NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
462014 | 2e6p | 11229 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -33.199 0.486 -7.780 2 HA2 GLY 1 1HA GLY 1 -32.289 1.066 -5.320 3 HA3 GLY 1 2HA GLY 1 -33.352 -0.304 -5.604 4 H SER 2 H SER 2 -32.631 -2.260 -5.065 5 HA SER 2 HA SER 2 -31.269 -3.892 -4.252 6 HB2 SER 2 1HB SER 2 -29.689 -2.615 -6.427 7 HB3 SER 2 2HB SER 2 -28.838 -3.728 -5.356 8 HG SER 2 HG SER 2 -30.621 -4.258 -7.331 9 H SER 3 H SER 3 -31.515 -1.757 -2.553 10 HA SER 3 HA SER 3 -28.799 -1.298 -1.523 11 HB2 SER 3 1HB SER 3 -31.392 0.187 -1.070 12 HB3 SER 3 2HB SER 3 -29.930 0.493 -0.132 13 HG SER 3 HG SER 3 -28.882 0.930 -2.168 14 H GLY 4 H GLY 4 -28.770 -1.079 0.962 15 HA2 GLY 4 1HA GLY 4 -30.083 -1.912 2.966 16 HA3 GLY 4 2HA GLY 4 -30.207 -3.413 2.060 17 H SER 5 H SER 5 -27.509 -1.170 2.678 18 HA SER 5 HA SER 5 -25.973 -3.476 3.683 19 HB2 SER 5 1HB SER 5 -23.970 -2.450 2.837 20 HB3 SER 5 2HB SER 5 -25.160 -2.441 1.536 21 HG SER 5 HG SER 5 -25.477 -0.287 1.835 22 H SER 6 H SER 6 -24.664 -3.207 5.499 23 HA SER 6 HA SER 6 -25.563 -1.114 7.305 24 HB2 SER 6 1HB SER 6 -24.162 -3.728 7.603 25 HB3 SER 6 2HB SER 6 -23.888 -2.506 8.845 26 HG SER 6 HG SER 6 -26.216 -3.894 8.185 27 H GLY 7 H GLY 7 -22.400 -2.454 6.323 28 HA2 GLY 7 1HA GLY 7 -21.037 -0.091 7.290 29 HA3 GLY 7 2HA GLY 7 -20.292 -1.495 6.542 30 HA PRO 8 HA PRO 8 -21.004 2.220 3.554 31 HB2 PRO 8 1HB PRO 8 -18.742 3.668 3.948 32 HB3 PRO 8 2HB PRO 8 -20.247 3.981 4.820 33 HG2 PRO 8 1HG PRO 8 -17.821 2.469 5.710 34 HG3 PRO 8 2HG PRO 8 -18.804 3.637 6.611 35 HD2 PRO 8 1HD PRO 8 -19.061 0.961 6.935 36 HD3 PRO 8 2HD PRO 8 -20.429 2.079 7.106 37 H VAL 9 H VAL 9 -17.782 0.996 4.490 38 HA VAL 9 HA VAL 9 -17.477 -0.285 1.914 39 HB VAL 9 HB VAL 9 -16.694 1.886 1.285 40 HG11 VAL 9 1HG1 VAL 9 -14.908 3.050 2.491 41 HG12 VAL 9 2HG1 VAL 9 -16.329 2.811 3.509 42 HG13 VAL 9 3HG1 VAL 9 -14.912 1.781 3.716 43 HG21 VAL 9 1HG2 VAL 9 -14.007 1.026 1.554 44 HG22 VAL 9 2HG2 VAL 9 -15.013 -0.407 1.343 45 HG23 VAL 9 3HG2 VAL 9 -15.065 0.891 0.150 46 H HIS 10 H HIS 10 -16.409 -2.138 2.166 47 HA HIS 10 HA HIS 10 -14.577 -2.405 4.456 48 HB2 HIS 10 1HB HIS 10 -15.363 -4.717 4.758 49 HB3 HIS 10 2HB HIS 10 -16.672 -3.559 4.970 50 HD1 HIS 10 1HD HIS 10 -18.754 -4.150 3.783 51 HD2 HIS 10 2HD HIS 10 -15.416 -5.831 1.968 52 HE1 HIS 10 1HE HIS 10 -19.649 -5.554 1.898 53 HE2 HIS 10 2HE HIS 10 -17.617 -6.629 0.869 54 H ILE 11 H ILE 11 -12.688 -3.479 4.100 55 HA ILE 11 HA ILE 11 -11.798 -3.743 1.414 56 HB ILE 11 HB ILE 11 -10.539 -4.533 4.035 57 HG12 ILE 11 1HG1 ILE 11 -9.602 -2.428 2.102 58 HG13 ILE 11 2HG1 ILE 11 -10.866 -2.078 3.277 59 HG21 ILE 11 1HG2 ILE 11 -9.661 -6.061 2.429 60 HG22 ILE 11 2HG2 ILE 11 -9.434 -4.774 1.245 61 HG23 ILE 11 3HG2 ILE 11 -8.440 -4.818 2.701 62 HD11 ILE 11 1HD1 ILE 11 -9.044 -1.392 4.443 63 HD12 ILE 11 2HD1 ILE 11 -9.090 -3.081 4.949 64 HD13 ILE 11 3HD1 ILE 11 -7.973 -2.569 3.684 65 H LEU 12 H LEU 12 -11.322 -5.563 0.216 66 HA LEU 12 HA LEU 12 -12.599 -8.040 1.153 67 HB2 LEU 12 1HB LEU 12 -11.825 -7.553 -1.689 68 HB3 LEU 12 2HB LEU 12 -13.100 -8.581 -1.040 69 HG LEU 12 HG LEU 12 -13.189 -5.567 -1.042 70 HD11 LEU 12 1HD1 LEU 12 -13.176 -6.713 -3.320 71 HD12 LEU 12 2HD1 LEU 12 -14.524 -5.634 -2.963 72 HD13 LEU 12 3HD1 LEU 12 -14.742 -7.381 -2.859 73 HD21 LEU 12 1HD2 LEU 12 -15.602 -7.269 -0.842 74 HD22 LEU 12 2HD2 LEU 12 -15.245 -5.711 -0.097 75 HD23 LEU 12 3HD2 LEU 12 -14.556 -7.189 0.576 76 H SER 13 H SER 13 -9.652 -6.690 -0.183 77 HA SER 13 HA SER 13 -8.145 -8.952 0.791 78 HB2 SER 13 1HB SER 13 -8.648 -8.514 -2.110 79 HB3 SER 13 2HB SER 13 -7.015 -8.979 -1.635 80 HG SER 13 HG SER 13 -9.130 -10.417 -0.530 81 HA PRO 14 HA PRO 14 -6.079 -9.661 0.773 82 HB2 PRO 14 1HB PRO 14 -4.453 -9.421 2.934 83 HB3 PRO 14 2HB PRO 14 -3.859 -9.341 1.272 84 HG2 PRO 14 1HG PRO 14 -4.472 -7.111 3.173 85 HG3 PRO 14 2HG PRO 14 -3.092 -7.298 2.074 86 HD2 PRO 14 1HD PRO 14 -5.215 -5.720 1.493 87 HD3 PRO 14 2HD PRO 14 -4.293 -6.579 0.242 88 H GLN 15 H GLN 15 -6.326 -10.940 2.888 89 HA GLN 15 HA GLN 15 -8.680 -9.899 4.260 90 HB2 GLN 15 1HB GLN 15 -7.427 -12.642 4.148 91 HB3 GLN 15 2HB GLN 15 -8.799 -12.253 5.177 92 HG2 GLN 15 1HG GLN 15 -10.158 -11.738 3.270 93 HG3 GLN 15 2HG GLN 15 -8.779 -11.926 2.187 94 HE21 GLN 15 1HE2 GLN 15 -11.131 -13.311 1.809 95 HE22 GLN 15 2HE2 GLN 15 -10.855 -14.993 2.092 96 H ASP 16 H ASP 16 -5.373 -10.865 4.900 97 HA ASP 16 HA ASP 16 -5.581 -9.643 7.551 98 HB2 ASP 16 1HB ASP 16 -3.993 -11.608 8.293 99 HB3 ASP 16 2HB ASP 16 -5.742 -11.819 8.305 100 H LYS 17 H LYS 17 -3.206 -9.691 8.543 101 HA LYS 17 HA LYS 17 -1.661 -7.936 7.061 102 HB2 LYS 17 1HB LYS 17 -1.325 -8.103 9.423 103 HB3 LYS 17 2HB LYS 17 -0.899 -9.806 9.304 104 HG2 LYS 17 1HG LYS 17 1.173 -8.897 9.531 105 HG3 LYS 17 2HG LYS 17 1.027 -8.869 7.772 106 HD2 LYS 17 1HD LYS 17 0.405 -6.549 7.805 107 HD3 LYS 17 2HD LYS 17 0.322 -6.550 9.568 108 HE2 LYS 17 1HE LYS 17 2.863 -7.285 8.167 109 HE3 LYS 17 2HE LYS 17 2.424 -5.591 8.383 110 HZ1 LYS 17 1HZ LYS 17 3.251 -7.564 10.360 111 HZ2 LYS 17 2HZ LYS 17 2.048 -6.477 10.844 112 HZ3 LYS 17 3HZ LYS 17 3.543 -5.898 10.304 113 H VAL 18 H VAL 18 -0.188 -8.127 5.485 114 HA VAL 18 HA VAL 18 0.590 -10.849 4.668 115 HB VAL 18 HB VAL 18 0.852 -10.031 2.412 116 HG11 VAL 18 1HG1 VAL 18 -1.675 -9.793 3.862 117 HG12 VAL 18 2HG1 VAL 18 -1.641 -8.907 2.336 118 HG13 VAL 18 3HG1 VAL 18 -1.303 -10.639 2.360 119 HG21 VAL 18 1HG2 VAL 18 0.653 -7.812 1.741 120 HG22 VAL 18 2HG2 VAL 18 -0.181 -7.336 3.220 121 HG23 VAL 18 3HG2 VAL 18 1.546 -7.695 3.258 122 H SER 19 H SER 19 2.715 -10.891 3.435 123 HA SER 19 HA SER 19 4.655 -8.956 4.473 124 HB2 SER 19 1HB SER 19 4.470 -11.120 5.900 125 HB3 SER 19 2HB SER 19 5.301 -11.893 4.551 126 HG SER 19 HG SER 19 6.217 -9.814 6.230 127 H LEU 20 H LEU 20 6.110 -8.348 2.995 128 HA LEU 20 HA LEU 20 6.629 -10.091 0.695 129 HB2 LEU 20 1HB LEU 20 6.193 -7.143 0.344 130 HB3 LEU 20 2HB LEU 20 6.265 -8.398 -0.892 131 HG LEU 20 HG LEU 20 4.053 -8.491 1.103 132 HD11 LEU 20 1HD1 LEU 20 2.707 -6.970 -0.215 133 HD12 LEU 20 2HD1 LEU 20 4.066 -6.662 -1.294 134 HD13 LEU 20 3HD1 LEU 20 4.141 -6.141 0.388 135 HD21 LEU 20 1HD2 LEU 20 3.460 -10.135 -0.264 136 HD22 LEU 20 2HD2 LEU 20 4.765 -9.738 -1.383 137 HD23 LEU 20 3HD2 LEU 20 3.200 -8.936 -1.531 138 H THR 21 H THR 21 8.635 -9.751 -0.332 139 HA THR 21 HA THR 21 10.482 -7.888 0.981 140 HB THR 21 HB THR 21 11.237 -10.755 0.405 141 HG1 THR 21 1HG THR 21 9.932 -10.962 2.135 142 HG21 THR 21 1HG2 THR 21 12.880 -9.587 2.361 143 HG22 THR 21 2HG2 THR 21 12.711 -8.381 1.085 144 HG23 THR 21 3HG2 THR 21 13.311 -9.994 0.701 145 H PHE 22 H PHE 22 11.775 -6.838 -0.401 146 HA PHE 22 HA PHE 22 12.143 -7.942 -3.100 147 HB2 PHE 22 1HB PHE 22 11.483 -5.060 -2.454 148 HB3 PHE 22 2HB PHE 22 11.851 -5.693 -4.056 149 HD1 PHE 22 1HD PHE 22 9.392 -5.687 -1.322 150 HD2 PHE 22 2HD PHE 22 10.218 -6.865 -5.328 151 HE1 PHE 22 1HE PHE 22 7.009 -6.200 -1.659 152 HE2 PHE 22 2HE PHE 22 7.837 -7.379 -5.671 153 HZ PHE 22 HZ PHE 22 6.229 -7.046 -3.836 154 H THR 23 H THR 23 13.890 -6.637 -4.299 155 HA THR 23 HA THR 23 16.118 -6.189 -2.424 156 HB THR 23 HB THR 23 16.270 -7.008 -5.332 157 HG1 THR 23 1HG THR 23 15.549 -8.522 -3.442 158 HG21 THR 23 1HG2 THR 23 18.235 -5.778 -4.715 159 HG22 THR 23 2HG2 THR 23 18.654 -7.491 -4.740 160 HG23 THR 23 3HG2 THR 23 18.381 -6.672 -3.203 161 H THR 24 H THR 24 17.410 -4.394 -2.628 162 HA THR 24 HA THR 24 16.354 -1.996 -3.410 163 HB THR 24 HB THR 24 19.279 -2.762 -3.372 164 HG1 THR 24 1HG THR 24 18.903 -1.402 -1.308 165 HG21 THR 24 1HG2 THR 24 18.024 -0.015 -3.300 166 HG22 THR 24 2HG2 THR 24 18.881 -0.709 -4.676 167 HG23 THR 24 3HG2 THR 24 19.744 -0.381 -3.174 168 H SER 25 H SER 25 16.541 -0.639 -5.202 169 HA SER 25 HA SER 25 16.642 -0.075 -7.405 170 HB2 SER 25 1HB SER 25 18.528 -0.663 -8.609 171 HB3 SER 25 2HB SER 25 19.072 -1.012 -6.969 172 HG SER 25 HG SER 25 18.762 -2.692 -9.055 173 H GLU 26 H GLU 26 14.605 -1.795 -6.555 174 HA GLU 26 HA GLU 26 14.107 -3.281 -9.040 175 HB2 GLU 26 1HB GLU 26 13.512 -4.256 -6.241 176 HB3 GLU 26 2HB GLU 26 12.960 -5.041 -7.714 177 HG2 GLU 26 1HG GLU 26 15.871 -4.552 -7.250 178 HG3 GLU 26 2HG GLU 26 15.058 -5.937 -6.521 179 H ARG 27 H ARG 27 11.674 -3.942 -9.088 180 HA ARG 27 HA ARG 27 10.156 -1.503 -8.510 181 HB2 ARG 27 1HB ARG 27 10.241 -2.382 -10.849 182 HB3 ARG 27 2HB ARG 27 9.395 -3.820 -10.294 183 HG2 ARG 27 1HG ARG 27 7.670 -2.027 -9.405 184 HG3 ARG 27 2HG ARG 27 8.389 -1.060 -10.694 185 HD2 ARG 27 1HD ARG 27 7.945 -2.973 -12.251 186 HD3 ARG 27 2HD ARG 27 7.043 -3.743 -10.946 187 HE ARG 27 HE ARG 27 5.314 -2.283 -11.320 188 HH11 ARG 27 2HH1 ARG 27 8.161 -1.149 -12.970 189 HH12 ARG 27 1HH1 ARG 27 7.323 0.097 -13.835 190 HH21 ARG 27 2HH2 ARG 27 4.199 -0.647 -12.452 191 HH22 ARG 27 1HH2 ARG 27 5.069 0.382 -13.539 192 H VAL 28 H VAL 28 8.625 -1.454 -6.997 193 HA VAL 28 HA VAL 28 7.622 -4.017 -5.939 194 HB VAL 28 HB VAL 28 8.201 -1.483 -4.399 195 HG11 VAL 28 1HG1 VAL 28 6.728 -2.150 -2.880 196 HG12 VAL 28 2HG1 VAL 28 6.309 -3.543 -3.879 197 HG13 VAL 28 3HG1 VAL 28 7.610 -3.666 -2.694 198 HG21 VAL 28 1HG2 VAL 28 9.603 -4.071 -4.746 199 HG22 VAL 28 2HG2 VAL 28 10.257 -2.454 -4.488 200 HG23 VAL 28 3HG2 VAL 28 9.597 -3.365 -3.130 201 H VAL 29 H VAL 29 5.556 -4.262 -6.455 202 HA VAL 29 HA VAL 29 3.787 -1.908 -6.329 203 HB VAL 29 HB VAL 29 3.820 -2.298 -8.613 204 HG11 VAL 29 1HG1 VAL 29 3.489 -4.820 -9.382 205 HG12 VAL 29 2HG1 VAL 29 5.084 -4.138 -9.058 206 HG13 VAL 29 3HG1 VAL 29 4.280 -5.124 -7.836 207 HG21 VAL 29 1HG2 VAL 29 1.669 -2.977 -9.169 208 HG22 VAL 29 2HG2 VAL 29 1.635 -4.231 -7.930 209 HG23 VAL 29 3HG2 VAL 29 1.513 -2.534 -7.469 210 H LEU 30 H LEU 30 2.362 -2.115 -4.745 211 HA LEU 30 HA LEU 30 1.754 -4.718 -3.631 212 HB2 LEU 30 1HB LEU 30 0.893 -1.935 -2.866 213 HB3 LEU 30 2HB LEU 30 0.409 -3.390 -1.999 214 HG LEU 30 HG LEU 30 3.237 -2.377 -2.289 215 HD11 LEU 30 1HD1 LEU 30 1.773 -2.533 0.297 216 HD12 LEU 30 2HD1 LEU 30 1.457 -1.172 -0.779 217 HD13 LEU 30 3HD1 LEU 30 3.094 -1.471 -0.194 218 HD21 LEU 30 1HD2 LEU 30 2.173 -4.944 -1.576 219 HD22 LEU 30 2HD2 LEU 30 2.994 -4.223 -0.191 220 HD23 LEU 30 3HD2 LEU 30 3.854 -4.431 -1.718 221 H THR 31 H THR 31 -0.769 -4.667 -2.816 222 HA THR 31 HA THR 31 -2.553 -3.920 -4.974 223 HB THR 31 HB THR 31 -2.343 -6.833 -4.199 224 HG1 THR 31 1HG THR 31 -1.675 -5.883 -6.758 225 HG21 THR 31 1HG2 THR 31 -4.529 -6.492 -4.916 226 HG22 THR 31 2HG2 THR 31 -3.708 -6.968 -6.403 227 HG23 THR 31 3HG2 THR 31 -4.057 -5.268 -6.094 228 H CYS 32 H CYS 32 -4.641 -3.661 -4.309 229 HA CYS 32 HA CYS 32 -5.592 -4.808 -1.843 230 HB2 CYS 32 1HB CYS 32 -4.284 -2.831 -1.074 231 HB3 CYS 32 2HB CYS 32 -5.330 -1.801 -2.045 232 HG CYS 32 HG CYS 32 -6.576 -3.792 0.433 233 H GLU 33 H GLU 33 -7.787 -4.932 -1.779 234 HA GLU 33 HA GLU 33 -9.238 -3.639 -3.994 235 HB2 GLU 33 1HB GLU 33 -9.003 -6.174 -4.047 236 HB3 GLU 33 2HB GLU 33 -10.052 -6.205 -2.636 237 HG2 GLU 33 1HG GLU 33 -11.865 -5.286 -3.853 238 HG3 GLU 33 2HG GLU 33 -10.831 -4.902 -5.228 239 H LEU 34 H LEU 34 -11.435 -3.016 -3.592 240 HA LEU 34 HA LEU 34 -12.127 -2.710 -0.752 241 HB2 LEU 34 1HB LEU 34 -12.048 -0.600 -2.882 242 HB3 LEU 34 2HB LEU 34 -13.081 -0.435 -1.464 243 HG LEU 34 HG LEU 34 -10.085 -0.765 -1.351 244 HD11 LEU 34 1HD1 LEU 34 -10.756 1.781 -0.485 245 HD12 LEU 34 2HD1 LEU 34 -11.714 1.551 -1.947 246 HD13 LEU 34 3HD1 LEU 34 -9.962 1.357 -2.001 247 HD21 LEU 34 1HD2 LEU 34 -11.449 0.490 0.885 248 HD22 LEU 34 2HD2 LEU 34 -10.285 -0.835 0.868 249 HD23 LEU 34 3HD2 LEU 34 -11.998 -1.161 0.599 250 H SER 35 H SER 35 -14.490 -1.764 -0.648 251 HA SER 35 HA SER 35 -16.118 -3.427 -2.451 252 HB2 SER 35 1HB SER 35 -17.668 -3.745 -0.708 253 HB3 SER 35 2HB SER 35 -16.102 -3.846 0.096 254 HG SER 35 HG SER 35 -17.878 -2.421 0.999 255 H ARG 36 H ARG 36 -15.120 -0.517 -2.617 256 HA ARG 36 HA ARG 36 -17.679 0.563 -3.519 257 HB2 ARG 36 1HB ARG 36 -15.887 1.813 -1.462 258 HB3 ARG 36 2HB ARG 36 -16.872 2.823 -2.512 259 HG2 ARG 36 1HG ARG 36 -18.788 1.206 -1.697 260 HG3 ARG 36 2HG ARG 36 -17.691 0.983 -0.333 261 HD2 ARG 36 1HD ARG 36 -19.162 2.756 0.244 262 HD3 ARG 36 2HD ARG 36 -17.600 3.484 -0.128 263 HE ARG 36 HE ARG 36 -18.531 4.494 -1.982 264 HH11 ARG 36 2HH1 ARG 36 -20.766 2.203 -0.611 265 HH12 ARG 36 1HH1 ARG 36 -22.109 2.747 -1.562 266 HH21 ARG 36 2HH2 ARG 36 -20.291 5.218 -3.239 267 HH22 ARG 36 1HH2 ARG 36 -21.837 4.461 -3.057 268 H VAL 37 H VAL 37 -17.490 1.390 -5.493 269 HA VAL 37 HA VAL 37 -14.879 1.653 -6.698 270 HB VAL 37 HB VAL 37 -17.628 2.147 -7.852 271 HG11 VAL 37 1HG1 VAL 37 -15.658 3.364 -8.919 272 HG12 VAL 37 2HG1 VAL 37 -15.085 1.768 -9.406 273 HG13 VAL 37 3HG1 VAL 37 -16.648 2.357 -9.974 274 HG21 VAL 37 1HG2 VAL 37 -15.790 -0.175 -8.381 275 HG22 VAL 37 2HG2 VAL 37 -17.027 -0.205 -7.124 276 HG23 VAL 37 3HG2 VAL 37 -17.491 -0.008 -8.814 277 H ASP 38 H ASP 38 -13.939 3.516 -7.484 278 HA ASP 38 HA ASP 38 -13.351 5.714 -7.493 279 HB2 ASP 38 1HB ASP 38 -16.357 6.019 -7.599 280 HB3 ASP 38 2HB ASP 38 -15.230 7.357 -7.804 281 H PHE 39 H PHE 39 -13.232 4.570 -5.016 282 HA PHE 39 HA PHE 39 -14.366 6.581 -3.196 283 HB2 PHE 39 1HB PHE 39 -14.641 3.957 -2.942 284 HB3 PHE 39 2HB PHE 39 -13.057 4.095 -2.185 285 HD1 PHE 39 2HD PHE 39 -16.563 5.247 -1.997 286 HD2 PHE 39 1HD PHE 39 -12.823 4.908 0.007 287 HE1 PHE 39 2HE PHE 39 -17.637 5.917 0.113 288 HE2 PHE 39 1HE PHE 39 -13.892 5.577 2.120 289 HZ PHE 39 HZ PHE 39 -16.301 6.084 2.175 290 HA PRO 40 HA PRO 40 -10.368 8.336 -2.605 291 HB2 PRO 40 1HB PRO 40 -10.812 9.567 -0.227 292 HB3 PRO 40 2HB PRO 40 -11.469 10.165 -1.755 293 HG2 PRO 40 1HG PRO 40 -12.804 8.536 0.372 294 HG3 PRO 40 2HG PRO 40 -13.434 9.922 -0.537 295 HD2 PRO 40 1HD PRO 40 -14.075 7.364 -1.152 296 HD3 PRO 40 2HD PRO 40 -13.950 8.639 -2.381 297 H ALA 41 H ALA 41 -8.536 8.283 -1.149 298 HA ALA 41 HA ALA 41 -8.472 6.770 1.226 299 HB1 ALA 41 1HB ALA 41 -7.081 4.854 0.289 300 HB2 ALA 41 2HB ALA 41 -8.819 4.804 -0.009 301 HB3 ALA 41 3HB ALA 41 -7.720 5.313 -1.290 302 H THR 42 H THR 42 -6.334 6.587 2.119 303 HA THR 42 HA THR 42 -4.280 8.142 0.699 304 HB THR 42 HB THR 42 -4.961 8.436 3.632 305 HG1 THR 42 1HG THR 42 -6.243 9.493 1.740 306 HG21 THR 42 1HG2 THR 42 -3.313 10.524 2.832 307 HG22 THR 42 2HG2 THR 42 -2.600 9.095 2.083 308 HG23 THR 42 3HG2 THR 42 -2.851 9.144 3.827 309 H TRP 43 H TRP 43 -2.403 7.108 0.571 310 HA TRP 43 HA TRP 43 -2.011 4.626 1.975 311 HB2 TRP 43 1HB TRP 43 -0.407 6.160 -0.059 312 HB3 TRP 43 2HB TRP 43 0.252 4.737 0.744 313 HD1 TRP 43 HD TRP 43 -2.242 5.783 -1.919 314 HE1 TRP 43 1HE TRP 43 -3.099 3.685 -3.139 315 HE3 TRP 43 3HE TRP 43 -0.235 2.199 1.124 316 HZ2 TRP 43 2HZ TRP 43 -2.946 0.881 -2.848 317 HZ3 TRP 43 3HZ TRP 43 -0.637 -0.168 0.583 318 HH2 TRP 43 HH TRP 43 -1.966 -0.811 -1.362 319 H TYR 44 H TYR 44 -0.568 4.174 3.588 320 HA TYR 44 HA TYR 44 1.001 6.414 4.668 321 HB2 TYR 44 1HB TYR 44 -0.840 4.561 6.176 322 HB3 TYR 44 2HB TYR 44 0.427 5.487 6.973 323 HD1 TYR 44 2HD TYR 44 0.367 8.028 6.747 324 HD2 TYR 44 1HD TYR 44 -2.923 5.534 5.717 325 HE1 TYR 44 2HE TYR 44 -1.143 9.963 6.908 326 HE2 TYR 44 1HE TYR 44 -4.441 7.462 5.874 327 HH TYR 44 HH TYR 44 -3.245 10.714 6.287 328 H LYS 45 H LYS 45 3.032 5.924 5.270 329 HA LYS 45 HA LYS 45 3.810 3.081 5.218 330 HB2 LYS 45 1HB LYS 45 4.705 4.416 3.326 331 HB3 LYS 45 2HB LYS 45 5.508 5.472 4.481 332 HG2 LYS 45 1HG LYS 45 6.530 3.176 5.312 333 HG3 LYS 45 2HG LYS 45 6.177 2.706 3.648 334 HD2 LYS 45 1HD LYS 45 7.703 4.168 2.767 335 HD3 LYS 45 2HD LYS 45 7.552 5.303 4.110 336 HE2 LYS 45 1HE LYS 45 8.616 3.270 5.445 337 HE3 LYS 45 2HE LYS 45 9.242 2.873 3.845 338 HZ1 LYS 45 1HZ LYS 45 10.818 4.239 4.986 339 HZ2 LYS 45 2HZ LYS 45 9.649 5.412 5.329 340 HZ3 LYS 45 3HZ LYS 45 10.144 5.152 3.732 341 H ASP 46 H ASP 46 4.709 2.273 7.001 342 HA ASP 46 HA ASP 46 5.403 2.140 9.171 343 HB2 ASP 46 1HB ASP 46 7.436 3.036 7.848 344 HB3 ASP 46 2HB ASP 46 7.079 4.577 8.622 345 H GLY 47 H GLY 47 3.045 3.763 8.684 346 HA2 GLY 47 1HA GLY 47 1.609 4.936 10.064 347 HA3 GLY 47 2HA GLY 47 2.895 5.029 11.258 348 H GLN 48 H GLN 48 3.345 6.124 7.975 349 HA GLN 48 HA GLN 48 2.923 8.905 8.744 350 HB2 GLN 48 1HB GLN 48 5.566 7.825 7.754 351 HB3 GLN 48 2HB GLN 48 5.164 9.536 7.824 352 HG2 GLN 48 1HG GLN 48 4.652 8.990 10.336 353 HG3 GLN 48 2HG GLN 48 5.727 7.626 10.032 354 HE21 GLN 48 1HE2 GLN 48 7.523 8.185 11.086 355 HE22 GLN 48 2HE2 GLN 48 8.421 9.637 10.820 356 H LYS 49 H LYS 49 2.028 10.037 7.142 357 HA LYS 49 HA LYS 49 1.002 9.013 4.853 358 HB2 LYS 49 1HB LYS 49 0.333 11.192 5.516 359 HB3 LYS 49 2HB LYS 49 1.978 11.807 5.423 360 HG2 LYS 49 1HG LYS 49 0.762 10.741 2.937 361 HG3 LYS 49 2HG LYS 49 0.185 12.295 3.545 362 HD2 LYS 49 1HD LYS 49 3.092 11.637 3.084 363 HD3 LYS 49 2HD LYS 49 2.065 12.454 1.903 364 HE2 LYS 49 1HE LYS 49 1.575 14.040 3.958 365 HE3 LYS 49 2HE LYS 49 3.140 13.435 4.499 366 HZ1 LYS 49 1HZ LYS 49 3.013 15.546 3.032 367 HZ2 LYS 49 2HZ LYS 49 2.847 14.450 1.755 368 HZ3 LYS 49 3HZ LYS 49 4.223 14.401 2.737 369 H VAL 50 H VAL 50 1.577 8.945 2.657 370 HA VAL 50 HA VAL 50 4.439 8.609 2.212 371 HB VAL 50 HB VAL 50 3.856 7.491 0.159 372 HG11 VAL 50 1HG1 VAL 50 3.739 6.114 2.121 373 HG12 VAL 50 2HG1 VAL 50 2.098 6.663 2.463 374 HG13 VAL 50 3HG1 VAL 50 2.417 5.665 1.044 375 HG21 VAL 50 1HG2 VAL 50 2.077 8.811 -0.686 376 HG22 VAL 50 2HG2 VAL 50 1.419 7.195 -0.427 377 HG23 VAL 50 3HG2 VAL 50 1.071 8.484 0.725 378 H GLU 51 H GLU 51 5.647 9.806 0.819 379 HA GLU 51 HA GLU 51 4.499 12.330 -0.053 380 HB2 GLU 51 1HB GLU 51 6.928 12.778 -0.728 381 HB3 GLU 51 2HB GLU 51 6.582 12.622 0.988 382 HG2 GLU 51 1HG GLU 51 7.444 10.385 1.018 383 HG3 GLU 51 2HG GLU 51 7.646 10.397 -0.733 384 H GLU 52 H GLU 52 3.196 11.723 -1.790 385 HA GLU 52 HA GLU 52 3.862 10.051 -3.895 386 HB2 GLU 52 1HB GLU 52 1.973 12.324 -3.550 387 HB3 GLU 52 2HB GLU 52 2.292 11.776 -5.190 388 HG2 GLU 52 1HG GLU 52 1.269 9.766 -4.871 389 HG3 GLU 52 2HG GLU 52 1.618 9.735 -3.144 390 H SER 53 H SER 53 5.181 10.184 -5.598 391 HA SER 53 HA SER 53 5.895 12.598 -6.894 392 HB2 SER 53 1HB SER 53 7.269 12.489 -4.629 393 HB3 SER 53 2HB SER 53 8.294 11.406 -5.569 394 HG SER 53 HG SER 53 9.046 13.071 -6.593 395 H GLU 54 H GLU 54 8.147 12.046 -8.184 396 HA GLU 54 HA GLU 54 7.448 10.131 -10.073 397 HB2 GLU 54 1HB GLU 54 9.654 10.420 -10.998 398 HB3 GLU 54 2HB GLU 54 9.069 11.979 -10.436 399 HG2 GLU 54 1HG GLU 54 10.417 11.764 -8.415 400 HG3 GLU 54 2HG GLU 54 10.998 10.194 -8.968 401 H LEU 55 H LEU 55 9.215 9.812 -7.090 402 HA LEU 55 HA LEU 55 10.139 7.136 -7.709 403 HB2 LEU 55 1HB LEU 55 10.293 8.790 -5.195 404 HB3 LEU 55 2HB LEU 55 10.995 7.184 -5.373 405 HG LEU 55 HG LEU 55 11.790 9.589 -7.011 406 HD11 LEU 55 1HD1 LEU 55 12.296 9.681 -4.519 407 HD12 LEU 55 2HD1 LEU 55 13.660 9.862 -5.622 408 HD13 LEU 55 3HD1 LEU 55 13.386 8.324 -4.805 409 HD21 LEU 55 1HD2 LEU 55 12.264 6.789 -7.298 410 HD22 LEU 55 2HD2 LEU 55 13.783 7.595 -6.905 411 HD23 LEU 55 3HD2 LEU 55 12.840 8.121 -8.300 412 H LEU 56 H LEU 56 7.270 8.475 -6.699 413 HA LEU 56 HA LEU 56 6.392 5.900 -5.594 414 HB2 LEU 56 1HB LEU 56 6.792 7.662 -3.817 415 HB3 LEU 56 2HB LEU 56 5.440 8.545 -4.525 416 HG LEU 56 HG LEU 56 4.213 6.220 -4.105 417 HD11 LEU 56 1HD1 LEU 56 5.271 4.793 -2.782 418 HD12 LEU 56 2HD1 LEU 56 5.497 6.044 -1.560 419 HD13 LEU 56 3HD1 LEU 56 6.696 5.830 -2.835 420 HD21 LEU 56 1HD2 LEU 56 4.705 8.490 -2.202 421 HD22 LEU 56 2HD2 LEU 56 3.594 7.174 -1.818 422 HD23 LEU 56 3HD2 LEU 56 3.302 8.193 -3.229 423 H VAL 57 H VAL 57 5.036 5.145 -7.086 424 HA VAL 57 HA VAL 57 3.199 7.012 -8.419 425 HB VAL 57 HB VAL 57 3.697 4.154 -9.230 426 HG11 VAL 57 1HG1 VAL 57 2.657 4.698 -11.232 427 HG12 VAL 57 2HG1 VAL 57 1.704 5.588 -10.044 428 HG13 VAL 57 3HG1 VAL 57 2.915 6.428 -11.013 429 HG21 VAL 57 1HG2 VAL 57 5.093 5.648 -11.036 430 HG22 VAL 57 2HG2 VAL 57 5.437 6.491 -9.525 431 HG23 VAL 57 3HG2 VAL 57 5.806 4.774 -9.681 432 H VAL 58 H VAL 58 1.115 7.012 -7.903 433 HA VAL 58 HA VAL 58 0.045 4.711 -6.403 434 HB VAL 58 HB VAL 58 -0.868 7.590 -6.306 435 HG11 VAL 58 1HG1 VAL 58 -2.804 6.549 -5.754 436 HG12 VAL 58 2HG1 VAL 58 -1.992 5.061 -5.260 437 HG13 VAL 58 3HG1 VAL 58 -2.020 6.453 -4.177 438 HG21 VAL 58 1HG2 VAL 58 1.322 6.433 -5.069 439 HG22 VAL 58 2HG2 VAL 58 0.521 7.930 -4.594 440 HG23 VAL 58 3HG2 VAL 58 0.068 6.407 -3.829 441 H LYS 59 H LYS 59 -1.101 3.470 -7.741 442 HA LYS 59 HA LYS 59 -2.704 4.721 -9.851 443 HB2 LYS 59 1HB LYS 59 -2.359 1.759 -9.509 444 HB3 LYS 59 2HB LYS 59 -2.682 2.672 -10.977 445 HG2 LYS 59 1HG LYS 59 -0.087 2.725 -9.450 446 HG3 LYS 59 2HG LYS 59 -0.400 1.757 -10.893 447 HD2 LYS 59 1HD LYS 59 -0.931 4.681 -11.024 448 HD3 LYS 59 2HD LYS 59 0.750 4.140 -11.031 449 HE2 LYS 59 1HE LYS 59 -1.395 3.184 -12.925 450 HE3 LYS 59 2HE LYS 59 -0.182 4.406 -13.301 451 HZ1 LYS 59 1HZ LYS 59 1.079 2.094 -12.292 452 HZ2 LYS 59 2HZ LYS 59 1.254 2.819 -13.810 453 HZ3 LYS 59 3HZ LYS 59 0.052 1.655 -13.563 454 H MET 60 H MET 60 -4.884 4.675 -9.873 455 HA MET 60 HA MET 60 -6.230 3.203 -7.704 456 HB2 MET 60 1HB MET 60 -6.430 5.464 -7.088 457 HB3 MET 60 2HB MET 60 -6.707 5.983 -8.746 458 HG2 MET 60 1HG MET 60 -8.878 4.690 -8.644 459 HG3 MET 60 2HG MET 60 -8.602 4.557 -6.909 460 HE1 MET 60 1HE MET 60 -10.925 7.689 -8.833 461 HE2 MET 60 2HE MET 60 -10.247 6.244 -9.582 462 HE3 MET 60 3HE MET 60 -11.320 6.095 -8.190 463 H ASP 61 H ASP 61 -8.115 2.134 -8.189 464 HA ASP 61 HA ASP 61 -9.301 2.407 -10.825 465 HB2 ASP 61 1HB ASP 61 -7.721 0.030 -9.955 466 HB3 ASP 61 2HB ASP 61 -9.177 -0.245 -10.907 467 H GLY 62 H GLY 62 -11.366 1.364 -11.012 468 HA2 GLY 62 1HA GLY 62 -13.125 1.709 -8.989 469 HA3 GLY 62 2HA GLY 62 -13.351 0.477 -10.221 470 H ARG 63 H ARG 63 -12.808 1.088 -6.931 471 HA ARG 63 HA ARG 63 -12.550 -0.241 -5.102 472 HB2 ARG 63 1HB ARG 63 -13.766 -2.213 -7.035 473 HB3 ARG 63 2HB ARG 63 -13.463 -2.595 -5.346 474 HG2 ARG 63 1HG ARG 63 -14.987 -0.895 -4.623 475 HG3 ARG 63 2HG ARG 63 -15.184 -0.309 -6.276 476 HD2 ARG 63 1HD ARG 63 -16.298 -2.313 -6.932 477 HD3 ARG 63 2HD ARG 63 -15.899 -3.102 -5.407 478 HE ARG 63 HE ARG 63 -17.357 -0.922 -4.671 479 HH11 ARG 63 2HH1 ARG 63 -17.877 -3.601 -6.832 480 HH12 ARG 63 1HH1 ARG 63 -19.595 -3.618 -6.608 481 HH21 ARG 63 2HH2 ARG 63 -19.618 -0.933 -4.368 482 HH22 ARG 63 1HH2 ARG 63 -20.584 -2.099 -5.207 483 H LYS 64 H LYS 64 -10.234 0.136 -6.592 484 HA LYS 64 HA LYS 64 -8.689 -2.134 -5.725 485 HB2 LYS 64 1HB LYS 64 -8.867 -1.445 -8.662 486 HB3 LYS 64 2HB LYS 64 -7.618 -2.469 -7.967 487 HG2 LYS 64 1HG LYS 64 -9.416 -3.993 -7.159 488 HG3 LYS 64 2HG LYS 64 -10.576 -3.012 -8.058 489 HD2 LYS 64 1HD LYS 64 -9.695 -3.642 -10.120 490 HD3 LYS 64 2HD LYS 64 -8.160 -4.155 -9.415 491 HE2 LYS 64 1HE LYS 64 -9.065 -6.142 -8.595 492 HE3 LYS 64 2HE LYS 64 -10.720 -5.547 -8.715 493 HZ1 LYS 64 1HZ LYS 64 -10.879 -6.359 -10.755 494 HZ2 LYS 64 2HZ LYS 64 -9.366 -7.089 -10.559 495 HZ3 LYS 64 3HZ LYS 64 -9.480 -5.555 -11.262 496 H HIS 65 H HIS 65 -7.023 -1.237 -4.725 497 HA HIS 65 HA HIS 65 -5.719 1.093 -5.962 498 HB2 HIS 65 1HB HIS 65 -6.335 0.708 -3.026 499 HB3 HIS 65 2HB HIS 65 -5.310 1.987 -3.671 500 HD1 HIS 65 1HD HIS 65 -6.458 4.096 -4.323 501 HD2 HIS 65 2HD HIS 65 -9.104 0.911 -3.982 502 HE1 HIS 65 1HE HIS 65 -8.749 5.092 -4.606 503 HE2 HIS 65 2HE HIS 65 -10.338 3.161 -4.311 504 H ARG 66 H ARG 66 -3.544 1.017 -6.063 505 HA ARG 66 HA ARG 66 -2.081 -0.881 -4.400 506 HB2 ARG 66 1HB ARG 66 -0.820 -1.530 -6.601 507 HB3 ARG 66 2HB ARG 66 -2.321 -2.339 -6.172 508 HG2 ARG 66 1HG ARG 66 -3.500 -1.352 -7.856 509 