -5.734 823 HD3 PRO 121 2HD PRO 121 -9.439 -16.319 -6.126 824 H PHE 122 H PHE 122 -12.176 -17.310 -10.890 825 HA PHE 122 HA PHE 122 -13.770 -19.626 -10.268 826 HB2 PHE 122 1HB PHE 122 -13.275 -18.359 -12.968 827 HB3 PHE 122 2HB PHE 122 -14.586 -19.453 -12.538 828 HD1 PHE 122 1HD PHE 122 -16.173 -18.647 -10.653 829 HD2 PHE 122 2HD PHE 122 -13.609 -16.079 -12.877 830 HE1 PHE 122 1HE PHE 122 -17.581 -16.723 -10.046 831 HE2 PHE 122 2HE PHE 122 -15.012 -14.150 -12.273 832 HZ PHE 122 HZ PHE 122 -17.000 -14.470 -10.856 833 H ASP 123 H ASP 123 -13.145 -21.670 -10.419 834 HA ASP 123 HA ASP 123 -10.706 -22.282 -11.944 835 HB2 ASP 123 1HB ASP 123 -10.377 -22.881 -9.675 836 HB3 ASP 123 2HB ASP 123 -11.979 -23.604 -9.553 837 HA PRO 124 HA PRO 124 -14.061 -24.170 -14.465 838 HB2 PRO 124 1HB PRO 124 -12.826 -23.706 -16.838 839 HB3 PRO 124 2HB PRO 124 -13.836 -22.502 -16.029 840 HG2 PRO 124 1HG PRO 124 -10.853 -22.757 -16.064 841 HG3 PRO 124 2HG PRO 124 -11.854 -21.302 -16.226 842 HD2 PRO 124 1HD PRO 124 -10.640 -21.984 -13.904 843 HD3 PRO 124 2HD PRO 124 -12.196 -21.132 -13.953 844 H SER 125 H SER 125 -13.563 -25.683 -16.532 845 HA SER 125 HA SER 125 -11.178 -27.240 -16.387 846 HB2 SER 125 1HB SER 125 -12.648 -27.941 -14.350 847 HB3 SER 125 2HB SER 125 -13.623 -28.776 -15.559 848 HG SER 125 HG SER 125 -11.035 -29.305 -14.675 849 H SER 126 H SER 126 -11.439 -29.299 -17.749 850 HA SER 126 HA SER 126 -11.816 -30.164 -19.820 851 HB2 SER 126 1HB SER 126 -14.069 -30.504 -18.673 852 HB3 SER 126 2HB SER 126 -14.625 -29.087 -19.563 853 HG SER 126 HG SER 126 -13.607 -30.444 -21.421 854 H GLY 127 H GLY 127 -10.604 -27.706 -19.898 855 HA2 GLY 127 1HA GLY 127 -11.985 -25.963 -21.742 856 HA3 GLY 127 2HA GLY 127 -10.345 -25.763 -21.142 857 HA PRO 128 HA PRO 128 -10.645 -27.764 -25.521 858 HB2 PRO 128 1HB PRO 128 -10.762 -25.569 -27.115 859 HB3 PRO 128 2HB PRO 128 -12.202 -26.419 -26.542 860 HG2 PRO 128 1HG PRO 128 -10.931 -23.922 -25.488 861 HG3 PRO 128 2HG PRO 128 -12.648 -24.280 -25.745 862 HD2 PRO 128 1HD PRO 128 -11.481 -24.418 -23.306 863 HD3 PRO 128 2HD PRO 128 -12.821 -25.480 -23.784 864 H SER 129 H SER 129 -9.191 -24.602 -24.743 865 HA SER 129 HA SER 129 -7.007 -24.603 -26.374 866 HB2 SER 129 1HB SER 129 -7.117 -23.717 -23.481 867 HB3 SER 129 2HB SER 129 -5.846 -23.273 -24.620 868 HG SER 129 HG SER 129 -8.326 -22.223 -24.313 869 H SER 130 H SER 130 -4.658 -24.916 -25.648 870 HA SER 130 HA SER 130 -4.277 -27.691 -25.129 871 HB2 SER 130 1HB SER 130 -1.842 -27.105 -25.213 872 HB3 SER 130 2HB SER 130 -2.753 -26.554 -26.619 873 HG SER 130 HG SER 130 -1.584 -25.083 -24.558 874 H GLY 131 H GLY 131 -4.107 -24.781 -23.201 875 HA2 GLY 131 1HA GLY 131 -4.481 -24.945 -20.821 876 HA3 GLY 131 2HA GLY 131 -3.606 -26.469 -20.836 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -32.331 -3.462 4.096 2 HA2 GLY 1 1HA GLY 1 -29.955 -3.190 3.741 3 HA3 GLY 1 2HA GLY 1 -29.977 -4.672 2.797 4 H SER 2 H SER 2 -30.978 -1.291 2.828 5 HA SER 2 HA SER 2 -31.747 -1.298 0.059 6 HB2 SER 2 1HB SER 2 -32.825 0.244 1.617 7 HB3 SER 2 2HB SER 2 -31.272 0.998 1.977 8 HG SER 2 HG SER 2 -31.175 1.645 -0.219 9 H SER 3 H SER 3 -29.949 -2.000 -1.093 10 HA SER 3 HA SER 3 -27.756 -0.042 -1.249 11 HB2 SER 3 1HB SER 3 -27.603 -3.040 -1.100 12 HB3 SER 3 2HB SER 3 -26.332 -2.119 -1.903 13 HG SER 3 HG SER 3 -27.090 -1.189 0.588 14 H GLY 4 H GLY 4 -26.589 -0.094 -3.335 15 HA2 GLY 4 1HA GLY 4 -27.820 -1.378 -5.589 16 HA3 GLY 4 2HA GLY 4 -28.191 0.338 -5.507 17 H SER 5 H SER 5 -26.517 -1.412 -7.353 18 HA SER 5 HA SER 5 -23.881 -0.209 -7.028 19 HB2 SER 5 1HB SER 5 -24.994 -2.388 -8.770 20 HB3 SER 5 2HB SER 5 -23.451 -1.633 -9.168 21 HG SER 5 HG SER 5 -23.542 -3.594 -7.700 22 H SER 6 H SER 6 -25.799 1.686 -7.533 23 HA SER 6 HA SER 6 -26.534 2.428 -10.014 24 HB2 SER 6 1HB SER 6 -25.411 4.080 -7.765 25 HB3 SER 6 2HB SER 6 -25.911 4.838 -9.277 26 HG SER 6 HG SER 6 -27.752 4.859 -8.189 27 H GLY 7 H GLY 7 -23.368 3.387 -8.661 28 HA2 GLY 7 1HA GLY 7 -21.300 3.477 -9.702 29 HA3 GLY 7 2HA GLY 7 -22.036 2.797 -11.146 30 H ASP 8 H ASP 8 -20.131 4.974 -10.961 31 HA ASP 8 HA ASP 8 -21.653 6.946 -12.479 32 HB2 ASP 8 1HB ASP 8 -19.881 7.698 -10.143 33 HB3 ASP 8 2HB ASP 8 -20.642 8.831 -11.257 34 H VAL 9 H VAL 9 -20.645 6.998 -14.370 35 HA VAL 9 HA VAL 9 -17.770 6.516 -14.511 36 HB VAL 9 HB VAL 9 -19.330 5.330 -16.060 37 HG11 VAL 9 1HG1 VAL 9 -19.623 8.020 -17.389 38 HG12 VAL 9 2HG1 VAL 9 -20.359 6.495 -17.886 39 HG13 VAL 9 3HG1 VAL 9 -20.861 7.270 -16.382 40 HG21 VAL 9 1HG2 VAL 9 -17.959 6.264 -18.181 41 HG22 VAL 9 2HG2 VAL 9 -16.981 6.922 -16.869 42 HG23 VAL 9 3HG2 VAL 9 -17.267 5.184 -16.970 43 H THR 10 H THR 10 -16.313 8.071 -14.822 44 HA THR 10 HA THR 10 -17.165 10.638 -15.956 45 HB THR 10 HB THR 10 -15.435 10.464 -13.485 46 HG1 THR 10 1HG THR 10 -17.489 9.942 -12.825 47 HG21 THR 10 1HG2 THR 10 -14.954 12.437 -14.747 48 HG22 THR 10 2HG2 THR 10 -15.970 12.916 -13.387 49 HG23 THR 10 3HG2 THR 10 -16.669 12.762 -14.998 50 H TYR 11 H TYR 11 -15.629 11.686 -17.165 51 HA TYR 11 HA TYR 11 -12.881 10.762 -17.164 52 HB2 TYR 11 1HB TYR 11 -14.070 9.199 -18.699 53 HB3 TYR 11 2HB TYR 11 -14.541 10.578 -19.686 54 HD1 TYR 11 1HD TYR 11 -11.417 9.159 -18.189 55 HD2 TYR 11 2HD TYR 11 -13.268 10.975 -21.562 56 HE1 TYR 11 1HE TYR 11 -9.306 8.975 -19.439 57 HE2 TYR 11 2HE TYR 11 -11.164 10.795 -22.822 58 HH TYR 11 HH TYR 11 -8.751 8.850 -22.104 59 H ASP 12 H ASP 12 -11.492 12.346 -17.711 60 HA ASP 12 HA ASP 12 -12.115 14.486 -19.468 61 HB2 ASP 12 1HB ASP 12 -13.422 15.059 -17.339 62 HB3 ASP 12 2HB ASP 12 -11.852 15.337 -16.589 63 H GLY 13 H GLY 13 -10.227 14.884 -20.400 64 HA2 GLY 13 1HA GLY 13 -7.798 14.791 -18.717 65 HA3 GLY 13 2HA GLY 13 -7.837 14.154 -20.354 66 H HIS 14 H HIS 14 -7.088 16.806 -18.458 67 HA HIS 14 HA HIS 14 -7.676 18.979 -20.119 68 HB2 HIS 14 1HB HIS 14 -5.515 19.930 -18.947 69 HB3 HIS 14 2HB HIS 14 -6.989 19.653 -18.024 70 HD1 HIS 14 1HD HIS 14 -6.617 18.447 -15.907 71 HD2 HIS 14 2HD HIS 14 -3.737 17.492 -18.745 72 HE1 HIS 14 1HE HIS 14 -5.028 16.878 -14.751 73 HE2 HIS 14 2HE HIS 14 -3.248 16.381 -16.461 74 HA PRO 15 HA PRO 15 -4.963 18.483 -23.547 75 HB2 PRO 15 1HB PRO 15 -4.777 21.074 -24.334 76 HB3 PRO 15 2HB PRO 15 -6.226 20.095 -24.589 77 HG2 PRO 15 1HG PRO 15 -5.654 22.110 -22.450 78 HG3 PRO 15 2HG PRO 15 -7.139 21.865 -23.388 79 HD2 PRO 15 1HD PRO 15 -6.843 20.941 -20.860 80 HD3 PRO 15 2HD PRO 15 -7.825 20.099 -22.075 81 H VAL 16 H VAL 16 -2.816 18.781 -24.175 82 HA VAL 16 HA VAL 16 -0.922 19.137 -22.156 83 HB VAL 16 HB VAL 16 0.770 19.131 -23.910 84 HG11 VAL 16 1HG1 VAL 16 0.114 16.965 -23.455 85 HG12 VAL 16 2HG1 VAL 16 -1.513 17.211 -24.093 86 HG13 VAL 16 3HG1 VAL 16 -0.144 17.062 -25.197 87 HG21 VAL 16 1HG2 VAL 16 -1.574 19.546 -25.755 88 HG22 VAL 16 2HG2 VAL 16 -0.175 20.597 -25.535 89 HG23 VAL 16 3HG2 VAL 16 0.018 19.021 -26.302 90 HA PRO 17 HA PRO 17 -0.483 23.504 -21.808 91 HB2 PRO 17 1HB PRO 17 2.038 23.602 -20.805 92 HB3 PRO 17 2HB PRO 17 0.644 23.082 -19.851 93 HG2 PRO 17 1HG PRO 17 2.711 21.424 -21.244 94 HG3 PRO 17 2HG PRO 17 2.007 21.211 -19.631 95 HD2 PRO 17 1HD PRO 17 1.200 19.767 -21.774 96 HD3 PRO 17 2HD PRO 17 0.099 20.217 -20.456 97 H GLY 18 H GLY 18 1.317 25.222 -22.286 98 HA2 GLY 18 1HA GLY 18 1.684 25.390 -25.026 99 HA3 GLY 18 2HA GLY 18 2.604 26.311 -23.845 100 H SER 19 H SER 19 4.337 24.875 -22.698 101 HA SER 19 HA SER 19 5.602 23.080 -24.646 102 HB2 SER 19 1HB SER 19 7.077 25.278 -23.177 103 HB3 SER 19 2HB SER 19 7.764 24.145 -24.340 104 HG SER 19 HG SER 19 6.118 25.088 -25.828 105 HA PRO 20 HA PRO 20 6.046 20.549 -21.050 106 HB2 PRO 20 1HB PRO 20 7.737 18.713 -22.119 107 HB3 PRO 20 2HB PRO 20 6.012 18.768 -22.501 108 HG2 PRO 20 1HG PRO 20 8.334 19.829 -24.066 109 HG3 PRO 20 2HG PRO 20 6.907 18.946 -24.640 110 HD2 PRO 20 1HD PRO 20 7.137 21.635 -24.849 111 HD3 PRO 20 2HD PRO 20 5.575 20.826 -24.610 112 H TYR 21 H TYR 21 8.333 22.606 -22.277 113 HA TYR 21 HA TYR 21 10.601 21.653 -20.757 114 HB2 TYR 21 1HB TYR 21 10.525 23.041 -23.014 115 HB3 TYR 21 2HB TYR 21 10.505 24.408 -21.906 116 HD1 TYR 21 2HD TYR 21 12.463 21.511 -23.065 117 HD2 TYR 21 1HD TYR 21 12.455 25.020 -20.659 118 HE1 TYR 21 2HE TYR 21 14.907 21.352 -22.835 119 HE2 TYR 21 1HE TYR 21 14.899 24.872 -20.423 120 HH TYR 21 HH TYR 21 16.634 22.432 -20.755 121 H THR 22 H THR 22 8.320 22.109 -19.169 122 HA THR 22 HA THR 22 9.145 24.463 -17.598 123 HB THR 22 HB THR 22 6.848 24.496 -16.670 124 HG1 THR 22 1HG THR 22 6.608 22.265 -18.363 125 HG21 THR 22 1HG2 THR 22 7.684 25.595 -18.958 126 HG22 THR 22 2HG2 THR 22 6.032 25.776 -18.368 127 HG23 THR 22 3HG2 THR 22 6.402 24.571 -19.601 128 H VAL 23 H VAL 23 10.100 24.007 -15.735 129 HA VAL 23 HA VAL 23 10.081 21.333 -14.667 130 HB VAL 23 HB VAL 23 11.546 22.285 -12.892 131 HG11 VAL 23 1HG1 VAL 23 12.300 21.463 -15.209 132 HG12 VAL 23 2HG1 VAL 23 12.564 23.170 -15.569 133 HG13 VAL 23 3HG1 VAL 23 13.439 22.401 -14.244 134 HG21 VAL 23 1HG2 VAL 23 12.043 24.799 -14.241 135 HG22 VAL 23 2HG2 VAL 23 10.389 24.694 -13.638 136 HG23 VAL 23 3HG2 VAL 23 11.746 24.476 -12.533 137 H GLU 24 H GLU 24 7.823 21.131 -14.169 138 HA GLU 24 HA GLU 24 6.736 22.824 -12.076 139 HB2 GLU 24 1HB GLU 24 5.648 20.674 -13.846 140 HB3 GLU 24 2HB GLU 24 4.794 21.070 -12.362 141 HG2 GLU 24 1HG GLU 24 4.621 23.400 -13.089 142 HG3 GLU 24 2HG GLU 24 5.456 22.987 -14.585 143 H ALA 25 H ALA 25 9.020 21.278 -11.360 144 HA ALA 25 HA ALA 25 7.887 19.251 -9.555 145 HB1 ALA 25 1HB ALA 25 10.418 18.695 -9.292 146 HB2 ALA 25 2HB ALA 25 9.549 18.176 -10.737 147 HB3 ALA 25 3HB ALA 25 10.581 19.605 -10.794 148 H SER 26 H SER 26 7.748 22.131 -9.076 149 HA SER 26 HA SER 26 9.239 22.203 -6.540 150 HB2 SER 26 1HB SER 26 9.016 24.331 -8.649 151 HB3 SER 26 2HB SER 26 9.264 24.775 -6.960 152 HG SER 26 HG SER 26 10.908 22.903 -8.301 153 H LEU 27 H LEU 27 6.881 21.222 -6.255 154 HA LEU 27 HA LEU 27 5.236 23.437 -5.244 155 HB2 LEU 27 1HB LEU 27 4.291 21.040 -6.802 156 HB3 LEU 27 2HB LEU 27 3.217 22.087 -5.877 157 HG LEU 27 HG LEU 27 4.958 23.227 -8.032 158 HD11 LEU 27 1HD1 LEU 27 3.443 21.176 -8.717 159 HD12 LEU 27 2HD1 LEU 27 3.572 22.611 -9.733 160 HD13 LEU 27 3HD1 LEU 27 2.178 22.404 -8.674 161 HD21 LEU 27 1HD2 LEU 27 3.148 24.867 -8.150 162 HD22 LEU 27 2HD2 LEU 27 3.815 24.760 -6.521 163 HD23 LEU 27 3HD2 LEU 27 2.271 23.993 -6.895 164 HA PRO 28 HA PRO 28 5.111 21.174 -1.481 165 HB2 PRO 28 1HB PRO 28 2.730 22.011 -0.480 166 HB3 PRO 28 2HB PRO 28 4.162 23.044 -0.541 167 HG2 PRO 28 1HG PRO 28 1.816 22.948 -2.398 168 HG3 PRO 28 2HG PRO 28 2.663 24.359 -1.738 169 HD2 PRO 28 1HD PRO 28 3.103 23.437 -4.246 170 HD3 PRO 28 2HD PRO 28 4.374 24.209 -3.275 171 HA PRO 29 HA PRO 29 2.836 17.457 -2.156 172 HB2 PRO 29 1HB PRO 29 2.837 16.470 0.373 173 HB3 PRO 29 2HB PRO 29 4.274 16.477 -0.656 174 HG2 PRO 29 1HG PRO 29 3.499 18.373 1.527 175 HG3 PRO 29 2HG PRO 29 5.083 17.657 1.177 176 HD2 PRO 29 1HD PRO 29 4.435 20.184 0.453 177 HD3 PRO 29 2HD PRO 29 5.537 19.171 -0.501 178 H ASP 30 H ASP 30 0.721 17.570 -2.594 179 HA ASP 30 HA ASP 30 -1.111 18.450 -0.462 180 HB2 ASP 30 1HB ASP 30 -1.380 18.568 -3.468 181 HB3 ASP 30 2HB ASP 30 -2.725 18.862 -2.369 182 HA PRO 31 HA PRO 31 -2.002 13.992 -0.712 183 HB2 PRO 31 1HB PRO 31 -2.994 13.842 1.811 184 HB3 PRO 31 2HB PRO 31 -1.263 13.783 1.454 185 HG2 PRO 31 1HG PRO 31 -2.928 16.092 2.383 186 HG3 PRO 31 2HG PRO 31 -1.314 15.589 2.918 187 HD2 PRO 31 1HD PRO 31 -1.703 17.621 1.170 188 HD3 PRO 31 2HD PRO 31 -0.272 16.571 1.112 189 H SER 32 H SER 32 -4.025 16.681 0.312 190 HA SER 32 HA SER 32 -6.496 15.325 0.325 191 HB2 SER 32 1HB SER 32 -5.740 18.225 0.008 192 HB3 SER 32 2HB SER 32 -7.422 17.698 -0.056 193 HG SER 32 HG SER 32 -5.756 17.967 2.092 194 H LYS 33 H LYS 33 -4.511 16.525 -2.232 195 HA LYS 33 HA LYS 33 -6.643 16.476 -4.198 196 HB2 LYS 33 1HB LYS 33 -3.676 16.815 -4.655 197 HB3 LYS 33 2HB LYS 33 -4.972 17.206 -5.779 198 HG2 LYS 33 1HG LYS 33 -4.985 18.546 -3.132 199 HG3 LYS 33 2HG LYS 33 -3.776 19.051 -4.315 200 HD2 LYS 33 1HD LYS 33 -5.467 20.455 -4.914 201 HD3 LYS 33 2HD LYS 33 -5.903 19.064 -5.909 202 HE2 LYS 33 1HE LYS 33 -7.875 19.858 -4.796 203 HE3 LYS 33 2HE LYS 33 -7.416 18.311 -4.087 204 HZ1 LYS 33 1HZ LYS 33 -6.414 20.764 -2.838 205 HZ2 LYS 33 2HZ LYS 33 -6.809 19.280 -2.131 206 HZ3 LYS 33 3HZ LYS 33 -8.036 20.349 -2.593 207 H VAL 34 H VAL 34 -4.260 14.349 -2.930 208 HA VAL 34 HA VAL 34 -3.954 12.625 -5.155 209 HB VAL 34 HB VAL 34 -3.625 12.050 -2.207 210 HG11 VAL 34 1HG1 VAL 34 -3.967 9.987 -3.439 211 HG12 VAL 34 2HG1 VAL 34 -2.730 10.456 -4.608 212 HG13 VAL 34 3HG1 VAL 34 -2.283 10.122 -2.934 213 HG21 VAL 34 1HG2 VAL 34 -2.052 13.685 -2.733 214 HG22 VAL 34 2HG2 VAL 34 -1.157 12.179 -2.934 215 HG23 VAL 34 3HG2 VAL 34 -1.772 13.034 -4.348 216 H LYS 35 H LYS 35 -5.575 11.573 -6.090 217 HA LYS 35 HA LYS 35 -7.752 10.527 -4.414 218 HB2 LYS 35 1HB LYS 35 -7.591 11.308 -7.311 219 HB3 LYS 35 2HB LYS 35 -8.866 10.242 -6.737 220 HG2 LYS 35 1HG LYS 35 -9.444 12.023 -5.055 221 HG3 LYS 35 2HG LYS 35 -8.334 13.085 -5.924 222 HD2 LYS 35 1HD LYS 35 -10.392 13.587 -6.879 223 HD3 LYS 35 2HD LYS 35 -9.705 12.422 -8.013 224 HE2 LYS 35 1HE LYS 35 -10.972 10.636 -6.778 225 HE3 LYS 35 2HE LYS 35 -11.784 11.924 -5.890 226 HZ1 LYS 35 1HZ LYS 35 -12.881 10.961 -7.996 227 HZ2 LYS 35 2HZ LYS 35 -11.783 11.936 -8.835 228 HZ3 LYS 35 3HZ LYS 35 -12.890 12.637 -7.766 229 H ALA 36 H ALA 36 -8.450 8.387 -4.631 230 HA ALA 36 HA ALA 36 -6.629 6.598 -6.102 231 HB1 ALA 36 1HB ALA 36 -7.547 6.440 -3.264 232 HB2 ALA 36 2HB ALA 36 -7.173 4.963 -4.152 233 HB3 ALA 36 3HB ALA 36 -5.935 6.201 -3.937 234 H HIS 37 H HIS 37 -7.848 5.914 -7.759 235 HA HIS 37 HA HIS 37 -10.418 4.644 -7.115 236 HB2 HIS 37 1HB HIS 37 -11.176 5.487 -9.432 237 HB3 HIS 37 2HB HIS 37 -11.171 6.635 -8.096 238 HD1 HIS 37 1HD HIS 37 -10.185 6.385 -11.499 239 HD2 HIS 37 2HD HIS 37 -8.552 8.161 -8.117 240 HE1 HIS 37 1HE HIS 37 -8.561 8.102 -12.359 241 HE2 HIS 37 2HE HIS 37 -7.523 9.104 -10.294 242 H GLY 38 H GLY 38 -10.764 2.703 -8.065 243 HA2 GLY 38 1HA GLY 38 -10.000 1.690 -10.445 244 HA3 GLY 38 2HA GLY 38 -8.539 1.514 -9.485 245 HA PRO 39 HA PRO 39 -11.444 -2.154 -8.908 246 HB2 PRO 39 1HB PRO 39 -9.796 -4.033 -9.970 247 HB3 PRO 39 2HB PRO 39 -10.968 -3.127 -10.935 248 HG2 PRO 39 1HG PRO 39 -8.027 -2.673 -10.611 249 HG3 PRO 39 2HG PRO 39 -9.014 -2.612 -12.084 250 HD2 PRO 39 1HD PRO 39 -8.242 -0.383 -10.754 251 HD3 PRO 39 2HD PRO 39 -9.781 -0.486 -11.633 252 H GLY 40 H GLY 40 -7.891 -2.021 -8.649 253 HA2 GLY 40 1HA GLY 40 -7.465 -3.969 -6.750 254 HA3 GLY 40 2HA GLY 40 -6.501 -2.506 -6.884 255 H LEU 41 H LEU 41 -8.979 -0.881 -6.322 256 HA LEU 41 HA LEU 41 -8.656 -0.835 -3.461 257 HB2 LEU 41 1HB LEU 41 -10.531 0.782 -5.177 258 HB3 LEU 41 2HB LEU 41 -10.054 1.129 -3.516 259 HG LEU 41 HG LEU 41 -8.192 1.181 -5.890 260 HD11 LEU 41 1HD1 LEU 41 -9.067 3.606 -4.393 261 HD12 LEU 41 2HD1 LEU 41 -10.104 2.947 -5.658 262 HD13 LEU 41 3HD1 LEU 41 -8.459 3.456 -6.042 263 HD21 LEU 41 1HD2 LEU 41 -6.505 1.637 -4.474 264 HD22 LEU 41 2HD2 LEU 41 -7.525 0.812 -3.295 265 HD23 LEU 41 3HD2 LEU 41 -7.529 2.574 -3.386 266 H GLU 42 H GLU 42 -11.361 -1.395 -5.703 267 HA GLU 42 HA GLU 42 -13.276 -1.965 -3.711 268 HB2 GLU 42 1HB GLU 42 -13.171 -2.836 -6.604 269 HB3 GLU 42 2HB GLU 42 -14.579 -2.983 -5.562 270 HG2 GLU 42 1HG GLU 42 -13.247 -0.364 -6.196 271 HG3 GLU 42 2HG GLU 42 -14.596 -1.027 -7.117 272 H GLY 43 H GLY 43 -10.998 -3.988 -5.484 273 HA2 GLY 43 1HA GLY 43 -10.437 -5.891 -3.710 274 HA3 GLY 43 2HA GLY 43 -12.035 -6.406 -4.230 275 H GLY 44 H GLY 44 -10.634 -8.339 -4.796 276 HA2 GLY 44 1HA GLY 44 -10.207 -8.303 -7.641 277 HA3 GLY 44 2HA GLY 44 -8.716 -8.472 -6.727 278 H LEU 45 H LEU 45 -8.193 -10.542 -7.243 279 HA LEU 45 HA LEU 45 -9.968 -12.616 -6.174 280 HB2 LEU 45 1HB LEU 45 -8.667 -12.650 -8.891 281 HB3 LEU 45 2HB LEU 45 -9.417 -14.052 -8.131 282 HG LEU 45 HG LEU 45 -10.945 -11.526 -8.709 283 HD11 LEU 45 1HD1 LEU 45 -9.782 -12.894 -10.698 284 HD12 LEU 45 2HD1 LEU 45 -11.363 -12.127 -10.845 285 HD13 LEU 45 3HD1 LEU 45 -11.250 -13.852 -10.500 286 HD21 LEU 45 1HD2 LEU 45 -12.768 -12.652 -8.027 287 HD22 LEU 45 2HD2 LEU 45 -11.598 -13.652 -7.165 288 HD23 LEU 45 3HD2 LEU 45 -12.222 -14.174 -8.731 289 H VAL 46 H VAL 46 -8.939 -14.359 -5.262 290 HA VAL 46 HA VAL 46 -6.335 -14.000 -4.285 291 HB VAL 46 HB VAL 46 -7.905 -16.575 -4.477 292 HG11 VAL 46 1HG1 VAL 46 -6.491 -17.262 -2.552 293 HG12 VAL 46 2HG1 VAL 46 -5.586 -17.044 -4.051 294 HG13 VAL 46 3HG1 VAL 46 -5.524 -15.807 -2.794 295 HG21 VAL 46 1HG2 VAL 46 -7.678 -14.883 -2.022 296 HG22 VAL 46 2HG2 VAL 46 -8.885 -14.503 -3.250 297 HG23 VAL 46 3HG2 VAL 46 -8.905 -16.075 -2.451 298 H GLY 47 H GLY 47 -4.361 -14.661 -4.955 299 HA2 GLY 47 1HA GLY 47 -2.759 -15.768 -6.215 300 HA3 GLY 47 2HA GLY 47 -4.046 -16.659 -7.012 301 H LYS 48 H LYS 48 -5.203 -13.755 -7.407 302 HA LYS 48 HA LYS 48 -3.751 -13.314 -9.927 303 HB2 LYS 48 1HB LYS 48 -6.597 -13.012 -9.111 304 HB3 LYS 48 2HB LYS 48 -5.971 -11.877 -10.301 305 HG2 LYS 48 1HG LYS 48 -5.103 -14.087 -11.445 306 HG3 LYS 48 2HG LYS 48 -6.424 -14.803 -10.519 307 HD2 LYS 48 1HD LYS 48 -7.991 -13.218 -11.529 308 HD3 LYS 48 2HD LYS 48 -6.669 -12.493 -12.447 309 HE2 LYS 48 1HE LYS 48 -7.872 -14.012 -13.872 310 HE3 LYS 48 2HE LYS 48 -6.280 -14.686 -13.530 311 HZ1 LYS 48 1HZ LYS 48 -7.334 -16.515 -12.894 312 HZ2 LYS 48 2HZ LYS 48 -8.849 -15.765 -12.957 313 HZ3 LYS 48 3HZ LYS 48 -7.913 -15.662 -11.552 314 HA PRO 49 HA PRO 49 -2.240 -9.450 -8.462 315 HB2 PRO 49 1HB PRO 49 -1.889 -8.180 -10.835 316 HB3 PRO 49 2HB PRO 49 -0.830 -9.480 -10.275 317 HG2 PRO 49 1HG PRO 49 -3.110 -9.596 -12.212 318 HG3 PRO 49 2HG PRO 49 -1.516 -10.366 -12.313 319 HD2 PRO 49 1HD PRO 49 -3.735 -11.709 -11.538 320 HD3 PRO 49 2HD PRO 49 -2.119 -12.090 -10.909 321 H ALA 50 H ALA 50 -2.810 -7.251 -8.213 322 HA ALA 50 HA ALA 50 -5.205 -6.248 -9.499 323 HB1 ALA 50 1HB ALA 50 -5.574 -5.823 -6.691 324 HB2 ALA 50 2HB ALA 50 -6.651 -6.598 -7.853 325 HB3 ALA 50 3HB ALA 50 -5.421 -7.549 -7.020 326 H GLU 51 H GLU 51 -5.015 -4.127 -9.847 327 HA GLU 51 HA GLU 51 -3.347 -2.525 -8.046 328 HB2 GLU 51 1HB GLU 51 -2.419 -1.361 -10.102 329 HB3 GLU 51 2HB GLU 51 -1.817 -2.983 -9.790 330 HG2 GLU 51 1HG GLU 51 -2.214 -3.157 -12.013 331 HG3 GLU 51 2HG GLU 51 -3.794 -3.648 -11.404 332 H PHE 52 H PHE 52 -3.527 -0.103 -8.819 333 HA PHE 52 HA PHE 52 -6.183 0.527 -9.834 334 HB2 PHE 52 1HB PHE 52 -6.420 2.157 -7.821 335 HB3 PHE 52 2HB PHE 52 -6.820 0.458 -7.593 336 HD1 PHE 52 1HD PHE 52 -4.865 -1.047 -6.731 337 HD2 PHE 52 2HD PHE 52 -5.006 3.188 -6.328 338 HE1 PHE 52 1HE PHE 52 -3.265 -1.174 -4.866 339 HE2 PHE 52 2HE PHE 52 -3.406 3.068 -4.464 340 HZ PHE 52 HZ PHE 52 -2.533 0.885 -3.730 341 H THR 53 H THR 53 -6.426 3.070 -9.718 342 HA THR 53 HA THR 53 -3.905 4.181 -10.761 343 HB THR 53 HB THR 53 -6.677 5.201 -11.387 344 HG1 THR 53 1HG THR 53 -5.167 3.127 -12.537 345 HG21 THR 53 1HG2 THR 53 -3.993 6.070 -11.993 346 HG22 THR 53 2HG2 THR 53 -5.530 6.871 -12.321 347 HG23 THR 53 3HG2 THR 53 -4.880 5.704 -13.472 348 H ILE 54 H ILE 54 -3.004 5.827 -9.709 349 HA ILE 54 HA ILE 54 -4.644 7.285 -7.740 350 HB ILE 54 HB ILE 54 -1.682 6.700 -7.651 351 HG12 ILE 54 1HG1 ILE 54 -3.885 5.793 -5.789 352 HG13 ILE 54 2HG1 ILE 54 -3.237 4.807 -7.096 353 HG21 ILE 54 1HG2 ILE 54 -1.421 8.258 -6.076 354 HG22 ILE 54 2HG2 ILE 54 -2.974 8.898 -6.611 355 HG23 ILE 54 3HG2 ILE 54 -2.903 7.784 -5.246 356 HD11 ILE 54 1HD1 ILE 54 -1.604 4.108 -5.786 357 HD12 ILE 54 2HD1 ILE 54 -1.082 5.768 -5.499 358 HD13 ILE 54 3HD1 ILE 54 -2.302 5.035 -4.457 359 H ASP 55 H ASP 55 -4.817 9.425 -7.954 360 HA ASP 55 HA ASP 55 -3.370 10.719 -10.129 361 HB2 ASP 55 1HB ASP 55 -5.559 11.365 -10.343 362 HB3 ASP 55 2HB ASP 55 -5.866 11.280 -8.610 363 H THR 56 H THR 56 -1.439 11.517 -9.622 364 HA THR 56 HA THR 56 -1.209 13.145 -7.182 365 HB THR 56 HB THR 56 1.004 12.324 -6.735 366 HG1 THR 56 1HG THR 56 1.656 10.422 -8.150 367 HG21 THR 56 1HG2 THR 56 -0.474 10.927 -5.627 368 HG22 THR 56 2HG2 THR 56 0.471 9.773 -6.569 369 HG23 THR 56 3HG2 THR 56 -1.129 10.263 -7.123 370 H LYS 57 H LYS 57 -1.643 13.768 -10.066 371 HA LYS 57 HA LYS 57 0.817 14.956 -10.980 372 HB2 LYS 57 1HB LYS 57 -0.536 15.803 -12.842 373 HB3 LYS 57 2HB LYS 57 -0.797 14.082 -12.593 374 HG2 LYS 57 1HG LYS 57 -2.848 14.731 -11.254 375 HG3 LYS 57 2HG LYS 57 -2.629 16.357 -11.903 376 HD2 LYS 57 1HD LYS 57 -4.097 15.435 -13.428 377 HD3 LYS 57 2HD LYS 57 -2.540 15.128 -14.201 378 HE2 LYS 57 1HE LYS 57 -3.456 13.050 -14.384 379 HE3 LYS 57 2HE LYS 57 -2.706 12.888 -12.797 380 HZ1 LYS 57 1HZ LYS 57 -5.524 13.051 -13.512 381 HZ2 LYS 57 2HZ LYS 57 -5.065 13.845 -12.091 382 HZ3 LYS 57 3HZ LYS 57 -4.770 12.189 -12.266 383 H GLY 58 H GLY 58 -2.283 16.147 -9.712 384 HA2 GLY 58 1HA GLY 58 -1.168 18.853 -9.560 385 HA3 GLY 58 2HA GLY 58 -2.857 18.417 -9.342 386 H ALA 59 H ALA 59 -0.570 16.456 -7.710 387 HA ALA 59 HA ALA 59 -1.509 17.489 -5.155 388 HB1 ALA 59 1HB ALA 59 -1.575 15.107 -5.408 389 HB2 ALA 59 2HB ALA 59 0.130 15.060 -5.860 390 HB3 ALA 59 3HB ALA 59 -0.335 15.505 -4.218 391 H GLY 60 H GLY 60 1.534 17.039 -6.915 392 HA2 GLY 60 1HA GLY 60 3.021 19.086 -6.507 393 HA3 GLY 60 2HA GLY 60 2.909 18.596 -4.824 394 H THR 61 H THR 61 4.860 17.861 -4.280 395 HA THR 61 HA THR 61 5.933 15.589 -5.765 396 HB THR 61 HB THR 61 7.661 17.971 -5.073 397 HG1 THR 61 1HG THR 61 6.461 17.118 -7.495 398 HG21 THR 61 1HG2 THR 61 8.492 15.437 -5.211 399 HG22 THR 61 2HG2 THR 61 9.471 16.785 -5.790 400 HG23 THR 61 3HG2 THR 61 8.527 15.826 -6.930 401 H GLY 62 H GLY 62 6.305 14.023 -4.346 402 HA2 GLY 62 1HA GLY 62 7.894 14.336 -2.037 403 HA3 GLY 62 2HA GLY 62 6.200 14.336 -1.568 404 H GLY 63 H GLY 63 6.781 12.393 -0.362 405 HA2 GLY 63 1HA GLY 63 6.979 10.016 -2.105 406 HA3 GLY 63 2HA GLY 63 7.598 10.088 -0.461 407 H LEU 64 H LEU 64 5.737 8.175 -1.617 408 HA LEU 64 HA LEU 64 3.422 8.689 0.132 409 HB2 LEU 64 1HB LEU 64 2.786 8.800 -2.220 410 HB3 LEU 64 2HB LEU 64 3.473 7.200 -2.490 411 HG LEU 64 HG LEU 64 1.743 6.398 -0.758 412 HD11 LEU 64 1HD1 LEU 64 1.237 9.075 -0.512 413 HD12 LEU 64 2HD1 LEU 64 0.153 7.777 -0.013 414 HD13 LEU 64 3HD1 LEU 64 -0.054 8.541 -1.589 415 HD21 LEU 64 1HD2 LEU 64 1.232 7.243 -3.576 416 HD22 LEU 64 2HD2 LEU 64 -0.075 6.545 -2.619 417 HD23 LEU 64 3HD2 LEU 64 1.402 5.622 -2.902 418 H GLY 65 H GLY 65 2.941 7.162 1.603 419 HA2 GLY 65 1HA GLY 65 4.595 4.724 1.578 420 HA3 GLY 65 2HA GLY 65 3.889 5.455 3.012 421 H LEU 66 H LEU 66 3.581 3.021 0.741 422 HA LEU 66 HA LEU 66 0.718 2.671 1.321 423 HB2 LEU 66 1HB LEU 66 1.658 2.798 -1.089 424 HB3 LEU 66 2HB LEU 66 2.213 1.154 -0.783 425 HG LEU 66 HG LEU 66 -0.303 0.755 -0.148 426 HD11 LEU 66 1HD1 LEU 66 -0.313 3.373 -1.528 427 HD12 LEU 66 2HD1 LEU 66 -1.407 2.728 -0.305 428 HD13 LEU 66 3HD1 LEU 66 -1.561 2.214 -1.985 429 HD21 LEU 66 1HD2 LEU 66 -0.376 -0.406 -2.061 430 HD22 LEU 66 2HD2 LEU 66 1.268 0.184 -2.307 431 HD23 LEU 66 3HD2 LEU 66 -0.092 1.024 -3.054 432 H THR 67 H THR 67 0.134 1.102 2.662 433 HA THR 67 HA THR 67 1.814 -1.281 2.925 434 HB THR 67 HB THR 67 1.538 -1.200 5.421 435 HG1 THR 67 1HG THR 67 0.059 0.282 5.919 436 HG21 THR 67 1HG2 THR 67 3.448 -0.010 3.805 437 HG22 THR 67 2HG2 THR 67 3.604 -0.348 5.529 438 HG23 THR 67 3HG2 THR 67 3.058 1.239 4.987 439 H VAL 68 H VAL 68 0.620 -3.064 2.837 440 HA VAL 68 HA VAL 68 -2.265 -2.872 2.933 441 HB VAL 68 HB VAL 68 -0.403 -5.170 2.346 442 HG11 VAL 68 1HG1 VAL 68 -2.867 -5.993 1.508 443 HG12 VAL 68 2HG1 VAL 68 -2.084 -6.499 3.006 444 HG13 VAL 68 3HG1 VAL 68 -3.250 -5.175 3.023 445 HG21 VAL 68 1HG2 VAL 68 -1.611 -4.959 0.100 446 HG22 VAL 68 2HG2 VAL 68 -2.160 -3.389 0.685 447 HG23 VAL 68 3HG2 VAL 68 -0.435 -3.711 0.512 448 H GLU 69 H GLU 69 -3.199 -2.826 4.877 449 HA GLU 69 HA GLU 69 -2.058 -4.347 7.087 450 HB2 GLU 69 1HB GLU 69 -4.053 -2.143 6.839 451 HB3 GLU 69 2HB GLU 69 -4.145 -3.193 8.245 452 HG2 GLU 69 1HG GLU 69 -1.585 -2.668 8.417 453 HG3 GLU 69 2HG GLU 69 -2.029 -1.258 7.458 454 H GLY 70 H GLY 70 -2.709 -6.305 5.674 455 HA2 GLY 70 1HA GLY 70 -5.518 -7.035 6.192 456 HA3 GLY 70 2HA GLY 70 -4.497 -7.760 4.959 457 HA PRO 71 HA PRO 71 -4.614 -10.418 8.835 458 HB2 PRO 71 1HB PRO 71 -5.688 -12.616 7.659 459 HB3 PRO 71 2HB PRO 71 -6.670 -11.334 8.377 460 HG2 PRO 71 1HG PRO 71 -5.968 -11.799 5.504 461 HG3 PRO 71 2HG PRO 71 -7.526 -11.338 6.215 462 HD2 PRO 71 1HD PRO 71 -5.876 -9.545 5.035 463 HD3 PRO 71 2HD PRO 71 -6.929 -9.120 6.400 464 H CYS 72 H CYS 72 -3.521 -10.736 5.555 465 HA CYS 72 HA CYS 72 -1.406 -12.572 6.468 466 HB2 CYS 72 1HB CYS 72 -3.132 -12.664 4.051 467 HB3 CYS 72 2HB CYS 72 -1.443 -13.108 3.839 468 HG CYS 72 HG CYS 72 -2.192 -14.763 6.422 469 H GLU 73 H GLU 73 0.414 -12.537 4.627 470 HA GLU 73 HA GLU 73 1.152 -9.705 4.356 471 HB2 GLU 73 1HB GLU 73 2.691 -11.038 5.702 472 HB3 GLU 73 2HB GLU 73 2.885 -12.181 4.380 473 HG2 GLU 73 1HG GLU 73 3.926 -10.460 3.018 474 HG3 GLU 73 2HG GLU 73 3.695 -9.283 4.310 475 H ALA 74 H ALA 74 0.184 -9.202 2.411 476 HA ALA 74 HA ALA 74 0.774 -10.846 0.074 477 HB1 ALA 74 1HB ALA 74 -0.705 -8.384 -0.408 478 HB2 ALA 74 2HB ALA 74 -1.124 -10.054 -0.794 479 HB3 ALA 74 3HB ALA 74 -1.451 -9.413 0.816 480 H LYS 75 H LYS 75 2.081 -10.245 -1.583 481 HA LYS 75 HA LYS 75 4.103 -8.330 -1.103 482 HB2 LYS 75 1HB LYS 75 4.036 -10.461 -2.655 483 HB3 LYS 75 2HB LYS 75 3.511 -9.302 -3.868 484 HG2 LYS 75 1HG LYS 75 5.526 -8.189 -3.875 485 HG3 LYS 75 2HG LYS 75 5.955 -8.739 -2.253 486 HD2 LYS 75 1HD LYS 75 5.691 -10.674 -4.531 487 HD3 LYS 75 2HD LYS 75 7.186 -9.773 -4.267 488 HE2 LYS 75 1HE LYS 75 7.552 -10.777 -2.181 489 HE3 LYS 75 2HE LYS 75 5.885 -11.338 -2.061 490 HZ1 LYS 75 1HZ LYS 75 7.392 -13.149 -2.583 491 HZ2 LYS 75 2HZ LYS 75 7.914 -12.351 -3.979 492 HZ3 LYS 75 3HZ LYS 75 6.315 -12.890 -3.862 493 H ILE 76 H ILE 76 4.581 -6.403 -2.274 494 HA ILE 76 HA ILE 76 2.318 -5.172 -3.680 495 HB ILE 76 HB ILE 76 3.922 -3.703 -1.590 496 HG12 ILE 76 1HG1 ILE 76 1.049 -4.565 -1.311 497 HG13 ILE 76 2HG1 ILE 76 2.376 -5.573 -0.744 498 HG21 ILE 76 1HG2 ILE 76 1.512 -2.411 -2.028 499 HG22 ILE 76 2HG2 ILE 76 3.093 -1.923 -2.639 500 HG23 ILE 76 3HG2 ILE 76 2.030 -2.916 -3.636 501 HD11 ILE 76 1HD1 ILE 76 1.699 -4.402 1.142 502 HD12 ILE 76 2HD1 ILE 76 3.111 -3.507 0.579 503 HD13 ILE 76 3HD1 ILE 76 1.491 -2.895 0.250 504 H GLU 77 H GLU 77 3.021 -4.639 -5.632 505 HA GLU 77 HA GLU 77 5.812 -3.753 -5.937 506 HB2 GLU 77 1HB GLU 77 3.980 -5.337 -7.671 507 HB3 GLU 77 2HB GLU 77 5.149 -4.287 -8.459 508 HG2 GLU 77 1HG GLU 77 6.841 -5.460 -6.850 509 HG3 GLU 77 2HG GLU 77 5.600 -6.709 -6.790 510 H CYS 78 H CYS 78 5.760 -1.582 -5.767 511 HA CYS 78 HA CYS 78 3.695 -0.092 -7.213 512 HB2 CYS 78 1HB CYS 78 4.416 1.842 -5.906 513 HB3 CYS 78 2HB CYS 78 4.057 0.484 -4.846 514 HG CYS 78 HG CYS 78 6.948 2.096 -5.350 515 H SER 79 H SER 79 4.116 0.829 -9.102 516 HA SER 79 HA SER 79 6.883 1.573 -9.746 517 HB2 SER 79 1HB SER 79 6.278 -0.653 -10.777 518 HB3 SER 79 2HB SER 79 5.052 0.194 -11.720 519 HG SER 79 HG SER 79 6.575 1.131 -12.897 520 H ASP 80 H ASP 80 7.113 3.434 -10.896 521 HA ASP 80 HA ASP 80 4.823 5.165 -11.051 522 HB2 ASP 80 1HB ASP 80 7.747 5.506 -11.687 523 HB3 ASP 80 2HB ASP 80 6.570 6.762 -12.059 524 H ASN 81 H ASN 81 4.019 6.189 -12.929 525 HA ASN 81 HA ASN 81 4.223 4.510 -15.314 526 HB2 ASN 81 1HB ASN 81 2.273 6.726 -14.642 527 HB3 ASN 81 2HB ASN 81 2.200 5.696 -16.069 528 HD21 ASN 81 1HD2 ASN 81 0.705 6.180 -13.321 529 HD22 ASN 81 2HD2 ASN 81 0.256 4.570 -12.882 530 H GLY 82 H GLY 82 4.513 7.905 -14.327 531 HA2 GLY 82 1HA GLY 82 6.418 9.129 -15.307 532 HA3 GLY 82 2HA GLY 82 5.985 8.395 -16.844 533 H ASP 83 H ASP 83 3.076 8.807 -16.154 534 HA ASP 83 HA ASP 83 2.944 11.554 -17.139 535 HB2 ASP 83 1HB ASP 83 0.713 11.053 -17.849 536 HB3 ASP 83 2HB ASP 83 1.725 9.685 -18.303 537 H GLY 84 H GLY 84 3.515 10.864 -14.307 538 HA2 GLY 84 1HA GLY 84 3.045 11.972 -12.327 539 HA3 GLY 84 2HA GLY 84 1.690 12.756 -13.127 540 H THR 85 H THR 85 1.918 9.317 -13.291 541 HA THR 85 HA THR 85 -0.134 9.073 -11.190 542 HB THR 85 HB THR 85 -1.119 7.203 -12.585 543 HG1 THR 85 1HG THR 85 0.650 8.361 -14.486 544 HG21 THR 85 1HG2 THR 85 -2.260 9.321 -12.433 545 HG22 THR 85 2HG2 THR 85 -2.333 8.760 -14.103 546 HG23 THR 85 3HG2 THR 85 -1.196 10.028 -13.647 547 H CYS 86 H CYS 86 -0.344 6.863 -10.313 548 HA CYS 86 HA CYS 86 2.175 5.349 -10.470 549 HB2 CYS 86 1HB CYS 86 0.599 6.071 -7.995 550 HB3 CYS 86 2HB CYS 86 1.873 4.858 -8.017 551 HG CYS 86 HG CYS 86 3.188 6.921 -6.937 552 H SER 87 H SER 87 1.990 3.185 -10.650 553 HA SER 87 HA SER 87 -0.719 2.041 -10.439 554 HB2 SER 87 1HB SER 87 0.042 2.188 -12.781 555 HB3 SER 87 2HB SER 87 1.475 1.246 -12.371 556 HG SER 87 HG SER 87 0.274 -0.420 -12.781 557 H VAL 88 H VAL 88 -0.538 1.202 -8.394 558 HA VAL 88 HA VAL 88 1.708 -0.586 -7.814 559 HB VAL 88 HB VAL 88 -0.480 0.311 -5.937 560 HG11 VAL 88 1HG1 VAL 88 1.056 -1.795 -5.563 561 HG12 VAL 88 2HG1 VAL 88 2.227 -0.571 -5.068 562 HG13 VAL 88 3HG1 VAL 88 0.676 -0.696 -4.237 563 HG21 VAL 88 1HG2 VAL 88 1.370 1.810 -5.033 564 HG22 VAL 88 2HG2 VAL 88 2.199 1.521 -6.563 565 HG23 VAL 88 3HG2 VAL 88 0.617 2.299 -6.551 566 H SER 89 H SER 89 1.501 -2.710 -8.012 567 HA SER 89 HA SER 89 -1.213 -3.859 -8.033 568 HB2 SER 89 1HB SER 89 -0.430 -5.546 -9.565 569 HB3 SER 89 2HB SER 89 0.049 -3.974 -10.203 570 HG SER 89 HG SER 89 2.079 -4.540 -8.859 571 H TYR 90 H TYR 90 -1.684 -5.455 -6.641 572 HA TYR 90 HA TYR 90 0.527 -6.598 -5.064 573 HB2 TYR 90 1HB TYR 90 -0.873 -6.583 -3.101 574 HB3 TYR 90 2HB TYR 90 -0.855 -4.960 -3.782 575 HD1 TYR 90 1HD TYR 90 -2.844 -4.084 -4.952 576 HD2 TYR 90 2HD TYR 90 -2.894 -7.867 -3.006 577 HE1 TYR 90 1HE TYR 90 -5.303 -4.077 -5.015 578 HE2 TYR 90 2HE TYR 90 -5.352 -7.871 -3.065 579 HH TYR 90 HH TYR 90 -7.173 -5.072 -4.004 580 H LEU 91 H LEU 91 0.102 -8.727 -4.154 581 HA LEU 91 HA LEU 91 -1.906 -10.264 -5.658 582 HB2 LEU 91 1HB LEU 91 1.016 -10.688 -5.426 583 HB3 LEU 91 2HB LEU 91 -0.008 -12.120 -5.359 584 HG LEU 91 HG LEU 91 -0.247 -10.151 -7.611 585 HD11 LEU 91 1HD1 LEU 91 1.796 -12.314 -7.240 586 HD12 LEU 91 2HD1 LEU 91 2.027 -10.649 -7.770 587 HD13 LEU 91 3HD1 LEU 91 1.257 -11.817 -8.844 588 HD21 LEU 91 1HD2 LEU 91 -0.941 -12.276 -8.782 589 HD22 LEU 91 2HD2 LEU 91 -2.033 -11.701 -7.521 590 HD23 LEU 91 3HD2 LEU 91 -0.942 -13.049 -7.197 591 HA PRO 92 HA PRO 92 -2.811 -11.199 -1.335 592 HB2 PRO 92 1HB PRO 92 -5.283 -12.200 -1.848 593 HB3 PRO 92 2HB PRO 92 -4.952 -10.467 -1.734 594 HG2 PRO 92 1HG PRO 92 -5.227 -12.188 -4.168 595 HG3 PRO 92 2HG PRO 92 -5.876 -10.565 -3.866 596 HD2 PRO 92 1HD PRO 92 -3.646 -10.991 -5.342 597 HD3 PRO 92 2HD PRO 92 -3.870 -9.537 -4.349 598 H THR 93 H THR 93 -3.357 -13.189 -0.195 599 HA THR 93 HA THR 93 -2.573 -15.587 -1.721 600 HB THR 93 HB THR 93 -1.743 -16.513 0.430 601 HG1 THR 93 1HG THR 93 -1.594 -15.148 2.213 602 HG21 THR 93 1HG2 THR 93 -0.279 -15.272 -1.205 603 HG22 THR 93 2HG2 THR 93 0.313 -15.306 0.456 604 HG23 THR 93 3HG2 THR 93 -0.460 -13.852 -0.174 605 H LYS 94 H LYS 94 -4.646 -14.348 0.861 606 HA LYS 94 HA LYS 94 -6.435 -16.643 0.413 607 HB2 LYS 94 1HB LYS 94 -7.023 -16.549 2.830 608 HB3 LYS 94 2HB LYS 94 -5.354 -17.020 2.534 609 HG2 LYS 94 1HG LYS 94 -4.505 -15.082 3.399 610 HG3 LYS 94 2HG LYS 94 -5.954 -14.148 3.021 611 HD2 LYS 94 1HD LYS 94 -5.846 -14.412 5.396 612 HD3 LYS 94 2HD LYS 94 -7.152 -15.437 4.797 613 HE2 LYS 94 1HE LYS 94 -4.414 -16.582 5.114 614 HE3 LYS 94 2HE LYS 94 -5.426 -16.356 6.540 615 HZ1 LYS 94 1HZ LYS 94 -6.017 -18.013 4.154 616 HZ2 LYS 94 2HZ LYS 94 -7.174 -17.641 5.330 617 HZ3 LYS 94 3HZ LYS 94 -5.802 -18.537 5.748 618 HA PRO 95 HA PRO 95 -9.580 -13.649 -0.280 619 HB2 PRO 95 1HB PRO 95 -11.768 -15.119 0.370 620 HB3 PRO 95 2HB PRO 95 -10.843 -15.377 -1.114 621 HG2 PRO 95 1HG PRO 95 -10.732 -16.881 1.472 622 HG3 PRO 95 2HG PRO 95 -10.724 -17.506 -0.188 623 HD2 PRO 95 1HD PRO 95 -8.467 -17.268 1.290 624 HD3 PRO 95 2HD PRO 95 -8.479 -17.072 -0.475 625 H GLY 96 H GLY 96 -10.037 -11.951 0.967 626 HA2 GLY 96 1HA GLY 96 -11.588 -12.154 3.335 627 HA3 GLY 96 2HA GLY 96 -9.901 -11.878 3.740 628 H GLU 97 H GLU 97 -9.292 -9.832 3.933 629 HA GLU 97 HA GLU 97 -10.379 -7.784 2.200 630 HB2 GLU 97 1HB GLU 97 -11.295 -6.393 3.901 631 HB3 GLU 97 2HB GLU 97 -11.995 -7.990 4.122 632 HG2 GLU 97 1HG GLU 97 -9.733 -6.805 5.714 633 HG3 GLU 97 2HG GLU 97 -11.400 -7.003 6.251 634 H TYR 98 H TYR 98 -8.827 -6.381 1.701 635 HA TYR 98 HA TYR 98 -6.524 -6.145 3.525 636 HB2 TYR 98 1HB TYR 98 -6.495 -5.981 0.505 637 HB3 TYR 98 2HB TYR 98 -5.097 -5.825 1.563 638 HD1 TYR 98 1HD TYR 98 -7.678 -8.184 0.352 639 HD2 TYR 98 2HD TYR 98 -3.965 -7.740 2.381 640 HE1 TYR 98 1HE TYR 98 -7.332 -10.617 0.239 641 HE2 TYR 98 2HE TYR 98 -3.608 -10.171 2.272 642 HH TYR 98 HH TYR 98 -5.400 -12.285 2.055 643 H PHE 99 H PHE 99 -6.307 -4.193 4.370 644 HA PHE 99 HA PHE 99 -7.664 -1.926 3.143 645 HB2 PHE 99 1HB PHE 99 -6.319 -2.300 5.820 646 HB3 PHE 99 2HB PHE 99 -6.967 -0.756 5.277 647 HD1 PHE 99 2HD PHE 99 -8.142 -4.302 5.344 648 HD2 PHE 99 1HD PHE 99 -8.988 -0.218 6.194 649 HE1 PHE 99 2HE PHE 99 -10.362 -4.941 6.191 650 HE2 PHE 99 1HE PHE 99 -11.209 -0.851 7.043 651 HZ PHE 99 HZ PHE 99 -11.899 -3.215 7.041 652 H VAL 100 H VAL 100 -6.587 -0.804 1.665 653 HA VAL 100 HA VAL 100 -3.693 -0.755 1.629 654 HB VAL 100 HB VAL 100 -5.636 0.673 -0.191 655 HG11 VAL 100 1HG1 VAL 100 -2.753 0.673 0.036 656 HG12 VAL 100 2HG1 VAL 100 -3.280 0.116 -1.553 657 HG13 VAL 100 3HG1 VAL 100 -3.806 1.688 -0.950 658 HG21 VAL 100 1HG2 VAL 100 -5.883 -1.191 -1.419 659 HG22 VAL 100 2HG2 VAL 100 -4.205 -1.684 -1.194 660 HG23 VAL 100 3HG2 VAL 100 -5.400 -2.027 0.057 661 H ASN 101 H ASN 101 -2.783 0.530 3.123 662 HA ASN 101 HA ASN 101 -3.969 3.042 3.896 663 HB2 ASN 101 1HB ASN 101 -1.340 1.750 4.651 664 HB3 ASN 101 2HB ASN 101 -1.954 3.244 5.353 665 HD21 ASN 101 1HD2 ASN 101 -2.584 -0.189 4.965 666 HD22 ASN 101 2HD2 ASN 101 -3.558 -0.359 6.382 667 H ILE 102 H ILE 102 -3.859 4.677 2.492 668 HA ILE 102 HA ILE 102 -1.335 5.119 1.043 669 HB ILE 102 HB ILE 102 -4.031 6.305 0.388 670 HG12 ILE 102 1HG1 ILE 102 -2.698 4.041 -1.088 671 HG13 ILE 102 2HG1 ILE 102 -3.832 3.750 0.226 672 HG21 ILE 102 1HG2 ILE 102 -2.654 7.672 -0.762 673 HG22 ILE 102 2HG2 ILE 102 -1.316 6.525 -0.732 674 HG23 ILE 102 3HG2 ILE 102 -2.618 6.330 -1.905 675 HD11 ILE 102 1HD1 ILE 102 -5.260 5.460 -1.299 676 HD12 ILE 102 2HD1 ILE 102 -4.314 4.621 -2.529 677 HD13 ILE 102 3HD1 ILE 102 -5.339 3.703 -1.426 678 H LEU 103 H LEU 103 -0.079 6.554 2.032 679 HA LEU 103 HA LEU 103 -1.304 9.045 2.999 680 HB2 LEU 103 1HB LEU 103 0.711 8.884 4.715 681 HB3 LEU 103 2HB LEU 103 -0.877 8.199 5.053 682 HG LEU 103 HG LEU 103 0.229 6.042 3.985 683 HD11 LEU 103 1HD1 LEU 103 2.571 7.613 5.046 684 HD12 LEU 103 2HD1 LEU 103 2.336 7.034 3.397 685 HD13 LEU 103 3HD1 LEU 103 2.594 5.882 4.707 686 HD21 LEU 103 1HD2 LEU 103 0.969 6.820 6.790 687 HD22 LEU 103 2HD2 LEU 103 0.553 5.225 6.163 688 HD23 LEU 103 3HD2 LEU 103 -0.693 6.464 6.320 689 H PHE 104 H PHE 104 -0.349 10.838 2.272 690 HA PHE 104 HA PHE 104 2.135 10.546 0.747 691 HB2 PHE 104 1HB PHE 104 -0.054 11.639 -0.156 692 HB3 PHE 104 2HB PHE 104 0.461 13.037 0.782 693 HD1 PHE 104 1HD PHE 104 2.127 10.578 -1.483 694 HD2 PHE 104 2HD PHE 104 1.457 14.660 -0.481 695 HE1 PHE 104 1HE PHE 104 3.596 11.269 -3.332 696 HE2 PHE 104 2HE PHE 104 2.924 15.358 -2.328 697 HZ PHE 104 HZ PHE 104 3.995 13.662 -3.758 698 H GLU 105 H GLU 105 3.959 11.020 1.765 699 HA GLU 105 HA GLU 105 5.474 11.969 3.173 700 HB2 GLU 105 1HB GLU 105 3.663 14.339 2.703 701 HB3 GLU 105 2HB GLU 105 5.192 14.444 3.563 702 HG2 GLU 105 1HG GLU 105 5.150 13.246 0.839 703 HG3 GLU 105 2HG GLU 105 5.035 14.997 1.011 704 H GLU 106 H GLU 106 3.594 10.429 4.460 705 HA GLU 106 HA GLU 106 2.968 9.923 6.596 706 HB2 GLU 106 1HB GLU 106 3.968 12.630 7.466 707 HB3 GLU 106 2HB GLU 106 3.794 11.175 8.437 708 HG2 GLU 106 1HG GLU 106 5.607 10.117 7.221 709 HG3 GLU 106 2HG GLU 106 5.760 11.536 6.187 710 H VAL 107 H VAL 107 1.279 11.337 4.678 711 HA VAL 107 HA VAL 107 -0.655 12.471 6.586 712 HB VAL 107 HB VAL 107 -0.331 13.483 3.764 713 HG11 VAL 107 1HG1 VAL 107 -1.503 15.412 5.389 714 HG12 VAL 107 2HG1 VAL 107 -2.314 14.397 4.195 715 HG13 VAL 107 3HG1 VAL 107 -2.251 13.894 5.884 716 HG21 VAL 107 1HG2 VAL 107 1.660 13.885 5.332 717 HG22 VAL 107 2HG2 VAL 107 0.959 15.282 4.514 718 HG23 VAL 107 3HG2 VAL 107 0.578 14.969 6.207 719 H HIS 108 H HIS 108 -2.257 11.039 6.698 720 HA HIS 108 HA HIS 108 -2.872 9.138 4.713 721 HB2 HIS 108 1HB HIS 108 -4.120 10.050 7.251 722 HB3 HIS 108 2HB HIS 108 -5.150 9.171 6.126 723 HD1 HIS 108 1HD HIS 108 -4.947 6.680 6.122 724 HD2 HIS 108 2HD HIS 108 -1.787 8.523 8.092 725 HE1 HIS 108 1HE HIS 108 -3.636 4.815 7.182 726 HE2 HIS 108 2HE HIS 108 -1.778 5.960 8.439 727 H ILE 109 H ILE 109 -3.754 9.493 2.795 728 HA ILE 109 HA ILE 109 -4.980 11.913 2.036 729 HB ILE 109 HB ILE 109 -5.529 10.835 -0.053 730 HG12 ILE 109 1HG1 ILE 109 -4.540 8.188 0.932 731 HG13 ILE 109 2HG1 ILE 109 -6.204 8.655 1.267 732 HG21 ILE 109 1HG2 ILE 109 -3.212 11.471 0.268 733 HG22 ILE 109 2HG2 ILE 109 -2.863 9.910 1.009 734 HG23 ILE 109 3HG2 ILE 109 -3.308 9.997 -0.696 735 HD11 ILE 109 1HD1 ILE 109 -6.691 8.825 -1.062 736 HD12 ILE 109 2HD1 ILE 109 -4.994 8.593 -1.483 737 HD13 ILE 109 3HD1 ILE 109 -5.915 7.270 -0.768 738 HA PRO 110 HA PRO 110 -9.165 11.456 3.290 739 HB2 PRO 110 1HB PRO 110 -10.429 12.829 1.319 740 HB3 PRO 110 2HB PRO 110 -9.477 13.619 2.581 741 HG2 PRO 110 1HG PRO 110 -8.706 12.948 -0.232 742 HG3 PRO 110 2HG PRO 110 -8.394 14.430 0.690 743 HD2 PRO 110 1HD PRO 110 -6.518 12.509 0.343 744 HD3 PRO 110 2HD PRO 110 -6.602 13.508 1.808 745 H GLY 111 H GLY 111 -9.166 9.120 2.887 746 HA2 GLY 111 1HA GLY 111 -11.288 8.069 1.667 747 HA3 GLY 111 2HA GLY 111 -10.188 8.237 0.306 748 H SER 112 H SER 112 -8.046 7.750 2.571 749 HA SER 112 HA SER 112 -8.102 4.834 2.235 750 HB2 SER 112 1HB SER 112 -5.802 4.843 2.184 751 HB3 SER 112 2HB SER 112 -6.109 6.463 1.558 752 HG SER 112 HG SER 112 -5.231 5.674 4.109 753 HA PRO 113 HA PRO 113 -6.522 3.274 3.139 754 HB2 PRO 113 1HB PRO 113 -7.439 0.960 4.223 755 HB3 PRO 113 2HB PRO 113 -6.017 1.812 4.838 756 HG2 PRO 113 1HG PRO 113 -8.829 1.831 5.866 757 HG3 PRO 113 2HG PRO 113 -7.307 1.728 6.771 758 HD2 PRO 113 1HD PRO 113 -8.702 4.036 6.524 759 HD3 PRO 113 2HD PRO 113 -6.931 3.998 6.643 760 H PHE 114 H PHE 114 -7.440 1.475 1.766 761 HA PHE 114 HA PHE 114 -10.270 2.028 1.161 762 HB2 PHE 114 1HB PHE 114 -7.927 1.481 -0.645 763 HB3 PHE 114 2HB PHE 114 -9.579 1.211 -1.192 764 HD1 PHE 114 1HD PHE 114 -7.356 3.812 0.256 765 HD2 PHE 114 2HD PHE 114 -10.819 2.964 -2.069 766 HE1 PHE 114 1HE PHE 114 -7.545 6.195 -0.327 767 HE2 PHE 114 2HE PHE 114 -11.013 5.345 -2.655 768 HZ PHE 114 HZ PHE 114 -9.375 6.964 -1.785 769 H LYS 115 H LYS 115 -11.249 0.385 2.256 770 HA LYS 115 HA LYS 115 -10.363 -2.217 2.582 771 HB2 LYS 115 1HB LYS 115 -12.268 -1.257 3.803 772 HB3 LYS 115 2HB LYS 115 -13.220 -1.261 2.325 773 HG2 LYS 115 1HG LYS 115 -12.768 -3.795 2.297 774 HG3 LYS 115 2HG LYS 115 -12.320 -3.577 3.991 775 HD2 LYS 115 1HD LYS 115 -14.925 -2.546 2.911 776 HD3 LYS 115 2HD LYS 115 -14.749 -4.215 3.458 777 HE2 LYS 115 1HE LYS 115 -13.834 -2.009 5.240 778 HE3 LYS 115 2HE LYS 115 -15.563 -2.320 5.094 779 HZ1 LYS 115 1HZ LYS 115 -15.257 -4.537 5.851 780 HZ2 LYS 115 2HZ LYS 115 -14.448 -3.526 6.939 781 HZ3 LYS 115 3HZ LYS 115 -13.571 -4.406 5.790 782 H ALA 116 H ALA 116 -9.903 -3.732 1.141 783 HA ALA 116 HA ALA 116 -11.417 -3.776 -1.389 784 HB1 ALA 116 1HB ALA 116 -9.454 -3.656 -2.416 785 HB2 ALA 116 2HB ALA 116 -8.590 -3.782 -0.883 786 HB3 ALA 116 3HB ALA 116 -9.060 -5.243 -1.751 787 H ASP 117 H ASP 117 -12.960 -5.281 -1.105 788 HA ASP 117 HA ASP 117 -12.541 -7.663 0.435 789 HB2 ASP 117 1HB ASP 117 -14.794 -6.570 -1.213 790 HB3 ASP 117 2HB ASP 117 -14.825 -8.255 -0.700 791 H ILE 118 H ILE 118 -11.366 -9.308 -0.275 792 HA ILE 118 HA ILE 118 -11.088 -9.782 -3.138 793 HB ILE 118 HB ILE 118 -9.698 -11.049 -0.776 794 HG12 ILE 118 1HG1 ILE 118 -9.060 -8.715 -1.206 795 HG13 ILE 118 2HG1 ILE 118 -7.737 -9.814 -1.580 796 HG21 ILE 118 1HG2 ILE 118 -9.954 -12.604 -2.682 797 HG22 ILE 118 2HG2 ILE 118 -9.128 -11.435 -3.711 798 HG23 ILE 118 3HG2 ILE 118 -8.273 -12.179 -2.361 799 HD11 ILE 118 1HD1 ILE 118 -8.941 -7.863 -3.236 800 HD12 ILE 118 2HD1 ILE 118 -7.601 -8.949 -3.605 801 HD13 ILE 118 3HD1 ILE 118 -9.259 -9.449 -3.940 802 H GLU 119 H GLU 119 -11.669 -11.672 -4.173 803 HA GLU 119 HA GLU 119 -13.277 -13.582 -2.612 804 HB2 GLU 119 1HB GLU 119 -13.923 -12.601 -5.398 805 HB3 GLU 119 2HB GLU 119 -14.857 -13.757 -4.457 806 HG2 GLU 119 1HG GLU 119 -14.362 -10.962 -3.493 807 HG3 GLU 119 2HG GLU 119 -15.704 -11.362 -4.565 808 H MET 120 H MET 120 -13.391 -15.729 -3.486 809 HA MET 120 HA MET 120 -10.892 -16.568 -4.627 810 HB2 MET 120 1HB MET 120 -13.355 -17.996 -3.670 811 HB3 MET 120 2HB MET 120 -12.100 -18.861 -4.546 812 HG2 MET 120 1HG MET 120 -10.552 -17.707 -2.742 813 HG3 MET 120 2HG MET 120 -12.056 -17.690 -1.824 814 HE1 MET 120 1HE MET 120 -9.102 -20.629 -1.503 815 HE2 MET 120 2HE MET 120 -9.243 -18.871 -1.477 816 HE3 MET 120 3HE MET 120 -9.968 -19.834 -0.188 817 HA PRO 121 HA PRO 121 -12.136 -16.462 -8.864 818 HB2 PRO 121 1HB PRO 121 -10.160 -18.030 -9.867 819 HB3 PRO 121 2HB PRO 121 -9.893 -16.360 -9.352 820 HG2 PRO 121 1HG PRO 121 -9.326 -18.909 -7.887 821 HG3 PRO 121 2HG PRO 121 -8.326 -17.451 -8.024 822 HD2 PRO 121 1HD PRO 121 -9.831 -17.986 -5.837 823 HD3 PRO 121 2HD PRO 121 -9.515 -16.332 -6.397 824 H PHE 122 H PHE 122 -13.299 -17.695 -10.285 825 HA PHE 122 HA PHE 122 -14.724 -19.879 -9.449 826 HB2 PHE 122 1HB PHE 122 -14.038 -18.793 -12.143 827 HB3 PHE 122 2HB PHE 122 -14.822 -20.367 -12.054 828 HD1 PHE 122 1HD PHE 122 -16.962 -20.465 -10.553 829 HD2 PHE 122 2HD PHE 122 -15.338 -16.898 -12.212 830 HE1 PHE 122 1HE PHE 122 -19.150 -19.364 -10.318 831 HE2 PHE 122 2HE PHE 122 -17.523 -15.791 -11.980 832 HZ PHE 122 HZ PHE 122 -19.432 -17.023 -11.031 833 H ASP 123 H ASP 123 -14.687 -22.129 -10.208 834 HA ASP 123 HA ASP 123 -11.928 -23.149 -10.271 835 HB2 ASP 123 1HB ASP 123 -12.639 -25.053 -9.122 836 HB3 ASP 123 2HB ASP 123 -13.601 -23.772 -8.389 837 HA PRO 124 HA PRO 124 -12.514 -24.643 -14.368 838 HB2 PRO 124 1HB PRO 124 -10.664 -26.630 -14.374 839 HB3 PRO 124 2HB PRO 124 -10.233 -24.916 -14.433 840 HG2 PRO 124 1HG PRO 124 -10.259 -26.784 -12.093 841 HG3 PRO 124 2HG PRO 124 -9.049 -25.567 -12.541 842 HD2 PRO 124 1HD PRO 124 -10.914 -25.132 -10.626 843 HD3 PRO 124 2HD PRO 124 -10.283 -23.832 -11.658 844 H SER 125 H SER 125 -14.678 -25.458 -13.925 845 HA SER 125 HA SER 125 -15.189 -28.008 -12.853 846 HB2 SER 125 1HB SER 125 -17.412 -27.717 -13.572 847 HB3 SER 125 2HB SER 125 -16.835 -26.072 -13.303 848 HG SER 125 HG SER 125 -16.767 -25.725 -15.434 849 H SER 126 H SER 126 -15.821 -29.952 -13.921 850 HA SER 126 HA SER 126 -14.130 -30.604 -16.134 851 HB2 SER 126 1HB SER 126 -15.189 -32.860 -15.944 852 HB3 SER 126 2HB SER 126 -14.522 -32.270 -14.421 853 HG SER 126 HG SER 126 -16.442 -32.588 -13.651 854 H GLY 127 H GLY 127 -14.727 -29.537 -17.974 855 HA2 GLY 127 1HA GLY 127 -17.478 -29.428 -18.833 856 HA3 GLY 127 2HA GLY 127 -16.081 -28.835 -19.720 857 HA PRO 128 HA PRO 128 -17.737 -33.040 -21.301 858 HB2 PRO 128 1HB PRO 128 -19.274 -32.172 -23.364 859 HB3 PRO 128 2HB PRO 128 -19.913 -32.446 -21.739 860 HG2 PRO 128 1HG PRO 128 -19.089 -29.880 -23.042 861 HG3 PRO 128 2HG PRO 128 -20.512 -30.219 -22.039 862 HD2 PRO 128 1HD PRO 128 -18.305 -28.987 -21.068 863 HD3 PRO 128 2HD PRO 128 -19.322 -30.048 -20.072 864 H SER 129 H SER 129 -15.985 -30.374 -22.261 865 HA SER 129 HA SER 129 -15.371 -31.258 -24.945 866 HB2 SER 129 1HB SER 129 -15.381 -28.881 -24.565 867 HB3 SER 129 2HB SER 129 -14.248 -29.038 -23.223 868 HG SER 129 HG SER 129 -13.275 -28.368 -25.229 869 H SER 130 H SER 130 -13.440 -30.769 -21.983 870 HA SER 130 HA SER 130 -11.144 -32.082 -22.915 871 HB2 SER 130 1HB SER 130 -12.153 -31.588 -20.108 872 HB3 SER 130 2HB SER 130 -10.567 -32.276 -20.460 873 HG SER 130 HG SER 130 -10.058 -30.374 -21.587 874 H GLY 131 H GLY 131 -13.622 -33.289 -20.643 875 HA2 GLY 131 1HA GLY 131 -12.741 -35.866 -20.319 876 HA3 GLY 131 2HA GLY 131 -14.440 -35.416 -20.322 Start of MODEL 6 1 H1 GLY 1 H GLY 1 36.072 53.424 -48.988 2 HA2 GLY 1 1HA GLY 1 34.852 52.046 -51.172 3 HA3 GLY 1 2HA GLY 1 36.195 51.129 -50.507 4 H SER 2 H SER 2 34.238 49.651 -50.201 5 HA SER 2 HA SER 2 33.545 49.713 -47.417 6 HB2 SER 2 1HB SER 2 31.105 49.699 -47.732 7 HB3 SER 2 2HB SER 2 31.810 51.209 -48.309 8 HG SER 2 HG SER 2 30.331 49.455 -49.656 9 H SER 3 H SER 3 32.098 47.794 -46.869 10 HA SER 3 HA SER 3 32.194 45.609 -48.776 11 HB2 SER 3 1HB SER 3 33.490 44.123 -47.377 12 HB3 SER 3 2HB SER 3 34.428 45.592 -47.646 13 HG SER 3 HG SER 3 33.663 44.519 -45.334 14 H GLY 4 H GLY 4 31.219 43.581 -47.781 15 HA2 GLY 4 1HA GLY 4 28.988 44.405 -46.033 16 HA3 GLY 4 2HA GLY 4 28.893 43.130 -47.238 17 H SER 5 H SER 5 28.103 41.706 -45.618 18 HA SER 5 HA SER 5 30.232 40.344 -44.209 19 HB2 SER 5 1HB SER 5 29.154 42.231 -42.717 20 HB3 SER 5 2HB SER 5 27.859 41.050 -42.525 21 HG SER 5 HG SER 5 30.495 40.195 -42.165 22 H SER 6 H SER 6 29.506 38.280 -43.281 23 HA SER 6 HA SER 6 27.588 37.024 -45.040 24 HB2 SER 6 1HB SER 6 29.577 36.057 -43.020 25 HB3 SER 6 2HB SER 6 28.279 34.979 -43.531 26 HG SER 6 HG SER 6 30.095 34.716 -44.857 27 H GLY 7 H GLY 7 25.625 36.168 -44.495 28 HA2 GLY 7 1HA GLY 7 24.367 37.247 -42.135 29 HA3 GLY 7 2HA GLY 7 23.596 36.276 -43.380 30 H ASP 8 H ASP 8 22.896 35.804 -40.826 31 HA ASP 8 HA ASP 8 24.140 33.191 -40.307 32 HB2 ASP 8 1HB ASP 8 24.739 35.176 -38.682 33 HB3 ASP 8 2HB ASP 8 23.146 34.832 -38.012 34 H VAL 9 H VAL 9 22.637 31.713 -40.700 35 HA VAL 9 HA VAL 9 19.833 32.300 -40.593 36 HB VAL 9 HB VAL 9 20.656 30.744 -42.260 37 HG11 VAL 9 1HG1 VAL 9 22.009 28.992 -41.864 38 HG12 VAL 9 2HG1 VAL 9 22.358 29.837 -40.355 39 HG13 VAL 9 3HG1 VAL 9 21.162 28.541 -40.385 40 HG21 VAL 9 1HG2 VAL 9 18.567 29.981 -42.094 41 HG22 VAL 9 2HG2 VAL 9 19.231 28.653 -41.144 42 HG23 VAL 9 3HG2 VAL 9 18.588 30.081 -40.334 43 H THR 10 H THR 10 18.608 32.260 -38.839 44 HA THR 10 HA THR 10 19.576 31.102 -36.378 45 HB THR 10 HB THR 10 17.383 31.934 -35.449 46 HG1 THR 10 1HG THR 10 16.455 33.575 -37.040 47 HG21 THR 10 1HG2 THR 10 19.693 33.343 -36.199 48 HG22 THR 10 2HG2 THR 10 18.514 33.794 -34.967 49 HG23 THR 10 3HG2 THR 10 18.334 34.384 -36.619 50 H TYR 11 H TYR 11 18.227 29.662 -35.058 51 HA TYR 11 HA TYR 11 17.446 27.362 -36.531 52 HB2 TYR 11 1HB TYR 11 17.277 26.291 -34.490 53 HB3 TYR 11 2HB TYR 11 18.382 27.600 -34.088 54 HD1 TYR 11 2HD TYR 11 17.113 29.837 -33.312 55 HD2 TYR 11 1HD TYR 11 15.543 25.893 -33.028 56 HE1 TYR 11 2HE TYR 11 15.591 30.578 -31.527 57 HE2 TYR 11 1HE TYR 11 14.016 26.623 -31.243 58 HH TYR 11 HH TYR 11 13.372 29.830 -30.574 59 H ASP 12 H ASP 12 15.283 26.250 -35.883 60 HA ASP 12 HA ASP 12 13.123 28.222 -36.250 61 HB2 ASP 12 1HB ASP 12 11.901 26.245 -37.331 62 HB3 ASP 12 2HB ASP 12 13.216 26.974 -38.247 63 H GLY 13 H GLY 13 11.909 28.437 -34.496 64 HA2 GLY 13 1HA GLY 13 10.857 26.094 -33.159 65 HA3 GLY 13 2HA GLY 13 11.939 27.066 -32.173 66 H HIS 14 H HIS 14 9.630 26.907 -31.066 67 HA HIS 14 HA HIS 14 8.427 29.528 -31.492 68 HB2 HIS 14 1HB HIS 14 6.618 27.146 -31.181 69 HB3 HIS 14 2HB HIS 14 6.213 28.773 -31.721 70 HD1 HIS 14 1HD HIS 14 5.918 28.994 -34.162 71 HD2 HIS 14 2HD HIS 14 8.392 25.800 -33.193 72 HE1 HIS 14 1HE HIS 14 6.462 27.877 -36.349 73 HE2 HIS 14 2HE HIS 14 7.890 25.898 -35.728 74 HA PRO 15 HA PRO 15 8.504 29.576 -27.092 75 HB2 PRO 15 1HB PRO 15 6.676 31.533 -26.648 76 HB3 PRO 15 2HB PRO 15 8.301 31.858 -27.263 77 HG2 PRO 15 1HG PRO 15 5.717 31.648 -28.759 78 HG3 PRO 15 2HG PRO 15 7.028 32.826 -28.951 79 HD2 PRO 15 1HD PRO 15 6.721 30.704 -30.606 80 HD3 PRO 15 2HD PRO 15 8.313 31.379 -30.204 81 H VAL 16 H VAL 16 7.312 28.939 -25.277 82 HA VAL 16 HA VAL 16 5.011 27.282 -25.873 83 HB VAL 16 HB VAL 16 5.176 26.555 -23.528 84 HG11 VAL 16 1HG1 VAL 16 6.656 25.697 -25.482 85 HG12 VAL 16 2HG1 VAL 16 7.964 26.494 -24.607 86 HG13 VAL 16 3HG1 VAL 16 7.035 25.212 -23.830 87 HG21 VAL 16 1HG2 VAL 16 6.321 28.976 -23.054 88 HG22 VAL 16 2HG2 VAL 16 6.379 27.604 -21.947 89 HG23 VAL 16 3HG2 VAL 16 7.729 27.914 -23.039 90 HA PRO 17 HA PRO 17 1.928 30.155 -24.605 91 HB2 PRO 17 1HB PRO 17 -0.028 28.414 -23.886 92 HB3 PRO 17 2HB PRO 17 0.410 28.726 -25.570 93 HG2 PRO 17 1HG PRO 17 1.217 26.457 -23.791 94 HG3 PRO 17 2HG PRO 17 0.714 26.421 -25.491 95 HD2 PRO 17 1HD PRO 17 3.312 26.299 -24.738 96 HD3 PRO 17 2HD PRO 17 2.791 27.070 -26.250 97 H GLY 18 H GLY 18 1.713 31.292 -22.783 98 HA2 GLY 18 1HA GLY 18 0.900 31.343 -20.481 99 HA3 GLY 18 2HA GLY 18 1.767 29.838 -20.214 100 H SER 19 H SER 19 2.765 30.880 -18.395 101 HA SER 19 HA SER 19 4.800 32.877 -19.119 102 HB2 SER 19 1HB SER 19 3.296 32.305 -16.596 103 HB3 SER 19 2HB SER 19 4.900 33.030 -16.487 104 HG SER 19 HG SER 19 2.537 34.071 -17.567 105 HA PRO 20 HA PRO 20 7.224 29.005 -18.536 106 HB2 PRO 20 1HB PRO 20 9.043 29.605 -20.460 107 HB3 PRO 20 2HB PRO 20 7.498 28.820 -20.810 108 HG2 PRO 20 1HG PRO 20 8.264 31.701 -21.083 109 HG3 PRO 20 2HG PRO 20 7.330 30.682 -22.193 110 HD2 PRO 20 1HD PRO 20 6.161 32.442 -20.500 111 HD3 PRO 20 2HD PRO 20 5.388 30.916 -20.975 112 H TYR 21 H TYR 21 7.586 32.198 -17.823 113 HA TYR 21 HA TYR 21 10.419 32.042 -17.127 114 HB2 TYR 21 1HB TYR 21 9.157 34.093 -18.189 115 HB3 TYR 21 2HB TYR 21 8.710 34.423 -16.519 116 HD1 TYR 21 2HD TYR 21 11.833 33.357 -18.290 117 HD2 TYR 21 1HD TYR 21 10.014 36.038 -15.532 118 HE1 TYR 21 2HE TYR 21 14.005 34.454 -17.933 119 HE2 TYR 21 1HE TYR 21 12.181 37.143 -15.167 120 HH TYR 21 HH TYR 21 14.388 37.039 -15.547 121 H THR 22 H THR 22 8.500 30.382 -15.739 122 HA THR 22 HA THR 22 8.811 31.478 -13.020 123 HB THR 22 HB THR 22 6.777 30.156 -12.385 124 HG1 THR 22 1HG THR 22 5.527 29.272 -13.969 125 HG21 THR 22 1HG2 THR 22 5.235 31.747 -13.908 126 HG22 THR 22 2HG2 THR 22 6.796 32.535 -14.143 127 HG23 THR 22 3HG2 THR 22 6.146 32.332 -12.516 128 H VAL 23 H VAL 23 9.825 30.212 -11.581 129 HA VAL 23 HA VAL 23 10.920 27.694 -12.488 130 HB VAL 23 HB VAL 23 12.107 27.687 -10.306 131 HG11 VAL 23 1HG1 VAL 23 13.107 28.735 -12.274 132 HG12 VAL 23 2HG1 VAL 23 12.332 30.265 -11.858 133 HG13 VAL 23 3HG1 VAL 23 13.565 29.582 -10.797 134 HG21 VAL 23 1HG2 VAL 23 11.148 28.811 -8.634 135 HG22 VAL 23 2HG2 VAL 23 11.809 30.270 -9.372 136 HG23 VAL 23 3HG2 VAL 23 10.159 29.767 -9.738 137 H GLU 24 H GLU 24 8.981 26.450 -12.621 138 HA GLU 24 HA GLU 24 7.522 25.919 -10.166 139 HB2 GLU 24 1HB GLU 24 7.196 24.829 -12.966 140 HB3 GLU 24 2HB GLU 24 6.147 24.428 -11.614 141 HG2 GLU 24 1HG GLU 24 5.221 26.549 -11.532 142 HG3 GLU 24 2HG GLU 24 6.563 27.276 -12.413 143 H ALA 25 H ALA 25 10.214 25.190 -10.014 144 HA ALA 25 HA ALA 25 10.180 22.259 -10.225 145 HB1 ALA 25 1HB ALA 25 12.052 23.602 -11.268 146 HB2 ALA 25 2HB ALA 25 12.579 23.971 -9.625 147 HB3 ALA 25 3HB ALA 25 12.541 22.299 -10.185 148 H SER 26 H SER 26 8.692 23.571 -8.169 149 HA SER 26 HA SER 26 9.525 22.094 -5.923 150 HB2 SER 26 1HB SER 26 11.252 23.895 -5.829 151 HB3 SER 26 2HB SER 26 9.957 25.078 -5.649 152 HG SER 26 HG SER 26 10.772 23.055 -3.860 153 H LEU 27 H LEU 27 7.550 21.483 -5.336 154 HA LEU 27 HA LEU 27 5.581 23.563 -4.705 155 HB2 LEU 27 1HB LEU 27 4.918 21.021 -6.181 156 HB3 LEU 27 2HB LEU 27 3.791 22.294 -5.717 157 HG LEU 27 HG LEU 27 6.056 22.992 -7.522 158 HD11 LEU 27 1HD1 LEU 27 5.120 20.885 -8.423 159 HD12 LEU 27 2HD1 LEU 27 4.853 22.273 -9.476 160 HD13 LEU 27 3HD1 LEU 27 3.533 21.653 -8.484 161 HD21 LEU 27 1HD2 LEU 27 4.908 24.886 -7.601 162 HD22 LEU 27 2HD2 LEU 27 3.665 24.196 -6.557 163 HD23 LEU 27 3HD2 LEU 27 3.541 24.024 -8.308 164 HA PRO 28 HA PRO 28 5.152 21.302 -0.953 165 HB2 PRO 28 1HB PRO 28 2.710 22.203 -0.184 166 HB3 PRO 28 2HB PRO 28 4.170 23.195 -0.100 167 HG2 PRO 28 1HG PRO 28 2.013 23.170 -2.176 168 HG3 PRO 28 2HG PRO 28 2.831 24.555 -1.430 169 HD2 PRO 28 1HD PRO 28 3.486 23.627 -3.888 170 HD3 PRO 28 2HD PRO 28 4.678 24.360 -2.795 171 HA PRO 29 HA PRO 29 2.863 17.652 -1.915 172 HB2 PRO 29 1HB PRO 29 2.689 16.593 0.578 173 HB3 PRO 29 2HB PRO 29 4.186 16.595 -0.362 174 HG2 PRO 29 1HG PRO 29 3.321 18.445 1.827 175 HG3 PRO 29 2HG PRO 29 4.908 17.702 1.551 176 HD2 PRO 29 1HD PRO 29 4.360 20.264 0.866 177 HD3 PRO 29 2HD PRO 29 5.496 19.253 -0.050 178 H ASP 30 H ASP 30 0.765 17.560 -2.379 179 HA ASP 30 HA ASP 30 -1.169 18.483 -0.355 180 HB2 ASP 30 1HB ASP 30 -0.999 19.016 -3.278 181 HB3 ASP 30 2HB ASP 30 -2.604 18.785 -2.591 182 HA PRO 31 HA PRO 31 -2.077 14.051 -0.945 183 HB2 PRO 31 1HB PRO 31 -3.135 13.730 1.534 184 HB3 PRO 31 2HB PRO 31 -1.397 13.673 1.217 185 HG2 PRO 31 1HG PRO 31 -3.056 15.930 2.272 186 HG3 PRO 31 2HG PRO 31 -1.462 15.367 2.808 187 HD2 PRO 31 1HD PRO 31 -1.781 17.527 1.207 188 HD3 PRO 31 2HD PRO 31 -0.362 16.464 1.106 189 H SER 32 H SER 32 -4.126 16.610 0.383 190 HA SER 32 HA SER 32 -6.598 15.358 0.248 191 HB2 SER 32 1HB SER 32 -7.572 17.523 0.352 192 HB3 SER 32 2HB SER 32 -6.043 17.650 1.221 193 HG SER 32 HG SER 32 -6.228 19.387 -0.181 194 H LYS 33 H LYS 33 -4.529 16.334 -2.288 195 HA LYS 33 HA LYS 33 -6.665 16.374 -4.275 196 HB2 LYS 33 1HB LYS 33 -3.687 16.830 -4.529 197 HB3 LYS 33 2HB LYS 33 -4.828 16.934 -5.863 198 HG2 LYS 33 1HG LYS 33 -5.077 18.624 -3.394 199 HG3 LYS 33 2HG LYS 33 -4.124 19.114 -4.796 200 HD2 LYS 33 1HD LYS 33 -7.012 18.304 -5.016 201 HD3 LYS 33 2HD LYS 33 -6.521 19.965 -4.674 202 HE2 LYS 33 1HE LYS 33 -5.298 18.544 -6.991 203 HE3 LYS 33 2HE LYS 33 -6.947 19.150 -7.139 204 HZ1 LYS 33 1HZ LYS 33 -4.440 20.640 -6.831 205 HZ2 LYS 33 2HZ LYS 33 -5.858 21.312 -6.201 206 HZ3 LYS 33 3HZ LYS 33 -5.756 20.947 -7.849 207 H VAL 34 H VAL 34 -4.412 14.207 -2.912 208 HA VAL 34 HA VAL 34 -3.988 12.485 -5.119 209 HB VAL 34 HB VAL 34 -3.905 11.860 -2.164 210 HG11 VAL 34 1HG1 VAL 34 -2.205 10.262 -3.875 211 HG12 VAL 34 2HG1 VAL 34 -3.368 9.753 -2.649 212 HG13 VAL 34 3HG1 VAL 34 -3.908 10.082 -4.296 213 HG21 VAL 34 1HG2 VAL 34 -2.354 13.656 -3.267 214 HG22 VAL 34 2HG2 VAL 34 -1.687 12.472 -2.143 215 HG23 VAL 34 3HG2 VAL 34 -1.495 12.243 -3.881 216 H LYS 35 H LYS 35 -5.595 11.531 -6.184 217 HA LYS 35 HA LYS 35 -7.824 10.388 -4.634 218 HB2 LYS 35 1HB LYS 35 -7.683 11.578 -7.385 219 HB3 LYS 35 2HB LYS 35 -8.947 10.420 -6.987 220 HG2 LYS 35 1HG LYS 35 -8.526 12.737 -5.172 221 HG3 LYS 35 2HG LYS 35 -9.322 13.007 -6.724 222 HD2 LYS 35 1HD LYS 35 -10.729 10.902 -5.972 223 HD3 LYS 35 2HD LYS 35 -10.229 11.433 -4.364 224 HE2 LYS 35 1HE LYS 35 -12.327 12.455 -4.823 225 HE3 LYS 35 2HE LYS 35 -11.097 13.711 -4.952 226 HZ1 LYS 35 1HZ LYS 35 -11.591 14.047 -7.079 227 HZ2 LYS 35 2HZ LYS 35 -12.983 13.121 -6.824 228 HZ3 LYS 35 3HZ LYS 35 -11.587 12.396 -7.446 229 H ALA 36 H ALA 36 -8.028 8.248 -4.597 230 HA ALA 36 HA ALA 36 -6.467 6.670 -6.532 231 HB1 ALA 36 1HB ALA 36 -7.314 6.066 -3.710 232 HB2 ALA 36 2HB ALA 36 -6.663 4.843 -4.802 233 HB3 ALA 36 3HB ALA 36 -5.677 6.233 -4.345 234 H HIS 37 H HIS 37 -7.606 5.701 -8.065 235 HA HIS 37 HA HIS 37 -10.220 4.558 -7.403 236 HB2 HIS 37 1HB HIS 37 -11.017 5.382 -9.697 237 HB3 HIS 37 2HB HIS 37 -10.920 6.573 -8.403 238 HD1 HIS 37 1HD HIS 37 -9.012 5.446 -11.470 239 HD2 HIS 37 2HD HIS 37 -9.309 8.721 -8.930 240 HE1 HIS 37 1HE HIS 37 -7.626 7.252 -12.537 241 HE2 HIS 37 2HE HIS 37 -7.752 9.196 -10.940 242 H GLY 38 H GLY 38 -10.533 2.576 -8.237 243 HA2 GLY 38 1HA GLY 38 -9.778 1.550 -10.656 244 HA3 GLY 38 2HA GLY 38 -8.367 1.313 -9.636 245 HA PRO 39 HA PRO 39 -11.452 -2.221 -9.174 246 HB2 PRO 39 1HB PRO 39 -9.840 -4.175 -10.150 247 HB3 PRO 39 2HB PRO 39 -10.926 -3.226 -11.172 248 HG2 PRO 39 1HG PRO 39 -7.986 -2.897 -10.714 249 HG3 PRO 39 2HG PRO 39 -8.900 -2.803 -12.231 250 HD2 PRO 39 1HD PRO 39 -8.094 -0.601 -10.876 251 HD3 PRO 39 2HD PRO 39 -9.594 -0.643 -11.825 252 H GLY 40 H GLY 40 -7.927 -2.141 -8.703 253 HA2 GLY 40 1HA GLY 40 -7.676 -4.128 -6.784 254 HA3 GLY 40 2HA GLY 40 -6.635 -2.716 -6.895 255 H LEU 41 H LEU 41 -9.028 -0.948 -6.462 256 HA LEU 41 HA LEU 41 -8.818 -0.839 -3.603 257 HB2 LEU 41 1HB LEU 41 -10.595 0.743 -5.454 258 HB3 LEU 41 2HB LEU 41 -10.235 1.126 -3.772 259 HG LEU 41 HG LEU 41 -8.235 1.139 -6.032 260 HD11 LEU 41 1HD1 LEU 41 -8.522 3.687 -4.920 261 HD12 LEU 41 2HD1 LEU 41 -10.162 3.088 -5.168 262 HD13 LEU 41 3HD1 LEU 41 -9.032 3.150 -6.521 263 HD21 LEU 41 1HD2 LEU 41 -6.803 2.280 -4.356 264 HD22 LEU 41 2HD2 LEU 41 -7.161 0.602 -3.951 265 HD23 LEU 41 3HD2 LEU 41 -8.011 1.910 -3.126 266 H GLU 42 H GLU 42 -11.462 -1.465 -5.898 267 HA GLU 42 HA GLU 42 -13.453 -1.917 -3.960 268 HB2 GLU 42 1HB GLU 42 -13.218 -2.930 -6.797 269 HB3 GLU 42 2HB GLU 42 -14.664 -3.079 -5.809 270 HG2 GLU 42 1HG GLU 42 -13.375 -0.457 -6.523 271 HG3 GLU 42 2HG GLU 42 -14.701 -1.190 -7.424 272 H GLY 43 H GLY 43 -11.143 -4.071 -5.535 273 HA2 GLY 43 1HA GLY 43 -10.678 -5.858 -3.601 274 HA3 GLY 43 2HA GLY 43 -12.241 -6.403 -4.192 275 H GLY 44 H GLY 44 -11.349 -8.385 -4.873 276 HA2 GLY 44 1HA GLY 44 -10.615 -8.532 -7.557 277 HA3 GLY 44 2HA GLY 44 -9.130 -8.585 -6.619 278 H LEU 45 H LEU 45 -8.505 -10.659 -6.871 279 HA LEU 45 HA LEU 45 -10.179 -12.697 -5.631 280 HB2 LEU 45 1HB LEU 45 -9.033 -12.995 -8.403 281 HB3 LEU 45 2HB LEU 45 -9.850 -14.259 -7.487 282 HG LEU 45 HG LEU 45 -11.300 -11.721 -8.109 283 HD11 LEU 45 1HD1 LEU 45 -11.460 -13.995 -10.020 284 HD12 LEU 45 2HD1 LEU 45 -10.128 -12.850 -10.174 285 HD13 LEU 45 3HD1 LEU 45 -11.795 -12.282 -10.269 286 HD21 LEU 45 1HD2 LEU 45 -12.115 -13.629 -6.589 287 HD22 LEU 45 2HD2 LEU 45 -12.351 -14.529 -8.087 288 HD23 LEU 45 3HD2 LEU 45 -13.216 -13.014 -7.821 289 H VAL 46 H VAL 46 -9.034 -14.437 -4.785 290 HA VAL 46 HA VAL 46 -6.390 -13.933 -3.974 291 HB VAL 46 HB VAL 46 -7.849 -16.579 -3.979 292 HG11 VAL 46 1HG1 VAL 46 -5.342 -15.618 -2.641 293 HG12 VAL 46 2HG1 VAL 46 -6.291 -16.948 -1.974 294 HG13 VAL 46 3HG1 VAL 46 -5.601 -17.080 -3.592 295 HG21 VAL 46 1HG2 VAL 46 -8.658 -14.322 -2.708 296 HG22 VAL 46 2HG2 VAL 46 -8.975 -15.959 -2.132 297 HG23 VAL 46 3HG2 VAL 46 -7.613 -15.046 -1.485 298 H GLY 47 H GLY 47 -4.433 -14.591 -4.718 299 HA2 GLY 47 1HA GLY 47 -2.884 -15.715 -6.033 300 HA3 GLY 47 2HA GLY 47 -4.203 -16.616 -6.766 301 H LYS 48 H LYS 48 -5.492 -13.845 -7.222 302 HA LYS 48 HA LYS 48 -4.135 -13.382 -9.781 303 HB2 LYS 48 1HB LYS 48 -6.927 -13.059 -8.805 304 HB3 LYS 48 2HB LYS 48 -6.368 -11.935 -10.037 305 HG2 LYS 48 1HG LYS 48 -5.572 -14.162 -11.208 306 HG3 LYS 48 2HG LYS 48 -6.848 -14.859 -10.207 307 HD2 LYS 48 1HD LYS 48 -8.387 -13.095 -11.131 308 HD3 LYS 48 2HD LYS 48 -7.105 -12.677 -12.271 309 HE2 LYS 48 1HE LYS 48 -8.127 -15.488 -12.007 310 HE3 LYS 48 2HE LYS 48 -8.927 -14.310 -13.045 311 HZ1 LYS 48 1HZ LYS 48 -6.062 -14.499 -13.394 312 HZ2 LYS 48 2HZ LYS 48 -7.290 -14.405 -14.553 313 HZ3 LYS 48 3HZ LYS 48 -6.919 -15.890 -13.833 314 HA PRO 49 HA PRO 49 -2.520 -9.510 -8.454 315 HB2 PRO 49 1HB PRO 49 -2.293 -8.276 -10.862 316 HB3 PRO 49 2HB PRO 49 -1.213 -9.575 -10.342 317 HG2 PRO 49 1HG PRO 49 -3.597 -9.703 -12.148 318 HG3 PRO 49 2HG PRO 49 -2.015 -10.484 -12.326 319 HD2 PRO 49 1HD PRO 49 -4.196 -11.802 -11.410 320 HD3 PRO 49 2HD PRO 49 -2.550 -12.185 -10.866 321 H ALA 50 H ALA 50 -3.077 -7.321 -8.171 322 HA ALA 50 HA ALA 50 -5.544 -6.327 -9.340 323 HB1 ALA 50 1HB ALA 50 -6.870 -6.594 -7.581 324 HB2 ALA 50 2HB ALA 50 -5.607 -7.575 -6.837 325 HB3 ALA 50 3HB ALA 50 -5.686 -5.844 -6.511 326 H GLU 51 H GLU 51 -5.205 -4.287 -9.906 327 HA GLU 51 HA GLU 51 -3.503 -2.601 -8.206 328 HB2 GLU 51 1HB GLU 51 -2.646 -1.557 -10.370 329 HB3 GLU 51 2HB GLU 51 -2.019 -3.145 -9.951 330 HG2 GLU 51 1HG GLU 51 -2.470 -3.482 -12.148 331 HG3 GLU 51 2HG GLU 51 -4.021 -3.957 -11.457 332 H PHE 52 H PHE 52 -3.682 -0.222 -9.051 333 HA PHE 52 HA PHE 52 -6.361 0.394 -10.025 334 HB2 PHE 52 1HB PHE 52 -6.541 2.121 -8.117 335 HB3 PHE 52 2HB PHE 52 -6.871 0.434 -7.736 336 HD1 PHE 52 1HD PHE 52 -4.771 -0.934 -6.919 337 HD2 PHE 52 2HD PHE 52 -5.141 3.303 -6.736 338 HE1 PHE 52 1HE PHE 52 -3.072 -0.865 -5.140 339 HE2 PHE 52 2HE PHE 52 -3.443 3.378 -4.958 340 HZ PHE 52 HZ PHE 52 -2.406 1.292 -4.158 341 H THR 53 H THR 53 -6.553 2.958 -10.011 342 HA THR 53 HA THR 53 -4.057 3.966 -11.212 343 HB THR 53 HB THR 53 -6.816 5.010 -11.837 344 HG1 THR 53 1HG THR 53 -6.714 2.804 -12.442 345 HG21 THR 53 1HG2 THR 53 -4.109 5.665 -12.636 346 HG22 THR 53 2HG2 THR 53 -5.610 6.549 -12.918 347 HG23 THR 53 3HG2 THR 53 -5.118 5.269 -14.026 348 H ILE 54 H ILE 54 -3.067 5.449 -10.026 349 HA ILE 54 HA ILE 54 -4.660 7.099 -8.188 350 HB ILE 54 HB ILE 54 -1.685 6.576 -8.185 351 HG12 ILE 54 1HG1 ILE 54 -3.876 5.553 -6.363 352 HG13 ILE 54 2HG1 ILE 54 -3.006 4.600 -7.561 353 HG21 ILE 54 1HG2 ILE 54 -3.220 7.822 -5.941 354 HG22 ILE 54 2HG2 ILE 54 -1.494 7.896 -6.291 355 HG23 ILE 54 3HG2 ILE 54 -2.634 8.808 -7.280 356 HD11 ILE 54 1HD1 ILE 54 -1.100 5.831 -5.862 357 HD12 ILE 54 2HD1 ILE 54 -2.337 5.074 -4.859 358 HD13 ILE 54 3HD1 ILE 54 -1.467 4.117 -6.057 359 H ASP 55 H ASP 55 -4.798 9.245 -8.438 360 HA ASP 55 HA ASP 55 -3.208 10.468 -10.594 361 HB2 ASP 55 1HB ASP 55 -6.018 10.856 -9.670 362 HB3 ASP 55 2HB ASP 55 -5.163 12.246 -10.333 363 H THR 56 H THR 56 -1.445 10.910 -9.188 364 HA THR 56 HA THR 56 -1.902 12.702 -6.942 365 HB THR 56 HB THR 56 0.488 12.476 -6.492 366 HG1 THR 56 1HG THR 56 1.290 12.307 -8.602 367 HG21 THR 56 1HG2 THR 56 -1.357 10.579 -6.083 368 HG22 THR 56 2HG2 THR 56 0.328 10.390 -5.597 369 HG23 THR 56 3HG2 THR 56 -0.242 9.670 -7.102 370 H LYS 57 H LYS 57 -2.241 13.455 -9.865 371 HA LYS 57 HA LYS 57 -0.188 15.266 -10.568 372 HB2 LYS 57 1HB LYS 57 -3.085 15.410 -11.409 373 HB3 LYS 57 2HB LYS 57 -1.696 16.072 -12.261 374 HG2 LYS 57 1HG LYS 57 -0.900 13.885 -12.803 375 HG3 LYS 57 2HG LYS 57 -2.123 13.133 -11.777 376 HD2 LYS 57 1HD LYS 57 -3.794 13.466 -13.292 377 HD3 LYS 57 2HD LYS 57 -3.070 14.946 -13.927 378 HE2 LYS 57 1HE LYS 57 -1.633 12.389 -14.390 379 HE3 LYS 57 2HE LYS 57 -3.108 12.679 -15.310 380 HZ1 LYS 57 1HZ LYS 57 -2.002 14.952 -15.786 381 HZ2 LYS 57 2HZ LYS 57 -1.504 13.590 -16.656 382 HZ3 LYS 57 3HZ LYS 57 -0.567 14.160 -15.367 383 H GLY 58 H GLY 58 0.200 17.320 -9.988 384 HA2 GLY 58 1HA GLY 58 -0.271 19.477 -9.222 385 HA3 GLY 58 2HA GLY 58 -1.899 18.953 -8.818 386 H ALA 59 H ALA 59 -1.160 16.701 -7.231 387 HA ALA 59 HA ALA 59 -1.170 17.606 -4.707 388 HB1 ALA 59 1HB ALA 59 -0.181 15.141 -5.956 389 HB2 ALA 59 2HB ALA 59 0.455 15.464 -4.343 390 HB3 ALA 59 3HB ALA 59 -1.287 15.366 -4.601 391 H GLY 60 H GLY 60 1.831 16.954 -6.523 392 HA2 GLY 60 1HA GLY 60 3.499 18.842 -6.257 393 HA3 GLY 60 2HA GLY 60 3.267 18.595 -4.532 394 H THR 61 H THR 61 5.198 17.861 -3.866 395 HA THR 61 HA THR 61 6.133 15.331 -5.027 396 HB THR 61 HB THR 61 7.466 17.427 -5.798 397 HG1 THR 61 1HG THR 61 9.141 15.500 -4.627 398 HG21 THR 61 1HG2 THR 61 7.657 18.369 -3.497 399 HG22 THR 61 2HG2 THR 61 9.209 18.163 -4.308 400 HG23 THR 61 3HG2 THR 61 8.698 17.011 -3.074 401 H GLY 62 H GLY 62 7.388 14.018 -3.595 402 HA2 GLY 62 1HA GLY 62 8.299 14.436 -1.100 403 HA3 GLY 62 2HA GLY 62 6.565 14.329 -0.832 404 H GLY 63 H GLY 63 6.902 12.459 0.460 405 HA2 GLY 63 1HA GLY 63 7.535 10.050 -1.132 406 HA3 GLY 63 2HA GLY 63 7.964 10.215 0.564 407 H LEU 64 H LEU 64 5.949 8.627 -1.356 408 HA LEU 64 HA LEU 64 3.596 8.871 0.376 409 HB2 LEU 64 1HB LEU 64 3.220 9.042 -2.030 410 HB3 LEU 64 2HB LEU 64 3.951 7.456 -2.263 411 HG LEU 64 HG LEU 64 2.009 6.713 -0.628 412 HD11 LEU 64 1HD1 LEU 64 1.179 8.973 -0.234 413 HD12 LEU 64 2HD1 LEU 64 -0.034 7.979 -1.039 414 HD13 LEU 64 3HD1 LEU 64 0.881 9.172 -1.961 415 HD21 LEU 64 1HD2 LEU 64 2.467 6.662 -3.397 416 HD22 LEU 64 2HD2 LEU 64 0.771 7.098 -3.186 417 HD23 LEU 64 3HD2 LEU 64 1.399 5.618 -2.459 418 H GLY 65 H GLY 65 2.947 7.271 1.709 419 HA2 GLY 65 1HA GLY 65 4.620 4.840 1.764 420 HA3 GLY 65 2HA GLY 65 3.839 5.546 3.171 421 H LEU 66 H LEU 66 3.659 3.123 0.909 422 HA LEU 66 HA LEU 66 0.757 2.804 1.307 423 HB2 LEU 66 1HB LEU 66 1.616 3.051 -1.049 424 HB3 LEU 66 2HB LEU 66 2.431 1.504 -0.830 425 HG LEU 66 HG LEU 66 -0.002 0.686 -0.233 426 HD11 LEU 66 1HD1 LEU 66 -0.440 3.201 -1.814 427 HD12 LEU 66 2HD1 LEU 66 -1.198 2.706 -0.301 428 HD13 LEU 66 3HD1 LEU 66 -1.603 1.875 -1.803 429 HD21 LEU 66 1HD2 LEU 66 -0.299 0.051 -2.573 430 HD22 LEU 66 2HD2 LEU 66 1.375 -0.161 -2.060 431 HD23 LEU 66 3HD2 LEU 66 0.926 1.227 -3.052 432 H THR 67 H THR 67 0.190 1.274 2.690 433 HA THR 67 HA THR 67 1.847 -1.144 2.902 434 HB THR 67 HB THR 67 1.253 -1.119 5.403 435 HG1 THR 67 1HG THR 67 0.806 1.612 4.718 436 HG21 THR 67 1HG2 THR 67 3.445 -0.720 5.477 437 HG22 THR 67 2HG2 THR 67 3.092 1.007 5.424 438 HG23 THR 67 3HG2 THR 67 3.384 0.120 3.928 439 H VAL 68 H VAL 68 0.747 -3.042 3.250 440 HA VAL 68 HA VAL 68 -2.171 -2.872 2.981 441 HB VAL 68 HB VAL 68 -0.204 -5.054 2.329 442 HG11 VAL 68 1HG1 VAL 68 -1.747 -6.563 2.888 443 HG12 VAL 68 2HG1 VAL 68 -2.976 -5.322 3.143 444 HG13 VAL 68 3HG1 VAL 68 -2.689 -5.962 1.524 445 HG21 VAL 68 1HG2 VAL 68 -0.386 -3.540 0.548 446 HG22 VAL 68 2HG2 VAL 68 -1.465 -4.866 0.113 447 HG23 VAL 68 3HG2 VAL 68 -2.128 -3.365 0.759 448 H GLU 69 H GLU 69 -3.171 -2.913 4.893 449 HA GLU 69 HA GLU 69 -2.088 -4.536 7.066 450 HB2 GLU 69 1HB GLU 69 -4.038 -2.283 6.885 451 HB3 GLU 69 2HB GLU 69 -4.165 -3.393 8.243 452 HG2 GLU 69 1HG GLU 69 -1.579 -2.055 7.535 453 HG3 GLU 69 2HG GLU 69 -2.784 -1.278 8.560 454 H GLY 70 H GLY 70 -2.730 -6.435 5.609 455 HA2 GLY 70 1HA GLY 70 -5.570 -7.120 6.029 456 HA3 GLY 70 2HA GLY 70 -4.553 -7.798 4.766 457 HA PRO 71 HA PRO 71 -4.766 -10.711 8.428 458 HB2 PRO 71 1HB PRO 71 -5.706 -12.842 7.033 459 HB3 PRO 71 2HB PRO 71 -6.765 -11.638 7.775 460 HG2 PRO 71 1HG PRO 71 -5.874 -11.878 4.927 461 HG3 PRO 71 2HG PRO 71 -7.485 -11.505 5.568 462 HD2 PRO 71 1HD PRO 71 -5.814 -9.595 4.626 463 HD3 PRO 71 2HD PRO 71 -6.960 -9.293 5.948 464 H CYS 72 H CYS 72 -3.285 -10.529 5.362 465 HA CYS 72 HA CYS 72 -1.060 -12.129 6.283 466 HB2 CYS 72 1HB CYS 72 -2.767 -13.668 5.099 467 HB3 CYS 72 2HB CYS 72 -2.247 -12.870 3.620 468 HG CYS 72 HG CYS 72 -0.036 -14.165 3.289 469 H GLU 73 H GLU 73 0.776 -11.185 5.680 470 HA GLU 73 HA GLU 73 0.905 -8.796 4.292 471 HB2 GLU 73 1HB GLU 73 2.687 -9.675 5.772 472 HB3 GLU 73 2HB GLU 73 3.106 -10.854 4.537 473 HG2 GLU 73 1HG GLU 73 3.444 -8.810 3.010 474 HG3 GLU 73 2HG GLU 73 3.484 -7.889 4.513 475 H ALA 74 H ALA 74 0.219 -8.492 2.273 476 HA ALA 74 HA ALA 74 0.747 -10.537 0.243 477 HB1 ALA 74 1HB ALA 74 -0.848 -9.264 -1.145 478 HB2 ALA 74 2HB ALA 74 -1.546 -9.793 0.386 479 HB3 ALA 74 3HB ALA 74 -1.046 -8.114 0.178 480 H LYS 75 H LYS 75 1.995 -10.185 -1.535 481 HA LYS 75 HA LYS 75 4.081 -8.335 -1.416 482 HB2 LYS 75 1HB LYS 75 3.867 -10.517 -2.788 483 HB3 LYS 75 2HB LYS 75 3.105 -9.506 -4.008 484 HG2 LYS 75 1HG LYS 75 5.049 -8.328 -4.436 485 HG3 LYS 75 2HG LYS 75 5.769 -8.755 -2.882 486 HD2 LYS 75 1HD LYS 75 6.913 -10.024 -4.527 487 HD3 LYS 75 2HD LYS 75 5.826 -11.142 -3.700 488 HE2 LYS 75 1HE LYS 75 4.170 -10.650 -5.577 489 HE3 LYS 75 2HE LYS 75 5.528 -9.912 -6.426 490 HZ1 LYS 75 1HZ LYS 75 6.536 -11.910 -6.745 491 HZ2 LYS 75 2HZ LYS 75 4.928 -12.432 -6.738 492 HZ3 LYS 75 3HZ LYS 75 5.881 -12.612 -5.352 493 H ILE 76 H ILE 76 4.499 -6.406 -2.475 494 HA ILE 76 HA ILE 76 2.259 -5.159 -3.910 495 HB ILE 76 HB ILE 76 3.913 -3.671 -1.875 496 HG12 ILE 76 1HG1 ILE 76 1.051 -4.528 -1.491 497 HG13 ILE 76 2HG1 ILE 76 2.393 -5.532 -0.954 498 HG21 ILE 76 1HG2 ILE 76 1.466 -2.413 -2.283 499 HG22 ILE 76 2HG2 ILE 76 3.037 -1.904 -2.900 500 HG23 ILE 76 3HG2 ILE 76 1.988 -2.918 -3.890 501 HD11 ILE 76 1HD1 ILE 76 1.589 -4.238 0.889 502 HD12 ILE 76 2HD1 ILE 76 3.184 -3.640 0.430 503 HD13 ILE 76 3HD1 ILE 76 1.738 -2.745 -0.037 504 H GLU 77 H GLU 77 2.954 -4.658 -5.873 505 HA GLU 77 HA GLU 77 5.739 -3.749 -6.191 506 HB2 GLU 77 1HB GLU 77 3.966 -5.344 -8.031 507 HB3 GLU 77 2HB GLU 77 5.407 -4.519 -8.610 508 HG2 GLU 77 1HG GLU 77 6.772 -5.810 -7.045 509 HG3 GLU 77 2HG GLU 77 5.326 -6.647 -6.483 510 H CYS 78 H CYS 78 5.638 -1.582 -6.223 511 HA CYS 78 HA CYS 78 3.562 -0.296 -7.857 512 HB2 CYS 78 1HB CYS 78 3.995 1.726 -6.596 513 HB3 CYS 78 2HB CYS 78 3.724 0.395 -5.477 514 HG CYS 78 HG CYS 78 6.514 2.205 -6.017 515 H SER 79 H SER 79 4.068 0.791 -9.659 516 HA SER 79 HA SER 79 6.877 1.483 -10.158 517 HB2 SER 79 1HB SER 79 6.568 -0.603 -11.328 518 HB3 SER 79 2HB SER 79 5.059 -0.034 -12.041 519 HG SER 79 HG SER 79 7.513 0.226 -12.997 520 H ASP 80 H ASP 80 6.973 3.589 -10.515 521 HA ASP 80 HA ASP 80 4.757 5.231 -11.028 522 HB2 ASP 80 1HB ASP 80 7.543 6.048 -11.792 523 HB3 ASP 80 2HB ASP 80 6.258 7.020 -11.080 524 H ASN 81 H ASN 81 4.302 6.535 -12.909 525 HA ASN 81 HA ASN 81 4.776 5.040 -15.386 526 HB2 ASN 81 1HB ASN 81 2.654 6.996 -14.528 527 HB3 ASN 81 2HB ASN 81 2.896 6.600 -16.227 528 HD21 ASN 81 1HD2 ASN 81 1.612 5.593 -13.230 529 HD22 ASN 81 2HD2 ASN 81 0.961 4.082 -13.756 530 H GLY 82 H GLY 82 4.691 8.405 -14.208 531 HA2 GLY 82 1HA GLY 82 6.670 9.784 -14.723 532 HA3 GLY 82 2HA GLY 82 6.643 9.065 -16.327 533 H ASP 83 H ASP 83 3.529 9.358 -15.889 534 HA ASP 83 HA ASP 83 3.444 12.034 -17.084 535 HB2 ASP 83 1HB ASP 83 2.453 10.042 -18.291 536 HB3 ASP 83 2HB ASP 83 1.227 9.984 -17.027 537 H GLY 84 H GLY 84 2.663 10.341 -14.226 538 HA2 GLY 84 1HA GLY 84 2.216 12.017 -12.371 539 HA3 GLY 84 2HA GLY 84 0.858 12.514 -13.370 540 H THR 85 H THR 85 1.736 9.166 -13.225 541 HA THR 85 HA THR 85 -0.347 8.617 -11.241 542 HB THR 85 HB THR 85 -1.169 6.727 -12.748 543 HG1 THR 85 1HG THR 85 -0.850 7.292 -15.042 544 HG21 THR 85 1HG2 THR 85 -2.103 9.222 -12.372 545 HG22 THR 85 2HG2 THR 85 -2.904 8.035 -13.401 546 HG23 THR 85 3HG2 THR 85 -1.854 9.257 -14.117 547 H CYS 86 H CYS 86 -0.429 6.084 -10.936 548 HA CYS 86 HA CYS 86 2.247 4.922 -11.124 549 HB2 CYS 86 1HB CYS 86 1.728 6.153 -8.854 550 HB3 CYS 86 2HB CYS 86 0.809 4.693 -8.510 551 HG CYS 86 HG CYS 86 3.746 3.794 -9.630 552 H SER 87 H SER 87 2.290 2.686 -11.176 553 HA SER 87 HA SER 87 -0.345 1.409 -11.466 554 HB2 SER 87 1HB SER 87 1.144 -0.371 -12.689 555 HB3 SER 87 2HB SER 87 0.701 1.120 -13.521 556 HG SER 87 HG SER 87 2.727 1.665 -13.565 557 H VAL 88 H VAL 88 -0.348 1.223 -9.088 558 HA VAL 88 HA VAL 88 1.537 -0.597 -7.874 559 HB VAL 88 HB VAL 88 -0.985 0.645 -6.767 560 HG11 VAL 88 1HG1 VAL 88 1.170 -0.981 -5.428 561 HG12 VAL 88 2HG1 VAL 88 -0.034 -0.026 -4.561 562 HG13 VAL 88 3HG1 VAL 88 -0.541 -1.381 -5.570 563 HG21 VAL 88 1HG2 VAL 88 0.819 1.915 -5.414 564 HG22 VAL 88 2HG2 VAL 88 1.906 1.425 -6.714 565 HG23 VAL 88 3HG2 VAL 88 0.489 2.412 -7.074 566 H SER 89 H SER 89 1.361 -2.732 -7.852 567 HA SER 89 HA SER 89 -1.313 -3.936 -8.127 568 HB2 SER 89 1HB SER 89 -0.191 -5.778 -9.441 569 HB3 SER 89 2HB SER 89 -0.261 -4.220 -10.264 570 HG SER 89 HG SER 89 1.807 -5.079 -10.459 571 H TYR 90 H TYR 90 -1.804 -5.429 -6.648 572 HA TYR 90 HA TYR 90 0.388 -6.553 -5.030 573 HB2 TYR 90 1HB TYR 90 -0.958 -6.398 -3.060 574 HB3 TYR 90 2HB TYR 90 -1.003 -4.821 -3.840 575 HD1 TYR 90 1HD TYR 90 -3.046 -4.012 -4.898 576 HD2 TYR 90 2HD TYR 90 -2.936 -7.791 -2.947 577 HE1 TYR 90 1HE TYR 90 -5.505 -4.077 -4.898 578 HE2 TYR 90 2HE TYR 90 -5.395 -7.867 -2.942 579 HH TYR 90 HH TYR 90 -7.312 -5.348 -3.316 580 H LEU 91 H LEU 91 0.150 -8.684 -4.303 581 HA LEU 91 HA LEU 91 -1.995 -10.216 -5.621 582 HB2 LEU 91 1HB LEU 91 0.933 -10.650 -5.507 583 HB3 LEU 91 2HB LEU 91 -0.094 -12.077 -5.381 584 HG LEU 91 HG LEU 91 -0.488 -10.152 -7.636 585 HD11 LEU 91 1HD1 LEU 91 1.675 -12.224 -7.393 586 HD12 LEU 91 2HD1 LEU 91 1.833 -10.521 -7.820 587 HD13 LEU 91 3HD1 LEU 91 1.075 -11.645 -8.947 588 HD21 LEU 91 1HD2 LEU 91 -2.136 -11.701 -7.802 589 HD22 LEU 91 2HD2 LEU 91 -1.214 -12.940 -6.951 590 HD23 LEU 91 3HD2 LEU 91 -0.868 -12.591 -8.645 591 HA PRO 92 HA PRO 92 -2.726 -11.104 -1.256 592 HB2 PRO 92 1HB PRO 92 -5.214 -12.113 -1.658 593 HB3 PRO 92 2HB PRO 92 -4.883 -10.379 -1.580 594 HG2 PRO 92 1HG PRO 92 -5.250 -12.131 -3.979 595 HG3 PRO 92 2HG PRO 92 -5.889 -10.505 -3.672 596 HD2 PRO 92 1HD PRO 92 -3.718 -10.947 -5.230 597 HD3 PRO 92 2HD PRO 92 -3.906 -9.480 -4.247 598 H THR 93 H THR 93 -3.178 -13.072 -0.065 599 HA THR 93 HA THR 93 -2.414 -15.480 -1.579 600 HB THR 93 HB THR 93 -1.800 -16.326 0.803 601 HG1 THR 93 1HG THR 93 -2.765 -14.189 1.624 602 HG21 THR 93 1HG2 THR 93 -0.349 -15.216 -1.245 603 HG22 THR 93 2HG2 THR 93 0.333 -16.001 0.179 604 HG23 THR 93 3HG2 THR 93 0.148 -14.247 0.141 605 H LYS 94 H LYS 94 -4.557 -14.227 0.930 606 HA LYS 94 HA LYS 94 -6.329 -16.524 0.458 607 HB2 LYS 94 1HB LYS 94 -6.815 -16.749 2.788 608 HB3 LYS 94 2HB LYS 94 -5.065 -16.768 2.613 609 HG2 LYS 94 1HG LYS 94 -5.212 -14.244 3.122 610 HG3 LYS 94 2HG LYS 94 -6.825 -14.625 3.731 611 HD2 LYS 94 1HD LYS 94 -4.521 -16.283 4.640 612 HD3 LYS 94 2HD LYS 94 -4.720 -14.665 5.317 613 HE2 LYS 94 1HE LYS 94 -5.961 -15.869 6.810 614 HE3 LYS 94 2HE LYS 94 -7.210 -15.479 5.629 615 HZ1 LYS 94 1HZ LYS 94 -6.786 -17.932 6.491 616 HZ2 LYS 94 2HZ LYS 94 -5.701 -17.936 5.194 617 HZ3 LYS 94 3HZ LYS 94 -7.339 -17.610 4.924 618 HA PRO 95 HA PRO 95 -9.500 -13.533 -0.095 619 HB2 PRO 95 1HB PRO 95 -11.672 -14.975 0.662 620 HB3 PRO 95 2HB PRO 95 -10.812 -15.259 -0.856 621 HG2 PRO 95 1HG PRO 95 -10.608 -16.734 1.741 622 HG3 PRO 95 2HG PRO 95 -10.674 -17.378 0.090 623 HD2 PRO 95 1HD PRO 95 -8.357 -17.144 1.471 624 HD3 PRO 95 2HD PRO 95 -8.439 -16.969 -0.294 625 H GLY 96 H GLY 96 -9.833 -11.815 1.164 626 HA2 GLY 96 1HA GLY 96 -11.302 -11.982 3.598 627 HA3 GLY 96 2HA GLY 96 -9.596 -11.705 3.918 628 H GLU 97 H GLU 97 -9.203 -9.642 4.321 629 HA GLU 97 HA GLU 97 -10.357 -7.615 2.551 630 HB2 GLU 97 1HB GLU 97 -10.412 -7.463 5.570 631 HB3 GLU 97 2HB GLU 97 -10.866 -6.160 4.481 632 HG2 GLU 97 1HG GLU 97 -12.224 -8.832 4.417 633 HG3 GLU 97 2HG GLU 97 -12.737 -7.540 5.500 634 H TYR 98 H TYR 98 -8.741 -6.484 1.725 635 HA TYR 98 HA TYR 98 -6.277 -6.174 3.304 636 HB2 TYR 98 1HB TYR 98 -6.683 -6.010 0.310 637 HB3 TYR 98 2HB TYR 98 -5.148 -5.776 1.140 638 HD1 TYR 98 1HD TYR 98 -7.807 -8.271 0.456 639 HD2 TYR 98 2HD TYR 98 -3.798 -7.617 1.720 640 HE1 TYR 98 1HE TYR 98 -7.379 -10.690 0.327 641 HE2 TYR 98 2HE TYR 98 -3.358 -10.034 1.594 642 HH TYR 98 HH TYR 98 -4.526 -12.120 1.608 643 H PHE 99 H PHE 99 -6.211 -4.275 4.305 644 HA PHE 99 HA PHE 99 -7.517 -1.948 3.142 645 HB2 PHE 99 1HB PHE 99 -6.235 -2.484 5.819 646 HB3 PHE 99 2HB PHE 99 -6.758 -0.873 5.335 647 HD1 PHE 99 2HD PHE 99 -8.055 -4.359 5.574 648 HD2 PHE 99 1HD PHE 99 -8.888 -0.195 5.870 649 HE1 PHE 99 2HE PHE 99 -10.335 -4.873 6.344 650 HE2 PHE 99 1HE PHE 99 -11.169 -0.703 6.640 651 HZ PHE 99 HZ PHE 99 -11.895 -3.044 6.877 652 H VAL 100 H VAL 100 -6.423 -0.764 1.729 653 HA VAL 100 HA VAL 100 -3.517 -0.725 1.761 654 HB VAL 100 HB VAL 100 -5.398 0.681 -0.139 655 HG11 VAL 100 1HG1 VAL 100 -3.336 1.719 -0.384 656 HG12 VAL 100 2HG1 VAL 100 -2.438 0.229 -0.087 657 HG13 VAL 100 3HG1 VAL 100 -3.290 0.457 -1.615 658 HG21 VAL 100 1HG2 VAL 100 -3.983 -1.662 -1.134 659 HG22 VAL 100 2HG2 VAL 100 -5.121 -2.041 0.158 660 HG23 VAL 100 3HG2 VAL 100 -5.680 -1.213 -1.295 661 H ASN 101 H ASN 101 -2.641 0.602 3.229 662 HA ASN 101 HA ASN 101 -3.899 3.087 3.977 663 HB2 ASN 101 1HB ASN 101 -1.249 1.862 4.769 664 HB3 ASN 101 2HB ASN 101 -1.905 3.346 5.454 665 HD21 ASN 101 1HD2 ASN 101 -2.407 -0.106 5.113 666 HD22 ASN 101 2HD2 ASN 101 -3.410 -0.288 6.509 667 H ILE 102 H ILE 102 -3.779 4.780 2.659 668 HA ILE 102 HA ILE 102 -1.273 5.243 1.183 669 HB ILE 102 HB ILE 102 -4.040 6.289 0.570 670 HG12 ILE 102 1HG1 ILE 102 -2.373 4.233 -0.896 671 HG13 ILE 102 2HG1 ILE 102 -3.733 3.855 0.155 672 HG21 ILE 102 1HG2 ILE 102 -3.182 7.503 -1.158 673 HG22 ILE 102 2HG2 ILE 102 -1.823 7.595 -0.039 674 HG23 ILE 102 3HG2 ILE 102 -1.795 6.435 -1.367 675 HD11 ILE 102 1HD1 ILE 102 -4.917 3.881 -1.734 676 HD12 ILE 102 2HD1 ILE 102 -4.849 5.635 -1.569 677 HD13 ILE 102 3HD1 ILE 102 -3.692 4.802 -2.605 678 H LEU 103 H LEU 103 -0.022 6.675 2.183 679 HA LEU 103 HA LEU 103 -1.256 9.149 3.178 680 HB2 LEU 103 1HB LEU 103 0.760 8.975 4.894 681 HB3 LEU 103 2HB LEU 103 -0.829 8.288 5.225 682 HG LEU 103 HG LEU 103 0.242 6.129 4.170 683 HD11 LEU 103 1HD1 LEU 103 2.607 7.793 4.979 684 HD12 LEU 103 2HD1 LEU 103 2.334 6.923 3.469 685 HD13 LEU 103 3HD1 LEU 103 2.662 6.030 4.954 686 HD21 LEU 103 1HD2 LEU 103 1.351 5.951 6.661 687 HD22 LEU 103 2HD2 LEU 103 -0.345 5.657 6.278 688 HD23 LEU 103 3HD2 LEU 103 0.164 7.238 6.874 689 H PHE 104 H PHE 104 -0.306 10.952 2.469 690 HA PHE 104 HA PHE 104 2.212 10.681 0.988 691 HB2 PHE 104 1HB PHE 104 0.000 11.706 0.021 692 HB3 PHE 104 2HB PHE 104 0.503 13.142 0.906 693 HD1 PHE 104 1HD PHE 104 2.247 10.600 -1.203 694 HD2 PHE 104 2HD PHE 104 1.453 14.714 -0.455 695 HE1 PHE 104 1HE PHE 104 3.728 11.221 -3.067 696 HE2 PHE 104 2HE PHE 104 2.932 15.342 -2.318 697 HZ PHE 104 HZ PHE 104 4.072 13.595 -3.627 698 H GLU 105 H GLU 105 3.981 11.199 2.080 699 HA GLU 105 HA GLU 105 5.441 12.257 3.468 700 HB2 GLU 105 1HB GLU 105 3.519 14.535 2.981 701 HB3 GLU 105 2HB GLU 105 5.037 14.713 3.851 702 HG2 GLU 105 1HG GLU 105 5.038 13.535 1.113 703 HG3 GLU 105 2HG GLU 105 4.896 15.280 1.317 704 H GLU 106 H GLU 106 3.595 10.631 4.723 705 HA GLU 106 HA GLU 106 2.962 10.092 6.848 706 HB2 GLU 106 1HB GLU 106 3.843 12.820 7.766 707 HB3 GLU 106 2HB GLU 106 3.746 11.335 8.701 708 HG2 GLU 106 1HG GLU 106 5.540 10.472 7.042 709 HG3 GLU 106 2HG GLU 106 5.801 12.183 6.711 710 H VAL 107 H VAL 107 1.264 11.502 4.912 711 HA VAL 107 HA VAL 107 -0.736 12.539 6.810 712 HB VAL 107 HB VAL 107 -0.411 13.603 4.008 713 HG11 VAL 107 1HG1 VAL 107 -1.637 15.436 5.768 714 HG12 VAL 107 2HG1 VAL 107 -2.369 14.568 4.418 715 HG13 VAL 107 3HG1 VAL 107 -2.402 13.871 6.038 716 HG21 VAL 107 1HG2 VAL 107 0.363 15.254 6.347 717 HG22 VAL 107 2HG2 VAL 107 1.494 14.006 5.821 718 HG23 VAL 107 3HG2 VAL 107 0.984 15.265 4.696 719 H HIS 108 H HIS 108 -2.362 11.142 6.857 720 HA HIS 108 HA HIS 108 -2.870 9.214 4.855 721 HB2 HIS 108 1HB HIS 108 -4.199 10.092 7.363 722 HB3 HIS 108 2HB HIS 108 -5.187 9.205 6.207 723 HD1 HIS 108 1HD HIS 108 -5.053 6.734 6.355 724 HD2 HIS 108 2HD HIS 108 -1.759 8.578 8.092 725 HE1 HIS 108 1HE HIS 108 -3.714 4.877 7.396 726 HE2 HIS 108 2HE HIS 108 -1.771 6.026 8.514 727 H ILE 109 H ILE 109 -3.805 9.475 2.948 728 HA ILE 109 HA ILE 109 -5.025 11.904 2.149 729 HB ILE 109 HB ILE 109 -5.509 10.812 0.048 730 HG12 ILE 109 1HG1 ILE 109 -4.474 8.195 1.075 731 HG13 ILE 109 2HG1 ILE 109 -6.162 8.618 1.340 732 HG21 ILE 109 1HG2 ILE 109 -3.105 11.397 0.830 733 HG22 ILE 109 2HG2 ILE 109 -2.874 9.650 0.846 734 HG23 ILE 109 3HG2 ILE 109 -3.332 10.464 -0.649 735 HD11 ILE 109 1HD1 ILE 109 -5.689 7.226 -0.688 736 HD12 ILE 109 2HD1 ILE 109 -6.589 8.713 -0.984 737 HD13 ILE 109 3HD1 ILE 109 -4.871 8.631 -1.371 738 HA PRO 110 HA PRO 110 -9.226 11.355 3.308 739 HB2 PRO 110 1HB PRO 110 -10.476 12.701 1.308 740 HB3 PRO 110 2HB PRO 110 -9.570 13.511 2.592 741 HG2 PRO 110 1HG PRO 110 -8.721 12.857 -0.203 742 HG3 PRO 110 2HG PRO 110 -8.463 14.346 0.725 743 HD2 PRO 110 1HD PRO 110 -6.538 12.466 0.421 744 HD3 PRO 110 2HD PRO 110 -6.677 13.463 1.884 745 H GLY 111 H GLY 111 -9.109 9.008 2.873 746 HA2 GLY 111 1HA GLY 111 -11.206 7.927 1.595 747 HA3 GLY 111 2HA GLY 111 -10.049 8.096 0.282 748 H SER 112 H SER 112 -7.963 7.657 2.576 749 HA SER 112 HA SER 112 -8.005 4.733 2.313 750 HB2 SER 112 1HB SER 112 -5.707 4.753 2.286 751 HB3 SER 112 2HB SER 112 -6.008 6.364 1.635 752 HG SER 112 HG SER 112 -5.449 5.714 4.342 753 HA PRO 113 HA PRO 113 -6.414 3.212 3.281 754 HB2 PRO 113 1HB PRO 113 -7.322 0.914 4.406 755 HB3 PRO 113 2HB PRO 113 -5.921 1.798 5.023 756 HG2 PRO 113 1HG PRO 113 -8.749 1.807 6.004 757 HG3 PRO 113 2HG PRO 113 -7.242 1.745 6.936 758 HD2 PRO 113 1HD PRO 113 -8.660 4.029 6.610 759 HD3 PRO 113 2HD PRO 113 -6.891 4.016 6.759 760 H PHE 114 H PHE 114 -7.284 1.378 1.930 761 HA PHE 114 HA PHE 114 -10.128 1.835 1.305 762 HB2 PHE 114 1HB PHE 114 -7.775 1.386 -0.523 763 HB3 PHE 114 2HB PHE 114 -9.431 1.130 -1.061 764 HD1 PHE 114 1HD PHE 114 -7.059 3.653 0.213 765 HD2 PHE 114 2HD PHE 114 -10.823 2.942 -1.644 766 HE1 PHE 114 1HE PHE 114 -7.258 6.053 -0.296 767 HE2 PHE 114 2HE PHE 114 -11.027 5.339 -2.156 768 HZ PHE 114 HZ PHE 114 -9.243 6.898 -1.483 769 H LYS 115 H LYS 115 -10.990 0.127 2.419 770 HA LYS 115 HA LYS 115 -9.911 -2.479 2.479 771 HB2 LYS 115 1HB LYS 115 -11.506 -1.699 4.154 772 HB3 LYS 115 2HB LYS 115 -12.752 -1.542 2.922 773 HG2 LYS 115 1HG LYS 115 -11.474 -4.197 3.271 774 HG3 LYS 115 2HG LYS 115 -12.607 -3.647 4.508 775 HD2 LYS 115 1HD LYS 115 -13.293 -3.571 1.584 776 HD3 LYS 115 2HD LYS 115 -13.546 -5.019 2.561 777 HE2 LYS 115 1HE LYS 115 -14.642 -2.321 3.319 778 HE3 LYS 115 2HE LYS 115 -15.531 -3.465 2.315 779 HZ1 LYS 115 1HZ LYS 115 -14.804 -4.998 4.394 780 HZ2 LYS 115 2HZ LYS 115 -16.293 -4.205 4.268 781 HZ3 LYS 115 3HZ LYS 115 -15.036 -3.507 5.160 782 H ALA 116 H ALA 116 -9.802 -3.937 0.915 783 HA ALA 116 HA ALA 116 -11.734 -3.768 -1.304 784 HB1 ALA 116 1HB ALA 116 -10.022 -3.861 -2.710 785 HB2 ALA 116 2HB ALA 116 -8.916 -3.824 -1.336 786 HB3 ALA 116 3HB ALA 116 -9.469 -5.370 -1.982 787 H ASP 117 H ASP 117 -13.201 -5.327 -1.346 788 HA ASP 117 HA ASP 117 -12.943 -7.679 0.282 789 HB2 ASP 117 1HB ASP 117 -15.183 -8.106 -0.217 790 HB3 ASP 117 2HB ASP 117 -15.094 -6.348 -0.293 791 H ILE 118 H ILE 118 -11.769 -9.368 -0.318 792 HA ILE 118 HA ILE 118 -11.437 -9.949 -3.171 793 HB ILE 118 HB ILE 118 -9.929 -11.044 -0.794 794 HG12 ILE 118 1HG1 ILE 118 -9.586 -8.601 -1.368 795 HG13 ILE 118 2HG1 ILE 118 -8.136 -9.599 -1.415 796 HG21 ILE 118 1HG2 ILE 118 -8.340 -11.831 -2.594 797 HG22 ILE 118 2HG2 ILE 118 -9.876 -12.691 -2.488 798 HG23 ILE 118 3HG2 ILE 118 -9.625 -11.488 -3.752 799 HD11 ILE 118 1HD1 ILE 118 -9.486 -9.465 -3.981 800 HD12 ILE 118 2HD1 ILE 118 -8.988 -7.884 -3.377 801 HD13 ILE 118 3HD1 ILE 118 -7.797 -9.170 -3.567 802 H GLU 119 H GLU 119 -11.921 -11.939 -4.061 803 HA GLU 119 HA GLU 119 -13.346 -13.846 -2.332 804 HB2 GLU 119 1HB GLU 119 -14.191 -13.024 -5.116 805 HB3 GLU 119 2HB GLU 119 -14.986 -14.225 -4.108 806 HG2 GLU 119 1HG GLU 119 -15.246 -12.287 -2.419 807 HG3 GLU 119 2HG GLU 119 -14.924 -11.254 -3.810 808 H MET 120 H MET 120 -13.606 -16.014 -3.423 809 HA MET 120 HA MET 120 -11.028 -16.819 -4.454 810 HB2 MET 120 1HB MET 120 -13.509 -18.362 -3.698 811 HB3 MET 120 2HB MET 120 -12.067 -19.126 -4.354 812 HG2 MET 120 1HG MET 120 -10.762 -18.324 -2.468 813 HG3 MET 120 2HG MET 120 -12.183 -17.508 -1.819 814 HE1 MET 120 1HE MET 120 -10.413 -21.190 -2.095 815 HE2 MET 120 2HE MET 120 -9.965 -19.825 -1.073 816 HE3 MET 120 3HE MET 120 -10.739 -21.242 -0.362 817 HA PRO 121 HA PRO 121 -12.232 -16.624 -8.707 818 HB2 PRO 121 1HB PRO 121 -10.137 -18.021 -9.722 819 HB3 PRO 121 2HB PRO 121 -9.996 -16.351 -9.158 820 HG2 PRO 121 1HG PRO 121 -9.268 -18.892 -7.753 821 HG3 PRO 121 2HG PRO 121 -8.373 -17.364 -7.836 822 HD2 PRO 121 1HD PRO 121 -9.865 -18.064 -5.687 823 HD3 PRO 121 2HD PRO 121 -9.660 -16.376 -6.198 824 H PHE 122 H PHE 122 -13.258 -17.904 -10.199 825 HA PHE 122 HA PHE 122 -14.136 -20.489 -9.300 826 HB2 PHE 122 1HB PHE 122 -15.714 -20.402 -11.022 827 HB3 PHE 122 2HB PHE 122 -15.488 -18.706 -10.606 828 HD1 PHE 122 1HD PHE 122 -14.330 -17.198 -12.108 829 