HG3 ARG 66 2HG ARG 66 -2.477 0.086 -7.876 510 HD2 ARG 66 1HD ARG 66 -0.641 -1.466 -8.759 511 HD3 ARG 66 2HD ARG 66 -1.941 -2.618 -9.064 512 HE ARG 66 HE ARG 66 -2.442 -0.022 -10.176 513 HH11 ARG 66 2HH1 ARG 66 -0.879 -3.089 -10.691 514 HH12 ARG 66 1HH1 ARG 66 -0.895 -2.955 -12.419 515 HH21 ARG 66 2HH2 ARG 66 -2.470 0.167 -12.449 516 HH22 ARG 66 1HH2 ARG 66 -1.800 -1.102 -13.417 517 H LEU 67 H LEU 67 0.164 -0.449 -4.253 518 HA LEU 67 HA LEU 67 0.887 2.269 -5.125 519 HB2 LEU 67 1HB LEU 67 0.751 1.466 -2.607 520 HB3 LEU 67 2HB LEU 67 2.372 0.871 -2.961 521 HG LEU 67 HG LEU 67 2.567 3.011 -1.919 522 HD11 LEU 67 1HD1 LEU 67 3.612 4.343 -3.790 523 HD12 LEU 67 2HD1 LEU 67 3.073 3.068 -4.882 524 HD13 LEU 67 3HD1 LEU 67 4.210 2.697 -3.586 525 HD21 LEU 67 1HD2 LEU 67 0.553 3.888 -3.971 526 HD22 LEU 67 2HD2 LEU 67 1.569 5.030 -3.090 527 HD23 LEU 67 3HD2 LEU 67 0.445 3.989 -2.214 528 H ILE 68 H ILE 68 2.339 2.381 -6.693 529 HA ILE 68 HA ILE 68 4.135 0.099 -7.133 530 HB ILE 68 HB ILE 68 3.069 2.232 -8.950 531 HG12 ILE 68 1HG1 ILE 68 3.407 -0.647 -9.662 532 HG13 ILE 68 2HG1 ILE 68 2.156 -0.220 -8.500 533 HG21 ILE 68 1HG2 ILE 68 5.548 0.579 -9.383 534 HG22 ILE 68 2HG2 ILE 68 4.671 1.387 -10.681 535 HG23 ILE 68 3HG2 ILE 68 5.408 2.336 -9.391 536 HD11 ILE 68 1HD1 ILE 68 2.269 0.201 -11.391 537 HD12 ILE 68 2HD1 ILE 68 0.882 0.028 -10.315 538 HD13 ILE 68 3HD1 ILE 68 1.691 1.587 -10.466 539 H LEU 69 H LEU 69 6.355 0.415 -7.488 540 HA LEU 69 HA LEU 69 7.444 3.068 -6.908 541 HB2 LEU 69 1HB LEU 69 8.033 0.546 -5.386 542 HB3 LEU 69 2HB LEU 69 9.150 1.909 -5.411 543 HG LEU 69 HG LEU 69 6.304 2.229 -4.508 544 HD11 LEU 69 1HD1 LEU 69 7.368 2.069 -2.175 545 HD12 LEU 69 2HD1 LEU 69 8.654 1.172 -2.981 546 HD13 LEU 69 3HD1 LEU 69 6.997 0.572 -3.030 547 HD21 LEU 69 1HD2 LEU 69 8.066 3.869 -3.096 548 HD22 LEU 69 2HD2 LEU 69 6.959 4.349 -4.383 549 HD23 LEU 69 3HD2 LEU 69 8.625 3.916 -4.768 550 HA PRO 70 HA PRO 70 9.880 1.737 -10.399 551 HB2 PRO 70 1HB PRO 70 11.284 4.048 -10.640 552 HB3 PRO 70 2HB PRO 70 9.618 3.874 -11.202 553 HG2 PRO 70 1HG PRO 70 10.644 5.093 -8.668 554 HG3 PRO 70 2HG PRO 70 9.371 5.678 -9.755 555 HD2 PRO 70 1HD PRO 70 8.829 4.375 -7.444 556 HD3 PRO 70 2HD PRO 70 7.791 4.247 -8.878 557 H GLU 71 H GLU 71 11.244 3.279 -7.514 558 HA GLU 71 HA GLU 71 13.555 1.478 -7.735 559 HB2 GLU 71 1HB GLU 71 13.886 4.024 -8.393 560 HB3 GLU 71 2HB GLU 71 13.976 4.225 -6.649 561 HG2 GLU 71 1HG GLU 71 15.825 2.679 -6.526 562 HG3 GLU 71 2HG GLU 71 15.701 2.354 -8.255 563 H ALA 72 H ALA 72 12.925 0.118 -6.120 564 HA ALA 72 HA ALA 72 11.873 1.040 -3.626 565 HB1 ALA 72 1HB ALA 72 11.923 -1.375 -4.954 566 HB2 ALA 72 2HB ALA 72 12.990 -1.642 -3.575 567 HB3 ALA 72 3HB ALA 72 11.332 -1.100 -3.315 568 H LYS 73 H LYS 73 13.352 2.456 -2.713 569 HA LYS 73 HA LYS 73 16.091 1.638 -2.279 570 HB2 LYS 73 1HB LYS 73 14.532 4.082 -1.427 571 HB3 LYS 73 2HB LYS 73 16.227 3.825 -1.035 572 HG2 LYS 73 1HG LYS 73 16.589 3.588 -3.552 573 HG3 LYS 73 2HG LYS 73 14.976 4.285 -3.719 574 HD2 LYS 73 1HD LYS 73 15.708 6.239 -2.414 575 HD3 LYS 73 2HD LYS 73 17.326 5.544 -2.303 576 HE2 LYS 73 1HE LYS 73 17.554 6.988 -4.087 577 HE3 LYS 73 2HE LYS 73 17.176 5.469 -4.900 578 HZ1 LYS 73 1HZ LYS 73 15.118 6.190 -5.495 579 HZ2 LYS 73 2HZ LYS 73 15.918 7.679 -5.483 580 HZ3 LYS 73 3HZ LYS 73 14.953 7.227 -4.169 581 H VAL 74 H VAL 74 17.072 1.499 -0.174 582 HA VAL 74 HA VAL 74 15.916 -0.260 1.573 583 HB VAL 74 HB VAL 74 17.925 1.887 2.266 584 HG11 VAL 74 1HG1 VAL 74 17.504 1.199 4.365 585 HG12 VAL 74 2HG1 VAL 74 16.715 -0.285 3.830 586 HG13 VAL 74 3HG1 VAL 74 18.475 -0.199 3.906 587 HG21 VAL 74 1HG2 VAL 74 18.270 -0.007 0.413 588 HG22 VAL 74 2HG2 VAL 74 19.574 0.552 1.460 589 HG23 VAL 74 3HG2 VAL 74 18.709 -0.936 1.846 590 H GLN 75 H GLN 75 15.351 3.141 1.321 591 HA GLN 75 HA GLN 75 14.202 3.453 3.933 592 HB2 GLN 75 1HB GLN 75 14.162 5.198 1.470 593 HB3 GLN 75 2HB GLN 75 13.409 5.654 2.993 594 HG2 GLN 75 1HG GLN 75 16.311 4.924 2.814 595 HG3 GLN 75 2HG GLN 75 15.733 6.561 2.509 596 HE21 GLN 75 1HE2 GLN 75 17.452 6.431 4.450 597 HE22 GLN 75 2HE2 GLN 75 16.710 6.515 6.008 598 H ASP 76 H ASP 76 13.000 2.853 0.681 599 HA ASP 76 HA ASP 76 10.275 3.263 1.126 600 HB2 ASP 76 1HB ASP 76 11.735 1.418 -0.763 601 HB3 ASP 76 2HB ASP 76 9.982 1.596 -0.774 602 H SER 77 H SER 77 12.341 0.867 2.363 603 HA SER 77 HA SER 77 10.515 -1.277 2.640 604 HB2 SER 77 1HB SER 77 12.141 -2.299 4.012 605 HB3 SER 77 2HB SER 77 13.075 -1.318 2.884 606 HG SER 77 HG SER 77 13.807 -0.233 4.516 607 H GLY 78 H GLY 78 8.857 -1.544 3.983 608 HA2 GLY 78 1HA GLY 78 8.676 -0.955 6.648 609 HA3 GLY 78 2HA GLY 78 8.161 0.524 5.850 610 H GLU 79 H GLU 79 6.168 -0.051 7.115 611 HA GLU 79 HA GLU 79 4.547 -2.111 5.806 612 HB2 GLU 79 1HB GLU 79 4.714 -2.078 8.298 613 HB3 GLU 79 2HB GLU 79 3.920 -0.509 8.290 614 HG2 GLU 79 1HG GLU 79 2.291 -2.164 8.801 615 HG3 GLU 79 2HG GLU 79 1.970 -1.564 7.175 616 H PHE 80 H PHE 80 2.914 -1.627 4.478 617 HA PHE 80 HA PHE 80 2.239 1.211 4.122 618 HB2 PHE 80 1HB PHE 80 2.211 -1.144 2.255 619 HB3 PHE 80 2HB PHE 80 1.265 0.298 1.900 620 HD1 PHE 80 1HD PHE 80 4.722 -0.429 3.115 621 HD2 PHE 80 2HD PHE 80 2.244 1.709 0.394 622 HE1 PHE 80 1HE PHE 80 6.716 0.632 2.138 623 HE2 PHE 80 2HE PHE 80 4.233 2.772 -0.589 624 HZ PHE 80 HZ PHE 80 6.473 2.233 0.283 625 H GLU 81 H GLU 81 0.061 1.843 3.860 626 HA GLU 81 HA GLU 81 -2.029 -0.101 4.391 627 HB2 GLU 81 1HB GLU 81 -1.437 0.443 6.644 628 HB3 GLU 81 2HB GLU 81 -1.382 2.162 6.278 629 HG2 GLU 81 1HG GLU 81 -3.903 1.772 5.646 630 HG3 GLU 81 2HG GLU 81 -3.723 0.390 6.726 631 H CYS 82 H CYS 82 -3.816 0.386 3.284 632 HA CYS 82 HA CYS 82 -3.929 2.962 1.917 633 HB2 CYS 82 1HB CYS 82 -4.206 0.981 0.534 634 HB3 CYS 82 2HB CYS 82 -5.537 0.428 1.543 635 HG CYS 82 HG CYS 82 -5.649 3.324 -0.274 636 H ARG 83 H ARG 83 -4.450 4.009 4.017 637 HA ARG 83 HA ARG 83 -6.695 3.577 5.545 638 HB2 ARG 83 1HB ARG 83 -4.887 5.266 5.975 639 HB3 ARG 83 2HB ARG 83 -5.649 6.305 4.778 640 HG2 ARG 83 1HG ARG 83 -7.312 5.286 7.019 641 HG3 ARG 83 2HG ARG 83 -6.142 6.567 7.347 642 HD2 ARG 83 1HD ARG 83 -8.298 6.647 5.239 643 HD3 ARG 83 2HD ARG 83 -8.360 7.463 6.800 644 HE ARG 83 HE ARG 83 -6.075 8.146 5.176 645 HH11 ARG 83 2HH1 ARG 83 -9.373 8.902 5.997 646 HH12 ARG 83 1HH1 ARG 83 -9.267 10.546 5.461 647 HH21 ARG 83 2HH2 ARG 83 -5.923 10.309 4.467 648 HH22 ARG 83 1HH2 ARG 83 -7.305 11.345 4.590 649 H THR 84 H THR 84 -8.836 4.058 5.423 650 HA THR 84 HA THR 84 -9.882 5.696 3.280 651 HB THR 84 HB THR 84 -9.602 3.429 2.245 652 HG1 THR 84 1HG THR 84 -12.363 3.883 2.420 653 HG21 THR 84 1HG2 THR 84 -10.143 1.652 3.485 654 HG22 THR 84 2HG2 THR 84 -11.834 2.083 3.228 655 HG23 THR 84 3HG2 THR 84 -10.987 2.654 4.665 656 H GLU 85 H GLU 85 -12.364 5.687 3.377 657 HA GLU 85 HA GLU 85 -13.118 6.269 6.073 658 HB2 GLU 85 1HB GLU 85 -13.911 7.449 3.941 659 HB3 GLU 85 2HB GLU 85 -15.000 6.086 3.730 660 HG2 GLU 85 1HG GLU 85 -14.938 7.964 6.080 661 HG3 GLU 85 2HG GLU 85 -16.136 7.943 4.788 662 H GLY 86 H GLY 86 -12.617 3.994 6.787 663 HA2 GLY 86 1HA GLY 86 -14.848 2.643 7.605 664 HA3 GLY 86 2HA GLY 86 -14.456 1.913 6.055 665 H VAL 87 H VAL 87 -12.042 1.315 5.854 666 HA VAL 87 HA VAL 87 -10.901 0.426 8.392 667 HB VAL 87 HB VAL 87 -10.553 -1.859 7.583 668 HG11 VAL 87 1HG1 VAL 87 -12.427 -1.638 8.979 669 HG12 VAL 87 2HG1 VAL 87 -13.377 -0.846 7.720 670 HG13 VAL 87 3HG1 VAL 87 -13.002 -2.565 7.593 671 HG21 VAL 87 1HG2 VAL 87 -12.527 -1.561 5.401 672 HG22 VAL 87 2HG2 VAL 87 -10.911 -0.921 5.101 673 HG23 VAL 87 3HG2 VAL 87 -11.122 -2.620 5.523 674 H SER 88 H SER 88 -8.756 -0.847 7.821 675 HA SER 88 HA SER 88 -7.402 0.451 5.565 676 HB2 SER 88 1HB SER 88 -5.920 0.234 8.150 677 HB3 SER 88 2HB SER 88 -5.716 1.389 6.834 678 HG SER 88 HG SER 88 -7.819 2.240 7.514 679 H ALA 89 H ALA 89 -5.513 -0.634 4.828 680 HA ALA 89 HA ALA 89 -5.479 -3.481 5.564 681 HB1 ALA 89 1HB ALA 89 -4.856 -2.028 3.022 682 HB2 ALA 89 2HB ALA 89 -4.216 -3.645 3.315 683 HB3 ALA 89 3HB ALA 89 -5.959 -3.377 3.297 684 H PHE 90 H PHE 90 -3.345 -4.574 5.405 685 HA PHE 90 HA PHE 90 -1.121 -2.799 6.150 686 HB2 PHE 90 1HB PHE 90 -1.871 -5.397 7.506 687 HB3 PHE 90 2HB PHE 90 -0.416 -4.464 7.842 688 HD1 PHE 90 2HD PHE 90 -1.384 -1.731 7.928 689 HD2 PHE 90 1HD PHE 90 -3.179 -5.299 9.400 690 HE1 PHE 90 2HE PHE 90 -2.614 -0.416 9.604 691 HE2 PHE 90 1HE PHE 90 -4.413 -3.989 11.078 692 HZ PHE 90 HZ PHE 90 -4.130 -1.545 11.183 693 H PHE 91 H PHE 91 0.542 -3.062 4.831 694 HA PHE 91 HA PHE 91 1.010 -5.724 3.661 695 HB2 PHE 91 1HB PHE 91 1.384 -3.049 2.297 696 HB3 PHE 91 2HB PHE 91 1.793 -4.614 1.603 697 HD1 PHE 91 1HD PHE 91 0.068 -6.127 0.836 698 HD2 PHE 91 2HD PHE 91 -0.912 -2.332 2.496 699 HE1 PHE 91 1HE PHE 91 -2.213 -6.326 -0.064 700 HE2 PHE 91 2HE PHE 91 -3.195 -2.525 1.599 701 HZ PHE 91 HZ PHE 91 -3.848 -4.524 0.318 702 H GLY 92 H GLY 92 2.830 -6.528 4.463 703 HA2 GLY 92 1HA GLY 92 4.876 -4.803 5.558 704 HA3 GLY 92 2HA GLY 92 4.878 -6.560 5.560 705 H VAL 93 H VAL 93 6.564 -4.023 4.500 706 HA VAL 93 HA VAL 93 7.517 -5.467 2.114 707 HB VAL 93 HB VAL 93 7.213 -2.490 2.486 708 HG11 VAL 93 1HG1 VAL 93 8.628 -3.928 0.245 709 HG12 VAL 93 2HG1 VAL 93 8.361 -2.189 0.373 710 HG13 VAL 93 3HG1 VAL 93 9.419 -3.007 1.523 711 HG21 VAL 93 1HG2 VAL 93 5.411 -4.236 1.537 712 HG22 VAL 93 2HG2 VAL 93 5.548 -2.578 0.954 713 HG23 VAL 93 3HG2 VAL 93 6.300 -3.894 0.053 714 H THR 94 H THR 94 9.698 -5.673 1.864 715 HA THR 94 HA THR 94 11.469 -4.294 3.745 716 HB THR 94 HB THR 94 11.422 -7.295 3.372 717 HG1 THR 94 1HG THR 94 11.226 -5.893 5.821 718 HG21 THR 94 1HG2 THR 94 13.511 -5.447 4.319 719 HG22 THR 94 2HG2 THR 94 13.650 -7.085 3.679 720 HG23 THR 94 3HG2 THR 94 13.200 -6.832 5.365 721 H VAL 95 H VAL 95 12.915 -3.292 2.518 722 HA VAL 95 HA VAL 95 13.700 -4.462 -0.047 723 HB VAL 95 HB VAL 95 14.398 -1.729 1.028 724 HG11 VAL 95 1HG1 VAL 95 14.337 -2.658 -1.832 725 HG12 VAL 95 2HG1 VAL 95 15.058 -1.188 -1.173 726 HG13 VAL 95 3HG1 VAL 95 15.783 -2.759 -0.828 727 HG21 VAL 95 1HG2 VAL 95 12.081 -1.628 0.900 728 HG22 VAL 95 2HG2 VAL 95 12.587 -1.043 -0.685 729 HG23 VAL 95 3HG2 VAL 95 12.011 -2.699 -0.500 730 H GLN 96 H GLN 96 15.257 -5.957 0.315 731 HA GLN 96 HA GLN 96 17.493 -5.281 2.078 732 HB2 GLN 96 1HB GLN 96 16.603 -7.867 0.807 733 HB3 GLN 96 2HB GLN 96 18.137 -7.702 1.651 734 HG2 GLN 96 1HG GLN 96 17.097 -7.349 3.714 735 HG3 GLN 96 2HG GLN 96 15.540 -6.998 2.967 736 HE21 GLN 96 1HE2 GLN 96 14.620 -8.563 4.373 737 HE22 GLN 96 2HE2 GLN 96 14.755 -10.249 4.022 738 H ASP 97 H ASP 97 19.348 -4.559 1.286 739 HA ASP 97 HA ASP 97 19.765 -4.294 -1.525 740 HB2 ASP 97 1HB ASP 97 21.924 -3.292 -0.891 741 HB3 ASP 97 2HB ASP 97 20.594 -2.607 0.038 742 HA PRO 98 HA PRO 98 21.722 -8.166 -2.320 743 HB2 PRO 98 1HB PRO 98 22.910 -7.517 -4.673 744 HB3 PRO 98 2HB PRO 98 21.173 -7.809 -4.522 745 HG2 PRO 98 1HG PRO 98 22.657 -5.210 -4.606 746 HG3 PRO 98 2HG PRO 98 21.148 -5.664 -5.419 747 HD2 PRO 98 1HD PRO 98 21.194 -4.188 -3.149 748 HD3 PRO 98 2HD PRO 98 19.878 -5.318 -3.527 749 H SER 99 H SER 99 23.623 -9.084 -1.791 750 HA SER 99 HA SER 99 25.662 -7.696 -0.541 751 HB2 SER 99 1HB SER 99 25.835 -10.373 -1.948 752 HB3 SER 99 2HB SER 99 27.004 -9.761 -0.778 753 HG SER 99 HG SER 99 25.744 -10.689 0.623 754 H GLY 100 H GLY 100 26.981 -6.213 -1.352 755 HA2 GLY 100 1HA GLY 100 28.028 -6.630 -4.085 756 HA3 GLY 100 2HA GLY 100 27.628 -5.042 -3.448 757 HA PRO 101 HA PRO 101 32.008 -6.695 -2.153 758 HB2 PRO 101 1HB PRO 101 33.481 -6.553 -4.429 759 HB3 PRO 101 2HB PRO 101 32.659 -8.029 -3.907 760 HG2 PRO 101 1HG PRO 101 31.805 -6.001 -5.937 761 HG3 PRO 101 2HG PRO 101 31.726 -7.771 -6.021 762 HD2 PRO 101 1HD PRO 101 29.573 -6.243 -5.419 763 HD3 PRO 101 2HD PRO 101 29.806 -7.871 -4.749 764 H SER 102 H SER 102 31.672 -4.570 -1.187 765 HA SER 102 HA SER 102 31.965 -2.292 -0.986 766 HB2 SER 102 1HB SER 102 34.229 -3.497 -0.631 767 HB3 SER 102 2HB SER 102 34.668 -2.823 -2.200 768 HG SER 102 HG SER 102 35.193 -1.142 -1.047 769 H SER 103 H SER 103 30.587 -2.781 -3.333 770 HA SER 103 HA SER 103 31.869 -1.090 -5.356 771 HB2 SER 103 1HB SER 103 30.163 -1.922 -6.894 772 HB3 SER 103 2HB SER 103 30.966 -3.273 -6.096 773 HG SER 103 HG SER 103 29.142 -3.200 -4.580 774 H GLY 104 H GLY 104 31.159 0.907 -5.831 775 HA2 GLY 104 1HA GLY 104 28.773 1.856 -4.373 776 HA3 GLY 104 2HA GLY 104 30.154 2.865 -4.781 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -38.006 -1.332 7.013 2 HA2 GLY 1 1HA GLY 1 -37.662 1.133 7.098 3 HA3 GLY 1 2HA GLY 1 -36.518 0.277 8.122 4 H SER 2 H SER 2 -35.492 2.506 7.638 5 HA SER 2 HA SER 2 -34.224 2.776 5.072 6 HB2 SER 2 1HB SER 2 -33.892 4.282 7.674 7 HB3 SER 2 2HB SER 2 -33.026 4.690 6.193 8 HG SER 2 HG SER 2 -35.789 4.843 6.731 9 H SER 3 H SER 3 -33.099 2.055 8.369 10 HA SER 3 HA SER 3 -30.400 1.607 7.605 11 HB2 SER 3 1HB SER 3 -30.181 0.599 9.878 12 HB3 SER 3 2HB SER 3 -30.929 2.196 9.898 13 HG SER 3 HG SER 3 -31.892 0.103 11.011 14 H GLY 4 H GLY 4 -30.256 0.132 5.947 15 HA2 GLY 4 1HA GLY 4 -31.495 -2.492 6.264 16 HA3 GLY 4 2HA GLY 4 -30.656 -1.902 4.837 17 H SER 5 H SER 5 -28.226 -1.450 5.292 18 HA SER 5 HA SER 5 -27.140 -3.602 6.981 19 HB2 SER 5 1HB SER 5 -25.574 -4.239 5.276 20 HB3 SER 5 2HB SER 5 -27.175 -4.222 4.537 21 HG SER 5 HG SER 5 -25.931 -3.115 3.136 22 H SER 6 H SER 6 -25.336 -3.115 8.129 23 HA SER 6 HA SER 6 -24.480 -0.322 8.078 24 HB2 SER 6 1HB SER 6 -23.880 -2.510 10.084 25 HB3 SER 6 2HB SER 6 -23.440 -0.810 10.252 26 HG SER 6 HG SER 6 -25.316 -0.923 11.314 27 H GLY 7 H GLY 7 -22.719 0.240 6.996 28 HA2 GLY 7 1HA GLY 7 -20.186 -0.465 7.189 29 HA3 GLY 7 2HA GLY 7 -20.784 -1.818 6.240 30 HA PRO 8 HA PRO 8 -20.669 2.356 3.706 31 HB2 PRO 8 1HB PRO 8 -18.283 3.591 4.093 32 HB3 PRO 8 2HB PRO 8 -19.731 3.983 5.029 33 HG2 PRO 8 1HG PRO 8 -17.415 2.233 5.765 34 HG3 PRO 8 2HG PRO 8 -18.270 3.432 6.753 35 HD2 PRO 8 1HD PRO 8 -18.740 0.773 6.958 36 HD3 PRO 8 2HD PRO 8 -20.005 1.990 7.227 37 H VAL 9 H VAL 9 -17.566 0.773 4.483 38 HA VAL 9 HA VAL 9 -17.437 -0.441 1.881 39 HB VAL 9 HB VAL 9 -16.614 1.747 1.258 40 HG11 VAL 9 1HG1 VAL 9 -15.413 1.668 3.848 41 HG12 VAL 9 2HG1 VAL 9 -14.162 1.955 2.637 42 HG13 VAL 9 3HG1 VAL 9 -15.560 3.027 2.734 43 HG21 VAL 9 1HG2 VAL 9 -14.010 0.430 1.353 44 HG22 VAL 9 2HG2 VAL 9 -15.314 -0.624 0.805 45 HG23 VAL 9 3HG2 VAL 9 -14.996 0.895 -0.034 46 H HIS 10 H HIS 10 -16.645 -2.396 2.246 47 HA HIS 10 HA HIS 10 -14.700 -2.747 4.430 48 HB2 HIS 10 1HB HIS 10 -15.491 -5.115 4.493 49 HB3 HIS 10 2HB HIS 10 -16.739 -3.943 4.904 50 HD1 HIS 10 1HD HIS 10 -18.695 -3.658 3.233 51 HD2 HIS 10 2HD HIS 10 -15.932 -6.564 2.145 52 HE1 HIS 10 1HE HIS 10 -19.792 -4.972 1.390 53 HE2 HIS 10 2HE HIS 10 -18.135 -6.777 0.807 54 H ILE 11 H ILE 11 -12.766 -3.661 4.013 55 HA ILE 11 HA ILE 11 -11.913 -3.898 1.302 56 HB ILE 11 HB ILE 11 -10.567 -4.458 3.933 57 HG12 ILE 11 1HG1 ILE 11 -9.685 -2.532 1.806 58 HG13 ILE 11 2HG1 ILE 11 -10.995 -2.102 2.899 59 HG21 ILE 11 1HG2 ILE 11 -8.473 -4.774 2.570 60 HG22 ILE 11 2HG2 ILE 11 -9.632 -6.101 2.506 61 HG23 ILE 11 3HG2 ILE 11 -9.516 -4.966 1.161 62 HD11 ILE 11 1HD1 ILE 11 -9.397 -1.324 4.232 63 HD12 ILE 11 2HD1 ILE 11 -9.052 -3.013 4.605 64 HD13 ILE 11 3HD1 ILE 11 -8.129 -2.180 3.355 65 H LEU 12 H LEU 12 -11.514 -5.681 0.081 66 HA LEU 12 HA LEU 12 -12.569 -8.215 1.104 67 HB2 LEU 12 1HB LEU 12 -11.783 -7.881 -1.738 68 HB3 LEU 12 2HB LEU 12 -13.123 -8.784 -1.035 69 HG LEU 12 HG LEU 12 -13.040 -5.778 -1.264 70 HD11 LEU 12 1HD1 LEU 12 -14.876 -7.366 -2.938 71 HD12 LEU 12 2HD1 LEU 12 -13.173 -7.409 -3.393 72 HD13 LEU 12 3HD1 LEU 12 -14.020 -5.865 -3.293 73 HD21 LEU 12 1HD2 LEU 12 -15.223 -7.728 -0.542 74 HD22 LEU 12 2HD2 LEU 12 -15.477 -6.011 -0.859 75 HD23 LEU 12 3HD2 LEU 12 -14.484 -6.519 0.508 76 H SER 13 H SER 13 -9.678 -6.740 -0.211 77 HA SER 13 HA SER 13 -8.069 -8.900 0.821 78 HB2 SER 13 1HB SER 13 -8.641 -9.821 -1.363 79 HB3 SER 13 2HB SER 13 -8.127 -8.331 -2.153 80 HG SER 13 HG SER 13 -6.620 -10.296 -1.910 81 HA PRO 14 HA PRO 14 -5.942 -9.516 0.745 82 HB2 PRO 14 1HB PRO 14 -4.296 -9.191 2.880 83 HB3 PRO 14 2HB PRO 14 -3.735 -9.075 1.208 84 HG2 PRO 14 1HG PRO 14 -4.438 -6.887 3.126 85 HG3 PRO 14 2HG PRO 14 -3.069 -6.994 2.005 86 HD2 PRO 14 1HD PRO 14 -5.285 -5.535 1.464 87 HD3 PRO 14 2HD PRO 14 -4.338 -6.338 0.195 88 H GLN 15 H GLN 15 -6.278 -10.887 2.686 89 HA GLN 15 HA GLN 15 -8.594 -9.954 4.152 90 HB2 GLN 15 1HB GLN 15 -7.195 -12.632 4.114 91 HB3 GLN 15 2HB GLN 15 -8.673 -12.292 5.003 92 HG2 GLN 15 1HG GLN 15 -9.892 -11.926 2.995 93 HG3 GLN 15 2HG GLN 15 -8.419 -11.967 2.027 94 HE21 GLN 15 1HE2 GLN 15 -7.449 -13.933 1.573 95 HE22 GLN 15 2HE2 GLN 15 -8.258 -15.441 1.811 96 H ASP 16 H ASP 16 -5.218 -10.460 4.696 97 HA ASP 16 HA ASP 16 -5.431 -9.280 7.323 98 HB2 ASP 16 1HB ASP 16 -5.717 -11.867 7.499 99 HB3 ASP 16 2HB ASP 16 -3.981 -11.904 7.203 100 H LYS 17 H LYS 17 -3.016 -9.484 8.334 101 HA LYS 17 HA LYS 17 -1.413 -7.812 6.801 102 HB2 LYS 17 1HB LYS 17 -1.154 -8.035 9.218 103 HB3 LYS 17 2HB LYS 17 -0.599 -9.692 9.025 104 HG2 LYS 17 1HG LYS 17 1.340 -8.434 9.374 105 HG3 LYS 17 2HG LYS 17 1.299 -8.732 7.635 106 HD2 LYS 17 1HD LYS 17 0.065 -6.449 7.534 107 HD3 LYS 17 2HD LYS 17 0.759 -6.199 9.137 108 HE2 LYS 17 1HE LYS 17 2.445 -7.032 6.797 109 HE3 LYS 17 2HE LYS 17 2.072 -5.338 7.112 110 HZ1 LYS 17 1HZ LYS 17 3.780 -5.337 8.502 111 HZ2 LYS 17 2HZ LYS 17 3.985 -7.011 8.372 112 HZ3 LYS 17 3HZ LYS 17 2.915 -6.377 9.519 113 H VAL 18 H VAL 18 0.051 -8.108 5.232 114 HA VAL 18 HA VAL 18 0.672 -10.882 4.458 115 HB VAL 18 HB VAL 18 1.058 -10.061 2.197 116 HG11 VAL 18 1HG1 VAL 18 -1.241 -10.706 3.006 117 HG12 VAL 18 2HG1 VAL 18 -1.585 -8.981 3.150 118 HG13 VAL 18 3HG1 VAL 18 -1.197 -9.676 1.576 119 HG21 VAL 18 1HG2 VAL 18 1.760 -7.743 3.069 120 HG22 VAL 18 2HG2 VAL 18 0.889 -7.830 1.538 121 HG23 VAL 18 3HG2 VAL 18 0.039 -7.361 3.010 122 H SER 19 H SER 19 2.803 -11.098 3.275 123 HA SER 19 HA SER 19 4.856 -9.299 4.357 124 HB2 SER 19 1HB SER 19 6.273 -11.253 4.918 125 HB3 SER 19 2HB SER 19 4.783 -11.221 5.860 126 HG SER 19 HG SER 19 5.237 -13.302 5.002 127 H LEU 20 H LEU 20 6.233 -8.641 2.847 128 HA LEU 20 HA LEU 20 6.720 -10.356 0.513 129 HB2 LEU 20 1HB LEU 20 6.447 -7.390 0.215 130 HB3 LEU 20 2HB LEU 20 6.377 -8.640 -1.026 131 HG LEU 20 HG LEU 20 4.243 -8.459 1.068 132 HD11 LEU 20 1HD1 LEU 20 3.231 -7.196 -1.174 133 HD12 LEU 20 2HD1 LEU 20 4.831 -6.483 -0.968 134 HD13 LEU 20 3HD1 LEU 20 3.667 -6.433 0.355 135 HD21 LEU 20 1HD2 LEU 20 2.918 -9.332 -0.917 136 HD22 LEU 20 2HD2 LEU 20 4.111 -10.426 -0.217 137 HD23 LEU 20 3HD2 LEU 20 4.473 -9.569 -1.716 138 H THR 21 H THR 21 8.693 -9.823 -0.656 139 HA THR 21 HA THR 21 10.630 -8.207 0.828 140 HB THR 21 HB THR 21 11.273 -11.020 -0.069 141 HG1 THR 21 1HG THR 21 10.931 -10.115 2.607 142 HG21 THR 21 1HG2 THR 21 13.090 -10.259 1.844 143 HG22 THR 21 2HG2 THR 21 12.828 -8.763 0.948 144 HG23 THR 21 3HG2 THR 21 13.362 -10.216 0.103 145 H PHE 22 H PHE 22 12.287 -7.352 -0.415 146 HA PHE 22 HA PHE 22 12.525 -8.097 -3.209 147 HB2 PHE 22 1HB PHE 22 11.777 -5.269 -2.434 148 HB3 PHE 22 2HB PHE 22 12.104 -5.854 -4.062 149 HD1 PHE 22 1HD PHE 22 9.711 -5.830 -1.296 150 HD2 PHE 22 2HD PHE 22 10.478 -7.160 -5.266 151 HE1 PHE 22 1HE PHE 22 7.328 -6.381 -1.568 152 HE2 PHE 22 2HE PHE 22 8.097 -7.712 -5.545 153 HZ PHE 22 HZ PHE 22 6.518 -7.322 -3.695 154 H THR 23 H THR 23 14.208 -6.578 -4.289 155 HA THR 23 HA THR 23 16.394 -6.182 -2.354 156 HB THR 23 HB THR 23 16.585 -6.809 -5.307 157 HG1 THR 23 1HG THR 23 16.726 -8.354 -2.962 158 HG21 THR 23 1HG2 THR 23 18.997 -7.072 -4.853 159 HG22 THR 23 2HG2 THR 23 18.735 -6.487 -3.210 160 HG23 THR 23 3HG2 THR 23 18.442 -5.420 -4.583 161 H THR 24 H THR 24 17.642 -4.331 -2.444 162 HA THR 24 HA THR 24 16.497 -1.920 -2.981 163 HB THR 24 HB THR 24 19.447 -2.549 -3.206 164 HG1 THR 24 1HG THR 24 19.270 -1.605 -0.964 165 HG21 THR 24 1HG2 THR 24 19.715 -0.407 -3.758 166 HG22 THR 24 2HG2 THR 24 19.023 0.040 -2.199 167 HG23 THR 24 3HG2 THR 24 17.983 -0.112 -3.615 168 H SER 25 H SER 25 16.390 -0.484 -4.671 169 HA SER 25 HA SER 25 16.286 0.244 -6.824 170 HB2 SER 25 1HB SER 25 18.680 -1.583 -7.118 171 HB3 SER 25 2HB SER 25 18.117 -0.484 -8.377 172 HG SER 25 HG SER 25 19.790 0.105 -6.517 173 H GLU 26 H GLU 26 14.438 -1.614 -6.206 174 HA GLU 26 HA GLU 26 14.270 -3.221 -8.667 175 HB2 GLU 26 1HB GLU 26 13.569 -4.011 -5.848 176 HB3 GLU 26 2HB GLU 26 12.878 -4.836 -7.238 177 HG2 GLU 26 1HG GLU 26 15.839 -4.535 -6.964 178 HG3 GLU 26 2HG GLU 26 14.977 -5.812 -6.109 179 H ARG 27 H ARG 27 11.849 -4.031 -8.866 180 HA ARG 27 HA ARG 27 10.186 -1.617 -8.628 181 HB2 ARG 27 1HB ARG 27 10.744 -2.778 -10.901 182 HB3 ARG 27 2HB ARG 27 9.513 -3.932 -10.408 183 HG2 ARG 27 1HG ARG 27 7.889 -2.109 -10.218 184 HG3 ARG 27 2HG ARG 27 9.127 -0.965 -10.738 185 HD2 ARG 27 1HD ARG 27 9.353 -2.301 -12.842 186 HD3 ARG 27 2HD ARG 27 7.958 -3.246 -12.322 187 HE ARG 27 HE ARG 27 6.627 -1.546 -13.043 188 HH11 ARG 27 2HH1 ARG 27 9.808 -0.270 -12.433 189 HH12 ARG 27 1HH1 ARG 27 9.425 1.317 -13.015 190 HH21 ARG 27 2HH2 ARG 27 6.110 0.538 -13.811 191 HH22 ARG 27 1HH2 ARG 27 7.321 1.776 -13.797 192 H VAL 28 H VAL 28 8.690 -1.643 -7.097 193 HA VAL 28 HA VAL 28 7.558 -4.237 -6.272 194 HB VAL 28 HB VAL 28 7.968 -1.726 -4.647 195 HG11 VAL 28 1HG1 VAL 28 6.683 -4.302 -3.755 196 HG12 VAL 28 2HG1 VAL 28 6.902 -2.832 -2.804 197 HG13 VAL 28 3HG1 VAL 28 5.793 -2.840 -4.176 198 HG21 VAL 28 1HG2 VAL 28 9.041 -3.930 -3.337 199 HG22 VAL 28 2HG2 VAL 28 9.483 -4.160 -5.028 200 HG23 VAL 28 3HG2 VAL 28 9.933 -2.673 -4.194 201 H VAL 29 H VAL 29 5.391 -4.499 -6.271 202 HA VAL 29 HA VAL 29 3.668 -2.161 -6.639 203 HB VAL 29 HB VAL 29 3.454 -4.606 -8.398 204 HG11 VAL 29 1HG1 VAL 29 2.076 -2.451 -9.509 205 HG12 VAL 29 2HG1 VAL 29 1.379 -3.877 -8.737 206 HG13 VAL 29 3HG1 VAL 29 1.676 -2.417 -7.792 207 HG21 VAL 29 1HG2 VAL 29 5.298 -3.605 -9.318 208 HG22 VAL 29 2HG2 VAL 29 4.019 -2.735 -10.163 209 HG23 VAL 29 3HG2 VAL 29 4.827 -1.992 -8.783 210 H LEU 30 H LEU 30 2.304 -2.264 -4.983 211 HA LEU 30 HA LEU 30 1.553 -4.809 -3.821 212 HB2 LEU 30 1HB LEU 30 0.753 -1.995 -3.091 213 HB3 LEU 30 2HB LEU 30 0.368 -3.441 -2.160 214 HG LEU 30 HG LEU 30 3.186 -2.513 -2.688 215 HD11 LEU 30 1HD1 LEU 30 1.566 -2.054 -0.193 216 HD12 LEU 30 2HD1 LEU 30 1.837 -0.828 -1.430 217 HD13 LEU 30 3HD1 LEU 30 3.203 -1.494 -0.534 218 HD21 LEU 30 1HD2 LEU 30 3.618 -3.952 -0.685 219 HD22 LEU 30 2HD2 LEU 30 3.096 -4.827 -2.125 220 HD23 LEU 30 3HD2 LEU 30 1.955 -4.524 -0.814 221 H THR 31 H THR 31 -0.954 -4.621 -3.007 222 HA THR 31 HA THR 31 -2.727 -3.759 -5.117 223 HB THR 31 HB THR 31 -2.662 -6.709 -4.478 224 HG1 THR 31 1HG THR 31 -0.842 -6.446 -5.659 225 HG21 THR 31 1HG2 THR 31 -4.799 -6.176 -5.253 226 HG22 THR 31 2HG2 THR 31 -3.957 -6.690 -6.715 227 HG23 THR 31 3HG2 THR 31 -4.191 -4.973 -6.389 228 H CYS 32 H CYS 32 -4.843 -3.564 -4.449 229 HA CYS 32 HA CYS 32 -5.729 -4.735 -1.964 230 HB2 CYS 32 1HB CYS 32 -4.443 -2.685 -1.281 231 HB3 CYS 32 2HB CYS 32 -5.611 -1.723 -2.179 232 HG CYS 32 HG CYS 32 -6.742 -3.822 0.238 233 H GLU 33 H GLU 33 -7.925 -4.888 -1.840 234 HA GLU 33 HA GLU 33 -9.441 -3.683 -4.062 235 HB2 GLU 33 1HB GLU 33 -9.190 -6.191 -4.098 236 HB3 GLU 33 2HB GLU 33 -10.124 -6.241 -2.610 237 HG2 GLU 33 1HG GLU 33 -12.074 -5.554 -3.658 238 HG3 GLU 33 2HG GLU 33 -11.210 -4.883 -5.040 239 H LEU 34 H LEU 34 -11.569 -2.965 -3.645 240 HA LEU 34 HA LEU 34 -12.239 -2.624 -0.800 241 HB2 LEU 34 1HB LEU 34 -12.227 -0.579 -2.995 242 HB3 LEU 34 2HB LEU 34 -13.219 -0.379 -1.553 243 HG LEU 34 HG LEU 34 -10.208 -0.560 -1.646 244 HD11 LEU 34 1HD1 LEU 34 -10.332 1.766 -0.836 245 HD12 LEU 34 2HD1 LEU 34 -12.082 1.726 -1.054 246 HD13 LEU 34 3HD1 LEU 34 -11.016 1.567 -2.450 247 HD21 LEU 34 1HD2 LEU 34 -10.634 0.221 0.820 248 HD22 LEU 34 2HD2 LEU 34 -10.656 -1.493 0.402 249 HD23 LEU 34 3HD2 LEU 34 -12.173 -0.612 0.595 250 H SER 35 H SER 35 -14.595 -1.795 -0.607 251 HA SER 35 HA SER 35 -16.241 -3.602 -2.210 252 HB2 SER 35 1HB SER 35 -16.533 -3.854 0.164 253 HB3 SER 35 2HB SER 35 -16.779 -2.120 0.372 254 HG SER 35 HG SER 35 -18.540 -4.071 -0.455 255 H ARG 36 H ARG 36 -15.373 -0.369 -2.126 256 HA ARG 36 HA ARG 36 -17.802 0.392 -3.612 257 HB2 ARG 36 1HB ARG 36 -16.112 2.034 -1.726 258 HB3 ARG 36 2HB ARG 36 -17.265 2.751 -2.844 259 HG2 ARG 36 1HG ARG 36 -19.007 1.244 -1.762 260 HG3 ARG 36 2HG ARG 36 -17.806 0.962 -0.500 261 HD2 ARG 36 1HD ARG 36 -19.293 2.748 0.168 262 HD3 ARG 36 2HD ARG 36 -17.676 3.392 -0.117 263 HE ARG 36 HE ARG 36 -18.963 3.739 -2.492 264 HH11 ARG 36 2HH1 ARG 36 -19.614 4.659 0.801 265 HH12 ARG 36 1HH1 ARG 36 -20.471 6.101 0.367 266 HH21 ARG 36 2HH2 ARG 36 -20.089 5.634 -3.077 267 HH22 ARG 36 1HH2 ARG 36 -20.742 6.654 -1.840 268 H VAL 37 H VAL 37 -17.547 1.370 -5.559 269 HA VAL 37 HA VAL 37 -14.904 1.284 -6.736 270 HB VAL 37 HB VAL 37 -17.535 2.095 -7.982 271 HG11 VAL 37 1HG1 VAL 37 -16.471 1.957 -10.085 272 HG12 VAL 37 2HG1 VAL 37 -15.395 2.914 -9.065 273 HG13 VAL 37 3HG1 VAL 37 -15.027 1.220 -9.392 274 HG21 VAL 37 1HG2 VAL 37 -17.884 -0.081 -8.629 275 HG22 VAL 37 2HG2 VAL 37 -16.174 -0.503 -8.522 276 HG23 VAL 37 3HG2 VAL 37 -17.133 -0.327 -7.052 277 H ASP 38 H ASP 38 -13.712 3.000 -7.455 278 HA ASP 38 HA ASP 38 -12.868 5.115 -7.443 279 HB2 ASP 38 1HB ASP 38 -15.751 5.503 -8.138 280 HB3 ASP 38 2HB ASP 38 -14.746 6.920 -7.852 281 H PHE 39 H PHE 39 -13.141 4.114 -4.928 282 HA PHE 39 HA PHE 39 -14.391 6.201 -3.305 283 HB2 PHE 39 1HB PHE 39 -14.516 3.580 -2.935 284 HB3 PHE 39 2HB PHE 39 -12.995 3.856 -2.093 285 HD1 PHE 39 2HD PHE 39 -16.320 5.549 -2.282 286 HD2 PHE 39 1HD PHE 39 -13.200 4.019 0.176 287 HE1 PHE 39 2HE PHE 39 -17.563 6.246 -0.276 288 HE2 PHE 39 1HE PHE 39 -14.438 4.713 2.186 289 HZ PHE 39 HZ PHE 39 -16.622 5.829 1.961 290 HA PRO 40 HA PRO 40 -10.558 8.243 -2.562 291 HB2 PRO 40 1HB PRO 40 -11.230 9.552 -0.281 292 HB3 PRO 40 2HB PRO 40 -11.824 10.033 -1.875 293 HG2 PRO 40 1HG PRO 40 -13.187 8.421 0.247 294 HG3 PRO 40 2HG PRO 40 -13.845 9.718 -0.768 295 HD2 PRO 40 1HD PRO 40 -14.281 7.097 -1.289 296 HD3 PRO 40 2HD PRO 40 -14.159 8.318 -2.572 297 H ALA 41 H ALA 41 -8.710 8.029 -1.338 298 HA ALA 41 HA ALA 41 -8.693 6.806 1.247 299 HB1 ALA 41 1HB ALA 41 -7.314 5.156 -0.833 300 HB2 ALA 41 2HB ALA 41 -7.821 4.709 0.797 301 HB3 ALA 41 3HB ALA 41 -9.023 4.902 -0.479 302 H THR 42 H THR 42 -6.220 6.050 1.647 303 HA THR 42 HA THR 42 -4.305 7.760 0.320 304 HB THR 42 HB THR 42 -5.044 8.235 3.212 305 HG1 THR 42 1HG THR 42 -5.781 10.126 2.490 306 HG21 THR 42 1HG2 THR 42 -3.174 9.826 3.264 307 HG22 THR 42 2HG2 THR 42 -2.702 9.321 1.641 308 HG23 THR 42 3HG2 THR 42 -2.612 8.179 2.981 309 H TRP 43 H TRP 43 -2.207 7.082 0.590 310 HA TRP 43 HA TRP 43 -1.890 4.521 1.967 311 HB2 TRP 43 1HB TRP 43 -0.243 5.936 -0.129 312 HB3 TRP 43 2HB TRP 43 0.313 4.482 0.694 313 HD1 TRP 43 HD TRP 43 -2.241 5.672 -1.889 314 HE1 TRP 43 1HE TRP 43 -3.177 3.620 -3.130 315 HE3 TRP 43 3HE TRP 43 -0.142 1.977 0.954 316 HZ2 TRP 43 2HZ TRP 43 -3.044 0.807 -2.929 317 HZ3 TRP 43 3HZ TRP 43 -0.597 -0.368 0.363 318 HH2 TRP 43 HH TRP 43 -2.018 -0.938 -1.538 319 H TYR 44 H TYR 44 -0.570 4.221 3.678 320 HA TYR 44 HA TYR 44 1.086 6.493 4.552 321 HB2 TYR 44 1HB TYR 44 -0.768 4.795 6.224 322 HB3 TYR 44 2HB TYR 44 0.487 5.815 6.919 323 HD1 TYR 44 2HD TYR 44 0.356 8.289 6.634 324 HD2 TYR 44 1HD TYR 44 -2.822 5.716 5.458 325 HE1 TYR 44 2HE TYR 44 -1.178 10.212 6.591 326 HE2 TYR 44 1HE TYR 44 -4.364 7.631 5.411 327 HH TYR 44 HH TYR 44 -4.382 9.977 5.287 328 H LYS 45 H LYS 45 3.017 5.993 5.572 329 HA LYS 45 HA LYS 45 3.753 3.144 5.656 330 HB2 LYS 45 1HB LYS 45 4.678 4.364 3.645 331 HB3 LYS 45 2HB LYS 45 5.608 5.352 4.763 332 HG2 LYS 45 1HG LYS 45 6.488 3.088 5.653 333 HG3 LYS 45 2HG LYS 45 5.897 2.450 4.117 334 HD2 LYS 45 1HD LYS 45 7.419 3.663 2.877 335 HD3 LYS 45 2HD LYS 45 7.617 4.892 4.129 336 HE2 LYS 45 1HE LYS 45 8.477 2.100 4.709 337 HE3 LYS 45 2HE LYS 45 9.487 3.094 3.661 338 HZ1 LYS 45 1HZ LYS 45 8.840 3.461 6.505 339 HZ2 LYS 45 2HZ LYS 45 9.222 4.813 5.563 340 HZ3 LYS 45 3HZ LYS 45 10.339 3.553 5.727 341 H ASP 46 H ASP 46 4.607 2.505 7.526 342 HA ASP 46 HA ASP 46 5.342 2.564 9.682 343 HB2 ASP 46 1HB ASP 46 7.325 3.510 8.225 344 HB3 ASP 46 2HB ASP 46 6.957 5.008 9.077 345 H GLY 47 H GLY 47 2.990 4.214 8.922 346 HA2 GLY 47 1HA GLY 47 1.493 5.447 10.189 347 HA3 GLY 47 2HA GLY 47 2.724 5.595 11.435 348 H GLN 48 H GLN 48 3.355 6.507 8.130 349 HA GLN 48 HA GLN 48 2.994 9.338 8.789 350 HB2 GLN 48 1HB GLN 48 5.546 8.112 7.733 351 HB3 GLN 48 2HB GLN 48 5.218 9.840 7.754 352 HG2 GLN 48 1HG GLN 48 4.804 9.442 10.297 353 HG3 GLN 48 2HG GLN 48 5.759 7.986 10.022 354 HE21 GLN 48 1HE2 GLN 48 7.840 8.387 8.805 355 HE22 GLN 48 2HE2 GLN 48 8.753 9.777 9.274 356 H LYS 49 H LYS 49 1.996 10.395 7.208 357 HA LYS 49 HA LYS 49 0.952 9.265 4.946 358 HB2 LYS 49 1HB LYS 49 0.344 11.495 5.900 359 HB3 LYS 49 2HB LYS 49 1.805 12.156 5.177 360 HG2 LYS 49 1HG LYS 49 0.907 11.358 2.952 361 HG3 LYS 49 2HG LYS 49 -0.620 11.061 3.785 362 HD2 LYS 49 1HD LYS 49 -0.638 13.435 4.500 363 HD3 LYS 49 2HD LYS 49 0.823 13.701 3.545 364 HE2 LYS 49 1HE LYS 49 -1.595 12.504 2.260 365 HE3 LYS 49 2HE LYS 49 -1.526 14.243 2.540 366 HZ1 LYS 49 1HZ LYS 49 0.703 14.136 1.366 367 HZ2 LYS 49 2HZ LYS 49 -0.674 13.935 0.404 368 HZ3 LYS 49 3HZ LYS 49 0.250 12.590 0.850 369 H VAL 50 H VAL 50 1.699 8.632 3.027 370 HA VAL 50 HA VAL 50 4.495 8.800 2.438 371 HB VAL 50 HB VAL 50 4.033 7.487 0.493 372 HG11 VAL 50 1HG1 VAL 50 2.702 6.786 3.035 373 HG12 VAL 50 2HG1 VAL 50 2.290 5.799 1.631 374 HG13 VAL 50 3HG1 VAL 50 3.971 5.944 2.147 375 HG21 VAL 50 1HG2 VAL 50 1.243 7.117 0.502 376 HG22 VAL 50 2HG2 VAL 50 1.520 8.857 0.559 377 HG23 VAL 50 3HG2 VAL 50 2.228 7.894 -0.738 378 H GLU 51 H GLU 51 5.516 9.890 0.761 379 HA GLU 51 HA GLU 51 4.061 12.240 -0.220 380 HB2 GLU 51 1HB GLU 51 5.959 13.093 0.734 381 HB3 GLU 51 2HB GLU 51 6.907 11.651 0.397 382 HG2 GLU 51 1HG GLU 51 7.403 12.318 -1.759 383 HG3 GLU 51 2HG GLU 51 6.037 13.429 -1.838 384 H GLU 52 H GLU 52 3.144 11.925 -2.141 385 HA GLU 52 HA GLU 52 4.014 9.998 -4.028 386 HB2 GLU 52 1HB GLU 52 1.976 12.168 -3.978 387 HB3 GLU 52 2HB GLU 52 2.457 11.537 -5.547 388 HG2 GLU 52 1HG GLU 52 1.568 9.463 -5.144 389 HG3 GLU 52 2HG GLU 52 1.696 9.629 -3.393 390 H SER 53 H SER 53 5.481 10.114 -5.601 391 HA SER 53 HA SER 53 6.199 12.591 -6.864 392 HB2 SER 53 1HB SER 53 8.451 12.774 -6.148 393 HB3 SER 53 2HB SER 53 7.518 12.535 -4.672 394 HG SER 53 HG SER 53 8.052 10.165 -5.214 395 H GLU 54 H GLU 54 8.435 12.035 -8.161 396 HA GLU 54 HA GLU 54 7.687 10.204 -10.131 397 HB2 GLU 54 1HB GLU 54 9.794 10.605 -11.135 398 HB3 GLU 54 2HB GLU 54 9.351 12.106 -10.334 399 HG2 GLU 54 1HG GLU 54 10.817 11.551 -8.467 400 HG3 GLU 54 2HG GLU 54 11.256 10.038 -9.258 401 H LEU 55 H LEU 55 9.121 9.681 -7.082 402 HA LEU 55 HA LEU 55 10.162 7.055 -7.841 403 HB2 LEU 55 1HB LEU 55 10.337 8.598 -5.258 404 HB3 LEU 55 2HB LEU 55 11.039 7.003 -5.522 405 HG LEU 55 HG LEU 55 11.824 9.493 -7.035 406 HD11 LEU 55 1HD1 LEU 55 13.717 8.231 -5.175 407 HD12 LEU 55 2HD1 LEU 55 12.356 9.060 -4.422 408 HD13 LEU 55 3HD1 LEU 55 13.422 9.936 -5.520 409 HD21 LEU 55 1HD2 LEU 55 12.311 7.640 -8.389 410 HD22 LEU 55 2HD2 LEU 55 12.820 6.659 -7.015 411 HD23 LEU 55 3HD2 LEU 55 13.825 8.003 -7.560 412 H LEU 56 H LEU 56 7.331 8.424 -6.715 413 HA LEU 56 HA LEU 56 6.428 5.824 -5.676 414 HB2 LEU 56 1HB LEU 56 6.800 7.628 -3.915 415 HB3 LEU 56 2HB LEU 56 5.419 8.454 -4.633 416 HG LEU 56 HG LEU 56 4.255 6.114 -4.188 417 HD11 LEU 56 1HD1 LEU 56 6.624 5.425 -3.214 418 HD12 LEU 56 2HD1 LEU 56 5.116 4.820 -2.530 419 HD13 LEU 56 3HD1 LEU 56 5.955 6.165 -1.759 420 HD21 LEU 56 1HD2 LEU 56 4.733 8.369 -2.261 421 HD22 LEU 56 2HD2 LEU 56 3.633 7.039 -1.899 422 HD23 LEU 56 3HD2 LEU 56 3.332 8.080 -3.292 423 H VAL 57 H VAL 57 5.080 5.054 -7.164 424 HA VAL 57 HA VAL 57 3.251 6.913 -8.523 425 HB VAL 57 HB VAL 57 3.823 4.075 -9.356 426 HG11 VAL 57 1HG1 VAL 57 3.232 5.428 -11.605 427 HG12 VAL 57 2HG1 VAL 57 2.023 4.615 -10.610 428 HG13 VAL 57 3HG1 VAL 57 2.288 6.350 -10.436 429 HG21 VAL 57 1HG2 VAL 57 5.894 4.720 -9.878 430 HG22 VAL 57 2HG2 VAL 57 5.159 5.721 -11.130 431 HG23 VAL 57 3HG2 VAL 57 5.532 6.415 -9.552 432 H VAL 58 H VAL 58 1.155 6.868 -8.052 433 HA VAL 58 HA VAL 58 0.083 4.498 -6.663 434 HB VAL 58 HB VAL 58 -0.782 7.373 -6.320 435 HG11 VAL 58 1HG1 VAL 58 -2.721 6.405 -5.738 436 HG12 VAL 58 2HG1 VAL 58 -1.989 4.808 -5.573 437 HG13 VAL 58 3HG1 VAL 58 -1.869 5.975 -4.255 438 HG21 VAL 58 1HG2 VAL 58 0.614 5.557 -4.359 439 HG22 VAL 58 2HG2 VAL 58 1.414 6.814 -5.302 440 HG23 VAL 58 3HG2 VAL 58 0.182 7.250 -4.118 441 H LYS 59 H LYS 59 -1.413 3.431 -7.760 442 HA LYS 59 HA LYS 59 -2.846 4.821 -9.918 443 HB2 LYS 59 1HB LYS 59 -2.364 1.869 -9.474 444 HB3 LYS 59 2HB LYS 59 -3.298 2.544 -10.803 445 HG2 LYS 59 1HG LYS 59 -0.438 3.312 -10.334 446 HG3 LYS 59 2HG LYS 59 -0.885 1.883 -11.269 447 HD2 LYS 59 1HD LYS 59 -1.893 3.145 -12.945 448 HD3 LYS 59 2HD LYS 59 -2.075 4.559 -11.904 449 HE2 LYS 59 1HE LYS 59 0.417 4.765 -11.892 450 HE3 LYS 59 2HE LYS 59 0.475 3.477 -13.095 451 HZ1 LYS 59 1HZ LYS 59 0.114 4.971 -14.666 452 HZ2 LYS 59 2HZ LYS 59 0.077 6.209 -13.514 453 HZ3 LYS 59 3HZ LYS 59 -1.353 5.420 -13.954 454 H MET 60 H MET 60 -5.017 5.003 -9.898 455 HA MET 60 HA MET 60 -6.492 3.587 -7.780 456 HB2 MET 60 1HB MET 60 -6.131 5.994 -7.235 457 HB3 MET 60 2HB MET 60 -7.012 6.420 -8.696 458 HG2 MET 60 1HG MET 60 -8.916 5.005 -7.694 459 HG3 MET 60 2HG MET 60 -8.031 5.172 -6.180 460 HE1 MET 60 1HE MET 60 -10.365 6.726 -8.741 461 HE2 MET 60 2HE MET 60 -11.107 6.277 -7.205 462 HE3 MET 60 3HE MET 60 -11.073 7.968 -7.708 463 H ASP 61 H ASP 61 -7.677 2.118 -8.829 464 HA ASP 61 HA ASP 61 -9.331 3.046 -11.078 465 HB2 ASP 61 1HB ASP 61 -7.515 0.692 -10.932 466 HB3 ASP 61 2HB ASP 61 -9.048 0.483 -11.773 467 H GLY 62 H GLY 62 -11.362 3.035 -10.370 468 HA2 GLY 62 1HA GLY 62 -13.268 2.414 -9.238 469 HA3 GLY 62 2HA GLY 62 -12.837 0.800 -9.783 470 H ARG 63 H ARG 63 -13.120 -0.524 -8.109 471 HA ARG 63 HA ARG 63 -12.449 0.360 -5.417 472 HB2 ARG 63 1HB ARG 63 -13.327 -2.073 -4.938 473 HB3 ARG 63 2HB ARG 63 -14.450 -0.770 -5.305 474 HG2 ARG 63 1HG ARG 63 -14.774 -1.534 -7.511 475 HG3 ARG 63 2HG ARG 63 -13.393 -2.629 -7.412 476 HD2 ARG 63 1HD ARG 63 -14.725 -3.716 -5.467 477 HD3 ARG 63 2HD ARG 63 -16.107 -2.883 -6.177 478 HE ARG 63 HE ARG 63 -14.717 -5.171 -7.245 479 HH11 ARG 63 2HH1 ARG 63 -16.802 -2.474 -7.949 480 HH12 ARG 63 1HH1 ARG 63 -17.471 -3.196 -9.375 481 HH21 ARG 63 2HH2 ARG 63 -15.590 -6.132 -9.121 482 HH22 ARG 63 1HH2 ARG 63 -16.782 -5.277 -10.040 483 H LYS 64 H LYS 64 -10.231 0.122 -7.080 484 HA LYS 64 HA LYS 64 -8.792 -2.037 -5.722 485 HB2 LYS 64 1HB LYS 64 -8.799 -1.526 -8.696 486 HB3 LYS 64 2HB LYS 64 -7.543 -2.457 -7.892 487 HG2 LYS 64 1HG LYS 64 -9.266 -4.026 -7.085 488 HG3 LYS 64 2HG LYS 64 -10.479 -3.116 -7.989 489 HD2 LYS 64 1HD LYS 64 -9.429 -3.655 -10.070 490 HD3 LYS 64 2HD LYS 64 -8.040 -4.365 -9.245 491 HE2 LYS 64 1HE LYS 64 -9.308 -6.206 -8.487 492 HE3 LYS 64 2HE LYS 64 -10.833 -5.421 -8.894 493 HZ1 LYS 64 1HZ LYS 64 -10.173 -7.165 -10.482 494 HZ2 LYS 64 2HZ LYS 64 -8.799 -6.266 -10.885 495 HZ3 LYS 64 3HZ LYS 64 -10.339 -5.648 -11.213 496 H HIS 65 H HIS 65 -7.238 -1.082 -4.598 497 HA HIS 65 HA HIS 65 -5.852 1.226 -5.798 498 HB2 HIS 65 1HB HIS 65 -6.328 0.645 -2.867 499 HB3 HIS 65 2HB HIS 65 -5.415 2.011 -3.499 500 HD1 HIS 65 1HD HIS 65 -6.716 4.058 -4.150 501 HD2 HIS 65 2HD HIS 65 -9.154 0.766 -3.457 502 HE1 HIS 65 1HE HIS 65 -9.069 4.943 -4.192 503 HE2 HIS 65 2HE HIS 65 -10.522 2.949 -3.686 504 H ARG 66 H ARG 66 -3.787 0.903 -6.273 505 HA ARG 66 HA ARG 66 -2.214 -0.957 -4.643 506 HB2 ARG 66 1HB ARG 66 -1.143 -1.794 -6.774 507 HB3 ARG 66 2HB ARG 66 -2.799 -2.318 -6.499 508 HG2 ARG 66 1HG ARG 66 -3.647 -0.873 -8.139 509 HG3 ARG 66 2HG ARG 66 -2.154 0.064 -8.201 510 HD2 ARG 66 1HD ARG 66 -1.984 -1.223 -10.108 511 HD3 ARG 66 2HD ARG 66 -1.087 -2.190 -8.938 512 HE ARG 66 HE ARG 66 -2.691 -3.816 -9.100 513 HH11 ARG 66 2HH1 ARG 66 -3.902 -0.866 -10.496 514 HH12 ARG 66 1HH1 ARG 66 -5.327 -1.605 -11.147 515 HH21 ARG 66 2HH2 ARG 66 -4.564 -4.801 -9.952 516 HH22 ARG 66 1HH2 ARG 66 -5.703 -3.843 -10.836 517 H LEU 67 H LEU 67 0.005 -0.517 -4.559 518 HA LEU 67 HA LEU 67 0.755 2.137 -5.595 519 HB2 LEU 67 1HB LEU 67 0.594 1.623 -3.046 520 HB3 LEU 67 2HB LEU 67 2.143 0.820 -3.299 521 HG LEU 67 HG LEU 67 1.595 3.724 -3.911 522 HD11 LEU 67 1HD1 LEU 67 3.096 4.077 -1.912 523 HD12 LEU 67 2HD1 LEU 67 2.818 2.382 -1.514 524 HD13 LEU 67 3HD1 LEU 67 1.463 3.509 -1.563 525 HD21 LEU 67 1HD2 LEU 67 4.306 3.323 -3.578 526 HD22 LEU 67 2HD2 LEU 67 3.462 3.531 -5.112 527 HD23 LEU 67 3HD2 LEU 67 3.785 1.910 -4.496 528 H ILE 68 H ILE 68 2.553 2.343 -6.809 529 HA ILE 68 HA ILE 68 4.179 -0.081 -7.228 530 HB ILE 68 HB ILE 68 3.320 2.040 -9.181 531 HG12 ILE 68 1HG1 ILE 68 3.307 -0.895 -9.716 532 HG13 ILE 68 2HG1 ILE 68 2.104 -0.252 -8.604 533 HG21 ILE 68 1HG2 ILE 68 4.854 1.086 -10.813 534 HG22 ILE 68 2HG2 ILE 68 5.735 1.721 -9.424 535 HG23 ILE 68 3HG2 ILE 68 5.486 -0.017 -9.591 536 HD11 ILE 68 1HD1 ILE 68 2.531 0.668 -11.437 537 HD12 ILE 68 2HD1 ILE 68 1.254 -0.415 -10.883 538 HD13 ILE 68 3HD1 ILE 68 1.297 1.256 -10.323 539 H LEU 69 H LEU 69 6.424 0.215 -7.666 540 HA LEU 69 HA LEU 69 7.537 2.849 -7.043 541 HB2 LEU 69 1HB LEU 69 8.126 0.293 -5.578 542 HB3 LEU 69 2HB LEU 69 9.245 1.655 -5.580 543 HG LEU 69 HG LEU 69 6.407 1.793 -4.567 544 HD11 LEU 69 1HD1 LEU 69 7.897 0.246 -3.271 545 HD12 LEU 69 2HD1 LEU 69 7.260 1.613 -2.359 546 HD13 LEU 69 3HD1 LEU 69 8.928 1.636 -2.931 547 HD21 LEU 69 1HD2 LEU 69 8.549 3.737 -4.998 548 HD22 LEU 69 2HD2 LEU 69 7.852 3.781 -3.378 549 HD23 LEU 69 3HD2 LEU 69 6.815 3.983 -4.791 550 HA PRO 70 HA PRO 70 9.928 1.558 -10.583 551 HB2 PRO 70 1HB PRO 70 11.327 3.873 -10.814 552 HB3 PRO 70 2HB PRO 70 9.654 3.702 -11.361 553 HG2 PRO 70 1HG PRO 70 10.706 4.896 -8.825 554 HG3 PRO 70 2HG PRO 70 9.420 5.490 -9.892 555 HD2 PRO 70 1HD PRO 70 8.905 4.163 -7.589 556 HD3 PRO 70 2HD PRO 70 7.852 4.047 -9.014 557 H GLU 71 H GLU 71 11.358 3.135 -7.740 558 HA GLU 71 HA GLU 71 13.633 1.290 -7.954 559 HB2 GLU 71 1HB GLU 71 14.020 3.776 -8.730 560 HB3 GLU 71 2HB GLU 71 14.101 4.085 -7.001 561 HG2 GLU 71 1HG GLU 71 15.933 2.538 -6.764 562 HG3 GLU 71 2HG GLU 71 15.809 2.086 -8.463 563 H ALA 72 H ALA 72 12.709 0.036 -6.308 564 HA ALA 72 HA ALA 72 11.887 1.104 -3.808 565 HB1 ALA 72 1HB ALA 72 12.392 -1.622 -4.887 566 HB2 ALA 72 2HB ALA 72 12.280 -1.413 -3.139 567 HB3 ALA 72 3HB ALA 72 10.931 -0.942 -4.172 568 H LYS 73 H LYS 73 13.292 2.188 -2.573 569 HA LYS 73 HA LYS 73 16.057 1.289 -2.360 570 HB2 LYS 73 1HB LYS 73 14.688 3.716 -1.185 571 HB3 LYS 73 2HB LYS 73 16.413 3.380 -1.110 572 HG2 LYS 73 1HG LYS 73 15.105 3.482 -3.778 573 HG3 LYS 73 2HG LYS 73 15.407 4.995 -2.920 574 HD2 LYS 73 1HD LYS 73 17.801 3.933 -2.598 575 HD3 LYS 73 2HD LYS 73 17.336 3.018 -4.035 576 HE2 LYS 73 1HE LYS 73 18.384 4.878 -4.935 577 HE3 LYS 73 2HE LYS 73 16.681 5.330 -4.996 578 HZ1 LYS 73 1HZ LYS 73 18.599 6.863 -3.948 579 HZ2 LYS 73 2HZ LYS 73 18.064 6.060 -2.559 580 HZ3 LYS 73 3HZ LYS 73 16.972 6.951 -3.494 581 H VAL 74 H VAL 74 16.872 1.840 0.085 582 HA VAL 74 HA VAL 74 15.733 -0.260 1.666 583 HB VAL 74 HB VAL 74 17.837 1.766 2.442 584 HG11 VAL 74 1HG1 VAL 74 16.642 -0.572 3.791 585 HG12 VAL 74 2HG1 VAL 74 18.397 -0.422 3.893 586 HG13 VAL 74 3HG1 VAL 74 17.363 0.886 4.470 587 HG21 VAL 74 1HG2 VAL 74 18.568 -1.014 1.758 588 HG22 VAL 74 2HG2 VAL 74 18.095 0.027 0.415 589 HG23 VAL 74 3HG2 VAL 74 19.434 0.494 1.463 590 H GLN 75 H GLN 75 15.572 3.237 1.642 591 HA GLN 75 HA GLN 75 14.376 3.497 4.221 592 HB2 GLN 75 1HB GLN 75 14.170 5.476 1.956 593 HB3 GLN 75 2HB GLN 75 14.076 5.798 3.682 594 HG2 GLN 75 1HG GLN 75 16.565 4.637 2.513 595 HG3 GLN 75 2HG GLN 75 16.239 6.364 2.373 596 HE21 GLN 75 1HE2 GLN 75 18.174 6.619 3.643 597 HE22 GLN 75 2HE2 GLN 75 18.094 6.475 5.363 598 H ASP 76 H ASP 76 13.214 2.633 1.118 599 HA ASP 76 HA ASP 76 10.483 3.425 1.569 600 HB2 ASP 76 1HB ASP 76 11.715 1.623 -0.526 601 HB3 ASP 76 2HB ASP 76 10.033 2.148 -0.516 602 H SER 77 H SER 77 12.427 0.865 2.588 603 HA SER 77 HA SER 77 10.516 -1.236 2.620 604 HB2 SER 77 1HB SER 77 12.089 -2.445 3.934 605 HB3 SER 77 2HB SER 77 13.044 -1.464 2.823 606 HG SER 77 HG SER 77 13.897 -0.519 4.483 607 H GLY 78 H GLY 78 8.758 -1.395 3.835 608 HA2 GLY 78 1HA GLY 78 8.630 -1.133 6.588 609 HA3 GLY 78 2HA GLY 78 8.183 0.436 5.935 610 H GLU 79 H GLU 79 6.248 -0.498 7.318 611 HA GLU 79 HA GLU 79 4.526 -2.246 5.762 612 HB2 GLU 79 1HB GLU 79 4.716 -2.415 8.259 613 HB3 GLU 79 2HB GLU 79 3.923 -0.850 8.372 614 HG2 GLU 79 1HG GLU 79 1.984 -1.832 7.146 615 HG3 GLU 79 2HG GLU 79 2.772 -3.403 7.277 616 H PHE 80 H PHE 80 2.859 -1.613 4.532 617 HA PHE 80 HA PHE 80 2.295 1.269 4.399 618 HB2 PHE 80 1HB PHE 80 2.030 -0.936 2.359 619 HB3 PHE 80 2HB PHE 80 1.289 0.645 2.136 620 HD1 PHE 80 1HD PHE 80 4.592 -0.876 2.956 621 HD2 PHE 80 2HD PHE 80 2.473 2.263 1.013 622 HE1 PHE 80 1HE PHE 80 6.708 -0.021 2.036 623 HE2 PHE 80 2HE PHE 80 4.585 3.122 0.090 624 HZ PHE 80 HZ PHE 80 6.706 1.980 0.601 625 H GLU 81 H GLU 81 0.167 2.023 4.339 626 HA GLU 81 HA GLU 81 -1.966 0.089 4.859 627 HB2 GLU 81 1HB GLU 81 -1.199 0.795 7.066 628 HB3 GLU 81 2HB GLU 81 -1.378 2.483 6.608 629 HG2 GLU 81 1HG GLU 81 -3.858 1.773 6.150 630 HG3 GLU 81 2HG GLU 81 -3.461 0.464 7.262 631 H CYS 82 H CYS 82 -3.817 0.573 3.842 632 HA CYS 82 HA CYS 82 -3.970 3.172 2.480 633 HB2 CYS 82 1HB CYS 82 -3.997 1.240 0.988 634 HB3 CYS 82 2HB CYS 82 -5.361 0.557 1.865 635 HG CYS 82 HG CYS 82 -5.555 3.556 0.238 636 H ARG 83 H ARG 83 -4.736 4.158 4.475 637 HA ARG 83 HA ARG 83 -7.062 3.397 5.825 638 HB2 ARG 83 1HB ARG 83 -5.418 5.060 6.657 639 HB3 ARG 83 2HB ARG 83 -5.994 6.200 5.448 640 HG2 ARG 83 1HG ARG 83 -7.947 6.606 6.556 641 HG3 ARG 83 2HG ARG 83 -7.973 5.016 7.319 642 HD2 ARG 83 1HD ARG 83 -5.981 5.775 8.675 643 HD3 ARG 83 2HD ARG 83 -6.285 7.397 8.052 644 HE ARG 83 HE ARG 83 -8.664 6.421 9.144 645 HH11 ARG 83 2HH1 ARG 83 -5.478 7.375 10.174 646 HH12 ARG 83 1HH1 ARG 83 -5.995 7.873 11.751 647 HH21 ARG 83 2HH2 ARG 83 -9.357 7.074 11.217 648 HH22 ARG 83 1HH2 ARG 83 -8.201 7.700 12.344 649 H THR 84 H THR 84 -9.208 3.974 5.635 650 HA THR 84 HA THR 84 -10.073 5.691 3.466 651 HB THR 84 HB THR 84 -9.795 3.439 2.410 652 HG1 THR 84 1HG THR 84 -12.553 3.945 2.447 653 HG21 THR 84 1HG2 THR 84 -11.330 2.656 4.739 654 HG22 THR 84 2HG2 THR 84 -10.431 1.657 3.597 655 HG23 THR 84 3HG2 THR 84 -12.096 2.118 3.245 656 H GLU 85 H GLU 85 -12.608 5.600 3.383 657 HA GLU 85 HA GLU 85 -13.506 6.286 6.012 658 HB2 GLU 85 1HB GLU 85 -14.204 7.235 3.654 659 HB3 GLU 85 2HB GLU 85 -15.393 5.942 3.719 660 HG2 GLU 85 1HG GLU 85 -16.532 6.885 5.474 661 HG3 GLU 85 2HG GLU 85 -15.127 7.786 6.041 662 H GLY 86 H GLY 86 -12.858 3.897 6.597 663 HA2 GLY 86 1HA GLY 86 -15.113 2.579 7.500 664 HA3 GLY 86 2HA GLY 86 -14.721 1.839 5.954 665 H VAL 87 H VAL 87 -12.329 1.220 5.742 666 HA VAL 87 HA VAL 87 -11.204 0.326 8.296 667 HB VAL 87 HB VAL 87 -10.719 -1.914 7.305 668 HG11 VAL 87 1HG1 VAL 87 -12.939 -1.045 8.623 669 HG12 VAL 87 2HG1 VAL 87 -13.646 -1.841 7.216 670 HG13 VAL 87 3HG1 VAL 87 -12.563 -2.734 8.285 671 HG21 VAL 87 1HG2 VAL 87 -11.571 -2.625 5.293 672 HG22 VAL 87 2HG2 VAL 87 -12.879 -1.442 5.304 673 HG23 VAL 87 3HG2 VAL 87 -11.233 -0.933 4.927 674 H SER 88 H SER 88 -9.035 -0.963 7.652 675 HA SER 88 HA SER 88 -7.640 0.506 5.534 676 HB2 SER 88 1HB SER 88 -6.211 0.128 8.130 677 HB3 SER 88 2HB SER 88 -5.988 1.368 6.896 678 HG SER 88 HG SER 88 -7.461 1.477 9.122 679 H ALA 89 H ALA 89 -5.563 -0.467 4.949 680 HA ALA 89 HA ALA 89 -5.601 -3.378 5.394 681 HB1 ALA 89 1HB ALA 89 -4.310 -3.479 3.240 682 HB2 ALA 89 2HB ALA 89 -5.975 -2.914 3.096 683 HB3 ALA 89 3HB ALA 89 -4.644 -1.758 3.045 684 H PHE 90 H PHE 90 -3.299 -4.333 4.921 685 HA PHE 90 HA PHE 90 -1.163 -2.669 5.988 686 HB2 PHE 90 1HB PHE 90 -2.150 -5.180 7.347 687 HB3 PHE 90 2HB PHE 90 -0.574 -4.464 7.666 688 HD1 PHE 90 2HD PHE 90 -0.477 -2.119 8.582 689 HD2 PHE 90 1HD PHE 90 -4.078 -4.382 8.402 690 HE1 PHE 90 2HE PHE 90 -1.493 -0.630 10.258 691 HE2 PHE 90 1HE PHE 90 -5.099 -2.896 10.076 692 HZ PHE 90 HZ PHE 90 -3.806 -1.019 11.008 693 H PHE 91 H PHE 91 0.550 -2.978 4.745 694 HA PHE 91 HA PHE 91 1.029 -5.665 3.640 695 HB2 PHE 91 1HB PHE 91 1.498 -3.046 2.198 696 HB3 PHE 91 2HB PHE 91 1.822 -4.655 1.561 697 HD1 PHE 91 1HD PHE 91 -0.029 -6.150 0.964 698 HD2 PHE 91 2HD PHE 91 -0.707 -2.144 2.233 699 HE1 PHE 91 1HE PHE 91 -2.315 -6.254 0.060 700 HE2 PHE 91 2HE PHE 91 -2.994 -2.242 1.332 701 HZ PHE 91 HZ PHE 91 -3.802 -4.299 0.244 702 H GLY 92 H GLY 92 2.956 -6.472 4.147 703 HA2 GLY 92 1HA GLY 92 4.944 -4.696 5.352 704 HA3 GLY 92 2HA GLY 92 4.933 -6.452 5.437 705 H VAL 93 H VAL 93 6.696 -4.021 4.322 706 HA VAL 93 HA VAL 93 7.642 -5.565 1.997 707 HB VAL 93 HB VAL 93 7.557 -2.553 2.221 708 HG11 VAL 93 1HG1 VAL 93 8.848 -2.386 0.377 709 HG12 VAL 93 2HG1 VAL 93 9.443 -3.960 0.910 710 HG13 VAL 93 3HG1 VAL 93 8.202 -3.861 -0.340 711 HG21 VAL 93 1HG2 VAL 93 5.931 -4.528 0.643 712 HG22 VAL 93 2HG2 VAL 93 5.366 -3.272 1.745 713 HG23 VAL 93 3HG2 VAL 93 6.057 -2.829 0.185 714 H THR 94 H THR 94 9.774 -5.980 1.928 715 HA THR 94 HA THR 94 11.549 -4.514 3.757 716 HB THR 94 HB THR 94 11.422 -7.515 3.425 717 HG1 THR 94 1HG THR 94 10.032 -6.242 4.991 718 HG21 THR 94 1HG2 THR 94 13.663 -5.816 4.050 719 HG22 THR 94 2HG2 THR 94 13.609 -7.568 3.856 720 HG23 THR 94 3HG2 THR 94 13.265 -6.843 5.426 721 H VAL 95 H VAL 95 12.800 -3.424 2.359 722 HA VAL 95 HA VAL 95 13.723 -4.698 -0.093 723 HB VAL 95 HB VAL 95 14.367 -1.911 0.865 724 HG11 VAL 95 1HG1 VAL 95 15.690 -1.967 -0.930 725 HG12 VAL 95 2HG1 VAL 95 14.984 -3.481 -1.501 726 HG13 VAL 95 3HG1 VAL 95 14.211 -1.943 -1.891 727 HG21 VAL 95 1HG2 VAL 95 11.914 -3.007 -0.412 728 HG22 VAL 95 2HG2 VAL 95 12.089 -1.717 0.778 729 HG23 VAL 95 3HG2 VAL 95 12.481 -1.415 -0.915 730 H GLN 96 H GLN 96 15.273 -6.172 0.456 731 HA GLN 96 HA GLN 96 17.459 -5.376 2.209 732 HB2 GLN 96 1HB GLN 96 16.792 -8.003 0.877 733 HB3 GLN 96 2HB GLN 96 18.205 -7.748 1.892 734 HG2 GLN 96 1HG GLN 96 16.983 -7.647 3.816 735 HG3 GLN 96 2HG GLN 96 15.534 -7.068 2.996 736 HE21 GLN 96 1HE2 GLN 96 17.466 -9.834 2.044 737 HE22 GLN 96 2HE2 GLN 96 16.258 -11.027 2.362 738 H ASP 97 H ASP 97 19.305 -4.577 1.473 739 HA ASP 97 HA ASP 97 19.803 -4.176 -1.278 740 HB2 ASP 97 1HB ASP 97 21.946 -3.265 -0.582 741 HB3 ASP 97 2HB ASP 97 20.684 -2.708 0.514 742 HA PRO 98 HA PRO 98 21.639 -8.004 -2.450 743 HB2 PRO 98 1HB PRO 98 23.008 -7.152 -4.635 744 HB3 PRO 98 2HB PRO 98 21.251 -7.347 -4.618 745 HG2 PRO 98 1HG PRO 98 22.883 -4.859 -4.295 746 HG3 PRO 98 2HG PRO 98 21.404 -5.112 -5.240 747 HD2 PRO 98 1HD PRO 98 21.392 -3.928 -2.805 748 HD3 PRO 98 2HD PRO 98 20.040 -4.917 -3.392 749 H SER 99 H SER 99 23.749 -9.008 -2.814 750 HA SER 99 HA SER 99 25.756 -9.498 -1.771 751 HB2 SER 99 1HB SER 99 26.317 -6.965 -3.328 752 HB3 SER 99 2HB SER 99 27.571 -8.022 -2.680 753 HG SER 99 HG SER 99 27.296 -9.240 -4.356 754 H GLY 100 H