HD2 PHE 122 2HD PHE 122 -14.938 -21.287 -13.123 830 HE1 PHE 122 1HE PHE 122 -13.768 -16.697 -14.451 831 HE2 PHE 122 2HE PHE 122 -14.376 -20.793 -15.466 832 HZ PHE 122 HZ PHE 122 -13.789 -18.496 -16.133 833 H ASP 123 H ASP 123 -13.383 -22.429 -9.869 834 HA ASP 123 HA ASP 123 -10.935 -22.804 -11.110 835 HB2 ASP 123 1HB ASP 123 -11.776 -25.216 -11.427 836 HB3 ASP 123 2HB ASP 123 -11.704 -24.584 -9.784 837 HA PRO 124 HA PRO 124 -11.684 -22.394 -15.424 838 HB2 PRO 124 1HB PRO 124 -9.665 -23.940 -16.376 839 HB3 PRO 124 2HB PRO 124 -9.400 -22.343 -15.666 840 HG2 PRO 124 1HG PRO 124 -9.076 -25.047 -14.423 841 HG3 PRO 124 2HG PRO 124 -8.020 -23.628 -14.304 842 HD2 PRO 124 1HD PRO 124 -9.766 -24.312 -12.351 843 HD3 PRO 124 2HD PRO 124 -9.338 -22.625 -12.701 844 H SER 125 H SER 125 -12.575 -23.479 -17.178 845 HA SER 125 HA SER 125 -13.531 -26.193 -16.588 846 HB2 SER 125 1HB SER 125 -15.247 -25.712 -18.349 847 HB3 SER 125 2HB SER 125 -15.324 -24.618 -16.968 848 HG SER 125 HG SER 125 -15.242 -23.863 -19.389 849 H SER 126 H SER 126 -13.228 -27.874 -17.993 850 HA SER 126 HA SER 126 -10.963 -27.776 -19.686 851 HB2 SER 126 1HB SER 126 -11.568 -30.094 -20.283 852 HB3 SER 126 2HB SER 126 -11.631 -29.836 -18.540 853 HG SER 126 HG SER 126 -13.516 -30.837 -19.968 854 H GLY 127 H GLY 127 -11.259 -28.887 -21.991 855 HA2 GLY 127 1HA GLY 127 -13.431 -27.467 -23.397 856 HA3 GLY 127 2HA GLY 127 -11.773 -27.382 -23.973 857 HA PRO 128 HA PRO 128 -14.183 -31.340 -25.350 858 HB2 PRO 128 1HB PRO 128 -15.601 -30.445 -27.485 859 HB3 PRO 128 2HB PRO 128 -16.266 -30.508 -25.849 860 HG2 PRO 128 1HG PRO 128 -15.122 -28.178 -27.340 861 HG3 PRO 128 2HG PRO 128 -16.575 -28.253 -26.325 862 HD2 PRO 128 1HD PRO 128 -14.226 -27.243 -25.434 863 HD3 PRO 128 2HD PRO 128 -15.369 -28.084 -24.368 864 H SER 129 H SER 129 -12.559 -28.711 -26.941 865 HA SER 129 HA SER 129 -11.978 -29.611 -29.435 866 HB2 SER 129 1HB SER 129 -11.116 -27.511 -28.185 867 HB3 SER 129 2HB SER 129 -9.758 -28.532 -27.712 868 HG SER 129 HG SER 129 -9.402 -28.915 -29.960 869 H SER 130 H SER 130 -9.899 -30.322 -26.621 870 HA SER 130 HA SER 130 -8.408 -32.001 -26.229 871 HB2 SER 130 1HB SER 130 -10.459 -33.290 -25.959 872 HB3 SER 130 2HB SER 130 -10.535 -33.581 -27.696 873 HG SER 130 HG SER 130 -9.520 -35.220 -26.141 874 H GLY 131 H GLY 131 -7.668 -30.461 -28.378 875 HA2 GLY 131 1HA GLY 131 -7.074 -32.063 -30.682 876 HA3 GLY 131 2HA GLY 131 -6.464 -30.449 -30.349 Start of MODEL 7 1 H1 GLY 1 H GLY 1 31.594 1.995 -3.772 2 HA2 GLY 1 1HA GLY 1 31.488 1.553 -6.370 3 HA3 GLY 1 2HA GLY 1 31.575 3.206 -5.779 4 H SER 2 H SER 2 32.757 1.393 -8.096 5 HA SER 2 HA SER 2 35.482 2.499 -7.912 6 HB2 SER 2 1HB SER 2 34.514 0.069 -9.437 7 HB3 SER 2 2HB SER 2 36.162 0.695 -9.468 8 HG SER 2 HG SER 2 36.508 -0.353 -7.693 9 H SER 3 H SER 3 36.454 2.719 -10.234 10 HA SER 3 HA SER 3 34.627 4.462 -11.696 11 HB2 SER 3 1HB SER 3 37.617 4.050 -11.928 12 HB3 SER 3 2HB SER 3 36.688 5.191 -12.900 13 HG SER 3 HG SER 3 36.702 5.226 -10.068 14 H GLY 4 H GLY 4 34.869 4.449 -14.143 15 HA2 GLY 4 1HA GLY 4 35.761 2.489 -15.760 16 HA3 GLY 4 2HA GLY 4 34.330 1.753 -15.053 17 H SER 5 H SER 5 34.758 2.346 -17.825 18 HA SER 5 HA SER 5 32.592 4.300 -18.239 19 HB2 SER 5 1HB SER 5 33.647 4.950 -20.357 20 HB3 SER 5 2HB SER 5 34.749 5.217 -19.007 21 HG SER 5 HG SER 5 36.019 4.143 -20.349 22 H SER 6 H SER 6 30.828 3.307 -18.930 23 HA SER 6 HA SER 6 31.100 0.836 -20.495 24 HB2 SER 6 1HB SER 6 29.767 0.486 -18.540 25 HB3 SER 6 2HB SER 6 28.819 1.941 -18.847 26 HG SER 6 HG SER 6 28.886 -0.276 -20.611 27 H GLY 7 H GLY 7 30.573 0.797 -22.584 28 HA2 GLY 7 1HA GLY 7 28.852 1.429 -24.258 29 HA3 GLY 7 2HA GLY 7 29.013 3.070 -23.650 30 H ASP 8 H ASP 8 29.288 2.507 -26.337 31 HA ASP 8 HA ASP 8 32.163 3.006 -26.742 32 HB2 ASP 8 1HB ASP 8 31.587 1.969 -29.112 33 HB3 ASP 8 2HB ASP 8 32.033 0.945 -27.750 34 H VAL 9 H VAL 9 30.178 4.980 -26.307 35 HA VAL 9 HA VAL 9 29.198 6.839 -27.228 36 HB VAL 9 HB VAL 9 31.486 6.950 -29.152 37 HG11 VAL 9 1HG1 VAL 9 30.802 9.192 -27.366 38 HG12 VAL 9 2HG1 VAL 9 31.167 9.183 -29.093 39 HG13 VAL 9 3HG1 VAL 9 29.559 8.728 -28.527 40 HG21 VAL 9 1HG2 VAL 9 32.740 7.966 -27.094 41 HG22 VAL 9 2HG2 VAL 9 31.656 6.924 -26.172 42 HG23 VAL 9 3HG2 VAL 9 32.747 6.223 -27.367 43 H THR 10 H THR 10 28.057 4.598 -28.336 44 HA THR 10 HA THR 10 28.011 4.044 -30.949 45 HB THR 10 HB THR 10 25.531 3.842 -30.854 46 HG1 THR 10 1HG THR 10 25.597 4.620 -28.155 47 HG21 THR 10 1HG2 THR 10 25.682 2.488 -28.520 48 HG22 THR 10 2HG2 THR 10 27.396 2.679 -28.887 49 HG23 THR 10 3HG2 THR 10 26.330 1.886 -30.046 50 H TYR 11 H TYR 11 27.905 5.116 -32.805 51 HA TYR 11 HA TYR 11 27.099 7.923 -32.772 52 HB2 TYR 11 1HB TYR 11 29.281 7.174 -33.801 53 HB3 TYR 11 2HB TYR 11 28.336 6.383 -35.058 54 HD1 TYR 11 2HD TYR 11 26.713 7.867 -36.406 55 HD2 TYR 11 1HD TYR 11 29.879 9.417 -34.022 56 HE1 TYR 11 2HE TYR 11 26.630 9.973 -37.675 57 HE2 TYR 11 1HE TYR 11 29.804 11.527 -35.284 58 HH TYR 11 HH TYR 11 27.433 12.031 -37.881 59 H ASP 12 H ASP 12 24.936 8.095 -32.934 60 HA ASP 12 HA ASP 12 23.684 7.460 -35.417 61 HB2 ASP 12 1HB ASP 12 23.294 5.287 -34.709 62 HB3 ASP 12 2HB ASP 12 23.141 5.756 -33.017 63 H GLY 13 H GLY 13 22.792 9.411 -35.686 64 HA2 GLY 13 1HA GLY 13 21.864 11.059 -33.579 65 HA3 GLY 13 2HA GLY 13 21.551 11.304 -35.290 66 H HIS 14 H HIS 14 20.432 9.693 -32.373 67 HA HIS 14 HA HIS 14 17.898 9.024 -33.673 68 HB2 HIS 14 1HB HIS 14 17.507 7.510 -31.949 69 HB3 HIS 14 2HB HIS 14 19.258 7.437 -32.119 70 HD1 HIS 14 1HD HIS 14 17.022 7.265 -29.540 71 HD2 HIS 14 2HD HIS 14 20.254 9.786 -30.217 72 HE1 HIS 14 1HE HIS 14 17.682 8.134 -27.275 73 HE2 HIS 14 2HE HIS 14 19.584 9.724 -27.719 74 HA PRO 15 HA PRO 15 15.735 12.446 -31.966 75 HB2 PRO 15 1HB PRO 15 13.239 11.391 -31.794 76 HB3 PRO 15 2HB PRO 15 13.987 11.844 -33.330 77 HG2 PRO 15 1HG PRO 15 13.755 9.143 -32.060 78 HG3 PRO 15 2HG PRO 15 13.512 9.607 -33.754 79 HD2 PRO 15 1HD PRO 15 15.796 8.450 -32.873 80 HD3 PRO 15 2HD PRO 15 15.772 9.625 -34.204 81 H VAL 16 H VAL 16 16.098 13.053 -29.922 82 HA VAL 16 HA VAL 16 16.198 11.450 -27.671 83 HB VAL 16 HB VAL 16 15.957 13.498 -26.338 84 HG11 VAL 16 1HG1 VAL 16 18.001 12.854 -27.957 85 HG12 VAL 16 2HG1 VAL 16 17.616 14.459 -28.582 86 HG13 VAL 16 3HG1 VAL 16 18.019 14.248 -26.878 87 HG21 VAL 16 1HG2 VAL 16 14.363 14.859 -27.241 88 HG22 VAL 16 2HG2 VAL 16 15.806 15.641 -27.887 89 HG23 VAL 16 3HG2 VAL 16 14.871 14.541 -28.900 90 HA PRO 17 HA PRO 17 12.058 10.509 -26.544 91 HB2 PRO 17 1HB PRO 17 12.287 10.397 -23.841 92 HB3 PRO 17 2HB PRO 17 12.946 9.156 -24.913 93 HG2 PRO 17 1HG PRO 17 14.342 11.448 -23.587 94 HG3 PRO 17 2HG PRO 17 14.875 9.767 -23.767 95 HD2 PRO 17 1HD PRO 17 15.777 11.760 -25.362 96 HD3 PRO 17 2HD PRO 17 15.583 10.092 -25.937 97 H GLY 18 H GLY 18 10.195 11.286 -25.297 98 HA2 GLY 18 1HA GLY 18 10.225 14.204 -25.147 99 HA3 GLY 18 2HA GLY 18 8.798 13.179 -25.176 100 H SER 19 H SER 19 11.538 14.128 -23.136 101 HA SER 19 HA SER 19 10.061 13.315 -20.752 102 HB2 SER 19 1HB SER 19 12.905 14.032 -21.333 103 HB3 SER 19 2HB SER 19 12.305 14.226 -19.686 104 HG SER 19 HG SER 19 12.540 11.881 -21.229 105 HA PRO 20 HA PRO 20 8.614 17.369 -19.841 106 HB2 PRO 20 1HB PRO 20 8.307 17.128 -17.154 107 HB3 PRO 20 2HB PRO 20 7.217 16.365 -18.318 108 HG2 PRO 20 1HG PRO 20 9.508 15.173 -16.804 109 HG3 PRO 20 2HG PRO 20 7.899 14.496 -17.114 110 HD2 PRO 20 1HD PRO 20 10.085 13.771 -18.540 111 HD3 PRO 20 2HD PRO 20 8.457 13.820 -19.246 112 H TYR 21 H TYR 21 10.999 16.153 -17.478 113 HA TYR 21 HA TYR 21 12.535 17.322 -16.213 114 HB2 TYR 21 1HB TYR 21 13.447 16.825 -18.644 115 HB3 TYR 21 2HB TYR 21 13.434 18.580 -18.771 116 HD1 TYR 21 2HD TYR 21 14.598 15.897 -16.442 117 HD2 TYR 21 1HD TYR 21 15.333 19.731 -18.136 118 HE1 TYR 21 2HE TYR 21 16.761 15.991 -15.277 119 HE2 TYR 21 1HE TYR 21 17.499 19.834 -16.976 120 HH TYR 21 HH TYR 21 18.960 18.745 -15.702 121 H THR 22 H THR 22 10.040 18.728 -16.400 122 HA THR 22 HA THR 22 10.521 21.488 -16.958 123 HB THR 22 HB THR 22 8.339 21.876 -15.838 124 HG1 THR 22 1HG THR 22 8.693 19.964 -14.387 125 HG21 THR 22 1HG2 THR 22 8.829 20.639 -18.249 126 HG22 THR 22 2HG2 THR 22 7.278 21.296 -17.727 127 HG23 THR 22 3HG2 THR 22 7.632 19.584 -17.500 128 H VAL 23 H VAL 23 10.748 23.204 -15.506 129 HA VAL 23 HA VAL 23 12.239 22.572 -13.129 130 HB VAL 23 HB VAL 23 12.247 25.101 -12.842 131 HG11 VAL 23 1HG1 VAL 23 13.645 25.320 -15.078 132 HG12 VAL 23 2HG1 VAL 23 14.220 24.356 -13.716 133 HG13 VAL 23 3HG1 VAL 23 13.442 23.568 -15.089 134 HG21 VAL 23 1HG2 VAL 23 10.254 24.906 -14.831 135 HG22 VAL 23 2HG2 VAL 23 10.921 26.365 -14.098 136 HG23 VAL 23 3HG2 VAL 23 11.644 25.705 -15.566 137 H GLU 24 H GLU 24 9.055 22.472 -13.670 138 HA GLU 24 HA GLU 24 8.104 23.920 -11.362 139 HB2 GLU 24 1HB GLU 24 6.659 21.947 -13.139 140 HB3 GLU 24 2HB GLU 24 5.911 23.009 -11.955 141 HG2 GLU 24 1HG GLU 24 6.649 24.955 -13.228 142 HG3 GLU 24 2HG GLU 24 7.403 23.893 -14.415 143 H ALA 25 H ALA 25 9.855 22.518 -10.163 144 HA ALA 25 HA ALA 25 8.474 20.160 -9.056 145 HB1 ALA 25 1HB ALA 25 11.447 20.602 -9.314 146 HB2 ALA 25 2HB ALA 25 10.674 19.206 -8.561 147 HB3 ALA 25 3HB ALA 25 10.469 19.503 -10.287 148 H SER 26 H SER 26 8.929 23.224 -8.380 149 HA SER 26 HA SER 26 9.727 22.819 -5.579 150 HB2 SER 26 1HB SER 26 9.842 25.180 -7.424 151 HB3 SER 26 2HB SER 26 9.777 25.439 -5.681 152 HG SER 26 HG SER 26 11.590 23.741 -5.776 153 H LEU 27 H LEU 27 7.542 21.882 -5.271 154 HA LEU 27 HA LEU 27 5.688 23.988 -4.467 155 HB2 LEU 27 1HB LEU 27 4.814 21.602 -6.086 156 HB3 LEU 27 2HB LEU 27 3.780 22.885 -5.461 157 HG LEU 27 HG LEU 27 5.923 23.269 -7.550 158 HD11 LEU 27 1HD1 LEU 27 3.070 23.550 -8.232 159 HD12 LEU 27 2HD1 LEU 27 3.647 21.905 -7.970 160 HD13 LEU 27 3HD1 LEU 27 4.413 22.924 -9.188 161 HD21 LEU 27 1HD2 LEU 27 5.555 25.457 -7.386 162 HD22 LEU 27 2HD2 LEU 27 4.700 25.117 -5.881 163 HD23 LEU 27 3HD2 LEU 27 3.805 25.235 -7.397 164 HA PRO 28 HA PRO 28 5.255 21.491 -0.876 165 HB2 PRO 28 1HB PRO 28 2.809 22.306 -0.026 166 HB3 PRO 28 2HB PRO 28 4.256 23.314 0.102 167 HG2 PRO 28 1HG PRO 28 2.076 23.383 -1.948 168 HG3 PRO 28 2HG PRO 28 2.883 24.732 -1.127 169 HD2 PRO 28 1HD PRO 28 3.522 23.966 -3.644 170 HD3 PRO 28 2HD PRO 28 4.716 24.649 -2.521 171 HA PRO 29 HA PRO 29 2.990 17.869 -1.966 172 HB2 PRO 29 1HB PRO 29 2.727 16.743 0.490 173 HB3 PRO 29 2HB PRO 29 4.258 16.776 -0.393 174 HG2 PRO 29 1HG PRO 29 3.303 18.565 1.810 175 HG3 PRO 29 2HG PRO 29 4.902 17.835 1.575 176 HD2 PRO 29 1HD PRO 29 4.368 20.412 0.937 177 HD3 PRO 29 2HD PRO 29 5.543 19.429 0.039 178 H ASP 30 H ASP 30 0.901 17.331 -2.258 179 HA ASP 30 HA ASP 30 -1.103 18.390 -0.387 180 HB2 ASP 30 1HB ASP 30 -0.952 18.779 -3.351 181 HB3 ASP 30 2HB ASP 30 -2.532 18.658 -2.582 182 HA PRO 31 HA PRO 31 -1.885 13.929 -0.851 183 HB2 PRO 31 1HB PRO 31 -3.072 13.678 1.578 184 HB3 PRO 31 2HB PRO 31 -1.318 13.660 1.359 185 HG2 PRO 31 1HG PRO 31 -3.096 15.908 2.224 186 HG3 PRO 31 2HG PRO 31 -1.520 15.416 2.871 187 HD2 PRO 31 1HD PRO 31 -1.808 17.497 1.163 188 HD3 PRO 31 2HD PRO 31 -0.357 16.475 1.187 189 H SER 32 H SER 32 -4.029 16.556 0.069 190 HA SER 32 HA SER 32 -6.480 15.215 -0.075 191 HB2 SER 32 1HB SER 32 -5.693 18.091 -0.497 192 HB3 SER 32 2HB SER 32 -7.366 17.565 -0.680 193 HG SER 32 HG SER 32 -6.837 18.312 1.455 194 H LYS 33 H LYS 33 -4.310 16.227 -2.552 195 HA LYS 33 HA LYS 33 -6.296 16.083 -4.661 196 HB2 LYS 33 1HB LYS 33 -3.302 16.309 -4.967 197 HB3 LYS 33 2HB LYS 33 -4.535 16.722 -6.152 198 HG2 LYS 33 1HG LYS 33 -4.563 18.143 -3.543 199 HG3 LYS 33 2HG LYS 33 -3.317 18.564 -4.720 200 HD2 LYS 33 1HD LYS 33 -4.968 20.021 -5.348 201 HD3 LYS 33 2HD LYS 33 -5.378 18.638 -6.365 202 HE2 LYS 33 1HE LYS 33 -7.432 19.061 -5.475 203 HE3 LYS 33 2HE LYS 33 -6.808 17.969 -4.239 204 HZ1 LYS 33 1HZ LYS 33 -6.002 20.089 -3.105 205 HZ2 LYS 33 2HZ LYS 33 -7.659 19.756 -3.050 206 HZ3 LYS 33 3HZ LYS 33 -7.064 20.909 -4.135 207 H VAL 34 H VAL 34 -3.952 14.038 -3.146 208 HA VAL 34 HA VAL 34 -3.639 12.148 -5.239 209 HB VAL 34 HB VAL 34 -3.290 11.791 -2.259 210 HG11 VAL 34 1HG1 VAL 34 -1.762 10.084 -4.081 211 HG12 VAL 34 2HG1 VAL 34 -2.610 9.680 -2.587 212 HG13 VAL 34 3HG1 VAL 34 -3.501 9.794 -4.106 213 HG21 VAL 34 1HG2 VAL 34 -1.542 12.809 -4.439 214 HG22 VAL 34 2HG2 VAL 34 -1.683 13.341 -2.764 215 HG23 VAL 34 3HG2 VAL 34 -0.805 11.860 -3.148 216 H LYS 35 H LYS 35 -5.487 11.340 -6.089 217 HA LYS 35 HA LYS 35 -7.372 10.037 -4.238 218 HB2 LYS 35 1HB LYS 35 -7.763 11.513 -6.802 219 HB3 LYS 35 2HB LYS 35 -8.862 10.192 -6.425 220 HG2 LYS 35 1HG LYS 35 -10.006 11.938 -5.518 221 HG3 LYS 35 2HG LYS 35 -9.049 11.443 -4.120 222 HD2 LYS 35 1HD LYS 35 -7.574 13.233 -4.342 223 HD3 LYS 35 2HD LYS 35 -8.017 13.511 -6.028 224 HE2 LYS 35 1HE LYS 35 -10.388 13.973 -4.934 225 HE3 LYS 35 2HE LYS 35 -9.391 14.352 -3.530 226 HZ1 LYS 35 1HZ LYS 35 -9.962 16.016 -5.638 227 HZ2 LYS 35 2HZ LYS 35 -8.354 15.555 -5.889 228 HZ3 LYS 35 3HZ LYS 35 -8.808 16.279 -4.429 229 H ALA 36 H ALA 36 -7.667 7.899 -4.394 230 HA ALA 36 HA ALA 36 -6.337 6.499 -6.614 231 HB1 ALA 36 1HB ALA 36 -6.752 5.834 -3.744 232 HB2 ALA 36 2HB ALA 36 -6.652 4.516 -4.911 233 HB3 ALA 36 3HB ALA 36 -5.315 5.654 -4.750 234 H HIS 37 H HIS 37 -7.625 5.694 -8.123 235 HA HIS 37 HA HIS 37 -10.226 4.586 -7.332 236 HB2 HIS 37 1HB HIS 37 -11.233 5.550 -9.396 237 HB3 HIS 37 2HB HIS 37 -10.728 6.773 -8.233 238 HD1 HIS 37 1HD HIS 37 -9.711 5.279 -11.543 239 HD2 HIS 37 2HD HIS 37 -8.858 8.571 -9.156 240 HE1 HIS 37 1HE HIS 37 -8.286 6.788 -12.963 241 HE2 HIS 37 2HE HIS 37 -7.712 8.733 -11.469 242 H GLY 38 H GLY 38 -10.729 2.678 -8.266 243 HA2 GLY 38 1HA GLY 38 -10.224 1.665 -10.711 244 HA3 GLY 38 2HA GLY 38 -8.691 1.413 -9.890 245 HA PRO 39 HA PRO 39 -11.575 -2.200 -9.120 246 HB2 PRO 39 1HB PRO 39 -9.914 -4.102 -10.116 247 HB3 PRO 39 2HB PRO 39 -11.082 -3.229 -11.114 248 HG2 PRO 39 1HG PRO 39 -8.145 -2.755 -10.784 249 HG3 PRO 39 2HG PRO 39 -9.121 -2.740 -12.264 250 HD2 PRO 39 1HD PRO 39 -8.366 -0.471 -10.994 251 HD3 PRO 39 2HD PRO 39 -9.899 -0.604 -11.880 252 H GLY 40 H GLY 40 -8.012 -2.153 -8.887 253 HA2 GLY 40 1HA GLY 40 -7.603 -4.007 -6.914 254 HA3 GLY 40 2HA GLY 40 -6.635 -2.550 -7.085 255 H LEU 41 H LEU 41 -9.192 -0.964 -6.588 256 HA LEU 41 HA LEU 41 -8.882 -0.880 -3.706 257 HB2 LEU 41 1HB LEU 41 -10.612 0.833 -5.479 258 HB3 LEU 41 2HB LEU 41 -10.171 1.155 -3.804 259 HG LEU 41 HG LEU 41 -8.231 1.105 -6.113 260 HD11 LEU 41 1HD1 LEU 41 -10.108 3.095 -5.351 261 HD12 LEU 41 2HD1 LEU 41 -8.859 3.173 -6.593 262 HD13 LEU 41 3HD1 LEU 41 -8.492 3.670 -4.942 263 HD21 LEU 41 1HD2 LEU 41 -7.718 2.353 -3.453 264 HD22 LEU 41 2HD2 LEU 41 -6.578 1.707 -4.634 265 HD23 LEU 41 3HD2 LEU 41 -7.535 0.608 -3.640 266 H GLU 42 H GLU 42 -11.429 -1.519 -6.077 267 HA GLU 42 HA GLU 42 -13.489 -1.905 -4.152 268 HB2 GLU 42 1HB GLU 42 -13.295 -2.841 -7.020 269 HB3 GLU 42 2HB GLU 42 -14.752 -2.894 -6.038 270 HG2 GLU 42 1HG GLU 42 -14.878 -0.527 -5.943 271 HG3 GLU 42 2HG GLU 42 -13.271 -0.352 -6.646 272 H GLY 43 H GLY 43 -11.274 -4.070 -5.855 273 HA2 GLY 43 1HA GLY 43 -10.924 -5.960 -3.949 274 HA3 GLY 43 2HA GLY 43 -12.446 -6.438 -4.686 275 H GLY 44 H GLY 44 -11.396 -8.408 -5.322 276 HA2 GLY 44 1HA GLY 44 -10.573 -8.456 -7.984 277 HA3 GLY 44 2HA GLY 44 -9.117 -8.462 -6.999 278 H LEU 45 H LEU 45 -8.379 -10.494 -7.244 279 HA LEU 45 HA LEU 45 -10.075 -12.649 -6.219 280 HB2 LEU 45 1HB LEU 45 -8.561 -12.707 -8.823 281 HB3 LEU 45 2HB LEU 45 -9.220 -14.139 -8.035 282 HG LEU 45 HG LEU 45 -10.957 -11.827 -8.857 283 HD11 LEU 45 1HD1 LEU 45 -10.060 -14.191 -10.485 284 HD12 LEU 45 2HD1 LEU 45 -9.933 -12.479 -10.888 285 HD13 LEU 45 3HD1 LEU 45 -11.513 -13.261 -10.851 286 HD21 LEU 45 1HD2 LEU 45 -12.730 -13.201 -8.417 287 HD22 LEU 45 2HD2 LEU 45 -11.582 -13.795 -7.217 288 HD23 LEU 45 3HD2 LEU 45 -11.811 -14.674 -8.729 289 H VAL 46 H VAL 46 -8.954 -14.375 -5.277 290 HA VAL 46 HA VAL 46 -6.542 -13.728 -3.993 291 HB VAL 46 HB VAL 46 -7.718 -16.482 -4.394 292 HG11 VAL 46 1HG1 VAL 46 -6.534 -16.641 -2.026 293 HG12 VAL 46 2HG1 VAL 46 -5.666 -16.967 -3.527 294 HG13 VAL 46 3HG1 VAL 46 -5.506 -15.398 -2.737 295 HG21 VAL 46 1HG2 VAL 46 -8.169 -14.500 -2.164 296 HG22 VAL 46 2HG2 VAL 46 -9.337 -14.925 -3.415 297 HG23 VAL 46 3HG2 VAL 46 -8.818 -16.137 -2.244 298 H GLY 47 H GLY 47 -4.430 -14.294 -4.350 299 HA2 GLY 47 1HA GLY 47 -2.560 -14.903 -5.533 300 HA3 GLY 47 2HA GLY 47 -3.533 -16.198 -6.214 301 H LYS 48 H LYS 48 -4.993 -13.252 -6.809 302 HA LYS 48 HA LYS 48 -3.868 -13.198 -9.528 303 HB2 LYS 48 1HB LYS 48 -6.589 -12.510 -8.448 304 HB3 LYS 48 2HB LYS 48 -6.052 -11.906 -10.010 305 HG2 LYS 48 1HG LYS 48 -5.837 -14.821 -9.469 306 HG3 LYS 48 2HG LYS 48 -7.428 -14.133 -9.800 307 HD2 LYS 48 1HD LYS 48 -6.805 -13.431 -11.943 308 HD3 LYS 48 2HD LYS 48 -5.082 -13.569 -11.585 309 HE2 LYS 48 1HE LYS 48 -6.907 -15.956 -11.593 310 HE3 LYS 48 2HE LYS 48 -6.132 -15.369 -13.065 311 HZ1 LYS 48 1HZ LYS 48 -3.997 -15.754 -12.128 312 HZ2 LYS 48 2HZ LYS 48 -4.903 -17.164 -11.898 313 HZ3 LYS 48 3HZ LYS 48 -4.646 -16.104 -10.605 314 HA PRO 49 HA PRO 49 -2.210 -9.185 -8.846 315 HB2 PRO 49 1HB PRO 49 -2.291 -8.201 -11.375 316 HB3 PRO 49 2HB PRO 49 -1.136 -9.436 -10.861 317 HG2 PRO 49 1HG PRO 49 -3.716 -9.756 -12.346 318 HG3 PRO 49 2HG PRO 49 -2.154 -10.545 -12.633 319 HD2 PRO 49 1HD PRO 49 -4.189 -11.771 -11.334 320 HD3 PRO 49 2HD PRO 49 -2.484 -12.091 -10.956 321 H ALA 50 H ALA 50 -3.066 -7.367 -8.061 322 HA ALA 50 HA ALA 50 -5.483 -6.264 -9.310 323 HB1 ALA 50 1HB ALA 50 -5.781 -5.757 -6.581 324 HB2 ALA 50 2HB ALA 50 -6.731 -6.865 -7.573 325 HB3 ALA 50 3HB ALA 50 -5.321 -7.456 -6.694 326 H GLU 51 H GLU 51 -5.067 -4.248 -9.904 327 HA GLU 51 HA GLU 51 -3.444 -2.556 -8.132 328 HB2 GLU 51 1HB GLU 51 -2.573 -1.483 -10.302 329 HB3 GLU 51 2HB GLU 51 -1.891 -3.028 -9.814 330 HG2 GLU 51 1HG GLU 51 -2.249 -3.422 -12.026 331 HG3 GLU 51 2HG GLU 51 -3.777 -3.993 -11.358 332 H PHE 52 H PHE 52 -3.641 -0.176 -8.869 333 HA PHE 52 HA PHE 52 -6.273 0.440 -9.968 334 HB2 PHE 52 1HB PHE 52 -6.554 2.110 -8.013 335 HB3 PHE 52 2HB PHE 52 -6.907 0.411 -7.716 336 HD1 PHE 52 1HD PHE 52 -4.830 -0.990 -6.862 337 HD2 PHE 52 2HD PHE 52 -5.254 3.229 -6.492 338 HE1 PHE 52 1HE PHE 52 -3.230 -0.997 -4.993 339 HE2 PHE 52 2HE PHE 52 -3.654 3.229 -4.623 340 HZ PHE 52 HZ PHE 52 -2.639 1.114 -3.872 341 H THR 53 H THR 53 -6.524 2.946 -10.026 342 HA THR 53 HA THR 53 -3.993 4.022 -11.069 343 HB THR 53 HB THR 53 -6.776 5.032 -11.672 344 HG1 THR 53 1HG THR 53 -6.802 3.698 -13.390 345 HG21 THR 53 1HG2 THR 53 -4.903 5.523 -13.742 346 HG22 THR 53 2HG2 THR 53 -4.158 6.021 -12.223 347 HG23 THR 53 3HG2 THR 53 -5.715 6.695 -12.705 348 H ILE 54 H ILE 54 -3.030 5.611 -9.996 349 HA ILE 54 HA ILE 54 -4.588 7.094 -7.989 350 HB ILE 54 HB ILE 54 -1.601 6.677 -8.150 351 HG12 ILE 54 1HG1 ILE 54 -3.630 5.569 -6.197 352 HG13 ILE 54 2HG1 ILE 54 -2.894 4.659 -7.512 353 HG21 ILE 54 1HG2 ILE 54 -2.787 7.675 -5.662 354 HG22 ILE 54 2HG2 ILE 54 -1.310 8.162 -6.493 355 HG23 ILE 54 3HG2 ILE 54 -2.869 8.799 -7.019 356 HD11 ILE 54 1HD1 ILE 54 -1.972 4.510 -5.065 357 HD12 ILE 54 2HD1 ILE 54 -0.882 4.495 -6.452 358 HD13 ILE 54 3HD1 ILE 54 -1.119 5.981 -5.532 359 H ASP 55 H ASP 55 -4.713 9.274 -8.048 360 HA ASP 55 HA ASP 55 -3.434 10.611 -10.334 361 HB2 ASP 55 1HB ASP 55 -6.011 10.545 -10.016 362 HB3 ASP 55 2HB ASP 55 -5.730 11.760 -8.773 363 H THR 56 H THR 56 -1.608 11.579 -9.735 364 HA THR 56 HA THR 56 -1.576 13.043 -7.176 365 HB THR 56 HB THR 56 0.943 12.870 -7.369 366 HG1 THR 56 1HG THR 56 1.797 11.643 -8.921 367 HG21 THR 56 1HG2 THR 56 -0.732 11.302 -6.077 368 HG22 THR 56 2HG2 THR 56 0.982 10.898 -6.183 369 HG23 THR 56 3HG2 THR 56 -0.179 10.108 -7.250 370 H LYS 57 H LYS 57 -2.429 13.878 -9.963 371 HA LYS 57 HA LYS 57 -0.501 15.722 -10.936 372 HB2 LYS 57 1HB LYS 57 -3.492 15.760 -11.367 373 HB3 LYS 57 2HB LYS 57 -2.279 16.555 -12.361 374 HG2 LYS 57 1HG LYS 57 -2.161 13.599 -11.989 375 HG3 LYS 57 2HG LYS 57 -3.327 14.295 -13.116 376 HD2 LYS 57 1HD LYS 57 -1.300 15.595 -14.051 377 HD3 LYS 57 2HD LYS 57 -0.331 14.394 -13.194 378 HE2 LYS 57 1HE LYS 57 -1.621 12.622 -14.403 379 HE3 LYS 57 2HE LYS 57 -2.371 13.899 -15.358 380 HZ1 LYS 57 1HZ LYS 57 -0.407 14.376 -16.426 381 HZ2 LYS 57 2HZ LYS 57 -0.281 12.699 -16.250 382 HZ3 LYS 57 3HZ LYS 57 0.562 13.725 -15.202 383 H GLY 58 H GLY 58 0.048 17.651 -10.164 384 HA2 GLY 58 1HA GLY 58 -0.281 19.792 -9.290 385 HA3 GLY 58 2HA GLY 58 -1.927 19.342 -8.871 386 H ALA 59 H ALA 59 -0.927 16.866 -7.525 387 HA ALA 59 HA ALA 59 -1.023 17.543 -4.921 388 HB1 ALA 59 1HB ALA 59 0.973 15.544 -5.040 389 HB2 ALA 59 2HB ALA 59 -0.754 15.351 -4.735 390 HB3 ALA 59 3HB ALA 59 -0.135 15.269 -6.385 391 H GLY 60 H GLY 60 1.957 17.477 -6.864 392 HA2 GLY 60 1HA GLY 60 3.486 19.394 -6.464 393 HA3 GLY 60 2HA GLY 60 3.234 19.102 -4.750 394 H THR 61 H THR 61 5.020 18.305 -3.881 395 HA THR 61 HA THR 61 6.316 16.023 -5.188 396 HB THR 61 HB THR 61 7.935 18.265 -3.979 397 HG1 THR 61 1HG THR 61 6.956 17.899 -6.589 398 HG21 THR 61 1HG2 THR 61 8.753 16.044 -5.852 399 HG22 THR 61 2HG2 THR 61 8.923 15.968 -4.098 400 HG23 THR 61 3HG2 THR 61 9.807 17.185 -5.017 401 H GLY 62 H GLY 62 6.837 14.420 -3.818 402 HA2 GLY 62 1HA GLY 62 7.759 14.614 -1.222 403 HA3 GLY 62 2HA GLY 62 6.006 14.574 -1.095 404 H GLY 63 H GLY 63 6.697 12.577 0.161 405 HA2 GLY 63 1HA GLY 63 7.039 10.297 -1.683 406 HA3 GLY 63 2HA GLY 63 7.553 10.299 -0.003 407 H LEU 64 H LEU 64 5.914 8.318 -1.176 408 HA LEU 64 HA LEU 64 3.432 8.740 0.351 409 HB2 LEU 64 1HB LEU 64 2.941 8.858 -2.024 410 HB3 LEU 64 2HB LEU 64 3.746 7.311 -2.285 411 HG LEU 64 HG LEU 64 1.972 6.308 -0.759 412 HD11 LEU 64 1HD1 LEU 64 0.482 7.634 0.203 413 HD12 LEU 64 2HD1 LEU 64 -0.044 8.217 -1.376 414 HD13 LEU 64 3HD1 LEU 64 1.265 9.037 -0.525 415 HD21 LEU 64 1HD2 LEU 64 1.722 7.244 -3.536 416 HD22 LEU 64 2HD2 LEU 64 0.209 6.781 -2.756 417 HD23 LEU 64 3HD2 LEU 64 1.538 5.626 -2.858 418 H GLY 65 H GLY 65 2.779 7.094 1.656 419 HA2 GLY 65 1HA GLY 65 4.550 4.732 1.739 420 HA3 GLY 65 2HA GLY 65 3.773 5.434 3.150 421 H LEU 66 H LEU 66 3.599 3.025 0.837 422 HA LEU 66 HA LEU 66 0.718 2.629 1.278 423 HB2 LEU 66 1HB LEU 66 1.781 2.768 -1.078 424 HB3 LEU 66 2HB LEU 66 2.345 1.133 -0.742 425 HG LEU 66 HG LEU 66 -0.149 0.620 -0.279 426 HD11 LEU 66 1HD1 LEU 66 -1.404 2.196 -2.050 427 HD12 LEU 66 2HD1 LEU 66 -0.248 3.352 -1.389 428 HD13 LEU 66 3HD1 LEU 66 -1.371 2.517 -0.316 429 HD21 LEU 66 1HD2 LEU 66 -0.529 0.261 -2.721 430 HD22 LEU 66 2HD2 LEU 66 1.010 -0.362 -2.123 431 HD23 LEU 66 3HD2 LEU 66 0.962 1.151 -3.029 432 H THR 67 H THR 67 0.114 1.094 2.643 433 HA THR 67 HA THR 67 1.787 -1.288 2.971 434 HB THR 67 HB THR 67 1.254 -1.141 5.491 435 HG1 THR 67 1HG THR 67 1.004 1.608 4.768 436 HG21 THR 67 1HG2 THR 67 3.166 1.018 4.868 437 HG22 THR 67 2HG2 THR 67 3.460 -0.522 4.059 438 HG23 THR 67 3HG2 THR 67 3.383 -0.451 5.820 439 H VAL 68 H VAL 68 0.639 -3.122 3.053 440 HA VAL 68 HA VAL 68 -2.263 -2.933 2.969 441 HB VAL 68 HB VAL 68 -0.335 -5.180 2.423 442 HG11 VAL 68 1HG1 VAL 68 -1.940 -6.552 3.205 443 HG12 VAL 68 2HG1 VAL 68 -3.192 -5.312 3.112 444 HG13 VAL 68 3HG1 VAL 68 -2.720 -6.201 1.663 445 HG21 VAL 68 1HG2 VAL 68 -2.291 -4.669 0.395 446 HG22 VAL 68 2HG2 VAL 68 -1.496 -3.161 0.844 447 HG23 VAL 68 3HG2 VAL 68 -0.535 -4.537 0.305 448 H GLU 69 H GLU 69 -3.213 -2.815 4.910 449 HA GLU 69 HA GLU 69 -2.132 -4.193 7.208 450 HB2 GLU 69 1HB GLU 69 -4.301 -2.223 6.715 451 HB3 GLU 69 2HB GLU 69 -4.466 -3.259 8.125 452 HG2 GLU 69 1HG GLU 69 -1.924 -1.772 7.631 453 HG3 GLU 69 2HG GLU 69 -3.310 -0.965 8.362 454 H GLY 70 H GLY 70 -2.747 -6.039 5.273 455 HA2 GLY 70 1HA GLY 70 -5.371 -7.153 5.828 456 HA3 GLY 70 2HA GLY 70 -4.174 -7.800 4.716 457 HA PRO 71 HA PRO 71 -4.350 -10.219 8.786 458 HB2 PRO 71 1HB PRO 71 -5.435 -12.500 7.793 459 HB3 PRO 71 2HB PRO 71 -6.410 -11.173 8.436 460 HG2 PRO 71 1HG PRO 71 -5.763 -11.842 5.591 461 HG3 PRO 71 2HG PRO 71 -7.309 -11.337 6.298 462 HD2 PRO 71 1HD PRO 71 -5.692 -9.627 4.958 463 HD3 PRO 71 2HD PRO 71 -6.719 -9.109 6.311 464 H CYS 72 H CYS 72 -3.269 -10.701 5.537 465 HA CYS 72 HA CYS 72 -1.172 -12.521 6.522 466 HB2 CYS 72 1HB CYS 72 -1.194 -13.151 3.920 467 HB3 CYS 72 2HB CYS 72 -2.204 -13.977 5.100 468 HG CYS 72 HG CYS 72 -3.088 -11.886 2.612 469 H GLU 73 H GLU 73 0.638 -12.564 4.648 470 HA GLU 73 HA GLU 73 1.452 -9.758 4.371 471 HB2 GLU 73 1HB GLU 73 3.043 -11.052 5.604 472 HB3 GLU 73 2HB GLU 73 3.033 -12.328 4.395 473 HG2 GLU 73 1HG GLU 73 4.084 -10.831 2.789 474 HG3 GLU 73 2HG GLU 73 4.074 -9.534 3.982 475 H ALA 74 H ALA 74 0.337 -9.242 2.481 476 HA ALA 74 HA ALA 74 0.826 -10.826 0.086 477 HB1 ALA 74 1HB ALA 74 -1.378 -9.510 0.913 478 HB2 ALA 74 2HB ALA 74 -0.662 -8.296 -0.148 479 HB3 ALA 74 3HB ALA 74 -1.039 -9.901 -0.774 480 H LYS 75 H LYS 75 2.013 -10.170 -1.654 481 HA LYS 75 HA LYS 75 4.065 -8.243 -1.195 482 HB2 LYS 75 1HB LYS 75 4.046 -10.417 -2.676 483 HB3 LYS 75 2HB LYS 75 3.461 -9.321 -3.921 484 HG2 LYS 75 1HG LYS 75 5.436 -8.119 -3.976 485 HG3 LYS 75 2HG LYS 75 5.926 -8.657 -2.368 486 HD2 LYS 75 1HD LYS 75 6.411 -10.857 -3.183 487 HD3 LYS 75 2HD LYS 75 5.716 -10.480 -4.761 488 HE2 LYS 75 1HE LYS 75 8.045 -8.949 -3.641 489 HE3 LYS 75 2HE LYS 75 8.265 -10.446 -4.546 490 HZ1 LYS 75 1HZ LYS 75 8.460 -8.734 -6.107 491 HZ2 LYS 75 2HZ LYS 75 7.130 -7.886 -5.498 492 HZ3 LYS 75 3HZ LYS 75 6.896 -9.335 -6.339 493 H ILE 76 H ILE 76 4.486 -6.332 -2.398 494 HA ILE 76 HA ILE 76 2.197 -5.194 -3.839 495 HB ILE 76 HB ILE 76 3.760 -3.630 -1.787 496 HG12 ILE 76 1HG1 ILE 76 0.902 -4.490 -1.447 497 HG13 ILE 76 2HG1 ILE 76 2.215 -5.552 -0.951 498 HG21 ILE 76 1HG2 ILE 76 2.007 -2.890 -3.899 499 HG22 ILE 76 2HG2 ILE 76 1.216 -2.531 -2.365 500 HG23 ILE 76 3HG2 ILE 76 2.807 -1.856 -2.715 501 HD11 ILE 76 1HD1 ILE 76 3.041 -3.443 0.340 502 HD12 ILE 76 2HD1 ILE 76 1.358 -2.939 0.182 503 HD13 ILE 76 3HD1 ILE 76 1.754 -4.451 1.000 504 H GLU 77 H GLU 77 2.823 -4.496 -5.764 505 HA GLU 77 HA GLU 77 5.640 -3.728 -6.136 506 HB2 GLU 77 1HB GLU 77 4.980 -5.644 -7.484 507 HB3 GLU 77 2HB GLU 77 3.621 -4.744 -8.142 508 HG2 GLU 77 1HG GLU 77 5.095 -3.248 -9.297 509 HG3 GLU 77 2HG GLU 77 6.504 -3.975 -8.526 510 H CYS 78 H CYS 78 5.732 -1.573 -5.854 511 HA CYS 78 HA CYS 78 3.665 0.128 -7.019 512 HB2 CYS 78 1HB CYS 78 4.755 1.950 -5.771 513 HB3 CYS 78 2HB CYS 78 4.337 0.603 -4.719 514 HG CYS 78 HG CYS 78 6.973 2.027 -4.388 515 H SER 79 H SER 79 3.906 0.927 -8.988 516 HA SER 79 HA SER 79 6.594 1.650 -9.917 517 HB2 SER 79 1HB SER 79 6.217 -0.487 -10.944 518 HB3 SER 79 2HB SER 79 4.582 -0.032 -11.424 519 HG SER 79 HG SER 79 6.288 0.098 -13.084 520 H ASP 80 H ASP 80 6.697 3.548 -10.972 521 HA ASP 80 HA ASP 80 4.318 5.172 -11.085 522 HB2 ASP 80 1HB ASP 80 6.051 6.842 -12.101 523 HB3 ASP 80 2HB ASP 80 6.147 6.423 -10.393 524 H ASN 81 H ASN 81 3.465 6.176 -12.943 525 HA ASN 81 HA ASN 81 3.571 4.515 -15.298 526 HB2 ASN 81 1HB ASN 81 1.984 6.989 -14.601 527 HB3 ASN 81 2HB ASN 81 1.857 6.172 -16.156 528 HD21 ASN 81 1HD2 ASN 81 1.741 5.458 -12.684 529 HD22 ASN 81 2HD2 ASN 81 0.444 4.322 -12.788 530 H GLY 82 H GLY 82 4.553 7.783 -14.385 531 HA2 GLY 82 1HA GLY 82 6.595 8.661 -15.379 532 HA3 GLY 82 2HA GLY 82 6.113 7.903 -16.889 533 H ASP 83 H ASP 83 3.272 8.883 -16.167 534 HA ASP 83 HA ASP 83 3.610 11.494 -17.443 535 HB2 ASP 83 1HB ASP 83 1.082 11.296 -17.739 536 HB3 ASP 83 2HB ASP 83 2.073 10.148 -18.635 537 H GLY 84 H GLY 84 3.095 10.176 -14.395 538 HA2 GLY 84 1HA GLY 84 3.209 11.952 -12.624 539 HA3 GLY 84 2HA GLY 84 1.837 12.677 -13.448 540 H THR 85 H THR 85 1.821 9.272 -13.414 541 HA THR 85 HA THR 85 -0.017 9.261 -11.111 542 HB THR 85 HB THR 85 -1.264 7.420 -12.306 543 HG1 THR 85 1HG THR 85 -0.746 6.935 -14.332 544 HG21 THR 85 1HG2 THR 85 -1.973 9.847 -12.199 545 HG22 THR 85 2HG2 THR 85 -2.637 8.914 -13.541 546 HG23 THR 85 3HG2 THR 85 -1.297 10.027 -13.817 547 H CYS 86 H CYS 86 -0.498 6.734 -10.650 548 HA CYS 86 HA CYS 86 2.016 5.240 -10.713 549 HB2 CYS 86 1HB CYS 86 0.493 5.981 -8.213 550 HB3 CYS 86 2HB CYS 86 1.666 4.671 -8.265 551 HG CYS 86 HG CYS 86 3.316 7.065 -9.522 552 H SER 87 H SER 87 1.785 3.021 -10.662 553 HA SER 87 HA SER 87 -0.965 1.982 -10.539 554 HB2 SER 87 1HB SER 87 -0.522 2.042 -12.869 555 HB3 SER 87 2HB SER 87 1.128 1.460 -12.649 556 HG SER 87 HG SER 87 -0.759 -0.037 -13.318 557 H VAL 88 H VAL 88 -0.530 1.264 -8.417 558 HA VAL 88 HA VAL 88 1.634 -0.611 -7.970 559 HB VAL 88 HB VAL 88 -0.586 0.201 -6.089 560 HG11 VAL 88 1HG1 VAL 88 0.401 -1.025 -4.474 561 HG12 VAL 88 2HG1 VAL 88 1.042 -1.937 -5.843 562 HG13 VAL 88 3HG1 VAL 88 2.028 -0.695 -5.070 563 HG21 VAL 88 1HG2 VAL 88 1.535 1.480 -5.116 564 HG22 VAL 88 2HG2 VAL 88 1.987 1.481 -6.821 565 HG23 VAL 88 3HG2 VAL 88 0.463 2.208 -6.312 566 H SER 89 H SER 89 1.470 -2.785 -7.790 567 HA SER 89 HA SER 89 -1.209 -3.977 -8.067 568 HB2 SER 89 1HB SER 89 -0.090 -5.784 -9.436 569 HB3 SER 89 2HB SER 89 -0.171 -4.203 -10.215 570 HG SER 89 HG SER 89 1.910 -4.321 -10.373 571 H TYR 90 H TYR 90 -1.700 -5.479 -6.602 572 HA TYR 90 HA TYR 90 0.497 -6.671 -5.041 573 HB2 TYR 90 1HB TYR 90 -0.834 -6.559 -3.056 574 HB3 TYR 90 2HB TYR 90 -0.864 -4.961 -3.792 575 HD1 TYR 90 1HD TYR 90 -2.904 -4.092 -4.798 576 HD2 TYR 90 2HD TYR 90 -2.828 -7.938 -2.980 577 HE1 TYR 90 1HE TYR 90 -5.364 -4.126 -4.781 578 HE2 TYR 90 2HE TYR 90 -5.287 -7.983 -2.959 579 HH TYR 90 HH TYR 90 -7.179 -5.268 -3.463 580 H LEU 91 H LEU 91 0.217 -8.814 -4.327 581 HA LEU 91 HA LEU 91 -1.950 -10.294 -5.667 582 HB2 LEU 91 1HB LEU 91 0.976 -10.755 -5.627 583 HB3 LEU 91 2HB LEU 91 -0.061 -12.176 -5.520 584 HG LEU 91 HG LEU 91 -0.533 -10.201 -7.706 585 HD11 LEU 91 1HD1 LEU 91 1.863 -10.550 -7.791 586 HD12 LEU 91 2HD1 LEU 91 1.077 -11.395 -9.123 587 HD13 LEU 91 3HD1 LEU 91 1.634 -12.297 -7.714 588 HD21 LEU 91 1HD2 LEU 91 -1.859 -12.392 -7.042 589 HD22 LEU 91 2HD2 LEU 91 -0.595 -13.156 -8.006 590 HD23 LEU 91 3HD2 LEU 91 -1.628 -11.921 -8.726 591 HA PRO 92 HA PRO 92 -2.592 -11.294 -1.311 592 HB2 PRO 92 1HB PRO 92 -5.103 -12.259 -1.683 593 HB3 PRO 92 2HB PRO 92 -4.745 -10.532 -1.562 594 HG2 PRO 92 1HG PRO 92 -5.193 -12.207 -4.002 595 HG3 PRO 92 2HG PRO 92 -5.802 -10.583 -3.633 596 HD2 PRO 92 1HD PRO 92 -3.675 -11.008 -5.254 597 HD3 PRO 92 2HD PRO 92 -3.819 -9.568 -4.225 598 H THR 93 H THR 93 -3.400 -13.346 -0.239 599 HA THR 93 HA THR 93 -2.599 -15.703 -1.819 600 HB THR 93 HB THR 93 -0.929 -15.038 -0.064 601 HG1 THR 93 1HG THR 93 -1.002 -17.278 0.899 602 HG21 THR 93 1HG2 THR 93 -2.897 -16.081 1.949 603 HG22 THR 93 2HG2 THR 93 -2.813 -14.362 1.562 604 HG23 THR 93 3HG2 THR 93 -1.401 -15.188 2.220 605 H LYS 94 H LYS 94 -4.685 -14.413 0.700 606 HA LYS 94 HA LYS 94 -6.532 -16.643 0.227 607 HB2 LYS 94 1HB LYS 94 -7.006 -16.842 2.611 608 HB3 LYS 94 2HB LYS 94 -5.303 -17.147 2.295 609 HG2 LYS 94 1HG LYS 94 -5.116 -14.565 2.839 610 HG3 LYS 94 2HG LYS 94 -6.598 -14.902 3.736 611 HD2 LYS 94 1HD LYS 94 -4.224 -16.690 4.061 612 HD3 LYS 94 2HD LYS 94 -4.278 -15.141 4.907 613 HE2 LYS 94 1HE LYS 94 -5.222 -16.555 6.464 614 HE3 LYS 94 2HE LYS 94 -6.650 -15.938 5.634 615 HZ1 LYS 94 1HZ LYS 94 -5.920 -18.138 4.190 616 HZ2 LYS 94 2HZ LYS 94 -7.186 -18.055 5.309 617 HZ3 LYS 94 3HZ LYS 94 -5.664 -18.613 5.794 618 HA PRO 95 HA PRO 95 -9.616 -13.529 -0.052 619 HB2 PRO 95 1HB PRO 95 -11.801 -14.898 0.797 620 HB3 PRO 95 2HB PRO 95 -11.041 -15.181 -0.773 621 HG2 PRO 95 1HG PRO 95 -10.753 -16.723 1.777 622 HG3 PRO 95 2HG PRO 95 -10.940 -17.326 0.120 623 HD2 PRO 95 1HD PRO 95 -8.540 -17.219 1.371 624 HD3 PRO 95 2HD PRO 95 -8.714 -17.000 -0.383 625 H GLY 96 H GLY 96 -10.332 -11.882 1.179 626 HA2 GLY 96 1HA GLY 96 -11.479 -12.047 3.709 627 HA3 GLY 96 2HA GLY 96 -9.755 -11.804 3.953 628 H GLU 97 H GLU 97 -9.199 -9.761 4.244 629 HA GLU 97 HA GLU 97 -10.408 -7.683 2.597 630 HB2 GLU 97 1HB GLU 97 -10.584 -7.794 5.598 631 HB3 GLU 97 2HB GLU 97 -10.642 -6.263 4.736 632 HG2 GLU 97 1HG GLU 97 -12.618 -6.947 3.550 633 HG3 GLU 97 2HG GLU 97 -12.524 -8.561 4.254 634 H TYR 98 H TYR 98 -8.915 -6.290 1.918 635 HA TYR 98 HA TYR 98 -6.387 -6.115 3.424 636 HB2 TYR 98 1HB TYR 98 -6.800 -5.997 0.430 637 HB3 TYR 98 2HB TYR 98 -5.266 -5.714 1.244 638 HD1 TYR 98 2HD TYR 98 -4.066 -7.568 2.311 639 HD2 TYR 98 1HD TYR 98 -7.685 -8.224 0.172 640 HE1 TYR 98 2HE TYR 98 -3.576 -9.977 2.234 641 HE2 TYR 98 1HE TYR 98 -7.206 -10.635 0.090 642 HH TYR 98 HH TYR 98 -5.498 -12.232 1.868 643 H PHE 99 H PHE 99 -6.296 -4.207 4.401 644 HA PHE 99 HA PHE 99 -7.597 -1.884 3.218 645 HB2 PHE 99 1HB PHE 99 -6.284 -2.339 5.900 646 HB3 PHE 99 2HB PHE 99 -6.934 -0.784 5.391 647 HD1 PHE 99 2HD PHE 99 -7.871 -4.325 5.975 648 HD2 PHE 99 1HD PHE 99 -9.188 -0.289 5.683 649 HE1 PHE 99 2HE PHE 99 -10.095 -4.996 6.786 650 HE2 PHE 99 1HE PHE 99 -11.414 -0.953 6.495 651 HZ PHE 99 HZ PHE 99 -11.870 -3.309 7.046 652 H VAL 100 H VAL 100 -6.455 -0.834 1.726 653 HA VAL 100 HA VAL 100 -3.564 -0.777 1.794 654 HB VAL 100 HB VAL 100 -5.446 0.629 -0.106 655 HG11 VAL 100 1HG1 VAL 100 -2.514 -0.024 -0.386 656 HG12 VAL 100 2HG1 VAL 100 -3.522 0.813 -1.568 657 HG13 VAL 100 3HG1 VAL 100 -3.171 1.570 -0.014 658 HG21 VAL 100 1HG2 VAL 100 -5.327 -2.028 0.148 659 HG22 VAL 100 2HG2 VAL 100 -5.547 -1.228 -1.408 660 HG23 VAL 100 3HG2 VAL 100 -3.947 -1.789 -0.923 661 H ASN 101 H ASN 101 -2.694 0.528 3.292 662 HA ASN 101 HA ASN 101 -3.908 3.032 4.031 663 HB2 ASN 101 1HB ASN 101 -1.269 1.772 4.810 664 HB3 ASN 101 2HB ASN 101 -1.899 3.267 5.496 665 HD21 ASN 101 1HD2 ASN 101 -2.513 -0.171 5.125 666 HD22 ASN 101 2HD2 ASN 101 -3.488 -0.338 6.541 667 H ILE 102 H ILE 102 -3.779 4.719 2.706 668 HA ILE 102 HA ILE 102 -1.275 5.159 1.221 669 HB ILE 102 HB ILE 102 -4.034 6.233 0.623 670 HG12 ILE 102 1HG1 ILE 102 -2.399 4.179 -0.879 671 HG13 ILE 102 2HG1 ILE 102 -3.724 3.788 0.210 672 HG21 ILE 102 1HG2 ILE 102 -2.007 6.372 -1.468 673 HG22 ILE 102 2HG2 ILE 102 -3.145 7.596 -0.909 674 HG23 ILE 102 3HG2 ILE 102 -1.623 7.351 -0.053 675 HD11 ILE 102 1HD1 ILE 102 -3.875 4.285 -2.517 676 HD12 ILE 102 2HD1 ILE 102 -5.218 4.137 -1.384 677 HD13 ILE 102 3HD1 ILE 102 -4.546 5.725 -1.752 678 H LEU 103 H LEU 103 -0.003 6.574 2.219 679 HA LEU 103 HA LEU 103 -1.204 9.062 3.218 680 HB2 LEU 103 1HB LEU 103 0.808 8.868 4.932 681 HB3 LEU 103 2HB LEU 103 -0.784 8.188 5.263 682 HG LEU 103 HG LEU 103 0.296 6.033 4.182 683 HD11 LEU 103 1HD1 LEU 103 2.658 7.618 5.166 684 HD12 LEU 103 2HD1 LEU 103 2.403 6.948 3.556 685 HD13 LEU 103 3HD1 LEU 103 2.679 5.871 4.924 686 HD21 LEU 103 1HD2 LEU 103 -0.396 6.805 6.689 687 HD22 LEU 103 2HD2 LEU 103 1.316 6.440 6.905 688 HD23 LEU 103 3HD2 LEU 103 0.225 5.208 6.269 689 H PHE 104 H PHE 104 -0.244 10.849 2.487 690 HA PHE 104 HA PHE 104 2.265 10.549 0.999 691 HB2 PHE 104 1HB PHE 104 0.108 11.585 0.001 692 HB3 PHE 104 2HB PHE 104 0.530 13.003 0.956 693 HD1 PHE 104 1HD PHE 104 2.410 10.603 -1.202 694 HD2 PHE 104 2HD PHE 104 1.494 14.658 -0.290 695 HE1 PHE 104 1HE PHE 104 3.933 11.344 -2.986 696 HE2 PHE 104 2HE PHE 104 3.015 15.406 -2.074 697 HZ PHE 104 HZ PHE 104 4.236 13.749 -3.425 698 H GLU 105 H GLU 105 4.043 11.011 2.106 699 HA GLU 105 HA GLU 105 5.524 12.026 3.504 700 HB2 GLU 105 1HB GLU 105 3.700 14.401 3.090 701 HB3 GLU 105 2HB GLU 105 5.312 14.471 3.789 702 HG2 GLU 105 1HG GLU 105 4.992 13.256 1.098 703 HG3 GLU 105 2HG GLU 105 4.882 15.008 1.252 704 H GLU 106 H GLU 106 3.644 10.475 4.774 705 HA GLU 106 HA GLU 106 2.977 9.990 6.902 706 HB2 GLU 106 1HB GLU 106 3.921 12.718 7.762 707 HB3 GLU 106 2HB GLU 106 3.754 11.269 8.742 708 HG2 GLU 106 1HG GLU 106 5.582 10.231 7.433 709 HG3 GLU 106 2HG GLU 106 5.792 11.762 6.584 710 H VAL 107 H VAL 107 1.323 11.387 4.925 711 HA VAL 107 HA VAL 107 -0.673 12.498 6.781 712 HB VAL 107 HB VAL 107 -0.295 13.514 3.968 713 HG11 VAL 107 1HG1 VAL 107 -1.510 15.462 5.472 714 HG12 VAL 107 2HG1 VAL 107 -2.333 14.329 4.398 715 HG13 VAL 107 3HG1 VAL 107 -2.206 13.978 6.122 716 HG21 VAL 107 1HG2 VAL 107 1.649 13.916 5.635 717 HG22 VAL 107 2HG2 VAL 107 1.015 15.277 4.708 718 HG23 VAL 107 3HG2 VAL 107 0.537 15.058 6.392 719 H HIS 108 H HIS 108 -2.279 11.071 6.845 720 HA HIS 108 HA HIS 108 -2.816 9.153 4.850 721 HB2 HIS 108 1HB HIS 108 -4.143 10.063 7.348 722 HB3 HIS 108 2HB HIS 108 -5.136 9.177 6.195 723 HD1 HIS 108 1HD HIS 108 -4.998 6.700 6.318 724 HD2 HIS 108 2HD HIS 108 -1.749 8.538 8.142 725 HE1 HIS 108 1HE HIS 108 -3.688 4.840 7.389 726 HE2 HIS 108 2HE HIS 108 -1.774 5.985 8.559 727 H ILE 109 H ILE 109 -3.693 9.453 2.922 728 HA ILE 109 HA ILE 109 -4.891 11.874 2.104 729 HB ILE 109 HB ILE 109 -5.397 10.766 0.015 730 HG12 ILE 109 1HG1 ILE 109 -4.403 8.147 1.078 731 HG13 ILE 109 2HG1 ILE 109 -6.086 8.599 1.327 732 HG21 ILE 109 1HG2 ILE 109 -2.989 11.333 0.773 733 HG22 ILE 109 2HG2 ILE 109 -2.777 9.585 0.843 734 HG23 ILE 109 3HG2 ILE 109 -3.223 10.359 -0.678 735 HD11 ILE 109 1HD1 ILE 109 -4.861 8.673 -1.399 736 HD12 ILE 109 2HD1 ILE 109 -5.487 7.174 -0.713 737 HD13 ILE 109 3HD1 ILE 109 -6.560 8.554 -0.943 738 HA PRO 110 HA PRO 110 -9.104 11.418 3.263 739 HB2 PRO 110 1HB PRO 110 -10.325 12.768 1.250 740 HB3 PRO 110 2HB PRO 110 -9.405 13.573 2.527 741 HG2 PRO 110 1HG PRO 110 -8.565 12.877 -0.261 742 HG3 PRO 110 2HG PRO 110 -8.279 14.369 0.654 743 HD2 PRO 110 1HD PRO 110 -6.390 12.449 0.370 744 HD3 PRO 110 2HD PRO 110 -6.512 13.462 1.823 745 H GLY 111 H GLY 111 -9.087 9.077 2.881 746 HA2 GLY 111 1HA GLY 111 -11.177 8.009 1.621 747 HA3 GLY 111 2HA GLY 111 -10.045 8.167 0.287 748 H SER 112 H SER 112 -7.934 7.707 2.565 749 HA SER 112 HA SER 112 -7.988 4.787 2.276 750 HB2 SER 112 1HB SER 112 -5.688 4.799 2.260 751 HB3 SER 112 2HB SER 112 -5.985 6.414 1.616 752 HG SER 112 HG SER 112 -5.289 5.682 4.260 753 HA PRO 113 HA PRO 113 -6.416 3.243 3.226 754 HB2 PRO 113 1HB PRO 113 -7.344 0.939 4.322 755 HB3 PRO 113 2HB PRO 113 -5.936 1.803 4.951 756 HG2 PRO 113 1HG PRO 113 -8.766 1.824 5.929 757 HG3 PRO 113 2HG PRO 113 -7.260 1.738 6.862 758 HD2 PRO 113 1HD PRO 113 -8.659 4.037 6.563 759 HD3 PRO 113 2HD PRO 113 -6.890 4.008 6.713 760 H PHE 114 H PHE 114 -7.306 1.415 1.867 761 HA PHE 114 HA PHE 114 -10.133 1.937 1.217 762 HB2 PHE 114 1HB PHE 114 -7.778 1.383 -0.582 763 HB3 PHE 114 2HB PHE 114 -9.439 1.185 -1.132 764 HD1 PHE 114 1HD PHE 114 -7.071 3.659 0.288 765 HD2 PHE 114 2HD PHE 114 -10.666 3.013 -1.898 766 HE1 PHE 114 1HE PHE 114 -7.173 6.059 -0.248 767 HE2 PHE 114 2HE PHE 114 -10.772 5.411 -2.438 768 HZ PHE 114 HZ PHE 114 -9.024 6.937 -1.614 769 H LYS 115 H LYS 115 -11.113 0.275 2.271 770 HA LYS 115 HA LYS 115 -10.112 -2.356 2.447 771 HB2 LYS 115 1HB LYS 115 -11.836 -1.364 3.957 772 HB3 LYS 115 2HB LYS 115 -12.995 -1.467 2.638 773 HG2 LYS 115 1HG LYS 115 -11.553 -3.936 3.453 774 HG3 LYS 115 2HG LYS 115 -12.849 -3.328 4.486 775 HD2 LYS 115 1HD LYS 115 -13.210 -3.733 1.528 776 HD3 LYS 115 2HD LYS 115 -13.490 -5.027 2.695 777 HE2 LYS 115 1HE LYS 115 -15.212 -3.773 3.776 778 HE3 LYS 115 2HE LYS 115 -14.826 -2.331 2.839 779 HZ1 LYS 115 1HZ LYS 115 -15.674 -3.301 0.891 780 HZ2 LYS 115 2HZ LYS 115 -16.819 -3.642 2.089 781 HZ3 LYS 115 3HZ LYS 115 -15.747 -4.846 1.577 782 H ALA 116 H ALA 116 -9.898 -3.797 0.879 783 HA ALA 116 HA ALA 116 -11.753 -3.679 -1.409 784 HB1 ALA 116 1HB ALA 116 -8.861 -3.954 -1.248 785 HB2 ALA 116 2HB ALA 116 -9.616 -5.194 -2.251 786 HB3 ALA 116 3HB ALA 116 -9.882 -3.488 -2.609 787 H ASP 117 H ASP 117 -13.123 -5.314 -1.614 788 HA ASP 117 HA ASP 117 -12.854 -7.656 0.063 789 HB2 ASP 117 1HB ASP 117 -14.988 -6.554 -1.726 790 HB3 ASP 117 2HB ASP 117 -15.054 -8.248 -1.248 791 H ILE 118 H ILE 118 -11.653 -9.319 -0.552 792 HA ILE 118 HA ILE 118 -11.275 -9.843 -3.410 793 HB ILE 118 HB ILE 118 -9.795 -10.931 -1.013 794 HG12 ILE 118 1HG1 ILE 118 -9.389 -8.532 -1.555 795 HG13 ILE 118 2HG1 ILE 118 -7.957 -9.539 -1.745 796 HG21 ILE 118 1HG2 ILE 118 -9.784 -11.672 -3.870 797 HG22 ILE 118 2HG2 ILE 118 -8.208 -11.518 -3.095 798 HG23 ILE 118 3HG2 ILE 118 -9.405 -12.637 -2.444 799 HD11 ILE 118 1HD1 ILE 118 -9.244 -7.849 -3.648 800 HD12 ILE 118 2HD1 ILE 118 -7.726 -8.736 -3.788 801 HD13 ILE 118 3HD1 ILE 118 -9.244 -9.510 -4.239 802 H GLU 119 H GLU 119 -12.245 -11.490 -4.393 803 HA GLU 119 HA GLU 119 -13.643 -13.471 -2.734 804 HB2 GLU 119 1HB GLU 119 -14.068 -12.675 -5.619 805 HB3 GLU 119 2HB GLU 119 -14.972 -13.930 -4.784 806 HG2 GLU 119 1HG GLU 119 -14.922 -11.011 -4.052 807 HG3 GLU 119 2HG GLU 119 -16.224 -11.847 -4.896 808 H MET 120 H MET 120 -13.831 -15.685 -3.757 809 HA MET 120 HA MET 120 -11.156 -16.592 -4.422 810 HB2 MET 120 1HB MET 120 -13.716 -18.088 -3.843 811 HB3 MET 120 2HB MET 120 -12.183 -18.870 -4.207 812 HG2 MET 120 1HG MET 120 -11.225 -17.613 -2.236 813 HG3 MET 120 2HG MET 120 -12.884 -17.188 -1.823 814 HE1 MET 120 1HE MET 120 -10.290 -19.779 -2.422 815 HE2 MET 120 2HE MET 120 -10.226 -19.757 -0.660 816 HE3 MET 120 3HE MET 120 -10.786 -21.202 -1.505 817 HA PRO 121 HA PRO 121 -11.999 -16.662 -8.775 818 HB2 PRO 121 1HB PRO 121 -9.751 -17.995 -9.512 819 HB3 PRO 121 2HB PRO 121 -9.748 -16.289 -9.051 820 HG2 PRO 121 1HG PRO 121 -9.017 -18.692 -7.423 821 HG3 PRO 121 2HG PRO 121 -8.199 -17.122 -7.530 822 HD2 PRO 121 1HD PRO 121 -9.837 -17.773 -5.475 823 HD3 PRO 121 2HD PRO 121 -9.676 -16.111 -6.078 824 H PHE 122 H PHE 122 -11.736 -18.446 -10.559 825 HA PHE 122 HA PHE 122 -12.986 -20.887 -9.496 826 HB2 PHE 122 1HB PHE 122 -13.217 -19.509 -12.170 827 HB3 PHE 122 2HB PHE 122 -13.792 -21.152 -11.903 828 HD1 PHE 122 2HD PHE 122 -14.296 -17.617 -11.060 829 HD2 PHE 122 1HD PHE 122 -15.780 -21.585 -10.648 830 HE1 PHE 122 2HE PHE 122 -16.426 -16.728 -10.209 831 HE2 PHE 122 1HE PHE 122 -17.913 -20.702 -9.797 832 HZ PHE 122 HZ PHE 122 -18.238 -18.271 -9.575 833 H ASP 123 H ASP 123 -12.595 -22.872 -10.865 834 HA ASP 123 HA ASP 123 -9.766 -23.299 -11.053 835 HB2 ASP 123 1HB ASP 123 -10.530 -25.607 -11.866 836 HB3 ASP 123 2HB ASP 123 -10.983 -25.141 -10.229 837 HA PRO 124 HA PRO 124 -9.171 -22.380 -15.314 838 HB2 PRO 124 1HB PRO 124 -6.967 -23.896 -15.781 839 HB3 PRO 124 2HB PRO 124 -6.921 -22.396 -14.848 840 HG2 PRO 124 1HG PRO 124 -7.007 -25.227 -13.879 841 HG3 PRO 124 2HG PRO 124 -6.029 -23.871 -13.288 842 HD2 PRO 124 1HD PRO 124 -8.291 -24.687 -12.043 843 HD3 PRO 124 2HD PRO 124 -7.766 -22.991 -12.055 844 H SER 125 H SER 125 -9.293 -25.739 -14.255 845 HA SER 125 HA SER 125 -9.883 -27.673 -15.317 846 HB2 SER 125 1HB SER 125 -12.027 -26.210 -15.232 847 HB3 SER 125 2HB SER 125 -11.780 -26.022 -16.968 848 HG SER 125 HG SER 125 -11.574 -28.494 -16.787 849 H SER 126 H SER 126 -7.640 -26.402 -16.467 850 HA SER 126 HA SER 126 -7.861 -26.294 -19.307 851 HB2 SER 126 1HB SER 126 -5.342 -26.308 -19.221 852 HB3 SER 126 2HB SER 126 -6.101 -25.040 -18.258 853 HG SER 126 HG SER 126 -4.863 -27.422 -17.397 854 H GLY 127 H GLY 127 -6.451 -27.712 -20.723 855 HA2 GLY 127 1HA GLY 127 -5.421 -30.134 -20.326 856 HA3 GLY 127 2HA GLY 127 -7.133 -30.485 -20.143 857 HA PRO 128 HA PRO 128 -6.564 -29.018 -24.717 858 HB2 PRO 128 1HB PRO 128 -4.011 -28.680 -25.578 859 HB3 PRO 128 2HB PRO 128 -4.963 -27.375 -24.860 860 HG2 PRO 128 1HG PRO 128 -2.879 -29.114 -23.598 861 HG3 PRO 128 2HG PRO 128 -3.124 -27.365 -23.437 862 HD2 PRO 128 1HD PRO 128 -3.953 -29.132 -21.560 863 HD3 PRO 128 2HD PRO 128 -4.819 -27.618 -21.895 864 H SER 129 H SER 129 -4.448 -31.264 -23.139 865 HA SER 129 HA SER 129 -4.693 -33.080 -25.447 866 HB2 SER 129 1HB SER 129 -2.347 -32.801 -23.553 867 HB3 SER 129 2HB SER 129 -2.504 -34.058 -24.780 868 HG SER 129 HG SER 129 -2.847 -32.030 -26.194 869 H SER 130 H SER 130 -5.720 -34.917 -25.032 870 HA SER 130 HA SER 130 -6.068 -35.714 -22.219 871 HB2 SER 130 1HB SER 130 -8.119 -36.896 -23.013 872 HB3 SER 130 2HB SER 130 -8.182 -35.152 -23.263 873 HG SER 130 HG SER 130 -7.497 -37.091 -25.222 874 H GLY 131 H GLY 131 -4.733 -37.314 -21.687 875 HA2 GLY 131 1HA GLY 131 -3.655 -39.340 -21.731 876 HA3 GLY 131 2HA GLY 131 -4.844 -39.844 -22.923 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -32.282 -10.495 5.205 2 HA2 GLY 1 1HA GLY 1 -30.609 -10.039 7.472 3 HA3 GLY 1 2HA GLY 1 -29.706 -10.763 6.150 4 H SER 2 H SER 2 -28.463 -8.768 6.204 5 HA SER 2 HA SER 2 -29.827 -6.596 4.751 6 HB2 SER 2 1HB SER 2 -27.798 -6.474 6.969 7 HB3 SER 2 2HB SER 2 -27.976 -5.136 5.835 8 HG SER 2 HG SER 2 -29.341 -4.706 7.506 9 H SER 3 H SER 3 -28.525 -5.398 3.248 10 HA SER 3 HA SER 3 -26.334 -7.020 2.138 11 HB2 SER 3 1HB SER 3 -28.384 -5.232 0.855 12 HB3 SER 3 2HB SER 3 -26.877 -5.613 0.023 13 HG SER 3 HG SER 3 -27.623 -7.530 -0.391 14 H GLY 4 H GLY 4 -27.376 -3.610 2.345 15 HA2 GLY 4 1HA GLY 4 -25.729 -2.139 3.544 16 HA3 GLY 4 2HA GLY 4 -24.518 -2.873 2.503 17 H SER 5 H SER 5 -23.986 -1.784 0.734 18 HA SER 5 HA SER 5 -25.876 -0.417 -0.896 19 HB2 SER 5 1HB SER 5 -25.766 1.260 0.869 20 HB3 SER 5 2HB SER 5 -24.005 1.281 0.775 21 HG SER 5 HG SER 5 -24.454 2.892 -0.540 22 H SER 6 H SER 6 -25.101 -0.990 -2.811 23 HA SER 6 HA SER 6 -22.271 -0.470 -3.392 24 HB2 SER 6 1HB SER 6 -22.829 -2.954 -2.911 25 HB3 SER 6 2HB SER 6 -23.632 -2.924 -4.481 26 HG SER 6 HG SER 6 -21.727 -3.196 -5.299 27 H GLY 7 H GLY 7 -21.877 -0.645 -5.839 28 HA2 GLY 7 1HA GLY 7 -24.124 -0.164 -7.561 29 HA3 GLY 7 2HA GLY 7 -23.234 1.304 -7.191 30 H ASP 8 H ASP 8 -23.107 1.078 -9.661 31 HA ASP 8 HA ASP 8 -20.537 -0.201 -10.276 32 HB2 ASP 8 1HB ASP 8 -23.065 -0.394 -11.922 33 HB3 ASP 8 2HB ASP 8 -21.467 -0.808 -12.537 34 H VAL 9 H VAL 9 -19.153 1.231 -11.062 35 HA VAL 9 HA VAL 9 -20.167 3.768 -12.107 36 HB VAL 9 HB VAL 9 -18.467 3.870 -10.335 37 HG11 VAL 9 1HG1 VAL 9 -17.316 1.738 -11.586 38 HG12 VAL 9 2HG1 VAL 9 -16.243 3.058 -12.057 39 HG13 VAL 9 3HG1 VAL 9 -16.540 2.726 -10.349 40 HG21 VAL 9 1HG2 VAL 9 -18.188 5.825 -11.397 41 HG22 VAL 9 2HG2 VAL 9 -16.701 5.104 -12.012 42 HG23 VAL 9 3HG2 VAL 9 -18.168 5.068 -12.990 43 H THR 10 H THR 10 -19.907 4.421 -14.169 44 HA THR 10 HA THR 10 -18.455 2.609 -15.987 45 HB THR 10 HB THR 10 -20.024 3.415 -17.773 46 HG1 THR 10 1HG THR 10 -20.693 5.292 -16.407 47 HG21 THR 10 1HG2 THR 10 -21.964 2.053 -16.973 48 HG22 THR 10 2HG2 THR 10 -21.181 1.961 -15.395 49 HG23 THR 10 3HG2 THR 10 -20.403 1.250 -16.809 50 H TYR 11 H TYR 11 -16.524 3.650 -16.162 51 HA TYR 11 HA TYR 11 -16.595 6.453 -17.069 52 HB2 TYR 11 1HB TYR 11 -14.451 6.795 -16.078 53 HB3 TYR 11 2HB TYR 11 -15.445 5.989 -14.870 54 HD1 TYR 11 1HD TYR 11 -12.623 5.598 -17.190 55 HD2 TYR 11 2HD TYR 11 -14.940 3.747 -14.139 56 HE1 TYR 11 1HE TYR 11 -10.911 3.848 -16.960 57 HE2 TYR 11 2HE TYR 11 -13.233 1.993 -13.899 58 HH TYR 11 HH TYR 11 -10.255 2.187 -14.811 59 H ASP 12 H ASP 12 -14.773 7.063 -18.523 60 HA ASP 12 HA ASP 12 -14.118 4.847 -20.354 61 HB2 ASP 12 1HB ASP 12 -15.777 6.660 -21.142 62 HB3 ASP 12 2HB ASP 12 -14.370 7.716 -21.227 63 H GLY 13 H GLY 13 -13.049 8.079 -19.296 64 HA2 GLY 13 1HA GLY 13 -10.871 8.583 -18.537 65 HA3 GLY 13 2HA GLY 13 -10.295 7.096 -19.276 66 H HIS 14 H HIS 14 -9.533 10.057 -19.441 67 HA HIS 14 HA HIS 14 -8.929 10.008 -22.263 68 HB2 HIS 14 1HB HIS 14 -10.725 12.127 -21.081 69 HB3 HIS 14 2HB HIS 14 -9.845 12.352 -22.590 70 HD1 HIS 14 1HD HIS 14 -10.637 10.970 -24.641 71 HD2 HIS 14 2HD HIS 14 -12.956 10.462 -21.231 72 HE1 HIS 14 1HE HIS 14 -12.733 9.818 -25.419 73 HE2 HIS 14 2HE HIS 14 -14.157 9.598 -23.353 74 HA PRO 15 HA PRO 15 -5.283 11.945 -20.740 75 HB2 PRO 15 1HB PRO 15 -4.328 12.963 -23.068 76 HB3 PRO 15 2HB PRO 15 -4.278 11.239 -22.682 77 HG2 PRO 15 1HG PRO 15 -6.223 12.742 -24.390 78 HG3 PRO 15 2HG PRO 15 -5.455 11.172 -24.686 79 HD2 PRO 15 1HD PRO 15 -7.992 11.402 -23.768 80 HD3 PRO 15 2HD PRO 15 -6.933 10.049 -23.320 81 H VAL 16 H VAL 16 -4.904 13.835 -19.764 82 HA VAL 16 HA VAL 16 -6.533 16.143 -20.479 83 HB VAL 16 HB VAL 16 -5.735 17.138 -18.396 84 HG11 VAL 16 1HG1 VAL 16 -7.357 16.044 -17.344 85 HG12 VAL 16 2HG1 VAL 16 -7.345 14.852 -18.646 86 HG13 VAL 16 3HG1 VAL 16 -6.354 14.601 -17.209 87 HG21 VAL 16 1HG2 VAL 16 -4.418 15.388 -16.909 88 HG22 VAL 16 2HG2 VAL 16 -3.852 14.839 -18.487 89 HG23 VAL 16 3HG2 VAL 16 -3.578 16.507 -17.983 90 HA PRO 17 HA PRO 17 -3.322 18.249 -22.632 91 HB2 PRO 17 1HB PRO 17 -4.183 20.802 -22.301 92 HB3 PRO 17 2HB PRO 17 -4.966 19.659 -23.398 93 HG2 PRO 17 1HG PRO 17 -5.751 20.464 -20.624 94 HG3 PRO 17 2HG PRO 17 -6.774 20.235 -22.054 95 HD2 PRO 17 1HD PRO 17 -6.550 18.364 -20.110 96 HD3 PRO 17 2HD PRO 17 -6.816 17.943 -21.814 97 H GLY 18 H GLY 18 -2.085 20.525 -22.226 98 HA2 GLY 18 1HA GLY 18 -1.318 21.814 -20.148 99 HA3 GLY 18 2HA GLY 18 -0.885 20.219 -19.551 100 H SER 19 H SER 19 0.970 22.280 -19.773 101 HA SER 19 HA SER 19 2.574 21.516 -22.117 102 HB2 SER 19 1HB SER 19 2.782 23.947 -20.324 103 HB3 SER 19 2HB SER 19 3.852 23.599 -21.682 104 HG SER 19 HG SER 19 2.047 23.729 -23.056 105 HA PRO 20 HA PRO 20 4.686 19.330 -18.676 106 HB2 PRO 20 1HB PRO 20 5.515 17.262 -20.226 107 HB3 PRO 20 2HB PRO 20 3.912 17.324 -19.485 108 HG2 PRO 20 1HG PRO 20 4.731 17.988 -22.286 109 HG3 PRO 20 2HG PRO 20 3.317 17.082 -21.720 110 HD2 PRO 20 1HD PRO 20 3.177 19.680 -22.470 111 HD3 PRO 20 2HD PRO 20 2.141 18.995 -21.202 112 H TYR 21 H TYR 21 5.609 21.087 -21.302 113 HA TYR 21 HA TYR 21 8.369 20.289 -21.467 114 HB2 TYR 21 1HB TYR 21 6.866 21.438 -23.277 115 HB3 TYR 21 2HB TYR 21 7.350 22.925 -22.470 116 HD1 TYR 21 2HD TYR 21 9.019 19.782 -23.638 117 HD2 TYR 21 1HD TYR 21 9.108 24.032 -23.453 118 HE1 TYR 21 2HE TYR 21 11.117 19.788 -24.921 119 HE2 TYR 21 1HE TYR 21 11.207 24.049 -24.736 120 HH TYR 21 HH TYR 21 12.391 21.311 -26.359 121 H THR 22 H THR 22 6.847 21.583 -19.004 122 HA THR 22 HA THR 22 9.039 23.435 -18.323 123 HB THR 22 HB THR 22 6.170 23.537 -17.370 124 HG1 THR 22 1HG THR 22 6.920 24.359 -19.581 125 HG21 THR 22 1HG2 THR 22 6.764 25.476 -16.110 126 HG22 THR 22 2HG2 THR 22 8.395 25.485 -16.782 127 HG23 THR 22 3HG2 THR 22 7.905 24.203 -15.675 128 H VAL 23 H VAL 23 9.878 23.357 -16.225 129 HA VAL 23 HA VAL 23 9.861 20.772 -15.013 130 HB VAL 23 HB VAL 23 11.371 21.749 -13.341 131 HG11 VAL 23 1HG1 VAL 23 12.651 21.048 -15.089 132 HG12 VAL 23 2HG1 VAL 23 11.826 22.085 -16.254 133 HG13 VAL 23 3HG1 VAL 23 13.019 22.771 -15.151 134 HG21 VAL 23 1HG2 VAL 23 12.043 24.237 -14.088 135 HG22 VAL 23 2HG2 VAL 23 10.324 24.265 -14.484 136 HG23 VAL 23 3HG2 VAL 23 10.844 23.894 -12.840 137 H GLU 24 H GLU 24 7.597 20.566 -14.496 138 HA GLU 24 HA GLU 24 6.567 22.282 -12.378 139 HB2 GLU 24 1HB GLU 24 5.321 20.061 -13.998 140 HB3 GLU 24 2HB GLU 24 4.491 20.865 -12.674 141 HG2 GLU 24 1HG GLU 24 4.417 22.911 -13.814 142 HG3 GLU 24 2HG GLU 24 5.618 22.390 -14.995 143 H ALA 25 H ALA 25 8.689 20.989 -11.397 144 HA ALA 25 HA ALA 25 7.570 18.770 -9.812 145 HB1 ALA 25 1HB ALA 25 10.450 19.329 -10.513 146 HB2 ALA 25 2HB ALA 25 9.884 18.009 -9.489 147 HB3 ALA 25 3HB ALA 25 9.433 18.058 -11.193 148 H SER 26 H SER 26 7.841 21.894 -9.519 149 HA SER 26 HA SER 26 9.013 21.866 -6.819 150 HB2 SER 26 1HB SER 26 9.764 23.496 -8.772 151 HB3 SER 26 2HB SER 26 8.368 24.423 -8.224 152 HG SER 26 HG SER 26 10.402 24.944 -7.173 153 H LEU 27 H LEU 27 6.602 20.762 -6.820 154 HA LEU 27 HA LEU 27 4.797 22.887 -5.863 155 HB2 LEU 27 1HB LEU 27 4.198 20.289 -7.248 156 HB3 LEU 27 2HB LEU 27 2.974 21.174 -6.341 157 HG LEU 27 HG LEU 27 4.468 22.254 -8.730 158 HD11 LEU 27 1HD1 LEU 27 1.975 20.690 -8.459 159 HD12 LEU 27 2HD1 LEU 27 3.119 20.785 -9.798 160 HD13 LEU 27 3HD1 LEU 27 1.935 22.070 -9.557 161 HD21 LEU 27 1HD2 LEU 27 3.767 24.209 -7.911 162 HD22 LEU 27 2HD2 LEU 27 2.705 23.437 -6.734 163 HD23 LEU 27 3HD2 LEU 27 2.151 23.690 -8.389 164 HA PRO 28 HA PRO 28 4.963 21.011 -1.886 165 HB2 PRO 28 1HB PRO 28 2.600 21.893 -0.883 166 HB3 PRO 28 2HB PRO 28 4.005 22.944 -1.097 167 HG2 PRO 28 1HG PRO 28 1.597 22.620 -2.846 168 HG3 PRO 28 2HG PRO 28 2.434 24.106 -2.358 169 HD2 PRO 28 1HD PRO 28 2.806 22.953 -4.780 170 HD3 PRO 28 2HD PRO 28 4.092 23.840 -3.937 171 HA PRO 29 HA PRO 29 2.755 17.200 -2.122 172 HB2 PRO 29 1HB PRO 29 2.888 16.453 0.485 173 HB3 PRO 29 2HB PRO 29 4.279 16.393 -0.604 174 HG2 PRO 29 1HG PRO 29 3.553 18.467 1.428 175 HG3 PRO 29 2HG PRO 29 5.137 17.754 1.075 176 HD2 PRO 29 1HD PRO 29 4.398 20.189 0.151 177 HD3 PRO 29 2HD PRO 29 5.482 19.114 -0.754 178 H ASP 30 H ASP 30 0.625 17.450 -2.553 179 HA ASP 30 HA ASP 30 -1.133 18.343 -0.367 180 HB2 ASP 30 1HB ASP 30 -1.310 18.580 -3.347 181 HB3 ASP 30 2HB ASP 30 -2.793 18.549 -2.396 182 HA PRO 31 HA PRO 31 -2.049 13.884 -0.523 183 HB2 PRO 31 1HB PRO 31 -2.953 13.775 2.035 184 HB3 PRO 31 2HB PRO 31 -1.237 13.702 1.618 185 HG2 PRO 31 1HG PRO 31 -2.858 16.031 2.572 186 HG3 PRO 31 2HG PRO 31 -1.228 15.528 3.058 187 HD2 PRO 31 1HD PRO 31 -1.669 17.537 1.296 188 HD3 PRO 31 2HD PRO 31 -0.245 16.480 1.203 189 H SER 32 H SER 32 -4.008 16.629 0.420 190 HA SER 32 HA SER 32 -6.493 15.268 0.561 191 HB2 SER 32 1HB SER 32 -5.708 18.157 0.261 192 HB3 SER 32 2HB SER 32 -7.399 17.665 0.171 193 HG SER 32 HG SER 32 -6.941 16.578 2.259 194 H LYS 33 H LYS 33 -4.543 16.338 -2.049 195 HA LYS 33 HA LYS 33 -6.737 16.348 -3.960 196 HB2 LYS 33 1HB LYS 33 -3.766 16.784 -4.302 197 HB3 LYS 33 2HB LYS 33 -4.935 16.869 -5.613 198 HG2 LYS 33 1HG LYS 33 -5.115 18.598 -3.163 199 HG3 LYS 33 2HG LYS 33 -4.214 19.065 -4.607 200 HD2 LYS 33 1HD LYS 33 -6.105 19.357 -5.859 201 HD3 LYS 33 2HD LYS 33 -7.022 18.152 -4.952 202 HE2 LYS 33 1HE LYS 33 -6.313 20.945 -4.062 203 HE3 LYS 33 2HE LYS 33 -7.913 20.347 -4.498 204 HZ1 LYS 33 1HZ LYS 33 -6.301 19.706 -2.107 205 HZ2 LYS 33 2HZ LYS 33 -7.561 18.696 -2.610 206 HZ3 LYS 33 3HZ LYS 33 -7.883 20.302 -2.187 207 H VAL 34 H VAL 34 -3.996 14.353 -3.034 208 HA VAL 34 HA VAL 34 -3.852 12.582 -5.140 209 HB VAL 34 HB VAL 34 -3.564 11.949 -2.200 210 HG11 VAL 34 1HG1 VAL 34 -3.779 10.123 -4.209 211 HG12 VAL 34 2HG1 VAL 34 -2.035 10.385 -4.148 212 HG13 VAL 34 3HG1 VAL 34 -2.902 9.866 -2.702 213 HG21 VAL 34 1HG2 VAL 34 -2.028 13.589 -3.877 214 HG22 VAL 34 2HG2 VAL 34 -1.611 13.008 -2.265 215 HG23 VAL 34 3HG2 VAL 34 -1.113 12.093 -3.688 216 H LYS 35 H LYS 35 -5.500 11.598 -6.111 217 HA LYS 35 HA LYS 35 -7.589 10.374 -4.432 218 HB2 LYS 35 1HB LYS 35 -7.689 11.684 -7.124 219 HB3 LYS 35 2HB LYS 35 -8.873 10.449 -6.716 220 HG2 LYS 35 1HG LYS 35 -8.392 12.813 -4.937 221 HG3 LYS 35 2HG LYS 35 -9.503 12.885 -6.307 222 HD2 LYS 35 1HD LYS 35 -10.869 11.161 -5.386 223 HD3 LYS 35 2HD LYS 35 -9.677 10.804 -4.134 224 HE2 LYS 35 1HE LYS 35 -10.024 13.201 -3.350 225 HE3 LYS 35 2HE LYS 35 -11.438 13.226 -4.403 226 HZ1 LYS 35 1HZ LYS 35 -11.139 12.067 -1.824 227 HZ2 LYS 35 2HZ LYS 35 -11.665 10.913 -2.942 228 HZ3 LYS 35 3HZ LYS 35 -12.549 12.338 -2.719 229 H ALA 36 H ALA 36 -8.085 8.249 -4.702 230 HA ALA 36 HA ALA 36 -6.546 6.768 -6.735 231 HB1 ALA 36 1HB ALA 36 -5.498 5.840 -4.988 232 HB2 ALA 36 2HB ALA 36 -6.720 6.388 -3.840 233 HB3 ALA 36 3HB ALA 36 -6.987 4.917 -4.776 234 H HIS 37 H HIS 37 -7.776 5.745 -8.160 235 HA HIS 37 HA HIS 37 -10.332 4.604 -7.307 236 HB2 HIS 37 1HB HIS 37 -11.336 5.449 -9.492 237 HB3 HIS 37 2HB HIS 37 -11.085 6.650 -8.229 238 HD1 HIS 37 1HD HIS 37 -9.696 5.535 -11.543 239 HD2 HIS 37 2HD HIS 37 -9.330 8.690 -8.865 240 HE1 HIS 37 1HE HIS 37 -8.355 7.287 -12.749 241 HE2 HIS 37 2HE HIS 37 -8.073 9.151 -11.078 242 H GLY 38 H GLY 38 -10.701 2.626 -8.126 243 HA2 GLY 38 1HA GLY 38 -10.173 1.611 -10.599 244 HA3 GLY 38 2HA GLY 38 -8.655 1.402 -9.737 245 HA PRO 39 HA PRO 39 -11.539 -2.228 -8.971 246 HB2 PRO 39 1HB PRO 39 -9.899 -4.130 -10.000 247 HB3 PRO 39 2HB PRO 39 -11.083 -3.253 -10.976 248 HG2 PRO 39 1HG PRO 39 -8.140 -2.784 -10.696 249 HG3 PRO 39 2HG PRO 39 -9.142 -2.765 -12.159 250 HD2 PRO 39 1HD PRO 39 -8.361 -0.500 -10.897 251 HD3 PRO 39 2HD PRO 39 -9.909 -0.629 -11.756 252 H GLY 40 H GLY 40 -7.977 -2.140 -8.780 253 HA2 GLY 40 1HA GLY 40 -7.520 -4.015 -6.835 254 HA3 GLY 40 2HA GLY 40 -6.572 -2.545 -7.003 255 H LEU 41 H LEU 41 -9.078 -0.947 -6.452 256 HA LEU 41 HA LEU 41 -8.741 -0.876 -3.584 257 HB2 LEU 41 1HB LEU 41 -10.584 0.767 -5.310 258 HB3 LEU 41 2HB LEU 41 -10.096 1.114 -3.652 259 HG LEU 41 HG LEU 41 -8.270 1.145 -6.055 260 HD11 LEU 41 1HD1 LEU 41 -10.166 3.019 -5.339 261 HD12 LEU 41 2HD1 LEU 41 -8.752 3.297 -6.355 262 HD13 LEU 41 3HD1 LEU 41 -8.675 3.637 -4.627 263 HD21 LEU 41 1HD2 LEU 41 -7.803 1.899 -3.172 264 HD22 LEU 41 2HD2 LEU 41 -6.674 2.190 -4.496 265 HD23 LEU 41 3HD2 LEU 41 -7.085 0.538 -4.033 266 H GLU 42 H GLU 42 -11.432 -1.417 -5.845 267 HA GLU 42 HA GLU 42 -13.377 -1.934 -3.867 268 HB2 GLU 42 1HB GLU 42 -13.237 -2.801 -6.759 269 HB3 GLU 42 2HB GLU 42 -14.654 -2.990 -5.736 270 HG2 GLU 42 1HG GLU 42 -14.532 -0.470 -5.388 271 HG3 GLU 42 2HG GLU 42 -13.403 -0.460 -6.742 272 H GLY 43 H GLY 43 -11.204 -4.055 -5.688 273 HA2 GLY 43 1HA GLY 43 -10.573 -5.932 -3.933 274 HA3 GLY 43 2HA GLY 43 -12.233 -6.395 -4.277 275 H GLY 44 H GLY 44 -11.064 -8.413 -4.934 276 HA2 GLY 44 1HA GLY 44 -10.963 -8.554 -7.772 277 HA3 GLY 44 2HA GLY 44 -9.341 -8.610 -7.096 278 H LEU 45 H LEU 45 -8.602 -10.611 -6.959 279 HA LEU 45 HA LEU 45 -10.281 -12.685 -5.794 280 HB2 LEU 45 1HB LEU 45 -8.942 -12.980 -8.479 281 HB3 LEU 45 2HB LEU 45 -9.711 -14.285 -7.578 282 HG LEU 45 HG LEU 45 -11.275 -11.864 -8.401 283 HD11 LEU 45 1HD1 LEU 45 -10.164 -13.944 -10.134 284 HD12 LEU 45 2HD1 LEU 45 -10.829 -12.362 -10.537 285 HD13 LEU 45 3HD1 LEU 45 -11.909 -13.731 -10.278 286 HD21 LEU 45 1HD2 LEU 45 -13.116 -13.524 -8.377 287 HD22 LEU 45 2HD2 LEU 45 -12.331 -13.327 -6.809 288 HD23 LEU 45 3HD2 LEU 45 -11.970 -14.737 -7.806 289 H VAL 46 H VAL 46 -9.090 -14.514 -5.028 290 HA VAL 46 HA VAL 46 -6.603 -13.852 -3.878 291 HB VAL 46 HB VAL 46 -7.812 -16.601 -4.214 292 HG11 VAL 46 1HG1 VAL 46 -6.451 -16.781 -1.941 293 HG12 VAL 46 2HG1 VAL 46 -5.708 -17.110 -3.507 294 HG13 VAL 46 3HG1 VAL 46 -5.470 -15.545 -2.729 295 HG21 VAL 46 1HG2 VAL 46 -8.918 -14.478 -2.882 296 HG22 VAL 46 2HG2 VAL 46 -9.233 -16.178 -2.534 297 HG23 VAL 46 3HG2 VAL 46 -8.017 -15.299 -1.607 298 H GLY 47 H GLY 47 -4.518 -14.637 -4.282 299 HA2 GLY 47 1HA GLY 47 -2.733 -15.149 -5.633 300 HA3 GLY 47 2HA GLY 47 -3.746 -16.455 -6.229 301 H LYS 48 H LYS 48 -4.878 -13.224 -6.631 302 HA LYS 48 HA LYS 48 -4.059 -13.289 -9.462 303 HB2 LYS 48 1HB LYS 48 -6.721 -12.614 -8.238 304 HB3 LYS 48 2HB LYS 48 -6.266 -11.986 -9.817 305 HG2 LYS 48 1HG LYS 48 -5.998 -14.905 -9.350 306 HG3 LYS 48 2HG LYS 48 -7.619 -14.234 -9.544 307 HD2 LYS 48 1HD LYS 48 -7.187 -13.502 -11.715 308 HD3 LYS 48 2HD LYS 48 -5.438 -13.567 -11.489 309 HE2 LYS 48 1HE LYS 48 -7.082 -16.063 -11.334 310 HE3 LYS 48 2HE LYS 48 -6.617 -15.400 -12.900 311 HZ1 LYS 48 1HZ LYS 48 -5.064 -17.093 -12.008 312 HZ2 LYS 48 2HZ LYS 48 -4.687 -16.041 -10.739 313 HZ3 LYS 48 3HZ LYS 48 -4.327 -15.605 -12.334 314 HA PRO 49 HA PRO 49 -2.342 -9.293 -8.807 315 HB2 PRO 49 1HB PRO 49 -2.444 -8.334 -11.345 316 HB3 PRO 49 2HB PRO 49 -1.291 -9.571 -10.831 317 HG2 PRO 49 1HG PRO 49 -3.889 -9.890 -12.285 318 HG3 PRO 49 2HG PRO 49 -2.335 -10.692 -12.581 319 HD2 PRO 49 1HD PRO 49 -4.363 -11.892 -11.248 320 HD3 PRO 49 2HD PRO 49 -2.656 -12.218 -10.884 321 H ALA 50 H ALA 50 -3.149 -7.425 -8.077 322 HA ALA 50 HA ALA 50 -5.568 -6.319 -9.305 323 HB1 ALA 50 1HB ALA 50 -5.475 -7.564 -6.736 324 HB2 ALA 50 2HB ALA 50 -5.816 -5.844 -6.540 325 HB3 ALA 50 3HB ALA 50 -6.848 -6.836 -7.570 326 H GLU 51 H GLU 51 -5.203 -4.275 -9.837 327 HA GLU 51 HA GLU 51 -3.524 -2.626 -8.080 328 HB2 GLU 51 1HB GLU 51 -2.702 -1.524 -10.266 329 HB3 GLU 51 2HB GLU 51 -1.996 -3.061 -9.786 330 HG2 GLU 51 1HG GLU 51 -3.627 -4.186 -11.314 331 HG3 GLU 51 2HG GLU 51 -4.082 -2.585 -11.896 332 H PHE 52 H PHE 52 -3.684 -0.225 -8.942 333 HA PHE 52 HA PHE 52 -6.376 0.395 -9.876 334 HB2 PHE 52 1HB PHE 52 -6.442 2.160 -7.949 335 HB3 PHE 52 2HB PHE 52 -6.910 0.495 -7.620 336 HD1 PHE 52 1HD PHE 52 -5.318 -1.022 -6.464 337 HD2 PHE 52 2HD PHE 52 -4.580 3.148 -6.887 338 HE1 PHE 52 1HE PHE 52 -3.638 -1.141 -4.671 339 HE2 PHE 52 2HE PHE 52 -2.898 3.035 -5.096 340 HZ PHE 52 HZ PHE 52 -2.424 0.889 -3.986 341 H THR 53 H THR 53 -6.571 2.946 -9.900 342 HA THR 53 HA THR 53 -4.084 3.952 -11.120 343 HB THR 53 HB THR 53 -6.874 4.926 -11.740 344 HG1 THR 53 1HG THR 53 -5.547 2.676 -12.584 345 HG21 THR 53 1HG2 THR 53 -5.019 5.251 -13.866 346 HG22 THR 53 2HG2 THR 53 -4.267 5.862 -12.392 347 HG23 THR 53 3HG2 THR 53 -5.826 6.498 -12.916 348 H ILE 54 H ILE 54 -3.097 5.486 -9.998 349 HA ILE 54 HA ILE 54 -4.676 7.122 -8.134 350 HB ILE 54 HB ILE 54 -1.696 6.633 -8.197 351 HG12 ILE 54 1HG1 ILE 54 -3.765 5.686 -6.205 352 HG13 ILE 54 2HG1 ILE 54 -3.107 4.689 -7.497 353 HG21 ILE 54 1HG2 ILE 54 -2.795 7.731 -5.752 354 HG22 ILE 54 2HG2 ILE 54 -1.423 8.274 -6.717 355 HG23 ILE 54 3HG2 ILE 54 -3.055 8.797 -7.133 356 HD11 ILE 54 1HD1 ILE 54 -0.964 5.840 -6.003 357 HD12 ILE 54 2HD1 ILE 54 -2.099 5.051 -4.908 358 HD13 ILE 54 3HD1 ILE 54 -1.380 4.143 -6.237 359 H ASP 55 H ASP 55 -4.742 9.301 -8.294 360 HA ASP 55 HA ASP 55 -3.271 10.517 -10.540 361 HB2 ASP 55 1HB ASP 55 -6.053 10.900 -9.522 362 HB3 ASP 55 2HB ASP 55 -5.226 12.279 -10.242 363 H THR 56 H THR 56 -1.519 11.430 -9.631 364 HA THR 56 HA THR 56 -1.973 13.282 -7.383 365 HB THR 56 HB THR 56 0.185 12.799 -6.490 366 HG1 THR 56 1HG THR 56 1.651 12.323 -7.946 367 HG21 THR 56 1HG2 THR 56 -1.644 11.157 -6.014 368 HG22 THR 56 2HG2 THR 56 -0.017 10.490 -5.867 369 HG23 THR 56 3HG2 THR 56 -0.989 10.139 -7.296 370 H LYS 57 H LYS 57 -2.077 13.816 -10.258 371 HA LYS 57 HA LYS 57 0.295 15.071 -11.138 372 HB2 LYS 57 1HB LYS 57 -2.533 15.739 -11.969 373 HB3 LYS 57 2HB LYS 57 -1.062 16.046 -12.882 374 HG2 LYS 57 1HG LYS 57 -0.844 13.868 -13.536 375 HG3 LYS 57 2HG LYS 57 -1.698 13.243 -12.123 376 HD2 LYS 57 1HD LYS 57 -3.800 13.782 -13.019 377 HD3 LYS 57 2HD LYS 57 -3.102 14.864 -14.227 378 HE2 LYS 57 1HE LYS 57 -3.516 13.054 -15.548 379 HE3 LYS 57 2HE LYS 57 -1.898 12.632 -14.990 380 HZ1 LYS 57 1HZ LYS 57 -3.860 10.929 -14.852 381 HZ2 LYS 57 2HZ LYS 57 -4.193 11.738 -13.404 382 HZ3 LYS 57 3HZ LYS 57 -2.688 10.999 -13.634 383 H GLY 58 H GLY 58 -2.663 16.389 -9.656 384 HA2 GLY 58 1HA GLY 58 -1.310 18.972 -9.330 385 HA3 GLY 58 2HA GLY 58 -3.032 18.679 -9.136 386 H ALA 59 H ALA 59 -0.585 16.638 -7.691 387 HA ALA 59 HA ALA 59 -1.537 17.487 -5.046 388 HB1 ALA 59 1HB ALA 59 -1.853 15.219 -5.094 389 HB2 ALA 59 2HB ALA 59 -0.450 14.934 -6.124 390 HB3 ALA 59 3HB ALA 59 -0.228 15.298 -4.413 391 H GLY 60 H GLY 60 1.442 16.777 -6.845 392 HA2 GLY 60 1HA GLY 60 3.179 18.579 -6.460 393 HA3 GLY 60 2HA GLY 60 2.943 18.226 -4.755 394 H THR 61 H THR 61 5.035 17.576 -4.356 395 HA THR 61 HA THR 61 5.728 14.940 -5.433 396 HB THR 61 HB THR 61 7.706 17.221 -5.247 397 HG1 THR 61 1HG THR 61 7.122 17.618 -7.233 398 HG21 THR 61 1HG2 THR 61 8.662 15.061 -6.802 399 HG22 THR 61 2HG2 THR 61 8.048 14.383 -5.294 400 HG23 THR 61 3HG2 THR 61 9.279 15.645 -5.257 401 H GLY 62 H GLY 62 6.365 13.554 -3.898 402 HA2 GLY 62 1HA GLY 62 7.897 14.292 -1.623 403 HA3 GLY 62 2HA GLY 62 6.205 14.113 -1.185 404 H GLY 63 H GLY 63 6.420 12.305 0.083 405 HA2 GLY 63 1HA GLY 63 7.273 9.863 -1.346 406 HA3 GLY 63 2HA GLY 63 7.655 10.140 0.347 407 H LEU 64 H LEU 64 5.537 8.667 -1.760 408 HA LEU 64 HA LEU 64 3.245 8.744 0.034 409 HB2 LEU 64 1HB LEU 64 2.976 8.889 -2.432 410 HB3 LEU 64 2HB LEU 64 3.595 7.243 -2.556 411 HG LEU 64 HG LEU 64 1.580 6.736 -0.923 412 HD11 LEU 64 1HD1 LEU 64 -0.373 8.135 -1.574 413 HD12 LEU 64 2HD1 LEU 64 0.747 9.260 -2.341 414 HD13 LEU 64 3HD1 LEU 64 0.829 8.984 -0.601 415 HD21 LEU 64 1HD2 LEU 64 1.671 7.014 -3.891 416 HD22 LEU 64 2HD2 LEU 64 0.151 6.574 -3.112 417 HD23 LEU 64 3HD2 LEU 64 1.578 5.560 -2.896 418 H GLY 65 H GLY 65 2.902 7.278 1.566 419 HA2 GLY 65 1HA GLY 65 4.546 4.844 1.559 420 HA3 GLY 65 2HA GLY 65 3.742 5.537 2.960 421 H LEU 66 H LEU 66 3.671 3.032 0.834 422 HA LEU 66 HA LEU 66 0.768 2.650 1.159 423 HB2 LEU 66 1HB LEU 66 1.955 2.762 -1.182 424 HB3 LEU 66 2HB LEU 66 2.368 1.089 -0.813 425 HG LEU 66 HG LEU 66 -0.184 0.810 -0.423 426 HD11 LEU 66 1HD1 LEU 66 -0.372 3.043 -2.399 427 HD12 LEU 66 2HD1 LEU 66 -0.425 3.382 -0.669 428 HD13 LEU 66 3HD1 LEU 66 -1.632 2.321 -1.397 429 HD21 LEU 66 1HD2 LEU 66 1.475 0.732 -2.809 430 HD22 LEU 66 2HD2 LEU 66 -0.238 0.936 -3.176 431 HD23 LEU 66 3HD2 LEU 66 0.300 -0.437 -2.207 432 H THR 67 H THR 67 0.211 1.176 2.606 433 HA THR 67 HA THR 67 1.880 -1.213 2.936 434 HB THR 67 HB THR 67 1.326 -1.031 5.457 435 HG1 THR 67 1HG THR 67 1.340 1.341 6.000 436 HG21 THR 67 1HG2 THR 67 3.512 -0.622 5.600 437 HG22 THR 67 2HG2 THR 67 3.264 1.058 5.125 438 HG23 THR 67 3HG2 THR 67 3.507 -0.180 3.893 439 H VAL 68 H VAL 68 0.729 -3.036 2.952 440 HA VAL 68 HA VAL 68 -2.174 -2.858 2.927 441 HB VAL 68 HB VAL 68 -0.341 -5.208 2.437 442 HG11 VAL 68 1HG1 VAL 68 -2.878 -5.675 1.335 443 HG12 VAL 68 2HG1 VAL 68 -2.124 -6.507 2.697 444 HG13 VAL 68 3HG1 VAL 68 -3.156 -5.105 2.980 445 HG21 VAL 68 1HG2 VAL 68 -0.740 -3.073 0.817 446 HG22 VAL 68 2HG2 VAL 68 -0.353 -4.696 0.245 447 HG23 VAL 68 3HG2 VAL 68 -2.030 -4.149 0.277 448 H GLU 69 H GLU 69 -3.112 -2.802 4.873 449 HA GLU 69 HA GLU 69 -2.014 -4.398 7.060 450 HB2 GLU 69 1HB GLU 69 -4.055 -2.190 6.926 451 HB3 GLU 69 2HB GLU 69 -3.859 -3.175 8.369 452 HG2 GLU 69 1HG GLU 69 -1.844 -1.348 7.098 453 HG3 GLU 69 2HG GLU 69 -2.595 -1.202 8.686 454 H GLY 70 H GLY 70 -2.703 -6.377 5.857 455 HA2 GLY 70 1HA GLY 70 -5.558 -6.952 6.364 456 HA3 GLY 70 2HA GLY 70 -4.650 -7.654 5.033 457 HA PRO 71 HA PRO 71 -4.684 -10.624 8.626 458 HB2 PRO 71 1HB PRO 71 -5.566 -12.752 7.190 459 HB3 PRO 71 2HB PRO 71 -6.657 -11.594 7.959 460 HG2 PRO 71 1HG PRO 71 -5.768 -11.750 5.105 461 HG3 PRO 71 2HG PRO 71 -7.387 -11.436 5.757 462 HD2 PRO 71 1HD PRO 71 -5.773 -9.460 4.851 463 HD3 PRO 71 2HD PRO 71 -6.923 -9.219 6.181 464 H CYS 72 H CYS 72 -3.166 -10.273 5.617 465 HA CYS 72 HA CYS 72 -0.964 -11.957 6.478 466 HB2 CYS 72 1HB CYS 72 -2.660 -13.286 5.001 467 HB3 CYS 72 2HB CYS 72 -1.956 -12.365 3.677 468 HG CYS 72 HG CYS 72 -0.294 -14.303 3.291 469 H GLU 73 H GLU 73 0.973 -11.653 5.120 470 HA GLU 73 HA GLU 73 1.187 -8.868 4.334 471 HB2 GLU 73 1HB GLU 73 2.911 -9.917 5.766 472 HB3 GLU 73 2HB GLU 73 3.311 -11.016 4.453 473 HG2 GLU 73 1HG GLU 73 4.024 -9.151 3.077 474 HG3 GLU 73 2HG GLU 73 3.569 -8.019 4.348 475 H ALA 74 H ALA 74 0.035 -8.803 2.390 476 HA ALA 74 HA ALA 74 0.740 -10.550 0.206 477 HB1 ALA 74 1HB ALA 74 -1.558 -9.797 0.457 478 HB2 ALA 74 2HB ALA 74 -1.045 -8.120 0.272 479 HB3 ALA 74 3HB ALA 74 -0.889 -9.244 -1.078 480 H LYS 75 H LYS 75 2.064 -10.130 -1.475 481 HA LYS 75 HA LYS 75 4.059 -8.177 -1.262 482 HB2 LYS 75 1HB LYS 75 3.911 -10.403 -2.667 483 HB3 LYS 75 2HB LYS 75 3.335 -9.321 -3.929 484 HG2 LYS 75 1HG LYS 75 5.356 -8.139 -3.995 485 HG3 LYS 75 2HG LYS 75 5.893 -8.805 -2.450 486 HD2 LYS 75 1HD LYS 75 7.122 -9.935 -4.134 487 HD3 LYS 75 2HD LYS 75 5.896 -11.070 -3.565 488 HE2 LYS 75 1HE LYS 75 4.479 -10.447 -5.488 489 HE3 LYS 75 2HE LYS 75 5.763 -9.388 -6.066 490 HZ1 LYS 75 1HZ LYS 75 5.784 -11.539 -7.182 491 HZ2 LYS 75 2HZ LYS 75 6.001 -12.326 -5.700 492 HZ3 LYS 75 3HZ LYS 75 7.206 -11.299 -6.297 493 H ILE 76 H ILE 76 4.507 -6.353 -2.620 494 HA ILE 76 HA ILE 76 2.179 -5.183 -3.968 495 HB ILE 76 HB ILE 76 3.921 -3.655 -2.032 496 HG12 ILE 76 1HG1 ILE 76 1.007 -4.396 -1.733 497 HG13 ILE 76 2HG1 ILE 76 2.319 -5.304 -0.991 498 HG21 ILE 76 1HG2 ILE 76 2.185 -2.832 -4.156 499 HG22 ILE 76 2HG2 ILE 76 1.542 -2.280 -2.611 500 HG23 ILE 76 3HG2 ILE 76 3.184 -1.847 -3.087 501 HD11 ILE 76 1HD1 ILE 76 2.982 -3.022 0.033 502 HD12 ILE 76 2HD1 ILE 76 1.324 -2.566 -0.362 503 HD13 ILE 76 3HD1 ILE 76 1.631 -3.926 0.717 504 H GLU 77 H GLU 77 2.758 -4.780 -5.990 505 HA GLU 77 HA GLU 77 5.558 -4.098 -6.561 506 HB2 GLU 77 1HB GLU 77 4.749 -6.049 -7.757 507 HB3 GLU 77 2HB GLU 77 3.373 -5.141 -8.369 508 HG2 GLU 77 1HG GLU 77 5.018 -5.370 -10.100 509 HG3 GLU 77 2HG GLU 77 4.917 -3.681 -9.607 510 H CYS 78 H CYS 78 5.745 -1.934 -6.386 511 HA CYS 78 HA CYS 78 3.736 -0.242 -7.696 512 HB2 CYS 78 1HB CYS 78 4.613 1.591 -6.371 513 HB3 CYS 78 2HB CYS 78 4.248 0.231 -5.317 514 HG CYS 78 HG CYS 78 6.788 1.873 -4.973 515 H SER 79 H SER 79 4.192 0.857 -9.497 516 HA SER 79 HA SER 79 6.998 1.247 -10.260 517 HB2 SER 79 1HB SER 79 6.084 -0.799 -11.396 518 HB3 SER 79 2HB SER 79 4.893 0.235 -12.185 519 HG SER 79 HG SER 79 7.716 0.367 -12.434 520 H ASP 80 H ASP 80 7.242 3.370 -10.417 521 HA ASP 80 HA ASP 80 5.105 5.185 -10.834 522 HB2 ASP 80 1HB ASP 80 8.082 5.413 -10.664 523 HB3 ASP 80 2HB ASP 80 7.160 6.780 -11.285 524 H ASN 81 H ASN 81 4.798 6.640 -12.609 525 HA ASN 81 HA ASN 81 5.665 5.496 -15.182 526 HB2 ASN 81 1HB ASN 81 3.131 7.025 -14.545 527 HB3 ASN 81 2HB ASN 81 3.586 6.427 -16.138 528 HD21 ASN 81 1HD2 ASN 81 1.621 5.831 -13.669 529 HD22 ASN 81 2HD2 ASN 81 1.489 4.111 -13.769 530 H GLY 82 H GLY 82 4.807 8.541 -13.554 531 HA2 GLY 82 1HA GLY 82 6.362 10.404 -13.688 532 HA3 GLY 82 2HA GLY 82 6.732 9.900 -15.330 533 H ASP 83 H ASP 83 3.745 9.396 -15.692 534 HA ASP 83 HA ASP 83 3.150 12.066 -16.642 535 HB2 ASP 83 1HB ASP 83 1.992 9.346 -17.050 536 HB3 ASP 83 2HB ASP 83 0.961 10.742 -17.350 537 H GLY 84 H GLY 84 3.020 10.963 -13.698 538 HA2 GLY 84 1HA GLY 84 1.910 12.040 -11.917 539 HA3 GLY 84 2HA GLY 84 0.646 12.535 -13.033 540 H THR 85 H THR 85 1.666 9.250 -13.146 541 HA THR 85 HA THR 85 -0.546 8.403 -11.418 542 HB THR 85 HB THR 85 -1.141 6.653 -13.157 543 HG1 THR 85 1HG THR 85 0.920 7.451 -14.388 544 HG21 THR 85 1HG2 THR 85 -2.707 8.055 -14.233 545 HG22 THR 85 2HG2 THR 85 -1.651 9.462 -14.109 546 HG23 THR 85 3HG2 THR 85 -2.414 8.802 -12.663 547 H CYS 86 H CYS 86 -0.412 6.183 -10.731 548 HA CYS 86 HA CYS 86 2.261 4.992 -11.050 549 HB2 CYS 86 1HB CYS 86 1.638 6.195 -8.778 550 HB3 CYS 86 2HB CYS 86 0.795 4.683 -8.465 551 HG CYS 86 HG CYS 86 3.781 5.273 -7.712 552 H SER 87 H SER 87 2.368 2.751 -11.082 553 HA SER 87 HA SER 87 -0.231 1.396 -11.381 554 HB2 SER 87 1HB SER 87 0.860 1.316 -13.481 555 HB3 SER 87 2HB SER 87 2.421 0.951 -12.747 556 HG SER 87 HG SER 87 0.244 -0.810 -12.442 557 H VAL 88 H VAL 88 -0.304 0.985 -9.103 558 HA VAL 88 HA VAL 88 1.715 -0.847 -8.044 559 HB VAL 88 HB VAL 88 -0.625 0.404 -6.601 560 HG11 VAL 88 1HG1 VAL 88 0.511 -1.740 -5.730 561 HG12 VAL 88 2HG1 VAL 88 1.870 -0.682 -5.346 562 HG13 VAL 88 3HG1 VAL 88 0.290 -0.392 -4.616 563 HG21 VAL 88 1HG2 VAL 88 1.161 1.884 -5.612 564 HG22 VAL 88 2HG2 VAL 88 2.234 1.307 -6.887 565 HG23 VAL 88 3HG2 VAL 88 0.767 2.194 -7.304 566 H SER 89 H SER 89 1.400 -2.966 -8.053 567 HA SER 89 HA SER 89 -1.366 -3.981 -8.103 568 HB2 SER 89 1HB SER 89 -0.476 -5.890 -9.488 569 HB3 SER 89 2HB SER 89 -0.470 -4.328 -10.305 570 HG SER 89 HG SER 89 1.782 -4.181 -9.600 571 H TYR 90 H TYR 90 -1.858 -5.382 -6.546 572 HA TYR 90 HA TYR 90 0.355 -6.579 -5.012 573 HB2 TYR 90 1HB TYR 90 -1.026 -6.501 -3.051 574 HB3 TYR 90 2HB TYR 90 -1.064 -4.905 -3.794 575 HD1 TYR 90 2HD TYR 90 -2.995 -7.975 -3.170 576 HD2 TYR 90 1HD TYR 90 -3.098 -4.006 -4.697 577 HE1 TYR 90 2HE TYR 90 -5.453 -8.059 -3.206 578 HE2 TYR 90 1HE TYR 90 -5.556 -4.078 -4.736 579 HH TYR 90 HH TYR 90 -7.380 -5.261 -3.738 580 H LEU 91 H LEU 91 -0.105 -8.680 -4.017 581 HA LEU 91 HA LEU 91 -2.113 -10.257 -5.471 582 HB2 LEU 91 1HB LEU 91 0.818 -10.661 -5.330 583 HB3 LEU 91 2HB LEU 91 -0.196 -12.098 -5.212 584 HG LEU 91 HG LEU 91 -0.651 -10.202 -7.468 585 HD11 LEU 91 1HD1 LEU 91 1.467 -10.376 -8.145 586 HD12 LEU 91 2HD1 LEU 91 1.084 -12.058 -8.510 587 HD13 LEU 91 3HD1 LEU 91 1.832 -11.639 -6.969 588 HD21 LEU 91 1HD2 LEU 91 -1.806 -12.542 -6.715 589 HD22 LEU 91 2HD2 LEU 91 -0.590 -13.110 -7.859 590 HD23 LEU 91 3HD2 LEU 91 -1.788 -11.917 -8.364 591 HA PRO 92 HA PRO 92 -2.868 -11.139 -1.108 592 HB2 PRO 92 1HB PRO 92 -5.348 -12.162 -1.524 593 HB3 PRO 92 2HB PRO 92 -5.026 -10.426 -1.445 594 HG2 PRO 92 1HG PRO 92 -5.370 -12.181 -3.846 595 HG3 PRO 92 2HG PRO 92 -6.019 -10.559 -3.544 596 HD2 PRO 92 1HD PRO 92 -3.836 -10.991 -5.088 597 HD3 PRO 92 2HD PRO 92 -4.038 -9.525 -4.107 598 H THR 93 H THR 93 -3.136 -13.076 0.098 599 HA THR 93 HA THR 93 -2.333 -15.474 -1.390 600 HB THR 93 HB THR 93 -1.613 -16.385 0.772 601 HG1 THR 93 1HG THR 93 -2.271 -15.490 2.569 602 HG21 THR 93 1HG2 THR 93 0.362 -15.385 0.490 603 HG22 THR 93 2HG2 THR 93 -0.273 -13.845 1.069 604 HG23 THR 93 3HG2 THR 93 -0.430 -14.280 -0.633 605 H LYS 94 H LYS 94 -4.725 -14.281 0.906 606 HA LYS 94 HA LYS 94 -6.414 -16.587 0.246 607 HB2 LYS 94 1HB LYS 94 -7.175 -16.530 2.695 608 HB3 LYS 94 2HB LYS 94 -5.617 -17.267 2.346 609 HG2 LYS 94 1HG LYS 94 -5.014 -15.992 4.116 610 HG3 LYS 94 2HG LYS 94 -4.768 -14.803 2.835 611 HD2 LYS 94 1HD LYS 94 -5.988 -13.678 4.507 612 HD3 LYS 94 2HD LYS 94 -7.169 -14.077 3.258 613 HE2 LYS 94 1HE LYS 94 -8.254 -14.663 5.229 614 HE3 LYS 94 2HE LYS 94 -7.604 -16.197 4.653 615 HZ1 LYS 94 1HZ LYS 94 -6.170 -14.501 6.611 616 HZ2 LYS 94 2HZ LYS 94 -5.885 -16.124 6.232 617 HZ3 LYS 94 3HZ LYS 94 -7.280 -15.688 7.083 618 HA PRO 95 HA PRO 95 -9.625 -13.639 -0.276 619 HB2 PRO 95 1HB PRO 95 -11.801 -15.087 0.456 620 HB3 PRO 95 2HB PRO 95 -10.925 -15.366 -1.054 621 HG2 PRO 95 1HG PRO 95 -10.744 -16.845 1.543 622 HG3 PRO 95 2HG PRO 95 -10.792 -17.487 -0.109 623 HD2 PRO 95 1HD PRO 95 -8.489 -17.250 1.296 624 HD3 PRO 95 2HD PRO 95 -8.553 -17.072 -0.470 625 H GLY 96 H GLY 96 -10.080 -11.929 0.953 626 HA2 GLY 96 1HA GLY 96 -11.546 -12.092 3.370 627 HA3 GLY 96 2HA GLY 96 -9.845 -11.832 3.727 628 H GLU 97 H GLU 97 -9.274 -9.784 3.968 629 HA GLU 97 HA GLU 97 -10.352 -7.740 2.215 630 HB2 GLU 97 1HB GLU 97 -10.999 -6.278 4.127 631 HB3 GLU 97 2HB GLU 97 -12.014 -7.702 3.952 632 HG2 GLU 97 1HG GLU 97 -9.685 -7.852 5.787 633 HG3 GLU 97 2HG GLU 97 -11.100 -6.931 6.295 634 H TYR 98 H TYR 98 -8.819 -6.313 1.708 635 HA TYR 98 HA TYR 98 -6.459 -6.133 3.466 636 HB2 TYR 98 1HB TYR 98 -6.572 -5.915 0.450 637 HB3 TYR 98 2HB TYR 98 -5.128 -5.686 1.430 638 HD1 TYR 98 1HD TYR 98 -7.585 -8.156 0.234 639 HD2 TYR 98 2HD TYR 98 -3.923 -7.558 2.315 640 HE1 TYR 98 1HE TYR 98 -7.124 -10.569 0.103 641 HE2 TYR 98 2HE TYR 98 -3.450 -9.969 2.188 642 HH TYR 98 HH TYR 98 -4.999 -12.137 1.951 643 H PHE 99 H PHE 99 -6.079 -4.199 4.303 644 HA PHE 99 HA PHE 99 -7.495 -1.883 3.209 645 HB2 PHE 99 1HB PHE 99 -6.150 -2.377 5.867 646 HB3 PHE 99 2HB PHE 99 -6.770 -0.801 5.385 647 HD1 PHE 99 2HD PHE 99 -7.858 -4.349 5.713 648 HD2 PHE 99 1HD PHE 99 -8.934 -0.237 5.928 649 HE1 PHE 99 2HE PHE 99 -10.088 -4.979 6.539 650 HE2 PHE 99 1HE PHE 99 -11.166 -0.860 6.756 651 HZ PHE 99 HZ PHE 99 -11.745 -3.234 7.061 652 H VAL 100 H VAL 100 -6.379 -0.832 1.694 653 HA VAL 100 HA VAL 100 -3.490 -0.758 1.717 654 HB VAL 100 HB VAL 100 -5.414 0.650 -0.139 655 HG11 VAL 100 1HG1 VAL 100 -2.948 0.057 -1.376 656 HG12 VAL 100 2HG1 VAL 100 -3.618 1.642 -0.985 657 HG13 VAL 100 3HG1 VAL 100 -2.582 0.810 0.176 658 HG21 VAL 100 1HG2 VAL 100 -5.526 -1.197 -1.448 659 HG22 VAL 100 2HG2 VAL 100 -3.906 -1.741 -1.012 660 HG23 VAL 100 3HG2 VAL 100 -5.254 -2.012 0.093 661 H ASN 101 H ASN 101 -2.600 0.538 3.211 662 HA ASN 101 HA ASN 101 -3.809 3.031 3.992 663 HB2 ASN 101 1HB ASN 101 -1.147 1.784 4.710 664 HB3 ASN 101 2HB ASN 101 -1.781 3.263 5.425 665 HD21 ASN 101 1HD2 ASN 101 -2.552 -0.145 4.908 666 HD22 ASN 101 2HD2 ASN 101 -3.428 -0.352 6.384 667 H ILE 102 H ILE 102 -3.734 4.694 2.624 668 HA ILE 102 HA ILE 102 -1.245 5.176 1.128 669 HB ILE 102 HB ILE 102 -4.023 6.210 0.548 670 HG12 ILE 102 1HG1 ILE 102 -2.405 4.226 -1.051 671 HG13 ILE 102 2HG1 ILE 102 -3.579 3.736 0.166 672 HG21 ILE 102 1HG2 ILE 102 -2.087 6.371 -1.597 673 HG22 ILE 102 2HG2 ILE 102 -3.143 7.617 -0.935 674 HG23 ILE 102 3HG2 ILE 102 -1.580 7.295 -0.183 675 HD11 ILE 102 1HD1 ILE 102 -5.024 5.469 -1.372 676 HD12 ILE 102 2HD1 ILE 102 -3.983 4.680 -2.556 677 HD13 ILE 102 3HD1 ILE 102 -5.030 3.712 -1.519 678 H LEU 103 H LEU 103 0.012 6.620 2.102 679 HA LEU 103 HA LEU 103 -1.224 9.085 3.118 680 HB2 LEU 103 1HB LEU 103 0.827 8.931 4.793 681 HB3 LEU 103 2HB LEU 103 -0.748 8.228 5.156 682 HG LEU 103 HG LEU 103 0.342 6.085 4.062 683 HD11 LEU 103 1HD1 LEU 103 2.420 7.036 3.386 684 HD12 LEU 103 2HD1 LEU 103 2.743 5.961 4.746 685 HD13 LEU 103 3HD1 LEU 103 2.703 7.707 4.992 686 HD21 LEU 103 1HD2 LEU 103 0.041 7.105 6.724 687 HD22 LEU 103 2HD2 LEU 103 1.484 6.096 6.628 688 HD23 LEU 103 3HD2 LEU 103 -0.082 5.444 6.143 689 H PHE 104 H PHE 104 -0.330 10.882 2.341 690 HA PHE 104 HA PHE 104 2.152 10.639 0.806 691 HB2 PHE 104 1HB PHE 104 -0.120 11.701 -0.028 692 HB3 PHE 104 2HB PHE 104 0.495 13.125 0.804 693 HD1 PHE 104 1HD PHE 104 2.051 10.501 -1.347 694 HD2 PHE 104 2HD PHE 104 1.356 14.646 -0.673 695 HE1 PHE 104 1HE PHE 104 3.427 11.048 -3.312 696 HE2 PHE 104 2HE PHE 104 2.731 15.199 -2.637 697 HZ PHE 104 HZ PHE 104 3.768 13.399 -3.960 698 H GLU 105 H GLU 105 3.929 11.048 1.948 699 HA GLU 105 HA GLU 105 5.438 12.085 3.297 700 HB2 GLU 105 1HB GLU 105 3.588 14.440 2.884 701 HB3 GLU 105 2HB GLU 105 5.178 14.539 3.627 702 HG2 GLU 105 1HG GLU 105 4.926 13.341 0.915 703 HG3 GLU 105 2HG GLU 105 4.835 15.092 1.095 704 H GLU 106 H GLU 106 3.593 10.518 4.595 705 HA GLU 106 HA GLU 106 2.954 10.017 6.726 706 HB2 GLU 106 1HB GLU 106 3.946 12.732 7.581 707 HB3 GLU 106 2HB GLU 106 3.765 11.287 8.566 708 HG2 GLU 106 1HG GLU 106 5.524 10.252 7.012 709 HG3 GLU 106 2HG GLU 106 5.851 11.911 6.514 710 H VAL 107 H VAL 107 1.265 11.435 4.800 711 HA VAL 107 HA VAL 107 -0.680 12.554 6.706 712 HB VAL 107 HB VAL 107 -0.366 13.568 3.884 713 HG11 VAL 107 1HG1 VAL 107 -1.536 15.532 5.367 714 HG12 VAL 107 2HG1 VAL 107 -2.408 14.351 4.387 715 HG13 VAL 107 3HG1 VAL 107 -2.193 14.077 6.116 716 HG21 VAL 107 1HG2 VAL 107 1.621 13.957 5.505 717 HG22 VAL 107 2HG2 VAL 107 0.976 15.320 4.591 718 HG23 VAL 107 3HG2 VAL 107 0.536 15.108 6.285 719 H HIS 108 H HIS 108 -2.214 11.039 6.824 720 HA HIS 108 HA HIS 108 -2.832 9.154 4.848 721 HB2 HIS 108 1HB HIS 108 -4.115 10.092 7.359 722 HB3 HIS 108 2HB HIS 108 -5.127 9.193 6.232 723 HD1 HIS 108 1HD HIS 108 -4.946 6.710 6.315 724 HD2 HIS 108 2HD HIS 108 -1.751 8.583 8.197 725 HE1 HIS 108 1HE HIS 108 -3.630 4.863 7.402 726 HE2 HIS 108 2HE HIS 108 -1.749 6.028 8.605 727 H ILE 109 H ILE 109 -3.713 9.466 2.923 728 HA ILE 109 HA ILE 109 -4.949 11.881 2.133 729 HB ILE 109 HB ILE 109 -5.440 10.789 0.034 730 HG12 ILE 109 1HG1 ILE 109 -4.378 8.169 0.991 731 HG13 ILE 109 2HG1 ILE 109 -6.044 8.582 1.380 732 HG21 ILE 109 1HG2 ILE 109 -2.796 9.654 0.866 733 HG22 ILE 109 2HG2 ILE 109 -3.258 10.391 -0.668 734 HG23 ILE 109 3HG2 ILE 109 -3.046 11.397 0.765 735 HD11 ILE 109 1HD1 ILE 109 -4.957 8.662 -1.416 736 HD12 ILE 109 2HD1 ILE 109 -5.693 7.226 -0.705 737 HD13 ILE 109 3HD1 ILE 109 -6.642 8.699 -0.897 738 HA PRO 110 HA PRO 110 -9.149 11.338 3.298 739 HB2 PRO 110 1HB PRO 110 -10.401 12.683 1.299 740 HB3 PRO 110 2HB PRO 110 -9.492 13.494 2.580 741 HG2 PRO 110 1HG PRO 110 -8.648 12.836 -0.216 742 HG3 PRO 110 2HG PRO 110 -8.387 14.325 0.710 743 HD2 PRO 110 1HD PRO 110 -6.464 12.443 0.405 744 HD3 PRO 110 2HD PRO 110 -6.600 13.441 1.867 745 H GLY 111 H GLY 111 -9.119 9.008 2.911 746 HA2 GLY 111 1HA GLY 111 -11.182 7.907 1.649 747 HA3 GLY 111 2HA GLY 111 -10.065 8.101 0.307 748 H SER 112 H SER 112 -7.964 7.660 2.632 749 HA SER 112 HA SER 112 -7.958 4.740 2.301 750 HB2 SER 112 1HB SER 112 -5.662 4.788 2.238 751 HB3 SER 112 2HB SER 112 -5.991 6.404 1.614 752 HG SER 112 HG SER 112 -5.347 5.704 4.288 753 HA PRO 113 HA PRO 113 -6.337 3.224 3.224 754 HB2 PRO 113 1HB PRO 113 -7.203 0.902 4.333 755 HB3 PRO 113 2HB PRO 113 -5.802 1.793 4.940 756 HG2 PRO 113 1HG PRO 113 -8.615 1.760 5.964 757 HG3 PRO 113 2HG PRO 113 -7.093 1.702 6.872 758 HD2 PRO 113 1HD PRO 113 -8.540 3.974 6.598 759 HD3 PRO 113 2HD PRO 113 -6.769 3.979 6.719 760 H PHE 114 H PHE 114 -7.216 1.376 1.881 761 HA PHE 114 HA PHE 114 -10.074 1.808 1.308 762 HB2 PHE 114 1HB PHE 114 -7.756 1.429 -0.581 763 HB3 PHE 114 2HB PHE 114 -9.424 1.180 -1.085 764 HD1 PHE 114 1HD PHE 114 -7.049 3.685 0.233 765 HD2 PHE 114 2HD PHE 114 -10.817 2.996 -1.623 766 HE1 PHE 114 1HE PHE 114 -7.269 6.095 -0.208 767 HE2 PHE 114 2HE PHE 114 -11.042 5.405 -2.069 768 HZ PHE 114 HZ PHE 114 -9.267 6.958 -1.362 769 H LYS 115 H LYS 115 -10.880 0.059 2.401 770 HA LYS 115 HA LYS 115 -9.765 -2.514 2.446 771 HB2 LYS 115 1HB LYS 115 -11.493 -1.698 4.027 772 HB3 LYS 115 2HB LYS 115 -12.678 -1.752 2.728 773 HG2 LYS 115 1HG LYS 115 -12.318 -4.179 2.532 774 HG3 LYS 115 2HG LYS 115 -11.191 -4.100 3.888 775 HD2 LYS 115 1HD LYS 115 -13.243 -4.783 4.821 776 HD3 LYS 115 2HD LYS 115 -13.102 -3.067 5.214 777 HE2 LYS 115 1HE LYS 115 -14.557 -2.514 3.332 778 HE3 LYS 115 2HE LYS 115 -14.681 -4.222 2.916 779 HZ1 LYS 115 1HZ LYS 115 -16.453 -4.251 4.234 780 HZ2 LYS 115 2HZ LYS 115 -16.110 -2.730 4.888 781 HZ3 LYS 115 3HZ LYS 115 -15.396 -4.114 5.548 782 H ALA 116 H ALA 116 -9.524 -3.924 0.853 783 HA ALA 116 HA ALA 116 -11.343 -3.775 -1.456 784 HB1 ALA 116 1HB ALA 116 -9.216 -5.371 -2.211 785 HB2 ALA 116 2HB ALA 116 -9.444 -3.669 -2.615 786 HB3 ALA 116 3HB ALA 116 -8.473 -4.120 -1.214 787 H ASP 117 H ASP 117 -12.955 -5.190 -1.161 788 HA ASP 117 HA ASP 117 -12.676 -7.625 0.291 789 HB2 ASP 117 1HB ASP 117 -14.801 -6.136 -0.249 790 HB3 ASP 117 2HB ASP 117 -14.925 -7.221 -1.631 791 H ILE 118 H ILE 118 -11.569 -9.313 -0.433 792 HA ILE 118 HA ILE 118 -11.444 -9.824 -3.316 793 HB ILE 118 HB ILE 118 -9.811 -10.990 -1.058 794 HG12 ILE 118 1HG1 ILE 118 -9.358 -8.603 -1.589 795 HG13 ILE 118 2HG1 ILE 118 -7.989 -9.652 -1.938 796 HG21 ILE 118 1HG2 ILE 118 -9.881 -11.550 -3.995 797 HG22 ILE 118 2HG2 ILE 118 -8.383 -11.741 -3.085 798 HG23 ILE 118 3HG2 ILE 118 -9.810 -12.679 -2.643 799 HD11 ILE 118 1HD1 ILE 118 -7.940 -8.924 -4.020 800 HD12 ILE 118 2HD1 ILE 118 -9.608 -9.440 -4.270 801 HD13 ILE 118 3HD1 ILE 118 -9.268 -7.825 -3.649 802 H GLU 119 H GLU 119 -12.010 -11.795 -4.218 803 HA GLU 119 HA GLU 119 -13.459 -13.656 -2.455 804 HB2 GLU 119 1HB GLU 119 -14.255 -12.852 -5.259 805 HB3 GLU 119 2HB GLU 119 -15.090 -14.022 -4.247 806 HG2 GLU 119 1HG GLU 119 -15.748 -12.326 -2.704 807 HG3 GLU 119 2HG GLU 119 -14.739 -11.128 -3.512 808 H MET 120 H MET 120 -13.756 -15.841 -3.474 809 HA MET 120 HA MET 120 -11.206 -16.778 -4.407 810 HB2 MET 120 1HB MET 120 -13.760 -18.020 -3.527 811 HB3 MET 120 2HB MET 120 -12.718 -18.977 -4.571 812 HG2 MET 120 1HG MET 120 -11.496 -17.653 -2.214 813 HG3 MET 120 2HG MET 120 -12.523 -19.058 -1.944 814 HE1 MET 120 1HE MET 120 -9.719 -19.055 -0.937 815 HE2 MET 120 2HE MET 120 -8.465 -19.811 -1.920 816 HE3 MET 120 3HE MET 120 -8.914 -18.129 -2.205 817 HA PRO 121 HA PRO 121 -12.014 -16.580 -8.737 818 HB2 PRO 121 1HB PRO 121 -10.144 -18.360 -9.573 819 HB3 PRO 121 2HB PRO 121 -9.738 -16.735 -9.009 820 HG2 PRO 121 1HG PRO 121 -9.608 -19.338 -7.537 821 HG3 PRO 121 2HG PRO 121 -8.440 -18.004 -7.556 822 HD2 PRO 121 1HD PRO 121 -10.198 -18.372 -5.530 823 HD3 PRO 121 2HD PRO 121 -9.644 -16.762 -6.031 824 H PHE 122 H PHE 122 -12.888 -17.808 -10.452 825 HA PHE 122 HA PHE 122 -14.793 -19.690 -9.822 826 HB2 PHE 122 1HB PHE 122 -13.337 -19.362 -12.454 827 HB3 PHE 122 2HB PHE 122 -14.853 -20.231 -12.236 828 HD1 PHE 122 1HD PHE 122 -16.820 -18.883 -11.242 829 HD2 PHE 122 2HD PHE 122 -13.362 -17.113 -12.982 830 HE1 PHE 122 1HE PHE 122 -18.070 -16.793 -11.594 831 HE2 PHE 122 2HE PHE 122 -14.606 -15.021 -13.335 832 HZ PHE 122 HZ PHE 122 -16.963 -14.858 -12.640 833 H ASP 123 H ASP 123 -14.682 -21.712 -9.134 834 HA ASP 123 HA ASP 123 -12.268 -23.153 -8.933 835 HB2 ASP 123 1HB ASP 123 -14.905 -24.564 -8.872 836 HB3 ASP 123 2HB ASP 123 -13.494 -24.784 -7.840 837 HA PRO 