GLY 100 24.252 -8.477 0.197 755 HA2 GLY 100 1HA GLY 100 25.276 -6.129 1.419 756 HA3 GLY 100 2HA GLY 100 24.297 -7.358 2.205 757 HA PRO 101 HA PRO 101 28.995 -7.549 3.282 758 HB2 PRO 101 1HB PRO 101 29.157 -5.778 5.333 759 HB3 PRO 101 2HB PRO 101 29.480 -5.334 3.653 760 HG2 PRO 101 1HG PRO 101 26.998 -4.926 5.276 761 HG3 PRO 101 2HG PRO 101 27.802 -3.806 4.160 762 HD2 PRO 101 1HD PRO 101 25.613 -5.240 3.461 763 HD3 PRO 101 2HD PRO 101 26.881 -4.804 2.297 764 H SER 102 H SER 102 26.407 -6.748 5.607 765 HA SER 102 HA SER 102 27.371 -8.467 7.640 766 HB2 SER 102 1HB SER 102 24.706 -7.137 7.164 767 HB3 SER 102 2HB SER 102 24.996 -8.177 8.559 768 HG SER 102 HG SER 102 26.958 -6.679 8.770 769 H SER 103 H SER 103 25.894 -10.242 8.556 770 HA SER 103 HA SER 103 24.461 -11.787 6.572 771 HB2 SER 103 1HB SER 103 27.156 -12.580 7.609 772 HB3 SER 103 2HB SER 103 25.962 -13.834 7.276 773 HG SER 103 HG SER 103 26.322 -11.899 5.315 774 H GLY 104 H GLY 104 22.643 -12.088 7.701 775 HA2 GLY 104 1HA GLY 104 22.834 -13.541 10.232 776 HA3 GLY 104 2HA GLY 104 21.987 -12.002 10.252 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -31.169 -16.082 0.873 2 HA2 GLY 1 1HA GLY 1 -28.725 -15.077 1.901 3 HA3 GLY 1 2HA GLY 1 -29.752 -14.280 0.718 4 H SER 2 H SER 2 -28.757 -14.410 3.997 5 HA SER 2 HA SER 2 -30.624 -12.224 4.649 6 HB2 SER 2 1HB SER 2 -31.120 -14.188 5.999 7 HB3 SER 2 2HB SER 2 -29.432 -14.306 6.496 8 HG SER 2 HG SER 2 -30.790 -13.262 8.055 9 H SER 3 H SER 3 -29.702 -10.317 4.951 10 HA SER 3 HA SER 3 -26.809 -10.189 5.375 11 HB2 SER 3 1HB SER 3 -28.845 -8.359 4.202 12 HB3 SER 3 2HB SER 3 -27.443 -7.623 4.978 13 HG SER 3 HG SER 3 -27.619 -8.867 2.585 14 H GLY 4 H GLY 4 -25.915 -8.694 6.928 15 HA2 GLY 4 1HA GLY 4 -27.735 -8.174 9.197 16 HA3 GLY 4 2HA GLY 4 -26.110 -8.802 9.424 17 H SER 5 H SER 5 -24.428 -7.345 8.144 18 HA SER 5 HA SER 5 -25.072 -4.523 8.668 19 HB2 SER 5 1HB SER 5 -22.748 -4.246 9.566 20 HB3 SER 5 2HB SER 5 -23.782 -5.261 10.572 21 HG SER 5 HG SER 5 -22.173 -6.443 8.598 22 H SER 6 H SER 6 -25.365 -4.314 6.397 23 HA SER 6 HA SER 6 -23.674 -5.060 4.373 24 HB2 SER 6 1HB SER 6 -25.361 -2.578 4.687 25 HB3 SER 6 2HB SER 6 -24.481 -2.934 3.201 26 HG SER 6 HG SER 6 -25.652 -4.881 3.054 27 H GLY 7 H GLY 7 -23.456 -2.127 6.368 28 HA2 GLY 7 1HA GLY 7 -21.631 -0.830 6.903 29 HA3 GLY 7 2HA GLY 7 -20.613 -2.073 6.191 30 HA PRO 8 HA PRO 8 -21.054 1.848 3.483 31 HB2 PRO 8 1HB PRO 8 -18.763 3.129 4.176 32 HB3 PRO 8 2HB PRO 8 -20.308 3.421 4.983 33 HG2 PRO 8 1HG PRO 8 -18.016 1.700 5.847 34 HG3 PRO 8 2HG PRO 8 -19.006 2.812 6.811 35 HD2 PRO 8 1HD PRO 8 -19.399 0.133 6.817 36 HD3 PRO 8 2HD PRO 8 -20.726 1.293 7.026 37 H VAL 9 H VAL 9 -17.965 0.355 4.476 38 HA VAL 9 HA VAL 9 -17.531 -0.891 1.973 39 HB VAL 9 HB VAL 9 -17.100 1.435 1.260 40 HG11 VAL 9 1HG1 VAL 9 -15.832 2.874 2.404 41 HG12 VAL 9 2HG1 VAL 9 -15.913 1.714 3.731 42 HG13 VAL 9 3HG1 VAL 9 -14.542 1.692 2.622 43 HG21 VAL 9 1HG2 VAL 9 -15.912 -0.547 0.280 44 HG22 VAL 9 2HG2 VAL 9 -15.070 0.991 0.094 45 HG23 VAL 9 3HG2 VAL 9 -14.544 -0.158 1.323 46 H HIS 10 H HIS 10 -16.320 -2.607 2.407 47 HA HIS 10 HA HIS 10 -14.243 -2.392 4.480 48 HB2 HIS 10 1HB HIS 10 -14.838 -4.807 5.063 49 HB3 HIS 10 2HB HIS 10 -15.967 -3.564 5.593 50 HD1 HIS 10 1HD HIS 10 -18.046 -3.212 3.774 51 HD2 HIS 10 2HD HIS 10 -16.056 -6.858 3.800 52 HE1 HIS 10 1HE HIS 10 -19.600 -4.833 2.643 53 HE2 HIS 10 2HE HIS 10 -18.410 -7.051 2.746 54 H ILE 11 H ILE 11 -12.301 -3.086 3.855 55 HA ILE 11 HA ILE 11 -11.619 -3.730 1.282 56 HB ILE 11 HB ILE 11 -10.205 -4.657 3.785 57 HG12 ILE 11 1HG1 ILE 11 -9.517 -2.269 2.083 58 HG13 ILE 11 2HG1 ILE 11 -10.656 -2.149 3.420 59 HG21 ILE 11 1HG2 ILE 11 -9.118 -5.899 2.222 60 HG22 ILE 11 2HG2 ILE 11 -9.525 -4.801 0.904 61 HG23 ILE 11 3HG2 ILE 11 -8.230 -4.388 2.028 62 HD11 ILE 11 1HD1 ILE 11 -8.285 -1.492 3.922 63 HD12 ILE 11 2HD1 ILE 11 -8.992 -2.695 5.002 64 HD13 ILE 11 3HD1 ILE 11 -7.861 -3.195 3.745 65 H LEU 12 H LEU 12 -11.180 -5.622 0.143 66 HA LEU 12 HA LEU 12 -12.437 -8.048 1.247 67 HB2 LEU 12 1HB LEU 12 -12.059 -7.612 -1.682 68 HB3 LEU 12 2HB LEU 12 -13.245 -8.611 -0.844 69 HG LEU 12 HG LEU 12 -13.316 -5.601 -0.800 70 HD11 LEU 12 1HD1 LEU 12 -13.469 -6.634 -3.121 71 HD12 LEU 12 2HD1 LEU 12 -14.798 -5.591 -2.617 72 HD13 LEU 12 3HD1 LEU 12 -14.991 -7.344 -2.581 73 HD21 LEU 12 1HD2 LEU 12 -15.590 -5.908 -0.078 74 HD22 LEU 12 2HD2 LEU 12 -14.525 -6.835 0.979 75 HD23 LEU 12 3HD2 LEU 12 -15.459 -7.656 -0.273 76 H SER 13 H SER 13 -9.703 -6.741 -0.523 77 HA SER 13 HA SER 13 -8.104 -9.030 0.249 78 HB2 SER 13 1HB SER 13 -8.601 -8.335 -2.652 79 HB3 SER 13 2HB SER 13 -7.273 -9.359 -2.109 80 HG SER 13 HG SER 13 -9.963 -9.903 -1.430 81 HA PRO 14 HA PRO 14 -6.192 -9.641 0.529 82 HB2 PRO 14 1HB PRO 14 -4.632 -9.139 2.693 83 HB3 PRO 14 2HB PRO 14 -3.982 -9.304 1.058 84 HG2 PRO 14 1HG PRO 14 -4.597 -6.820 2.610 85 HG3 PRO 14 2HG PRO 14 -3.187 -7.187 1.598 86 HD2 PRO 14 1HD PRO 14 -5.246 -5.659 0.728 87 HD3 PRO 14 2HD PRO 14 -4.307 -6.703 -0.357 88 H GLN 15 H GLN 15 -6.350 -10.481 2.964 89 HA GLN 15 HA GLN 15 -8.813 -9.299 4.011 90 HB2 GLN 15 1HB GLN 15 -7.507 -11.968 4.567 91 HB3 GLN 15 2HB GLN 15 -9.022 -11.425 5.275 92 HG2 GLN 15 1HG GLN 15 -10.128 -11.477 3.193 93 HG3 GLN 15 2HG GLN 15 -8.612 -11.647 2.310 94 HE21 GLN 15 1HE2 GLN 15 -8.117 -13.611 1.664 95 HE22 GLN 15 2HE2 GLN 15 -8.714 -15.087 2.336 96 H ASP 16 H ASP 16 -5.536 -10.152 4.968 97 HA ASP 16 HA ASP 16 -5.799 -8.377 7.275 98 HB2 ASP 16 1HB ASP 16 -6.231 -10.699 8.073 99 HB3 ASP 16 2HB ASP 16 -4.630 -11.158 7.500 100 H LYS 17 H LYS 17 -3.549 -8.128 8.347 101 HA LYS 17 HA LYS 17 -1.820 -6.888 6.628 102 HB2 LYS 17 1HB LYS 17 -1.790 -6.809 9.149 103 HB3 LYS 17 2HB LYS 17 -0.932 -8.345 9.121 104 HG2 LYS 17 1HG LYS 17 0.174 -6.099 7.524 105 HG3 LYS 17 2HG LYS 17 0.340 -6.042 9.281 106 HD2 LYS 17 1HD LYS 17 1.278 -8.393 9.127 107 HD3 LYS 17 2HD LYS 17 1.362 -8.142 7.381 108 HE2 LYS 17 1HE LYS 17 3.469 -7.487 7.998 109 HE3 LYS 17 2HE LYS 17 2.619 -5.946 8.084 110 HZ1 LYS 17 1HZ LYS 17 3.614 -7.643 10.256 111 HZ2 LYS 17 2HZ LYS 17 2.231 -6.711 10.539 112 HZ3 LYS 17 3HZ LYS 17 3.678 -5.961 10.088 113 H VAL 18 H VAL 18 -0.281 -7.473 5.220 114 HA VAL 18 HA VAL 18 0.386 -10.338 5.045 115 HB VAL 18 HB VAL 18 0.841 -9.991 2.673 116 HG11 VAL 18 1HG1 VAL 18 -1.860 -8.925 3.492 117 HG12 VAL 18 2HG1 VAL 18 -1.451 -9.599 1.914 118 HG13 VAL 18 3HG1 VAL 18 -1.417 -10.625 3.348 119 HG21 VAL 18 1HG2 VAL 18 1.514 -7.574 2.974 120 HG22 VAL 18 2HG2 VAL 18 0.527 -7.927 1.556 121 HG23 VAL 18 3HG2 VAL 18 -0.206 -7.186 2.979 122 H SER 19 H SER 19 2.559 -10.731 3.963 123 HA SER 19 HA SER 19 4.546 -8.708 4.719 124 HB2 SER 19 1HB SER 19 4.154 -10.696 6.423 125 HB3 SER 19 2HB SER 19 5.167 -11.578 5.280 126 HG SER 19 HG SER 19 6.453 -9.399 5.585 127 H LEU 20 H LEU 20 6.109 -8.429 3.249 128 HA LEU 20 HA LEU 20 6.691 -10.553 1.329 129 HB2 LEU 20 1HB LEU 20 6.138 -7.737 0.429 130 HB3 LEU 20 2HB LEU 20 6.433 -9.152 -0.579 131 HG LEU 20 HG LEU 20 4.054 -9.158 1.214 132 HD11 LEU 20 1HD1 LEU 20 4.174 -7.688 -1.416 133 HD12 LEU 20 2HD1 LEU 20 3.983 -6.949 0.174 134 HD13 LEU 20 3HD1 LEU 20 2.722 -8.003 -0.465 135 HD21 LEU 20 1HD2 LEU 20 4.810 -10.320 -1.450 136 HD22 LEU 20 2HD2 LEU 20 3.142 -10.304 -0.876 137 HD23 LEU 20 3HD2 LEU 20 4.382 -11.161 0.041 138 H THR 21 H THR 21 8.598 -9.905 -0.087 139 HA THR 21 HA THR 21 10.421 -8.035 1.227 140 HB THR 21 HB THR 21 11.250 -10.874 0.602 141 HG1 THR 21 1HG THR 21 10.073 -11.080 2.426 142 HG21 THR 21 1HG2 THR 21 13.327 -10.085 0.770 143 HG22 THR 21 2HG2 THR 21 12.982 -9.587 2.426 144 HG23 THR 21 3HG2 THR 21 12.713 -8.465 1.093 145 H PHE 22 H PHE 22 11.965 -7.146 -0.118 146 HA PHE 22 HA PHE 22 12.076 -8.089 -2.888 147 HB2 PHE 22 1HB PHE 22 11.609 -5.200 -2.120 148 HB3 PHE 22 2HB PHE 22 11.814 -5.817 -3.756 149 HD1 PHE 22 1HD PHE 22 9.614 -6.000 -0.779 150 HD2 PHE 22 2HD PHE 22 9.984 -6.591 -4.978 151 HE1 PHE 22 1HE PHE 22 7.186 -6.365 -0.938 152 HE2 PHE 22 2HE PHE 22 7.557 -6.956 -5.144 153 HZ PHE 22 HZ PHE 22 6.154 -6.843 -3.123 154 H THR 23 H THR 23 13.811 -6.749 -4.111 155 HA THR 23 HA THR 23 16.142 -6.487 -2.327 156 HB THR 23 HB THR 23 16.128 -7.217 -5.262 157 HG1 THR 23 1HG THR 23 15.345 -8.848 -3.720 158 HG21 THR 23 1HG2 THR 23 18.422 -7.364 -3.314 159 HG22 THR 23 2HG2 THR 23 18.142 -5.975 -4.364 160 HG23 THR 23 3HG2 THR 23 18.469 -7.559 -5.066 161 H THR 24 H THR 24 17.522 -4.752 -2.557 162 HA THR 24 HA THR 24 16.539 -2.281 -3.181 163 HB THR 24 HB THR 24 19.423 -3.167 -3.399 164 HG1 THR 24 1HG THR 24 18.067 -3.287 -1.321 165 HG21 THR 24 1HG2 THR 24 20.035 -0.860 -3.188 166 HG22 THR 24 2HG2 THR 24 18.351 -0.379 -2.974 167 HG23 THR 24 3HG2 THR 24 18.902 -0.995 -4.532 168 H SER 25 H SER 25 16.620 -0.882 -4.934 169 HA SER 25 HA SER 25 16.531 -0.257 -7.120 170 HB2 SER 25 1HB SER 25 18.342 -0.787 -8.489 171 HB3 SER 25 2HB SER 25 19.008 -1.050 -6.877 172 HG SER 25 HG SER 25 18.076 -2.986 -8.722 173 H GLU 26 H GLU 26 14.499 -1.863 -6.362 174 HA GLU 26 HA GLU 26 14.027 -3.463 -8.780 175 HB2 GLU 26 1HB GLU 26 13.394 -4.262 -5.937 176 HB3 GLU 26 2HB GLU 26 12.727 -5.072 -7.348 177 HG2 GLU 26 1HG GLU 26 15.683 -4.785 -6.981 178 HG3 GLU 26 2HG GLU 26 14.783 -6.088 -6.207 179 H ARG 27 H ARG 27 11.556 -4.079 -8.808 180 HA ARG 27 HA ARG 27 10.106 -1.557 -8.417 181 HB2 ARG 27 1HB ARG 27 10.266 -2.575 -10.717 182 HB3 ARG 27 2HB ARG 27 9.288 -3.910 -10.121 183 HG2 ARG 27 1HG ARG 27 7.651 -1.985 -9.422 184 HG3 ARG 27 2HG ARG 27 8.519 -1.091 -10.671 185 HD2 ARG 27 1HD ARG 27 8.071 -3.132 -12.160 186 HD3 ARG 27 2HD ARG 27 6.887 -3.595 -10.939 187 HE ARG 27 HE ARG 27 6.361 -0.958 -11.620 188 HH11 ARG 27 2HH1 ARG 27 6.381 -4.075 -13.170 189 HH12 ARG 27 1HH1 ARG 27 5.143 -3.662 -14.309 190 HH21 ARG 27 2HH2 ARG 27 4.730 -0.402 -13.114 191 HH22 ARG 27 1HH2 ARG 27 4.205 -1.572 -14.277 192 H VAL 28 H VAL 28 8.821 -1.439 -6.709 193 HA VAL 28 HA VAL 28 7.617 -3.917 -5.668 194 HB VAL 28 HB VAL 28 8.228 -1.328 -4.238 195 HG11 VAL 28 1HG1 VAL 28 7.527 -3.382 -2.430 196 HG12 VAL 28 2HG1 VAL 28 6.678 -1.867 -2.743 197 HG13 VAL 28 3HG1 VAL 28 6.267 -3.316 -3.661 198 HG21 VAL 28 1HG2 VAL 28 9.578 -3.072 -2.834 199 HG22 VAL 28 2HG2 VAL 28 9.501 -4.027 -4.315 200 HG23 VAL 28 3HG2 VAL 28 10.248 -2.430 -4.334 201 H VAL 29 H VAL 29 5.551 -4.152 -6.184 202 HA VAL 29 HA VAL 29 3.808 -1.781 -6.139 203 HB VAL 29 HB VAL 29 3.975 -2.131 -8.438 204 HG11 VAL 29 1HG1 VAL 29 5.135 -4.022 -8.900 205 HG12 VAL 29 2HG1 VAL 29 4.285 -4.974 -7.681 206 HG13 VAL 29 3HG1 VAL 29 3.519 -4.643 -9.236 207 HG21 VAL 29 1HG2 VAL 29 1.583 -2.562 -7.201 208 HG22 VAL 29 2HG2 VAL 29 1.798 -2.347 -8.938 209 HG23 VAL 29 3HG2 VAL 29 1.703 -3.970 -8.256 210 H LEU 30 H LEU 30 2.243 -2.013 -4.696 211 HA LEU 30 HA LEU 30 1.565 -4.675 -3.718 212 HB2 LEU 30 1HB LEU 30 0.701 -1.958 -2.738 213 HB3 LEU 30 2HB LEU 30 0.368 -3.495 -1.944 214 HG LEU 30 HG LEU 30 3.150 -2.425 -2.380 215 HD11 LEU 30 1HD1 LEU 30 1.221 -2.003 -0.125 216 HD12 LEU 30 2HD1 LEU 30 2.214 -0.819 -0.974 217 HD13 LEU 30 3HD1 LEU 30 2.965 -1.965 0.135 218 HD21 LEU 30 1HD2 LEU 30 2.047 -4.897 -1.398 219 HD22 LEU 30 2HD2 LEU 30 2.999 -4.097 -0.148 220 HD23 LEU 30 3HD2 LEU 30 3.727 -4.464 -1.713 221 H THR 31 H THR 31 -0.962 -4.558 -2.925 222 HA THR 31 HA THR 31 -2.690 -3.535 -5.006 223 HB THR 31 HB THR 31 -2.618 -6.521 -4.552 224 HG1 THR 31 1HG THR 31 -1.331 -4.880 -6.445 225 HG21 THR 31 1HG2 THR 31 -4.535 -6.569 -5.686 226 HG22 THR 31 2HG2 THR 31 -3.814 -5.653 -7.010 227 HG23 THR 31 3HG2 THR 31 -4.562 -4.807 -5.656 228 H CYS 32 H CYS 32 -4.702 -3.140 -4.260 229 HA CYS 32 HA CYS 32 -5.625 -4.484 -1.834 230 HB2 CYS 32 1HB CYS 32 -4.460 -2.376 -1.153 231 HB3 CYS 32 2HB CYS 32 -5.631 -1.472 -2.106 232 HG CYS 32 HG CYS 32 -7.123 -3.519 0.039 233 H GLU 33 H GLU 33 -7.849 -4.612 -1.632 234 HA GLU 33 HA GLU 33 -9.392 -3.584 -3.923 235 HB2 GLU 33 1HB GLU 33 -9.060 -6.069 -3.907 236 HB3 GLU 33 2HB GLU 33 -9.945 -6.127 -2.389 237 HG2 GLU 33 1HG GLU 33 -11.945 -5.384 -3.427 238 HG3 GLU 33 2HG GLU 33 -11.096 -4.993 -4.922 239 H LEU 34 H LEU 34 -11.533 -2.912 -3.534 240 HA LEU 34 HA LEU 34 -12.265 -2.562 -0.707 241 HB2 LEU 34 1HB LEU 34 -12.153 -0.501 -2.880 242 HB3 LEU 34 2HB LEU 34 -13.244 -0.314 -1.508 243 HG LEU 34 HG LEU 34 -10.249 -0.597 -1.277 244 HD11 LEU 34 1HD1 LEU 34 -11.942 1.707 -1.874 245 HD12 LEU 34 2HD1 LEU 34 -10.199 1.501 -2.045 246 HD13 LEU 34 3HD1 LEU 34 -10.885 1.938 -0.481 247 HD21 LEU 34 1HD2 LEU 34 -10.661 -0.913 0.879 248 HD22 LEU 34 2HD2 LEU 34 -12.396 -0.737 0.613 249 HD23 LEU 34 3HD2 LEU 34 -11.405 0.685 0.942 250 H SER 35 H SER 35 -14.624 -1.763 -0.560 251 HA SER 35 HA SER 35 -16.224 -3.376 -2.433 252 HB2 SER 35 1HB SER 35 -16.188 -4.003 0.039 253 HB3 SER 35 2HB SER 35 -17.080 -2.510 0.331 254 HG SER 35 HG SER 35 -18.351 -4.500 0.002 255 H ARG 36 H ARG 36 -15.379 -0.630 -2.896 256 HA ARG 36 HA ARG 36 -17.942 0.463 -3.592 257 HB2 ARG 36 1HB ARG 36 -16.290 1.677 -1.402 258 HB3 ARG 36 2HB ARG 36 -17.278 2.703 -2.433 259 HG2 ARG 36 1HG ARG 36 -19.143 0.948 -1.789 260 HG3 ARG 36 2HG ARG 36 -18.093 0.715 -0.390 261 HD2 ARG 36 1HD ARG 36 -19.768 2.389 0.107 262 HD3 ARG 36 2HD ARG 36 -18.173 3.136 0.044 263 HE ARG 36 HE ARG 36 -19.046 3.552 -2.442 264 HH11 ARG 36 2HH1 ARG 36 -20.604 4.010 0.637 265 HH12 ARG 36 1HH1 ARG 36 -21.591 5.325 0.089 266 HH21 ARG 36 2HH2 ARG 36 -20.339 5.282 -3.175 267 HH22 ARG 36 1HH2 ARG 36 -21.440 6.047 -2.080 268 H VAL 37 H VAL 37 -17.616 1.074 -5.619 269 HA VAL 37 HA VAL 37 -15.027 1.658 -6.664 270 HB VAL 37 HB VAL 37 -17.759 2.011 -7.904 271 HG11 VAL 37 1HG1 VAL 37 -16.726 2.389 -9.981 272 HG12 VAL 37 2HG1 VAL 37 -15.865 3.430 -8.847 273 HG13 VAL 37 3HG1 VAL 37 -15.141 1.911 -9.374 274 HG21 VAL 37 1HG2 VAL 37 -15.784 -0.107 -8.639 275 HG22 VAL 37 2HG2 VAL 37 -16.817 -0.321 -7.226 276 HG23 VAL 37 3HG2 VAL 37 -17.538 -0.099 -8.820 277 H ASP 38 H ASP 38 -14.156 3.596 -7.326 278 HA ASP 38 HA ASP 38 -13.731 5.831 -7.313 279 HB2 ASP 38 1HB ASP 38 -16.687 5.708 -7.635 280 HB3 ASP 38 2HB ASP 38 -15.984 7.267 -7.210 281 H PHE 39 H PHE 39 -13.556 4.525 -4.876 282 HA PHE 39 HA PHE 39 -14.716 6.407 -2.943 283 HB2 PHE 39 1HB PHE 39 -14.914 3.802 -2.775 284 HB3 PHE 39 2HB PHE 39 -13.270 3.902 -2.154 285 HD1 PHE 39 2HD PHE 39 -16.755 4.964 -1.573 286 HD2 PHE 39 1HD PHE 39 -12.834 4.628 0.048 287 HE1 PHE 39 2HE PHE 39 -17.637 5.491 0.663 288 HE2 PHE 39 1HE PHE 39 -13.710 5.154 2.286 289 HZ PHE 39 HZ PHE 39 -16.114 5.587 2.595 290 HA PRO 40 HA PRO 40 -10.798 8.340 -2.368 291 HB2 PRO 40 1HB PRO 40 -11.255 9.458 0.063 292 HB3 PRO 40 2HB PRO 40 -11.970 10.079 -1.430 293 HG2 PRO 40 1HG PRO 40 -13.182 8.307 0.657 294 HG3 PRO 40 2HG PRO 40 -13.897 9.693 -0.187 295 HD2 PRO 40 1HD PRO 40 -14.423 7.131 -0.887 296 HD3 PRO 40 2HD PRO 40 -14.385 8.455 -2.069 297 H ALA 41 H ALA 41 -8.870 8.098 -1.225 298 HA ALA 41 HA ALA 41 -8.703 6.558 1.182 299 HB1 ALA 41 1HB ALA 41 -8.753 4.556 0.158 300 HB2 ALA 41 2HB ALA 41 -8.333 5.232 -1.416 301 HB3 ALA 41 3HB ALA 41 -7.071 4.926 -0.224 302 H THR 42 H THR 42 -6.332 6.089 1.714 303 HA THR 42 HA THR 42 -4.428 7.857 0.418 304 HB THR 42 HB THR 42 -5.080 8.206 3.350 305 HG1 THR 42 1HG THR 42 -6.624 9.353 2.358 306 HG21 THR 42 1HG2 THR 42 -3.000 9.016 3.473 307 HG22 THR 42 2HG2 THR 42 -3.545 10.341 2.445 308 HG23 THR 42 3HG2 THR 42 -2.789 8.920 1.726 309 H TRP 43 H TRP 43 -2.316 7.247 0.718 310 HA TRP 43 HA TRP 43 -1.931 4.670 2.042 311 HB2 TRP 43 1HB TRP 43 -0.303 6.217 0.030 312 HB3 TRP 43 2HB TRP 43 0.329 4.794 0.852 313 HD1 TRP 43 HD TRP 43 -2.243 5.838 -1.779 314 HE1 TRP 43 1HE TRP 43 -2.995 3.743 -3.072 315 HE3 TRP 43 3HE TRP 43 0.061 2.263 1.058 316 HZ2 TRP 43 2HZ TRP 43 -2.656 0.946 -2.910 317 HZ3 TRP 43 3HZ TRP 43 -0.204 -0.099 0.421 318 HH2 TRP 43 HH TRP 43 -1.535 -0.742 -1.522 319 H TYR 44 H TYR 44 -0.698 4.385 3.812 320 HA TYR 44 HA TYR 44 0.863 6.679 4.795 321 HB2 TYR 44 1HB TYR 44 -0.987 4.896 6.386 322 HB3 TYR 44 2HB TYR 44 0.169 6.005 7.114 323 HD1 TYR 44 2HD TYR 44 -0.054 8.493 6.532 324 HD2 TYR 44 1HD TYR 44 -3.119 5.640 5.777 325 HE1 TYR 44 2HE TYR 44 -1.705 10.311 6.396 326 HE2 TYR 44 1HE TYR 44 -4.778 7.450 5.639 327 HH TYR 44 HH TYR 44 -3.976 10.655 5.288 328 H LYS 45 H LYS 45 2.888 6.220 5.383 329 HA LYS 45 HA LYS 45 3.626 3.383 5.695 330 HB2 LYS 45 1HB LYS 45 4.507 4.513 3.632 331 HB3 LYS 45 2HB LYS 45 5.406 5.603 4.678 332 HG2 LYS 45 1HG LYS 45 6.429 3.476 5.682 333 HG3 LYS 45 2HG LYS 45 5.795 2.666 4.248 334 HD2 LYS 45 1HD LYS 45 7.120 3.983 2.801 335 HD3 LYS 45 2HD LYS 45 7.520 5.126 4.085 336 HE2 LYS 45 1HE LYS 45 8.545 2.995 5.224 337 HE3 LYS 45 2HE LYS 45 8.588 2.388 3.569 338 HZ1 LYS 45 1HZ LYS 45 9.983 4.736 4.699 339 HZ2 LYS 45 2HZ LYS 45 9.753 4.566 3.032 340 HZ3 LYS 45 3HZ LYS 45 10.643 3.408 3.884 341 H ASP 46 H ASP 46 4.498 2.813 7.577 342 HA ASP 46 HA ASP 46 5.224 2.960 9.734 343 HB2 ASP 46 1HB ASP 46 7.268 3.608 8.327 344 HB3 ASP 46 2HB ASP 46 6.922 5.268 8.804 345 H GLY 47 H GLY 47 2.844 4.393 9.213 346 HA2 GLY 47 1HA GLY 47 1.444 5.835 10.328 347 HA3 GLY 47 2HA GLY 47 2.700 5.993 11.547 348 H GLN 48 H GLN 48 3.023 6.790 8.129 349 HA GLN 48 HA GLN 48 2.833 9.636 8.692 350 HB2 GLN 48 1HB GLN 48 5.360 8.376 7.611 351 HB3 GLN 48 2HB GLN 48 5.048 10.105 7.701 352 HG2 GLN 48 1HG GLN 48 4.677 9.611 10.236 353 HG3 GLN 48 2HG GLN 48 5.624 8.166 9.886 354 HE21 GLN 48 1HE2 GLN 48 7.628 8.715 8.476 355 HE22 GLN 48 2HE2 GLN 48 8.573 10.044 9.045 356 H LYS 49 H LYS 49 1.740 10.559 7.099 357 HA LYS 49 HA LYS 49 0.729 9.341 4.880 358 HB2 LYS 49 1HB LYS 49 0.000 11.545 5.680 359 HB3 LYS 49 2HB LYS 49 1.508 12.254 5.117 360 HG2 LYS 49 1HG LYS 49 0.853 11.447 2.803 361 HG3 LYS 49 2HG LYS 49 -0.747 11.137 3.482 362 HD2 LYS 49 1HD LYS 49 0.580 13.809 3.796 363 HD3 LYS 49 2HD LYS 49 -0.317 13.403 2.331 364 HE2 LYS 49 1HE LYS 49 -2.335 13.150 3.515 365 HE3 LYS 49 2HE LYS 49 -1.509 13.089 5.071 366 HZ1 LYS 49 1HZ LYS 49 -1.435 15.309 5.207 367 HZ2 LYS 49 2HZ LYS 49 -2.678 15.278 4.060 368 HZ3 LYS 49 3HZ LYS 49 -1.078 15.519 3.566 369 H VAL 50 H VAL 50 1.283 9.125 2.723 370 HA VAL 50 HA VAL 50 4.153 9.240 2.179 371 HB VAL 50 HB VAL 50 3.749 7.776 0.326 372 HG11 VAL 50 1HG1 VAL 50 3.450 7.032 2.878 373 HG12 VAL 50 2HG1 VAL 50 1.874 6.544 2.252 374 HG13 VAL 50 3HG1 VAL 50 3.349 5.900 1.530 375 HG21 VAL 50 1HG2 VAL 50 1.501 7.059 -0.325 376 HG22 VAL 50 2HG2 VAL 50 0.804 8.156 0.868 377 HG23 VAL 50 3HG2 VAL 50 1.697 8.803 -0.509 378 H GLU 51 H GLU 51 5.012 10.219 0.319 379 HA GLU 51 HA GLU 51 3.385 12.440 -0.689 380 HB2 GLU 51 1HB GLU 51 6.371 11.980 -0.715 381 HB3 GLU 51 2HB GLU 51 5.581 13.359 -1.465 382 HG2 GLU 51 1HG GLU 51 6.422 14.041 0.653 383 HG3 GLU 51 2HG GLU 51 4.664 13.972 0.757 384 H GLU 52 H GLU 52 2.858 12.659 -2.794 385 HA GLU 52 HA GLU 52 3.338 10.389 -4.532 386 HB2 GLU 52 1HB GLU 52 1.556 12.792 -4.620 387 HB3 GLU 52 2HB GLU 52 1.885 11.911 -6.105 388 HG2 GLU 52 1HG GLU 52 0.921 9.926 -5.248 389 HG3 GLU 52 2HG GLU 52 0.840 10.592 -3.618 390 H SER 53 H SER 53 5.022 10.287 -5.846 391 HA SER 53 HA SER 53 5.819 12.537 -7.447 392 HB2 SER 53 1HB SER 53 8.227 12.419 -6.650 393 HB3 SER 53 2HB SER 53 7.091 13.163 -5.526 394 HG SER 53 HG SER 53 7.848 11.746 -4.173 395 H GLU 54 H GLU 54 7.917 11.888 -8.712 396 HA GLU 54 HA GLU 54 7.344 9.719 -10.312 397 HB2 GLU 54 1HB GLU 54 9.544 9.951 -11.244 398 HB3 GLU 54 2HB GLU 54 8.947 11.556 -10.848 399 HG2 GLU 54 1HG GLU 54 10.241 11.342 -8.678 400 HG3 GLU 54 2HG GLU 54 11.016 9.935 -9.404 401 H LEU 55 H LEU 55 9.177 9.828 -7.330 402 HA LEU 55 HA LEU 55 10.187 7.150 -7.570 403 HB2 LEU 55 1HB LEU 55 10.066 9.070 -5.254 404 HB3 LEU 55 2HB LEU 55 10.828 7.483 -5.175 405 HG LEU 55 HG LEU 55 11.689 9.714 -7.015 406 HD11 LEU 55 1HD1 LEU 55 13.465 8.866 -4.847 407 HD12 LEU 55 2HD1 LEU 55 12.002 9.692 -4.313 408 HD13 LEU 55 3HD1 LEU 55 13.095 10.481 -5.450 409 HD21 LEU 55 1HD2 LEU 55 12.397 7.753 -8.028 410 HD22 LEU 55 2HD2 LEU 55 12.667 6.934 -6.489 411 HD23 LEU 55 3HD2 LEU 55 13.781 8.192 -7.027 412 H LEU 56 H LEU 56 7.276 8.599 -6.471 413 HA LEU 56 HA LEU 56 6.392 5.994 -5.421 414 HB2 LEU 56 1HB LEU 56 6.769 7.960 -3.753 415 HB3 LEU 56 2HB LEU 56 5.247 8.563 -4.407 416 HG LEU 56 HG LEU 56 5.341 5.765 -3.390 417 HD11 LEU 56 1HD1 LEU 56 6.443 7.520 -1.763 418 HD12 LEU 56 2HD1 LEU 56 5.322 6.296 -1.170 419 HD13 LEU 56 3HD1 LEU 56 4.760 7.943 -1.452 420 HD21 LEU 56 1HD2 LEU 56 3.384 7.229 -4.482 421 HD22 LEU 56 2HD2 LEU 56 3.166 7.676 -2.790 422 HD23 LEU 56 3HD2 LEU 56 3.091 5.981 -3.271 423 H VAL 57 H VAL 57 5.084 5.206 -6.945 424 HA VAL 57 HA VAL 57 3.235 7.022 -8.323 425 HB VAL 57 HB VAL 57 3.974 4.172 -9.004 426 HG11 VAL 57 1HG1 VAL 57 2.571 4.266 -10.806 427 HG12 VAL 57 2HG1 VAL 57 1.667 5.274 -9.674 428 HG13 VAL 57 3HG1 VAL 57 2.660 6.023 -10.924 429 HG21 VAL 57 1HG2 VAL 57 5.415 6.557 -9.399 430 HG22 VAL 57 2HG2 VAL 57 5.749 4.965 -10.080 431 HG23 VAL 57 3HG2 VAL 57 4.743 6.109 -10.967 432 H VAL 58 H VAL 58 1.094 6.931 -8.011 433 HA VAL 58 HA VAL 58 0.006 4.656 -6.485 434 HB VAL 58 HB VAL 58 -0.772 7.560 -6.181 435 HG11 VAL 58 1HG1 VAL 58 -2.752 6.389 -5.842 436 HG12 VAL 58 2HG1 VAL 58 -1.929 5.021 -5.090 437 HG13 VAL 58 3HG1 VAL 58 -2.091 6.543 -4.214 438 HG21 VAL 58 1HG2 VAL 58 0.881 7.651 -4.696 439 HG22 VAL 58 2HG2 VAL 58 -0.005 6.477 -3.722 440 HG23 VAL 58 3HG2 VAL 58 1.211 5.927 -4.876 441 H LYS 59 H LYS 59 -1.476 3.590 -7.600 442 HA LYS 59 HA LYS 59 -2.868 4.951 -9.793 443 HB2 LYS 59 1HB LYS 59 -2.633 1.998 -9.186 444 HB3 LYS 59 2HB LYS 59 -3.409 2.695 -10.602 445 HG2 LYS 59 1HG LYS 59 -0.517 3.174 -9.957 446 HG3 LYS 59 2HG LYS 59 -1.065 1.792 -10.908 447 HD2 LYS 59 1HD LYS 59 -1.964 3.214 -12.597 448 HD3 LYS 59 2HD LYS 59 -1.734 4.649 -11.595 449 HE2 LYS 59 1HE LYS 59 0.082 4.809 -12.985 450 HE3 LYS 59 2HE LYS 59 0.778 3.895 -11.648 451 HZ1 LYS 59 1HZ LYS 59 -0.229 1.964 -13.256 452 HZ2 LYS 59 2HZ LYS 59 1.389 2.455 -13.216 453 HZ3 LYS 59 3HZ LYS 59 0.338 3.101 -14.374 454 H MET 60 H MET 60 -5.149 4.587 -10.107 455 HA MET 60 HA MET 60 -6.643 3.654 -7.778 456 HB2 MET 60 1HB MET 60 -6.305 6.098 -7.486 457 HB3 MET 60 2HB MET 60 -7.112 6.368 -9.024 458 HG2 MET 60 1HG MET 60 -9.044 5.008 -7.902 459 HG3 MET 60 2HG MET 60 -8.245 5.506 -6.413 460 HE1 MET 60 1HE MET 60 -11.172 7.825 -8.817 461 HE2 MET 60 2HE MET 60 -10.457 6.279 -9.274 462 HE3 MET 60 3HE MET 60 -11.380 6.416 -7.776 463 H ASP 61 H ASP 61 -8.009 2.193 -8.544 464 HA ASP 61 HA ASP 61 -9.461 2.788 -11.031 465 HB2 ASP 61 1HB ASP 61 -7.504 1.002 -11.107 466 HB3 ASP 61 2HB ASP 61 -8.744 -0.045 -10.422 467 H GLY 62 H GLY 62 -11.468 3.160 -10.304 468 HA2 GLY 62 1HA GLY 62 -13.418 2.920 -9.091 469 HA3 GLY 62 2HA GLY 62 -13.246 1.239 -9.574 470 H ARG 63 H ARG 63 -12.756 -0.276 -8.070 471 HA ARG 63 HA ARG 63 -12.373 0.695 -5.315 472 HB2 ARG 63 1HB ARG 63 -13.318 -1.677 -4.777 473 HB3 ARG 63 2HB ARG 63 -14.419 -0.385 -5.239 474 HG2 ARG 63 1HG ARG 63 -14.882 -1.316 -7.275 475 HG3 ARG 63 2HG ARG 63 -13.333 -2.157 -7.366 476 HD2 ARG 63 1HD ARG 63 -14.130 -3.643 -5.517 477 HD3 ARG 63 2HD ARG 63 -15.712 -2.878 -5.662 478 HE ARG 63 HE ARG 63 -14.981 -3.784 -8.191 479 HH11 ARG 63 2HH1 ARG 63 -15.733 -5.101 -5.057 480 HH12 ARG 63 1HH1 ARG 63 -16.353 -6.591 -5.687 481 HH21 ARG 63 2HH2 ARG 63 -15.795 -5.741 -9.033 482 HH22 ARG 63 1HH2 ARG 63 -16.387 -6.954 -7.949 483 H LYS 64 H LYS 64 -10.194 0.338 -7.069 484 HA LYS 64 HA LYS 64 -8.774 -1.796 -5.649 485 HB2 LYS 64 1HB LYS 64 -8.586 -1.356 -8.635 486 HB3 LYS 64 2HB LYS 64 -7.680 -2.540 -7.701 487 HG2 LYS 64 1HG LYS 64 -9.829 -3.621 -7.090 488 HG3 LYS 64 2HG LYS 64 -10.652 -2.497 -8.174 489 HD2 LYS 64 1HD LYS 64 -10.362 -4.278 -9.585 490 HD3 LYS 64 2HD LYS 64 -8.870 -3.388 -9.901 491 HE2 LYS 64 1HE LYS 64 -7.575 -4.879 -8.700 492 HE3 LYS 64 2HE LYS 64 -8.939 -5.450 -7.740 493 HZ1 LYS 64 1HZ LYS 64 -8.075 -6.263 -10.410 494 HZ2 LYS 64 2HZ LYS 64 -9.737 -6.259 -10.101 495 HZ3 LYS 64 3HZ LYS 64 -8.703 -7.197 -9.146 496 H HIS 65 H HIS 65 -7.285 -0.716 -4.531 497 HA HIS 65 HA HIS 65 -5.826 1.458 -5.882 498 HB2 HIS 65 1HB HIS 65 -6.307 1.025 -2.927 499 HB3 HIS 65 2HB HIS 65 -5.329 2.320 -3.610 500 HD1 HIS 65 1HD HIS 65 -6.529 4.442 -4.051 501 HD2 HIS 65 2HD HIS 65 -9.125 1.205 -3.838 502 HE1 HIS 65 1HE HIS 65 -8.839 5.421 -4.220 503 HE2 HIS 65 2HE HIS 65 -10.396 3.452 -4.003 504 H ARG 66 H ARG 66 -3.634 1.400 -5.977 505 HA ARG 66 HA ARG 66 -2.144 -0.542 -4.417 506 HB2 ARG 66 1HB ARG 66 -1.037 -1.435 -6.507 507 HB3 ARG 66 2HB ARG 66 -2.698 -1.950 -6.246 508 HG2 ARG 66 1HG ARG 66 -3.502 -0.728 -8.008 509 HG3 ARG 66 2HG ARG 66 -2.190 0.449 -7.930 510 HD2 ARG 66 1HD ARG 66 -0.640 -1.309 -8.751 511 HD3 ARG 66 2HD ARG 66 -2.022 -2.387 -8.939 512 HE ARG 66 HE ARG 66 -2.680 -0.145 -10.363 513 HH11 ARG 66 2HH1 ARG 66 -0.050 -2.426 -10.396 514 HH12 ARG 66 1HH1 ARG 66 0.250 -2.254 -12.094 515 HH21 ARG 66 2HH2 ARG 66 -2.295 0.090 -12.599 516 HH22 ARG 66 1HH2 ARG 66 -1.027 -0.822 -13.346 517 H LEU 67 H LEU 67 0.068 -0.096 -4.292 518 HA LEU 67 HA LEU 67 0.834 2.539 -5.359 519 HB2 LEU 67 1HB LEU 67 0.674 2.061 -2.816 520 HB3 LEU 67 2HB LEU 67 2.196 1.205 -3.052 521 HG LEU 67 HG LEU 67 1.832 4.087 -3.833 522 HD11 LEU 67 1HD1 LEU 67 2.892 3.034 -1.216 523 HD12 LEU 67 2HD1 LEU 67 1.325 3.811 -1.437 524 HD13 LEU 67 3HD1 LEU 67 2.809 4.722 -1.720 525 HD21 LEU 67 1HD2 LEU 67 4.208 4.154 -3.846 526 HD22 LEU 67 2HD2 LEU 67 3.726 2.730 -4.770 527 HD23 LEU 67 3HD2 LEU 67 4.321 2.551 -3.119 528 H ILE 68 H ILE 68 2.343 2.559 -6.879 529 HA ILE 68 HA ILE 68 4.043 0.188 -7.212 530 HB ILE 68 HB ILE 68 3.110 2.307 -9.116 531 HG12 ILE 68 1HG1 ILE 68 3.298 -0.642 -9.629 532 HG13 ILE 68 2HG1 ILE 68 1.995 -0.009 -8.631 533 HG21 ILE 68 1HG2 ILE 68 5.443 0.448 -9.553 534 HG22 ILE 68 2HG2 ILE 68 4.690 1.454 -10.790 535 HG23 ILE 68 3HG2 ILE 68 5.516 2.205 -9.425 536 HD11 ILE 68 1HD1 ILE 68 1.163 1.308 -10.428 537 HD12 ILE 68 2HD1 ILE 68 2.574 0.942 -11.422 538 HD13 ILE 68 3HD1 ILE 68 1.417 -0.330 -11.028 539 H LEU 69 H LEU 69 6.276 0.374 -7.483 540 HA LEU 69 HA LEU 69 7.460 3.000 -6.915 541 HB2 LEU 69 1HB LEU 69 7.916 0.425 -5.455 542 HB3 LEU 69 2HB LEU 69 9.167 1.665 -5.513 543 HG LEU 69 HG LEU 69 6.391 2.116 -4.424 544 HD11 LEU 69 1HD1 LEU 69 7.848 0.416 -3.190 545 HD12 LEU 69 2HD1 LEU 69 7.199 1.766 -2.260 546 HD13 LEU 69 3HD1 LEU 69 8.882 1.787 -2.786 547 HD21 LEU 69 1HD2 LEU 69 7.435 4.111 -3.427 548 HD22 LEU 69 2HD2 LEU 69 7.473 4.142 -5.190 549 HD23 LEU 69 3HD2 LEU 69 8.931 3.737 -4.283 550 HA PRO 70 HA PRO 70 9.810 1.720 -10.482 551 HB2 PRO 70 1HB PRO 70 11.293 3.987 -10.653 552 HB3 PRO 70 2HB PRO 70 9.615 3.894 -11.200 553 HG2 PRO 70 1HG PRO 70 10.714 4.978 -8.635 554 HG3 PRO 70 2HG PRO 70 9.450 5.648 -9.682 555 HD2 PRO 70 1HD PRO 70 8.889 4.278 -7.415 556 HD3 PRO 70 2HD PRO 70 7.830 4.241 -8.839 557 H GLU 71 H GLU 71 11.268 3.108 -7.564 558 HA GLU 71 HA GLU 71 13.514 1.242 -7.890 559 HB2 GLU 71 1HB GLU 71 14.039 3.687 -8.509 560 HB3 GLU 71 2HB GLU 71 13.906 4.013 -6.787 561 HG2 GLU 71 1HG GLU 71 15.691 2.429 -6.330 562 HG3 GLU 71 2HG GLU 71 15.808 2.051 -8.048 563 H ALA 72 H ALA 72 13.491 -0.114 -6.235 564 HA ALA 72 HA ALA 72 12.212 0.615 -3.736 565 HB1 ALA 72 1HB ALA 72 13.600 -1.990 -4.261 566 HB2 ALA 72 2HB ALA 72 12.236 -1.653 -3.194 567 HB3 ALA 72 3HB ALA 72 12.011 -1.643 -4.943 568 H LYS 73 H LYS 73 13.482 2.003 -2.601 569 HA LYS 73 HA LYS 73 16.315 1.415 -2.250 570 HB2 LYS 73 1HB LYS 73 14.609 3.739 -1.345 571 HB3 LYS 73 2HB LYS 73 16.328 3.588 -1.005 572 HG2 LYS 73 1HG LYS 73 16.859 3.697 -3.342 573 HG3 LYS 73 2HG LYS 73 15.147 3.661 -3.773 574 HD2 LYS 73 1HD LYS 73 14.792 5.832 -3.087 575 HD3 LYS 73 2HD LYS 73 16.148 5.809 -1.958 576 HE2 LYS 73 1HE LYS 73 17.641 5.651 -4.018 577 HE3 LYS 73 2HE LYS 73 16.208 6.081 -4.951 578 HZ1 LYS 73 1HZ LYS 73 17.840 7.722 -3.199 579 HZ2 LYS 73 2HZ LYS 73 16.172 7.974 -3.083 580 HZ3 LYS 73 3HZ LYS 73 16.952 8.154 -4.573 581 H VAL 74 H VAL 74 17.291 1.093 -0.228 582 HA VAL 74 HA VAL 74 16.100 -0.650 1.520 583 HB VAL 74 HB VAL 74 18.255 1.355 2.204 584 HG11 VAL 74 1HG1 VAL 74 16.990 0.088 4.080 585 HG12 VAL 74 2HG1 VAL 74 17.908 -1.310 3.517 586 HG13 VAL 74 3HG1 VAL 74 18.753 0.124 4.101 587 HG21 VAL 74 1HG2 VAL 74 19.721 -0.699 1.786 588 HG22 VAL 74 2HG2 VAL 74 18.322 -1.372 0.948 589 HG23 VAL 74 3HG2 VAL 74 19.056 0.126 0.376 590 H GLN 75 H GLN 75 15.967 2.850 1.533 591 HA GLN 75 HA GLN 75 14.924 3.184 4.137 592 HB2 GLN 75 1HB GLN 75 14.587 4.943 1.701 593 HB3 GLN 75 2HB GLN 75 14.242 5.419 3.358 594 HG2 GLN 75 1HG GLN 75 16.473 5.505 3.941 595 HG3 GLN 75 2HG GLN 75 16.963 4.437 2.627 596 HE21 GLN 75 1HE2 GLN 75 15.629 7.642 3.281 597 HE22 GLN 75 2HE2 GLN 75 16.370 8.422 1.930 598 H ASP 76 H ASP 76 13.407 2.671 0.995 599 HA ASP 76 HA ASP 76 10.746 3.131 1.772 600 HB2 ASP 76 1HB ASP 76 11.816 1.299 -0.386 601 HB3 ASP 76 2HB ASP 76 10.141 1.826 -0.237 602 H SER 77 H SER 77 12.861 0.751 2.773 603 HA SER 77 HA SER 77 11.154 -1.498 2.952 604 HB2 SER 77 1HB SER 77 13.471 -0.868 4.789 605 HB3 SER 77 2HB SER 77 12.821 -2.457 4.385 606 HG SER 77 HG SER 77 13.694 -0.873 2.271 607 H GLY 78 H GLY 78 9.194 -1.142 3.872 608 HA2 GLY 78 1HA GLY 78 9.035 -1.025 6.706 609 HA3 GLY 78 2HA GLY 78 8.591 0.526 6.007 610 H GLU 79 H GLU 79 6.606 -0.339 7.316 611 HA GLU 79 HA GLU 79 4.965 -2.202 5.819 612 HB2 GLU 79 1HB GLU 79 5.015 -2.135 8.329 613 HB3 GLU 79 2HB GLU 79 4.215 -0.572 8.249 614 HG2 GLU 79 1HG GLU 79 2.974 -2.879 6.845 615 HG3 GLU 79 2HG GLU 79 2.858 -2.789 8.602 616 H PHE 80 H PHE 80 3.273 -1.708 4.532 617 HA PHE 80 HA PHE 80 2.759 1.151 4.059 618 HB2 PHE 80 1HB PHE 80 2.716 -1.248 2.257 619 HB3 PHE 80 2HB PHE 80 1.771 0.179 1.846 620 HD1 PHE 80 1HD PHE 80 5.220 -0.899 2.715 621 HD2 PHE 80 2HD PHE 80 2.761 1.945 0.719 622 HE1 PHE 80 1HE PHE 80 7.223 0.135 1.729 623 HE2 PHE 80 2HE PHE 80 4.760 2.983 -0.271 624 HZ PHE 80 HZ PHE 80 6.994 2.078 0.233 625 H GLU 81 H GLU 81 0.844 1.938 4.617 626 HA GLU 81 HA GLU 81 -1.356 0.043 5.104 627 HB2 GLU 81 1HB GLU 81 -0.487 1.356 7.066 628 HB3 GLU 81 2HB GLU 81 -1.048 2.815 6.262 629 HG2 GLU 81 1HG GLU 81 -3.343 1.753 6.227 630 HG3 GLU 81 2HG GLU 81 -2.689 0.540 7.326 631 H CYS 82 H CYS 82 -3.399 0.469 4.307 632 HA CYS 82 HA CYS 82 -3.629 2.744 2.453 633 HB2 CYS 82 1HB CYS 82 -3.273 0.645 1.202 634 HB3 CYS 82 2HB CYS 82 -4.681 -0.055 1.991 635 HG CYS 82 HG CYS 82 -4.955 2.774 0.106 636 H ARG 83 H ARG 83 -4.875 4.023 3.754 637 HA ARG 83 HA ARG 83 -7.210 2.938 5.082 638 HB2 ARG 83 1HB ARG 83 -5.660 4.766 6.004 639 HB3 ARG 83 2HB ARG 83 -6.478 5.852 4.888 640 HG2 ARG 83 1HG ARG 83 -8.432 5.817 6.064 641 HG3 ARG 83 2HG ARG 83 -8.141 4.202 6.712 642 HD2 ARG 83 1HD ARG 83 -6.711 4.990 8.369 643 HD3 ARG 83 2HD ARG 83 -6.408 6.505 7.519 644 HE ARG 83 HE ARG 83 -9.030 6.679 8.072 645 HH11 ARG 83 2HH1 ARG 83 -6.274 5.872 10.041 646 HH12 ARG 83 1HH1 ARG 83 -6.967 6.504 11.498 647 HH21 ARG 83 2HH2 ARG 83 -9.952 7.514 9.983 648 HH22 ARG 83 1HH2 ARG 83 -9.059 7.437 11.464 649 H THR 84 H THR 84 -9.343 3.448 4.619 650 HA THR 84 HA THR 84 -9.843 4.882 2.099 651 HB THR 84 HB THR 84 -10.223 2.809 1.232 652 HG1 THR 84 1HG THR 84 -12.682 2.899 2.628 653 HG21 THR 84 1HG2 THR 84 -11.433 1.073 2.930 654 HG22 THR 84 2HG2 THR 84 -10.471 2.026 4.059 655 HG23 THR 84 3HG2 THR 84 -9.688 1.195 2.716 656 H GLU 85 H GLU 85 -11.952 3.163 4.386 657 HA GLU 85 HA GLU 85 -13.344 5.714 4.871 658 HB2 GLU 85 1HB GLU 85 -14.599 3.920 3.585 659 HB3 GLU 85 2HB GLU 85 -14.584 2.972 5.064 660 HG2 GLU 85 1HG GLU 85 -15.648 5.757 5.101 661 HG3 GLU 85 2HG GLU 85 -16.641 4.441 4.478 662 H GLY 86 H GLY 86 -13.264 2.498 6.417 663 HA2 GLY 86 1HA GLY 86 -12.661 3.868 8.965 664 HA3 GLY 86 2HA GLY 86 -13.841 2.569 8.862 665 H VAL 87 H VAL 87 -11.964 1.268 6.822 666 HA VAL 87 HA VAL 87 -10.103 0.129 8.805 667 HB VAL 87 HB VAL 87 -10.213 -1.983 7.598 668 HG11 VAL 87 1HG1 VAL 87 -13.010 -1.923 7.798 669 HG12 VAL 87 2HG1 VAL 87 -11.852 -2.436 9.027 670 HG13 VAL 87 3HG1 VAL 87 -12.410 -0.763 8.984 671 HG21 VAL 87 1HG2 VAL 87 -11.067 -0.469 5.466 672 HG22 VAL 87 2HG2 VAL 87 -11.061 -2.231 5.543 673 HG23 VAL 87 3HG2 VAL 87 -12.526 -1.336 5.948 674 H SER 88 H SER 88 -8.278 -1.134 7.559 675 HA SER 88 HA SER 88 -7.388 0.129 5.125 676 HB2 SER 88 1HB SER 88 -5.532 0.430 7.467 677 HB3 SER 88 2HB SER 88 -5.528 1.293 5.929 678 HG SER 88 HG SER 88 -7.396 1.579 8.046 679 H ALA 89 H ALA 89 -5.560 -0.907 4.191 680 HA ALA 89 HA ALA 89 -5.155 -3.624 5.224 681 HB1 ALA 89 1HB ALA 89 -4.285 -4.088 2.920 682 HB2 ALA 89 2HB ALA 89 -5.984 -3.619 2.992 683 HB3 ALA 89 3HB ALA 89 -4.767 -2.450 2.478 684 H PHE 90 H PHE 90 -3.185 -4.383 5.792 685 HA PHE 90 HA PHE 90 -0.953 -2.469 5.695 686 HB2 PHE 90 1HB PHE 90 -1.636 -4.677 7.626 687 HB3 PHE 90 2HB PHE 90 -0.021 -3.980 7.553 688 HD1 PHE 90 1HD PHE 90 -3.527 -2.689 7.588 689 HD2 PHE 90 2HD PHE 90 0.413 -2.435 9.178 690 HE1 PHE 90 1HE PHE 90 -4.250 -0.871 9.080 691 HE2 PHE 90 2HE PHE 90 -0.304 -0.617 10.674 692 HZ PHE 90 HZ PHE 90 -2.638 0.167 10.626 693 H PHE 91 H PHE 91 0.711 -2.913 4.419 694 HA PHE 91 HA PHE 91 1.125 -5.706 3.575 695 HB2 PHE 91 1HB PHE 91 1.744 -3.240 1.939 696 HB3 PHE 91 2HB PHE 91 1.853 -4.916 1.412 697 HD1 PHE 91 2HD PHE 91 -0.394 -2.131 2.147 698 HD2 PHE 91 1HD PHE 91 -0.128 -6.176 0.848 699 HE1 PHE 91 2HE PHE 91 -2.718 -2.024 1.346 700 HE2 PHE 91 1HE PHE 91 -2.451 -6.074 0.044 701 HZ PHE 91 HZ PHE 91 -3.750 -3.997 0.294 702 H GLY 92 H GLY 92 2.921 -6.511 4.427 703 HA2 GLY 92 1HA GLY 92 4.982 -4.840 5.511 704 HA3 GLY 92 2HA GLY 92 4.995 -6.596 5.435 705 H VAL 93 H VAL 93 6.538 -3.894 4.389 706 HA VAL 93 HA VAL 93 7.582 -5.277 2.003 707 HB VAL 93 HB VAL 93 7.327 -2.297 2.430 708 HG11 VAL 93 1HG1 VAL 93 8.461 -3.857 0.111 709 HG12 VAL 93 2HG1 VAL 93 8.164 -2.117 0.118 710 HG13 VAL 93 3HG1 VAL 93 9.357 -2.814 1.215 711 HG21 VAL 93 1HG2 VAL 93 5.543 -4.254 1.330 712 HG22 VAL 93 2HG2 VAL 93 5.296 -2.523 1.557 713 HG23 VAL 93 3HG2 VAL 93 6.041 -3.120 0.074 714 H THR 94 H THR 94 9.658 -5.806 2.102 715 HA THR 94 HA THR 94 11.472 -4.193 3.754 716 HB THR 94 HB THR 94 11.254 -7.207 3.827 717 HG1 THR 94 1HG THR 94 9.886 -6.430 5.330 718 HG21 THR 94 1HG2 THR 94 13.457 -7.227 4.208 719 HG22 THR 94 2HG2 THR 94 13.112 -6.400 5.727 720 HG23 THR 94 3HG2 THR 94 13.528 -5.467 4.289 721 H VAL 95 H VAL 95 12.951 -3.420 2.404 722 HA VAL 95 HA VAL 95 13.744 -4.987 0.064 723 HB VAL 95 HB VAL 95 14.285 -2.107 0.794 724 HG11 VAL 95 1HG1 VAL 95 15.364 -3.847 -1.362 725 HG12 VAL 95 2HG1 VAL 95 14.989 -2.166 -1.750 726 HG13 VAL 95 3HG1 VAL 95 16.141 -2.541 -0.467 727 HG21 VAL 95 1HG2 VAL 95 12.835 -2.794 -1.667 728 HG22 VAL 95 2HG2 VAL 95 11.990 -3.183 -0.169 729 HG23 VAL 95 3HG2 VAL 95 12.520 -1.530 -0.478 730 H GLN 96 H GLN 96 15.472 -6.243 0.215 731 HA GLN 96 HA GLN 96 17.601 -5.501 2.106 732 HB2 GLN 96 1HB GLN 96 16.715 -8.175 1.036 733 HB3 GLN 96 2HB GLN 96 18.254 -7.956 1.858 734 HG2 GLN 96 1HG GLN 96 17.221 -7.424 3.891 735 HG3 GLN 96 2HG GLN 96 15.659 -7.146 3.121 736 HE21 GLN 96 1HE2 GLN 96 14.882 -8.603 4.789 737 HE22 GLN 96 2HE2 GLN 96 14.977 -10.308 4.530 738 H ASP 97 H ASP 97 19.530 -4.945 1.337 739 HA ASP 97 HA ASP 97 19.998 -4.740 -1.456 740 HB2 ASP 97 1HB ASP 97 22.208 -3.905 -0.831 741 HB3 ASP 97 2HB ASP 97 20.965 -3.167 0.176 742 HA PRO 98 HA PRO 98 21.563 -8.793 -2.253 743 HB2 PRO 98 1HB PRO 98 22.706 -8.271 -4.660 744 HB3 PRO 98 2HB PRO 98 20.958 -8.419 -4.438 745 HG2 PRO 98 1HG PRO 98 22.642 -5.951 -4.620 746 HG3 PRO 98 2HG PRO 98 21.070 -6.290 -5.366 747 HD2 PRO 98 1HD PRO 98 21.325 -4.795 -3.123 748 HD3 PRO 98 2HD PRO 98 19.909 -5.819 -3.432 749 H SER 99 H SER 99 23.574 -9.915 -2.528 750 HA SER 99 HA SER 99 25.798 -8.497 -1.305 751 HB2 SER 99 1HB SER 99 25.119 -10.747 -0.486 752 HB3 SER 99 2HB SER 99 25.569 -11.423 -2.051 753 HG SER 99 HG SER 99 27.211 -10.334 -0.043 754 H GLY 100 H GLY 100 26.772 -7.233 -2.822 755 HA2 GLY 100 1HA GLY 100 28.594 -8.407 -4.610 756 HA3 GLY 100 2HA GLY 100 27.175 -7.905 -5.519 757 HA PRO 101 HA PRO 101 30.043 -4.303 -5.440 758 HB2 PRO 101 1HB PRO 101 29.545 -3.575 -8.008 759 HB3 PRO 101 2HB PRO 101 30.752 -4.790 -7.571 760 HG2 PRO 101 1HG PRO 101 27.951 -5.171 -8.556 761 HG3 PRO 101 2HG PRO 101 29.427 -6.037 -9.020 762 HD2 PRO 101 1HD PRO 101 27.627 -7.059 -7.275 763 HD3 PRO 101 2HD PRO 101 29.366 -7.395 -7.159 764 H SER 102 H SER 102 29.526 -2.143 -5.241 765 HA SER 102 HA SER 102 26.692 -1.428 -5.617 766 HB2 SER 102 1HB SER 102 26.628 -0.284 -3.559 767 HB3 SER 102 2HB SER 102 27.494 -1.775 -3.189 768 HG SER 102 HG SER 102 28.947 -0.451 -2.439 769 H SER 103 H SER 103 26.292 0.424 -6.676 770 HA SER 103 HA SER 103 28.423 1.761 -8.007 771 HB2 SER 103 1HB SER 103 26.631 3.235 -8.894 772 HB3 SER 103 2HB SER 103 26.249 1.524 -9.080 773 HG SER 103 HG SER 103 24.686 3.238 -8.048 774 H GLY 104 H GLY 104 29.346 3.728 -7.643 775 HA2 GLY 104 1HA GLY 104 29.747 5.770 -6.611 776 HA3 GLY 104 2HA GLY 104 28.296 5.535 -5.649 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -35.329 6.862 13.468 2 HA2 GLY 1 1HA GLY 1 -33.208 7.919 13.990 3 HA3 GLY 1 2HA GLY 1 -33.528 7.594 15.688 4 H SER 2 H SER 2 -33.251 5.788 12.625 5 HA SER 2 HA SER 2 -32.634 3.311 13.671 6 HB2 SER 2 1HB SER 2 -31.751 2.738 11.522 7 HB3 SER 2 2HB SER 2 -33.059 3.888 11.243 8 HG SER 2 HG SER 2 -30.443 4.094 10.615 9 H SER 3 H SER 3 -30.655 2.181 13.973 10 HA SER 3 HA SER 3 -28.130 3.490 13.947 11 HB2 SER 3 1HB SER 3 -27.757 3.400 16.432 12 HB3 SER 3 2HB SER 3 -28.919 4.624 15.919 13 HG SER 3 HG SER 3 -29.706 3.447 17.696 14 H GLY 4 H GLY 4 -26.445 2.053 14.157 15 HA2 GLY 4 1HA GLY 4 -26.164 -0.284 15.435 16 HA3 GLY 4 2HA GLY 4 -27.197 -0.753 14.093 17 H SER 5 H SER 5 -24.746 -1.922 14.388 18 HA SER 5 HA SER 5 -22.484 -0.919 13.333 19 HB2 SER 5 1HB SER 5 -23.185 -3.394 13.934 20 HB3 SER 5 2HB SER 5 -23.401 -3.527 12.189 21 HG SER 5 HG SER 5 -21.043 -2.364 13.116 22 H SER 6 H SER 6 -22.009 0.237 11.598 23 HA SER 6 HA SER 6 -23.670 -0.089 9.187 24 HB2 SER 6 1HB SER 6 -22.407 2.287 10.473 25 HB3 SER 6 2HB SER 6 -22.518 2.269 8.713 26 HG SER 6 HG SER 6 -24.406 2.911 10.403 27 H GLY 7 H GLY 7 -22.727 -0.504 7.247 28 HA2 GLY 7 1HA GLY 7 -19.778 -0.658 7.197 29 HA3 GLY 7 2HA GLY 7 -20.776 -1.956 6.559 30 HA PRO 8 HA PRO 8 -21.120 1.925 3.636 31 HB2 PRO 8 1HB PRO 8 -18.974 3.583 3.755 32 HB3 PRO 8 2HB PRO 8 -20.427 3.821 4.733 33 HG2 PRO 8 1HG PRO 8 -17.811 2.581 5.497 34 HG3 PRO 8 2HG PRO 8 -18.821 3.716 6.412 35 HD2 PRO 8 1HD PRO 8 -18.808 1.054 6.906 36 HD3 PRO 8 2HD PRO 8 -20.254 2.059 7.129 37 H VAL 9 H VAL 9 -17.751 1.003 4.373 38 HA VAL 9 HA VAL 9 -17.535 -0.381 1.843 39 HB VAL 9 HB VAL 9 -17.000 1.994 1.280 40 HG11 VAL 9 1HG1 VAL 9 -15.450 3.213 2.357 41 HG12 VAL 9 2HG1 VAL 9 -15.697 2.051 3.662 42 HG13 VAL 9 3HG1 VAL 9 -14.353 1.845 2.538 43 HG21 VAL 9 1HG2 VAL 9 -14.464 1.138 0.593 44 HG22 VAL 9 2HG2 VAL 9 -15.374 -0.361 0.783 45 HG23 VAL 9 3HG2 VAL 9 -15.940 0.878 -0.337 46 H HIS 10 H HIS 10 -16.334 -2.144 2.117 47 HA HIS 10 HA HIS 10 -14.339 -2.159 4.285 48 HB2 HIS 10 1HB HIS 10 -14.894 -4.605 4.552 49 HB3 HIS 10 2HB HIS 10 -16.166 -3.495 5.052 50 HD1 HIS 10 1HD HIS 10 -18.365 -4.386 4.399 51 HD2 HIS 10 2HD HIS 10 -15.456 -5.259 1.564 52 HE1 HIS 10 1HE HIS 10 -19.561 -5.632 2.571 53 HE2 HIS 10 2HE HIS 10 -17.765 -6.225 0.908 54 H ILE 11 H ILE 11 -12.622 -3.791 4.005 55 HA ILE 11 HA ILE 11 -11.720 -3.800 1.242 56 HB ILE 11 HB ILE 11 -10.361 -4.507 3.835 57 HG12 ILE 11 1HG1 ILE 11 -9.633 -2.426 1.773 58 HG13 ILE 11 2HG1 ILE 11 -10.710 -2.092 3.124 59 HG21 ILE 11 1HG2 ILE 11 -9.455 -6.074 2.332 60 HG22 ILE 11 2HG2 ILE 11 -9.404 -4.903 1.016 61 HG23 ILE 11 3HG2 ILE 11 -8.295 -4.747 2.378 62 HD11 ILE 11 1HD1 ILE 11 -8.912 -1.556 4.294 63 HD12 ILE 11 2HD1 ILE 11 -8.467 -3.263 4.273 64 HD13 ILE 11 3HD1 ILE 11 -7.837 -2.173 3.039 65 H LEU 12 H LEU 12 -11.383 -5.587 -0.002 66 HA LEU 12 HA LEU 12 -12.510 -8.098 1.018 67 HB2 LEU 12 1HB LEU 12 -11.867 -7.646 -1.858 68 HB3 LEU 12 2HB LEU 12 -13.124 -8.646 -1.134 69 HG LEU 12 HG LEU 12 -13.182 -5.631 -1.191 70 HD11 LEU 12 1HD1 LEU 12 -13.798 -7.582 -3.245 71 HD12 LEU 12 2HD1 LEU 12 -13.686 -5.826 -3.349 72 HD13 LEU 12 3HD1 LEU 12 -15.191 -6.584 -2.830 73 HD21 LEU 12 1HD2 LEU 12 -15.459 -5.854 -0.500 74 HD22 LEU 12 2HD2 LEU 12 -14.461 -6.790 0.613 75 HD23 LEU 12 3HD2 LEU 12 -15.388 -7.610 -0.644 76 H SER 13 H SER 13 -9.687 -6.737 -0.598 77 HA SER 13 HA SER 13 -8.101 -8.994 0.329 78 HB2 SER 13 1HB SER 13 -8.476 -9.919 -1.765 79 HB3 SER 13 2HB SER 13 -8.597 -8.346 -2.553 80 HG SER 13 HG SER 13 -6.259 -9.666 -1.649 81 HA PRO 14 HA PRO 14 -6.121 -9.627 0.544 82 HB2 PRO 14 1HB PRO 14 -4.640 -9.302 2.795 83 HB3 PRO 14 2HB PRO 14 -3.938 -9.284 1.173 84 HG2 PRO 14 1HG PRO 14 -4.673 -6.985 2.944 85 HG3 PRO 14 2HG PRO 14 -3.224 -7.210 1.946 86 HD2 PRO 14 1HD PRO 14 -5.304 -5.660 1.168 87 HD3 PRO 14 2HD PRO 14 -4.303 -6.564 0.014 88 H GLN 15 H GLN 15 -6.173 -10.578 3.037 89 HA GLN 15 HA GLN 15 -8.694 -9.528 4.140 90 HB2 GLN 15 1HB GLN 15 -7.574 -12.334 4.172 91 HB3 GLN 15 2HB GLN 15 -9.017 -11.838 5.046 92 HG2 GLN 15 1HG GLN 15 -10.195 -11.407 3.043 93 HG3 GLN 15 2HG GLN 15 -8.729 -11.534 2.073 94 HE21 GLN 15 1HE2 GLN 15 -10.997 -13.340 4.056 95 HE22 GLN 15 2HE2 GLN 15 -10.702 -14.877 3.324 96 H ASP 16 H ASP 16 -5.399 -10.253 4.797 97 HA ASP 16 HA ASP 16 -5.611 -9.061 7.415 98 HB2 ASP 16 1HB ASP 16 -4.405 -11.021 8.499 99 HB3 ASP 16 2HB ASP 16 -6.109 -11.268 8.126 100 H LYS 17 H LYS 17 -3.285 -9.296 8.504 101 HA LYS 17 HA LYS 17 -1.518 -7.770 7.062 102 HB2 LYS 17 1HB LYS 17 -1.347 -8.158 9.486 103 HB3 LYS 17 2HB LYS 17 -0.822 -9.809 9.185 104 HG2 LYS 17 1HG LYS 17 1.191 -8.803 9.528 105 HG3 LYS 17 2HG LYS 17 1.048 -8.610 7.780 106 HD2 LYS 17 1HD LYS 17 -0.011 -6.350 8.272 107 HD3 LYS 17 2HD LYS 17 0.555 -6.564 9.930 108 HE2 LYS 17 1HE LYS 17 2.482 -6.923 7.684 109 HE3 LYS 17 2HE LYS 17 2.013 -5.289 8.152 110 HZ1 LYS 17 1HZ LYS 17 3.078 -5.448 10.127 111 HZ2 LYS 17 2HZ LYS 17 4.032 -6.549 9.267 112 HZ3 LYS 17 3HZ LYS 17 2.807 -7.110 10.289 113 H VAL 18 H VAL 18 -0.007 -8.100 5.535 114 HA VAL 18 HA VAL 18 0.467 -10.881 4.676 115 HB VAL 18 HB VAL 18 0.892 -9.997 2.419 116 HG11 VAL 18 1HG1 VAL 18 -1.658 -8.875 2.442 117 HG12 VAL 18 2HG1 VAL 18 -1.243 -10.569 2.167 118 HG13 VAL 18 3HG1 VAL 18 -1.647 -10.010 3.791 119 HG21 VAL 18 1HG2 VAL 18 0.730 -7.772 1.830 120 HG22 VAL 18 2HG2 VAL 18 -0.262 -7.363 3.230 121 HG23 VAL 18 3HG2 VAL 18 1.465 -7.661 3.429 122 H SER 19 H SER 19 2.561 -10.707 3.072 123 HA SER 19 HA SER 19 4.669 -9.119 4.275 124 HB2 SER 19 1HB SER 19 4.328 -11.394 5.547 125 HB3 SER 19 2HB SER 19 5.172 -12.072 4.155 126 HG SER 19 HG SER 19 6.097 -10.255 6.089 127 H LEU 20 H LEU 20 6.321 -8.708 2.885 128 HA LEU 20 HA LEU 20 6.622 -10.306 0.471 129 HB2 LEU 20 1HB LEU 20 6.241 -7.329 0.273 130 HB3 LEU 20 2HB LEU 20 6.371 -8.492 -1.045 131 HG LEU 20 HG LEU 20 4.086 -8.689 0.870 132 HD11 LEU 20 1HD1 LEU 20 3.442 -7.162 -1.498 133 HD12 LEU 20 2HD1 LEU 20 4.621 -6.328 -0.486 134 HD13 LEU 20 3HD1 LEU 20 3.074 -6.830 0.195 135 HD21 LEU 20 1HD2 LEU 20 3.901 -10.444 -0.549 136 HD22 LEU 20 2HD2 LEU 20 4.803 -9.644 -1.836 137 HD23 LEU 20 3HD2 LEU 20 3.110 -9.233 -1.558 138 H THR 21 H THR 21 8.592 -9.854 -0.688 139 HA THR 21 HA THR 21 10.555 -8.219 0.750 140 HB THR 21 HB THR 21 11.146 -11.047 -0.139 141 HG1 THR 21 1HG THR 21 10.791 -11.664 1.901 142 HG21 THR 21 1HG2 THR 21 13.169 -10.633 1.359 143 HG22 THR 21 2HG2 THR 21 12.738 -8.925 1.281 144 HG23 THR 21 3HG2 THR 21 13.147 -9.799 -0.194 145 H PHE 22 H PHE 22 12.246 -7.427 -0.515 146 HA PHE 22 HA PHE 22 12.391 -8.152 -3.320 147 HB2 PHE 22 1HB PHE 22 11.770 -5.308 -2.496 148 HB3 PHE 22 2HB PHE 22 12.047 -5.880 -4.138 149 HD1 PHE 22 1HD PHE 22 9.754 -6.117 -1.249 150 HD2 PHE 22 2HD PHE 22 10.303 -6.799 -5.414 151 HE1 PHE 22 1HE PHE 22 7.348 -6.576 -1.487 152 HE2 PHE 22 2HE PHE 22 7.898 -7.257 -5.660 153 HZ PHE 22 HZ PHE 22 6.417 -7.145 -3.695 154 H THR 23 H THR 23 14.112 -6.700 -4.425 155 HA THR 23 HA THR 23 16.357 -6.416 -2.540 156 HB THR 23 HB THR 23 16.517 -6.922 -5.516 157 HG1 THR 23 1HG THR 23 16.629 -8.671 -3.280 158 HG21 THR 23 1HG2 THR 23 18.706 -6.546 -5.329 159 HG22 THR 23 2HG2 THR 23 18.825 -7.689 -3.991 160 HG23 THR 23 3HG2 THR 23 18.435 -5.998 -3.675 161 H THR 24 H THR 24 17.568 -4.575 -2.521 162 HA THR 24 HA THR 24 16.505 -2.136 -3.087 163 HB THR 24 HB THR 24 19.444 -2.841 -3.170 164 HG1 THR 24 1HG THR 24 19.214 -1.913 -0.950 165 HG21 THR 24 1HG2 THR 24 19.454 -0.717 -4.055 166 HG22 THR 24 2HG2 THR 24 19.500 -0.347 -2.331 167 HG23 THR 24 3HG2 THR 24 17.978 -0.244 -3.215 168 H SER 25 H SER 25 16.640 -0.619 -4.745 169 HA SER 25 HA SER 25 16.672 0.139 -6.889 170 HB2 SER 25 1HB SER 25 18.999 -1.746 -6.868 171 HB3 SER 25 2HB SER 25 18.467 -1.054 -8.400 172 HG SER 25 HG SER 25 20.030 0.069 -6.653 173 H GLU 26 H GLU 26 14.695 -1.667 -6.285 174 HA GLU 26 HA GLU 26 14.408 -3.115 -8.832 175 HB2 GLU 26 1HB GLU 26 13.691 -4.046 -6.057 176 HB3 GLU 26 2HB GLU 26 12.989 -4.767 -7.498 177 HG2 GLU 26 1HG GLU 26 15.953 -4.565 -7.230 178 HG3 GLU 26 2HG GLU 26 15.073 -5.840 -6.389 179 H ARG 27 H ARG 27 11.929 -3.826 -8.972 180 HA ARG 27 HA ARG 27 10.400 -1.342 -8.599 181 HB2 ARG 27 1HB ARG 27 10.744 -2.203 -10.933 182 HB3 ARG 27 2HB ARG 27 9.798 -3.618 -10.491 183 HG2 ARG 27 1HG ARG 27 7.996 -1.871 -9.812 184 HG3 ARG 27 2HG ARG 27 8.916 -0.794 -10.864 185 HD2 ARG 27 1HD ARG 27 8.726 -2.546 -12.653 186 HD3 ARG 27 2HD ARG 27 7.608 -3.407 -11.595 187 HE ARG 27 HE ARG 27 6.557 -0.906 -11.758 188 HH11 ARG 27 2HH1 ARG 27 7.528 -3.290 -14.101 189 HH12 ARG 27 1HH1 ARG 27 6.357 -2.798 -15.280 190 HH21 ARG 27 2HH2 ARG 27 5.011 -0.249 -13.301 191 HH22 ARG 27 1HH2 ARG 27 4.926 -1.068 -14.824 192 H VAL 28 H VAL 28 9.066 -1.375 -6.922 193 HA VAL 28 HA VAL 28 7.821 -3.929 -6.147 194 HB VAL 28 HB VAL 28 8.234 -1.440 -4.484 195 HG11 VAL 28 1HG1 VAL 28 7.278 -2.582 -2.663 196 HG12 VAL 28 2HG1 VAL 28 6.177 -2.861 -4.014 197 HG13 VAL 28 3HG1 VAL 28 7.300 -4.127 -3.514 198 HG21 VAL 28 1HG2 VAL 28 9.489 -4.007 -3.745 199 HG22 VAL 28 2HG2 VAL 28 10.153 -3.198 -5.165 200 HG23 VAL 28 3HG2 VAL 28 10.108 -2.360 -3.613 201 H VAL 29 H VAL 29 5.663 -4.150 -6.186 202 HA VAL 29 HA VAL 29 3.977 -1.766 -6.407 203 HB VAL 29 HB VAL 29 3.675 -4.116 -8.278 204 HG11 VAL 29 1HG1 VAL 29 2.104 -1.686 -7.700 205 HG12 VAL 29 2HG1 VAL 29 2.300 -2.100 -9.404 206 HG13 VAL 29 3HG1 VAL 29 1.582 -3.264 -8.289 207 HG21 VAL 29 1HG2 VAL 29 4.969 -1.432 -8.684 208 HG22 VAL 29 2HG2 VAL 29 5.650 -3.032 -8.981 209 HG23 VAL 29 3HG2 VAL 29 4.372 -2.410 -10.025 210 H LEU 30 H LEU 30 2.632 -1.928 -4.741 211 HA LEU 30 HA LEU 30 1.911 -4.467 -3.600 212 HB2 LEU 30 1HB LEU 30 0.913 -1.690 -2.983 213 HB3 LEU 30 2HB LEU 30 0.595 -3.131 -2.020 214 HG LEU 30 HG LEU 30 3.326 -1.931 -2.473 215 HD11 LEU 30 1HD1 LEU 30 3.171 -0.832 -0.464 216 HD12 LEU 30 2HD1 LEU 30 1.892 -1.885 0.140 217 HD13 LEU 30 3HD1 LEU 30 1.524 -0.657 -1.070 218 HD21 LEU 30 1HD2 LEU 30 3.925 -3.425 -0.567 219 HD22 LEU 30 2HD2 LEU 30 3.493 -4.278 -2.049 220 HD23 LEU 30 3HD2 LEU 30 2.336 -4.174 -0.722 221 H THR 31 H THR 31 -0.631 -4.410 -2.885 222 HA THR 31 HA THR 31 -2.375 -3.703 -5.073 223 HB THR 31 HB THR 31 -2.075 -6.631 -4.385 224 HG1 THR 31 1HG THR 31 -0.546 -6.646 -5.837 225 HG21 THR 31 1HG2 THR 31 -4.327 -5.936 -5.100 226 HG22 THR 31 2HG2 THR 31 -3.555 -6.986 -6.288 227 HG23 THR 31 3HG2 THR 31 -3.637 -5.247 -6.569 228 H CYS 32 H CYS 32 -4.544 -3.701 -4.504 229 HA CYS 32 HA CYS 32 -5.479 -4.894 -2.073 230 HB2 CYS 32 1HB CYS 32 -4.302 -2.917 -1.175 231 HB3 CYS 32 2HB CYS 32 -5.290 -1.877 -2.195 232 HG CYS 32 HG CYS 32 -6.274 -3.686 0.524 233 H GLU 33 H GLU 33 -7.768 -4.637 -1.771 234 HA GLU 33 HA GLU 33 -9.182 -3.528 -4.100 235 HB2 GLU 33 1HB GLU 33 -8.921 -6.060 -4.164 236 HB3 GLU 33 2HB GLU 33 -9.979 -6.110 -2.761 237 HG2 GLU 33 1HG GLU 33 -11.823 -5.428 -3.954 238 HG3 GLU 33 2HG GLU 33 -10.857 -4.654 -5.209 239 H LEU 34 H LEU 34 -11.370 -2.900 -3.714 240 HA LEU 34 HA LEU 34 -12.053 -2.571 -0.869 241 HB2 LEU 34 1HB LEU 34 -12.188 -0.547 -3.087 242 HB3 LEU 34 2HB LEU 34 -13.098 -0.370 -1.588 243 HG LEU 34 HG LEU 34 -10.100 -0.390 -1.912 244 HD11 LEU 34 1HD1 LEU 34 -11.231 1.830 -0.489 245 HD12 LEU 34 2HD1 LEU 34 -11.997 1.665 -2.069 246 HD13 LEU 34 3HD1 LEU 34 -10.245 1.822 -1.951 247 HD21 LEU 34 1HD2 LEU 34 -11.833 -0.750 0.474 248 HD22 LEU 34 2HD2 LEU 34 -10.397 0.262 0.637 249 HD23 LEU 34 3HD2 LEU 34 -10.240 -1.418 0.118 250 H SER 35 H SER 35 -14.437 -1.845 -0.668 251 HA SER 35 HA SER 35 -16.016 -3.751 -2.212 252 HB2 SER 35 1HB SER 35 -16.060 -3.481 0.375 253 HB3 SER 35 2HB SER 35 -17.089 -2.086 0.050 254 HG SER 35 HG SER 35 -17.718 -4.478 -1.235 255 H ARG 36 H ARG 36 -15.377 -0.408 -2.073 256 HA ARG 36 HA ARG 36 -17.693 0.122 -3.815 257 HB2 ARG 36 1HB ARG 36 -16.403 2.104 -1.933 258 HB3 ARG 36 2HB ARG 36 -17.833 2.366 -2.923 259 HG2 ARG 36 1HG ARG 36 -17.816 0.172 -0.902 260 HG3 ARG 36 2HG ARG 36 -18.078 1.841 -0.393 261 HD2 ARG 36 1HD ARG 36 -19.984 2.038 -1.850 262 HD3 ARG 36 2HD ARG 36 -19.674 0.442 -2.534 263 HE ARG 36 HE ARG 36 -21.046 1.028 -0.102 264 HH11 ARG 36 2HH1 ARG 36 -19.025 -1.320 -1.689 265 HH12 ARG 36 1HH1 ARG 36 -19.605 -2.651 -0.743 266 HH21 ARG 36 2HH2 ARG 36 -21.817 -0.716 1.150 267 HH22 ARG 36 1HH2 ARG 36 -21.193 -2.306 0.871 268 H VAL 37 H VAL 37 -17.329 1.234 -5.681 269 HA VAL 37 HA VAL 37 -14.568 1.474 -6.527 270 HB VAL 37 HB VAL 37 -16.700 0.655 -7.893 271 HG11 VAL 37 1HG1 VAL 37 -17.563 3.116 -7.602 272 HG12 VAL 37 2HG1 VAL 37 -16.515 3.420 -8.989 273 HG13 VAL 37 3HG1 VAL 37 -17.822 2.243 -9.112 274 HG21 VAL 37 1HG2 VAL 37 -14.185 0.862 -8.503 275 HG22 VAL 37 2HG2 VAL 37 -15.378 0.716 -9.793 276 HG23 VAL 37 3HG2 VAL 37 -14.699 2.294 -9.395 277 H ASP 38 H ASP 38 -14.139 3.469 -8.020 278 HA ASP 38 HA ASP 38 -13.424 5.655 -7.788 279 HB2 ASP 38 1HB ASP 38 -15.459 5.741 -9.189 280 HB3 ASP 38 2HB ASP 38 -16.430 5.994 -7.741 281 H PHE 39 H PHE 39 -13.433 4.395 -5.265 282 HA PHE 39 HA PHE 39 -14.514 6.439 -3.460 283 HB2 PHE 39 1HB PHE 39 -14.818 3.825 -3.209 284 HB3 PHE 39 2HB PHE 39 -13.228 3.934 -2.460 285 HD1 PHE 39 1HD PHE 39 -12.920 5.083 -0.352 286 HD2 PHE 39 2HD PHE 39 -16.763 4.784 -2.155 287 HE1 PHE 39 1HE PHE 39 -13.965 5.755 1.772 288 HE2 PHE 39 2HE PHE 39 -17.814 5.456 -0.035 289 HZ PHE 39 HZ PHE 39 -16.415 5.943 1.932 290 HA PRO 40 HA PRO 40 -10.511 8.173 -2.838 291 HB2 PRO 40 1HB PRO 40 -10.969 9.407 -0.464 292 HB3 PRO 40 2HB PRO 40 -11.609 10.008 -1.998 293 HG2 PRO 40 1HG PRO 40 -12.972 8.388 0.118 294 HG3 PRO 40 2HG PRO 40 -13.586 9.777 -0.797 295 HD2 PRO 40 1HD PRO 40 -14.236 7.223 -1.416 296 HD3 PRO 40 2HD PRO 40 -14.093 8.496 -2.645 297 H ALA 41 H ALA 41 -8.684 8.088 -1.392 298 HA ALA 41 HA ALA 41 -8.658 6.571 0.990 299 HB1 ALA 41 1HB ALA 41 -7.169 4.708 -0.048 300 HB2 ALA 41 2HB ALA 41 -8.926 4.580 -0.147 301 HB3 ALA 41 3HB ALA 41 -8.002 5.131 -1.544 302 H THR 42 H THR 42 -6.529 6.375 1.909 303 HA THR 42 HA THR 42 -4.457 7.946 0.533 304 HB THR 42 HB THR 42 -5.248 8.241 3.438 305 HG1 THR 42 1HG THR 42 -5.232 10.227 1.406 306 HG21 THR 42 1HG2 THR 42 -3.446 10.255 2.670 307 HG22 THR 42 2HG2 THR 42 -2.752 8.737 2.099 308 HG23 THR 42 3HG2 THR 42 -3.162 8.934 3.803 309 H TRP 43 H TRP 43 -2.448 7.119 0.638 310 HA TRP 43 HA TRP 43 -2.112 4.565 1.987 311 HB2 TRP 43 1HB TRP 43 -0.454 6.085 -0.021 312 HB3 TRP 43 2HB TRP 43 0.140 4.630 0.775 313 HD1 TRP 43 HD TRP 43 -2.533 5.785 -1.730 314 HE1 TRP 43 1HE TRP 43 -3.326 3.739 -3.075 315 HE3 TRP 43 3HE TRP 43 -0.059 2.120 0.836 316 HZ2 TRP 43 2HZ TRP 43 -2.952 0.941 -3.051 317 HZ3 TRP 43 3HZ TRP 43 -0.330 -0.215 0.111 318 HH2 TRP 43 HH TRP 43 -1.747 -0.791 -1.792 319 H TYR 44 H TYR 44 -0.895 4.218 3.752 320 HA TYR 44 HA TYR 44 0.695 6.473 4.786 321 HB2 TYR 44 1HB TYR 44 -1.105 4.567 6.281 322 HB3 TYR 44 2HB TYR 44 0.105 5.562 7.084 323 HD1 TYR 44 2HD TYR 44 -0.148 8.003 7.166 324 HD2 TYR 44 1HD TYR 44 -3.137 5.529 5.419 325 HE1 TYR 44 2HE TYR 44 -1.746 9.870 7.270 326 HE2 TYR 44 1HE TYR 44 -4.742 7.390 5.517 327 HH TYR 44 HH TYR 44 -4.050 10.405 5.745 328 H LYS 45 H LYS 45 2.636 5.995 5.797 329 HA LYS 45 HA LYS 45 3.513 3.188 5.699 330 HB2 LYS 45 1HB LYS 45 4.352 4.735 3.790 331 HB3 LYS 45 2HB LYS 45 5.382 5.442 5.027 332 HG2 LYS 45 1HG LYS 45 6.299 3.175 5.474 333 HG3 LYS 45 2HG LYS 45 5.364 2.579 4.100 334 HD2 LYS 45 1HD LYS 45 6.693 3.631 2.566 335 HD3 LYS 45 2HD LYS 45 7.123 4.938 3.672 336 HE2 LYS 45 1HE LYS 45 8.311 2.944 4.958 337 HE3 LYS 45 2HE LYS 45 8.330 2.242 3.340 338 HZ1 LYS 45 1HZ LYS 45 9.824 4.487 4.400 339 HZ2 LYS 45 2HZ LYS 45 9.206 4.712 2.843 340 HZ3 LYS 45 3HZ LYS 45 10.227 3.403 3.165 341 H ASP 46 H ASP 46 4.372 2.486 7.541 342 HA ASP 46 HA ASP 46 4.981 2.496 9.747 343 HB2 ASP 46 1HB ASP 46 6.842 4.461 8.439 344 HB3 ASP 46 2HB ASP 46 6.974 4.108 10.159 345 H GLY 47 H GLY 47 2.728 4.202 9.099 346 HA2 GLY 47 1HA GLY 47 1.350 5.533 10.405 347 HA3 GLY 47 2HA GLY 47 2.671 5.722 11.548 348 H GLN 48 H GLN 48 2.959 6.437 8.130 349 HA GLN 48 HA GLN 48 2.719 9.300 8.636 350 HB2 GLN 48 1HB GLN 48 5.205 8.002 7.512 351 HB3 GLN 48 2HB GLN 48 4.888 9.732 7.490 352 HG2 GLN 48 1HG GLN 48 4.644 9.491 10.044 353 HG3 GLN 48 2HG GLN 48 5.476 7.954 9.819 354 HE21 GLN 48 1HE2 GLN 48 7.512 8.173 10.387 355 HE22 GLN 48 2HE2 GLN 48 8.547 9.496 9.982 356 H LYS 49 H LYS 49 1.475 10.126 7.105 357 HA LYS 49 HA LYS 49 0.546 8.778 4.872 358 HB2 LYS 49 1HB LYS 49 -0.520 10.786 5.837 359 HB3 LYS 49 2HB LYS 49 0.799 11.772 5.221 360 HG2 LYS 49 1HG LYS 49 0.084 10.700 2.926 361 HG3 LYS 49 2HG LYS 49 -1.453 10.488 3.769 362 HD2 LYS 49 1HD LYS 49 -1.531 12.871 4.260 363 HD3 LYS 49 2HD LYS 49 0.036 13.098 3.478 364 HE2 LYS 49 1HE LYS 49 -0.991 12.210 1.372 365 HE3 LYS 49 2HE LYS 49 -2.552 12.247 2.190 366 HZ1 LYS 49 1HZ LYS 49 -2.277 14.234 0.904 367 HZ2 LYS 49 2HZ LYS 49 -0.791 14.572 1.637 368 HZ3 LYS 49 3HZ LYS 49 -2.217 14.646 2.544 369 H VAL 50 H VAL 50 1.176 8.571 2.783 370 HA VAL 50 HA VAL 50 3.913 9.340 2.157 371 HB VAL 50 HB VAL 50 3.777 7.856 0.286 372 HG11 VAL 50 1HG1 VAL 50 2.290 6.028 1.921 373 HG12 VAL 50 2HG1 VAL 50 4.029 6.101 1.625 374 HG13 VAL 50 3HG1 VAL 50 3.315 7.043 2.935 375 HG21 VAL 50 1HG2 VAL 50 1.740 8.200 -0.744 376 HG22 VAL 50 2HG2 VAL 50 1.513 6.606 -0.025 377 HG23 VAL 50 3HG2 VAL 50 0.831 8.031 0.759 378 H GLU 51 H GLU 51 4.516 10.558 0.357 379 HA GLU 51 HA GLU 51 2.374 12.260 -0.731 380 HB2 GLU 51 1HB GLU 51 3.790 13.727 0.369 381 HB3 GLU 51 2HB GLU 51 5.227 12.792 -0.015 382 HG2 GLU 51 1HG GLU 51 5.334 14.800 -1.263 383 HG3 GLU 51 2HG GLU 51 4.959 13.501 -2.393 384 H GLU 52 H GLU 52 1.813 11.737 -2.732 385 HA GLU 52 HA GLU 52 3.097 10.007 -4.441 386 HB2 GLU 52 1HB GLU 52 1.078 12.162 -4.809 387 HB3 GLU 52 2HB GLU 52 1.842 11.512 -6.253 388 HG2 GLU 52 1HG GLU 52 1.025 9.342 -5.830 389 HG3 GLU 52 2HG GLU 52 0.548 9.762 -4.186 390 H SER 53 H SER 53 4.814 10.093 -5.742 391 HA SER 53 HA SER 53 5.767 12.581 -6.846 392 HB2 SER 53 1HB SER 53 8.129 12.067 -5.875 393 HB3 SER 53 2HB SER 53 6.949 12.888 -4.854 394 HG SER 53 HG SER 53 7.289 10.078 -4.850 395 H GLU 54 H GLU 54 8.138 11.988 -7.833 396 HA GLU 54 HA GLU 54 7.609 10.173 -9.910 397 HB2 GLU 54 1HB GLU 54 9.178 11.716 -10.552 398 HB3 GLU 54 2HB GLU 54 9.979 11.713 -8.987 399 HG2 GLU 54 1HG GLU 54 11.263 9.871 -9.494 400 HG3 GLU 54 2HG GLU 54 10.146 9.302 -10.732 401 H LEU 55 H LEU 55 9.230 9.803 -6.829 402 HA LEU 55 HA LEU 55 10.122 7.113 -7.478 403 HB2 LEU 55 1HB LEU 55 10.335 8.680 -4.912 404 HB3 LEU 55 2HB LEU 55 11.101 7.126 -5.236 405 HG LEU 55 HG LEU 55 11.712 9.607 -6.827 406 HD11 LEU 55 1HD1 LEU 55 13.116 10.368 -5.273 407 HD12 LEU 55 2HD1 LEU 55 13.726 8.754 -4.910 408 HD13 LEU 55 3HD1 LEU 55 12.245 9.329 -4.145 409 HD21 LEU 55 1HD2 LEU 55 13.685 8.392 -7.487 410 HD22 LEU 55 2HD2 LEU 55 12.260 7.410 -7.824 411 HD23 LEU 55 3HD2 LEU 55 13.263 7.054 -6.418 412 H LEU 56 H LEU 56 7.268 8.442 -6.581 413 HA LEU 56 HA LEU 56 6.364 5.922 -5.396 414 HB2 LEU 56 1HB LEU 56 6.825 7.820 -3.690 415 HB3 LEU 56 2HB LEU 56 5.338 8.521 -4.324 416 HG LEU 56 HG LEU 56 5.302 5.702 -3.349 417 HD11 LEU 56 1HD1 LEU 56 5.242 8.141 -1.578 418 HD12 LEU 56 2HD1 LEU 56 6.454 6.860 -1.567 419 HD13 LEU 56 3HD1 LEU 56 4.796 6.509 -1.079 420 HD21 LEU 56 1HD2 LEU 56 3.176 7.635 -2.720 421 HD22 LEU 56 2HD2 LEU 56 3.069 5.982 -3.324 422 HD23 LEU 56 3HD2 LEU 56 3.419 7.306 -4.436 423 H VAL 57 H VAL 57 5.040 5.210 -6.950 424 HA VAL 57 HA VAL 57 3.179 7.106 -8.207 425 HB VAL 57 HB VAL 57 3.699 4.286 -9.125 426 HG11 VAL 57 1HG1 VAL 57 1.686 5.666 -9.892 427 HG12 VAL 57 2HG1 VAL 57 2.857 6.650 -10.772 428 HG13 VAL 57 3HG1 VAL 57 2.695 4.932 -11.138 429 HG21 VAL 57 1HG2 VAL 57 5.065 5.926 -10.865 430 HG22 VAL 57 2HG2 VAL 57 5.451 6.607 -9.285 431 HG23 VAL 57 3HG2 VAL 57 5.788 4.908 -9.620 432 H VAL 58 H VAL 58 1.055 6.998 -7.829 433 HA VAL 58 HA VAL 58 0.017 4.632 -6.409 434 HB VAL 58 HB VAL 58 -0.839 7.508 -6.057 435 HG11 VAL 58 1HG1 VAL 58 -2.446 5.327 -5.823 436 HG12 VAL 58 2HG1 VAL 58 -1.813 5.473 -4.182 437 HG13 VAL 58 3HG1 VAL 58 -2.657 6.831 -4.926 438 HG21 VAL 58 1HG2 VAL 58 0.657 7.638 -4.422 439 HG22 VAL 58 2HG2 VAL 58 -0.028 6.210 -3.647 440 HG23 VAL 58 3HG2 VAL 58 1.246 6.032 -4.853 441 H LYS 59 H LYS 59 -1.234 3.512 -7.747 442 HA LYS 59 HA LYS 59 -2.793 4.923 -9.787 443 HB2 LYS 59 1HB LYS 59 -2.170 1.982 -9.460 444 HB3 LYS 59 2HB LYS 59 -3.122 2.667 -10.770 445 HG2 LYS 59 1HG LYS 59 -0.337 3.626 -10.263 446 HG3 LYS 59 2HG LYS 59 -0.628 2.136 -11.162 447 HD2 LYS 59 1HD LYS 59 -1.713 3.249 -12.895 448 HD3 LYS 59 2HD LYS 59 -2.045 4.670 -11.903 449 HE2 LYS 59 1HE LYS 59 0.277 5.299 -11.941 450 HE3 LYS 59 2HE LYS 59 0.709 3.806 -12.773 451 HZ1 LYS 59 1HZ LYS 59 -0.887 6.064 -13.846 452 HZ2 LYS 59 2HZ LYS 59 -0.739 4.572 -14.630 453 HZ3 LYS 59 3HZ LYS 59 0.630 5.533 -14.376 454 H MET 60 H MET 60 -5.021 4.276 -10.172 455 HA MET 60 HA MET 60 -6.397 2.962 -7.970 456 HB2 MET 60 1HB MET 60 -6.329 5.332 -7.313 457 HB3 MET 60 2HB MET 60 -7.079 5.777 -8.840 458 HG2 MET 60 1HG MET 60 -9.057 4.427 -8.202 459 HG3 MET 60 2HG MET 60 -8.307 4.144 -6.633 460 HE1 MET 60 1HE MET 60 -10.231 6.309 -8.932 461 HE2 MET 60 2HE MET 60 -11.289 5.902 -7.581 462 HE3 MET 60 3HE MET 60 -10.854 7.585 -7.885 463 H ASP 61 H ASP 61 -7.624 1.488 -8.923 464 HA ASP 61 HA ASP 61 -8.866 2.145 -11.512 465 HB2 ASP 61 1HB ASP 61 -7.178 0.134 -11.153 466 HB3 ASP 61 2HB ASP 61 -8.627 -0.677 -10.564 467 H GLY 62 H GLY 62 -10.136 3.093 -9.284 468 HA2 GLY 62 1HA GLY 62 -12.350 3.204 -8.596 469 HA3 GLY 62 2HA GLY 62 -12.663 1.708 -9.464 470 H ARG 63 H ARG 63 -12.288 -0.286 -8.431 471 HA ARG 63 HA ARG 63 -12.359 -0.088 -5.508 472 HB2 ARG 63 1HB ARG 63 -13.271 -2.190 -7.458 473 HB3 ARG 63 2HB ARG 63 -13.092 -2.546 -5.745 474 HG2 ARG 63 1HG ARG 63 -14.688 -0.752 -5.223 475 HG3 ARG 63 2HG ARG 63 -14.893 -0.456 -6.951 476 HD2 ARG 63 1HD ARG 63 -15.466 -3.072 -5.564 477 HD3 ARG 63 2HD ARG 63 -16.682 -1.864 -5.980 478 HE ARG 63 HE ARG 63 -15.072 -2.805 -8.191 479 HH11 ARG 63 2HH1 ARG 63 -17.991 -3.205 -6.336 480 HH12 ARG 63 1HH1 ARG 63 -18.834 -4.039 -7.598 481 HH21 ARG 63 2HH2 ARG 63 -16.172 -3.902 -9.861 482 HH22 ARG 63 1HH2 ARG 63 -17.798 -4.436 -9.603 483 H LYS 64 H LYS 64 -9.902 0.039 -7.197 484 HA LYS 64 HA LYS 64 -8.408 -2.017 -5.750 485 HB2 LYS 64 1HB LYS 64 -8.190 -1.530 -8.726 486 HB3 LYS 64 2HB LYS 64 -7.060 -2.501 -7.792 487 HG2 LYS 64 1HG LYS 64 -9.109 -3.879 -7.107 488 HG3 LYS 64 2HG LYS 64 -9.927 -3.069 -8.445 489 HD2 LYS 64 1HD LYS 64 -8.583 -4.068 -10.042 490 HD3 LYS 64 2HD LYS 64 -7.276 -4.377 -8.896 491 HE2 LYS 64 1HE LYS 64 -8.659 -6.083 -7.801 492 HE3 LYS 64 2HE LYS 64 -9.948 -5.779 -8.964 493 HZ1 LYS 64 1HZ LYS 64 -8.306 -7.719 -9.351 494 HZ2 LYS 64 2HZ LYS 64 -7.265 -6.514 -9.922 495 HZ3 LYS 64 3HZ LYS 64 -8.768 -6.753 -10.661 496 H HIS 65 H HIS 65 -6.745 -1.128 -4.728 497 HA HIS 65 HA HIS 65 -5.531 1.306 -5.858 498 HB2 HIS 65 1HB HIS 65 -6.148 0.721 -2.957 499 HB3 HIS 65 2HB HIS 65 -5.160 2.072 -3.505 500 HD1 HIS 65 1HD HIS 65 -6.394 4.187 -3.827 501 HD2 HIS 65 2HD HIS 65 -8.887 0.880 -4.157 502 HE1 HIS 65 1HE HIS 65 -8.709 5.119 -4.137 503 HE2 HIS 65 2HE HIS 65 -10.211 3.100 -4.249 504 H ARG 66 H ARG 66 -3.535 0.834 -6.482 505 HA ARG 66 HA ARG 66 -1.867 -0.817 -4.707 506 HB2 ARG 66 1HB ARG 66 -0.744 -1.643 -6.843 507 HB3 ARG 66 2HB ARG 66 -2.340 -2.288 -6.486 508 HG2 ARG 66 1HG ARG 66 -3.359 -0.921 -8.129 509 HG3 ARG 66 2HG ARG 66 -1.892 0.037 -8.335 510 HD2 ARG 66 1HD ARG 66 -1.771 -1.355 -10.160 511 HD3 ARG 66 2HD ARG 66 -0.834 -2.265 -8.976 512 HE ARG 66 HE ARG 66 -3.633 -2.940 -9.040 513 HH11 ARG 66 2HH1 ARG 66 -0.483 -3.587 -10.372 514 HH12 ARG 66 1HH1 ARG 66 -0.888 -5.190 -10.891 515 HH21 ARG 66 2HH2 ARG 66 -4.179 -5.048 -9.718 516 HH22 ARG 66 1HH2 ARG 66 -2.991 -6.019 -10.520 517 H LEU 67 H LEU 67 0.240 -0.176 -4.455 518 HA LEU 67 HA LEU 67 0.924 2.427 -5.642 519 HB2 LEU 67 1HB LEU 67 0.760 1.921 -3.061 520 HB3 LEU 67 2HB LEU 67 2.389 1.296 -3.308 521 HG LEU 67 HG LEU 67 1.557 4.099 -4.038 522 HD11 LEU 67 1HD1 LEU 67 1.378 4.361 -1.806 523 HD12 LEU 67 2HD1 LEU 67 3.138 4.421 -1.892 524 HD13 LEU 67 3HD1 LEU 67 2.328 2.919 -1.448 525 HD21 LEU 67 1HD2 LEU 67 4.329 3.658 -3.393 526 HD22 LEU 67 2HD2 LEU 67 3.609 4.321 -4.860 527 HD23 LEU 67 3HD2 LEU 67 3.807 2.576 -4.685 528 H ILE 68 H ILE 68 2.454 2.464 -7.139 529 HA ILE 68 HA ILE 68 4.229 0.149 -7.415 530 HB ILE 68 HB ILE 68 3.380 2.313 -9.316 531 HG12 ILE 68 1HG1 ILE 68 3.522 -0.602 -9.950 532 HG13 ILE 68 2HG1 ILE 68 2.249 -0.044 -8.869 533 HG21 ILE 68 1HG2 ILE 68 5.668 0.390 -9.716 534 HG22 ILE 68 2HG2 ILE 68 4.998 1.464 -10.942 535 HG23 ILE 68 3HG2 ILE 68 5.802 2.137 -9.524 536 HD11 ILE 68 1HD1 ILE 68 1.919 -0.195 -11.486 537 HD12 ILE 68 2HD1 ILE 68 1.150 1.061 -10.515 538 HD13 ILE 68 3HD1 ILE 68 2.624 1.419 -11.415 539 H LEU 69 H LEU 69 6.486 0.434 -7.788 540 HA LEU 69 HA LEU 69 7.607 3.037 -7.057 541 HB2 LEU 69 1HB LEU 69 8.058 0.439 -5.636 542 HB3 LEU 69 2HB LEU 69 9.296 1.694 -5.637 543 HG LEU 69 HG LEU 69 6.492 2.199 -4.670 544 HD11 LEU 69 1HD1 LEU 69 7.639 0.311 -3.439 545 HD12 LEU 69 2HD1 LEU 69 7.137 1.689 -2.461 546 HD13 LEU 69 3HD1 LEU 69 8.830 1.501 -2.914 547 HD21 LEU 69 1HD2 LEU 69 7.369 4.273 -4.811 548 HD22 LEU 69 2HD2 LEU 69 9.034 3.690 -4.786 549 HD23 LEU 69 3HD2 LEU 69 8.124 3.828 -3.280 550 HA PRO 70 HA PRO 70 10.070 1.860 -10.585 551 HB2 PRO 70 1HB PRO 70 11.513 4.158 -10.680 552 HB3 PRO 70 2HB PRO 70 9.851 4.042 -11.273 553 HG2 PRO 70 1HG PRO 70 10.862 5.104 -8.663 554 HG3 PRO 70 2HG PRO 70 9.613 5.767 -9.732 555 HD2 PRO 70 1HD PRO 70 9.019 4.350 -7.503 556 HD3 PRO 70 2HD PRO 70 7.999 4.316 -8.955 557 H GLU 71 H GLU 71 11.444 3.264 -7.629 558 HA GLU 71 HA GLU 71 13.703 1.404 -7.886 559 HB2 GLU 71 1HB GLU 71 14.122 3.944 -8.492 560 HB3 GLU 71 2HB GLU 71 14.195 4.119 -6.745 561 HG2 GLU 71 1HG GLU 71 16.038 2.644 -6.582 562 HG3 GLU 71 2HG GLU 71 15.857 2.126 -8.257 563 H ALA 72 H ALA 72 13.162 0.026 -6.283 564 HA ALA 72 HA ALA 72 12.169 0.992 -3.742 565 HB1 ALA 72 1HB ALA 72 11.254 -1.058 -4.686 566 HB2 ALA 72 2HB ALA 72 12.850 -1.807 -4.637 567 HB3 ALA 72 3HB ALA 72 12.032 -1.374 -3.136 568 H LYS 73 H LYS 73 13.665 1.991 -2.521 569 HA LYS 73 HA LYS 73 16.329 0.797 -2.266 570 HB2 LYS 73 1HB LYS 73 15.251 3.492 -1.421 571 HB3 LYS 73 2HB LYS 73 16.889 2.939 -1.093 572 HG2 LYS 73 1HG LYS 73 17.451 2.933 -3.385 573 HG3 LYS 73 2HG LYS 73 15.763 3.108 -3.873 574 HD2 LYS 73 1HD LYS 73 15.791 5.335 -2.660 575 HD3 LYS 73 2HD LYS 73 17.544 5.153 -2.567 576 HE2 LYS 73 1HE LYS 73 16.084 4.932 -5.178 577 HE3 LYS 73 2HE LYS 73 16.555 6.499 -4.523 578 HZ1 LYS 73 1HZ LYS 73 18.755 4.759 -4.392 579 HZ2 LYS 73 2HZ LYS 73 18.592 6.183 -5.289 580 HZ3 LYS 73 3HZ LYS 73 18.126 4.702 -5.961 581 H VAL 74 H VAL 74 17.298 0.972 -0.003 582 HA VAL 74 HA VAL 74 15.984 -0.723 1.741 583 HB VAL 74 HB VAL 74 18.064 1.357 2.432 584 HG11 VAL 74 1HG1 VAL 74 16.563 -0.408 4.098 585 HG12 VAL 74 2HG1 VAL 74 18.252 -0.920 4.090 586 HG13 VAL 74 3HG1 VAL 74 17.832 0.731 4.549 587 HG21 VAL 74 1HG2 VAL 74 19.683 -0.402 2.133 588 HG22 VAL 74 2HG2 VAL 74 18.407 -1.571 1.792 589 HG23 VAL 74 3HG2 VAL 74 18.720 -0.252 0.663 590 H GLN 75 H GLN 75 15.802 2.762 1.475 591 HA GLN 75 HA GLN 75 14.505 3.227 3.958 592 HB2 GLN 75 1HB GLN 75 14.570 4.866 1.420 593 HB3 GLN 75 2HB GLN 75 13.900 5.427 2.947 594 HG2 GLN 75 1HG GLN 75 16.085 5.203 3.999 595 HG3 GLN 75 2HG GLN 75 16.762 4.619 2.480 596 HE21 GLN 75 1HE2 GLN 75 16.280 6.152 0.585 597 HE22 GLN 75 2HE2 GLN 75 16.571 7.827 0.891 598 H ASP 76 H ASP 76 13.360 2.591 0.685 599 HA ASP 76 HA ASP 76 10.646 3.139 1.065 600 HB2 ASP 76 1HB ASP 76 11.875 1.039 -0.733 601 HB3 ASP 76 2HB ASP 76 10.254 1.709 -0.885 602 H SER 77 H SER 77 12.590 0.493 2.136 603 HA SER 77 HA SER 77 10.639 -1.487 2.466 604 HB2 SER 77 1HB SER 77 12.206 -2.629 3.786 605 HB3 SER 77 2HB SER 77 13.213 -1.632 2.736 606 HG SER 77 HG SER 77 13.944 -0.674 4.445 607 H GLY 78 H GLY 78 8.831 -1.395 3.613 608 HA2 GLY 78 1HA GLY 78 8.744 -0.854 6.365 609 HA3 GLY 78 2HA GLY 78 8.243 0.597 5.509 610 H GLU 79 H GLU 79 6.324 -0.141 6.983 611 HA GLU 79 HA GLU 79 4.637 -2.091 5.596 612 HB2 GLU 79 1HB GLU 79 4.822 -2.379 8.000 613 HB3 GLU 79 2HB GLU 79 4.314 -0.717 8.268 614 HG2 GLU 79 1HG GLU 79 2.129 -1.271 7.241 615 HG3 GLU 79 2HG GLU 79 2.649 -2.952 7.137 616 H PHE 80 H PHE 80 2.988 -1.506 4.342 617 HA PHE 80 HA PHE 80 2.239 1.337 4.286 618 HB2 PHE 80 1HB PHE 80 2.061 -0.809 2.167 619 HB3 PHE 80 2HB PHE 80 1.342 0.788 1.993 620 HD1 PHE 80 1HD PHE 80 4.623 -0.748 2.889 621 HD2 PHE 80 2HD PHE 80 2.554 2.378 0.873 622 HE1 PHE 80 1HE PHE 80 6.764 0.116 2.039 623 HE2 PHE 80 2HE PHE 80 4.692 3.246 0.018 624 HZ PHE 80 HZ PHE 80 6.800 2.114 0.601 625 H GLU 81 H GLU 81 0.001 1.887 3.956 626 HA GLU 81 HA GLU 81 -1.985 -0.173 4.441 627 HB2 GLU 81 1HB GLU 81 -1.461 0.314 6.706 628 HB3 GLU 81 2HB GLU 81 -1.405 2.044 6.398 629 HG2 GLU 81 1HG GLU 81 -3.966 0.658 5.871 630 HG3 GLU 81 2HG GLU 81 -3.478 0.854 7.553 631 H CYS 82 H CYS 82 -3.975 0.341 3.643 632 HA CYS 82 HA CYS 82 -4.182 2.939 2.284 633 HB2 CYS 82 1HB CYS 82 -4.304 1.071 0.755 634 HB3 CYS 82 2HB CYS 82 -5.550 0.301 1.731 635 HG CYS 82 HG CYS 82 -5.876 3.121 -0.171 636 H ARG 83 H ARG 83 -4.897 4.033 4.182 637 HA ARG 83 HA ARG 83 -7.141 3.243 5.695 638 HB2 ARG 83 1HB ARG 83 -5.277 5.071 6.114 639 HB3 ARG 83 2HB ARG 83 -6.463 6.133 5.365 640 HG2 ARG 83 1HG ARG 83 -8.120 5.319 7.063 641 HG3 ARG 83 2HG ARG 83 -6.779 4.505 7.872 642 HD2 ARG 83 1HD ARG 83 -5.661 6.861 7.758 643 HD3 ARG 83 2HD ARG 83 -7.318 7.427 7.556 644 HE ARG 83 HE ARG 83 -7.502 5.842 9.724 645 HH11 ARG 83 2HH1 ARG 83 -5.337 8.433 8.875 646 HH12 ARG 83 1HH1 ARG 83 -5.085 8.934 10.515 647 HH21 ARG 83 2HH2 ARG 83 -7.178 6.492 11.886 648 HH22 ARG 83 1HH2 ARG 83 -6.132 7.829 12.226 649 H THR 84 H THR 84 -9.278 3.538 5.426 650 HA THR 84 HA THR 84 -10.248 5.378 3.379 651 HB THR 84 HB THR 84 -9.961 3.188 2.238 652 HG1 THR 84 1HG THR 84 -12.735 3.584 2.474 653 HG21 THR 84 1HG2 THR 84 -12.049 1.638 3.054 654 HG22 THR 84 2HG2 THR 84 -11.469 2.282 4.590 655 HG23 THR 84 3HG2 THR 84 -10.370 1.392 3.535 656 H GLU 85 H GLU 85 -12.756 5.313 3.379 657 HA GLU 85 HA GLU 85 -13.601 5.894 6.039 658 HB2 GLU 85 1HB GLU 85 -14.389 6.970 3.832 659 HB3 GLU 85 2HB GLU 85 -15.450 5.576 3.689 660 HG2 GLU 85 1HG GLU 85 -15.475 7.132 6.221 661 HG3 GLU 85 2HG GLU 85 -16.265 7.808 4.798 662 H GLY 86 H GLY 86 -12.992 3.621 6.759 663 HA2 GLY 86 1HA GLY 86 -15.177 2.212 7.606 664 HA3 GLY 86 2HA GLY 86 -14.774 1.482 6.059 665 H VAL 87 H VAL 87 -12.334 0.972 5.849 666 HA VAL 87 HA VAL 87 -11.180 0.101 8.391 667 HB VAL 87 HB VAL 87 -10.747 -2.148 7.597 668 HG11 VAL 87 1HG1 VAL 87 -13.654 -1.391 7.330 669 HG12 VAL 87 2HG1 VAL 87 -13.043 -3.025 7.597 670 HG13 VAL 87 3HG1 VAL 87 -12.808 -1.782 8.827 671 HG21 VAL 87 1HG2 VAL 87 -11.007 -2.852 5.481 672 HG22 VAL 87 2HG2 VAL 87 -12.554 -2.027 5.291 673 HG23 VAL 87 3HG2 VAL 87 -11.047 -1.134 5.086 674 H SER 88 H SER 88 -8.995 -1.164 7.719 675 HA SER 88 HA SER 88 -7.661 0.261 5.543 676 HB2 SER 88 1HB SER 88 -6.221 0.114 8.160 677 HB3 SER 88 2HB SER 88 -6.031 1.267 6.839 678 HG SER 88 HG SER 88 -7.355 2.515 7.865 679 H ALA 89 H ALA 89 -5.810 -0.773 4.742 680 HA ALA 89 HA ALA 89 -5.617 -3.601 5.502 681 HB1 ALA 89 1HB ALA 89 -6.047 -3.556 3.240 682 HB2 ALA 89 2HB ALA 89 -5.083 -2.103 2.976 683 HB3 ALA 89 3HB ALA 89 -4.285 -3.650 3.262 684 H PHE 90 H PHE 90 -3.407 -4.585 5.285 685 HA PHE 90 HA PHE 90 -1.263 -2.729 6.038 686 HB2 PHE 90 1HB PHE 90 -2.131 -5.185 7.558 687 HB3 PHE 90 2HB PHE 90 -0.532 -4.475 7.749 688 HD1 PHE 90 2HD PHE 90 -0.269 -2.259 8.754 689 HD2 PHE 90 1HD PHE 90 -4.073 -4.148 8.482 690 HE1 PHE 90 2HE PHE 90 -1.166 -0.682 10.415 691 HE2 PHE 90 1HE PHE 90 -4.977 -2.573 10.142 692 HZ PHE 90 HZ PHE 90 -3.523 -0.839 11.112 693 H PHE 91 H PHE 91 0.478 -3.042 4.829 694 HA PHE 91 HA PHE 91 0.960 -5.727 3.720 695 HB2 PHE 91 1HB PHE 91 1.449 -3.078 2.341 696 HB3 PHE 91 2HB PHE 91 1.839 -4.664 1.683 697 HD1 PHE 91 1HD PHE 91 0.101 -6.137 0.868 698 HD2 PHE 91 2HD PHE 91 -0.831 -2.294 2.444 699 HE1 PHE 91 1HE PHE 91 -2.149 -6.282 -0.116 700 HE2 PHE 91 2HE PHE 91 -3.083 -2.434 1.463 701 HZ PHE 91 HZ PHE 91 -3.745 -4.430 0.181 702 H GLY 92 H GLY 92 2.854 -6.574 4.275 703 HA2 GLY 92 1HA GLY 92 4.871 -4.818 5.477 704 HA3 GLY 92 2HA GLY 92 4.791 -6.565 5.646 705 H VAL 93 H VAL 93 6.448 -4.087 4.226 706 HA VAL 93 HA VAL 93 7.417 -5.812 2.039 707 HB VAL 93 HB VAL 93 7.497 -2.798 2.236 708 HG11 VAL 93 1HG1 VAL 93 8.555 -4.684 0.140 709 HG12 VAL 93 2HG1 VAL 93 8.332 -2.953 -0.120 710 HG13 VAL 93 3HG1 VAL 93 9.467 -3.523 1.104 711 HG21 VAL 93 1HG2 VAL 93 5.616 -2.722 1.030 712 HG22 VAL 93 2HG2 VAL 93 6.150 -4.014 -0.045 713 HG23 VAL 93 3HG2 VAL 93 5.394 -4.408 1.499 714 H THR 94 H THR 94 9.652 -5.945 1.666 715 HA THR 94 HA THR 94 11.443 -4.744 3.634 716 HB THR 94 HB THR 94 11.317 -7.728 3.156 717 HG1 THR 94 1HG THR 94 11.020 -7.536 5.579 718 HG21 THR 94 1HG2 THR 94 13.026 -7.395 5.225 719 HG22 THR 94 2HG2 THR 94 13.397 -5.960 4.270 720 HG23 THR 94 3HG2 THR 94 13.538 -7.561 3.546 721 H VAL 95 H VAL 95 12.963 -3.778 2.470 722 HA VAL 95 HA VAL 95 13.764 -4.952 -0.099 723 HB VAL 95 HB VAL 95 14.464 -2.198 0.907 724 HG11 VAL 95 1HG1 VAL 95 14.161 -2.797 -1.964 725 HG12 VAL 95 2HG1 VAL 95 15.359 -1.807 -1.129 726 HG13 VAL 95 3HG1 VAL 95 15.527 -3.563 -1.155 727 HG21 VAL 95 1HG2 VAL 95 12.060 -2.333 0.885 728 HG22 VAL 95 2HG2 VAL 95 12.592 -1.388 -0.506 729 HG23 VAL 95 3HG2 VAL 95 12.077 -3.061 -0.722 730 H GLN 96 H GLN 96 15.299 -6.450 0.404 731 HA GLN 96 HA GLN 96 17.415 -5.843 2.279 