124 HA PRO 124 -11.902 -25.014 -12.903 838 HB2 PRO 124 1HB PRO 124 -10.391 -27.168 -12.233 839 HB3 PRO 124 2HB PRO 124 -9.745 -25.524 -12.298 840 HG2 PRO 124 1HG PRO 124 -10.647 -27.113 -9.927 841 HG3 PRO 124 2HG PRO 124 -9.214 -26.083 -10.104 842 HD2 PRO 124 1HD PRO 124 -11.458 -25.253 -8.835 843 HD3 PRO 124 2HD PRO 124 -10.409 -24.145 -9.743 844 H SER 125 H SER 125 -12.791 -26.637 -14.147 845 HA SER 125 HA SER 125 -14.700 -28.380 -12.759 846 HB2 SER 125 1HB SER 125 -15.870 -28.543 -14.888 847 HB3 SER 125 2HB SER 125 -15.587 -26.845 -14.501 848 HG SER 125 HG SER 125 -14.828 -28.194 -16.664 849 H SER 126 H SER 126 -15.120 -30.509 -13.971 850 HA SER 126 HA SER 126 -12.509 -31.761 -14.492 851 HB2 SER 126 1HB SER 126 -15.097 -32.908 -13.434 852 HB3 SER 126 2HB SER 126 -13.725 -33.905 -13.916 853 HG SER 126 HG SER 126 -12.562 -33.146 -12.253 854 H GLY 127 H GLY 127 -12.092 -32.141 -16.560 855 HA2 GLY 127 1HA GLY 127 -13.034 -33.732 -18.361 856 HA3 GLY 127 2HA GLY 127 -14.347 -32.564 -18.403 857 HA PRO 128 HA PRO 128 -10.308 -30.484 -20.155 858 HB2 PRO 128 1HB PRO 128 -8.488 -32.246 -21.131 859 HB3 PRO 128 2HB PRO 128 -8.445 -31.640 -19.471 860 HG2 PRO 128 1HG PRO 128 -9.511 -34.236 -20.512 861 HG3 PRO 128 2HG PRO 128 -8.534 -33.928 -19.065 862 HD2 PRO 128 1HD PRO 128 -11.214 -34.299 -18.961 863 HD3 PRO 128 2HD PRO 128 -10.353 -33.235 -17.831 864 H SER 129 H SER 129 -12.307 -32.914 -21.292 865 HA SER 129 HA SER 129 -11.704 -33.330 -23.928 866 HB2 SER 129 1HB SER 129 -13.634 -34.348 -22.765 867 HB3 SER 129 2HB SER 129 -14.471 -32.797 -22.818 868 HG SER 129 HG SER 129 -14.006 -34.641 -24.839 869 H SER 130 H SER 130 -11.199 -31.964 -25.494 870 HA SER 130 HA SER 130 -11.379 -29.240 -25.491 871 HB2 SER 130 1HB SER 130 -11.007 -29.292 -27.867 872 HB3 SER 130 2HB SER 130 -10.146 -30.661 -27.164 873 HG SER 130 HG SER 130 -12.009 -31.944 -27.749 874 H GLY 131 H GLY 131 -13.074 -27.948 -25.250 875 HA2 GLY 131 1HA GLY 131 -15.309 -28.071 -27.030 876 HA3 GLY 131 2HA GLY 131 -15.737 -28.612 -25.413 Start of MODEL 9 1 H1 GLY 1 H GLY 1 29.438 -2.631 16.602 2 HA2 GLY 1 1HA GLY 1 30.824 -2.874 14.145 3 HA3 GLY 1 2HA GLY 1 30.231 -4.450 14.648 4 H SER 2 H SER 2 29.487 -2.749 12.349 5 HA SER 2 HA SER 2 26.648 -3.092 12.555 6 HB2 SER 2 1HB SER 2 27.861 -0.374 12.746 7 HB3 SER 2 2HB SER 2 26.396 -0.556 11.782 8 HG SER 2 HG SER 2 25.790 -0.110 13.877 9 H SER 3 H SER 3 25.546 -2.636 10.509 10 HA SER 3 HA SER 3 27.074 -2.041 8.163 11 HB2 SER 3 1HB SER 3 27.723 -4.433 8.698 12 HB3 SER 3 2HB SER 3 26.045 -4.875 8.383 13 HG SER 3 HG SER 3 26.518 -3.630 6.296 14 H GLY 4 H GLY 4 25.740 -1.102 6.763 15 HA2 GLY 4 1HA GLY 4 23.104 -2.105 6.234 16 HA3 GLY 4 2HA GLY 4 23.076 -0.617 7.169 17 H SER 5 H SER 5 22.218 -1.293 4.373 18 HA SER 5 HA SER 5 23.035 1.136 3.157 19 HB2 SER 5 1HB SER 5 25.096 -0.161 2.750 20 HB3 SER 5 2HB SER 5 24.148 -1.399 1.927 21 HG SER 5 HG SER 5 24.335 -0.231 0.205 22 H SER 6 H SER 6 22.132 1.359 0.933 23 HA SER 6 HA SER 6 20.096 -0.562 0.176 24 HB2 SER 6 1HB SER 6 18.220 0.858 0.396 25 HB3 SER 6 2HB SER 6 19.097 1.040 1.916 26 HG SER 6 HG SER 6 20.144 2.882 0.620 27 H GLY 7 H GLY 7 18.794 0.471 -1.772 28 HA2 GLY 7 1HA GLY 7 20.013 2.429 -3.379 29 HA3 GLY 7 2HA GLY 7 20.637 0.856 -3.853 30 H ASP 8 H ASP 8 19.363 2.183 -5.759 31 HA ASP 8 HA ASP 8 17.211 0.468 -6.437 32 HB2 ASP 8 1HB ASP 8 15.832 1.759 -5.002 33 HB3 ASP 8 2HB ASP 8 16.541 3.273 -5.558 34 H VAL 9 H VAL 9 16.488 0.761 -8.598 35 HA VAL 9 HA VAL 9 17.971 2.755 -10.167 36 HB VAL 9 HB VAL 9 17.697 -0.166 -10.890 37 HG11 VAL 9 1HG1 VAL 9 19.369 1.744 -12.440 38 HG12 VAL 9 2HG1 VAL 9 18.547 0.274 -12.967 39 HG13 VAL 9 3HG1 VAL 9 17.625 1.754 -12.699 40 HG21 VAL 9 1HG2 VAL 9 19.715 1.320 -9.457 41 HG22 VAL 9 2HG2 VAL 9 19.574 -0.418 -9.719 42 HG23 VAL 9 3HG2 VAL 9 20.377 0.591 -10.921 43 H THR 10 H THR 10 16.848 3.694 -11.793 44 HA THR 10 HA THR 10 14.163 2.629 -12.381 45 HB THR 10 HB THR 10 14.062 4.666 -10.948 46 HG1 THR 10 1HG THR 10 12.277 4.415 -12.191 47 HG21 THR 10 1HG2 THR 10 14.498 6.810 -12.464 48 HG22 THR 10 2HG2 THR 10 15.704 5.740 -13.178 49 HG23 THR 10 3HG2 THR 10 15.760 6.106 -11.454 50 H TYR 11 H TYR 11 13.278 3.364 -14.473 51 HA TYR 11 HA TYR 11 15.398 3.879 -16.453 52 HB2 TYR 11 1HB TYR 11 14.859 1.587 -16.736 53 HB3 TYR 11 2HB TYR 11 13.134 1.892 -16.570 54 HD1 TYR 11 1HD TYR 11 16.046 2.421 -18.805 55 HD2 TYR 11 2HD TYR 11 11.805 2.379 -18.456 56 HE1 TYR 11 1HE TYR 11 15.849 2.591 -21.251 57 HE2 TYR 11 2HE TYR 11 11.597 2.547 -20.901 58 HH TYR 11 HH TYR 11 13.259 1.847 -22.943 59 H ASP 12 H ASP 12 15.072 5.700 -17.524 60 HA ASP 12 HA ASP 12 12.309 6.673 -17.846 61 HB2 ASP 12 1HB ASP 12 14.752 8.433 -17.911 62 HB3 ASP 12 2HB ASP 12 13.071 8.902 -17.672 63 H GLY 13 H GLY 13 11.634 6.301 -19.855 64 HA2 GLY 13 1HA GLY 13 13.421 7.058 -22.069 65 HA3 GLY 13 2HA GLY 13 12.623 5.493 -22.094 66 H HIS 14 H HIS 14 11.403 8.685 -21.124 67 HA HIS 14 HA HIS 14 9.110 8.279 -22.885 68 HB2 HIS 14 1HB HIS 14 8.828 8.966 -20.475 69 HB3 HIS 14 2HB HIS 14 9.551 10.514 -20.900 70 HD1 HIS 14 1HD HIS 14 6.455 8.460 -21.450 71 HD2 HIS 14 2HD HIS 14 7.873 12.290 -22.213 72 HE1 HIS 14 1HE HIS 14 4.454 9.777 -22.216 73 HE2 HIS 14 2HE HIS 14 5.353 12.068 -22.754 74 HA PRO 15 HA PRO 15 10.667 10.999 -25.984 75 HB2 PRO 15 1HB PRO 15 8.320 11.580 -27.219 76 HB3 PRO 15 2HB PRO 15 9.135 10.021 -27.389 77 HG2 PRO 15 1HG PRO 15 6.838 10.776 -25.624 78 HG3 PRO 15 2HG PRO 15 7.065 9.313 -26.600 79 HD2 PRO 15 1HD PRO 15 7.517 9.367 -23.931 80 HD3 PRO 15 2HD PRO 15 8.442 8.330 -25.036 81 H VAL 16 H VAL 16 11.394 12.899 -25.178 82 HA VAL 16 HA VAL 16 9.760 14.754 -23.765 83 HB VAL 16 HB VAL 16 11.675 16.270 -23.879 84 HG11 VAL 16 1HG1 VAL 16 12.556 13.438 -23.329 85 HG12 VAL 16 2HG1 VAL 16 13.267 14.912 -22.670 86 HG13 VAL 16 3HG1 VAL 16 11.628 14.443 -22.216 87 HG21 VAL 16 1HG2 VAL 16 12.778 14.228 -25.800 88 HG22 VAL 16 2HG2 VAL 16 12.451 15.933 -26.110 89 HG23 VAL 16 3HG2 VAL 16 13.759 15.470 -25.022 90 HA PRO 17 HA PRO 17 7.932 17.019 -27.061 91 HB2 PRO 17 1HB PRO 17 7.615 19.427 -25.847 92 HB3 PRO 17 2HB PRO 17 6.621 18.017 -25.460 93 HG2 PRO 17 1HG PRO 17 8.999 19.116 -24.010 94 HG3 PRO 17 2HG PRO 17 7.469 18.508 -23.351 95 HD2 PRO 17 1HD PRO 17 9.734 17.025 -23.380 96 HD3 PRO 17 2HD PRO 17 8.119 16.304 -23.536 97 H GLY 18 H GLY 18 8.139 19.561 -27.814 98 HA2 GLY 18 1HA GLY 18 10.545 19.706 -29.225 99 HA3 GLY 18 2HA GLY 18 9.434 21.047 -28.988 100 H SER 19 H SER 19 9.670 22.340 -27.051 101 HA SER 19 HA SER 19 12.328 22.157 -25.810 102 HB2 SER 19 1HB SER 19 11.066 24.701 -26.863 103 HB3 SER 19 2HB SER 19 12.599 24.593 -25.997 104 HG SER 19 HG SER 19 13.544 23.916 -27.756 105 HA PRO 20 HA PRO 20 8.989 22.583 -22.629 106 HB2 PRO 20 1HB PRO 20 10.029 20.708 -20.964 107 HB3 PRO 20 2HB PRO 20 8.942 20.310 -22.299 108 HG2 PRO 20 1HG PRO 20 11.927 20.134 -22.170 109 HG3 PRO 20 2HG PRO 20 10.767 18.979 -22.851 110 HD2 PRO 20 1HD PRO 20 12.179 20.704 -24.388 111 HD3 PRO 20 2HD PRO 20 10.539 20.172 -24.810 112 H TYR 21 H TYR 21 12.430 21.940 -21.918 113 HA TYR 21 HA TYR 21 13.707 22.749 -20.157 114 HB2 TYR 21 1HB TYR 21 12.890 25.350 -21.460 115 HB3 TYR 21 2HB TYR 21 14.400 25.002 -20.624 116 HD1 TYR 21 1HD TYR 21 15.136 22.396 -21.783 117 HD2 TYR 21 2HD TYR 21 13.520 25.865 -23.642 118 HE1 TYR 21 1HE TYR 21 16.165 21.725 -23.914 119 HE2 TYR 21 2HE TYR 21 14.543 25.203 -25.779 120 HH TYR 21 HH TYR 21 16.529 22.269 -26.035 121 H THR 22 H THR 22 11.142 22.259 -19.179 122 HA THR 22 HA THR 22 10.966 24.344 -17.129 123 HB THR 22 HB THR 22 8.385 23.921 -17.242 124 HG1 THR 22 1HG THR 22 8.962 22.375 -19.130 125 HG21 THR 22 1HG2 THR 22 9.403 26.096 -17.600 126 HG22 THR 22 2HG2 THR 22 8.146 25.820 -18.806 127 HG23 THR 22 3HG2 THR 22 9.844 25.645 -19.247 128 H VAL 23 H VAL 23 10.716 23.564 -15.116 129 HA VAL 23 HA VAL 23 10.098 20.694 -14.835 130 HB VAL 23 HB VAL 23 11.932 22.383 -13.128 131 HG11 VAL 23 1HG1 VAL 23 11.186 20.939 -11.544 132 HG12 VAL 23 2HG1 VAL 23 10.703 19.719 -12.724 133 HG13 VAL 23 3HG1 VAL 23 12.402 19.898 -12.284 134 HG21 VAL 23 1HG2 VAL 23 12.884 21.738 -15.295 135 HG22 VAL 23 2HG2 VAL 23 13.701 20.930 -13.957 136 HG23 VAL 23 3HG2 VAL 23 12.534 20.047 -14.941 137 H GLU 24 H GLU 24 8.491 20.125 -13.493 138 HA GLU 24 HA GLU 24 7.345 22.215 -11.760 139 HB2 GLU 24 1HB GLU 24 5.949 20.160 -13.467 140 HB3 GLU 24 2HB GLU 24 5.139 20.996 -12.150 141 HG2 GLU 24 1HG GLU 24 6.522 22.527 -14.314 142 HG3 GLU 24 2HG GLU 24 4.890 21.902 -14.542 143 H ALA 25 H ALA 25 9.331 20.297 -11.007 144 HA ALA 25 HA ALA 25 7.824 18.440 -9.299 145 HB1 ALA 25 1HB ALA 25 9.579 16.997 -9.367 146 HB2 ALA 25 2HB ALA 25 9.853 17.825 -10.900 147 HB3 ALA 25 3HB ALA 25 10.780 18.284 -9.472 148 H SER 26 H SER 26 7.963 21.244 -8.685 149 HA SER 26 HA SER 26 9.359 21.073 -6.104 150 HB2 SER 26 1HB SER 26 10.470 22.548 -7.979 151 HB3 SER 26 2HB SER 26 9.214 23.702 -7.532 152 HG SER 26 HG SER 26 10.867 22.491 -5.590 153 H LEU 27 H LEU 27 6.767 20.425 -6.235 154 HA LEU 27 HA LEU 27 5.341 22.827 -5.295 155 HB2 LEU 27 1HB LEU 27 4.363 20.350 -6.681 156 HB3 LEU 27 2HB LEU 27 3.273 21.400 -5.779 157 HG LEU 27 HG LEU 27 4.948 22.301 -8.120 158 HD11 LEU 27 1HD1 LEU 27 2.562 20.736 -8.076 159 HD12 LEU 27 2HD1 LEU 27 3.464 21.350 -9.461 160 HD13 LEU 27 3HD1 LEU 27 2.197 22.334 -8.727 161 HD21 LEU 27 1HD2 LEU 27 4.143 24.362 -7.783 162 HD22 LEU 27 2HD2 LEU 27 3.798 23.801 -6.147 163 HD23 LEU 27 3HD2 LEU 27 2.532 23.771 -7.375 164 HA PRO 28 HA PRO 28 4.945 21.059 -1.296 165 HB2 PRO 28 1HB PRO 28 2.526 22.027 -0.532 166 HB3 PRO 28 2HB PRO 28 3.972 23.038 -0.649 167 HG2 PRO 28 1HG PRO 28 1.721 22.718 -2.597 168 HG3 PRO 28 2HG PRO 28 2.549 24.197 -2.078 169 HD2 PRO 28 1HD PRO 28 3.105 22.964 -4.424 170 HD3 PRO 28 2HD PRO 28 4.334 23.846 -3.494 171 HA PRO 29 HA PRO 29 2.681 17.288 -1.693 172 HB2 PRO 29 1HB PRO 29 2.699 16.522 0.911 173 HB3 PRO 29 2HB PRO 29 4.128 16.434 -0.126 174 HG2 PRO 29 1HG PRO 29 3.378 18.514 1.892 175 HG3 PRO 29 2HG PRO 29 4.956 17.763 1.592 176 HD2 PRO 29 1HD PRO 29 4.312 20.222 0.658 177 HD3 PRO 29 2HD PRO 29 5.402 19.125 -0.213 178 H ASP 30 H ASP 30 0.563 17.377 -2.125 179 HA ASP 30 HA ASP 30 -1.253 18.272 0.017 180 HB2 ASP 30 1HB ASP 30 -1.487 18.677 -2.967 181 HB3 ASP 30 2HB ASP 30 -2.824 18.933 -1.849 182 HA PRO 31 HA PRO 31 -2.308 13.895 -0.666 183 HB2 PRO 31 1HB PRO 31 -3.331 13.543 1.824 184 HB3 PRO 31 2HB PRO 31 -1.600 13.451 1.475 185 HG2 PRO 31 1HG PRO 31 -3.185 15.722 2.610 186 HG3 PRO 31 2HG PRO 31 -1.597 15.109 3.105 187 HD2 PRO 31 1HD PRO 31 -1.890 17.312 1.558 188 HD3 PRO 31 2HD PRO 31 -0.500 16.218 1.409 189 H SER 32 H SER 32 -4.245 16.532 0.638 190 HA SER 32 HA SER 32 -6.763 15.344 0.583 191 HB2 SER 32 1HB SER 32 -7.627 17.690 0.326 192 HB3 SER 32 2HB SER 32 -6.464 17.490 1.637 193 HG SER 32 HG SER 32 -5.267 18.913 0.682 194 H LYS 33 H LYS 33 -4.738 16.401 -2.001 195 HA LYS 33 HA LYS 33 -6.907 16.395 -3.943 196 HB2 LYS 33 1HB LYS 33 -3.939 16.810 -4.347 197 HB3 LYS 33 2HB LYS 33 -5.189 17.058 -5.559 198 HG2 LYS 33 1HG LYS 33 -5.008 18.586 -2.972 199 HG3 LYS 33 2HG LYS 33 -4.360 19.148 -4.515 200 HD2 LYS 33 1HD LYS 33 -7.248 18.388 -4.125 201 HD3 LYS 33 2HD LYS 33 -6.644 20.030 -3.884 202 HE2 LYS 33 1HE LYS 33 -7.271 20.188 -6.068 203 HE3 LYS 33 2HE LYS 33 -5.622 19.607 -6.291 204 HZ1 LYS 33 1HZ LYS 33 -7.004 17.314 -6.057 205 HZ2 LYS 33 2HZ LYS 33 -6.597 18.040 -7.529 206 HZ3 LYS 33 3HZ LYS 33 -8.128 18.294 -6.856 207 H VAL 34 H VAL 34 -4.112 14.464 -3.024 208 HA VAL 34 HA VAL 34 -3.957 12.703 -5.146 209 HB VAL 34 HB VAL 34 -3.533 12.144 -2.209 210 HG11 VAL 34 1HG1 VAL 34 -2.030 10.462 -4.003 211 HG12 VAL 34 2HG1 VAL 34 -3.088 10.013 -2.664 212 HG13 VAL 34 3HG1 VAL 34 -3.763 10.277 -4.272 213 HG21 VAL 34 1HG2 VAL 34 -1.892 13.651 -2.677 214 HG22 VAL 34 2HG2 VAL 34 -1.081 12.188 -3.235 215 HG23 VAL 34 3HG2 VAL 34 -1.866 13.258 -4.397 216 H LYS 35 H LYS 35 -5.559 11.609 -6.064 217 HA LYS 35 HA LYS 35 -7.547 10.307 -4.320 218 HB2 LYS 35 1HB LYS 35 -7.829 11.696 -6.956 219 HB3 LYS 35 2HB LYS 35 -8.929 10.383 -6.558 220 HG2 LYS 35 1HG LYS 35 -9.629 11.565 -4.545 221 HG3 LYS 35 2HG LYS 35 -8.510 12.876 -4.921 222 HD2 LYS 35 1HD LYS 35 -10.697 12.007 -6.797 223 HD3 LYS 35 2HD LYS 35 -10.929 13.252 -5.567 224 HE2 LYS 35 1HE LYS 35 -9.291 14.655 -6.562 225 HE3 LYS 35 2HE LYS 35 -8.740 13.366 -7.630 226 HZ1 LYS 35 1HZ LYS 35 -11.392 13.605 -8.200 227 HZ2 LYS 35 2HZ LYS 35 -10.121 14.238 -9.118 228 HZ3 LYS 35 3HZ LYS 35 -10.901 15.209 -7.973 229 H ALA 36 H ALA 36 -7.923 8.166 -4.582 230 HA ALA 36 HA ALA 36 -6.418 6.796 -6.716 231 HB1 ALA 36 1HB ALA 36 -5.957 4.993 -5.254 232 HB2 ALA 36 2HB ALA 36 -5.577 6.465 -4.359 233 HB3 ALA 36 3HB ALA 36 -7.079 5.599 -4.036 234 H HIS 37 H HIS 37 -7.680 5.868 -8.176 235 HA HIS 37 HA HIS 37 -10.205 4.648 -7.304 236 HB2 HIS 37 1HB HIS 37 -11.160 5.448 -9.547 237 HB3 HIS 37 2HB HIS 37 -10.988 6.648 -8.270 238 HD1 HIS 37 1HD HIS 37 -9.482 5.602 -11.550 239 HD2 HIS 37 2HD HIS 37 -9.227 8.718 -8.814 240 HE1 HIS 37 1HE HIS 37 -8.132 7.390 -12.692 241 HE2 HIS 37 2HE HIS 37 -7.918 9.231 -10.986 242 H GLY 38 H GLY 38 -10.524 2.642 -8.059 243 HA2 GLY 38 1HA GLY 38 -9.947 1.602 -10.530 244 HA3 GLY 38 2HA GLY 38 -8.467 1.385 -9.608 245 HA PRO 39 HA PRO 39 -11.507 -2.152 -8.891 246 HB2 PRO 39 1HB PRO 39 -9.991 -4.111 -10.004 247 HB3 PRO 39 2HB PRO 39 -11.162 -3.161 -10.927 248 HG2 PRO 39 1HG PRO 39 -8.193 -2.836 -10.732 249 HG3 PRO 39 2HG PRO 39 -9.237 -2.742 -12.162 250 HD2 PRO 39 1HD PRO 39 -8.311 -0.540 -10.887 251 HD3 PRO 39 2HD PRO 39 -9.889 -0.580 -11.699 252 H GLY 40 H GLY 40 -7.949 -2.124 -8.758 253 HA2 GLY 40 1HA GLY 40 -7.510 -4.093 -6.880 254 HA3 GLY 40 2HA GLY 40 -6.510 -2.658 -7.047 255 H LEU 41 H LEU 41 -8.793 -0.888 -6.379 256 HA LEU 41 HA LEU 41 -8.402 -0.873 -3.543 257 HB2 LEU 41 1HB LEU 41 -10.305 0.777 -5.198 258 HB3 LEU 41 2HB LEU 41 -9.777 1.117 -3.551 259 HG LEU 41 HG LEU 41 -7.986 1.137 -5.980 260 HD11 LEU 41 1HD1 LEU 41 -8.483 3.281 -6.316 261 HD12 LEU 41 2HD1 LEU 41 -8.420 3.651 -4.594 262 HD13 LEU 41 3HD1 LEU 41 -9.899 3.003 -5.302 263 HD21 LEU 41 1HD2 LEU 41 -6.386 2.214 -4.461 264 HD22 LEU 41 2HD2 LEU 41 -6.796 0.580 -3.939 265 HD23 LEU 41 3HD2 LEU 41 -7.507 1.972 -3.121 266 H GLU 42 H GLU 42 -11.252 -1.311 -5.636 267 HA GLU 42 HA GLU 42 -13.078 -1.844 -3.570 268 HB2 GLU 42 1HB GLU 42 -13.108 -2.746 -6.455 269 HB3 GLU 42 2HB GLU 42 -14.474 -2.868 -5.355 270 HG2 GLU 42 1HG GLU 42 -14.142 -0.313 -5.066 271 HG3 GLU 42 2HG GLU 42 -13.242 -0.440 -6.576 272 H GLY 43 H GLY 43 -10.854 -3.915 -5.330 273 HA2 GLY 43 1HA GLY 43 -10.210 -5.810 -3.663 274 HA3 GLY 43 2HA GLY 43 -11.887 -6.271 -3.916 275 H GLY 44 H GLY 44 -10.767 -8.300 -4.615 276 HA2 GLY 44 1HA GLY 44 -10.803 -8.459 -7.455 277 HA3 GLY 44 2HA GLY 44 -9.153 -8.530 -6.854 278 H LEU 45 H LEU 45 -8.544 -10.590 -7.064 279 HA LEU 45 HA LEU 45 -10.207 -12.635 -5.764 280 HB2 LEU 45 1HB LEU 45 -8.795 -12.904 -8.413 281 HB3 LEU 45 2HB LEU 45 -9.573 -14.225 -7.543 282 HG LEU 45 HG LEU 45 -11.133 -11.808 -8.390 283 HD11 LEU 45 1HD1 LEU 45 -11.781 -13.145 -10.407 284 HD12 LEU 45 2HD1 LEU 45 -10.424 -14.214 -10.055 285 HD13 LEU 45 3HD1 LEU 45 -10.134 -12.515 -10.429 286 HD21 LEU 45 1HD2 LEU 45 -12.999 -13.133 -8.051 287 HD22 LEU 45 2HD2 LEU 45 -11.923 -13.662 -6.757 288 HD23 LEU 45 3HD2 LEU 45 -12.092 -14.636 -8.218 289 H VAL 46 H VAL 46 -9.020 -14.541 -5.080 290 HA VAL 46 HA VAL 46 -6.591 -13.890 -3.789 291 HB VAL 46 HB VAL 46 -7.756 -16.637 -4.269 292 HG11 VAL 46 1HG1 VAL 46 -5.636 -17.088 -3.513 293 HG12 VAL 46 2HG1 VAL 46 -5.534 -15.596 -2.576 294 HG13 VAL 46 3HG1 VAL 46 -6.503 -16.946 -1.984 295 HG21 VAL 46 1HG2 VAL 46 -9.127 -14.745 -3.060 296 HG22 VAL 46 2HG2 VAL 46 -9.100 -16.390 -2.427 297 HG23 VAL 46 3HG2 VAL 46 -8.072 -15.151 -1.707 298 H GLY 47 H GLY 47 -4.484 -14.612 -4.151 299 HA2 GLY 47 1HA GLY 47 -2.647 -15.017 -5.471 300 HA3 GLY 47 2HA GLY 47 -3.585 -16.374 -6.077 301 H LYS 48 H LYS 48 -4.683 -13.096 -6.495 302 HA LYS 48 HA LYS 48 -3.879 -13.201 -9.326 303 HB2 LYS 48 1HB LYS 48 -6.571 -12.691 -8.128 304 HB3 LYS 48 2HB LYS 48 -6.134 -11.862 -9.616 305 HG2 LYS 48 1HG LYS 48 -5.461 -14.317 -10.348 306 HG3 LYS 48 2HG LYS 48 -6.664 -14.736 -9.126 307 HD2 LYS 48 1HD LYS 48 -8.383 -13.663 -10.278 308 HD3 LYS 48 2HD LYS 48 -7.263 -12.692 -11.236 309 HE2 LYS 48 1HE LYS 48 -8.248 -14.412 -12.620 310 HE3 LYS 48 2HE LYS 48 -6.529 -14.735 -12.400 311 HZ1 LYS 48 1HZ LYS 48 -7.626 -16.777 -12.114 312 HZ2 LYS 48 2HZ LYS 48 -8.815 -16.109 -11.114 313 HZ3 LYS 48 3HZ LYS 48 -7.228 -16.268 -10.550 314 HA PRO 49 HA PRO 49 -2.223 -9.180 -8.652 315 HB2 PRO 49 1HB PRO 49 -2.239 -8.264 -11.208 316 HB3 PRO 49 2HB PRO 49 -1.090 -9.476 -10.629 317 HG2 PRO 49 1HG PRO 49 -3.625 -9.854 -12.176 318 HG3 PRO 49 2HG PRO 49 -2.051 -10.640 -12.399 319 HD2 PRO 49 1HD PRO 49 -4.113 -11.846 -11.125 320 HD3 PRO 49 2HD PRO 49 -2.418 -12.143 -10.690 321 H ALA 50 H ALA 50 -3.055 -7.282 -8.023 322 HA ALA 50 HA ALA 50 -5.445 -6.237 -9.352 323 HB1 ALA 50 1HB ALA 50 -5.635 -5.841 -6.496 324 HB2 ALA 50 2HB ALA 50 -6.819 -6.503 -7.623 325 HB3 ALA 50 3HB ALA 50 -5.596 -7.555 -6.911 326 H GLU 51 H GLU 51 -5.162 -4.168 -9.843 327 HA GLU 51 HA GLU 51 -3.505 -2.499 -8.082 328 HB2 GLU 51 1HB GLU 51 -2.638 -1.379 -10.195 329 HB3 GLU 51 2HB GLU 51 -2.005 -2.980 -9.839 330 HG2 GLU 51 1HG GLU 51 -3.460 -3.975 -11.474 331 HG3 GLU 51 2HG GLU 51 -4.247 -2.426 -11.766 332 H PHE 52 H PHE 52 -3.702 -0.096 -8.977 333 HA PHE 52 HA PHE 52 -6.393 0.490 -9.913 334 HB2 PHE 52 1HB PHE 52 -6.521 2.214 -7.943 335 HB3 PHE 52 2HB PHE 52 -6.991 0.539 -7.676 336 HD1 PHE 52 1HD PHE 52 -5.034 -1.033 -6.875 337 HD2 PHE 52 2HD PHE 52 -5.085 3.201 -6.449 338 HE1 PHE 52 1HE PHE 52 -3.403 -1.201 -5.040 339 HE2 PHE 52 2HE PHE 52 -3.453 3.040 -4.615 340 HZ PHE 52 HZ PHE 52 -2.609 0.837 -3.909 341 H THR 53 H THR 53 -6.632 3.049 -9.852 342 HA THR 53 HA THR 53 -4.179 4.099 -11.096 343 HB THR 53 HB THR 53 -6.978 5.167 -11.475 344 HG1 THR 53 1HG THR 53 -7.220 3.790 -13.113 345 HG21 THR 53 1HG2 THR 53 -5.237 5.593 -13.684 346 HG22 THR 53 2HG2 THR 53 -4.402 6.106 -12.218 347 HG23 THR 53 3HG2 THR 53 -5.976 6.790 -12.622 348 H ILE 54 H ILE 54 -3.103 5.615 -10.030 349 HA ILE 54 HA ILE 54 -4.498 7.115 -7.920 350 HB ILE 54 HB ILE 54 -1.552 6.565 -8.287 351 HG12 ILE 54 1HG1 ILE 54 -3.484 5.679 -6.133 352 HG13 ILE 54 2HG1 ILE 54 -2.918 4.668 -7.458 353 HG21 ILE 54 1HG2 ILE 54 -3.023 8.328 -6.359 354 HG22 ILE 54 2HG2 ILE 54 -1.459 7.626 -5.952 355 HG23 ILE 54 3HG2 ILE 54 -1.608 8.699 -7.344 356 HD11 ILE 54 1HD1 ILE 54 -0.565 5.198 -6.549 357 HD12 ILE 54 2HD1 ILE 54 -1.420 5.678 -5.082 358 HD13 ILE 54 3HD1 ILE 54 -1.574 4.031 -5.695 359 H ASP 55 H ASP 55 -4.490 9.317 -7.882 360 HA ASP 55 HA ASP 55 -3.295 10.661 -10.217 361 HB2 ASP 55 1HB ASP 55 -5.892 10.566 -9.839 362 HB3 ASP 55 2HB ASP 55 -5.571 11.850 -8.677 363 H THR 56 H THR 56 -1.363 11.313 -9.377 364 HA THR 56 HA THR 56 -1.465 13.029 -6.983 365 HB THR 56 HB THR 56 1.140 12.527 -7.096 366 HG1 THR 56 1HG THR 56 0.105 10.064 -8.040 367 HG21 THR 56 1HG2 THR 56 -0.669 11.931 -5.333 368 HG22 THR 56 2HG2 THR 56 0.851 11.038 -5.334 369 HG23 THR 56 3HG2 THR 56 -0.594 10.320 -6.045 370 H LYS 57 H LYS 57 -1.911 13.724 -9.856 371 HA LYS 57 HA LYS 57 0.366 15.194 -10.749 372 HB2 LYS 57 1HB LYS 57 -2.528 15.482 -11.575 373 HB3 LYS 57 2HB LYS 57 -1.134 16.101 -12.450 374 HG2 LYS 57 1HG LYS 57 -0.432 13.954 -13.075 375 HG3 LYS 57 2HG LYS 57 -1.475 13.175 -11.882 376 HD2 LYS 57 1HD LYS 57 -3.423 13.662 -13.123 377 HD3 LYS 57 2HD LYS 57 -2.572 14.815 -14.153 378 HE2 LYS 57 1HE LYS 57 -1.243 12.964 -15.085 379 HE3 LYS 57 2HE LYS 57 -2.146 11.828 -14.084 380 HZ1 LYS 57 1HZ LYS 57 -2.931 13.165 -16.530 381 HZ2 LYS 57 2HZ LYS 57 -4.126 13.110 -15.334 382 HZ3 LYS 57 3HZ LYS 57 -3.430 11.676 -15.900 383 H GLY 58 H GLY 58 -2.765 16.180 -9.353 384 HA2 GLY 58 1HA GLY 58 -1.684 18.868 -8.909 385 HA3 GLY 58 2HA GLY 58 -3.371 18.397 -8.774 386 H ALA 59 H ALA 59 -0.657 16.709 -7.299 387 HA ALA 59 HA ALA 59 -1.746 17.443 -4.660 388 HB1 ALA 59 1HB ALA 59 -1.257 14.903 -5.792 389 HB2 ALA 59 2HB ALA 59 -0.078 15.136 -4.500 390 HB3 ALA 59 3HB ALA 59 -1.802 15.285 -4.158 391 H GLY 60 H GLY 60 1.251 16.733 -6.432 392 HA2 GLY 60 1HA GLY 60 2.992 18.520 -6.053 393 HA3 GLY 60 2HA GLY 60 2.725 18.215 -4.344 394 H THR 61 H THR 61 4.695 17.458 -3.760 395 HA THR 61 HA THR 61 5.428 14.827 -4.788 396 HB THR 61 HB THR 61 6.738 16.481 -6.116 397 HG1 THR 61 1HG THR 61 8.609 15.201 -4.469 398 HG21 THR 61 1HG2 THR 61 8.639 17.602 -4.900 399 HG22 THR 61 2HG2 THR 61 7.815 17.201 -3.393 400 HG23 THR 61 3HG2 THR 61 7.041 18.267 -4.566 401 H GLY 62 H GLY 62 7.117 13.780 -3.433 402 HA2 GLY 62 1HA GLY 62 8.206 14.543 -1.095 403 HA3 GLY 62 2HA GLY 62 6.530 14.278 -0.638 404 H GLY 63 H GLY 63 6.068 12.323 0.109 405 HA2 GLY 63 1HA GLY 63 7.299 9.970 -1.073 406 HA3 GLY 63 2HA GLY 63 7.709 10.270 0.610 407 H LEU 64 H LEU 64 5.544 8.788 -1.473 408 HA LEU 64 HA LEU 64 3.320 8.788 0.406 409 HB2 LEU 64 1HB LEU 64 2.833 9.001 -1.966 410 HB3 LEU 64 2HB LEU 64 3.657 7.476 -2.288 411 HG LEU 64 HG LEU 64 1.853 6.486 -0.681 412 HD11 LEU 64 1HD1 LEU 64 -0.039 7.667 -0.278 413 HD12 LEU 64 2HD1 LEU 64 0.105 8.620 -1.754 414 HD13 LEU 64 3HD1 LEU 64 1.095 9.015 -0.349 415 HD21 LEU 64 1HD2 LEU 64 0.492 5.953 -2.556 416 HD22 LEU 64 2HD2 LEU 64 2.151 6.083 -3.141 417 HD23 LEU 64 3HD2 LEU 64 1.010 7.398 -3.424 418 H GLY 65 H GLY 65 2.854 7.177 1.781 419 HA2 GLY 65 1HA GLY 65 4.598 4.801 1.702 420 HA3 GLY 65 2HA GLY 65 3.836 5.444 3.149 421 H LEU 66 H LEU 66 3.687 3.052 0.861 422 HA LEU 66 HA LEU 66 0.803 2.633 1.276 423 HB2 LEU 66 1HB LEU 66 1.825 2.816 -1.079 424 HB3 LEU 66 2HB LEU 66 2.468 1.205 -0.768 425 HG LEU 66 HG LEU 66 0.031 0.535 -0.314 426 HD11 LEU 66 1HD1 LEU 66 -1.231 2.431 -0.180 427 HD12 LEU 66 2HD1 LEU 66 -1.435 2.058 -1.891 428 HD13 LEU 66 3HD1 LEU 66 -0.276 3.289 -1.389 429 HD21 LEU 66 1HD2 LEU 66 1.610 0.369 -2.504 430 HD22 LEU 66 2HD2 LEU 66 0.226 1.242 -3.162 431 HD23 LEU 66 3HD2 LEU 66 -0.006 -0.328 -2.391 432 H THR 67 H THR 67 0.288 1.161 2.739 433 HA THR 67 HA THR 67 1.949 -1.245 2.993 434 HB THR 67 HB THR 67 1.495 -1.113 5.518 435 HG1 THR 67 1HG THR 67 1.036 1.594 4.753 436 HG21 THR 67 1HG2 THR 67 3.335 1.070 5.149 437 HG22 THR 67 2HG2 THR 67 3.594 -0.166 3.918 438 HG23 THR 67 3HG2 THR 67 3.661 -0.595 5.626 439 H VAL 68 H VAL 68 0.777 -3.048 2.940 440 HA VAL 68 HA VAL 68 -2.119 -2.862 3.005 441 HB VAL 68 HB VAL 68 -0.303 -5.208 2.436 442 HG11 VAL 68 1HG1 VAL 68 -3.084 -5.136 3.086 443 HG12 VAL 68 2HG1 VAL 68 -2.892 -5.628 1.403 444 HG13 VAL 68 3HG1 VAL 68 -2.073 -6.523 2.683 445 HG21 VAL 68 1HG2 VAL 68 -0.795 -3.033 0.862 446 HG22 VAL 68 2HG2 VAL 68 -0.338 -4.630 0.268 447 HG23 VAL 68 3HG2 VAL 68 -2.037 -4.162 0.321 448 H GLU 69 H GLU 69 -3.166 -3.018 4.870 449 HA GLU 69 HA GLU 69 -1.955 -4.442 7.108 450 HB2 GLU 69 1HB GLU 69 -4.087 -2.394 6.802 451 HB3 GLU 69 2HB GLU 69 -4.225 -3.497 8.163 452 HG2 GLU 69 1HG GLU 69 -1.688 -2.812 8.492 453 HG3 GLU 69 2HG GLU 69 -2.232 -1.372 7.633 454 H GLY 70 H GLY 70 -3.004 -5.913 4.814 455 HA2 GLY 70 1HA GLY 70 -5.533 -7.033 5.369 456 HA3 GLY 70 2HA GLY 70 -4.289 -7.761 4.364 457 HA PRO 71 HA PRO 71 -4.942 -10.188 8.354 458 HB2 PRO 71 1HB PRO 71 -5.852 -12.468 7.195 459 HB3 PRO 71 2HB PRO 71 -6.921 -11.155 7.702 460 HG2 PRO 71 1HG PRO 71 -5.862 -11.791 4.975 461 HG3 PRO 71 2HG PRO 71 -7.499 -11.305 5.454 462 HD2 PRO 71 1HD PRO 71 -5.720 -9.570 4.378 463 HD3 PRO 71 2HD PRO 71 -6.937 -9.073 5.571 464 H CYS 72 H CYS 72 -3.344 -10.554 5.332 465 HA CYS 72 HA CYS 72 -1.291 -12.193 6.624 466 HB2 CYS 72 1HB CYS 72 -2.983 -13.494 5.079 467 HB3 CYS 72 2HB CYS 72 -2.010 -12.806 3.785 468 HG CYS 72 HG CYS 72 0.168 -14.238 4.147 469 H GLU 73 H GLU 73 0.670 -12.366 5.033 470 HA GLU 73 HA GLU 73 1.389 -9.640 4.383 471 HB2 GLU 73 1HB GLU 73 2.923 -11.249 5.567 472 HB3 GLU 73 2HB GLU 73 3.059 -12.135 4.054 473 HG2 GLU 73 1HG GLU 73 3.947 -10.089 2.986 474 HG3 GLU 73 2HG GLU 73 3.907 -9.292 4.558 475 H ALA 74 H ALA 74 0.759 -8.845 2.487 476 HA ALA 74 HA ALA 74 0.855 -10.597 0.121 477 HB1 ALA 74 1HB ALA 74 -1.087 -8.658 1.053 478 HB2 ALA 74 2HB ALA 74 -0.574 -8.341 -0.605 479 HB3 ALA 74 3HB ALA 74 -1.244 -9.915 -0.175 480 H LYS 75 H LYS 75 2.022 -10.014 -1.646 481 HA LYS 75 HA LYS 75 4.127 -8.139 -1.313 482 HB2 LYS 75 1HB LYS 75 3.962 -10.297 -2.798 483 HB3 LYS 75 2HB LYS 75 3.332 -9.183 -4.004 484 HG2 LYS 75 1HG LYS 75 5.332 -8.025 -4.168 485 HG3 LYS 75 2HG LYS 75 5.907 -8.601 -2.601 486 HD2 LYS 75 1HD LYS 75 6.602 -10.610 -3.442 487 HD3 LYS 75 2HD LYS 75 5.384 -10.619 -4.720 488 HE2 LYS 75 1HE LYS 75 6.687 -8.714 -5.772 489 HE3 LYS 75 2HE LYS 75 7.969 -9.083 -4.621 490 HZ1 LYS 75 1HZ LYS 75 6.834 -11.094 -6.478 491 HZ2 LYS 75 2HZ LYS 75 8.236 -11.229 -5.542 492 HZ3 LYS 75 3HZ LYS 75 8.193 -10.157 -6.850 493 H ILE 76 H ILE 76 4.562 -6.260 -2.596 494 HA ILE 76 HA ILE 76 2.222 -5.019 -3.857 495 HB ILE 76 HB ILE 76 3.996 -3.580 -1.882 496 HG12 ILE 76 1HG1 ILE 76 1.081 -4.283 -1.540 497 HG13 ILE 76 2HG1 ILE 76 2.379 -5.302 -0.927 498 HG21 ILE 76 1HG2 ILE 76 2.190 -2.677 -3.926 499 HG22 ILE 76 2HG2 ILE 76 1.621 -2.172 -2.336 500 HG23 ILE 76 3HG2 ILE 76 3.245 -1.738 -2.870 501 HD11 ILE 76 1HD1 ILE 76 1.160 -3.303 0.453 502 HD12 ILE 76 2HD1 ILE 76 2.754 -3.963 0.816 503 HD13 ILE 76 3HD1 ILE 76 2.607 -2.497 -0.152 504 H GLU 77 H GLU 77 2.833 -4.690 -5.891 505 HA GLU 77 HA GLU 77 5.604 -3.896 -6.441 506 HB2 GLU 77 1HB GLU 77 3.460 -4.947 -8.295 507 HB3 GLU 77 2HB GLU 77 5.088 -4.504 -8.788 508 HG2 GLU 77 1HG GLU 77 6.020 -6.249 -7.398 509 HG3 GLU 77 2HG GLU 77 4.413 -6.662 -6.803 510 H CYS 78 H CYS 78 5.728 -1.728 -6.237 511 HA CYS 78 HA CYS 78 3.641 -0.052 -7.406 512 HB2 CYS 78 1HB CYS 78 4.760 1.803 -6.253 513 HB3 CYS 78 2HB CYS 78 4.391 0.493 -5.138 514 HG CYS 78 HG CYS 78 7.098 1.994 -5.186 515 H SER 79 H SER 79 3.842 0.766 -9.374 516 HA SER 79 HA SER 79 6.524 1.333 -10.422 517 HB2 SER 79 1HB SER 79 5.585 -0.897 -11.263 518 HB3 SER 79 2HB SER 79 4.394 0.063 -12.141 519 HG SER 79 HG SER 79 7.218 0.227 -12.398 520 H ASP 80 H ASP 80 6.677 3.303 -11.266 521 HA ASP 80 HA ASP 80 4.292 4.930 -11.509 522 HB2 ASP 80 1HB ASP 80 5.898 6.776 -11.939 523 HB3 ASP 80 2HB ASP 80 6.228 5.918 -10.436 524 H ASN 81 H ASN 81 3.754 6.146 -13.397 525 HA ASN 81 HA ASN 81 4.239 4.643 -15.840 526 HB2 ASN 81 1HB ASN 81 2.341 6.892 -15.156 527 HB3 ASN 81 2HB ASN 81 2.497 6.226 -16.779 528 HD21 ASN 81 1HD2 ASN 81 1.747 5.388 -13.441 529 HD22 ASN 81 2HD2 ASN 81 0.692 4.073 -13.819 530 H GLY 82 H GLY 82 4.678 7.931 -14.589 531 HA2 GLY 82 1HA GLY 82 6.735 9.096 -15.180 532 HA3 GLY 82 2HA GLY 82 6.600 8.390 -16.784 533 H ASP 83 H ASP 83 3.589 8.980 -16.543 534 HA ASP 83 HA ASP 83 3.790 11.654 -17.683 535 HB2 ASP 83 1HB ASP 83 1.735 9.479 -17.738 536 HB3 ASP 83 2HB ASP 83 1.238 11.135 -18.076 537 H GLY 84 H GLY 84 2.804 10.111 -14.781 538 HA2 GLY 84 1HA GLY 84 2.658 11.899 -12.957 539 HA3 GLY 84 2HA GLY 84 1.337 12.524 -13.932 540 H THR 85 H THR 85 1.912 9.100 -13.582 541 HA THR 85 HA THR 85 -0.256 8.884 -11.623 542 HB THR 85 HB THR 85 -1.184 6.942 -12.988 543 HG1 THR 85 1HG THR 85 -0.115 8.214 -15.251 544 HG21 THR 85 1HG2 THR 85 -2.765 8.312 -13.904 545 HG22 THR 85 2HG2 THR 85 -1.572 9.431 -14.564 546 HG23 THR 85 3HG2 THR 85 -1.971 9.478 -12.847 547 H CYS 86 H CYS 86 -0.471 6.607 -10.801 548 HA CYS 86 HA CYS 86 2.059 5.125 -10.930 549 HB2 CYS 86 1HB CYS 86 0.591 5.879 -8.395 550 HB3 CYS 86 2HB CYS 86 1.952 4.767 -8.474 551 HG CYS 86 HG CYS 86 2.248 7.989 -9.553 552 H SER 87 H SER 87 1.794 3.003 -11.204 553 HA SER 87 HA SER 87 -0.900 1.889 -10.778 554 HB2 SER 87 1HB SER 87 1.190 1.359 -12.867 555 HB3 SER 87 2HB SER 87 0.005 0.115 -12.470 556 HG SER 87 HG SER 87 -0.341 2.058 -14.131 557 H VAL 88 H VAL 88 -0.653 1.170 -8.686 558 HA VAL 88 HA VAL 88 1.580 -0.610 -8.066 559 HB VAL 88 HB VAL 88 -0.601 0.459 -6.268 560 HG11 VAL 88 1HG1 VAL 88 1.227 -0.277 -4.533 561 HG12 VAL 88 2HG1 VAL 88 0.059 -1.442 -5.161 562 HG13 VAL 88 3HG1 VAL 88 1.695 -1.388 -5.820 563 HG21 VAL 88 1HG2 VAL 88 0.865 2.104 -5.547 564 HG22 VAL 88 2HG2 VAL 88 2.283 1.254 -6.159 565 HG23 VAL 88 3HG2 VAL 88 1.178 2.047 -7.281 566 H SER 89 H SER 89 1.384 -2.734 -8.250 567 HA SER 89 HA SER 89 -1.318 -3.909 -8.185 568 HB2 SER 89 1HB SER 89 -0.241 -5.789 -9.526 569 HB3 SER 89 2HB SER 89 -0.423 -4.248 -10.364 570 HG SER 89 HG SER 89 1.782 -3.820 -9.832 571 H TYR 90 H TYR 90 -1.760 -5.368 -6.661 572 HA TYR 90 HA TYR 90 0.491 -6.492 -5.124 573 HB2 TYR 90 1HB TYR 90 -0.850 -6.400 -3.131 574 HB3 TYR 90 2HB TYR 90 -0.882 -4.807 -3.880 575 HD1 TYR 90 2HD TYR 90 -2.840 -7.856 -3.220 576 HD2 TYR 90 1HD TYR 90 -2.922 -3.878 -4.728 577 HE1 TYR 90 2HE TYR 90 -5.299 -7.907 -3.207 578 HE2 TYR 90 1HE TYR 90 -5.381 -3.918 -4.717 579 HH TYR 90 HH TYR 90 -7.201 -5.043 -3.906 580 H LEU 91 H LEU 91 -0.130 -8.537 -3.940 581 HA LEU 91 HA LEU 91 -2.084 -10.142 -5.426 582 HB2 LEU 91 1HB LEU 91 0.835 -10.586 -5.194 583 HB3 LEU 91 2HB LEU 91 -0.204 -12.002 -5.047 584 HG LEU 91 HG LEU 91 -0.595 -10.196 -7.383 585 HD11 LEU 91 1HD1 LEU 91 1.189 -11.074 -8.614 586 HD12 LEU 91 2HD1 LEU 91 1.515 -12.330 -7.419 587 HD13 LEU 91 3HD1 LEU 91 1.897 -10.647 -7.056 588 HD21 LEU 91 1HD2 LEU 91 -0.505 -13.089 -7.737 589 HD22 LEU 91 2HD2 LEU 91 -1.752 -11.928 -8.192 590 HD23 LEU 91 3HD2 LEU 91 -1.699 -12.566 -6.548 591 HA PRO 92 HA PRO 92 -2.996 -10.879 -1.073 592 HB2 PRO 92 1HB PRO 92 -5.445 -11.951 -1.544 593 HB3 PRO 92 2HB PRO 92 -5.147 -10.209 -1.527 594 HG2 PRO 92 1HG PRO 92 -5.373 -12.069 -3.861 595 HG3 PRO 92 2HG PRO 92 -6.052 -10.443 -3.655 596 HD2 PRO 92 1HD PRO 92 -3.805 -10.912 -5.091 597 HD3 PRO 92 2HD PRO 92 -4.062 -9.408 -4.183 598 H THR 93 H THR 93 -3.219 -12.753 0.206 599 HA THR 93 HA THR 93 -2.358 -15.205 -1.148 600 HB THR 93 HB THR 93 -1.728 -16.011 1.097 601 HG1 THR 93 1HG THR 93 -2.638 -13.436 1.917 602 HG21 THR 93 1HG2 THR 93 -0.545 -13.835 -0.333 603 HG22 THR 93 2HG2 THR 93 0.244 -15.095 0.615 604 HG23 THR 93 3HG2 THR 93 -0.280 -13.603 1.395 605 H LYS 94 H LYS 94 -4.744 -14.050 1.209 606 HA LYS 94 HA LYS 94 -6.368 -16.431 0.596 607 HB2 LYS 94 1HB LYS 94 -7.110 -16.562 2.854 608 HB3 LYS 94 2HB LYS 94 -5.357 -16.431 2.908 609 HG2 LYS 94 1HG LYS 94 -5.504 -14.099 3.497 610 HG3 LYS 94 2HG LYS 94 -7.259 -14.133 3.317 611 HD2 LYS 94 1HD LYS 94 -5.949 -16.036 5.206 612 HD3 LYS 94 2HD LYS 94 -6.154 -14.350 5.685 613 HE2 LYS 94 1HE LYS 94 -8.492 -15.778 4.530 614 HE3 LYS 94 2HE LYS 94 -8.003 -16.182 6.175 615 HZ1 LYS 94 1HZ LYS 94 -9.248 -13.781 5.159 616 HZ2 LYS 94 2HZ LYS 94 -7.972 -13.501 6.233 617 HZ3 LYS 94 3HZ LYS 94 -9.289 -14.449 6.713 618 HA PRO 95 HA PRO 95 -9.568 -13.653 -0.573 619 HB2 PRO 95 1HB PRO 95 -11.740 -15.208 -0.090 620 HB3 PRO 95 2HB PRO 95 -10.646 -15.482 -1.450 621 HG2 PRO 95 1HG PRO 95 -10.748 -16.860 1.206 622 HG3 PRO 95 2HG PRO 95 -10.526 -17.558 -0.409 623 HD2 PRO 95 1HD PRO 95 -8.461 -17.131 1.290 624 HD3 PRO 95 2HD PRO 95 -8.286 -17.017 -0.473 625 H GLY 96 H GLY 96 -9.615 -11.954 0.855 626 HA2 GLY 96 1HA GLY 96 -11.658 -12.067 2.908 627 HA3 GLY 96 2HA GLY 96 -10.026 -11.814 3.511 628 H GLU 97 H GLU 97 -9.342 -9.783 3.678 629 HA GLU 97 HA GLU 97 -10.266 -7.748 1.831 630 HB2 GLU 97 1HB GLU 97 -11.139 -6.261 3.524 631 HB3 GLU 97 2HB GLU 97 -12.002 -7.791 3.600 632 HG2 GLU 97 1HG GLU 97 -9.717 -7.058 5.412 633 HG3 GLU 97 2HG GLU 97 -11.417 -6.816 5.811 634 H TYR 98 H TYR 98 -8.716 -6.287 1.443 635 HA TYR 98 HA TYR 98 -6.428 -6.194 3.299 636 HB2 TYR 98 1HB TYR 98 -6.411 -5.878 0.290 637 HB3 TYR 98 2HB TYR 98 -5.006 -5.716 1.337 638 HD1 TYR 98 1HD TYR 98 -7.672 -8.162 0.423 639 HD2 TYR 98 2HD TYR 98 -3.669 -7.570 1.737 640 HE1 TYR 98 1HE TYR 98 -7.257 -10.578 0.228 641 HE2 TYR 98 2HE TYR 98 -3.242 -9.984 1.544 642 HH TYR 98 HH TYR 98 -5.398 -12.234 1.506 643 H PHE 99 H PHE 99 -6.184 -4.307 4.274 644 HA PHE 99 HA PHE 99 -7.495 -1.939 3.189 645 HB2 PHE 99 1HB PHE 99 -6.176 -2.492 5.852 646 HB3 PHE 99 2HB PHE 99 -6.843 -0.926 5.402 647 HD1 PHE 99 2HD PHE 99 -7.803 -4.513 5.671 648 HD2 PHE 99 1HD PHE 99 -9.042 -0.447 5.902 649 HE1 PHE 99 2HE PHE 99 -10.019 -5.236 6.460 650 HE2 PHE 99 1HE PHE 99 -11.259 -1.164 6.692 651 HZ PHE 99 HZ PHE 99 -11.750 -3.561 6.971 652 H VAL 100 H VAL 100 -6.323 -0.924 1.681 653 HA VAL 100 HA VAL 100 -3.442 -0.839 1.787 654 HB VAL 100 HB VAL 100 -5.308 0.619 -0.089 655 HG11 VAL 100 1HG1 VAL 100 -2.789 -0.030 -1.236 656 HG12 VAL 100 2HG1 VAL 100 -3.487 1.563 -0.937 657 HG13 VAL 100 3HG1 VAL 100 -2.505 0.782 0.303 658 HG21 VAL 100 1HG2 VAL 100 -3.836 -1.743 -1.037 659 HG22 VAL 100 2HG2 VAL 100 -5.122 -2.075 0.124 660 HG23 VAL 100 3HG2 VAL 100 -5.487 -1.221 -1.375 661 H ASN 101 H ASN 101 -2.497 0.470 3.214 662 HA ASN 101 HA ASN 101 -3.741 2.928 4.073 663 HB2 ASN 101 1HB ASN 101 -1.095 1.638 4.760 664 HB3 ASN 101 2HB ASN 101 -1.655 3.152 5.464 665 HD21 ASN 101 1HD2 ASN 101 -2.530 -0.239 5.035 666 HD22 ASN 101 2HD2 ASN 101 -3.405 -0.385 6.518 667 H ILE 102 H ILE 102 -3.689 4.615 2.735 668 HA ILE 102 HA ILE 102 -1.206 5.153 1.246 669 HB ILE 102 HB ILE 102 -3.999 6.145 0.662 670 HG12 ILE 102 1HG1 ILE 102 -2.307 4.114 -0.811 671 HG13 ILE 102 2HG1 ILE 102 -3.671 3.724 0.232 672 HG21 ILE 102 1HG2 ILE 102 -3.109 7.122 -1.323 673 HG22 ILE 102 2HG2 ILE 102 -2.127 7.679 0.031 674 HG23 ILE 102 3HG2 ILE 102 -1.523 6.408 -1.031 675 HD11 ILE 102 1HD1 ILE 102 -3.633 4.532 -2.535 676 HD12 ILE 102 2HD1 ILE 102 -4.936 3.821 -1.582 677 HD13 ILE 102 3HD1 ILE 102 -4.686 5.567 -1.571 678 H LEU 103 H LEU 103 0.019 6.602 2.256 679 HA LEU 103 HA LEU 103 -1.270 9.032 3.292 680 HB2 LEU 103 1HB LEU 103 0.774 8.905 4.972 681 HB3 LEU 103 2HB LEU 103 -0.781 8.151 5.318 682 HG LEU 103 HG LEU 103 0.416 6.074 4.155 683 HD11 LEU 103 1HD1 LEU 103 2.690 7.591 5.426 684 HD12 LEU 103 2HD1 LEU 103 2.480 7.323 3.696 685 HD13 LEU 103 3HD1 LEU 103 2.756 5.954 4.773 686 HD21 LEU 103 1HD2 LEU 103 0.115 5.221 6.184 687 HD22 LEU 103 2HD2 LEU 103 -0.265 6.849 6.746 688 HD23 LEU 103 3HD2 LEU 103 1.386 6.238 6.864 689 H PHE 104 H PHE 104 -0.361 10.886 2.642 690 HA PHE 104 HA PHE 104 2.131 10.704 1.098 691 HB2 PHE 104 1HB PHE 104 -0.118 11.661 0.162 692 HB3 PHE 104 2HB PHE 104 0.333 13.103 1.066 693 HD1 PHE 104 1HD PHE 104 2.390 10.704 -0.904 694 HD2 PHE 104 2HD PHE 104 0.985 14.697 -0.463 695 HE1 PHE 104 1HE PHE 104 3.834 11.414 -2.765 696 HE2 PHE 104 2HE PHE 104 2.426 15.414 -2.324 697 HZ PHE 104 HZ PHE 104 3.853 13.771 -3.479 698 H GLU 105 H GLU 105 3.860 11.163 2.297 699 HA GLU 105 HA GLU 105 5.298 12.244 3.689 700 HB2 GLU 105 1HB GLU 105 3.427 14.494 2.982 701 HB3 GLU 105 2HB GLU 105 4.801 14.736 4.051 702 HG2 GLU 105 1HG GLU 105 6.087 13.576 2.048 703 HG3 GLU 105 2HG GLU 105 4.729 14.228 1.134 704 H GLU 106 H GLU 106 3.522 10.647 4.978 705 HA GLU 106 HA GLU 106 2.802 10.172 7.087 706 HB2 GLU 106 1HB GLU 106 3.726 12.934 7.879 707 HB3 GLU 106 2HB GLU 106 3.476 11.547 8.931 708 HG2 GLU 106 1HG GLU 106 5.309 10.409 7.564 709 HG3 GLU 106 2HG GLU 106 5.672 12.021 6.950 710 H VAL 107 H VAL 107 1.144 11.520 5.074 711 HA VAL 107 HA VAL 107 -0.924 12.548 6.895 712 HB VAL 107 HB VAL 107 -0.448 13.681 4.140 713 HG11 VAL 107 1HG1 VAL 107 -2.400 14.157 6.324 714 HG12 VAL 107 2HG1 VAL 107 -1.846 15.554 5.398 715 HG13 VAL 107 3HG1 VAL 107 -2.623 14.200 4.575 716 HG21 VAL 107 1HG2 VAL 107 0.809 15.400 4.988 717 HG22 VAL 107 2HG2 VAL 107 0.144 15.233 6.613 718 HG23 VAL 107 3HG2 VAL 107 1.342 14.078 6.027 719 H HIS 108 H HIS 108 -2.395 10.963 6.871 720 HA HIS 108 HA HIS 108 -2.846 9.144 4.800 721 HB2 HIS 108 1HB HIS 108 -4.319 9.966 7.250 722 HB3 HIS 108 2HB HIS 108 -5.217 9.061 6.035 723 HD1 HIS 108 1HD HIS 108 -4.980 6.588 6.116 724 HD2 HIS 108 2HD HIS 108 -1.923 8.521 8.161 725 HE1 HIS 108 1HE HIS 108 -3.658 4.763 7.232 726 HE2 HIS 108 2HE HIS 108 -1.865 5.962 8.533 727 H ILE 109 H ILE 109 -3.826 9.321 2.899 728 HA ILE 109 HA ILE 109 -5.004 11.784 2.068 729 HB ILE 109 HB ILE 109 -5.417 10.680 -0.063 730 HG12 ILE 109 1HG1 ILE 109 -4.206 8.132 0.911 731 HG13 ILE 109 2HG1 ILE 109 -5.905 8.429 1.261 732 HG21 ILE 109 1HG2 ILE 109 -3.243 11.496 0.060 733 HG22 ILE 109 2HG2 ILE 109 -2.750 10.281 1.238 734 HG23 ILE 109 3HG2 ILE 109 -3.017 9.821 -0.443 735 HD11 ILE 109 1HD1 ILE 109 -4.639 8.392 -1.469 736 HD12 ILE 109 2HD1 ILE 109 -5.649 7.128 -0.764 737 HD13 ILE 109 3HD1 ILE 109 -6.340 8.710 -1.127 738 HA PRO 110 HA PRO 110 -9.241 11.137 3.028 739 HB2 PRO 110 1HB PRO 110 -10.432 12.464 0.981 740 HB3 PRO 110 2HB PRO 110 -9.601 13.288 2.305 741 HG2 PRO 110 1HG PRO 110 -8.617 12.666 -0.452 742 HG3 PRO 110 2HG PRO 110 -8.433 14.156 0.492 743 HD2 PRO 110 1HD PRO 110 -6.455 12.320 0.265 744 HD3 PRO 110 2HD PRO 110 -6.679 13.307 1.724 745 H GLY 111 H GLY 111 -9.047 8.794 2.589 746 HA2 GLY 111 1HA GLY 111 -11.072 7.705 1.171 747 HA3 GLY 111 2HA GLY 111 -9.804 7.848 -0.037 748 H SER 112 H SER 112 -7.887 7.438 2.372 749 HA SER 112 HA SER 112 -7.993 4.504 2.238 750 HB2 SER 112 1HB SER 112 -5.878 4.905 1.503 751 HB3 SER 112 2HB SER 112 -5.798 6.486 2.279 752 HG SER 112 HG SER 112 -5.335 5.483 4.221 753 HA PRO 113 HA PRO 113 -6.443 3.006 3.325 754 HB2 PRO 113 1HB PRO 113 -7.418 0.792 4.557 755 HB3 PRO 113 2HB PRO 113 -6.014 1.684 5.154 756 HG2 PRO 113 1HG PRO 113 -8.861 1.800 6.071 757 HG3 PRO 113 2HG PRO 113 -7.375 1.763 7.038 758 HD2 PRO 113 1HD PRO 113 -8.742 4.050 6.554 759 HD3 PRO 113 2HD PRO 113 -6.977 4.014 6.741 760 H PHE 114 H PHE 114 -7.214 1.529 1.751 761 HA PHE 114 HA PHE 114 -10.074 1.852 1.156 762 HB2 PHE 114 1HB PHE 114 -7.663 1.386 -0.580 763 HB3 PHE 114 2HB PHE 114 -9.285 1.040 -1.172 764 HD1 PHE 114 1HD PHE 114 -7.057 3.702 0.072 765 HD2 PHE 114 2HD PHE 114 -10.736 2.774 -1.857 766 HE1 PHE 114 1HE PHE 114 -7.332 6.070 -0.537 767 HE2 PHE 114 2HE PHE 114 -11.016 5.140 -2.470 768 HZ PHE 114 HZ PHE 114 -9.312 6.792 -1.811 769 H LYS 115 H LYS 115 -10.953 0.178 2.330 770 HA LYS 115 HA LYS 115 -9.948 -2.421 2.528 771 HB2 LYS 115 1HB LYS 115 -11.698 -1.557 4.004 772 HB3 LYS 115 2HB LYS 115 -12.820 -1.479 2.652 773 HG2 LYS 115 1HG LYS 115 -12.885 -3.849 2.465 774 HG3 LYS 115 2HG LYS 115 -11.552 -4.034 3.607 775 HD2 LYS 115 1HD LYS 115 -13.487 -4.522 4.848 776 HD3 LYS 115 2HD LYS 115 -13.063 -2.870 5.301 777 HE2 LYS 115 1HE LYS 115 -14.782 -1.957 3.976 778 HE3 LYS 115 2HE LYS 115 -15.025 -3.471 3.106 779 HZ1 LYS 115 1HZ LYS 115 -15.663 -4.387 5.398 780 HZ2 LYS 115 2HZ LYS 115 -16.781 -3.410 4.588 781 HZ3 LYS 115 3HZ LYS 115 -15.852 -2.767 5.847 782 H ALA 116 H ALA 116 -9.523 -3.746 0.893 783 HA ALA 116 HA ALA 116 -11.287 -3.727 -1.457 784 HB1 ALA 116 1HB ALA 116 -9.442 -3.880 -2.677 785 HB2 ALA 116 2HB ALA 116 -8.487 -3.776 -1.198 786 HB3 ALA 116 3HB ALA 116 -8.963 -5.352 -1.831 787 H ASP 117 H ASP 117 -12.882 -5.168 -1.261 788 HA ASP 117 HA ASP 117 -12.639 -7.560 0.291 789 HB2 ASP 117 1HB ASP 117 -14.760 -6.130 -0.250 790 HB3 ASP 117 2HB ASP 117 -14.830 -7.115 -1.709 791 H ILE 118 H ILE 118 -11.483 -9.240 -0.376 792 HA ILE 118 HA ILE 118 -11.202 -9.780 -3.231 793 HB ILE 118 HB ILE 118 -9.834 -11.065 -0.864 794 HG12 ILE 118 1HG1 ILE 118 -9.184 -8.724 -1.190 795 HG13 ILE 118 2HG1 ILE 118 -7.860 -9.803 -1.615 796 HG21 ILE 118 1HG2 ILE 118 -9.707 -11.561 -3.801 797 HG22 ILE 118 2HG2 ILE 118 -8.252 -11.767 -2.828 798 HG23 ILE 118 3HG2 ILE 118 -9.697 -12.710 -2.463 799 HD11 ILE 118 1HD1 ILE 118 -9.227 -9.432 -3.993 800 HD12 ILE 118 2HD1 ILE 118 -9.235 -7.845 -3.222 801 HD13 ILE 118 3HD1 ILE 118 -7.707 -8.677 -3.513 802 H GLU 119 H GLU 119 -12.069 -11.496 -4.255 803 HA GLU 119 HA GLU 119 -13.682 -13.353 -2.633 804 HB2 GLU 119 1HB GLU 119 -14.115 -12.473 -5.493 805 HB3 GLU 119 2HB GLU 119 -15.110 -13.631 -4.623 806 HG2 GLU 119 1HG GLU 119 -15.732 -11.885 -3.023 807 HG3 GLU 119 2HG GLU 119 -14.753 -10.726 -3.921 808 H MET 120 H MET 120 -14.032 -15.512 -3.721 809 HA MET 120 HA MET 120 -11.444 -16.584 -4.443 810 HB2 MET 120 1HB MET 120 -14.123 -17.903 -3.986 811 HB3 MET 120 2HB MET 120 -12.648 -18.780 -4.368 812 HG2 MET 120 1HG MET 120 -11.638 -18.165 -2.327 813 HG3 MET 120 2HG MET 120 -12.880 -16.960 -1.994 814 HE1 MET 120 1HE MET 120 -12.346 -18.116 0.193 815 HE2 MET 120 2HE MET 120 -13.622 -19.129 0.870 816 HE3 MET 120 3HE MET 120 -12.159 -19.870 0.218 817 HA PRO 121 HA PRO 121 -12.085 -16.558 -8.802 818 HB2 PRO 121 1HB PRO 121 -10.296 -18.481 -9.491 819 HB3 PRO 121 2HB PRO 121 -9.814 -16.859 -8.981 820 HG2 PRO 121 1HG PRO 121 -9.893 -19.397 -7.396 821 HG3 PRO 121 2HG PRO 121 -8.647 -18.136 -7.427 822 HD2 PRO 121 1HD PRO 121 -10.494 -18.310 -5.456 823 HD3 PRO 121 2HD PRO 121 -9.826 -16.759 -6.004 824 H PHE 122 H PHE 122 -12.902 -17.852 -10.525 825 HA PHE 122 HA PHE 122 -13.772 -20.558 -9.932 826 HB2 PHE 122 1HB PHE 122 -15.572 -19.022 -9.070 827 HB3 PHE 122 2HB PHE 122 -15.804 -18.467 -10.724 828 HD1 PHE 122 2HD PHE 122 -15.758 -21.586 -8.694 829 HD2 PHE 122 1HD PHE 122 -17.335 -19.538 -12.075 830 HE1 PHE 122 2HE PHE 122 -17.310 -23.452 -9.096 831 HE2 PHE 122 1HE PHE 122 -18.890 -21.401 -12.482 832 HZ PHE 122 HZ PHE 122 -18.878 -23.362 -10.992 833 H ASP 123 H ASP 123 -14.977 -21.483 -11.884 834 HA ASP 123 HA ASP 123 -13.386 -20.908 -14.226 835 HB2 ASP 123 1HB ASP 123 -15.449 -23.002 -13.566 836 HB3 ASP 123 2HB ASP 123 -14.794 -22.826 -15.192 837 HA PRO 124 HA PRO 124 -16.260 -18.253 -16.240 838 HB2 PRO 124 1HB PRO 124 -15.469 -18.636 -18.809 839 HB3 PRO 124 2HB PRO 124 -14.529 -17.696 -17.645 840 HG2 PRO 124 1HG PRO 124 -14.159 -20.532 -18.528 841 HG3 PRO 124 2HG PRO 124 -12.938 -19.272 -18.272 842 HD2 PRO 124 1HD PRO 124 -13.433 -21.213 -16.450 843 HD3 PRO 124 2HD PRO 124 -12.920 -19.577 -15.987 844 H SER 125 H SER 125 -15.764 -21.362 -17.927 845 HA SER 125 HA SER 125 -18.606 -21.369 -18.650 846 HB2 SER 125 1HB SER 125 -16.179 -22.754 -19.747 847 HB3 SER 125 2HB SER 125 -17.784 -23.413 -20.057 848 HG SER 125 HG SER 125 -18.296 -21.673 -21.229 849 H SER 126 H SER 126 -19.975 -23.047 -18.114 850 HA SER 126 HA SER 126 -19.015 -24.786 -15.947 851 HB2 SER 126 1HB SER 126 -20.854 -23.293 -15.320 852 HB3 SER 126 2HB SER 126 -21.836 -23.929 -16.640 853 HG SER 126 HG SER 126 -21.923 -25.895 -15.610 854 H GLY 127 H GLY 127 -18.701 -26.855 -16.406 855 HA2 GLY 127 1HA GLY 127 -18.896 -28.923 -17.382 856 HA3 GLY 127 2HA GLY 127 -20.552 -28.480 -17.767 857 HA PRO 128 HA PRO 128 -17.593 -27.316 -21.465 858 HB2 PRO 128 1HB PRO 128 -15.443 -28.961 -21.659 859 HB3 PRO 128 2HB PRO 128 -15.401 -27.424 -20.788 860 HG2 PRO 128 1HG PRO 128 -15.731 -30.199 -19.716 861 HG3 PRO 128 2HG PRO 128 -14.739 -28.869 -19.090 862 HD2 PRO 128 1HD PRO 128 -17.148 -29.512 -18.033 863 HD3 PRO 128 2HD PRO 128 -16.532 -27.847 -18.065 864 H SER 129 H SER 129 -19.022 -30.069 -20.351 865 HA SER 129 HA SER 129 -18.671 -32.167 -21.960 866 HB2 SER 129 1HB SER 129 -20.480 -32.194 -20.387 867 HB3 SER 129 2HB SER 129 -21.313 -30.890 -21.232 868 HG SER 129 HG SER 129 -22.269 -32.417 -22.297 869 H SER 130 H SER 130 -18.967 -32.789 -24.046 870 HA SER 130 HA SER 130 -19.218 -30.689 -26.009 871 HB2 SER 130 1HB SER 130 -18.463 -33.576 -26.050 872 HB3 SER 130 2HB SER 130 -19.024 -32.844 -27.553 873 HG SER 130 HG SER 130 -16.637 -32.765 -26.823 874 H GLY 131 H GLY 131 -21.124 -30.005 -26.714 875 HA2 GLY 131 1HA GLY 131 -23.018 -31.376 -28.067 876 HA3 GLY 131 2HA GLY 131 -23.500 -31.623 -26.395 Start of MODEL 10 1 H1 GLY 1 H GLY 1 13.710 16.705 28.348 2 HA2 GLY 1 1HA GLY 1 15.560 16.560 26.762 3 HA3 GLY 1 2HA GLY 1 14.114 17.070 25.902 4 H SER 2 H SER 2 15.998 17.821 24.475 5 HA SER 2 HA SER 2 17.274 20.271 25.341 6 HB2 SER 2 1HB SER 2 18.353 20.232 23.129 7 HB3 SER 2 2HB SER 2 18.519 18.678 23.944 8 HG SER 2 HG SER 2 16.974 17.820 22.620 9 H SER 3 H SER 3 15.448 21.610 25.668 10 HA SER 3 HA SER 3 14.372 22.712 23.167 11 HB2 SER 3 1HB SER 3 12.756 22.061 25.644 12 HB3 SER 3 2HB SER 3 12.153 22.979 24.264 13 HG SER 3 HG SER 3 11.796 21.161 23.295 14 H GLY 4 H GLY 4 14.402 24.881 23.061 15 HA2 GLY 4 1HA GLY 4 14.409 26.492 25.475 16 HA3 GLY 4 2HA GLY 4 15.908 26.521 24.558 17 H SER 5 H SER 5 12.401 26.853 24.008 18 HA SER 5 HA SER 5 12.600 29.449 22.933 19 HB2 SER 5 1HB SER 5 12.353 29.102 20.597 20 HB3 SER 5 2HB SER 5 13.680 28.049 21.089 21 HG SER 5 HG SER 5 10.977 27.236 20.772 22 H SER 6 H SER 6 10.587 30.362 22.532 23 HA SER 6 HA SER 6 8.228 28.659 22.570 24 HB2 SER 6 1HB SER 6 8.887 30.651 24.738 25 HB3 SER 6 2HB SER 6 7.236 30.122 24.418 26 HG SER 6 HG SER 6 9.212 28.172 24.739 27 H GLY 7 H GLY 7 6.260 29.811 22.032 28 HA2 GLY 7 1HA GLY 7 5.174 31.868 21.355 29 HA3 GLY 7 2HA GLY 7 6.735 32.445 20.793 30 H ASP 8 H ASP 8 4.366 32.450 19.250 31 HA ASP 8 HA ASP 8 5.292 30.850 16.999 32 HB2 ASP 8 1HB ASP 8 3.417 29.669 18.431 33 HB3 ASP 8 2HB ASP 8 2.356 30.776 17.563 34 H VAL 9 H VAL 9 5.511 32.243 15.389 35 HA VAL 9 HA VAL 9 4.712 34.834 15.242 36 HB VAL 9 HB VAL 9 6.234 33.732 13.620 37 HG11 VAL 9 1HG1 VAL 9 3.988 32.955 11.868 38 HG12 VAL 9 2HG1 VAL 9 5.576 32.214 12.078 39 HG13 VAL 9 3HG1 VAL 9 4.297 31.909 13.254 40 HG21 VAL 9 1HG2 VAL 9 4.001 35.507 12.745 41 HG22 VAL 9 2HG2 VAL 9 5.714 35.873 12.947 42 HG23 VAL 9 3HG2 VAL 9 5.172 34.936 11.556 43 H THR 10 H THR 10 2.968 35.994 14.498 44 HA THR 10 HA THR 10 0.409 34.879 14.842 45 HB THR 10 HB THR 10 -0.474 36.998 14.015 46 HG1 THR 10 1HG THR 10 2.120 37.217 12.967 47 HG21 THR 10 1HG2 THR 10 0.373 38.388 15.699 48 HG22 THR 10 2HG2 THR 10 1.988 37.687 15.592 49 HG23 THR 10 3HG2 THR 10 0.670 36.759 16.305 50 H TYR 11 H TYR 11 -1.343 35.174 13.097 51 HA TYR 11 HA TYR 11 -1.066 33.293 11.131 52 HB2 TYR 11 1HB TYR 11 -3.258 33.997 11.570 53 HB3 TYR 11 2HB TYR 11 -2.858 35.697 11.346 54 HD1 TYR 11 1HD TYR 11 -2.700 32.548 9.324 55 HD2 TYR 11 2HD TYR 11 -3.735 36.673 9.459 56 HE1 TYR 11 1HE TYR 11 -3.489 32.420 6.998 57 HE2 TYR 11 2HE TYR 11 -4.528 36.556 7.134 58 HH TYR 11 HH TYR 11 -3.800 34.060 5.068 59 H ASP 12 H ASP 12 0.276 33.163 9.473 60 HA ASP 12 HA ASP 12 0.531 35.314 7.586 61 HB2 ASP 12 1HB ASP 12 2.704 34.714 9.529 62 HB3 ASP 12 2HB ASP 12 3.175 35.026 7.860 63 H GLY 13 H GLY 13 1.241 34.623 5.585 64 HA2 GLY 13 1HA GLY 13 2.445 32.013 5.264 65 HA3 GLY 13 2HA GLY 13 0.777 32.106 4.716 66 H HIS 14 H HIS 14 4.008 32.604 3.892 67 HA HIS 14 HA HIS 14 3.206 33.651 1.291 68 HB2 HIS 14 1HB HIS 14 5.403 35.140 1.551 69 HB3 HIS 14 2HB HIS 14 3.815 35.726 2.040 70 HD1 HIS 14 1HD HIS 14 3.939 36.879 4.209 71 HD2 HIS 14 2HD HIS 14 6.613 33.705 4.009 72 HE1 HIS 14 1HE HIS 14 5.110 36.844 6.435 73 HE2 HIS 14 2HE HIS 14 6.782 34.969 6.259 74 HA PRO 15 HA PRO 15 6.174 30.805 -0.243 75 HB2 PRO 15 1HB PRO 15 6.974 32.049 -2.520 76 HB3 PRO 15 2HB PRO 15 5.384 31.296 -2.344 77 HG2 PRO 15 1HG PRO 15 6.152 34.180 -2.101 78 HG3 PRO 15 2HG PRO 15 4.748 33.460 -2.911 79 HD2 PRO 15 1HD PRO 15 4.595 34.582 -0.451 80 HD3 PRO 15 2HD PRO 15 3.582 33.207 -0.938 81 H VAL 16 H VAL 16 8.000 30.592 0.925 82 HA VAL 16 HA VAL 16 9.763 32.372 1.883 83 HB VAL 16 HB VAL 16 11.561 30.671 1.664 84 HG11 VAL 16 1HG1 VAL 16 10.624 29.178 3.193 85 HG12 VAL 16 2HG1 VAL 16 9.668 30.647 3.399 86 HG13 VAL 16 3HG1 VAL 16 9.021 29.295 2.468 87 HG21 VAL 16 1HG2 VAL 16 11.303 28.683 0.476 88 HG22 VAL 16 2HG2 VAL 16 9.558 28.886 0.325 89 HG23 VAL 16 3HG2 VAL 16 10.648 29.902 -0.617 90 HA PRO 17 HA PRO 17 11.693 34.508 -1.448 91 HB2 PRO 17 1HB PRO 17 13.971 35.294 -0.198 92 HB3 PRO 17 2HB PRO 17 12.395 36.024 0.129 93 HG2 PRO 17 1HG PRO 17 13.868 33.929 1.678 94 HG3 PRO 17 2HG PRO 17 12.977 35.342 2.274 95 HD2 PRO 17 1HD PRO 17 11.930 32.845 2.290 96 HD3 PRO 17 2HD PRO 17 10.933 34.296 2.066 97 H GLY 18 H GLY 18 13.342 34.302 -2.982 98 HA2 GLY 18 1HA GLY 18 15.667 33.255 -3.260 99 HA3 GLY 18 2HA GLY 18 14.845 31.773 -2.793 100 H SER 19 H SER 19 13.885 34.419 -4.969 101 HA SER 19 HA SER 19 13.340 34.443 -7.181 102 HB2 SER 19 1HB SER 19 14.644 31.733 -7.440 103 HB3 SER 19 2HB SER 19 14.427 32.957 -8.691 104 HG SER 19 HG SER 19 15.778 34.250 -7.025 105 HA PRO 20 HA PRO 20 10.048 31.215 -6.015 106 HB2 PRO 20 1HB PRO 20 8.185 32.929 -5.035 107 HB3 PRO 20 2HB PRO 20 9.415 32.165 -4.021 108 HG2 PRO 20 1HG PRO 20 9.371 34.918 -5.197 109 HG3 PRO 20 2HG PRO 20 9.850 34.405 -3.568 110 HD2 PRO 20 1HD PRO 20 11.654 34.952 -5.512 111 HD3 PRO 20 2HD PRO 20 11.941 33.727 -4.260 112 H TYR 21 H TYR 21 10.602 33.728 -8.076 113 HA TYR 21 HA TYR 21 7.968 33.903 -9.254 114 HB2 TYR 21 1HB TYR 21 9.914 35.699 -9.162 115 HB3 TYR 21 2HB TYR 21 10.405 34.908 -10.656 116 HD1 TYR 21 2HD TYR 21 7.584 36.674 -9.018 117 HD2 TYR 21 1HD TYR 21 9.304 35.372 -12.686 118 HE1 TYR 21 2HE TYR 21 5.934 38.011 -10.260 119 HE2 TYR 21 1HE TYR 21 7.659 36.706 -13.937 120 HH TYR 21 HH TYR 21 5.304 38.760 -12.263 121 H THR 22 H THR 22 9.003 31.270 -9.157 122 HA THR 22 HA THR 22 9.127 30.686 -12.035 123 HB THR 22 HB THR 22 10.648 28.740 -11.471 124 HG1 THR 22 1HG THR 22 10.248 28.984 -9.131 125 HG21 THR 22 1HG2 THR 22 12.325 30.009 -12.231 126 HG22 THR 22 2HG2 THR 22 12.334 30.997 -10.770 127 HG23 THR 22 3HG2 THR 22 11.228 31.382 -12.089 128 H VAL 23 H VAL 23 7.899 28.997 -12.708 129 HA VAL 23 HA VAL 23 6.012 27.900 -10.809 130 HB VAL 23 HB VAL 23 5.010 26.800 -12.810 131 HG11 VAL 23 1HG1 VAL 23 3.921 28.761 -12.415 132 HG12 VAL 23 2HG1 VAL 23 5.390 29.731 -12.538 133 HG13 VAL 23 3HG1 VAL 23 4.600 29.136 -13.998 134 HG21 VAL 23 1HG2 VAL 23 5.920 26.873 -14.888 135 HG22 VAL 23 2HG2 VAL 23 6.690 28.437 -14.617 136 HG23 VAL 23 3HG2 VAL 23 7.415 26.970 -13.958 137 H GLU 24 H GLU 24 5.427 25.445 -11.426 138 HA GLU 24 HA GLU 24 6.103 23.356 -10.685 139 HB2 GLU 24 1HB GLU 24 7.435 22.231 -12.418 140 HB3 GLU 24 2HB GLU 24 6.162 23.222 -13.116 141 HG2 GLU 24 1HG GLU 24 7.974 23.681 -14.466 142 HG3 GLU 24 2HG GLU 24 7.982 25.028 -13.329 143 H ALA 25 H ALA 25 7.539 25.445 -9.322 144 HA ALA 25 HA ALA 25 10.270 24.421 -9.124 145 HB1 ALA 25 1HB ALA 25 8.928 26.872 -8.012 146 HB2 ALA 25 2HB ALA 25 10.562 26.384 -7.563 147 HB3 ALA 25 3HB ALA 25 10.190 26.781 -9.241 148 H SER 26 H SER 26 10.151 22.523 -8.002 149 HA SER 26 HA SER 26 9.623 21.049 -6.313 150 HB2 SER 26 1HB SER 26 10.851 23.468 -5.035 151 HB3 SER 26 2HB SER 26 10.328 22.120 -4.026 152 HG SER 26 HG SER 26 11.955 21.682 -6.284 153 H LEU 27 H LEU 27 7.262 21.851 -7.098 154 HA LEU 27 HA LEU 27 5.604 23.359 -5.517 155 HB2 LEU 27 1HB LEU 27 4.888 20.736 -6.819 156 HB3 LEU 27 2HB LEU 27 3.761 22.002 -6.335 157 HG LEU 27 HG LEU 27 5.895 22.647 -8.318 158 HD11 LEU 27 1HD1 LEU 27 3.692 20.737 -8.713 159 HD12 LEU 27 2HD1 LEU 27 5.204 20.932 -9.600 160 HD13 LEU 27 3HD1 LEU 27 3.839 21.997 -9.939 161 HD21 LEU 27 1HD2 LEU 27 4.723 24.521 -8.512 162 HD22 LEU 27 2HD2 LEU 27 3.700 23.969 -7.184 163 HD23 LEU 27 3HD2 LEU 27 3.246 23.618 -8.853 164 HA PRO 28 HA PRO 28 5.353 21.347 -1.611 165 HB2 PRO 28 1HB PRO 28 2.941 22.288 -0.791 166 HB3 PRO 28 2HB PRO 28 4.397 23.290 -0.840 167 HG2 PRO 28 1HG PRO 28 2.148 23.119 -2.808 168 HG3 PRO 28 2HG PRO 28 2.990 24.553 -2.193 169 HD2 PRO 28 1HD PRO 28 3.538 23.468 -4.612 170 HD3 PRO 28 2HD PRO 28 4.774 24.276 -3.626 171 HA PRO 29 HA PRO 29 3.045 17.634 -2.216 172 HB2 PRO 29 1HB PRO 29 2.978 16.752 0.350 173 HB3 PRO 29 2HB PRO 29 4.435 16.693 -0.648 174 HG2 PRO 29 1HG PRO 29 3.648 18.689 1.439 175 HG3 PRO 29 2HG PRO 29 5.227 17.934 1.152 176 HD2 PRO 29 1HD PRO 29 4.637 20.439 0.313 177 HD3 PRO 29 2HD PRO 29 5.741 19.370 -0.575 178 H ASP 30 H ASP 30 0.930 17.459 -2.564 179 HA ASP 30 HA ASP 30 -0.929 18.453 -0.508 180 HB2 ASP 30 1HB ASP 30 -0.657 19.784 -2.783 181 HB3 ASP 30 2HB ASP 30 -1.731 18.523 -3.384 182 HA PRO 31 HA PRO 31 -1.941 14.058 -1.032 183 HB2 PRO 31 1HB PRO 31 -3.120 13.829 1.403 184 HB3 PRO 31 2HB PRO 31 -1.370 13.741 1.171 185 HG2 PRO 31 1HG PRO 31 -3.049 16.050 2.074 186 HG3 PRO 31 2HG PRO 31 -1.490 15.486 2.704 187 HD2 PRO 31 1HD PRO 31 -1.704 17.597 1.021 188 HD3 PRO 31 2HD PRO 31 -0.296 16.516 1.023 189 H SER 32 H SER 32 -4.060 16.598 0.265 190 HA SER 32 HA SER 32 -6.519 15.420 0.035 191 HB2 SER 32 1HB SER 32 -5.824 18.284 -0.661 192 HB3 SER 32 2HB SER 32 -7.442 17.684 -0.298 193 HG SER 32 HG SER 32 -6.944 18.092 1.696 194 H LYS 33 H LYS 33 -4.367 16.295 -2.496 195 HA LYS 33 HA LYS 33 -6.424 16.195 -4.551 196 HB2 LYS 33 1HB LYS 33 -3.428 16.531 -4.793 197 HB3 LYS 33 2HB LYS 33 -4.584 16.685 -6.109 198 HG2 LYS 33 1HG LYS 33 -4.867 18.400 -3.683 199 HG3 LYS 33 2HG LYS 33 -3.674 18.806 -4.919 200 HD2 LYS 33 1HD LYS 33 -5.493 19.981 -5.683 201 HD3 LYS 33 2HD LYS 33 -5.710 18.456 -6.544 202 HE2 LYS 33 1HE LYS 33 -7.483 17.814 -5.234 203 HE3 LYS 33 2HE LYS 33 -6.950 18.774 -3.854 204 HZ1 LYS 33 1HZ LYS 33 -8.396 19.659 -6.267 205 HZ2 LYS 33 2HZ LYS 33 -7.501 20.762 -5.349 206 HZ3 LYS 33 3HZ LYS 33 -8.784 19.918 -4.641 207 H VAL 34 H VAL 34 -3.911 14.200 -3.190 208 HA VAL 34 HA VAL 34 -3.664 12.300 -5.242 209 HB VAL 34 HB VAL 34 -3.302 11.995 -2.260 210 HG11 VAL 34 1HG1 VAL 34 -3.308 10.006 -4.368 211 HG12 VAL 34 2HG1 VAL 34 -1.763 10.068 -3.518 212 HG13 VAL 34 3HG1 VAL 34 -3.256 9.796 -2.618 213 HG21 VAL 34 1HG2 VAL 34 -1.636 13.437 -2.898 214 HG22 VAL 34 2HG2 VAL 34 -0.840 11.889 -3.178 215 HG23 VAL 34 3HG2 VAL 34 -1.539 12.778 -4.531 216 H LYS 35 H LYS 35 -5.657 11.726 -6.080 217 HA LYS 35 HA LYS 35 -7.565 10.421 -4.275 218 HB2 LYS 35 1HB LYS 35 -7.808 11.516 -7.071 219 HB3 LYS 35 2HB LYS 35 -9.042 10.481 -6.367 220 HG2 LYS 35 1HG LYS 35 -8.124 12.983 -4.996 221 HG3 LYS 35 2HG LYS 35 -9.381 13.006 -6.235 222 HD2 LYS 35 1HD LYS 35 -10.507 11.169 -4.828 223 HD3 LYS 35 2HD LYS 35 -9.412 11.681 -3.542 224 HE2 LYS 35 1HE LYS 35 -11.257 12.984 -3.109 225 HE3 LYS 35 2HE LYS 35 -10.307 14.064 -4.128 226 HZ1 LYS 35 1HZ LYS 35 -11.753 13.870 -5.845 227 HZ2 LYS 35 2HZ LYS 35 -12.845 13.597 -4.583 228 HZ3 LYS 35 3HZ LYS 35 -12.213 12.290 -5.452 229 H ALA 36 H ALA 36 -7.899 8.283 -4.303 230 HA ALA 36 HA ALA 36 -6.496 6.711 -6.361 231 HB1 ALA 36 1HB ALA 36 -6.247 6.579 -3.622 232 HB2 ALA 36 2HB ALA 36 -7.323 5.233 -3.998 233 HB3 ALA 36 3HB ALA 36 -5.742 5.341 -4.772 234 H HIS 37 H HIS 37 -7.719 5.679 -7.786 235 HA HIS 37 HA HIS 37 -10.278 4.549 -6.973 236 HB2 HIS 37 1HB HIS 37 -11.413 5.518 -8.977 237 HB3 HIS 37 2HB HIS 37 -10.962 6.718 -7.770 238 HD1 HIS 37 1HD HIS 37 -9.547 5.304 -11.008 239 HD2 HIS 37 2HD HIS 37 -9.640 8.833 -8.816 240 HE1 HIS 37 1HE HIS 37 -8.369 7.011 -12.431 241 HE2 HIS 37 2HE HIS 37 -8.363 9.116 -11.048 242 H GLY 38 H GLY 38 -10.723 2.654 -7.968 243 HA2 GLY 38 1HA GLY 38 -10.255 1.757 -10.463 244 HA3 GLY 38 2HA GLY 38 -8.681 1.561 -9.707 245 HA PRO 39 HA PRO 39 -11.315 -2.240 -8.978 246 HB2 PRO 39 1HB PRO 39 -9.555 -4.004 -10.056 247 HB3 PRO 39 2HB PRO 39 -10.793 -3.178 -11.010 248 HG2 PRO 39 1HG PRO 39 -7.886 -2.529 -10.711 249 HG3 PRO 39 2HG PRO 39 -8.887 -2.533 -12.175 250 HD2 PRO 39 1HD PRO 39 -8.254 -0.258 -10.850 251 HD3 PRO 39 2HD PRO 39 -9.790 -0.463 -11.715 252 H GLY 40 H GLY 40 -7.756 -1.993 -8.808 253 HA2 GLY 40 1HA GLY 40 -7.167 -3.864 -6.918 254 HA3 GLY 40 2HA GLY 40 -6.338 -2.318 -7.017 255 H LEU 41 H LEU 41 -8.884 -0.881 -6.404 256 HA LEU 41 HA LEU 41 -8.628 -1.024 -3.521 257 HB2 LEU 41 1HB LEU 41 -10.387 0.776 -5.176 258 HB3 LEU 41 2HB LEU 41 -9.960 0.981 -3.478 259 HG LEU 41 HG LEU 41 -7.996 1.141 -5.762 260 HD11 LEU 41 1HD1 LEU 41 -8.031 3.599 -5.181 261 HD12 LEU 41 2HD1 LEU 41 -9.521 3.277 -4.296 262 HD13 LEU 41 3HD1 LEU 41 -9.447 2.983 -6.033 263 HD21 LEU 41 1HD2 LEU 41 -7.807 1.625 -2.802 264 HD22 LEU 41 2HD2 LEU 41 -6.649 2.304 -3.947 265 HD23 LEU 41 3HD2 LEU 41 -6.829 0.555 -3.806 266 H GLU 42 H GLU 42 -11.209 -1.384 -5.937 267 HA GLU 42 HA GLU 42 -13.286 -1.968 -4.147 268 HB2 GLU 42 1HB GLU 42 -12.913 -2.872 -7.007 269 HB3 GLU 42 2HB GLU 42 -14.416 -2.989 -6.104 270 HG2 GLU 42 1HG GLU 42 -12.980 -0.420 -6.731 271 HG3 GLU 42 2HG GLU 42 -14.349 -1.064 -7.635 272 H GLY 43 H GLY 43 -10.958 -4.076 -5.780 273 HA2 GLY 43 1HA GLY 43 -10.441 -5.953 -4.005 274 HA3 GLY 43 2HA GLY 43 -12.083 -6.413 -4.429 275 H GLY 44 H GLY 44 -10.697 -8.414 -4.945 276 HA2 GLY 44 1HA GLY 44 -10.505 -8.574 -7.804 277 HA3 GLY 44 2HA GLY 44 -8.932 -8.645 -7.024 278 H LEU 45 H LEU 45 -8.497 -10.755 -7.609 279 HA LEU 45 HA LEU 45 -10.118 -12.779 -6.219 280 HB2 LEU 45 1HB LEU 45 -8.871 -13.032 -8.952 281 HB3 LEU 45 2HB LEU 45 -9.675 -14.332 -8.075 282 HG LEU 45 HG LEU 45 -11.103 -11.802 -8.852 283 HD11 LEU 45 1HD1 LEU 45 -12.016 -13.193 -10.747 284 HD12 LEU 45 2HD1 LEU 45 -10.687 -14.314 -10.453 285 HD13 LEU 45 3HD1 LEU 45 -10.348 -12.649 -10.926 286 HD21 LEU 45 1HD2 LEU 45 -13.072 -13.023 -8.437 287 HD22 LEU 45 2HD2 LEU 45 -12.001 -13.386 -7.083 288 HD23 LEU 45 3HD2 LEU 45 -12.206 -14.559 -8.385 289 H VAL 46 H VAL 46 -9.014 -14.400 -5.196 290 HA VAL 46 HA VAL 46 -6.456 -13.949 -4.252 291 HB VAL 46 HB VAL 46 -7.832 -16.623 -4.539 292 HG11 VAL 46 1HG1 VAL 46 -6.385 -17.165 -2.521 293 HG12 VAL 46 2HG1 VAL 46 -5.566 -17.072 -4.082 294 HG13 VAL 46 3HG1 VAL 46 -5.448 -15.732 -2.941 295 HG21 VAL 46 1HG2 VAL 46 -7.742 -15.169 -1.963 296 HG22 VAL 46 2HG2 VAL 46 -8.832 -14.540 -3.198 297 HG23 VAL 46 3HG2 VAL 46 -9.001 -16.203 -2.638 298 H GLY 47 H GLY 47 -4.427 -14.417 -4.911 299 HA2 GLY 47 1HA GLY 47 -2.725 -15.393 -6.157 300 HA3 GLY 47 2HA GLY 47 -3.934 -16.325 -7.028 301 H LYS 48 H LYS 48 -5.476 -13.868 -7.660 302 HA LYS 48 HA LYS 48 -3.991 -13.163 -10.048 303 HB2 LYS 48 1HB LYS 48 -6.797 -12.772 -9.091 304 HB3 LYS 48 2HB LYS 48 -6.184 -11.735 -10.372 305 HG2 LYS 48 1HG LYS 48 -7.211 -13.464 -11.520 306 HG3 LYS 48 2HG LYS 48 -5.507 -13.923 -11.537 307 HD2 LYS 48 1HD LYS 48 -5.861 -15.459 -9.706 308 HD3 LYS 48 2HD LYS 48 -7.538 -14.933 -9.546 309 HE2 LYS 48 1HE LYS 48 -6.545 -16.031 -12.145 310 HE3 LYS 48 2HE LYS 48 -6.985 -17.125 -10.835 311 HZ1 LYS 48 1HZ LYS 48 -8.752 -15.089 -12.082 312 HZ2 LYS 48 2HZ LYS 48 -9.181 -16.079 -10.780 313 HZ3 LYS 48 3HZ LYS 48 -8.855 -16.765 -12.292 314 HA PRO 49 HA PRO 49 -2.380 -9.354 -8.539 315 HB2 PRO 49 1HB PRO 49 -2.048 -8.060 -10.902 316 HB3 PRO 49 2HB PRO 49 -1.000 -9.383 -10.375 317 HG2 PRO 49 1HG PRO 49 -3.312 -9.440 -12.276 318 HG3 PRO 49 2HG PRO 49 -1.732 -10.232 -12.413 319 HD2 PRO 49 1HD PRO 49 -3.959 -11.551 -11.617 320 HD3 PRO 49 2HD PRO 49 -2.339 -11.965 -11.019 321 H ALA 50 H ALA 50 -2.917 -7.156 -8.242 322 HA ALA 50 HA ALA 50 -5.350 -6.131 -9.461 323 HB1 ALA 50 1HB ALA 50 -6.701 -6.506 -7.745 324 HB2 ALA 50 2HB ALA 50 -5.398 -7.341 -6.899 325 HB3 ALA 50 3HB ALA 50 -5.620 -5.605 -6.682 326 H GLU 51 H GLU 51 -5.063 -4.058 -9.948 327 HA GLU 51 HA GLU 51 -3.275 -2.440 -8.265 328 HB2 GLU 51 1HB GLU 51 -2.583 -1.293 -10.450 329 HB3 GLU 51 2HB GLU 51 -1.900 -2.877 -10.113 330 HG2 GLU 51 1HG GLU 51 -2.480 -3.162 -12.289 331 HG3 GLU 51 2HG GLU 51 -3.968 -3.700 -11.513 332 H PHE 52 H PHE 52 -3.504 -0.025 -8.983 333 HA PHE 52 HA PHE 52 -6.247 0.628 -9.739 334 HB2 PHE 52 1HB PHE 52 -6.193 2.315 -7.742 335 HB3 PHE 52 2HB PHE 52 -6.643 0.637 -7.453 336 HD1 PHE 52 1HD PHE 52 -5.077 -0.898 -6.360 337 HD2 PHE 52 2HD PHE 52 -4.180 3.234 -6.853 338 HE1 PHE 52 1HE PHE 52 -3.291 -1.088 -4.678 339 HE2 PHE 52 2HE PHE 52 -2.393 3.050 -5.173 340 HZ PHE 52 HZ PHE 52 -1.946 0.887 -4.083 341 H THR 53 H THR 53 -6.441 3.178 -9.649 342 HA THR 53 HA THR 53 -3.995 4.271 -10.880 343 HB THR 53 HB THR 53 -6.841 5.015 -11.581 344 HG1 THR 53 1HG THR 53 -5.020 3.622 -13.248 345 HG21 THR 53 1HG2 THR 53 -4.214 5.754 -12.877 346 HG22 THR 53 2HG2 THR 53 -5.221 6.828 -11.906 347 HG23 THR 53 3HG2 THR 53 -5.816 6.215 -13.449 348 H ILE 54 H ILE 54 -3.109 5.830 -9.709 349 HA ILE 54 HA ILE 54 -4.829 7.417 -7.927 350 HB ILE 54 HB ILE 54 -1.869 6.847 -7.801 351 HG12 ILE 54 1HG1 ILE 54 -4.119 6.222 -5.876 352 HG13 ILE 54 2HG1 ILE 54 -3.389 5.067 -6.986 353 HG21 ILE 54 1HG2 ILE 54 -2.400 9.198 -7.200 354 HG22 ILE 54 2HG2 ILE 54 -3.473 8.591 -5.940 355 HG23 ILE 54 3HG2 ILE 54 -1.743 8.257 -5.861 356 HD11 ILE 54 1HD1 ILE 54 -1.334 5.115 -5.825 357 HD12 ILE 54 2HD1 ILE 54 -1.825 6.518 -4.875 358 HD13 ILE 54 3HD1 ILE 54 -2.601 4.958 -4.608 359 H ASP 55 H ASP 55 -5.086 9.530 -8.269 360 HA ASP 55 HA ASP 55 -3.681 10.753 -10.511 361 HB2 ASP 55 1HB ASP 55 -6.130 11.475 -8.926 362 HB3 ASP 55 2HB ASP 55 -5.345 12.667 -9.959 363 H THR 56 H THR 56 -1.627 10.947 -9.463 364 HA THR 56 HA THR 56 -1.507 12.925 -7.296 365 HB THR 56 HB THR 56 0.949 12.182 -7.205 366 HG1 THR 56 1HG THR 56 1.213 10.006 -8.057 367 HG21 THR 56 1HG2 THR 56 -0.254 9.756 -6.392 368 HG22 THR 56 2HG2 THR 56 -1.436 11.036 -6.122 369 HG23 THR 56 3HG2 THR 56 0.166 11.148 -5.395 370 H LYS 57 H LYS 57 -1.977 13.577 -10.132 371 HA LYS 57 HA LYS 57 0.456 14.728 -11.138 372 HB2 LYS 57 1HB LYS 57 -0.962 15.653 -12.908 373 HB3 LYS 57 2HB LYS 57 -1.282 13.940 -12.670 374 HG2 LYS 57 1HG LYS 57 -3.198 14.751 -11.139 375 HG3 LYS 57 2HG LYS 57 -2.986 16.294 -11.969 376 HD2 LYS 57 1HD LYS 57 -4.655 15.164 -13.183 377 HD3 LYS 57 2HD LYS 57 -3.182 14.974 -14.137 378 HE2 LYS 57 1HE LYS 57 -2.876 12.752 -12.951 379 HE3 LYS 57 2HE LYS 57 -4.525 12.951 -12.361 380 HZ1 LYS 57 1HZ LYS 57 -3.619 12.106 -14.925 381 HZ2 LYS 57 2HZ LYS 57 -4.676 13.420 -15.057 382 HZ3 LYS 57 3HZ LYS 57 -5.169 12.016 -14.252 383 H GLY 58 H GLY 58 -2.518 15.980 -9.651 384 HA2 GLY 58 1HA GLY 58 -1.289 18.641 -9.492 385 HA3 GLY 58 2HA GLY 58 -2.989 18.275 -9.234 386 H ALA 59 H ALA 59 -0.273 16.559 -7.788 387 HA ALA 59 HA ALA 59 -1.229 17.449 -5.150 388 HB1 ALA 59 1HB ALA 59 -0.655 14.869 -6.177 389 HB2 ALA 59 2HB ALA 59 0.521 15.225 -4.911 390 HB3 ALA 59 3HB ALA 59 -1.206 15.312 -4.561 391 H GLY 60 H GLY 60 1.665 16.900 -7.106 392 HA2 GLY 60 1HA GLY 60 3.373 18.694 -6.888 393 HA3 GLY 60 2HA GLY 60 3.177 18.521 -5.150 394 H THR 61 H THR 61 4.937 17.627 -4.320 395 HA THR 61 HA THR 61 5.893 15.104 -5.429 396 HB THR 61 HB THR 61 7.247 17.022 -6.429 397 HG1 THR 61 1HG THR 61 7.938 14.734 -6.102 398 HG21 THR 61 1HG2 THR 61 8.185 17.171 -3.565 399 HG22 THR 61 2HG2 THR 61 7.474 18.464 -4.531 400 HG23 THR 61 3HG2 THR 61 9.078 17.847 -4.927 401 H GLY 62 H GLY 62 7.056 13.817 -3.945 402 HA2 GLY 62 1HA GLY 62 8.101 14.352 -1.521 403 HA3 GLY 62 2HA GLY 62 6.377 14.369 -1.183 404 H GLY 63 H GLY 63 7.088 12.581 0.284 405 HA2 GLY 63 1HA GLY 63 7.481 10.041 -1.145 406 HA3 GLY 63 2HA GLY 63 7.795 10.312 0.563 407 H LEU 64 H LEU 64 6.184 8.240 -0.766 408 HA LEU 64 HA LEU 64 3.659 8.748 0.655 409 HB2 LEU 64 1HB LEU 64 3.200 8.965 -1.696 410 HB3 LEU 64 2HB LEU 64 4.023 7.444 -2.036 411 HG LEU 64 HG LEU 64 2.164 6.450 -0.471 412 HD11 LEU 64 1HD1 LEU 64 0.237 7.629 -0.193 413 HD12 LEU 64 2HD1 LEU 64 0.495 8.610 -1.636 414 HD13 LEU 64 3HD1 LEU 64 1.393 8.961 -0.159 415 HD21 LEU 64 1HD2 LEU 64 1.674 5.505 -2.415 416 HD22 LEU 64 2HD2 LEU 64 2.466 6.824 -3.278 417 HD23 LEU 64 3HD2 LEU 64 0.753 6.939 -2.872 418 H GLY 65 H GLY 65 3.104 7.217 2.075 419 HA2 GLY 65 1HA GLY 65 4.710 4.755 2.113 420 HA3 GLY 65 2HA GLY 65 3.843 5.433 3.483 421 H LEU 66 H LEU 66 3.850 2.934 1.393 422 HA LEU 66 HA LEU 66 0.924 2.617 1.533 423 HB2 LEU 66 1HB LEU 66 2.056 2.828 -0.761 424 HB3 LEU 66 2HB LEU 66 2.680 1.210 -0.450 425 HG LEU 66 HG LEU 66 0.145 0.644 -0.070 426 HD11 LEU 66 1HD1 LEU 66 -0.066 2.971 -1.970 427 HD12 LEU 66 2HD1 LEU 66 -0.538 3.033 -0.272 428 HD13 LEU 66 3HD1 LEU 66 -1.371 1.942 -1.380 429 HD21 LEU 66 1HD2 LEU 66 0.850 1.098 -2.925 430 HD22 LEU 66 2HD2 LEU 66 0.151 -0.321 -2.145 431 HD23 LEU 66 3HD2 LEU 66 1.871 0.030 -1.962 432 H THR 67 H THR 67 0.342 1.166 2.994 433 HA THR 67 HA THR 67 1.924 -1.294 3.261 434 HB THR 67 HB THR 67 1.496 -1.229 5.742 435 HG1 THR 67 1HG THR 67 1.127 1.558 5.430 436 HG21 THR 67 1HG2 THR 67 3.608 -0.352 4.379 437 HG22 THR 67 2HG2 THR 67 3.508 -0.222 6.135 438 HG23 THR 67 3HG2 THR 67 3.131 1.173 5.123 439 H VAL 68 H VAL 68 0.701 -3.049 3.079 440 HA VAL 68 HA VAL 68 -2.186 -2.794 3.057 441 HB VAL 68 HB VAL 68 -0.424 -5.192 2.531 442 HG11 VAL 68 1HG1 VAL 68 -2.719 -5.836 1.344 443 HG12 VAL 68 2HG1 VAL 68 -2.374 -6.252 3.024 444 HG13 VAL 68 3HG1 VAL 68 -3.365 -4.841 2.649 445 HG21 VAL 68 1HG2 VAL 68 -2.004 -3.971 0.369 446 HG22 VAL 68 2HG2 VAL 68 -0.666 -2.994 0.975 447 HG23 VAL 68 3HG2 VAL 68 -0.362 -4.616 0.352 448 H GLU 69 H GLU 69 -3.208 -2.827 4.954 449 HA GLU 69 HA GLU 69 -2.185 -4.501 7.122 450 HB2 GLU 69 1HB GLU 69 -4.192 -2.259 7.014 451 HB3 GLU 69 2HB GLU 69 -4.029 -3.288 8.431 452 HG2 GLU 69 1HG GLU 69 -1.662 -1.873 7.270 453 HG3 GLU 69 2HG GLU 69 -2.766 -1.057 8.375 454 H GLY 70 H GLY 70 -2.831 -6.501 6.110 455 HA2 GLY 70 1HA GLY 70 -5.723 -7.014 6.432 456 HA3 GLY 70 2HA GLY 70 -4.800 -7.696 5.101 457 HA PRO 71 HA PRO 71 -4.946 -10.745 8.629 458 HB2 PRO 71 1HB PRO 71 -5.865 -12.820 7.139 459 HB3 PRO 71 2HB PRO 71 -6.935 -11.654 7.925 460 HG2 PRO 71 1HG PRO 71 -6.026 -11.769 5.075 461 HG3 PRO 71 2HG PRO 71 -7.643 -11.432 5.721 462 HD2 PRO 71 1HD PRO 71 -5.976 -9.474 4.871 463 HD3 PRO 71 2HD PRO 71 -7.132 -9.235 6.197 464 H CYS 72 H CYS 72 -3.425 -10.399 5.607 465 HA CYS 72 HA CYS 72 -1.264 -12.151 6.457 466 HB2 CYS 72 1HB CYS 72 -3.011 -13.346 4.886 467 HB3 CYS 72 2HB CYS 72 -2.177 -12.448 3.623 468 HG CYS 72 HG CYS 72 -0.608 -14.589 5.783 469 H GLU 73 H GLU 73 0.709 -11.832 5.192 470 HA GLU 73 HA GLU 73 1.026 -9.042 4.508 471 HB2 GLU 73 1HB GLU 73 2.764 -10.037 5.829 472 HB3 GLU 73 2HB GLU 73 2.972 -11.344 4.672 473 HG2 GLU 73 1HG GLU 73 3.807 -9.757 3.019 474 HG3 GLU 73 2HG GLU 73 3.592 -8.441 4.173 475 H ALA 74 H ALA 74 -0.173 -8.854 2.589 476 HA ALA 74 HA ALA 74 0.401 -10.494 0.304 477 HB1 ALA 74 1HB ALA 74 -0.917 -8.248 -0.630 478 HB2 ALA 74 2HB ALA 74 -1.658 -9.771 -0.139 479 HB3 ALA 74 3HB ALA 74 -1.522 -8.445 1.015 480 H LYS 75 H LYS 75 1.680 -10.062 -1.426 481 HA LYS 75 HA LYS 75 3.847 -8.280 -1.111 482 HB2 LYS 75 1HB LYS 75 3.537 -10.460 -2.582 483 HB3 LYS 75 2HB LYS 75 3.086 -9.291 -3.816 484 HG2 LYS 75 1HG LYS 75 5.217 -8.210 -3.659 485 HG3 LYS 75 2HG LYS 75 5.667 -9.201 -2.270 486 HD2 LYS 75 1HD LYS 75 4.904 -10.569 -4.802 487 HD3 LYS 75 2HD LYS 75 6.486 -9.792 -4.711 488 HE2 LYS 75 1HE LYS 75 6.953 -11.935 -3.983 489 HE3 LYS 75 2HE LYS 75 6.699 -11.076 -2.464 490 HZ1 LYS 75 1HZ LYS 75 4.236 -12.069 -3.397 491 HZ2 LYS 75 2HZ LYS 75 5.060 -12.457 -1.972 492 HZ3 LYS 75 3HZ LYS 75 5.362 -13.332 -3.387 493 H ILE 76 H ILE 76 4.355 -6.359 -2.166 494 HA ILE 76 HA ILE 76 2.184 -5.059 -3.659 495 HB ILE 76 HB ILE 76 3.810 -3.673 -1.526 496 HG12 ILE 76 1HG1 ILE 76 0.878 -4.390 -1.417 497 HG13 ILE 76 2HG1 ILE 76 2.136 -5.382 -0.688 498 HG21 ILE 76 1HG2 ILE 76 1.953 -2.778 -3.611 499 HG22 ILE 76 2HG2 ILE 76 1.628 -2.126 -2.006 500 HG23 ILE 76 3HG2 ILE 76 3.209 -1.889 -2.750 501 HD11 ILE 76 1HD1 ILE 76 1.465 -4.134 1.101 502 HD12 ILE 76 2HD1 ILE 76 2.786 -3.138 0.489 503 HD13 ILE 76 3HD1 ILE 76 1.115 -2.712 0.120 504 H GLU 77 H GLU 77 2.895 -4.416 -5.573 505 HA GLU 77 HA GLU 77 5.761 -3.824 -5.888 506 HB2 GLU 77 1HB GLU 77 4.996 -5.684 -7.261 507 HB3 GLU 77 2HB GLU 77 3.716 -4.688 -7.939 508 HG2 GLU 77 1HG GLU 77 5.313 -4.658 -9.598 509 HG3 GLU 77 2HG GLU 77 5.635 -3.158 -8.730 510 H CYS 78 H CYS 78 6.080 -1.696 -5.711 511 HA CYS 78 HA CYS 78 4.099 0.174 -6.747 512 HB2 CYS 78 1HB CYS 78 5.261 1.870 -5.539 513 HB3 CYS 78 2HB CYS 78 5.181 0.464 -4.484 514 HG CYS 78 HG CYS 78 7.672 0.659 -3.910 515 H SER 79 H SER 79 4.240 0.969 -8.728 516 HA SER 79 HA SER 79 6.896 1.343 -9.928 517 HB2 SER 79 1HB SER 79 6.012 -0.716 -10.878 518 HB3 SER 79 2HB SER 79 4.498 0.090 -11.287 519 HG SER 79 HG SER 79 5.956 1.556 -12.550 520 H ASP 80 H ASP 80 7.086 3.070 -11.356 521 HA ASP 80 HA ASP 80 4.891 5.014 -11.198 522 HB2 ASP 80 1HB ASP 80 6.788 6.599 -12.002 523 HB3 ASP 80 2HB ASP 80 6.790 6.047 -10.329 524 H ASN 81 H ASN 81 4.017 5.948 -13.003 525 HA ASN 81 HA ASN 81 4.541 4.567 -15.517 526 HB2 ASN 81 1HB ASN 81 2.355 6.501 -14.717 527 HB3 ASN 81 2HB ASN 81 2.473 5.721 -16.291 528 HD21 ASN 81 1HD2 ASN 81 0.954 5.584 -13.428 529 HD22 ASN 81 2HD2 ASN 81 0.565 3.901 -13.366 530 H GLY 82 H GLY 82 4.403 7.883 -14.245 531 HA2 GLY 82 1HA GLY 82 5.925 9.589 -14.854 532 HA3 GLY 82 2HA GLY 82 6.322 8.682 -16.306 533 H ASP 83 H ASP 83 2.994 8.830 -15.754 534 HA ASP 83 HA ASP 83 2.744 11.017 -17.713 535 HB2 ASP 83 1HB ASP 83 2.018 8.853 -18.604 536 HB3 ASP 83 2HB ASP 83 0.904 8.659 -17.253 537 H GLY 84 H GLY 84 2.093 10.066 -14.539 538 HA2 GLY 84 1HA GLY 84 1.331 12.041 -13.174 539 HA3 GLY 84 2HA GLY 84 -0.023 12.113 -14.291 540 H THR 85 H THR 85 0.641 8.927 -13.927 541 HA THR 85 HA THR 85 -1.145 8.651 -11.600 542 HB THR 85 HB THR 85 -2.052 6.580 -12.740 543 HG1 THR 85 1HG THR 85 -0.800 6.126 -14.432 544 HG21 THR 85 1HG2 THR 85 -2.734 8.888 -14.481 545 HG22 THR 85 2HG2 THR 85 -2.990 9.072 -12.746 546 HG23 THR 85 3HG2 THR 85 -3.791 7.768 -13.623 547 H CYS 86 H CYS 86 -1.134 6.236 -10.863 548 HA CYS 86 HA CYS 86 1.684 5.402 -10.702 549 HB2 CYS 86 1HB CYS 86 1.374 4.770 -8.500 550 HB3 CYS 86 2HB CYS 86 0.293 6.153 -8.607 551 HG CYS 86 HG CYS 86 -2.021 4.805 -8.545 552 H SER 87 H SER 87 2.052 3.062 -10.414 553 HA SER 87 HA SER 87 -0.011 1.415 -11.711 554 HB2 SER 87 1HB SER 87 2.077 2.205 -13.147 555 HB3 SER 87 2HB SER 87 2.862 0.864 -12.314 556 HG SER 87 HG SER 87 1.744 0.416 -14.392 557 H VAL 88 H VAL 88 0.216 1.466 -9.016 558 HA VAL 88 HA VAL 88 2.013 -0.563 -8.053 559 HB VAL 88 HB VAL 88 -0.371 0.601 -6.615 560 HG11 VAL 88 1HG1 VAL 88 2.168 -0.668 -5.593 561 HG12 VAL 88 2HG1 VAL 88 0.870 -0.003 -4.600 562 HG13 VAL 88 3HG1 VAL 88 0.573 -1.418 -5.611 563 HG21 VAL 88 1HG2 VAL 88 2.054 1.883 -7.457 564 HG22 VAL 88 2HG2 VAL 88 0.673 2.563 -6.597 565 HG23 VAL 88 3HG2 VAL 88 1.988 1.808 -5.697 566 H SER 89 H SER 89 1.684 -2.683 -8.046 567 HA SER 89 HA SER 89 -1.079 -3.685 -8.238 568 HB2 SER 89 1HB SER 89 -0.211 -5.536 -9.666 569 HB3 SER 89 2HB SER 89 -0.052 -3.950 -10.421 570 HG SER 89 HG SER 89 2.045 -5.146 -8.946 571 H TYR 90 H TYR 90 -1.625 -5.131 -6.739 572 HA TYR 90 HA TYR 90 0.536 -6.416 -5.201 573 HB2 TYR 90 1HB TYR 90 -0.833 -6.301 -3.231 574 HB3 TYR 90 2HB TYR 90 -0.784 -4.693 -3.945 575 HD1 TYR 90 2HD TYR 90 -2.883 -7.658 -3.362 576 HD2 TYR 90 1HD TYR 90 -2.766 -3.666 -4.830 577 HE1 TYR 90 2HE TYR 90 -5.342 -7.603 -3.390 578 HE2 TYR 90 1HE TYR 90 -5.225 -3.600 -4.861 579 HH TYR 90 HH TYR 90 -7.119 -4.934 -3.489 580 H LEU 91 H LEU 91 -0.042 -8.501 -4.217 581 HA LEU 91 HA LEU 91 -2.076 -9.963 -5.760 582 HB2 LEU 91 1HB LEU 91 0.804 -10.540 -5.394 583 HB3 LEU 91 2HB LEU 91 -0.299 -11.912 -5.323 584 HG LEU 91 HG LEU 91 -0.499 -10.054 -7.641 585 HD11 LEU 91 1HD1 LEU 91 1.536 -12.263 -7.573 586 HD12 LEU 91 2HD1 LEU 91 1.947 -10.582 -7.236 587 HD13 LEU 91 3HD1 LEU 91 1.294 -11.030 -8.811 588 HD21 LEU 91 1HD2 LEU 91 -1.166 -12.857 -6.958 589 HD22 LEU 91 2HD2 LEU 91 -0.706 -12.522 -8.627 590 HD23 LEU 91 3HD2 LEU 91 -2.069 -11.671 -7.900 591 HA PRO 92 HA PRO 92 -3.370 -10.874 -1.579 592 HB2 PRO 92 1HB PRO 92 -5.603 -12.240 -2.298 593 HB3 PRO 92 2HB PRO 92 -5.511 -10.475 -2.310 594 HG2 PRO 92 1HG PRO 92 -5.234 -12.402 -4.584 595 HG3 PRO 92 2HG PRO 92 -6.116 -10.865 -4.521 596 HD2 PRO 92 1HD PRO 92 -3.670 -11.095 -5.660 597 HD3 PRO 92 2HD PRO 92 -4.208 -9.612 -4.847 598 H THR 93 H THR 93 -3.467 -12.711 -0.258 599 HA THR 93 HA THR 93 -2.373 -15.152 -1.489 600 HB THR 93 HB THR 93 -1.516 -15.729 0.749 601 HG1 THR 93 1HG THR 93 -2.539 -14.729 2.321 602 HG21 THR 93 1HG2 THR 93 0.359 -14.390 0.622 603 HG22 THR 93 2HG2 THR 93 -0.573 -12.938 0.258 604 HG23 THR 93 3HG2 THR 93 -0.327 -14.163 -0.986 605 H LYS 94 H LYS 94 -4.782 -13.920 0.771 606 HA LYS 94 HA LYS 94 -6.291 -16.407 0.427 607 HB2 LYS 94 1HB LYS 94 -6.784 -16.583 2.781 608 HB3 LYS 94 2HB LYS 94 -5.038 -16.551 2.571 609 HG2 LYS 94 1HG LYS 94 -5.000 -14.194 3.202 610 HG3 LYS 94 2HG LYS 94 -6.753 -14.219 3.405 611 HD2 LYS 94 1HD LYS 94 -5.013 -16.147 4.901 612 HD3 LYS 94 2HD LYS 94 -5.241 -14.497 5.489 613 HE2 LYS 94 1HE LYS 94 -7.643 -16.086 4.737 614 HE3 LYS 94 2HE LYS 94 -6.825 -16.468 6.251 615 HZ1 LYS 94 1HZ LYS 94 -7.161 -13.669 5.985 616 HZ2 LYS 94 2HZ LYS 94 -7.728 -14.699 7.200 617 HZ3 LYS 94 3HZ LYS 94 -8.652 -14.447 5.805 618 HA PRO 95 HA PRO 95 -9.725 -13.732 -0.158 619 HB2 PRO 95 1HB PRO 95 -11.754 -15.336 0.668 620 HB3 PRO 95 2HB PRO 95 -10.888 -15.588 -0.852 621 HG2 PRO 95 1HG PRO 95 -10.527 -16.961 1.783 622 HG3 PRO 95 2HG PRO 95 -10.553 -17.658 0.153 623 HD2 PRO 95 1HD PRO 95 -8.251 -17.180 1.496 624 HD3 PRO 95 2HD PRO 95 -8.367 -17.065 -0.272 625 H GLY 96 H GLY 96 -9.850 -12.000 1.159 626 HA2 GLY 96 1HA GLY 96 -11.446 -12.161 3.535 627 HA3 GLY 96 2HA GLY 96 -9.749 -11.879 3.895 628 H GLU 97 H GLU 97 -9.241 -9.821 4.168 629 HA GLU 97 HA GLU 97 -10.344 -7.802 2.387 630 HB2 GLU 97 1HB GLU 97 -10.789 -7.835 5.364 631 HB3 GLU 97 2HB GLU 97 -10.830 -6.341 4.440 632 HG2 GLU 97 1HG GLU 97 -12.540 -8.696 3.723 633 HG3 GLU 97 2HG GLU 97 -13.044 -7.496 4.912 634 H TYR 98 H TYR 98 -8.807 -6.415 1.809 635 HA TYR 98 HA TYR 98 -6.426 -6.182 3.531 636 HB2 TYR 98 1HB TYR 98 -6.598 -5.993 0.516 637 HB3 TYR 98 2HB TYR 98 -5.137 -5.746 1.466 638 HD1 TYR 98 1HD TYR 98 -7.719 -8.279 0.614 639 HD2 TYR 98 2HD TYR 98 -3.785 -7.566 2.071 640 HE1 TYR 98 1HE TYR 98 -7.245 -10.690 0.496 641 HE2 TYR 98 2HE TYR 98 -3.300 -9.975 1.957 642 HH TYR 98 HH TYR 98 -5.195 -12.236 1.995 643 H PHE 99 H PHE 99 -6.065 -4.239 4.356 644 HA PHE 99 HA PHE 99 -7.463 -1.934 3.201 645 HB2 PHE 99 1HB PHE 99 -6.288 -2.437 5.934 646 HB3 PHE 99 2HB PHE 99 -6.839 -0.847 5.416 647 HD1 PHE 99 2HD PHE 99 -8.123 -4.355 5.365 648 HD2 PHE 99 1HD PHE 99 -8.924 -0.245 6.130 649 HE1 PHE 99 2HE PHE 99 -10.415 -4.932 6.049 650 HE2 PHE 99 1HE PHE 99 -11.217 -0.816 6.816 651 HZ PHE 99 HZ PHE 99 -11.965 -3.162 6.775 652 H VAL 100 H VAL 100 -6.238 -0.962 1.706 653 HA VAL 100 HA VAL 100 -3.366 -0.871 1.898 654 HB VAL 100 HB VAL 100 -5.184 0.553 -0.051 655 HG11 VAL 100 1HG1 VAL 100 -2.439 -0.184 -0.810 656 HG12 VAL 100 2HG1 VAL 100 -3.360 1.281 -1.155 657 HG13 VAL 100 3HG1 VAL 100 -2.572 1.081 0.411 658 HG21 VAL 100 1HG2 VAL 100 -4.707 -2.197 0.235 659 HG22 VAL 100 2HG2 VAL 100 -5.486 -1.374 -1.117 660 HG23 VAL 100 3HG2 VAL 100 -3.749 -1.675 -1.150 661 H ASN 101 H ASN 101 -2.494 0.438 3.380 662 HA ASN 101 HA ASN 101 -3.738 2.917 4.153 663 HB2 ASN 101 1HB ASN 101 -1.095 1.662 4.920 664 HB3 ASN 101 2HB ASN 101 -1.718 3.156 5.614 665 HD21 ASN 101 1HD2 ASN 101 -2.595 -0.229 5.076 666 HD22 ASN 101 2HD2 ASN 101 -3.471 -0.418 6.553 667 H ILE 102 H ILE 102 -3.633 4.615 2.839 668 HA ILE 102 HA ILE 102 -1.116 5.121 1.393 669 HB ILE 102 HB ILE 102 -3.881 6.139 0.728 670 HG12 ILE 102 1HG1 ILE 102 -2.242 4.135 -0.820 671 HG13 ILE 102 2HG1 ILE 102 -3.422 3.651 0.393 672 HG21 ILE 102 1HG2 ILE 102 -1.252 6.406 -0.723 673 HG22 ILE 102 2HG2 ILE 102 -2.820 6.869 -1.383 674 HG23 ILE 102 3HG2 ILE 102 -2.180 7.701 0.035 675 HD11 ILE 102 1HD1 ILE 102 -3.987 3.879 -2.205 676 HD12 ILE 102 2HD1 ILE 102 -5.177 4.142 -0.930 677 HD13 ILE 102 3HD1 ILE 102 -4.370 5.518 -1.681 678 H LEU 103 H LEU 103 0.088 6.580 2.410 679 HA LEU 103 HA LEU 103 -1.214 9.029 3.381 680 HB2 LEU 103 1HB LEU 103 0.765 8.900 5.138 681 HB3 LEU 103 2HB LEU 103 -0.812 8.172 5.436 682 HG LEU 103 HG LEU 103 0.384 6.058 4.361 683 HD11 LEU 103 1HD1 LEU 103 2.726 5.963 5.201 684 HD12 LEU 103 2HD1 LEU 103 2.634 7.697 5.510 685 HD13 LEU 103 3HD1 LEU 103 2.484 7.087 3.863 686 HD21 LEU 103 1HD2 LEU 103 1.324 5.970 6.977 687 HD22 LEU 103 2HD2 LEU 103 -0.245 5.414 6.394 688 HD23 LEU 103 3HD2 LEU 103 -0.070 7.048 7.036 689 H PHE 104 H PHE 104 -0.308 10.836 2.638 690 HA PHE 104 HA PHE 104 2.229 10.617 1.194 691 HB2 PHE 104 1HB PHE 104 0.017 11.651 0.248 692 HB3 PHE 104 2HB PHE 104 0.506 13.069 1.169 693 HD1 PHE 104 1HD PHE 104 2.196 10.595 -1.062 694 HD2 PHE 104 2HD PHE 104 1.526 14.683 -0.086 695 HE1 PHE 104 1HE PHE 104 3.677 11.274 -2.906 696 HE2 PHE 104 2HE PHE 104 3.004 15.369 -1.929 697 HZ PHE 104 HZ PHE 104 4.082 13.664 -3.342 698 H GLU 105 H GLU 105 3.977 11.057 2.362 699 HA GLU 105 HA GLU 105 5.425 12.064 3.799 700 HB2 GLU 105 1HB GLU 105 3.622 14.394 3.151 701 HB3 GLU 105 2HB GLU 105 5.058 14.554 4.152 702 HG2 GLU 105 1HG GLU 105 5.257 13.332 1.436 703 HG3 GLU 105 2HG GLU 105 5.185 15.083 1.622 704 H GLU 106 H GLU 106 3.575 10.514 5.054 705 HA GLU 106 HA GLU 106 2.837 10.046 7.159 706 HB2 GLU 106 1HB GLU 106 3.775 12.787 7.994 707 HB3 GLU 106 2HB GLU 106 3.538 11.373 9.012 708 HG2 GLU 106 1HG GLU 106 5.370 10.303 7.534 709 HG3 GLU 106 2HG GLU 106 5.745 11.967 7.090 710 H VAL 107 H VAL 107 1.231 11.434 5.129 711 HA VAL 107 HA VAL 107 -0.825 12.528 6.929 712 HB VAL 107 HB VAL 107 -0.380 13.566 4.135 713 HG11 VAL 107 1HG1 VAL 107 -1.968 15.181 4.629 714 HG12 VAL 107 2HG1 VAL 107 -2.620 13.748 5.427 715 HG13 VAL 107 3HG1 VAL 107 -1.780 14.980 6.370 716 HG21 VAL 107 1HG2 VAL 107 0.392 15.135 6.553 717 HG22 VAL 107 2HG2 VAL 107 1.517 13.946 5.899 718 HG23 VAL 107 3HG2 VAL 107 0.960 15.280 4.890 719 H HIS 108 H HIS 108 -2.391 11.051 6.942 720 HA HIS 108 HA HIS 108 -2.865 9.145 4.940 721 HB2 HIS 108 1HB HIS 108 -4.316 10.096 7.354 722 HB3 HIS 108 2HB HIS 108 -5.248 9.190 6.166 723 HD1 HIS 108 1HD HIS 108 -5.056 6.704 6.252 724 HD2 HIS 108 2HD HIS 108 -2.029 8.595 8.380 725 HE1 HIS 108 1HE HIS 108 -3.819 4.865 7.441 726 HE2 HIS 108 2HE HIS 108 -2.046 6.041 8.789 727 H ILE 109 H ILE 109 -3.665 9.404 2.973 728 HA ILE 109 HA ILE 109 -4.811 11.825 2.065 729 HB ILE 109 HB ILE 109 -5.242 10.663 -0.030 730 HG12 ILE 109 1HG1 ILE 109 -4.150 8.106 1.059 731 HG13 ILE 109 2HG1 ILE 109 -5.844 8.484 1.354 732 HG21 ILE 109 1HG2 ILE 109 -2.921 11.397 0.667 733 HG22 ILE 109 2HG2 ILE 109 -2.595 9.701 1.017 734 HG23 ILE 109 3HG2 ILE 109 -3.006 10.199 -0.624 735 HD11 ILE 109 1HD1 ILE 109 -4.616 8.486 -1.385 736 HD12 ILE 109 2HD1 ILE 109 -5.376 7.070 -0.658 737 HD13 ILE 109 3HD1 ILE 109 -6.326 8.524 -0.959 738 HA PRO 110 HA PRO 110 -9.077 11.373 3.009 739 HB2 PRO 110 1HB PRO 110 -10.195 12.694 0.918 740 HB3 PRO 110 2HB PRO 110 -9.344 13.518 2.230 741 HG2 PRO 110 1HG PRO 110 -8.360 12.787 -0.501 742 HG3 PRO 110 2HG PRO 110 -8.125 14.292 0.407 743 HD2 PRO 110 1HD PRO 110 -6.220 12.374 0.247 744 HD3 PRO 110 2HD PRO 110 -6.419 13.405 1.678 745 H GLY 111 H GLY 111 -8.987 9.017 2.636 746 HA2 GLY 111 1HA GLY 111 -11.024 7.926 1.294 747 HA3 GLY 111 2HA GLY 111 -9.828 8.077 0.015 748 H SER 112 H SER 112 -7.833 7.654 2.406 749 HA SER 112 HA SER 112 -7.870 4.728 2.160 750 HB2 SER 112 1HB SER 112 -5.570 4.738 2.227 751 HB3 SER 112 2HB SER 112 -5.845 6.333 1.527 752 HG SER 112 HG SER 112 -5.232 5.677 4.211 753 HA PRO 113 HA PRO 113 -6.314 3.214 3.198 754 HB2 PRO 113 1HB PRO 113 -7.262 0.927 4.312 755 HB3 PRO 113 2HB PRO 113 -5.884 1.816 4.970 756 HG2 PRO 113 1HG PRO 113 -8.745 1.837 5.850 757 HG3 PRO 113 2HG PRO 113 -7.272 1.783 6.836 758 HD2 PRO 113 1HD PRO 113 -8.675 4.064 6.438 759 HD3 PRO 113 2HD PRO 113 -6.913 4.052 6.649 760 H PHE 114 H PHE 114 -7.136 1.369 1.833 761 HA PHE 114 HA PHE 114 -9.943 1.852 1.078 762 HB2 PHE 114 1HB PHE 114 -7.514 1.291 -0.611 763 HB3 PHE 114 2HB PHE 114 -9.143 1.023 -1.223 764 HD1 PHE 114 1HD PHE 114 -6.893 3.609 0.181 765 HD2 PHE 114 2HD PHE 114 -10.410 2.792 -2.072 766 HE1 PHE 114 1HE PHE 114 -7.043 5.985 -0.440 767 HE2 PHE 114 2HE PHE 114 -10.565 5.167 -2.697 768 HZ PHE 114 HZ PHE 114 -8.880 6.766 -1.882 769 H LYS 115 H LYS 115 -11.099 0.213 1.880 770 HA LYS 115 HA LYS 115 -10.079 -2.403 2.303 771 HB2 LYS 115 1HB LYS 115 -11.894 -1.547 3.667 772 HB3 LYS 115 2HB LYS 115 -12.918 -1.365 2.249 773 HG2 LYS 115 1HG LYS 115 -13.196 -3.675 2.011 774 HG3 LYS 115 2HG LYS 115 -11.831 -4.036 3.070 775 HD2 LYS 115 1HD LYS 115 -13.734 -4.481 4.371 776 HD3 LYS 115 2HD LYS 115 -13.181 -2.895 4.913 777 HE2 LYS 115 1HE LYS 115 -15.508 -2.685 4.675 778 HE3 LYS 115 2HE LYS 115 -14.830 -1.924 3.237 779 HZ1 LYS 115 1HZ LYS 115 -16.089 -3.273 2.039 780 HZ2 LYS 115 2HZ LYS 115 -16.609 -4.112 3.412 781 HZ3 LYS 115 3HZ LYS 115 -15.199 -4.593 2.610 782 H ALA 116 H ALA 116 -9.707 -3.901 0.820 783 HA ALA 116 HA ALA 116 -11.303 -3.861 -1.658 784 HB1 ALA 116 1HB ALA 116 -8.847 -5.400 -1.806 785 HB2 ALA 116 2HB ALA 116 -9.443 -4.114 -2.858 786 HB3 ALA 116 3HB ALA 116 -8.559 -3.711 -1.386 787 H ASP 117 H ASP 117 -12.901 -5.304 -1.365 788 HA ASP 117 HA ASP 117 -12.641 -7.675 0.182 789 HB2 ASP 117 1HB ASP 117 -14.728 -6.589 -1.679 790 HB3 ASP 117 2HB ASP 117 -14.846 -8.248 -1.097 791 H ILE 118 H ILE 118 -11.361 -9.298 -0.408 792 HA ILE 118 HA ILE 118 -10.967 -9.904 -3.233 793 HB ILE 118 HB ILE 118 -9.647 -11.075 -0.782 794 HG12 ILE 118 1HG1 ILE 118 -9.095 -8.701 -1.221 795 HG13 ILE 118 2HG1 ILE 118 -7.707 -9.761 -1.441 796 HG21 ILE 118 1HG2 ILE 118 -8.071 -11.543 -3.035 797 HG22 ILE 118 2HG2 ILE 118 -8.992 -12.729 -2.112 798 HG23 ILE 118 3HG2 ILE 118 -9.714 -11.957 -3.523 799 HD11 ILE 118 1HD1 ILE 118 -9.081 -9.474 -3.926 800 HD12 ILE 118 2HD1 ILE 118 -8.751 -7.883 -3.239 801 HD13 ILE 118 3HD1 ILE 118 -7.430 -9.021 -3.501 802 H GLU 119 H GLU 119 -11.988 -11.495 -4.254 803 HA GLU 119 HA GLU 119 -13.464 -13.463 -2.639 804 HB2 GLU 119 1HB GLU 119 -13.962 -12.579 -5.487 805 HB3 GLU 119 2HB GLU 119 -14.927 -13.743 -4.591 806 HG2 GLU 119 1HG GLU 119 -14.593 -10.829 -3.922 807 HG3 GLU 119 2HG GLU 119 -16.010 -11.576 -4.655 808 H MET 120 H MET 120 -13.536 -15.656 -3.360 809 HA MET 120 HA MET 120 -11.007 -16.555 -4.403 810 HB2 MET 120 1HB MET 120 -13.396 -17.837 -3.171 811 HB3 MET 120 2HB MET 120 -12.357 -18.840 -4.175 812 HG2 MET 120 1HG MET 120 -11.084 -17.161 -2.086 813 HG3 MET 120 2HG MET 120 -11.978 -18.592 -1.579 814 HE1 MET 120 1HE MET 120 -8.928 -20.664 -1.324 815 HE2 MET 120 2HE MET 120 -9.144 -19.069 -0.602 816 HE3 MET 120 3HE MET 120 -10.511 -20.179 -0.716 817 HA PRO 121 HA PRO 121 -12.372 -16.693 -8.624 818 HB2 PRO 121 1HB PRO 121 -10.187 -17.965 -9.613 819 HB3 PRO 121 2HB PRO 121 -10.185 -16.253 -9.176 820 HG2 PRO 121 1HG PRO 121 -9.182 -18.606 -7.621 821 HG3 PRO 121 2HG PRO 121 -8.436 -17.013 -7.845 822 HD2 PRO 121 1HD PRO 121 -9.790 -17.683 -5.599 823 HD3 PRO 121 2HD PRO 121 -9.759 -16.027 -6.236 824 H PHE 122 H PHE 122 -13.032 -18.245 -10.174 825 HA PHE 122 HA PHE 122 -13.075 -21.032 -9.235 826 HB2 PHE 122 1HB PHE 122 -15.262 -20.398 -8.741 827 HB3 PHE 122 2HB PHE 122 -15.366 -19.315 -10.125 828 HD1 PHE 122 2HD PHE 122 -14.919 -22.943 -9.384 829 HD2 PHE 122 1HD PHE 122 -16.621 -19.983 -11.924 830 HE1 PHE 122 2HE PHE 122 -16.054 -24.706 -10.671 831 HE2 PHE 122 1HE PHE 122 -17.760 -21.741 -13.216 832 HZ PHE 122 HZ PHE 122 -17.476 -24.106 -12.590 833 H ASP 123 H ASP 123 -12.756 -22.574 -10.764 834 HA ASP 123 HA ASP 123 -12.039 -21.621 -13.437 835 HB2 ASP 123 1HB ASP 123 -11.344 -24.056 -11.830 836 HB3 ASP 123 2HB ASP 123 -11.166 -24.080 -13.583 837 HA PRO 124 HA PRO 124 -15.688 -23.281 -15.259 838 HB2 PRO 124 1HB PRO 124 -14.800 -23.531 -17.812 839 HB3 PRO 124 2HB PRO 124 -15.189 -21.971 -17.079 840 HG2 PRO 124 1HG PRO 124 -12.521 -23.276 -17.452 841 HG3 PRO 124 2HG PRO 124 -12.985 -21.584 -17.711 842 HD2 PRO 124 1HD PRO 124 -11.688 -22.416 -15.484 843 HD3 PRO 124 2HD PRO 124 -12.850 -21.073 -15.467 844 H SER 125 H SER 125 -16.544 -25.204 -16.144 845 HA SER 125 HA SER 125 -14.868 -27.545 -15.667 846 HB2 SER 125 1HB SER 125 -17.806 -27.031 -15.776 847 HB3 SER 125 2HB SER 125 -17.236 -28.655 -16.160 848 HG SER 125 HG SER 125 -17.351 -28.813 -14.043 849 H SER 126 H SER 126 -15.350 -29.461 -17.180 850 HA SER 126 HA SER 126 -15.739 -28.653 -19.956 851 HB2 SER 126 1HB SER 126 -13.193 -29.843 -18.865 852 HB3 SER 126 2HB SER 126 -13.636 -29.991 -20.565 853 HG SER 126 HG SER 126 -12.353 -28.169 -20.287 854 H GLY 127 H GLY 127 -16.186 -30.406 -21.382 855 HA2 GLY 127 1HA GLY 127 -16.143 -33.028 -21.229 856 HA3 GLY 127 2HA GLY 127 -17.325 -32.705 -19.970 857 HA PRO 128 HA PRO 128 -19.192 -31.403 -24.274 858 HB2 PRO 128 1HB PRO 128 -18.069 -32.666 -26.398 859 HB3 PRO 128 2HB PRO 128 -17.518 -31.090 -25.817 860 HG2 PRO 128 1HG PRO 128 -16.364 -33.806 -25.309 861 HG3 PRO 128 2HG PRO 128 -15.529 -32.288 -25.688 862 HD2 PRO 128 1HD PRO 128 -15.710 -33.261 -23.168 863 HD3 PRO 128 2HD PRO 128 -15.672 -31.521 -23.519 864 H SER 129 H SER 129 -18.291 -34.430 -23.048 865 HA SER 129 HA SER 129 -19.662 -36.248 -24.631 866 HB2 SER 129 1HB SER 129 -19.229 -36.245 -21.637 867 HB3 SER 129 2HB SER 129 -19.844 -37.628 -22.542 868 HG SER 129 HG SER 129 -17.721 -37.994 -22.528 869 H SER 130 H SER 130 -21.668 -35.844 -25.354 870 HA SER 130 HA SER 130 -23.815 -35.724 -23.389 871 HB2 SER 130 1HB SER 130 -23.350 -33.364 -23.856 872 HB3 SER 130 2HB SER 130 -23.510 -33.662 -25.586 873 HG SER 130 HG SER 130 -25.408 -32.833 -24.257 874 H GLY 131 H GLY 131 -25.286 -37.185 -23.933 875 HA2 GLY 131 1HA GLY 131 -26.956 -37.794 -25.665 876 HA3 GLY 131 2HA GLY 131 -25.615 -37.826 -26.801 Start of MODEL 11 1 H1 GLY 1 H GLY 1 40.906 24.161 -64.681 2 HA2 GLY 1 1HA GLY 1 42.659 25.744 -63.854 3 HA3 GLY 1 2HA GLY 1 42.394 26.626 -65.351 4 H SER 2 H SER 2 42.064 28.393 -63.736 5 HA SER 2 HA SER 2 40.716 29.853 -62.626 6 HB2 SER 2 1HB SER 2 38.740 28.403 -64.375 7 HB3 SER 2 2HB SER 2 38.225 29.692 -63.287 8 HG SER 2 HG SER 2 39.049 31.104 -64.605 9 H SER 3 H SER 3 41.461 27.620 -61.152 10 HA SER 3 HA SER 3 39.171 26.495 -59.826 11 HB2 SER 3 1HB SER 3 41.369 25.300 -60.105 12 HB3 SER 3 2HB SER 3 42.059 26.416 -58.927 13 HG SER 3 HG SER 3 40.048 24.469 -58.546 14 H GLY 4 H GLY 4 38.195 27.163 -58.003 15 HA2 GLY 4 1HA GLY 4 39.139 28.452 -55.823 16 HA3 GLY 4 2HA GLY 4 38.896 29.768 -56.963 17 H SER 5 H SER 5 37.370 27.422 -54.917 18 HA SER 5 HA SER 5 34.903 28.948 -55.012 19 HB2 SER 5 1HB SER 5 35.098 26.079 -55.911 20 HB3 SER 5 2HB SER 5 33.594 26.742 -55.272 21 HG SER 5 HG SER 5 33.625 26.970 -57.508 22 H SER 6 H SER 6 33.830 28.932 -53.104 23 HA SER 6 HA SER 6 34.155 26.854 -51.157 24 HB2 SER 6 1HB SER 6 36.247 28.470 -51.070 25 HB3 SER 6 2HB SER 6 35.135 29.502 -50.172 26 HG SER 6 HG SER 6 35.521 26.781 -49.513 27 H GLY 7 H GLY 7 33.174 27.692 -48.959 28 HA2 GLY 7 1HA GLY 7 31.026 29.626 -49.447 29 HA3 GLY 7 2HA GLY 7 30.572 27.991 -48.991 30 H ASP 8 H ASP 8 29.701 28.362 -47.014 31 HA ASP 8 HA ASP 8 31.480 28.748 -44.826 32 HB2 ASP 8 1HB ASP 8 30.739 30.828 -43.968 33 HB3 ASP 8 2HB ASP 8 31.072 31.116 -45.674 34 H VAL 9 H VAL 9 30.316 28.686 -42.720 35 HA VAL 9 HA VAL 9 27.738 27.278 -42.986 36 HB VAL 9 HB VAL 9 29.365 25.654 -42.335 37 HG11 VAL 9 1HG1 VAL 9 30.837 25.908 -40.429 38 HG12 VAL 9 2HG1 VAL 9 31.087 27.240 -41.560 39 HG13 VAL 9 3HG1 VAL 9 30.157 27.498 -40.083 40 HG21 VAL 9 1HG2 VAL 9 27.116 26.205 -40.873 41 HG22 VAL 9 2HG2 VAL 9 28.089 24.740 -40.737 42 HG23 VAL 9 3HG2 VAL 9 28.358 26.083 -39.626 43 H THR 10 H THR 10 26.090 27.930 -41.721 44 HA THR 10 HA THR 10 26.567 29.566 -39.373 45 HB THR 10 HB THR 10 24.893 31.301 -40.215 46 HG1 THR 10 1HG THR 10 25.377 29.812 -42.539 47 HG21 THR 10 1HG2 THR 10 26.625 32.607 -41.350 48 HG22 THR 10 2HG2 THR 10 27.594 31.149 -41.561 49 HG23 THR 10 3HG2 THR 10 27.282 31.774 -39.942 50 H TYR 11 H TYR 11 24.528 30.048 -38.205 51 HA TYR 11 HA TYR 11 22.215 28.451 -38.913 52 HB2 TYR 11 1HB TYR 11 24.068 27.746 -36.683 53 HB3 TYR 11 2HB TYR 11 22.340 27.528 -36.429 54 HD1 TYR 11 2HD TYR 11 21.154 26.340 -38.564 55 HD2 TYR 11 1HD TYR 11 25.223 25.894 -37.404 56 HE1 TYR 11 2HE TYR 11 21.249 24.185 -39.745 57 HE2 TYR 11 1HE TYR 11 25.330 23.739 -38.584 58 HH TYR 11 HH TYR 11 22.472 22.386 -40.199 59 H ASP 12 H ASP 12 20.528 29.714 -38.559 60 HA ASP 12 HA ASP 12 20.700 31.762 -36.458 61 HB2 ASP 12 1HB ASP 12 19.262 31.599 -39.071 62 HB3 ASP 12 2HB ASP 12 18.558 32.575 -37.785 63 H GLY 13 H GLY 13 19.884 31.006 -34.602 64 HA2 GLY 13 1HA GLY 13 17.110 30.390 -34.407 65 HA3 GLY 13 2HA GLY 13 18.085 28.936 -34.249 66 H HIS 14 H HIS 14 16.893 31.727 -32.691 67 HA HIS 14 HA HIS 14 18.645 32.189 -30.625 68 HB2 HIS 14 1HB HIS 14 16.375 32.540 -29.286 69 HB3 HIS 14 2HB HIS 14 16.882 33.653 -30.552 70 HD1 HIS 14 1HD HIS 14 15.357 33.912 -32.529 71 HD2 HIS 14 2HD HIS 14 14.328 30.681 -30.128 72 HE1 HIS 14 1HE HIS 14 13.149 33.095 -33.412 73 HE2 HIS 14 2HE HIS 14 12.505 31.193 -31.890 74 HA PRO 15 HA PRO 15 18.788 28.606 -28.094 75 HB2 PRO 15 1HB PRO 15 19.112 29.716 -25.637 76 HB3 PRO 15 2HB PRO 15 20.391 29.693 -26.857 77 HG2 PRO 15 1HG PRO 15 18.512 31.905 -26.124 78 HG3 PRO 15 2HG PRO 15 20.252 31.980 -26.458 79 HD2 PRO 15 1HD PRO 15 18.385 32.680 -28.290 80 HD3 PRO 15 2HD PRO 15 19.942 31.956 -28.742 81 H VAL 16 H VAL 16 17.705 27.451 -26.366 82 HA VAL 16 HA VAL 16 14.942 27.549 -26.463 83 HB VAL 16 HB VAL 16 14.946 26.119 -24.447 84 HG11 VAL 16 1HG1 VAL 16 16.738 25.581 -26.765 85 HG12 VAL 16 2HG1 VAL 16 16.680 24.415 -25.442 86 HG13 VAL 16 3HG1 VAL 16 15.208 24.825 -26.323 87 HG21 VAL 16 1HG2 VAL 16 17.827 25.848 -24.252 88 HG22 VAL 16 2HG2 VAL 16 17.282 27.469 -23.822 89 HG23 VAL 16 3HG2 VAL 16 16.626 26.066 -22.979 90 HA PRO 17 HA PRO 17 13.650 30.794 -23.799 91 HB2 PRO 17 1HB PRO 17 11.310 29.779 -22.869 92 HB3 PRO 17 2HB PRO 17 11.513 30.364 -24.524 93 HG2 PRO 17 1HG PRO 17 11.584 27.557 -23.486 94 HG3 PRO 17 2HG PRO 17 10.803 28.190 -24.947 95 HD2 PRO 17 1HD PRO 17 13.186 26.905 -25.008 96 HD3 PRO 17 2HD PRO 17 12.773 28.205 -26.144 97 H GLY 18 H GLY 18 12.949 31.252 -21.530 98 HA2 GLY 18 1HA GLY 18 13.119 29.371 -19.458 99 HA3 GLY 18 2HA GLY 18 14.715 30.069 -19.685 100 H SER 19 H SER 19 11.582 30.508 -18.384 101 HA SER 19 HA SER 19 12.269 33.264 -17.596 102 HB2 SER 19 1HB SER 19 9.681 31.965 -18.311 103 HB3 SER 19 2HB SER 19 9.656 33.228 -17.081 104 HG SER 19 HG SER 19 10.799 34.551 -18.643 105 HA PRO 20 HA PRO 20 12.363 32.123 -13.361 106 HB2 PRO 20 1HB PRO 20 11.255 34.295 -12.168 107 HB3 PRO 20 2HB PRO 20 12.868 34.314 -12.891 108 HG2 PRO 20 1HG PRO 20 10.274 35.292 -14.022 109 HG3 PRO 20 2HG PRO 20 11.875 36.054 -14.071 110 HD2 PRO 20 1HD PRO 20 10.845 34.690 -16.172 111 HD3 PRO 20 2HD PRO 20 12.586 34.739 -15.826 112 H TYR 21 H TYR 21 9.346 32.816 -14.882 113 HA TYR 21 HA TYR 21 7.793 31.879 -12.597 114 HB2 TYR 21 1HB TYR 21 7.113 33.171 -15.216 115 HB3 TYR 21 2HB TYR 21 5.872 32.300 -14.322 116 HD1 TYR 21 1HD TYR 21 5.934 32.951 -11.670 117 HD2 TYR 21 2HD TYR 21 7.139 35.447 -14.898 118 HE1 TYR 21 1HE TYR 21 5.539 34.937 -10.273 119 HE2 TYR 21 2HE TYR 21 6.749 37.440 -13.510 120 HH TYR 21 HH TYR 21 6.732 37.716 -10.650 121 H THR 22 H THR 22 9.451 29.921 -13.539 122 HA THR 22 HA THR 22 8.520 28.246 -15.542 123 HB THR 22 HB THR 22 10.684 27.964 -14.333 124 HG1 THR 22 1HG THR 22 10.396 25.557 -14.211 125 HG21 THR 22 1HG2 THR 22 8.927 26.746 -12.198 126 HG22 THR 22 2HG2 THR 22 9.888 28.217 -12.045 127 HG23 THR 22 3HG2 THR 22 10.687 26.658 -12.245 128 H VAL 23 H VAL 23 7.385 26.193 -15.386 129 HA VAL 23 HA VAL 23 5.014 26.440 -13.724 130 HB VAL 23 HB VAL 23 4.204 24.465 -15.025 131 HG11 VAL 23 1HG1 VAL 23 5.004 26.326 -17.146 132 HG12 VAL 23 2HG1 VAL 23 3.396 25.844 -16.603 133 HG13 VAL 23 3HG1 VAL 23 4.286 27.090 -15.728 134 HG21 VAL 23 1HG2 VAL 23 6.746 24.865 -16.600 135 HG22 VAL 23 2HG2 VAL 23 6.417 23.506 -15.525 136 HG23 VAL 23 3HG2 VAL 23 5.446 23.735 -16.978 137 H GLU 24 H GLU 24 4.125 24.184 -12.964 138 HA GLU 24 HA GLU 24 4.328 22.788 -11.138 139 HB2 GLU 24 1HB GLU 24 5.579 20.792 -11.682 140 HB3 GLU 24 2HB GLU 24 4.771 21.381 -13.127 141 HG2 GLU 24 1HG GLU 24 6.918 22.465 -13.792 142 HG3 GLU 24 2HG GLU 24 7.683 21.647 -12.430 143 H ALA 25 H ALA 25 5.828 25.179 -10.759 144 HA ALA 25 HA ALA 25 8.464 24.806 -9.934 145 HB1 ALA 25 1HB ALA 25 6.401 26.731 -8.873 146 HB2 ALA 25 2HB ALA 25 8.135 26.831 -8.565 147 HB3 ALA 25 3HB ALA 25 7.519 27.013 -10.207 148 H SER 26 H SER 26 8.926 25.378 -7.417 149 HA SER 26 HA SER 26 8.503 22.975 -6.034 150 HB2 SER 26 1HB SER 26 10.371 24.651 -5.658 151 HB3 SER 26 2HB SER 26 9.210 25.617 -4.748 152 HG SER 26 HG SER 26 9.893 22.922 -4.174 153 H LEU 27 H LEU 27 6.511 22.316 -5.503 154 HA LEU 27 HA LEU 27 4.758 24.219 -4.094 155 HB2 LEU 27 1HB LEU 27 3.990 21.805 -5.728 156 HB3 LEU 27 2HB LEU 27 2.869 22.857 -4.865 157 HG LEU 27 HG LEU 27 4.646 24.065 -6.928 158 HD11 LEU 27 1HD1 LEU 27 2.837 23.546 -8.613 159 HD12 LEU 27 2HD1 LEU 27 2.270 22.311 -7.489 160 HD13 LEU 27 3HD1 LEU 27 3.894 22.205 -8.170 161 HD21 LEU 27 1HD2 LEU 27 3.272 25.561 -5.686 162 HD22 LEU 27 2HD2 LEU 27 1.848 24.546 -5.921 163 HD23 LEU 27 3HD2 LEU 27 2.557 25.404 -7.290 164 HA PRO 28 HA PRO 28 4.950 21.661 -0.526 165 HB2 PRO 28 1HB PRO 28 2.537 22.214 0.589 166 HB3 PRO 28 2HB PRO 28 3.880 23.364 0.585 167 HG2 PRO 28 1HG PRO 28 1.500 23.225 -1.226 168 HG3 PRO 28 2HG PRO 28 2.248 24.643 -0.468 169 HD2 PRO 28 1HD PRO 28 2.693 23.968 -3.052 170 HD3 PRO 28 2HD PRO 28 3.924 24.760 -2.047 171 HA PRO 29 HA PRO 29 2.954 17.832 -1.407 172 HB2 PRO 29 1HB PRO 29 2.994 16.705 1.063 173 HB3 PRO 29 2HB PRO 29 4.441 16.878 0.063 174 HG2 PRO 29 1HG PRO 29 3.491 18.583 2.334 175 HG3 PRO 29 2HG PRO 29 5.130 18.009 1.975 176 HD2 PRO 29 1HD PRO 29 4.302 20.518 1.381 177 HD3 PRO 29 2HD PRO 29 5.492 19.646 0.393 178 H ASP 30 H ASP 30 0.840 18.058 -1.927 179 HA ASP 30 HA ASP 30 -1.079 18.529 0.255 180 HB2 ASP 30 1HB ASP 30 -1.413 18.911 -2.729 181 HB3 ASP 30 2HB ASP 30 -2.667 19.196 -1.524 182 HA PRO 31 HA PRO 31 -1.798 14.116 -0.470 183 HB2 PRO 31 1HB PRO 31 -3.061 13.720 1.901 184 HB3 PRO 31 2HB PRO 31 -1.301 13.762 1.745 185 HG2 PRO 31 1HG PRO 31 -3.174 15.916 2.646 186 HG3 PRO 31 2HG PRO 31 -1.608 15.439 3.327 187 HD2 PRO 31 1HD PRO 31 -1.898 17.588 1.705 188 HD3 PRO 31 2HD PRO 31 -0.419 16.607 1.735 189 H SER 32 H SER 32 -4.064 16.615 0.535 190 HA SER 32 HA SER 32 -6.468 15.260 0.278 191 HB2 SER 32 1HB SER 32 -7.419 17.548 -0.311 192 HB3 SER 32 2HB SER 32 -6.509 17.455 1.197 193 HG SER 32 HG SER 32 -5.660 18.503 -1.293 194 H LYS 33 H LYS 33 -4.294 16.414 -2.169 195 HA LYS 33 HA LYS 33 -6.201 16.171 -4.322 196 HB2 LYS 33 1HB LYS 33 -3.198 16.440 -4.509 197 HB3 LYS 33 2HB LYS 33 -4.372 16.768 -5.776 198 HG2 LYS 33 1HG LYS 33 -4.594 18.292 -3.238 199 HG3 LYS 33 2HG LYS 33 -3.288 18.701 -4.352 200 HD2 LYS 33 1HD LYS 33 -4.919 20.078 -5.162 201 HD3 LYS 33 2HD LYS 33 -5.263 18.633 -6.115 202 HE2 LYS 33 1HE LYS 33 -7.362 19.078 -5.350 203 HE3 LYS 33 2HE LYS 33 -6.787 18.066 -4.026 204 HZ1 LYS 33 1HZ LYS 33 -7.482 20.853 -4.028 205 HZ2 LYS 33 2HZ LYS 33 -5.989 20.546 -3.295 206 HZ3 LYS 33 3HZ LYS 33 -7.382 19.765 -2.736 207 H VAL 34 H VAL 34 -3.892 14.151 -2.725 208 HA VAL 34 HA VAL 34 -3.504 12.247 -4.791 209 HB VAL 34 HB VAL 34 -3.242 11.943 -1.797 210 HG11 VAL 34 1HG1 VAL 34 -2.069 10.153 -3.913 211 HG12 VAL 34 2HG1 VAL 34 -2.085 9.906 -2.166 212 HG13 VAL 34 3HG1 VAL 34 -3.587 9.803 -3.086 213 HG21 VAL 34 1HG2 VAL 34 -0.745 11.963 -2.574 214 HG22 VAL 34 2HG2 VAL 34 -1.396 12.814 -3.974 215 HG23 VAL 34 3HG2 VAL 34 -1.620 13.478 -2.356 216 H LYS 35 H LYS 35 -5.179 11.224 -5.690 217 HA LYS 35 HA LYS 35 -7.164 9.987 -3.896 218 HB2 LYS 35 1HB LYS 35 -7.502 11.384 -6.525 219 HB3 LYS 35 2HB LYS 35 -8.628 10.112 -6.067 220 HG2 LYS 35 1HG LYS 35 -9.740 11.910 -5.243 221 HG3 LYS 35 2HG LYS 35 -8.752 11.519 -3.834 222 HD2 LYS 35 1HD LYS 35 -7.287 13.284 -4.216 223 HD3 LYS 35 2HD LYS 35 -7.745 13.424 -5.915 224 HE2 LYS 35 1HE LYS 35 -9.583 14.057 -3.612 225 HE3 LYS 35 2HE LYS 35 -8.598 15.259 -4.444 226 HZ1 LYS 35 1HZ LYS 35 -9.838 14.083 -6.497 227 HZ2 LYS 35 2HZ LYS 35 -10.415 15.468 -5.717 228 HZ3 LYS 35 3HZ LYS 35 -11.031 13.947 -5.305 229 H ALA 36 H ALA 36 -7.598 7.857 -4.166 230 HA ALA 36 HA ALA 36 -6.112 6.462 -6.295 231 HB1 ALA 36 1HB ALA 36 -5.149 5.507 -4.493 232 HB2 ALA 36 2HB ALA 36 -6.508 5.879 -3.432 233 HB3 ALA 36 3HB ALA 36 -6.595 4.497 -4.524 234 H HIS 37 H HIS 37 -7.459 5.942 -7.894 235 HA HIS 37 HA HIS 37 -10.043 4.720 -7.184 236 HB2 HIS 37 1HB HIS 37 -10.847 5.693 -9.419 237 HB3 HIS 37 2HB HIS 37 -10.671 6.808 -8.068 238 HD1 HIS 37 1HD HIS 37 -9.255 5.981 -11.413 239 HD2 HIS 37 2HD HIS 37 -8.592 8.687 -8.331 240 HE1 HIS 37 1HE HIS 37 -7.712 7.722 -12.367 241 HE2 HIS 37 2HE HIS 37 -7.257 9.301 -10.459 242 H GLY 38 H GLY 38 -10.425 2.773 -8.050 243 HA2 GLY 38 1HA GLY 38 -9.822 1.828 -10.548 244 HA3 GLY 38 2HA GLY 38 -8.377 1.501 -9.604 245 HA PRO 39 HA PRO 39 -11.517 -1.970 -9.153 246 HB2 PRO 39 1HB PRO 39 -9.949 -3.931 -10.186 247 HB3 PRO 39 2HB PRO 39 -11.026 -2.940 -11.177 248 HG2 PRO 39 1HG PRO 39 -8.077 -2.673 -10.737 249 HG3 PRO 39 2HG PRO 39 -9.001 -2.528 -12.244 250 HD2 PRO 39 1HD PRO 39 -8.145 -0.372 -10.847 251 HD3 PRO 39 2HD PRO 39 -9.653 -0.366 -11.784 252 H GLY 40 H GLY 40 -7.967 -2.257 -8.853 253 HA2 GLY 40 1HA GLY 40 -7.747 -4.188 -6.945 254 HA3 GLY 40 2HA GLY 40 -6.677 -2.796 -7.018 255 H LEU 41 H LEU 41 -9.050 -1.008 -6.502 256 HA LEU 41 HA LEU 41 -8.802 -1.001 -3.641 257 HB2 LEU 41 1HB LEU 41 -10.552 0.691 -5.418 258 HB3 LEU 41 2HB LEU 41 -10.174 1.003 -3.725 259 HG LEU 41 HG LEU 41 -8.145 1.013 -5.958 260 HD11 LEU 41 1HD1 LEU 41 -9.842 2.811 -6.167 261 HD12 LEU 41 2HD1 LEU 41 -8.213 3.409 -5.855 262 HD13 LEU 41 3HD1 LEU 41 -9.400 3.364 -4.551 263 HD21 LEU 41 1HD2 LEU 41 -7.505 0.526 -3.493 264 HD22 LEU 41 2HD2 LEU 41 -7.817 2.245 -3.252 265 HD23 LEU 41 3HD2 LEU 41 -6.587 1.724 -4.404 266 H GLU 42 H GLU 42 -11.476 -1.480 -5.935 267 HA GLU 42 HA GLU 42 -13.457 -1.963 -3.987 268 HB2 GLU 42 1HB GLU 42 -13.271 -2.792 -6.885 269 HB3 GLU 42 2HB GLU 42 -14.700 -3.042 -5.892 270 HG2 GLU 42 1HG GLU 42 -14.710 -0.556 -5.487 271 HG3 GLU 42 2HG GLU 42 -13.477 -0.435 -6.741 272 H GLY 43 H GLY 43 -11.099 -4.033 -5.544 273 HA2 GLY 43 1HA GLY 43 -10.691 -5.937 -3.768 274 HA3 GLY 43 2HA GLY 43 -12.281 -6.421 -4.339 275 H GLY 44 H GLY 44 -10.969 -8.406 -4.848 276 HA2 GLY 44 1HA GLY 44 -10.506 -8.510 -7.651 277 HA3 GLY 44 2HA GLY 44 -8.982 -8.527 -6.776 278 H LEU 45 H LEU 45 -8.403 -10.606 -7.305 279 HA LEU 45 HA LEU 45 -10.029 -12.710 -6.049 280 HB2 LEU 45 1HB LEU 45 -8.711 -12.765 -8.754 281 HB3 LEU 45 2HB LEU 45 -9.263 -14.216 -7.919 282 HG LEU 45 HG LEU 45 -11.106 -11.942 -8.622 283 HD11 LEU 45 1HD1 LEU 45 -10.541 -12.543 -10.747 284 HD12 LEU 45 2HD1 LEU 45 -11.791 -13.744 -10.423 285 HD13 LEU 45 3HD1 LEU 45 -10.089 -14.184 -10.286 286 HD21 LEU 45 1HD2 LEU 45 -11.362 -14.599 -7.379 287 HD22 LEU 45 2HD2 LEU 45 -12.581 -14.201 -8.591 288 HD23 LEU 45 3HD2 LEU 45 -12.354 -13.153 -7.190 289 H VAL 46 H VAL 46 -8.878 -14.489 -5.217 290 HA VAL 46 HA VAL 46 -6.370 -13.872 -4.083 291 HB VAL 46 HB VAL 46 -7.647 -16.597 -4.350 292 HG11 VAL 46 1HG1 VAL 46 -6.333 -16.961 -2.191 293 HG12 VAL 46 2HG1 VAL 46 -5.418 -16.931 -3.699 294 HG13 VAL 46 3HG1 VAL 46 -5.424 -15.519 -2.642 295 HG21 VAL 46 1HG2 VAL 46 -8.925 -16.189 -2.497 296 HG22 VAL 46 2HG2 VAL 46 -7.824 -14.963 -1.869 297 HG23 VAL 46 3HG2 VAL 46 -8.903 -14.576 -3.209 298 H GLY 47 H GLY 47 -4.305 -14.584 -4.538 299 HA2 GLY 47 1HA GLY 47 -2.546 -15.329 -5.813 300 HA3 GLY 47 2HA GLY 47 -3.656 -16.502 -6.507 301 H LYS 48 H LYS 48 -4.878 -13.418 -6.904 302 HA LYS 48 HA LYS 48 -3.758 -13.257 -9.625 303 HB2 LYS 48 1HB LYS 48 -6.523 -12.712 -8.583 304 HB3 LYS 48 2HB LYS 48 -5.964 -11.977 -10.080 305 HG2 LYS 48 1HG LYS 48 -5.346 -14.437 -10.710 306 HG3 LYS 48 2HG LYS 48 -6.534 -14.835 -9.466 307 HD2 LYS 48 1HD LYS 48 -8.223 -13.534 -10.624 308 HD3 LYS 48 2HD LYS 48 -7.039 -13.033 -11.834 309 HE2 LYS 48 1HE LYS 48 -6.745 -15.649 -12.098 310 HE3 LYS 48 2HE LYS 48 -8.386 -15.658 -11.453 311 HZ1 LYS 48 1HZ LYS 48 -8.840 -15.467 -13.653 312 HZ2 LYS 48 2HZ LYS 48 -7.401 -14.656 -14.014 313 HZ3 LYS 48 3HZ LYS 48 -8.685 -13.820 -13.297 314 HA PRO 49 HA PRO 49 -2.188 -9.273 -8.615 315 HB2 PRO 49 1HB PRO 49 -2.069 -8.198 -11.105 316 HB3 PRO 49 2HB PRO 49 -0.943 -9.437 -10.539 317 HG2 PRO 49 1HG PRO 49 -3.383 -9.733 -12.249 318 HG3 PRO 49 2HG PRO 49 -1.791 -10.492 -12.430 319 HD2 PRO 49 1HD PRO 49 -3.910 -11.790 -11.354 320 HD3 PRO 49 2HD PRO 49 -2.238 -12.103 -10.843 321 H ALA 50 H ALA 50 -2.972 -7.307 -8.062 322 HA ALA 50 HA ALA 50 -5.391 -6.307 -9.372 323 HB1 ALA 50 1HB ALA 50 -5.990 -5.682 -6.814 324 HB2 ALA 50 2HB ALA 50 -6.600 -7.110 -7.651 325 HB3 ALA 50 3HB ALA 50 -5.199 -7.243 -6.590 326 H GLU 51 H GLU 51 -4.976 -4.303 -10.007 327 HA GLU 51 HA GLU 51 -3.389 -2.564 -8.242 328 HB2 GLU 51 1HB GLU 51 -2.626 -1.496 -10.498 329 HB3 GLU 51 2HB GLU 51 -1.825 -2.943 -9.903 330 HG2 GLU 51 1HG GLU 51 -3.069 -4.327 -11.410 331 HG3 GLU 51 2HG GLU 51 -4.061 -2.960 -11.914 332 H PHE 52 H PHE 52 -3.641 -0.197 -8.934 333 HA PHE 52 HA PHE 52 -6.274 0.391 -10.049 334 HB2 PHE 52 1HB PHE 52 -6.703 1.971 -8.106 335 HB3 PHE 52 2HB PHE 52 -6.845 0.253 -7.746 336 HD1 PHE 52 1HD PHE 52 -4.578 -0.853 -6.909 337 HD2 PHE 52 2HD PHE 52 -5.547 3.282 -6.627 338 HE1 PHE 52 1HE PHE 52 -2.961 -0.603 -5.072 339 HE2 PHE 52 2HE PHE 52 -3.930 3.539 -4.790 340 HZ PHE 52 HZ PHE 52 -2.634 1.595 -4.011 341 H THR 53 H THR 53 -6.551 2.935 -9.958 342 HA THR 53 HA THR 53 -4.066 4.037 -11.076 343 HB THR 53 HB THR 53 -6.832 5.183 -11.446 344 HG1 THR 53 1HG THR 53 -6.615 2.961 -12.238 345 HG21 THR 53 1HG2 THR 53 -5.158 5.601 -13.671 346 HG22 THR 53 2HG2 THR 53 -4.185 5.953 -12.243 347 HG23 THR 53 3HG2 THR 53 -5.712 6.795 -12.499 348 H ILE 54 H ILE 54 -3.002 5.515 -9.947 349 HA ILE 54 HA ILE 54 -4.438 6.968 -7.826 350 HB ILE 54 HB ILE 54 -1.485 6.374 -8.051 351 HG12 ILE 54 1HG1 ILE 54 -3.537 5.326 -6.090 352 HG13 ILE 54 2HG1 ILE 54 -2.928 4.426 -7.475 353 HG21 ILE 54 1HG2 ILE 54 -1.265 7.382 -5.866 354 HG22 ILE 54 2HG2 ILE 54 -1.980 8.542 -6.984 355 HG23 ILE 54 3HG2 ILE 54 -2.997 7.708 -5.810 356 HD11 ILE 54 1HD1 ILE 54 -1.317 3.650 -6.180 357 HD12 ILE 54 2HD1 ILE 54 -0.670 5.287 -6.066 358 HD13 ILE 54 3HD1 ILE 54 -1.815 4.705 -4.857 359 H ASP 55 H ASP 55 -4.508 9.138 -7.847 360 HA ASP 55 HA ASP 55 -3.170 10.505 -10.075 361 HB2 ASP 55 1HB ASP 55 -5.596 10.746 -10.038 362 HB3 ASP 55 2HB ASP 55 -5.533 11.351 -8.385 363 H THR 56 H THR 56 -1.602 11.942 -9.723 364 HA THR 56 HA THR 56 -1.182 12.894 -6.964 365 HB THR 56 HB THR 56 1.258 12.944 -7.471 366 HG1 THR 56 1HG THR 56 0.680 11.264 -9.678 367 HG21 THR 56 1HG2 THR 56 -0.391 10.535 -7.182 368 HG22 THR 56 2HG2 THR 56 1.004 11.073 -6.246 369 HG23 THR 56 3HG2 THR 56 1.240 10.231 -7.778 370 H LYS 57 H LYS 57 -1.381 13.657 -10.321 371 HA LYS 57 HA LYS 57 -0.063 16.089 -10.477 372 HB2 LYS 57 1HB LYS 57 -1.741 16.643 -12.273 373 HB3 LYS 57 2HB LYS 57 -0.910 15.106 -12.475 374 HG2 LYS 57 1HG LYS 57 -2.896 13.989 -11.454 375 HG3 LYS 57 2HG LYS 57 -3.721 15.549 -11.499 376 HD2 LYS 57 1HD LYS 57 -4.436 14.693 -13.491 377 HD3 LYS 57 2HD LYS 57 -2.945 15.466 -14.033 378 HE2 LYS 57 1HE LYS 57 -3.061 13.248 -14.958 379 HE3 LYS 57 2HE LYS 57 -1.775 13.301 -13.754 380 HZ1 LYS 57 1HZ LYS 57 -4.144 11.707 -13.805 381 HZ2 LYS 57 2HZ LYS 57 -3.995 12.554 -12.349 382 HZ3 LYS 57 3HZ LYS 57 -2.750 11.531 -12.863 383 H GLY 58 H GLY 58 -0.252 17.720 -9.079 384 HA2 GLY 58 1HA GLY 58 -1.674 19.690 -8.627 385 HA3 GLY 58 2HA GLY 58 -2.983 18.559 -8.318 386 H ALA 59 H ALA 59 -0.844 16.806 -6.964 387 HA ALA 59 HA ALA 59 -1.386 17.694 -4.314 388 HB1 ALA 59 1HB ALA 59 -0.176 15.373 -5.581 389 HB2 ALA 59 2HB ALA 59 0.625 15.829 -4.076 390 HB3 ALA 59 3HB ALA 59 -1.107 15.493 -4.088 391 H GLY 60 H GLY 60 1.596 17.537 -6.259 392 HA2 GLY 60 1HA GLY 60 2.921 19.702 -5.998 393 HA3 GLY 60 2HA GLY 60 2.871 19.319 -4.284 394 H THR 61 H THR 61 4.554 18.257 -3.485 395 HA THR 61 HA THR 61 5.952 16.268 -5.058 396 HB THR 61 HB THR 61 7.461 18.680 -4.034 397 HG1 THR 61 1HG THR 61 7.661 19.243 -6.188 398 HG21 THR 61 1HG2 THR 61 9.358 17.542 -4.373 399 HG22 THR 61 2HG2 THR 61 8.798 16.922 -5.926 400 HG23 THR 61 3HG2 THR 61 8.357 16.093 -4.434 401 H GLY 62 H GLY 62 6.667 14.663 -3.790 402 HA2 GLY 62 1HA GLY 62 7.880 14.849 -1.315 403 HA3 GLY 62 2HA GLY 62 6.157 14.732 -0.986 404 H GLY 63 H GLY 63 6.399 12.723 0.038 405 HA2 GLY 63 1HA GLY 63 6.966 10.502 -1.828 406 HA3 GLY 63 2HA GLY 63 7.466 10.465 -0.143 407 H LEU 64 H LEU 64 5.868 8.493 -1.379 408 HA LEU 64 HA LEU 64 3.381 8.823 0.159 409 HB2 LEU 64 1HB LEU 64 2.825 9.063 -2.171 410 HB3 LEU 64 2HB LEU 64 3.709 7.592 -2.571 411 HG LEU 64 HG LEU 64 2.023 6.349 -1.148 412 HD11 LEU 64 1HD1 LEU 64 1.196 8.986 -0.567 413 HD12 LEU 64 2HD1 LEU 64 0.493 7.469 -0.005 414 HD13 LEU 64 3HD1 LEU 64 -0.099 8.219 -1.487 415 HD21 LEU 64 1HD2 LEU 64 0.590 6.047 -2.950 416 HD22 LEU 64 2HD2 LEU 64 2.065 6.642 -3.711 417 HD23 LEU 64 3HD2 LEU 64 0.703 7.733 -3.453 418 H GLY 65 H GLY 65 2.808 7.142 1.434 419 HA2 GLY 65 1HA GLY 65 4.548 4.758 1.325 420 HA3 GLY 65 2HA GLY 65 3.855 5.407 2.804 421 H LEU 66 H LEU 66 3.626 2.916 0.749 422 HA LEU 66 HA LEU 66 0.723 2.617 1.162 423 HB2 LEU 66 1HB LEU 66 1.711 2.737 -1.225 424 HB3 LEU 66 2HB LEU 66 2.273 1.098 -0.902 425 HG LEU 66 HG LEU 66 -0.152 0.517 -0.422 426 HD11 LEU 66 1HD1 LEU 66 -1.172 2.604 -0.095 427 HD12 LEU 66 2HD1 LEU 66 -1.752 2.053 -1.666 428 HD13 LEU 66 3HD1 LEU 66 -0.480 3.271 -1.574 429 HD21 LEU 66 1HD2 LEU 66 0.361 -0.417 -2.397 430 HD22 LEU 66 2HD2 LEU 66 1.156 1.039 -2.996 431 HD23 LEU 66 3HD2 LEU 66 -0.601 0.897 -3.074 432 H THR 67 H THR 67 0.182 1.140 2.612 433 HA THR 67 HA THR 67 1.856 -1.256 2.905 434 HB THR 67 HB THR 67 1.232 -1.080 5.432 435 HG1 THR 67 1HG THR 67 1.188 1.183 6.068 436 HG21 THR 67 1HG2 THR 67 3.265 0.966 4.850 437 HG22 THR 67 2HG2 THR 67 3.499 -0.574 4.023 438 HG23 THR 67 3HG2 THR 67 3.390 -0.525 5.782 439 H VAL 68 H VAL 68 0.734 -3.103 2.954 440 HA VAL 68 HA VAL 68 -2.168 -2.963 2.856 441 HB VAL 68 HB VAL 68 -0.185 -5.153 2.300 442 HG11 VAL 68 1HG1 VAL 68 -3.070 -5.383 2.945 443 HG12 VAL 68 2HG1 VAL 68 -2.454 -6.353 1.606 444 HG13 VAL 68 3HG1 VAL 68 -1.753 -6.523 3.216 445 HG21 VAL 68 1HG2 VAL 68 -2.075 -4.871 0.251 446 HG22 VAL 68 2HG2 VAL 68 -1.656 -3.231 0.747 447 HG23 VAL 68 3HG2 VAL 68 -0.390 -4.349 0.237 448 H GLU 69 H GLU 69 -3.271 -3.033 4.695 449 HA GLU 69 HA GLU 69 -2.178 -4.538 6.964 450 HB2 GLU 69 1HB GLU 69 -4.171 -2.301 6.741 451 HB3 GLU 69 2HB GLU 69 -4.096 -3.298 8.187 452 HG2 GLU 69 1HG GLU 69 -1.844 -1.660 7.046 453 HG3 GLU 69 2HG GLU 69 -2.815 -1.257 8.461 454 H GLY 70 H GLY 70 -2.880 -6.476 5.607 455 HA2 GLY 70 1HA GLY 70 -5.737 -7.054 6.082 456 HA3 GLY 70 2HA GLY 70 -4.780 -7.778 4.797 457 HA PRO 71 HA PRO 71 -4.976 -10.719 8.401 458 HB2 PRO 71 1HB PRO 71 -5.755 -12.864 6.930 459 HB3 PRO 71 2HB PRO 71 -6.899 -11.710 7.626 460 HG2 PRO 71 1HG PRO 71 -5.842 -11.878 4.830 461 HG3 PRO 71 2HG PRO 71 -7.499 -11.574 5.384 462 HD2 PRO 71 1HD PRO 71 -5.851 -9.589 4.560 463 HD3 PRO 71 2HD PRO 71 -7.080 -9.349 5.818 464 H CYS 72 H CYS 72 -3.270 -10.350 5.507 465 HA CYS 72 HA CYS 72 -1.100 -11.985 6.503 466 HB2 CYS 72 1HB CYS 72 -2.710 -13.388 4.983 467 HB3 CYS 72 2HB CYS 72 -1.928 -12.513 3.672 468 HG CYS 72 HG CYS 72 0.201 -13.902 5.855 469 H GLU 73 H GLU 73 0.900 -11.666 5.270 470 HA GLU 73 HA GLU 73 1.121 -8.913 4.422 471 HB2 GLU 73 1HB GLU 73 2.849 -9.788 5.861 472 HB3 GLU 73 2HB GLU 73 3.172 -11.106 4.743 473 HG2 GLU 73 1HG GLU 73 3.971 -9.508 3.082 474 HG3 GLU 73 2HG GLU 73 3.641 -8.183 4.197 475 H ALA 74 H ALA 74 0.154 -8.702 2.439 476 HA ALA 74 HA ALA 74 0.878 -10.502 0.274 477 HB1 ALA 74 1HB ALA 74 -0.803 -8.067 -0.117 478 HB2 ALA 74 2HB ALA 74 -0.904 -9.642 -0.904 479 HB3 ALA 74 3HB ALA 74 -1.460 -9.450 0.758 480 H LYS 75 H LYS 75 2.140 -9.996 -1.456 481 HA LYS 75 HA LYS 75 4.130 -8.035 -1.170 482 HB2 LYS 75 1HB LYS 75 4.016 -10.221 -2.634 483 HB3 LYS 75 2HB LYS 75 3.418 -9.118 -3.866 484 HG2 LYS 75 1HG LYS 75 5.516 -7.717 -3.273 485 HG3 LYS 75 2HG LYS 75 6.104 -9.224 -2.567 486 HD2 LYS 75 1HD LYS 75 5.043 -9.073 -5.377 487 HD3 LYS 75 2HD LYS 75 6.736 -8.754 -4.992 488 HE2 LYS 75 1HE LYS 75 7.041 -10.957 -4.149 489 HE3 LYS 75 2HE LYS 75 5.309 -11.282 -4.190 490 HZ1 LYS 75 1HZ LYS 75 6.885 -10.699 -6.630 491 HZ2 LYS 75 2HZ LYS 75 5.326 -11.346 -6.530 492 HZ3 LYS 75 3HZ LYS 75 6.657 -12.270 -6.044 493 H ILE 76 H ILE 76 4.501 -6.093 -2.270 494 HA ILE 76 HA ILE 76 2.217 -4.951 -3.721 495 HB ILE 76 HB ILE 76 3.771 -3.440 -1.620 496 HG12 ILE 76 1HG1 ILE 76 0.895 -4.325 -1.426 497 HG13 ILE 76 2HG1 ILE 76 2.217 -5.297 -0.789 498 HG21 ILE 76 1HG2 ILE 76 1.299 -2.231 -2.220 499 HG22 ILE 76 2HG2 ILE 76 2.918 -1.631 -2.578 500 HG23 ILE 76 3HG2 ILE 76 2.064 -2.623 -3.759 501 HD11 ILE 76 1HD1 ILE 76 1.595 -4.142 1.075 502 HD12 ILE 76 2HD1 ILE 76 2.838 -3.065 0.437 503 HD13 ILE 76 3HD1 ILE 76 1.133 -2.703 0.167 504 H GLU 77 H GLU 77 3.019 -4.674 -5.706 505 HA GLU 77 HA GLU 77 5.760 -3.685 -6.019 506 HB2 GLU 77 1HB GLU 77 4.662 -5.740 -7.275 507 HB3 GLU 77 2HB GLU 77 4.065 -4.479 -8.345 508 HG2 GLU 77 1HG GLU 77 6.957 -4.514 -7.656 509 HG3 GLU 77 2HG GLU 77 6.340 -5.699 -8.806 510 H CYS 78 H CYS 78 5.818 -1.524 -5.914 511 HA CYS 78 HA CYS 78 3.712 0.036 -7.217 512 HB2 CYS 78 1HB CYS 78 4.664 1.958 -6.013 513 HB3 CYS 78 2HB CYS 78 4.256 0.646 -4.913 514 HG CYS 78 HG CYS 78 7.372 1.621 -5.915 515 H SER 79 H SER 79 4.015 0.802 -9.192 516 HA SER 79 HA SER 79 6.715 1.572 -10.035 517 HB2 SER 79 1HB SER 79 6.031 -0.779 -10.850 518 HB3 SER 79 2HB SER 79 4.903 0.064 -11.911 519 HG SER 79 HG SER 79 6.957 1.333 -12.447 520 H ASP 80 H ASP 80 6.733 3.541 -10.883 521 HA ASP 80 HA ASP 80 4.312 4.997 -11.288 522 HB2 ASP 80 1HB ASP 80 5.862 6.816 -12.068 523 HB3 ASP 80 2HB ASP 80 6.220 6.190 -10.461 524 H ASN 81 H ASN 81 3.541 5.930 -13.225 525 HA ASN 81 HA ASN 81 3.884 4.216 -15.528 526 HB2 ASN 81 1HB ASN 81 2.125 6.645 -15.121 527 HB3 ASN 81 2HB ASN 81 2.065 5.568 -16.513 528 HD21 ASN 81 1HD2 ASN 81 1.787 5.595 -12.990 529 HD22 ASN 81 2HD2 ASN 81 0.608 4.334 -12.898 530 H GLY 82 H GLY 82 4.427 7.630 -14.719 531 HA2 GLY 82 1HA GLY 82 6.504 8.623 -15.585 532 HA3 GLY 82 2HA GLY 82 6.169 7.799 -17.100 533 H ASP 83 H ASP 83 3.224 8.557 -16.564 534 HA ASP 83 HA ASP 83 3.404 11.121 -17.943 535 HB2 ASP 83 1HB ASP 83 0.998 9.363 -17.415 536 HB3 ASP 83 2HB ASP 83 1.025 10.795 -18.440 537 H GLY 84 H GLY 84 2.972 9.973 -14.814 538 HA2 GLY 84 1HA GLY 84 2.986 11.847 -13.151 539 HA3 GLY 84 2HA GLY 84 1.589 12.462 -14.022 540 H THR 85 H THR 85 1.700 9.072 -13.803 541 HA THR 85 HA THR 85 -0.098 9.103 -11.469 542 HB THR 85 HB THR 85 -1.283 7.143 -12.637 543 HG1 THR 85 1HG THR 85 0.197 6.864 -14.347 544 HG21 THR 85 1HG2 THR 85 -2.466 9.178 -12.340 545 HG22 THR 85 2HG2 THR 85 -2.661 8.743 -14.038 546 HG23 THR 85 3HG2 THR 85 -1.510 9.996 -13.575 547 H CYS 86 H CYS 86 -0.466 6.737 -10.700 548 HA CYS 86 HA CYS 86 2.005 5.173 -10.922 549 HB2 CYS 86 1HB CYS 86 0.697 6.070 -8.351 550 HB3 CYS 86 2HB CYS 86 1.889 4.779 -8.431 551 HG CYS 86 HG CYS 86 2.327 8.080 -8.464 552 H SER 87 H SER 87 1.743 2.983 -10.824 553 HA SER 87 HA SER 87 -1.004 1.998 -10.413 554 HB2 SER 87 1HB SER 87 -0.665 1.829 -12.748 555 HB3 SER 87 2HB SER 87 0.996 1.271 -12.549 556 HG SER 87 HG SER 87 -1.338 -0.150 -12.543 557 H VAL 88 H VAL 88 -0.697 1.285 -8.331 558 HA VAL 88 HA VAL 88 1.539 -0.469 -7.717 559 HB VAL 88 HB VAL 88 -0.741 0.437 -5.953 560 HG11 VAL 88 1HG1 VAL 88 0.048 -0.881 -4.341 561 HG12 VAL 88 2HG1 VAL 88 1.017 -1.676 -5.583 562 HG13 VAL 88 3HG1 VAL 88 1.708 -0.361 -4.632 563 HG21 VAL 88 1HG2 VAL 88 0.337 2.407 -6.117 564 HG22 VAL 88 2HG2 VAL 88 1.473 1.663 -4.991 565 HG23 VAL 88 3HG2 VAL 88 1.819 1.665 -6.720 566 H SER 89 H SER 89 1.446 -2.594 -7.957 567 HA SER 89 HA SER 89 -1.197 -3.885 -8.075 568 HB2 SER 89 1HB SER 89 0.039 -5.718 -9.304 569 HB3 SER 89 2HB SER 89 -0.047 -4.175 -10.154 570 HG SER 89 HG SER 89 2.071 -5.237 -10.089 571 H TYR 90 H TYR 90 -1.731 -5.327 -6.568 572 HA TYR 90 HA TYR 90 0.409 -6.407 -4.853 573 HB2 TYR 90 1HB TYR 90 -0.998 -6.220 -2.938 574 HB3 TYR 90 2HB TYR 90 -1.066 -4.666 -3.762 575 HD1 TYR 90 1HD TYR 90 -3.101 -3.944 -4.891 576 HD2 TYR 90 2HD TYR 90 -2.934 -7.677 -2.855 577 HE1 TYR 90 1HE TYR 90 -5.555 -4.085 -4.961 578 HE2 TYR 90 2HE TYR 90 -5.388 -7.828 -2.921 579 HH TYR 90 HH TYR 90 -7.371 -5.255 -3.593 580 H LEU 91 H LEU 91 0.158 -8.527 -4.089 581 HA LEU 91 HA LEU 91 -1.917 -10.106 -5.463 582 HB2 LEU 91 1HB LEU 91 1.010 -10.503 -5.242 583 HB3 LEU 91 2HB LEU 91 -0.004 -11.940 -5.129 584 HG LEU 91 HG LEU 91 -0.393 -10.072 -7.423 585 HD11 LEU 91 1HD1 LEU 91 1.947 -10.292 -7.543 586 HD12 LEU 91 2HD1 LEU 91 1.302 -11.494 -8.660 587 HD13 LEU 91 3HD1 LEU 91 1.893 -11.991 -7.074 588 HD21 LEU 91 1HD2 LEU 91 -0.363 -13.010 -7.697 589 HD22 LEU 91 2HD2 LEU 91 -1.473 -11.815 -8.370 590 HD23 LEU 91 3HD2 LEU 91 -1.646 -12.334 -6.692 591 HA PRO 92 HA PRO 92 -2.807 -10.954 -1.126 592 HB2 PRO 92 1HB PRO 92 -5.236 -12.063 -1.616 593 HB3 PRO 92 2HB PRO 92 -4.971 -10.316 -1.562 594 HG2 PRO 92 1HG PRO 92 -5.166 -12.130 -3.935 595 HG3 PRO 92 2HG PRO 92 -5.876 -10.523 -3.694 596 HD2 PRO 92 1HD PRO 92 -3.622 -10.917 -5.142 597 HD3 PRO 92 2HD PRO 92 -3.906 -9.438 -4.202 598 H THR 93 H THR 93 -3.431 -12.954 0.047 599 HA THR 93 HA THR 93 -2.398 -15.338 -1.344 600 HB THR 93 HB THR 93 -1.625 -16.184 0.779 601 HG1 THR 93 1HG THR 93 -1.893 -14.874 2.678 602 HG21 THR 93 1HG2 THR 93 0.247 -14.930 0.821 603 HG22 THR 93 2HG2 THR 93 -0.642 -13.435 1.115 604 HG23 THR 93 3HG2 THR 93 -0.505 -14.073 -0.524 605 H LYS 94 H LYS 94 -4.843 -14.130 0.891 606 HA LYS 94 HA LYS 94 -6.491 -16.472 0.247 607 HB2 LYS 94 1HB LYS 94 -7.235 -16.656 2.563 608 HB3 LYS 94 2HB LYS 94 -5.491 -16.859 2.459 609 HG2 LYS 94 1HG LYS 94 -5.353 -14.372 3.041 610 HG3 LYS 94 2HG LYS 94 -7.047 -14.525 3.512 611 HD2 LYS 94 1HD LYS 94 -4.942 -16.387 4.571 612 HD3 LYS 94 2HD LYS 94 -5.263 -14.827 5.331 613 HE2 LYS 94 1HE LYS 94 -7.555 -16.641 4.761 614 HE3 LYS 94 2HE LYS 94 -6.496 -17.021 6.118 615 HZ1 LYS 94 1HZ LYS 94 -7.747 -15.607 7.266 616 HZ2 LYS 94 2HZ LYS 94 -8.483 -14.975 5.880 617 HZ3 LYS 94 3HZ LYS 94 -6.995 -14.361 6.402 618 HA PRO 95 HA PRO 95 -9.676 -13.539 -0.498 619 HB2 PRO 95 1HB PRO 95 -11.869 -15.047 0.037 620 HB3 PRO 95 2HB PRO 95 -10.878 -15.272 -1.409 621 HG2 PRO 95 1HG PRO 95 -10.858 -16.809 1.160 622 HG3 PRO 95 2HG PRO 95 -10.769 -17.412 -0.505 623 HD2 PRO 95 1HD PRO 95 -8.583 -17.164 1.072 624 HD3 PRO 95 2HD PRO 95 -8.520 -16.945 -0.688 625 H GLY 96 H GLY 96 -9.950 -11.864 0.848 626 HA2 GLY 96 1HA GLY 96 -11.709 -12.087 3.095 627 HA3 GLY 96 2HA GLY 96 -10.039 -11.864 3.595 628 H GLU 97 H GLU 97 -9.450 -9.836 3.936 629 HA GLU 97 HA GLU 97 -10.504 -7.717 2.226 630 HB2 GLU 97 1HB GLU 97 -11.005 -6.296 4.204 631 HB3 GLU 97 2HB GLU 97 -12.054 -7.701 4.071 632 HG2 GLU 97 1HG GLU 97 -9.640 -7.541 5.860 633 HG3 GLU 97 2HG GLU 97 -11.296 -7.226 6.377 634 H TYR 98 H TYR 98 -8.933 -6.382 1.622 635 HA TYR 98 HA TYR 98 -6.493 -6.264 3.271 636 HB2 TYR 98 1HB TYR 98 -6.741 -6.075 0.262 637 HB3 TYR 98 2HB TYR 98 -5.246 -5.864 1.168 638 HD1 TYR 98 1HD TYR 98 -7.930 -8.331 0.437 639 HD2 TYR 98 2HD TYR 98 -3.919 -7.715 1.715 640 HE1 TYR 98 1HE TYR 98 -7.527 -10.755 0.322 641 HE2 TYR 98 2HE TYR 98 -3.505 -10.136 1.602 642 HH TYR 98 HH TYR 98 -4.667 -12.204 1.600 643 H PHE 99 H PHE 99 -6.400 -4.372 4.278 644 HA PHE 99 HA PHE 99 -7.646 -2.014 3.133 645 HB2 PHE 99 1HB PHE 99 -6.219 -2.444 5.765 646 HB3 PHE 99 2HB PHE 99 -7.005 -0.943 5.287 647 HD1 PHE 99 2HD PHE 99 -7.723 -4.571 5.719 648 HD2 PHE 99 1HD PHE 99 -9.202 -0.583 5.878 649 HE1 PHE 99 2HE PHE 99 -9.852 -5.400 6.633 650 HE2 PHE 99 1HE PHE 99 -11.333 -1.405 6.793 651 HZ PHE 99 HZ PHE 99 -11.660 -3.817 7.170 652 H VAL 100 H VAL 100 -6.554 -0.855 1.697 653 HA VAL 100 HA VAL 100 -3.652 -0.868 1.667 654 HB VAL 100 HB VAL 100 -5.528 0.632 -0.162 655 HG11 VAL 100 1HG1 VAL 100 -2.597 0.155 -0.092 656 HG12 VAL 100 2HG1 VAL 100 -3.396 0.188 -1.665 657 HG13 VAL 100 3HG1 VAL 100 -3.500 1.585 -0.592 658 HG21 VAL 100 1HG2 VAL 100 -4.591 -1.476 -1.613 659 HG22 VAL 100 2HG2 VAL 100 -4.814 -2.207 -0.024 660 HG23 VAL 100 3HG2 VAL 100 -6.169 -1.415 -0.828 661 H ASN 101 H ASN 101 -2.715 0.412 3.141 662 HA ASN 101 HA ASN 101 -3.894 2.904 3.974 663 HB2 ASN 101 1HB ASN 101 -1.236 1.616 4.630 664 HB3 ASN 101 2HB ASN 101 -1.822 3.107 5.361 665 HD21 ASN 101 1HD2 ASN 101 -2.489 -0.319 4.965 666 HD22 ASN 101 2HD2 ASN 101 -3.408 -0.497 6.417 667 H ILE 102 H ILE 102 -3.778 4.659 2.747 668 HA ILE 102 HA ILE 102 -1.337 5.111 1.161 669 HB ILE 102 HB ILE 102 -4.068 6.295 0.658 670 HG12 ILE 102 1HG1 ILE 102 -2.682 3.953 -0.662 671 HG13 ILE 102 2HG1 ILE 102 -4.156 3.892 0.297 672 HG21 ILE 102 1HG2 ILE 102 -2.956 7.691 -0.664 673 HG22 ILE 102 2HG2 ILE 102 -1.438 6.844 -0.368 674 HG23 ILE 102 3HG2 ILE 102 -2.509 6.307 -1.661 675 HD11 ILE 102 1HD1 ILE 102 -4.894 5.656 -1.590 676 HD12 ILE 102 2HD1 ILE 102 -3.750 4.673 -2.504 677 HD13 ILE 102 3HD1 ILE 102 -5.134 3.914 -1.719 678 H LEU 103 H LEU 103 -0.038 6.505 2.156 679 HA LEU 103 HA LEU 103 -1.213 8.972 3.238 680 HB2 LEU 103 1HB LEU 103 0.854 8.749 4.883 681 HB3 LEU 103 2HB LEU 103 -0.726 8.059 5.251 682 HG LEU 103 HG LEU 103 0.327 5.929 4.089 683 HD11 LEU 103 1HD1 LEU 103 2.682 7.588 4.919 684 HD12 LEU 103 2HD1 LEU 103 2.417 6.710 3.413 685 HD13 LEU 103 3HD1 LEU 103 2.755 5.825 4.901 686 HD21 LEU 103 1HD2 LEU 103 1.267 6.544 6.862 687 HD22 LEU 103 2HD2 LEU 103 0.626 5.038 6.205 688 HD23 LEU 103 3HD2 LEU 103 -0.456 6.396 6.515 689 H PHE 104 H PHE 104 -0.276 10.778 2.522 690 HA PHE 104 HA PHE 104 2.211 10.514 0.983 691 HB2 PHE 104 1HB PHE 104 0.132 11.444 -0.120 692 HB3 PHE 104 2HB PHE 104 0.282 12.838 0.946 693 HD1 PHE 104 1HD PHE 104 2.248 10.869 -1.528 694 HD2 PHE 104 2HD PHE 104 1.499 14.664 0.247 695 HE1 PHE 104 1HE PHE 104 3.796 11.918 -3.127 696 HE2 PHE 104 2HE PHE 104 3.045 15.719 -1.350 697 HZ PHE 104 HZ PHE 104 4.196 14.347 -3.040 698 H GLU 105 H GLU 105 3.996 11.064 2.034 699 HA GLU 105 HA GLU 105 5.464 12.133 3.403 700 HB2 GLU 105 1HB GLU 105 3.541 14.334 2.721 701 HB3 GLU 105 2HB GLU 105 4.855 14.622 3.852 702 HG2 GLU 105 1HG GLU 105 6.280 13.547 1.900 703 HG3 GLU 105 2HG GLU 105 4.934 14.142 0.930 704 H GLU 106 H GLU 106 3.702 10.495 4.713 705 HA GLU 106 HA GLU 106 3.060 9.973 6.836 706 HB2 GLU 106 1HB GLU 106 4.018 12.691 7.715 707 HB3 GLU 106 2HB GLU 106 3.877 11.228 8.679 708 HG2 GLU 106 1HG GLU 106 5.686 10.208 7.386 709 HG3 GLU 106 2HG GLU 106 5.835 11.688 6.440 710 H VAL 107 H VAL 107 1.298 11.295 4.962 711 HA VAL 107 HA VAL 107 -0.641 12.378 6.888 712 HB VAL 107 HB VAL 107 -0.395 13.479 4.096 713 HG11 VAL 107 1HG1 VAL 107 -2.414 14.243 4.712 714 HG12 VAL 107 2HG1 VAL 107 -2.118 13.939 6.425 715 HG13 VAL 107 3HG1 VAL 107 -1.496 15.406 5.668 716 HG21 VAL 107 1HG2 VAL 107 0.866 15.321 4.908 717 HG22 VAL 107 2HG2 VAL 107 0.699 14.785 6.580 718 HG23 VAL 107 3HG2 VAL 107 1.691 13.861 5.453 719 H HIS 108 H HIS 108 -2.254 10.963 6.945 720 HA HIS 108 HA HIS 108 -2.813 9.084 4.915 721 HB2 HIS 108 1HB HIS 108 -4.090 9.918 7.464 722 HB3 HIS 108 2HB HIS 108 -5.105 9.057 6.310 723 HD1 HIS 108 1HD HIS 108 -4.990 6.586 6.429 724 HD2 HIS 108 2HD HIS 108 -1.633 8.377 8.096 725 HE1 HIS 108 1HE HIS 108 -3.637 4.703 7.401 726 HE2 HIS 108 2HE HIS 108 -1.653 5.819 8.479 727 H ILE 109 H ILE 109 -3.750 9.412 3.020 728 HA ILE 109 HA ILE 109 -4.980 11.849 2.290 729 HB ILE 109 HB ILE 109 -5.516 10.796 0.183 730 HG12 ILE 109 1HG1 ILE 109 -4.522 8.157 1.224 731 HG13 ILE 109 2HG1 ILE 109 -6.217 8.606 1.386 732 HG21 ILE 109 1HG2 ILE 109 -2.834 10.153 1.356 733 HG22 ILE 109 2HG2 ILE 109 -3.215 9.773 -0.322 734 HG23 ILE 109 3HG2 ILE 109 -3.277 11.444 0.239 735 HD11 ILE 109 1HD1 ILE 109 -4.744 8.543 -1.233 736 HD12 ILE 109 2HD1 ILE 109 -5.696 7.201 -0.596 737 HD13 ILE 109 3HD1 ILE 109 -6.478 8.735 -0.977 738 HA PRO 110 HA PRO 110 -9.162 11.322 3.526 739 HB2 PRO 110 1HB PRO 110 -10.438 12.712 1.575 740 HB3 PRO 110 2HB PRO 110 -9.499 13.492 2.853 741 HG2 PRO 110 1HG PRO 110 -8.713 12.877 0.031 742 HG3 PRO 110 2HG PRO 110 -8.421 14.348 0.978 743 HD2 PRO 110 1HD PRO 110 -6.522 12.455 0.604 744 HD3 PRO 110 2HD PRO 110 -6.621 13.428 2.085 745 H GLY 111 H GLY 111 -9.135 8.993 3.084 746 HA2 GLY 111 1HA GLY 111 -11.242 7.940 1.837 747 HA3 GLY 111 2HA GLY 111 -10.136 8.139 0.486 748 H SER 112 H SER 112 -7.985 7.640 2.725 749 HA SER 112 HA SER 112 -8.026 4.726 2.368 750 HB2 SER 112 1HB SER 112 -5.728 4.751 2.296 751 HB3 SER 112 2HB SER 112 -6.048 6.378 1.695 752 HG SER 112 HG SER 112 -5.366 5.625 4.344 753 HA PRO 113 HA PRO 113 -6.424 3.172 3.249 754 HB2 PRO 113 1HB PRO 113 -7.314 0.841 4.319 755 HB3 PRO 113 2HB PRO 113 -5.896 1.700 4.933 756 HG2 PRO 113 1HG PRO 113 -8.702 1.685 5.977 757 HG3 PRO 113 2HG PRO 113 -7.175 1.588 6.872 758 HD2 PRO 113 1HD PRO 113 -8.592 3.885 6.653 759 HD3 PRO 113 2HD PRO 113 -6.820 3.863 6.761 760 H PHE 114 H PHE 114 -7.330 1.385 1.860 761 HA PHE 114 HA PHE 114 -10.177 1.894 1.294 762 HB2 PHE 114 1HB PHE 114 -7.867 1.390 -0.577 763 HB3 PHE 114 2HB PHE 114 -9.542 1.214 -1.088 764 HD1 PHE 114 1HD PHE 114 -7.160 3.648 0.388 765 HD2 PHE 114 2HD PHE 114 -10.747 3.057 -1.825 766 HE1 PHE 114 1HE PHE 114 -7.265 6.062 -0.079 767 HE2 PHE 114 2HE PHE 114 -10.857 5.469 -2.297 768 HZ PHE 114 HZ PHE 114 -9.114 6.975 -1.425 769 H LYS 115 H LYS 115 -11.158 0.204 2.277 770 HA LYS 115 HA LYS 115 -10.154 -2.407 2.477 771 HB2 LYS 115 1HB LYS 115 -12.063 -1.330 3.792 772 HB3 LYS 115 2HB LYS 115 -13.087 -1.711 2.414 773 HG2 LYS 115 1HG LYS 115 -12.068 -4.123 2.783 774 HG3 LYS 115 2HG LYS 115 -11.859 -3.511 4.426 775 HD2 LYS 115 1HD LYS 115 -14.464 -3.436 2.908 776 HD3 LYS 115 2HD LYS 115 -14.015 -4.711 4.043 777 HE2 LYS 115 1HE LYS 115 -14.092 -3.274 5.874 778 HE3 LYS 115 2HE LYS 115 -13.956 -1.832 4.870 779 HZ1 LYS 115 1HZ LYS 115 -16.162 -1.777 5.347 780 HZ2 LYS 115 2HZ LYS 115 -16.310 -3.457 5.480 781 HZ3 LYS 115 3HZ LYS 115 -16.231 -2.734 3.953 782 H ALA 116 H ALA 116 -9.808 -3.843 0.928 783 HA ALA 116 HA ALA 116 -11.479 -3.738 -1.496 784 HB1 ALA 116 1HB ALA 116 -9.529 -3.589 -2.560 785 HB2 ALA 116 2HB ALA 116 -8.618 -3.993 -1.104 786 HB3 ALA 116 3HB ALA 116 -9.270 -5.278 -2.122 787 H ASP 117 H ASP 117 -13.053 -5.208 -1.310 788 HA ASP 117 HA ASP 117 -12.767 -7.626 0.188 789 HB2 ASP 117 1HB ASP 117 -14.909 -6.396 -1.493 790 HB3 ASP 117 2HB ASP 117 -15.017 -8.113 -1.113 791 H ILE 118 H ILE 118 -11.596 -9.287 -0.495 792 HA ILE 118 HA ILE 118 -11.268 -9.760 -3.358 793 HB ILE 118 HB ILE 118 -9.898 -11.017 -0.978 794 HG12 ILE 118 1HG1 ILE 118 -9.353 -8.617 -1.552 795 HG13 ILE 118 2HG1 ILE 118 -7.985 -9.724 -1.593 796 HG21 ILE 118 1HG2 ILE 118 -9.589 -12.723 -2.417 797 HG22 ILE 118 2HG2 ILE 118 -9.945 -11.734 -3.832 798 HG23 ILE 118 3HG2 ILE 118 -8.348 -11.666 -3.088 799 HD11 ILE 118 1HD1 ILE 118 -8.874 -7.982 -3.608 800 HD12 ILE 118 2HD1 ILE 118 -7.555 -9.151 -3.680 801 HD13 ILE 118 3HD1 ILE 118 -9.179 -9.622 -4.179 802 H GLU 119 H GLU 119 -11.825 -11.668 -4.381 803 HA GLU 119 HA GLU 119 -13.532 -13.505 -2.834 804 HB2 GLU 119 1HB GLU 119 -13.933 -12.871 -5.752 805 HB3 GLU 119 2HB GLU 119 -15.030 -13.714 -4.667 806 HG2 GLU 119 1HG GLU 119 -15.725 -11.772 -3.640 807 HG3 GLU 119 2HG GLU 119 -14.273 -10.885 -4.102 808 H MET 120 H MET 120 -13.709 -15.690 -3.770 809 HA MET 120 HA MET 120 -11.093 -16.641 -4.545 810 HB2 MET 120 1HB MET 120 -13.683 -18.078 -3.956 811 HB3 MET 120 2HB MET 120 -12.185 -18.898 -4.376 812 HG2 MET 120 1HG MET 120 -11.107 -18.028 -2.403 813 HG3 MET 120 2HG MET 120 -12.539 -17.082 -2.004 814 HE1 MET 120 1HE MET 120 -11.244 -21.147 -1.672 815 HE2 MET 120 2HE MET 120 -10.489 -19.606 -1.267 816 HE3 MET 120 3HE MET 120 -11.366 -20.511 -0.032 817 HA PRO 121 HA PRO 121 -12.033 -16.544 -8.887 818 HB2 PRO 121 1HB PRO 121 -9.765 -17.787 -9.711 819 HB3 PRO 121 2HB PRO 121 -9.801 -16.096 -9.196 820 HG2 PRO 121 1HG PRO 121 -8.966 -18.526 -7.661 821 HG3 PRO 121 2HG PRO 121 -8.196 -16.930 -7.735 822 HD2 PRO 121 1HD PRO 121 -9.771 -17.693 -5.668 823 HD3 PRO 121 2HD PRO 121 -9.671 -16.009 -6.221 824 H PHE 122 H PHE 122 -12.378 -18.060 -10.629 825 HA PHE 122 HA PHE 122 -13.854 -20.278 -10.007 826 HB2 PHE 122 1HB PHE 122 -13.590 -20.984 -12.324 827 HB3 PHE 122 2HB PHE 122 -13.776 -19.235 -12.246 828 HD1 PHE 122 2HD PHE 122 -11.340 -21.965 -12.720 829 HD2 PHE 122 1HD PHE 122 -12.090 -17.787 -13.038 830 HE1 PHE 122 2HE PHE 122 -9.260 -21.693 -14.004 831 HE2 PHE 122 1HE PHE 122 -10.011 -17.508 -14.324 832 HZ PHE 122 HZ PHE 122 -8.592 -19.462 -14.808 833 H ASP 123 H ASP 123 -13.497 -22.498 -9.913 834 HA ASP 123 HA ASP 123 -10.809 -23.241 -9.066 835 HB2 ASP 123 1HB ASP 123 -13.527 -24.474 -8.772 836 HB3 ASP 123 2HB ASP 123 -12.087 -25.465 -8.553 837 HA PRO 124 HA PRO 124 -9.787 -25.230 -12.859 838 HB2 PRO 124 1HB PRO 124 -7.861 -26.909 -11.941 839 HB3 PRO 124 2HB PRO 124 -7.611 -25.169 -12.126 840 HG2 PRO 124 1HG PRO 124 -8.259 -26.738 -9.661 841 HG3 PRO 124 2HG PRO 124 -7.097 -25.416 -9.871 842 HD2 PRO 124 1HD PRO 124 -9.544 -25.044 -8.772 843 HD3 PRO 124 2HD PRO 124 -8.728 -23.793 -9.731 844 H SER 125 H SER 125 -11.244 -26.586 -13.718 845 HA SER 125 HA SER 125 -11.496 -29.266 -12.528 846 HB2 SER 125 1HB SER 125 -13.760 -27.653 -13.729 847 HB3 SER 125 2HB SER 125 -13.882 -29.289 -13.082 848 HG SER 125 HG SER 125 -13.275 -26.912 -11.660 849 H SER 126 H SER 126 -12.256 -27.368 -15.449 850 HA SER 126 HA SER 126 -12.109 -29.690 -17.138 851 HB2 SER 126 1HB SER 126 -13.557 -27.581 -17.490 852 HB3 SER 126 2HB SER 126 -12.084 -26.842 -18.117 853 HG SER 126 HG SER 126 -12.786 -27.733 -19.907 854 H GLY 127 H GLY 127 -10.470 -30.336 -18.452 855 HA2 GLY 127 1HA GLY 127 -8.361 -28.980 -19.489 856 HA3 GLY 127 2HA GLY 127 -7.837 -29.324 -17.847 857 HA PRO 128 HA PRO 128 -7.480 -33.053 -20.889 858 HB2 PRO 128 1HB PRO 128 -5.061 -32.600 -22.033 859 HB3 PRO 128 2HB PRO 128 -6.581 -32.057 -22.754 860 HG2 PRO 128 1HG PRO 128 -4.594 -30.513 -21.131 861 HG3 PRO 128 2HG PRO 128 -5.455 -30.028 -22.604 862 HD2 PRO 128 1HD PRO 128 -6.225 -29.225 -20.136 863 HD3 PRO 128 2HD PRO 128 -7.381 -29.498 -21.455 864 H SER 129 H SER 129 -4.908 -31.324 -19.156 865 HA SER 129 HA SER 129 -3.129 -33.296 -18.595 866 HB2 SER 129 1HB SER 129 -4.139 -31.249 -16.605 867 HB3 SER 129 2HB SER 129 -2.609 -32.121 -16.503 868 HG SER 129 HG SER 129 -3.377 -30.340 -18.578 869 H SER 130 H SER 130 -2.970 -35.054 -17.296 870 HA SER 130 HA SER 130 -5.348 -36.337 -16.453 871 HB2 SER 130 1HB SER 130 -3.353 -37.587 -17.170 872 HB3 SER 130 2HB SER 130 -2.473 -36.993 -15.762 873 HG SER 130 HG SER 130 -3.450 -39.141 -15.569 874 H GLY 131 H GLY 131 -2.641 -34.940 -14.599 875 HA2 GLY 131 1HA GLY 131 -3.788 -33.531 -12.690 876 HA3 GLY 131 2HA GLY 131 -4.229 -35.145 -12.151 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -45.025 -10.393 -2.681 2 HA2 GLY 1 1HA GLY 1 -45.020 -7.441 -2.545 3 HA3 GLY 1 2HA GLY 1 -44.066 -8.474 -1.490 4 H SER 2 H SER 2 -42.901 -6.411 -2.904 5 HA SER 2 HA SER 2 -40.912 -7.854 -4.397 6 HB2 SER 2 1HB SER 2 -42.809 -5.967 -5.779 7 HB3 SER 2 2HB SER 2 -41.180 -6.243 -6.397 8 HG SER 2 HG SER 2 -42.201 -7.829 -7.378 9 H SER 3 H SER 3 -39.220 -6.261 -5.270 10 HA SER 3 HA SER 3 -39.042 -3.646 -4.240 11 HB2 SER 3 1HB SER 3 -37.250 -4.065 -2.531 12 HB3 SER 3 2HB SER 3 -38.844 -4.656 -2.061 13 HG SER 3 HG SER 3 -36.761 -6.057 -1.943 14 H GLY 4 H GLY 4 -36.637 -2.890 -4.276 15 HA2 GLY 4 1HA GLY 4 -34.972 -4.408 -6.114 16 HA3 GLY 4 2HA GLY 4 -35.604 -2.892 -6.740 17 H SER 5 H SER 5 -32.853 -3.509 -6.414 18 HA SER 5 HA SER 5 -32.106 -1.295 -4.672 19 HB2 SER 5 1HB SER 5 -30.893 -4.058 -4.422 20 HB3 SER 5 2HB SER 5 -30.283 -2.609 -3.622 21 HG SER 5 HG SER 5 -31.788 -4.053 -2.413 22 H SER 6 H SER 6 -30.503 -0.087 -5.504 23 HA SER 6 HA SER 6 -28.627 -1.198 -7.413 24 HB2 SER 6 1HB SER 6 -29.194 0.187 -9.254 25 HB3 SER 6 2HB SER 6 -30.722 -0.498 -8.700 26 HG SER 6 HG SER 6 -30.417 1.943 -9.104 27 H GLY 7 H GLY 7 -27.201 0.724 -8.280 28 HA2 GLY 7 1HA GLY 7 -26.757 2.621 -6.062 29 HA3 GLY 7 2HA GLY 7 -25.426 1.708 -6.756 30 H ASP 8 H ASP 8 -24.697 4.056 -6.945 31 HA ASP 8 HA ASP 8 -24.998 4.829 -9.699 32 HB2 ASP 8 1HB ASP 8 -25.840 7.054 -9.342 33 HB3 ASP 8 2HB ASP 8 -26.958 5.920 -8.587 34 H VAL 9 H VAL 9 -23.798 7.133 -9.910 35 HA VAL 9 HA VAL 9 -21.365 6.995 -8.255 36 HB VAL 9 HB VAL 9 -20.822 6.019 -10.402 37 HG11 VAL 9 1HG1 VAL 9 -21.830 6.663 -12.271 38 HG12 VAL 9 2HG1 VAL 9 -22.621 7.974 -11.394 39 HG13 VAL 9 3HG1 VAL 9 -21.053 8.242 -12.157 40 HG21 VAL 9 1HG2 VAL 9 -19.653 8.742 -10.668 41 HG22 VAL 9 2HG2 VAL 9 -19.351 7.841 -9.182 42 HG23 VAL 9 3HG2 VAL 9 -18.869 7.164 -10.737 43 H THR 10 H THR 10 -20.310 8.949 -7.847 44 HA THR 10 HA THR 10 -22.030 11.289 -8.052 45 HB THR 10 HB THR 10 -19.349 11.285 -6.700 46 HG1 THR 10 1HG THR 10 -20.829 9.439 -6.074 47 HG21 THR 10 1HG2 THR 10 -20.057 13.187 -5.722 48 HG22 THR 10 2HG2 THR 10 -21.690 12.569 -5.475 49 HG23 THR 10 3HG2 THR 10 -21.224 13.229 -7.042 50 H TYR 11 H TYR 11 -21.705 12.940 -9.406 51 HA TYR 11 HA TYR 11 -19.559 12.779 -11.328 52 HB2 TYR 11 1HB TYR 11 -21.888 14.663 -10.977 53 HB3 TYR 11 2HB TYR 11 -20.667 14.894 -12.224 54 HD1 TYR 11 1HD TYR 11 -23.474 12.821 -11.106 55 HD2 TYR 11 2HD TYR 11 -20.540 13.399 -14.133 56 HE1 TYR 11 1HE TYR 11 -24.703 11.286 -12.582 57 HE2 TYR 11 2HE TYR 11 -21.762 11.866 -15.618 58 HH TYR 11 HH TYR 11 -24.922 10.864 -15.029 59 H ASP 12 H ASP 12 -17.647 13.719 -11.128 60 HA ASP 12 HA ASP 12 -17.409 16.079 -9.378 61 HB2 ASP 12 1HB ASP 12 -15.181 14.095 -9.784 62 HB3 ASP 12 2HB ASP 12 -15.348 15.314 -8.524 63 H GLY 13 H GLY 13 -17.242 17.735 -10.773 64 HA2 GLY 13 1HA GLY 13 -15.545 17.423 -13.149 65 HA3 GLY 13 2HA GLY 13 -16.726 18.698 -12.890 66 H HIS 14 H HIS 14 -13.500 18.039 -13.008 67 HA HIS 14 HA HIS 14 -12.253 19.336 -10.955 68 HB2 HIS 14 1HB HIS 14 -10.444 19.869 -12.521 69 HB3 HIS 14 2HB HIS 14 -11.050 18.237 -12.791 70 HD1 HIS 14 1HD HIS 14 -12.485 17.862 -14.963 71 HD2 HIS 14 2HD HIS 14 -10.692 21.598 -14.662 72 HE1 HIS 14 1HE HIS 14 -12.620 18.861 -17.267 73 HE2 HIS 14 2HE HIS 14 -11.453 21.085 -17.080 74 HA PRO 15 HA PRO 15 -13.651 23.514 -11.035 75 HB2 PRO 15 1HB PRO 15 -11.628 24.643 -9.620 76 HB3 PRO 15 2HB PRO 15 -12.884 23.647 -8.874 77 HG2 PRO 15 1HG PRO 15 -10.099 22.897 -9.677 78 HG3 PRO 15 2HG PRO 15 -10.988 22.482 -8.200 79 HD2 PRO 15 1HD PRO 15 -10.716 20.758 -10.270 80 HD3 PRO 15 2HD PRO 15 -12.154 20.781 -9.230 81 H VAL 16 H VAL 16 -12.249 25.787 -11.143 82 HA VAL 16 HA VAL 16 -11.597 26.098 -13.836 83 HB VAL 16 HB VAL 16 -10.547 28.274 -13.121 84 HG11 VAL 16 1HG1 VAL 16 -13.063 27.749 -13.547 85 HG12 VAL 16 2HG1 VAL 16 -13.218 28.012 -11.809 86 HG13 VAL 16 3HG1 VAL 16 -12.596 29.298 -12.844 87 HG21 VAL 16 1HG2 VAL 16 -10.513 26.949 -10.608 88 HG22 VAL 16 2HG2 VAL 16 -9.895 28.549 -11.016 89 HG23 VAL 16 3HG2 VAL 16 -11.562 28.360 -10.474 90 HA PRO 17 HA PRO 17 -7.469 24.604 -14.171 91 HB2 PRO 17 1HB PRO 17 -6.671 26.024 -16.342 92 HB3 PRO 17 2HB PRO 17 -7.793 24.662 -16.445 93 HG2 PRO 17 1HG PRO 17 -8.376 27.598 -16.419 94 HG3 PRO 17 2HG PRO 17 -9.084 26.326 -17.430 95 HD2 PRO 17 1HD PRO 17 -10.342 27.321 -15.249 96 HD3 PRO 17 2HD PRO 17 -10.527 25.635 -15.771 97 H GLY 18 H GLY 18 -8.127 28.042 -13.965 98 HA2 GLY 18 1HA GLY 18 -6.982 29.542 -12.565 99 HA3 GLY 18 2HA GLY 18 -5.654 28.396 -12.459 100 H SER 19 H SER 19 -4.358 30.367 -12.789 101 HA SER 19 HA SER 19 -4.363 31.381 -15.531 102 HB2 SER 19 1HB SER 19 -2.643 32.999 -14.605 103 HB3 SER 19 2HB SER 19 -4.253 33.119 -13.894 104 HG SER 19 HG SER 19 -2.234 33.001 -12.484 105 HA PRO 20 HA PRO 20 -0.975 28.853 -16.761 106 HB2 PRO 20 1HB PRO 20 -0.053 30.359 -18.823 107 HB3 PRO 20 2HB PRO 20 -1.541 29.410 -18.917 108 HG2 PRO 20 1HG PRO 20 -1.191 32.336 -18.391 109 HG3 PRO 20 2HG PRO 20 -2.373 31.520 -19.431 110 HD2 PRO 20 1HD PRO 20 -2.989 32.417 -16.952 111 HD3 PRO 20 2HD PRO 20 -3.743 30.974 -17.659 112 H TYR 21 H TYR 21 -0.580 32.143 -15.755 113 HA TYR 21 HA TYR 21 2.307 32.077 -15.814 114 HB2 TYR 21 1HB TYR 21 0.643 34.129 -16.016 115 HB3 TYR 21 2HB TYR 21 0.798 34.134 -14.263 116 HD1 TYR 21 2HD TYR 21 3.179 33.642 -17.110 117 HD2 TYR 21 1HD TYR 21 2.263 35.750 -13.529 118 HE1 TYR 21 2HE TYR 21 5.293 34.884 -17.307 119 HE2 TYR 21 1HE TYR 21 4.374 36.998 -13.716 120 HH TYR 21 HH TYR 21 6.879 36.121 -15.458 121 H THR 22 H THR 22 1.190 29.965 -14.320 122 HA THR 22 HA THR 22 1.750 30.708 -11.534 123 HB THR 22 HB THR 22 -0.386 29.576 -11.865 124 HG1 THR 22 1HG THR 22 0.816 29.124 -9.943 125 HG21 THR 22 1HG2 THR 22 -0.481 28.104 -13.558 126 HG22 THR 22 2HG2 THR 22 0.180 26.943 -12.406 127 HG23 THR 22 3HG2 THR 22 1.256 27.802 -13.508 128 H VAL 23 H VAL 23 3.046 29.243 -10.231 129 HA VAL 23 HA VAL 23 5.302 28.195 -11.770 130 HB VAL 23 HB VAL 23 5.033 28.723 -8.807 131 HG11 VAL 23 1HG1 VAL 23 6.591 26.975 -9.000 132 HG12 VAL 23 2HG1 VAL 23 7.306 27.661 -10.461 133 HG13 VAL 23 3HG1 VAL 23 7.563 28.443 -8.900 134 HG21 VAL 23 1HG2 VAL 23 5.096 30.796 -9.961 135 HG22 VAL 23 2HG2 VAL 23 6.721 30.521 -9.334 136 HG23 VAL 23 3HG2 VAL 23 6.374 30.235 -11.039 137 H GLU 24 H GLU 24 5.730 26.086 -11.955 138 HA GLU 24 HA GLU 24 4.056 24.211 -10.430 139 HB2 GLU 24 1HB GLU 24 3.620 23.711 -12.636 140 HB3 GLU 24 2HB GLU 24 5.235 24.158 -13.168 141 HG2 GLU 24 1HG GLU 24 6.153 22.120 -12.346 142 HG3 GLU 24 2HG GLU 24 4.640 21.698 -11.546 143 H ALA 25 H ALA 25 7.101 25.478 -10.450 144 HA ALA 25 HA ALA 25 8.446 23.010 -9.642 145 HB1 ALA 25 1HB ALA 25 10.320 24.983 -9.406 146 HB2 ALA 25 2HB ALA 25 10.053 23.999 -10.846 147 HB3 ALA 25 3HB ALA 25 9.304 25.591 -10.714 148 H SER 26 H SER 26 9.128 22.597 -7.598 149 HA SER 26 HA SER 26 9.281 22.727 -5.332 150 HB2 SER 26 1HB SER 26 9.599 25.580 -6.158 151 HB3 SER 26 2HB SER 26 9.353 25.227 -4.447 152 HG SER 26 HG SER 26 11.246 23.714 -5.830 153 H LEU 27 H LEU 27 6.830 22.122 -6.150 154 HA LEU 27 HA LEU 27 4.925 23.923 -4.864 155 HB2 LEU 27 1HB LEU 27 4.611 21.478 -6.584 156 HB3 LEU 27 2HB LEU 27 3.252 22.237 -5.758 157 HG LEU 27 HG LEU 27 4.999 23.689 -7.736 158 HD11 LEU 27 1HD1 LEU 27 2.796 23.349 -9.137 159 HD12 LEU 27 2HD1 LEU 27 2.663 21.895 -8.149 160 HD13 LEU 27 3HD1 LEU 27 4.088 22.149 -9.156 161 HD21 LEU 27 1HD2 LEU 27 3.483 24.846 -5.957 162 HD22 LEU 27 2HD2 LEU 27 2.174 24.358 -7.035 163 HD23 LEU 27 3HD2 LEU 27 3.464 25.404 -7.630 164 HA PRO 28 HA PRO 28 4.763 21.590 -1.134 165 HB2 PRO 28 1HB PRO 28 2.300 22.340 -0.273 166 HB3 PRO 28 2HB PRO 28 3.704 23.412 -0.219 167 HG2 PRO 28 1HG PRO 28 1.486 23.295 -2.226 168 HG3 PRO 28 2HG PRO 28 2.248 24.713 -1.483 169 HD2 PRO 28 1HD PRO 28 2.875 23.860 -3.976 170 HD3 PRO 28 2HD PRO 28 4.058 24.643 -2.909 171 HA PRO 29 HA PRO 29 2.663 17.835 -2.142 172 HB2 PRO 29 1HB PRO 29 2.745 16.663 0.306 173 HB3 PRO 29 2HB PRO 29 4.163 16.802 -0.741 174 HG2 PRO 29 1HG PRO 29 3.354 18.499 1.590 175 HG3 PRO 29 2HG PRO 29 4.958 17.873 1.164 176 HD2 PRO 29 1HD PRO 29 4.202 20.420 0.641 177 HD3 PRO 29 2HD PRO 29 5.325 19.525 -0.401 178 H ASP 30 H ASP 30 0.541 18.141 -2.584 179 HA ASP 30 HA ASP 30 -1.285 18.723 -0.357 180 HB2 ASP 30 1HB ASP 30 -1.390 19.209 -3.303 181 HB3 ASP 30 2HB ASP 30 -2.907 18.996 -2.432 182 HA PRO 31 HA PRO 31 -2.046 14.261 -0.857 183 HB2 PRO 31 1HB PRO 31 -2.994 13.934 1.666 184 HB3 PRO 31 2HB PRO 31 -1.269 13.949 1.282 185 HG2 PRO 31 1HG PRO 31 -2.987 16.147 2.368 186 HG3 PRO 31 2HG PRO 31 -1.351 15.664 2.851 187 HD2 PRO 31 1HD PRO 31 -1.826 17.781 1.231 188 HD3 PRO 31 2HD PRO 31 -0.366 16.782 1.091 189 H SER 32 H SER 32 -4.178 16.671 0.647 190 HA SER 32 HA SER 32 -6.581 15.341 0.594 191 HB2 SER 32 1HB SER 32 -5.992 18.260 0.079 192 HB3 SER 32 2HB SER 32 -7.624 17.624 0.284 193 HG SER 32 HG SER 32 -5.579 17.934 2.154 194 H LYS 33 H LYS 33 -4.720 16.496 -2.068 195 HA LYS 33 HA LYS 33 -6.904 16.415 -3.960 196 HB2 LYS 33 1HB LYS 33 -3.923 16.733 -4.351 197 HB3 LYS 33 2HB LYS 33 -5.113 16.836 -5.642 198 HG2 LYS 33 1HG LYS 33 -5.227 18.620 -3.233 199 HG3 LYS 33 2HG LYS 33 -4.259 19.018 -4.655 200 HD2 LYS 33 1HD LYS 33 -7.193 18.362 -4.809 201 HD3 LYS 33 2HD LYS 33 -6.591 20.005 -4.573 202 HE2 LYS 33 1HE LYS 33 -5.131 19.451 -6.670 203 HE3 LYS 33 2HE LYS 33 -6.354 18.214 -6.952 204 HZ1 LYS 33 1HZ LYS 33 -6.728 20.447 -8.035 205 HZ2 LYS 33 2HZ LYS 33 -7.062 21.050 -6.490 206 HZ3 LYS 33 3HZ LYS 33 -8.026 19.824 -7.146 207 H VAL 34 H VAL 34 -4.145 14.404 -3.069 208 HA VAL 34 HA VAL 34 -3.995 12.558 -5.039 209 HB VAL 34 HB VAL 34 -4.021 11.951 -2.080 210 HG11 VAL 34 1HG1 VAL 34 -2.912 9.908 -2.567 211 HG12 VAL 34 2HG1 VAL 34 -4.335 9.975 -3.608 212 HG13 VAL 34 3HG1 VAL 34 -2.739 10.331 -4.270 213 HG21 VAL 34 1HG2 VAL 34 -1.730 12.542 -3.953 214 HG22 VAL 34 2HG2 VAL 34 -2.370 13.639 -2.729 215 HG23 VAL 34 3HG2 VAL 34 -1.593 12.133 -2.243 216 H LYS 35 H LYS 35 -5.514 11.514 -6.131 217 HA LYS 35 HA LYS 35 -7.863 10.505 -4.663 218 HB2 LYS 35 1HB LYS 35 -7.584 11.808 -7.321 219 HB3 LYS 35 2HB LYS 35 -8.771 10.519 -7.180 220 HG2 LYS 35 1HG LYS 35 -8.796 12.624 -5.097 221 HG3 LYS 35 2HG LYS 35 -9.360 13.062 -6.711 222 HD2 LYS 35 1HD LYS 35 -11.326 12.312 -5.837 223 HD3 LYS 35 2HD LYS 35 -10.695 10.780 -6.445 224 HE2 LYS 35 1HE LYS 35 -9.790 10.284 -4.220 225 HE3 LYS 35 2HE LYS 35 -10.438 11.809 -3.619 226 HZ1 LYS 35 1HZ LYS 35 -11.754 9.587 -3.335 227 HZ2 LYS 35 2HZ LYS 35 -12.272 9.921 -4.910 228 HZ3 LYS 35 3HZ LYS 35 -12.568 11.032 -3.670 229 H ALA 36 H ALA 36 -8.069 8.371 -4.571 230 HA ALA 36 HA ALA 36 -6.533 6.733 -6.476 231 HB1 ALA 36 1HB ALA 36 -6.336 6.700 -3.784 232 HB2 ALA 36 2HB ALA 36 -7.555 5.450 -4.033 233 HB3 ALA 36 3HB ALA 36 -5.981 5.315 -4.816 234 H HIS 37 H HIS 37 -7.729 5.855 -8.023 235 HA HIS 37 HA HIS 37 -10.338 4.715 -7.320 236 HB2 HIS 37 1HB HIS 37 -11.117 5.539 -9.638 237 HB3 HIS 37 2HB HIS 37 -11.058 6.707 -8.322 238 HD1 HIS 37 1HD HIS 37 -9.691 5.997 -11.663 239 HD2 HIS 37 2HD HIS 37 -8.852 8.545 -8.490 240 HE1 HIS 37 1HE HIS 37 -8.153 7.753 -12.599 241 HE2 HIS 37 2HE HIS 37 -7.592 9.234 -10.640 242 H GLY 38 H GLY 38 -10.554 2.685 -8.010 243 HA2 GLY 38 1HA GLY 38 -9.874 1.654 -10.483 244 HA3 GLY 38 2HA GLY 38 -8.462 1.411 -9.467 245 HA PRO 39 HA PRO 39 -11.606 -2.073 -8.960 246 HB2 PRO 39 1HB PRO 39 -10.063 -4.055 -9.988 247 HB3 PRO 39 2HB PRO 39 -11.157 -3.079 -10.976 248 HG2 PRO 39 1HG PRO 39 -8.199 -2.812 -10.599 249 HG3 PRO 39 2HG PRO 39 -9.153 -2.693 -12.089 250 HD2 PRO 39 1HD PRO 39 -8.265 -0.514 -10.749 251 HD3 PRO 39 2HD PRO 39 -9.791 -0.521 -11.655 252 H GLY 40 H GLY 40 -8.060 -2.149 -8.627 253 HA2 GLY 40 1HA GLY 40 -7.825 -4.119 -6.697 254 HA3 GLY 40 2HA GLY 40 -6.727 -2.756 -6.858 255 H LEU 41 H LEU 41 -9.239 -1.018 -6.374 256 HA LEU 41 HA LEU 41 -8.854 -0.863 -3.509 257 HB2 LEU 41 1HB LEU 41 -10.648 0.810 -5.257 258 HB3 LEU 41 2HB LEU 41 -10.105 1.185 -3.623 259 HG LEU 41 HG LEU 41 -8.328 1.049 -6.059 260 HD11 LEU 41 1HD1 LEU 41 -9.148 3.067 -6.517 261 HD12 LEU 41 2HD1 LEU 41 -8.313 3.624 -5.067 262 HD13 LEU 41 3HD1 LEU 41 -10.010 3.154 -4.981 263 HD21 LEU 41 1HD2 LEU 41 -7.811 1.789 -3.186 264 HD22 LEU 41 2HD2 LEU 41 -6.714 2.183 -4.509 265 HD23 LEU 41 3HD2 LEU 41 -7.060 0.497 -4.122 266 H GLU 42 H GLU 42 -11.493 -1.538 -5.770 267 HA GLU 42 HA GLU 42 -13.464 -1.880 -3.734 268 HB2 GLU 42 1HB GLU 42 -14.952 -2.330 -5.442 269 HB3 GLU 42 2HB GLU 42 -13.744 -1.369 -6.284 270 HG2 GLU 42 1HG GLU 42 -12.686 -3.463 -7.066 271 HG3 GLU 42 2HG GLU 42 -13.996 -4.367 -6.309 272 H GLY 43 H GLY 43 -11.173 -3.971 -5.341 273 HA2 GLY 43 1HA GLY 43 -10.856 -5.906 -3.535 274 HA3 GLY 43 2HA GLY 43 -12.392 -6.378 -4.248 275 H GLY 44 H GLY 44 -11.166 -8.350 -4.792 276 HA2 GLY 44 1HA GLY 44 -10.413 -8.339 -7.521 277 HA3 GLY 44 2HA GLY 44 -8.976 -8.426 -6.512 278 H LEU 45 H LEU 45 -8.354 -10.486 -6.992 279 HA LEU 45 HA LEU 45 -10.100 -12.608 -5.965 280 HB2 LEU 45 1HB LEU 45 -8.699 -12.570 -8.627 281 HB3 LEU 45 2HB LEU 45 -9.288 -14.050 -7.873 282 HG LEU 45 HG LEU 45 -11.104 -11.734 -8.496 283 HD11 LEU 45 1HD1 LEU 45 -10.315 -14.041 -10.263 284 HD12 LEU 45 2HD1 LEU 45 -10.143 -12.318 -10.598 285 HD13 LEU 45 3HD1 LEU 45 -11.748 -13.045 -10.521 286 HD21 LEU 45 1HD2 LEU 45 -11.478 -14.012 -7.009 287 HD22 LEU 45 2HD2 LEU 45 -12.116 -14.467 -8.589 288 HD23 LEU 45 3HD2 LEU 45 -12.752 -13.048 -7.756 289 H VAL 46 H VAL 46 -9.034 -14.395 -5.095 290 HA VAL 46 HA VAL 46 -6.499 -13.878 -3.946 291 HB VAL 46 HB VAL 46 -7.982 -16.504 -4.133 292 HG11 VAL 46 1HG1 VAL 46 -5.559 -15.619 -2.622 293 HG12 VAL 46 2HG1 VAL 46 -6.617 -16.861 -1.950 294 HG13 VAL 46 3HG1 VAL 46 -5.839 -17.115 -3.513 295 HG21 VAL 46 1HG2 VAL 46 -8.178 -15.500 -1.550 296 HG22 VAL 46 2HG2 VAL 46 -8.455 -14.102 -2.589 297 HG23 VAL 46 3HG2 VAL 46 -9.456 -15.543 -2.765 298 H GLY 47 H GLY 47 -4.484 -14.425 -4.557 299 HA2 GLY 47 1HA GLY 47 -2.779 -15.476 -5.721 300 HA3 GLY 47 2HA GLY 47 -3.980 -16.518 -6.470 301 H LYS 48 H LYS 48 -5.340 -13.743 -7.092 302 HA LYS 48 HA LYS 48 -3.962 -13.447 -9.663 303 HB2 LYS 48 1HB LYS 48 -6.755 -13.031 -8.726 304 HB3 LYS 48 2HB LYS 48 -6.175 -11.995 -10.023 305 HG2 LYS 48 1HG LYS 48 -5.411 -14.270 -11.077 306 HG3 LYS 48 2HG LYS 48 -6.650 -14.932 -10.007 307 HD2 LYS 48 1HD LYS 48 -8.335 -13.538 -11.008 308 HD3 LYS 48 2HD LYS 48 -7.122 -12.688 -11.969 309 HE2 LYS 48 1HE LYS 48 -6.577 -15.032 -12.915 310 HE3 LYS 48 2HE LYS 48 -8.151 -15.487 -12.265 311 HZ1 LYS 48 1HZ LYS 48 -8.583 -14.854 -14.444 312 HZ2 LYS 48 2HZ LYS 48 -7.536 -13.527 -14.386 313 HZ3 LYS 48 3HZ LYS 48 -9.008 -13.480 -13.552 314 HA PRO 49 HA PRO 49 -2.332 -9.500 -8.622 315 HB2 PRO 49 1HB PRO 49 -2.229 -8.364 -11.085 316 HB3 PRO 49 2HB PRO 49 -1.120 -9.639 -10.568 317 HG2 PRO 49 1HG PRO 49 -3.591 -9.844 -12.246 318 HG3 PRO 49 2HG PRO 49 -2.017 -10.629 -12.471 319 HD2 PRO 49 1HD PRO 49 -4.145 -11.912 -11.395 320 HD3 PRO 49 2HD PRO 49 -2.473 -12.270 -10.918 321 H ALA 50 H ALA 50 -3.023 -7.478 -8.085 322 HA ALA 50 HA ALA 50 -5.460 -6.423 -9.303 323 HB1 ALA 50 1HB ALA 50 -6.641 -7.254 -7.570 324 HB2 ALA 50 2HB ALA 50 -5.225 -7.386 -6.527 325 HB3 ALA 50 3HB ALA 50 -6.020 -5.826 -6.741 326 H GLU 51 H GLU 51 -5.192 -4.346 -9.776 327 HA GLU 51 HA GLU 51 -3.487 -2.693 -8.056 328 HB2 GLU 51 1HB GLU 51 -2.695 -1.595 -10.269 329 HB3 GLU 51 2HB GLU 51 -1.949 -3.099 -9.748 330 HG2 GLU 51 1HG GLU 51 -2.319 -3.565 -11.945 331 HG3 GLU 51 2HG GLU 51 -3.814 -4.178 -11.239 332 H PHE 52 H PHE 52 -3.691 -0.303 -8.788 333 HA PHE 52 HA PHE 52 -6.380 0.301 -9.769 334 HB2 PHE 52 1HB PHE 52 -6.389 2.084 -7.822 335 HB3 PHE 52 2HB PHE 52 -6.945 0.438 -7.538 336 HD1 PHE 52 1HD PHE 52 -5.129 -1.234 -6.697 337 HD2 PHE 52 2HD PHE 52 -4.813 3.001 -6.418 338 HE1 PHE 52 1HE PHE 52 -3.480 -1.480 -4.887 339 HE2 PHE 52 2HE PHE 52 -3.163 2.763 -4.608 340 HZ PHE 52 HZ PHE 52 -2.494 0.520 -3.841 341 H THR 53 H THR 53 -6.601 2.839 -9.817 342 HA THR 53 HA THR 53 -4.131 3.863 -11.054 343 HB THR 53 HB THR 53 -6.947 4.803 -11.616 344 HG1 THR 53 1HG THR 53 -5.329 3.086 -13.215 345 HG21 THR 53 1HG2 THR 53 -4.336 5.772 -12.323 346 HG22 THR 53 2HG2 THR 53 -5.917 6.465 -12.685 347 HG23 THR 53 3HG2 THR 53 -5.206 5.272 -13.773 348 H ILE 54 H ILE 54 -3.109 5.259 -9.782 349 HA ILE 54 HA ILE 54 -4.681 6.971 -7.987 350 HB ILE 54 HB ILE 54 -1.752 6.245 -7.942 351 HG12 ILE 54 1HG1 ILE 54 -3.935 5.676 -5.929 352 HG13 ILE 54 2HG1 ILE 54 -3.410 4.530 -7.158 353 HG21 ILE 54 1HG2 ILE 54 -1.922 7.474 -5.667 354 HG22 ILE 54 2HG2 ILE 54 -1.719 8.416 -7.143 355 HG23 ILE 54 3HG2 ILE 54 -3.312 8.276 -6.399 356 HD11 ILE 54 1HD1 ILE 54 -1.095 5.393 -5.818 357 HD12 ILE 54 2HD1 ILE 54 -2.306 5.041 -4.584 358 HD13 ILE 54 3HD1 ILE 54 -1.863 3.806 -5.763 359 H ASP 55 H ASP 55 -4.666 9.145 -8.156 360 HA ASP 55 HA ASP 55 -3.077 10.302 -10.350 361 HB2 ASP 55 1HB ASP 55 -5.838 10.822 -9.353 362 HB3 ASP 55 2HB ASP 55 -4.929 12.180 -10.010 363 H THR 56 H THR 56 -1.490 11.625 -9.793 364 HA THR 56 HA THR 56 -1.671 13.033 -7.208 365 HB THR 56 HB THR 56 0.799 12.913 -7.067 366 HG1 THR 56 1HG THR 56 0.538 11.148 -9.295 367 HG21 THR 56 1HG2 THR 56 -0.139 10.093 -7.390 368 HG22 THR 56 2HG2 THR 56 -0.889 11.122 -6.170 369 HG23 THR 56 3HG2 THR 56 0.846 10.809 -6.115 370 H LYS 57 H LYS 57 -2.327 13.795 -10.066 371 HA LYS 57 HA LYS 57 -0.373 15.767 -10.799 372 HB2 LYS 57 1HB LYS 57 -3.206 15.625 -11.814 373 HB3 LYS 57 2HB LYS 57 -1.791 16.277 -12.630 374 HG2 LYS 57 1HG LYS 57 -0.964 14.177 -13.153 375 HG3 LYS 57 2HG LYS 57 -1.919 13.380 -11.900 376 HD2 LYS 57 1HD LYS 57 -3.901 13.553 -13.150 377 HD3 LYS 57 2HD LYS 57 -3.209 14.757 -14.239 378 HE2 LYS 57 1HE LYS 57 -3.061 12.920 -15.579 379 HE3 LYS 57 2HE LYS 57 -1.514 12.786 -14.743 380 HZ1 LYS 57 1HZ LYS 57 -2.612 10.669 -14.751 381 HZ2 LYS 57 2HZ LYS 57 -4.014 11.330 -14.073 382 HZ3 LYS 57 3HZ LYS 57 -2.588 11.258 -13.165 383 H GLY 58 H GLY 58 -0.124 17.624 -9.753 384 HA2 GLY 58 1HA GLY 58 -0.988 19.810 -9.247 385 HA3 GLY 58 2HA GLY 58 -2.539 19.068 -8.883 386 H ALA 59 H ALA 59 -1.154 16.898 -7.356 387 HA ALA 59 HA ALA 59 -1.455 17.875 -4.790 388 HB1 ALA 59 1HB ALA 59 0.472 15.857 -4.585 389 HB2 ALA 59 2HB ALA 59 -1.279 15.689 -4.442 390 HB3 ALA 59 3HB ALA 59 -0.495 15.452 -6.004 391 H GLY 60 H GLY 60 1.693 17.153 -6.325 392 HA2 GLY 60 1HA GLY 60 3.109 19.379 -6.085 393 HA3 GLY 60 2HA GLY 60 3.001 18.911 -4.395 394 H THR 61 H THR 61 5.222 18.607 -4.197 395 HA THR 61 HA THR 61 6.248 16.210 -5.570 396 HB THR 61 HB THR 61 7.872 18.645 -4.806 397 HG1 THR 61 1HG THR 61 7.510 17.755 -7.450 398 HG21 THR 61 1HG2 THR 61 8.572 15.983 -6.002 399 HG22 THR 61 2HG2 THR 61 9.342 16.836 -4.664 400 HG23 THR 61 3HG2 THR 61 9.560 17.408 -6.317 401 H GLY 62 H GLY 62 6.662 14.612 -4.199 402 HA2 GLY 62 1HA GLY 62 8.179 14.949 -1.827 403 HA3 GLY 62 2HA GLY 62 6.475 14.778 -1.430 404 H GLY 63 H GLY 63 5.502 12.794 -1.567 405 HA2 GLY 63 1HA GLY 63 6.453 10.579 -2.991 406 HA3 GLY 63 2HA GLY 63 7.145 10.512 -1.376 407 H LEU 64 H LEU 64 5.477 8.517 -2.309 408 HA LEU 64 HA LEU 64 3.160 8.868 -0.537 409 HB2 LEU 64 1HB LEU 64 2.447 9.116 -2.881 410 HB3 LEU 64 2HB LEU 64 3.106 7.520 -3.234 411 HG LEU 64 HG LEU 64 1.440 6.708 -1.416 412 HD11 LEU 64 1HD1 LEU 64 0.909 9.117 -0.787 413 HD12 LEU 64 2HD1 LEU 64 -0.457 8.025 -1.012 414 HD13 LEU 64 3HD1 LEU 64 -0.033 9.178 -2.277 415 HD21 LEU 64 1HD2 LEU 64 -0.402 6.727 -3.197 416 HD22 LEU 64 2HD2 LEU 64 1.130 5.954 -3.605 417 HD23 LEU 64 3HD2 LEU 64 0.769 7.572 -4.210 418 H GLY 65 H GLY 65 2.778 7.204 0.817 419 HA2 GLY 65 1HA GLY 65 4.423 4.778 0.440 420 HA3 GLY 65 2HA GLY 65 4.026 5.455 2.012 421 H LEU 66 H LEU 66 3.440 2.865 0.315 422 HA LEU 66 HA LEU 66 0.604 2.717 1.098 423 HB2 LEU 66 1HB LEU 66 0.375 2.491 -1.149 424 HB3 LEU 66 2HB LEU 66 2.006 1.858 -1.361 425 HG LEU 66 HG LEU 66 1.114 -0.302 -0.325 426 HD11 LEU 66 1HD1 LEU 66 -0.921 0.291 0.635 427 HD12 LEU 66 2HD1 LEU 66 -1.389 -0.546 -0.844 428 HD13 LEU 66 3HD1 LEU 66 -1.430 1.216 -0.778 429 HD21 LEU 66 1HD2 LEU 66 0.117 -1.011 -2.494 430 HD22 LEU 66 2HD2 LEU 66 1.666 -0.183 -2.653 431 HD23 LEU 66 3HD2 LEU 66 0.167 0.673 -3.015 432 H THR 67 H THR 67 -0.007 1.056 2.369 433 HA THR 67 HA THR 67 1.802 -1.212 2.741 434 HB THR 67 HB THR 67 1.316 -0.996 5.277 435 HG1 THR 67 1HG THR 67 1.016 1.163 5.950 436 HG21 THR 67 1HG2 THR 67 3.455 -0.302 3.706 437 HG22 THR 67 2HG2 THR 67 3.457 -0.346 5.470 438 HG23 THR 67 3HG2 THR 67 3.166 1.175 4.625 439 H VAL 68 H VAL 68 0.705 -3.060 2.722 440 HA VAL 68 HA VAL 68 -2.192 -3.007 2.832 441 HB VAL 68 HB VAL 68 -0.188 -5.144 2.155 442 HG11 VAL 68 1HG1 VAL 68 -1.656 -6.589 3.089 443 HG12 VAL 68 2HG1 VAL 68 -3.001 -5.450 3.003 444 HG13 VAL 68 3HG1 VAL 68 -2.512 -6.350 1.566 445 HG21 VAL 68 1HG2 VAL 68 -0.491 -4.163 0.165 446 HG22 VAL 68 2HG2 VAL 68 -2.047 -4.993 0.150 447 HG23 VAL 68 3HG2 VAL 68 -1.945 -3.320 0.698 448 H GLU 69 H GLU 69 -3.080 -2.975 4.800 449 HA GLU 69 HA GLU 69 -1.841 -4.471 6.981 450 HB2 GLU 69 1HB GLU 69 -3.799 -2.243 6.789 451 HB3 GLU 69 2HB GLU 69 -3.943 -3.321 8.170 452 HG2 GLU 69 1HG GLU 69 -1.321 -2.072 7.450 453 HG3 GLU 69 2HG GLU 69 -2.520 -1.203 8.407 454 H GLY 70 H GLY 70 -2.718 -6.261 5.236 455 HA2 GLY 70 1HA GLY 70 -5.451 -7.039 5.876 456 HA3 GLY 70 2HA GLY 70 -4.388 -7.824 4.718 457 HA PRO 71 HA PRO 71 -4.699 -10.318 8.691 458 HB2 PRO 71 1HB PRO 71 -5.744 -12.554 7.560 459 HB3 PRO 71 2HB PRO 71 -6.743 -11.235 8.181 460 HG2 PRO 71 1HG PRO 71 -5.923 -11.824 5.363 461 HG3 PRO 71 2HG PRO 71 -7.505 -11.321 5.986 462 HD2 PRO 71 1HD PRO 71 -5.787 -9.592 4.807 463 HD3 PRO 71 2HD PRO 71 -6.893 -9.102 6.107 464 H CYS 72 H CYS 72 -3.478 -10.794 5.473 465 HA CYS 72 HA CYS 72 -1.423 -12.609 6.552 466 HB2 CYS 72 1HB CYS 72 -1.343 -13.255 3.956 467 HB3 CYS 72 2HB CYS 72 -2.403 -14.070 5.099 468 HG CYS 72 HG CYS 72 -3.178 -11.988 2.568 469 H GLU 73 H GLU 73 0.434 -12.671 4.693 470 HA GLU 73 HA GLU 73 1.275 -9.867 4.451 471 HB2 GLU 73 1HB GLU 73 2.828 -11.134 5.744 472 HB3 GLU 73 2HB GLU 73 2.837 -12.444 4.571 473 HG2 GLU 73 1HG GLU 73 3.936 -10.984 2.949 474 HG3 GLU 73 2HG GLU 73 3.935 -9.676 4.130 475 H ALA 74 H ALA 74 0.269 -9.332 2.519 476 HA ALA 74 HA ALA 74 0.835 -10.939 0.152 477 HB1 ALA 74 1HB ALA 74 -1.388 -9.558 0.914 478 HB2 ALA 74 2HB ALA 74 -0.638 -8.438 -0.225 479 HB3 ALA 74 3HB ALA 74 -1.035 -10.080 -0.734 480 H LYS 75 H LYS 75 2.068 -10.273 -1.558 481 HA LYS 75 HA LYS 75 4.097 -8.337 -1.026 482 HB2 LYS 75 1HB LYS 75 4.197 -10.507 -2.469 483 HB3 LYS 75 2HB LYS 75 3.571 -9.478 -3.751 484 HG2 LYS 75 1HG LYS 75 5.812 -9.295 -4.129 485 HG3 LYS 75 2HG LYS 75 5.565 -7.925 -3.043 486 HD2 LYS 75 1HD LYS 75 7.469 -9.024 -2.213 487 HD3 LYS 75 2HD LYS 75 6.153 -9.532 -1.152 488 HE2 LYS 75 1HE LYS 75 6.083 -11.666 -2.049 489 HE3 LYS 75 2HE LYS 75 6.857 -11.169 -3.552 490 HZ1 LYS 75 1HZ LYS 75 8.247 -12.510 -1.950 491 HZ2 LYS 75 2HZ LYS 75 8.287 -11.138 -0.962 492 HZ3 LYS 75 3HZ LYS 75 8.943 -11.077 -2.520 493 H ILE 76 H ILE 76 4.534 -6.411 -2.173 494 HA ILE 76 HA ILE 76 2.281 -5.291 -3.693 495 HB ILE 76 HB ILE 76 3.840 -3.696 -1.664 496 HG12 ILE 76 1HG1 ILE 76 0.988 -4.521 -1.261 497 HG13 ILE 76 2HG1 ILE 76 2.279 -5.635 -0.824 498 HG21 ILE 76 1HG2 ILE 76 2.039 -3.018 -3.768 499 HG22 ILE 76 2HG2 ILE 76 1.294 -2.614 -2.222 500 HG23 ILE 76 3HG2 ILE 76 2.875 -1.953 -2.638 501 HD11 ILE 76 1HD1 ILE 76 3.146 -3.390 0.383 502 HD12 ILE 76 2HD1 ILE 76 1.400 -3.154 0.471 503 HD13 ILE 76 3HD1 ILE 76 2.130 -4.605 1.158 504 H GLU 77 H GLU 77 2.930 -4.629 -5.622 505 HA GLU 77 HA GLU 77 5.740 -3.809 -5.956 506 HB2 GLU 77 1HB GLU 77 3.844 -5.249 -7.788 507 HB3 GLU 77 2HB GLU 77 5.222 -4.369 -8.436 508 HG2 GLU 77 1HG GLU 77 6.759 -5.752 -7.255 509 HG3 GLU 77 2HG GLU 77 5.456 -6.518 -6.348 510 H CYS 78 H CYS 78 5.881 -1.666 -6.017 511 HA CYS 78 HA CYS 78 3.813 -0.167 -7.486 512 HB2 CYS 78 1HB CYS 78 4.362 1.758 -6.080 513 HB3 CYS 78 2HB CYS 78 3.897 0.380 -5.090 514 HG CYS 78 HG CYS 78 6.217 2.148 -4.287 515 H SER 79 H SER 79 4.407 0.963 -9.225 516 HA SER 79 HA SER 79 7.232 1.660 -9.585 517 HB2 SER 79 1HB SER 79 6.904 -0.436 -10.805 518 HB3 SER 79 2HB SER 79 5.526 0.259 -11.659 519 HG SER 79 HG SER 79 7.981 1.593 -11.781 520 H ASP 80 H ASP 80 7.164 3.811 -9.637 521 HA ASP 80 HA ASP 80 4.982 5.392 -10.357 522 HB2 ASP 80 1HB ASP 80 6.802 7.198 -10.687 523 HB3 ASP 80 2HB ASP 80 6.626 6.475 -9.090 524 H ASN 81 H ASN 81 4.562 6.672 -12.205 525 HA ASN 81 HA ASN 81 5.488 5.423 -14.686 526 HB2 ASN 81 1HB ASN 81 3.161 7.275 -14.134 527 HB3 ASN 81 2HB ASN 81 3.572 6.640 -15.724 528 HD21 ASN 81 1HD2 ASN 81 2.343 5.886 -12.563 529 HD22 ASN 81 2HD2 ASN 81 1.685 4.340 -12.966 530 H GLY 82 H GLY 82 4.796 8.715 -13.483 531 HA2 GLY 82 1HA GLY 82 6.695 10.314 -13.619 532 HA3 GLY 82 2HA GLY 82 6.979 9.674 -15.231 533 H ASP 83 H ASP 83 3.791 9.631 -15.154 534 HA ASP 83 HA ASP 83 3.584 12.295 -16.358 535 HB2 ASP 83 1HB ASP 83 1.629 11.490 -17.500 536 HB3 ASP 83 2HB ASP 83 2.894 10.275 -17.673 537 H GLY 84 H GLY 84 2.733 10.578 -13.550 538 HA2 GLY 84 1HA GLY 84 1.952 12.174 -11.761 539 HA3 GLY 84 2HA GLY 84 0.671 12.588 -12.891 540 H THR 85 H THR 85 1.740 9.304 -12.697 541 HA THR 85 HA THR 85 -0.472 8.592 -10.915 542 HB THR 85 HB THR 85 -1.046 6.688 -12.510 543 HG1 THR 85 1HG THR 85 0.781 6.929 -13.889 544 HG21 THR 85 1HG2 THR 85 -2.231 9.017 -12.168 545 HG22 THR 85 2HG2 THR 85 -2.743 7.922 -13.452 546 HG23 THR 85 3HG2 THR 85 -1.690 9.287 -13.824 547 H CYS 86 H CYS 86 -0.417 5.992 -10.788 548 HA CYS 86 HA CYS 86 2.318 5.002 -10.732 549 HB2 CYS 86 1HB CYS 86 1.561 6.192 -8.489 550 HB3 CYS 86 2HB CYS 86 0.757 4.652 -8.211 551 HG CYS 86 HG CYS 86 3.442 3.421 -8.901 552 H SER 87 H SER 87 2.476 2.763 -10.751 553 HA SER 87 HA SER 87 -0.071 1.361 -11.213 554 HB2 SER 87 1HB SER 87 1.374 1.385 -13.177 555 HB3 SER 87 2HB SER 87 2.708 0.723 -12.233 556 HG SER 87 HG SER 87 0.928 -1.004 -11.814 557 H VAL 88 H VAL 88 -0.344 1.002 -8.939 558 HA VAL 88 HA VAL 88 1.597 -0.737 -7.627 559 HB VAL 88 HB VAL 88 -0.960 0.450 -6.539 560 HG11 VAL 88 1HG1 VAL 88 0.248 -1.710 -5.551 561 HG12 VAL 88 2HG1 VAL 88 1.236 -0.469 -4.777 562 HG13 VAL 88 3HG1 VAL 88 -0.510 -0.494 -4.524 563 HG21 VAL 88 1HG2 VAL 88 1.905 1.358 -6.381 564 HG22 VAL 88 2HG2 VAL 88 0.517 2.245 -7.013 565 HG23 VAL 88 3HG2 VAL 88 0.650 1.932 -5.282 566 H SER 89 H SER 89 1.413 -2.869 -7.689 567 HA SER 89 HA SER 89 -1.269 -4.054 -7.949 568 HB2 SER 89 1HB SER 89 -0.139 -5.871 -9.334 569 HB3 SER 89 2HB SER 89 -0.327 -4.304 -10.120 570 HG SER 89 HG SER 89 1.794 -3.952 -9.975 571 H TYR 90 H TYR 90 -1.726 -5.538 -6.460 572 HA TYR 90 HA TYR 90 0.507 -6.719 -4.941 573 HB2 TYR 90 1HB TYR 90 -0.893 -6.715 -2.965 574 HB3 TYR 90 2HB TYR 90 -0.829 -5.086 -3.629 575 HD1 TYR 90 1HD TYR 90 -2.794 -4.159 -4.820 576 HD2 TYR 90 2HD TYR 90 -2.949 -7.924 -2.844 577 HE1 TYR 90 1HE TYR 90 -5.252 -4.082 -4.878 578 HE2 TYR 90 2HE TYR 90 -5.407 -7.858 -2.897 579 HH TYR 90 HH TYR 90 -7.145 -5.012 -3.972 580 H LEU 91 H LEU 91 0.221 -8.866 -4.162 581 HA LEU 91 HA LEU 91 -1.853 -10.398 -5.589 582 HB2 LEU 91 1HB LEU 91 1.073 -10.807 -5.397 583 HB3 LEU 91 2HB LEU 91 0.058 -12.245 -5.320 584 HG LEU 91 HG LEU 91 -0.251 -10.280 -7.560 585 HD11 LEU 91 1HD1 LEU 91 2.153 -10.923 -7.364 586 HD12 LEU 91 2HD1 LEU 91 1.380 -11.434 -8.864 587 HD13 LEU 91 3HD1 LEU 91 1.664 -12.605 -7.576 588 HD21 LEU 91 1HD2 LEU 91 -1.921 -11.757 -7.876 589 HD22 LEU 91 2HD2 LEU 91 -1.150 -13.002 -6.892 590 HD23 LEU 91 3HD2 LEU 91 -0.640 -12.756 -8.563 591 HA PRO 92 HA PRO 92 -2.699 -11.355 -1.257 592 HB2 PRO 92 1HB PRO 92 -5.172 -12.363 -1.742 593 HB3 PRO 92 2HB PRO 92 -4.848 -10.630 -1.625 594 HG2 PRO 92 1HG PRO 92 -5.147 -12.341 -4.063 595 HG3 PRO 92 2HG PRO 92 -5.798 -10.722 -3.746 596 HD2 PRO 92 1HD PRO 92 -3.586 -11.133 -5.253 597 HD3 PRO 92 2HD PRO 92 -3.804 -9.684 -4.250 598 H THR 93 H THR 93 -3.813 -13.459 -0.328 599 HA THR 93 HA THR 93 -2.858 -15.811 -1.810 600 HB THR 93 HB THR 93 -1.106 -15.421 -0.238 601 HG1 THR 93 1HG THR 93 -2.893 -17.398 0.781 602 HG21 THR 93 1HG2 THR 93 -1.343 -14.619 1.864 603 HG22 THR 93 2HG2 THR 93 -2.784 -15.585 2.183 604 HG23 THR 93 3HG2 THR 93 -2.913 -14.086 1.264 605 H LYS 94 H LYS 94 -4.938 -14.480 0.692 606 HA LYS 94 HA LYS 94 -6.762 -16.749 0.289 607 HB2 LYS 94 1HB LYS 94 -7.225 -16.932 2.622 608 HB3 LYS 94 2HB LYS 94 -5.476 -16.970 2.441 609 HG2 LYS 94 1HG LYS 94 -5.679 -14.397 2.870 610 HG3 LYS 94 2HG LYS 94 -7.217 -14.856 3.604 611 HD2 LYS 94 1HD LYS 94 -4.734 -16.344 4.339 612 HD3 LYS 94 2HD LYS 94 -5.038 -14.757 5.050 613 HE2 LYS 94 1HE LYS 94 -5.979 -16.244 6.579 614 HE3 LYS 94 2HE LYS 94 -7.358 -15.685 5.634 615 HZ1 LYS 94 1HZ LYS 94 -7.216 -18.149 6.057 616 HZ2 LYS 94 2HZ LYS 94 -5.903 -18.182 4.991 617 HZ3 LYS 94 3HZ LYS 94 -7.426 -17.691 4.442 618 HA PRO 95 HA PRO 95 -9.859 -13.687 -0.298 619 HB2 PRO 95 1HB PRO 95 -12.062 -15.070 0.479 620 HB3 PRO 95 2HB PRO 95 -11.213 -15.390 -1.037 621 HG2 PRO 95 1HG PRO 95 -11.037 -16.840 1.576 622 HG3 PRO 95 2HG PRO 95 -11.122 -17.502 -0.067 623 HD2 PRO 95 1HD PRO 95 -8.796 -17.306 1.306 624 HD3 PRO 95 2HD PRO 95 -8.878 -17.149 -0.461 625 H GLY 96 H GLY 96 -10.380 -11.962 0.887 626 HA2 GLY 96 1HA GLY 96 -11.790 -12.037 3.313 627 HA3 GLY 96 2HA GLY 96 -10.081 -11.852 3.679 628 H GLU 97 H GLU 97 -9.332 -9.845 3.800 629 HA GLU 97 HA GLU 97 -10.391 -7.760 2.086 630 HB2 GLU 97 1HB GLU 97 -11.296 -6.382 3.703 631 HB3 GLU 97 2HB GLU 97 -11.776 -7.967 4.293 632 HG2 GLU 97 1HG GLU 97 -9.594 -7.854 5.670 633 HG3 GLU 97 2HG GLU 97 -9.669 -6.124 5.336 634 H TYR 98 H TYR 98 -8.923 -6.181 1.667 635 HA TYR 98 HA TYR 98 -6.424 -6.214 3.224 636 HB2 TYR 98 1HB TYR 98 -6.704 -5.974 0.222 637 HB3 TYR 98 2HB TYR 98 -5.198 -5.776 1.110 638 HD1 TYR 98 1HD TYR 98 -7.754 -8.185 0.025 639 HD2 TYR 98 2HD TYR 98 -4.005 -7.680 1.973 640 HE1 TYR 98 1HE TYR 98 -7.355 -10.608 -0.128 641 HE2 TYR 98 2HE TYR 98 -3.595 -10.101 1.823 642 HH TYR 98 HH TYR 98 -5.509 -12.278 1.568 643 H PHE 99 H PHE 99 -6.226 -4.337 4.236 644 HA PHE 99 HA PHE 99 -7.528 -1.954 3.232 645 HB2 PHE 99 1HB PHE 99 -6.030 -2.632 5.749 646 HB3 PHE 99 2HB PHE 99 -6.420 -0.961 5.354 647 HD1 PHE 99 2HD PHE 99 -8.169 -4.261 5.374 648 HD2 PHE 99 1HD PHE 99 -8.293 -0.122 6.358 649 HE1 PHE 99 2HE PHE 99 -10.412 -4.561 6.340 650 HE2 PHE 99 1HE PHE 99 -10.535 -0.416 7.327 651 HZ PHE 99 HZ PHE 99 -11.598 -2.637 7.318 652 H VAL 100 H VAL 100 -6.593 -0.563 1.901 653 HA VAL 100 HA VAL 100 -3.687 -0.637 1.562 654 HB VAL 100 HB VAL 100 -5.821 0.688 -0.117 655 HG11 VAL 100 1HG1 VAL 100 -3.215 1.469 0.059 656 HG12 VAL 100 2HG1 VAL 100 -3.155 0.303 -1.265 657 HG13 VAL 100 3HG1 VAL 100 -4.243 1.688 -1.357 658 HG21 VAL 100 1HG2 VAL 100 -5.906 -1.165 -1.379 659 HG22 VAL 100 2HG2 VAL 100 -4.166 -1.435 -1.273 660 HG23 VAL 100 3HG2 VAL 100 -5.222 -1.968 0.035 661 H ASN 101 H ASN 101 -2.742 0.618 3.076 662 HA ASN 101 HA ASN 101 -3.879 3.136 3.893 663 HB2 ASN 101 1HB ASN 101 -1.241 1.808 4.551 664 HB3 ASN 101 2HB ASN 101 -1.795 3.319 5.267 665 HD21 ASN 101 1HD2 ASN 101 -2.704 -0.064 4.816 666 HD22 ASN 101 2HD2 ASN 101 -3.551 -0.219 6.314 667 H ILE 102 H ILE 102 -3.873 4.643 2.310 668 HA ILE 102 HA ILE 102 -1.390 5.112 0.821 669 HB ILE 102 HB ILE 102 -4.065 6.399 0.300 670 HG12 ILE 102 1HG1 ILE 102 -2.945 3.944 -1.063 671 HG13 ILE 102 2HG1 ILE 102 -4.166 3.886 0.203 672 HG21 ILE 102 1HG2 ILE 102 -2.555 7.637 -0.890 673 HG22 ILE 102 2HG2 ILE 102 -1.439 6.288 -1.092 674 HG23 ILE 102 3HG2 ILE 102 -2.906 6.371 -2.067 675 HD11 ILE 102 1HD1 ILE 102 -5.341 5.608 -1.480 676 HD12 ILE 102 2HD1 ILE 102 -4.404 4.649 -2.627 677 HD13 ILE 102 3HD1 ILE 102 -5.561 3.860 -1.556 678 H LEU 103 H LEU 103 -0.059 6.527 1.737 679 HA LEU 103 HA LEU 103 -1.197 9.020 2.806 680 HB2 LEU 103 1HB LEU 103 0.967 8.826 4.341 681 HB3 LEU 103 2HB LEU 103 -0.600 8.172 4.812 682 HG LEU 103 HG LEU 103 0.381 6.003 3.626 683 HD11 LEU 103 1HD1 LEU 103 2.737 5.748 3.980 684 HD12 LEU 103 2HD1 LEU 103 2.850 7.350 4.706 685 HD13 LEU 103 3HD1 LEU 103 2.473 7.184 2.991 686 HD21 LEU 103 1HD2 LEU 103 0.493 7.055 6.381 687 HD22 LEU 103 2HD2 LEU 103 1.500 5.646 6.044 688 HD23 LEU 103 3HD2 LEU 103 -0.239 5.577 5.755 689 H PHE 104 H PHE 104 -0.242 10.845 2.121 690 HA PHE 104 HA PHE 104 2.084 10.562 0.356 691 HB2 PHE 104 1HB PHE 104 -0.118 11.659 -0.406 692 HB3 PHE 104 2HB PHE 104 0.366 13.022 0.598 693 HD1 PHE 104 1HD PHE 104 2.114 10.779 -1.823 694 HD2 PHE 104 2HD PHE 104 1.196 14.761 -0.632 695 HE1 PHE 104 1HE PHE 104 3.488 11.645 -3.671 696 HE2 PHE 104 2HE PHE 104 2.568 15.634 -2.478 697 HZ PHE 104 HZ PHE 104 3.715 14.075 -4.002 698 H GLU 105 H GLU 105 3.974 10.940 1.299 699 HA GLU 105 HA GLU 105 5.607 11.858 2.590 700 HB2 GLU 105 1HB GLU 105 3.813 14.234 2.148 701 HB3 GLU 105 2HB GLU 105 5.296 14.361 3.082 702 HG2 GLU 105 1HG GLU 105 5.414 13.156 0.366 703 HG3 GLU 105 2HG GLU 105 5.251 14.905 0.521 704 H GLU 106 H GLU 106 3.730 10.359 3.975 705 HA GLU 106 HA GLU 106 3.265 9.837 6.150 706 HB2 GLU 106 1HB GLU 106 4.320 12.506 7.041 707 HB3 GLU 106 2HB GLU 106 4.289 10.985 7.923 708 HG2 GLU 106 1HG GLU 106 5.890 10.178 6.036 709 HG3 GLU 106 2HG GLU 106 6.164 11.903 5.798 710 H VAL 107 H VAL 107 1.510 11.369 4.346 711 HA VAL 107 HA VAL 107 -0.288 12.482 6.395 712 HB VAL 107 HB VAL 107 -0.125 13.564 3.587 713 HG11 VAL 107 1HG1 VAL 107 -1.783 14.058 5.944 714 HG12 VAL 107 2HG1 VAL 107 -1.112 15.521 5.222 715 HG13 VAL 107 3HG1 VAL 107 -2.086 14.422 4.245 716 HG21 VAL 107 1HG2 VAL 107 0.965 15.080 5.907 717 HG22 VAL 107 2HG2 VAL 107 1.966 13.831 5.167 718 HG23 VAL 107 3HG2 VAL 107 1.381 15.182 4.196 719 H HIS 108 H HIS 108 -1.824 10.966 6.567 720 HA HIS 108 HA HIS 108 -2.622 9.163 4.594 721 HB2 HIS 108 1HB HIS 108 -3.744 10.095 7.184 722 HB3 HIS 108 2HB HIS 108 -4.840 9.248 6.097 723 HD1 HIS 108 1HD HIS 108 -4.787 6.771 6.225 724 HD2 HIS 108 2HD HIS 108 -1.335 8.486 7.777 725 HE1 HIS 108 1HE HIS 108 -3.462 4.862 7.186 726 HE2 HIS 108 2HE HIS 108 -1.418 5.935 8.195 727 H ILE 109 H ILE 109 -3.875 9.326 2.852 728 HA ILE 109 HA ILE 109 -4.986 11.863 2.111 729 HB ILE 109 HB ILE 109 -5.622 10.820 0.037 730 HG12 ILE 109 1HG1 ILE 109 -4.687 8.147 1.040 731 HG13 ILE 109 2HG1 ILE 109 -6.352 8.660 1.285 732 HG21 ILE 109 1HG2 ILE 109 -3.392 11.347 -0.116 733 HG22 ILE 109 2HG2 ILE 109 -2.923 10.200 1.138 734 HG23 ILE 109 3HG2 ILE 109 -3.352 9.621 -0.472 735 HD11 ILE 109 1HD1 ILE 109 -4.964 8.410 -1.372 736 HD12 ILE 109 2HD1 ILE 109 -6.125 7.268 -0.693 737 HD13 ILE 109 3HD1 ILE 109 -6.639 8.900 -1.118 738 HA PRO 110 HA PRO 110 -9.113 11.414 3.547 739 HB2 PRO 110 1HB PRO 110 -10.463 12.792 1.637 740 HB3 PRO 110 2HB PRO 110 -9.452 13.579 2.855 741 HG2 PRO 110 1HG PRO 110 -8.812 12.909 0.009 742 HG3 PRO 110 2HG PRO 110 -8.456 14.389 0.917 743 HD2 PRO 110 1HD PRO 110 -6.601 12.465 0.483 744 HD3 PRO 110 2HD PRO 110 -6.616 13.462 1.951 745 H GLY 111 H GLY 111 -9.088 9.067 3.110 746 HA2 GLY 111 1HA GLY 111 -11.289 8.036 1.980 747 HA3 GLY 111 2HA GLY 111 -10.227 8.184 0.588 748 H SER 112 H SER 112 -7.997 7.691 2.735 749 HA SER 112 HA SER 112 -8.115 4.771 2.461 750 HB2 SER 112 1HB SER 112 -5.824 4.745 2.283 751 HB3 SER 112 2HB SER 112 -6.134 6.365 1.661 752 HG SER 112 HG SER 112 -5.416 5.691 4.324 753 HA PRO 113 HA PRO 113 -6.489 3.215 3.314 754 HB2 PRO 113 1HB PRO 113 -7.361 0.925 4.484 755 HB3 PRO 113 2HB PRO 113 -5.908 1.781 5.013 756 HG2 PRO 113 1HG PRO 113 -8.665 1.833 6.176 757 HG3 PRO 113 2HG PRO 113 -7.102 1.739 7.008 758 HD2 PRO 113 1HD PRO 113 -8.498 4.048 6.788 759 HD3 PRO 113 2HD PRO 113 -6.723 4.004 6.820 760 H PHE 114 H PHE 114 -7.483 1.386 2.029 761 HA PHE 114 HA PHE 114 -10.362 1.863 1.621 762 HB2 PHE 114 1HB PHE 114 -8.170 1.501 -0.418 763 HB3 PHE 114 2HB PHE 114 -9.872 1.294 -0.818 764 HD1 PHE 114 1HD PHE 114 -7.392 3.729 0.449 765 HD2 PHE 114 2HD PHE 114 -11.239 3.141 -1.272 766 HE1 PHE 114 1HE PHE 114 -7.593 6.154 0.079 767 HE2 PHE 114 2HE PHE 114 -11.447 5.564 -1.646 768 HZ PHE 114 HZ PHE 114 -9.622 7.074 -0.970 769 H LYS 115 H LYS 115 -11.144 0.098 2.686 770 HA LYS 115 HA LYS 115 -10.053 -2.469 2.706 771 HB2 LYS 115 1HB LYS 115 -11.869 -1.580 4.212 772 HB3 LYS 115 2HB LYS 115 -12.997 -1.813 2.882 773 HG2 LYS 115 1HG LYS 115 -12.045 -4.258 2.924 774 HG3 LYS 115 2HG LYS 115 -11.624 -3.829 4.584 775 HD2 LYS 115 1HD LYS 115 -14.381 -3.591 3.377 776 HD3 LYS 115 2HD LYS 115 -13.835 -4.921 4.402 777 HE2 LYS 115 1HE LYS 115 -13.293 -3.166 6.148 778 HE3 LYS 115 2HE LYS 115 -14.182 -2.025 5.141 779 HZ1 LYS 115 1HZ LYS 115 -15.991 -2.715 6.196 780 HZ2 LYS 115 2HZ LYS 115 -15.178 -4.003 6.931 781 HZ3 LYS 115 3HZ LYS 115 -15.840 -4.193 5.386 782 H ALA 116 H ALA 116 -9.764 -3.864 1.109 783 HA ALA 116 HA ALA 116 -11.570 -3.742 -1.216 784 HB1 ALA 116 1HB ALA 116 -9.271 -5.251 -1.856 785 HB2 ALA 116 2HB ALA 116 -9.739 -3.663 -2.465 786 HB3 ALA 116 3HB ALA 116 -8.724 -3.792 -1.028 787 H ASP 117 H ASP 117 -13.123 -5.224 -0.881 788 HA ASP 117 HA ASP 117 -12.713 -7.670 0.512 789 HB2 ASP 117 1HB ASP 117 -14.916 -6.938 0.615 790 HB3 ASP 117 2HB ASP 117 -14.956 -6.495 -1.089 791 H ILE 118 H ILE 118 -11.507 -9.270 -0.260 792 HA ILE 118 HA ILE 118 -11.354 -9.717 -3.144 793 HB ILE 118 HB ILE 118 -9.751 -10.883 -0.867 794 HG12 ILE 118 1HG1 ILE 118 -9.319 -8.496 -1.471 795 HG13 ILE 118 2HG1 ILE 118 -7.932 -9.549 -1.725 796 HG21 ILE 118 1HG2 ILE 118 -9.956 -12.550 -2.593 797 HG22 ILE 118 2HG2 ILE 118 -9.533 -11.371 -3.833 798 HG23 ILE 118 3HG2 ILE 118 -8.332 -11.867 -2.642 799 HD11 ILE 118 1HD1 ILE 118 -7.884 -9.138 -3.914 800 HD12 ILE 118 2HD1 ILE 118 -9.636 -9.263 -4.074 801 HD13 ILE 118 3HD1 ILE 118 -8.906 -7.755 -3.523 802 H GLU 119 H GLU 119 -11.752 -11.741 -4.096 803 HA GLU 119 HA GLU 119 -13.264 -13.649 -2.443 804 HB2 GLU 119 1HB GLU 119 -13.990 -12.811 -5.255 805 HB3 GLU 119 2HB GLU 119 -14.848 -13.984 -4.266 806 HG2 GLU 119 1HG GLU 119 -14.500 -11.151 -3.366 807 HG3 GLU 119 2HG GLU 119 -15.803 -11.619 -4.456 808 H MET 120 H MET 120 -13.472 -15.812 -3.505 809 HA MET 120 HA MET 120 -10.888 -16.698 -4.351 810 HB2 MET 120 1HB MET 120 -13.509 -17.999 -3.770 811 HB3 MET 120 2HB MET 120 -12.321 -18.898 -4.704 812 HG2 MET 120 1HG MET 120 -10.697 -18.290 -2.797 813 HG3 MET 120 2HG MET 120 -12.159 -17.930 -1.882 814 HE1 MET 120 1HE MET 120 -9.806 -21.285 -2.089 815 HE2 MET 120 2HE MET 120 -9.842 -19.679 -1.362 816 HE3 MET 120 3HE MET 120 -10.586 -21.042 -0.525 817 HA PRO 121 HA PRO 121 -11.377 -16.321 -8.713 818 HB2 PRO 121 1HB PRO 121 -9.510 -18.129 -9.497 819 HB3 PRO 121 2HB PRO 121 -9.094 -16.545 -8.833 820 HG2 PRO 121 1HG PRO 121 -9.152 -19.212 -7.474 821 HG3 PRO 121 2HG PRO 121 -7.944 -17.920 -7.352 822 HD2 PRO 121 1HD PRO 121 -9.852 -18.313 -5.471 823 HD3 PRO 121 2HD PRO 121 -9.212 -16.703 -5.860 824 H PHE 122 H PHE 122 -11.729 -17.714 -10.670 825 HA PHE 122 HA PHE 122 -13.352 -20.065 -9.951 826 HB2 PHE 122 1HB PHE 122 -14.604 -19.604 -12.068 827 HB3 PHE 122 2HB PHE 122 -14.754 -18.331 -10.861 828 HD1 PHE 122 1HD PHE 122 -13.548 -16.202 -11.152 829 HD2 PHE 122 2HD PHE 122 -13.573 -19.204 -14.169 830 HE1 PHE 122 1HE PHE 122 -12.789 -14.544 -12.804 831 HE2 PHE 122 2HE PHE 122 -12.813 -17.551 -15.825 832 HZ PHE 122 HZ PHE 122 -12.419 -15.218 -15.143 833 H ASP 123 H ASP 123 -13.631 -21.557 -11.960 834 HA ASP 123 HA ASP 123 -11.159 -22.737 -12.507 835 HB2 ASP 123 1HB ASP 123 -12.559 -23.857 -14.427 836 HB3 ASP 123 2HB ASP 123 -12.922 -24.214 -12.740 837 HA PRO 124 HA PRO 124 -9.507 -20.315 -15.790 838 HB2 PRO 124 1HB PRO 124 -7.843 -22.160 -16.883 839 HB3 PRO 124 2HB PRO 124 -7.507 -21.354 -15.346 840 HG2 PRO 124 1HG PRO 124 -8.658 -24.072 -15.848 841 HG3 PRO 124 2HG PRO 124 -7.435 -23.576 -14.663 842 HD2 PRO 124 1HD PRO 124 -10.032 -23.965 -14.001 843 HD3 PRO 124 2HD PRO 124 -9.010 -22.759 -13.192 844 H SER 125 H SER 125 -10.248 -19.802 -17.752 845 HA SER 125 HA SER 125 -12.146 -21.393 -19.103 846 HB2 SER 125 1HB SER 125 -10.592 -18.950 -19.973 847 HB3 SER 125 2HB SER 125 -11.859 -19.690 -20.951 848 HG SER 125 HG SER 125 -13.166 -19.421 -18.921 849 H SER 126 H SER 126 -11.892 -21.875 -21.523 850 HA SER 126 HA SER 126 -9.366 -22.460 -22.620 851 HB2 SER 126 1HB SER 126 -9.179 -24.182 -20.942 852 HB3 SER 126 2HB SER 126 -10.797 -24.781 -21.307 853 HG SER 126 HG SER 126 -9.497 -26.108 -22.426 854 H GLY 127 H GLY 127 -9.776 -22.240 -24.711 855 HA2 GLY 127 1HA GLY 127 -12.031 -23.692 -25.884 856 HA3 GLY 127 2HA GLY 127 -11.985 -21.950 -26.105 857 HA PRO 128 HA PRO 128 -9.143 -24.430 -29.117 858 HB2 PRO 128 1HB PRO 128 -10.879 -25.103 -31.092 859 HB3 PRO 128 2HB PRO 128 -10.507 -26.172 -29.734 860 HG2 PRO 128 1HG PRO 128 -12.859 -24.362 -30.132 861 HG3 PRO 128 2HG PRO 128 -12.817 -26.024 -29.513 862 HD2 PRO 128 1HD PRO 128 -13.012 -23.867 -27.887 863 HD3 PRO 128 2HD PRO 128 -12.173 -25.355 -27.403 864 H SER 129 H SER 129 -11.107 -21.781 -28.952 865 HA SER 129 HA SER 129 -11.430 -20.626 -31.359 866 HB2 SER 129 1HB SER 129 -11.252 -18.497 -30.326 867 HB3 SER 129 2HB SER 129 -11.789 -19.589 -29.050 868 HG SER 129 HG SER 129 -9.617 -19.704 -28.345 869 H SER 130 H SER 130 -10.099 -20.907 -33.048 870 HA SER 130 HA SER 130 -7.374 -21.226 -33.076 871 HB2 SER 130 1HB SER 130 -9.076 -19.861 -35.175 872 HB3 SER 130 2HB SER 130 -7.444 -20.476 -35.436 873 HG SER 130 HG SER 130 -8.514 -22.532 -34.545 874 H GLY 131 H GLY 131 -5.897 -19.544 -34.349 875 HA2 GLY 131 1HA GLY 131 -6.164 -16.805 -34.006 876 HA3 GLY 131 2HA GLY 131 -5.441 -17.414 -32.525 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -2.640 8.835 -24.243 2 HA2 GLY 1 1HA GLY 1 -2.982 10.252 -22.214 3 HA3 GLY 1 2HA GLY 1 -4.487 9.922 -23.060 4 H SER 2 H SER 2 -4.369 10.584 -20.343 5 HA SER 2 HA SER 2 -4.226 8.783 -18.385 6 HB2 SER 2 1HB SER 2 -5.203 11.085 -18.182 7 HB3 SER 2 2HB SER 2 -6.725 10.439 -18.797 8 HG SER 2 HG SER 2 -6.270 8.832 -16.928 9 H SER 3 H SER 3 -4.555 6.653 -18.612 10 HA SER 3 HA SER 3 -7.276 5.718 -18.952 11 HB2 SER 3 1HB SER 3 -6.436 5.800 -21.272 12 HB3 SER 3 2HB SER 3 -5.082 4.769 -20.812 13 HG SER 3 HG SER 3 -7.619 4.083 -21.445 14 H GLY 4 H GLY 4 -7.663 4.043 -17.641 15 HA2 GLY 4 1HA GLY 4 -5.330 2.723 -16.410 16 HA3 GLY 4 2HA GLY 4 -6.899 2.913 -15.642 17 H SER 5 H SER 5 -8.635 1.574 -16.296 18 HA SER 5 HA SER 5 -7.884 -1.086 -16.876 19 HB2 SER 5 1HB SER 5 -10.509 0.344 -16.610 20 HB3 SER 5 2HB SER 5 -10.470 -1.317 -17.200 21 HG SER 5 HG SER 5 -10.658 -1.462 -15.016 22 H SER 6 H SER 6 -6.703 -0.831 -18.863 23 HA SER 6 HA SER 6 -8.358 -1.301 -21.168 24 HB2 SER 6 1HB SER 6 -8.126 1.247 -20.951 25 HB3 SER 6 2HB SER 6 -6.431 1.010 -21.376 26 HG SER 6 HG SER 6 -8.735 0.509 -22.923 27 H GLY 7 H GLY 7 -7.299 -2.433 -22.762 28 HA2 GLY 7 1HA GLY 7 -4.534 -3.214 -22.102 29 HA3 GLY 7 2HA GLY 7 -5.681 -4.211 -22.985 30 H ASP 8 H ASP 8 -3.545 -1.438 -23.173 31 HA ASP 8 HA ASP 8 -2.854 -1.963 -25.860 32 HB2 ASP 8 1HB ASP 8 -3.810 0.008 -26.947 33 HB3 ASP 8 2HB ASP 8 -5.085 -1.023 -26.303 34 H VAL 9 H VAL 9 -0.833 -1.277 -26.065 35 HA VAL 9 HA VAL 9 0.152 0.776 -24.222 36 HB VAL 9 HB VAL 9 1.696 -1.132 -25.985 37 HG11 VAL 9 1HG1 VAL 9 2.847 0.423 -23.704 38 HG12 VAL 9 2HG1 VAL 9 3.666 -0.311 -25.084 39 HG13 VAL 9 3HG1 VAL 9 2.710 1.155 -25.302 40 HG21 VAL 9 1HG2 VAL 9 0.512 -2.299 -24.214 41 HG22 VAL 9 2HG2 VAL 9 2.243 -2.279 -23.879 42 HG23 VAL 9 3HG2 VAL 9 1.165 -1.183 -23.015 43 H THR 10 H THR 10 0.391 2.786 -24.915 44 HA THR 10 HA THR 10 1.054 3.240 -27.748 45 HB THR 10 HB THR 10 -0.764 5.039 -26.142 46 HG1 THR 10 1HG THR 10 -1.521 2.775 -26.790 47 HG21 THR 10 1HG2 THR 10 -1.177 6.171 -28.172 48 HG22 THR 10 2HG2 THR 10 -0.425 4.895 -29.129 49 HG23 THR 10 3HG2 THR 10 0.570 5.941 -28.117 50 H TYR 11 H TYR 11 2.371 5.025 -28.198 51 HA TYR 11 HA TYR 11 3.898 5.983 -25.882 52 HB2 TYR 11 1HB TYR 11 5.724 6.352 -27.350 53 HB3 TYR 11 2HB TYR 11 5.045 4.797 -27.817 54 HD1 TYR 11 1HD TYR 11 5.524 8.291 -28.805 55 HD2 TYR 11 2HD TYR 11 3.897 4.527 -29.941 56 HE1 TYR 11 1HE TYR 11 5.299 9.093 -31.119 57 HE2 TYR 11 2HE TYR 11 3.669 5.318 -32.258 58 HH TYR 11 HH TYR 11 4.948 7.215 -33.690 59 H ASP 12 H ASP 12 3.288 7.894 -25.130 60 HA ASP 12 HA ASP 12 2.143 9.872 -26.961 61 HB2 ASP 12 1HB ASP 12 1.706 11.068 -24.681 62 HB3 ASP 12 2HB ASP 12 0.713 9.688 -25.141 63 H GLY 13 H GLY 13 4.128 10.489 -27.946 64 HA2 GLY 13 1HA GLY 13 6.035 11.870 -26.180 65 HA3 GLY 13 2HA GLY 13 6.377 11.315 -27.812 66 H HIS 14 H HIS 14 3.931 13.413 -26.280 67 HA HIS 14 HA HIS 14 3.653 15.099 -28.523 68 HB2 HIS 14 1HB HIS 14 2.551 16.665 -26.882 69 HB3 HIS 14 2HB HIS 14 1.882 15.036 -26.920 70 HD1 HIS 14 1HD HIS 14 4.138 17.212 -24.806 71 HD2 HIS 14 2HD HIS 14 1.917 13.713 -24.521 72 HE1 HIS 14 1HE HIS 14 4.196 16.575 -22.374 73 HE2 HIS 14 2HE HIS 14 2.917 14.410 -22.240 74 HA PRO 15 HA PRO 15 7.186 17.705 -28.258 75 HB2 PRO 15 1HB PRO 15 6.211 19.910 -29.504 76 HB3 PRO 15 2HB PRO 15 6.631 18.426 -30.367 77 HG2 PRO 15 1HG PRO 15 3.946 19.400 -29.470 78 HG3 PRO 15 2HG PRO 15 4.408 18.653 -31.011 79 HD2 PRO 15 1HD PRO 15 3.185 17.269 -29.030 80 HD3 PRO 15 2HD PRO 15 4.352 16.520 -30.139 81 H VAL 16 H VAL 16 7.569 18.251 -26.152 82 HA VAL 16 HA VAL 16 5.910 19.723 -24.465 83 HB VAL 16 HB VAL 16 7.863 20.103 -23.065 84 HG11 VAL 16 1HG1 VAL 16 6.773 17.725 -23.587 85 HG12 VAL 16 2HG1 VAL 16 8.430 17.383 -24.088 86 HG13 VAL 16 3HG1 VAL 16 8.099 17.933 -22.445 87 HG21 VAL 16 1HG2 VAL 16 9.331 19.439 -25.578 88 HG22 VAL 16 2HG2 VAL 16 9.621 20.734 -24.417 89 HG23 VAL 16 3HG2 VAL 16 10.069 19.076 -24.018 90 HA PRO 17 HA PRO 17 6.194 23.864 -25.932 91 HB2 PRO 17 1HB PRO 17 5.596 25.178 -23.632 92 HB3 PRO 17 2HB PRO 17 4.388 24.306 -24.582 93 HG2 PRO 17 1HG PRO 17 5.849 23.436 -22.119 94 HG3 PRO 17 2HG PRO 17 4.135 23.242 -22.530 95 HD2 PRO 17 1HD PRO 17 5.933 21.236 -22.797 96 HD3 PRO 17 2HD PRO 17 4.535 21.415 -23.877 97 H GLY 18 H GLY 18 8.353 22.497 -23.737 98 HA2 GLY 18 1HA GLY 18 10.364 24.453 -24.320 99 HA3 GLY 18 2HA GLY 18 9.813 24.553 -22.655 100 H SER 19 H SER 19 10.036 22.647 -21.308 101 HA SER 19 HA SER 19 11.516 20.380 -22.141 102 HB2 SER 19 1HB SER 19 13.652 20.790 -21.164 103 HB3 SER 19 2HB SER 19 13.292 22.199 -22.161 104 HG SER 19 HG SER 19 14.100 22.612 -19.966 105 HA PRO 20 HA PRO 20 9.822 18.843 -18.392 106 HB2 PRO 20 1HB PRO 20 11.503 16.769 -17.899 107 HB3 PRO 20 2HB PRO 20 10.298 16.743 -19.191 108 HG2 PRO 20 1HG PRO 20 13.230 17.323 -19.348 109 HG3 PRO 20 2HG PRO 20 12.226 16.337 -20.427 110 HD2 PRO 20 1HD PRO 20 12.958 18.873 -21.031 111 HD3 PRO 20 2HD PRO 20 11.412 18.175 -21.554 112 H TYR 21 H TYR 21 12.787 20.383 -18.526 113 HA TYR 21 HA TYR 21 13.481 19.931 -15.734 114 HB2 TYR 21 1HB TYR 21 15.098 20.217 -17.813 115 HB3 TYR 21 2HB TYR 21 14.910 21.926 -17.436 116 HD1 TYR 21 2HD TYR 21 15.549 18.732 -15.589 117 HD2 TYR 21 1HD TYR 21 16.525 22.844 -16.080 118 HE1 TYR 21 2HE TYR 21 17.263 18.528 -13.838 119 HE2 TYR 21 1HE TYR 21 18.243 22.651 -14.331 120 HH TYR 21 HH TYR 21 19.214 21.326 -12.841 121 H THR 22 H THR 22 10.988 21.199 -16.216 122 HA THR 22 HA THR 22 11.097 24.004 -16.021 123 HB THR 22 HB THR 22 8.784 23.863 -15.158 124 HG1 THR 22 1HG THR 22 7.910 21.940 -14.597 125 HG21 THR 22 1HG2 THR 22 9.711 23.122 -17.660 126 HG22 THR 22 2HG2 THR 22 8.047 23.530 -17.244 127 HG23 THR 22 3HG2 THR 22 8.569 21.846 -17.240 128 H VAL 23 H VAL 23 10.906 25.390 -14.246 129 HA VAL 23 HA VAL 23 12.211 24.444 -11.852 130 HB VAL 23 HB VAL 23 11.824 26.884 -11.122 131 HG11 VAL 23 1HG1 VAL 23 14.000 26.341 -11.710 132 HG12 VAL 23 2HG1 VAL 23 13.565 25.977 -13.381 133 HG13 VAL 23 3HG1 VAL 23 13.614 27.650 -12.826 134 HG21 VAL 23 1HG2 VAL 23 10.183 26.896 -13.346 135 HG22 VAL 23 2HG2 VAL 23 10.751 28.312 -12.461 136 HG23 VAL 23 3HG2 VAL 23 11.628 27.752 -13.885 137 H GLU 24 H GLU 24 9.166 24.107 -12.818 138 HA GLU 24 HA GLU 24 7.760 25.023 -10.472 139 HB2 GLU 24 1HB GLU 24 6.926 23.366 -12.852 140 HB3 GLU 24 2HB GLU 24 5.840 23.742 -11.523 141 HG2 GLU 24 1HG GLU 24 7.227 25.793 -13.231 142 HG3 GLU 24 2HG GLU 24 5.573 25.232 -13.471 143 H ALA 25 H ALA 25 9.802 23.426 -9.636 144 HA ALA 25 HA ALA 25 8.469 20.911 -8.870 145 HB1 ALA 25 1HB ALA 25 11.357 21.564 -9.330 146 HB2 ALA 25 2HB ALA 25 10.879 20.185 -8.340 147 HB3 ALA 25 3HB ALA 25 10.383 20.271 -10.030 148 H SER 26 H SER 26 8.759 23.830 -7.700 149 HA SER 26 HA SER 26 9.568 23.012 -4.992 150 HB2 SER 26 1HB SER 26 10.587 25.071 -6.314 151 HB3 SER 26 2HB SER 26 9.143 25.882 -5.708 152 HG SER 26 HG SER 26 9.892 24.868 -3.598 153 H LEU 27 H LEU 27 7.143 22.088 -5.641 154 HA LEU 27 HA LEU 27 5.222 23.987 -4.474 155 HB2 LEU 27 1HB LEU 27 4.868 21.614 -6.281 156 HB3 LEU 27 2HB LEU 27 3.519 22.335 -5.405 157 HG LEU 27 HG LEU 27 5.237 23.766 -7.432 158 HD11 LEU 27 1HD1 LEU 27 3.284 21.865 -7.903 159 HD12 LEU 27 2HD1 LEU 27 3.870 23.074 -9.044 160 HD13 LEU 27 3HD1 LEU 27 2.435 23.402 -8.073 161 HD21 LEU 27 1HD2 LEU 27 4.423 25.583 -6.424 162 HD22 LEU 27 2HD2 LEU 27 3.264 24.648 -5.479 163 HD23 LEU 27 3HD2 LEU 27 2.871 25.133 -7.129 164 HA PRO 28 HA PRO 28 5.002 21.553 -0.814 165 HB2 PRO 28 1HB PRO 28 2.531 22.282 0.043 166 HB3 PRO 28 2HB PRO 28 3.935 23.352 0.138 167 HG2 PRO 28 1HG PRO 28 1.735 23.289 -1.892 168 HG3 PRO 28 2HG PRO 28 2.492 24.686 -1.105 169 HD2 PRO 28 1HD PRO 28 3.141 23.899 -3.613 170 HD3 PRO 28 2HD PRO 28 4.314 24.653 -2.515 171 HA PRO 29 HA PRO 29 2.891 17.820 -1.851 172 HB2 PRO 29 1HB PRO 29 2.774 16.688 0.613 173 HB3 PRO 29 2HB PRO 29 4.268 16.793 -0.326 174 HG2 PRO 29 1HG PRO 29 3.310 18.537 1.911 175 HG3 PRO 29 2HG PRO 29 4.933 17.885 1.617 176 HD2 PRO 29 1HD PRO 29 4.252 20.432 1.000 177 HD3 PRO 29 2HD PRO 29 5.438 19.506 0.058 178 H ASP 30 H ASP 30 0.802 17.842 -2.392 179 HA ASP 30 HA ASP 30 -1.177 18.610 -0.351 180 HB2 ASP 30 1HB ASP 30 -1.128 18.905 -3.335 181 HB3 ASP 30 2HB ASP 30 -2.670 18.830 -2.488 182 HA PRO 31 HA PRO 31 -1.919 14.141 -0.655 183 HB2 PRO 31 1HB PRO 31 -3.165 13.977 1.751 184 HB3 PRO 31 2HB PRO 31 -1.406 13.980 1.579 185 HG2 PRO 31 1HG PRO 31 -3.244 16.232 2.297 186 HG3 PRO 31 2HG PRO 31 -1.678 15.797 3.005 187 HD2 PRO 31 1HD PRO 31 -1.954 17.796 1.200 188 HD3 PRO 31 2HD PRO 31 -0.488 16.801 1.306 189 H SER 32 H SER 32 -4.153 16.738 0.174 190 HA SER 32 HA SER 32 -6.566 15.367 0.011 191 HB2 SER 32 1HB SER 32 -6.093 17.821 0.692 192 HB3 SER 32 2HB SER 32 -6.266 18.176 -1.027 193 HG SER 32 HG SER 32 -8.303 18.317 -0.447 194 H LYS 33 H LYS 33 -4.505 16.643 -2.524 195 HA LYS 33 HA LYS 33 -6.406 16.197 -4.628 196 HB2 LYS 33 1HB LYS 33 -3.424 16.686 -4.759 197 HB3 LYS 33 2HB LYS 33 -4.524 16.722 -6.131 198 HG2 LYS 33 1HG LYS 33 -4.808 18.541 -3.755 199 HG3 LYS 33 2HG LYS 33 -3.864 18.956 -5.188 200 HD2 LYS 33 1HD LYS 33 -5.789 18.882 -6.580 201 HD3 LYS 33 2HD LYS 33 -6.762 18.144 -5.306 202 HE2 LYS 33 1HE LYS 33 -6.430 20.227 -3.963 203 HE3 LYS 33 2HE LYS 33 -5.656 20.947 -5.374 204 HZ1 LYS 33 1HZ LYS 33 -7.915 20.105 -6.463 205 HZ2 LYS 33 2HZ LYS 33 -7.753 21.636 -5.763 206 HZ3 LYS 33 3HZ LYS 33 -8.468 20.378 -4.887 207 H VAL 34 H VAL 34 -4.224 14.243 -2.892 208 HA VAL 34 HA VAL 34 -3.718 12.314 -4.956 209 HB VAL 34 HB VAL 34 -3.350 12.172 -1.963 210 HG11 VAL 34 1HG1 VAL 34 -2.657 10.190 -4.118 211 HG12 VAL 34 2HG1 VAL 34 -1.903 10.182 -2.523 212 HG13 VAL 34 3HG1 VAL 34 -3.643 9.932 -2.679 213 HG21 VAL 34 1HG2 VAL 34 -1.685 13.045 -4.240 214 HG22 VAL 34 2HG2 VAL 34 -1.681 13.580 -2.559 215 HG23 VAL 34 3HG2 VAL 34 -0.878 12.075 -3.007 216 H LYS 35 H LYS 35 -5.565 11.454 -5.782 217 HA LYS 35 HA LYS 35 -7.337 10.051 -3.890 218 HB2 LYS 35 1HB LYS 35 -7.924 11.637 -6.349 219 HB3 LYS 35 2HB LYS 35 -8.953 10.258 -5.983 220 HG2 LYS 35 1HG LYS 35 -10.113 11.879 -4.901 221 HG3 LYS 35 2HG LYS 35 -9.020 11.405 -3.599 222 HD2 LYS 35 1HD LYS 35 -8.751 13.678 -3.540 223 HD3 LYS 35 2HD LYS 35 -7.478 13.249 -4.686 224 HE2 LYS 35 1HE LYS 35 -10.203 13.812 -5.740 225 HE3 LYS 35 2HE LYS 35 -9.220 15.171 -5.196 226 HZ1 LYS 35 1HZ LYS 35 -8.984 13.600 -7.570 227 HZ2 LYS 35 2HZ LYS 35 -7.523 13.674 -6.723 228 HZ3 LYS 35 3HZ LYS 35 -8.296 15.101 -7.201 229 H ALA 36 H ALA 36 -7.618 7.917 -4.160 230 HA ALA 36 HA ALA 36 -6.354 6.673 -6.510 231 HB1 ALA 36 1HB ALA 36 -6.765 5.664 -3.707 232 HB2 ALA 36 2HB ALA 36 -6.297 4.612 -5.044 233 HB3 ALA 36 3HB ALA 36 -5.245 5.942 -4.558 234 H HIS 37 H HIS 37 -7.676 5.847 -7.978 235 HA HIS 37 HA HIS 37 -10.231 4.689 -7.102 236 HB2 HIS 37 1HB HIS 37 -11.202 5.619 -9.280 237 HB3 HIS 37 2HB HIS 37 -10.933 6.766 -7.971 238 HD1 HIS 37 1HD HIS 37 -9.923 5.976 -11.437 239 HD2 HIS 37 2HD HIS 37 -8.739 8.544 -8.393 240 HE1 HIS 37 1HE HIS 37 -8.431 7.676 -12.534 241 HE2 HIS 37 2HE HIS 37 -7.658 9.168 -10.658 242 H GLY 38 H GLY 38 -10.661 2.736 -7.942 243 HA2 GLY 38 1HA GLY 38 -10.256 1.732 -10.425 244 HA3 GLY 38 2HA GLY 38 -8.689 1.513 -9.660 245 HA PRO 39 HA PRO 39 -11.494 -2.139 -8.763 246 HB2 PRO 39 1HB PRO 39 -9.865 -4.022 -9.844 247 HB3 PRO 39 2HB PRO 39 -11.093 -3.162 -10.780 248 HG2 PRO 39 1HG PRO 39 -8.148 -2.655 -10.601 249 HG3 PRO 39 2HG PRO 39 -9.199 -2.651 -12.029 250 HD2 PRO 39 1HD PRO 39 -8.404 -0.374 -10.797 251 HD3 PRO 39 2HD PRO 39 -9.979 -0.524 -11.603 252 H GLY 40 H GLY 40 -7.918 -2.192 -8.769 253 HA2 GLY 40 1HA GLY 40 -7.364 -3.993 -6.831 254 HA3 GLY 40 2HA GLY 40 -6.457 -2.498 -7.001 255 H LEU 41 H LEU 41 -8.883 -0.900 -6.335 256 HA LEU 41 HA LEU 41 -8.497 -0.907 -3.481 257 HB2 LEU 41 1HB LEU 41 -10.426 0.754 -5.088 258 HB3 LEU 41 2HB LEU 41 -9.830 1.082 -3.462 259 HG LEU 41 HG LEU 41 -8.095 1.091 -5.928 260 HD11 LEU 41 1HD1 LEU 41 -8.160 3.562 -5.670 261 HD12 LEU 41 2HD1 LEU 41 -9.462 3.362 -4.498 262 HD13 LEU 41 3HD1 LEU 41 -9.696 2.854 -6.170 263 HD21 LEU 41 1HD2 LEU 41 -7.666 1.869 -3.056 264 HD22 LEU 41 2HD2 LEU 41 -6.622 2.432 -4.361 265 HD23 LEU 41 3HD2 LEU 41 -6.759 0.706 -4.023 266 H GLU 42 H GLU 42 -11.247 -1.423 -5.677 267 HA GLU 42 HA GLU 42 -13.136 -1.991 -3.662 268 HB2 GLU 42 1HB GLU 42 -13.097 -2.911 -6.543 269 HB3 GLU 42 2HB GLU 42 -14.494 -2.948 -5.475 270 HG2 GLU 42 1HG GLU 42 -13.042 -0.491 -6.430 271 HG3 GLU 42 2HG GLU 42 -14.619 -1.059 -6.976 272 H GLY 43 H GLY 43 -10.955 -4.052 -5.533 273 HA2 GLY 43 1HA GLY 43 -10.345 -5.954 -3.762 274 HA3 GLY 43 2HA GLY 43 -11.964 -6.450 -4.231 275 H GLY 44 H GLY 44 -10.933 -8.420 -4.981 276 HA2 GLY 44 1HA GLY 44 -10.542 -8.427 -7.772 277 HA3 GLY 44 2HA GLY 44 -8.976 -8.520 -6.979 278 H LEU 45 H LEU 45 -8.290 -10.552 -7.110 279 HA LEU 45 HA LEU 45 -10.011 -12.665 -6.060 280 HB2 LEU 45 1HB LEU 45 -8.631 -12.769 -8.736 281 HB3 LEU 45 2HB LEU 45 -9.342 -14.165 -7.928 282 HG LEU 45 HG LEU 45 -10.980 -11.749 -8.640 283 HD11 LEU 45 1HD1 LEU 45 -11.671 -13.380 -10.588 284 HD12 LEU 45 2HD1 LEU 45 -10.015 -13.952 -10.389 285 HD13 LEU 45 3HD1 LEU 45 -10.323 -12.257 -10.767 286 HD21 LEU 45 1HD2 LEU 45 -12.107 -14.458 -8.679 287 HD22 LEU 45 2HD2 LEU 45 -12.750 -12.967 -7.988 288 HD23 LEU 45 3HD2 LEU 45 -11.552 -13.909 -7.097 289 H VAL 46 H VAL 46 -8.878 -14.501 -5.290 290 HA VAL 46 HA VAL 46 -6.411 -13.946 -4.068 291 HB VAL 46 HB VAL 46 -7.693 -16.638 -4.558 292 HG11 VAL 46 1HG1 VAL 46 -5.330 -15.761 -2.964 293 HG12 VAL 46 2HG1 VAL 46 -6.330 -17.087 -2.366 294 HG13 VAL 46 3HG1 VAL 46 -5.553 -17.210 -3.945 295 HG21 VAL 46 1HG2 VAL 46 -7.806 -15.452 -1.883 296 HG22 VAL 46 2HG2 VAL 46 -8.718 -14.568 -3.106 297 HG23 VAL 46 3HG2 VAL 46 -9.058 -16.274 -2.814 298 H GLY 47 H GLY 47 -4.320 -14.602 -4.501 299 HA2 GLY 47 1HA GLY 47 -2.507 -15.089 -5.822 300 HA3 GLY 47 2HA GLY 47 -3.494 -16.391 -6.468 301 H LYS 48 H LYS 48 -4.723 -13.208 -6.828 302 HA LYS 48 HA LYS 48 -3.843 -13.183 -9.641 303 HB2 LYS 48 1HB LYS 48 -6.520 -12.531 -8.433 304 HB3 LYS 48 2HB LYS 48 -6.050 -11.901 -10.006 305 HG2 LYS 48 1HG LYS 48 -5.790 -14.821 -9.535 306 HG3 LYS 48 2HG LYS 48 -7.406 -14.146 -9.756 307 HD2 LYS 48 1HD LYS 48 -6.720 -13.171 -11.883 308 HD3 LYS 48 2HD LYS 48 -5.087 -13.801 -11.657 309 HE2 LYS 48 1HE LYS 48 -6.192 -15.298 -13.124 310 HE3 LYS 48 2HE LYS 48 -6.109 -16.100 -11.556 311 HZ1 LYS 48 1HZ LYS 48 -8.447 -14.924 -12.909 312 HZ2 LYS 48 2HZ LYS 48 -8.438 -15.093 -11.226 313 HZ3 LYS 48 3HZ LYS 48 -8.278 -16.457 -12.215 314 HA PRO 49 HA PRO 49 -2.158 -9.192 -8.879 315 HB2 PRO 49 1HB PRO 49 -2.233 -8.181 -11.397 316 HB3 PRO 49 2HB PRO 49 -1.079 -9.421 -10.894 317 HG2 PRO 49 1HG PRO 49 -3.655 -9.726 -12.388 318 HG3 PRO 49 2HG PRO 49 -2.092 -10.512 -12.680 319 HD2 PRO 49 1HD PRO 49 -4.130 -11.752 -11.399 320 HD3 PRO 49 2HD PRO 49 -2.426 -12.075 -11.020 321 H ALA 50 H ALA 50 -3.030 -7.399 -8.059 322 HA ALA 50 HA ALA 50 -5.430 -6.266 -9.314 323 HB1 ALA 50 1HB ALA 50 -5.268 -7.474 -6.685 324 HB2 ALA 50 2HB ALA 50 -5.820 -5.800 -6.614 325 HB3 ALA 50 3HB ALA 50 -6.681 -6.971 -7.613 326 H GLU 51 H GLU 51 -5.099 -4.203 -9.789 327 HA GLU 51 HA GLU 51 -3.455 -2.571 -7.984 328 HB2 GLU 51 1HB GLU 51 -2.538 -1.434 -10.069 329 HB3 GLU 51 2HB GLU 51 -1.920 -3.041 -9.712 330 HG2 GLU 51 1HG GLU 51 -2.311 -3.289 -11.927 331 HG3 GLU 51 2HG GLU 51 -3.894 -3.764 -11.312 332 H PHE 52 H PHE 52 -3.626 -0.159 -8.802 333 HA PHE 52 HA PHE 52 -6.288 0.461 -9.808 334 HB2 PHE 52 1HB PHE 52 -6.618 2.078 -7.870 335 HB3 PHE 52 2HB PHE 52 -6.800 0.368 -7.494 336 HD1 PHE 52 1HD PHE 52 -4.743 -0.833 -6.521 337 HD2 PHE 52 2HD PHE 52 -5.185 3.400 -6.623 338 HE1 PHE 52 1HE PHE 52 -3.069 -0.618 -4.731 339 HE2 PHE 52 2HE PHE 52 -3.511 3.621 -4.834 340 HZ PHE 52 HZ PHE 52 -2.450 1.611 -3.886 341 H THR 53 H THR 53 -6.528 2.990 -9.795 342 HA THR 53 HA THR 53 -4.022 4.061 -10.906 343 HB THR 53 HB THR 53 -6.806 5.096 -11.447 344 HG1 THR 53 1HG THR 53 -6.283 2.834 -12.164 345 HG21 THR 53 1HG2 THR 53 -4.887 5.502 -13.537 346 HG22 THR 53 2HG2 THR 53 -4.235 6.105 -12.013 347 HG23 THR 53 3HG2 THR 53 -5.785 6.700 -12.607 348 H ILE 54 H ILE 54 -3.010 5.526 -9.716 349 HA ILE 54 HA ILE 54 -4.539 7.037 -7.715 350 HB ILE 54 HB ILE 54 -1.564 6.570 -7.933 351 HG12 ILE 54 1HG1 ILE 54 -3.597 5.540 -5.942 352 HG13 ILE 54 2HG1 ILE 54 -2.867 4.594 -7.234 353 HG21 ILE 54 1HG2 ILE 54 -2.829 8.716 -6.753 354 HG22 ILE 54 2HG2 ILE 54 -2.569 7.603 -5.410 355 HG23 ILE 54 3HG2 ILE 54 -1.203 8.139 -6.389 356 HD11 ILE 54 1HD1 ILE 54 -1.952 4.886 -4.625 357 HD12 ILE 54 2HD1 ILE 54 -1.110 4.127 -5.976 358 HD13 ILE 54 3HD1 ILE 54 -0.841 5.832 -5.615 359 H ASP 55 H ASP 55 -4.772 9.185 -7.848 360 HA ASP 55 HA ASP 55 -3.494 10.553 -10.108 361 HB2 ASP 55 1HB ASP 55 -6.056 10.930 -8.626 362 HB3 ASP 55 2HB ASP 55 -5.302 12.345 -9.355 363 H THR 56 H THR 56 -1.734 11.678 -9.640 364 HA THR 56 HA THR 56 -1.641 13.149 -7.089 365 HB THR 56 HB THR 56 0.824 12.819 -7.079 366 HG1 THR 56 1HG THR 56 1.390 10.854 -8.473 367 HG21 THR 56 1HG2 THR 56 0.785 10.547 -6.250 368 HG22 THR 56 2HG2 THR 56 -0.722 10.224 -7.108 369 HG23 THR 56 3HG2 THR 56 -0.698 11.366 -5.764 370 H LYS 57 H LYS 57 -2.302 13.798 -10.012 371 HA LYS 57 HA LYS 57 -0.246 15.552 -10.918 372 HB2 LYS 57 1HB LYS 57 -1.866 16.277 -12.587 373 HB3 LYS 57 2HB LYS 57 -1.872 14.524 -12.452 374 HG2 LYS 57 1HG LYS 57 -3.843 14.904 -10.815 375 HG3 LYS 57 2HG LYS 57 -3.939 16.493 -11.577 376 HD2 LYS 57 1HD LYS 57 -5.429 15.095 -12.772 377 HD3 LYS 57 2HD LYS 57 -4.004 15.283 -13.797 378 HE2 LYS 57 1HE LYS 57 -4.087 12.985 -11.913 379 HE3 LYS 57 2HE LYS 57 -5.109 12.917 -13.348 380 HZ1 LYS 57 1HZ LYS 57 -2.766 13.716 -14.378 381 HZ2 LYS 57 2HZ LYS 57 -3.273 12.104 -14.307 382 HZ3 LYS 57 3HZ LYS 57 -2.235 12.717 -13.120 383 H GLY 58 H GLY 58 0.273 17.435 -10.031 384 HA2 GLY 58 1HA GLY 58 -0.197 19.682 -9.460 385 HA3 GLY 58 2HA GLY 58 -1.866 19.227 -9.146 386 H ALA 59 H ALA 59 -0.903 16.869 -7.553 387 HA ALA 59 HA ALA 59 -1.196 17.821 -5.011 388 HB1 ALA 59 1HB ALA 59 0.595 15.698 -4.723 389 HB2 ALA 59 2HB ALA 59 -1.167 15.623 -4.696 390 HB3 ALA 59 3HB ALA 59 -0.296 15.362 -6.207 391 H GLY 60 H GLY 60 1.912 17.250 -6.666 392 HA2 GLY 60 1HA GLY 60 3.462 19.253 -6.260 393 HA3 GLY 60 2HA GLY 60 3.227 18.847 -4.567 394 H THR 61 H THR 61 5.045 17.982 -3.824 395 HA THR 61 HA THR 61 6.114 15.619 -5.143 396 HB THR 61 HB THR 61 7.916 17.955 -4.483 397 HG1 THR 61 1HG THR 61 6.662 17.122 -6.847 398 HG21 THR 61 1HG2 THR 61 8.379 15.136 -5.051 399 HG22 THR 61 2HG2 THR 61 9.480 16.354 -4.407 400 HG23 THR 61 3HG2 THR 61 9.253 16.204 -6.149 401 H GLY 62 H GLY 62 6.750 14.123 -3.705 402 HA2 GLY 62 1HA GLY 62 8.002 14.627 -1.245 403 HA3 GLY 62 2HA GLY 62 6.278 14.457 -0.953 404 H GLY 63 H GLY 63 6.695 12.580 0.303 405 HA2 GLY 63 1HA GLY 63 7.406 10.221 -1.330 406 HA3 GLY 63 2HA GLY 63 7.819 10.371 0.371 407 H LEU 64 H LEU 64 5.773 8.887 -1.690 408 HA LEU 64 HA LEU 64 3.447 8.964 0.080 409 HB2 LEU 64 1HB LEU 64 3.146 9.204 -2.365 410 HB3 LEU 64 2HB LEU 64 3.798 7.580 -2.575 411 HG LEU 64 HG LEU 64 1.826 6.886 -1.015 412 HD11 LEU 64 1HD1 LEU 64 -0.087 8.267 -1.059 413 HD12 LEU 64 2HD1 LEU 64 0.645 9.374 -2.221 414 HD13 LEU 64 3HD1 LEU 64 1.252 9.305 -0.567 415 HD21 LEU 64 1HD2 LEU 64 2.258 6.572 -3.586 416 HD22 LEU 64 2HD2 LEU 64 0.935 7.729 -3.730 417 HD23 LEU 64 3HD2 LEU 64 0.684 6.203 -2.881 418 H GLY 65 H GLY 65 2.863 7.319 1.378 419 HA2 GLY 65 1HA GLY 65 4.558 4.902 1.306 420 HA3 GLY 65 2HA GLY 65 3.831 5.563 2.764 421 H LEU 66 H LEU 66 3.639 3.041 0.780 422 HA LEU 66 HA LEU 66 0.723 2.779 1.115 423 HB2 LEU 66 1HB LEU 66 1.666 2.948 -1.262 424 HB3 LEU 66 2HB LEU 66 2.314 1.333 -0.980 425 HG LEU 66 HG LEU 66 -0.190 0.785 -0.387 426 HD11 LEU 66 1HD1 LEU 66 -1.687 2.075 -1.938 427 HD12 LEU 66 2HD1 LEU 66 -0.386 3.254 -2.096 428 HD13 LEU 66 3HD1 LEU 66 -1.124 2.962 -0.521 429 HD21 LEU 66 1HD2 LEU 66 0.076 -0.459 -2.203 430 HD22 LEU 66 2HD2 LEU 66 1.454 0.538 -2.671 431 HD23 LEU 66 3HD2 LEU 66 -0.166 0.952 -3.233 432 H THR 67 H THR 67 0.231 1.350 2.629 433 HA THR 67 HA THR 67 1.849 -1.096 2.848 434 HB THR 67 HB THR 67 1.386 -0.992 5.357 435 HG1 THR 67 1HG THR 67 0.914 1.035 6.195 436 HG21 THR 67 1HG2 THR 67 3.454 0.105 3.782 437 HG22 THR 67 2HG2 THR 67 3.540 -0.437 5.459 438 HG23 THR 67 3HG2 THR 67 3.154 1.244 5.094 439 H VAL 68 H VAL 68 0.677 -2.897 2.764 440 HA VAL 68 HA VAL 68 -2.218 -2.712 2.764 441 HB VAL 68 HB VAL 68 -0.375 -5.046 2.237 442 HG11 VAL 68 1HG1 VAL 68 -2.454 -5.883 3.124 443 HG12 VAL 68 2HG1 VAL 68 -3.378 -4.856 2.026 444 HG13 VAL 68 3HG1 VAL 68 -2.405 -6.182 1.387 445 HG21 VAL 68 1HG2 VAL 68 -0.538 -3.053 0.610 446 HG22 VAL 68 2HG2 VAL 68 -0.722 -4.684 -0.037 447 HG23 VAL 68 3HG2 VAL 68 -2.145 -3.680 0.242 448 H GLU 69 H GLU 69 -3.060 -2.566 4.769 449 HA GLU 69 HA GLU 69 -2.015 -4.216 6.924 450 HB2 GLU 69 1HB GLU 69 -4.120 -2.059 6.819 451 HB3 GLU 69 2HB GLU 69 -3.800 -3.004 8.267 452 HG2 GLU 69 1HG GLU 69 -1.700 -1.395 6.841 453 HG3 GLU 69 2HG GLU 69 -2.679 -0.770 8.166 454 H GLY 70 H GLY 70 -2.741 -6.136 5.545 455 HA2 GLY 70 1HA GLY 70 -5.599 -6.714 5.973 456 HA3 GLY 70 2HA GLY 70 -4.569 -7.515 4.795 457 HA PRO 71 HA PRO 71 -4.987 -10.114 8.682 458 HB2 PRO 71 1HB PRO 71 -6.049 -12.293 7.459 459 HB3 PRO 71 2HB PRO 71 -7.036 -10.973 8.098 460 HG2 PRO 71 1HG PRO 71 -6.163 -11.493 5.282 461 HG3 PRO 71 2HG PRO 71 -7.749 -10.978 5.885 462 HD2 PRO 71 1HD PRO 71 -5.971 -9.249 4.798 463 HD3 PRO 71 2HD PRO 71 -7.097 -8.776 6.087 464 H CYS 72 H CYS 72 -3.419 -10.171 5.690 465 HA CYS 72 HA CYS 72 -1.402 -11.988 6.726 466 HB2 CYS 72 1HB CYS 72 -2.838 -13.523 5.523 467 HB3 CYS 72 2HB CYS 72 -2.841 -12.472 4.112 468 HG CYS 72 HG CYS 72 -0.517 -14.679 5.134 469 H GLU 73 H GLU 73 0.583 -11.966 5.401 470 HA GLU 73 HA GLU 73 1.112 -9.271 4.486 471 HB2 GLU 73 1HB GLU 73 2.707 -10.454 5.958 472 HB3 GLU 73 2HB GLU 73 2.968 -11.648 4.695 473 HG2 GLU 73 1HG GLU 73 3.717 -9.728 3.227 474 HG3 GLU 73 2HG GLU 73 3.734 -8.748 4.692 475 H ALA 74 H ALA 74 0.431 -8.829 2.479 476 HA ALA 74 HA ALA 74 0.914 -10.806 0.357 477 HB1 ALA 74 1HB ALA 74 -0.910 -10.017 -0.765 478 HB2 ALA 74 2HB ALA 74 -1.403 -9.654 0.889 479 HB3 ALA 74 3HB ALA 74 -0.733 -8.381 -0.130 480 H LYS 75 H LYS 75 2.211 -10.366 -1.348 481 HA LYS 75 HA LYS 75 4.195 -8.403 -1.137 482 HB2 LYS 75 1HB LYS 75 4.018 -10.621 -2.573 483 HB3 LYS 75 2HB LYS 75 3.473 -9.504 -3.817 484 HG2 LYS 75 1HG LYS 75 5.549 -8.205 -3.512 485 HG3 LYS 75 2HG LYS 75 6.099 -9.411 -2.347 486 HD2 LYS 75 1HD LYS 75 5.310 -10.118 -5.164 487 HD3 LYS 75 2HD LYS 75 6.956 -9.653 -4.726 488 HE2 LYS 75 1HE LYS 75 5.625 -11.775 -3.126 489 HE3 LYS 75 2HE LYS 75 6.169 -12.184 -4.752 490 HZ1 LYS 75 1HZ LYS 75 7.997 -10.827 -2.885 491 HZ2 LYS 75 2HZ LYS 75 8.363 -11.821 -4.203 492 HZ3 LYS 75 3HZ LYS 75 7.766 -12.499 -2.773 493 H ILE 76 H ILE 76 4.585 -6.505 -2.332 494 HA ILE 76 HA ILE 76 2.282 -5.366 -3.752 495 HB ILE 76 HB ILE 76 3.901 -3.844 -1.707 496 HG12 ILE 76 1HG1 ILE 76 1.006 -4.685 -1.512 497 HG13 ILE 76 2HG1 ILE 76 2.323 -5.600 -0.785 498 HG21 ILE 76 1HG2 ILE 76 2.159 -3.034 -3.847 499 HG22 ILE 76 2HG2 ILE 76 1.505 -2.526 -2.291 500 HG23 ILE 76 3HG2 ILE 76 3.135 -2.045 -2.761 501 HD11 ILE 76 1HD1 ILE 76 1.366 -4.243 0.905 502 HD12 ILE 76 2HD1 ILE 76 2.928 -3.537 0.489 503 HD13 ILE 76 3HD1 ILE 76 1.441 -2.808 -0.117 504 H GLU 77 H GLU 77 2.851 -4.625 -5.682 505 HA GLU 77 HA GLU 77 5.668 -3.883 -6.122 506 HB2 GLU 77 1HB GLU 77 3.690 -5.347 -7.806 507 HB3 GLU 77 2HB GLU 77 4.884 -4.341 -8.614 508 HG2 GLU 77 1HG GLU 77 6.646 -5.590 -7.326 509 HG3 GLU 77 2HG GLU 77 5.374 -6.702 -6.824 510 H CYS 78 H CYS 78 5.772 -1.724 -6.000 511 HA CYS 78 HA CYS 78 3.664 -0.124 -7.262 512 HB2 CYS 78 1HB CYS 78 4.591 1.766 -5.995 513 HB3 CYS 78 2HB CYS 78 4.175 0.426 -4.933 514 HG CYS 78 HG CYS 78 6.416 0.883 -3.706 515 H SER 79 H SER 79 4.012 0.573 -9.254 516 HA SER 79 HA SER 79 6.735 1.366 -10.023 517 HB2 SER 79 1HB SER 79 6.160 -0.908 -10.936 518 HB3 SER 79 2HB SER 79 4.857 -0.148 -11.849 519 HG SER 79 HG SER 79 6.472 -0.053 -13.256 520 H ASP 80 H ASP 80 6.753 3.414 -10.638 521 HA ASP 80 HA ASP 80 4.414 4.939 -11.046 522 HB2 ASP 80 1HB ASP 80 7.284 5.575 -11.766 523 HB3 ASP 80 2HB ASP 80 5.964 6.741 -11.737 524 H ASN 81 H ASN 81 3.648 5.968 -12.943 525 HA ASN 81 HA ASN 81 3.924 4.310 -15.312 526 HB2 ASN 81 1HB ASN 81 2.131 6.699 -14.820 527 HB3 ASN 81 2HB ASN 81 2.027 5.586 -16.181 528 HD21 ASN 81 1HD2 ASN 81 1.845 5.750 -12.662 529 HD22 ASN 81 2HD2 ASN 81 0.716 4.454 -12.482 530 H GLY 82 H GLY 82 4.367 7.716 -14.399 531 HA2 GLY 82 1HA GLY 82 6.349 8.862 -15.242 532 HA3 GLY 82 2HA GLY 82 6.123 7.999 -16.756 533 H ASP 83 H ASP 83 3.094 8.658 -16.064 534 HA ASP 83 HA ASP 83 3.122 11.137 -17.617 535 HB2 ASP 83 1HB ASP 83 1.163 8.936 -17.195 536 HB3 ASP 83 2HB ASP 83 0.519 10.542 -17.523 537 H GLY 84 H GLY 84 2.787 10.096 -14.426 538 HA2 GLY 84 1HA GLY 84 2.778 12.062 -12.856 539 HA3 GLY 84 2HA GLY 84 1.324 12.560 -13.707 540 H THR 85 H THR 85 1.484 9.215 -13.436 541 HA THR 85 HA THR 85 -0.109 9.237 -10.959 542 HB THR 85 HB THR 85 -1.460 7.353 -11.990 543 HG1 THR 85 1HG THR 85 0.238 7.362 -13.842 544 HG21 THR 85 1HG2 THR 85 -1.609 10.223 -12.540 545 HG22 THR 85 2HG2 THR 85 -2.856 9.112 -11.973 546 HG23 THR 85 3HG2 THR 85 -2.499 9.232 -13.696 547 H CYS 86 H CYS 86 -0.487 6.774 -10.317 548 HA CYS 86 HA CYS 86 2.047 5.319 -10.634 549 HB2 CYS 86 1HB CYS 86 0.608 5.916 -8.045 550 HB3 CYS 86 2HB CYS 86 1.864 4.693 -8.195 551 HG CYS 86 HG CYS 86 3.875 6.498 -8.880 552 H SER 87 H SER 87 1.914 3.060 -10.442 553 HA SER 87 HA SER 87 -0.808 1.946 -10.361 554 HB2 SER 87 1HB SER 87 -0.071 2.098 -12.709 555 HB3 SER 87 2HB SER 87 1.368 1.158 -12.315 556 HG SER 87 HG SER 87 -0.643 0.065 -13.200 557 H VAL 88 H VAL 88 -0.627 1.082 -8.333 558 HA VAL 88 HA VAL 88 1.639 -0.675 -7.750 559 HB VAL 88 HB VAL 88 -0.590 0.253 -5.933 560 HG11 VAL 88 1HG1 VAL 88 1.362 -1.826 -5.662 561 HG12 VAL 88 2HG1 VAL 88 1.670 -0.559 -4.472 562 HG13 VAL 88 3HG1 VAL 88 0.089 -1.340 -4.543 563 HG21 VAL 88 1HG2 VAL 88 2.015 1.406 -6.684 564 HG22 VAL 88 2HG2 VAL 88 0.556 2.192 -6.080 565 HG23 VAL 88 3HG2 VAL 88 1.655 1.389 -4.957 566 H SER 89 H SER 89 1.476 -2.787 -8.060 567 HA SER 89 HA SER 89 -1.208 -4.003 -8.088 568 HB2 SER 89 1HB SER 89 -0.148 -5.770 -9.542 569 HB3 SER 89 2HB SER 89 -0.233 -4.169 -10.276 570 HG SER 89 HG SER 89 1.822 -4.583 -10.607 571 H TYR 90 H TYR 90 -1.636 -5.621 -6.714 572 HA TYR 90 HA TYR 90 0.614 -6.823 -5.242 573 HB2 TYR 90 1HB TYR 90 -0.704 -6.810 -3.210 574 HB3 TYR 90 2HB TYR 90 -0.616 -5.173 -3.850 575 HD1 TYR 90 1HD TYR 90 -2.595 -4.144 -4.904 576 HD2 TYR 90 2HD TYR 90 -2.793 -7.977 -3.066 577 HE1 TYR 90 1HE TYR 90 -5.049 -3.989 -4.860 578 HE2 TYR 90 2HE TYR 90 -5.248 -7.833 -3.018 579 HH TYR 90 HH TYR 90 -6.950 -5.416 -3.084 580 H LEU 91 H LEU 91 0.201 -8.957 -4.376 581 HA LEU 91 HA LEU 91 -1.962 -10.400 -5.753 582 HB2 LEU 91 1HB LEU 91 0.956 -10.908 -5.767 583 HB3 LEU 91 2HB LEU 91 -0.101 -12.314 -5.653 584 HG LEU 91 HG LEU 91 -0.611 -10.325 -7.812 585 HD11 LEU 91 1HD1 LEU 91 1.766 -10.601 -7.997 586 HD12 LEU 91 2HD1 LEU 91 0.987 -11.545 -9.266 587 HD13 LEU 91 3HD1 LEU 91 1.621 -12.350 -7.831 588 HD21 LEU 91 1HD2 LEU 91 -1.721 -12.036 -8.812 589 HD22 LEU 91 2HD2 LEU 91 -1.868 -12.571 -7.137 590 HD23 LEU 91 3HD2 LEU 91 -0.626 -13.266 -8.180 591 HA PRO 92 HA PRO 92 -2.542 -11.423 -1.393 592 HB2 PRO 92 1HB PRO 92 -5.077 -12.336 -1.725 593 HB3 PRO 92 2HB PRO 92 -4.684 -10.617 -1.596 594 HG2 PRO 92 1HG PRO 92 -5.211 -12.262 -4.041 595 HG3 PRO 92 2HG PRO 92 -5.781 -10.630 -3.646 596 HD2 PRO 92 1HD PRO 92 -3.694 -11.081 -5.311 597 HD3 PRO 92 2HD PRO 92 -3.790 -9.648 -4.267 598 H THR 93 H THR 93 -3.286 -13.458 -0.301 599 HA THR 93 HA THR 93 -2.470 -15.802 -1.888 600 HB THR 93 HB THR 93 -0.921 -15.324 -0.059 601 HG1 THR 93 1HG THR 93 -2.504 -17.632 -0.072 602 HG21 THR 93 1HG2 THR 93 -1.518 -14.898 2.085 603 HG22 THR 93 2HG2 THR 93 -2.871 -16.028 2.044 604 HG23 THR 93 3HG2 THR 93 -3.042 -14.422 1.339 605 H LYS 94 H LYS 94 -4.779 -14.573 0.467 606 HA LYS 94 HA LYS 94 -6.600 -16.748 -0.270 607 HB2 LYS 94 1HB LYS 94 -7.323 -16.857 2.153 608 HB3 LYS 94 2HB LYS 94 -5.742 -17.541 1.796 609 HG2 LYS 94 1HG LYS 94 -5.608 -16.288 3.830 610 HG3 LYS 94 2HG LYS 94 -4.702 -15.436 2.577 611 HD2 LYS 94 1HD LYS 94 -6.153 -13.688 2.529 612 HD3 LYS 94 2HD LYS 94 -7.552 -14.700 2.896 613 HE2 LYS 94 1HE LYS 94 -7.084 -13.182 4.737 614 HE3 LYS 94 2HE LYS 94 -6.820 -14.854 5.229 615 HZ1 LYS 94 1HZ LYS 94 -4.552 -13.283 4.221 616 HZ2 LYS 94 2HZ LYS 94 -4.563 -14.565 5.324 617 HZ3 LYS 94 3HZ LYS 94 -5.084 -13.030 5.807 618 HA PRO 95 HA PRO 95 -9.642 -13.599 -0.585 619 HB2 PRO 95 1HB PRO 95 -11.888 -14.952 0.119 620 HB3 PRO 95 2HB PRO 95 -11.055 -15.208 -1.419 621 HG2 PRO 95 1HG PRO 95 -10.919 -16.820 1.100 622 HG3 PRO 95 2HG PRO 95 -11.031 -17.377 -0.580 623 HD2 PRO 95 1HD PRO 95 -8.696 -17.343 0.790 624 HD3 PRO 95 2HD PRO 95 -8.779 -17.075 -0.963 625 H GLY 96 H GLY 96 -10.138 -11.936 0.698 626 HA2 GLY 96 1HA GLY 96 -11.478 -12.183 3.177 627 HA3 GLY 96 2HA GLY 96 -9.763 -11.922 3.461 628 H GLU 97 H GLU 97 -9.369 -9.876 3.944 629 HA GLU 97 HA GLU 97 -10.445 -7.778 2.229 630 HB2 GLU 97 1HB GLU 97 -10.949 -7.997 5.184 631 HB3 GLU 97 2HB GLU 97 -10.932 -6.433 4.381 632 HG2 GLU 97 1HG GLU 97 -12.868 -6.832 3.247 633 HG3 GLU 97 2HG GLU 97 -12.628 -8.578 3.228 634 H TYR 98 H TYR 98 -8.911 -6.357 1.734 635 HA TYR 98 HA TYR 98 -6.572 -6.152 3.516 636 HB2 TYR 98 1HB TYR 98 -6.683 -6.036 0.498 637 HB3 TYR 98 2HB TYR 98 -5.257 -5.630 1.445 638 HD1 TYR 98 1HD TYR 98 -7.491 -8.358 0.394 639 HD2 TYR 98 2HD TYR 98 -3.908 -7.345 2.452 640 HE1 TYR 98 1HE TYR 98 -6.830 -10.727 0.396 641 HE2 TYR 98 2HE TYR 98 -3.236 -9.711 2.459 642 HH TYR 98 HH TYR 98 -4.828 -12.075 2.285 643 H PHE 99 H PHE 99 -6.123 -4.195 4.283 644 HA PHE 99 HA PHE 99 -7.593 -1.905 3.191 645 HB2 PHE 99 1HB PHE 99 -6.227 -2.345 5.850 646 HB3 PHE 99 2HB PHE 99 -6.899 -0.796 5.352 647 HD1 PHE 99 2HD PHE 99 -7.994 -4.367 5.420 648 HD2 PHE 99 1HD PHE 99 -8.954 -0.298 6.217 649 HE1 PHE 99 2HE PHE 99 -10.198 -5.057 6.269 650 HE2 PHE 99 1HE PHE 99 -11.159 -0.981 7.068 651 HZ PHE 99 HZ PHE 99 -11.784 -3.363 7.094 652 H VAL 100 H VAL 100 -6.488 -0.861 1.665 653 HA VAL 100 HA VAL 100 -3.602 -0.768 1.673 654 HB VAL 100 HB VAL 100 -5.514 0.673 -0.168 655 HG11 VAL 100 1HG1 VAL 100 -2.567 0.274 -0.106 656 HG12 VAL 100 2HG1 VAL 100 -3.379 0.306 -1.672 657 HG13 VAL 100 3HG1 VAL 100 -3.507 1.688 -0.582 658 HG21 VAL 100 1HG2 VAL 100 -5.754 -1.854 -0.055 659 HG22 VAL 100 2HG2 VAL 100 -5.427 -1.162 -1.644 660 HG23 VAL 100 3HG2 VAL 100 -4.128 -1.934 -0.735 661 H ASN 101 H ASN 101 -2.645 0.559 3.081 662 HA ASN 101 HA ASN 101 -3.873 3.032 3.915 663 HB2 ASN 101 1HB ASN 101 -1.198 1.783 4.571 664 HB3 ASN 101 2HB ASN 101 -1.786 3.284 5.280 665 HD21 ASN 101 1HD2 ASN 101 -2.706 -0.100 4.803 666 HD22 ASN 101 2HD2 ASN 101 -3.509 -0.276 6.323 667 H ILE 102 H ILE 102 -3.785 4.786 2.686 668 HA ILE 102 HA ILE 102 -1.364 5.258 1.073 669 HB ILE 102 HB ILE 102 -4.152 6.315 0.588 670 HG12 ILE 102 1HG1 ILE 102 -2.584 4.249 -0.969 671 HG13 ILE 102 2HG1 ILE 102 -3.870 3.869 0.171 672 HG21 ILE 102 1HG2 ILE 102 -3.285 7.737 -0.883 673 HG22 ILE 102 2HG2 ILE 102 -1.695 7.335 -0.237 674 HG23 ILE 102 3HG2 ILE 102 -2.324 6.465 -1.636 675 HD11 ILE 102 1HD1 ILE 102 -5.051 5.689 -1.511 676 HD12 ILE 102 2HD1 ILE 102 -4.022 4.746 -2.589 677 HD13 ILE 102 3HD1 ILE 102 -5.225 3.936 -1.585 678 H LEU 103 H LEU 103 -0.079 6.691 2.027 679 HA LEU 103 HA LEU 103 -1.286 9.143 3.108 680 HB2 LEU 103 1HB LEU 103 0.808 8.968 4.727 681 HB3 LEU 103 2HB LEU 103 -0.756 8.259 5.122 682 HG LEU 103 HG LEU 103 0.300 6.130 3.978 683 HD11 LEU 103 1HD1 LEU 103 2.715 5.987 4.553 684 HD12 LEU 103 2HD1 LEU 103 2.697 7.722 4.866 685 HD13 LEU 103 3HD1 LEU 103 2.354 7.115 3.247 686 HD21 LEU 103 1HD2 LEU 103 -0.009 5.438 6.062 687 HD22 LEU 103 2HD2 LEU 103 0.037 7.103 6.644 688 HD23 LEU 103 3HD2 LEU 103 1.529 6.168 6.524 689 H PHE 104 H PHE 104 -0.373 10.968 2.399 690 HA PHE 104 HA PHE 104 2.077 10.734 0.798 691 HB2 PHE 104 1HB PHE 104 -0.112 11.696 -0.157 692 HB3 PHE 104 2HB PHE 104 0.233 13.115 0.827 693 HD1 PHE 104 1HD PHE 104 2.218 10.877 -1.411 694 HD2 PHE 104 2HD PHE 104 1.105 14.852 -0.375 695 HE1 PHE 104 1HE PHE 104 3.681 11.746 -3.188 696 HE2 PHE 104 2HE PHE 104 2.565 15.728 -2.151 697 HZ PHE 104 HZ PHE 104 3.855 14.175 -3.561 698 H GLU 105 H GLU 105 3.879 11.252 1.839 699 HA GLU 105 HA GLU 105 5.386 12.337 3.152 700 HB2 GLU 105 1HB GLU 105 3.389 14.551 2.719 701 HB3 GLU 105 2HB GLU 105 4.863 14.788 3.646 702 HG2 GLU 105 1HG GLU 105 5.079 13.628 0.920 703 HG3 GLU 105 2HG GLU 105 4.741 15.350 1.083 704 H GLU 106 H GLU 106 3.692 10.634 4.480 705 HA GLU 106 HA GLU 106 3.138 10.044 6.610 706 HB2 GLU 106 1HB GLU 106 4.050 12.738 7.583 707 HB3 GLU 106 2HB GLU 106 4.056 11.203 8.439 708 HG2 GLU 106 1HG GLU 106 5.745 10.476 6.617 709 HG3 GLU 106 2HG GLU 106 5.938 12.208 6.352 710 H VAL 107 H VAL 107 1.312 11.452 4.828 711 HA VAL 107 HA VAL 107 -0.581 12.415 6.861 712 HB VAL 107 HB VAL 107 -0.437 13.657 4.123 713 HG11 VAL 107 1HG1 VAL 107 -2.014 15.133 4.860 714 HG12 VAL 107 2HG1 VAL 107 -2.458 13.726 5.829 715 HG13 VAL 107 3HG1 VAL 107 -1.494 15.021 6.541 716 HG21 VAL 107 1HG2 VAL 107 1.694 13.944 5.507 717 HG22 VAL 107 2HG2 VAL 107 0.913 15.407 4.906 718 HG23 VAL 107 3HG2 VAL 107 0.709 14.927 6.591 719 H HIS 108 H HIS 108 -2.198 11.005 6.888 720 HA HIS 108 HA HIS 108 -2.791 9.180 4.838 721 HB2 HIS 108 1HB HIS 108 -4.084 10.025 7.376 722 HB3 HIS 108 2HB HIS 108 -5.101 9.190 6.206 723 HD1 HIS 108 1HD HIS 108 -5.021 6.714 6.289 724 HD2 HIS 108 2HD HIS 108 -1.678 8.438 8.052 725 HE1 HIS 108 1HE HIS 108 -3.719 4.801 7.273 726 HE2 HIS 108 2HE HIS 108 -1.744 5.877 8.408 727 H ILE 109 H ILE 109 -3.817 9.438 2.975 728 HA ILE 109 HA ILE 109 -4.977 11.935 2.237 729 HB ILE 109 HB ILE 109 -5.481 10.905 0.107 730 HG12 ILE 109 1HG1 ILE 109 -4.421 8.258 0.992 731 HG13 ILE 109 2HG1 ILE 109 -6.088 8.662 1.386 732 HG21 ILE 109 1HG2 ILE 109 -3.135 9.835 -0.307 733 HG22 ILE 109 2HG2 ILE 109 -3.272 11.546 0.098 734 HG23 ILE 109 3HG2 ILE 109 -2.816 10.380 1.340 735 HD11 ILE 109 1HD1 ILE 109 -6.648 8.895 -0.916 736 HD12 ILE 109 2HD1 ILE 109 -4.956 8.757 -1.396 737 HD13 ILE 109 3HD1 ILE 109 -5.795 7.365 -0.713 738 HA PRO 110 HA PRO 110 -9.179 11.381 3.390 739 HB2 PRO 110 1HB PRO 110 -10.426 12.787 1.432 740 HB3 PRO 110 2HB PRO 110 -9.511 13.557 2.734 741 HG2 PRO 110 1HG PRO 110 -8.675 12.974 -0.081 742 HG3 PRO 110 2HG PRO 110 -8.405 14.435 0.887 743 HD2 PRO 110 1HD PRO 110 -6.492 12.553 0.526 744 HD3 PRO 110 2HD PRO 110 -6.621 13.510 2.016 745 H GLY 111 H GLY 111 -9.161 9.062 2.938 746 HA2 GLY 111 1HA GLY 111 -11.238 8.026 1.624 747 HA3 GLY 111 2HA GLY 111 -10.087 8.219 0.310 748 H SER 112 H SER 112 -8.021 7.702 2.629 749 HA SER 112 HA SER 112 -8.075 4.787 2.270 750 HB2 SER 112 1HB SER 112 -5.777 4.790 2.250 751 HB3 SER 112 2HB SER 112 -6.064 6.420 1.640 752 HG SER 112 HG SER 112 -5.469 5.670 4.312 753 HA PRO 113 HA PRO 113 -6.502 3.226 3.197 754 HB2 PRO 113 1HB PRO 113 -7.432 0.905 4.255 755 HB3 PRO 113 2HB PRO 113 -6.025 1.759 4.900 756 HG2 PRO 113 1HG PRO 113 -8.856 1.766 5.874 757 HG3 PRO 113 2HG PRO 113 -7.352 1.664 6.808 758 HD2 PRO 113 1HD PRO 113 -8.749 3.968 6.543 759 HD3 PRO 113 2HD PRO 113 -6.980 3.936 6.695 760 H PHE 114 H PHE 114 -7.392 1.416 1.811 761 HA PHE 114 HA PHE 114 -10.216 1.956 1.161 762 HB2 PHE 114 1HB PHE 114 -7.855 1.421 -0.634 763 HB3 PHE 114 2HB PHE 114 -9.512 1.220 -1.194 764 HD1 PHE 114 1HD PHE 114 -7.181 3.698 0.286 765 HD2 PHE 114 2HD PHE 114 -10.725 3.043 -1.979 766 HE1 PHE 114 1HE PHE 114 -7.291 6.101 -0.230 767 HE2 PHE 114 2HE PHE 114 -10.840 5.445 -2.499 768 HZ PHE 114 HZ PHE 114 -9.121 6.977 -1.625 769 H LYS 115 H LYS 115 -11.213 0.287 2.184 770 HA LYS 115 HA LYS 115 -10.284 -2.313 2.489 771 HB2 LYS 115 1HB LYS 115 -12.206 -1.400 3.718 772 HB3 LYS 115 2HB LYS 115 -13.150 -1.379 2.234 773 HG2 LYS 115 1HG LYS 115 -12.535 -3.942 2.213 774 HG3 LYS 115 2HG LYS 115 -12.351 -3.669 3.947 775 HD2 LYS 115 1HD LYS 115 -14.806 -2.902 2.375 776 HD3 LYS 115 2HD LYS 115 -14.631 -4.428 3.244 777 HE2 LYS 115 1HE LYS 115 -14.214 -1.799 4.624 778 HE3 LYS 115 2HE LYS 115 -15.832 -2.466 4.410 779 HZ1 LYS 115 1HZ LYS 115 -14.470 -4.569 5.391 780 HZ2 LYS 115 2HZ LYS 115 -15.401 -3.509 6.323 781 HZ3 LYS 115 3HZ LYS 115 -13.729 -3.284 6.205 782 H ALA 116 H ALA 116 -9.822 -3.816 1.037 783 HA ALA 116 HA ALA 116 -11.279 -3.798 -1.525 784 HB1 ALA 116 1HB ALA 116 -8.460 -3.938 -0.919 785 HB2 ALA 116 2HB ALA 116 -8.979 -5.319 -1.887 786 HB3 ALA 116 3HB ALA 116 -9.268 -3.678 -2.465 787 H ASP 117 H ASP 117 -12.862 -5.270 -1.340 788 HA ASP 117 HA ASP 117 -12.556 -7.683 0.187 789 HB2 ASP 117 1HB ASP 117 -14.728 -6.439 -1.439 790 HB3 ASP 117 2HB ASP 117 -14.823 -8.166 -1.103 791 H ILE 118 H ILE 118 -11.361 -9.315 -0.530 792 HA ILE 118 HA ILE 118 -11.085 -9.776 -3.398 793 HB ILE 118 HB ILE 118 -9.670 -11.043 -1.050 794 HG12 ILE 118 1HG1 ILE 118 -9.161 -8.627 -1.620 795 HG13 ILE 118 2HG1 ILE 118 -7.783 -9.722 -1.661 796 HG21 ILE 118 1HG2 ILE 118 -9.738 -12.682 -2.758 797 HG22 ILE 118 2HG2 ILE 118 -9.387 -11.493 -4.010 798 HG23 ILE 118 3HG2 ILE 118 -8.141 -11.940 -2.845 799 HD11 ILE 118 1HD1 ILE 118 -9.242 -9.281 -4.196 800 HD12 ILE 118 2HD1 ILE 118 -8.257 -7.957 -3.574 801 HD13 ILE 118 3HD1 ILE 118 -7.521 -9.525 -3.901 802 H GLU 119 H GLU 119 -11.893 -11.501 -4.464 803 HA GLU 119 HA GLU 119 -13.498 -13.406 -2.892 804 HB2 GLU 119 1HB GLU 119 -13.883 -12.315 -5.676 805 HB3 GLU 119 2HB GLU 119 -14.737 -13.738 -5.096 806 HG2 GLU 119 1HG GLU 119 -14.887 -10.966 -3.936 807 HG3 GLU 119 2HG GLU 119 -16.129 -11.779 -4.887 808 H MET 120 H MET 120 -13.777 -15.567 -3.993 809 HA MET 120 HA MET 120 -11.143 -16.546 -4.738 810 HB2 MET 120 1HB MET 120 -13.725 -17.912 -3.999 811 HB3 MET 120 2HB MET 120 -12.328 -18.801 -4.590 812 HG2 MET 120 1HG MET 120 -11.061 -17.598 -2.684 813 HG3 MET 120 2HG MET 120 -12.671 -17.312 -2.026 814 HE1 MET 120 1HE MET 120 -9.823 -18.920 -1.747 815 HE2 MET 120 2HE MET 120 -10.405 -19.708 -0.280 816 HE3 MET 120 3HE MET 120 -9.973 -20.676 -1.691 817 HA PRO 121 HA PRO 121 -12.224 -16.418 -9.055 818 HB2 PRO 121 1HB PRO 121 -9.928 -17.553 -9.955 819 HB3 PRO 121 2HB PRO 121 -10.025 -15.869 -9.428 820 HG2 PRO 121 1HG PRO 121 -9.036 -18.266 -7.934 821 HG3 PRO 121 2HG PRO 121 -8.341 -16.637 -8.021 822 HD2 PRO 121 1HD PRO 121 -9.816 -17.481 -5.913 823 HD3 PRO 121 2HD PRO 121 -9.808 -15.791 -6.458 824 H PHE 122 H PHE 122 -12.235 -18.021 -10.885 825 HA PHE 122 HA PHE 122 -13.162 -20.604 -9.869 826 HB2 PHE 122 1HB PHE 122 -14.278 -20.865 -12.013 827 HB3 PHE 122 2HB PHE 122 -14.677 -19.294 -11.326 828 HD1 PHE 122 1HD PHE 122 -13.701 -17.245 -12.269 829 HD2 PHE 122 2HD PHE 122 -13.062 -21.059 -14.049 830 HE1 PHE 122 1HE PHE 122 -12.956 -16.149 -14.343 831 HE2 PHE 122 2HE PHE 122 -12.315 -19.969 -16.124 832 HZ PHE 122 HZ PHE 122 -12.260 -17.511 -16.273 833 H ASP 123 H ASP 123 -12.673 -22.548 -11.186 834 HA ASP 123 HA ASP 123 -9.854 -22.499 -12.006 835 HB2 ASP 123 1HB ASP 123 -11.580 -24.873 -11.267 836 HB3 ASP 123 2HB ASP 123 -9.847 -24.901 -11.584 837 HA PRO 124 HA PRO 124 -10.831 -23.254 -16.220 838 HB2 PRO 124 1HB PRO 124 -8.649 -24.680 -16.982 839 HB3 PRO 124 2HB PRO 124 -8.596 -22.943 -16.655 840 HG2 PRO 124 1HG PRO 124 -7.801 -25.228 -14.891 841 HG3 PRO 124 2HG PRO 124 -6.970 -23.685 -15.167 842 HD2 PRO 124 1HD PRO 124 -8.491 -24.148 -12.976 843 HD3 PRO 124 2HD PRO 124 -8.344 -22.541 -13.714 844 H SER 125 H SER 125 -11.762 -24.775 -17.537 845 HA SER 125 HA SER 125 -12.400 -27.322 -16.298 846 HB2 SER 125 1HB SER 125 -13.481 -25.741 -18.592 847 HB3 SER 125 2HB SER 125 -13.770 -27.480 -18.562 848 HG SER 125 HG SER 125 -15.304 -27.056 -17.206 849 H SER 126 H SER 126 -10.895 -26.139 -19.285 850 HA SER 126 HA SER 126 -9.060 -28.289 -19.409 851 HB2 SER 126 1HB SER 126 -9.881 -29.549 -21.263 852 HB3 SER 126 2HB SER 126 -11.216 -29.427 -20.117 853 HG SER 126 HG SER 126 -11.587 -28.941 -22.476 854 H GLY 127 H GLY 127 -8.056 -28.348 -21.760 855 HA2 GLY 127 1HA GLY 127 -7.892 -25.551 -22.703 856 HA3 GLY 127 2HA GLY 127 -6.471 -26.568 -22.519 857 HA PRO 128 HA PRO 128 -8.495 -26.897 -26.827 858 HB2 PRO 128 1HB PRO 128 -6.776 -25.318 -28.214 859 HB3 PRO 128 2HB PRO 128 -8.261 -24.706 -27.477 860 HG2 PRO 128 1HG PRO 128 -5.448 -24.568 -26.464 861 HG3 PRO 128 2HG PRO 128 -6.700 -23.313 -26.461 862 HD2 PRO 128 1HD PRO 128 -6.100 -24.778 -24.264 863 HD3 PRO 128 2HD PRO 128 -7.738 -24.176 -24.592 864 H SER 129 H SER 129 -5.454 -27.272 -25.323 865 HA SER 129 HA SER 129 -4.381 -28.833 -27.561 866 HB2 SER 129 1HB SER 129 -3.064 -27.865 -25.013 867 HB3 SER 129 2HB SER 129 -2.259 -28.816 -26.261 868 HG SER 129 HG SER 129 -2.549 -27.124 -27.698 869 H SER 130 H SER 130 -5.013 -30.887 -27.557 870 HA SER 130 HA SER 130 -5.689 -32.259 -25.108 871 HB2 SER 130 1HB SER 130 -6.425 -34.060 -26.509 872 HB3 SER 130 2HB SER 130 -6.928 -32.561 -27.290 873 HG SER 130 HG SER 130 -4.856 -34.330 -28.002 874 H GLY 131 H GLY 131 -3.165 -32.470 -27.587 875 HA2 GLY 131 1HA GLY 131 -1.787 -34.531 -26.029 876 HA3 GLY 131 2HA GLY 131 -1.380 -34.021 -27.661 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -21.817 -6.103 9.363 2 HA2 GLY 1 1HA GLY 1 -22.313 -3.245 9.071 3 HA3 GLY 1 2HA GLY 1 -20.843 -4.099 8.626 4 H SER 2 H SER 2 -20.901 -2.892 6.640 5 HA SER 2 HA SER 2 -22.887 -3.925 4.723 6 HB2 SER 2 1HB SER 2 -22.705 -1.872 3.485 7 HB3 SER 2 2HB SER 2 -22.975 -1.449 5.176 8 HG SER 2 HG SER 2 -20.617 -1.253 5.299 9 H SER 3 H SER 3 -22.138 -4.237 2.522 10 HA SER 3 HA SER 3 -19.486 -5.411 2.488 11 HB2 SER 3 1HB SER 3 -21.791 -5.428 0.541 12 HB3 SER 3 2HB SER 3 -20.214 -6.106 0.135 13 HG SER 3 HG SER 3 -21.399 -6.889 2.540 14 H GLY 4 H GLY 4 -21.285 -2.998 0.579 15 HA2 GLY 4 1HA GLY 4 -19.258 -1.131 0.376 16 HA3 GLY 4 2HA GLY 4 -19.024 -2.230 -0.976 17 H SER 5 H SER 5 -21.177 -2.699 -2.189 18 HA SER 5 HA SER 5 -21.991 -0.356 -3.439 19 HB2 SER 5 1HB SER 5 -23.554 -2.945 -3.290 20 HB3 SER 5 2HB SER 5 -23.708 -1.695 -4.525 21 HG SER 5 HG SER 5 -22.315 -2.987 -5.486 22 H SER 6 H SER 6 -24.268 0.461 -3.584 23 HA SER 6 HA SER 6 -25.635 0.389 -0.981 24 HB2 SER 6 1HB SER 6 -24.890 2.839 -2.586 25 HB3 SER 6 2HB SER 6 -26.095 2.862 -1.298 26 HG SER 6 HG SER 6 -23.350 2.180 -1.065 27 H GLY 7 H GLY 7 -25.917 1.526 -4.350 28 HA2 GLY 7 1HA GLY 7 -28.153 0.058 -5.037 29 HA3 GLY 7 2HA GLY 7 -28.767 1.540 -4.320 30 H ASP 8 H ASP 8 -28.504 3.497 -5.396 31 HA ASP 8 HA ASP 8 -27.504 3.281 -8.160 32 HB2 ASP 8 1HB ASP 8 -29.727 5.141 -7.353 33 HB3 ASP 8 2HB ASP 8 -29.287 4.590 -8.967 34 H VAL 9 H VAL 9 -25.472 4.105 -7.571 35 HA VAL 9 HA VAL 9 -25.220 6.617 -6.205 36 HB VAL 9 HB VAL 9 -23.160 5.022 -7.736 37 HG11 VAL 9 1HG1 VAL 9 -22.265 6.861 -5.641 38 HG12 VAL 9 2HG1 VAL 9 -21.608 6.566 -7.252 39 HG13 VAL 9 3HG1 VAL 9 -22.980 7.655 -7.044 40 HG21 VAL 9 1HG2 VAL 9 -22.382 4.444 -5.412 41 HG22 VAL 9 2HG2 VAL 9 -23.896 5.125 -4.817 42 HG23 VAL 9 3HG2 VAL 9 -23.920 3.729 -5.893 43 H THR 10 H THR 10 -25.112 8.608 -7.041 44 HA THR 10 HA THR 10 -25.269 8.874 -9.959 45 HB THR 10 HB THR 10 -26.084 11.178 -9.507 46 HG1 THR 10 1HG THR 10 -25.188 11.557 -7.476 47 HG21 THR 10 1HG2 THR 10 -27.435 8.708 -8.977 48 HG22 THR 10 2HG2 THR 10 -28.079 10.200 -9.663 49 HG23 THR 10 3HG2 THR 10 -28.071 9.964 -7.915 50 H TYR 11 H TYR 11 -24.138 10.678 -10.976 51 HA TYR 11 HA TYR 11 -22.021 12.027 -9.627 52 HB2 TYR 11 1HB TYR 11 -20.123 10.956 -10.626 53 HB3 TYR 11 2HB TYR 11 -21.086 9.705 -9.848 54 HD1 TYR 11 2HD TYR 11 -22.998 8.748 -11.560 55 HD2 TYR 11 1HD TYR 11 -19.222 10.373 -12.657 56 HE1 TYR 11 2HE TYR 11 -23.078 7.492 -13.674 57 HE2 TYR 11 1HE TYR 11 -19.292 9.122 -14.774 58 HH TYR 11 HH TYR 11 -20.860 8.068 -16.238 59 H ASP 12 H ASP 12 -21.614 13.861 -10.681 60 HA ASP 12 HA ASP 12 -21.437 14.100 -13.493 61 HB2 ASP 12 1HB ASP 12 -23.958 13.848 -13.100 62 HB3 ASP 12 2HB ASP 12 -23.885 15.447 -12.364 63 H GLY 13 H GLY 13 -20.230 15.839 -13.952 64 HA2 GLY 13 1HA GLY 13 -19.694 18.165 -13.740 65 HA3 GLY 13 2HA GLY 13 -20.256 18.105 -12.076 66 H HIS 14 H HIS 14 -17.568 18.068 -14.082 67 HA HIS 14 HA HIS 14 -15.857 16.802 -12.066 68 HB2 HIS 14 1HB HIS 14 -14.088 17.107 -13.903 69 HB3 HIS 14 2HB HIS 14 -15.361 15.925 -14.193 70 HD1 HIS 14 1HD HIS 14 -16.444 16.101 -16.406 71 HD2 HIS 14 2HD HIS 14 -14.766 19.712 -15.217 72 HE1 HIS 14 1HE HIS 14 -16.785 17.671 -18.341 73 HE2 HIS 14 2HE HIS 14 -15.686 19.823 -17.632 74 HA PRO 15 HA PRO 15 -14.426 20.677 -10.550 75 HB2 PRO 15 1HB PRO 15 -12.024 19.895 -9.557 76 HB3 PRO 15 2HB PRO 15 -13.560 19.495 -8.780 77 HG2 PRO 15 1HG PRO 15 -11.849 17.813 -10.571 78 HG3 PRO 15 2HG PRO 15 -12.688 17.360 -9.076 79 HD2 PRO 15 1HD PRO 15 -13.665 16.771 -11.531 80 HD3 PRO 15 2HD PRO 15 -14.716 17.110 -10.141 81 H VAL 16 H VAL 16 -13.541 22.366 -11.555 82 HA VAL 16 HA VAL 16 -12.040 22.106 -13.935 83 HB VAL 16 HB VAL 16 -11.736 24.554 -13.796 84 HG11 VAL 16 1HG1 VAL 16 -14.384 24.918 -13.343 85 HG12 VAL 16 2HG1 VAL 16 -13.707 24.294 -14.849 86 HG13 VAL 16 3HG1 VAL 16 -14.327 23.179 -13.630 87 HG21 VAL 16 1HG2 VAL 16 -13.379 24.604 -11.303 88 HG22 VAL 16 2HG2 VAL 16 -11.632 24.392 -11.190 89 HG23 VAL 16 3HG2 VAL 16 -12.296 25.832 -11.961 90 HA PRO 17 HA PRO 17 -7.923 21.689 -12.432 91 HB2 PRO 17 1HB PRO 17 -6.577 22.674 -14.574 92 HB3 PRO 17 2HB PRO 17 -7.361 21.090 -14.577 93 HG2 PRO 17 1HG PRO 17 -8.337 23.688 -15.699 94 HG3 PRO 17 2HG PRO 17 -8.410 22.065 -16.409 95 HD2 PRO 17 1HD PRO 17 -10.536 23.220 -15.194 96 HD3 PRO 17 2HD PRO 17 -10.256 21.467 -15.166 97 H GLY 18 H GLY 18 -6.356 22.876 -11.405 98 HA2 GLY 18 1HA GLY 18 -6.860 25.386 -10.436 99 HA3 GLY 18 2HA GLY 18 -5.242 24.714 -10.578 100 H SER 19 H SER 19 -5.592 27.409 -10.775 101 HA SER 19 HA SER 19 -6.005 28.379 -13.389 102 HB2 SER 19 1HB SER 19 -4.298 29.605 -11.209 103 HB3 SER 19 2HB SER 19 -4.983 30.444 -12.600 104 HG SER 19 HG SER 19 -7.080 29.725 -11.722 105 HA PRO 20 HA PRO 20 -2.308 27.219 -15.473 106 HB2 PRO 20 1HB PRO 20 -2.266 29.144 -17.387 107 HB3 PRO 20 2HB PRO 20 -3.401 27.790 -17.412 108 HG2 PRO 20 1HG PRO 20 -3.832 30.607 -16.495 109 HG3 PRO 20 2HG PRO 20 -4.894 29.572 -17.468 110 HD2 PRO 20 1HD PRO 20 -5.276 29.969 -14.816 111 HD3 PRO 20 2HD PRO 20 -5.692 28.443 -15.623 112 H TYR 21 H TYR 21 -2.659 30.121 -13.753 113 HA TYR 21 HA TYR 21 -0.062 31.210 -14.386 114 HB2 TYR 21 1HB TYR 21 -1.809 32.012 -12.065 115 HB3 TYR 21 2HB TYR 21 -0.603 32.981 -12.904 116 HD1 TYR 21 1HD TYR 21 -1.150 33.056 -15.599 117 HD2 TYR 21 2HD TYR 21 -3.982 32.652 -12.450 118 HE1 TYR 21 1HE TYR 21 -2.900 33.975 -17.063 119 HE2 TYR 21 2HE TYR 21 -5.740 33.568 -13.905 120 HH TYR 21 HH TYR 21 -5.290 34.007 -17.280 121 H THR 22 H THR 22 0.364 28.662 -13.632 122 HA THR 22 HA THR 22 1.684 28.982 -11.025 123 HB THR 22 HB THR 22 -0.349 27.618 -10.696 124 HG1 THR 22 1HG THR 22 1.599 27.192 -9.483 125 HG21 THR 22 1HG2 THR 22 -0.744 26.540 -12.735 126 HG22 THR 22 2HG2 THR 22 -0.192 25.240 -11.678 127 HG23 THR 22 3HG2 THR 22 0.915 25.953 -12.852 128 H VAL 23 H VAL 23 3.532 27.595 -10.705 129 HA VAL 23 HA VAL 23 4.657 26.485 -13.188 130 HB VAL 23 HB VAL 23 6.177 28.164 -11.188 131 HG11 VAL 23 1HG1 VAL 23 7.921 26.971 -11.928 132 HG12 VAL 23 2HG1 VAL 23 7.009 26.308 -13.286 133 HG13 VAL 23 3HG1 VAL 23 7.747 27.905 -13.414 134 HG21 VAL 23 1HG2 VAL 23 5.131 28.738 -13.945 135 HG22 VAL 23 2HG2 VAL 23 4.890 29.661 -12.462 136 HG23 VAL 23 3HG2 VAL 23 6.471 29.646 -13.244 137 H GLU 24 H GLU 24 5.832 24.627 -12.979 138 HA GLU 24 HA GLU 24 5.470 23.128 -10.564 139 HB2 GLU 24 1HB GLU 24 5.623 22.378 -13.119 140 HB3 GLU 24 2HB GLU 24 7.317 22.171 -12.694 141 HG2 GLU 24 1HG GLU 24 6.256 20.880 -10.639 142 HG3 GLU 24 2HG GLU 24 4.933 20.669 -11.784 143 H ALA 25 H ALA 25 6.881 25.288 -9.806 144 HA ALA 25 HA ALA 25 9.704 24.545 -9.696 145 HB1 ALA 25 1HB ALA 25 9.203 26.858 -10.224 146 HB2 ALA 25 2HB ALA 25 8.288 27.024 -8.725 147 HB3 ALA 25 3HB ALA 25 10.030 26.753 -8.670 148 H SER 26 H SER 26 9.394 22.684 -8.343 149 HA SER 26 HA SER 26 9.370 21.568 -6.360 150 HB2 SER 26 1HB SER 26 11.097 23.485 -5.965 151 HB3 SER 26 2HB SER 26 9.848 24.159 -4.918 152 HG SER 26 HG SER 26 10.832 21.509 -4.695 153 H LEU 27 H LEU 27 6.883 22.074 -7.216 154 HA LEU 27 HA LEU 27 5.171 23.544 -5.591 155 HB2 LEU 27 1HB LEU 27 4.706 21.007 -7.141 156 HB3 LEU 27 2HB LEU 27 3.416 21.909 -6.350 157 HG LEU 27 HG LEU 27 5.191 23.089 -8.479 158 HD11 LEU 27 1HD1 LEU 27 2.889 21.284 -8.698 159 HD12 LEU 27 2HD1 LEU 27 4.154 21.664 -9.866 160 HD13 LEU 27 3HD1 LEU 27 2.781 22.752 -9.669 161 HD21 LEU 27 1HD2 LEU 27 2.752 23.963 -6.994 162 HD22 LEU 27 2HD2 LEU 27 3.028 24.538 -8.638 163 HD23 LEU 27 3HD2 LEU 27 4.219 24.865 -7.378 164 HA PRO 28 HA PRO 28 5.094 21.388 -1.755 165 HB2 PRO 28 1HB PRO 28 2.655 22.178 -0.861 166 HB3 PRO 28 2HB PRO 28 4.058 23.252 -0.899 167 HG2 PRO 28 1HG PRO 28 1.784 23.038 -2.834 168 HG3 PRO 28 2HG PRO 28 2.566 24.490 -2.182 169 HD2 PRO 28 1HD PRO 28 3.122 23.519 -4.648 170 HD3 PRO 28 2HD PRO 28 4.334 24.352 -3.654 171 HA PRO 29 HA PRO 29 2.961 17.588 -2.450 172 HB2 PRO 29 1HB PRO 29 2.975 16.619 0.086 173 HB3 PRO 29 2HB PRO 29 4.419 16.666 -0.933 174 HG2 PRO 29 1HG PRO 29 3.566 18.551 1.231 175 HG3 PRO 29 2HG PRO 29 5.176 17.884 0.898 176 HD2 PRO 29 1HD PRO 29 4.451 20.384 0.150 177 HD3 PRO 29 2HD PRO 29 5.592 19.400 -0.788 178 H ASP 30 H ASP 30 0.847 17.623 -2.903 179 HA ASP 30 HA ASP 30 -1.029 18.485 -0.803 180 HB2 ASP 30 1HB ASP 30 -1.244 18.527 -3.811 181 HB3 ASP 30 2HB ASP 30 -2.645 18.732 -2.763 182 HA PRO 31 HA PRO 31 -1.769 13.999 -0.886 183 HB2 PRO 31 1HB PRO 31 -2.832 13.923 1.611 184 HB3 PRO 31 2HB PRO 31 -1.091 13.915 1.308 185 HG2 PRO 31 1HG PRO 31 -2.868 16.196 2.082 186 HG3 PRO 31 2HG PRO 31 -1.253 15.780 2.686 187 HD2 PRO 31 1HD PRO 31 -1.663 17.716 0.838 188 HD3 PRO 31 2HD PRO 31 -0.193 16.721 0.869 189 H SER 32 H SER 32 -3.928 16.640 -0.009 190 HA SER 32 HA SER 32 -6.345 15.216 0.008 191 HB2 SER 32 1HB SER 32 -5.817 18.114 -0.694 192 HB3 SER 32 2HB SER 32 -7.412 17.431 -0.377 193 HG SER 32 HG SER 32 -5.436 17.010 1.540 194 H LYS 33 H LYS 33 -4.444 16.559 -2.605 195 HA LYS 33 HA LYS 33 -6.484 16.207 -4.598 196 HB2 LYS 33 1HB LYS 33 -3.513 16.675 -4.913 197 HB3 LYS 33 2HB LYS 33 -4.708 16.784 -6.198 198 HG2 LYS 33 1HG LYS 33 -5.131 18.463 -3.794 199 HG3 LYS 33 2HG LYS 33 -3.826 18.913 -4.894 200 HD2 LYS 33 1HD LYS 33 -5.535 20.066 -5.867 201 HD3 LYS 33 2HD LYS 33 -5.728 18.524 -6.704 202 HE2 LYS 33 1HE LYS 33 -7.148 18.885 -4.122 203 HE3 LYS 33 2HE LYS 33 -7.759 19.767 -5.521 204 HZ1 LYS 33 1HZ LYS 33 -7.204 17.080 -6.216 205 HZ2 LYS 33 2HZ LYS 33 -8.669 17.921 -6.301 206 HZ3 LYS 33 3HZ LYS 33 -8.233 17.124 -4.874 207 H VAL 34 H VAL 34 -4.234 14.174 -3.063 208 HA VAL 34 HA VAL 34 -3.890 12.314 -5.230 209 HB VAL 34 HB VAL 34 -3.299 12.017 -2.282 210 HG11 VAL 34 1HG1 VAL 34 -2.195 10.309 -4.491 211 HG12 VAL 34 2HG1 VAL 34 -2.170 10.017 -2.750 212 HG13 VAL 34 3HG1 VAL 34 -3.684 9.890 -3.646 213 HG21 VAL 34 1HG2 VAL 34 -0.898 12.159 -3.308 214 HG22 VAL 34 2HG2 VAL 34 -1.726 12.989 -4.626 215 HG23 VAL 34 3HG2 VAL 34 -1.814 13.632 -2.986 216 H LYS 35 H LYS 35 -5.773 11.440 -5.926 217 HA LYS 35 HA LYS 35 -7.467 10.099 -3.922 218 HB2 LYS 35 1HB LYS 35 -8.091 11.543 -6.452 219 HB3 LYS 35 2HB LYS 35 -9.099 10.165 -6.028 220 HG2 LYS 35 1HG LYS 35 -10.277 11.836 -5.032 221 HG3 LYS 35 2HG LYS 35 -9.209 11.390 -3.700 222 HD2 LYS 35 1HD LYS 35 -9.049 13.709 -3.750 223 HD3 LYS 35 2HD LYS 35 -7.630 13.193 -4.665 224 HE2 LYS 35 1HE LYS 35 -8.626 14.961 -5.892 225 HE3 LYS 35 2HE LYS 35 -9.011 13.470 -6.750 226 HZ1 LYS 35 1HZ LYS 35 -10.992 14.688 -6.680 227 HZ2 LYS 35 2HZ LYS 35 -10.795 15.112 -5.055 228 HZ3 LYS 35 3HZ LYS 35 -11.175 13.517 -5.473 229 H ALA 36 H ALA 36 -7.922 7.961 -4.139 230 HA ALA 36 HA ALA 36 -6.555 6.550 -6.332 231 HB1 ALA 36 1HB ALA 36 -6.426 4.625 -4.870 232 HB2 ALA 36 2HB ALA 36 -5.733 6.037 -4.069 233 HB3 ALA 36 3HB ALA 36 -7.346 5.475 -3.628 234 H HIS 37 H HIS 37 -7.810 5.710 -7.850 235 HA HIS 37 HA HIS 37 -10.428 4.621 -7.105 236 HB2 HIS 37 1HB HIS 37 -11.305 5.610 -9.304 237 HB3 HIS 37 2HB HIS 37 -11.093 6.716 -7.950 238 HD1 HIS 37 1HD HIS 37 -9.261 5.646 -11.098 239 HD2 HIS 37 2HD HIS 37 -9.553 8.884 -8.511 240 HE1 HIS 37 1HE HIS 37 -7.889 7.473 -12.150 241 HE2 HIS 37 2HE HIS 37 -8.011 9.393 -10.525 242 H GLY 38 H GLY 38 -10.766 2.657 -7.932 243 HA2 GLY 38 1HA GLY 38 -10.344 1.695 -10.433 244 HA3 GLY 38 2HA GLY 38 -8.775 1.496 -9.667 245 HA PRO 39 HA PRO 39 -11.495 -2.227 -8.826 246 HB2 PRO 39 1HB PRO 39 -9.801 -4.060 -9.894 247 HB3 PRO 39 2HB PRO 39 -11.035 -3.224 -10.844 248 HG2 PRO 39 1HG PRO 39 -8.107 -2.643 -10.612 249 HG3 PRO 39 2HG PRO 39 -9.134 -2.655 -12.058 250 HD2 PRO 39 1HD PRO 39 -8.420 -0.368 -10.797 251 HD3 PRO 39 2HD PRO 39 -9.976 -0.553 -11.630 252 H GLY 40 H GLY 40 -7.925 -2.108 -8.741 253 HA2 GLY 40 1HA GLY 40 -7.344 -3.935 -6.821 254 HA3 GLY 40 2HA GLY 40 -6.487 -2.407 -6.958 255 H LEU 41 H LEU 41 -8.963 -0.889 -6.322 256 HA LEU 41 HA LEU 41 -8.650 -0.945 -3.456 257 HB2 LEU 41 1HB LEU 41 -10.570 0.726 -5.060 258 HB3 LEU 41 2HB LEU 41 -9.975 1.036 -3.430 259 HG LEU 41 HG LEU 41 -8.237 1.089 -5.893 260 HD11 LEU 41 1HD1 LEU 41 -9.662 3.320 -4.460 261 HD12 LEU 41 2HD1 LEU 41 -9.833 2.840 -6.148 262 HD13 LEU 41 3HD1 LEU 41 -8.327 3.566 -5.586 263 HD21 LEU 41 1HD2 LEU 41 -6.981 2.607 -4.096 264 HD22 LEU 41 2HD2 LEU 41 -6.721 0.867 -4.220 265 HD23 LEU 41 3HD2 LEU 41 -7.813 1.511 -2.993 266 H GLU 42 H GLU 42 -11.339 -1.424 -5.737 267 HA GLU 42 HA GLU 42 -13.303 -2.027 -3.832 268 HB2 GLU 42 1HB GLU 42 -13.056 -2.974 -6.693 269 HB3 GLU 42 2HB GLU 42 -14.508 -3.110 -5.710 270 HG2 GLU 42 1HG GLU 42 -13.173 -0.508 -6.412 271 HG3 GLU 42 2HG GLU 42 -14.529 -1.207 -7.295 272 H GLY 43 H GLY 43 -10.954 -4.080 -5.488 273 HA2 GLY 43 1HA GLY 43 -10.378 -5.919 -3.675 274 HA3 GLY 43 2HA GLY 43 -11.988 -6.453 -4.135 275 H GLY 44 H GLY 44 -10.579 -8.407 -4.642 276 HA2 GLY 44 1HA GLY 44 -10.254 -8.520 -7.493 277 HA3 GLY 44 2HA GLY 44 -8.721 -8.598 -6.637 278 H LEU 45 H LEU 45 -8.186 -10.685 -7.109 279 HA LEU 45 HA LEU 45 -9.852 -12.737 -5.835 280 HB2 LEU 45 1HB LEU 45 -8.583 -13.003 -8.557 281 HB3 LEU 45 2HB LEU 45 -9.473 -14.260 -7.701 282 HG LEU 45 HG LEU 45 -10.793 -11.669 -8.433 283 HD11 LEU 45 1HD1 LEU 45 -11.622 -12.856 -10.474 284 HD12 LEU 45 2HD1 LEU 45 -10.383 -14.078 -10.191 285 HD13 LEU 45 3HD1 LEU 45 -9.916 -12.409 -10.518 286 HD21 LEU 45 1HD2 LEU 45 -11.766 -13.416 -6.831 287 HD22 LEU 45 2HD2 LEU 45 -11.987 -14.418 -8.266 288 HD23 LEU 45 3HD2 LEU 45 -12.790 -12.850 -8.151 289 H VAL 46 H VAL 46 -8.745 -14.364 -4.830 290 HA VAL 46 HA VAL 46 -6.160 -13.916 -3.924 291 HB VAL 46 HB VAL 46 -7.585 -16.573 -4.128 292 HG11 VAL 46 1HG1 VAL 46 -5.182 -15.687 -2.546 293 HG12 VAL 46 2HG1 VAL 46 -6.112 -17.137 -2.162 294 HG13 VAL 46 3HG1 VAL 46 -5.289 -17.002 -3.716 295 HG21 VAL 46 1HG2 VAL 46 -8.262 -14.292 -2.659 296 HG22 VAL 46 2HG2 VAL 46 -8.896 -15.924 -2.452 297 HG23 VAL 46 3HG2 VAL 46 -7.507 -15.392 -1.505 298 H GLY 47 H GLY 47 -4.159 -14.397 -4.636 299 HA2 GLY 47 1HA GLY 47 -2.496 -15.436 -5.890 300 HA3 GLY 47 2HA GLY 47 -3.737 -16.370 -6.712 301 H LYS 48 H LYS 48 -5.268 -13.930 -7.384 302 HA LYS 48 HA LYS 48 -3.789 -13.265 -9.793 303 HB2 LYS 48 1HB LYS 48 -6.610 -12.998 -8.877 304 HB3 LYS 48 2HB LYS 48 -6.041 -11.873 -10.103 305 HG2 LYS 48 1HG LYS 48 -5.180 -14.105 -11.231 306 HG3 LYS 48 2HG LYS 48 -6.486 -14.800 -10.267 307 HD2 LYS 48 1HD LYS 48 -8.112 -13.434 -11.323 308 HD3 LYS 48 2HD LYS 48 -6.874 -12.422 -12.073 309 HE2 LYS 48 1HE LYS 48 -7.755 -13.879 -13.751 310 HE3 LYS 48 2HE LYS 48 -6.123 -14.421 -13.360 311 HZ1 LYS 48 1HZ LYS 48 -8.679 -15.732 -12.886 312 HZ2 LYS 48 2HZ LYS 48 -7.515 -15.902 -11.671 313 HZ3 LYS 48 3HZ LYS 48 -7.169 -16.402 -13.249 314 HA PRO 49 HA PRO 49 -2.288 -9.381 -8.367 315 HB2 PRO 49 1HB PRO 49 -1.985 -8.129 -10.757 316 HB3 PRO 49 2HB PRO 49 -0.904 -9.412 -10.200 317 HG2 PRO 49 1HG PRO 49 -3.209 -9.571 -12.103 318 HG3 PRO 49 2HG PRO 49 -1.608 -10.323 -12.220 319 HD2 PRO 49 1HD PRO 49 -3.800 -11.685 -11.401 320 HD3 PRO 49 2HD PRO 49 -2.172 -12.042 -10.791 321 H ALA 50 H ALA 50 -2.887 -7.195 -8.112 322 HA ALA 50 HA ALA 50 -5.319 -6.237 -9.374 323 HB1 ALA 50 1HB ALA 50 -6.615 -6.977 -7.703 324 HB2 ALA 50 2HB ALA 50 -5.245 -7.237 -6.623 325 HB3 ALA 50 3HB ALA 50 -5.941 -5.625 -6.793 326 H GLU 51 H GLU 51 -5.102 -4.143 -9.817 327 HA GLU 51 HA GLU 51 -3.432 -2.479 -8.069 328 HB2 GLU 51 1HB GLU 51 -2.602 -1.343 -10.205 329 HB3 GLU 51 2HB GLU 51 -1.924 -2.918 -9.816 330 HG2 GLU 51 1HG GLU 51 -3.339 -3.987 -11.434 331 HG3 GLU 51 2HG GLU 51 -4.184 -2.473 -11.751 332 H PHE 52 H PHE 52 -3.658 -0.076 -8.876 333 HA PHE 52 HA PHE 52 -6.353 0.502 -9.825 334 HB2 PHE 52 1HB PHE 52 -6.583 2.168 -7.877 335 HB3 PHE 52 2HB PHE 52 -6.852 0.463 -7.529 336 HD1 PHE 52 1HD PHE 52 -5.115 -0.843 -6.350 337 HD2 PHE 52 2HD PHE 52 -4.806 3.370 -6.875 338 HE1 PHE 52 1HE PHE 52 -3.414 -0.750 -4.575 339 HE2 PHE 52 2HE PHE 52 -3.103 3.469 -5.101 340 HZ PHE 52 HZ PHE 52 -2.404 1.407 -3.950 341 H THR 53 H THR 53 -6.608 3.055 -9.759 342 HA THR 53 HA THR 53 -4.140 4.148 -10.941 343 HB THR 53 HB THR 53 -6.956 5.080 -11.509 344 HG1 THR 53 1HG THR 53 -6.157 2.814 -12.209 345 HG21 THR 53 1HG2 THR 53 -5.191 5.611 -13.634 346 HG22 THR 53 2HG2 THR 53 -4.345 6.081 -12.159 347 HG23 THR 53 3HG2 THR 53 -5.925 6.771 -12.529 348 H ILE 54 H ILE 54 -3.196 5.766 -9.897 349 HA ILE 54 HA ILE 54 -4.745 7.218 -7.862 350 HB ILE 54 HB ILE 54 -1.750 6.945 -8.145 351 HG12 ILE 54 1HG1 ILE 54 -3.659 5.733 -6.134 352 HG13 ILE 54 2HG1 ILE 54 -2.876 4.863 -7.449 353 HG21 ILE 54 1HG2 ILE 54 -3.137 8.015 -5.726 354 HG22 ILE 54 2HG2 ILE 54 -1.479 8.263 -6.271 355 HG23 ILE 54 3HG2 ILE 54 -2.808 9.076 -7.096 356 HD11 ILE 54 1HD1 ILE 54 -1.945 5.194 -4.851 357 HD12 ILE 54 2HD1 ILE 54 -1.062 4.530 -6.227 358 HD13 ILE 54 3HD1 ILE 54 -0.933 6.246 -5.841 359 H ASP 55 H ASP 55 -4.919 9.406 -7.894 360 HA ASP 55 HA ASP 55 -3.888 10.759 -10.290 361 HB2 ASP 55 1HB ASP 55 -6.333 10.781 -10.020 362 HB3 ASP 55 2HB ASP 55 -6.153 11.556 -8.448 363 H THR 56 H THR 56 -1.949 11.611 -9.809 364 HA THR 56 HA THR 56 -1.763 13.291 -7.393 365 HB THR 56 HB THR 56 0.686 12.847 -7.417 366 HG1 THR 56 1HG THR 56 0.000 10.849 -9.334 367 HG21 THR 56 1HG2 THR 56 0.396 11.110 -6.019 368 HG22 THR 56 2HG2 THR 56 -0.364 10.117 -7.262 369 HG23 THR 56 3HG2 THR 56 -1.319 11.305 -6.376 370 H LYS 57 H LYS 57 -2.423 13.750 -10.375 371 HA LYS 57 HA LYS 57 -0.370 15.272 -11.533 372 HB2 LYS 57 1HB LYS 57 -3.353 15.598 -11.903 373 HB3 LYS 57 2HB LYS 57 -2.103 16.188 -12.992 374 HG2 LYS 57 1HG LYS 57 -2.660 14.282 -14.083 375 HG3 LYS 57 2HG LYS 57 -1.427 13.626 -13.003 376 HD2 LYS 57 1HD LYS 57 -2.951 12.523 -11.712 377 HD3 LYS 57 2HD LYS 57 -4.223 13.711 -12.008 378 HE2 LYS 57 1HE LYS 57 -4.666 12.816 -14.166 379 HE3 LYS 57 2HE LYS 57 -3.221 11.807 -14.115 380 HZ1 LYS 57 1HZ LYS 57 -4.194 10.332 -12.667 381 HZ2 LYS 57 2HZ LYS 57 -5.522 10.773 -13.617 382 HZ3 LYS 57 3HZ LYS 57 -5.318 11.453 -12.082 383 H GLY 58 H GLY 58 0.543 17.037 -10.716 384 HA2 GLY 58 1HA GLY 58 0.596 19.292 -10.100 385 HA3 GLY 58 2HA GLY 58 -1.140 19.237 -9.834 386 H ALA 59 H ALA 59 -0.893 16.815 -8.145 387 HA ALA 59 HA ALA 59 -1.067 17.774 -5.652 388 HB1 ALA 59 1HB ALA 59 -0.917 15.274 -6.683 389 HB2 ALA 59 2HB ALA 59 0.563 15.332 -5.725 390 HB3 ALA 59 3HB ALA 59 -0.995 15.638 -4.958 391 H GLY 60 H GLY 60 1.984 17.053 -7.302 392 HA2 GLY 60 1HA GLY 60 3.761 18.749 -6.777 393 HA3 GLY 60 2HA GLY 60 3.396 18.414 -5.091 394 H THR 61 H THR 61 5.394 17.660 -4.508 395 HA THR 61 HA THR 61 6.085 15.013 -5.557 396 HB THR 61 HB THR 61 7.509 16.768 -6.684 397 HG1 THR 61 1HG THR 61 9.532 15.560 -5.949 398 HG21 THR 61 1HG2 THR 61 9.405 17.637 -5.289 399 HG22 THR 61 2HG2 THR 61 8.523 17.095 -3.862 400 HG23 THR 61 3HG2 THR 61 7.833 18.336 -4.906 401 H GLY 62 H GLY 62 7.459 13.764 -4.128 402 HA2 GLY 62 1HA GLY 62 8.518 14.353 -1.720 403 HA3 GLY 62 2HA GLY 62 6.801 14.265 -1.353 404 H GLY 63 H GLY 63 6.666 12.432 -0.178 405 HA2 GLY 63 1HA GLY 63 7.547 9.953 -1.520 406 HA3 GLY 63 2HA GLY 63 7.815 10.207 0.198 407 H LEU 64 H LEU 64 6.206 8.208 -1.405 408 HA LEU 64 HA LEU 64 3.644 8.617 -0.008 409 HB2 LEU 64 1HB LEU 64 3.520 8.734 -2.496 410 HB3 LEU 64 2HB LEU 64 4.080 7.064 -2.553 411 HG LEU 64 HG LEU 64 2.019 6.477 -1.191 412 HD11 LEU 64 1HD1 LEU 64 1.010 9.136 -2.162 413 HD12 LEU 64 2HD1 LEU 64 1.630 8.889 -0.529 414 HD13 LEU 64 3HD1 LEU 64 0.217 7.989 -1.081 415 HD21 LEU 64 1HD2 LEU 64 1.960 7.460 -4.020 416 HD22 LEU 64 2HD2 LEU 64 0.516 6.786 -3.263 417 HD23 LEU 64 3HD2 LEU 64 1.973 5.803 -3.415 418 H GLY 65 H GLY 65 2.967 7.047 1.337 419 HA2 GLY 65 1HA GLY 65 4.618 4.604 1.470 420 HA3 GLY 65 2HA GLY 65 3.822 5.342 2.851 421 H LEU 66 H LEU 66 3.671 2.831 0.735 422 HA LEU 66 HA LEU 66 0.754 2.569 1.054 423 HB2 LEU 66 1HB LEU 66 1.801 2.740 -1.300 424 HB3 LEU 66 2HB LEU 66 2.347 1.090 -1.008 425 HG LEU 66 HG LEU 66 -0.166 0.620 -0.531 426 HD11 LEU 66 1HD1 LEU 66 -0.911 2.928 -0.526 427 HD12 LEU 66 2HD1 LEU 66 -1.672 2.040 -1.846 428 HD13 LEU 66 3HD1 LEU 66 -0.333 3.139 -2.179 429 HD21 LEU 66 1HD2 LEU 66 -0.482 0.550 -3.141 430 HD22 LEU 66 2HD2 LEU 66 0.670 -0.516 -2.335 431 HD23 LEU 66 3HD2 LEU 66 1.236 0.950 -3.137 432 H THR 67 H THR 67 0.242 1.157 2.578 433 HA THR 67 HA THR 67 1.803 -1.327 2.783 434 HB THR 67 HB THR 67 1.367 -1.232 5.290 435 HG1 THR 67 1HG THR 67 0.912 0.787 6.153 436 HG21 THR 67 1HG2 THR 67 3.472 -0.468 5.577 437 HG22 THR 67 2HG2 THR 67 3.145 1.049 4.739 438 HG23 THR 67 3HG2 THR 67 3.493 -0.412 3.815 439 H VAL 68 H VAL 68 0.607 -3.128 2.818 440 HA VAL 68 HA VAL 68 -2.286 -2.873 2.751 441 HB VAL 68 HB VAL 68 -0.467 -5.237 2.292 442 HG11 VAL 68 1HG1 VAL 68 -2.967 -5.876 1.294 443 HG12 VAL 68 2HG1 VAL 68 -2.225 -6.526 2.757 444 HG13 VAL 68 3HG1 VAL 68 -3.310 -5.138 2.858 445 HG21 VAL 68 1HG2 VAL 68 -0.578 -3.380 0.581 446 HG22 VAL 68 2HG2 VAL 68 -0.984 -4.993 -0.006 447 HG23 VAL 68 3HG2 VAL 68 -2.265 -3.830 0.332 448 H GLU 69 H GLU 69 -3.276 -2.772 4.667 449 HA GLU 69 HA GLU 69 -2.231 -4.216 6.959 450 HB2 GLU 69 1HB GLU 69 -4.266 -2.092 6.520 451 HB3 GLU 69 2HB GLU 69 -4.475 -3.131 7.923 452 HG2 GLU 69 1HG GLU 69 -1.837 -1.835 7.408 453 HG3 GLU 69 2HG GLU 69 -3.151 -0.913 8.136 454 H GLY 70 H GLY 70 -2.714 -6.237 5.551 455 HA2 GLY 70 1HA GLY 70 -5.499 -7.102 5.996 456 HA3 GLY 70 2HA GLY 70 -4.423 -7.773 4.780 457 HA PRO 71 HA PRO 71 -4.447 -10.351 8.741 458 HB2 PRO 71 1HB PRO 71 -5.623 -12.563 7.693 459 HB3 PRO 71 2HB PRO 71 -6.541 -11.246 8.433 460 HG2 PRO 71 1HG PRO 71 -6.021 -11.800 5.537 461 HG3 PRO 71 2HG PRO 71 -7.526 -11.295 6.327 462 HD2 PRO 71 1HD PRO 71 -5.925 -9.561 5.001 463 HD3 PRO 71 2HD PRO 71 -6.886 -9.082 6.414 464 H CYS 72 H CYS 72 -3.498 -10.700 5.438 465 HA CYS 72 HA CYS 72 -1.424 -12.629 6.250 466 HB2 CYS 72 1HB CYS 72 -3.203 -12.576 3.870 467 HB3 CYS 72 2HB CYS 72 -1.538 -13.079 3.609 468 HG CYS 72 HG CYS 72 -2.244 -14.806 6.130 469 H GLU 73 H GLU 73 0.403 -12.599 4.470 470 HA GLU 73 HA GLU 73 1.221 -9.789 4.231 471 HB2 GLU 73 1HB GLU 73 2.794 -11.052 5.497 472 HB3 GLU 73 2HB GLU 73 2.793 -12.360 4.323 473 HG2 GLU 73 1HG GLU 73 3.869 -10.894 2.689 474 HG3 GLU 73 2HG GLU 73 3.882 -9.590 3.876 475 H ALA 74 H ALA 74 0.151 -9.276 2.313 476 HA ALA 74 HA ALA 74 0.736 -10.845 -0.074 477 HB1 ALA 74 1HB ALA 74 -0.786 -8.380 -0.441 478 HB2 ALA 74 2HB ALA 74 -1.171 -10.034 -0.917 479 HB3 ALA 74 3HB ALA 74 -1.502 -9.490 0.728 480 H LYS 75 H LYS 75 2.081 -10.230 -1.674 481 HA LYS 75 HA LYS 75 4.064 -8.296 -1.193 482 HB2 LYS 75 1HB LYS 75 3.995 -10.380 -2.803 483 HB3 LYS 75 2HB LYS 75 3.436 -9.195 -3.976 484 HG2 LYS 75 1HG LYS 75 5.696 -9.165 -4.345 485 HG3 LYS 75 2HG LYS 75 5.524 -7.846 -3.185 486 HD2 LYS 75 1HD LYS 75 7.342 -9.083 -2.385 487 HD3 LYS 75 2HD LYS 75 5.985 -9.619 -1.391 488 HE2 LYS 75 1HE LYS 75 5.707 -11.532 -3.006 489 HE3 LYS 75 2HE LYS 75 7.239 -11.044 -3.730 490 HZ1 LYS 75 1HZ LYS 75 7.787 -12.694 -2.193 491 HZ2 LYS 75 2HZ LYS 75 6.751 -12.081 -1.005 492 HZ3 LYS 75 3HZ LYS 75 8.172 -11.252 -1.396 493 H ILE 76 H ILE 76 4.517 -6.337 -2.328 494 HA ILE 76 HA ILE 76 2.227 -5.079 -3.663 495 HB ILE 76 HB ILE 76 3.835 -3.725 -1.494 496 HG12 ILE 76 1HG1 ILE 76 0.923 -4.525 -1.415 497 HG13 ILE 76 2HG1 ILE 76 2.209 -5.512 -0.730 498 HG21 ILE 76 1HG2 ILE 76 1.796 -2.098 -1.798 499 HG22 ILE 76 2HG2 ILE 76 3.206 -1.989 -2.850 500 HG23 ILE 76 3HG2 ILE 76 1.749 -2.809 -3.411 501 HD11 ILE 76 1HD1 ILE 76 1.286 -4.285 1.051 502 HD12 ILE 76 2HD1 ILE 76 2.824 -3.509 0.671 503 HD13 ILE 76 3HD1 ILE 76 1.311 -2.782 0.129 504 H GLU 77 H GLU 77 2.879 -4.415 -5.591 505 HA GLU 77 HA GLU 77 5.686 -3.606 -5.938 506 HB2 GLU 77 1HB GLU 77 3.696 -4.927 -7.721 507 HB3 GLU 77 2HB GLU 77 4.902 -3.884 -8.461 508 HG2 GLU 77 1HG GLU 77 5.825 -5.938 -6.528 509 HG3 GLU 77 2HG GLU 77 5.307 -6.465 -8.128 510 H CYS 78 H CYS 78 5.751 -1.458 -5.570 511 HA CYS 78 HA CYS 78 3.660 0.294 -6.529 512 HB2 CYS 78 1HB CYS 78 5.039 2.089 -5.509 513 HB3 CYS 78 2HB CYS 78 4.667 0.791 -4.382 514 HG CYS 78 HG CYS 78 7.092 0.286 -3.722 515 H SER 79 H SER 79 3.737 0.168 -8.764 516 HA SER 79 HA SER 79 6.226 0.727 -10.148 517 HB2 SER 79 1HB SER 79 3.521 -0.228 -10.918 518 HB3 SER 79 2HB SER 79 4.420 0.673 -12.139 519 HG SER 79 HG SER 79 4.756 -1.673 -12.082 520 H ASP 80 H ASP 80 6.584 2.504 -11.503 521 HA ASP 80 HA ASP 80 4.863 4.828 -10.935 522 HB2 ASP 80 1HB ASP 80 7.838 4.590 -11.310 523 HB3 ASP 80 2HB ASP 80 7.014 6.127 -11.562 524 H ASN 81 H ASN 81 4.119 6.057 -12.596 525 HA ASN 81 HA ASN 81 4.497 4.966 -15.280 526 HB2 ASN 81 1HB ASN 81 2.518 7.029 -14.285 527 HB3 ASN 81 2HB ASN 81 2.534 6.304 -15.890 528 HD21 ASN 81 1HD2 ASN 81 0.920 6.252 -13.135 529 HD22 ASN 81 2HD2 ASN 81 0.405 4.603 -13.083 530 H GLY 82 H GLY 82 4.645 8.079 -13.568 531 HA2 GLY 82 1HA GLY 82 6.470 9.597 -13.980 532 HA3 GLY 82 2HA GLY 82 6.531 9.005 -15.633 533 H ASP 83 H ASP 83 3.425 9.160 -15.442 534 HA ASP 83 HA ASP 83 3.307 11.924 -16.394 535 HB2 ASP 83 1HB ASP 83 2.393 9.840 -17.667 536 HB3 ASP 83 2HB ASP 83 1.027 9.979 -16.564 537 H GLY 84 H GLY 84 3.358 11.044 -13.508 538 HA2 GLY 84 1HA GLY 84 2.498 12.089 -11.616 539 HA3 GLY 84 2HA GLY 84 1.269 12.840 -12.623 540 H THR 85 H THR 85 1.863 9.393 -12.606 541 HA THR 85 HA THR 85 -0.508 8.950 -10.943 542 HB THR 85 HB THR 85 -1.302 7.206 -12.571 543 HG1 THR 85 1HG THR 85 -0.387 7.075 -14.536 544 HG21 THR 85 1HG2 THR 85 -1.242 10.028 -13.648 545 HG22 THR 85 2HG2 THR 85 -2.341 9.444 -12.398 546 HG23 THR 85 3HG2 THR 85 -2.429 8.782 -14.030 547 H CYS 86 H CYS 86 -0.720 6.715 -10.209 548 HA CYS 86 HA CYS 86 1.834 5.250 -10.240 549 HB2 CYS 86 1HB CYS 86 0.050 5.878 -7.892 550 HB3 CYS 86 2HB CYS 86 1.222 4.566 -7.852 551 HG CYS 86 HG CYS 86 3.435 6.239 -8.249 552 H SER 87 H SER 87 1.714 3.102 -10.583 553 HA SER 87 HA SER 87 -0.975 1.898 -10.685 554 HB2 SER 87 1HB SER 87 1.303 1.781 -12.612 555 HB3 SER 87 2HB SER 87 0.286 0.351 -12.438 556 HG SER 87 HG SER 87 -0.613 1.618 -14.023 557 H VAL 88 H VAL 88 -0.336 1.446 -8.372 558 HA VAL 88 HA VAL 88 1.683 -0.537 -7.896 559 HB VAL 88 HB VAL 88 -0.543 0.399 -6.079 560 HG11 VAL 88 1HG1 VAL 88 1.895 -0.569 -4.835 561 HG12 VAL 88 2HG1 VAL 88 0.214 -0.995 -4.512 562 HG13 VAL 88 3HG1 VAL 88 1.098 -1.808 -5.804 563 HG21 VAL 88 1HG2 VAL 88 2.070 1.539 -6.813 564 HG22 VAL 88 2HG2 VAL 88 0.621 2.328 -6.189 565 HG23 VAL 88 3HG2 VAL 88 1.717 1.497 -5.085 566 H SER 89 H SER 89 1.490 -2.695 -7.831 567 HA SER 89 HA SER 89 -1.214 -3.843 -8.069 568 HB2 SER 89 1HB SER 89 -0.147 -5.663 -9.439 569 HB3 SER 89 2HB SER 89 -0.141 -4.077 -10.210 570 HG SER 89 HG SER 89 1.990 -5.511 -9.065 571 H TYR 90 H TYR 90 -1.739 -5.345 -6.613 572 HA TYR 90 HA TYR 90 0.426 -6.513 -4.989 573 HB2 TYR 90 1HB TYR 90 -1.021 -6.478 -3.072 574 HB3 TYR 90 2HB TYR 90 -1.026 -4.867 -3.779 575 HD1 TYR 90 2HD TYR 90 -2.997 -7.910 -3.216 576 HD2 TYR 90 1HD TYR 90 -3.019 -3.963 -4.803 577 HE1 TYR 90 2HE TYR 90 -5.453 -7.979 -3.337 578 HE2 TYR 90 1HE TYR 90 -5.475 -4.020 -4.928 579 HH TYR 90 HH TYR 90 -7.342 -5.192 -3.926 580 H LEU 91 H LEU 91 0.127 -8.663 -4.235 581 HA LEU 91 HA LEU 91 -1.894 -10.206 -5.723 582 HB2 LEU 91 1HB LEU 91 1.034 -10.584 -5.492 583 HB3 LEU 91 2HB LEU 91 0.034 -12.034 -5.442 584 HG LEU 91 HG LEU 91 -0.374 -10.092 -7.666 585 HD11 LEU 91 1HD1 LEU 91 2.019 -11.834 -7.273 586 HD12 LEU 91 2HD1 LEU 91 1.914 -10.198 -7.923 587 HD13 LEU 91 3HD1 LEU 91 1.376 -11.569 -8.894 588 HD21 LEU 91 1HD2 LEU 91 -1.889 -11.831 -7.778 589 HD22 LEU 91 2HD2 LEU 91 -0.734 -13.018 -7.171 590 HD23 LEU 91 3HD2 LEU 91 -0.590 -12.410 -8.822 591 HA PRO 92 HA PRO 92 -2.793 -11.214 -1.414 592 HB2 PRO 92 1HB PRO 92 -5.247 -12.247 -1.945 593 HB3 PRO 92 2HB PRO 92 -4.944 -10.511 -1.808 594 HG2 PRO 92 1HG PRO 92 -5.187 -12.202 -4.266 595 HG3 PRO 92 2HG PRO 92 -5.862 -10.594 -3.943 596 HD2 PRO 92 1HD PRO 92 -3.623 -10.965 -5.420 597 HD3 PRO 92 2HD PRO 92 -3.872 -9.528 -4.408 598 H THR 93 H THR 93 -3.524 -13.268 -0.358 599 HA THR 93 HA THR 93 -2.721 -15.635 -1.917 600 HB THR 93 HB THR 93 -0.887 -15.096 -0.427 601 HG1 THR 93 1HG THR 93 -1.132 -17.085 0.984 602 HG21 THR 93 1HG2 THR 93 -1.071 -14.681 1.845 603 HG22 THR 93 2HG2 THR 93 -2.634 -15.487 1.971 604 HG23 THR 93 3HG2 THR 93 -2.520 -13.898 1.215 605 H LYS 94 H LYS 94 -4.756 -14.249 0.553 606 HA LYS 94 HA LYS 94 -6.507 -16.592 0.363 607 HB2 LYS 94 1HB LYS 94 -6.785 -16.808 2.687 608 HB3 LYS 94 2HB LYS 94 -5.050 -16.626 2.466 609 HG2 LYS 94 1HG LYS 94 -5.200 -14.280 3.092 610 HG3 LYS 94 2HG LYS 94 -6.949 -14.433 3.278 611 HD2 LYS 94 1HD LYS 94 -5.202 -16.304 4.795 612 HD3 LYS 94 2HD LYS 94 -5.306 -14.630 5.344 613 HE2 LYS 94 1HE LYS 94 -7.045 -15.522 6.521 614 HE3 LYS 94 2HE LYS 94 -7.895 -15.072 5.044 615 HZ1 LYS 94 1HZ LYS 94 -6.756 -17.771 5.507 616 HZ2 LYS 94 2HZ LYS 94 -7.813 -17.296 4.275 617 HZ3 LYS 94 3HZ LYS 94 -8.357 -17.363 5.875 618 HA PRO 95 HA PRO 95 -9.659 -13.575 -0.199 619 HB2 PRO 95 1HB PRO 95 -11.820 -15.040 0.546 620 HB3 PRO 95 2HB PRO 95 -10.965 -15.297 -0.980 621 HG2 PRO 95 1HG PRO 95 -10.741 -16.808 1.594 622 HG3 PRO 95 2HG PRO 95 -10.811 -17.429 -0.065 623 HD2 PRO 95 1HD PRO 95 -8.488 -17.202 1.308 624 HD3 PRO 95 2HD PRO 95 -8.579 -17.002 -0.454 625 H GLY 96 H GLY 96 -10.184 -11.891 1.040 626 HA2 GLY 96 1HA GLY 96 -11.583 -12.091 3.481 627 HA3 GLY 96 2HA GLY 96 -9.880 -11.823 3.820 628 H GLU 97 H GLU 97 -9.366 -9.772 4.133 629 HA GLU 97 HA GLU 97 -10.472 -7.713 2.404 630 HB2 GLU 97 1HB GLU 97 -10.739 -7.558 5.412 631 HB3 GLU 97 2HB GLU 97 -11.178 -6.294 4.272 632 HG2 GLU 97 1HG GLU 97 -13.220 -7.220 4.658 633 HG3 GLU 97 2HG GLU 97 -12.707 -8.171 3.265 634 H TYR 98 H TYR 98 -8.856 -6.456 1.779 635 HA TYR 98 HA TYR 98 -6.537 -6.151 3.572 636 HB2 TYR 98 1HB TYR 98 -6.578 -6.094 0.548 637 HB3 TYR 98 2HB TYR 98 -5.154 -5.878 1.560 638 HD1 TYR 98 1HD TYR 98 -7.736 -8.314 0.516 639 HD2 TYR 98 2HD TYR 98 -3.982 -7.744 2.435 640 HE1 TYR 98 1HE TYR 98 -7.365 -10.745 0.499 641 HE2 TYR 98 2HE TYR 98 -3.599 -10.173 2.422 642 HH TYR 98 HH TYR 98 -5.082 -12.269 2.347 643 H PHE 99 H PHE 99 -6.278 -4.178 4.353 644 HA PHE 99 HA PHE 99 -7.615 -1.930 3.054 645 HB2 PHE 99 1HB PHE 99 -6.344 -2.255 5.774 646 HB3 PHE 99 2HB PHE 99 -6.954 -0.715 5.177 647 HD1 PHE 99 1HD PHE 99 -9.329 -0.326 4.932 648 HD2 PHE 99 2HD PHE 99 -7.847 -4.039 6.392 649 HE1 PHE 99 1HE PHE 99 -11.582 -0.906 5.735 650 HE2 PHE 99 2HE PHE 99 -10.097 -4.625 7.197 651 HZ PHE 99 HZ PHE 99 -11.968 -3.059 6.868 652 H VAL 100 H VAL 100 -6.492 -0.840 1.589 653 HA VAL 100 HA VAL 100 -3.596 -0.830 1.623 654 HB VAL 100 HB VAL 100 -5.470 0.578 -0.283 655 HG11 VAL 100 1HG1 VAL 100 -3.500 0.555 -1.786 656 HG12 VAL 100 2HG1 VAL 100 -3.255 1.529 -0.334 657 HG13 VAL 100 3HG1 VAL 100 -2.531 -0.075 -0.454 658 HG21 VAL 100 1HG2 VAL 100 -5.217 -2.139 0.051 659 HG22 VAL 100 2HG2 VAL 100 -5.776 -1.328 -1.412 660 HG23 VAL 100 3HG2 VAL 100 -4.082 -1.793 -1.254 661 H ASN 101 H ASN 101 -2.665 0.502 3.050 662 HA ASN 101 HA ASN 101 -3.858 3.017 3.794 663 HB2 ASN 101 1HB ASN 101 -1.217 1.736 4.526 664 HB3 ASN 101 2HB ASN 101 -1.788 3.265 5.188 665 HD21 ASN 101 1HD2 ASN 101 -2.600 -0.150 4.869 666 HD22 ASN 101 2HD2 ASN 101 -3.496 -0.259 6.342 667 H ILE 102 H ILE 102 -3.735 4.721 2.496 668 HA ILE 102 HA ILE 102 -1.269 5.130 0.937 669 HB ILE 102 HB ILE 102 -4.036 6.196 0.358 670 HG12 ILE 102 1HG1 ILE 102 -2.444 4.080 -1.106 671 HG13 ILE 102 2HG1 ILE 102 -3.765 3.740 0.007 672 HG21 ILE 102 1HG2 ILE 102 -1.578 7.214 -0.416 673 HG22 ILE 102 2HG2 ILE 102 -2.111 6.268 -1.805 674 HG23 ILE 102 3HG2 ILE 102 -3.139 7.551 -1.165 675 HD11 ILE 102 1HD1 ILE 102 -3.830 4.810 -2.750 676 HD12 ILE 102 2HD1 ILE 102 -4.900 3.658 -1.949 677 HD13 ILE 102 3HD1 ILE 102 -5.055 5.383 -1.618 678 H LEU 103 H LEU 103 0.008 6.571 1.891 679 HA LEU 103 HA LEU 103 -1.198 9.065 2.873 680 HB2 LEU 103 1HB LEU 103 0.851 8.915 4.548 681 HB3 LEU 103 2HB LEU 103 -0.728 8.226 4.921 682 HG LEU 103 HG LEU 103 0.339 6.061 3.863 683 HD11 LEU 103 1HD1 LEU 103 2.782 6.038 4.707 684 HD12 LEU 103 2HD1 LEU 103 2.680 7.791 4.549 685 HD13 LEU 103 3HD1 LEU 103 2.423 6.763 3.140 686 HD21 LEU 103 1HD2 LEU 103 -0.203 6.954 6.408 687 HD22 LEU 103 2HD2 LEU 103 1.481 6.439 6.514 688 HD23 LEU 103 3HD2 LEU 103 0.246 5.307 5.961 689 H PHE 104 H PHE 104 -0.270 10.849 2.095 690 HA PHE 104 HA PHE 104 2.230 10.551 0.588 691 HB2 PHE 104 1HB PHE 104 0.035 11.502 -0.428 692 HB3 PHE 104 2HB PHE 104 0.449 12.966 0.459 693 HD1 PHE 104 1HD PHE 104 2.380 10.503 -1.578 694 HD2 PHE 104 2HD PHE 104 1.330 14.573 -0.909 695 HE1 PHE 104 1HE PHE 104 3.870 11.185 -3.413 696 HE2 PHE 104 2HE PHE 104 2.818 15.262 -2.743 697 HZ PHE 104 HZ PHE 104 4.090 13.567 -3.998 698 H GLU 105 H GLU 105 3.978 11.044 1.739 699 HA GLU 105 HA GLU 105 5.447 12.172 3.059 700 HB2 GLU 105 1HB GLU 105 3.533 14.407 2.407 701 HB3 GLU 105 2HB GLU 105 4.970 14.657 3.389 702 HG2 GLU 105 1HG GLU 105 5.278 13.343 0.743 703 HG3 GLU 105 2HG GLU 105 4.978 15.079 0.795 704 H GLU 106 H GLU 106 3.666 10.583 4.394 705 HA GLU 106 HA GLU 106 2.989 10.125 6.521 706 HB2 GLU 106 1HB GLU 106 3.937 12.861 7.348 707 HB3 GLU 106 2HB GLU 106 3.801 11.413 8.335 708 HG2 GLU 106 1HG GLU 106 5.585 10.407 6.839 709 HG3 GLU 106 2HG GLU 106 5.835 12.039 6.223 710 H VAL 107 H VAL 107 1.277 11.443 4.574 711 HA VAL 107 HA VAL 107 -0.685 12.583 6.445 712 HB VAL 107 HB VAL 107 -0.326 13.595 3.626 713 HG11 VAL 107 1HG1 VAL 107 -2.299 14.547 3.991 714 HG12 VAL 107 2HG1 VAL 107 -2.336 13.927 5.643 715 HG13 VAL 107 3HG1 VAL 107 -1.570 15.479 5.299 716 HG21 VAL 107 1HG2 VAL 107 1.633 14.048 5.187 717 HG22 VAL 107 2HG2 VAL 107 0.880 15.450 4.428 718 HG23 VAL 107 3HG2 VAL 107 0.522 15.060 6.110 719 H HIS 108 H HIS 108 -2.273 11.136 6.536 720 HA HIS 108 HA HIS 108 -2.832 9.212 4.560 721 HB2 HIS 108 1HB HIS 108 -4.147 10.146 7.057 722 HB3 HIS 108 2HB HIS 108 -5.141 9.241 5.920 723 HD1 HIS 108 1HD HIS 108 -4.984 6.765 6.059 724 HD2 HIS 108 2HD HIS 108 -1.748 8.642 7.868 725 HE1 HIS 108 1HE HIS 108 -3.661 4.924 7.148 726 HE2 HIS 108 2HE HIS 108 -1.755 6.093 8.307 727 H ILE 109 H ILE 109 -3.701 9.513 2.628 728 HA ILE 109 HA ILE 109 -4.919 11.920 1.805 729 HB ILE 109 HB ILE 109 -5.435 10.794 -0.275 730 HG12 ILE 109 1HG1 ILE 109 -4.391 8.193 0.779 731 HG13 ILE 109 2HG1 ILE 109 -6.073 8.622 1.070 732 HG21 ILE 109 1HG2 ILE 109 -3.136 11.497 0.073 733 HG22 ILE 109 2HG2 ILE 109 -2.759 9.949 0.827 734 HG23 ILE 109 3HG2 ILE 109 -3.187 10.016 -0.882 735 HD11 ILE 109 1HD1 ILE 109 -5.577 7.198 -0.961 736 HD12 ILE 109 2HD1 ILE 109 -6.573 8.631 -1.220 737 HD13 ILE 109 3HD1 ILE 109 -4.870 8.646 -1.676 738 HA PRO 110 HA PRO 110 -9.125 11.450 2.981 739 HB2 PRO 110 1HB PRO 110 -10.360 12.783 0.963 740 HB3 PRO 110 2HB PRO 110 -9.439 13.600 2.233 741 HG2 PRO 110 1HG PRO 110 -8.606 12.891 -0.554 742 HG3 PRO 110 2HG PRO 110 -8.325 14.390 0.351 743 HD2 PRO 110 1HD PRO 110 -6.427 12.478 0.072 744 HD3 PRO 110 2HD PRO 110 -6.549 13.499 1.519 745 H GLY 111 H GLY 111 -9.099 9.107 2.613 746 HA2 GLY 111 1HA GLY 111 -11.187 8.018 1.372 747 HA3 GLY 111 2HA GLY 111 -10.068 8.181 0.026 748 H SER 112 H SER 112 -7.959 7.745 2.334 749 HA SER 112 HA SER 112 -7.988 4.822 2.044 750 HB2 SER 112 1HB SER 112 -5.690 4.846 1.990 751 HB3 SER 112 2HB SER 112 -6.002 6.458 1.347 752 HG SER 112 HG SER 112 -5.385 5.788 4.036 753 HA PRO 113 HA PRO 113 -6.396 3.293 2.985 754 HB2 PRO 113 1HB PRO 113 -7.298 0.994 4.113 755 HB3 PRO 113 2HB PRO 113 -5.886 1.870 4.716 756 HG2 PRO 113 1HG PRO 113 -8.702 1.887 5.732 757 HG3 PRO 113 2HG PRO 113 -7.183 1.815 6.645 758 HD2 PRO 113 1HD PRO 113 -8.596 4.106 6.346 759 HD3 PRO 113 2HD PRO 113 -6.826 4.086 6.472 760 H PHE 114 H PHE 114 -7.293 1.460 1.645 761 HA PHE 114 HA PHE 114 -10.123 1.984 1.012 762 HB2 PHE 114 1HB PHE 114 -7.789 1.329 -0.781 763 HB3 PHE 114 2HB PHE 114 -9.457 1.157 -1.316 764 HD1 PHE 114 1HD PHE 114 -7.088 3.635 0.120 765 HD2 PHE 114 2HD PHE 114 -10.577 2.968 -2.226 766 HE1 PHE 114 1HE PHE 114 -7.134 6.020 -0.483 767 HE2 PHE 114 2HE PHE 114 -10.628 5.352 -2.833 768 HZ PHE 114 HZ PHE 114 -8.905 6.881 -1.962 769 H LYS 115 H LYS 115 -11.170 0.373 2.055 770 HA LYS 115 HA LYS 115 -10.258 -2.226 2.479 771 HB2 LYS 115 1HB LYS 115 -12.173 -1.198 3.664 772 HB3 LYS 115 2HB LYS 115 -13.125 -1.306 2.189 773 HG2 LYS 115 1HG LYS 115 -12.525 -3.847 2.344 774 HG3 LYS 115 2HG LYS 115 -12.252 -3.463 4.045 775 HD2 LYS 115 1HD LYS 115 -14.783 -2.727 2.592 776 HD3 LYS 115 2HD LYS 115 -14.576 -4.266 3.432 777 HE2 LYS 115 1HE LYS 115 -14.018 -2.962 5.495 778 HE3 LYS 115 2HE LYS 115 -14.466 -1.498 4.621 779 HZ1 LYS 115 1HZ LYS 115 -16.159 -2.990 6.081 780 HZ2 LYS 115 2HZ LYS 115 -16.447 -3.593 4.527 781 HZ3 LYS 115 3HZ LYS 115 -16.632 -1.941 4.841 782 H ALA 116 H ALA 116 -9.791 -3.758 1.059 783 HA ALA 116 HA ALA 116 -11.292 -3.838 -1.476 784 HB1 ALA 116 1HB ALA 116 -8.447 -4.067 -0.869 785 HB2 ALA 116 2HB ALA 116 -9.050 -5.351 -1.918 786 HB3 ALA 116 3HB ALA 116 -9.257 -3.662 -2.383 787 H ASP 117 H ASP 117 -12.872 -5.302 -1.208 788 HA ASP 117 HA ASP 117 -12.558 -7.650 0.406 789 HB2 ASP 117 1HB ASP 117 -14.727 -6.377 -0.001 790 HB3 ASP 117 2HB ASP 117 -14.762 -7.136 -1.590 791 H ILE 118 H ILE 118 -11.353 -9.306 -0.234 792 HA ILE 118 HA ILE 118 -11.044 -9.885 -3.074 793 HB ILE 118 HB ILE 118 -9.688 -11.079 -0.655 794 HG12 ILE 118 1HG1 ILE 118 -9.016 -8.775 -1.106 795 HG13 ILE 118 2HG1 ILE 118 -7.705 -9.879 -1.509 796 HG21 ILE 118 1HG2 ILE 118 -9.674 -12.801 -2.237 797 HG22 ILE 118 2HG2 ILE 118 -9.442 -11.685 -3.582 798 HG23 ILE 118 3HG2 ILE 118 -8.119 -11.997 -2.458 799 HD11 ILE 118 1HD1 ILE 118 -7.599 -8.960 -3.512 800 HD12 ILE 118 2HD1 ILE 118 -9.233 -9.536 -3.847 801 HD13 ILE 118 3HD1 ILE 118 -8.987 -7.937 -3.145 802 H GLU 119 H GLU 119 -11.785 -11.688 -4.083 803 HA GLU 119 HA GLU 119 -13.365 -13.575 -2.461 804 HB2 GLU 119 1HB GLU 119 -13.966 -12.668 -5.282 805 HB3 GLU 119 2HB GLU 119 -14.918 -13.799 -4.331 806 HG2 GLU 119 1HG GLU 119 -15.464 -12.046 -2.747 807 HG3 GLU 119 2HG GLU 119 -14.463 -10.905 -3.642 808 H MET 120 H MET 120 -13.518 -15.748 -3.292 809 HA MET 120 HA MET 120 -11.011 -16.679 -4.322 810 HB2 MET 120 1HB MET 120 -13.572 -18.053 -3.533 811 HB3 MET 120 2HB MET 120 -12.224 -18.935 -4.238 812 HG2 MET 120 1HG MET 120 -10.869 -17.761 -2.326 813 HG3 MET 120 2HG MET 120 -12.458 -17.633 -1.576 814 HE1 MET 120 1HE MET 120 -9.554 -19.007 -1.363 815 HE2 MET 120 2HE MET 120 -10.103 -19.974 0.007 816 HE3 MET 120 3HE MET 120 -9.534 -20.768 -1.462 817 HA PRO 121 HA PRO 121 -12.084 -16.540 -8.611 818 HB2 PRO 121 1HB PRO 121 -10.037 -18.068 -9.530 819 HB3 PRO 121 2HB PRO 121 -9.825 -16.394 -9.004 820 HG2 PRO 121 1HG PRO 121 -9.270 -18.933 -7.517 821 HG3 PRO 121 2HG PRO 121 -8.294 -17.455 -7.611 822 HD2 PRO 121 1HD PRO 121 -9.880 -18.022 -5.490 823 HD3 PRO 121 2HD PRO 121 -9.573 -16.361 -6.035 824 H PHE 122 H PHE 122 -12.673 -17.985 -10.358 825 HA PHE 122 HA PHE 122 -13.858 -20.454 -9.344 826 HB2 PHE 122 1HB PHE 122 -14.295 -18.863 -11.873 827 HB3 PHE 122 2HB PHE 122 -15.040 -20.433 -11.589 828 HD1 PHE 122 2HD PHE 122 -14.690 -17.072 -10.024 829 HD2 PHE 122 1HD PHE 122 -17.106 -20.533 -10.573 830 HE1 PHE 122 2HE PHE 122 -16.531 -15.974 -8.818 831 HE2 PHE 122 1HE PHE 122 -18.952 -19.440 -9.369 832 HZ PHE 122 HZ PHE 122 -18.666 -17.157 -8.489 833 H ASP 123 H ASP 123 -12.973 -22.369 -9.714 834 HA ASP 123 HA ASP 123 -10.557 -22.873 -10.855 835 HB2 ASP 123 1HB ASP 123 -12.743 -24.901 -11.191 836 HB3 ASP 123 2HB ASP 123 -11.058 -25.147 -10.741 837 HA PRO 124 HA PRO 124 -10.914 -22.416 -15.210 838 HB2 PRO 124 1HB PRO 124 -8.965 -24.122 -16.020 839 HB3 PRO 124 2HB PRO 124 -8.622 -22.558 -15.271 840 HG2 PRO 124 1HG PRO 124 -8.628 -25.287 -14.040 841 HG3 PRO 124 2HG PRO 124 -7.469 -23.964 -13.821 842 HD2 PRO 124 1HD PRO 124 -9.416 -24.508 -12.020 843 HD3 PRO 124 2HD PRO 124 -8.820 -22.862 -12.314 844 H SER 125 H SER 125 -11.031 -25.630 -13.796 845 HA SER 125 HA SER 125 -11.607 -27.278 -15.865 846 HB2 SER 125 1HB SER 125 -12.830 -27.143 -13.115 847 HB3 SER 125 2HB SER 125 -13.266 -28.416 -14.255 848 HG SER 125 HG SER 125 -10.762 -28.530 -14.372 849 H SER 126 H SER 126 -13.403 -27.878 -17.073 850 HA SER 126 HA SER 126 -15.671 -25.998 -17.011 851 HB2 SER 126 1HB SER 126 -15.784 -26.085 -19.444 852 HB3 SER 126 2HB SER 126 -14.176 -25.562 -18.945 853 HG SER 126 HG SER 126 -14.108 -27.165 -20.586 854 H GLY 127 H GLY 127 -15.572 -28.474 -15.645 855 HA2 GLY 127 1HA GLY 127 -17.258 -30.052 -15.262 856 HA3 GLY 127 2HA GLY 127 -17.871 -29.757 -16.882 857 HA PRO 128 HA PRO 128 -15.127 -33.666 -16.527 858 HB2 PRO 128 1HB PRO 128 -17.058 -35.552 -16.238 859 HB3 PRO 128 2HB PRO 128 -16.261 -34.776 -14.865 860 HG2 PRO 128 1HG PRO 128 -18.922 -34.174 -16.097 861 HG3 PRO 128 2HG PRO 128 -18.479 -34.272 -14.383 862 HD2 PRO 128 1HD PRO 128 -18.736 -31.914 -15.689 863 HD3 PRO 128 2HD PRO 128 -17.577 -32.151 -14.365 864 H SER 129 H SER 129 -18.152 -32.868 -18.100 865 HA SER 129 HA SER 129 -18.129 -34.798 -20.134 866 HB2 SER 129 1HB SER 129 -19.639 -33.273 -21.344 867 HB3 SER 129 2HB SER 129 -20.094 -33.409 -19.645 868 HG SER 129 HG SER 129 -19.895 -31.330 -19.563 869 H SER 130 H SER 130 -16.619 -35.136 -21.611 870 HA SER 130 HA SER 130 -15.269 -32.806 -22.804 871 HB2 SER 130 1HB SER 130 -14.069 -35.419 -21.891 872 HB3 SER 130 2HB SER 130 -13.258 -34.372 -23.056 873 HG SER 130 HG SER 130 -13.067 -32.808 -21.529 874 H GLY 131 H GLY 131 -14.657 -33.005 -24.999 875 HA2 GLY 131 1HA GLY 131 -14.749 -35.094 -26.707 876 HA3 GLY 131 2HA GLY 131 -16.449 -34.690 -26.522 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -25.484 -14.482 -40.199 2 HA2 GLY 1 1HA GLY 1 -22.699 -13.844 -40.957 3 HA3 GLY 1 2HA GLY 1 -23.986 -12.647 -40.998 4 H SER 2 H SER 2 -21.727 -12.102 -39.589 5 HA SER 2 HA SER 2 -22.782 -11.918 -36.885 6 HB2 SER 2 1HB SER 2 -20.193 -13.303 -37.572 7 HB3 SER 2 2HB SER 2 -20.477 -12.599 -35.981 8 HG SER 2 HG SER 2 -22.567 -13.948 -36.247 9 H SER 3 H SER 3 -21.048 -10.635 -35.509 10 HA SER 3 HA SER 3 -19.943 -8.490 -37.198 11 HB2 SER 3 1HB SER 3 -21.510 -8.185 -34.626 12 HB3 SER 3 2HB SER 3 -20.627 -6.874 -35.410 13 HG SER 3 HG SER 3 -21.984 -7.058 -37.182 14 H GLY 4 H GLY 4 -18.544 -6.984 -35.653 15 HA2 GLY 4 1HA GLY 4 -16.573 -8.790 -34.461 16 HA3 GLY 4 2HA GLY 4 -16.298 -7.118 -34.927 17 H SER 5 H SER 5 -15.271 -6.947 -32.815 18 HA SER 5 HA SER 5 -17.064 -5.843 -30.884 19 HB2 SER 5 1HB SER 5 -16.535 -7.363 -29.030 20 HB3 SER 5 2HB SER 5 -17.334 -8.231 -30.340 21 HG SER 5 HG SER 5 -15.670 -9.500 -30.263 22 H SER 6 H SER 6 -15.986 -4.684 -29.235 23 HA SER 6 HA SER 6 -13.115 -4.705 -29.066 24 HB2 SER 6 1HB SER 6 -12.717 -2.459 -29.858 25 HB3 SER 6 2HB SER 6 -13.554 -3.350 -31.130 26 HG SER 6 HG SER 6 -14.382 -1.193 -30.668 27 H GLY 7 H GLY 7 -12.365 -2.836 -27.600 28 HA2 GLY 7 1HA GLY 7 -14.358 -2.573 -25.441 29 HA3 GLY 7 2HA GLY 7 -12.619 -2.622 -25.199 30 H ASP 8 H ASP 8 -11.557 -0.750 -25.020 31 HA ASP 8 HA ASP 8 -12.453 1.652 -26.314 32 HB2 ASP 8 1HB ASP 8 -12.554 2.875 -24.029 33 HB3 ASP 8 2HB ASP 8 -13.959 1.951 -24.555 34 H VAL 9 H VAL 9 -11.045 3.559 -25.595 35 HA VAL 9 HA VAL 9 -8.362 2.619 -24.830 36 HB VAL 9 HB VAL 9 -8.976 4.594 -27.033 37 HG11 VAL 9 1HG1 VAL 9 -6.973 5.391 -26.315 38 HG12 VAL 9 2HG1 VAL 9 -6.491 3.852 -25.598 39 HG13 VAL 9 3HG1 VAL 9 -6.382 4.086 -27.343 40 HG21 VAL 9 1HG2 VAL 9 -8.522 1.704 -27.000 41 HG22 VAL 9 2HG2 VAL 9 -9.251 2.723 -28.240 42 HG23 VAL 9 3HG2 VAL 9 -7.496 2.579 -28.136 43 H THR 10 H THR 10 -7.202 3.940 -23.505 44 HA THR 10 HA THR 10 -8.622 5.928 -22.039 45 HB THR 10 HB THR 10 -6.470 6.295 -20.855 46 HG1 THR 10 1HG THR 10 -5.459 4.264 -22.580 47 HG21 THR 10 1HG2 THR 10 -6.231 3.920 -20.019 48 HG22 THR 10 2HG2 THR 10 -7.410 3.459 -21.246 49 HG23 THR 10 3HG2 THR 10 -7.862 4.586 -19.968 50 H TYR 11 H TYR 11 -8.715 8.065 -22.323 51 HA TYR 11 HA TYR 11 -7.349 9.231 -24.599 52 HB2 TYR 11 1HB TYR 11 -9.287 10.521 -22.668 53 HB3 TYR 11 2HB TYR 11 -8.767 11.170 -24.219 54 HD1 TYR 11 2HD TYR 11 -9.098 9.275 -26.194 55 HD2 TYR 11 1HD TYR 11 -11.428 9.688 -22.658 56 HE1 TYR 11 2HE TYR 11 -10.973 8.135 -27.303 57 HE2 TYR 11 1HE TYR 11 -13.309 8.548 -23.757 58 HH TYR 11 HH TYR 11 -12.973 7.105 -26.944 59 H ASP 12 H ASP 12 -6.008 11.064 -24.506 60 HA ASP 12 HA ASP 12 -4.704 11.459 -21.894 61 HB2 ASP 12 1HB ASP 12 -3.642 11.300 -24.677 62 HB3 ASP 12 2HB ASP 12 -2.819 12.358 -23.534 63 H GLY 13 H GLY 13 -6.241 13.099 -21.334 64 HA2 GLY 13 1HA GLY 13 -6.403 15.479 -22.975 65 HA3 GLY 13 2HA GLY 13 -7.201 15.217 -21.431 66 H HIS 14 H HIS 14 -4.527 16.608 -23.042 67 HA HIS 14 HA HIS 14 -3.330 17.376 -20.462 68 HB2 HIS 14 1HB HIS 14 -2.110 17.025 -23.194 69 HB3 HIS 14 2HB HIS 14 -1.296 17.930 -21.922 70 HD1 HIS 14 1HD HIS 14 -1.164 14.759 -23.346 71 HD2 HIS 14 2HD HIS 14 -1.345 16.084 -19.412 72 HE1 HIS 14 1HE HIS 14 -0.284 12.858 -21.955 73 HE2 HIS 14 2HE HIS 14 -0.483 13.650 -19.573 74 HA PRO 15 HA PRO 15 -4.555 21.536 -21.210 75 HB2 PRO 15 1HB PRO 15 -2.718 22.813 -19.673 76 HB3 PRO 15 2HB PRO 15 -4.081 21.916 -18.995 77 HG2 PRO 15 1HG PRO 15 -1.229 21.066 -19.323 78 HG3 PRO 15 2HG PRO 15 -2.315 20.829 -17.942 79 HD2 PRO 15 1HD PRO 15 -1.803 18.875 -19.745 80 HD3 PRO 15 2HD PRO 15 -3.367 19.025 -18.918 81 H VAL 16 H VAL 16 -4.009 23.324 -22.438 82 HA VAL 16 HA VAL 16 -2.087 22.991 -24.459 83 HB VAL 16 HB VAL 16 -2.571 25.299 -25.101 84 HG11 VAL 16 1HG1 VAL 16 -4.242 23.251 -25.298 85 HG12 VAL 16 2HG1 VAL 16 -5.242 24.294 -24.284 86 HG13 VAL 16 3HG1 VAL 16 -4.677 24.867 -25.854 87 HG21 VAL 16 1HG2 VAL 16 -2.950 26.781 -23.482 88 HG22 VAL 16 2HG2 VAL 16 -4.582 26.123 -23.373 89 HG23 VAL 16 3HG2 VAL 16 -3.314 25.513 -22.311 90 HA PRO 17 HA PRO 17 1.650 24.400 -22.615 91 HB2 PRO 17 1HB PRO 17 2.955 25.255 -24.836 92 HB3 PRO 17 2HB PRO 17 2.714 23.545 -24.463 93 HG2 PRO 17 1HG PRO 17 1.177 25.311 -26.328 94 HG3 PRO 17 2HG PRO 17 1.728 23.643 -26.567 95 HD2 PRO 17 1HD PRO 17 -0.820 24.251 -25.882 96 HD3 PRO 17 2HD PRO 17 -0.019 22.758 -25.351 97 H GLY 18 H GLY 18 3.191 26.380 -22.784 98 HA2 GLY 18 1HA GLY 18 1.721 28.857 -23.334 99 HA3 GLY 18 2HA GLY 18 2.313 28.593 -21.701 100 H SER 19 H SER 19 3.987 29.906 -21.396 101 HA SER 19 HA SER 19 5.765 30.602 -23.562 102 HB2 SER 19 1HB SER 19 5.919 31.336 -20.628 103 HB3 SER 19 2HB SER 19 6.841 32.077 -21.936 104 HG SER 19 HG SER 19 4.450 32.759 -21.063 105 HA PRO 20 HA PRO 20 8.707 27.394 -22.836 106 HB2 PRO 20 1HB PRO 20 10.799 28.493 -24.171 107 HB3 PRO 20 2HB PRO 20 9.409 27.772 -24.991 108 HG2 PRO 20 1HG PRO 20 9.994 30.655 -24.434 109 HG3 PRO 20 2HG PRO 20 9.359 29.907 -25.911 110 HD2 PRO 20 1HD PRO 20 7.770 31.171 -24.120 111 HD3 PRO 20 2HD PRO 20 7.214 29.784 -25.078 112 H TYR 21 H TYR 21 9.071 30.643 -21.768 113 HA TYR 21 HA TYR 21 11.542 30.114 -20.329 114 HB2 TYR 21 1HB TYR 21 9.851 32.608 -20.174 115 HB3 TYR 21 2HB TYR 21 11.557 32.433 -19.779 116 HD1 TYR 21 1HD TYR 21 12.959 31.415 -21.888 117 HD2 TYR 21 2HD TYR 21 9.398 33.732 -22.127 118 HE1 TYR 21 1HE TYR 21 13.561 32.094 -24.174 119 HE2 TYR 21 2HE TYR 21 9.990 34.416 -24.414 120 HH TYR 21 HH TYR 21 11.730 33.085 -26.341 121 H THR 22 H THR 22 9.914 28.338 -19.350 122 HA THR 22 HA THR 22 9.483 29.204 -16.630 123 HB THR 22 HB THR 22 7.136 28.093 -18.180 124 HG1 THR 22 1HG THR 22 7.252 30.673 -17.029 125 HG21 THR 22 1HG2 THR 22 6.082 29.070 -15.920 126 HG22 THR 22 2HG2 THR 22 7.677 28.622 -15.315 127 HG23 THR 22 3HG2 THR 22 6.646 27.406 -16.068 128 H VAL 23 H VAL 23 9.350 27.487 -15.155 129 HA VAL 23 HA VAL 23 9.803 24.808 -16.297 130 HB VAL 23 HB VAL 23 11.889 25.864 -15.366 131 HG11 VAL 23 1HG1 VAL 23 12.103 26.498 -13.200 132 HG12 VAL 23 2HG1 VAL 23 10.366 26.765 -13.363 133 HG13 VAL 23 3HG1 VAL 23 10.966 25.283 -12.616 134 HG21 VAL 23 1HG2 VAL 23 11.287 23.500 -13.669 135 HG22 VAL 23 2HG2 VAL 23 11.178 23.315 -15.420 136 HG23 VAL 23 3HG2 VAL 23 12.691 23.838 -14.681 137 H GLU 24 H GLU 24 8.818 23.099 -15.293 138 HA GLU 24 HA GLU 24 7.113 23.730 -12.975 139 HB2 GLU 24 1HB GLU 24 5.439 22.153 -13.890 140 HB3 GLU 24 2HB GLU 24 5.704 23.543 -14.934 141 HG2 GLU 24 1HG GLU 24 5.723 21.900 -16.494 142 HG3 GLU 24 2HG GLU 24 7.435 21.912 -16.076 143 H ALA 25 H ALA 25 9.681 22.719 -12.692 144 HA ALA 25 HA ALA 25 9.238 19.884 -12.034 145 HB1 ALA 25 1HB ALA 25 11.096 20.417 -13.613 146 HB2 ALA 25 2HB ALA 25 11.890 21.289 -12.300 147 HB3 ALA 25 3HB ALA 25 11.601 19.555 -12.160 148 H SER 26 H SER 26 8.201 21.884 -10.349 149 HA SER 26 HA SER 26 9.326 21.091 -7.861 150 HB2 SER 26 1HB SER 26 10.900 22.946 -8.752 151 HB3 SER 26 2HB SER 26 9.577 24.047 -8.369 152 HG SER 26 HG SER 26 10.939 22.312 -6.584 153 H LEU 27 H LEU 27 7.433 20.672 -6.919 154 HA LEU 27 HA LEU 27 5.576 22.871 -6.495 155 HB2 LEU 27 1HB LEU 27 4.682 20.224 -7.627 156 HB3 LEU 27 2HB LEU 27 3.634 21.560 -7.155 157 HG LEU 27 HG LEU 27 5.699 21.978 -9.276 158 HD11 LEU 27 1HD1 LEU 27 3.556 21.432 -10.773 159 HD12 LEU 27 2HD1 LEU 27 3.279 20.290 -9.460 160 HD13 LEU 27 3HD1 LEU 27 4.783 20.228 -10.379 161 HD21 LEU 27 1HD2 LEU 27 4.735 23.989 -9.060 162 HD22 LEU 27 2HD2 LEU 27 3.330 23.336 -8.217 163 HD23 LEU 27 3HD2 LEU 27 3.408 23.277 -9.978 164 HA PRO 28 HA PRO 28 5.395 21.087 -2.476 165 HB2 PRO 28 1HB PRO 28 3.070 22.192 -1.612 166 HB3 PRO 28 2HB PRO 28 4.569 23.114 -1.776 167 HG2 PRO 28 1HG PRO 28 2.231 22.953 -3.639 168 HG3 PRO 28 2HG PRO 28 3.168 24.373 -3.139 169 HD2 PRO 28 1HD PRO 28 3.557 23.134 -5.515 170 HD3 PRO 28 2HD PRO 28 4.872 23.929 -4.625 171 HA PRO 29 HA PRO 29 2.890 17.466 -2.812 172 HB2 PRO 29 1HB PRO 29 2.948 16.681 -0.213 173 HB3 PRO 29 2HB PRO 29 4.333 16.513 -1.299 174 HG2 PRO 29 1HG PRO 29 3.780 18.621 0.754 175 HG3 PRO 29 2HG PRO 29 5.298 17.778 0.398 176 HD2 PRO 29 1HD PRO 29 4.775 20.278 -0.501 177 HD3 PRO 29 2HD PRO 29 5.766 19.123 -1.415 178 H ASP 30 H ASP 30 0.778 16.882 -2.590 179 HA ASP 30 HA ASP 30 -0.891 18.253 -0.624 180 HB2 ASP 30 1HB ASP 30 -0.817 19.395 -3.006 181 HB3 ASP 30 2HB ASP 30 -1.934 18.098 -3.420 182 HA PRO 31 HA PRO 31 -2.083 13.905 -0.560 183 HB2 PRO 31 1HB PRO 31 -3.334 14.059 1.844 184 HB3 PRO 31 2HB PRO 31 -1.580 13.914 1.681 185 HG2 PRO 31 1HG PRO 31 -3.242 16.354 2.178 186 HG3 PRO 31 2HG PRO 31 -1.712 15.870 2.932 187 HD2 PRO 31 1HD PRO 31 -1.841 17.708 0.948 188 HD3 PRO 31 2HD PRO 31 -0.453 16.621 1.154 189 H SER 32 H SER 32 -4.155 16.686 0.154 190 HA SER 32 HA SER 32 -6.637 15.422 -0.018 191 HB2 SER 32 1HB SER 32 -6.194 17.779 0.773 192 HB3 SER 32 2HB SER 32 -6.058 18.250 -0.921 193 HG SER 32 HG SER 32 -8.160 18.035 -1.165 194 H LYS 33 H LYS 33 -4.421 16.433 -2.498 195 HA LYS 33 HA LYS 33 -6.346 16.184 -4.637 196 HB2 LYS 33 1HB LYS 33 -3.341 16.390 -4.852 197 HB3 LYS 33 2HB LYS 33 -4.521 16.721 -6.113 198 HG2 LYS 33 1HG LYS 33 -4.622 18.291 -3.583 199 HG3 LYS 33 2HG LYS 33 -3.395 18.671 -4.793 200 HD2 LYS 33 1HD LYS 33 -5.070 20.039 -5.522 201 HD3 LYS 33 2HD LYS 33 -5.493 18.574 -6.411 202 HE2 LYS 33 1HE LYS 33 -6.868 18.069 -4.210 203 HE3 LYS 33 2HE LYS 33 -6.812 19.824 -4.054 204 HZ1 LYS 33 1HZ LYS 33 -8.062 20.124 -5.933 205 HZ2 LYS 33 2HZ LYS 33 -8.738 18.689 -5.347 206 HZ3 LYS 33 3HZ LYS 33 -7.622 18.641 -6.618 207 H VAL 34 H VAL 34 -3.969 14.192 -3.062 208 HA VAL 34 HA VAL 34 -3.672 12.225 -5.069 209 HB VAL 34 HB VAL 34 -3.368 11.956 -2.075 210 HG11 VAL 34 1HG1 VAL 34 -2.187 9.938 -2.454 211 HG12 VAL 34 2HG1 VAL 34 -3.689 9.814 -3.373 212 HG13 VAL 34 3HG1 VAL 34 -2.176 10.189 -4.199 213 HG21 VAL 34 1HG2 VAL 34 -1.697 13.108 -4.183 214 HG22 VAL 34 2HG2 VAL 34 -1.644 13.346 -2.436 215 HG23 VAL 34 3HG2 VAL 34 -0.861 11.941 -3.159 216 H LYS 35 H LYS 35 -5.347 11.156 -5.902 217 HA LYS 35 HA LYS 35 -7.333 10.023 -4.042 218 HB2 LYS 35 1HB LYS 35 -7.660 11.368 -6.682 219 HB3 LYS 35 2HB LYS 35 -8.750 10.044 -6.292 220 HG2 LYS 35 1HG LYS 35 -9.593 11.181 -4.391 221 HG3 LYS 35 2HG LYS 35 -8.329 12.409 -4.485 222 HD2 LYS 35 1HD LYS 35 -10.311 11.974 -6.704 223 HD3 LYS 35 2HD LYS 35 -10.641 13.053 -5.347 224 HE2 LYS 35 1HE LYS 35 -8.198 13.278 -7.094 225 HE3 LYS 35 2HE LYS 35 -9.697 14.152 -7.406 226 HZ1 LYS 35 1HZ LYS 35 -7.853 15.304 -6.073 227 HZ2 LYS 35 2HZ LYS 35 -8.370 14.345 -4.780 228 HZ3 LYS 35 3HZ LYS 35 -9.444 15.429 -5.511 229 H ALA 36 H ALA 36 -8.023 7.916 -4.396 230 HA ALA 36 HA ALA 36 -6.434 6.387 -6.354 231 HB1 ALA 36 1HB ALA 36 -6.068 4.700 -4.849 232 HB2 ALA 36 2HB ALA 36 -6.076 6.094 -3.768 233 HB3 ALA 36 3HB ALA 36 -7.511 5.078 -3.906 234 H HIS 37 H HIS 37 -7.620 5.571 -7.940 235 HA HIS 37 HA HIS 37 -10.285 4.515 -7.335 236 HB2 HIS 37 1HB HIS 37 -10.874 5.505 -9.717 237 HB3 HIS 37 2HB HIS 37 -11.042 6.480 -8.260 238 HD1 HIS 37 1HD HIS 37 -8.999 6.137 -11.363 239 HD2 HIS 37 2HD HIS 37 -9.193 8.579 -8.008 240 HE1 HIS 37 1HE HIS 37 -7.531 8.111 -11.883 241 HE2 HIS 37 2HE HIS 37 -7.596 9.533 -9.805 242 H GLY 38 H GLY 38 -10.398 2.477 -7.992 243 HA2 GLY 38 1HA GLY 38 -9.882 1.529 -10.538 244 HA3 GLY 38 2HA GLY 38 -8.393 1.299 -9.635 245 HA PRO 39 HA PRO 39 -11.347 -2.312 -9.008 246 HB2 PRO 39 1HB PRO 39 -9.738 -4.214 -10.087 247 HB3 PRO 39 2HB PRO 39 -10.904 -3.288 -11.040 248 HG2 PRO 39 1HG PRO 39 -7.954 -2.881 -10.741 249 HG3 PRO 39 2HG PRO 39 -8.952 -2.802 -12.205 250 HD2 PRO 39 1HD PRO 39 -8.133 -0.588 -10.879 251 HD3 PRO 39 2HD PRO 39 -9.682 -0.665 -11.744 252 H GLY 40 H GLY 40 -7.845 -1.967 -8.635 253 HA2 GLY 40 1HA GLY 40 -7.490 -4.014 -6.721 254 HA3 GLY 40 2HA GLY 40 -6.409 -2.653 -6.980 255 H LEU 41 H LEU 41 -9.187 -1.147 -6.443 256 HA LEU 41 HA LEU 41 -8.594 -0.791 -3.605 257 HB2 LEU 41 1HB LEU 41 -10.432 0.782 -5.403 258 HB3 LEU 41 2HB LEU 41 -9.971 1.206 -3.756 259 HG LEU 41 HG LEU 41 -8.071 1.073 -6.096 260 HD11 LEU 41 1HD1 LEU 41 -8.244 3.360 -6.347 261 HD12 LEU 41 2HD1 LEU 41 -8.940 3.591 -4.743 262 HD13 LEU 41 3HD1 LEU 41 -9.917 2.897 -6.037 263 HD21 LEU 41 1HD2 LEU 41 -7.562 0.959 -3.370 264 HD22 LEU 41 2HD2 LEU 41 -7.287 2.648 -3.798 265 HD23 LEU 41 3HD2 LEU 41 -6.412 1.371 -4.643 266 H GLU 42 H GLU 42 -11.359 -1.464 -5.733 267 HA GLU 42 HA GLU 42 -13.217 -1.831 -3.614 268 HB2 GLU 42 1HB GLU 42 -14.765 -2.434 -5.257 269 HB3 GLU 42 2HB GLU 42 -13.682 -1.335 -6.099 270 HG2 GLU 42 1HG GLU 42 -12.452 -3.350 -6.943 271 HG3 GLU 42 2HG GLU 42 -13.752 -4.333 -6.273 272 H GLY 43 H GLY 43 -11.075 -3.978 -5.393 273 HA2 GLY 43 1HA GLY 43 -10.598 -5.861 -3.542 274 HA3 GLY 43 2HA GLY 43 -12.180 -6.349 -4.132 275 H GLY 44 H GLY 44 -10.599 -8.274 -4.534 276 HA2 GLY 44 1HA GLY 44 -10.136 -8.314 -7.386 277 HA3 GLY 44 2HA GLY 44 -8.670 -8.434 -6.424 278 H LEU 45 H LEU 45 -8.203 -10.519 -7.123 279 HA LEU 45 HA LEU 45 -9.898 -12.594 -5.919 280 HB2 LEU 45 1HB LEU 45 -8.665 -12.690 -8.668 281 HB3 LEU 45 2HB LEU 45 -9.464 -14.043 -7.869 282 HG LEU 45 HG LEU 45 -10.969 -11.502 -8.332 283 HD11 LEU 45 1HD1 LEU 45 -9.740 -12.906 -10.416 284 HD12 LEU 45 2HD1 LEU 45 -11.020 -11.700 -10.539 285 HD13 LEU 45 3HD1 LEU 45 -11.430 -13.412 -10.427 286 HD21 LEU 45 1HD2 LEU 45 -12.777 -12.741 -7.841 287 HD22 LEU 45 2HD2 LEU 45 -11.607 -13.826 -7.090 288 HD23 LEU 45 3HD2 LEU 45 -12.184 -14.146 -8.726 289 H VAL 46 H VAL 46 -8.824 -14.282 -4.983 290 HA VAL 46 HA VAL 46 -6.200 -13.911 -4.107 291 HB VAL 46 HB VAL 46 -7.741 -16.505 -4.262 292 HG11 VAL 46 1HG1 VAL 46 -5.652 -17.270 -3.772 293 HG12 VAL 46 2HG1 VAL 46 -5.141 -15.745 -3.046 294 HG13 VAL 46 3HG1 VAL 46 -6.182 -16.848 -2.145 295 HG21 VAL 46 1HG2 VAL 46 -8.377 -16.039 -1.954 296 HG22 VAL 46 2HG2 VAL 46 -7.514 -14.502 -2.015 297 HG23 VAL 46 3HG2 VAL 46 -8.934 -14.756 -3.029 298 H GLY 47 H GLY 47 -4.241 -14.472 -4.872 299 HA2 GLY 47 1HA GLY 47 -2.657 -15.591 -6.160 300 HA3 GLY 47 2HA GLY 47 -3.957 -16.475 -6.945 301 H LYS 48 H LYS 48 -5.370 -13.909 -7.539 302 HA LYS 48 HA LYS 48 -3.894 -13.310 -9.985 303 HB2 LYS 48 1HB LYS 48 -6.723 -13.061 -9.099 304 HB3 LYS 48 2HB LYS 48 -6.150 -11.909 -10.298 305 HG2 LYS 48 1HG LYS 48 -5.283 -14.045 -11.519 306 HG3 LYS 48 2HG LYS 48 -6.481 -14.863 -10.514 307 HD2 LYS 48 1HD LYS 48 -8.259 -13.743 -11.501 308 HD3 LYS 48 2HD LYS 48 -7.236 -12.429 -12.086 309 HE2 LYS 48 1HE LYS 48 -6.770 -15.191 -13.107 310 HE3 LYS 48 2HE LYS 48 -8.147 -14.277 -13.722 311 HZ1 LYS 48 1HZ LYS 48 -5.928 -12.589 -13.748 312 HZ2 LYS 48 2HZ LYS 48 -6.772 -13.218 -15.072 313 HZ3 LYS 48 3HZ LYS 48 -5.443 -14.054 -14.442 314 HA PRO 49 HA PRO 49 -2.401 -9.430 -8.535 315 HB2 PRO 49 1HB PRO 49 -2.046 -8.188 -10.923 316 HB3 PRO 49 2HB PRO 49 -0.981 -9.472 -10.341 317 HG2 PRO 49 1HG PRO 49 -3.249 -9.630 -12.288 318 HG3 PRO 49 2HG PRO 49 -1.649 -10.388 -12.371 319 HD2 PRO 49 1HD PRO 49 -3.862 -11.739 -11.590 320 HD3 PRO 49 2HD PRO 49 -2.247 -12.100 -10.947 321 H ALA 50 H ALA 50 -2.967 -7.208 -8.366 322 HA ALA 50 HA ALA 50 -5.381 -6.260 -9.656 323 HB1 ALA 50 1HB ALA 50 -5.825 -5.704 -6.921 324 HB2 ALA 50 2HB ALA 50 -6.796 -6.699 -8.007 325 HB3 ALA 50 3HB ALA 50 -5.500 -7.432 -7.062 326 H GLU 51 H GLU 51 -5.105 -4.186 -10.144 327 HA GLU 51 HA GLU 51 -3.514 -2.493 -8.354 328 HB2 GLU 51 1HB GLU 51 -2.655 -1.427 -10.592 329 HB3 GLU 51 2HB GLU 51 -1.862 -2.845 -9.920 330 HG2 GLU 51 1HG GLU 51 -2.952 -4.287 -11.466 331 HG3 GLU 51 2HG GLU 51 -4.003 -2.986 -12.025 332 H PHE 52 H PHE 52 -3.769 -0.140 -8.908 333 HA PHE 52 HA PHE 52 -6.331 0.468 -10.191 334 HB2 PHE 52 1HB PHE 52 -6.816 2.056 -8.264 335 HB3 PHE 52 2HB PHE 52 -6.992 0.339 -7.915 336 HD1 PHE 52 1HD PHE 52 -4.937 -0.829 -6.856 337 HD2 PHE 52 2HD PHE 52 -5.538 3.384 -6.877 338 HE1 PHE 52 1HE PHE 52 -3.389 -0.603 -4.958 339 HE2 PHE 52 2HE PHE 52 -3.990 3.618 -4.979 340 HZ PHE 52 HZ PHE 52 -2.912 1.623 -4.017 341 H THR 53 H THR 53 -6.604 3.001 -10.145 342 HA THR 53 HA THR 53 -4.067 4.096 -11.149 343 HB THR 53 HB THR 53 -6.820 5.221 -11.662 344 HG1 THR 53 1HG THR 53 -6.846 3.187 -12.568 345 HG21 THR 53 1HG2 THR 53 -5.633 6.866 -12.593 346 HG22 THR 53 2HG2 THR 53 -5.092 5.702 -13.803 347 HG23 THR 53 3HG2 THR 53 -4.123 5.987 -12.357 348 H ILE 54 H ILE 54 -3.069 5.630 -10.027 349 HA ILE 54 HA ILE 54 -4.587 7.053 -7.945 350 HB ILE 54 HB ILE 54 -1.603 6.613 -8.111 351 HG12 ILE 54 1HG1 ILE 54 -3.622 5.350 -6.245 352 HG13 ILE 54 2HG1 ILE 54 -2.939 4.551 -7.656 353 HG21 ILE 54 1HG2 ILE 54 -2.856 8.643 -6.846 354 HG22 ILE 54 2HG2 ILE 54 -2.870 7.417 -5.580 355 HG23 ILE 54 3HG2 ILE 54 -1.341 7.924 -6.298 356 HD11 ILE 54 1HD1 ILE 54 -1.918 4.657 -5.032 357 HD12 ILE 54 2HD1 ILE 54 -1.214 3.883 -6.453 358 HD13 ILE 54 3HD1 ILE 54 -0.809 5.556 -6.067 359 H ASP 55 H ASP 55 -4.724 9.220 -7.975 360 HA ASP 55 HA ASP 55 -3.459 10.614 -10.221 361 HB2 ASP 55 1HB ASP 55 -5.963 10.725 -9.849 362 HB3 ASP 55 2HB ASP 55 -5.626 11.669 -8.401 363 H THR 56 H THR 56 -1.474 11.280 -9.639 364 HA THR 56 HA THR 56 -1.285 13.027 -7.282 365 HB THR 56 HB THR 56 1.183 12.067 -7.204 366 HG1 THR 56 1HG THR 56 0.856 9.672 -7.554 367 HG21 THR 56 1HG2 THR 56 -1.331 11.270 -5.905 368 HG22 THR 56 2HG2 THR 56 0.208 11.757 -5.195 369 HG23 THR 56 3HG2 THR 56 -0.019 10.101 -5.757 370 H LYS 57 H LYS 57 -1.478 13.381 -10.278 371 HA LYS 57 HA LYS 57 1.079 14.437 -11.071 372 HB2 LYS 57 1HB LYS 57 -0.067 15.124 -13.114 373 HB3 LYS 57 2HB LYS 57 -0.452 13.454 -12.720 374 HG2 LYS 57 1HG LYS 57 -2.518 14.582 -11.524 375 HG3 LYS 57 2HG LYS 57 -2.186 15.862 -12.693 376 HD2 LYS 57 1HD LYS 57 -2.770 12.962 -13.276 377 HD3 LYS 57 2HD LYS 57 -3.791 14.353 -13.648 378 HE2 LYS 57 1HE LYS 57 -1.011 14.111 -14.750 379 HE3 LYS 57 2HE LYS 57 -2.381 13.331 -15.540 380 HZ1 LYS 57 1HZ LYS 57 -3.180 15.919 -15.043 381 HZ2 LYS 57 2HZ LYS 57 -2.755 15.258 -16.540 382 HZ3 LYS 57 3HZ LYS 57 -1.592 16.056 -15.608 383 H GLY 58 H GLY 58 -1.888 15.683 -9.703 384 HA2 GLY 58 1HA GLY 58 -0.803 18.420 -9.887 385 HA3 GLY 58 2HA GLY 58 -2.504 18.026 -9.689 386 H ALA 59 H ALA 59 -0.323 16.153 -7.835 387 HA ALA 59 HA ALA 59 -1.262 17.481 -5.408 388 HB1 ALA 59 1HB ALA 59 -0.702 14.781 -6.127 389 HB2 ALA 59 2HB ALA 59 0.325 15.235 -4.767 390 HB3 ALA 59 3HB ALA 59 -1.426 15.406 -4.645 391 H GLY 60 H GLY 60 1.805 16.304 -6.799 392 HA2 GLY 60 1HA GLY 60 3.540 18.206 -6.668 393 HA3 GLY 60 2HA GLY 60 3.243 18.077 -4.941 394 H THR 61 H THR 61 5.428 17.554 -4.569 395 HA THR 61 HA THR 61 6.126 14.794 -5.333 396 HB THR 61 HB THR 61 8.121 17.027 -4.929 397 HG1 THR 61 1HG THR 61 7.407 17.573 -6.866 398 HG21 THR 61 1HG2 THR 61 8.532 14.350 -6.246 399 HG22 THR 61 2HG2 THR 61 8.805 14.613 -4.524 400 HG23 THR 61 3HG2 THR 61 9.754 15.504 -5.714 401 H GLY 62 H GLY 62 6.915 13.475 -3.751 402 HA2 GLY 62 1HA GLY 62 8.067 14.273 -1.332 403 HA3 GLY 62 2HA GLY 62 6.339 14.103 -1.061 404 H GLY 63 H GLY 63 6.631 12.368 0.365 405 HA2 GLY 63 1HA GLY 63 7.505 9.867 -0.947 406 HA3 GLY 63 2HA GLY 63 7.800 10.208 0.751 407 H LEU 64 H LEU 64 5.735 8.742 -1.455 408 HA LEU 64 HA LEU 64 3.400 8.826 0.283 409 HB2 LEU 64 1HB LEU 64 3.117 9.030 -2.144 410 HB3 LEU 64 2HB LEU 64 3.834 7.434 -2.356 411 HG LEU 64 HG LEU 64 1.838 6.699 -0.799 412 HD11 LEU 64 1HD1 LEU 64 -0.147 7.992 -1.079 413 HD12 LEU 64 2HD1 LEU 64 0.670 9.115 -2.165 414 HD13 LEU 64 3HD1 LEU 64 1.110 9.063 -0.458 415 HD21 LEU 64 1HD2 LEU 64 0.730 5.951 -2.700 416 HD22 LEU 64 2HD2 LEU 64 2.386 6.174 -3.265 417 HD23 LEU 64 3HD2 LEU 64 1.156 7.384 -3.635 418 H GLY 65 H GLY 65 2.838 7.260 1.665 419 HA2 GLY 65 1HA GLY 65 4.503 4.830 1.701 420 HA3 GLY 65 2HA GLY 65 3.667 5.505 3.092 421 H LEU 66 H LEU 66 3.633 3.005 1.002 422 HA LEU 66 HA LEU 66 0.711 2.680 1.206 423 HB2 LEU 66 1HB LEU 66 1.944 2.837 -1.106 424 HB3 LEU 66 2HB LEU 66 2.341 1.153 -0.772 425 HG LEU 66 HG LEU 66 -0.119 0.712 -0.554 426 HD11 LEU 66 1HD1 LEU 66 -0.802 3.027 -0.100 427 HD12 LEU 66 2HD1 LEU 66 -1.672 2.331 -1.467 428 HD13 LEU 66 3HD1 LEU 66 -0.355 3.471 -1.748 429 HD21 LEU 66 1HD2 LEU 66 0.948 1.751 -3.175 430 HD22 LEU 66 2HD2 LEU 66 -0.528 0.801 -3.004 431 HD23 LEU 66 3HD2 LEU 66 1.031 0.097 -2.570 432 H THR 67 H THR 67 0.193 1.278 2.738 433 HA THR 67 HA THR 67 1.797 -1.174 3.006 434 HB THR 67 HB THR 67 1.295 -1.080 5.491 435 HG1 THR 67 1HG THR 67 0.974 1.704 5.079 436 HG21 THR 67 1HG2 THR 67 3.004 1.122 5.506 437 HG22 THR 67 2HG2 THR 67 3.295 0.338 3.954 438 HG23 THR 67 3HG2 THR 67 3.470 -0.578 5.451 439 H VAL 68 H VAL 68 0.619 -2.964 2.850 440 HA VAL 68 HA VAL 68 -2.272 -2.775 2.778 441 HB VAL 68 HB VAL 68 -0.427 -5.120 2.304 442 HG11 VAL 68 1HG1 VAL 68 -2.810 -5.755 1.132 443 HG12 VAL 68 2HG1 VAL 68 -2.260 -6.350 2.700 444 HG13 VAL 68 3HG1 VAL 68 -3.332 -4.952 2.612 445 HG21 VAL 68 1HG2 VAL 68 -2.078 -4.045 0.125 446 HG22 VAL 68 2HG2 VAL 68 -0.813 -2.962 0.704 447 HG23 VAL 68 3HG2 VAL 68 -0.396 -4.573 0.121 448 H GLU 69 H GLU 69 -3.386 -2.877 4.611 449 HA GLU 69 HA GLU 69 -2.335 -4.443 6.851 450 HB2 GLU 69 1HB GLU 69 -4.400 -2.266 6.636 451 HB3 GLU 69 2HB GLU 69 -4.291 -3.280 8.068 452 HG2 GLU 69 1HG GLU 69 -2.060 -1.589 6.963 453 HG3 GLU 69 2HG GLU 69 -3.097 -1.156 8.321 454 H GLY 70 H GLY 70 -2.906 -6.432 5.635 455 HA2 GLY 70 1HA GLY 70 -5.784 -7.053 5.884 456 HA3 GLY 70 2HA GLY 70 -4.717 -7.795 4.700 457 HA PRO 71 HA PRO 71 -5.125 -10.640 8.356 458 HB2 PRO 71 1HB PRO 71 -5.690 -12.850 6.884 459 HB3 PRO 71 2HB PRO 71 -6.933 -11.721 7.438 460 HG2 PRO 71 1HG PRO 71 -5.616 -11.923 4.757 461 HG3 PRO 71 2HG PRO 71 -7.326 -11.666 5.146 462 HD2 PRO 71 1HD PRO 71 -5.678 -9.645 4.419 463 HD3 PRO 71 2HD PRO 71 -7.025 -9.417 5.552 464 H CYS 72 H CYS 72 -3.291 -10.501 5.446 465 HA CYS 72 HA CYS 72 -1.057 -11.796 6.743 466 HB2 CYS 72 1HB CYS 72 -2.292 -13.686 5.708 467 HB3 CYS 72 2HB CYS 72 -2.124 -12.906 4.140 468 HG CYS 72 HG CYS 72 -0.201 -15.111 5.308 469 H GLU 73 H GLU 73 0.951 -11.550 5.530 470 HA GLU 73 HA GLU 73 1.126 -8.971 4.334 471 HB2 GLU 73 1HB GLU 73 2.889 -10.366 5.706 472 HB3 GLU 73 2HB GLU 73 3.339 -10.970 4.118 473 HG2 GLU 73 1HG GLU 73 4.108 -8.926 3.404 474 HG3 GLU 73 2HG GLU 73 3.117 -8.032 4.556 475 H ALA 74 H ALA 74 0.466 -8.557 2.336 476 HA ALA 74 HA ALA 74 0.795 -10.622 0.268 477 HB1 ALA 74 1HB ALA 74 -0.845 -8.191 -0.215 478 HB2 ALA 74 2HB ALA 74 -1.078 -9.846 -0.782 479 HB3 ALA 74 3HB ALA 74 -1.474 -9.420 0.883 480 H LYS 75 H LYS 75 1.944 -10.240 -1.567 481 HA LYS 75 HA LYS 75 4.022 -8.386 -1.547 482 HB2 LYS 75 1HB LYS 75 3.674 -10.542 -2.966 483 HB3 LYS 75 2HB LYS 75 2.905 -9.458 -4.119 484 HG2 LYS 75 1HG LYS 75 5.064 -9.508 -4.893 485 HG3 LYS 75 2HG LYS 75 5.092 -8.073 -3.866 486 HD2 LYS 75 1HD LYS 75 6.119 -9.311 -2.076 487 HD3 LYS 75 2HD LYS 75 5.948 -10.824 -2.970 488 HE2 LYS 75 1HE LYS 75 7.532 -8.493 -4.019 489 HE3 LYS 75 2HE LYS 75 8.243 -9.730 -2.985 490 HZ1 LYS 75 1HZ LYS 75 7.474 -11.391 -4.649 491 HZ2 LYS 75 2HZ LYS 75 8.657 -10.330 -5.228 492 HZ3 LYS 75 3HZ LYS 75 7.038 -10.112 -5.668 493 H ILE 76 H ILE 76 4.348 -6.403 -2.489 494 HA ILE 76 HA ILE 76 2.043 -5.136 -3.801 495 HB ILE 76 HB ILE 76 3.763 -3.765 -1.734 496 HG12 ILE 76 1HG1 ILE 76 0.875 -4.617 -1.469 497 HG13 ILE 76 2HG1 ILE 76 2.224 -5.546 -0.824 498 HG21 ILE 76 1HG2 ILE 76 3.005 -1.929 -2.746 499 HG22 ILE 76 2HG2 ILE 76 1.844 -2.843 -3.708 500 HG23 ILE 76 3HG2 ILE 76 1.427 -2.337 -2.071 501 HD11 ILE 76 1HD1 ILE 76 1.184 -2.885 0.042 502 HD12 ILE 76 2HD1 ILE 76 1.488 -4.335 0.999 503 HD13 ILE 76 3HD1 ILE 76 2.839 -3.370 0.406 504 H GLU 77 H GLU 77 2.588 -4.360 -5.721 505 HA GLU 77 HA GLU 77 5.402 -3.625 -6.192 506 HB2 GLU 77 1HB GLU 77 4.706 -5.528 -7.540 507 HB3 GLU 77 2HB GLU 77 3.320 -4.628 -8.141 508 HG2 GLU 77 1HG GLU 77 4.793 -4.441 -9.887 509 HG3 GLU 77 2HG GLU 77 5.106 -2.952 -8.997 510 H CYS 78 H CYS 78 5.473 -1.472 -5.858 511 HA CYS 78 HA CYS 78 3.354 0.245 -6.861 512 HB2 CYS 78 1HB CYS 78 4.638 2.062 -5.766 513 HB3 CYS 78 2HB CYS 78 4.249 0.748 -4.662 514 HG CYS 78 HG CYS 78 6.847 -0.392 -4.870 515 H SER 79 H SER 79 3.563 0.092 -9.094 516 HA SER 79 HA SER 79 6.112 0.817 -10.310 517 HB2 SER 79 1HB SER 79 4.493 0.483 -12.431 518 HB3 SER 79 2HB SER 79 5.288 -0.865 -11.618 519 HG SER 79 HG SER 79 2.849 -0.851 -12.013 520 H ASP 80 H ASP 80 6.378 2.574 -11.712 521 HA ASP 80 HA ASP 80 4.418 4.732 -11.309 522 HB2 ASP 80 1HB ASP 80 7.392 4.806 -11.820 523 HB3 ASP 80 2HB ASP 80 6.369 6.236 -11.926 524 H ASN 81 H ASN 81 3.870 6.093 -13.060 525 HA ASN 81 HA ASN 81 3.981 4.730 -15.636 526 HB2 ASN 81 1HB ASN 81 2.340 7.055 -14.622 527 HB3 ASN 81 2HB ASN 81 2.299 6.504 -16.294 528 HD21 ASN 81 1HD2 ASN 81 1.816 5.435 -12.967 529 HD22 ASN 81 2HD2 ASN 81 0.612 4.251 -13.334 530 H GLY 82 H GLY 82 4.760 7.884 -14.207 531 HA2 GLY 82 1HA GLY 82 6.792 9.014 -14.848 532 HA3 GLY 82 2HA GLY 82 6.612 8.328 -16.456 533 H ASP 83 H ASP 83 3.617 9.041 -16.111 534 HA ASP 83 HA ASP 83 3.911 11.726 -17.226 535 HB2 ASP 83 1HB ASP 83 1.348 10.149 -17.103 536 HB3 ASP 83 2HB ASP 83 1.797 11.429 -18.228 537 H GLY 84 H GLY 84 3.162 10.266 -14.295 538 HA2 GLY 84 1HA GLY 84 2.957 11.963 -12.464 539 HA3 GLY 84 2HA GLY 84 1.651 12.650 -13.418 540 H THR 85 H THR 85 1.797 9.258 -13.533 541 HA THR 85 HA THR 85 -0.236 9.034 -11.414 542 HB THR 85 HB THR 85 -1.427 7.361 -12.791 543 HG1 THR 85 1HG THR 85 -0.760 7.629 -15.172 544 HG21 THR 85 1HG2 THR 85 -2.303 9.582 -12.847 545 HG22 THR 85 2HG2 THR 85 -2.314 8.977 -14.504 546 HG23 THR 85 3HG2 THR 85 -1.062 10.106 -13.985 547 H CYS 86 H CYS 86 -0.553 6.766 -10.665 548 HA CYS 86 HA CYS 86 1.828 5.088 -10.987 549 HB2 CYS 86 1HB CYS 86 0.680 6.057 -8.369 550 HB3 CYS 86 2HB CYS 86 1.749 4.664 -8.483 551 HG CYS 86 HG CYS 86 2.646 7.644 -7.954 552 H SER 87 H SER 87 1.495 2.880 -10.659 553 HA SER 87 HA SER 87 -1.287 2.039 -10.209 554 HB2 SER 87 1HB SER 87 -0.899 2.005 -12.622 555 HB3 SER 87 2HB SER 87 0.548 1.022 -12.394 556 HG SER 87 HG SER 87 -0.678 -0.672 -12.304 557 H VAL 88 H VAL 88 -0.838 1.321 -8.140 558 HA VAL 88 HA VAL 88 1.351 -0.495 -7.642 559 HB VAL 88 HB VAL 88 -0.928 0.283 -5.818 560 HG11 VAL 88 1HG1 VAL 88 1.685 -0.561 -4.741 561 HG12 VAL 88 2HG1 VAL 88 0.053 -0.890 -4.156 562 HG13 VAL 88 3HG1 VAL 88 0.715 -1.824 -5.498 563 HG21 VAL 88 1HG2 VAL 88 0.250 2.099 -5.106 564 HG22 VAL 88 2HG2 VAL 88 1.813 1.375 -5.488 565 HG23 VAL 88 3HG2 VAL 88 0.813 2.044 -6.777 566 H SER 89 H SER 89 1.263 -2.585 -8.093 567 HA SER 89 HA SER 89 -1.362 -3.908 -8.189 568 HB2 SER 89 1HB SER 89 -0.053 -5.684 -9.491 569 HB3 SER 89 2HB SER 89 -0.306 -4.136 -10.297 570 HG SER 89 HG SER 89 1.984 -5.339 -9.816 571 H TYR 90 H TYR 90 -1.862 -5.377 -6.704 572 HA TYR 90 HA TYR 90 0.319 -6.552 -5.108 573 HB2 TYR 90 1HB TYR 90 -1.056 -6.460 -3.149 574 HB3 TYR 90 2HB TYR 90 -1.075 -4.859 -3.879 575 HD1 TYR 90 2HD TYR 90 -3.044 -7.911 -3.280 576 HD2 TYR 90 1HD TYR 90 -3.099 -3.924 -4.766 577 HE1 TYR 90 2HE TYR 90 -5.503 -7.963 -3.313 578 HE2 TYR 90 1HE TYR 90 -5.558 -3.965 -4.801 579 HH TYR 90 HH TYR 90 -7.395 -5.285 -3.526 580 H LEU 91 H LEU 91 0.201 -8.714 -4.622 581 HA LEU 91 HA LEU 91 -1.956 -10.212 -5.958 582 HB2 LEU 91 1HB LEU 91 0.969 -10.630 -5.768 583 HB3 LEU 91 2HB LEU 91 -0.048 -12.069 -5.703 584 HG LEU 91 HG LEU 91 -0.471 -10.124 -7.921 585 HD11 LEU 91 1HD1 LEU 91 1.788 -12.117 -7.802 586 HD12 LEU 91 2HD1 LEU 91 1.936 -10.363 -7.898 587 HD13 LEU 91 3HD1 LEU 91 1.255 -11.266 -9.252 588 HD21 LEU 91 1HD2 LEU 91 -2.001 -11.859 -7.992 589 HD22 LEU 91 2HD2 LEU 91 -0.830 -13.054 -7.431 590 HD23 LEU 91 3HD2 LEU 91 -0.734 -12.429 -9.078 591 HA PRO 92 HA PRO 92 -2.815 -11.220 -1.641 592 HB2 PRO 92 1HB PRO 92 -5.291 -12.215 -2.144 593 HB3 PRO 92 2HB PRO 92 -4.961 -10.484 -2.005 594 HG2 PRO 92 1HG PRO 92 -5.259 -12.164 -4.465 595 HG3 PRO 92 2HG PRO 92 -5.906 -10.548 -4.129 596 HD2 PRO 92 1HD PRO 92 -3.692 -10.947 -5.635 597 HD3 PRO 92 2HD PRO 92 -3.907 -9.509 -4.616 598 H THR 93 H THR 93 -3.239 -13.211 -0.512 599 HA THR 93 HA THR 93 -2.677 -15.618 -2.120 600 HB THR 93 HB THR 93 -0.694 -15.307 -0.912 601 HG1 THR 93 1HG THR 93 -0.994 -17.355 -0.403 602 HG21 THR 93 1HG2 THR 93 -2.443 -14.022 1.012 603 HG22 THR 93 2HG2 THR 93 -0.711 -13.812 0.749 604 HG23 THR 93 3HG2 THR 93 -1.294 -15.107 1.794 605 H LYS 94 H LYS 94 -4.351 -14.243 0.645 606 HA LYS 94 HA LYS 94 -6.117 -16.599 0.661 607 HB2 LYS 94 1HB LYS 94 -5.394 -15.009 3.123 608 HB3 LYS 94 2HB LYS 94 -6.293 -16.519 3.047 609 HG2 LYS 94 1HG LYS 94 -4.309 -17.706 2.341 610 HG3 LYS 94 2HG LYS 94 -3.394 -16.197 2.296 611 HD2 LYS 94 1HD LYS 94 -4.765 -16.921 4.832 612 HD3 LYS 94 2HD LYS 94 -3.317 -17.826 4.388 613 HE2 LYS 94 1HE LYS 94 -2.078 -15.722 4.176 614 HE3 LYS 94 2HE LYS 94 -3.526 -14.826 4.633 615 HZ1 LYS 94 1HZ LYS 94 -3.050 -16.790 6.571 616 HZ2 LYS 94 2HZ LYS 94 -2.994 -15.109 6.747 617 HZ3 LYS 94 3HZ LYS 94 -1.599 -15.960 6.309 618 HA PRO 95 HA PRO 95 -9.375 -13.700 0.055 619 HB2 PRO 95 1HB PRO 95 -11.451 -15.199 0.956 620 HB3 PRO 95 2HB PRO 95 -10.651 -15.499 -0.591 621 HG2 PRO 95 1HG PRO 95 -10.270 -16.880 2.037 622 HG3 PRO 95 2HG PRO 95 -10.385 -17.580 0.412 623 HD2 PRO 95 1HD PRO 95 -8.018 -17.212 1.675 624 HD3 PRO 95 2HD PRO 95 -8.188 -17.097 -0.089 625 H GLY 96 H GLY 96 -9.475 -11.952 1.335 626 HA2 GLY 96 1HA GLY 96 -10.912 -12.087 3.820 627 HA3 GLY 96 2HA GLY 96 -9.200 -11.758 4.045 628 H GLU 97 H GLU 97 -8.792 -9.678 4.314 629 HA GLU 97 HA GLU 97 -10.032 -7.730 2.536 630 HB2 GLU 97 1HB GLU 97 -10.144 -7.458 5.545 631 HB3 GLU 97 2HB GLU 97 -10.681 -6.255 4.381 632 HG2 GLU 97 1HG GLU 97 -12.656 -7.254 4.992 633 HG3 GLU 97 2HG GLU 97 -12.238 -8.135 3.523 634 H TYR 98 H TYR 98 -8.530 -6.384 1.807 635 HA TYR 98 HA TYR 98 -6.091 -6.005 3.416 636 HB2 TYR 98 1HB TYR 98 -6.351 -5.847 0.407 637 HB3 TYR 98 2HB TYR 98 -4.863 -5.708 1.338 638 HD1 TYR 98 1HD TYR 98 -7.649 -8.076 0.617 639 HD2 TYR 98 2HD TYR 98 -3.576 -7.604 1.753 640 HE1 TYR 98 1HE TYR 98 -7.326 -10.509 0.449 641 HE2 TYR 98 2HE TYR 98 -3.241 -10.035 1.587 642 HH TYR 98 HH TYR 98 -4.364 -12.045 1.497 643 H PHE 99 H PHE 99 -6.119 -4.074 4.351 644 HA PHE 99 HA PHE 99 -7.495 -1.843 3.088 645 HB2 PHE 99 1HB PHE 99 -6.250 -2.235 5.806 646 HB3 PHE 99 2HB PHE 99 -6.839 -0.668 5.260 647 HD1 PHE 99 2HD PHE 99 -7.809 -4.087 6.182 648 HD2 PHE 99 1HD PHE 99 -9.174 -0.194 5.134 649 HE1 PHE 99 2HE PHE 99 -10.077 -4.686 6.924 650 HE2 PHE 99 1HE PHE 99 -11.444 -0.787 5.874 651 HZ PHE 99 HZ PHE 99 -11.898 -3.035 6.769 652 H VAL 100 H VAL 100 -6.384 -0.771 1.588 653 HA VAL 100 HA VAL 100 -3.505 -0.601 1.654 654 HB VAL 100 HB VAL 100 -5.444 0.765 -0.217 655 HG11 VAL 100 1HG1 VAL 100 -3.459 1.910 -0.500 656 HG12 VAL 100 2HG1 VAL 100 -2.469 0.492 -0.151 657 HG13 VAL 100 3HG1 VAL 100 -3.309 0.624 -1.697 658 HG21 VAL 100 1HG2 VAL 100 -3.935 -1.822 -0.582 659 HG22 VAL 100 2HG2 VAL 100 -5.663 -1.686 -0.257 660 HG23 VAL 100 3HG2 VAL 100 -4.997 -1.055 -1.763 661 H ASN 101 H ASN 101 -2.711 0.692 3.218 662 HA ASN 101 HA ASN 101 -3.978 3.173 3.941 663 HB2 ASN 101 1HB ASN 101 -1.327 1.973 4.773 664 HB3 ASN 101 2HB ASN 101 -2.034 3.427 5.471 665 HD21 ASN 101 1HD2 ASN 101 -2.500 -0.023 5.012 666 HD22 ASN 101 2HD2 ASN 101 -3.509 -0.259 6.395 667 H ILE 102 H ILE 102 -3.870 4.816 2.547 668 HA ILE 102 HA ILE 102 -1.340 5.310 1.133 669 HB ILE 102 HB ILE 102 -4.079 6.433 0.533 670 HG12 ILE 102 1HG1 ILE 102 -2.514 4.286 -0.916 671 HG13 ILE 102 2HG1 ILE 102 -3.895 3.989 0.135 672 HG21 ILE 102 1HG2 ILE 102 -2.148 7.857 -0.121 673 HG22 ILE 102 2HG2 ILE 102 -1.569 6.532 -1.130 674 HG23 ILE 102 3HG2 ILE 102 -3.117 7.300 -1.485 675 HD11 ILE 102 1HD1 ILE 102 -5.036 4.027 -1.789 676 HD12 ILE 102 2HD1 ILE 102 -4.954 5.777 -1.585 677 HD13 ILE 102 3HD1 ILE 102 -3.795 4.955 -2.630 678 H LEU 103 H LEU 103 -0.082 6.659 2.251 679 HA LEU 103 HA LEU 103 -1.288 9.146 3.260 680 HB2 LEU 103 1HB LEU 103 0.735 8.925 4.958 681 HB3 LEU 103 2HB LEU 103 -0.853 8.232 5.283 682 HG LEU 103 HG LEU 103 0.226 6.103 4.154 683 HD11 LEU 103 1HD1 LEU 103 2.326 6.957 3.517 684 HD12 LEU 103 2HD1 LEU 103 2.629 5.968 4.946 685 HD13 LEU 103 3HD1 LEU 103 2.579 7.725 5.085 686 HD21 LEU 103 1HD2 LEU 103 -0.209 5.402 6.212 687 HD22 LEU 103 2HD2 LEU 103 -0.126 7.053 6.826 688 HD23 LEU 103 3HD2 LEU 103 1.335 6.067 6.745 689 H PHE 104 H PHE 104 -0.369 10.938 2.505 690 HA PHE 104 HA PHE 104 2.158 10.689 1.040 691 HB2 PHE 104 1HB PHE 104 -0.041 11.703 0.062 692 HB3 PHE 104 2HB PHE 104 0.420 13.133 0.980 693 HD1 PHE 104 1HD PHE 104 2.278 10.667 -1.121 694 HD2 PHE 104 2HD PHE 104 1.325 14.746 -0.366 695 HE1 PHE 104 1HE PHE 104 3.773 11.351 -2.951 696 HE2 PHE 104 2HE PHE 104 2.819 15.437 -2.196 697 HZ PHE 104 HZ PHE 104 4.044 13.739 -3.491 698 H GLU 105 H GLU 105 3.917 11.176 2.168 699 HA GLU 105 HA GLU 105 5.370 12.222 3.571 700 HB2 GLU 105 1HB GLU 105 3.488 14.512 3.009 701 HB3 GLU 105 2HB GLU 105 4.964 14.693 3.947 702 HG2 GLU 105 1HG GLU 105 5.068 13.503 1.212 703 HG3 GLU 105 2HG GLU 105 4.963 15.251 1.419 704 H GLU 106 H GLU 106 3.512 10.624 4.821 705 HA GLU 106 HA GLU 106 2.833 10.110 6.937 706 HB2 GLU 106 1HB GLU 106 3.735 12.832 7.853 707 HB3 GLU 106 2HB GLU 106 3.615 11.350 8.791 708 HG2 GLU 106 1HG GLU 106 5.434 10.426 7.282 709 HG3 GLU 106 2HG GLU 106 5.661 12.083 6.725 710 H VAL 107 H VAL 107 1.166 11.500 4.977 711 HA VAL 107 HA VAL 107 -0.840 12.583 6.840 712 HB VAL 107 HB VAL 107 -0.478 13.632 4.038 713 HG11 VAL 107 1HG1 VAL 107 -1.676 15.479 5.822 714 HG12 VAL 107 2HG1 VAL 107 -2.402 14.665 4.435 715 HG13 VAL 107 3HG1 VAL 107 -2.483 13.926 6.034 716 HG21 VAL 107 1HG2 VAL 107 0.342 15.224 6.417 717 HG22 VAL 107 2HG2 VAL 107 1.455 14.010 5.785 718 HG23 VAL 107 3HG2 VAL 107 0.899 15.323 4.746 719 H HIS 108 H HIS 108 -2.441 11.150 6.883 720 HA HIS 108 HA HIS 108 -2.958 9.259 4.849 721 HB2 HIS 108 1HB HIS 108 -4.270 10.085 7.383 722 HB3 HIS 108 2HB HIS 108 -5.265 9.217 6.218 723 HD1 HIS 108 1HD HIS 108 -5.110 6.742 6.299 724 HD2 HIS 108 2HD HIS 108 -1.832 8.567 8.084 725 HE1 HIS 108 1HE HIS 108 -3.760 4.871 7.298 726 HE2 HIS 108 2HE HIS 108 -1.827 6.006 8.446 727 H ILE 109 H ILE 109 -3.890 9.568 2.948 728 HA ILE 109 HA ILE 109 -5.138 12.004 2.215 729 HB ILE 109 HB ILE 109 -5.616 10.961 0.088 730 HG12 ILE 109 1HG1 ILE 109 -4.552 8.332 1.061 731 HG13 ILE 109 2HG1 ILE 109 -6.249 8.730 1.309 732 HG21 ILE 109 1HG2 ILE 109 -2.974 10.683 1.359 733 HG22 ILE 109 2HG2 ILE 109 -3.198 9.798 -0.149 734 HG23 ILE 109 3HG2 ILE 109 -3.447 11.544 -0.106 735 HD11 ILE 109 1HD1 ILE 109 -6.598 8.941 -1.051 736 HD12 ILE 109 2HD1 ILE 109 -4.875 8.735 -1.365 737 HD13 ILE 109 3HD1 ILE 109 -5.820 7.393 -0.721 738 HA PRO 110 HA PRO 110 -9.331 11.378 3.367 739 HB2 PRO 110 1HB PRO 110 -10.599 12.762 1.406 740 HB3 PRO 110 2HB PRO 110 -9.700 13.549 2.708 741 HG2 PRO 110 1HG PRO 110 -8.850 12.978 -0.105 742 HG3 PRO 110 2HG PRO 110 -8.606 14.444 0.862 743 HD2 PRO 110 1HD PRO 110 -6.661 12.595 0.505 744 HD3 PRO 110 2HD PRO 110 -6.808 13.551 1.994 745 H GLY 111 H GLY 111 -9.297 9.065 2.928 746 HA2 GLY 111 1HA GLY 111 -11.339 7.975 1.631 747 HA3 GLY 111 2HA GLY 111 -10.223 8.216 0.295 748 H SER 112 H SER 112 -8.129 7.735 2.626 749 HA SER 112 HA SER 112 -8.091 4.824 2.215 750 HB2 SER 112 1HB SER 112 -5.795 4.893 2.155 751 HB3 SER 112 2HB SER 112 -6.140 6.519 1.565 752 HG SER 112 HG SER 112 -5.505 5.777 4.231 753 HA PRO 113 HA PRO 113 -6.461 3.298 3.099 754 HB2 PRO 113 1HB PRO 113 -7.308 0.944 4.153 755 HB3 PRO 113 2HB PRO 113 -5.913 1.829 4.780 756 HG2 PRO 113 1HG PRO 113 -8.725 1.751 5.806 757 HG3 PRO 113 2HG PRO 113 -7.201 1.682 6.710 758 HD2 PRO 113 1HD PRO 113 -8.665 3.950 6.493 759 HD3 PRO 113 2HD PRO 113 -6.893 3.964 6.612 760 H PHE 114 H PHE 114 -7.321 1.501 1.695 761 HA PHE 114 HA PHE 114 -10.157 1.999 1.075 762 HB2 PHE 114 1HB PHE 114 -7.792 1.443 -0.701 763 HB3 PHE 114 2HB PHE 114 -9.438 1.164 -1.261 764 HD1 PHE 114 1HD PHE 114 -7.203 3.775 0.137 765 HD2 PHE 114 2HD PHE 114 -10.705 2.914 -2.124 766 HE1 PHE 114 1HE PHE 114 -7.390 6.152 -0.471 767 HE2 PHE 114 2HE PHE 114 -10.898 5.289 -2.736 768 HZ PHE 114 HZ PHE 114 -9.239 6.911 -1.911 769 H LYS 115 H LYS 115 -11.123 0.362 2.196 770 HA LYS 115 HA LYS 115 -10.208 -2.241 2.521 771 HB2 LYS 115 1HB LYS 115 -12.134 -1.157 3.723 772 HB3 LYS 115 2HB LYS 115 -13.108 -1.425 2.284 773 HG2 LYS 115 1HG LYS 115 -12.352 -3.907 2.592 774 HG3 LYS 115 2HG LYS 115 -12.054 -3.394 4.255 775 HD2 LYS 115 1HD LYS 115 -14.667 -2.883 2.855 776 HD3 LYS 115 2HD LYS 115 -14.348 -4.374 3.744 777 HE2 LYS 115 1HE LYS 115 -14.056 -3.187 5.785 778 HE3 LYS 115 2HE LYS 115 -14.040 -1.633 4.952 779 HZ1 LYS 115 1HZ LYS 115 -16.197 -2.690 6.128 780 HZ2 LYS 115 2HZ LYS 115 -16.425 -3.219 4.538 781 HZ3 LYS 115 3HZ LYS 115 -16.265 -1.566 4.865 782 H ALA 116 H ALA 116 -9.792 -3.760 1.072 783 HA ALA 116 HA ALA 116 -11.389 -3.821 -1.406 784 HB1 ALA 116 1HB ALA 116 -8.937 -5.241 -1.724 785 HB2 ALA 116 2HB ALA 116 -9.506 -3.805 -2.577 786 HB3 ALA 116 3HB ALA 116 -8.590 -3.636 -1.079 787 H ASP 117 H ASP 117 -12.890 -5.355 -1.064 788 HA ASP 117 HA ASP 117 -12.377 -7.723 0.464 789 HB2 ASP 117 1HB ASP 117 -14.696 -6.680 -1.121 790 HB3 ASP 117 2HB ASP 117 -14.679 -8.366 -0.612 791 H ILE 118 H ILE 118 -11.195 -9.353 -0.270 792 HA ILE 118 HA ILE 118 -10.992 -9.834 -3.140 793 HB ILE 118 HB ILE 118 -9.500 -11.092 -0.834 794 HG12 ILE 118 1HG1 ILE 118 -8.989 -8.699 -1.231 795 HG13 ILE 118 2HG1 ILE 118 -7.615 -9.745 -1.575 796 HG21 ILE 118 1HG2 ILE 118 -9.738 -11.844 -3.618 797 HG22 ILE 118 2HG2 ILE 118 -8.068 -11.493 -3.175 798 HG23 ILE 118 3HG2 ILE 118 -8.982 -12.705 -2.277 799 HD11 ILE 118 1HD1 ILE 118 -7.480 -8.951 -3.631 800 HD12 ILE 118 2HD1 ILE 118 -9.162 -9.374 -3.951 801 HD13 ILE 118 3HD1 ILE 118 -8.767 -7.811 -3.237 802 H GLU 119 H GLU 119 -11.910 -11.502 -4.172 803 HA GLU 119 HA GLU 119 -13.301 -13.520 -2.537 804 HB2 GLU 119 1HB GLU 119 -14.048 -12.472 -5.273 805 HB3 GLU 119 2HB GLU 119 -14.906 -13.732 -4.397 806 HG2 GLU 119 1HG GLU 119 -15.149 -11.946 -2.544 807 HG3 GLU 119 2HG GLU 119 -14.762 -10.804 -3.830 808 H MET 120 H MET 120 -13.603 -15.640 -3.627 809 HA MET 120 HA MET 120 -11.082 -16.537 -4.690 810 HB2 MET 120 1HB MET 120 -13.643 -17.900 -3.909 811 HB3 MET 120 2HB MET 120 -12.388 -18.773 -4.777 812 HG2 MET 120 1HG MET 120 -10.843 -17.868 -2.886 813 HG3 MET 120 2HG MET 120 -12.359 -17.666 -2.012 814 HE1 MET 120 1HE MET 120 -9.727 -21.057 -2.343 815 HE2 MET 120 2HE MET 120 -9.560 -19.308 -2.189 816 HE3 MET 120 3HE MET 120 -10.070 -20.271 -0.801 817 HA PRO 121 HA PRO 121 -12.149 -16.150 -8.959 818 HB2 PRO 121 1HB PRO 121 -10.201 -17.746 -9.971 819 HB3 PRO 121 2HB PRO 121 -9.886 -16.119 -9.355 820 HG2 PRO 121 1HG PRO 121 -9.483 -18.764 -8.011 821 HG3 PRO 121 2HG PRO 121 -8.420 -17.344 -8.030 822 HD2 PRO 121 1HD PRO 121 -10.033 -17.930 -5.935 823 HD3 PRO 121 2HD PRO 121 -9.627 -16.263 -6.391 824 H PHE 122 H PHE 122 -13.017 -17.371 -10.685 825 HA PHE 122 HA PHE 122 -14.177 -19.914 -9.834 826 HB2 PHE 122 1HB PHE 122 -14.884 -17.852 -11.874 827 HB3 PHE 122 2HB PHE 122 -15.424 -19.507 -12.136 828 HD1 PHE 122 2HD PHE 122 -15.228 -17.191 -9.210 829 HD2 PHE 122 1HD PHE 122 -17.599 -19.858 -11.532 830 HE1 PHE 122 2HE PHE 122 -17.135 -16.802 -7.705 831 HE2 PHE 122 1HE PHE 122 -19.509 -19.472 -10.030 832 HZ PHE 122 HZ PHE 122 -19.278 -17.944 -8.113 833 H ASP 123 H ASP 123 -14.444 -21.593 -11.600 834 HA ASP 123 HA ASP 123 -12.031 -21.731 -13.281 835 HB2 ASP 123 1HB ASP 123 -12.162 -23.200 -11.088 836 HB3 ASP 123 2HB ASP 123 -13.169 -24.230 -12.102 837 HA PRO 124 HA PRO 124 -15.795 -22.339 -15.889 838 HB2 PRO 124 1HB PRO 124 -14.853 -20.877 -17.973 839 HB3 PRO 124 2HB PRO 124 -15.697 -20.156 -16.598 840 HG2 PRO 124 1HG PRO 124 -12.758 -20.325 -17.139 841 HG3 PRO 124 2HG PRO 124 -13.705 -18.958 -16.524 842 HD2 PRO 124 1HD PRO 124 -12.237 -20.557 -14.906 843 HD3 PRO 124 2HD PRO 124 -13.748 -19.791 -14.375 844 H SER 125 H SER 125 -16.046 -23.716 -17.630 845 HA SER 125 HA SER 125 -13.650 -25.226 -18.378 846 HB2 SER 125 1HB SER 125 -16.590 -25.888 -18.659 847 HB3 SER 125 2HB SER 125 -15.276 -26.931 -19.202 848 HG SER 125 HG SER 125 -15.283 -26.017 -16.553 849 H SER 126 H SER 126 -13.397 -25.933 -20.609 850 HA SER 126 HA SER 126 -14.617 -24.104 -22.565 851 HB2 SER 126 1HB SER 126 -11.705 -24.744 -22.163 852 HB3 SER 126 2HB SER 126 -12.309 -24.239 -23.741 853 HG SER 126 HG SER 126 -13.005 -22.722 -21.496 854 H GLY 127 H GLY 127 -14.684 -24.901 -24.747 855 HA2 GLY 127 1HA GLY 127 -13.927 -27.002 -26.059 856 HA3 GLY 127 2HA GLY 127 -14.843 -27.837 -24.813 857 HA PRO 128 HA PRO 128 -17.515 -26.074 -28.419 858 HB2 PRO 128 1HB PRO 128 -17.385 -28.095 -30.228 859 HB3 PRO 128 2HB PRO 128 -16.290 -26.708 -30.257 860 HG2 PRO 128 1HG PRO 128 -15.833 -29.458 -29.168 861 HG3 PRO 128 2HG PRO 128 -14.745 -28.441 -30.130 862 HD2 PRO 128 1HD PRO 128 -14.513 -28.688 -27.443 863 HD3 PRO 128 2HD PRO 128 -14.094 -27.193 -28.304 864 H SER 129 H SER 129 -17.075 -29.229 -26.974 865 HA SER 129 HA SER 129 -19.836 -30.001 -27.438 866 HB2 SER 129 1HB SER 129 -17.531 -31.360 -26.033 867 HB3 SER 129 2HB SER 129 -19.158 -32.039 -26.090 868 HG SER 129 HG SER 129 -17.358 -32.446 -27.843 869 H SER 130 H SER 130 -21.206 -28.771 -26.260 870 HA SER 130 HA SER 130 -21.160 -29.125 -23.382 871 HB2 SER 130 1HB SER 130 -21.219 -26.787 -22.823 872 HB3 SER 130 2HB SER 130 -19.804 -27.052 -23.842 873 HG SER 130 HG SER 130 -22.301 -26.193 -24.867 874 H GLY 131 H GLY 131 -23.161 -28.145 -22.371 875 HA2 GLY 131 1HA GLY 131 -25.419 -27.411 -22.592 876 HA3 GLY 131 2HA GLY 131 -25.389 -27.927 -24.272 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -48.223 36.849 -20.189 2 HA2 GLY 1 1HA GLY 1 -46.580 34.551 -19.336 3 HA3 GLY 1 2HA GLY 1 -46.470 35.330 -20.907 4 H SER 2 H SER 2 -44.199 35.548 -20.561 5 HA SER 2 HA SER 2 -43.552 37.882 -18.898 6 HB2 SER 2 1HB SER 2 -42.074 35.250 -18.980 7 HB3 SER 2 2HB SER 2 -41.332 36.737 -18.391 8 HG SER 2 HG SER 2 -42.722 36.782 -16.711 9 H SER 3 H SER 3 -41.728 39.099 -19.607 10 HA SER 3 HA SER 3 -41.471 39.141 -22.471 11 HB2 SER 3 1HB SER 3 -41.595 41.242 -21.231 12 HB3 SER 3 2HB SER 3 -40.134 40.824 -20.337 13 HG SER 3 HG SER 3 -39.339 40.615 -22.729 14 H GLY 4 H GLY 4 -39.230 38.644 -19.747 15 HA2 GLY 4 1HA GLY 4 -37.394 37.222 -19.656 16 HA3 GLY 4 2HA GLY 4 -37.664 36.810 -21.343 17 H SER 5 H SER 5 -36.444 39.381 -19.231 18 HA SER 5 HA SER 5 -34.413 39.971 -21.265 19 HB2 SER 5 1HB SER 5 -34.676 42.416 -20.741 20 HB3 SER 5 2HB SER 5 -36.053 41.705 -21.581 21 HG SER 5 HG SER 5 -36.665 43.025 -19.790 22 H SER 6 H SER 6 -32.420 40.052 -20.455 23 HA SER 6 HA SER 6 -31.755 41.123 -17.921 24 HB2 SER 6 1HB SER 6 -31.151 39.142 -16.702 25 HB3 SER 6 2HB SER 6 -32.821 38.946 -17.232 26 HG SER 6 HG SER 6 -30.558 37.545 -17.954 27 H GLY 7 H GLY 7 -29.436 40.865 -17.418 28 HA2 GLY 7 1HA GLY 7 -27.618 39.639 -19.185 29 HA3 GLY 7 2HA GLY 7 -27.834 41.314 -19.672 30 H ASP 8 H ASP 8 -25.486 39.873 -18.562 31 HA ASP 8 HA ASP 8 -24.608 41.931 -16.796 32 HB2 ASP 8 1HB ASP 8 -24.146 40.469 -14.841 33 HB3 ASP 8 2HB ASP 8 -25.868 40.679 -15.147 34 H VAL 9 H VAL 9 -22.440 42.117 -16.881 35 HA VAL 9 HA VAL 9 -20.868 39.816 -17.815 36 HB VAL 9 HB VAL 9 -21.288 41.219 -19.772 37 HG11 VAL 9 1HG1 VAL 9 -20.949 43.335 -17.921 38 HG12 VAL 9 2HG1 VAL 9 -19.706 43.503 -19.162 39 HG13 VAL 9 3HG1 VAL 9 -21.408 43.429 -19.621 40 HG21 VAL 9 1HG2 VAL 9 -18.450 41.818 -19.111 41 HG22 VAL 9 2HG2 VAL 9 -18.969 40.133 -19.126 42 HG23 VAL 9 3HG2 VAL 9 -19.147 41.123 -20.575 43 H THR 10 H THR 10 -18.988 39.531 -16.772 44 HA THR 10 HA THR 10 -17.660 41.729 -15.433 45 HB THR 10 HB THR 10 -19.277 41.060 -13.727 46 HG1 THR 10 1HG THR 10 -17.762 41.242 -12.247 47 HG21 THR 10 1HG2 THR 10 -17.975 38.356 -13.612 48 HG22 THR 10 2HG2 THR 10 -19.388 38.652 -14.625 49 HG23 THR 10 3HG2 THR 10 -19.488 38.887 -12.880 50 H TYR 11 H TYR 11 -15.508 41.287 -14.897 51 HA TYR 11 HA TYR 11 -14.366 38.690 -15.056 52 HB2 TYR 11 1HB TYR 11 -14.876 39.434 -17.513 53 HB3 TYR 11 2HB TYR 11 -13.455 40.452 -17.304 54 HD1 TYR 11 1HD TYR 11 -14.452 36.907 -16.631 55 HD2 TYR 11 2HD TYR 11 -11.464 39.580 -18.057 56 HE1 TYR 11 1HE TYR 11 -13.008 34.992 -17.176 57 HE2 TYR 11 2HE TYR 11 -10.012 37.672 -18.607 58 HH TYR 11 HH TYR 11 -9.771 35.244 -17.777 59 H ASP 12 H ASP 12 -11.921 38.819 -15.040 60 HA ASP 12 HA ASP 12 -10.976 41.355 -13.896 61 HB2 ASP 12 1HB ASP 12 -9.602 39.867 -12.293 62 HB3 ASP 12 2HB ASP 12 -11.310 40.113 -11.939 63 H GLY 13 H GLY 13 -9.307 42.068 -15.037 64 HA2 GLY 13 1HA GLY 13 -7.660 40.109 -16.494 65 HA3 GLY 13 2HA GLY 13 -7.833 41.806 -16.917 66 H HIS 14 H HIS 14 -5.772 39.595 -15.630 67 HA HIS 14 HA HIS 14 -4.150 41.707 -14.414 68 HB2 HIS 14 1HB HIS 14 -5.478 40.188 -12.724 69 HB3 HIS 14 2HB HIS 14 -4.204 39.027 -13.084 70 HD1 HIS 14 1HD HIS 14 -4.987 41.560 -10.742 71 HD2 HIS 14 2HD HIS 14 -1.513 40.407 -12.707 72 HE1 HIS 14 1HE HIS 14 -3.097 42.506 -9.378 73 HE2 HIS 14 2HE HIS 14 -1.009 41.867 -10.633 74 HA PRO 15 HA PRO 15 -1.124 39.840 -17.051 75 HB2 PRO 15 1HB PRO 15 1.021 41.231 -16.136 76 HB3 PRO 15 2HB PRO 15 -0.199 41.938 -17.202 77 HG2 PRO 15 1HG PRO 15 0.085 42.170 -14.230 78 HG3 PRO 15 2HG PRO 15 -0.306 43.427 -15.418 79 HD2 PRO 15 1HD PRO 15 -2.194 42.225 -13.894 80 HD3 PRO 15 2HD PRO 15 -2.520 42.798 -15.543 81 H VAL 16 H VAL 16 -0.173 37.924 -16.814 82 HA VAL 16 HA VAL 16 0.717 37.091 -14.151 83 HB VAL 16 HB VAL 16 0.741 34.815 -15.041 84 HG11 VAL 16 1HG1 VAL 16 -1.840 35.085 -15.962 85 HG12 VAL 16 2HG1 VAL 16 -1.354 34.919 -14.274 86 HG13 VAL 16 3HG1 VAL 16 -1.615 36.521 -14.964 87 HG21 VAL 16 1HG2 VAL 16 0.965 36.082 -17.516 88 HG22 VAL 16 2HG2 VAL 16 0.828 34.350 -17.216 89 HG23 VAL 16 3HG2 VAL 16 -0.619 35.306 -17.536 90 HA PRO 17 HA PRO 17 4.980 37.462 -15.187 91 HB2 PRO 17 1HB PRO 17 6.010 35.667 -13.429 92 HB3 PRO 17 2HB PRO 17 5.390 37.248 -12.936 93 HG2 PRO 17 1HG PRO 17 4.058 34.570 -12.815 94 HG3 PRO 17 2HG PRO 17 4.079 35.865 -11.604 95 HD2 PRO 17 1HD PRO 17 1.975 35.449 -13.258 96 HD3 PRO 17 2HD PRO 17 2.428 37.064 -12.676 97 H GLY 18 H GLY 18 6.946 35.860 -15.482 98 HA2 GLY 18 1HA GLY 18 6.416 34.317 -17.769 99 HA3 GLY 18 2HA GLY 18 7.905 34.275 -16.836 100 H SER 19 H SER 19 4.908 32.716 -17.512 101 HA SER 19 HA SER 19 4.908 30.891 -15.334 102 HB2 SER 19 1HB SER 19 3.423 31.198 -17.880 103 HB3 SER 19 2HB SER 19 3.490 29.566 -17.214 104 HG SER 19 HG SER 19 1.850 30.309 -16.094 105 HA PRO 20 HA PRO 20 6.831 27.766 -18.471 106 HB2 PRO 20 1HB PRO 20 7.690 28.750 -20.852 107 HB3 PRO 20 2HB PRO 20 6.044 28.158 -20.594 108 HG2 PRO 20 1HG PRO 20 7.068 30.971 -20.595 109 HG3 PRO 20 2HG PRO 20 5.589 30.319 -21.324 110 HD2 PRO 20 1HD PRO 20 5.587 31.640 -18.961 111 HD3 PRO 20 2HD PRO 20 4.447 30.328 -19.322 112 H TYR 21 H TYR 21 7.985 30.671 -17.405 113 HA TYR 21 HA TYR 21 10.787 29.886 -17.870 114 HB2 TYR 21 1HB TYR 21 9.772 32.173 -18.749 115 HB3 TYR 21 2HB TYR 21 10.085 32.681 -17.093 116 HD1 TYR 21 1HD TYR 21 12.402 32.696 -16.221 117 HD2 TYR 21 2HD TYR 21 11.559 31.845 -20.303 118 HE1 TYR 21 1HE TYR 21 14.758 33.115 -16.788 119 HE2 TYR 21 2HE TYR 21 13.912 32.261 -20.882 120 HH TYR 21 HH TYR 21 15.842 33.395 -20.039 121 H THR 22 H THR 22 9.374 28.712 -15.809 122 HA THR 22 HA THR 22 10.977 29.472 -13.555 123 HB THR 22 HB THR 22 7.982 29.702 -13.220 124 HG1 THR 22 1HG THR 22 9.924 31.790 -13.251 125 HG21 THR 22 1HG2 THR 22 10.165 30.570 -11.335 126 HG22 THR 22 2HG2 THR 22 9.420 28.973 -11.261 127 HG23 THR 22 3HG2 THR 22 8.440 30.417 -11.008 128 H VAL 23 H VAL 23 11.197 27.825 -12.088 129 HA VAL 23 HA VAL 23 10.302 25.231 -12.923 130 HB VAL 23 HB VAL 23 11.791 26.049 -10.424 131 HG11 VAL 23 1HG1 VAL 23 11.679 23.940 -9.735 132 HG12 VAL 23 2HG1 VAL 23 10.527 23.622 -11.033 133 HG13 VAL 23 3HG1 VAL 23 12.251 23.352 -11.296 134 HG21 VAL 23 1HG2 VAL 23 13.662 24.859 -11.841 135 HG22 VAL 23 2HG2 VAL 23 12.644 25.357 -13.193 136 HG23 VAL 23 3HG2 VAL 23 13.288 26.566 -12.082 137 H GLU 24 H GLU 24 8.557 24.150 -12.277 138 HA GLU 24 HA GLU 24 6.991 25.252 -10.047 139 HB2 GLU 24 1HB GLU 24 6.240 23.685 -12.498 140 HB3 GLU 24 2HB GLU 24 5.168 23.743 -11.106 141 HG2 GLU 24 1HG GLU 24 5.397 26.296 -11.303 142 HG3 GLU 24 2HG GLU 24 6.013 25.964 -12.921 143 H ALA 25 H ALA 25 9.266 23.572 -9.591 144 HA ALA 25 HA ALA 25 8.010 21.084 -8.646 145 HB1 ALA 25 1HB ALA 25 9.832 20.562 -10.056 146 HB2 ALA 25 2HB ALA 25 10.873 21.756 -9.279 147 HB3 ALA 25 3HB ALA 25 10.401 20.297 -8.408 148 H SER 26 H SER 26 7.737 23.635 -7.291 149 HA SER 26 HA SER 26 9.026 22.917 -4.745 150 HB2 SER 26 1HB SER 26 8.901 25.591 -6.100 151 HB3 SER 26 2HB SER 26 8.957 25.502 -4.340 152 HG SER 26 HG SER 26 10.824 23.925 -4.970 153 H LEU 27 H LEU 27 6.570 21.967 -5.281 154 HA LEU 27 HA LEU 27 4.706 23.780 -3.903 155 HB2 LEU 27 1HB LEU 27 4.267 21.491 -5.797 156 HB3 LEU 27 2HB LEU 27 2.970 22.133 -4.792 157 HG LEU 27 HG LEU 27 4.519 23.769 -6.797 158 HD11 LEU 27 1HD1 LEU 27 1.953 23.505 -7.739 159 HD12 LEU 27 2HD1 LEU 27 2.325 21.886 -7.147 160 HD13 LEU 27 3HD1 LEU 27 3.371 22.649 -8.346 161 HD21 LEU 27 1HD2 LEU 27 3.386 25.529 -6.044 162 HD22 LEU 27 2HD2 LEU 27 2.903 24.535 -4.670 163 HD23 LEU 27 3HD2 LEU 27 1.858 24.649 -6.087 164 HA PRO 28 HA PRO 28 4.775 21.177 -0.354 165 HB2 PRO 28 1HB PRO 28 2.365 21.834 0.710 166 HB3 PRO 28 2HB PRO 28 3.762 22.916 0.755 167 HG2 PRO 28 1HG PRO 28 1.424 22.920 -1.115 168 HG3 PRO 28 2HG PRO 28 2.222 24.288 -0.318 169 HD2 PRO 28 1HD PRO 28 2.698 23.626 -2.900 170 HD3 PRO 28 2HD PRO 28 3.940 24.343 -1.854 171 HA PRO 29 HA PRO 29 2.607 17.462 -1.300 172 HB2 PRO 29 1HB PRO 29 2.453 16.346 1.170 173 HB3 PRO 29 2HB PRO 29 3.959 16.436 0.249 174 HG2 PRO 29 1HG PRO 29 2.984 18.201 2.462 175 HG3 PRO 29 2HG PRO 29 4.606 17.537 2.192 176 HD2 PRO 29 1HD PRO 29 3.949 20.084 1.549 177 HD3 PRO 29 2HD PRO 29 5.141 19.144 0.629 178 H ASP 30 H ASP 30 0.543 17.865 -1.941 179 HA ASP 30 HA ASP 30 -1.461 18.439 0.133 180 HB2 ASP 30 1HB ASP 30 -1.647 18.776 -2.869 181 HB3 ASP 30 2HB ASP 30 -2.907 19.193 -1.711 182 HA PRO 31 HA PRO 31 -2.241 14.015 -0.761 183 HB2 PRO 31 1HB PRO 31 -3.186 13.469 1.724 184 HB3 PRO 31 2HB PRO 31 -1.463 13.478 1.333 185 HG2 PRO 31 1HG PRO 31 -3.121 15.602 2.637 186 HG3 PRO 31 2HG PRO 31 -1.495 15.035 3.060 187 HD2 PRO 31 1HD PRO 31 -1.925 17.310 1.655 188 HD3 PRO 31 2HD PRO 31 -0.490 16.293 1.410 189 H SER 32 H SER 32 -4.172 16.685 0.160 190 HA SER 32 HA SER 32 -6.688 15.348 0.305 191 HB2 SER 32 1HB SER 32 -5.847 18.224 0.054 192 HB3 SER 32 2HB SER 32 -7.544 17.769 -0.092 193 HG SER 32 HG SER 32 -6.641 18.333 2.089 194 H LYS 33 H LYS 33 -4.646 16.178 -2.258 195 HA LYS 33 HA LYS 33 -6.819 16.306 -4.211 196 HB2 LYS 33 1HB LYS 33 -3.837 16.698 -4.517 197 HB3 LYS 33 2HB LYS 33 -4.999 16.820 -5.832 198 HG2 LYS 33 1HG LYS 33 -5.243 18.516 -3.374 199 HG3 LYS 33 2HG LYS 33 -4.199 18.979 -4.720 200 HD2 LYS 33 1HD LYS 33 -6.013 19.155 -6.206 201 HD3 LYS 33 2HD LYS 33 -7.089 18.263 -5.128 202 HE2 LYS 33 1HE LYS 33 -7.387 20.073 -3.719 203 HE3 LYS 33 2HE LYS 33 -5.884 20.844 -4.223 204 HZ1 LYS 33 1HZ LYS 33 -6.843 21.663 -6.134 205 HZ2 LYS 33 2HZ LYS 33 -8.123 21.791 -5.036 206 HZ3 LYS 33 3HZ LYS 33 -8.088 20.517 -6.148 207 H VAL 34 H VAL 34 -4.148 14.271 -3.198 208 HA VAL 34 HA VAL 34 -3.864 12.504 -5.256 209 HB VAL 34 HB VAL 34 -3.920 11.923 -2.296 210 HG11 VAL 34 1HG1 VAL 34 -2.890 9.799 -2.747 211 HG12 VAL 34 2HG1 VAL 34 -4.410 9.891 -3.640 212 HG13 VAL 34 3HG1 VAL 34 -2.876 10.126 -4.480 213 HG21 VAL 34 1HG2 VAL 34 -2.082 13.253 -2.603 214 HG22 VAL 34 2HG2 VAL 34 -1.374 11.672 -2.939 215 HG23 VAL 34 3HG2 VAL 34 -1.843 12.729 -4.270 216 H LYS 35 H LYS 35 -5.382 11.558 -6.443 217 HA LYS 35 HA LYS 35 -7.808 10.556 -5.116 218 HB2 LYS 35 1HB LYS 35 -7.268 11.330 -7.982 219 HB3 LYS 35 2HB LYS 35 -8.728 10.491 -7.476 220 HG2 LYS 35 1HG LYS 35 -8.956 12.464 -5.797 221 HG3 LYS 35 2HG LYS 35 -7.855 13.286 -6.905 222 HD2 LYS 35 1HD LYS 35 -9.376 13.158 -8.686 223 HD3 LYS 35 2HD LYS 35 -10.343 11.917 -7.885 224 HE2 LYS 35 1HE LYS 35 -10.039 14.680 -6.746 225 HE3 LYS 35 2HE LYS 35 -11.275 14.299 -7.945 226 HZ1 LYS 35 1HZ LYS 35 -12.385 13.963 -5.979 227 HZ2 LYS 35 2HZ LYS 35 -11.029 13.355 -5.171 228 HZ3 LYS 35 3HZ LYS 35 -11.838 12.395 -6.306 229 H ALA 36 H ALA 36 -7.993 8.440 -4.835 230 HA ALA 36 HA ALA 36 -6.402 6.649 -6.553 231 HB1 ALA 36 1HB ALA 36 -5.519 6.095 -4.554 232 HB2 ALA 36 2HB ALA 36 -6.919 6.676 -3.652 233 HB3 ALA 36 3HB ALA 36 -6.966 5.094 -4.429 234 H HIS 37 H HIS 37 -7.742 5.935 -8.104 235 HA HIS 37 HA HIS 37 -10.251 4.665 -7.242 236 HB2 HIS 37 1HB HIS 37 -11.181 5.409 -9.509 237 HB3 HIS 37 2HB HIS 37 -11.027 6.644 -8.263 238 HD1 HIS 37 1HD HIS 37 -9.301 5.440 -11.405 239 HD2 HIS 37 2HD HIS 37 -9.452 8.781 -8.940 240 HE1 HIS 37 1HE HIS 37 -7.992 7.221 -12.605 241 HE2 HIS 37 2HE HIS 37 -8.026 9.206 -11.056 242 H GLY 38 H GLY 38 -10.662 2.690 -8.096 243 HA2 GLY 38 1HA GLY 38 -9.993 1.593 -10.484 244 HA3 GLY 38 2HA GLY 38 -8.520 1.405 -9.544 245 HA PRO 39 HA PRO 39 -11.501 -2.167 -8.807 246 HB2 PRO 39 1HB PRO 39 -9.899 -4.120 -9.805 247 HB3 PRO 39 2HB PRO 39 -11.056 -3.225 -10.798 248 HG2 PRO 39 1HG PRO 39 -8.104 -2.824 -10.502 249 HG3 PRO 39 2HG PRO 39 -9.095 -2.795 -11.972 250 HD2 PRO 39 1HD PRO 39 -8.269 -0.536 -10.728 251 HD3 PRO 39 2HD PRO 39 -9.814 -0.637 -11.597 252 H GLY 40 H GLY 40 -7.933 -2.273 -8.636 253 HA2 GLY 40 1HA GLY 40 -7.555 -4.100 -6.646 254 HA3 GLY 40 2HA GLY 40 -6.548 -2.672 -6.838 255 H LEU 41 H LEU 41 -8.894 -0.906 -6.304 256 HA LEU 41 HA LEU 41 -8.556 -0.758 -3.464 257 HB2 LEU 41 1HB LEU 41 -10.487 0.782 -5.186 258 HB3 LEU 41 2HB LEU 41 -9.918 1.216 -3.576 259 HG LEU 41 HG LEU 41 -8.190 1.119 -6.048 260 HD11 LEU 41 1HD1 LEU 41 -8.629 3.280 -6.450 261 HD12 LEU 41 2HD1 LEU 41 -8.723 3.687 -4.737 262 HD13 LEU 41 3HD1 LEU 41 -10.113 2.967 -5.549 263 HD21 LEU 41 1HD2 LEU 41 -6.697 0.831 -4.331 264 HD22 LEU 41 2HD2 LEU 41 -7.692 1.709 -3.169 265 HD23 LEU 41 3HD2 LEU 41 -6.782 2.591 -4.397 266 H GLU 42 H GLU 42 -11.334 -1.384 -5.601 267 HA GLU 42 HA GLU 42 -13.167 -1.885 -3.504 268 HB2 GLU 42 1HB GLU 42 -13.215 -2.749 -6.400 269 HB3 GLU 42 2HB GLU 42 -14.569 -2.909 -5.290 270 HG2 GLU 42 1HG GLU 42 -13.289 -0.258 -5.848 271 HG3 GLU 42 2HG GLU 42 -14.561 -0.917 -6.875 272 H GLY 43 H GLY 43 -11.028 -3.960 -5.391 273 HA2 GLY 43 1HA GLY 43 -10.380 -5.861 -3.660 274 HA3 GLY 43 2HA GLY 43 -12.028 -6.344 -4.036 275 H GLY 44 H GLY 44 -10.868 -8.332 -4.739 276 HA2 GLY 44 1HA GLY 44 -10.704 -8.398 -7.572 277 HA3 GLY 44 2HA GLY 44 -9.094 -8.461 -6.870 278 H LEU 45 H LEU 45 -8.389 -10.486 -6.972 279 HA LEU 45 HA LEU 45 -10.080 -12.599 -5.851 280 HB2 LEU 45 1HB LEU 45 -8.598 -12.795 -8.469 281 HB3 LEU 45 2HB LEU 45 -9.409 -14.132 -7.655 282 HG LEU 45 HG LEU 45 -10.969 -11.703 -8.434 283 HD11 LEU 45 1HD1 LEU 45 -9.787 -13.725 -10.248 284 HD12 LEU 45 2HD1 LEU 45 -10.203 -12.037 -10.543 285 HD13 LEU 45 3HD1 LEU 45 -11.467 -13.266 -10.526 286 HD21 LEU 45 1HD2 LEU 45 -12.425 -13.995 -8.903 287 HD22 LEU 45 2HD2 LEU 45 -12.523 -12.977 -7.466 288 HD23 LEU 45 3HD2 LEU 45 -11.478 -14.399 -7.471 289 H VAL 46 H VAL 46 -8.850 -14.552 -5.282 290 HA VAL 46 HA VAL 46 -6.460 -13.885 -3.899 291 HB VAL 46 HB VAL 46 -7.633 -16.613 -4.454 292 HG11 VAL 46 1HG1 VAL 46 -6.331 -17.006 -2.202 293 HG12 VAL 46 2HG1 VAL 46 -5.512 -17.133 -3.760 294 HG13 VAL 46 3HG1 VAL 46 -5.351 -15.666 -2.794 295 HG21 VAL 46 1HG2 VAL 46 -8.808 -14.614 -3.042 296 HG22 VAL 46 2HG2 VAL 46 -9.056 -16.333 -2.735 297 HG23 VAL 46 3HG2 VAL 46 -7.882 -15.427 -1.780 298 H GLY 47 H GLY 47 -4.346 -14.684 -4.213 299 HA2 GLY 47 1HA GLY 47 -2.487 -14.970 -5.545 300 HA3 GLY 47 2HA GLY 47 -3.381 -16.358 -6.146 301 H LYS 48 H LYS 48 -4.591 -13.129 -6.599 302 HA LYS 48 HA LYS 48 -3.782 -13.243 -9.430 303 HB2 LYS 48 1HB LYS 48 -6.466 -12.812 -8.215 304 HB3 LYS 48 2HB LYS 48 -6.067 -11.888 -9.657 305 HG2 LYS 48 1HG LYS 48 -5.334 -14.280 -10.531 306 HG3 LYS 48 2HG LYS 48 -6.516 -14.798 -9.326 307 HD2 LYS 48 1HD LYS 48 -7.901 -14.553 -11.124 308 HD3 LYS 48 2HD LYS 48 -7.971 -12.909 -10.484 309 HE2 LYS 48 1HE LYS 48 -5.828 -13.564 -12.437 310 HE3 LYS 48 2HE LYS 48 -7.476 -13.402 -13.041 311 HZ1 LYS 48 1HZ LYS 48 -6.843 -11.275 -11.279 312 HZ2 LYS 48 2HZ LYS 48 -7.331 -11.210 -12.896 313 HZ3 LYS 48 3HZ LYS 48 -5.691 -11.368 -12.514 314 HA PRO 49 HA PRO 49 -2.186 -9.183 -8.886 315 HB2 PRO 49 1HB PRO 49 -2.408 -8.241 -11.422 316 HB3 PRO 49 2HB PRO 49 -1.202 -9.442 -10.946 317 HG2 PRO 49 1HG PRO 49 -3.841 -9.842 -12.302 318 HG3 PRO 49 2HG PRO 49 -2.277 -10.601 -12.651 319 HD2 PRO 49 1HD PRO 49 -4.220 -11.852 -11.240 320 HD3 PRO 49 2HD PRO 49 -2.493 -12.127 -10.938 321 H ALA 50 H ALA 50 -3.055 -7.385 -8.074 322 HA ALA 50 HA ALA 50 -5.537 -6.336 -9.237 323 HB1 ALA 50 1HB ALA 50 -6.750 -6.808 -7.444 324 HB2 ALA 50 2HB ALA 50 -5.360 -7.616 -6.718 325 HB3 ALA 50 3HB ALA 50 -5.629 -5.898 -6.430 326 H GLU 51 H GLU 51 -5.199 -4.305 -9.830 327 HA GLU 51 HA GLU 51 -3.568 -2.575 -8.106 328 HB2 GLU 51 1HB GLU 51 -2.752 -1.503 -10.303 329 HB3 GLU 51 2HB GLU 51 -2.020 -3.019 -9.797 330 HG2 GLU 51 1HG GLU 51 -3.709 -4.163 -11.309 331 HG3 GLU 51 2HG GLU 51 -4.039 -2.561 -11.966 332 H PHE 52 H PHE 52 -3.787 -0.200 -9.009 333 HA PHE 52 HA PHE 52 -6.450 0.352 -10.039 334 HB2 PHE 52 1HB PHE 52 -6.694 2.064 -8.079 335 HB3 PHE 52 2HB PHE 52 -7.123 0.376 -7.818 336 HD1 PHE 52 1HD PHE 52 -5.149 -1.131 -6.940 337 HD2 PHE 52 2HD PHE 52 -5.341 3.102 -6.545 338 HE1 PHE 52 1HE PHE 52 -3.577 -1.240 -5.050 339 HE2 PHE 52 2HE PHE 52 -3.769 3.001 -4.655 340 HZ PHE 52 HZ PHE 52 -2.884 0.828 -3.905 341 H THR 53 H THR 53 -6.736 2.885 -10.040 342 HA THR 53 HA THR 53 -4.277 3.958 -11.233 343 HB THR 53 HB THR 53 -7.041 5.129 -11.522 344 HG1 THR 53 1HG THR 53 -6.807 3.950 -13.664 345 HG21 THR 53 1HG2 THR 53 -5.340 5.420 -13.797 346 HG22 THR 53 2HG2 THR 53 -4.458 5.933 -12.358 347 HG23 THR 53 3HG2 THR 53 -6.010 6.672 -12.752 348 H ILE 54 H ILE 54 -3.154 5.429 -10.152 349 HA ILE 54 HA ILE 54 -4.538 7.018 -8.091 350 HB ILE 54 HB ILE 54 -1.638 6.176 -8.152 351 HG12 ILE 54 1HG1 ILE 54 -3.808 5.365 -6.212 352 HG13 ILE 54 2HG1 ILE 54 -3.336 4.393 -7.601 353 HG21 ILE 54 1HG2 ILE 54 -1.607 7.146 -5.849 354 HG22 ILE 54 2HG2 ILE 54 -1.799 8.331 -7.140 355 HG23 ILE 54 3HG2 ILE 54 -3.195 7.838 -6.182 356 HD11 ILE 54 1HD1 ILE 54 -0.983 5.036 -6.180 357 HD12 ILE 54 2HD1 ILE 54 -2.183 4.478 -5.014 358 HD13 ILE 54 3HD1 ILE 54 -1.748 3.461 -6.387 359 H ASP 55 H ASP 55 -4.387 9.188 -8.161 360 HA ASP 55 HA ASP 55 -2.748 10.349 -10.315 361 HB2 ASP 55 1HB ASP 55 -4.927 10.920 -10.869 362 HB3 ASP 55 2HB ASP 55 -5.425 11.072 -9.186 363 H THR 56 H THR 56 -1.206 11.783 -9.826 364 HA THR 56 HA THR 56 -1.095 12.794 -7.058 365 HB THR 56 HB THR 56 1.387 12.850 -7.322 366 HG1 THR 56 1HG THR 56 1.162 11.059 -9.473 367 HG21 THR 56 1HG2 THR 56 1.357 10.114 -7.614 368 HG22 THR 56 2HG2 THR 56 -0.293 10.472 -7.105 369 HG23 THR 56 3HG2 THR 56 1.069 10.990 -6.111 370 H LYS 57 H LYS 57 -0.794 13.508 -10.447 371 HA LYS 57 HA LYS 57 0.477 15.949 -10.464 372 HB2 LYS 57 1HB LYS 57 -1.003 16.481 -12.445 373 HB3 LYS 57 2HB LYS 57 -0.115 14.966 -12.542 374 HG2 LYS 57 1HG LYS 57 -2.259 13.894 -11.612 375 HG3 LYS 57 2HG LYS 57 -3.038 15.408 -12.078 376 HD2 LYS 57 1HD LYS 57 -2.754 15.021 -14.319 377 HD3 LYS 57 2HD LYS 57 -1.310 14.037 -14.076 378 HE2 LYS 57 1HE LYS 57 -2.608 12.172 -13.361 379 HE3 LYS 57 2HE LYS 57 -4.074 13.148 -13.276 380 HZ1 LYS 57 1HZ LYS 57 -2.991 11.754 -15.488 381 HZ2 LYS 57 2HZ LYS 57 -3.132 13.398 -15.860 382 HZ3 LYS 57 3HZ LYS 57 -4.489 12.528 -15.347 383 H GLY 58 H GLY 58 0.122 17.688 -9.257 384 HA2 GLY 58 1HA GLY 58 -1.371 19.622 -8.981 385 HA3 GLY 58 2HA GLY 58 -2.682 18.474 -8.752 386 H ALA 59 H ALA 59 -0.812 16.759 -7.113 387 HA ALA 59 HA ALA 59 -1.567 17.739 -4.576 388 HB1 ALA 59 1HB ALA 59 -1.111 15.336 -5.216 389 HB2 ALA 59 2HB ALA 59 0.605 15.719 -5.073 390 HB3 ALA 59 3HB ALA 59 -0.451 15.865 -3.668 391 H GLY 60 H GLY 60 1.689 17.419 -6.016 392 HA2 GLY 60 1HA GLY 60 2.804 19.798 -5.646 393 HA3 GLY 60 2HA GLY 60 2.752 19.224 -3.986 394 H THR 61 H THR 61 4.371 17.982 -3.268 395 HA THR 61 HA THR 61 5.890 16.257 -4.966 396 HB THR 61 HB THR 61 7.245 18.767 -3.958 397 HG1 THR 61 1HG THR 61 6.798 17.766 -6.593 398 HG21 THR 61 1HG2 THR 61 8.895 17.168 -3.683 399 HG22 THR 61 2HG2 THR 61 9.171 17.679 -5.348 400 HG23 THR 61 3HG2 THR 61 8.305 16.179 -5.018 401 H GLY 62 H GLY 62 6.284 14.571 -3.699 402 HA2 GLY 62 1HA GLY 62 7.748 14.677 -1.315 403 HA3 GLY 62 2HA GLY 62 6.044 14.622 -0.891 404 H GLY 63 H GLY 63 6.639 12.579 0.146 405 HA2 GLY 63 1HA GLY 63 6.928 10.375 -1.798 406 HA3 GLY 63 2HA GLY 63 7.449 10.299 -0.121 407 H LEU 64 H LEU 64 5.847 8.335 -1.229 408 HA LEU 64 HA LEU 64 3.350 8.747 0.268 409 HB2 LEU 64 1HB LEU 64 2.936 8.924 -2.156 410 HB3 LEU 64 2HB LEU 64 3.604 7.307 -2.369 411 HG LEU 64 HG LEU 64 1.710 6.601 -0.724 412 HD11 LEU 64 1HD1 LEU 64 0.160 8.815 -1.918 413 HD12 LEU 64 2HD1 LEU 64 1.214 9.223 -0.565 414 HD13 LEU 64 3HD1 LEU 64 -0.035 7.994 -0.370 415 HD21 LEU 64 1HD2 LEU 64 1.886 6.887 -3.576 416 HD22 LEU 64 2HD2 LEU 64 0.213 7.072 -3.047 417 HD23 LEU 64 3HD2 LEU 64 1.117 5.617 -2.623 418 H GLY 65 H GLY 65 2.931 7.208 1.723 419 HA2 GLY 65 1HA GLY 65 4.620 4.800 1.683 420 HA3 GLY 65 2HA GLY 65 3.818 5.462 3.100 421 H LEU 66 H LEU 66 3.689 3.126 0.693 422 HA LEU 66 HA LEU 66 0.815 2.668 1.122 423 HB2 LEU 66 1HB LEU 66 1.931 2.893 -1.227 424 HB3 LEU 66 2HB LEU 66 2.430 1.228 -0.937 425 HG LEU 66 HG LEU 66 -0.084 0.790 -0.522 426 HD11 LEU 66 1HD1 LEU 66 -0.083 3.540 -1.647 427 HD12 LEU 66 2HD1 LEU 66 -1.156 2.802 -0.459 428 HD13 LEU 66 3HD1 LEU 66 -1.340 2.419 -2.171 429 HD21 LEU 66 1HD2 LEU 66 -0.188 -0.058 -2.617 430 HD22 LEU 66 2HD2 LEU 66 1.524 0.364 -2.619 431 HD23 LEU 66 3HD2 LEU 66 0.349 1.443 -3.372 432 H THR 67 H THR 67 0.294 1.149 2.534 433 HA THR 67 HA THR 67 1.968 -1.252 2.737 434 HB THR 67 HB THR 67 1.667 -1.234 5.221 435 HG1 THR 67 1HG THR 67 0.173 0.184 5.796 436 HG21 THR 67 1HG2 THR 67 3.635 -0.138 3.764 437 HG22 THR 67 2HG2 THR 67 3.634 -0.137 5.528 438 HG23 THR 67 3HG2 THR 67 3.099 1.292 4.645 439 H VAL 68 H VAL 68 0.842 -3.106 2.857 440 HA VAL 68 HA VAL 68 -2.060 -2.941 2.765 441 HB VAL 68 HB VAL 68 -0.168 -5.254 2.341 442 HG11 VAL 68 1HG1 VAL 68 -1.904 -6.560 2.869 443 HG12 VAL 68 2HG1 VAL 68 -3.042 -5.212 2.839 444 HG13 VAL 68 3HG1 VAL 68 -2.601 -6.029 1.339 445 HG21 VAL 68 1HG2 VAL 68 -1.899 -4.576 0.143 446 HG22 VAL 68 2HG2 VAL 68 -0.970 -3.169 0.659 447 HG23 VAL 68 3HG2 VAL 68 -0.138 -4.654 0.199 448 H GLU 69 H GLU 69 -3.095 -2.894 4.652 449 HA GLU 69 HA GLU 69 -2.024 -4.398 6.924 450 HB2 GLU 69 1HB GLU 69 -4.059 -2.194 6.679 451 HB3 GLU 69 2HB GLU 69 -3.904 -3.140 8.152 452 HG2 GLU 69 1HG GLU 69 -1.531 -2.468 8.289 453 HG3 GLU 69 2HG GLU 69 -1.773 -1.443 6.876 454 H GLY 70 H GLY 70 -2.667 -6.429 5.840 455 HA2 GLY 70 1HA GLY 70 -5.534 -6.992 6.289 456 HA3 GLY 70 2HA GLY 70 -4.616 -7.712 4.975 457 HA PRO 71 HA PRO 71 -4.660 -10.616 8.626 458 HB2 PRO 71 1HB PRO 71 -5.560 -12.766 7.235 459 HB3 PRO 71 2HB PRO 71 -6.642 -11.588 7.988 460 HG2 PRO 71 1HG PRO 71 -5.767 -11.804 5.133 461 HG3 PRO 71 2HG PRO 71 -7.381 -11.469 5.786 462 HD2 PRO 71 1HD PRO 71 -5.762 -9.519 4.834 463 HD3 PRO 71 2HD PRO 71 -6.905 -9.246 6.166 464 H CYS 72 H CYS 72 -3.247 -10.448 5.511 465 HA CYS 72 HA CYS 72 -1.054 -12.163 6.412 466 HB2 CYS 72 1HB CYS 72 -2.807 -13.294 4.784 467 HB3 CYS 72 2HB CYS 72 -1.912 -12.403 3.560 468 HG CYS 72 HG CYS 72 -0.630 -14.689 3.295 469 H GLU 73 H GLU 73 0.810 -12.000 4.725 470 HA GLU 73 HA GLU 73 1.198 -9.142 4.219 471 HB2 GLU 73 1HB GLU 73 2.831 -10.637 5.569 472 HB3 GLU 73 2HB GLU 73 3.342 -11.235 3.997 473 HG2 GLU 73 1HG GLU 73 4.071 -9.076 3.323 474 HG3 GLU 73 2HG GLU 73 3.336 -8.322 4.737 475 H ALA 74 H ALA 74 0.103 -8.881 2.279 476 HA ALA 74 HA ALA 74 0.762 -10.563 0.010 477 HB1 ALA 74 1HB ALA 74 -0.885 -8.082 -0.210 478 HB2 ALA 74 2HB ALA 74 -1.029 -9.608 -1.083 479 HB3 ALA 74 3HB ALA 74 -1.543 -9.503 0.601 480 H LYS 75 H LYS 75 2.037 -10.026 -1.686 481 HA LYS 75 HA LYS 75 4.035 -8.078 -1.364 482 HB2 LYS 75 1HB LYS 75 3.903 -10.230 -2.879 483 HB3 LYS 75 2HB LYS 75 3.309 -9.094 -4.082 484 HG2 LYS 75 1HG LYS 75 5.802 -8.405 -2.624 485 HG3 LYS 75 2HG LYS 75 5.871 -9.669 -3.855 486 HD2 LYS 75 1HD LYS 75 4.570 -7.906 -5.296 487 HD3 LYS 75 2HD LYS 75 5.261 -6.760 -4.144 488 HE2 LYS 75 1HE LYS 75 6.907 -6.779 -5.733 489 HE3 LYS 75 2HE LYS 75 7.479 -8.072 -4.681 490 HZ1 LYS 75 1HZ LYS 75 6.617 -9.699 -6.154 491 HZ2 LYS 75 2HZ LYS 75 7.497 -8.605 -7.098 492 HZ3 LYS 75 3HZ LYS 75 5.806 -8.541 -7.085 493 H ILE 76 H ILE 76 4.431 -6.140 -2.503 494 HA ILE 76 HA ILE 76 2.104 -4.938 -3.836 495 HB ILE 76 HB ILE 76 3.819 -3.462 -1.839 496 HG12 ILE 76 1HG1 ILE 76 0.947 -4.293 -1.449 497 HG13 ILE 76 2HG1 ILE 76 2.290 -5.290 -0.902 498 HG21 ILE 76 1HG2 ILE 76 1.474 -2.083 -2.150 499 HG22 ILE 76 2HG2 ILE 76 2.998 -1.705 -2.952 500 HG23 ILE 76 3HG2 ILE 76 1.784 -2.681 -3.780 501 HD11 ILE 76 1HD1 ILE 76 2.333 -4.129 0.974 502 HD12 ILE 76 2HD1 ILE 76 2.772 -2.691 0.053 503 HD13 ILE 76 3HD1 ILE 76 1.075 -3.051 0.369 504 H GLU 77 H GLU 77 2.742 -4.549 -5.850 505 HA GLU 77 HA GLU 77 5.501 -3.649 -6.317 506 HB2 GLU 77 1HB GLU 77 4.369 -5.723 -7.487 507 HB3 GLU 77 2HB GLU 77 3.680 -4.490 -8.533 508 HG2 GLU 77 1HG GLU 77 6.123 -3.676 -8.773 509 HG3 GLU 77 2HG GLU 77 6.536 -5.282 -8.176 510 H CYS 78 H CYS 78 5.504 -1.477 -6.160 511 HA CYS 78 HA CYS 78 3.347 0.074 -7.356 512 HB2 CYS 78 1HB CYS 78 4.528 2.019 -6.330 513 HB3 CYS 78 2HB CYS 78 4.058 0.787 -5.165 514 HG CYS 78 HG CYS 78 6.436 0.142 -4.332 515 H SER 79 H SER 79 3.702 -0.237 -9.559 516 HA SER 79 HA SER 79 6.281 0.466 -10.696 517 HB2 SER 79 1HB SER 79 4.745 0.073 -12.866 518 HB3 SER 79 2HB SER 79 5.479 -1.255 -11.968 519 HG SER 79 HG SER 79 3.377 -1.800 -12.104 520 H ASP 80 H ASP 80 6.751 2.546 -10.928 521 HA ASP 80 HA ASP 80 4.781 4.598 -11.064 522 HB2 ASP 80 1HB ASP 80 7.292 4.654 -10.252 523 HB3 ASP 80 2HB ASP 80 7.603 5.071 -11.935 524 H ASN 81 H ASN 81 4.480 6.111 -12.813 525 HA ASN 81 HA ASN 81 4.681 4.791 -15.430 526 HB2 ASN 81 1HB ASN 81 2.851 7.000 -14.469 527 HB3 ASN 81 2HB ASN 81 2.885 6.382 -16.118 528 HD21 ASN 81 1HD2 ASN 81 2.176 5.598 -12.783 529 HD22 ASN 81 2HD2 ASN 81 1.139 4.257 -13.119 530 H GLY 82 H GLY 82 4.871 8.062 -14.010 531 HA2 GLY 82 1HA GLY 82 6.871 9.394 -14.400 532 HA3 GLY 82 2HA GLY 82 6.964 8.673 -16.000 533 H ASP 83 H ASP 83 3.817 9.109 -15.766 534 HA ASP 83 HA ASP 83 3.940 11.736 -17.056 535 HB2 ASP 83 1HB ASP 83 1.463 11.047 -17.602 536 HB3 ASP 83 2HB ASP 83 2.801 10.337 -18.501 537 H GLY 84 H GLY 84 2.895 10.199 -14.176 538 HA2 GLY 84 1HA GLY 84 2.513 11.981 -12.399 539 HA3 GLY 84 2HA GLY 84 1.241 12.540 -13.475 540 H THR 85 H THR 85 1.891 9.144 -13.112 541 HA THR 85 HA THR 85 -0.306 8.825 -11.213 542 HB THR 85 HB THR 85 -1.280 6.996 -12.670 543 HG1 THR 85 1HG THR 85 0.686 7.109 -14.107 544 HG21 THR 85 1HG2 THR 85 -2.402 9.140 -12.411 545 HG22 THR 85 2HG2 THR 85 -2.563 8.568 -14.072 546 HG23 THR 85 3HG2 THR 85 -1.402 9.838 -13.684 547 H CYS 86 H CYS 86 -0.588 6.375 -10.737 548 HA CYS 86 HA CYS 86 1.939 4.922 -10.912 549 HB2 CYS 86 1HB CYS 86 0.533 5.501 -8.297 550 HB3 CYS 86 2HB CYS 86 1.912 4.426 -8.493 551 HG CYS 86 HG CYS 86 3.632 6.253 -8.001 552 H SER 87 H SER 87 1.627 2.829 -11.321 553 HA SER 87 HA SER 87 -1.091 1.755 -10.975 554 HB2 SER 87 1HB SER 87 1.074 1.209 -12.985 555 HB3 SER 87 2HB SER 87 -0.179 0.007 -12.680 556 HG SER 87 HG SER 87 -1.653 1.916 -13.034 557 H VAL 88 H VAL 88 -0.503 1.345 -8.710 558 HA VAL 88 HA VAL 88 1.514 -0.608 -8.113 559 HB VAL 88 HB VAL 88 -0.722 0.459 -6.384 560 HG11 VAL 88 1HG1 VAL 88 1.772 -0.772 -5.309 561 HG12 VAL 88 2HG1 VAL 88 0.174 -0.636 -4.572 562 HG13 VAL 88 3HG1 VAL 88 0.460 -1.818 -5.850 563 HG21 VAL 88 1HG2 VAL 88 2.077 1.231 -5.889 564 HG22 VAL 88 2HG2 VAL 88 1.352 1.885 -7.359 565 HG23 VAL 88 3HG2 VAL 88 0.600 2.190 -5.793 566 H SER 89 H SER 89 1.325 -2.758 -7.989 567 HA SER 89 HA SER 89 -1.377 -3.926 -8.113 568 HB2 SER 89 1HB SER 89 -0.309 -5.787 -9.468 569 HB3 SER 89 2HB SER 89 -0.448 -4.233 -10.290 570 HG SER 89 HG SER 89 1.684 -5.541 -10.206 571 H TYR 90 H TYR 90 -1.828 -5.328 -6.549 572 HA TYR 90 HA TYR 90 0.415 -6.473 -5.017 573 HB2 TYR 90 1HB TYR 90 -0.985 -6.428 -3.044 574 HB3 TYR 90 2HB TYR 90 -0.950 -4.819 -3.757 575 HD1 TYR 90 2HD TYR 90 -3.015 -7.800 -3.165 576 HD2 TYR 90 1HD TYR 90 -2.935 -3.832 -4.699 577 HE1 TYR 90 2HE TYR 90 -5.474 -7.778 -3.221 578 HE2 TYR 90 1HE TYR 90 -5.394 -3.799 -4.759 579 HH TYR 90 HH TYR 90 -7.268 -4.863 -4.003 580 H LEU 91 H LEU 91 -0.037 -8.566 -3.984 581 HA LEU 91 HA LEU 91 -2.036 -10.168 -5.425 582 HB2 LEU 91 1HB LEU 91 0.895 -10.560 -5.260 583 HB3 LEU 91 2HB LEU 91 -0.114 -11.999 -5.126 584 HG LEU 91 HG LEU 91 -0.582 -10.147 -7.411 585 HD11 LEU 91 1HD1 LEU 91 1.717 -10.257 -7.685 586 HD12 LEU 91 2HD1 LEU 91 1.142 -11.617 -8.648 587 HD13 LEU 91 3HD1 LEU 91 1.818 -11.897 -7.043 588 HD21 LEU 91 1HD2 LEU 91 -0.449 -13.068 -7.732 589 HD22 LEU 91 2HD2 LEU 91 -1.649 -11.913 -8.311 590 HD23 LEU 91 3HD2 LEU 91 -1.706 -12.483 -6.642 591 HA PRO 92 HA PRO 92 -2.816 -10.989 -1.053 592 HB2 PRO 92 1HB PRO 92 -5.293 -12.018 -1.470 593 HB3 PRO 92 2HB PRO 92 -4.971 -10.280 -1.412 594 HG2 PRO 92 1HG PRO 92 -5.303 -12.067 -3.791 595 HG3 PRO 92 2HG PRO 92 -5.953 -10.441 -3.514 596 HD2 PRO 92 1HD PRO 92 -3.762 -10.894 -5.040 597 HD3 PRO 92 2HD PRO 92 -3.969 -9.414 -4.080 598 H THR 93 H THR 93 -3.669 -13.017 0.063 599 HA THR 93 HA THR 93 -2.678 -15.406 -1.354 600 HB THR 93 HB THR 93 -2.037 -16.320 0.857 601 HG1 THR 93 1HG THR 93 -2.538 -15.275 2.634 602 HG21 THR 93 1HG2 THR 93 0.015 -15.421 0.671 603 HG22 THR 93 2HG2 THR 93 -0.581 -13.779 0.917 604 HG23 THR 93 3HG2 THR 93 -0.666 -14.518 -0.681 605 H LYS 94 H LYS 94 -4.943 -14.236 1.113 606 HA LYS 94 HA LYS 94 -6.664 -16.550 0.504 607 HB2 LYS 94 1HB LYS 94 -7.484 -16.456 2.815 608 HB3 LYS 94 2HB LYS 94 -5.749 -16.740 2.760 609 HG2 LYS 94 1HG LYS 94 -5.435 -14.282 3.154 610 HG3 LYS 94 2HG LYS 94 -7.172 -14.184 3.450 611 HD2 LYS 94 1HD LYS 94 -6.219 -14.416 5.580 612 HD3 LYS 94 2HD LYS 94 -6.804 -16.032 5.177 613 HE2 LYS 94 1HE LYS 94 -4.347 -16.266 4.206 614 HE3 LYS 94 2HE LYS 94 -4.022 -15.010 5.400 615 HZ1 LYS 94 1HZ LYS 94 -4.658 -17.805 5.787 616 HZ2 LYS 94 2HZ LYS 94 -5.470 -16.749 6.829 617 HZ3 LYS 94 3HZ LYS 94 -3.780 -16.747 6.773 618 HA PRO 95 HA PRO 95 -9.794 -13.685 -0.645 619 HB2 PRO 95 1HB PRO 95 -12.007 -15.163 -0.110 620 HB3 PRO 95 2HB PRO 95 -10.944 -15.489 -1.483 621 HG2 PRO 95 1HG PRO 95 -11.049 -16.830 1.191 622 HG3 PRO 95 2HG PRO 95 -10.875 -17.555 -0.418 623 HD2 PRO 95 1HD PRO 95 -8.772 -17.176 1.244 624 HD3 PRO 95 2HD PRO 95 -8.621 -17.088 -0.523 625 H GLY 96 H GLY 96 -9.329 -12.159 1.071 626 HA2 GLY 96 1HA GLY 96 -11.468 -12.144 3.093 627 HA3 GLY 96 2HA GLY 96 -9.804 -11.881 3.594 628 H GLU 97 H GLU 97 -9.207 -9.835 3.794 629 HA GLU 97 HA GLU 97 -10.164 -7.834 1.920 630 HB2 GLU 97 1HB GLU 97 -10.921 -6.311 3.712 631 HB3 GLU 97 2HB GLU 97 -11.901 -7.767 3.610 632 HG2 GLU 97 1HG GLU 97 -9.634 -7.488 5.556 633 HG3 GLU 97 2HG GLU 97 -11.276 -6.962 5.926 634 H TYR 98 H TYR 98 -8.659 -6.320 1.520 635 HA TYR 98 HA TYR 98 -6.348 -6.177 3.343 636 HB2 TYR 98 1HB TYR 98 -6.342 -5.952 0.326 637 HB3 TYR 98 2HB TYR 98 -4.936 -5.749 1.365 638 HD1 TYR 98 1HD TYR 98 -7.474 -8.206 0.242 639 HD2 TYR 98 2HD TYR 98 -3.694 -7.614 2.101 640 HE1 TYR 98 1HE TYR 98 -7.040 -10.624 0.115 641 HE2 TYR 98 2HE TYR 98 -3.249 -10.030 1.979 642 HH TYR 98 HH TYR 98 -5.184 -12.248 1.774 643 H PHE 99 H PHE 99 -6.184 -4.266 4.287 644 HA PHE 99 HA PHE 99 -7.497 -1.945 3.117 645 HB2 PHE 99 1HB PHE 99 -6.232 -2.457 5.808 646 HB3 PHE 99 2HB PHE 99 -6.809 -0.867 5.317 647 HD1 PHE 99 2HD PHE 99 -8.111 -4.367 5.181 648 HD2 PHE 99 1HD PHE 99 -8.835 -0.300 6.206 649 HE1 PHE 99 2HE PHE 99 -10.376 -4.964 5.934 650 HE2 PHE 99 1HE PHE 99 -11.101 -0.890 6.961 651 HZ PHE 99 HZ PHE 99 -11.875 -3.225 6.824 652 H VAL 100 H VAL 100 -6.338 -0.925 1.608 653 HA VAL 100 HA VAL 100 -3.458 -0.824 1.700 654 HB VAL 100 HB VAL 100 -5.338 0.615 -0.176 655 HG11 VAL 100 1HG1 VAL 100 -3.184 1.634 -0.233 656 HG12 VAL 100 2HG1 VAL 100 -2.378 0.065 -0.277 657 HG13 VAL 100 3HG1 VAL 100 -3.322 0.613 -1.663 658 HG21 VAL 100 1HG2 VAL 100 -5.458 -1.219 -1.500 659 HG22 VAL 100 2HG2 VAL 100 -3.852 -1.790 -1.046 660 HG23 VAL 100 3HG2 VAL 100 -5.220 -2.051 0.036 661 H ASN 101 H ASN 101 -2.532 0.487 3.143 662 HA ASN 101 HA ASN 101 -3.775 2.952 3.976 663 HB2 ASN 101 1HB ASN 101 -1.097 1.725 4.667 664 HB3 ASN 101 2HB ASN 101 -1.743 3.188 5.403 665 HD21 ASN 101 1HD2 ASN 101 -2.501 -0.217 4.836 666 HD22 ASN 101 2HD2 ASN 101 -3.359 -0.454 6.318 667 H ILE 102 H ILE 102 -3.723 4.630 2.626 668 HA ILE 102 HA ILE 102 -1.250 5.150 1.118 669 HB ILE 102 HB ILE 102 -4.034 6.190 0.579 670 HG12 ILE 102 1HG1 ILE 102 -2.450 4.213 -1.062 671 HG13 ILE 102 2HG1 ILE 102 -3.597 3.713 0.177 672 HG21 ILE 102 1HG2 ILE 102 -2.020 7.619 -0.074 673 HG22 ILE 102 2HG2 ILE 102 -1.667 6.361 -1.257 674 HG23 ILE 102 3HG2 ILE 102 -3.192 7.243 -1.337 675 HD11 ILE 102 1HD1 ILE 102 -5.056 3.682 -1.511 676 HD12 ILE 102 2HD1 ILE 102 -5.102 5.431 -1.287 677 HD13 ILE 102 3HD1 ILE 102 -4.060 4.728 -2.523 678 H LEU 103 H LEU 103 0.008 6.562 2.145 679 HA LEU 103 HA LEU 103 -1.225 9.023 3.174 680 HB2 LEU 103 1HB LEU 103 0.791 8.854 4.874 681 HB3 LEU 103 2HB LEU 103 -0.776 8.117 5.203 682 HG LEU 103 HG LEU 103 0.410 6.030 4.045 683 HD11 LEU 103 1HD1 LEU 103 2.754 5.907 4.796 684 HD12 LEU 103 2HD1 LEU 103 2.672 7.604 5.266 685 HD13 LEU 103 3HD1 LEU 103 2.496 7.149 3.572 686 HD21 LEU 103 1HD2 LEU 103 1.091 6.663 6.895 687 HD22 LEU 103 2HD2 LEU 103 0.639 5.117 6.176 688 HD23 LEU 103 3HD2 LEU 103 -0.576 6.378 6.395 689 H PHE 104 H PHE 104 -0.264 10.852 2.527 690 HA PHE 104 HA PHE 104 2.227 10.604 0.993 691 HB2 PHE 104 1HB PHE 104 0.048 11.613 0.015 692 HB3 PHE 104 2HB PHE 104 0.449 13.027 0.984 693 HD1 PHE 104 1HD PHE 104 2.473 10.694 -1.110 694 HD2 PHE 104 2HD PHE 104 1.269 14.704 -0.345 695 HE1 PHE 104 1HE PHE 104 3.976 11.482 -2.892 696 HE2 PHE 104 2HE PHE 104 2.768 15.498 -2.126 697 HZ PHE 104 HZ PHE 104 4.124 13.886 -3.403 698 H GLU 105 H GLU 105 4.010 11.112 2.067 699 HA GLU 105 HA GLU 105 5.485 12.153 3.451 700 HB2 GLU 105 1HB GLU 105 3.544 14.409 2.966 701 HB3 GLU 105 2HB GLU 105 5.006 14.611 3.922 702 HG2 GLU 105 1HG GLU 105 6.112 13.548 1.761 703 HG3 GLU 105 2HG GLU 105 4.680 14.241 1.002 704 H GLU 106 H GLU 106 3.604 10.506 4.681 705 HA GLU 106 HA GLU 106 3.015 9.917 6.807 706 HB2 GLU 106 1HB GLU 106 3.928 12.616 7.779 707 HB3 GLU 106 2HB GLU 106 3.838 11.107 8.677 708 HG2 GLU 106 1HG GLU 106 5.606 10.263 7.006 709 HG3 GLU 106 2HG GLU 106 5.854 11.970 6.646 710 H VAL 107 H VAL 107 1.291 11.365 4.935 711 HA VAL 107 HA VAL 107 -0.672 12.370 6.885 712 HB VAL 107 HB VAL 107 -0.436 13.514 4.110 713 HG11 VAL 107 1HG1 VAL 107 -2.198 13.870 6.388 714 HG12 VAL 107 2HG1 VAL 107 -1.495 15.393 5.840 715 HG13 VAL 107 3HG1 VAL 107 -2.400 14.381 4.712 716 HG21 VAL 107 1HG2 VAL 107 1.638 13.820 5.629 717 HG22 VAL 107 2HG2 VAL 107 0.949 15.232 4.828 718 HG23 VAL 107 3HG2 VAL 107 0.608 14.930 6.532 719 H HIS 108 H HIS 108 -2.248 10.908 6.923 720 HA HIS 108 HA HIS 108 -2.808 9.060 4.885 721 HB2 HIS 108 1HB HIS 108 -4.136 9.916 7.403 722 HB3 HIS 108 2HB HIS 108 -5.123 9.042 6.234 723 HD1 HIS 108 1HD HIS 108 -5.007 6.573 6.381 724 HD2 HIS 108 2HD HIS 108 -1.689 8.387 8.101 725 HE1 HIS 108 1HE HIS 108 -3.672 4.702 7.401 726 HE2 HIS 108 2HE HIS 108 -1.713 5.833 8.510 727 H ILE 109 H ILE 109 -3.729 9.369 2.977 728 HA ILE 109 HA ILE 109 -4.932 11.817 2.219 729 HB ILE 109 HB ILE 109 -5.418 10.768 0.100 730 HG12 ILE 109 1HG1 ILE 109 -4.405 8.118 1.040 731 HG13 ILE 109 2HG1 ILE 109 -6.076 8.551 1.385 732 HG21 ILE 109 1HG2 ILE 109 -2.815 10.608 1.376 733 HG22 ILE 109 2HG2 ILE 109 -2.985 9.468 0.042 734 HG23 ILE 109 3HG2 ILE 109 -3.254 11.190 -0.230 735 HD11 ILE 109 1HD1 ILE 109 -5.754 7.218 -0.686 736 HD12 ILE 109 2HD1 ILE 109 -6.568 8.763 -0.938 737 HD13 ILE 109 3HD1 ILE 109 -4.867 8.582 -1.367 738 HA PRO 110 HA PRO 110 -9.141 11.284 3.358 739 HB2 PRO 110 1HB PRO 110 -10.377 12.661 1.372 740 HB3 PRO 110 2HB PRO 110 -9.469 13.450 2.666 741 HG2 PRO 110 1HG PRO 110 -8.618 12.822 -0.135 742 HG3 PRO 110 2HG PRO 110 -8.352 14.299 0.811 743 HD2 PRO 110 1HD PRO 110 -6.439 12.410 0.489 744 HD3 PRO 110 2HD PRO 110 -6.574 13.390 1.963 745 H GLY 111 H GLY 111 -9.040 8.941 2.899 746 HA2 GLY 111 1HA GLY 111 -11.139 7.886 1.609 747 HA3 GLY 111 2HA GLY 111 -9.986 8.069 0.295 748 H SER 112 H SER 112 -7.903 7.590 2.589 749 HA SER 112 HA SER 112 -7.957 4.669 2.286 750 HB2 SER 112 1HB SER 112 -5.657 4.676 2.257 751 HB3 SER 112 2HB SER 112 -5.956 6.288 1.609 752 HG SER 112 HG SER 112 -5.196 5.550 4.228 753 HA PRO 113 HA PRO 113 -6.374 3.126 3.227 754 HB2 PRO 113 1HB PRO 113 -7.292 0.822 4.330 755 HB3 PRO 113 2HB PRO 113 -5.882 1.688 4.950 756 HG2 PRO 113 1HG PRO 113 -8.705 1.707 5.947 757 HG3 PRO 113 2HG PRO 113 -7.193 1.623 6.870 758 HD2 PRO 113 1HD PRO 113 -8.596 3.920 6.578 759 HD3 PRO 113 2HD PRO 113 -6.826 3.893 6.717 760 H PHE 114 H PHE 114 -7.275 1.286 1.883 761 HA PHE 114 HA PHE 114 -10.098 1.826 1.232 762 HB2 PHE 114 1HB PHE 114 -7.735 1.247 -0.540 763 HB3 PHE 114 2HB PHE 114 -9.383 0.979 -1.099 764 HD1 PHE 114 1HD PHE 114 -7.091 3.567 0.232 765 HD2 PHE 114 2HD PHE 114 -10.675 2.746 -1.912 766 HE1 PHE 114 1HE PHE 114 -7.261 5.942 -0.386 767 HE2 PHE 114 2HE PHE 114 -10.850 5.120 -2.535 768 HZ PHE 114 HZ PHE 114 -9.141 6.721 -1.773 769 H LYS 115 H LYS 115 -11.187 0.205 2.190 770 HA LYS 115 HA LYS 115 -10.248 -2.412 2.578 771 HB2 LYS 115 1HB LYS 115 -12.213 -1.213 3.716 772 HB3 LYS 115 2HB LYS 115 -13.161 -1.693 2.315 773 HG2 LYS 115 1HG LYS 115 -12.389 -4.072 2.830 774 HG3 LYS 115 2HG LYS 115 -11.883 -3.432 4.395 775 HD2 LYS 115 1HD LYS 115 -14.670 -3.164 3.273 776 HD3 LYS 115 2HD LYS 115 -14.168 -4.437 4.388 777 HE2 LYS 115 1HE LYS 115 -13.974 -2.995 6.159 778 HE3 LYS 115 2HE LYS 115 -13.626 -1.607 5.131 779 HZ1 LYS 115 1HZ LYS 115 -16.073 -2.350 6.245 780 HZ2 LYS 115 2HZ LYS 115 -16.218 -2.522 4.568 781 HZ3 LYS 115 3HZ LYS 115 -15.748 -1.037 5.228 782 H ALA 116 H ALA 116 -9.845 -3.924 1.118 783 HA ALA 116 HA ALA 116 -11.451 -3.958 -1.355 784 HB1 ALA 116 1HB ALA 116 -8.586 -4.019 -0.937 785 HB2 ALA 116 2HB ALA 116 -9.143 -5.393 -1.894 786 HB3 ALA 116 3HB ALA 116 -9.506 -3.748 -2.417 787 H ASP 117 H ASP 117 -12.969 -5.476 -1.011 788 HA ASP 117 HA ASP 117 -12.465 -7.863 0.495 789 HB2 ASP 117 1HB ASP 117 -14.792 -6.736 -1.006 790 HB3 ASP 117 2HB ASP 117 -14.796 -8.450 -0.603 791 H ILE 118 H ILE 118 -11.311 -9.496 -0.274 792 HA ILE 118 HA ILE 118 -11.144 -9.948 -3.148 793 HB ILE 118 HB ILE 118 -9.678 -11.298 -0.878 794 HG12 ILE 118 1HG1 ILE 118 -9.062 -8.947 -1.113 795 HG13 ILE 118 2HG1 ILE 118 -7.746 -9.977 -1.665 796 HG21 ILE 118 1HG2 ILE 118 -9.335 -11.513 -3.864 797 HG22 ILE 118 2HG2 ILE 118 -8.192 -12.140 -2.678 798 HG23 ILE 118 3HG2 ILE 118 -9.829 -12.791 -2.754 799 HD11 ILE 118 1HD1 ILE 118 -9.633 -8.320 -3.295 800 HD12 ILE 118 2HD1 ILE 118 -7.871 -8.260 -3.237 801 HD13 ILE 118 3HD1 ILE 118 -8.683 -9.624 -4.006 802 H GLU 119 H GLU 119 -11.784 -11.813 -4.181 803 HA GLU 119 HA GLU 119 -13.301 -13.759 -2.577 804 HB2 GLU 119 1HB GLU 119 -14.099 -12.628 -5.265 805 HB3 GLU 119 2HB GLU 119 -14.937 -13.923 -4.422 806 HG2 GLU 119 1HG GLU 119 -15.275 -12.291 -2.523 807 HG3 GLU 119 2HG GLU 119 -14.714 -11.037 -3.628 808 H MET 120 H MET 120 -13.485 -15.884 -3.523 809 HA MET 120 HA MET 120 -11.039 -16.755 -4.697 810 HB2 MET 120 1HB MET 120 -13.578 -18.067 -3.834 811 HB3 MET 120 2HB MET 120 -12.493 -18.957 -4.894 812 HG2 MET 120 1HG MET 120 -11.506 -17.691 -2.368 813 HG3 MET 120 2HG MET 120 -12.271 -19.279 -2.365 814 HE1 MET 120 1HE MET 120 -8.973 -20.498 -1.725 815 HE2 MET 120 2HE MET 120 -8.535 -18.791 -1.764 816 HE3 MET 120 3HE MET 120 -10.071 -19.292 -1.055 817 HA PRO 121 HA PRO 121 -12.196 -16.102 -8.933 818 HB2 PRO 121 1HB PRO 121 -10.038 -17.329 -10.032 819 HB3 PRO 121 2HB PRO 121 -9.963 -15.716 -9.314 820 HG2 PRO 121 1HG PRO 121 -9.171 -18.351 -8.136 821 HG3 PRO 121 2HG PRO 121 -8.328 -16.793 -8.060 822 HD2 PRO 121 1HD PRO 121 -9.829 -17.739 -6.014 823 HD3 PRO 121 2HD PRO 121 -9.674 -16.005 -6.363 824 H PHE 122 H PHE 122 -13.209 -17.263 -10.513 825 HA PHE 122 HA PHE 122 -14.226 -19.805 -9.918 826 HB2 PHE 122 1HB PHE 122 -14.165 -18.119 -12.400 827 HB3 PHE 122 2HB PHE 122 -14.789 -19.764 -12.468 828 HD1 PHE 122 2HD PHE 122 -15.126 -16.827 -10.183 829 HD2 PHE 122 1HD PHE 122 -17.065 -19.919 -12.373 830 HE1 PHE 122 2HE PHE 122 -17.308 -16.027 -9.374 831 HE2 PHE 122 1HE PHE 122 -19.250 -19.124 -11.569 832 HZ PHE 122 HZ PHE 122 -19.374 -17.176 -10.066 833 H ASP 123 H ASP 123 -13.746 -21.852 -10.657 834 HA ASP 123 HA ASP 123 -11.441 -22.238 -12.393 835 HB2 ASP 123 1HB ASP 123 -10.446 -22.140 -10.158 836 HB3 ASP 123 2HB ASP 123 -11.564 -23.378 -9.593 837 HA PRO 124 HA PRO 124 -14.055 -25.484 -13.843 838 HB2 PRO 124 1HB PRO 124 -12.221 -26.799 -15.352 839 HB3 PRO 124 2HB PRO 124 -12.946 -25.264 -15.843 840 HG2 PRO 124 1HG PRO 124 -10.284 -25.781 -14.575 841 HG3 PRO 124 2HG PRO 124 -10.694 -24.688 -15.910 842 HD2 PRO 124 1HD PRO 124 -10.340 -23.818 -13.370 843 HD3 PRO 124 2HD PRO 124 -11.481 -23.050 -14.493 844 H SER 125 H SER 125 -14.697 -27.123 -12.604 845 HA SER 125 HA SER 125 -12.768 -28.646 -11.054 846 HB2 SER 125 1HB SER 125 -15.791 -28.799 -11.131 847 HB3 SER 125 2HB SER 125 -14.753 -29.660 -9.995 848 HG SER 125 HG SER 125 -14.508 -26.878 -10.209 849 H SER 126 H SER 126 -15.448 -29.421 -13.278 850 HA SER 126 HA SER 126 -14.641 -32.136 -13.588 851 HB2 SER 126 1HB SER 126 -16.525 -30.439 -15.243 852 HB3 SER 126 2HB SER 126 -16.339 -32.186 -15.402 853 HG SER 126 HG SER 126 -17.666 -30.717 -13.489 854 H GLY 127 H GLY 127 -12.561 -32.316 -14.323 855 HA2 GLY 127 1HA GLY 127 -11.598 -30.784 -16.559 856 HA3 GLY 127 2HA GLY 127 -10.749 -32.090 -15.744 857 HA PRO 128 HA PRO 128 -12.324 -33.416 -19.989 858 HB2 PRO 128 1HB PRO 128 -9.890 -33.817 -21.123 859 HB3 PRO 128 2HB PRO 128 -10.735 -32.265 -21.185 860 HG2 PRO 128 1HG PRO 128 -8.532 -33.151 -19.362 861 HG3 PRO 128 2HG PRO 128 -8.738 -31.600 -20.197 862 HD2 PRO 128 1HD PRO 128 -9.353 -31.940 -17.582 863 HD3 PRO 128 2HD PRO 128 -10.237 -30.814 -18.632 864 H SER 129 H SER 129 -9.509 -34.555 -18.137 865 HA SER 129 HA SER 129 -8.652 -36.695 -17.922 866 HB2 SER 129 1HB SER 129 -11.524 -37.214 -17.128 867 HB3 SER 129 2HB SER 129 -10.086 -38.044 -16.533 868 HG SER 129 HG SER 129 -11.213 -35.752 -15.666 869 H SER 130 H SER 130 -9.262 -36.303 -20.597 870 HA SER 130 HA SER 130 -9.823 -39.034 -21.406 871 HB2 SER 130 1HB SER 130 -11.470 -38.320 -23.130 872 HB3 SER 130 2HB SER 130 -12.050 -38.062 -21.485 873 HG SER 130 HG SER 130 -11.569 -36.252 -23.463 874 H GLY 131 H GLY 131 -8.813 -39.617 -23.297 875 HA2 GLY 131 1HA GLY 131 -7.727 -37.649 -25.099 876 HA3 GLY 131 2HA GLY 131 -6.505 -38.418 -24.097 Start of MODEL 17 1 H1 GLY 1 H GLY 1 52.067 -2.566 -33.975 2 HA2 GLY 1 1HA GLY 1 51.689 -2.754 -31.242 3 HA3 GLY 1 2HA GLY 1 52.755 -1.377 -31.480 4 H SER 2 H SER 2 50.365 -0.931 -30.314 5 HA SER 2 HA SER 2 49.103 0.835 -32.219 6 HB2 SER 2 1HB SER 2 47.786 -1.086 -32.724 7 HB3 SER 2 2HB SER 2 47.626 -1.511 -31.020 8 HG SER 2 HG SER 2 46.568 0.836 -32.218 9 H SER 3 H SER 3 48.915 2.686 -31.167 10 HA SER 3 HA SER 3 47.531 2.947 -28.712 11 HB2 SER 3 1HB SER 3 49.616 2.046 -27.776 12 HB3 SER 3 2HB SER 3 50.534 3.322 -28.576 13 HG SER 3 HG SER 3 48.457 3.829 -26.716 14 H GLY 4 H GLY 4 46.979 5.065 -28.286 15 HA2 GLY 4 1HA GLY 4 48.290 7.357 -29.176 16 HA3 GLY 4 2HA GLY 4 47.162 6.892 -30.441 17 H SER 5 H SER 5 45.740 8.566 -30.254 18 HA SER 5 HA SER 5 44.112 8.578 -27.816 19 HB2 SER 5 1HB SER 5 45.288 11.026 -29.148 20 HB3 SER 5 2HB SER 5 44.001 11.085 -27.944 21 HG SER 5 HG SER 5 45.571 11.077 -26.555 22 H SER 6 H SER 6 42.022 8.406 -28.270 23 HA SER 6 HA SER 6 40.991 9.510 -30.779 24 HB2 SER 6 1HB SER 6 41.370 7.218 -31.367 25 HB3 SER 6 2HB SER 6 40.656 6.650 -29.858 26 HG SER 6 HG SER 6 39.199 8.149 -31.765 27 H GLY 7 H GLY 7 38.927 10.290 -30.665 28 HA2 GLY 7 1HA GLY 7 36.808 9.700 -29.145 29 HA3 GLY 7 2HA GLY 7 37.821 10.553 -27.989 30 H ASP 8 H ASP 8 35.638 10.841 -30.607 31 HA ASP 8 HA ASP 8 35.471 13.696 -30.198 32 HB2 ASP 8 1HB ASP 8 37.275 13.203 -31.997 33 HB3 ASP 8 2HB ASP 8 35.909 12.796 -33.032 34 H VAL 9 H VAL 9 33.367 14.012 -29.964 35 HA VAL 9 HA VAL 9 31.479 12.303 -31.412 36 HB VAL 9 HB VAL 9 31.183 12.485 -28.979 37 HG11 VAL 9 1HG1 VAL 9 31.970 15.011 -29.138 38 HG12 VAL 9 2HG1 VAL 9 30.228 15.287 -29.205 39 HG13 VAL 9 3HG1 VAL 9 30.936 14.437 -27.830 40 HG21 VAL 9 1HG2 VAL 9 29.018 12.155 -29.348 41 HG22 VAL 9 2HG2 VAL 9 28.767 13.878 -29.630 42 HG23 VAL 9 3HG2 VAL 9 29.220 12.823 -30.968 43 H THR 10 H THR 10 30.245 13.034 -33.025 44 HA THR 10 HA THR 10 30.678 15.657 -34.078 45 HB THR 10 HB THR 10 28.542 13.714 -34.957 46 HG1 THR 10 1HG THR 10 31.240 13.863 -35.867 47 HG21 THR 10 1HG2 THR 10 28.641 14.830 -37.049 48 HG22 THR 10 2HG2 THR 10 30.100 15.709 -36.592 49 HG23 THR 10 3HG2 THR 10 28.561 16.095 -35.823 50 H TYR 11 H TYR 11 29.426 17.441 -33.960 51 HA TYR 11 HA TYR 11 26.884 17.223 -32.485 52 HB2 TYR 11 1HB TYR 11 28.735 18.277 -31.160 53 HB3 TYR 11 2HB TYR 11 28.799 19.560 -32.363 54 HD1 TYR 11 2HD TYR 11 26.745 21.000 -32.701 55 HD2 TYR 11 1HD TYR 11 27.161 18.335 -29.410 56 HE1 TYR 11 2HE TYR 11 24.986 22.224 -31.495 57 HE2 TYR 11 1HE TYR 11 25.401 19.551 -28.196 58 HH TYR 11 HH TYR 11 23.857 22.428 -29.593 59 H ASP 12 H ASP 12 25.208 17.756 -33.699 60 HA ASP 12 HA ASP 12 25.020 20.156 -35.159 61 HB2 ASP 12 1HB ASP 12 24.746 19.012 -37.447 62 HB3 ASP 12 2HB ASP 12 26.385 19.274 -36.857 63 H GLY 13 H GLY 13 22.924 20.670 -35.317 64 HA2 GLY 13 1HA GLY 13 20.749 19.498 -36.191 65 HA3 GLY 13 2HA GLY 13 20.968 18.574 -34.713 66 H HIS 14 H HIS 14 19.056 20.790 -35.850 67 HA HIS 14 HA HIS 14 19.126 23.082 -34.367 68 HB2 HIS 14 1HB HIS 14 16.850 23.354 -34.827 69 HB3 HIS 14 2HB HIS 14 17.390 22.278 -36.112 70 HD1 HIS 14 1HD HIS 14 16.841 19.662 -35.686 71 HD2 HIS 14 2HD HIS 14 14.772 22.402 -33.348 72 HE1 HIS 14 1HE HIS 14 14.874 18.402 -34.756 73 HE2 HIS 14 2HE HIS 14 13.590 20.103 -33.414 74 HA PRO 15 HA PRO 15 18.740 21.954 -30.132 75 HB2 PRO 15 1HB PRO 15 17.711 24.267 -29.153 76 HB3 PRO 15 2HB PRO 15 19.398 24.103 -29.654 77 HG2 PRO 15 1HG PRO 15 17.085 25.282 -31.145 78 HG3 PRO 15 2HG PRO 15 18.746 25.884 -30.999 79 HD2 PRO 15 1HD PRO 15 17.867 24.547 -33.184 80 HD3 PRO 15 2HD PRO 15 19.544 24.441 -32.610 81 H VAL 16 H VAL 16 17.198 20.400 -29.878 82 HA VAL 16 HA VAL 16 14.484 20.598 -30.463 83 HB VAL 16 HB VAL 16 14.147 18.676 -28.996 84 HG11 VAL 16 1HG1 VAL 16 16.291 17.355 -29.931 85 HG12 VAL 16 2HG1 VAL 16 14.906 17.792 -30.933 86 HG13 VAL 16 3HG1 VAL 16 16.358 18.794 -30.948 87 HG21 VAL 16 1HG2 VAL 16 15.944 19.725 -27.338 88 HG22 VAL 16 2HG2 VAL 16 15.570 18.001 -27.352 89 HG23 VAL 16 3HG2 VAL 16 17.001 18.600 -28.192 90 HA PRO 17 HA PRO 17 12.784 23.165 -27.323 91 HB2 PRO 17 1HB PRO 17 10.251 22.190 -27.260 92 HB3 PRO 17 2HB PRO 17 10.863 23.189 -28.583 93 HG2 PRO 17 1HG PRO 17 10.572 20.213 -28.433 94 HG3 PRO 17 2HG PRO 17 10.187 21.309 -29.773 95 HD2 PRO 17 1HD PRO 17 12.462 19.842 -29.700 96 HD3 PRO 17 2HD PRO 17 12.382 21.444 -30.461 97 H GLY 18 H GLY 18 13.514 22.850 -25.295 98 HA2 GLY 18 1HA GLY 18 12.180 20.820 -23.673 99 HA3 GLY 18 2HA GLY 18 13.933 20.730 -23.771 100 H SER 19 H SER 19 11.250 22.842 -22.845 101 HA SER 19 HA SER 19 12.711 23.729 -20.525 102 HB2 SER 19 1HB SER 19 13.042 25.956 -21.052 103 HB3 SER 19 2HB SER 19 13.324 25.211 -22.626 104 HG SER 19 HG SER 19 11.454 26.997 -21.923 105 HA PRO 20 HA PRO 20 8.635 23.961 -18.902 106 HB2 PRO 20 1HB PRO 20 9.036 25.688 -16.846 107 HB3 PRO 20 2HB PRO 20 9.614 24.018 -16.825 108 HG2 PRO 20 1HG PRO 20 11.111 26.533 -17.454 109 HG3 PRO 20 2HG PRO 20 11.617 25.145 -16.472 110 HD2 PRO 20 1HD PRO 20 12.434 25.496 -19.030 111 HD3 PRO 20 2HD PRO 20 12.189 23.888 -18.318 112 H TYR 21 H TYR 21 10.304 27.059 -19.385 113 HA TYR 21 HA TYR 21 9.464 29.174 -19.746 114 HB2 TYR 21 1HB TYR 21 9.393 27.755 -21.954 115 HB3 TYR 21 2HB TYR 21 7.649 27.902 -21.761 116 HD1 TYR 21 2HD TYR 21 10.434 30.322 -21.169 117 HD2 TYR 21 1HD TYR 21 6.871 29.426 -23.316 118 HE1 TYR 21 2HE TYR 21 10.510 32.548 -22.214 119 HE2 TYR 21 1HE TYR 21 6.939 31.648 -24.368 120 HH TYR 21 HH TYR 21 7.877 33.763 -24.146 121 H THR 22 H THR 22 7.981 27.613 -17.727 122 HA THR 22 HA THR 22 5.614 29.298 -17.653 123 HB THR 22 HB THR 22 5.323 26.309 -17.323 124 HG1 THR 22 1HG THR 22 5.689 26.876 -19.525 125 HG21 THR 22 1HG2 THR 22 3.729 28.451 -16.469 126 HG22 THR 22 2HG2 THR 22 3.289 26.744 -16.519 127 HG23 THR 22 3HG2 THR 22 2.919 27.791 -17.889 128 H VAL 23 H VAL 23 4.876 29.714 -15.589 129 HA VAL 23 HA VAL 23 6.740 29.210 -13.465 130 HB VAL 23 HB VAL 23 4.846 30.376 -12.097 131 HG11 VAL 23 1HG1 VAL 23 5.676 32.552 -12.784 132 HG12 VAL 23 2HG1 VAL 23 6.999 31.385 -12.725 133 HG13 VAL 23 3HG1 VAL 23 6.310 31.860 -14.277 134 HG21 VAL 23 1HG2 VAL 23 3.200 29.987 -13.996 135 HG22 VAL 23 2HG2 VAL 23 3.245 31.610 -13.306 136 HG23 VAL 23 3HG2 VAL 23 4.039 31.285 -14.847 137 H GLU 24 H GLU 24 4.665 27.174 -14.781 138 HA GLU 24 HA GLU 24 3.586 26.108 -12.270 139 HB2 GLU 24 1HB GLU 24 2.981 25.222 -15.095 140 HB3 GLU 24 2HB GLU 24 2.124 24.749 -13.635 141 HG2 GLU 24 1HG GLU 24 2.282 27.635 -14.338 142 HG3 GLU 24 2HG GLU 24 1.171 26.594 -15.227 143 H ALA 25 H ALA 25 6.223 25.784 -12.288 144 HA ALA 25 HA ALA 25 6.591 22.941 -12.975 145 HB1 ALA 25 1HB ALA 25 8.005 25.045 -14.061 146 HB2 ALA 25 2HB ALA 25 9.070 24.445 -12.790 147 HB3 ALA 25 3HB ALA 25 8.500 23.352 -14.051 148 H SER 26 H SER 26 5.626 24.135 -10.491 149 HA SER 26 HA SER 26 7.139 22.636 -8.651 150 HB2 SER 26 1HB SER 26 8.815 24.354 -8.795 151 HB3 SER 26 2HB SER 26 7.605 25.624 -8.613 152 HG SER 26 HG SER 26 7.674 23.749 -6.584 153 H LEU 27 H LEU 27 5.438 21.895 -7.562 154 HA LEU 27 HA LEU 27 3.607 23.852 -6.356 155 HB2 LEU 27 1HB LEU 27 2.845 21.262 -7.694 156 HB3 LEU 27 2HB LEU 27 1.753 22.235 -6.712 157 HG LEU 27 HG LEU 27 3.067 23.515 -9.058 158 HD11 LEU 27 1HD1 LEU 27 2.130 22.218 -10.590 159 HD12 LEU 27 2HD1 LEU 27 0.549 22.412 -9.835 160 HD13 LEU 27 3HD1 LEU 27 1.622 21.113 -9.313 161 HD21 LEU 27 1HD2 LEU 27 0.203 23.828 -8.432 162 HD22 LEU 27 2HD2 LEU 27 1.415 25.038 -8.855 163 HD23 LEU 27 3HD2 LEU 27 1.331 24.411 -7.208 164 HA PRO 28 HA PRO 28 4.494 21.715 -2.610 165 HB2 PRO 28 1HB PRO 28 2.323 22.468 -1.164 166 HB3 PRO 28 2HB PRO 28 3.659 23.565 -1.534 167 HG2 PRO 28 1HG PRO 28 0.995 23.304 -2.874 168 HG3 PRO 28 2HG PRO 28 1.883 24.772 -2.427 169 HD2 PRO 28 1HD PRO 28 1.856 23.799 -4.953 170 HD3 PRO 28 2HD PRO 28 3.254 24.658 -4.276 171 HA PRO 29 HA PRO 29 2.323 17.876 -2.792 172 HB2 PRO 29 1HB PRO 29 2.981 16.903 -0.345 173 HB3 PRO 29 2HB PRO 29 4.127 16.977 -1.690 174 HG2 PRO 29 1HG PRO 29 3.805 18.842 0.630 175 HG3 PRO 29 2HG PRO 29 5.292 18.205 -0.096 176 HD2 PRO 29 1HD PRO 29 4.363 20.693 -0.624 177 HD3 PRO 29 2HD PRO 29 5.253 19.732 -1.822 178 H ASP 30 H ASP 30 0.242 17.398 -2.493 179 HA ASP 30 HA ASP 30 -1.067 18.180 0.012 180 HB2 ASP 30 1HB ASP 30 -1.461 19.793 -2.012 181 HB3 ASP 30 2HB ASP 30 -2.539 18.520 -2.577 182 HA PRO 31 HA PRO 31 -2.335 13.933 -0.322 183 HB2 PRO 31 1HB PRO 31 -3.866 13.908 1.920 184 HB3 PRO 31 2HB PRO 31 -2.100 13.851 1.963 185 HG2 PRO 31 1HG PRO 31 -3.930 16.185 2.366 186 HG3 PRO 31 2HG PRO 31 -2.476 15.733 3.276 187 HD2 PRO 31 1HD PRO 31 -2.464 17.661 1.376 188 HD3 PRO 31 2HD PRO 31 -1.056 16.628 1.696 189 H SER 32 H SER 32 -4.660 16.527 0.375 190 HA SER 32 HA SER 32 -7.016 15.175 -0.187 191 HB2 SER 32 1HB SER 32 -6.306 18.084 -0.619 192 HB3 SER 32 2HB SER 32 -7.945 17.444 -0.748 193 HG SER 32 HG SER 32 -6.302 17.693 1.520 194 H LYS 33 H LYS 33 -4.572 16.366 -2.334 195 HA LYS 33 HA LYS 33 -6.216 16.228 -4.699 196 HB2 LYS 33 1HB LYS 33 -3.222 16.519 -4.381 197 HB3 LYS 33 2HB LYS 33 -4.094 16.664 -5.902 198 HG2 LYS 33 1HG LYS 33 -4.751 18.412 -3.559 199 HG3 LYS 33 2HG LYS 33 -3.438 18.808 -4.670 200 HD2 LYS 33 1HD LYS 33 -4.893 19.071 -6.481 201 HD3 LYS 33 2HD LYS 33 -6.194 18.185 -5.681 202 HE2 LYS 33 1HE LYS 33 -6.759 20.507 -5.659 203 HE3 LYS 33 2HE LYS 33 -6.329 20.038 -4.015 204 HZ1 LYS 33 1HZ LYS 33 -4.485 21.316 -4.034 205 HZ2 LYS 33 2HZ LYS 33 -5.357 22.192 -5.188 206 HZ3 LYS 33 3HZ LYS 33 -4.180 21.082 -5.681 207 H VAL 34 H VAL 34 -4.315 14.055 -2.849 208 HA VAL 34 HA VAL 34 -3.748 12.195 -4.957 209 HB VAL 34 HB VAL 34 -3.696 11.804 -1.961 210 HG11 VAL 34 1HG1 VAL 34 -2.711 9.743 -2.264 211 HG12 VAL 34 2HG1 VAL 34 -3.879 9.767 -3.586 212 HG13 VAL 34 3HG1 VAL 34 -2.179 10.118 -3.903 213 HG21 VAL 34 1HG2 VAL 34 -1.141 11.860 -2.566 214 HG22 VAL 34 2HG2 VAL 34 -1.708 12.802 -3.945 215 HG23 VAL 34 3HG2 VAL 34 -2.039 13.356 -2.304 216 H LYS 35 H LYS 35 -5.541 11.456 -5.981 217 HA LYS 35 HA LYS 35 -7.641 10.222 -4.327 218 HB2 LYS 35 1HB LYS 35 -7.685 11.603 -6.975 219 HB3 LYS 35 2HB LYS 35 -8.870 10.342 -6.664 220 HG2 LYS 35 1HG LYS 35 -10.030 12.178 -5.972 221 HG3 LYS 35 2HG LYS 35 -9.266 11.702 -4.454 222 HD2 LYS 35 1HD LYS 35 -7.599 13.378 -4.667 223 HD3 LYS 35 2HD LYS 35 -8.046 13.705 -6.343 224 HE2 LYS 35 1HE LYS 35 -8.892 15.458 -4.902 225 HE3 LYS 35 2HE LYS 35 -10.233 14.532 -5.574 226 HZ1 LYS 35 1HZ LYS 35 -10.276 15.101 -3.098 227 HZ2 LYS 35 2HZ LYS 35 -9.120 13.879 -2.920 228 HZ3 LYS 35 3HZ LYS 35 -10.648 13.513 -3.548 229 H ALA 36 H ALA 36 -7.965 8.088 -4.442 230 HA ALA 36 HA ALA 36 -6.455 6.585 -6.475 231 HB1 ALA 36 1HB ALA 36 -6.002 6.292 -3.950 232 HB2 ALA 36 2HB ALA 36 -7.503 5.365 -3.951 233 HB3 ALA 36 3HB ALA 36 -6.150 4.854 -4.961 234 H HIS 37 H HIS 37 -7.624 5.729 -8.052 235 HA HIS 37 HA HIS 37 -10.271 4.633 -7.439 236 HB2 HIS 37 1HB HIS 37 -11.019 5.582 -9.711 237 HB3 HIS 37 2HB HIS 37 -10.925 6.696 -8.350 238 HD1 HIS 37 1HD HIS 37 -8.977 5.708 -11.440 239 HD2 HIS 37 2HD HIS 37 -9.272 8.842 -8.728 240 HE1 HIS 37 1HE HIS 37 -7.541 7.547 -12.379 241 HE2 HIS 37 2HE HIS 37 -7.667 9.400 -10.678 242 H GLY 38 H GLY 38 -10.401 2.602 -8.120 243 HA2 GLY 38 1HA GLY 38 -9.839 1.644 -10.646 244 HA3 GLY 38 2HA GLY 38 -8.355 1.431 -9.728 245 HA PRO 39 HA PRO 39 -11.199 -2.246 -9.127 246 HB2 PRO 39 1HB PRO 39 -9.435 -4.112 -10.007 247 HB3 PRO 39 2HB PRO 39 -10.557 -3.270 -11.082 248 HG2 PRO 39 1HG PRO 39 -7.658 -2.726 -10.566 249 HG3 PRO 39 2HG PRO 39 -8.538 -2.739 -12.106 250 HD2 PRO 39 1HD PRO 39 -7.918 -0.449 -10.800 251 HD3 PRO 39 2HD PRO 39 -9.387 -0.620 -11.782 252 H GLY 40 H GLY 40 -7.666 -2.081 -8.653 253 HA2 GLY 40 1HA GLY 40 -7.379 -3.931 -6.629 254 HA3 GLY 40 2HA GLY 40 -6.383 -2.493 -6.792 255 H LEU 41 H LEU 41 -8.983 -0.895 -6.482 256 HA LEU 41 HA LEU 41 -8.792 -0.683 -3.597 257 HB2 LEU 41 1HB LEU 41 -10.474 0.920 -5.515 258 HB3 LEU 41 2HB LEU 41 -10.117 1.321 -3.836 259 HG LEU 41 HG LEU 41 -8.018 1.166 -5.993 260 HD11 LEU 41 1HD1 LEU 41 -8.322 3.340 -6.537 261 HD12 LEU 41 2HD1 LEU 41 -8.906 3.777 -4.932 262 HD13 LEU 41 3HD1 LEU 41 -9.984 2.975 -6.073 263 HD21 LEU 41 1HD2 LEU 41 -6.992 2.788 -4.175 264 HD22 LEU 41 2HD2 LEU 41 -6.834 1.036 -4.048 265 HD23 LEU 41 3HD2 LEU 41 -8.066 1.882 -3.110 266 H GLU 42 H GLU 42 -11.309 -1.328 -6.019 267 HA GLU 42 HA GLU 42 -13.378 -1.749 -4.116 268 HB2 GLU 42 1HB GLU 42 -14.747 -2.215 -5.914 269 HB3 GLU 42 2HB GLU 42 -13.502 -1.240 -6.680 270 HG2 GLU 42 1HG GLU 42 -13.627 -2.947 -8.170 271 HG3 GLU 42 2HG GLU 42 -12.387 -3.585 -7.092 272 H GLY 43 H GLY 43 -10.956 -3.798 -5.581 273 HA2 GLY 43 1HA GLY 43 -10.614 -5.725 -3.831 274 HA3 GLY 43 2HA GLY 43 -12.192 -6.198 -4.444 275 H GLY 44 H GLY 44 -11.004 -8.194 -5.004 276 HA2 GLY 44 1HA GLY 44 -10.379 -8.223 -7.777 277 HA3 GLY 44 2HA GLY 44 -8.915 -8.365 -6.816 278 H LEU 45 H LEU 45 -8.428 -10.454 -7.395 279 HA LEU 45 HA LEU 45 -10.196 -12.499 -6.252 280 HB2 LEU 45 1HB LEU 45 -8.891 -12.601 -8.966 281 HB3 LEU 45 2HB LEU 45 -9.668 -13.974 -8.180 282 HG LEU 45 HG LEU 45 -11.133 -11.432 -8.854 283 HD11 LEU 45 1HD1 LEU 45 -10.146 -12.521 -10.877 284 HD12 LEU 45 2HD1 LEU 45 -11.908 -12.447 -10.864 285 HD13 LEU 45 3HD1 LEU 45 -11.087 -13.961 -10.486 286 HD21 LEU 45 1HD2 LEU 45 -11.921 -13.239 -7.131 287 HD22 LEU 45 2HD2 LEU 45 -12.347 -14.142 -8.585 288 HD23 LEU 45 3HD2 LEU 45 -13.057 -12.554 -8.293 289 H VAL 46 H VAL 46 -9.173 -14.205 -5.281 290 HA VAL 46 HA VAL 46 -6.591 -13.854 -4.289 291 HB VAL 46 HB VAL 46 -8.153 -16.429 -4.539 292 HG11 VAL 46 1HG1 VAL 46 -5.616 -16.536 -4.114 293 HG12 VAL 46 2HG1 VAL 46 -6.005 -15.880 -2.522 294 HG13 VAL 46 3HG1 VAL 46 -6.686 -17.426 -3.030 295 HG21 VAL 46 1HG2 VAL 46 -7.896 -14.625 -2.143 296 HG22 VAL 46 2HG2 VAL 46 -9.234 -14.528 -3.287 297 HG23 VAL 46 3HG2 VAL 46 -8.978 -16.002 -2.353 298 H GLY 47 H GLY 47 -4.592 -14.545 -4.890 299 HA2 GLY 47 1HA GLY 47 -2.977 -15.682 -6.122 300 HA3 GLY 47 2HA GLY 47 -4.259 -16.437 -7.057 301 H LYS 48 H LYS 48 -5.513 -13.842 -7.671 302 HA LYS 48 HA LYS 48 -3.772 -13.143 -9.904 303 HB2 LYS 48 1HB LYS 48 -6.672 -12.879 -9.306 304 HB3 LYS 48 2HB LYS 48 -5.959 -11.665 -10.361 305 HG2 LYS 48 1HG LYS 48 -5.191 -13.405 -11.875 306 HG3 LYS 48 2HG LYS 48 -5.853 -14.643 -10.805 307 HD2 LYS 48 1HD LYS 48 -7.678 -12.493 -11.748 308 HD3 LYS 48 2HD LYS 48 -7.195 -13.735 -12.906 309 HE2 LYS 48 1HE LYS 48 -7.830 -15.337 -10.899 310 HE3 LYS 48 2HE LYS 48 -8.835 -13.964 -10.435 311 HZ1 LYS 48 1HZ LYS 48 -8.995 -14.744 -13.223 312 HZ2 LYS 48 2HZ LYS 48 -10.223 -14.290 -12.152 313 HZ3 LYS 48 3HZ LYS 48 -9.618 -15.869 -12.123 314 HA PRO 49 HA PRO 49 -2.378 -9.348 -8.177 315 HB2 PRO 49 1HB PRO 49 -1.957 -7.925 -10.450 316 HB3 PRO 49 2HB PRO 49 -0.905 -9.249 -9.937 317 HG2 PRO 49 1HG PRO 49 -3.115 -9.258 -11.957 318 HG3 PRO 49 2HG PRO 49 -1.510 -10.006 -12.051 319 HD2 PRO 49 1HD PRO 49 -3.740 -11.415 -11.443 320 HD3 PRO 49 2HD PRO 49 -2.144 -11.823 -10.783 321 H ALA 50 H ALA 50 -2.905 -7.084 -7.966 322 HA ALA 50 HA ALA 50 -5.367 -6.136 -9.176 323 HB1 ALA 50 1HB ALA 50 -6.668 -6.744 -7.476 324 HB2 ALA 50 2HB ALA 50 -5.283 -7.211 -6.488 325 HB3 ALA 50 3HB ALA 50 -5.824 -5.532 -6.510 326 H GLU 51 H GLU 51 -4.936 -4.135 -9.808 327 HA GLU 51 HA GLU 51 -3.306 -2.422 -8.054 328 HB2 GLU 51 1HB GLU 51 -2.566 -1.331 -10.286 329 HB3 GLU 51 2HB GLU 51 -1.806 -2.833 -9.782 330 HG2 GLU 51 1HG GLU 51 -2.227 -3.278 -11.980 331 HG3 GLU 51 2HG GLU 51 -3.683 -3.929 -11.227 332 H PHE 52 H PHE 52 -3.525 -0.033 -8.863 333 HA PHE 52 HA PHE 52 -6.202 0.578 -9.830 334 HB2 PHE 52 1HB PHE 52 -6.376 2.249 -7.830 335 HB3 PHE 52 2HB PHE 52 -6.817 0.561 -7.591 336 HD1 PHE 52 1HD PHE 52 -4.735 -0.966 -6.881 337 HD2 PHE 52 2HD PHE 52 -5.074 3.225 -6.223 338 HE1 PHE 52 1HE PHE 52 -3.116 -1.129 -5.036 339 HE2 PHE 52 2HE PHE 52 -3.455 3.070 -4.377 340 HZ PHE 52 HZ PHE 52 -2.473 0.891 -3.782 341 H THR 53 H THR 53 -6.465 3.089 -9.837 342 HA THR 53 HA THR 53 -3.977 4.184 -10.960 343 HB THR 53 HB THR 53 -6.788 5.189 -11.428 344 HG1 THR 53 1HG THR 53 -5.198 3.578 -13.158 345 HG21 THR 53 1HG2 THR 53 -5.626 6.948 -12.211 346 HG22 THR 53 2HG2 THR 53 -5.258 5.897 -13.579 347 HG23 THR 53 3HG2 THR 53 -4.110 6.050 -12.250 348 H ILE 54 H ILE 54 -2.922 5.517 -9.652 349 HA ILE 54 HA ILE 54 -4.436 7.093 -7.691 350 HB ILE 54 HB ILE 54 -1.465 6.561 -7.800 351 HG12 ILE 54 1HG1 ILE 54 -3.577 5.370 -5.989 352 HG13 ILE 54 2HG1 ILE 54 -2.819 4.535 -7.340 353 HG21 ILE 54 1HG2 ILE 54 -2.005 7.289 -5.253 354 HG22 ILE 54 2HG2 ILE 54 -1.451 8.400 -6.504 355 HG23 ILE 54 3HG2 ILE 54 -3.170 8.280 -6.131 356 HD11 ILE 54 1HD1 ILE 54 -1.223 3.846 -5.982 357 HD12 ILE 54 2HD1 ILE 54 -0.746 5.522 -5.706 358 HD13 ILE 54 3HD1 ILE 54 -1.935 4.758 -4.651 359 H ASP 55 H ASP 55 -4.604 9.235 -7.864 360 HA ASP 55 HA ASP 55 -3.197 10.556 -10.064 361 HB2 ASP 55 1HB ASP 55 -5.649 10.782 -9.968 362 HB3 ASP 55 2HB ASP 55 -5.514 11.526 -8.378 363 H THR 56 H THR 56 -1.244 11.255 -9.437 364 HA THR 56 HA THR 56 -1.005 12.623 -6.845 365 HB THR 56 HB THR 56 1.420 12.305 -7.058 366 HG1 THR 56 1HG THR 56 2.083 10.840 -8.823 367 HG21 THR 56 1HG2 THR 56 -0.523 10.129 -6.936 368 HG22 THR 56 2HG2 THR 56 0.864 10.467 -5.899 369 HG23 THR 56 3HG2 THR 56 1.088 9.595 -7.415 370 H LYS 57 H LYS 57 -0.975 13.114 -10.235 371 HA LYS 57 HA LYS 57 0.679 15.328 -10.527 372 HB2 LYS 57 1HB LYS 57 -0.815 15.923 -12.458 373 HB3 LYS 57 2HB LYS 57 -0.213 14.271 -12.474 374 HG2 LYS 57 1HG LYS 57 -2.409 13.606 -11.406 375 HG3 LYS 57 2HG LYS 57 -2.972 15.234 -11.787 376 HD2 LYS 57 1HD LYS 57 -2.993 14.846 -14.045 377 HD3 LYS 57 2HD LYS 57 -1.712 13.634 -13.957 378 HE2 LYS 57 1HE LYS 57 -3.162 11.945 -13.400 379 HE3 LYS 57 2HE LYS 57 -4.327 13.043 -12.662 380 HZ1 LYS 57 1HZ LYS 57 -5.062 12.055 -14.799 381 HZ2 LYS 57 2HZ LYS 57 -3.821 12.895 -15.582 382 HZ3 LYS 57 3HZ LYS 57 -5.056 13.747 -14.801 383 H GLY 58 H GLY 58 -2.685 15.141 -9.459 384 HA2 GLY 58 1HA GLY 58 -3.205 17.911 -9.411 385 HA3 GLY 58 2HA GLY 58 -4.060 16.694 -8.475 386 H ALA 59 H ALA 59 -1.212 16.004 -7.411 387 HA ALA 59 HA ALA 59 -1.410 17.806 -5.132 388 HB1 ALA 59 1HB ALA 59 0.714 15.809 -5.048 389 HB2 ALA 59 2HB ALA 59 -0.598 16.121 -3.910 390 HB3 ALA 59 3HB ALA 59 -0.885 15.121 -5.334 391 H GLY 60 H GLY 60 1.301 16.519 -7.077 392 HA2 GLY 60 1HA GLY 60 2.559 18.498 -8.175 393 HA3 GLY 60 2HA GLY 60 2.773 19.000 -6.504 394 H THR 61 H THR 61 4.226 17.920 -5.192 395 HA THR 61 HA THR 61 5.697 15.660 -6.310 396 HB THR 61 HB THR 61 7.110 18.166 -5.378 397 HG1 THR 61 1HG THR 61 6.186 18.400 -7.469 398 HG21 THR 61 1HG2 THR 61 9.109 16.951 -6.337 399 HG22 THR 61 2HG2 THR 61 8.100 15.506 -6.391 400 HG23 THR 61 3HG2 THR 61 8.452 16.278 -4.846 401 H GLY 62 H GLY 62 6.372 14.239 -4.791 402 HA2 GLY 62 1HA GLY 62 7.194 14.719 -2.209 403 HA3 GLY 62 2HA GLY 62 5.446 14.572 -2.108 404 H GLY 63 H GLY 63 6.111 12.736 -0.683 405 HA2 GLY 63 1HA GLY 63 6.569 10.320 -2.325 406 HA3 GLY 63 2HA GLY 63 7.242 10.512 -0.712 407 H LEU 64 H LEU 64 5.006 8.855 -2.288 408 HA LEU 64 HA LEU 64 2.944 9.070 -0.209 409 HB2 LEU 64 1HB LEU 64 2.146 9.280 -2.490 410 HB3 LEU 64 2HB LEU 64 2.890 7.739 -2.914 411 HG LEU 64 HG LEU 64 1.310 6.729 -1.151 412 HD11 LEU 64 1HD1 LEU 64 0.219 8.301 0.021 413 HD12 LEU 64 2HD1 LEU 64 -0.864 8.331 -1.371 414 HD13 LEU 64 3HD1 LEU 64 0.425 9.527 -1.230 415 HD21 LEU 64 1HD2 LEU 64 -0.622 6.885 -2.869 416 HD22 LEU 64 2HD2 LEU 64 0.894 6.117 -3.345 417 HD23 LEU 64 3HD2 LEU 64 0.546 7.772 -3.849 418 H GLY 65 H GLY 65 2.474 7.409 1.142 419 HA2 GLY 65 1HA GLY 65 4.192 5.020 0.912 420 HA3 GLY 65 2HA GLY 65 3.597 5.677 2.430 421 H LEU 66 H LEU 66 3.320 3.044 0.779 422 HA LEU 66 HA LEU 66 0.437 2.761 1.297 423 HB2 LEU 66 1HB LEU 66 0.327 2.676 -0.970 424 HB3 LEU 66 2HB LEU 66 1.991 2.120 -1.138 425 HG LEU 66 HG LEU 66 1.100 -0.128 -0.243 426 HD11 LEU 66 1HD1 LEU 66 -1.473 1.166 -1.132 427 HD12 LEU 66 2HD1 LEU 66 -1.068 0.654 0.506 428 HD13 LEU 66 3HD1 LEU 66 -1.259 -0.547 -0.771 429 HD21 LEU 66 1HD2 LEU 66 0.188 0.777 -2.969 430 HD22 LEU 66 2HD2 LEU 66 0.596 -0.863 -2.465 431 HD23 LEU 66 3HD2 LEU 66 1.856 0.368 -2.567 432 H THR 67 H THR 67 0.029 1.248 2.755 433 HA THR 67 HA THR 67 1.829 -1.071 2.945 434 HB THR 67 HB THR 67 1.262 -0.944 5.495 435 HG1 THR 67 1HG THR 67 0.057 0.788 5.830 436 HG21 THR 67 1HG2 THR 67 3.446 -0.520 5.621 437 HG22 THR 67 2HG2 THR 67 3.184 1.157 5.142 438 HG23 THR 67 3HG2 THR 67 3.425 -0.084 3.913 439 H VAL 68 H VAL 68 0.782 -2.945 2.845 440 HA VAL 68 HA VAL 68 -2.106 -2.988 2.870 441 HB VAL 68 HB VAL 68 -0.087 -5.191 2.436 442 HG11 VAL 68 1HG1 VAL 68 -3.059 -5.223 2.607 443 HG12 VAL 68 2HG1 VAL 68 -2.264 -6.276 1.435 444 HG13 VAL 68 3HG1 VAL 68 -1.884 -6.420 3.151 445 HG21 VAL 68 1HG2 VAL 68 -0.245 -4.804 0.210 446 HG22 VAL 68 2HG2 VAL 68 -1.928 -4.284 0.307 447 HG23 VAL 68 3HG2 VAL 68 -0.634 -3.174 0.760 448 H GLU 69 H GLU 69 -3.084 -2.963 4.795 449 HA GLU 69 HA GLU 69 -1.896 -4.330 7.072 450 HB2 GLU 69 1HB GLU 69 -4.045 -2.314 6.681 451 HB3 GLU 69 2HB GLU 69 -4.187 -3.374 8.076 452 HG2 GLU 69 1HG GLU 69 -1.652 -1.886 7.518 453 HG3 GLU 69 2HG GLU 69 -2.998 -1.122 8.360 454 H GLY 70 H GLY 70 -2.680 -6.067 5.032 455 HA2 GLY 70 1HA GLY 70 -5.283 -7.155 5.614 456 HA3 GLY 70 2HA GLY 70 -4.078 -7.846 4.537 457 HA PRO 71 HA PRO 71 -4.409 -10.201 8.638 458 HB2 PRO 71 1HB PRO 71 -5.556 -12.459 7.661 459 HB3 PRO 71 2HB PRO 71 -6.495 -11.091 8.269 460 HG2 PRO 71 1HG PRO 71 -5.827 -11.823 5.445 461 HG3 PRO 71 2HG PRO 71 -7.366 -11.255 6.120 462 HD2 PRO 71 1HD PRO 71 -5.671 -9.621 4.782 463 HD3 PRO 71 2HD PRO 71 -6.701 -9.049 6.110 464 H CYS 72 H CYS 72 -3.293 -10.764 5.416 465 HA CYS 72 HA CYS 72 -1.258 -12.618 6.464 466 HB2 CYS 72 1HB CYS 72 -1.295 -13.340 3.885 467 HB3 CYS 72 2HB CYS 72 -2.322 -14.100 5.095 468 HG CYS 72 HG CYS 72 -3.628 -11.401 3.564 469 H GLU 73 H GLU 73 0.591 -12.764 4.681 470 HA GLU 73 HA GLU 73 1.488 -10.004 4.314 471 HB2 GLU 73 1HB GLU 73 3.043 -11.374 5.516 472 HB3 GLU 73 2HB GLU 73 2.957 -12.640 4.300 473 HG2 GLU 73 1HG GLU 73 4.059 -11.208 2.688 474 HG3 GLU 73 2HG GLU 73 4.087 -9.887 3.854 475 H ALA 74 H ALA 74 0.566 -9.310 2.434 476 HA ALA 74 HA ALA 74 0.861 -10.953 0.030 477 HB1 ALA 74 1HB ALA 74 -1.030 -10.024 -0.699 478 HB2 ALA 74 2HB ALA 74 -1.214 -9.381 0.933 479 HB3 ALA 74 3HB ALA 74 -0.470 -8.394 -0.325 480 H LYS 75 H LYS 75 2.069 -10.357 -1.715 481 HA LYS 75 HA LYS 75 4.210 -8.520 -1.266 482 HB2 LYS 75 1HB LYS 75 4.128 -10.708 -2.705 483 HB3 LYS 75 2HB LYS 75 3.556 -9.630 -3.971 484 HG2 LYS 75 1HG LYS 75 5.560 -8.400 -3.975 485 HG3 LYS 75 2HG LYS 75 6.089 -9.108 -2.447 486 HD2 LYS 75 1HD LYS 75 6.410 -11.250 -3.487 487 HD3 LYS 75 2HD LYS 75 5.696 -10.674 -4.996 488 HE2 LYS 75 1HE LYS 75 7.554 -8.990 -5.114 489 HE3 LYS 75 2HE LYS 75 8.298 -9.813 -3.744 490 HZ1 LYS 75 1HZ LYS 75 8.575 -10.444 -6.414 491 HZ2 LYS 75 2HZ LYS 75 7.604 -11.670 -5.770 492 HZ3 LYS 75 3HZ LYS 75 9.121 -11.348 -5.092 493 H ILE 76 H ILE 76 4.660 -6.586 -2.336 494 HA ILE 76 HA ILE 76 2.465 -5.401 -3.889 495 HB ILE 76 HB ILE 76 3.983 -3.874 -1.778 496 HG12 ILE 76 1HG1 ILE 76 1.111 -4.737 -1.539 497 HG13 ILE 76 2HG1 ILE 76 2.418 -5.767 -0.964 498 HG21 ILE 76 1HG2 ILE 76 1.731 -2.487 -2.188 499 HG22 ILE 76 2HG2 ILE 76 3.207 -2.223 -3.116 500 HG23 ILE 76 3HG2 ILE 76 1.913 -3.220 -3.782 501 HD11 ILE 76 1HD1 ILE 76 1.815 -4.622 0.935 502 HD12 ILE 76 2HD1 ILE 76 3.160 -3.650 0.336 503 HD13 ILE 76 3HD1 ILE 76 1.499 -3.123 0.060 504 H GLU 77 H GLU 77 3.174 -4.687 -5.780 505 HA GLU 77 HA GLU 77 6.000 -3.882 -6.008 506 HB2 GLU 77 1HB GLU 77 4.191 -5.339 -7.910 507 HB3 GLU 77 2HB GLU 77 5.580 -4.442 -8.508 508 HG2 GLU 77 1HG GLU 77 7.093 -5.811 -7.298 509 HG3 GLU 77 2HG GLU 77 5.781 -6.573 -6.400 510 H CYS 78 H CYS 78 5.996 -1.716 -5.895 511 HA CYS 78 HA CYS 78 3.937 -0.205 -7.322 512 HB2 CYS 78 1HB CYS 78 4.805 1.745 -6.091 513 HB3 CYS 78 2HB CYS 78 4.350 0.439 -5.004 514 HG CYS 78 HG CYS 78 6.825 1.987 -4.415 515 H SER 79 H SER 79 4.316 0.674 -9.240 516 HA SER 79 HA SER 79 7.070 1.355 -9.987 517 HB2 SER 79 1HB SER 79 6.212 -0.922 -10.920 518 HB3 SER 79 2HB SER 79 5.248 0.078 -12.007 519 HG SER 79 HG SER 79 7.005 0.666 -13.043 520 H ASP 80 H ASP 80 7.140 3.419 -10.537 521 HA ASP 80 HA ASP 80 4.820 4.979 -11.006 522 HB2 ASP 80 1HB ASP 80 7.601 5.836 -11.772 523 HB3 ASP 80 2HB ASP 80 6.267 6.826 -11.188 524 H ASN 81 H ASN 81 4.212 6.110 -12.914 525 HA ASN 81 HA ASN 81 4.689 4.550 -15.329 526 HB2 ASN 81 1HB ASN 81 2.706 6.738 -14.679 527 HB3 ASN 81 2HB ASN 81 2.838 5.982 -16.264 528 HD21 ASN 81 1HD2 ASN 81 1.985 5.499 -12.919 529 HD22 ASN 81 2HD2 ASN 81 1.076 4.049 -13.156 530 H GLY 82 H GLY 82 4.758 7.973 -14.333 531 HA2 GLY 82 1HA GLY 82 6.843 9.181 -14.965 532 HA3 GLY 82 2HA GLY 82 6.649 8.455 -16.553 533 H ASP 83 H ASP 83 3.601 8.995 -15.849 534 HA ASP 83 HA ASP 83 3.613 11.630 -17.128 535 HB2 ASP 83 1HB ASP 83 2.320 9.970 -18.306 536 HB3 ASP 83 2HB ASP 83 1.443 9.546 -16.838 537 H GLY 84 H GLY 84 3.091 10.158 -14.115 538 HA2 GLY 84 1HA GLY 84 2.971 11.892 -12.296 539 HA3 GLY 84 2HA GLY 84 1.581 12.516 -13.173 540 H THR 85 H THR 85 1.988 9.103 -13.106 541 HA THR 85 HA THR 85 0.086 8.847 -10.882 542 HB THR 85 HB THR 85 -1.052 7.008 -12.236 543 HG1 THR 85 1HG THR 85 -0.841 7.268 -14.521 544 HG21 THR 85 1HG2 THR 85 -1.612 9.500 -13.696 545 HG22 THR 85 2HG2 THR 85 -1.639 9.643 -11.938 546 HG23 THR 85 3HG2 THR 85 -2.687 8.477 -12.745 547 H CYS 86 H CYS 86 -0.262 6.289 -10.580 548 HA CYS 86 HA CYS 86 2.323 4.930 -10.802 549 HB2 CYS 86 1HB CYS 86 1.836 6.133 -8.503 550 HB3 CYS 86 2HB CYS 86 0.833 4.716 -8.219 551 HG CYS 86 HG CYS 86 2.818 3.475 -7.162 552 H SER 87 H SER 87 2.215 2.696 -10.906 553 HA SER 87 HA SER 87 -0.504 1.571 -11.088 554 HB2 SER 87 1HB SER 87 1.874 1.276 -12.869 555 HB3 SER 87 2HB SER 87 0.795 -0.106 -12.683 556 HG SER 87 HG SER 87 -0.913 1.576 -13.147 557 H VAL 88 H VAL 88 0.059 1.267 -8.702 558 HA VAL 88 HA VAL 88 1.939 -0.803 -8.049 559 HB VAL 88 HB VAL 88 -0.272 0.221 -6.274 560 HG11 VAL 88 1HG1 VAL 88 1.600 -0.249 -4.557 561 HG12 VAL 88 2HG1 VAL 88 0.706 -1.612 -5.233 562 HG13 VAL 88 3HG1 VAL 88 2.316 -1.222 -5.841 563 HG21 VAL 88 1HG2 VAL 88 1.209 1.954 -5.502 564 HG22 VAL 88 2HG2 VAL 88 2.493 1.390 -6.572 565 HG23 VAL 88 3HG2 VAL 88 1.027 2.099 -7.251 566 H SER 89 H SER 89 1.613 -2.930 -8.010 567 HA SER 89 HA SER 89 -1.161 -3.923 -8.066 568 HB2 SER 89 1HB SER 89 -0.281 -5.817 -9.483 569 HB3 SER 89 2HB SER 89 -0.277 -4.241 -10.274 570 HG SER 89 HG SER 89 1.744 -4.715 -10.631 571 H TYR 90 H TYR 90 -1.662 -5.340 -6.527 572 HA TYR 90 HA TYR 90 0.543 -6.636 -5.062 573 HB2 TYR 90 1HB TYR 90 -0.772 -6.511 -3.048 574 HB3 TYR 90 2HB TYR 90 -0.704 -4.903 -3.761 575 HD1 TYR 90 2HD TYR 90 -2.854 -7.795 -3.062 576 HD2 TYR 90 1HD TYR 90 -2.687 -3.852 -4.652 577 HE1 TYR 90 2HE TYR 90 -5.311 -7.681 -3.022 578 HE2 TYR 90 1HE TYR 90 -5.143 -3.726 -4.615 579 HH TYR 90 HH TYR 90 -7.022 -4.764 -3.482 580 H LEU 91 H LEU 91 0.273 -8.777 -4.396 581 HA LEU 91 HA LEU 91 -1.922 -10.214 -5.736 582 HB2 LEU 91 1HB LEU 91 0.975 -10.769 -5.487 583 HB3 LEU 91 2HB LEU 91 -0.113 -12.152 -5.392 584 HG LEU 91 HG LEU 91 -0.415 -10.266 -7.677 585 HD11 LEU 91 1HD1 LEU 91 1.555 -10.680 -8.610 586 HD12 LEU 91 2HD1 LEU 91 1.389 -12.413 -8.327 587 HD13 LEU 91 3HD1 LEU 91 2.073 -11.376 -7.075 588 HD21 LEU 91 1HD2 LEU 91 -0.705 -12.652 -8.733 589 HD22 LEU 91 2HD2 LEU 91 -2.005 -11.914 -7.796 590 HD23 LEU 91 3HD2 LEU 91 -0.962 -13.128 -7.054 591 HA PRO 92 HA PRO 92 -2.989 -11.121 -1.473 592 HB2 PRO 92 1HB PRO 92 -5.356 -12.309 -2.073 593 HB3 PRO 92 2HB PRO 92 -5.145 -10.554 -2.030 594 HG2 PRO 92 1HG PRO 92 -5.162 -12.404 -4.384 595 HG3 PRO 92 2HG PRO 92 -5.930 -10.816 -4.203 596 HD2 PRO 92 1HD PRO 92 -3.593 -11.161 -5.526 597 HD3 PRO 92 2HD PRO 92 -3.970 -9.679 -4.624 598 H THR 93 H THR 93 -3.819 -13.178 -0.386 599 HA THR 93 HA THR 93 -2.703 -15.563 -1.708 600 HB THR 93 HB THR 93 -1.955 -16.344 0.551 601 HG1 THR 93 1HG THR 93 -2.412 -13.629 1.293 602 HG21 THR 93 1HG2 THR 93 -0.418 -13.890 0.355 603 HG22 THR 93 2HG2 THR 93 -0.701 -14.620 -1.226 604 HG23 THR 93 3HG2 THR 93 0.076 -15.555 0.052 605 H LYS 94 H LYS 94 -4.962 -14.279 0.679 606 HA LYS 94 HA LYS 94 -6.687 -16.601 0.203 607 HB2 LYS 94 1HB LYS 94 -7.240 -16.706 2.614 608 HB3 LYS 94 2HB LYS 94 -5.557 -17.099 2.286 609 HG2 LYS 94 1HG LYS 94 -4.857 -14.911 3.019 610 HG3 LYS 94 2HG LYS 94 -6.537 -14.415 3.238 611 HD2 LYS 94 1HD LYS 94 -5.492 -16.819 4.676 612 HD3 LYS 94 2HD LYS 94 -5.136 -15.203 5.290 613 HE2 LYS 94 1HE LYS 94 -7.948 -15.861 4.575 614 HE3 LYS 94 2HE LYS 94 -7.282 -16.542 6.059 615 HZ1 LYS 94 1HZ LYS 94 -7.089 -14.497 7.021 616 HZ2 LYS 94 2HZ LYS 94 -8.451 -14.223 6.058 617 HZ3 LYS 94 3HZ LYS 94 -6.933 -13.675 5.551 618 HA PRO 95 HA PRO 95 -9.910 -13.642 -0.173 619 HB2 PRO 95 1HB PRO 95 -12.043 -15.089 0.679 620 HB3 PRO 95 2HB PRO 95 -11.250 -15.372 -0.875 621 HG2 PRO 95 1HG PRO 95 -10.929 -16.844 1.712 622 HG3 PRO 95 2HG PRO 95 -11.065 -17.490 0.066 623 HD2 PRO 95 1HD PRO 95 -8.690 -17.249 1.345 624 HD3 PRO 95 2HD PRO 95 -8.849 -17.076 -0.415 625 H GLY 96 H GLY 96 -10.321 -11.931 1.071 626 HA2 GLY 96 1HA GLY 96 -11.664 -12.067 3.546 627 HA3 GLY 96 2HA GLY 96 -9.945 -11.852 3.842 628 H GLU 97 H GLU 97 -9.285 -9.824 4.031 629 HA GLU 97 HA GLU 97 -10.415 -7.743 2.353 630 HB2 GLU 97 1HB GLU 97 -11.056 -6.292 4.171 631 HB3 GLU 97 2HB GLU 97 -11.901 -7.824 4.341 632 HG2 GLU 97 1HG GLU 97 -9.520 -6.872 5.908 633 HG3 GLU 97 2HG GLU 97 -11.162 -7.125 6.495 634 H TYR 98 H TYR 98 -8.967 -6.177 1.884 635 HA TYR 98 HA TYR 98 -6.450 -6.150 3.417 636 HB2 TYR 98 1HB TYR 98 -6.790 -5.875 0.423 637 HB3 TYR 98 2HB TYR 98 -5.273 -5.658 1.288 638 HD1 TYR 98 1HD TYR 98 -7.884 -8.140 0.426 639 HD2 TYR 98 2HD TYR 98 -3.938 -7.515 1.889 640 HE1 TYR 98 1HE TYR 98 -7.437 -10.550 0.231 641 HE2 TYR 98 2HE TYR 98 -3.479 -9.924 1.697 642 HH TYR 98 HH TYR 98 -5.417 -12.168 1.666 643 H PHE 99 H PHE 99 -6.197 -4.274 4.411 644 HA PHE 99 HA PHE 99 -7.576 -1.903 3.445 645 HB2 PHE 99 1HB PHE 99 -6.014 -2.486 5.962 646 HB3 PHE 99 2HB PHE 99 -6.659 -0.893 5.581 647 HD1 PHE 99 2HD PHE 99 -7.717 -4.440 5.959 648 HD2 PHE 99 1HD PHE 99 -8.792 -0.333 6.262 649 HE1 PHE 99 2HE PHE 99 -9.874 -5.082 6.953 650 HE2 PHE 99 1HE PHE 99 -10.950 -0.968 7.258 651 HZ PHE 99 HZ PHE 99 -11.494 -3.345 7.603 652 H VAL 100 H VAL 100 -6.633 -0.531 2.101 653 HA VAL 100 HA VAL 100 -3.728 -0.555 1.810 654 HB VAL 100 HB VAL 100 -5.774 0.923 0.150 655 HG11 VAL 100 1HG1 VAL 100 -4.086 1.736 -1.067 656 HG12 VAL 100 2HG1 VAL 100 -3.051 1.289 0.290 657 HG13 VAL 100 3HG1 VAL 100 -3.236 0.191 -1.077 658 HG21 VAL 100 1HG2 VAL 100 -5.393 -1.826 0.308 659 HG22 VAL 100 2HG2 VAL 100 -6.209 -0.945 -0.984 660 HG23 VAL 100 3HG2 VAL 100 -4.494 -1.334 -1.128 661 H ASN 101 H ASN 101 -2.762 0.687 3.311 662 HA ASN 101 HA ASN 101 -3.923 3.153 4.235 663 HB2 ASN 101 1HB ASN 101 -1.225 1.890 4.761 664 HB3 ASN 101 2HB ASN 101 -1.818 3.343 5.559 665 HD21 ASN 101 1HD2 ASN 101 -2.416 -0.084 5.081 666 HD22 ASN 101 2HD2 ASN 101 -3.284 -0.327 6.555 667 H ILE 102 H ILE 102 -3.986 4.754 2.765 668 HA ILE 102 HA ILE 102 -1.575 5.312 1.184 669 HB ILE 102 HB ILE 102 -4.395 6.336 0.838 670 HG12 ILE 102 1HG1 ILE 102 -2.766 4.365 -0.781 671 HG13 ILE 102 2HG1 ILE 102 -4.139 3.971 0.248 672 HG21 ILE 102 1HG2 ILE 102 -2.541 7.908 0.165 673 HG22 ILE 102 2HG2 ILE 102 -2.078 6.709 -1.042 674 HG23 ILE 102 3HG2 ILE 102 -3.670 7.463 -1.114 675 HD11 ILE 102 1HD1 ILE 102 -5.660 4.981 -1.207 676 HD12 ILE 102 2HD1 ILE 102 -4.391 5.857 -2.064 677 HD13 ILE 102 3HD1 ILE 102 -4.541 4.111 -2.256 678 H LEU 103 H LEU 103 -0.237 6.715 2.110 679 HA LEU 103 HA LEU 103 -1.377 9.153 3.294 680 HB2 LEU 103 1HB LEU 103 0.812 8.936 4.784 681 HB3 LEU 103 2HB LEU 103 -0.735 8.238 5.258 682 HG LEU 103 HG LEU 103 0.271 6.134 3.971 683 HD11 LEU 103 1HD1 LEU 103 2.330 7.221 3.307 684 HD12 LEU 103 2HD1 LEU 103 2.670 5.933 4.461 685 HD13 LEU 103 3HD1 LEU 103 2.692 7.616 4.987 686 HD21 LEU 103 1HD2 LEU 103 0.415 5.188 6.020 687 HD22 LEU 103 2HD2 LEU 103 -0.344 6.701 6.515 688 HD23 LEU 103 3HD2 LEU 103 1.401 6.495 6.677 689 H PHE 104 H PHE 104 -0.552 10.970 2.490 690 HA PHE 104 HA PHE 104 1.813 10.775 0.771 691 HB2 PHE 104 1HB PHE 104 -0.392 11.753 -0.064 692 HB3 PHE 104 2HB PHE 104 -0.060 13.129 0.983 693 HD1 PHE 104 1HD PHE 104 2.025 11.086 -1.343 694 HD2 PHE 104 2HD PHE 104 0.616 14.946 -0.234 695 HE1 PHE 104 1HE PHE 104 3.404 12.094 -3.115 696 HE2 PHE 104 2HE PHE 104 1.992 15.960 -2.004 697 HZ PHE 104 HZ PHE 104 3.387 14.534 -3.447 698 H GLU 105 H GLU 105 3.668 11.208 1.764 699 HA GLU 105 HA GLU 105 5.260 12.243 3.017 700 HB2 GLU 105 1HB GLU 105 3.347 14.580 2.879 701 HB3 GLU 105 2HB GLU 105 5.024 14.668 3.400 702 HG2 GLU 105 1HG GLU 105 5.622 13.746 1.110 703 HG3 GLU 105 2HG GLU 105 3.954 14.094 0.658 704 H GLU 106 H GLU 106 3.566 10.597 4.414 705 HA GLU 106 HA GLU 106 3.112 10.024 6.574 706 HB2 GLU 106 1HB GLU 106 4.058 12.729 7.485 707 HB3 GLU 106 2HB GLU 106 4.090 11.205 8.360 708 HG2 GLU 106 1HG GLU 106 5.769 10.390 6.687 709 HG3 GLU 106 2HG GLU 106 5.837 12.036 6.061 710 H VAL 107 H VAL 107 1.263 11.507 4.818 711 HA VAL 107 HA VAL 107 -0.564 12.481 6.911 712 HB VAL 107 HB VAL 107 -0.500 13.646 4.134 713 HG11 VAL 107 1HG1 VAL 107 -1.813 15.427 5.136 714 HG12 VAL 107 2HG1 VAL 107 -2.588 13.865 5.411 715 HG13 VAL 107 3HG1 VAL 107 -1.696 14.651 6.715 716 HG21 VAL 107 1HG2 VAL 107 1.636 13.962 5.584 717 HG22 VAL 107 2HG2 VAL 107 0.913 15.358 4.785 718 HG23 VAL 107 3HG2 VAL 107 0.627 15.080 6.503 719 H HIS 108 H HIS 108 -2.174 11.068 7.044 720 HA HIS 108 HA HIS 108 -2.859 9.205 5.051 721 HB2 HIS 108 1HB HIS 108 -4.013 10.071 7.647 722 HB3 HIS 108 2HB HIS 108 -5.093 9.224 6.543 723 HD1 HIS 108 1HD HIS 108 -5.006 6.749 6.648 724 HD2 HIS 108 2HD HIS 108 -1.567 8.493 8.196 725 HE1 HIS 108 1HE HIS 108 -3.646 4.847 7.574 726 HE2 HIS 108 2HE HIS 108 -1.610 5.935 8.581 727 H ILE 109 H ILE 109 -4.047 9.391 3.272 728 HA ILE 109 HA ILE 109 -5.256 11.892 2.576 729 HB ILE 109 HB ILE 109 -5.823 10.868 0.468 730 HG12 ILE 109 1HG1 ILE 109 -4.758 8.219 1.394 731 HG13 ILE 109 2HG1 ILE 109 -6.442 8.640 1.686 732 HG21 ILE 109 1HG2 ILE 109 -3.600 10.122 -0.263 733 HG22 ILE 109 2HG2 ILE 109 -3.514 11.555 0.759 734 HG23 ILE 109 3HG2 ILE 109 -3.106 9.973 1.423 735 HD11 ILE 109 1HD1 ILE 109 -5.896 7.296 -0.404 736 HD12 ILE 109 2HD1 ILE 109 -6.935 8.709 -0.593 737 HD13 ILE 109 3HD1 ILE 109 -5.234 8.798 -1.050 738 HA PRO 110 HA PRO 110 -9.386 11.248 3.925 739 HB2 PRO 110 1HB PRO 110 -10.756 12.618 2.023 740 HB3 PRO 110 2HB PRO 110 -9.799 13.414 3.277 741 HG2 PRO 110 1HG PRO 110 -9.083 12.837 0.428 742 HG3 PRO 110 2HG PRO 110 -8.801 14.309 1.377 743 HD2 PRO 110 1HD PRO 110 -6.865 12.469 0.932 744 HD3 PRO 110 2HD PRO 110 -6.945 13.429 2.423 745 H GLY 111 H GLY 111 -9.355 8.932 3.490 746 HA2 GLY 111 1HA GLY 111 -11.463 7.847 2.272 747 HA3 GLY 111 2HA GLY 111 -10.375 8.054 0.908 748 H SER 112 H SER 112 -8.207 7.592 3.151 749 HA SER 112 HA SER 112 -8.215 4.675 2.804 750 HB2 SER 112 1HB SER 112 -6.167 5.233 1.978 751 HB3 SER 112 2HB SER 112 -6.096 6.741 2.889 752 HG SER 112 HG SER 112 -5.363 5.659 4.643 753 HA PRO 113 HA PRO 113 -6.570 3.152 3.675 754 HB2 PRO 113 1HB PRO 113 -7.406 0.818 4.781 755 HB3 PRO 113 2HB PRO 113 -5.993 1.706 5.364 756 HG2 PRO 113 1HG PRO 113 -8.781 1.657 6.453 757 HG3 PRO 113 2HG PRO 113 -7.238 1.593 7.325 758 HD2 PRO 113 1HD PRO 113 -8.695 3.866 7.106 759 HD3 PRO 113 2HD PRO 113 -6.921 3.872 7.186 760 H PHE 114 H PHE 114 -7.394 1.790 2.030 761 HA PHE 114 HA PHE 114 -10.278 2.105 1.601 762 HB2 PHE 114 1HB PHE 114 -7.955 1.683 -0.264 763 HB3 PHE 114 2HB PHE 114 -9.610 1.399 -0.791 764 HD1 PHE 114 1HD PHE 114 -7.378 3.982 0.658 765 HD2 PHE 114 2HD PHE 114 -10.940 3.163 -1.522 766 HE1 PHE 114 1HE PHE 114 -7.627 6.381 0.171 767 HE2 PHE 114 2HE PHE 114 -11.195 5.561 -2.014 768 HZ PHE 114 HZ PHE 114 -9.536 7.173 -1.168 769 H LYS 115 H LYS 115 -11.169 0.395 2.682 770 HA LYS 115 HA LYS 115 -10.176 -2.209 2.803 771 HB2 LYS 115 1HB LYS 115 -12.080 -1.124 4.147 772 HB3 LYS 115 2HB LYS 115 -13.117 -1.564 2.797 773 HG2 LYS 115 1HG LYS 115 -12.841 -3.850 3.174 774 HG3 LYS 115 2HG LYS 115 -11.409 -3.602 4.177 775 HD2 LYS 115 1HD LYS 115 -13.188 -4.152 5.650 776 HD3 LYS 115 2HD LYS 115 -12.907 -2.418 5.823 777 HE2 LYS 115 1HE LYS 115 -14.761 -2.077 4.144 778 HE3 LYS 115 2HE LYS 115 -15.117 -3.796 4.311 779 HZ1 LYS 115 1HZ LYS 115 -15.244 -3.264 6.801 780 HZ2 LYS 115 2HZ LYS 115 -16.538 -2.796 5.818 781 HZ3 LYS 115 3HZ LYS 115 -15.397 -1.651 6.316 782 H ALA 116 H ALA 116 -9.886 -3.662 1.258 783 HA ALA 116 HA ALA 116 -11.656 -3.585 -1.099 784 HB1 ALA 116 1HB ALA 116 -9.823 -3.344 -2.327 785 HB2 ALA 116 2HB ALA 116 -8.788 -3.545 -0.912 786 HB3 ALA 116 3HB ALA 116 -9.328 -4.959 -1.817 787 H ASP 117 H ASP 117 -13.123 -5.147 -0.734 788 HA ASP 117 HA ASP 117 -12.519 -7.581 0.633 789 HB2 ASP 117 1HB ASP 117 -14.904 -6.439 -0.751 790 HB3 ASP 117 2HB ASP 117 -14.862 -8.176 -0.465 791 H ILE 118 H ILE 118 -11.334 -9.148 -0.221 792 HA ILE 118 HA ILE 118 -11.184 -9.484 -3.105 793 HB ILE 118 HB ILE 118 -9.720 -10.882 -0.865 794 HG12 ILE 118 1HG1 ILE 118 -9.183 -8.460 -1.314 795 HG13 ILE 118 2HG1 ILE 118 -7.825 -9.565 -1.504 796 HG21 ILE 118 1HG2 ILE 118 -8.317 -11.316 -3.202 797 HG22 ILE 118 2HG2 ILE 118 -9.318 -12.493 -2.352 798 HG23 ILE 118 3HG2 ILE 118 -10.000 -11.549 -3.677 799 HD11 ILE 118 1HD1 ILE 118 -8.170 -7.728 -3.254 800 HD12 ILE 118 2HD1 ILE 118 -7.833 -9.366 -3.816 801 HD13 ILE 118 3HD1 ILE 118 -9.482 -8.742 -3.853 802 H GLU 119 H GLU 119 -12.194 -11.020 -4.237 803 HA GLU 119 HA GLU 119 -13.738 -13.028 -2.745 804 HB2 GLU 119 1HB GLU 119 -14.128 -11.941 -5.538 805 HB3 GLU 119 2HB GLU 119 -15.107 -13.208 -4.813 806 HG2 GLU 119 1HG GLU 119 -15.654 -11.546 -2.983 807 HG3 GLU 119 2HG GLU 119 -14.931 -10.320 -4.023 808 H MET 120 H MET 120 -13.926 -15.177 -3.668 809 HA MET 120 HA MET 120 -11.373 -16.152 -4.568 810 HB2 MET 120 1HB MET 120 -13.991 -17.516 -3.944 811 HB3 MET 120 2HB MET 120 -12.572 -18.387 -4.510 812 HG2 MET 120 1HG MET 120 -11.347 -17.365 -2.535 813 HG3 MET 120 2HG MET 120 -12.936 -16.896 -1.935 814 HE1 MET 120 1HE MET 120 -10.852 -20.805 -2.224 815 HE2 MET 120 2HE MET 120 -10.289 -19.137 -2.329 816 HE3 MET 120 3HE MET 120 -10.586 -19.870 -0.752 817 HA PRO 121 HA PRO 121 -12.184 -16.128 -8.897 818 HB2 PRO 121 1HB PRO 121 -10.394 -18.017 -9.667 819 HB3 PRO 121 2HB PRO 121 -9.918 -16.390 -9.167 820 HG2 PRO 121 1HG PRO 121 -9.893 -18.938 -7.596 821 HG3 PRO 121 2HG PRO 121 -8.670 -17.656 -7.668 822 HD2 PRO 121 1HD PRO 121 -10.435 -17.872 -5.626 823 HD3 PRO 121 2HD PRO 121 -9.814 -16.307 -6.191 824 H PHE 122 H PHE 122 -13.127 -17.375 -10.557 825 HA PHE 122 HA PHE 122 -13.924 -20.110 -9.937 826 HB2 PHE 122 1HB PHE 122 -15.708 -18.557 -9.061 827 HB3 PHE 122 2HB PHE 122 -15.981 -18.041 -10.722 828 HD1 PHE 122 2HD PHE 122 -15.368 -21.417 -9.273 829 HD2 PHE 122 1HD PHE 122 -18.041 -18.846 -11.362 830 HE1 PHE 122 2HE PHE 122 -16.919 -23.299 -9.598 831 HE2 PHE 122 1HE PHE 122 -19.597 -20.724 -11.689 832 HZ PHE 122 HZ PHE 122 -19.036 -22.954 -10.808 833 H ASP 123 H ASP 123 -13.647 -21.339 -11.671 834 HA ASP 123 HA ASP 123 -13.552 -20.038 -14.308 835 HB2 ASP 123 1HB ASP 123 -12.414 -22.745 -13.608 836 HB3 ASP 123 2HB ASP 123 -12.070 -21.762 -15.028 837 HA PRO 124 HA PRO 124 -17.449 -22.414 -14.566 838 HB2 PRO 124 1HB PRO 124 -18.578 -20.752 -16.392 839 HB3 PRO 124 2HB PRO 124 -18.609 -20.433 -14.654 840 HG2 PRO 124 1HG PRO 124 -16.794 -19.311 -16.753 841 HG3 PRO 124 2HG PRO 124 -17.594 -18.481 -15.406 842 HD2 PRO 124 1HD PRO 124 -14.991 -19.222 -15.321 843 HD3 PRO 124 2HD PRO 124 -16.020 -19.181 -13.875 844 H SER 125 H SER 125 -14.914 -21.708 -16.696 845 HA SER 125 HA SER 125 -15.670 -22.410 -19.199 846 HB2 SER 125 1HB SER 125 -13.366 -21.854 -18.697 847 HB3 SER 125 2HB SER 125 -13.182 -23.319 -17.733 848 HG SER 125 HG SER 125 -12.651 -23.075 -20.252 849 H SER 126 H SER 126 -15.678 -24.390 -20.412 850 HA SER 126 HA SER 126 -16.312 -26.769 -18.794 851 HB2 SER 126 1HB SER 126 -17.740 -25.737 -21.250 852 HB3 SER 126 2HB SER 126 -17.971 -27.361 -20.605 853 HG SER 126 HG SER 126 -18.429 -26.135 -18.548 854 H GLY 127 H GLY 127 -16.122 -28.827 -20.033 855 HA2 GLY 127 1HA GLY 127 -14.776 -29.043 -22.477 856 HA3 GLY 127 2HA GLY 127 -13.566 -29.040 -21.202 857 HA PRO 128 HA PRO 128 -14.119 -33.374 -20.793 858 HB2 PRO 128 1HB PRO 128 -13.284 -33.711 -18.232 859 HB3 PRO 128 2HB PRO 128 -12.177 -33.365 -19.565 860 HG2 PRO 128 1HG PRO 128 -13.322 -31.501 -17.522 861 HG3 PRO 128 2HG PRO 128 -11.664 -31.597 -18.144 862 HD2 PRO 128 1HD PRO 128 -13.440 -29.746 -19.011 863 HD3 PRO 128 2HD PRO 128 -12.182 -30.428 -20.062 864 H SER 129 H SER 129 -15.200 -31.559 -17.914 865 HA SER 129 HA SER 129 -16.910 -33.376 -16.799 866 HB2 SER 129 1HB SER 129 -16.958 -30.383 -16.940 867 HB3 SER 129 2HB SER 129 -18.311 -31.235 -16.196 868 HG SER 129 HG SER 129 -17.075 -31.801 -14.564 869 H SER 130 H SER 130 -17.902 -30.866 -19.134 870 HA SER 130 HA SER 130 -20.520 -31.743 -19.488 871 HB2 SER 130 1HB SER 130 -19.401 -29.573 -20.311 872 HB3 SER 130 2HB SER 130 -18.908 -30.514 -21.718 873 HG SER 130 HG SER 130 -20.923 -29.405 -21.998 874 H GLY 131 H GLY 131 -17.765 -32.325 -21.689 875 HA2 GLY 131 1HA GLY 131 -17.512 -34.807 -22.213 876 HA3 GLY 131 2HA GLY 131 -19.202 -34.702 -22.683 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -10.702 22.084 -42.128 2 HA2 GLY 1 1HA GLY 1 -10.996 24.021 -40.133 3 HA3 GLY 1 2HA GLY 1 -12.252 24.301 -41.330 4 H SER 2 H SER 2 -13.387 23.817 -39.129 5 HA SER 2 HA SER 2 -14.357 21.078 -39.329 6 HB2 SER 2 1HB SER 2 -14.131 20.636 -36.944 7 HB3 SER 2 2HB SER 2 -12.549 21.004 -37.629 8 HG SER 2 HG SER 2 -12.762 22.174 -35.751 9 H SER 3 H SER 3 -16.384 20.746 -38.176 10 HA SER 3 HA SER 3 -17.879 23.267 -37.874 11 HB2 SER 3 1HB SER 3 -18.734 20.557 -38.885 12 HB3 SER 3 2HB SER 3 -19.901 21.780 -38.383 13 HG SER 3 HG SER 3 -18.087 21.830 -40.536 14 H GLY 4 H GLY 4 -19.772 23.128 -36.380 15 HA2 GLY 4 1HA GLY 4 -18.892 22.139 -33.837 16 HA3 GLY 4 2HA GLY 4 -20.404 22.972 -34.165 17 H SER 5 H SER 5 -18.842 19.841 -34.847 18 HA SER 5 HA SER 5 -21.386 18.501 -34.997 19 HB2 SER 5 1HB SER 5 -19.296 17.875 -36.316 20 HB3 SER 5 2HB SER 5 -18.674 17.185 -34.817 21 HG SER 5 HG SER 5 -19.955 15.537 -35.064 22 H SER 6 H SER 6 -21.599 16.378 -33.704 23 HA SER 6 HA SER 6 -22.083 16.936 -31.060 24 HB2 SER 6 1HB SER 6 -22.249 14.522 -30.699 25 HB3 SER 6 2HB SER 6 -22.970 14.957 -32.248 26 HG SER 6 HG SER 6 -20.851 13.339 -31.718 27 H GLY 7 H GLY 7 -20.844 17.300 -29.346 28 HA2 GLY 7 1HA GLY 7 -19.103 16.571 -27.843 29 HA3 GLY 7 2HA GLY 7 -18.177 16.050 -29.243 30 H ASP 8 H ASP 8 -17.117 17.664 -27.219 31 HA ASP 8 HA ASP 8 -16.150 19.855 -28.796 32 HB2 ASP 8 1HB ASP 8 -18.269 20.793 -27.895 33 HB3 ASP 8 2HB ASP 8 -17.670 20.509 -26.263 34 H VAL 9 H VAL 9 -14.136 20.451 -28.179 35 HA VAL 9 HA VAL 9 -12.857 18.890 -26.125 36 HB VAL 9 HB VAL 9 -10.814 20.229 -26.794 37 HG11 VAL 9 1HG1 VAL 9 -11.458 19.186 -29.357 38 HG12 VAL 9 2HG1 VAL 9 -10.463 18.463 -28.092 39 HG13 VAL 9 3HG1 VAL 9 -12.198 18.149 -28.138 40 HG21 VAL 9 1HG2 VAL 9 -12.609 21.978 -27.849 41 HG22 VAL 9 2HG2 VAL 9 -10.902 21.905 -28.288 42 HG23 VAL 9 3HG2 VAL 9 -12.105 21.086 -29.284 43 H THR 10 H THR 10 -13.978 19.679 -24.261 44 HA THR 10 HA THR 10 -14.009 22.384 -23.472 45 HB THR 10 HB THR 10 -15.295 20.282 -22.520 46 HG1 THR 10 1HG THR 10 -15.988 22.122 -21.667 47 HG21 THR 10 1HG2 THR 10 -13.296 19.151 -21.667 48 HG22 THR 10 2HG2 THR 10 -14.399 19.566 -20.355 49 HG23 THR 10 3HG2 THR 10 -12.952 20.535 -20.629 50 H TYR 11 H TYR 11 -11.440 20.253 -23.734 51 HA TYR 11 HA TYR 11 -9.284 20.244 -23.003 52 HB2 TYR 11 1HB TYR 11 -10.046 23.133 -22.993 53 HB3 TYR 11 2HB TYR 11 -8.492 22.669 -22.311 54 HD1 TYR 11 2HD TYR 11 -6.836 21.460 -23.769 55 HD2 TYR 11 1HD TYR 11 -10.368 23.243 -25.332 56 HE1 TYR 11 2HE TYR 11 -5.855 21.412 -26.024 57 HE2 TYR 11 1HE TYR 11 -9.398 23.199 -27.592 58 HH TYR 11 HH TYR 11 -6.915 21.365 -28.490 59 H ASP 12 H ASP 12 -10.893 19.247 -21.109 60 HA ASP 12 HA ASP 12 -10.220 20.575 -18.586 61 HB2 ASP 12 1HB ASP 12 -12.472 20.026 -18.500 62 HB3 ASP 12 2HB ASP 12 -12.247 18.526 -19.395 63 H GLY 13 H GLY 13 -10.085 17.327 -20.054 64 HA2 GLY 13 1HA GLY 13 -8.345 16.334 -17.986 65 HA3 GLY 13 2HA GLY 13 -8.833 15.478 -19.441 66 H HIS 14 H HIS 14 -7.938 17.147 -21.423 67 HA HIS 14 HA HIS 14 -5.303 16.414 -21.761 68 HB2 HIS 14 1HB HIS 14 -6.399 18.958 -22.942 69 HB3 HIS 14 2HB HIS 14 -5.252 17.826 -23.652 70 HD1 HIS 14 1HD HIS 14 -8.437 18.867 -24.332 71 HD2 HIS 14 2HD HIS 14 -6.863 15.083 -23.651 72 HE1 HIS 14 1HE HIS 14 -10.058 17.264 -25.393 73 HE2 HIS 14 2HE HIS 14 -9.129 14.977 -24.894 74 HA PRO 15 HA PRO 15 -3.046 19.045 -19.024 75 HB2 PRO 15 1HB PRO 15 -0.581 18.655 -20.091 76 HB3 PRO 15 2HB PRO 15 -1.402 17.443 -19.100 77 HG2 PRO 15 1HG PRO 15 -1.184 17.621 -22.081 78 HG3 PRO 15 2HG PRO 15 -1.025 16.201 -21.030 79 HD2 PRO 15 1HD PRO 15 -3.291 16.748 -22.409 80 HD3 PRO 15 2HD PRO 15 -3.307 15.940 -20.829 81 H VAL 16 H VAL 16 -1.159 20.722 -19.320 82 HA VAL 16 HA VAL 16 -2.149 22.709 -21.176 83 HB VAL 16 HB VAL 16 -0.490 24.209 -20.122 84 HG11 VAL 16 1HG1 VAL 16 -1.822 22.898 -17.818 85 HG12 VAL 16 2HG1 VAL 16 -1.795 24.596 -18.297 86 HG13 VAL 16 3HG1 VAL 16 -2.844 23.457 -19.142 87 HG21 VAL 16 1HG2 VAL 16 0.168 22.398 -17.936 88 HG22 VAL 16 2HG2 VAL 16 0.843 21.888 -19.484 89 HG23 VAL 16 3HG2 VAL 16 1.205 23.494 -18.851 90 HA PRO 17 HA PRO 17 0.792 22.009 -24.376 91 HB2 PRO 17 1HB PRO 17 0.791 24.475 -25.511 92 HB3 PRO 17 2HB PRO 17 -0.547 23.335 -25.690 93 HG2 PRO 17 1HG PRO 17 -0.282 25.668 -23.834 94 HG3 PRO 17 2HG PRO 17 -1.682 25.155 -24.794 95 HD2 PRO 17 1HD PRO 17 -1.452 24.618 -22.150 96 HD3 PRO 17 2HD PRO 17 -2.284 23.527 -23.277 97 H GLY 18 H GLY 18 2.921 22.554 -25.049 98 HA2 GLY 18 1HA GLY 18 5.041 23.458 -24.852 99 HA3 GLY 18 2HA GLY 18 4.384 24.660 -23.751 100 H SER 19 H SER 19 4.940 21.136 -23.808 101 HA SER 19 HA SER 19 5.066 20.696 -21.093 102 HB2 SER 19 1HB SER 19 6.172 19.337 -23.483 103 HB3 SER 19 2HB SER 19 6.910 18.912 -21.939 104 HG SER 19 HG SER 19 4.905 17.742 -22.752 105 HA PRO 20 HA PRO 20 9.822 21.528 -21.118 106 HB2 PRO 20 1HB PRO 20 10.894 22.603 -23.369 107 HB3 PRO 20 2HB PRO 20 10.752 20.860 -23.110 108 HG2 PRO 20 1HG PRO 20 8.991 22.689 -24.696 109 HG3 PRO 20 2HG PRO 20 9.583 21.070 -25.109 110 HD2 PRO 20 1HD PRO 20 7.083 21.510 -24.167 111 HD3 PRO 20 2HD PRO 20 7.984 20.019 -23.824 112 H TYR 21 H TYR 21 7.428 23.614 -22.350 113 HA TYR 21 HA TYR 21 8.926 26.048 -21.803 114 HB2 TYR 21 1HB TYR 21 6.281 25.418 -23.042 115 HB3 TYR 21 2HB TYR 21 6.540 27.026 -22.377 116 HD1 TYR 21 1HD TYR 21 8.682 28.267 -23.185 117 HD2 TYR 21 2HD TYR 21 6.946 24.958 -25.219 118 HE1 TYR 21 1HE TYR 21 9.833 28.941 -25.251 119 HE2 TYR 21 2HE TYR 21 8.093 25.622 -27.291 120 HH TYR 21 HH TYR 21 9.283 27.237 -28.300 121 H THR 22 H THR 22 8.660 24.480 -19.548 122 HA THR 22 HA THR 22 7.249 26.296 -17.800 123 HB THR 22 HB THR 22 6.174 24.197 -16.641 124 HG1 THR 22 1HG THR 22 7.071 23.185 -18.980 125 HG21 THR 22 1HG2 THR 22 4.116 24.772 -17.581 126 HG22 THR 22 2HG2 THR 22 4.826 25.120 -19.158 127 HG23 THR 22 3HG2 THR 22 5.085 26.227 -17.810 128 H VAL 23 H VAL 23 8.151 26.391 -15.800 129 HA VAL 23 HA VAL 23 10.332 24.487 -15.247 130 HB VAL 23 HB VAL 23 10.114 27.278 -14.127 131 HG11 VAL 23 1HG1 VAL 23 11.981 26.812 -13.005 132 HG12 VAL 23 2HG1 VAL 23 11.709 25.121 -13.429 133 HG13 VAL 23 3HG1 VAL 23 12.754 26.126 -14.433 134 HG21 VAL 23 1HG2 VAL 23 11.464 28.120 -15.839 135 HG22 VAL 23 2HG2 VAL 23 11.913 26.510 -16.404 136 HG23 VAL 23 3HG2 VAL 23 10.281 27.119 -16.683 137 H GLU 24 H GLU 24 7.676 23.884 -14.536 138 HA GLU 24 HA GLU 24 7.208 24.567 -11.793 139 HB2 GLU 24 1HB GLU 24 5.336 23.026 -11.923 140 HB3 GLU 24 2HB GLU 24 5.367 24.052 -13.350 141 HG2 GLU 24 1HG GLU 24 6.701 21.396 -13.462 142 HG3 GLU 24 2HG GLU 24 4.942 21.477 -13.541 143 H ALA 25 H ALA 25 9.740 23.647 -11.850 144 HA ALA 25 HA ALA 25 9.737 20.840 -11.063 145 HB1 ALA 25 1HB ALA 25 12.126 22.659 -11.069 146 HB2 ALA 25 2HB ALA 25 12.075 20.902 -11.220 147 HB3 ALA 25 3HB ALA 25 11.511 21.918 -12.547 148 H SER 26 H SER 26 8.275 22.511 -9.354 149 HA SER 26 HA SER 26 9.358 21.818 -6.849 150 HB2 SER 26 1HB SER 26 9.937 24.562 -7.847 151 HB3 SER 26 2HB SER 26 9.453 24.402 -6.159 152 HG SER 26 HG SER 26 11.386 22.636 -7.106 153 H LEU 27 H LEU 27 7.468 21.193 -6.025 154 HA LEU 27 HA LEU 27 5.384 23.192 -5.653 155 HB2 LEU 27 1HB LEU 27 4.817 20.501 -6.887 156 HB3 LEU 27 2HB LEU 27 3.619 21.718 -6.448 157 HG LEU 27 HG LEU 27 5.733 22.455 -8.412 158 HD11 LEU 27 1HD1 LEU 27 3.260 20.944 -9.219 159 HD12 LEU 27 2HD1 LEU 27 4.847 20.191 -9.060 160 HD13 LEU 27 3HD1 LEU 27 4.595 21.474 -10.243 161 HD21 LEU 27 1HD2 LEU 27 2.800 23.078 -8.464 162 HD22 LEU 27 2HD2 LEU 27 4.137 23.972 -9.188 163 HD23 LEU 27 3HD2 LEU 27 3.916 23.979 -7.438 164 HA PRO 28 HA PRO 28 5.194 21.289 -1.687 165 HB2 PRO 28 1HB PRO 28 2.757 22.190 -0.900 166 HB3 PRO 28 2HB PRO 28 4.187 23.227 -0.973 167 HG2 PRO 28 1HG PRO 28 1.949 22.943 -2.942 168 HG3 PRO 28 2HG PRO 28 2.752 24.415 -2.365 169 HD2 PRO 28 1HD PRO 28 3.336 23.277 -4.752 170 HD3 PRO 28 2HD PRO 28 4.547 24.144 -3.785 171 HA PRO 29 HA PRO 29 2.990 17.501 -2.222 172 HB2 PRO 29 1HB PRO 29 2.991 16.653 0.357 173 HB3 PRO 29 2HB PRO 29 4.432 16.620 -0.665 174 HG2 PRO 29 1HG PRO 29 3.627 18.623 1.408 175 HG3 PRO 29 2HG PRO 29 5.220 17.907 1.104 176 HD2 PRO 29 1HD PRO 29 4.548 20.384 0.240 177 HD3 PRO 29 2HD PRO 29 5.665 19.332 -0.652 178 H ASP 30 H ASP 30 0.874 17.468 -2.634 179 HA ASP 30 HA ASP 30 -0.976 18.476 -0.574 180 HB2 ASP 30 1HB ASP 30 -0.799 19.521 -3.005 181 HB3 ASP 30 2HB ASP 30 -1.846 18.164 -3.412 182 HA PRO 31 HA PRO 31 -1.812 14.006 -0.558 183 HB2 PRO 31 1HB PRO 31 -2.863 14.005 1.946 184 HB3 PRO 31 2HB PRO 31 -1.124 13.952 1.634 185 HG2 PRO 31 1HG PRO 31 -2.846 16.288 2.369 186 HG3 PRO 31 2HG PRO 31 -1.238 15.850 2.974 187 HD2 PRO 31 1HD PRO 31 -1.616 17.755 1.087 188 HD3 PRO 31 2HD PRO 31 -0.168 16.729 1.131 189 H SER 32 H SER 32 -3.912 16.705 0.295 190 HA SER 32 HA SER 32 -6.349 15.258 0.244 191 HB2 SER 32 1HB SER 32 -5.713 18.197 -0.027 192 HB3 SER 32 2HB SER 32 -7.363 17.577 -0.048 193 HG SER 32 HG SER 32 -5.544 16.998 2.040 194 H LYS 33 H LYS 33 -4.273 16.398 -2.216 195 HA LYS 33 HA LYS 33 -6.346 16.442 -4.257 196 HB2 LYS 33 1HB LYS 33 -3.365 16.919 -4.373 197 HB3 LYS 33 2HB LYS 33 -4.415 16.966 -5.784 198 HG2 LYS 33 1HG LYS 33 -4.824 18.714 -3.373 199 HG3 LYS 33 2HG LYS 33 -3.848 19.189 -4.765 200 HD2 LYS 33 1HD LYS 33 -5.664 19.419 -6.132 201 HD3 LYS 33 2HD LYS 33 -6.598 18.188 -5.278 202 HE2 LYS 33 1HE LYS 33 -5.950 20.881 -4.098 203 HE3 LYS 33 2HE LYS 33 -7.413 20.565 -5.031 204 HZ1 LYS 33 1HZ LYS 33 -8.156 19.019 -3.431 205 HZ2 LYS 33 2HZ LYS 33 -7.642 20.375 -2.559 206 HZ3 LYS 33 3HZ LYS 33 -6.665 18.996 -2.631 207 H VAL 34 H VAL 34 -4.243 14.202 -2.832 208 HA VAL 34 HA VAL 34 -3.846 12.512 -5.115 209 HB VAL 34 HB VAL 34 -3.491 11.973 -2.165 210 HG11 VAL 34 1HG1 VAL 34 -2.956 10.261 -4.573 211 HG12 VAL 34 2HG1 VAL 34 -2.078 10.038 -3.059 212 HG13 VAL 34 3HG1 VAL 34 -3.831 9.851 -3.098 213 HG21 VAL 34 1HG2 VAL 34 -1.137 11.996 -3.876 214 HG22 VAL 34 2HG2 VAL 34 -1.991 13.539 -3.865 215 HG23 VAL 34 3HG2 VAL 34 -1.435 12.829 -2.350 216 H LYS 35 H LYS 35 -5.488 11.484 -6.043 217 HA LYS 35 HA LYS 35 -7.629 10.405 -4.335 218 HB2 LYS 35 1HB LYS 35 -7.587 11.343 -7.190 219 HB3 LYS 35 2HB LYS 35 -8.844 10.252 -6.621 220 HG2 LYS 35 1HG LYS 35 -9.328 11.944 -4.815 221 HG3 LYS 35 2HG LYS 35 -8.260 13.047 -5.686 222 HD2 LYS 35 1HD LYS 35 -9.780 12.379 -7.728 223 HD3 LYS 35 2HD LYS 35 -10.936 11.981 -6.456 224 HE2 LYS 35 1HE LYS 35 -9.528 14.636 -6.651 225 HE3 LYS 35 2HE LYS 35 -11.100 14.315 -7.383 226 HZ1 LYS 35 1HZ LYS 35 -12.069 14.672 -5.441 227 HZ2 LYS 35 2HZ LYS 35 -10.573 15.088 -4.770 228 HZ3 LYS 35 3HZ LYS 35 -11.122 13.490 -4.687 229 H ALA 36 H ALA 36 -8.114 8.266 -4.368 230 HA ALA 36 HA ALA 36 -6.443 6.554 -6.090 231 HB1 ALA 36 1HB ALA 36 -6.767 4.827 -4.263 232 HB2 ALA 36 2HB ALA 36 -5.729 6.198 -3.873 233 HB3 ALA 36 3HB ALA 36 -7.384 6.144 -3.265 234 H HIS 37 H HIS 37 -7.627 5.739 -7.688 235 HA HIS 37 HA HIS 37 -10.212 4.523 -7.035 236 HB2 HIS 37 1HB HIS 37 -11.067 5.410 -9.269 237 HB3 HIS 37 2HB HIS 37 -10.927 6.580 -7.960 238 HD1 HIS 37 1HD HIS 37 -9.907 5.975 -11.398 239 HD2 HIS 37 2HD HIS 37 -8.534 8.252 -8.206 240 HE1 HIS 37 1HE HIS 37 -8.349 7.673 -12.405 241 HE2 HIS 37 2HE HIS 37 -7.465 8.984 -10.444 242 H GLY 38 H GLY 38 -10.619 2.624 -8.065 243 HA2 GLY 38 1HA GLY 38 -9.802 1.692 -10.483 244 HA3 GLY 38 2HA GLY 38 -8.411 1.393 -9.451 245 HA PRO 39 HA PRO 39 -11.526 -2.134 -9.214 246 HB2 PRO 39 1HB PRO 39 -9.903 -4.054 -10.237 247 HB3 PRO 39 2HB PRO 39 -10.958 -3.053 -11.241 248 HG2 PRO 39 1HG PRO 39 -8.028 -2.765 -10.699 249 HG3 PRO 39 2HG PRO 39 -8.904 -2.597 -12.231 250 HD2 PRO 39 1HD PRO 39 -8.119 -0.463 -10.761 251 HD3 PRO 39 2HD PRO 39 -9.596 -0.452 -11.746 252 H GLY 40 H GLY 40 -7.990 -2.283 -8.752 253 HA2 GLY 40 1HA GLY 40 -7.828 -4.290 -6.879 254 HA3 GLY 40 2HA GLY 40 -6.747 -2.905 -6.919 255 H LEU 41 H LEU 41 -9.177 -1.137 -6.465 256 HA LEU 41 HA LEU 41 -8.991 -1.152 -3.589 257 HB2 LEU 41 1HB LEU 41 -10.718 0.599 -5.325 258 HB3 LEU 41 2HB LEU 41 -10.215 0.902 -3.663 259 HG LEU 41 HG LEU 41 -8.332 0.824 -6.017 260 HD11 LEU 41 1HD1 LEU 41 -10.205 2.821 -5.304 261 HD12 LEU 41 2HD1 LEU 41 -8.936 2.893 -6.526 262 HD13 LEU 41 3HD1 LEU 41 -8.600 3.414 -4.875 263 HD21 LEU 41 1HD2 LEU 41 -7.593 0.376 -3.553 264 HD22 LEU 41 2HD2 LEU 41 -7.789 2.121 -3.384 265 HD23 LEU 41 3HD2 LEU 41 -6.660 1.471 -4.574 266 H GLU 42 H GLU 42 -11.447 -1.837 -6.024 267 HA GLU 42 HA GLU 42 -13.540 -2.248 -4.104 268 HB2 GLU 42 1HB GLU 42 -13.362 -2.986 -7.030 269 HB3 GLU 42 2HB GLU 42 -14.814 -3.121 -6.049 270 HG2 GLU 42 1HG GLU 42 -15.127 -0.849 -5.946 271 HG3 GLU 42 2HG GLU 42 -13.425 -0.494 -6.237 272 H GLY 43 H GLY 43 -11.285 -4.291 -5.881 273 HA2 GLY 43 1HA GLY 43 -10.862 -6.296 -4.200 274 HA3 GLY 43 2HA GLY 43 -12.476 -6.709 -4.759 275 H GLY 44 H GLY 44 -10.972 -8.658 -5.308 276 HA2 GLY 44 1HA GLY 44 -10.695 -8.664 -8.157 277 HA3 GLY 44 2HA GLY 44 -9.134 -8.675 -7.349 278 H LEU 45 H LEU 45 -8.295 -10.626 -7.115 279 HA LEU 45 HA LEU 45 -9.956 -12.836 -6.229 280 HB2 LEU 45 1HB LEU 45 -8.405 -12.932 -8.812 281 HB3 LEU 45 2HB LEU 45 -9.141 -14.327 -8.024 282 HG LEU 45 HG LEU 45 -10.759 -11.962 -8.936 283 HD11 LEU 45 1HD1 LEU 45 -9.914 -12.588 -10.977 284 HD12 LEU 45 2HD1 LEU 45 -11.317 -13.649 -10.853 285 HD13 LEU 45 3HD1 LEU 45 -9.706 -14.273 -10.498 286 HD21 LEU 45 1HD2 LEU 45 -11.785 -13.482 -7.310 287 HD22 LEU 45 2HD2 LEU 45 -11.472 -14.842 -8.388 288 HD23 LEU 45 3HD2 LEU 45 -12.587 -13.566 -8.878 289 H VAL 46 H VAL 46 -8.792 -14.515 -5.263 290 HA VAL 46 HA VAL 46 -6.385 -13.793 -4.006 291 HB VAL 46 HB VAL 46 -7.492 -16.584 -4.343 292 HG11 VAL 46 1HG1 VAL 46 -5.304 -15.401 -2.739 293 HG12 VAL 46 2HG1 VAL 46 -6.321 -16.605 -1.944 294 HG13 VAL 46 3HG1 VAL 46 -5.461 -17.016 -3.428 295 HG21 VAL 46 1HG2 VAL 46 -8.990 -14.703 -3.345 296 HG22 VAL 46 2HG2 VAL 46 -8.874 -16.257 -2.520 297 HG23 VAL 46 3HG2 VAL 46 -7.948 -14.876 -1.933 298 H GLY 47 H GLY 47 -4.264 -14.365 -4.346 299 HA2 GLY 47 1HA GLY 47 -2.391 -14.947 -5.539 300 HA3 GLY 47 2HA GLY 47 -3.344 -16.277 -6.181 301 H LYS 48 H LYS 48 -4.717 -13.232 -6.767 302 HA LYS 48 HA LYS 48 -3.659 -13.265 -9.517 303 HB2 LYS 48 1HB LYS 48 -6.395 -12.842 -8.428 304 HB3 LYS 48 2HB LYS 48 -5.931 -11.893 -9.834 305 HG2 LYS 48 1HG LYS 48 -5.157 -14.259 -10.726 306 HG3 LYS 48 2HG LYS 48 -6.375 -14.813 -9.574 307 HD2 LYS 48 1HD LYS 48 -7.697 -14.545 -11.415 308 HD3 LYS 48 2HD LYS 48 -7.810 -12.917 -10.743 309 HE2 LYS 48 1HE LYS 48 -5.592 -13.506 -12.633 310 HE3 LYS 48 2HE LYS 48 -7.220 -13.346 -13.290 311 HZ1 LYS 48 1HZ LYS 48 -5.809 -11.318 -11.641 312 HZ2 LYS 48 2HZ LYS 48 -7.378 -11.164 -12.253 313 HZ3 LYS 48 3HZ LYS 48 -6.061 -11.235 -13.312 314 HA PRO 49 HA PRO 49 -2.075 -9.211 -8.904 315 HB2 PRO 49 1HB PRO 49 -2.178 -8.270 -11.448 316 HB3 PRO 49 2HB PRO 49 -0.999 -9.475 -10.917 317 HG2 PRO 49 1HG PRO 49 -3.575 -9.866 -12.392 318 HG3 PRO 49 2HG PRO 49 -2.000 -10.631 -12.669 319 HD2 PRO 49 1HD PRO 49 -4.010 -11.873 -11.347 320 HD3 PRO 49 2HD PRO 49 -2.299 -12.155 -10.966 321 H ALA 50 H ALA 50 -2.959 -7.391 -8.154 322 HA ALA 50 HA ALA 50 -5.374 -6.327 -9.430 323 HB1 ALA 50 1HB ALA 50 -6.608 -7.110 -7.738 324 HB2 ALA 50 2HB ALA 50 -5.194 -7.441 -6.737 325 HB3 ALA 50 3HB ALA 50 -5.876 -5.815 -6.790 326 H GLU 51 H GLU 51 -4.830 -4.353 -10.076 327 HA GLU 51 HA GLU 51 -3.259 -2.667 -8.240 328 HB2 GLU 51 1HB GLU 51 -2.553 -1.509 -10.471 329 HB3 GLU 51 2HB GLU 51 -1.741 -2.981 -9.956 330 HG2 GLU 51 1HG GLU 51 -3.306 -4.257 -11.429 331 HG3 GLU 51 2HG GLU 51 -3.884 -2.711 -12.046 332 H PHE 52 H PHE 52 -3.534 -0.280 -8.767 333 HA PHE 52 HA PHE 52 -6.219 0.343 -9.757 334 HB2 PHE 52 1HB PHE 52 -6.347 1.986 -7.741 335 HB3 PHE 52 2HB PHE 52 -6.739 0.289 -7.488 336 HD1 PHE 52 1HD PHE 52 -4.983 -1.221 -6.500 337 HD2 PHE 52 2HD PHE 52 -4.616 3.019 -6.554 338 HE1 PHE 52 1HE PHE 52 -3.288 -1.348 -4.721 339 HE2 PHE 52 2HE PHE 52 -2.919 2.899 -4.776 340 HZ PHE 52 HZ PHE 52 -2.253 0.713 -3.858 341 H THR 53 H THR 53 -6.459 2.900 -9.602 342 HA THR 53 HA THR 53 -4.013 4.010 -10.813 343 HB THR 53 HB THR 53 -6.831 5.003 -11.258 344 HG1 THR 53 1HG THR 53 -6.066 2.741 -12.057 345 HG21 THR 53 1HG2 THR 53 -4.239 5.999 -11.942 346 HG22 THR 53 2HG2 THR 53 -5.821 6.694 -12.297 347 HG23 THR 53 3HG2 THR 53 -5.090 5.545 -13.418 348 H ILE 54 H ILE 54 -3.034 5.625 -9.789 349 HA ILE 54 HA ILE 54 -4.551 7.100 -7.737 350 HB ILE 54 HB ILE 54 -1.584 6.538 -7.802 351 HG12 ILE 54 1HG1 ILE 54 -3.657 5.509 -5.859 352 HG13 ILE 54 2HG1 ILE 54 -3.104 4.594 -7.257 353 HG21 ILE 54 1HG2 ILE 54 -1.292 7.974 -6.104 354 HG22 ILE 54 2HG2 ILE 54 -2.804 8.685 -6.666 355 HG23 ILE 54 3HG2 ILE 54 -2.815 7.529 -5.334 356 HD11 ILE 54 1HD1 ILE 54 -1.457 3.795 -6.026 357 HD12 ILE 54 2HD1 ILE 54 -0.800 5.426 -5.883 358 HD13 ILE 54 3HD1 ILE 54 -1.929 4.821 -4.672 359 H ASP 55 H ASP 55 -4.632 9.265 -7.855 360 HA ASP 55 HA ASP 55 -3.266 10.544 -10.108 361 HB2 ASP 55 1HB ASP 55 -5.551 11.035 -10.224 362 HB3 ASP 55 2HB ASP 55 -5.692 11.239 -8.480 363 H THR 56 H THR 56 -1.281 11.192 -9.517 364 HA THR 56 HA THR 56 -1.077 12.920 -7.141 365 HB THR 56 HB THR 56 1.178 12.077 -6.714 366 HG1 THR 56 1HG THR 56 0.655 10.637 -9.068 367 HG21 THR 56 1HG2 THR 56 0.002 9.465 -6.727 368 HG22 THR 56 2HG2 THR 56 -1.228 10.658 -6.310 369 HG23 THR 56 3HG2 THR 56 0.259 10.558 -5.368 370 H LYS 57 H LYS 57 -1.474 13.560 -9.984 371 HA LYS 57 HA LYS 57 1.045 14.614 -10.922 372 HB2 LYS 57 1HB LYS 57 -0.286 15.508 -12.791 373 HB3 LYS 57 2HB LYS 57 -0.577 13.792 -12.540 374 HG2 LYS 57 1HG LYS 57 -2.628 14.436 -11.241 375 HG3 LYS 57 2HG LYS 57 -2.368 16.089 -11.801 376 HD2 LYS 57 1HD LYS 57 -3.954 15.015 -13.257 377 HD3 LYS 57 2HD LYS 57 -2.444 15.253 -14.139 378 HE2 LYS 57 1HE LYS 57 -1.845 12.954 -13.866 379 HE3 LYS 57 2HE LYS 57 -3.190 12.680 -12.759 380 HZ1 LYS 57 1HZ LYS 57 -3.157 12.496 -15.570 381 HZ2 LYS 57 2HZ LYS 57 -4.264 13.691 -15.112 382 HZ3 LYS 57 3HZ LYS 57 -4.413 12.121 -14.500 383 H GLY 58 H GLY 58 -2.032 15.976 -9.755 384 HA2 GLY 58 1HA GLY 58 -0.771 18.616 -9.578 385 HA3 GLY 58 2HA GLY 58 -2.490 18.280 -9.433 386 H ALA 59 H ALA 59 -0.226 16.316 -7.698 387 HA ALA 59 HA ALA 59 -1.263 17.405 -5.188 388 HB1 ALA 59 1HB ALA 59 0.478 15.128 -4.874 389 HB2 ALA 59 2HB ALA 59 -1.221 15.314 -4.437 390 HB3 ALA 59 3HB ALA 59 -0.781 14.806 -6.067 391 H GLY 60 H GLY 60 1.816 16.658 -6.789 392 HA2 GLY 60 1HA GLY 60 3.418 18.634 -6.361 393 HA3 GLY 60 2HA GLY 60 3.220 18.158 -4.681 394 H THR 61 H THR 61 5.194 17.410 -4.158 395 HA THR 61 HA THR 61 6.053 14.930 -5.389 396 HB THR 61 HB THR 61 7.959 17.275 -5.292 397 HG1 THR 61 1HG THR 61 7.816 16.979 -7.657 398 HG21 THR 61 1HG2 THR 61 8.507 14.577 -5.223 399 HG22 THR 61 2HG2 THR 61 9.615 15.839 -5.763 400 HG23 THR 61 3HG2 THR 61 8.634 14.963 -6.939 401 H GLY 62 H GLY 62 6.268 13.661 -3.665 402 HA2 GLY 62 1HA GLY 62 8.118 14.395 -1.568 403 HA3 GLY 62 2HA GLY 62 6.447 14.269 -1.038 404 H GLY 63 H GLY 63 6.754 12.504 0.292 405 HA2 GLY 63 1HA GLY 63 7.552 10.011 -1.081 406 HA3 GLY 63 2HA GLY 63 7.855 10.323 0.622 407 H LEU 64 H LEU 64 5.870 8.755 -1.513 408 HA LEU 64 HA LEU 64 3.511 8.866 0.214 409 HB2 LEU 64 1HB LEU 64 3.196 9.126 -2.203 410 HB3 LEU 64 2HB LEU 64 3.914 7.538 -2.463 411 HG LEU 64 HG LEU 64 1.927 6.789 -0.874 412 HD11 LEU 64 1HD1 LEU 64 0.830 9.249 -2.229 413 HD12 LEU 64 2HD1 LEU 64 1.132 9.082 -0.500 414 HD13 LEU 64 3HD1 LEU 64 -0.085 8.075 -1.283 415 HD21 LEU 64 1HD2 LEU 64 2.169 5.823 -3.003 416 HD22 LEU 64 2HD2 LEU 64 1.859 7.353 -3.826 417 HD23 LEU 64 3HD2 LEU 64 0.547 6.516 -2.994 418 H GLY 65 H GLY 65 2.985 7.277 1.580 419 HA2 GLY 65 1HA GLY 65 4.629 4.832 1.512 420 HA3 GLY 65 2HA GLY 65 3.857 5.489 2.947 421 H LEU 66 H LEU 66 3.726 2.979 0.933 422 HA LEU 66 HA LEU 66 0.803 2.708 1.193 423 HB2 LEU 66 1HB LEU 66 1.850 2.897 -1.158 424 HB3 LEU 66 2HB LEU 66 2.418 1.253 -0.870 425 HG LEU 66 HG LEU 66 -0.067 0.715 -0.418 426 HD11 LEU 66 1HD1 LEU 66 -1.263 2.640 -0.355 427 HD12 LEU 66 2HD1 LEU 66 -1.379 2.322 -2.086 428 HD13 LEU 66 3HD1 LEU 66 -0.192 3.477 -1.479 429 HD21 LEU 66 1HD2 LEU 66 0.411 -0.358 -2.309 430 HD22 LEU 66 2HD2 LEU 66 1.482 0.931 -2.859 431 HD23 LEU 66 3HD2 LEU 66 -0.253 1.037 -3.161 432 H THR 67 H THR 67 0.243 1.226 2.630 433 HA THR 67 HA THR 67 1.878 -1.204 2.879 434 HB THR 67 HB THR 67 1.285 -1.121 5.384 435 HG1 THR 67 1HG THR 67 1.207 1.676 4.944 436 HG21 THR 67 1HG2 THR 67 3.523 -0.480 4.056 437 HG22 THR 67 2HG2 THR 67 3.384 -0.359 5.810 438 HG23 THR 67 3HG2 THR 67 3.183 1.078 4.807 439 H VAL 68 H VAL 68 0.751 -3.067 3.021 440 HA VAL 68 HA VAL 68 -2.152 -2.889 2.803 441 HB VAL 68 HB VAL 68 -0.262 -5.210 2.405 442 HG11 VAL 68 1HG1 VAL 68 -1.976 -6.618 2.494 443 HG12 VAL 68 2HG1 VAL 68 -2.996 -5.293 3.059 444 HG13 VAL 68 3HG1 VAL 68 -2.883 -5.647 1.334 445 HG21 VAL 68 1HG2 VAL 68 -0.719 -3.124 0.740 446 HG22 VAL 68 2HG2 VAL 68 -0.277 -4.744 0.202 447 HG23 VAL 68 3HG2 VAL 68 -1.970 -4.251 0.212 448 H GLU 69 H GLU 69 -3.183 -2.806 4.700 449 HA GLU 69 HA GLU 69 -2.187 -4.356 6.966 450 HB2 GLU 69 1HB GLU 69 -4.272 -2.198 6.696 451 HB3 GLU 69 2HB GLU 69 -4.085 -3.135 8.171 452 HG2 GLU 69 1HG GLU 69 -1.842 -1.581 6.916 453 HG3 GLU 69 2HG GLU 69 -2.927 -0.911 8.133 454 H GLY 70 H GLY 70 -2.770 -6.388 5.857 455 HA2 GLY 70 1HA GLY 70 -5.649 -6.981 6.171 456 HA3 GLY 70 2HA GLY 70 -4.645 -7.716 4.931 457 HA PRO 71 HA PRO 71 -4.886 -10.541 8.639 458 HB2 PRO 71 1HB PRO 71 -5.701 -12.726 7.250 459 HB3 PRO 71 2HB PRO 71 -6.826 -11.537 7.916 460 HG2 PRO 71 1HG PRO 71 -5.796 -11.811 5.118 461 HG3 PRO 71 2HG PRO 71 -7.445 -11.471 5.675 462 HD2 PRO 71 1HD PRO 71 -5.784 -9.534 4.769 463 HD3 PRO 71 2HD PRO 71 -6.999 -9.237 6.030 464 H CYS 72 H CYS 72 -3.276 -10.392 5.635 465 HA CYS 72 HA CYS 72 -1.107 -12.025 6.691 466 HB2 CYS 72 1HB CYS 72 -2.776 -13.343 5.123 467 HB3 CYS 72 2HB CYS 72 -1.886 -12.521 3.847 468 HG CYS 72 HG CYS 72 -1.081 -15.228 5.488 469 H GLU 73 H GLU 73 0.819 -11.926 5.102 470 HA GLU 73 HA GLU 73 1.184 -9.116 4.422 471 HB2 GLU 73 1HB GLU 73 2.921 -10.094 5.771 472 HB3 GLU 73 2HB GLU 73 3.121 -11.423 4.637 473 HG2 GLU 73 1HG GLU 73 4.005 -9.930 2.969 474 HG3 GLU 73 2HG GLU 73 3.693 -8.538 4.004 475 H ALA 74 H ALA 74 0.136 -8.829 2.485 476 HA ALA 74 HA ALA 74 0.699 -10.608 0.257 477 HB1 ALA 74 1HB ALA 74 -0.853 -8.122 -0.159 478 HB2 ALA 74 2HB ALA 74 -1.148 -9.758 -0.749 479 HB3 ALA 74 3HB ALA 74 -1.551 -9.335 0.915 480 H LYS 75 H LYS 75 2.110 -10.217 -1.335 481 HA LYS 75 HA LYS 75 4.071 -8.235 -1.121 482 HB2 LYS 75 1HB LYS 75 3.966 -10.489 -2.494 483 HB3 LYS 75 2HB LYS 75 3.424 -9.425 -3.786 484 HG2 LYS 75 1HG LYS 75 5.445 -8.213 -3.772 485 HG3 LYS 75 2HG LYS 75 5.949 -8.926 -2.238 486 HD2 LYS 75 1HD LYS 75 5.479 -10.613 -4.677 487 HD3 LYS 75 2HD LYS 75 7.027 -9.815 -4.391 488 HE2 LYS 75 1HE LYS 75 7.475 -11.084 -2.504 489 HE3 LYS 75 2HE LYS 75 5.777 -11.482 -2.245 490 HZ1 LYS 75 1HZ LYS 75 5.904 -12.835 -4.310 491 HZ2 LYS 75 2HZ LYS 75 6.872 -13.414 -3.050 492 HZ3 LYS 75 3HZ LYS 75 7.575 -12.573 -4.338 493 H ILE 76 H ILE 76 4.473 -6.351 -2.314 494 HA ILE 76 HA ILE 76 2.196 -5.262 -3.821 495 HB ILE 76 HB ILE 76 3.826 -3.615 -1.891 496 HG12 ILE 76 1HG1 ILE 76 0.976 -4.412 -1.400 497 HG13 ILE 76 2HG1 ILE 76 2.281 -5.493 -0.925 498 HG21 ILE 76 1HG2 ILE 76 2.853 -1.890 -2.888 499 HG22 ILE 76 2HG2 ILE 76 1.999 -2.981 -3.978 500 HG23 ILE 76 3HG2 ILE 76 1.273 -2.528 -2.436 501 HD11 ILE 76 1HD1 ILE 76 1.792 -2.689 0.038 502 HD12 ILE 76 2HD1 ILE 76 1.670 -4.185 0.963 503 HD13 ILE 76 3HD1 ILE 76 3.244 -3.621 0.403 504 H GLU 77 H GLU 77 2.789 -4.635 -5.781 505 HA GLU 77 HA GLU 77 5.621 -3.991 -6.254 506 HB2 GLU 77 1HB GLU 77 3.507 -5.277 -7.924 507 HB3 GLU 77 2HB GLU 77 4.769 -4.359 -8.732 508 HG2 GLU 77 1HG GLU 77 5.222 -6.792 -8.557 509 HG3 GLU 77 2HG GLU 77 6.470 -5.769 -7.847 510 H CYS 78 H CYS 78 5.801 -1.833 -5.999 511 HA CYS 78 HA CYS 78 3.779 -0.060 -7.117 512 HB2 CYS 78 1HB CYS 78 4.918 1.716 -5.939 513 HB3 CYS 78 2HB CYS 78 4.709 0.354 -4.845 514 HG CYS 78 HG CYS 78 7.642 0.572 -6.519 515 H SER 79 H SER 79 3.971 0.926 -9.017 516 HA SER 79 HA SER 79 6.636 1.285 -10.186 517 HB2 SER 79 1HB SER 79 5.444 -0.810 -11.069 518 HB3 SER 79 2HB SER 79 4.326 0.303 -11.857 519 HG SER 79 HG SER 79 6.173 1.242 -12.891 520 H ASP 80 H ASP 80 6.829 3.022 -11.617 521 HA ASP 80 HA ASP 80 4.694 5.010 -11.359 522 HB2 ASP 80 1HB ASP 80 7.582 5.302 -12.214 523 HB3 ASP 80 2HB ASP 80 6.428 6.629 -12.105 524 H ASN 81 H ASN 81 4.049 6.284 -13.189 525 HA ASN 81 HA ASN 81 4.149 4.743 -15.688 526 HB2 ASN 81 1HB ASN 81 2.196 6.876 -14.795 527 HB3 ASN 81 2HB ASN 81 2.122 6.005 -16.323 528 HD21 ASN 81 1HD2 ASN 81 0.743 6.171 -13.429 529 HD22 ASN 81 2HD2 ASN 81 0.260 4.527 -13.205 530 H GLY 82 H GLY 82 4.325 8.080 -14.466 531 HA2 GLY 82 1HA GLY 82 6.132 9.505 -15.250 532 HA3 GLY 82 2HA GLY 82 5.980 8.733 -16.821 533 H ASP 83 H ASP 83 2.904 9.061 -15.902 534 HA ASP 83 HA ASP 83 2.637 11.624 -17.308 535 HB2 ASP 83 1HB ASP 83 0.456 9.608 -16.762 536 HB3 ASP 83 2HB ASP 83 0.418 10.950 -17.903 537 H GLY 84 H GLY 84 2.843 10.611 -14.239 538 HA2 GLY 84 1HA GLY 84 2.501 12.204 -12.462 539 HA3 GLY 84 2HA GLY 84 1.059 12.760 -13.299 540 H THR 85 H THR 85 1.339 9.400 -13.359 541 HA THR 85 HA THR 85 -0.435 9.148 -11.018 542 HB THR 85 HB THR 85 -1.647 7.360 -12.177 543 HG1 THR 85 1HG THR 85 -1.207 6.969 -14.379 544 HG21 THR 85 1HG2 THR 85 -2.299 9.807 -12.381 545 HG22 THR 85 2HG2 THR 85 -2.940 8.724 -13.616 546 HG23 THR 85 3HG2 THR 85 -1.567 9.767 -13.984 547 H CYS 86 H CYS 86 -0.653 6.631 -10.526 548 HA CYS 86 HA CYS 86 1.909 5.270 -10.792 549 HB2 CYS 86 1HB CYS 86 0.684 6.015 -8.131 550 HB3 CYS 86 2HB CYS 86 1.965 4.824 -8.320 551 HG CYS 86 HG CYS 86 2.684 7.766 -9.728 552 H SER 87 H SER 87 1.713 3.100 -10.894 553 HA SER 87 HA SER 87 -0.953 1.968 -10.345 554 HB2 SER 87 1HB SER 87 0.942 1.572 -12.617 555 HB3 SER 87 2HB SER 87 -0.033 0.196 -12.102 556 HG SER 87 HG SER 87 -1.297 2.663 -12.479 557 H VAL 88 H VAL 88 -0.767 0.981 -8.424 558 HA VAL 88 HA VAL 88 1.604 -0.677 -7.909 559 HB VAL 88 HB VAL 88 -0.501 0.205 -5.931 560 HG11 VAL 88 1HG1 VAL 88 0.456 -1.535 -4.839 561 HG12 VAL 88 2HG1 VAL 88 1.948 -1.448 -5.778 562 HG13 VAL 88 3HG1 VAL 88 1.668 -0.313 -4.456 563 HG21 VAL 88 1HG2 VAL 88 2.206 1.358 -5.801 564 HG22 VAL 88 2HG2 VAL 88 1.211 1.897 -7.154 565 HG23 VAL 88 3HG2 VAL 88 0.637 2.105 -5.499 566 H SER 89 H SER 89 1.392 -2.766 -8.323 567 HA SER 89 HA SER 89 -1.275 -3.988 -8.184 568 HB2 SER 89 1HB SER 89 -0.222 -5.842 -9.505 569 HB3 SER 89 2HB SER 89 -0.214 -4.284 -10.331 570 HG SER 89 HG SER 89 1.906 -5.745 -9.249 571 H TYR 90 H TYR 90 -1.767 -5.335 -6.588 572 HA TYR 90 HA TYR 90 0.436 -6.465 -4.987 573 HB2 TYR 90 1HB TYR 90 -0.975 -6.341 -3.039 574 HB3 TYR 90 2HB TYR 90 -0.961 -4.759 -3.810 575 HD1 TYR 90 1HD TYR 90 -2.948 -3.964 -5.042 576 HD2 TYR 90 2HD TYR 90 -2.989 -7.627 -2.878 577 HE1 TYR 90 1HE TYR 90 -5.407 -3.975 -5.118 578 HE2 TYR 90 2HE TYR 90 -5.447 -7.649 -2.949 579 HH TYR 90 HH TYR 90 -7.284 -4.963 -3.809 580 H LEU 91 H LEU 91 0.184 -8.581 -4.166 581 HA LEU 91 HA LEU 91 -1.891 -10.180 -5.515 582 HB2 LEU 91 1HB LEU 91 1.040 -10.562 -5.323 583 HB3 LEU 91 2HB LEU 91 0.034 -12.003 -5.189 584 HG LEU 91 HG LEU 91 -0.384 -10.152 -7.492 585 HD11 LEU 91 1HD1 LEU 91 2.135 -11.196 -6.925 586 HD12 LEU 91 2HD1 LEU 91 1.570 -10.550 -8.465 587 HD13 LEU 91 3HD1 LEU 91 1.450 -12.279 -8.136 588 HD21 LEU 91 1HD2 LEU 91 -0.374 -13.122 -7.629 589 HD22 LEU 91 2HD2 LEU 91 -1.385 -11.953 -8.477 590 HD23 LEU 91 3HD2 LEU 91 -1.702 -12.328 -6.783 591 HA PRO 92 HA PRO 92 -2.701 -10.975 -1.143 592 HB2 PRO 92 1HB PRO 92 -5.173 -12.013 -1.572 593 HB3 PRO 92 2HB PRO 92 -4.856 -10.274 -1.523 594 HG2 PRO 92 1HG PRO 92 -5.165 -12.077 -3.892 595 HG3 PRO 92 2HG PRO 92 -5.822 -10.451 -3.631 596 HD2 PRO 92 1HD PRO 92 -3.619 -10.908 -5.137 597 HD3 PRO 92 2HD PRO 92 -3.836 -9.423 -4.189 598 H THR 93 H THR 93 -3.429 -12.973 0.022 599 HA THR 93 HA THR 93 -2.453 -15.374 -1.381 600 HB THR 93 HB THR 93 -1.708 -16.256 0.739 601 HG1 THR 93 1HG THR 93 -1.907 -14.875 2.633 602 HG21 THR 93 1HG2 THR 93 -0.335 -13.973 1.414 603 HG22 THR 93 2HG2 THR 93 -0.767 -13.681 -0.271 604 HG23 THR 93 3HG2 THR 93 0.144 -15.126 0.170 605 H LYS 94 H LYS 94 -4.764 -14.219 1.052 606 HA LYS 94 HA LYS 94 -6.520 -16.464 0.321 607 HB2 LYS 94 1HB LYS 94 -7.040 -16.963 2.531 608 HB3 LYS 94 2HB LYS 94 -5.315 -16.627 2.615 609 HG2 LYS 94 1HG LYS 94 -5.935 -14.271 3.280 610 HG3 LYS 94 2HG LYS 94 -7.590 -14.858 3.463 611 HD2 LYS 94 1HD LYS 94 -6.441 -16.700 4.936 612 HD3 LYS 94 2HD LYS 94 -5.154 -15.499 5.065 613 HE2 LYS 94 1HE LYS 94 -6.761 -13.864 5.907 614 HE3 LYS 94 2HE LYS 94 -8.057 -15.049 5.756 615 HZ1 LYS 94 1HZ LYS 94 -7.545 -15.854 7.738 616 HZ2 LYS 94 2HZ LYS 94 -6.380 -14.643 7.928 617 HZ3 LYS 94 3HZ LYS 94 -5.945 -16.140 7.271 618 HA PRO 95 HA PRO 95 -9.646 -13.441 -0.302 619 HB2 PRO 95 1HB PRO 95 -11.867 -14.893 0.271 620 HB3 PRO 95 2HB PRO 95 -10.918 -15.129 -1.202 621 HG2 PRO 95 1HG PRO 95 -10.878 -16.697 1.348 622 HG3 PRO 95 2HG PRO 95 -10.848 -17.282 -0.325 623 HD2 PRO 95 1HD PRO 95 -8.616 -17.113 1.199 624 HD3 PRO 95 2HD PRO 95 -8.591 -16.875 -0.560 625 H GLY 96 H GLY 96 -9.680 -11.798 1.136 626 HA2 GLY 96 1HA GLY 96 -11.385 -12.066 3.467 627 HA3 GLY 96 2HA GLY 96 -9.697 -11.731 3.821 628 H GLU 97 H GLU 97 -9.179 -9.665 4.041 629 HA GLU 97 HA GLU 97 -10.434 -7.647 2.370 630 HB2 GLU 97 1HB GLU 97 -10.607 -7.553 5.387 631 HB3 GLU 97 2HB GLU 97 -11.046 -6.235 4.309 632 HG2 GLU 97 1HG GLU 97 -13.099 -7.130 4.661 633 HG3 GLU 97 2HG GLU 97 -12.611 -8.078 3.257 634 H TYR 98 H TYR 98 -8.809 -6.487 1.604 635 HA TYR 98 HA TYR 98 -6.428 -6.097 3.289 636 HB2 TYR 98 1HB TYR 98 -6.683 -5.918 0.279 637 HB3 TYR 98 2HB TYR 98 -5.197 -5.711 1.199 638 HD1 TYR 98 1HD TYR 98 -7.684 -8.128 0.002 639 HD2 TYR 98 2HD TYR 98 -4.040 -7.618 2.139 640 HE1 TYR 98 1HE TYR 98 -7.265 -10.547 -0.147 641 HE2 TYR 98 2HE TYR 98 -3.610 -10.035 1.995 642 HH TYR 98 HH TYR 98 -5.091 -12.154 1.718 643 H PHE 99 H PHE 99 -6.116 -4.145 4.105 644 HA PHE 99 HA PHE 99 -7.559 -1.873 2.941 645 HB2 PHE 99 1HB PHE 99 -6.347 -2.353 5.659 646 HB3 PHE 99 2HB PHE 99 -6.868 -0.755 5.138 647 HD1 PHE 99 2HD PHE 99 -8.091 -4.237 5.569 648 HD2 PHE 99 1HD PHE 99 -9.071 -0.098 5.424 649 HE1 PHE 99 2HE PHE 99 -10.387 -4.760 6.281 650 HE2 PHE 99 1HE PHE 99 -11.369 -0.614 6.137 651 HZ PHE 99 HZ PHE 99 -12.030 -2.948 6.565 652 H VAL 100 H VAL 100 -6.403 -0.835 1.449 653 HA VAL 100 HA VAL 100 -3.527 -0.740 1.528 654 HB VAL 100 HB VAL 100 -5.441 0.698 -0.315 655 HG11 VAL 100 1HG1 VAL 100 -3.004 1.524 -0.016 656 HG12 VAL 100 2HG1 VAL 100 -2.579 0.073 -0.927 657 HG13 VAL 100 3HG1 VAL 100 -3.637 1.289 -1.645 658 HG21 VAL 100 1HG2 VAL 100 -3.852 -1.654 -1.180 659 HG22 VAL 100 2HG2 VAL 100 -5.267 -1.948 -0.170 660 HG23 VAL 100 3HG2 VAL 100 -5.442 -1.105 -1.710 661 H ASN 101 H ASN 101 -2.643 0.513 3.062 662 HA ASN 101 HA ASN 101 -3.846 2.999 3.883 663 HB2 ASN 101 1HB ASN 101 -1.220 1.692 4.624 664 HB3 ASN 101 2HB ASN 101 -1.828 3.177 5.349 665 HD21 ASN 101 1HD2 ASN 101 -2.630 -0.215 4.801 666 HD22 ASN 101 2HD2 ASN 101 -3.552 -0.416 6.249 667 H ILE 102 H ILE 102 -3.741 4.667 2.517 668 HA ILE 102 HA ILE 102 -1.209 5.168 1.102 669 HB ILE 102 HB ILE 102 -3.935 6.298 0.461 670 HG12 ILE 102 1HG1 ILE 102 -2.453 4.183 -1.096 671 HG13 ILE 102 2HG1 ILE 102 -3.615 3.775 0.161 672 HG21 ILE 102 1HG2 ILE 102 -2.733 6.754 -1.755 673 HG22 ILE 102 2HG2 ILE 102 -2.352 7.792 -0.382 674 HG23 ILE 102 3HG2 ILE 102 -1.244 6.501 -0.845 675 HD11 ILE 102 1HD1 ILE 102 -4.927 5.609 -1.470 676 HD12 ILE 102 2HD1 ILE 102 -4.064 4.533 -2.570 677 HD13 ILE 102 3HD1 ILE 102 -5.189 3.867 -1.387 678 H LEU 103 H LEU 103 0.028 6.602 2.112 679 HA LEU 103 HA LEU 103 -1.227 9.051 3.142 680 HB2 LEU 103 1HB LEU 103 0.784 8.867 4.862 681 HB3 LEU 103 2HB LEU 103 -0.800 8.162 5.178 682 HG LEU 103 HG LEU 103 0.309 6.033 4.078 683 HD11 LEU 103 1HD1 LEU 103 2.642 7.672 5.031 684 HD12 LEU 103 2HD1 LEU 103 2.405 6.924 3.453 685 HD13 LEU 103 3HD1 LEU 103 2.702 5.917 4.870 686 HD21 LEU 103 1HD2 LEU 103 0.115 7.066 6.796 687 HD22 LEU 103 2HD2 LEU 103 1.368 5.839 6.605 688 HD23 LEU 103 3HD2 LEU 103 -0.299 5.476 6.154 689 H PHE 104 H PHE 104 -0.254 10.888 2.534 690 HA PHE 104 HA PHE 104 2.261 10.653 1.034 691 HB2 PHE 104 1HB PHE 104 0.025 11.694 0.099 692 HB3 PHE 104 2HB PHE 104 0.571 13.120 0.975 693 HD1 PHE 104 1HD PHE 104 2.373 10.555 -1.046 694 HD2 PHE 104 2HD PHE 104 1.386 14.661 -0.517 695 HE1 PHE 104 1HE PHE 104 3.837 11.147 -2.933 696 HE2 PHE 104 2HE PHE 104 2.847 15.260 -2.404 697 HZ PHE 104 HZ PHE 104 4.074 13.501 -3.615 698 H GLU 105 H GLU 105 4.001 11.112 2.205 699 HA GLU 105 HA GLU 105 5.442 12.151 3.625 700 HB2 GLU 105 1HB GLU 105 3.566 14.459 3.100 701 HB3 GLU 105 2HB GLU 105 5.069 14.612 3.999 702 HG2 GLU 105 1HG GLU 105 6.052 13.476 1.818 703 HG3 GLU 105 2HG GLU 105 4.621 14.215 1.099 704 H GLU 106 H GLU 106 3.648 10.529 4.871 705 HA GLU 106 HA GLU 106 2.915 10.003 6.962 706 HB2 GLU 106 1HB GLU 106 3.831 12.709 7.911 707 HB3 GLU 106 2HB GLU 106 3.690 11.220 8.835 708 HG2 GLU 106 1HG GLU 106 5.508 10.301 7.300 709 HG3 GLU 106 2HG GLU 106 5.768 11.975 6.814 710 H VAL 107 H VAL 107 1.264 11.418 5.011 711 HA VAL 107 HA VAL 107 -0.748 12.486 6.873 712 HB VAL 107 HB VAL 107 -0.382 13.584 4.093 713 HG11 VAL 107 1HG1 VAL 107 -2.139 14.889 4.543 714 HG12 VAL 107 2HG1 VAL 107 -2.462 13.782 5.879 715 HG13 VAL 107 3HG1 VAL 107 -1.554 15.267 6.162 716 HG21 VAL 107 1HG2 VAL 107 1.627 13.922 5.644 717 HG22 VAL 107 2HG2 VAL 107 0.925 15.355 4.894 718 HG23 VAL 107 3HG2 VAL 107 0.565 14.976 6.579 719 H HIS 108 H HIS 108 -2.316 11.011 6.885 720 HA HIS 108 HA HIS 108 -2.835 9.163 4.833 721 HB2 HIS 108 1HB HIS 108 -4.208 10.014 7.328 722 HB3 HIS 108 2HB HIS 108 -5.177 9.149 6.139 723 HD1 HIS 108 1HD HIS 108 -5.047 6.673 6.235 724 HD2 HIS 108 2HD HIS 108 -1.805 8.477 8.106 725 HE1 HIS 108 1HE HIS 108 -3.744 4.795 7.282 726 HE2 HIS 108 2HE HIS 108 -1.834 5.918 8.480 727 H ILE 109 H ILE 109 -3.735 9.462 2.914 728 HA ILE 109 HA ILE 109 -4.906 11.915 2.124 729 HB ILE 109 HB ILE 109 -5.358 10.871 0.004 730 HG12 ILE 109 1HG1 ILE 109 -4.487 8.199 1.061 731 HG13 ILE 109 2HG1 ILE 109 -6.168 8.701 1.204 732 HG21 ILE 109 1HG2 ILE 109 -2.983 11.399 0.721 733 HG22 ILE 109 2HG2 ILE 109 -2.780 9.666 0.969 734 HG23 ILE 109 3HG2 ILE 109 -3.167 10.287 -0.635 735 HD11 ILE 109 1HD1 ILE 109 -4.641 8.557 -1.383 736 HD12 ILE 109 2HD1 ILE 109 -5.725 7.305 -0.775 737 HD13 ILE 109 3HD1 ILE 109 -6.359 8.899 -1.182 738 HA PRO 110 HA PRO 110 -9.133 11.431 3.221 739 HB2 PRO 110 1HB PRO 110 -10.330 12.818 1.218 740 HB3 PRO 110 2HB PRO 110 -9.428 13.600 2.522 741 HG2 PRO 110 1HG PRO 110 -8.552 12.958 -0.268 742 HG3 PRO 110 2HG PRO 110 -8.280 14.432 0.678 743 HD2 PRO 110 1HD PRO 110 -6.385 12.521 0.382 744 HD3 PRO 110 2HD PRO 110 -6.526 13.506 1.852 745 H GLY 111 H GLY 111 -9.072 9.091 2.777 746 HA2 GLY 111 1HA GLY 111 -11.157 8.042 1.480 747 HA3 GLY 111 2HA GLY 111 -10.013 8.234 0.160 748 H SER 112 H SER 112 -7.921 7.736 2.449 749 HA SER 112 HA SER 112 -7.979 4.817 2.120 750 HB2 SER 112 1HB SER 112 -5.683 4.822 2.056 751 HB3 SER 112 2HB SER 112 -5.980 6.449 1.443 752 HG SER 112 HG SER 112 -5.389 5.738 4.128 753 HA PRO 113 HA PRO 113 -6.386 3.268 3.038 754 HB2 PRO 113 1HB PRO 113 -7.295 0.957 4.136 755 HB3 PRO 113 2HB PRO 113 -5.879 1.820 4.748 756 HG2 PRO 113 1HG PRO 113 -8.693 1.833 5.769 757 HG3 PRO 113 2HG PRO 113 -7.173 1.743 6.678 758 HD2 PRO 113 1HD PRO 113 -8.578 4.042 6.413 759 HD3 PRO 113 2HD PRO 113 -6.807 4.014 6.536 760 H PHE 114 H PHE 114 -7.296 1.444 1.684 761 HA PHE 114 HA PHE 114 -10.134 1.963 1.083 762 HB2 PHE 114 1HB PHE 114 -7.799 1.460 -0.750 763 HB3 PHE 114 2HB PHE 114 -9.459 1.211 -1.283 764 HD1 PHE 114 1HD PHE 114 -7.138 3.753 0.089 765 HD2 PHE 114 2HD PHE 114 -10.764 3.005 -2.011 766 HE1 PHE 114 1HE PHE 114 -7.319 6.148 -0.445 767 HE2 PHE 114 2HE PHE 114 -10.951 5.398 -2.549 768 HZ PHE 114 HZ PHE 114 -9.227 6.973 -1.766 769 H LYS 115 H LYS 115 -11.045 0.285 2.198 770 HA LYS 115 HA LYS 115 -10.057 -2.331 2.354 771 HB2 LYS 115 1HB LYS 115 -11.737 -1.564 3.903 772 HB3 LYS 115 2HB LYS 115 -12.876 -1.273 2.595 773 HG2 LYS 115 1HG LYS 115 -11.815 -4.025 2.949 774 HG3 LYS 115 2HG LYS 115 -13.016 -3.429 4.097 775 HD2 LYS 115 1HD LYS 115 -13.304 -3.581 1.097 776 HD3 LYS 115 2HD LYS 115 -14.125 -4.592 2.289 777 HE2 LYS 115 1HE LYS 115 -15.780 -3.080 1.986 778 HE3 LYS 115 2HE LYS 115 -14.856 -2.176 3.184 779 HZ1 LYS 115 1HZ LYS 115 -15.301 -1.606 0.398 780 HZ2 LYS 115 2HZ LYS 115 -13.681 -1.460 0.862 781 HZ3 LYS 115 3HZ LYS 115 -14.874 -0.564 1.661 782 H ALA 116 H ALA 116 -9.838 -3.818 0.830 783 HA ALA 116 HA ALA 116 -11.645 -3.724 -1.498 784 HB1 ALA 116 1HB ALA 116 -9.655 -5.058 -2.561 785 HB2 ALA 116 2HB ALA 116 -9.602 -3.298 -2.453 786 HB3 ALA 116 3HB ALA 116 -8.725 -4.280 -1.279 787 H ASP 117 H ASP 117 -13.025 -5.356 -1.615 788 HA ASP 117 HA ASP 117 -12.677 -7.707 0.029 789 HB2 ASP 117 1HB ASP 117 -14.869 -6.623 -1.699 790 HB3 ASP 117 2HB ASP 117 -14.901 -8.321 -1.233 791 H ILE 118 H ILE 118 -11.418 -9.311 -0.636 792 HA ILE 118 HA ILE 118 -11.136 -9.834 -3.503 793 HB ILE 118 HB ILE 118 -9.545 -10.859 -1.150 794 HG12 ILE 118 1HG1 ILE 118 -9.218 -8.463 -1.780 795 HG13 ILE 118 2HG1 ILE 118 -7.771 -9.447 -1.972 796 HG21 ILE 118 1HG2 ILE 118 -8.642 -12.422 -2.445 797 HG22 ILE 118 2HG2 ILE 118 -9.882 -12.061 -3.645 798 HG23 ILE 118 3HG2 ILE 118 -8.317 -11.252 -3.724 799 HD11 ILE 118 1HD1 ILE 118 -9.051 -7.807 -3.878 800 HD12 ILE 118 2HD1 ILE 118 -7.610 -8.806 -4.077 801 HD13 ILE 118 3HD1 ILE 118 -9.204 -9.477 -4.422 802 H GLU 119 H GLU 119 -12.051 -11.533 -4.459 803 HA GLU 119 HA GLU 119 -13.341 -13.550 -2.752 804 HB2 GLU 119 1HB GLU 119 -13.936 -12.695 -5.588 805 HB3 GLU 119 2HB GLU 119 -14.731 -14.035 -4.775 806 HG2 GLU 119 1HG GLU 119 -15.682 -12.551 -3.143 807 HG3 GLU 119 2HG GLU 119 -14.780 -11.189 -3.804 808 H MET 120 H MET 120 -13.482 -15.765 -3.725 809 HA MET 120 HA MET 120 -10.831 -16.588 -4.539 810 HB2 MET 120 1HB MET 120 -13.328 -18.066 -3.743 811 HB3 MET 120 2HB MET 120 -11.936 -18.909 -4.409 812 HG2 MET 120 1HG MET 120 -10.631 -17.652 -2.540 813 HG3 MET 120 2HG MET 120 -12.225 -17.492 -1.805 814 HE1 MET 120 1HE MET 120 -9.415 -18.737 -1.260 815 HE2 MET 120 2HE MET 120 -9.991 -19.810 0.016 816 HE3 MET 120 3HE MET 120 -9.257 -20.484 -1.440 817 HA PRO 121 HA PRO 121 -11.688 -16.806 -8.857 818 HB2 PRO 121 1HB PRO 121 -9.713 -18.525 -9.574 819 HB3 PRO 121 2HB PRO 121 -9.410 -16.836 -9.149 820 HG2 PRO 121 1HG PRO 121 -9.096 -19.297 -7.473 821 HG3 PRO 121 2HG PRO 121 -8.018 -17.896 -7.616 822 HD2 PRO 121 1HD PRO 121 -9.730 -18.210 -5.542 823 HD3 PRO 121 2HD PRO 121 -9.286 -16.614 -6.181 824 H PHE 122 H PHE 122 -12.646 -18.150 -10.378 825 HA PHE 122 HA PHE 122 -14.071 -20.394 -9.351 826 HB2 PHE 122 1HB PHE 122 -13.791 -19.440 -12.209 827 HB3 PHE 122 2HB PHE 122 -14.990 -20.587 -11.619 828 HD1 PHE 122 2HD PHE 122 -13.893 -17.072 -11.500 829 HD2 PHE 122 1HD PHE 122 -16.964 -19.856 -10.535 830 HE1 PHE 122 2HE PHE 122 -15.418 -15.209 -10.996 831 HE2 PHE 122 1HE PHE 122 -18.495 -17.997 -10.030 832 HZ PHE 122 HZ PHE 122 -17.722 -15.670 -10.259 833 H ASP 123 H ASP 123 -13.415 -22.427 -9.219 834 HA ASP 123 HA ASP 123 -10.896 -23.318 -10.037 835 HB2 ASP 123 1HB ASP 123 -11.753 -25.595 -9.530 836 HB3 ASP 123 2HB ASP 123 -12.100 -24.431 -8.253 837 HA PRO 124 HA PRO 124 -11.393 -24.183 -14.323 838 HB2 PRO 124 1HB PRO 124 -9.409 -26.012 -14.623 839 HB3 PRO 124 2HB PRO 124 -9.099 -24.284 -14.413 840 HG2 PRO 124 1HG PRO 124 -8.986 -26.488 -12.390 841 HG3 PRO 124 2HG PRO 124 -7.865 -25.136 -12.635 842 HD2 PRO 124 1HD PRO 124 -9.749 -25.133 -10.690 843 HD3 PRO 124 2HD PRO 124 -9.215 -23.649 -11.505 844 H SER 125 H SER 125 -11.092 -26.942 -12.109 845 HA SER 125 HA SER 125 -11.907 -29.008 -13.719 846 HB2 SER 125 1HB SER 125 -12.395 -30.214 -11.767 847 HB3 SER 125 2HB SER 125 -11.229 -29.010 -11.217 848 HG SER 125 HG SER 125 -12.701 -28.363 -9.883 849 H SER 126 H SER 126 -13.858 -29.912 -14.332 850 HA SER 126 HA SER 126 -16.145 -28.072 -14.242 851 HB2 SER 126 1HB SER 126 -16.989 -29.617 -16.126 852 HB3 SER 126 2HB SER 126 -15.638 -28.545 -16.492 853 HG SER 126 HG SER 126 -15.470 -31.294 -15.799 854 H GLY 127 H GLY 127 -18.314 -29.422 -14.521 855 HA2 GLY 127 1HA GLY 127 -18.713 -30.750 -12.053 856 HA3 GLY 127 2HA GLY 127 -19.875 -30.650 -13.368 857 HA PRO 128 HA PRO 128 -18.452 -35.066 -12.860 858 HB2 PRO 128 1HB PRO 128 -20.945 -36.121 -12.656 859 HB3 PRO 128 2HB PRO 128 -20.036 -35.527 -11.261 860 HG2 PRO 128 1HG PRO 128 -22.200 -34.175 -12.826 861 HG3 PRO 128 2HG PRO 128 -21.960 -34.235 -11.070 862 HD2 PRO 128 1HD PRO 128 -21.254 -32.090 -12.564 863 HD3 PRO 128 2HD PRO 128 -20.365 -32.570 -11.105 864 H SER 129 H SER 129 -20.121 -33.166 -15.045 865 HA SER 129 HA SER 129 -20.751 -33.391 -17.221 866 HB2 SER 129 1HB SER 129 -19.216 -34.442 -18.593 867 HB3 SER 129 2HB SER 129 -18.266 -34.284 -17.116 868 HG SER 129 HG SER 129 -18.898 -36.499 -18.412 869 H SER 130 H SER 130 -22.390 -34.700 -15.301 870 HA SER 130 HA SER 130 -23.188 -37.201 -16.586 871 HB2 SER 130 1HB SER 130 -24.619 -37.540 -14.639 872 HB3 SER 130 2HB SER 130 -22.982 -37.142 -14.116 873 HG SER 130 HG SER 130 -23.934 -35.640 -13.002 874 H GLY 131 H GLY 131 -25.034 -37.457 -17.727 875 HA2 GLY 131 1HA GLY 131 -26.268 -35.347 -19.003 876 HA3 GLY 131 2HA GLY 131 -26.995 -36.935 -18.805 Start of MODEL 19 1 H1 GLY 1 H GLY 1 23.730 13.822 -53.390 2 HA2 GLY 1 1HA GLY 1 26.250 14.311 -54.053 3 HA3 GLY 1 2HA GLY 1 26.012 12.778 -54.879 4 H SER 2 H SER 2 23.707 12.832 -56.074 5 HA SER 2 HA SER 2 24.033 14.785 -58.135 6 HB2 SER 2 1HB SER 2 22.120 13.687 -59.198 7 HB3 SER 2 2HB SER 2 23.267 12.484 -58.609 8 HG SER 2 HG SER 2 20.774 12.460 -58.114 9 H SER 3 H SER 3 23.276 16.784 -58.119 10 HA SER 3 HA SER 3 20.638 17.349 -57.039 11 HB2 SER 3 1HB SER 3 23.156 18.626 -55.960 12 HB3 SER 3 2HB SER 3 21.548 19.308 -55.723 13 HG SER 3 HG SER 3 21.851 18.057 -53.971 14 H GLY 4 H GLY 4 19.691 19.210 -57.886 15 HA2 GLY 4 1HA GLY 4 21.038 20.236 -60.280 16 HA3 GLY 4 2HA GLY 4 19.317 20.339 -59.940 17 H SER 5 H SER 5 19.858 22.601 -60.717 18 HA SER 5 HA SER 5 21.023 24.265 -58.609 19 HB2 SER 5 1HB SER 5 21.780 24.571 -60.969 20 HB3 SER 5 2HB SER 5 20.144 25.074 -61.391 21 HG SER 5 HG SER 5 20.632 26.979 -60.684 22 H SER 6 H SER 6 18.130 24.218 -60.691 23 HA SER 6 HA SER 6 16.621 25.419 -58.472 24 HB2 SER 6 1HB SER 6 17.239 27.075 -60.327 25 HB3 SER 6 2HB SER 6 16.123 26.171 -61.351 26 HG SER 6 HG SER 6 15.484 28.103 -59.777 27 H GLY 7 H GLY 7 14.220 25.178 -58.787 28 HA2 GLY 7 1HA GLY 7 12.588 23.857 -60.229 29 HA3 GLY 7 2HA GLY 7 13.683 22.514 -59.936 30 H ASP 8 H ASP 8 11.784 24.948 -58.166 31 HA ASP 8 HA ASP 8 10.417 23.025 -56.618 32 HB2 ASP 8 1HB ASP 8 11.449 23.741 -54.386 33 HB3 ASP 8 2HB ASP 8 12.385 22.628 -55.380 34 H VAL 9 H VAL 9 8.596 23.922 -55.866 35 HA VAL 9 HA VAL 9 7.939 26.591 -56.442 36 HB VAL 9 HB VAL 9 5.887 26.207 -55.154 37 HG11 VAL 9 1HG1 VAL 9 5.597 23.726 -56.347 38 HG12 VAL 9 2HG1 VAL 9 5.288 25.293 -57.098 39 HG13 VAL 9 3HG1 VAL 9 6.857 24.512 -57.298 40 HG21 VAL 9 1HG2 VAL 9 7.456 23.897 -54.120 41 HG22 VAL 9 2HG2 VAL 9 6.379 25.002 -53.266 42 HG23 VAL 9 3HG2 VAL 9 5.708 23.729 -54.285 43 H THR 10 H THR 10 8.055 28.436 -55.303 44 HA THR 10 HA THR 10 9.522 28.397 -52.798 45 HB THR 10 HB THR 10 8.527 30.738 -54.436 46 HG1 THR 10 1HG THR 10 10.145 29.890 -55.606 47 HG21 THR 10 1HG2 THR 10 10.487 31.798 -53.001 48 HG22 THR 10 2HG2 THR 10 10.016 30.531 -51.867 49 HG23 THR 10 3HG2 THR 10 8.833 31.727 -52.394 50 H TYR 11 H TYR 11 8.781 29.190 -50.840 51 HA TYR 11 HA TYR 11 6.077 30.183 -50.589 52 HB2 TYR 11 1HB TYR 11 5.556 28.386 -48.839 53 HB3 TYR 11 2HB TYR 11 5.478 27.903 -50.530 54 HD1 TYR 11 2HD TYR 11 7.509 26.703 -51.517 55 HD2 TYR 11 1HD TYR 11 6.932 27.235 -47.335 56 HE1 TYR 11 2HE TYR 11 9.091 24.873 -51.072 57 HE2 TYR 11 1HE TYR 11 8.513 25.407 -46.878 58 HH TYR 11 HH TYR 11 10.548 24.354 -48.231 59 H ASP 12 H ASP 12 5.571 30.379 -48.105 60 HA ASP 12 HA ASP 12 7.712 30.626 -46.284 61 HB2 ASP 12 1HB ASP 12 7.680 33.153 -46.134 62 HB3 ASP 12 2HB ASP 12 8.482 32.488 -47.554 63 H GLY 13 H GLY 13 7.032 31.279 -44.207 64 HA2 GLY 13 1HA GLY 13 5.340 32.276 -42.774 65 HA3 GLY 13 2HA GLY 13 4.133 31.764 -43.944 66 H HIS 14 H HIS 14 5.473 31.082 -41.000 67 HA HIS 14 HA HIS 14 4.412 28.342 -41.081 68 HB2 HIS 14 1HB HIS 14 6.858 29.132 -39.495 69 HB3 HIS 14 2HB HIS 14 6.214 27.511 -39.736 70 HD1 HIS 14 1HD HIS 14 9.077 29.013 -40.618 71 HD2 HIS 14 2HD HIS 14 6.031 27.468 -42.984 72 HE1 HIS 14 1HE HIS 14 10.136 28.531 -42.847 73 HE2 HIS 14 2HE HIS 14 8.256 27.677 -44.288 74 HA PRO 15 HA PRO 15 2.040 29.592 -37.594 75 HB2 PRO 15 1HB PRO 15 1.536 27.156 -36.506 76 HB3 PRO 15 2HB PRO 15 0.755 27.728 -37.986 77 HG2 PRO 15 1HG PRO 15 3.095 25.888 -37.668 78 HG3 PRO 15 2HG PRO 15 1.710 25.756 -38.766 79 HD2 PRO 15 1HD PRO 15 4.127 26.673 -39.573 80 HD3 PRO 15 2HD PRO 15 2.602 27.254 -40.274 81 H VAL 16 H VAL 16 2.016 29.551 -35.245 82 HA VAL 16 HA VAL 16 4.711 29.434 -34.163 83 HB VAL 16 HB VAL 16 3.734 30.500 -32.164 84 HG11 VAL 16 1HG1 VAL 16 3.067 32.635 -33.272 85 HG12 VAL 16 2HG1 VAL 16 4.574 31.945 -33.877 86 HG13 VAL 16 3HG1 VAL 16 3.088 31.781 -34.814 87 HG21 VAL 16 1HG2 VAL 16 1.144 30.502 -33.708 88 HG22 VAL 16 2HG2 VAL 16 1.501 29.433 -32.351 89 HG23 VAL 16 3HG2 VAL 16 1.424 31.177 -32.103 90 HA PRO 17 HA PRO 17 4.229 25.565 -32.121 91 HB2 PRO 17 1HB PRO 17 6.036 25.896 -30.122 92 HB3 PRO 17 2HB PRO 17 6.504 25.618 -31.803 93 HG2 PRO 17 1HG PRO 17 6.363 28.189 -30.277 94 HG3 PRO 17 2HG PRO 17 7.612 27.622 -31.400 95 HD2 PRO 17 1HD PRO 17 5.696 29.392 -32.126 96 HD3 PRO 17 2HD PRO 17 6.386 28.214 -33.260 97 H GLY 18 H GLY 18 4.364 28.418 -29.984 98 HA2 GLY 18 1HA GLY 18 3.251 28.903 -28.032 99 HA3 GLY 18 2HA GLY 18 1.889 28.103 -28.803 100 H SER 19 H SER 19 4.434 27.830 -26.477 101 HA SER 19 HA SER 19 3.121 25.505 -25.327 102 HB2 SER 19 1HB SER 19 4.854 24.604 -26.895 103 HB3 SER 19 2HB SER 19 6.083 25.442 -25.948 104 HG SER 19 HG SER 19 4.534 23.208 -25.291 105 HA PRO 20 HA PRO 20 4.107 27.657 -21.614 106 HB2 PRO 20 1HB PRO 20 3.795 25.617 -19.850 107 HB3 PRO 20 2HB PRO 20 2.433 26.423 -20.637 108 HG2 PRO 20 1HG PRO 20 3.758 23.830 -21.333 109 HG3 PRO 20 2HG PRO 20 2.030 24.225 -21.281 110 HD2 PRO 20 1HD PRO 20 3.435 24.131 -23.594 111 HD3 PRO 20 2HD PRO 20 2.073 25.243 -23.349 112 H TYR 21 H TYR 21 5.519 24.381 -21.790 113 HA TYR 21 HA TYR 21 7.471 23.589 -20.834 114 HB2 TYR 21 1HB TYR 21 7.881 24.728 -23.190 115 HB3 TYR 21 2HB TYR 21 8.855 25.837 -22.230 116 HD1 TYR 21 2HD TYR 21 8.533 22.393 -23.443 117 HD2 TYR 21 1HD TYR 21 10.911 25.101 -21.181 118 HE1 TYR 21 2HE TYR 21 10.400 20.793 -23.501 119 HE2 TYR 21 1HE TYR 21 12.785 23.509 -21.234 120 HH TYR 21 HH TYR 21 13.553 21.617 -22.674 121 H THR 22 H THR 22 6.166 25.477 -19.104 122 HA THR 22 HA THR 22 8.144 27.275 -18.052 123 HB THR 22 HB THR 22 6.511 27.617 -16.198 124 HG1 THR 22 1HG THR 22 5.637 25.320 -16.698 125 HG21 THR 22 1HG2 THR 22 4.784 28.682 -17.573 126 HG22 THR 22 2HG2 THR 22 5.346 27.782 -18.981 127 HG23 THR 22 3HG2 THR 22 6.394 28.983 -18.226 128 H VAL 23 H VAL 23 9.314 27.091 -16.156 129 HA VAL 23 HA VAL 23 10.197 24.505 -15.442 130 HB VAL 23 HB VAL 23 11.433 25.632 -13.618 131 HG11 VAL 23 1HG1 VAL 23 12.815 25.742 -15.389 132 HG12 VAL 23 2HG1 VAL 23 11.565 26.387 -16.455 133 HG13 VAL 23 3HG1 VAL 23 12.427 27.462 -15.354 134 HG21 VAL 23 1HG2 VAL 23 9.557 27.808 -14.298 135 HG22 VAL 23 2HG2 VAL 23 10.296 27.388 -12.753 136 HG23 VAL 23 3HG2 VAL 23 11.219 28.288 -13.956 137 H GLU 24 H GLU 24 8.227 23.414 -14.888 138 HA GLU 24 HA GLU 24 6.992 24.223 -12.357 139 HB2 GLU 24 1HB GLU 24 5.205 22.676 -12.911 140 HB3 GLU 24 2HB GLU 24 5.499 23.759 -14.264 141 HG2 GLU 24 1HG GLU 24 6.919 21.935 -15.264 142 HG3 GLU 24 2HG GLU 24 6.288 20.874 -14.005 143 H ALA 25 H ALA 25 9.513 23.312 -11.982 144 HA ALA 25 HA ALA 25 9.252 20.509 -11.145 145 HB1 ALA 25 1HB ALA 25 11.521 20.269 -11.350 146 HB2 ALA 25 2HB ALA 25 11.215 21.488 -12.588 147 HB3 ALA 25 3HB ALA 25 11.843 21.970 -11.012 148 H SER 26 H SER 26 7.929 22.543 -9.660 149 HA SER 26 HA SER 26 8.972 21.966 -7.052 150 HB2 SER 26 1HB SER 26 10.373 23.916 -7.761 151 HB3 SER 26 2HB SER 26 8.896 24.870 -7.900 152 HG SER 26 HG SER 26 9.642 25.259 -5.879 153 H LEU 27 H LEU 27 7.088 21.250 -6.263 154 HA LEU 27 HA LEU 27 4.902 23.154 -6.005 155 HB2 LEU 27 1HB LEU 27 4.500 20.396 -7.155 156 HB3 LEU 27 2HB LEU 27 3.227 21.550 -6.761 157 HG LEU 27 HG LEU 27 5.347 22.086 -8.832 158 HD11 LEU 27 1HD1 LEU 27 2.734 21.538 -9.902 159 HD12 LEU 27 2HD1 LEU 27 3.340 20.152 -8.996 160 HD13 LEU 27 3HD1 LEU 27 4.292 20.824 -10.320 161 HD21 LEU 27 1HD2 LEU 27 2.679 23.312 -8.972 162 HD22 LEU 27 2HD2 LEU 27 4.272 24.017 -9.250 163 HD23 LEU 27 3HD2 LEU 27 3.670 23.817 -7.603 164 HA PRO 28 HA PRO 28 4.789 21.391 -1.967 165 HB2 PRO 28 1HB PRO 28 2.347 22.296 -1.200 166 HB3 PRO 28 2HB PRO 28 3.768 23.342 -1.314 167 HG2 PRO 28 1HG PRO 28 1.525 22.974 -3.263 168 HG3 PRO 28 2HG PRO 28 2.317 24.472 -2.738 169 HD2 PRO 28 1HD PRO 28 2.902 23.261 -5.088 170 HD3 PRO 28 2HD PRO 28 4.109 24.169 -4.156 171 HA PRO 29 HA PRO 29 2.630 17.560 -2.482 172 HB2 PRO 29 1HB PRO 29 2.865 16.658 0.068 173 HB3 PRO 29 2HB PRO 29 4.212 16.665 -1.077 174 HG2 PRO 29 1HG PRO 29 3.570 18.613 1.103 175 HG3 PRO 29 2HG PRO 29 5.138 17.923 0.646 176 HD2 PRO 29 1HD PRO 29 4.366 20.409 -0.101 177 HD3 PRO 29 2HD PRO 29 5.412 19.391 -1.110 178 H ASP 30 H ASP 30 0.484 17.611 -2.747 179 HA ASP 30 HA ASP 30 -1.186 18.460 -0.472 180 HB2 ASP 30 1HB ASP 30 -1.202 19.727 -2.784 181 HB3 ASP 30 2HB ASP 30 -2.247 18.394 -3.268 182 HA PRO 31 HA PRO 31 -2.100 14.026 -0.701 183 HB2 PRO 31 1HB PRO 31 -3.083 13.888 1.826 184 HB3 PRO 31 2HB PRO 31 -1.354 13.845 1.465 185 HG2 PRO 31 1HG PRO 31 -3.042 16.142 2.377 186 HG3 PRO 31 2HG PRO 31 -1.421 15.664 2.912 187 HD2 PRO 31 1HD PRO 31 -1.838 17.674 1.147 188 HD3 PRO 31 2HD PRO 31 -0.395 16.641 1.094 189 H SER 32 H SER 32 -4.187 16.616 0.518 190 HA SER 32 HA SER 32 -6.619 15.223 0.433 191 HB2 SER 32 1HB SER 32 -6.051 18.178 0.107 192 HB3 SER 32 2HB SER 32 -7.662 17.496 0.329 193 HG SER 32 HG SER 32 -5.491 17.522 2.138 194 H LYS 33 H LYS 33 -4.633 16.417 -2.079 195 HA LYS 33 HA LYS 33 -6.797 16.455 -4.035 196 HB2 LYS 33 1HB LYS 33 -3.847 17.067 -4.277 197 HB3 LYS 33 2HB LYS 33 -4.981 17.140 -5.619 198 HG2 LYS 33 1HG LYS 33 -5.484 18.721 -3.134 199 HG3 LYS 33 2HG LYS 33 -4.358 19.307 -4.360 200 HD2 LYS 33 1HD LYS 33 -7.159 18.447 -5.035 201 HD3 LYS 33 2HD LYS 33 -6.778 20.095 -4.530 202 HE2 LYS 33 1HE LYS 33 -5.383 18.718 -6.814 203 HE3 LYS 33 2HE LYS 33 -6.852 19.671 -7.026 204 HZ1 LYS 33 1HZ LYS 33 -4.299 20.626 -7.056 205 HZ2 LYS 33 2HZ LYS 33 -4.858 21.063 -5.521 206 HZ3 LYS 33 3HZ LYS 33 -5.704 21.555 -6.901 207 H VAL 34 H VAL 34 -4.590 14.262 -2.736 208 HA VAL 34 HA VAL 34 -4.138 12.671 -5.077 209 HB VAL 34 HB VAL 34 -3.754 12.073 -2.144 210 HG11 VAL 34 1HG1 VAL 34 -2.221 10.311 -3.704 211 HG12 VAL 34 2HG1 VAL 34 -3.588 9.919 -2.659 212 HG13 VAL 34 3HG1 VAL 34 -3.854 10.266 -4.368 213 HG21 VAL 34 1HG2 VAL 34 -2.104 13.581 -2.654 214 HG22 VAL 34 2HG2 VAL 34 -1.299 12.074 -3.091 215 HG23 VAL 34 3HG2 VAL 34 -2.019 13.084 -4.344 216 H LYS 35 H LYS 35 -5.689 11.552 -6.043 217 HA LYS 35 HA LYS 35 -7.758 10.280 -4.372 218 HB2 LYS 35 1HB LYS 35 -7.904 11.596 -7.060 219 HB3 LYS 35 2HB LYS 35 -9.046 10.322 -6.653 220 HG2 LYS 35 1HG LYS 35 -9.920 11.573 -4.832 221 HG3 LYS 35 2HG LYS 35 -8.628 12.769 -4.957 222 HD2 LYS 35 1HD LYS 35 -10.560 13.738 -5.943 223 HD3 LYS 35 2HD LYS 35 -9.483 13.290 -7.268 224 HE2 LYS 35 1HE LYS 35 -11.481 12.483 -8.053 225 HE3 LYS 35 2HE LYS 35 -10.863 11.059 -7.217 226 HZ1 LYS 35 1HZ LYS 35 -12.329 12.704 -5.435 227 HZ2 LYS 35 2HZ LYS 35 -12.595 11.088 -5.857 228 HZ3 LYS 35 3HZ LYS 35 -13.274 12.327 -6.786 229 H ALA 36 H ALA 36 -8.119 8.136 -4.599 230 HA ALA 36 HA ALA 36 -6.487 6.714 -6.601 231 HB1 ALA 36 1HB ALA 36 -6.309 6.479 -3.888 232 HB2 ALA 36 2HB ALA 36 -7.390 5.147 -4.302 233 HB3 ALA 36 3HB ALA 36 -5.796 5.255 -5.050 234 H HIS 37 H HIS 37 -7.634 5.807 -8.167 235 HA HIS 37 HA HIS 37 -10.253 4.644 -7.519 236 HB2 HIS 37 1HB HIS 37 -10.915 5.432 -9.905 237 HB3 HIS 37 2HB HIS 37 -10.960 6.594 -8.583 238 HD1 HIS 37 1HD HIS 37 -9.420 5.960 -11.851 239 HD2 HIS 37 2HD HIS 37 -8.741 8.443 -8.591 240 HE1 HIS 37 1HE HIS 37 -7.852 7.742 -12.679 241 HE2 HIS 37 2HE HIS 37 -7.388 9.184 -10.667 242 H GLY 38 H GLY 38 -10.463 2.607 -8.191 243 HA2 GLY 38 1HA GLY 38 -9.714 1.526 -10.616 244 HA3 GLY 38 2HA GLY 38 -8.325 1.305 -9.562 245 HA PRO 39 HA PRO 39 -11.502 -2.158 -9.058 246 HB2 PRO 39 1HB PRO 39 -9.972 -4.163 -10.065 247 HB3 PRO 39 2HB PRO 39 -11.055 -3.186 -11.064 248 HG2 PRO 39 1HG PRO 39 -8.096 -2.941 -10.680 249 HG3 PRO 39 2HG PRO 39 -9.044 -2.826 -12.174 250 HD2 PRO 39 1HD PRO 39 -8.142 -0.644 -10.850 251 HD3 PRO 39 2HD PRO 39 -9.665 -0.645 -11.761 252 H GLY 40 H GLY 40 -7.976 -2.113 -8.640 253 HA2 GLY 40 1HA GLY 40 -7.727 -4.122 -6.731 254 HA3 GLY 40 2HA GLY 40 -6.655 -2.737 -6.871 255 H LEU 41 H LEU 41 -9.168 -1.022 -6.418 256 HA LEU 41 HA LEU 41 -8.849 -0.889 -3.546 257 HB2 LEU 41 1HB LEU 41 -10.597 0.777 -5.348 258 HB3 LEU 41 2HB LEU 41 -10.157 1.139 -3.680 259 HG LEU 41 HG LEU 41 -8.220 1.047 -5.993 260 HD11 LEU 41 1HD1 LEU 41 -9.602 3.353 -4.640 261 HD12 LEU 41 2HD1 LEU 41 -9.666 2.902 -6.343 262 HD13 LEU 41 3HD1 LEU 41 -8.169 3.528 -5.653 263 HD21 LEU 41 1HD2 LEU 41 -7.957 1.415 -3.069 264 HD22 LEU 41 2HD2 LEU 41 -6.995 2.477 -4.097 265 HD23 LEU 41 3HD2 LEU 41 -6.827 0.726 -4.235 266 H GLU 42 H GLU 42 -11.445 -1.558 -5.860 267 HA GLU 42 HA GLU 42 -13.458 -1.924 -3.879 268 HB2 GLU 42 1HB GLU 42 -13.293 -2.743 -6.780 269 HB3 GLU 42 2HB GLU 42 -14.712 -3.022 -5.780 270 HG2 GLU 42 1HG GLU 42 -14.737 -0.535 -5.345 271 HG3 GLU 42 2HG GLU 42 -13.530 -0.395 -6.623 272 H GLY 43 H GLY 43 -11.149 -4.033 -5.466 273 HA2 GLY 43 1HA GLY 43 -10.697 -5.930 -3.713 274 HA3 GLY 43 2HA GLY 43 -12.329 -6.385 -4.179 275 H GLY 44 H GLY 44 -10.753 -8.346 -4.615 276 HA2 GLY 44 1HA GLY 44 -10.582 -8.536 -7.485 277 HA3 GLY 44 2HA GLY 44 -9.013 -8.546 -6.695 278 H LEU 45 H LEU 45 -8.508 -10.647 -7.268 279 HA LEU 45 HA LEU 45 -10.103 -12.717 -5.910 280 HB2 LEU 45 1HB LEU 45 -8.752 -12.851 -8.597 281 HB3 LEU 45 2HB LEU 45 -9.365 -14.263 -7.739 282 HG LEU 45 HG LEU 45 -11.127 -11.953 -8.523 283 HD11 LEU 45 1HD1 LEU 45 -11.441 -14.318 -10.143 284 HD12 LEU 45 2HD1 LEU 45 -9.818 -13.646 -10.303 285 HD13 LEU 45 3HD1 LEU 45 -11.227 -12.637 -10.633 286 HD21 LEU 45 1HD2 LEU 45 -11.617 -13.926 -6.776 287 HD22 LEU 45 2HD2 LEU 45 -12.099 -14.732 -8.269 288 HD23 LEU 45 3HD2 LEU 45 -12.862 -13.211 -7.801 289 H VAL 46 H VAL 46 -8.983 -14.377 -4.908 290 HA VAL 46 HA VAL 46 -6.477 -13.771 -3.819 291 HB VAL 46 HB VAL 46 -7.825 -16.467 -4.026 292 HG11 VAL 46 1HG1 VAL 46 -5.364 -15.531 -2.642 293 HG12 VAL 46 2HG1 VAL 46 -6.383 -16.723 -1.833 294 HG13 VAL 46 3HG1 VAL 46 -5.704 -17.075 -3.423 295 HG21 VAL 46 1HG2 VAL 46 -8.916 -14.394 -2.823 296 HG22 VAL 46 2HG2 VAL 46 -8.968 -16.000 -2.095 297 HG23 VAL 46 3HG2 VAL 46 -7.777 -14.821 -1.546 298 H GLY 47 H GLY 47 -4.438 -14.115 -4.465 299 HA2 GLY 47 1HA GLY 47 -2.661 -15.110 -5.592 300 HA3 GLY 47 2HA GLY 47 -3.803 -16.171 -6.403 301 H LYS 48 H LYS 48 -5.400 -13.688 -7.135 302 HA LYS 48 HA LYS 48 -3.989 -13.197 -9.625 303 HB2 LYS 48 1HB LYS 48 -6.757 -12.681 -8.612 304 HB3 LYS 48 2HB LYS 48 -6.168 -11.770 -9.996 305 HG2 LYS 48 1HG LYS 48 -7.277 -13.577 -10.943 306 HG3 LYS 48 2HG LYS 48 -5.578 -14.049 -11.004 307 HD2 LYS 48 1HD LYS 48 -5.869 -15.390 -8.986 308 HD3 LYS 48 2HD LYS 48 -7.561 -14.897 -8.891 309 HE2 LYS 48 1HE LYS 48 -6.321 -16.422 -11.180 310 HE3 LYS 48 2HE LYS 48 -7.263 -17.143 -9.876 311 HZ1 LYS 48 1HZ LYS 48 -8.212 -16.075 -12.248 312 HZ2 LYS 48 2HZ LYS 48 -8.698 -15.004 -11.033 313 HZ3 LYS 48 3HZ LYS 48 -9.123 -16.638 -10.939 314 HA PRO 49 HA PRO 49 -2.305 -9.291 -8.509 315 HB2 PRO 49 1HB PRO 49 -2.185 -8.125 -10.958 316 HB3 PRO 49 2HB PRO 49 -1.090 -9.419 -10.456 317 HG2 PRO 49 1HG PRO 49 -3.559 -9.574 -12.141 318 HG3 PRO 49 2HG PRO 49 -1.994 -10.374 -12.373 319 HD2 PRO 49 1HD PRO 49 -4.138 -11.647 -11.318 320 HD3 PRO 49 2HD PRO 49 -2.471 -12.030 -10.843 321 H ALA 50 H ALA 50 -2.932 -7.219 -8.025 322 HA ALA 50 HA ALA 50 -5.395 -6.167 -9.191 323 HB1 ALA 50 1HB ALA 50 -5.183 -7.238 -6.504 324 HB2 ALA 50 2HB ALA 50 -5.712 -5.555 -6.513 325 HB3 ALA 50 3HB ALA 50 -6.612 -6.766 -7.425 326 H GLU 51 H GLU 51 -5.089 -4.115 -9.737 327 HA GLU 51 HA GLU 51 -3.332 -2.443 -8.084 328 HB2 GLU 51 1HB GLU 51 -2.630 -1.395 -10.373 329 HB3 GLU 51 2HB GLU 51 -1.835 -2.853 -9.795 330 HG2 GLU 51 1HG GLU 51 -3.450 -4.169 -11.191 331 HG3 GLU 51 2HG GLU 51 -3.978 -2.639 -11.890 332 H PHE 52 H PHE 52 -3.576 -0.081 -8.673 333 HA PHE 52 HA PHE 52 -6.238 0.566 -9.706 334 HB2 PHE 52 1HB PHE 52 -6.441 2.219 -7.744 335 HB3 PHE 52 2HB PHE 52 -6.743 0.517 -7.412 336 HD1 PHE 52 1HD PHE 52 -5.067 -0.826 -6.209 337 HD2 PHE 52 2HD PHE 52 -4.610 3.370 -6.759 338 HE1 PHE 52 1HE PHE 52 -3.369 -0.781 -4.430 339 HE2 PHE 52 2HE PHE 52 -2.910 3.421 -4.981 340 HZ PHE 52 HZ PHE 52 -2.287 1.344 -3.814 341 H THR 53 H THR 53 -6.474 3.069 -9.759 342 HA THR 53 HA THR 53 -3.983 4.131 -10.908 343 HB THR 53 HB THR 53 -6.682 5.353 -11.387 344 HG1 THR 53 1HG THR 53 -7.257 3.620 -12.442 345 HG21 THR 53 1HG2 THR 53 -5.435 6.702 -12.650 346 HG22 THR 53 2HG2 THR 53 -5.071 5.322 -13.687 347 HG23 THR 53 3HG2 THR 53 -3.998 5.727 -12.348 348 H ILE 54 H ILE 54 -2.963 5.709 -9.873 349 HA ILE 54 HA ILE 54 -4.436 7.220 -7.821 350 HB ILE 54 HB ILE 54 -1.461 6.746 -8.043 351 HG12 ILE 54 1HG1 ILE 54 -3.445 5.657 -6.035 352 HG13 ILE 54 2HG1 ILE 54 -2.812 4.747 -7.403 353 HG21 ILE 54 1HG2 ILE 54 -1.384 8.642 -6.841 354 HG22 ILE 54 2HG2 ILE 54 -3.092 8.560 -6.414 355 HG23 ILE 54 3HG2 ILE 54 -1.911 7.613 -5.510 356 HD11 ILE 54 1HD1 ILE 54 -0.598 5.785 -6.003 357 HD12 ILE 54 2HD1 ILE 54 -1.699 5.091 -4.813 358 HD13 ILE 54 3HD1 ILE 54 -1.112 4.105 -6.153 359 H ASP 55 H ASP 55 -4.611 9.375 -7.972 360 HA ASP 55 HA ASP 55 -3.290 10.684 -10.247 361 HB2 ASP 55 1HB ASP 55 -5.891 11.102 -8.847 362 HB3 ASP 55 2HB ASP 55 -5.109 12.499 -9.580 363 H THR 56 H THR 56 -1.530 11.794 -9.743 364 HA THR 56 HA THR 56 -1.527 13.374 -7.259 365 HB THR 56 HB THR 56 1.047 12.951 -7.337 366 HG1 THR 56 1HG THR 56 0.821 11.735 -9.371 367 HG21 THR 56 1HG2 THR 56 -0.888 12.026 -5.756 368 HG22 THR 56 2HG2 THR 56 0.781 11.475 -5.616 369 HG23 THR 56 3HG2 THR 56 -0.399 10.499 -6.490 370 H LYS 57 H LYS 57 -2.040 13.962 -10.171 371 HA LYS 57 HA LYS 57 0.146 15.459 -11.179 372 HB2 LYS 57 1HB LYS 57 -2.798 15.730 -11.816 373 HB3 LYS 57 2HB LYS 57 -1.473 16.376 -12.775 374 HG2 LYS 57 1HG LYS 57 -0.835 14.290 -13.540 375 HG3 LYS 57 2HG LYS 57 -1.623 13.447 -12.204 376 HD2 LYS 57 1HD LYS 57 -3.804 14.439 -13.226 377 HD3 LYS 57 2HD LYS 57 -2.822 14.618 -14.682 378 HE2 LYS 57 1HE LYS 57 -2.393 12.276 -14.770 379 HE3 LYS 57 2HE LYS 57 -3.090 12.027 -13.170 380 HZ1 LYS 57 1HZ LYS 57 -5.090 13.208 -14.606 381 HZ2 LYS 57 2HZ LYS 57 -4.969 11.562 -14.232 382 HZ3 LYS 57 3HZ LYS 57 -4.386 12.138 -15.712 383 H GLY 58 H GLY 58 -2.929 16.531 -9.711 384 HA2 GLY 58 1HA GLY 58 -1.801 19.197 -9.328 385 HA3 GLY 58 2HA GLY 58 -3.474 18.728 -9.066 386 H ALA 59 H ALA 59 -0.814 16.892 -7.749 387 HA ALA 59 HA ALA 59 -1.670 17.710 -5.057 388 HB1 ALA 59 1HB ALA 59 0.007 15.435 -4.925 389 HB2 ALA 59 2HB ALA 59 -1.722 15.543 -4.591 390 HB3 ALA 59 3HB ALA 59 -1.160 15.164 -6.219 391 H GLY 60 H GLY 60 1.222 16.999 -6.997 392 HA2 GLY 60 1HA GLY 60 2.982 18.778 -6.768 393 HA3 GLY 60 2HA GLY 60 2.795 18.551 -5.035 394 H THR 61 H THR 61 4.819 17.848 -4.543 395 HA THR 61 HA THR 61 5.535 15.194 -5.567 396 HB THR 61 HB THR 61 6.837 17.135 -6.697 397 HG1 THR 61 1HG THR 61 7.430 14.892 -6.777 398 HG21 THR 61 1HG2 THR 61 8.855 17.814 -5.444 399 HG22 THR 61 2HG2 THR 61 8.217 17.002 -4.014 400 HG23 THR 61 3HG2 THR 61 7.370 18.393 -4.690 401 H GLY 62 H GLY 62 6.613 13.869 -4.117 402 HA2 GLY 62 1HA GLY 62 7.836 14.652 -1.733 403 HA3 GLY 62 2HA GLY 62 6.143 14.347 -1.372 404 H GLY 63 H GLY 63 5.641 12.346 -0.778 405 HA2 GLY 63 1HA GLY 63 6.843 10.047 -2.020 406 HA3 GLY 63 2HA GLY 63 7.390 10.296 -0.369 407 H LEU 64 H LEU 64 5.182 8.713 -2.229 408 HA LEU 64 HA LEU 64 3.056 8.734 -0.224 409 HB2 LEU 64 1HB LEU 64 2.562 8.923 -2.672 410 HB3 LEU 64 2HB LEU 64 3.139 7.267 -2.853 411 HG LEU 64 HG LEU 64 1.314 6.669 -1.137 412 HD11 LEU 64 1HD1 LEU 64 0.802 8.935 -0.421 413 HD12 LEU 64 2HD1 LEU 64 -0.615 8.175 -1.144 414 HD13 LEU 64 3HD1 LEU 64 0.315 9.359 -2.063 415 HD21 LEU 64 1HD2 LEU 64 0.693 7.557 -3.949 416 HD22 LEU 64 2HD2 LEU 64 -0.402 6.601 -2.949 417 HD23 LEU 64 3HD2 LEU 64 1.170 5.946 -3.412 418 H GLY 65 H GLY 65 2.655 7.085 1.139 419 HA2 GLY 65 1HA GLY 65 4.363 4.688 0.871 420 HA3 GLY 65 2HA GLY 65 3.880 5.377 2.414 421 H LEU 66 H LEU 66 3.337 2.864 0.427 422 HA LEU 66 HA LEU 66 0.519 2.609 1.247 423 HB2 LEU 66 1HB LEU 66 0.314 2.497 -1.012 424 HB3 LEU 66 2HB LEU 66 1.953 1.893 -1.240 425 HG LEU 66 HG LEU 66 1.226 -0.343 -0.569 426 HD11 LEU 66 1HD1 LEU 66 -0.517 -0.135 0.915 427 HD12 LEU 66 2HD1 LEU 66 -1.371 -0.604 -0.555 428 HD13 LEU 66 3HD1 LEU 66 -1.341 1.087 -0.054 429 HD21 LEU 66 1HD2 LEU 66 1.109 0.438 -2.944 430 HD22 LEU 66 2HD2 LEU 66 -0.607 0.758 -2.691 431 HD23 LEU 66 3HD2 LEU 66 0.014 -0.887 -2.548 432 H THR 67 H THR 67 0.100 1.100 2.709 433 HA THR 67 HA THR 67 1.893 -1.227 2.902 434 HB THR 67 HB THR 67 1.365 -1.123 5.433 435 HG1 THR 67 1HG THR 67 0.006 0.513 5.749 436 HG21 THR 67 1HG2 THR 67 3.598 -0.829 4.940 437 HG22 THR 67 2HG2 THR 67 3.209 0.732 5.663 438 HG23 THR 67 3HG2 THR 67 3.295 0.569 3.909 439 H VAL 68 H VAL 68 0.860 -3.111 2.814 440 HA VAL 68 HA VAL 68 -2.029 -3.168 2.797 441 HB VAL 68 HB VAL 68 0.049 -5.307 2.350 442 HG11 VAL 68 1HG1 VAL 68 -1.958 -6.670 1.573 443 HG12 VAL 68 2HG1 VAL 68 -1.734 -6.497 3.315 444 HG13 VAL 68 3HG1 VAL 68 -2.945 -5.524 2.479 445 HG21 VAL 68 1HG2 VAL 68 -0.550 -3.422 0.647 446 HG22 VAL 68 2HG2 VAL 68 -0.389 -5.089 0.095 447 HG23 VAL 68 3HG2 VAL 68 -1.990 -4.399 0.365 448 H GLU 69 H GLU 69 -2.909 -2.979 4.787 449 HA GLU 69 HA GLU 69 -1.788 -4.395 7.052 450 HB2 GLU 69 1HB GLU 69 -3.908 -2.349 6.646 451 HB3 GLU 69 2HB GLU 69 -4.043 -3.382 8.062 452 HG2 GLU 69 1HG GLU 69 -1.627 -1.728 7.368 453 HG3 GLU 69 2HG GLU 69 -2.886 -1.253 8.507 454 H GLY 70 H GLY 70 -3.069 -5.776 4.678 455 HA2 GLY 70 1HA GLY 70 -5.530 -6.901 5.370 456 HA3 GLY 70 2HA GLY 70 -4.334 -7.658 4.328 457 HA PRO 71 HA PRO 71 -4.886 -10.059 8.344 458 HB2 PRO 71 1HB PRO 71 -5.822 -12.343 7.215 459 HB3 PRO 71 2HB PRO 71 -6.879 -11.026 7.737 460 HG2 PRO 71 1HG PRO 71 -5.878 -11.677 4.992 461 HG3 PRO 71 2HG PRO 71 -7.504 -11.186 5.502 462 HD2 PRO 71 1HD PRO 71 -5.745 -9.459 4.382 463 HD3 PRO 71 2HD PRO 71 -6.937 -8.954 5.597 464 H CYS 72 H CYS 72 -3.330 -10.410 5.307 465 HA CYS 72 HA CYS 72 -1.240 -12.021 6.560 466 HB2 CYS 72 1HB CYS 72 -2.844 -13.525 5.287 467 HB3 CYS 72 2HB CYS 72 -2.298 -12.719 3.821 468 HG CYS 72 HG CYS 72 0.262 -13.813 5.624 469 H GLU 73 H GLU 73 0.784 -12.012 5.314 470 HA GLU 73 HA GLU 73 1.326 -9.378 4.314 471 HB2 GLU 73 1HB GLU 73 2.859 -10.987 5.693 472 HB3 GLU 73 2HB GLU 73 3.271 -11.648 4.117 473 HG2 GLU 73 1HG GLU 73 4.010 -9.444 3.379 474 HG3 GLU 73 2HG GLU 73 3.592 -8.775 4.955 475 H ALA 74 H ALA 74 0.740 -8.824 2.322 476 HA ALA 74 HA ALA 74 1.034 -10.804 0.162 477 HB1 ALA 74 1HB ALA 74 -1.134 -9.159 0.862 478 HB2 ALA 74 2HB ALA 74 -0.483 -8.514 -0.645 479 HB3 ALA 74 3HB ALA 74 -0.979 -10.203 -0.550 480 H LYS 75 H LYS 75 2.254 -10.351 -1.605 481 HA LYS 75 HA LYS 75 4.317 -8.467 -1.422 482 HB2 LYS 75 1HB LYS 75 4.054 -10.627 -2.891 483 HB3 LYS 75 2HB LYS 75 3.408 -9.504 -4.080 484 HG2 LYS 75 1HG LYS 75 5.428 -8.381 -4.304 485 HG3 LYS 75 2HG LYS 75 6.047 -8.989 -2.767 486 HD2 LYS 75 1HD LYS 75 5.414 -10.889 -4.991 487 HD3 LYS 75 2HD LYS 75 6.934 -9.992 -4.997 488 HE2 LYS 75 1HE LYS 75 7.561 -10.926 -2.879 489 HE3 LYS 75 2HE LYS 75 5.977 -11.675 -2.687 490 HZ1 LYS 75 1HZ LYS 75 8.049 -13.006 -3.585 491 HZ2 LYS 75 2HZ LYS 75 7.521 -12.379 -5.064 492 HZ3 LYS 75 3HZ LYS 75 6.481 -13.331 -4.130 493 H ILE 76 H ILE 76 4.738 -6.570 -2.637 494 HA ILE 76 HA ILE 76 2.412 -5.301 -3.897 495 HB ILE 76 HB ILE 76 4.186 -3.860 -1.926 496 HG12 ILE 76 1HG1 ILE 76 1.303 -4.639 -1.498 497 HG13 ILE 76 2HG1 ILE 76 2.638 -5.650 -0.956 498 HG21 ILE 76 1HG2 ILE 76 1.750 -2.530 -2.301 499 HG22 ILE 76 2HG2 ILE 76 3.344 -2.034 -2.865 500 HG23 ILE 76 3HG2 ILE 76 2.300 -2.996 -3.911 501 HD11 ILE 76 1HD1 ILE 76 3.422 -3.417 0.186 502 HD12 ILE 76 2HD1 ILE 76 1.706 -3.026 0.064 503 HD13 ILE 76 3HD1 ILE 76 2.222 -4.467 0.940 504 H GLU 77 H GLU 77 2.921 -4.538 -5.834 505 HA GLU 77 HA GLU 77 5.744 -3.903 -6.392 506 HB2 GLU 77 1HB GLU 77 4.975 -5.794 -7.700 507 HB3 GLU 77 2HB GLU 77 3.574 -4.886 -8.252 508 HG2 GLU 77 1HG GLU 77 4.996 -4.769 -10.059 509 HG3 GLU 77 2HG GLU 77 5.307 -3.246 -9.229 510 H CYS 78 H CYS 78 5.913 -1.751 -6.121 511 HA CYS 78 HA CYS 78 3.879 -0.023 -7.348 512 HB2 CYS 78 1HB CYS 78 4.664 1.739 -5.893 513 HB3 CYS 78 2HB CYS 78 4.356 0.302 -4.926 514 HG CYS 78 HG CYS 78 6.796 2.002 -4.405 515 H SER 79 H SER 79 4.355 0.744 -9.288 516 HA SER 79 HA SER 79 7.105 1.604 -9.839 517 HB2 SER 79 1HB SER 79 6.973 -0.554 -10.892 518 HB3 SER 79 2HB SER 79 5.412 -0.164 -11.614 519 HG SER 79 HG SER 79 6.374 1.079 -13.078 520 H ASP 80 H ASP 80 6.843 3.742 -10.010 521 HA ASP 80 HA ASP 80 4.537 5.095 -10.781 522 HB2 ASP 80 1HB ASP 80 5.799 7.044 -10.699 523 HB3 ASP 80 2HB ASP 80 6.734 5.961 -9.673 524 H ASN 81 H ASN 81 3.903 6.112 -12.702 525 HA ASN 81 HA ASN 81 4.650 4.674 -15.093 526 HB2 ASN 81 1HB ASN 81 2.668 6.923 -14.669 527 HB3 ASN 81 2HB ASN 81 2.862 6.014 -16.165 528 HD21 ASN 81 1HD2 ASN 81 2.089 5.672 -12.742 529 HD22 ASN 81 2HD2 ASN 81 1.045 4.309 -12.930 530 H GLY 82 H GLY 82 4.827 8.021 -13.920 531 HA2 GLY 82 1HA GLY 82 6.884 9.254 -14.418 532 HA3 GLY 82 2HA GLY 82 6.843 8.529 -16.019 533 H ASP 83 H ASP 83 3.775 9.023 -15.793 534 HA ASP 83 HA ASP 83 3.916 11.684 -16.989 535 HB2 ASP 83 1HB ASP 83 2.763 9.756 -18.149 536 HB3 ASP 83 2HB ASP 83 1.534 9.829 -16.889 537 H GLY 84 H GLY 84 3.283 10.338 -14.010 538 HA2 GLY 84 1HA GLY 84 2.877 12.039 -12.249 539 HA3 GLY 84 2HA GLY 84 1.566 12.624 -13.261 540 H THR 85 H THR 85 1.817 9.266 -13.356 541 HA THR 85 HA THR 85 -0.235 8.982 -11.259 542 HB THR 85 HB THR 85 -1.241 7.163 -12.656 543 HG1 THR 85 1HG THR 85 0.749 7.007 -14.005 544 HG21 THR 85 1HG2 THR 85 -1.224 9.776 -14.150 545 HG22 THR 85 2HG2 THR 85 -2.033 9.585 -12.595 546 HG23 THR 85 3HG2 THR 85 -2.544 8.620 -13.979 547 H CYS 86 H CYS 86 -0.551 6.479 -10.841 548 HA CYS 86 HA CYS 86 2.044 5.122 -10.796 549 HB2 CYS 86 1HB CYS 86 0.393 5.908 -8.423 550 HB3 CYS 86 2HB CYS 86 1.341 4.428 -8.363 551 HG CYS 86 HG CYS 86 3.019 6.073 -7.110 552 H SER 87 H SER 87 1.942 2.921 -10.940 553 HA SER 87 HA SER 87 -0.752 1.731 -11.061 554 HB2 SER 87 1HB SER 87 1.527 1.571 -12.973 555 HB3 SER 87 2HB SER 87 0.558 0.117 -12.738 556 HG SER 87 HG SER 87 -1.091 1.046 -13.697 557 H VAL 88 H VAL 88 -0.170 1.339 -8.735 558 HA VAL 88 HA VAL 88 1.834 -0.665 -8.199 559 HB VAL 88 HB VAL 88 -0.311 0.411 -6.363 560 HG11 VAL 88 1HG1 VAL 88 2.292 -0.746 -5.467 561 HG12 VAL 88 2HG1 VAL 88 0.758 -0.627 -4.603 562 HG13 VAL 88 3HG1 VAL 88 0.959 -1.820 -5.887 563 HG21 VAL 88 1HG2 VAL 88 2.462 1.366 -6.997 564 HG22 VAL 88 2HG2 VAL 88 0.958 2.286 -6.946 565 HG23 VAL 88 3HG2 VAL 88 1.698 1.722 -5.448 566 H SER 89 H SER 89 1.564 -2.804 -8.120 567 HA SER 89 HA SER 89 -1.187 -3.862 -8.122 568 HB2 SER 89 1HB SER 89 -0.297 -5.731 -9.562 569 HB3 SER 89 2HB SER 89 -0.335 -4.154 -10.349 570 HG SER 89 HG SER 89 1.750 -5.758 -9.972 571 H TYR 90 H TYR 90 -1.624 -5.344 -6.617 572 HA TYR 90 HA TYR 90 0.641 -6.529 -5.150 573 HB2 TYR 90 1HB TYR 90 -0.635 -6.457 -3.144 574 HB3 TYR 90 2HB TYR 90 -0.806 -4.872 -3.891 575 HD1 TYR 90 2HD TYR 90 -2.517 -8.055 -3.177 576 HD2 TYR 90 1HD TYR 90 -2.933 -4.092 -4.669 577 HE1 TYR 90 2HE TYR 90 -4.964 -8.284 -3.086 578 HE2 TYR 90 1HE TYR 90 -5.381 -4.309 -4.581 579 HH TYR 90 HH TYR 90 -7.089 -5.563 -3.724 580 H LEU 91 H LEU 91 0.187 -8.644 -4.149 581 HA LEU 91 HA LEU 91 -1.821 -10.211 -5.616 582 HB2 LEU 91 1HB LEU 91 1.110 -10.609 -5.477 583 HB3 LEU 91 2HB LEU 91 0.102 -12.050 -5.361 584 HG LEU 91 HG LEU 91 -0.299 -10.126 -7.617 585 HD11 LEU 91 1HD1 LEU 91 1.869 -10.416 -8.155 586 HD12 LEU 91 2HD1 LEU 91 1.295 -11.974 -8.748 587 HD13 LEU 91 3HD1 LEU 91 2.040 -11.858 -7.154 588 HD21 LEU 91 1HD2 LEU 91 -1.913 -11.681 -7.864 589 HD22 LEU 91 2HD2 LEU 91 -1.050 -12.888 -6.910 590 HD23 LEU 91 3HD2 LEU 91 -0.608 -12.616 -8.596 591 HA PRO 92 HA PRO 92 -2.603 -11.143 -1.273 592 HB2 PRO 92 1HB PRO 92 -5.056 -12.216 -1.722 593 HB3 PRO 92 2HB PRO 92 -4.771 -10.474 -1.634 594 HG2 PRO 92 1HG PRO 92 -5.050 -12.228 -4.044 595 HG3 PRO 92 2HG PRO 92 -5.737 -10.621 -3.745 596 HD2 PRO 92 1HD PRO 92 -3.528 -11.002 -5.264 597 HD3 PRO 92 2HD PRO 92 -3.771 -9.544 -4.281 598 H THR 93 H THR 93 -3.614 -13.248 -0.279 599 HA THR 93 HA THR 93 -2.634 -15.604 -1.742 600 HB THR 93 HB THR 93 -0.874 -15.145 -0.197 601 HG1 THR 93 1HG THR 93 -0.836 -17.128 0.595 602 HG21 THR 93 1HG2 THR 93 -1.102 -14.419 1.961 603 HG22 THR 93 2HG2 THR 93 -2.632 -15.263 2.200 604 HG23 THR 93 3HG2 THR 93 -2.588 -13.759 1.280 605 H LYS 94 H LYS 94 -4.695 -14.302 0.799 606 HA LYS 94 HA LYS 94 -6.489 -16.599 0.426 607 HB2 LYS 94 1HB LYS 94 -6.967 -16.643 2.829 608 HB3 LYS 94 2HB LYS 94 -5.266 -16.961 2.513 609 HG2 LYS 94 1HG LYS 94 -5.037 -15.493 4.221 610 HG3 LYS 94 2HG LYS 94 -5.097 -14.340 2.885 611 HD2 LYS 94 1HD LYS 94 -6.586 -13.499 4.506 612 HD3 LYS 94 2HD LYS 94 -7.607 -14.249 3.277 613 HE2 LYS 94 1HE LYS 94 -8.096 -16.083 4.631 614 HE3 LYS 94 2HE LYS 94 -6.714 -15.790 5.686 615 HZ1 LYS 94 1HZ LYS 94 -8.602 -13.621 5.628 616 HZ2 LYS 94 2HZ LYS 94 -7.889 -14.398 6.950 617 HZ3 LYS 94 3HZ LYS 94 -9.261 -15.064 6.217 618 HA PRO 95 HA PRO 95 -9.667 -13.604 -0.045 619 HB2 PRO 95 1HB PRO 95 -11.814 -15.007 0.845 620 HB3 PRO 95 2HB PRO 95 -11.025 -15.337 -0.703 621 HG2 PRO 95 1HG PRO 95 -10.715 -16.747 1.920 622 HG3 PRO 95 2HG PRO 95 -10.861 -17.433 0.291 623 HD2 PRO 95 1HD PRO 95 -8.482 -17.184 1.560 624 HD3 PRO 95 2HD PRO 95 -8.642 -17.053 -0.204 625 H GLY 96 H GLY 96 -10.557 -11.958 1.092 626 HA2 GLY 96 1HA GLY 96 -11.700 -12.030 3.608 627 HA3 GLY 96 2HA GLY 96 -9.989 -11.730 3.875 628 H GLU 97 H GLU 97 -9.442 -9.667 4.025 629 HA GLU 97 HA GLU 97 -10.580 -7.693 2.247 630 HB2 GLU 97 1HB GLU 97 -11.373 -6.213 4.029 631 HB3 GLU 97 2HB GLU 97 -12.247 -7.739 4.036 632 HG2 GLU 97 1HG GLU 97 -10.047 -6.903 5.909 633 HG3 GLU 97 2HG GLU 97 -11.758 -7.096 6.290 634 H TYR 98 H TYR 98 -8.968 -6.429 1.626 635 HA TYR 98 HA TYR 98 -6.637 -6.149 3.397 636 HB2 TYR 98 1HB TYR 98 -6.862 -5.838 0.397 637 HB3 TYR 98 2HB TYR 98 -5.395 -5.550 1.325 638 HD1 TYR 98 1HD TYR 98 -7.912 -8.199 0.588 639 HD2 TYR 98 2HD TYR 98 -3.906 -7.299 1.705 640 HE1 TYR 98 1HE TYR 98 -7.328 -10.580 0.388 641 HE2 TYR 98 2HE TYR 98 -3.311 -9.677 1.507 642 HH TYR 98 HH TYR 98 -5.188 -12.060 1.636 643 H PHE 99 H PHE 99 -5.974 -4.191 4.076 644 HA PHE 99 HA PHE 99 -7.579 -1.875 3.238 645 HB2 PHE 99 1HB PHE 99 -6.103 -2.499 5.789 646 HB3 PHE 99 2HB PHE 99 -6.638 -0.867 5.402 647 HD1 PHE 99 2HD PHE 99 -8.146 -4.279 5.197 648 HD2 PHE 99 1HD PHE 99 -8.528 -0.255 6.530 649 HE1 PHE 99 2HE PHE 99 -10.370 -4.797 6.113 650 HE2 PHE 99 1HE PHE 99 -10.752 -0.766 7.449 651 HZ PHE 99 HZ PHE 99 -11.677 -3.039 7.240 652 H VAL 100 H VAL 100 -6.588 -0.727 1.712 653 HA VAL 100 HA VAL 100 -3.702 -0.638 1.526 654 HB VAL 100 HB VAL 100 -5.804 0.759 -0.136 655 HG11 VAL 100 1HG1 VAL 100 -3.056 0.294 -1.141 656 HG12 VAL 100 2HG1 VAL 100 -4.175 1.618 -1.467 657 HG13 VAL 100 3HG1 VAL 100 -3.274 1.577 0.049 658 HG21 VAL 100 1HG2 VAL 100 -4.214 -1.393 -1.327 659 HG22 VAL 100 2HG2 VAL 100 -5.294 -1.918 -0.035 660 HG23 VAL 100 3HG2 VAL 100 -5.943 -1.065 -1.436 661 H ASN 101 H ASN 101 -2.792 0.572 3.102 662 HA ASN 101 HA ASN 101 -3.941 3.064 3.969 663 HB2 ASN 101 1HB ASN 101 -1.296 1.746 4.619 664 HB3 ASN 101 2HB ASN 101 -1.893 3.215 5.385 665 HD21 ASN 101 1HD2 ASN 101 -2.634 -0.185 4.833 666 HD22 ASN 101 2HD2 ASN 101 -3.536 -0.411 6.290 667 H ILE 102 H ILE 102 -3.921 4.616 2.430 668 HA ILE 102 HA ILE 102 -1.420 5.135 0.986 669 HB ILE 102 HB ILE 102 -4.079 6.448 0.459 670 HG12 ILE 102 1HG1 ILE 102 -2.973 3.916 -0.777 671 HG13 ILE 102 2HG1 ILE 102 -4.364 4.014 0.298 672 HG21 ILE 102 1HG2 ILE 102 -2.600 7.676 -0.748 673 HG22 ILE 102 2HG2 ILE 102 -1.431 6.362 -0.860 674 HG23 ILE 102 3HG2 ILE 102 -2.852 6.369 -1.904 675 HD11 ILE 102 1HD1 ILE 102 -5.429 3.946 -1.702 676 HD12 ILE 102 2HD1 ILE 102 -5.213 5.691 -1.559 677 HD13 ILE 102 3HD1 ILE 102 -4.112 4.745 -2.560 678 H LEU 103 H LEU 103 -0.107 6.543 1.935 679 HA LEU 103 HA LEU 103 -1.266 9.004 3.048 680 HB2 LEU 103 1HB LEU 103 0.849 8.772 4.640 681 HB3 LEU 103 2HB LEU 103 -0.731 8.106 5.050 682 HG LEU 103 HG LEU 103 0.295 5.968 3.839 683 HD11 LEU 103 1HD1 LEU 103 2.401 7.067 3.270 684 HD12 LEU 103 2HD1 LEU 103 2.656 5.720 4.379 685 HD13 LEU 103 3HD1 LEU 103 2.704 7.378 4.980 686 HD21 LEU 103 1HD2 LEU 103 -0.595 6.063 6.115 687 HD22 LEU 103 2HD2 LEU 103 0.915 6.782 6.677 688 HD23 LEU 103 3HD2 LEU 103 0.903 5.134 6.047 689 H PHE 104 H PHE 104 -0.332 10.822 2.349 690 HA PHE 104 HA PHE 104 2.093 10.568 0.715 691 HB2 PHE 104 1HB PHE 104 -0.118 11.607 -0.154 692 HB3 PHE 104 2HB PHE 104 0.343 13.009 0.806 693 HD1 PHE 104 1HD PHE 104 2.041 10.665 -1.555 694 HD2 PHE 104 2HD PHE 104 1.320 14.694 -0.387 695 HE1 PHE 104 1HE PHE 104 3.469 11.451 -3.398 696 HE2 PHE 104 2HE PHE 104 2.747 15.486 -2.229 697 HZ PHE 104 HZ PHE 104 3.823 13.864 -3.737 698 H GLU 105 H GLU 105 3.908 10.986 1.785 699 HA GLU 105 HA GLU 105 5.457 12.014 3.096 700 HB2 GLU 105 1HB GLU 105 3.540 14.324 2.769 701 HB3 GLU 105 2HB GLU 105 5.101 14.464 3.565 702 HG2 GLU 105 1HG GLU 105 5.931 13.387 1.290 703 HG3 GLU 105 2HG GLU 105 4.453 14.141 0.695 704 H GLU 106 H GLU 106 3.724 10.360 4.421 705 HA GLU 106 HA GLU 106 3.178 9.775 6.555 706 HB2 GLU 106 1HB GLU 106 4.136 12.471 7.493 707 HB3 GLU 106 2HB GLU 106 4.073 10.964 8.395 708 HG2 GLU 106 1HG GLU 106 5.748 10.180 6.510 709 HG3 GLU 106 2HG GLU 106 6.065 11.911 6.413 710 H VAL 107 H VAL 107 1.409 11.297 4.744 711 HA VAL 107 HA VAL 107 -0.486 12.269 6.778 712 HB VAL 107 HB VAL 107 -0.315 13.439 4.008 713 HG11 VAL 107 1HG1 VAL 107 -2.068 14.689 4.595 714 HG12 VAL 107 2HG1 VAL 107 -2.272 13.572 5.947 715 HG13 VAL 107 3HG1 VAL 107 -1.371 15.072 6.168 716 HG21 VAL 107 1HG2 VAL 107 1.040 15.182 4.750 717 HG22 VAL 107 2HG2 VAL 107 0.754 14.811 6.450 718 HG23 VAL 107 3HG2 VAL 107 1.777 13.755 5.477 719 H HIS 108 H HIS 108 -2.132 10.896 6.850 720 HA HIS 108 HA HIS 108 -2.759 9.052 4.802 721 HB2 HIS 108 1HB HIS 108 -3.956 9.846 7.404 722 HB3 HIS 108 2HB HIS 108 -5.005 9.009 6.264 723 HD1 HIS 108 1HD HIS 108 -4.896 6.536 6.338 724 HD2 HIS 108 2HD HIS 108 -1.487 8.288 7.939 725 HE1 HIS 108 1HE HIS 108 -3.523 4.632 7.241 726 HE2 HIS 108 2HE HIS 108 -1.505 5.724 8.280 727 H ILE 109 H ILE 109 -3.889 9.313 2.999 728 HA ILE 109 HA ILE 109 -5.095 11.817 2.351 729 HB ILE 109 HB ILE 109 -5.635 10.858 0.221 730 HG12 ILE 109 1HG1 ILE 109 -4.774 8.150 1.231 731 HG13 ILE 109 2HG1 ILE 109 -6.455 8.671 1.266 732 HG21 ILE 109 1HG2 ILE 109 -3.002 9.668 1.069 733 HG22 ILE 109 2HG2 ILE 109 -3.470 10.207 -0.543 734 HG23 ILE 109 3HG2 ILE 109 -3.248 11.385 0.751 735 HD11 ILE 109 1HD1 ILE 109 -6.386 8.978 -1.168 736 HD12 ILE 109 2HD1 ILE 109 -4.724 8.385 -1.177 737 HD13 ILE 109 3HD1 ILE 109 -6.039 7.319 -0.682 738 HA PRO 110 HA PRO 110 -9.237 11.200 3.676 739 HB2 PRO 110 1HB PRO 110 -10.583 12.622 1.795 740 HB3 PRO 110 2HB PRO 110 -9.620 13.383 3.068 741 HG2 PRO 110 1HG PRO 110 -8.901 12.850 0.211 742 HG3 PRO 110 2HG PRO 110 -8.604 14.300 1.188 743 HD2 PRO 110 1HD PRO 110 -6.690 12.444 0.716 744 HD3 PRO 110 2HD PRO 110 -6.763 13.378 2.224 745 H GLY 111 H GLY 111 -9.081 8.866 3.105 746 HA2 GLY 111 1HA GLY 111 -11.266 7.872 1.837 747 HA3 GLY 111 2HA GLY 111 -10.094 8.028 0.538 748 H SER 112 H SER 112 -7.981 7.496 2.727 749 HA SER 112 HA SER 112 -8.167 4.573 2.515 750 HB2 SER 112 1HB SER 112 -6.104 4.976 1.640 751 HB3 SER 112 2HB SER 112 -5.934 6.515 2.484 752 HG SER 112 HG SER 112 -5.142 5.504 4.215 753 HA PRO 113 HA PRO 113 -6.596 2.995 3.425 754 HB2 PRO 113 1HB PRO 113 -7.544 0.759 4.637 755 HB3 PRO 113 2HB PRO 113 -6.074 1.588 5.165 756 HG2 PRO 113 1HG PRO 113 -8.844 1.741 6.291 757 HG3 PRO 113 2HG PRO 113 -7.294 1.625 7.144 758 HD2 PRO 113 1HD PRO 113 -8.624 3.965 6.852 759 HD3 PRO 113 2HD PRO 113 -6.852 3.875 6.908 760 H PHE 114 H PHE 114 -7.521 1.609 1.853 761 HA PHE 114 HA PHE 114 -10.411 2.015 1.497 762 HB2 PHE 114 1HB PHE 114 -8.161 1.589 -0.458 763 HB3 PHE 114 2HB PHE 114 -9.841 1.351 -0.926 764 HD1 PHE 114 1HD PHE 114 -7.413 3.836 0.321 765 HD2 PHE 114 2HD PHE 114 -11.245 3.179 -1.411 766 HE1 PHE 114 1HE PHE 114 -7.627 6.249 -0.113 767 HE2 PHE 114 2HE PHE 114 -11.465 5.590 -1.848 768 HZ PHE 114 HZ PHE 114 -9.654 7.128 -1.200 769 H LYS 115 H LYS 115 -11.211 0.286 2.654 770 HA LYS 115 HA LYS 115 -10.271 -2.312 2.721 771 HB2 LYS 115 1HB LYS 115 -12.081 -1.409 4.159 772 HB3 LYS 115 2HB LYS 115 -13.170 -1.453 2.778 773 HG2 LYS 115 1HG LYS 115 -13.300 -3.755 2.782 774 HG3 LYS 115 2HG LYS 115 -11.770 -3.943 3.642 775 HD2 LYS 115 1HD LYS 115 -13.452 -4.484 5.205 776 HD3 LYS 115 2HD LYS 115 -12.918 -2.856 5.627 777 HE2 LYS 115 1HE LYS 115 -14.842 -1.874 4.674 778 HE3 LYS 115 2HE LYS 115 -15.286 -3.366 3.846 779 HZ1 LYS 115 1HZ LYS 115 -16.640 -3.651 5.583 780 HZ2 LYS 115 2HZ LYS 115 -15.817 -2.539 6.557 781 HZ3 LYS 115 3HZ LYS 115 -15.253 -4.129 6.426 782 H ALA 116 H ALA 116 -9.997 -3.789 1.195 783 HA ALA 116 HA ALA 116 -11.714 -3.675 -1.199 784 HB1 ALA 116 1HB ALA 116 -9.846 -3.527 -2.388 785 HB2 ALA 116 2HB ALA 116 -8.856 -3.728 -0.942 786 HB3 ALA 116 3HB ALA 116 -9.414 -5.144 -1.833 787 H ASP 117 H ASP 117 -13.218 -5.209 -1.004 788 HA ASP 117 HA ASP 117 -12.819 -7.618 0.477 789 HB2 ASP 117 1HB ASP 117 -15.024 -6.474 -1.185 790 HB3 ASP 117 2HB ASP 117 -15.059 -8.194 -0.806 791 H ILE 118 H ILE 118 -11.596 -9.236 -0.215 792 HA ILE 118 HA ILE 118 -11.276 -9.694 -3.083 793 HB ILE 118 HB ILE 118 -9.814 -10.848 -0.708 794 HG12 ILE 118 1HG1 ILE 118 -9.340 -8.469 -1.329 795 HG13 ILE 118 2HG1 ILE 118 -7.944 -9.532 -1.467 796 HG21 ILE 118 1HG2 ILE 118 -9.136 -12.521 -1.996 797 HG22 ILE 118 2HG2 ILE 118 -10.095 -11.902 -3.340 798 HG23 ILE 118 3HG2 ILE 118 -8.432 -11.357 -3.119 799 HD11 ILE 118 1HD1 ILE 118 -7.673 -8.908 -3.566 800 HD12 ILE 118 2HD1 ILE 118 -9.289 -9.491 -3.967 801 HD13 ILE 118 3HD1 ILE 118 -9.061 -7.830 -3.419 802 H GLU 119 H GLU 119 -12.032 -11.446 -4.138 803 HA GLU 119 HA GLU 119 -13.586 -13.386 -2.560 804 HB2 GLU 119 1HB GLU 119 -13.915 -12.657 -5.475 805 HB3 GLU 119 2HB GLU 119 -14.938 -13.751 -4.554 806 HG2 GLU 119 1HG GLU 119 -15.783 -11.974 -3.224 807 HG3 GLU 119 2HG GLU 119 -14.591 -10.846 -3.868 808 H MET 120 H MET 120 -13.696 -15.596 -3.462 809 HA MET 120 HA MET 120 -11.036 -16.497 -4.156 810 HB2 MET 120 1HB MET 120 -13.599 -17.925 -3.466 811 HB3 MET 120 2HB MET 120 -12.160 -18.786 -3.997 812 HG2 MET 120 1HG MET 120 -10.914 -17.843 -2.109 813 HG3 MET 120 2HG MET 120 -12.376 -17.021 -1.570 814 HE1 MET 120 1HE MET 120 -10.105 -19.366 -0.951 815 HE2 MET 120 2HE MET 120 -10.898 -19.469 0.621 816 HE3 MET 120 3HE MET 120 -10.810 -20.893 -0.417 817 HA PRO 121 HA PRO 121 -11.776 -16.721 -8.504 818 HB2 PRO 121 1HB PRO 121 -9.703 -18.351 -9.149 819 HB3 PRO 121 2HB PRO 121 -9.491 -16.646 -8.733 820 HG2 PRO 121 1HG PRO 121 -9.108 -19.074 -7.024 821 HG3 PRO 121 2HG PRO 121 -8.094 -17.625 -7.152 822 HD2 PRO 121 1HD PRO 121 -9.846 -18.002 -5.123 823 HD3 PRO 121 2HD PRO 121 -9.461 -16.392 -5.765 824 H PHE 122 H PHE 122 -12.301 -18.268 -10.169 825 HA PHE 122 HA PHE 122 -13.782 -20.513 -9.131 826 HB2 PHE 122 1HB PHE 122 -14.656 -20.753 -11.357 827 HB3 PHE 122 2HB PHE 122 -14.620 -19.035 -10.976 828 HD1 PHE 122 1HD PHE 122 -12.893 -17.584 -11.984 829 HD2 PHE 122 2HD PHE 122 -13.369 -21.655 -13.130 830 HE1 PHE 122 1HE PHE 122 -11.591 -17.157 -14.027 831 HE2 PHE 122 2HE PHE 122 -12.067 -21.235 -15.175 832 HZ PHE 122 HZ PHE 122 -11.176 -18.985 -15.625 833 H ASP 123 H ASP 123 -13.062 -22.523 -8.950 834 HA ASP 123 HA ASP 123 -10.488 -23.362 -9.375 835 HB2 ASP 123 1HB ASP 123 -12.982 -25.069 -9.529 836 HB3 ASP 123 2HB ASP 123 -11.347 -25.667 -9.264 837 HA PRO 124 HA PRO 124 -10.045 -23.648 -13.759 838 HB2 PRO 124 1HB PRO 124 -7.781 -25.145 -13.801 839 HB3 PRO 124 2HB PRO 124 -7.790 -23.428 -13.382 840 HG2 PRO 124 1HG PRO 124 -7.724 -25.817 -11.580 841 HG3 PRO 124 2HG PRO 124 -6.801 -24.307 -11.470 842 HD2 PRO 124 1HD PRO 124 -9.000 -24.784 -9.962 843 HD3 PRO 124 2HD PRO 124 -8.557 -23.157 -10.516 844 H SER 125 H SER 125 -10.570 -25.051 -15.380 845 HA SER 125 HA SER 125 -11.570 -27.662 -14.561 846 HB2 SER 125 1HB SER 125 -11.908 -25.996 -17.052 847 HB3 SER 125 2HB SER 125 -12.443 -27.675 -16.975 848 HG SER 125 HG SER 125 -13.678 -27.016 -15.084 849 H SER 126 H SER 126 -9.801 -28.975 -14.350 850 HA SER 126 HA SER 126 -7.561 -29.066 -15.993 851 HB2 SER 126 1HB SER 126 -8.880 -31.217 -14.333 852 HB3 SER 126 2HB SER 126 -7.337 -31.452 -15.153 853 HG SER 126 HG SER 126 -7.289 -30.701 -12.884 854 H GLY 127 H GLY 127 -6.973 -31.102 -17.321 855 HA2 GLY 127 1HA GLY 127 -9.029 -32.454 -18.742 856 HA3 GLY 127 2HA GLY 127 -8.427 -31.097 -19.682 857 HA PRO 128 HA PRO 128 -4.836 -34.329 -19.081 858 HB2 PRO 128 1HB PRO 128 -5.690 -36.857 -18.583 859 HB3 PRO 128 2HB PRO 128 -5.284 -35.710 -17.301 860 HG2 PRO 128 1HG PRO 128 -7.969 -36.461 -18.391 861 HG3 PRO 128 2HG PRO 128 -7.472 -36.228 -16.705 862 HD2 PRO 128 1HD PRO 128 -8.816 -34.338 -18.102 863 HD3 PRO 128 2HD PRO 128 -7.631 -33.933 -16.844 864 H SER 129 H SER 129 -7.654 -34.317 -20.840 865 HA SER 129 HA SER 129 -7.405 -36.489 -22.582 866 HB2 SER 129 1HB SER 129 -8.719 -33.811 -22.735 867 HB3 SER 129 2HB SER 129 -8.562 -34.751 -24.219 868 HG SER 129 HG SER 129 -10.527 -35.147 -23.042 869 H SER 130 H SER 130 -5.195 -36.750 -23.057 870 HA SER 130 HA SER 130 -3.733 -34.671 -24.409 871 HB2 SER 130 1HB SER 130 -1.961 -36.409 -24.622 872 HB3 SER 130 2HB SER 130 -2.522 -36.202 -22.963 873 HG SER 130 HG SER 130 -2.378 -38.437 -24.212 874 H GLY 131 H GLY 131 -3.987 -34.196 -26.482 875 HA2 GLY 131 1HA GLY 131 -3.681 -35.894 -28.618 876 HA3 GLY 131 2HA GLY 131 -5.405 -35.919 -28.276 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -10.508 29.221 -24.049 2 HA2 GLY 1 1HA GLY 1 -10.272 30.979 -26.178 3 HA3 GLY 1 2HA GLY 1 -8.795 30.026 -26.171 4 H SER 2 H SER 2 -12.319 29.808 -26.319 5 HA SER 2 HA SER 2 -12.020 27.424 -28.003 6 HB2 SER 2 1HB SER 2 -13.766 27.696 -25.561 7 HB3 SER 2 2HB SER 2 -14.135 26.535 -26.836 8 HG SER 2 HG SER 2 -12.197 26.460 -24.903 9 H SER 3 H SER 3 -13.450 27.271 -29.677 10 HA SER 3 HA SER 3 -14.637 29.586 -30.670 11 HB2 SER 3 1HB SER 3 -15.665 28.161 -32.356 12 HB3 SER 3 2HB SER 3 -14.017 27.615 -32.049 13 HG SER 3 HG SER 3 -14.893 25.753 -31.661 14 H GLY 4 H GLY 4 -16.087 26.862 -28.920 15 HA2 GLY 4 1HA GLY 4 -17.837 27.461 -27.288 16 HA3 GLY 4 2HA GLY 4 -18.484 28.544 -28.512 17 H SER 5 H SER 5 -18.180 25.231 -27.472 18 HA SER 5 HA SER 5 -20.418 24.533 -29.234 19 HB2 SER 5 1HB SER 5 -18.004 23.760 -30.009 20 HB3 SER 5 2HB SER 5 -18.276 22.490 -28.815 21 HG SER 5 HG SER 5 -18.998 22.045 -31.030 22 H SER 6 H SER 6 -22.022 23.659 -28.116 23 HA SER 6 HA SER 6 -21.396 22.121 -25.690 24 HB2 SER 6 1HB SER 6 -22.160 24.453 -25.130 25 HB3 SER 6 2HB SER 6 -23.700 24.070 -25.899 26 HG SER 6 HG SER 6 -24.237 22.860 -24.244 27 H GLY 7 H GLY 7 -22.562 20.287 -25.401 28 HA2 GLY 7 1HA GLY 7 -25.110 19.777 -26.486 29 HA3 GLY 7 2HA GLY 7 -23.894 19.124 -27.573 30 H ASP 8 H ASP 8 -24.578 19.189 -24.073 31 HA ASP 8 HA ASP 8 -24.763 16.361 -23.894 32 HB2 ASP 8 1HB ASP 8 -22.741 15.739 -22.948 33 HB3 ASP 8 2HB ASP 8 -22.217 16.922 -24.144 34 H VAL 9 H VAL 9 -25.666 15.724 -21.979 35 HA VAL 9 HA VAL 9 -26.785 17.770 -20.328 36 HB VAL 9 HB VAL 9 -28.030 15.719 -20.806 37 HG11 VAL 9 1HG1 VAL 9 -25.813 14.391 -19.260 38 HG12 VAL 9 2HG1 VAL 9 -27.366 13.622 -19.594 39 HG13 VAL 9 3HG1 VAL 9 -26.304 14.085 -20.925 40 HG21 VAL 9 1HG2 VAL 9 -28.798 15.242 -18.530 41 HG22 VAL 9 2HG2 VAL 9 -27.365 16.037 -17.879 42 HG23 VAL 9 3HG2 VAL 9 -28.559 16.971 -18.780 43 H THR 10 H THR 10 -26.500 18.040 -18.067 44 HA THR 10 HA THR 10 -23.818 18.093 -17.221 45 HB THR 10 HB THR 10 -24.797 18.592 -14.940 46 HG1 THR 10 1HG THR 10 -27.113 19.004 -15.010 47 HG21 THR 10 1HG2 THR 10 -24.480 20.627 -15.820 48 HG22 THR 10 2HG2 THR 10 -26.207 20.617 -16.177 49 HG23 THR 10 3HG2 THR 10 -25.049 20.117 -17.408 50 H TYR 11 H TYR 11 -22.569 16.619 -16.267 51 HA TYR 11 HA TYR 11 -23.787 14.413 -14.789 52 HB2 TYR 11 1HB TYR 11 -23.414 13.721 -17.203 53 HB3 TYR 11 2HB TYR 11 -21.689 13.889 -16.896 54 HD1 TYR 11 1HD TYR 11 -24.556 12.359 -15.036 55 HD2 TYR 11 2HD TYR 11 -20.650 11.852 -16.646 56 HE1 TYR 11 1HE TYR 11 -24.497 10.063 -14.155 57 HE2 TYR 11 2HE TYR 11 -20.581 9.555 -15.770 58 HH TYR 11 HH TYR 11 -22.146 7.796 -15.088 59 H ASP 12 H ASP 12 -21.979 13.032 -13.771 60 HA ASP 12 HA ASP 12 -20.628 14.317 -11.864 61 HB2 ASP 12 1HB ASP 12 -19.504 11.973 -13.413 62 HB3 ASP 12 2HB ASP 12 -18.998 12.472 -11.801 63 H GLY 13 H GLY 13 -19.320 13.759 -15.123 64 HA2 GLY 13 1HA GLY 13 -18.107 16.125 -15.583 65 HA3 GLY 13 2HA GLY 13 -16.946 15.308 -14.547 66 H HIS 14 H HIS 14 -17.277 16.088 -17.572 67 HA HIS 14 HA HIS 14 -16.733 13.491 -18.783 68 HB2 HIS 14 1HB HIS 14 -16.929 16.230 -20.055 69 HB3 HIS 14 2HB HIS 14 -16.792 14.701 -20.918 70 HD1 HIS 14 1HD HIS 14 -18.961 13.946 -21.800 71 HD2 HIS 14 2HD HIS 14 -19.405 16.064 -18.254 72 HE1 HIS 14 1HE HIS 14 -21.436 14.005 -21.357 73 HE2 HIS 14 2HE HIS 14 -21.686 15.364 -19.252 74 HA PRO 15 HA PRO 15 -12.359 13.897 -18.749 75 HB2 PRO 15 1HB PRO 15 -11.726 12.490 -20.983 76 HB3 PRO 15 2HB PRO 15 -12.288 11.724 -19.493 77 HG2 PRO 15 1HG PRO 15 -13.821 12.385 -21.977 78 HG3 PRO 15 2HG PRO 15 -13.875 10.915 -20.988 79 HD2 PRO 15 1HD PRO 15 -15.749 12.861 -20.808 80 HD3 PRO 15 2HD PRO 15 -15.262 11.872 -19.416 81 H VAL 16 H VAL 16 -11.212 15.650 -19.236 82 HA VAL 16 HA VAL 16 -11.756 17.116 -21.694 83 HB VAL 16 HB VAL 16 -10.322 18.870 -20.743 84 HG11 VAL 16 1HG1 VAL 16 -12.406 17.829 -18.826 85 HG12 VAL 16 2HG1 VAL 16 -11.759 19.471 -18.848 86 HG13 VAL 16 3HG1 VAL 16 -12.697 18.873 -20.217 87 HG21 VAL 16 1HG2 VAL 16 -9.248 16.790 -19.240 88 HG22 VAL 16 2HG2 VAL 16 -8.866 18.506 -19.097 89 HG23 VAL 16 3HG2 VAL 16 -10.109 17.791 -18.070 90 HA PRO 17 HA PRO 17 -8.223 15.697 -23.889 91 HB2 PRO 17 1HB PRO 17 -7.709 17.873 -25.429 92 HB3 PRO 17 2HB PRO 17 -9.083 16.799 -25.713 93 HG2 PRO 17 1HG PRO 17 -9.005 19.445 -24.316 94 HG3 PRO 17 2HG PRO 17 -10.197 18.826 -25.474 95 HD2 PRO 17 1HD PRO 17 -10.629 18.832 -22.801 96 HD3 PRO 17 2HD PRO 17 -11.292 17.582 -23.873 97 H GLY 18 H GLY 18 -8.092 18.321 -21.717 98 HA2 GLY 18 1HA GLY 18 -6.342 19.539 -20.808 99 HA3 GLY 18 2HA GLY 18 -5.637 17.935 -20.676 100 H SER 19 H SER 19 -3.572 18.999 -20.879 101 HA SER 19 HA SER 19 -2.890 19.508 -23.695 102 HB2 SER 19 1HB SER 19 -2.114 21.127 -21.273 103 HB3 SER 19 2HB SER 19 -1.165 21.171 -22.759 104 HG SER 19 HG SER 19 -2.959 22.773 -22.439 105 HA PRO 20 HA PRO 20 0.235 16.473 -23.072 106 HB2 PRO 20 1HB PRO 20 1.922 17.169 -25.082 107 HB3 PRO 20 2HB PRO 20 0.373 16.364 -25.363 108 HG2 PRO 20 1HG PRO 20 1.067 19.267 -25.590 109 HG3 PRO 20 2HG PRO 20 0.086 18.263 -26.674 110 HD2 PRO 20 1HD PRO 20 -1.009 19.946 -24.857 111 HD3 PRO 20 2HD PRO 20 -1.782 18.420 -25.333 112 H TYR 21 H TYR 21 0.709 19.781 -22.582 113 HA TYR 21 HA TYR 21 3.441 19.335 -21.575 114 HB2 TYR 21 1HB TYR 21 2.832 21.145 -23.408 115 HB3 TYR 21 2HB TYR 21 2.359 22.087 -21.998 116 HD1 TYR 21 2HD TYR 21 5.227 19.964 -23.124 117 HD2 TYR 21 1HD TYR 21 3.954 23.475 -21.086 118 HE1 TYR 21 2HE TYR 21 7.576 20.604 -22.771 119 HE2 TYR 21 1HE TYR 21 6.299 24.125 -20.728 120 HH TYR 21 HH TYR 21 8.879 22.017 -21.174 121 H THR 22 H THR 22 1.117 18.594 -20.105 122 HA THR 22 HA THR 22 -0.001 20.250 -18.306 123 HB THR 22 HB THR 22 0.333 18.385 -16.564 124 HG1 THR 22 1HG THR 22 0.992 16.377 -17.730 125 HG21 THR 22 1HG2 THR 22 -1.509 17.341 -17.392 126 HG22 THR 22 2HG2 THR 22 -0.817 17.167 -19.006 127 HG23 THR 22 3HG2 THR 22 -1.494 18.714 -18.498 128 H VAL 23 H VAL 23 0.974 21.991 -17.447 129 HA VAL 23 HA VAL 23 3.649 22.245 -16.728 130 HB VAL 23 HB VAL 23 2.807 24.112 -15.197 131 HG11 VAL 23 1HG1 VAL 23 2.309 25.568 -17.068 132 HG12 VAL 23 2HG1 VAL 23 3.598 24.446 -17.508 133 HG13 VAL 23 3HG1 VAL 23 1.954 24.176 -18.090 134 HG21 VAL 23 1HG2 VAL 23 0.487 22.878 -15.133 135 HG22 VAL 23 2HG2 VAL 23 0.577 24.638 -15.068 136 HG23 VAL 23 3HG2 VAL 23 0.186 23.830 -16.587 137 H GLU 24 H GLU 24 4.807 21.370 -15.152 138 HA GLU 24 HA GLU 24 3.422 20.515 -12.695 139 HB2 GLU 24 1HB GLU 24 5.677 19.137 -14.158 140 HB3 GLU 24 2HB GLU 24 5.140 18.694 -12.544 141 HG2 GLU 24 1HG GLU 24 3.439 18.624 -15.026 142 HG3 GLU 24 2HG GLU 24 4.214 17.231 -14.273 143 H ALA 25 H ALA 25 4.575 23.057 -13.044 144 HA ALA 25 HA ALA 25 7.177 23.454 -12.289 145 HB1 ALA 25 1HB ALA 25 4.957 25.098 -11.115 146 HB2 ALA 25 2HB ALA 25 6.571 25.611 -11.608 147 HB3 ALA 25 3HB ALA 25 5.373 25.179 -12.827 148 H SER 26 H SER 26 7.788 24.443 -10.036 149 HA SER 26 HA SER 26 7.755 22.311 -8.181 150 HB2 SER 26 1HB SER 26 8.908 23.904 -6.665 151 HB3 SER 26 2HB SER 26 9.627 23.868 -8.275 152 HG SER 26 HG SER 26 7.964 25.719 -8.565 153 H LEU 27 H LEU 27 5.647 21.799 -7.629 154 HA LEU 27 HA LEU 27 4.144 23.857 -6.157 155 HB2 LEU 27 1HB LEU 27 3.104 21.273 -7.304 156 HB3 LEU 27 2HB LEU 27 2.153 22.580 -6.601 157 HG LEU 27 HG LEU 27 3.760 22.807 -9.145 158 HD11 LEU 27 1HD1 LEU 27 2.009 22.090 -10.334 159 HD12 LEU 27 2HD1 LEU 27 0.847 22.928 -9.307 160 HD13 LEU 27 3HD1 LEU 27 1.469 21.350 -8.827 161 HD21 LEU 27 1HD2 LEU 27 2.209 24.686 -7.488 162 HD22 LEU 27 2HD2 LEU 27 1.905 24.762 -9.224 163 HD23 LEU 27 3HD2 LEU 27 3.542 24.985 -8.604 164 HA PRO 28 HA PRO 28 4.821 21.685 -2.390 165 HB2 PRO 28 1HB PRO 28 2.672 22.568 -0.985 166 HB3 PRO 28 2HB PRO 28 4.075 23.584 -1.334 167 HG2 PRO 28 1HG PRO 28 1.425 23.473 -2.721 168 HG3 PRO 28 2HG PRO 28 2.389 24.889 -2.262 169 HD2 PRO 28 1HD PRO 28 2.349 23.910 -4.786 170 HD3 PRO 28 2HD PRO 28 3.783 24.688 -4.086 171 HA PRO 29 HA PRO 29 2.432 17.978 -2.606 172 HB2 PRO 29 1HB PRO 29 3.001 16.969 -0.151 173 HB3 PRO 29 2HB PRO 29 4.166 16.976 -1.480 174 HG2 PRO 29 1HG PRO 29 3.923 18.858 0.835 175 HG3 PRO 29 2HG PRO 29 5.380 18.135 0.129 176 HD2 PRO 29 1HD PRO 29 4.605 20.672 -0.411 177 HD3 PRO 29 2HD PRO 29 5.453 19.660 -1.598 178 H ASP 30 H ASP 30 0.446 17.201 -2.006 179 HA ASP 30 HA ASP 30 -0.877 18.207 0.369 180 HB2 ASP 30 1HB ASP 30 -1.222 19.822 -1.666 181 HB3 ASP 30 2HB ASP 30 -2.353 18.587 -2.212 182 HA PRO 31 HA PRO 31 -2.257 13.988 0.022 183 HB2 PRO 31 1HB PRO 31 -3.683 13.971 2.332 184 HB3 PRO 31 2HB PRO 31 -1.919 13.856 2.290 185 HG2 PRO 31 1HG PRO 31 -3.649 16.241 2.820 186 HG3 PRO 31 2HG PRO 31 -2.171 15.724 3.652 187 HD2 PRO 31 1HD PRO 31 -2.183 17.687 1.786 188 HD3 PRO 31 2HD PRO 31 -0.797 16.602 2.023 189 H SER 32 H SER 32 -4.505 16.577 0.988 190 HA SER 32 HA SER 32 -6.895 15.288 0.416 191 HB2 SER 32 1HB SER 32 -6.794 17.436 1.593 192 HB3 SER 32 2HB SER 32 -6.248 18.232 0.117 193 HG SER 32 HG SER 32 -8.733 16.898 0.453 194 H LYS 33 H LYS 33 -4.450 16.246 -1.715 195 HA LYS 33 HA LYS 33 -6.235 16.425 -4.021 196 HB2 LYS 33 1HB LYS 33 -3.238 16.770 -3.813 197 HB3 LYS 33 2HB LYS 33 -4.184 17.006 -5.277 198 HG2 LYS 33 1HG LYS 33 -4.703 18.564 -2.765 199 HG3 LYS 33 2HG LYS 33 -3.532 19.081 -3.980 200 HD2 LYS 33 1HD LYS 33 -5.180 19.411 -5.600 201 HD3 LYS 33 2HD LYS 33 -6.355 18.411 -4.741 202 HE2 LYS 33 1HE LYS 33 -6.027 20.267 -2.884 203 HE3 LYS 33 2HE LYS 33 -5.554 21.238 -4.278 204 HZ1 LYS 33 1HZ LYS 33 -7.741 21.605 -4.447 205 HZ2 LYS 33 2HZ LYS 33 -8.162 20.261 -3.510 206 HZ3 LYS 33 3HZ LYS 33 -7.805 20.069 -5.153 207 H VAL 34 H VAL 34 -4.149 14.203 -2.426 208 HA VAL 34 HA VAL 34 -3.611 12.506 -4.655 209 HB VAL 34 HB VAL 34 -3.484 11.979 -1.685 210 HG11 VAL 34 1HG1 VAL 34 -2.620 10.249 -3.997 211 HG12 VAL 34 2HG1 VAL 34 -2.133 9.986 -2.321 212 HG13 VAL 34 3HG1 VAL 34 -3.834 9.872 -2.776 213 HG21 VAL 34 1HG2 VAL 34 -1.316 12.489 -3.720 214 HG22 VAL 34 2HG2 VAL 34 -1.890 13.642 -2.516 215 HG23 VAL 34 3HG2 VAL 34 -1.072 12.167 -2.003 216 H LYS 35 H LYS 35 -5.156 11.457 -5.714 217 HA LYS 35 HA LYS 35 -7.409 10.338 -4.183 218 HB2 LYS 35 1HB LYS 35 -7.189 11.498 -6.922 219 HB3 LYS 35 2HB LYS 35 -8.358 10.210 -6.662 220 HG2 LYS 35 1HG LYS 35 -8.263 12.669 -4.941 221 HG3 LYS 35 2HG LYS 35 -9.204 12.582 -6.432 222 HD2 LYS 35 1HD LYS 35 -10.639 10.958 -5.574 223 HD3 LYS 35 2HD LYS 35 -9.506 10.494 -4.302 224 HE2 LYS 35 1HE LYS 35 -11.177 11.705 -3.195 225 HE3 LYS 35 2HE LYS 35 -9.848 12.848 -3.378 226 HZ1 LYS 35 1HZ LYS 35 -10.983 13.740 -5.348 227 HZ2 LYS 35 2HZ LYS 35 -11.911 13.907 -3.944 228 HZ3 LYS 35 3HZ LYS 35 -12.286 12.698 -5.066 229 H ALA 36 H ALA 36 -7.980 8.205 -4.438 230 HA ALA 36 HA ALA 36 -6.204 6.558 -6.115 231 HB1 ALA 36 1HB ALA 36 -6.716 4.808 -4.195 232 HB2 ALA 36 2HB ALA 36 -5.376 5.950 -4.081 233 HB3 ALA 36 3HB ALA 36 -6.891 6.281 -3.240 234 H HIS 37 H HIS 37 -7.466 5.896 -7.742 235 HA HIS 37 HA HIS 37 -10.004 4.582 -7.055 236 HB2 HIS 37 1HB HIS 37 -10.966 5.484 -9.180 237 HB3 HIS 37 2HB HIS 37 -10.632 6.719 -7.970 238 HD1 HIS 37 1HD HIS 37 -9.710 5.622 -11.384 239 HD2 HIS 37 2HD HIS 37 -8.448 8.431 -8.595 240 HE1 HIS 37 1HE HIS 37 -8.223 7.205 -12.651 241 HE2 HIS 37 2HE HIS 37 -7.403 8.846 -10.925 242 H GLY 38 H GLY 38 -10.259 2.611 -7.921 243 HA2 GLY 38 1HA GLY 38 -9.518 1.704 -10.407 244 HA3 GLY 38 2HA GLY 38 -8.106 1.438 -9.395 245 HA PRO 39 HA PRO 39 -11.208 -2.112 -9.072 246 HB2 PRO 39 1HB PRO 39 -9.657 -4.015 -10.232 247 HB3 PRO 39 2HB PRO 39 -10.774 -2.996 -11.148 248 HG2 PRO 39 1HG PRO 39 -7.815 -2.719 -10.793 249 HG3 PRO 39 2HG PRO 39 -8.789 -2.524 -12.262 250 HD2 PRO 39 1HD PRO 39 -7.906 -0.416 -10.810 251 HD3 PRO 39 2HD PRO 39 -9.444 -0.388 -11.696 252 H GLY 40 H GLY 40 -7.705 -1.907 -8.630 253 HA2 GLY 40 1HA GLY 40 -7.425 -4.072 -6.847 254 HA3 GLY 40 2HA GLY 40 -6.322 -2.710 -6.983 255 H LEU 41 H LEU 41 -9.101 -1.216 -6.406 256 HA LEU 41 HA LEU 41 -8.623 -1.165 -3.513 257 HB2 LEU 41 1HB LEU 41 -10.299 0.779 -5.071 258 HB3 LEU 41 2HB LEU 41 -9.574 0.991 -3.479 259 HG LEU 41 HG LEU 41 -7.947 0.752 -6.002 260 HD11 LEU 41 1HD1 LEU 41 -8.019 3.404 -4.931 261 HD12 LEU 41 2HD1 LEU 41 -9.658 2.869 -5.304 262 HD13 LEU 41 3HD1 LEU 41 -8.417 2.845 -6.556 263 HD21 LEU 41 1HD2 LEU 41 -6.444 2.166 -4.340 264 HD22 LEU 41 2HD2 LEU 41 -6.451 0.402 -4.320 265 HD23 LEU 41 3HD2 LEU 41 -7.401 1.302 -3.136 266 H GLU 42 H GLU 42 -11.189 -1.520 -5.915 267 HA GLU 42 HA GLU 42 -13.288 -1.806 -4.004 268 HB2 GLU 42 1HB GLU 42 -14.691 -2.348 -5.853 269 HB3 GLU 42 2HB GLU 42 -13.582 -1.100 -6.401 270 HG2 GLU 42 1HG GLU 42 -12.186 -2.848 -7.445 271 HG3 GLU 42 2HG GLU 42 -13.386 -4.048 -6.968 272 H GLY 43 H GLY 43 -11.096 -4.008 -5.625 273 HA2 GLY 43 1HA GLY 43 -10.933 -6.018 -3.898 274 HA3 GLY 43 2HA GLY 43 -12.512 -6.342 -4.598 275 H GLY 44 H GLY 44 -11.181 -8.390 -5.054 276 HA2 GLY 44 1HA GLY 44 -10.663 -8.472 -7.841 277 HA3 GLY 44 2HA GLY 44 -9.149 -8.484 -6.949 278 H LEU 45 H LEU 45 -8.494 -10.541 -7.355 279 HA LEU 45 HA LEU 45 -10.109 -12.663 -6.135 280 HB2 LEU 45 1HB LEU 45 -8.862 -12.732 -8.875 281 HB3 LEU 45 2HB LEU 45 -9.424 -14.169 -8.023 282 HG LEU 45 HG LEU 45 -11.234 -11.861 -8.702 283 HD11 LEU 45 1HD1 LEU 45 -9.993 -13.497 -10.557 284 HD12 LEU 45 2HD1 LEU 45 -11.461 -12.551 -10.803 285 HD13 LEU 45 3HD1 LEU 45 -11.573 -14.242 -10.314 286 HD21 LEU 45 1HD2 LEU 45 -12.111 -14.681 -8.366 287 HD22 LEU 45 2HD2 LEU 45 -12.959 -13.179 -7.997 288 HD23 LEU 45 3HD2 LEU 45 -11.687 -13.761 -6.922 289 H VAL 46 H VAL 46 -8.946 -14.327 -5.197 290 HA VAL 46 HA VAL 46 -6.363 -13.714 -4.257 291 HB VAL 46 HB VAL 46 -7.704 -16.421 -4.276 292 HG11 VAL 46 1HG1 VAL 46 -5.675 -17.022 -3.513 293 HG12 VAL 46 2HG1 VAL 46 -5.223 -15.366 -3.105 294 HG13 VAL 46 3HG1 VAL 46 -6.235 -16.303 -2.004 295 HG21 VAL 46 1HG2 VAL 46 -9.177 -14.808 -3.257 296 HG22 VAL 46 2HG2 VAL 46 -8.459 -15.810 -1.996 297 HG23 VAL 46 3HG2 VAL 46 -7.860 -14.174 -2.270 298 H GLY 47 H GLY 47 -4.344 -14.464 -4.804 299 HA2 GLY 47 1HA GLY 47 -2.698 -15.497 -6.050 300 HA3 GLY 47 2HA GLY 47 -3.944 -16.490 -6.792 301 H LYS 48 H LYS 48 -5.135 -13.551 -7.250 302 HA LYS 48 HA LYS 48 -3.793 -13.250 -9.852 303 HB2 LYS 48 1HB LYS 48 -6.604 -12.874 -8.941 304 HB3 LYS 48 2HB LYS 48 -6.013 -11.826 -10.223 305 HG2 LYS 48 1HG LYS 48 -5.216 -14.112 -11.261 306 HG3 LYS 48 2HG LYS 48 -6.503 -14.755 -10.238 307 HD2 LYS 48 1HD LYS 48 -8.159 -13.607 -11.379 308 HD3 LYS 48 2HD LYS 48 -7.033 -12.398 -12.001 309 HE2 LYS 48 1HE LYS 48 -6.058 -14.056 -13.494 310 HE3 LYS 48 2HE LYS 48 -7.133 -15.293 -12.845 311 HZ1 LYS 48 1HZ LYS 48 -8.994 -14.258 -13.795 312 HZ2 LYS 48 2HZ LYS 48 -7.817 -14.230 -15.010 313 HZ3 LYS 48 3HZ LYS 48 -8.153 -12.827 -14.126 314 HA PRO 49 HA PRO 49 -2.233 -9.309 -8.685 315 HB2 PRO 49 1HB PRO 49 -2.116 -8.106 -11.116 316 HB3 PRO 49 2HB PRO 49 -0.995 -9.380 -10.620 317 HG2 PRO 49 1HG PRO 49 -3.442 -9.572 -12.334 318 HG3 PRO 49 2HG PRO 49 -1.855 -10.330 -12.560 319 HD2 PRO 49 1HD PRO 49 -3.978 -11.670 -11.545 320 HD3 PRO 49 2HD PRO 49 -2.307 -12.018 -11.057 321 H ALA 50 H ALA 50 -2.877 -7.209 -8.261 322 HA ALA 50 HA ALA 50 -5.348 -6.203 -9.424 323 HB1 ALA 50 1HB ALA 50 -5.361 -7.508 -6.931 324 HB2 ALA 50 2HB ALA 50 -5.537 -5.783 -6.602 325 HB3 ALA 50 3HB ALA 50 -6.668 -6.595 -7.686 326 H GLU 51 H GLU 51 -4.894 -4.198 -10.031 327 HA GLU 51 HA GLU 51 -3.291 -2.510 -8.232 328 HB2 GLU 51 1HB GLU 51 -2.583 -1.436 -10.562 329 HB3 GLU 51 2HB GLU 51 -1.690 -2.765 -9.837 330 HG2 GLU 51 1HG GLU 51 -2.660 -4.345 -11.283 331 HG3 GLU 51 2HG GLU 51 -3.903 -3.213 -11.811 332 H PHE 52 H PHE 52 -3.546 -0.148 -8.757 333 HA PHE 52 HA PHE 52 -6.149 0.500 -9.930 334 HB2 PHE 52 1HB PHE 52 -6.519 2.076 -7.946 335 HB3 PHE 52 2HB PHE 52 -6.767 0.357 -7.658 336 HD1 PHE 52 1HD PHE 52 -4.969 -0.952 -6.503 337 HD2 PHE 52 2HD PHE 52 -4.927 3.298 -6.732 338 HE1 PHE 52 1HE PHE 52 -3.369 -0.871 -4.635 339 HE2 PHE 52 2HE PHE 52 -3.327 3.386 -4.865 340 HZ PHE 52 HZ PHE 52 -2.545 1.300 -3.815 341 H THR 53 H THR 53 -6.404 3.026 -9.850 342 HA THR 53 HA THR 53 -3.893 4.125 -10.911 343 HB THR 53 HB THR 53 -6.635 5.313 -11.308 344 HG1 THR 53 1HG THR 53 -5.378 3.674 -13.233 345 HG21 THR 53 1HG2 THR 53 -5.111 5.802 -13.535 346 HG22 THR 53 2HG2 THR 53 -3.920 5.882 -12.237 347 HG23 THR 53 3HG2 THR 53 -5.343 6.922 -12.193 348 H ILE 54 H ILE 54 -2.840 5.605 -9.771 349 HA ILE 54 HA ILE 54 -4.287 7.023 -7.635 350 HB ILE 54 HB ILE 54 -1.317 6.521 -7.867 351 HG12 ILE 54 1HG1 ILE 54 -3.321 5.281 -5.971 352 HG13 ILE 54 2HG1 ILE 54 -2.701 4.486 -7.414 353 HG21 ILE 54 1HG2 ILE 54 -2.956 7.741 -5.650 354 HG22 ILE 54 2HG2 ILE 54 -1.239 7.353 -5.553 355 HG23 ILE 54 3HG2 ILE 54 -1.803 8.581 -6.687 356 HD11 ILE 54 1HD1 ILE 54 -1.340 3.604 -5.809 357 HD12 ILE 54 2HD1 ILE 54 -0.381 4.995 -6.316 358 HD13 ILE 54 3HD1 ILE 54 -1.342 5.077 -4.840 359 H ASP 55 H ASP 55 -4.297 9.208 -7.560 360 HA ASP 55 HA ASP 55 -3.004 10.612 -9.797 361 HB2 ASP 55 1HB ASP 55 -5.296 11.575 -8.076 362 HB3 ASP 55 2HB ASP 55 -4.689 12.329 -9.547 363 H THR 56 H THR 56 -1.043 11.245 -9.092 364 HA THR 56 HA THR 56 -0.832 12.517 -6.456 365 HB THR 56 HB THR 56 1.650 12.353 -6.856 366 HG1 THR 56 1HG THR 56 2.177 10.745 -8.540 367 HG21 THR 56 1HG2 THR 56 1.305 9.612 -6.960 368 HG22 THR 56 2HG2 THR 56 -0.239 10.200 -6.342 369 HG23 THR 56 3HG2 THR 56 1.260 10.610 -5.508 370 H LYS 57 H LYS 57 -0.718 13.170 -9.845 371 HA LYS 57 HA LYS 57 0.829 15.437 -10.030 372 HB2 LYS 57 1HB LYS 57 -1.795 15.427 -11.449 373 HB3 LYS 57 2HB LYS 57 -0.195 15.833 -12.056 374 HG2 LYS 57 1HG LYS 57 -0.483 13.856 -13.120 375 HG3 LYS 57 2HG LYS 57 0.214 13.250 -11.615 376 HD2 LYS 57 1HD LYS 57 -1.615 11.884 -11.786 377 HD3 LYS 57 2HD LYS 57 -2.316 13.216 -10.863 378 HE2 LYS 57 1HE LYS 57 -3.372 14.112 -12.773 379 HE3 LYS 57 2HE LYS 57 -2.417 13.112 -13.866 380 HZ1 LYS 57 1HZ LYS 57 -4.882 12.501 -13.205 381 HZ2 LYS 57 2HZ LYS 57 -4.099 11.737 -11.916 382 HZ3 LYS 57 3HZ LYS 57 -3.719 11.310 -13.508 383 H GLY 58 H GLY 58 -2.670 15.336 -9.322 384 HA2 GLY 58 1HA GLY 58 -3.078 18.049 -8.923 385 HA3 GLY 58 2HA GLY 58 -4.005 16.780 -8.138 386 H ALA 59 H ALA 59 -1.178 15.951 -7.053 387 HA ALA 59 HA ALA 59 -1.472 17.471 -4.593 388 HB1 ALA 59 1HB ALA 59 -0.740 15.624 -3.600 389 HB2 ALA 59 2HB ALA 59 -0.740 14.846 -5.183 390 HB3 ALA 59 3HB ALA 59 0.728 15.611 -4.578 391 H GLY 60 H GLY 60 1.149 16.705 -6.890 392 HA2 GLY 60 1HA GLY 60 2.389 18.807 -7.590 393 HA3 GLY 60 2HA GLY 60 2.597 19.064 -5.864 394 H THR 61 H THR 61 4.044 17.776 -4.704 395 HA THR 61 HA THR 61 5.510 15.664 -5.988 396 HB THR 61 HB THR 61 6.934 18.266 -5.397 397 HG1 THR 61 1HG THR 61 7.340 18.227 -7.637 398 HG21 THR 61 1HG2 THR 61 8.348 16.444 -4.721 399 HG22 THR 61 2HG2 THR 61 8.937 17.053 -6.268 400 HG23 THR 61 3HG2 THR 61 7.999 15.561 -6.206 401 H GLY 62 H GLY 62 5.892 14.226 -4.442 402 HA2 GLY 62 1HA GLY 62 7.206 14.786 -2.023 403 HA3 GLY 62 2HA GLY 62 5.478 14.722 -1.709 404 H GLY 63 H GLY 63 6.460 12.922 -0.298 405 HA2 GLY 63 1HA GLY 63 6.782 10.442 -1.848 406 HA3 GLY 63 2HA GLY 63 7.269 10.670 -0.175 407 H LEU 64 H LEU 64 5.581 8.593 -1.407 408 HA LEU 64 HA LEU 64 3.221 8.961 0.309 409 HB2 LEU 64 1HB LEU 64 2.606 9.274 -2.051 410 HB3 LEU 64 2HB LEU 64 3.247 7.673 -2.418 411 HG LEU 64 HG LEU 64 1.507 6.762 -0.814 412 HD11 LEU 64 1HD1 LEU 64 -0.227 9.064 -1.228 413 HD12 LEU 64 2HD1 LEU 64 1.145 9.407 -0.174 414 HD13 LEU 64 3HD1 LEU 64 0.041 8.088 0.217 415 HD21 LEU 64 1HD2 LEU 64 -0.340 7.609 -2.660 416 HD22 LEU 64 2HD2 LEU 64 0.744 6.229 -2.845 417 HD23 LEU 64 3HD2 LEU 64 1.188 7.798 -3.520 418 H GLY 65 H GLY 65 2.787 7.307 1.647 419 HA2 GLY 65 1HA GLY 65 4.460 4.897 1.376 420 HA3 GLY 65 2HA GLY 65 3.774 5.490 2.881 421 H LEU 66 H LEU 66 3.512 3.141 0.605 422 HA LEU 66 HA LEU 66 0.626 2.784 1.069 423 HB2 LEU 66 1HB LEU 66 1.594 2.992 -1.310 424 HB3 LEU 66 2HB LEU 66 2.200 1.358 -1.046 425 HG LEU 66 HG LEU 66 -0.168 0.645 -0.630 426 HD11 LEU 66 1HD1 LEU 66 -0.653 3.494 -1.425 427 HD12 LEU 66 2HD1 LEU 66 -1.312 2.594 -0.059 428 HD13 LEU 66 3HD1 LEU 66 -1.866 2.242 -1.696 429 HD21 LEU 66 1HD2 LEU 66 -0.202 1.787 -3.346 430 HD22 LEU 66 2HD2 LEU 66 -0.400 0.118 -2.810 431 HD23 LEU 66 3HD2 LEU 66 1.214 0.820 -2.935 432 H THR 67 H THR 67 0.142 1.314 2.546 433 HA THR 67 HA THR 67 1.793 -1.112 2.726 434 HB THR 67 HB THR 67 1.238 -1.013 5.262 435 HG1 THR 67 1HG THR 67 0.422 0.808 5.960 436 HG21 THR 67 1HG2 THR 67 3.450 -0.328 3.776 437 HG22 THR 67 2HG2 THR 67 3.406 -0.505 5.530 438 HG23 THR 67 3HG2 THR 67 3.211 1.088 4.799 439 H VAL 68 H VAL 68 0.676 -2.974 2.853 440 HA VAL 68 HA VAL 68 -2.237 -2.806 2.788 441 HB VAL 68 HB VAL 68 -0.365 -5.109 2.228 442 HG11 VAL 68 1HG1 VAL 68 -2.745 -5.873 1.196 443 HG12 VAL 68 2HG1 VAL 68 -2.154 -6.359 2.786 444 HG13 VAL 68 3HG1 VAL 68 -3.277 -5.007 2.636 445 HG21 VAL 68 1HG2 VAL 68 -0.714 -3.043 0.632 446 HG22 VAL 68 2HG2 VAL 68 -0.631 -4.684 -0.008 447 HG23 VAL 68 3HG2 VAL 68 -2.196 -3.903 0.214 448 H GLU 69 H GLU 69 -3.281 -2.930 4.659 449 HA GLU 69 HA GLU 69 -2.141 -4.551 6.826 450 HB2 GLU 69 1HB GLU 69 -4.047 -2.231 6.774 451 HB3 GLU 69 2HB GLU 69 -3.978 -3.299 8.169 452 HG2 GLU 69 1HG GLU 69 -1.487 -2.046 7.096 453 HG3 GLU 69 2HG GLU 69 -2.567 -1.140 8.154 454 H GLY 70 H GLY 70 -2.940 -6.432 5.492 455 HA2 GLY 70 1HA GLY 70 -5.813 -6.909 5.979 456 HA3 GLY 70 2HA GLY 70 -4.886 -7.665 4.692 457 HA PRO 71 HA PRO 71 -5.186 -10.581 8.321 458 HB2 PRO 71 1HB PRO 71 -6.130 -12.682 6.885 459 HB3 PRO 71 2HB PRO 71 -7.184 -11.461 7.606 460 HG2 PRO 71 1HG PRO 71 -6.219 -11.701 4.783 461 HG3 PRO 71 2HG PRO 71 -7.839 -11.298 5.381 462 HD2 PRO 71 1HD PRO 71 -6.102 -9.417 4.499 463 HD3 PRO 71 2HD PRO 71 -7.278 -9.100 5.791 464 H CYS 72 H CYS 72 -3.627 -10.425 5.287 465 HA CYS 72 HA CYS 72 -1.518 -12.185 6.256 466 HB2 CYS 72 1HB CYS 72 -3.271 -13.394 4.703 467 HB3 CYS 72 2HB CYS 72 -2.394 -12.569 3.421 468 HG CYS 72 HG CYS 72 -0.490 -14.275 3.252 469 H GLU 73 H GLU 73 0.514 -11.824 5.272 470 HA GLU 73 HA GLU 73 0.896 -9.125 4.394 471 HB2 GLU 73 1HB GLU 73 2.543 -10.180 5.834 472 HB3 GLU 73 2HB GLU 73 2.830 -11.435 4.637 473 HG2 GLU 73 1HG GLU 73 3.604 -9.632 3.076 474 HG3 GLU 73 2HG GLU 73 3.523 -8.518 4.440 475 H ALA 74 H ALA 74 0.164 -8.664 2.396 476 HA ALA 74 HA ALA 74 0.763 -10.496 0.192 477 HB1 ALA 74 1HB ALA 74 -1.146 -9.815 -0.732 478 HB2 ALA 74 2HB ALA 74 -1.484 -9.002 0.797 479 HB3 ALA 74 3HB ALA 74 -0.728 -8.114 -0.526 480 H LYS 75 H LYS 75 2.163 -10.030 -1.411 481 HA LYS 75 HA LYS 75 4.139 -8.069 -1.045 482 HB2 LYS 75 1HB LYS 75 4.062 -10.283 -2.499 483 HB3 LYS 75 2HB LYS 75 3.601 -9.160 -3.771 484 HG2 LYS 75 1HG LYS 75 5.638 -7.937 -3.526 485 HG3 LYS 75 2HG LYS 75 6.075 -8.859 -2.086 486 HD2 LYS 75 1HD LYS 75 7.321 -9.971 -3.646 487 HD3 LYS 75 2HD LYS 75 5.822 -10.897 -3.755 488 HE2 LYS 75 1HE LYS 75 6.166 -10.487 -5.970 489 HE3 LYS 75 2HE LYS 75 5.241 -9.045 -5.555 490 HZ1 LYS 75 1HZ LYS 75 8.146 -9.302 -6.006 491 HZ2 LYS 75 2HZ LYS 75 7.519 -8.006 -5.117 492 HZ3 LYS 75 3HZ LYS 75 7.051 -8.232 -6.727 493 H ILE 76 H ILE 76 4.606 -6.174 -2.229 494 HA ILE 76 HA ILE 76 2.377 -5.032 -3.764 495 HB ILE 76 HB ILE 76 3.927 -3.454 -1.713 496 HG12 ILE 76 1HG1 ILE 76 1.050 -4.280 -1.421 497 HG13 ILE 76 2HG1 ILE 76 2.349 -5.322 -0.849 498 HG21 ILE 76 1HG2 ILE 76 2.153 -2.756 -3.856 499 HG22 ILE 76 2HG2 ILE 76 1.454 -2.274 -2.311 500 HG23 ILE 76 3HG2 ILE 76 3.059 -1.704 -2.769 501 HD11 ILE 76 1HD1 ILE 76 1.448 -2.678 0.168 502 HD12 ILE 76 2HD1 ILE 76 1.847 -4.154 1.048 503 HD13 ILE 76 3HD1 ILE 76 3.134 -3.151 0.378 504 H GLU 77 H GLU 77 3.161 -4.686 -5.733 505 HA GLU 77 HA GLU 77 5.942 -3.772 -6.012 506 HB2 GLU 77 1HB GLU 77 4.142 -5.429 -7.709 507 HB3 GLU 77 2HB GLU 77 5.323 -4.412 -8.523 508 HG2 GLU 77 1HG GLU 77 7.052 -5.481 -6.989 509 HG3 GLU 77 2HG GLU 77 5.806 -6.670 -6.613 510 H CYS 78 H CYS 78 5.944 -1.602 -5.993 511 HA CYS 78 HA CYS 78 3.851 -0.132 -7.396 512 HB2 CYS 78 1HB CYS 78 4.703 1.833 -6.296 513 HB3 CYS 78 2HB CYS 78 4.576 0.547 -5.102 514 HG CYS 78 HG CYS 78 7.165 2.372 -5.855 515 H SER 79 H SER 79 4.101 0.521 -9.418 516 HA SER 79 HA SER 79 6.794 1.166 -10.392 517 HB2 SER 79 1HB SER 79 6.159 -1.152 -11.113 518 HB3 SER 79 2HB SER 79 4.795 -0.453 -11.987 519 HG SER 79 HG SER 79 6.425 -0.606 -13.450 520 H ASP 80 H ASP 80 6.699 3.255 -10.871 521 HA ASP 80 HA ASP 80 4.387 4.734 -11.374 522 HB2 ASP 80 1HB ASP 80 6.067 6.398 -12.426 523 HB3 ASP 80 2HB ASP 80 6.247 5.993 -10.721 524 H ASN 81 H ASN 81 3.586 5.696 -13.301 525 HA ASN 81 HA ASN 81 3.672 3.900 -15.561 526 HB2 ASN 81 1HB ASN 81 2.105 6.416 -14.985 527 HB3 ASN 81 2HB ASN 81 1.990 5.550 -16.514 528 HD21 ASN 81 1HD2 ASN 81 0.728 5.866 -13.463 529 HD22 ASN 81 2HD2 ASN 81 -0.154 4.383 -13.377 530 H GLY 82 H GLY 82 4.351 7.361 -15.032 531 HA2 GLY 82 1HA GLY 82 6.527 8.122 -15.992 532 HA3 GLY 82 2HA GLY 82 6.042 7.277 -17.454 533 H ASP 83 H ASP 83 3.322 8.612 -16.132 534 HA ASP 83 HA ASP 83 3.595 11.034 -17.789 535 HB2 ASP 83 1HB ASP 83 1.992 9.689 -18.875 536 HB3 ASP 83 2HB ASP 83 1.251 9.195 -17.355 537 H GLY 84 H GLY 84 3.083 9.817 -14.673 538 HA2 GLY 84 1HA GLY 84 3.321 11.792 -13.048 539 HA3 GLY 84 2HA GLY 84 1.813 12.320 -13.780 540 H THR 85 H THR 85 1.213 9.272 -13.959 541 HA THR 85 HA THR 85 0.008 9.144 -11.288 542 HB THR 85 HB THR 85 -1.496 7.444 -12.218 543 HG1 THR 85 1HG THR 85 -1.148 6.579 -14.138 544 HG21 THR 85 1HG2 THR 85 -1.867 9.980 -12.478 545 HG22 THR 85 2HG2 THR 85 -2.849 8.893 -13.460 546 HG23 THR 85 3HG2 THR 85 -1.466 9.720 -14.175 547 H CYS 86 H CYS 86 -0.234 6.883 -10.381 548 HA CYS 86 HA CYS 86 2.245 5.353 -10.825 549 HB2 CYS 86 1HB CYS 86 0.905 6.227 -8.304 550 HB3 CYS 86 2HB CYS 86 1.744 4.681 -8.310 551 HG CYS 86 HG CYS 86 2.979 7.733 -8.089 552 H SER 87 H SER 87 2.127 3.110 -10.743 553 HA SER 87 HA SER 87 -0.591 1.976 -10.677 554 HB2 SER 87 1HB SER 87 -0.018 1.957 -12.974 555 HB3 SER 87 2HB SER 87 1.639 1.456 -12.640 556 HG SER 87 HG SER 87 0.818 -0.561 -11.966 557 H VAL 88 H VAL 88 -0.421 1.193 -8.596 558 HA VAL 88 HA VAL 88 1.798 -0.610 -7.968 559 HB VAL 88 HB VAL 88 -0.414 0.280 -6.119 560 HG11 VAL 88 1HG1 VAL 88 0.670 -0.797 -4.465 561 HG12 VAL 88 2HG1 VAL 88 1.354 -1.739 -5.790 562 HG13 VAL 88 3HG1 VAL 88 2.263 -0.393 -5.102 563 HG21 VAL 88 1HG2 VAL 88 0.699 2.264 -6.890 564 HG22 VAL 88 2HG2 VAL 88 1.243 1.918 -5.249 565 HG23 VAL 88 3HG2 VAL 88 2.282 1.534 -6.621 566 H SER 89 H SER 89 1.588 -2.742 -8.082 567 HA SER 89 HA SER 89 -1.132 -3.877 -8.150 568 HB2 SER 89 1HB SER 89 -0.018 -5.762 -9.472 569 HB3 SER 89 2HB SER 89 -0.198 -4.218 -10.304 570 HG SER 89 HG SER 89 2.156 -4.643 -8.874 571 H TYR 90 H TYR 90 -1.639 -5.280 -6.603 572 HA TYR 90 HA TYR 90 0.550 -6.447 -5.013 573 HB2 TYR 90 1HB TYR 90 -0.896 -6.404 -3.088 574 HB3 TYR 90 2HB TYR 90 -0.895 -4.798 -3.810 575 HD1 TYR 90 2HD TYR 90 -2.869 -7.887 -3.374 576 HD2 TYR 90 1HD TYR 90 -2.896 -3.839 -4.681 577 HE1 TYR 90 2HE TYR 90 -5.325 -7.947 -3.491 578 HE2 TYR 90 1HE TYR 90 -5.352 -3.887 -4.801 579 HH TYR 90 HH TYR 90 -7.220 -5.189 -3.757 580 H LEU 91 H LEU 91 0.156 -8.567 -4.095 581 HA LEU 91 HA LEU 91 -1.821 -10.158 -5.583 582 HB2 LEU 91 1HB LEU 91 1.110 -10.524 -5.365 583 HB3 LEU 91 2HB LEU 91 0.113 -11.975 -5.281 584 HG LEU 91 HG LEU 91 -0.172 -10.028 -7.546 585 HD11 LEU 91 1HD1 LEU 91 1.667 -12.406 -7.582 586 HD12 LEU 91 2HD1 LEU 91 2.227 -10.764 -7.266 587 HD13 LEU 91 3HD1 LEU 91 1.472 -11.155 -8.810 588 HD21 LEU 91 1HD2 LEU 91 -1.899 -11.499 -7.737 589 HD22 LEU 91 2HD2 LEU 91 -1.036 -12.796 -6.909 590 HD23 LEU 91 3HD2 LEU 91 -0.657 -12.416 -8.590 591 HA PRO 92 HA PRO 92 -2.680 -11.072 -1.245 592 HB2 PRO 92 1HB PRO 92 -5.134 -12.125 -1.732 593 HB3 PRO 92 2HB PRO 92 -4.837 -10.385 -1.636 594 HG2 PRO 92 1HG PRO 92 -5.094 -12.133 -4.053 595 HG3 PRO 92 2HG PRO 92 -5.772 -10.521 -3.761 596 HD2 PRO 92 1HD PRO 92 -3.544 -10.916 -5.248 597 HD3 PRO 92 2HD PRO 92 -3.791 -9.458 -4.267 598 H THR 93 H THR 93 -3.231 -13.071 -0.094 599 HA THR 93 HA THR 93 -2.370 -15.459 -1.594 600 HB THR 93 HB THR 93 -1.611 -16.352 0.629 601 HG1 THR 93 1HG THR 93 -2.735 -15.017 2.039 602 HG21 THR 93 1HG2 THR 93 -0.270 -13.770 -0.178 603 HG22 THR 93 2HG2 THR 93 -0.073 -15.303 -1.029 604 HG23 THR 93 3HG2 THR 93 0.472 -15.144 0.641 605 H LYS 94 H LYS 94 -4.567 -14.205 0.858 606 HA LYS 94 HA LYS 94 -6.291 -16.542 0.405 607 HB2 LYS 94 1HB LYS 94 -6.848 -16.669 2.751 608 HB3 LYS 94 2HB LYS 94 -5.102 -16.776 2.574 609 HG2 LYS 94 1HG LYS 94 -5.190 -15.301 4.288 610 HG3 LYS 94 2HG LYS 94 -5.285 -14.156 2.948 611 HD2 LYS 94 1HD LYS 94 -6.984 -13.531 4.473 612 HD3 LYS 94 2HD LYS 94 -7.800 -14.342 3.134 613 HE2 LYS 94 1HE LYS 94 -8.816 -15.331 4.946 614 HE3 LYS 94 2HE LYS 94 -7.505 -16.466 4.626 615 HZ1 LYS 94 1HZ LYS 94 -6.197 -15.207 6.327 616 HZ2 LYS 94 2HZ LYS 94 -7.523 -16.060 6.938 617 HZ3 LYS 94 3HZ LYS 94 -7.618 -14.383 6.732 618 HA PRO 95 HA PRO 95 -9.518 -13.635 -0.247 619 HB2 PRO 95 1HB PRO 95 -11.669 -15.074 0.572 620 HB3 PRO 95 2HB PRO 95 -10.806 -15.410 -0.933 621 HG2 PRO 95 1HG PRO 95 -10.580 -16.771 1.723 622 HG3 PRO 95 2HG PRO 95 -10.638 -17.485 0.101 623 HD2 PRO 95 1HD PRO 95 -8.323 -17.160 1.469 624 HD3 PRO 95 2HD PRO 95 -8.408 -17.061 -0.302 625 H GLY 96 H GLY 96 -10.055 -11.887 0.895 626 HA2 GLY 96 1HA GLY 96 -11.472 -11.953 3.330 627 HA3 GLY 96 2HA GLY 96 -9.772 -11.668 3.671 628 H GLU 97 H GLU 97 -9.510 -9.585 4.117 629 HA GLU 97 HA GLU 97 -10.509 -7.620 2.189 630 HB2 GLU 97 1HB GLU 97 -11.040 -6.121 4.202 631 HB3 GLU 97 2HB GLU 97 -12.177 -7.406 3.821 632 HG2 GLU 97 1HG GLU 97 -10.003 -7.809 5.838 633 HG3 GLU 97 2HG GLU 97 -11.524 -7.031 6.270 634 H TYR 98 H TYR 98 -8.817 -6.524 1.475 635 HA TYR 98 HA TYR 98 -6.488 -6.192 3.231 636 HB2 TYR 98 1HB TYR 98 -6.726 -5.893 0.230 637 HB3 TYR 98 2HB TYR 98 -5.243 -5.689 1.155 638 HD1 TYR 98 1HD TYR 98 -7.807 -8.153 0.128 639 HD2 TYR 98 2HD TYR 98 -3.941 -7.559 1.803 640 HE1 TYR 98 1HE TYR 98 -7.350 -10.560 -0.089 641 HE2 TYR 98 2HE TYR 98 -3.473 -9.964 1.589 642 HH TYR 98 HH TYR 98 -5.256 -12.181 1.467 643 H PHE 99 H PHE 99 -6.124 -4.286 4.133 644 HA PHE 99 HA PHE 99 -7.571 -1.945 3.146 645 HB2 PHE 99 1HB PHE 99 -6.128 -2.504 5.739 646 HB3 PHE 99 2HB PHE 99 -6.779 -0.921 5.323 647 HD1 PHE 99 2HD PHE 99 -7.786 -4.483 5.688 648 HD2 PHE 99 1HD PHE 99 -8.963 -0.396 5.866 649 HE1 PHE 99 2HE PHE 99 -9.979 -5.157 6.576 650 HE2 PHE 99 1HE PHE 99 -11.158 -1.064 6.757 651 HZ PHE 99 HZ PHE 99 -11.669 -3.446 7.112 652 H VAL 100 H VAL 100 -6.540 -0.748 1.694 653 HA VAL 100 HA VAL 100 -3.642 -0.691 1.590 654 HB VAL 100 HB VAL 100 -5.635 0.769 -0.149 655 HG11 VAL 100 1HG1 VAL 100 -2.672 0.487 -0.173 656 HG12 VAL 100 2HG1 VAL 100 -3.527 0.560 -1.715 657 HG13 VAL 100 3HG1 VAL 100 -3.677 1.884 -0.559 658 HG21 VAL 100 1HG2 VAL 100 -5.882 -1.060 -1.426 659 HG22 VAL 100 2HG2 VAL 100 -4.190 -1.529 -1.258 660 HG23 VAL 100 3HG2 VAL 100 -5.348 -1.935 0.009 661 H ASN 101 H ASN 101 -2.722 0.555 3.113 662 HA ASN 101 HA ASN 101 -3.918 3.018 4.003 663 HB2 ASN 101 1HB ASN 101 -1.229 1.770 4.613 664 HB3 ASN 101 2HB ASN 101 -1.867 3.210 5.401 665 HD21 ASN 101 1HD2 ASN 101 -2.341 -0.227 4.918 666 HD22 ASN 101 2HD2 ASN 101 -3.282 -0.489 6.343 667 H ILE 102 H ILE 102 -3.845 4.774 2.769 668 HA ILE 102 HA ILE 102 -1.402 5.299 1.208 669 HB ILE 102 HB ILE 102 -4.146 6.449 0.703 670 HG12 ILE 102 1HG1 ILE 102 -2.743 4.138 -0.655 671 HG13 ILE 102 2HG1 ILE 102 -4.183 4.030 0.351 672 HG21 ILE 102 1HG2 ILE 102 -3.007 6.815 -1.593 673 HG22 ILE 102 2HG2 ILE 102 -2.630 7.910 -0.264 674 HG23 ILE 102 3HG2 ILE 102 -1.505 6.621 -0.690 675 HD11 ILE 102 1HD1 ILE 102 -4.881 5.866 -1.581 676 HD12 ILE 102 2HD1 ILE 102 -3.922 4.672 -2.457 677 HD13 ILE 102 3HD1 ILE 102 -5.337 4.163 -1.536 678 H LEU 103 H LEU 103 -0.141 6.663 2.301 679 HA LEU 103 HA LEU 103 -1.373 9.101 3.395 680 HB2 LEU 103 1HB LEU 103 0.709 8.899 5.024 681 HB3 LEU 103 2HB LEU 103 -0.851 8.165 5.388 682 HG LEU 103 HG LEU 103 0.214 6.071 4.213 683 HD11 LEU 103 1HD1 LEU 103 2.579 7.764 4.953 684 HD12 LEU 103 2HD1 LEU 103 2.255 6.913 3.442 685 HD13 LEU 103 3HD1 LEU 103 2.674 6.003 4.894 686 HD21 LEU 103 1HD2 LEU 103 -0.163 5.423 6.306 687 HD22 LEU 103 2HD2 LEU 103 0.114 7.049 6.929 688 HD23 LEU 103 3HD2 LEU 103 1.475 5.952 6.690 689 H PHE 104 H PHE 104 -0.521 10.927 2.643 690 HA PHE 104 HA PHE 104 1.944 10.765 1.071 691 HB2 PHE 104 1HB PHE 104 -0.211 11.750 0.127 692 HB3 PHE 104 2HB PHE 104 0.054 13.111 1.212 693 HD1 PHE 104 1HD PHE 104 2.448 11.145 -0.852 694 HD2 PHE 104 2HD PHE 104 0.621 14.916 -0.105 695 HE1 PHE 104 1HE PHE 104 3.922 12.186 -2.525 696 HE2 PHE 104 2HE PHE 104 2.091 15.963 -1.777 697 HZ PHE 104 HZ PHE 104 3.744 14.598 -2.990 698 H GLU 105 H GLU 105 3.772 11.304 2.048 699 HA GLU 105 HA GLU 105 5.277 12.280 3.449 700 HB2 GLU 105 1HB GLU 105 3.371 14.613 3.190 701 HB3 GLU 105 2HB GLU 105 5.003 14.709 3.836 702 HG2 GLU 105 1HG GLU 105 4.639 13.570 1.121 703 HG3 GLU 105 2HG GLU 105 4.458 15.311 1.331 704 H GLU 106 H GLU 106 3.560 10.622 4.762 705 HA GLU 106 HA GLU 106 2.975 10.048 6.889 706 HB2 GLU 106 1HB GLU 106 3.899 12.765 7.805 707 HB3 GLU 106 2HB GLU 106 3.808 11.278 8.739 708 HG2 GLU 106 1HG GLU 106 5.536 10.419 6.974 709 HG3 GLU 106 2HG GLU 106 5.835 12.140 6.739 710 H VAL 107 H VAL 107 1.159 11.379 5.070 711 HA VAL 107 HA VAL 107 -0.761 12.395 7.051 712 HB VAL 107 HB VAL 107 -0.567 13.545 4.273 713 HG11 VAL 107 1HG1 VAL 107 -2.683 14.014 5.059 714 HG12 VAL 107 2HG1 VAL 107 -2.148 14.140 6.736 715 HG13 VAL 107 3HG1 VAL 107 -1.785 15.434 5.594 716 HG21 VAL 107 1HG2 VAL 107 1.474 13.902 5.857 717 HG22 VAL 107 2HG2 VAL 107 0.789 15.273 4.984 718 HG23 VAL 107 3HG2 VAL 107 0.394 15.024 6.685 719 H HIS 108 H HIS 108 -2.299 10.892 7.123 720 HA HIS 108 HA HIS 108 -2.880 9.056 5.076 721 HB2 HIS 108 1HB HIS 108 -4.135 9.837 7.654 722 HB3 HIS 108 2HB HIS 108 -5.146 8.964 6.506 723 HD1 HIS 108 1HD HIS 108 -4.941 6.490 6.540 724 HD2 HIS 108 2HD HIS 108 -1.667 8.352 8.295 725 HE1 HIS 108 1HE HIS 108 -3.540 4.631 7.490 726 HE2 HIS 108 2HE HIS 108 -1.609 5.786 8.621 727 H ILE 109 H ILE 109 -3.856 9.387 3.201 728 HA ILE 109 HA ILE 109 -5.118 11.806 2.495 729 HB ILE 109 HB ILE 109 -5.668 10.783 0.407 730 HG12 ILE 109 1HG1 ILE 109 -4.918 8.090 1.546 731 HG13 ILE 109 2HG1 ILE 109 -6.579 8.672 1.504 732 HG21 ILE 109 1HG2 ILE 109 -3.043 9.792 1.499 733 HG22 ILE 109 2HG2 ILE 109 -3.480 9.732 -0.207 734 HG23 ILE 109 3HG2 ILE 109 -3.347 11.286 0.614 735 HD11 ILE 109 1HD1 ILE 109 -6.643 8.640 -0.836 736 HD12 ILE 109 2HD1 ILE 109 -4.889 8.503 -0.965 737 HD13 ILE 109 3HD1 ILE 109 -5.838 7.141 -0.371 738 HA PRO 110 HA PRO 110 -9.260 11.309 3.873 739 HB2 PRO 110 1HB PRO 110 -10.590 12.699 1.958 740 HB3 PRO 110 2HB PRO 110 -9.605 13.479 3.201 741 HG2 PRO 110 1HG PRO 110 -8.915 12.847 0.358 742 HG3 PRO 110 2HG PRO 110 -8.584 14.319 1.289 743 HD2 PRO 110 1HD PRO 110 -6.708 12.413 0.862 744 HD3 PRO 110 2HD PRO 110 -6.754 13.393 2.342 745 H GLY 111 H GLY 111 -9.190 8.963 3.397 746 HA2 GLY 111 1HA GLY 111 -11.363 7.909 2.251 747 HA3 GLY 111 2HA GLY 111 -10.319 8.119 0.853 748 H SER 112 H SER 112 -8.038 7.621 2.924 749 HA SER 112 HA SER 112 -8.088 4.710 2.572 750 HB2 SER 112 1HB SER 112 -5.794 4.752 2.409 751 HB3 SER 112 2HB SER 112 -6.152 6.378 1.829 752 HG SER 112 HG SER 112 -5.378 5.634 4.456 753 HA PRO 113 HA PRO 113 -6.447 3.155 3.367 754 HB2 PRO 113 1HB PRO 113 -7.281 0.810 4.451 755 HB3 PRO 113 2HB PRO 113 -5.841 1.669 5.012 756 HG2 PRO 113 1HG PRO 113 -8.599 1.632 6.176 757 HG3 PRO 113 2HG PRO 113 -7.034 1.533 7.004 758 HD2 PRO 113 1HD PRO 113 -8.468 3.826 6.869 759 HD3 PRO 113 2HD PRO 113 -6.693 3.810 6.900 760 H PHE 114 H PHE 114 -7.395 1.422 1.967 761 HA PHE 114 HA PHE 114 -10.272 1.902 1.550 762 HB2 PHE 114 1HB PHE 114 -8.027 1.514 -0.417 763 HB3 PHE 114 2HB PHE 114 -9.704 1.239 -0.876 764 HD1 PHE 114 1HD PHE 114 -7.344 3.784 0.397 765 HD2 PHE 114 2HD PHE 114 -11.126 3.030 -1.404 766 HE1 PHE 114 1HE PHE 114 -7.610 6.190 -0.042 767 HE2 PHE 114 2HE PHE 114 -11.398 5.435 -1.847 768 HZ PHE 114 HZ PHE 114 -9.638 7.018 -1.167 769 H LYS 115 H LYS 115 -11.071 0.166 2.679 770 HA LYS 115 HA LYS 115 -10.063 -2.427 2.717 771 HB2 LYS 115 1HB LYS 115 -11.819 -1.547 4.241 772 HB3 LYS 115 2HB LYS 115 -12.967 -1.609 2.911 773 HG2 LYS 115 1HG LYS 115 -11.503 -4.096 3.605 774 HG3 LYS 115 2HG LYS 115 -12.785 -3.548 4.687 775 HD2 LYS 115 1HD LYS 115 -13.172 -3.848 1.717 776 HD3 LYS 115 2HD LYS 115 -13.473 -5.161 2.858 777 HE2 LYS 115 1HE LYS 115 -15.304 -4.126 3.772 778 HE3 LYS 115 2HE LYS 115 -14.723 -2.510 3.376 779 HZ1 LYS 115 1HZ LYS 115 -15.279 -4.141 1.071 780 HZ2 LYS 115 2HZ LYS 115 -15.745 -2.550 1.408 781 HZ3 LYS 115 3HZ LYS 115 -16.642 -3.844 2.028 782 H ALA 116 H ALA 116 -9.776 -3.814 1.111 783 HA ALA 116 HA ALA 116 -11.591 -3.690 -1.205 784 HB1 ALA 116 1HB ALA 116 -8.738 -3.802 -1.014 785 HB2 ALA 116 2HB ALA 116 -9.332 -5.226 -1.870 786 HB3 ALA 116 3HB ALA 116 -9.753 -3.613 -2.444 787 H ASP 117 H ASP 117 -13.080 -5.232 -1.184 788 HA ASP 117 HA ASP 117 -12.747 -7.649 0.340 789 HB2 ASP 117 1HB ASP 117 -14.941 -6.410 -1.258 790 HB3 ASP 117 2HB ASP 117 -15.016 -8.142 -0.948 791 H ILE 118 H ILE 118 -11.576 -9.289 -0.389 792 HA ILE 118 HA ILE 118 -11.369 -9.742 -3.275 793 HB ILE 118 HB ILE 118 -9.750 -10.842 -0.977 794 HG12 ILE 118 1HG1 ILE 118 -9.332 -8.473 -1.609 795 HG13 ILE 118 2HG1 ILE 118 -7.942 -9.514 -1.898 796 HG21 ILE 118 1HG2 ILE 118 -9.715 -11.492 -3.906 797 HG22 ILE 118 2HG2 ILE 118 -8.288 -11.706 -2.892 798 HG23 ILE 118 3HG2 ILE 118 -9.769 -12.592 -2.528 799 HD11 ILE 118 1HD1 ILE 118 -9.578 -9.401 -4.244 800 HD12 ILE 118 2HD1 ILE 118 -9.181 -7.772 -3.695 801 HD13 ILE 118 3HD1 ILE 118 -7.892 -8.930 -4.026 802 H GLU 119 H GLU 119 -11.723 -11.793 -4.197 803 HA GLU 119 HA GLU 119 -13.238 -13.681 -2.523 804 HB2 GLU 119 1HB GLU 119 -13.894 -12.873 -5.362 805 HB3 GLU 119 2HB GLU 119 -14.727 -14.115 -4.438 806 HG2 GLU 119 1HG GLU 119 -14.660 -11.165 -3.860 807 HG3 GLU 119 2HG GLU 119 -16.036 -12.113 -4.420 808 H MET 120 H MET 120 -13.424 -15.871 -3.592 809 HA MET 120 HA MET 120 -10.778 -16.674 -4.456 810 HB2 MET 120 1HB MET 120 -13.262 -18.265 -3.803 811 HB3 MET 120 2HB MET 120 -11.729 -18.985 -4.276 812 HG2 MET 120 1HG MET 120 -10.698 -17.795 -2.311 813 HG3 MET 120 2HG MET 120 -12.338 -17.403 -1.799 814 HE1 MET 120 1HE MET 120 -9.765 -20.769 -1.134 815 HE2 MET 120 2HE MET 120 -9.640 -19.011 -1.074 816 HE3 MET 120 3HE MET 120 -10.344 -19.892 0.283 817 HA PRO 121 HA PRO 121 -11.771 -16.700 -8.761 818 HB2 PRO 121 1HB PRO 121 -9.680 -18.211 -9.608 819 HB3 PRO 121 2HB PRO 121 -9.509 -16.521 -9.119 820 HG2 PRO 121 1HG PRO 121 -8.933 -19.012 -7.561 821 HG3 PRO 121 2HG PRO 121 -7.983 -17.518 -7.674 822 HD2 PRO 121 1HD PRO 121 -9.595 -18.065 -5.568 823 HD3 PRO 121 2HD PRO 121 -9.309 -16.411 -6.148 824 H PHE 122 H PHE 122 -12.155 -18.263 -10.528 825 HA PHE 122 HA PHE 122 -12.862 -20.947 -9.557 826 HB2 PHE 122 1HB PHE 122 -14.907 -19.599 -9.644 827 HB3 PHE 122 2HB PHE 122 -14.574 -19.184 -11.322 828 HD1 PHE 122 2HD PHE 122 -14.870 -22.251 -9.212 829 HD2 PHE 122 1HD PHE 122 -15.741 -20.340 -12.914 830 HE1 PHE 122 2HE PHE 122 -16.111 -24.244 -9.945 831 HE2 PHE 122 1HE PHE 122 -16.984 -22.330 -13.653 832 HZ PHE 122 HZ PHE 122 -17.170 -24.286 -12.169 833 H ASP 123 H ASP 123 -11.974 -22.496 -10.739 834 HA ASP 123 HA ASP 123 -10.230 -22.250 -12.780 835 HB2 ASP 123 1HB ASP 123 -12.246 -24.496 -12.572 836 HB3 ASP 123 2HB ASP 123 -10.687 -24.566 -13.388 837 HA PRO 124 HA PRO 124 -13.001 -20.488 -15.893 838 HB2 PRO 124 1HB PRO 124 -10.990 -19.507 -17.431 839 HB3 PRO 124 2HB PRO 124 -11.590 -18.677 -15.990 840 HG2 PRO 124 1HG PRO 124 -9.172 -20.413 -16.308 841 HG3 PRO 124 2HG PRO 124 -9.341 -18.879 -15.435 842 HD2 PRO 124 1HD PRO 124 -9.363 -21.278 -14.181 843 HD3 PRO 124 2HD PRO 124 -10.295 -19.886 -13.594 844 H SER 125 H SER 125 -13.688 -22.546 -16.644 845 HA SER 125 HA SER 125 -13.709 -24.416 -17.976 846 HB2 SER 125 1HB SER 125 -14.197 -22.446 -19.500 847 HB3 SER 125 2HB SER 125 -12.513 -22.536 -20.017 848 HG SER 125 HG SER 125 -13.042 -24.828 -20.495 849 H SER 126 H SER 126 -11.243 -24.037 -16.442 850 HA SER 126 HA SER 126 -8.938 -24.565 -17.923 851 HB2 SER 126 1HB SER 126 -9.547 -25.595 -15.143 852 HB3 SER 126 2HB SER 126 -7.952 -25.333 -15.849 853 HG SER 126 HG SER 126 -9.896 -23.355 -15.246 854 H GLY 127 H GLY 127 -7.792 -26.515 -18.318 855 HA2 GLY 127 1HA GLY 127 -7.577 -28.850 -18.516 856 HA3 GLY 127 2HA GLY 127 -9.254 -29.025 -18.021 857 HA PRO 128 HA PRO 128 -9.127 -27.894 -22.752 858 HB2 PRO 128 1HB PRO 128 -6.778 -28.478 -23.981 859 HB3 PRO 128 2HB PRO 128 -7.132 -26.890 -23.291 860 HG2 PRO 128 1HG PRO 128 -5.536 -29.144 -22.137 861 HG3 PRO 128 2HG PRO 128 -5.179 -27.407 -22.139 862 HD2 PRO 128 1HD PRO 128 -6.210 -28.680 -19.983 863 HD3 PRO 128 2HD PRO 128 -6.588 -26.988 -20.364 864 H SER 129 H SER 129 -7.141 -30.584 -21.580 865 HA SER 129 HA SER 129 -7.755 -32.380 -23.672 866 HB2 SER 129 1HB SER 129 -6.912 -34.127 -22.138 867 HB3 SER 129 2HB SER 129 -5.836 -32.731 -22.195 868 HG SER 129 HG SER 129 -6.988 -33.809 -20.074 869 H SER 130 H SER 130 -10.025 -32.152 -23.964 870 HA SER 130 HA SER 130 -12.057 -32.404 -22.179 871 HB2 SER 130 1HB SER 130 -11.891 -33.618 -24.946 872 HB3 SER 130 2HB SER 130 -13.383 -33.461 -24.020 873 HG SER 130 HG SER 130 -11.792 -31.190 -24.402 874 H GLY 131 H GLY 131 -10.163 -35.046 -23.584 875 HA2 GLY 131 1HA GLY 131 -9.643 -37.040 -22.422 876 HA3 GLY 131 2HA GLY 131 -11.013 -36.750 -21.360
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