732 HB2 GLN 96 1HB GLN 96 16.756 -8.238 0.579 733 HB3 GLN 96 2HB GLN 96 18.265 -8.129 1.475 734 HG2 GLN 96 1HG GLN 96 16.898 -7.779 3.546 735 HG3 GLN 96 2HG GLN 96 15.472 -8.163 2.583 736 HE21 GLN 96 1HE2 GLN 96 14.870 -10.067 3.412 737 HE22 GLN 96 2HE2 GLN 96 15.859 -11.482 3.458 738 H ASP 97 H ASP 97 19.301 -4.947 1.789 739 HA ASP 97 HA ASP 97 19.912 -4.087 -0.841 740 HB2 ASP 97 1HB ASP 97 22.083 -3.371 0.150 741 HB3 ASP 97 2HB ASP 97 20.684 -2.808 1.061 742 HA PRO 98 HA PRO 98 21.805 -7.779 -2.383 743 HB2 PRO 98 1HB PRO 98 22.888 -6.689 -4.621 744 HB3 PRO 98 2HB PRO 98 21.164 -7.043 -4.463 745 HG2 PRO 98 1HG PRO 98 22.601 -4.438 -4.128 746 HG3 PRO 98 2HG PRO 98 21.068 -4.772 -4.955 747 HD2 PRO 98 1HD PRO 98 21.181 -3.729 -2.458 748 HD3 PRO 98 2HD PRO 98 19.869 -4.803 -2.986 749 H SER 99 H SER 99 23.575 -8.572 -1.440 750 HA SER 99 HA SER 99 26.146 -7.324 -1.946 751 HB2 SER 99 1HB SER 99 25.032 -6.491 0.307 752 HB3 SER 99 2HB SER 99 25.622 -8.039 0.910 753 HG SER 99 HG SER 99 27.261 -6.183 -0.468 754 H GLY 100 H GLY 100 27.107 -9.009 -2.904 755 HA2 GLY 100 1HA GLY 100 28.335 -11.073 -1.811 756 HA3 GLY 100 2HA GLY 100 26.696 -11.705 -1.850 757 HA PRO 101 HA PRO 101 29.056 -12.018 -6.040 758 HB2 PRO 101 1HB PRO 101 30.320 -14.404 -5.759 759 HB3 PRO 101 2HB PRO 101 31.081 -12.860 -5.357 760 HG2 PRO 101 1HG PRO 101 29.787 -14.862 -3.547 761 HG3 PRO 101 2HG PRO 101 31.298 -13.962 -3.321 762 HD2 PRO 101 1HD PRO 101 28.977 -13.237 -2.127 763 HD3 PRO 101 2HD PRO 101 30.204 -12.055 -2.626 764 H SER 102 H SER 102 26.881 -13.679 -4.115 765 HA SER 102 HA SER 102 26.240 -16.013 -5.380 766 HB2 SER 102 1HB SER 102 24.041 -15.805 -4.486 767 HB3 SER 102 2HB SER 102 25.106 -14.971 -3.354 768 HG SER 102 HG SER 102 23.313 -13.877 -5.236 769 H SER 103 H SER 103 26.159 -16.340 -7.506 770 HA SER 103 HA SER 103 25.723 -14.546 -9.522 771 HB2 SER 103 1HB SER 103 25.019 -16.504 -10.916 772 HB3 SER 103 2HB SER 103 26.502 -16.782 -10.003 773 HG SER 103 HG SER 103 25.344 -18.004 -8.537 774 H GLY 104 H GLY 104 24.032 -13.518 -10.417 775 HA2 GLY 104 1HA GLY 104 21.452 -14.238 -10.745 776 HA3 GLY 104 2HA GLY 104 21.473 -13.687 -9.077 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -33.822 -3.874 2.479 2 HA2 GLY 1 1HA GLY 1 -33.561 -3.366 -0.392 3 HA3 GLY 1 2HA GLY 1 -32.080 -3.526 0.541 4 H SER 2 H SER 2 -31.494 -5.353 -0.704 5 HA SER 2 HA SER 2 -32.943 -7.794 0.080 6 HB2 SER 2 1HB SER 2 -31.622 -7.350 -2.607 7 HB3 SER 2 2HB SER 2 -32.559 -8.758 -2.107 8 HG SER 2 HG SER 2 -33.750 -6.224 -1.994 9 H SER 3 H SER 3 -29.887 -6.774 -1.457 10 HA SER 3 HA SER 3 -28.410 -8.995 -0.529 11 HB2 SER 3 1HB SER 3 -26.428 -7.733 -1.253 12 HB3 SER 3 2HB SER 3 -27.706 -7.651 -2.466 13 HG SER 3 HG SER 3 -27.178 -5.656 -0.515 14 H GLY 4 H GLY 4 -28.691 -9.252 1.680 15 HA2 GLY 4 1HA GLY 4 -28.550 -7.335 3.663 16 HA3 GLY 4 2HA GLY 4 -28.083 -9.014 3.883 17 H SER 5 H SER 5 -27.026 -5.944 4.223 18 HA SER 5 HA SER 5 -24.322 -6.744 4.647 19 HB2 SER 5 1HB SER 5 -23.347 -5.092 2.996 20 HB3 SER 5 2HB SER 5 -24.074 -6.528 2.275 21 HG SER 5 HG SER 5 -25.181 -3.924 2.453 22 H SER 6 H SER 6 -22.959 -4.885 5.362 23 HA SER 6 HA SER 6 -24.395 -2.493 6.166 24 HB2 SER 6 1HB SER 6 -23.481 -4.602 8.092 25 HB3 SER 6 2HB SER 6 -23.443 -2.907 8.578 26 HG SER 6 HG SER 6 -25.471 -3.224 9.023 27 H GLY 7 H GLY 7 -23.010 -0.799 6.901 28 HA2 GLY 7 1HA GLY 7 -20.853 0.100 7.393 29 HA3 GLY 7 2HA GLY 7 -20.129 -1.284 6.587 30 HA PRO 8 HA PRO 8 -20.806 2.544 3.746 31 HB2 PRO 8 1HB PRO 8 -18.481 3.893 4.126 32 HB3 PRO 8 2HB PRO 8 -19.947 4.226 5.054 33 HG2 PRO 8 1HG PRO 8 -17.556 2.594 5.814 34 HG3 PRO 8 2HG PRO 8 -18.468 3.762 6.787 35 HD2 PRO 8 1HD PRO 8 -18.815 1.087 7.019 36 HD3 PRO 8 2HD PRO 8 -20.135 2.246 7.272 37 H VAL 9 H VAL 9 -17.634 1.116 4.547 38 HA VAL 9 HA VAL 9 -17.435 -0.185 2.012 39 HB VAL 9 HB VAL 9 -16.862 2.124 1.336 40 HG11 VAL 9 1HG1 VAL 9 -14.838 3.183 2.130 41 HG12 VAL 9 2HG1 VAL 9 -15.901 2.837 3.495 42 HG13 VAL 9 3HG1 VAL 9 -14.500 1.811 3.185 43 HG21 VAL 9 1HG2 VAL 9 -15.670 1.051 -0.201 44 HG22 VAL 9 2HG2 VAL 9 -14.261 1.181 0.852 45 HG23 VAL 9 3HG2 VAL 9 -15.296 -0.245 0.935 46 H HIS 10 H HIS 10 -16.179 -1.930 2.222 47 HA HIS 10 HA HIS 10 -14.184 -1.963 4.387 48 HB2 HIS 10 1HB HIS 10 -14.760 -4.397 4.685 49 HB3 HIS 10 2HB HIS 10 -16.022 -3.274 5.181 50 HD1 HIS 10 1HD HIS 10 -18.048 -2.999 3.436 51 HD2 HIS 10 2HD HIS 10 -15.527 -6.245 2.826 52 HE1 HIS 10 1HE HIS 10 -19.309 -4.552 1.912 53 HE2 HIS 10 2HE HIS 10 -17.799 -6.547 1.626 54 H ILE 11 H ILE 11 -12.521 -3.680 4.100 55 HA ILE 11 HA ILE 11 -11.637 -3.691 1.326 56 HB ILE 11 HB ILE 11 -10.201 -4.618 3.817 57 HG12 ILE 11 1HG1 ILE 11 -9.530 -2.156 2.239 58 HG13 ILE 11 2HG1 ILE 11 -10.808 -2.102 3.448 59 HG21 ILE 11 1HG2 ILE 11 -9.534 -5.638 1.583 60 HG22 ILE 11 2HG2 ILE 11 -8.976 -4.026 1.140 61 HG23 ILE 11 3HG2 ILE 11 -8.257 -4.859 2.518 62 HD11 ILE 11 1HD1 ILE 11 -8.879 -3.234 4.908 63 HD12 ILE 11 2HD1 ILE 11 -7.889 -2.307 3.779 64 HD13 ILE 11 3HD1 ILE 11 -9.096 -1.489 4.772 65 H LEU 12 H LEU 12 -11.377 -5.480 0.078 66 HA LEU 12 HA LEU 12 -12.477 -7.985 1.149 67 HB2 LEU 12 1HB LEU 12 -12.010 -7.582 -1.758 68 HB3 LEU 12 2HB LEU 12 -13.273 -8.495 -0.936 69 HG LEU 12 HG LEU 12 -13.162 -5.485 -1.125 70 HD11 LEU 12 1HD1 LEU 12 -14.006 -7.461 -3.023 71 HD12 LEU 12 2HD1 LEU 12 -13.987 -5.704 -3.170 72 HD13 LEU 12 3HD1 LEU 12 -15.391 -6.515 -2.477 73 HD21 LEU 12 1HD2 LEU 12 -14.450 -7.007 0.737 74 HD22 LEU 12 2HD2 LEU 12 -15.685 -6.837 -0.511 75 HD23 LEU 12 3HD2 LEU 12 -14.958 -5.401 0.212 76 H SER 13 H SER 13 -9.710 -6.580 -0.481 77 HA SER 13 HA SER 13 -8.094 -8.857 0.290 78 HB2 SER 13 1HB SER 13 -8.942 -9.552 -1.910 79 HB3 SER 13 2HB SER 13 -8.344 -8.052 -2.620 80 HG SER 13 HG SER 13 -6.720 -9.416 -2.994 81 HA PRO 14 HA PRO 14 -6.141 -9.465 0.512 82 HB2 PRO 14 1HB PRO 14 -4.605 -9.064 2.713 83 HB3 PRO 14 2HB PRO 14 -3.942 -9.110 1.075 84 HG2 PRO 14 1HG PRO 14 -4.624 -6.743 2.777 85 HG3 PRO 14 2HG PRO 14 -3.201 -7.013 1.753 86 HD2 PRO 14 1HD PRO 14 -5.292 -5.481 0.968 87 HD3 PRO 14 2HD PRO 14 -4.322 -6.433 -0.175 88 H GLN 15 H GLN 15 -6.395 -10.532 2.787 89 HA GLN 15 HA GLN 15 -8.797 -9.359 3.988 90 HB2 GLN 15 1HB GLN 15 -7.684 -12.166 4.101 91 HB3 GLN 15 2HB GLN 15 -9.131 -11.639 4.949 92 HG2 GLN 15 1HG GLN 15 -10.284 -11.246 2.913 93 HG3 GLN 15 2HG GLN 15 -8.811 -11.455 1.968 94 HE21 GLN 15 1HE2 GLN 15 -11.371 -12.843 1.781 95 HE22 GLN 15 2HE2 GLN 15 -11.020 -14.522 1.986 96 H ASP 16 H ASP 16 -5.570 -10.500 4.760 97 HA ASP 16 HA ASP 16 -5.745 -9.119 7.330 98 HB2 ASP 16 1HB ASP 16 -6.249 -11.555 7.698 99 HB3 ASP 16 2HB ASP 16 -4.631 -11.920 7.105 100 H LYS 17 H LYS 17 -3.462 -9.175 8.399 101 HA LYS 17 HA LYS 17 -1.710 -7.681 6.954 102 HB2 LYS 17 1HB LYS 17 -1.476 -8.018 9.354 103 HB3 LYS 17 2HB LYS 17 -1.029 -9.700 9.100 104 HG2 LYS 17 1HG LYS 17 1.015 -8.712 9.446 105 HG3 LYS 17 2HG LYS 17 0.905 -8.699 7.684 106 HD2 LYS 17 1HD LYS 17 0.414 -6.410 7.619 107 HD3 LYS 17 2HD LYS 17 -0.025 -6.365 9.328 108 HE2 LYS 17 1HE LYS 17 2.760 -6.979 8.366 109 HE3 LYS 17 2HE LYS 17 2.208 -5.342 8.714 110 HZ1 LYS 17 1HZ LYS 17 3.091 -7.336 10.512 111 HZ2 LYS 17 2HZ LYS 17 1.507 -6.887 10.900 112 HZ3 LYS 17 3HZ LYS 17 2.723 -5.714 10.822 113 H VAL 18 H VAL 18 0.132 -8.029 5.712 114 HA VAL 18 HA VAL 18 0.502 -10.777 4.712 115 HB VAL 18 HB VAL 18 1.092 -9.776 2.500 116 HG11 VAL 18 1HG1 VAL 18 -1.623 -8.823 2.697 117 HG12 VAL 18 2HG1 VAL 18 -0.991 -10.256 1.883 118 HG13 VAL 18 3HG1 VAL 18 -1.413 -10.327 3.595 119 HG21 VAL 18 1HG2 VAL 18 -0.184 -7.393 2.381 120 HG22 VAL 18 2HG2 VAL 18 0.510 -7.313 4.000 121 HG23 VAL 18 3HG2 VAL 18 1.556 -7.574 2.605 122 H SER 19 H SER 19 2.661 -10.725 3.286 123 HA SER 19 HA SER 19 4.744 -9.122 4.516 124 HB2 SER 19 1HB SER 19 6.096 -11.091 5.155 125 HB3 SER 19 2HB SER 19 4.583 -11.015 6.058 126 HG SER 19 HG SER 19 3.758 -12.491 4.384 127 H LEU 20 H LEU 20 5.969 -8.430 2.906 128 HA LEU 20 HA LEU 20 6.555 -10.260 0.680 129 HB2 LEU 20 1HB LEU 20 6.089 -7.310 0.333 130 HB3 LEU 20 2HB LEU 20 6.283 -8.529 -0.925 131 HG LEU 20 HG LEU 20 3.964 -8.701 0.953 132 HD11 LEU 20 1HD1 LEU 20 3.535 -6.539 0.338 133 HD12 LEU 20 2HD1 LEU 20 2.780 -7.403 -1.001 134 HD13 LEU 20 3HD1 LEU 20 4.380 -6.690 -1.202 135 HD21 LEU 20 1HD2 LEU 20 3.511 -10.414 -0.382 136 HD22 LEU 20 2HD2 LEU 20 4.876 -10.016 -1.425 137 HD23 LEU 20 3HD2 LEU 20 3.300 -9.277 -1.714 138 H THR 21 H THR 21 8.534 -9.799 -0.463 139 HA THR 21 HA THR 21 10.415 -8.030 0.922 140 HB THR 21 HB THR 21 11.137 -10.876 0.209 141 HG1 THR 21 1HG THR 21 11.003 -11.271 2.443 142 HG21 THR 21 1HG2 THR 21 13.172 -9.867 0.279 143 HG22 THR 21 2HG2 THR 21 12.959 -10.087 2.016 144 HG23 THR 21 3HG2 THR 21 12.594 -8.530 1.273 145 H PHE 22 H PHE 22 12.279 -7.463 -0.334 146 HA PHE 22 HA PHE 22 12.448 -8.289 -3.088 147 HB2 PHE 22 1HB PHE 22 11.727 -5.421 -2.450 148 HB3 PHE 22 2HB PHE 22 12.116 -6.055 -4.046 149 HD1 PHE 22 1HD PHE 22 9.616 -5.959 -1.373 150 HD2 PHE 22 2HD PHE 22 10.530 -7.368 -5.284 151 HE1 PHE 22 1HE PHE 22 7.243 -6.506 -1.727 152 HE2 PHE 22 2HE PHE 22 8.159 -7.917 -5.644 153 HZ PHE 22 HZ PHE 22 6.512 -7.486 -3.865 154 H THR 23 H THR 23 14.164 -6.841 -4.238 155 HA THR 23 HA THR 23 16.367 -6.448 -2.324 156 HB THR 23 HB THR 23 16.578 -7.039 -5.281 157 HG1 THR 23 1HG THR 23 16.360 -9.057 -4.712 158 HG21 THR 23 1HG2 THR 23 18.483 -5.795 -4.317 159 HG22 THR 23 2HG2 THR 23 18.931 -7.424 -4.824 160 HG23 THR 23 3HG2 THR 23 18.681 -7.068 -3.115 161 H THR 24 H THR 24 17.627 -4.615 -2.417 162 HA THR 24 HA THR 24 16.509 -2.196 -3.025 163 HB THR 24 HB THR 24 19.457 -2.871 -3.087 164 HG1 THR 24 1HG THR 24 19.190 -1.846 -0.896 165 HG21 THR 24 1HG2 THR 24 19.539 -0.369 -2.357 166 HG22 THR 24 2HG2 THR 24 17.967 -0.276 -3.152 167 HG23 THR 24 3HG2 THR 24 19.390 -0.772 -4.067 168 H SER 25 H SER 25 16.604 -0.734 -4.727 169 HA SER 25 HA SER 25 16.631 -0.033 -6.892 170 HB2 SER 25 1HB SER 25 19.001 -1.844 -6.776 171 HB3 SER 25 2HB SER 25 18.444 -1.304 -8.359 172 HG SER 25 HG SER 25 18.483 0.880 -7.268 173 H GLU 26 H GLU 26 14.654 -1.797 -6.268 174 HA GLU 26 HA GLU 26 14.390 -3.330 -8.765 175 HB2 GLU 26 1HB GLU 26 13.668 -4.214 -5.973 176 HB3 GLU 26 2HB GLU 26 13.027 -4.992 -7.413 177 HG2 GLU 26 1HG GLU 26 15.976 -4.685 -7.056 178 HG3 GLU 26 2HG GLU 26 15.105 -5.983 -6.239 179 H ARG 27 H ARG 27 11.931 -4.071 -8.901 180 HA ARG 27 HA ARG 27 10.360 -1.611 -8.552 181 HB2 ARG 27 1HB ARG 27 10.786 -2.688 -10.870 182 HB3 ARG 27 2HB ARG 27 9.596 -3.881 -10.365 183 HG2 ARG 27 1HG ARG 27 7.895 -2.232 -10.189 184 HG3 ARG 27 2HG ARG 27 9.062 -0.923 -10.387 185 HD2 ARG 27 1HD ARG 27 9.449 -1.503 -12.660 186 HD3 ARG 27 2HD ARG 27 8.559 -3.015 -12.490 187 HE ARG 27 HE ARG 27 7.468 -0.446 -13.051 188 HH11 ARG 27 2HH1 ARG 27 6.819 -3.463 -11.440 189 HH12 ARG 27 1HH1 ARG 27 5.098 -3.316 -11.578 190 HH21 ARG 27 2HH2 ARG 27 5.204 -0.241 -13.239 191 HH22 ARG 27 1HH2 ARG 27 4.180 -1.484 -12.603 192 H VAL 28 H VAL 28 8.953 -1.626 -6.939 193 HA VAL 28 HA VAL 28 7.746 -4.195 -6.141 194 HB VAL 28 HB VAL 28 8.277 -1.740 -4.463 195 HG11 VAL 28 1HG1 VAL 28 7.522 -3.835 -2.800 196 HG12 VAL 28 2HG1 VAL 28 6.569 -2.405 -3.200 197 HG13 VAL 28 3HG1 VAL 28 6.370 -3.888 -4.133 198 HG21 VAL 28 1HG2 VAL 28 9.643 -3.444 -3.152 199 HG22 VAL 28 2HG2 VAL 28 9.496 -4.486 -4.567 200 HG23 VAL 28 3HG2 VAL 28 10.298 -2.921 -4.704 201 H VAL 29 H VAL 29 5.610 -4.407 -6.322 202 HA VAL 29 HA VAL 29 3.948 -1.986 -6.478 203 HB VAL 29 HB VAL 29 3.587 -4.381 -8.282 204 HG11 VAL 29 1HG1 VAL 29 2.139 -2.569 -9.475 205 HG12 VAL 29 2HG1 VAL 29 1.488 -3.444 -8.088 206 HG13 VAL 29 3HG1 VAL 29 2.121 -1.809 -7.884 207 HG21 VAL 29 1HG2 VAL 29 5.478 -3.422 -9.187 208 HG22 VAL 29 2HG2 VAL 29 4.204 -2.550 -10.040 209 HG23 VAL 29 3HG2 VAL 29 5.028 -1.795 -8.676 210 H LEU 30 H LEU 30 2.318 -2.044 -5.084 211 HA LEU 30 HA LEU 30 1.633 -4.576 -3.804 212 HB2 LEU 30 1HB LEU 30 0.820 -1.751 -3.137 213 HB3 LEU 30 2HB LEU 30 0.419 -3.181 -2.188 214 HG LEU 30 HG LEU 30 3.241 -2.242 -2.678 215 HD11 LEU 30 1HD1 LEU 30 2.317 -1.888 0.014 216 HD12 LEU 30 2HD1 LEU 30 1.292 -0.990 -1.104 217 HD13 LEU 30 3HD1 LEU 30 3.033 -0.712 -1.088 218 HD21 LEU 30 1HD2 LEU 30 3.855 -3.773 -0.983 219 HD22 LEU 30 2HD2 LEU 30 2.794 -4.655 -2.082 220 HD23 LEU 30 3HD2 LEU 30 2.173 -4.069 -0.538 221 H THR 31 H THR 31 -0.877 -4.424 -3.053 222 HA THR 31 HA THR 31 -2.636 -3.553 -5.163 223 HB THR 31 HB THR 31 -2.270 -6.514 -4.669 224 HG1 THR 31 1HG THR 31 -0.853 -6.146 -6.222 225 HG21 THR 31 1HG2 THR 31 -3.996 -6.711 -6.497 226 HG22 THR 31 2HG2 THR 31 -4.319 -4.992 -6.273 227 HG23 THR 31 3HG2 THR 31 -4.603 -6.122 -4.950 228 H CYS 32 H CYS 32 -4.747 -3.386 -4.501 229 HA CYS 32 HA CYS 32 -5.597 -4.637 -2.024 230 HB2 CYS 32 1HB CYS 32 -4.495 -2.543 -1.294 231 HB3 CYS 32 2HB CYS 32 -5.588 -1.627 -2.324 232 HG CYS 32 HG CYS 32 -6.160 -3.056 0.672 233 H GLU 33 H GLU 33 -7.900 -4.394 -1.629 234 HA GLU 33 HA GLU 33 -9.447 -3.483 -3.949 235 HB2 GLU 33 1HB GLU 33 -9.046 -5.964 -4.072 236 HB3 GLU 33 2HB GLU 33 -9.946 -6.123 -2.570 237 HG2 GLU 33 1HG GLU 33 -11.947 -5.352 -3.591 238 HG3 GLU 33 2HG GLU 33 -11.087 -4.875 -5.054 239 H LEU 34 H LEU 34 -11.560 -2.822 -3.499 240 HA LEU 34 HA LEU 34 -12.253 -2.646 -0.642 241 HB2 LEU 34 1HB LEU 34 -12.442 -0.523 -2.764 242 HB3 LEU 34 2HB LEU 34 -13.309 -0.425 -1.233 243 HG LEU 34 HG LEU 34 -10.308 -0.626 -1.437 244 HD11 LEU 34 1HD1 LEU 34 -12.109 1.667 -1.776 245 HD12 LEU 34 2HD1 LEU 34 -10.432 1.451 -2.278 246 HD13 LEU 34 3HD1 LEU 34 -10.803 1.907 -0.615 247 HD21 LEU 34 1HD2 LEU 34 -11.924 -1.102 0.693 248 HD22 LEU 34 2HD2 LEU 34 -11.610 0.623 0.878 249 HD23 LEU 34 3HD2 LEU 34 -10.265 -0.516 0.805 250 H SER 35 H SER 35 -14.646 -1.950 -0.411 251 HA SER 35 HA SER 35 -16.205 -3.856 -1.949 252 HB2 SER 35 1HB SER 35 -17.840 -3.684 -0.274 253 HB3 SER 35 2HB SER 35 -16.328 -3.483 0.611 254 HG SER 35 HG SER 35 -18.082 -1.428 -0.259 255 H ARG 36 H ARG 36 -15.701 -0.441 -1.760 256 HA ARG 36 HA ARG 36 -17.931 -0.005 -3.636 257 HB2 ARG 36 1HB ARG 36 -16.623 1.976 -1.762 258 HB3 ARG 36 2HB ARG 36 -17.928 2.340 -2.883 259 HG2 ARG 36 1HG ARG 36 -19.124 0.385 -1.572 260 HG3 ARG 36 2HG ARG 36 -17.987 0.865 -0.311 261 HD2 ARG 36 1HD ARG 36 -19.649 2.907 -1.739 262 HD3 ARG 36 2HD ARG 36 -20.318 1.982 -0.395 263 HE ARG 36 HE ARG 36 -17.789 3.275 0.144 264 HH11 ARG 36 2HH1 ARG 36 -21.261 3.513 0.257 265 HH12 ARG 36 1HH1 ARG 36 -21.268 4.732 1.488 266 HH21 ARG 36 2HH2 ARG 36 -17.785 4.880 1.766 267 HH22 ARG 36 1HH2 ARG 36 -19.290 5.509 2.345 268 H VAL 37 H VAL 37 -17.576 1.194 -5.495 269 HA VAL 37 HA VAL 37 -14.788 1.316 -6.349 270 HB VAL 37 HB VAL 37 -16.847 0.348 -7.697 271 HG11 VAL 37 1HG1 VAL 37 -17.979 2.627 -7.558 272 HG12 VAL 37 2HG1 VAL 37 -16.801 3.158 -8.761 273 HG13 VAL 37 3HG1 VAL 37 -17.926 1.853 -9.142 274 HG21 VAL 37 1HG2 VAL 37 -15.509 0.360 -9.573 275 HG22 VAL 37 2HG2 VAL 37 -14.957 2.013 -9.302 276 HG23 VAL 37 3HG2 VAL 37 -14.331 0.700 -8.304 277 H ASP 38 H ASP 38 -13.980 3.184 -7.509 278 HA ASP 38 HA ASP 38 -13.420 5.395 -7.528 279 HB2 ASP 38 1HB ASP 38 -15.578 5.253 -8.925 280 HB3 ASP 38 2HB ASP 38 -16.375 5.972 -7.529 281 H PHE 39 H PHE 39 -13.327 4.395 -4.996 282 HA PHE 39 HA PHE 39 -14.579 6.466 -3.323 283 HB2 PHE 39 1HB PHE 39 -14.922 3.921 -2.898 284 HB3 PHE 39 2HB PHE 39 -13.294 3.982 -2.231 285 HD1 PHE 39 2HD PHE 39 -16.673 5.475 -1.917 286 HD2 PHE 39 1HD PHE 39 -12.929 4.703 -0.046 287 HE1 PHE 39 2HE PHE 39 -17.588 6.259 0.228 288 HE2 PHE 39 1HE PHE 39 -13.838 5.485 2.103 289 HZ PHE 39 HZ PHE 39 -16.170 6.266 2.242 290 HA PRO 40 HA PRO 40 -10.625 8.310 -2.696 291 HB2 PRO 40 1HB PRO 40 -11.186 9.694 -0.429 292 HB3 PRO 40 2HB PRO 40 -11.779 10.179 -2.022 293 HG2 PRO 40 1HG PRO 40 -13.193 8.682 0.151 294 HG3 PRO 40 2HG PRO 40 -13.795 9.995 -0.877 295 HD2 PRO 40 1HD PRO 40 -14.384 7.394 -1.343 296 HD3 PRO 40 2HD PRO 40 -14.216 8.584 -2.650 297 H ALA 41 H ALA 41 -8.788 8.137 -1.394 298 HA ALA 41 HA ALA 41 -8.854 6.818 1.152 299 HB1 ALA 41 1HB ALA 41 -7.703 5.336 -1.209 300 HB2 ALA 41 2HB ALA 41 -7.492 4.874 0.481 301 HB3 ALA 41 3HB ALA 41 -9.100 4.860 -0.242 302 H THR 42 H THR 42 -6.516 6.319 1.874 303 HA THR 42 HA THR 42 -4.570 8.132 0.656 304 HB THR 42 HB THR 42 -5.181 8.213 3.615 305 HG1 THR 42 1HG THR 42 -5.888 10.425 2.966 306 HG21 THR 42 1HG2 THR 42 -3.684 10.388 2.325 307 HG22 THR 42 2HG2 THR 42 -2.849 8.835 2.359 308 HG23 THR 42 3HG2 THR 42 -3.401 9.573 3.862 309 H TRP 43 H TRP 43 -2.597 7.262 0.581 310 HA TRP 43 HA TRP 43 -2.154 4.705 1.891 311 HB2 TRP 43 1HB TRP 43 -0.681 6.252 -0.231 312 HB3 TRP 43 2HB TRP 43 0.043 4.847 0.547 313 HD1 TRP 43 HD TRP 43 -2.758 5.824 -1.868 314 HE1 TRP 43 1HE TRP 43 -3.577 3.705 -3.079 315 HE3 TRP 43 3HE TRP 43 -0.161 2.313 0.791 316 HZ2 TRP 43 2HZ TRP 43 -3.176 0.915 -2.926 317 HZ3 TRP 43 3HZ TRP 43 -0.435 -0.058 0.196 318 HH2 TRP 43 HH TRP 43 -1.913 -0.741 -1.624 319 H TYR 44 H TYR 44 -1.034 4.454 3.706 320 HA TYR 44 HA TYR 44 0.710 6.662 4.587 321 HB2 TYR 44 1HB TYR 44 -1.077 4.847 6.206 322 HB3 TYR 44 2HB TYR 44 0.179 5.846 6.929 323 HD1 TYR 44 2HD TYR 44 0.040 8.366 6.594 324 HD2 TYR 44 1HD TYR 44 -3.193 5.741 5.725 325 HE1 TYR 44 2HE TYR 44 -1.520 10.265 6.689 326 HE2 TYR 44 1HE TYR 44 -4.762 7.633 5.816 327 HH TYR 44 HH TYR 44 -4.279 10.356 7.225 328 H LYS 45 H LYS 45 2.725 6.179 5.320 329 HA LYS 45 HA LYS 45 3.492 3.336 5.393 330 HB2 LYS 45 1HB LYS 45 4.248 4.537 3.308 331 HB3 LYS 45 2HB LYS 45 5.237 5.564 4.337 332 HG2 LYS 45 1HG LYS 45 6.202 3.303 5.196 333 HG3 LYS 45 2HG LYS 45 5.555 2.673 3.679 334 HD2 LYS 45 1HD LYS 45 6.944 4.045 2.386 335 HD3 LYS 45 2HD LYS 45 7.290 5.123 3.741 336 HE2 LYS 45 1HE LYS 45 8.100 2.249 3.876 337 HE3 LYS 45 2HE LYS 45 9.076 3.392 2.954 338 HZ1 LYS 45 1HZ LYS 45 9.606 4.591 4.843 339 HZ2 LYS 45 2HZ LYS 45 9.639 2.997 5.408 340 HZ3 LYS 45 3HZ LYS 45 8.305 3.984 5.738 341 H ASP 46 H ASP 46 4.614 2.708 7.135 342 HA ASP 46 HA ASP 46 5.487 2.790 9.241 343 HB2 ASP 46 1HB ASP 46 7.374 3.642 7.726 344 HB3 ASP 46 2HB ASP 46 6.968 5.248 8.324 345 H GLY 47 H GLY 47 2.999 4.175 8.887 346 HA2 GLY 47 1HA GLY 47 1.597 5.477 10.160 347 HA3 GLY 47 2HA GLY 47 2.888 5.571 11.349 348 H GLN 48 H GLN 48 3.052 6.662 7.999 349 HA GLN 48 HA GLN 48 2.753 9.437 8.763 350 HB2 GLN 48 1HB GLN 48 5.369 8.454 7.611 351 HB3 GLN 48 2HB GLN 48 4.952 10.126 7.961 352 HG2 GLN 48 1HG GLN 48 4.671 9.404 10.372 353 HG3 GLN 48 2HG GLN 48 5.444 7.891 9.901 354 HE21 GLN 48 1HE2 GLN 48 7.418 7.943 10.717 355 HE22 GLN 48 2HE2 GLN 48 8.545 9.242 10.554 356 H LYS 49 H LYS 49 1.770 10.503 7.177 357 HA LYS 49 HA LYS 49 0.771 9.431 4.893 358 HB2 LYS 49 1HB LYS 49 0.334 11.738 5.907 359 HB3 LYS 49 2HB LYS 49 1.721 12.290 4.977 360 HG2 LYS 49 1HG LYS 49 0.546 11.412 2.927 361 HG3 LYS 49 2HG LYS 49 -0.881 11.200 3.944 362 HD2 LYS 49 1HD LYS 49 -1.213 13.300 3.005 363 HD3 LYS 49 2HD LYS 49 -0.511 13.677 4.580 364 HE2 LYS 49 1HE LYS 49 1.576 14.189 3.651 365 HE3 LYS 49 2HE LYS 49 1.200 13.376 2.133 366 HZ1 LYS 49 1HZ LYS 49 0.250 15.202 1.319 367 HZ2 LYS 49 2HZ LYS 49 1.003 16.040 2.581 368 HZ3 LYS 49 3HZ LYS 49 -0.601 15.527 2.745 369 H VAL 50 H VAL 50 1.398 9.095 2.807 370 HA VAL 50 HA VAL 50 4.250 9.042 2.307 371 HB VAL 50 HB VAL 50 3.691 7.877 0.239 372 HG11 VAL 50 1HG1 VAL 50 2.591 5.901 1.215 373 HG12 VAL 50 2HG1 VAL 50 3.850 6.556 2.264 374 HG13 VAL 50 3HG1 VAL 50 2.150 6.863 2.626 375 HG21 VAL 50 1HG2 VAL 50 0.921 7.417 0.512 376 HG22 VAL 50 2HG2 VAL 50 1.164 9.161 0.611 377 HG23 VAL 50 3HG2 VAL 50 1.759 8.266 -0.787 378 H GLU 51 H GLU 51 5.228 9.951 0.405 379 HA GLU 51 HA GLU 51 3.951 12.477 -0.389 380 HB2 GLU 51 1HB GLU 51 6.205 13.258 -0.948 381 HB3 GLU 51 2HB GLU 51 6.113 12.723 0.724 382 HG2 GLU 51 1HG GLU 51 6.960 10.456 -0.295 383 HG3 GLU 51 2HG GLU 51 7.545 11.512 -1.579 384 H GLU 52 H GLU 52 2.871 12.229 -2.241 385 HA GLU 52 HA GLU 52 3.424 10.291 -4.204 386 HB2 GLU 52 1HB GLU 52 1.695 12.708 -4.033 387 HB3 GLU 52 2HB GLU 52 2.018 12.051 -5.631 388 HG2 GLU 52 1HG GLU 52 0.915 10.074 -5.190 389 HG3 GLU 52 2HG GLU 52 1.084 10.249 -3.444 390 H SER 53 H SER 53 5.085 10.197 -5.548 391 HA SER 53 HA SER 53 5.924 12.503 -7.052 392 HB2 SER 53 1HB SER 53 7.168 12.503 -4.756 393 HB3 SER 53 2HB SER 53 8.106 11.187 -5.462 394 HG SER 53 HG SER 53 9.176 12.630 -6.530 395 H GLU 54 H GLU 54 8.143 11.752 -8.240 396 HA GLU 54 HA GLU 54 7.382 9.729 -10.009 397 HB2 GLU 54 1HB GLU 54 9.585 9.914 -10.959 398 HB3 GLU 54 2HB GLU 54 9.040 11.521 -10.498 399 HG2 GLU 54 1HG GLU 54 10.400 11.427 -8.487 400 HG3 GLU 54 2HG GLU 54 10.922 9.796 -8.904 401 H LEU 55 H LEU 55 9.277 9.617 -7.065 402 HA LEU 55 HA LEU 55 10.150 6.905 -7.462 403 HB2 LEU 55 1HB LEU 55 10.190 8.654 -5.007 404 HB3 LEU 55 2HB LEU 55 10.977 7.083 -5.148 405 HG LEU 55 HG LEU 55 11.676 9.473 -6.848 406 HD11 LEU 55 1HD1 LEU 55 13.148 8.427 -4.437 407 HD12 LEU 55 2HD1 LEU 55 12.105 9.849 -4.425 408 HD13 LEU 55 3HD1 LEU 55 13.561 9.833 -5.420 409 HD21 LEU 55 1HD2 LEU 55 12.868 6.742 -6.460 410 HD22 LEU 55 2HD2 LEU 55 13.790 8.088 -7.130 411 HD23 LEU 55 3HD2 LEU 55 12.343 7.511 -7.958 412 H LEU 56 H LEU 56 7.299 8.382 -6.391 413 HA LEU 56 HA LEU 56 6.354 5.814 -5.316 414 HB2 LEU 56 1HB LEU 56 6.828 7.613 -3.565 415 HB3 LEU 56 2HB LEU 56 5.437 8.461 -4.235 416 HG LEU 56 HG LEU 56 5.081 5.640 -3.350 417 HD11 LEU 56 1HD1 LEU 56 6.245 6.450 -1.461 418 HD12 LEU 56 2HD1 LEU 56 4.531 6.551 -1.060 419 HD13 LEU 56 3HD1 LEU 56 5.415 8.005 -1.523 420 HD21 LEU 56 1HD2 LEU 56 3.207 7.862 -2.757 421 HD22 LEU 56 2HD2 LEU 56 2.878 6.195 -3.234 422 HD23 LEU 56 3HD2 LEU 56 3.392 7.374 -4.442 423 H VAL 57 H VAL 57 4.995 5.107 -6.835 424 HA VAL 57 HA VAL 57 3.176 7.020 -8.123 425 HB VAL 57 HB VAL 57 3.640 4.162 -8.959 426 HG11 VAL 57 1HG1 VAL 57 2.359 4.607 -10.764 427 HG12 VAL 57 2HG1 VAL 57 1.682 5.850 -9.711 428 HG13 VAL 57 3HG1 VAL 57 2.924 6.273 -10.890 429 HG21 VAL 57 1HG2 VAL 57 4.959 5.784 -10.776 430 HG22 VAL 57 2HG2 VAL 57 5.407 6.449 -9.205 431 HG23 VAL 57 3HG2 VAL 57 5.707 4.748 -9.560 432 H VAL 58 H VAL 58 1.074 7.025 -7.657 433 HA VAL 58 HA VAL 58 -0.021 4.741 -6.148 434 HB VAL 58 HB VAL 58 -1.044 7.576 -6.034 435 HG11 VAL 58 1HG1 VAL 58 -2.507 5.550 -5.437 436 HG12 VAL 58 2HG1 VAL 58 -1.475 5.402 -4.014 437 HG13 VAL 58 3HG1 VAL 58 -2.409 6.875 -4.278 438 HG21 VAL 58 1HG2 VAL 58 0.568 8.133 -4.611 439 HG22 VAL 58 2HG2 VAL 58 0.220 6.726 -3.608 440 HG23 VAL 58 3HG2 VAL 58 1.359 6.593 -4.948 441 H LYS 59 H LYS 59 -1.058 3.541 -7.639 442 HA LYS 59 HA LYS 59 -2.781 4.885 -9.595 443 HB2 LYS 59 1HB LYS 59 -1.920 1.989 -9.457 444 HB3 LYS 59 2HB LYS 59 -2.837 2.733 -10.761 445 HG2 LYS 59 1HG LYS 59 -0.208 3.919 -10.064 446 HG3 LYS 59 2HG LYS 59 -0.226 2.370 -10.911 447 HD2 LYS 59 1HD LYS 59 -1.932 3.580 -12.480 448 HD3 LYS 59 2HD LYS 59 -1.203 5.046 -11.818 449 HE2 LYS 59 1HE LYS 59 0.604 2.898 -12.797 450 HE3 LYS 59 2HE LYS 59 -0.257 3.865 -13.994 451 HZ1 LYS 59 1HZ LYS 59 2.084 4.547 -12.835 452 HZ2 LYS 59 2HZ LYS 59 0.972 5.423 -11.909 453 HZ3 LYS 59 3HZ LYS 59 1.024 5.630 -13.587 454 H MET 60 H MET 60 -4.962 4.347 -9.833 455 HA MET 60 HA MET 60 -6.163 2.581 -7.842 456 HB2 MET 60 1HB MET 60 -6.303 4.672 -6.707 457 HB3 MET 60 2HB MET 60 -6.820 5.506 -8.166 458 HG2 MET 60 1HG MET 60 -8.519 3.302 -7.135 459 HG3 MET 60 2HG MET 60 -8.516 4.836 -6.266 460 HE1 MET 60 1HE MET 60 -10.300 7.264 -8.117 461 HE2 MET 60 2HE MET 60 -11.184 6.102 -7.129 462 HE3 MET 60 3HE MET 60 -9.570 6.623 -6.646 463 H ASP 61 H ASP 61 -7.823 1.432 -8.637 464 HA ASP 61 HA ASP 61 -9.017 2.310 -11.183 465 HB2 ASP 61 1HB ASP 61 -7.810 -0.308 -10.439 466 HB3 ASP 61 2HB ASP 61 -9.253 -0.336 -11.450 467 H GLY 62 H GLY 62 -10.723 3.217 -9.884 468 HA2 GLY 62 1HA GLY 62 -12.855 3.161 -9.036 469 HA3 GLY 62 2HA GLY 62 -12.952 1.510 -9.630 470 H ARG 63 H ARG 63 -12.226 -0.209 -8.258 471 HA ARG 63 HA ARG 63 -12.200 0.529 -5.405 472 HB2 ARG 63 1HB ARG 63 -13.238 -1.770 -5.052 473 HB3 ARG 63 2HB ARG 63 -14.273 -0.540 -5.765 474 HG2 ARG 63 1HG ARG 63 -14.348 -1.577 -7.794 475 HG3 ARG 63 2HG ARG 63 -12.763 -2.326 -7.593 476 HD2 ARG 63 1HD ARG 63 -14.034 -3.595 -5.641 477 HD3 ARG 63 2HD ARG 63 -15.431 -3.227 -6.651 478 HE ARG 63 HE ARG 63 -13.225 -4.422 -8.067 479 HH11 ARG 63 2HH1 ARG 63 -16.128 -5.001 -6.236 480 HH12 ARG 63 1HH1 ARG 63 -16.394 -6.575 -6.909 481 HH21 ARG 63 2HH2 ARG 63 -13.564 -6.493 -8.960 482 HH22 ARG 63 1HH2 ARG 63 -14.934 -7.424 -8.457 483 H LYS 64 H LYS 64 -9.897 0.240 -7.100 484 HA LYS 64 HA LYS 64 -8.555 -1.912 -5.637 485 HB2 LYS 64 1HB LYS 64 -8.563 -1.537 -8.625 486 HB3 LYS 64 2HB LYS 64 -7.262 -2.389 -7.805 487 HG2 LYS 64 1HG LYS 64 -8.968 -3.937 -6.855 488 HG3 LYS 64 2HG LYS 64 -10.174 -3.142 -7.870 489 HD2 LYS 64 1HD LYS 64 -9.340 -4.038 -9.800 490 HD3 LYS 64 2HD LYS 64 -7.692 -4.129 -9.173 491 HE2 LYS 64 1HE LYS 64 -9.778 -5.850 -7.932 492 HE3 LYS 64 2HE LYS 64 -9.169 -6.294 -9.525 493 HZ1 LYS 64 1HZ LYS 64 -7.929 -6.586 -6.984 494 HZ2 LYS 64 2HZ LYS 64 -6.939 -5.705 -8.034 495 HZ3 LYS 64 3HZ LYS 64 -7.480 -7.245 -8.476 496 H HIS 65 H HIS 65 -7.036 -0.918 -4.494 497 HA HIS 65 HA HIS 65 -5.590 1.333 -5.724 498 HB2 HIS 65 1HB HIS 65 -6.052 0.697 -2.804 499 HB3 HIS 65 2HB HIS 65 -5.054 2.022 -3.392 500 HD1 HIS 65 1HD HIS 65 -6.220 4.190 -3.655 501 HD2 HIS 65 2HD HIS 65 -8.866 0.988 -3.719 502 HE1 HIS 65 1HE HIS 65 -8.513 5.216 -3.755 503 HE2 HIS 65 2HE HIS 65 -10.101 3.261 -3.707 504 H ARG 66 H ARG 66 -3.505 1.070 -6.176 505 HA ARG 66 HA ARG 66 -1.958 -0.929 -4.688 506 HB2 ARG 66 1HB ARG 66 -0.861 -1.511 -6.935 507 HB3 ARG 66 2HB ARG 66 -2.458 -2.171 -6.611 508 HG2 ARG 66 1HG ARG 66 -3.470 -0.877 -8.193 509 HG3 ARG 66 2HG ARG 66 -2.277 0.417 -8.056 510 HD2 ARG 66 1HD ARG 66 -0.673 -0.823 -9.301 511 HD3 ARG 66 2HD ARG 66 -1.656 -2.284 -9.230 512 HE ARG 66 HE ARG 66 -3.023 -0.142 -10.521 513 HH11 ARG 66 2HH1 ARG 66 -0.612 -2.609 -10.987 514 HH12 ARG 66 1HH1 ARG 66 -0.864 -2.716 -12.698 515 HH21 ARG 66 2HH2 ARG 66 -3.365 -0.273 -12.773 516 HH22 ARG 66 1HH2 ARG 66 -2.430 -1.386 -13.713 517 H LEU 67 H LEU 67 0.216 -0.465 -4.444 518 HA LEU 67 HA LEU 67 1.016 2.237 -5.297 519 HB2 LEU 67 1HB LEU 67 0.809 1.455 -2.786 520 HB3 LEU 67 2HB LEU 67 2.411 0.790 -3.101 521 HG LEU 67 HG LEU 67 2.630 2.941 -2.047 522 HD11 LEU 67 1HD1 LEU 67 4.375 2.544 -3.562 523 HD12 LEU 67 2HD1 LEU 67 3.832 4.183 -3.915 524 HD13 LEU 67 3HD1 LEU 67 3.347 2.849 -4.962 525 HD21 LEU 67 1HD2 LEU 67 1.114 4.527 -2.368 526 HD22 LEU 67 2HD2 LEU 67 0.390 3.605 -3.687 527 HD23 LEU 67 3HD2 LEU 67 1.703 4.736 -4.018 528 H ILE 68 H ILE 68 2.446 2.277 -6.888 529 HA ILE 68 HA ILE 68 4.216 -0.029 -7.282 530 HB ILE 68 HB ILE 68 3.309 2.170 -9.121 531 HG12 ILE 68 1HG1 ILE 68 3.311 -0.810 -9.573 532 HG13 ILE 68 2HG1 ILE 68 1.997 0.000 -8.726 533 HG21 ILE 68 1HG2 ILE 68 4.836 1.325 -10.818 534 HG22 ILE 68 2HG2 ILE 68 5.726 1.905 -9.411 535 HG23 ILE 68 3HG2 ILE 68 5.504 0.174 -9.661 536 HD11 ILE 68 1HD1 ILE 68 2.832 0.983 -11.410 537 HD12 ILE 68 2HD1 ILE 68 1.833 -0.464 -11.277 538 HD13 ILE 68 3HD1 ILE 68 1.259 1.067 -10.617 539 H LEU 69 H LEU 69 6.450 0.243 -7.631 540 HA LEU 69 HA LEU 69 7.578 2.862 -6.955 541 HB2 LEU 69 1HB LEU 69 8.205 0.248 -5.606 542 HB3 LEU 69 2HB LEU 69 9.278 1.645 -5.530 543 HG LEU 69 HG LEU 69 6.424 1.794 -4.603 544 HD11 LEU 69 1HD1 LEU 69 8.792 1.150 -2.862 545 HD12 LEU 69 2HD1 LEU 69 7.644 -0.056 -3.440 546 HD13 LEU 69 3HD1 LEU 69 7.096 1.248 -2.388 547 HD21 LEU 69 1HD2 LEU 69 8.143 3.407 -3.098 548 HD22 LEU 69 2HD2 LEU 69 6.983 3.924 -4.323 549 HD23 LEU 69 3HD2 LEU 69 8.657 3.597 -4.775 550 HA PRO 70 HA PRO 70 9.944 1.698 -10.554 551 HB2 PRO 70 1HB PRO 70 11.353 4.013 -10.704 552 HB3 PRO 70 2HB PRO 70 9.677 3.872 -11.247 553 HG2 PRO 70 1HG PRO 70 10.749 4.961 -8.672 554 HG3 PRO 70 2HG PRO 70 9.461 5.603 -9.708 555 HD2 PRO 70 1HD PRO 70 8.951 4.189 -7.456 556 HD3 PRO 70 2HD PRO 70 7.890 4.135 -8.878 557 H GLU 71 H GLU 71 11.388 3.139 -7.650 558 HA GLU 71 HA GLU 71 13.655 1.298 -7.953 559 HB2 GLU 71 1HB GLU 71 14.047 3.818 -8.625 560 HB3 GLU 71 2HB GLU 71 14.150 4.045 -6.885 561 HG2 GLU 71 1HG GLU 71 16.041 2.692 -6.699 562 HG3 GLU 71 2HG GLU 71 15.786 1.964 -8.284 563 H ALA 72 H ALA 72 12.929 -0.046 -6.337 564 HA ALA 72 HA ALA 72 12.075 0.944 -3.785 565 HB1 ALA 72 1HB ALA 72 12.130 -1.469 -3.137 566 HB2 ALA 72 2HB ALA 72 11.135 -1.112 -4.550 567 HB3 ALA 72 3HB ALA 72 12.732 -1.831 -4.755 568 H LYS 73 H LYS 73 13.603 2.041 -2.672 569 HA LYS 73 HA LYS 73 16.289 0.914 -2.429 570 HB2 LYS 73 1HB LYS 73 15.145 3.570 -1.550 571 HB3 LYS 73 2HB LYS 73 16.813 3.074 -1.292 572 HG2 LYS 73 1HG LYS 73 16.936 2.775 -3.822 573 HG3 LYS 73 2HG LYS 73 15.422 3.681 -3.878 574 HD2 LYS 73 1HD LYS 73 16.579 5.480 -2.547 575 HD3 LYS 73 2HD LYS 73 18.086 4.601 -2.811 576 HE2 LYS 73 1HE LYS 73 17.878 4.858 -5.193 577 HE3 LYS 73 2HE LYS 73 16.275 5.570 -5.019 578 HZ1 LYS 73 1HZ LYS 73 17.764 7.188 -3.487 579 HZ2 LYS 73 2HZ LYS 73 17.395 7.489 -5.109 580 HZ3 LYS 73 3HZ LYS 73 18.877 6.785 -4.695 581 H VAL 74 H VAL 74 17.307 1.048 -0.216 582 HA VAL 74 HA VAL 74 16.012 -0.631 1.573 583 HB VAL 74 HB VAL 74 18.231 1.346 2.103 584 HG11 VAL 74 1HG1 VAL 74 16.802 -0.512 3.883 585 HG12 VAL 74 2HG1 VAL 74 18.564 -0.577 3.970 586 HG13 VAL 74 3HG1 VAL 74 17.721 0.944 4.261 587 HG21 VAL 74 1HG2 VAL 74 18.310 -1.629 1.610 588 HG22 VAL 74 2HG2 VAL 74 18.723 -0.389 0.426 589 HG23 VAL 74 3HG2 VAL 74 19.698 -0.575 1.884 590 H GLN 75 H GLN 75 15.728 2.786 1.161 591 HA GLN 75 HA GLN 75 14.630 3.317 3.760 592 HB2 GLN 75 1HB GLN 75 14.766 4.931 1.216 593 HB3 GLN 75 2HB GLN 75 13.991 5.524 2.679 594 HG2 GLN 75 1HG GLN 75 16.167 5.153 3.866 595 HG3 GLN 75 2HG GLN 75 16.887 4.827 2.291 596 HE21 GLN 75 1HE2 GLN 75 17.812 6.490 1.349 597 HE22 GLN 75 2HE2 GLN 75 17.433 8.155 1.611 598 H ASP 76 H ASP 76 13.404 2.332 0.670 599 HA ASP 76 HA ASP 76 10.691 3.082 1.096 600 HB2 ASP 76 1HB ASP 76 11.909 1.027 -0.760 601 HB3 ASP 76 2HB ASP 76 10.223 1.534 -0.800 602 H SER 77 H SER 77 12.644 0.433 2.125 603 HA SER 77 HA SER 77 10.733 -1.555 2.523 604 HB2 SER 77 1HB SER 77 12.308 -2.622 3.911 605 HB3 SER 77 2HB SER 77 13.294 -1.671 2.801 606 HG SER 77 HG SER 77 13.959 -0.493 4.414 607 H GLY 78 H GLY 78 8.819 -1.102 3.450 608 HA2 GLY 78 1HA GLY 78 8.723 -0.624 6.266 609 HA3 GLY 78 2HA GLY 78 8.223 0.793 5.355 610 H GLU 79 H GLU 79 6.313 0.017 6.872 611 HA GLU 79 HA GLU 79 4.646 -1.932 5.456 612 HB2 GLU 79 1HB GLU 79 4.910 -2.216 7.887 613 HB3 GLU 79 2HB GLU 79 4.239 -0.611 8.146 614 HG2 GLU 79 1HG GLU 79 2.162 -1.451 6.955 615 HG3 GLU 79 2HG GLU 79 2.848 -3.065 7.127 616 H PHE 80 H PHE 80 2.869 -1.377 4.343 617 HA PHE 80 HA PHE 80 2.162 1.477 4.270 618 HB2 PHE 80 1HB PHE 80 1.935 -0.716 2.216 619 HB3 PHE 80 2HB PHE 80 1.055 0.801 2.056 620 HD1 PHE 80 1HD PHE 80 4.487 -0.552 2.520 621 HD2 PHE 80 2HD PHE 80 2.064 2.622 1.045 622 HE1 PHE 80 1HE PHE 80 6.471 0.484 1.498 623 HE2 PHE 80 2HE PHE 80 4.044 3.662 0.020 624 HZ PHE 80 HZ PHE 80 6.251 2.593 0.245 625 H GLU 81 H GLU 81 -0.063 2.077 4.134 626 HA GLU 81 HA GLU 81 -2.054 0.053 4.765 627 HB2 GLU 81 1HB GLU 81 -1.306 0.624 6.976 628 HB3 GLU 81 2HB GLU 81 -1.385 2.343 6.615 629 HG2 GLU 81 1HG GLU 81 -3.921 1.766 6.156 630 HG3 GLU 81 2HG GLU 81 -3.562 0.433 7.252 631 H CYS 82 H CYS 82 -3.918 0.480 3.769 632 HA CYS 82 HA CYS 82 -4.236 3.106 2.514 633 HB2 CYS 82 1HB CYS 82 -4.371 1.228 0.992 634 HB3 CYS 82 2HB CYS 82 -5.599 0.459 1.990 635 HG CYS 82 HG CYS 82 -6.039 3.406 0.304 636 H ARG 83 H ARG 83 -4.912 4.181 4.443 637 HA ARG 83 HA ARG 83 -7.116 3.369 6.000 638 HB2 ARG 83 1HB ARG 83 -5.354 5.082 6.615 639 HB3 ARG 83 2HB ARG 83 -6.208 6.215 5.575 640 HG2 ARG 83 1HG ARG 83 -8.255 5.771 6.984 641 HG3 ARG 83 2HG ARG 83 -7.186 4.927 8.106 642 HD2 ARG 83 1HD ARG 83 -6.557 7.712 7.204 643 HD3 ARG 83 2HD ARG 83 -7.722 7.433 8.498 644 HE ARG 83 HE ARG 83 -5.387 5.994 9.068 645 HH11 ARG 83 2HH1 ARG 83 -6.503 9.284 8.848 646 HH12 ARG 83 1HH1 ARG 83 -5.370 9.884 10.014 647 HH21 ARG 83 2HH2 ARG 83 -3.891 6.771 10.605 648 HH22 ARG 83 1HH2 ARG 83 -3.884 8.454 11.012 649 H THR 84 H THR 84 -9.253 3.575 5.731 650 HA THR 84 HA THR 84 -10.291 5.433 3.725 651 HB THR 84 HB THR 84 -9.992 3.220 2.603 652 HG1 THR 84 1HG THR 84 -12.761 3.598 2.795 653 HG21 THR 84 1HG2 THR 84 -12.043 1.658 3.379 654 HG22 THR 84 2HG2 THR 84 -11.597 2.365 4.932 655 HG23 THR 84 3HG2 THR 84 -10.400 1.475 3.992 656 H GLU 85 H GLU 85 -12.816 5.278 3.767 657 HA GLU 85 HA GLU 85 -13.613 5.902 6.433 658 HB2 GLU 85 1HB GLU 85 -14.905 5.896 3.754 659 HB3 GLU 85 2HB GLU 85 -15.961 5.840 5.159 660 HG2 GLU 85 1HG GLU 85 -14.793 7.868 6.023 661 HG3 GLU 85 2HG GLU 85 -13.937 7.958 4.484 662 H GLY 86 H GLY 86 -12.987 3.742 7.307 663 HA2 GLY 86 1HA GLY 86 -15.044 2.270 8.241 664 HA3 GLY 86 2HA GLY 86 -14.734 1.521 6.681 665 H VAL 87 H VAL 87 -12.323 1.013 6.313 666 HA VAL 87 HA VAL 87 -10.990 0.199 8.789 667 HB VAL 87 HB VAL 87 -10.513 -2.047 7.848 668 HG11 VAL 87 1HG1 VAL 87 -13.399 -2.209 7.848 669 HG12 VAL 87 2HG1 VAL 87 -12.237 -2.807 9.034 670 HG13 VAL 87 3HG1 VAL 87 -12.812 -1.142 9.124 671 HG21 VAL 87 1HG2 VAL 87 -11.257 -1.067 5.469 672 HG22 VAL 87 2HG2 VAL 87 -11.288 -2.789 5.851 673 HG23 VAL 87 3HG2 VAL 87 -12.770 -1.837 5.948 674 H SER 88 H SER 88 -8.835 -1.046 7.990 675 HA SER 88 HA SER 88 -7.659 0.386 5.727 676 HB2 SER 88 1HB SER 88 -6.035 0.250 8.231 677 HB3 SER 88 2HB SER 88 -5.973 1.422 6.914 678 HG SER 88 HG SER 88 -6.931 2.490 8.558 679 H ALA 89 H ALA 89 -5.742 -0.583 4.898 680 HA ALA 89 HA ALA 89 -5.545 -3.436 5.564 681 HB1 ALA 89 1HB ALA 89 -6.075 -3.137 3.280 682 HB2 ALA 89 2HB ALA 89 -4.841 -1.893 3.080 683 HB3 ALA 89 3HB ALA 89 -4.367 -3.573 3.333 684 H PHE 90 H PHE 90 -3.271 -4.356 5.091 685 HA PHE 90 HA PHE 90 -1.147 -2.537 5.944 686 HB2 PHE 90 1HB PHE 90 -1.923 -5.078 7.381 687 HB3 PHE 90 2HB PHE 90 -0.366 -4.284 7.598 688 HD1 PHE 90 1HD PHE 90 -4.022 -3.763 7.923 689 HD2 PHE 90 2HD PHE 90 -0.126 -2.522 9.106 690 HE1 PHE 90 1HE PHE 90 -5.011 -2.305 9.641 691 HE2 PHE 90 2HE PHE 90 -1.109 -1.064 10.826 692 HZ PHE 90 HZ PHE 90 -3.554 -0.955 11.096 693 H PHE 91 H PHE 91 0.595 -2.811 4.724 694 HA PHE 91 HA PHE 91 1.077 -5.455 3.523 695 HB2 PHE 91 1HB PHE 91 1.430 -2.768 2.178 696 HB3 PHE 91 2HB PHE 91 1.886 -4.320 1.482 697 HD1 PHE 91 1HD PHE 91 0.165 -5.924 0.793 698 HD2 PHE 91 2HD PHE 91 -0.842 -2.044 2.225 699 HE1 PHE 91 1HE PHE 91 -2.095 -6.168 -0.146 700 HE2 PHE 91 2HE PHE 91 -3.104 -2.282 1.289 701 HZ PHE 91 HZ PHE 91 -3.734 -4.346 0.102 702 H GLY 92 H GLY 92 2.910 -6.256 4.297 703 HA2 GLY 92 1HA GLY 92 4.968 -4.451 5.312 704 HA3 GLY 92 2HA GLY 92 4.901 -6.192 5.546 705 H VAL 93 H VAL 93 6.492 -3.746 3.981 706 HA VAL 93 HA VAL 93 7.484 -5.582 1.897 707 HB VAL 93 HB VAL 93 7.438 -2.562 1.813 708 HG11 VAL 93 1HG1 VAL 93 8.566 -2.625 -0.173 709 HG12 VAL 93 2HG1 VAL 93 9.296 -4.018 0.627 710 HG13 VAL 93 3HG1 VAL 93 8.015 -4.254 -0.562 711 HG21 VAL 93 1HG2 VAL 93 5.810 -4.579 0.270 712 HG22 VAL 93 2HG2 VAL 93 5.210 -3.533 1.556 713 HG23 VAL 93 3HG2 VAL 93 5.776 -2.831 0.041 714 H THR 94 H THR 94 9.590 -6.069 1.904 715 HA THR 94 HA THR 94 11.394 -4.446 3.575 716 HB THR 94 HB THR 94 11.374 -7.462 3.352 717 HG1 THR 94 1HG THR 94 9.802 -6.394 4.786 718 HG21 THR 94 1HG2 THR 94 13.649 -6.772 3.498 719 HG22 THR 94 2HG2 THR 94 13.169 -7.282 5.117 720 HG23 THR 94 3HG2 THR 94 13.271 -5.566 4.727 721 H VAL 95 H VAL 95 13.030 -3.629 2.459 722 HA VAL 95 HA VAL 95 13.777 -4.892 -0.088 723 HB VAL 95 HB VAL 95 14.463 -2.107 0.855 724 HG11 VAL 95 1HG1 VAL 95 15.041 -3.697 -1.564 725 HG12 VAL 95 2HG1 VAL 95 14.578 -2.014 -1.825 726 HG13 VAL 95 3HG1 VAL 95 15.967 -2.401 -0.808 727 HG21 VAL 95 1HG2 VAL 95 12.704 -1.610 -1.048 728 HG22 VAL 95 2HG2 VAL 95 12.080 -3.186 -0.563 729 HG23 VAL 95 3HG2 VAL 95 12.198 -1.883 0.620 730 H GLN 96 H GLN 96 15.302 -6.386 0.410 731 HA GLN 96 HA GLN 96 17.443 -5.749 2.262 732 HB2 GLN 96 1HB GLN 96 16.847 -8.231 0.646 733 HB3 GLN 96 2HB GLN 96 18.201 -8.078 1.759 734 HG2 GLN 96 1HG GLN 96 16.626 -7.700 3.601 735 HG3 GLN 96 2HG GLN 96 15.283 -7.904 2.477 736 HE21 GLN 96 1HE2 GLN 96 15.511 -9.468 4.716 737 HE22 GLN 96 2HE2 GLN 96 15.873 -11.092 4.254 738 H ASP 97 H ASP 97 19.349 -4.945 1.694 739 HA ASP 97 HA ASP 97 19.945 -4.272 -0.996 740 HB2 ASP 97 1HB ASP 97 22.046 -3.412 -0.129 741 HB3 ASP 97 2HB ASP 97 20.731 -2.958 0.952 742 HA PRO 98 HA PRO 98 21.764 -8.077 -2.323 743 HB2 PRO 98 1HB PRO 98 22.934 -7.135 -4.585 744 HB3 PRO 98 2HB PRO 98 21.194 -7.418 -4.449 745 HG2 PRO 98 1HG PRO 98 22.721 -4.855 -4.205 746 HG3 PRO 98 2HG PRO 98 21.194 -5.172 -5.049 747 HD2 PRO 98 1HD PRO 98 21.294 -4.015 -2.603 748 HD3 PRO 98 2HD PRO 98 19.954 -5.064 -3.109 749 H SER 99 H SER 99 23.736 -9.096 -2.254 750 HA SER 99 HA SER 99 26.028 -7.422 -1.462 751 HB2 SER 99 1HB SER 99 25.359 -10.274 -0.702 752 HB3 SER 99 2HB SER 99 26.867 -9.461 -0.283 753 HG SER 99 HG SER 99 24.335 -8.403 0.403 754 H GLY 100 H GLY 100 25.094 -10.349 -3.240 755 HA2 GLY 100 1HA GLY 100 27.585 -11.012 -4.300 756 HA3 GLY 100 2HA GLY 100 26.043 -11.380 -5.058 757 HA PRO 101 HA PRO 101 28.520 -7.813 -7.172 758 HB2 PRO 101 1HB PRO 101 30.224 -9.184 -8.780 759 HB3 PRO 101 2HB PRO 101 30.665 -8.638 -7.158 760 HG2 PRO 101 1HG PRO 101 29.770 -11.346 -8.066 761 HG3 PRO 101 2HG PRO 101 31.073 -10.917 -6.943 762 HD2 PRO 101 1HD PRO 101 28.644 -11.767 -6.100 763 HD3 PRO 101 2HD PRO 101 29.621 -10.605 -5.180 764 H SER 102 H SER 102 26.594 -10.419 -7.836 765 HA SER 102 HA SER 102 25.126 -10.917 -9.502 766 HB2 SER 102 1HB SER 102 25.794 -8.066 -10.048 767 HB3 SER 102 2HB SER 102 24.964 -8.964 -11.318 768 HG SER 102 HG SER 102 24.019 -9.071 -8.673 769 H SER 103 H SER 103 27.717 -11.922 -9.716 770 HA SER 103 HA SER 103 28.652 -11.568 -12.424 771 HB2 SER 103 1HB SER 103 29.553 -13.092 -10.027 772 HB3 SER 103 2HB SER 103 30.081 -13.670 -11.607 773 HG SER 103 HG SER 103 30.317 -10.951 -11.236 774 H GLY 104 H GLY 104 28.416 -12.949 -14.128 775 HA2 GLY 104 1HA GLY 104 27.918 -15.422 -14.614 776 HA3 GLY 104 2HA GLY 104 26.418 -15.083 -13.763 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -37.418 -10.472 3.997 2 HA2 GLY 1 1HA GLY 1 -35.740 -8.370 2.913 3 HA3 GLY 1 2HA GLY 1 -37.286 -7.826 3.546 4 H SER 2 H SER 2 -34.278 -9.467 4.382 5 HA SER 2 HA SER 2 -34.806 -8.906 7.220 6 HB2 SER 2 1HB SER 2 -33.084 -10.572 7.718 7 HB3 SER 2 2HB SER 2 -34.313 -11.262 6.657 8 HG SER 2 HG SER 2 -31.666 -10.965 6.233 9 H SER 3 H SER 3 -33.270 -7.851 8.491 10 HA SER 3 HA SER 3 -31.857 -5.762 7.241 11 HB2 SER 3 1HB SER 3 -31.036 -5.212 9.460 12 HB3 SER 3 2HB SER 3 -32.733 -5.679 9.572 13 HG SER 3 HG SER 3 -30.864 -7.710 9.871 14 H GLY 4 H GLY 4 -29.509 -5.328 7.513 15 HA2 GLY 4 1HA GLY 4 -27.369 -6.624 8.086 16 HA3 GLY 4 2HA GLY 4 -27.993 -7.784 6.922 17 H SER 5 H SER 5 -25.712 -7.165 6.117 18 HA SER 5 HA SER 5 -24.472 -6.282 4.425 19 HB2 SER 5 1HB SER 5 -26.703 -6.651 3.198 20 HB3 SER 5 2HB SER 5 -26.954 -4.916 3.393 21 HG SER 5 HG SER 5 -25.392 -6.229 1.624 22 H SER 6 H SER 6 -24.481 -4.922 6.833 23 HA SER 6 HA SER 6 -24.823 -2.095 6.322 24 HB2 SER 6 1HB SER 6 -23.835 -3.661 8.707 25 HB3 SER 6 2HB SER 6 -23.830 -1.898 8.660 26 HG SER 6 HG SER 6 -26.024 -1.889 8.560 27 H GLY 7 H GLY 7 -22.884 -0.685 7.198 28 HA2 GLY 7 1HA GLY 7 -20.588 -0.195 7.154 29 HA3 GLY 7 2HA GLY 7 -20.296 -1.741 6.372 30 HA PRO 8 HA PRO 8 -21.032 1.959 3.305 31 HB2 PRO 8 1HB PRO 8 -18.855 3.556 3.592 32 HB3 PRO 8 2HB PRO 8 -20.370 3.832 4.459 33 HG2 PRO 8 1HG PRO 8 -17.855 2.517 5.411 34 HG3 PRO 8 2HG PRO 8 -18.898 3.678 6.253 35 HD2 PRO 8 1HD PRO 8 -18.996 1.015 6.734 36 HD3 PRO 8 2HD PRO 8 -20.426 2.060 6.853 37 H VAL 9 H VAL 9 -17.738 0.981 4.278 38 HA VAL 9 HA VAL 9 -17.377 -0.357 1.722 39 HB VAL 9 HB VAL 9 -16.599 1.847 1.153 40 HG11 VAL 9 1HG1 VAL 9 -15.527 1.779 3.862 41 HG12 VAL 9 2HG1 VAL 9 -14.380 2.402 2.674 42 HG13 VAL 9 3HG1 VAL 9 -15.966 3.155 2.851 43 HG21 VAL 9 1HG2 VAL 9 -14.768 -0.416 1.365 44 HG22 VAL 9 2HG2 VAL 9 -15.119 0.633 -0.009 45 HG23 VAL 9 3HG2 VAL 9 -13.951 1.140 1.211 46 H HIS 10 H HIS 10 -16.300 -2.202 1.995 47 HA HIS 10 HA HIS 10 -14.511 -2.460 4.318 48 HB2 HIS 10 1HB HIS 10 -15.316 -4.839 4.513 49 HB3 HIS 10 2HB HIS 10 -16.510 -3.618 4.942 50 HD1 HIS 10 1HD HIS 10 -18.588 -3.416 3.452 51 HD2 HIS 10 2HD HIS 10 -15.880 -6.293 2.167 52 HE1 HIS 10 1HE HIS 10 -19.806 -4.752 1.703 53 HE2 HIS 10 2HE HIS 10 -18.176 -6.540 1.002 54 H ILE 11 H ILE 11 -12.586 -3.400 3.933 55 HA ILE 11 HA ILE 11 -11.729 -3.789 1.261 56 HB ILE 11 HB ILE 11 -10.440 -4.371 3.916 57 HG12 ILE 11 1HG1 ILE 11 -9.427 -2.510 1.795 58 HG13 ILE 11 2HG1 ILE 11 -10.763 -2.010 2.826 59 HG21 ILE 11 1HG2 ILE 11 -9.398 -4.963 1.158 60 HG22 ILE 11 2HG2 ILE 11 -8.344 -4.770 2.558 61 HG23 ILE 11 3HG2 ILE 11 -9.544 -6.062 2.530 62 HD11 ILE 11 1HD1 ILE 11 -8.983 -2.923 4.659 63 HD12 ILE 11 2HD1 ILE 11 -7.915 -2.261 3.422 64 HD13 ILE 11 3HD1 ILE 11 -9.149 -1.240 4.159 65 H LEU 12 H LEU 12 -11.208 -5.653 0.143 66 HA LEU 12 HA LEU 12 -12.372 -8.129 1.230 67 HB2 LEU 12 1HB LEU 12 -11.808 -7.835 -1.669 68 HB3 LEU 12 2HB LEU 12 -13.099 -8.715 -0.853 69 HG LEU 12 HG LEU 12 -12.982 -5.719 -1.197 70 HD11 LEU 12 1HD1 LEU 12 -14.574 -7.822 -2.655 71 HD12 LEU 12 2HD1 LEU 12 -13.322 -6.781 -3.331 72 HD13 LEU 12 3HD1 LEU 12 -14.844 -6.083 -2.779 73 HD21 LEU 12 1HD2 LEU 12 -15.254 -7.455 -0.245 74 HD22 LEU 12 2HD2 LEU 12 -15.206 -5.693 -0.317 75 HD23 LEU 12 3HD2 LEU 12 -14.178 -6.558 0.827 76 H SER 13 H SER 13 -9.563 -6.692 -0.272 77 HA SER 13 HA SER 13 -7.939 -8.922 0.597 78 HB2 SER 13 1HB SER 13 -8.376 -8.286 -2.312 79 HB3 SER 13 2HB SER 13 -6.878 -9.036 -1.760 80 HG SER 13 HG SER 13 -9.476 -10.064 -1.821 81 HA PRO 14 HA PRO 14 -5.910 -9.527 0.698 82 HB2 PRO 14 1HB PRO 14 -4.344 -9.180 2.889 83 HB3 PRO 14 2HB PRO 14 -3.712 -9.132 1.239 84 HG2 PRO 14 1HG PRO 14 -4.431 -6.866 3.059 85 HG3 PRO 14 2HG PRO 14 -3.020 -7.046 2.000 86 HD2 PRO 14 1HD PRO 14 -5.169 -5.544 1.322 87 HD3 PRO 14 2HD PRO 14 -4.194 -6.414 0.119 88 H GLN 15 H GLN 15 -6.147 -10.736 2.870 89 HA GLN 15 HA GLN 15 -8.581 -9.746 4.132 90 HB2 GLN 15 1HB GLN 15 -7.199 -12.428 4.180 91 HB3 GLN 15 2HB GLN 15 -8.614 -12.059 5.157 92 HG2 GLN 15 1HG GLN 15 -9.939 -11.685 3.187 93 HG3 GLN 15 2HG GLN 15 -8.524 -11.881 2.155 94 HE21 GLN 15 1HE2 GLN 15 -9.938 -13.492 1.134 95 HE22 GLN 15 2HE2 GLN 15 -9.950 -15.097 1.772 96 H ASP 16 H ASP 16 -5.261 -10.568 4.921 97 HA ASP 16 HA ASP 16 -5.526 -9.117 7.431 98 HB2 ASP 16 1HB ASP 16 -4.300 -10.970 8.645 99 HB3 ASP 16 2HB ASP 16 -5.974 -11.318 8.225 100 H LYS 17 H LYS 17 -3.221 -9.184 8.553 101 HA LYS 17 HA LYS 17 -1.481 -7.681 7.090 102 HB2 LYS 17 1HB LYS 17 -1.290 -8.018 9.515 103 HB3 LYS 17 2HB LYS 17 -0.741 -9.668 9.248 104 HG2 LYS 17 1HG LYS 17 1.244 -8.581 9.601 105 HG3 LYS 17 2HG LYS 17 1.129 -8.519 7.841 106 HD2 LYS 17 1HD LYS 17 0.337 -6.256 7.912 107 HD3 LYS 17 2HD LYS 17 0.203 -6.308 9.671 108 HE2 LYS 17 1HE LYS 17 2.849 -6.882 8.439 109 HE3 LYS 17 2HE LYS 17 2.285 -5.211 8.460 110 HZ1 LYS 17 1HZ LYS 17 1.844 -6.314 10.992 111 HZ2 LYS 17 2HZ LYS 17 2.907 -5.069 10.564 112 HZ3 LYS 17 3HZ LYS 17 3.436 -6.676 10.548 113 H VAL 18 H VAL 18 -0.049 -7.993 5.502 114 HA VAL 18 HA VAL 18 0.506 -10.767 4.683 115 HB VAL 18 HB VAL 18 0.918 -9.906 2.432 116 HG11 VAL 18 1HG1 VAL 18 -1.660 -8.636 2.799 117 HG12 VAL 18 2HG1 VAL 18 -1.247 -10.129 1.953 118 HG13 VAL 18 3HG1 VAL 18 -1.538 -10.151 3.693 119 HG21 VAL 18 1HG2 VAL 18 -0.200 -7.241 3.059 120 HG22 VAL 18 2HG2 VAL 18 1.466 -7.538 3.553 121 HG23 VAL 18 3HG2 VAL 18 1.005 -7.714 1.861 122 H SER 19 H SER 19 2.620 -10.658 3.156 123 HA SER 19 HA SER 19 4.709 -9.014 4.311 124 HB2 SER 19 1HB SER 19 4.798 -10.768 5.915 125 HB3 SER 19 2HB SER 19 4.614 -12.009 4.676 126 HG SER 19 HG SER 19 6.822 -10.252 4.685 127 H LEU 20 H LEU 20 6.273 -8.579 2.865 128 HA LEU 20 HA LEU 20 6.657 -10.346 0.572 129 HB2 LEU 20 1HB LEU 20 6.310 -7.392 0.166 130 HB3 LEU 20 2HB LEU 20 6.365 -8.664 -1.052 131 HG LEU 20 HG LEU 20 4.131 -8.614 0.934 132 HD11 LEU 20 1HD1 LEU 20 2.839 -7.220 -0.644 133 HD12 LEU 20 2HD1 LEU 20 4.321 -6.917 -1.550 134 HD13 LEU 20 3HD1 LEU 20 4.173 -6.349 0.113 135 HD21 LEU 20 1HD2 LEU 20 3.972 -10.516 -0.339 136 HD22 LEU 20 2HD2 LEU 20 4.675 -9.754 -1.766 137 HD23 LEU 20 3HD2 LEU 20 3.010 -9.396 -1.304 138 H THR 21 H THR 21 8.626 -9.886 -0.625 139 HA THR 21 HA THR 21 10.569 -8.207 0.790 140 HB THR 21 HB THR 21 11.143 -11.059 -0.036 141 HG1 THR 21 1HG THR 21 9.799 -10.577 1.953 142 HG21 THR 21 1HG2 THR 21 13.232 -10.604 1.354 143 HG22 THR 21 2HG2 THR 21 12.812 -8.896 1.224 144 HG23 THR 21 3HG2 THR 21 13.149 -9.835 -0.230 145 H PHE 22 H PHE 22 12.370 -7.554 -0.479 146 HA PHE 22 HA PHE 22 12.471 -8.262 -3.277 147 HB2 PHE 22 1HB PHE 22 11.811 -5.427 -2.451 148 HB3 PHE 22 2HB PHE 22 12.189 -5.952 -4.089 149 HD1 PHE 22 1HD PHE 22 9.688 -5.961 -1.427 150 HD2 PHE 22 2HD PHE 22 10.593 -7.211 -5.393 151 HE1 PHE 22 1HE PHE 22 7.308 -6.455 -1.810 152 HE2 PHE 22 2HE PHE 22 8.215 -7.706 -5.784 153 HZ PHE 22 HZ PHE 22 6.569 -7.328 -3.992 154 H THR 23 H THR 23 14.222 -6.905 -4.401 155 HA THR 23 HA THR 23 16.469 -6.626 -2.523 156 HB THR 23 HB THR 23 16.591 -7.082 -5.510 157 HG1 THR 23 1HG THR 23 16.527 -9.157 -5.072 158 HG21 THR 23 1HG2 THR 23 18.654 -6.850 -3.348 159 HG22 THR 23 2HG2 THR 23 18.619 -6.094 -4.941 160 HG23 THR 23 3HG2 THR 23 18.971 -7.815 -4.789 161 H THR 24 H THR 24 17.911 -4.882 -2.721 162 HA THR 24 HA THR 24 16.848 -2.376 -3.079 163 HB THR 24 HB THR 24 19.729 -3.241 -3.367 164 HG1 THR 24 1HG THR 24 18.308 -3.304 -1.290 165 HG21 THR 24 1HG2 THR 24 18.462 -0.625 -3.738 166 HG22 THR 24 2HG2 THR 24 20.061 -1.188 -4.222 167 HG23 THR 24 3HG2 THR 24 19.787 -0.624 -2.575 168 H SER 25 H SER 25 16.807 -0.855 -4.712 169 HA SER 25 HA SER 25 16.654 -0.048 -6.834 170 HB2 SER 25 1HB SER 25 18.991 -1.914 -7.062 171 HB3 SER 25 2HB SER 25 18.340 -1.150 -8.512 172 HG SER 25 HG SER 25 19.742 -0.046 -6.397 173 H GLU 26 H GLU 26 14.715 -1.818 -6.164 174 HA GLU 26 HA GLU 26 14.299 -3.299 -8.675 175 HB2 GLU 26 1HB GLU 26 13.652 -4.147 -5.856 176 HB3 GLU 26 2HB GLU 26 12.888 -4.885 -7.257 177 HG2 GLU 26 1HG GLU 26 15.868 -4.755 -7.000 178 HG3 GLU 26 2HG GLU 26 14.931 -6.037 -6.235 179 H ARG 27 H ARG 27 11.852 -3.879 -8.868 180 HA ARG 27 HA ARG 27 10.373 -1.382 -8.416 181 HB2 ARG 27 1HB ARG 27 10.722 -2.391 -10.762 182 HB3 ARG 27 2HB ARG 27 9.533 -3.592 -10.276 183 HG2 ARG 27 1HG ARG 27 7.993 -1.652 -9.748 184 HG3 ARG 27 2HG ARG 27 9.157 -0.632 -10.598 185 HD2 ARG 27 1HD ARG 27 8.875 -1.932 -12.617 186 HD3 ARG 27 2HD ARG 27 7.808 -3.057 -11.778 187 HE ARG 27 HE ARG 27 6.093 -1.595 -12.119 188 HH11 ARG 27 2HH1 ARG 27 9.102 0.129 -12.430 189 HH12 ARG 27 1HH1 ARG 27 8.353 1.608 -12.934 190 HH21 ARG 27 2HH2 ARG 27 5.095 0.346 -12.782 191 HH22 ARG 27 1HH2 ARG 27 6.074 1.730 -13.133 192 H VAL 28 H VAL 28 8.856 -1.343 -6.906 193 HA VAL 28 HA VAL 28 7.630 -3.893 -6.075 194 HB VAL 28 HB VAL 28 8.163 -1.429 -4.412 195 HG11 VAL 28 1HG1 VAL 28 7.116 -2.511 -2.580 196 HG12 VAL 28 2HG1 VAL 28 5.990 -2.616 -3.935 197 HG13 VAL 28 3HG1 VAL 28 6.953 -4.021 -3.477 198 HG21 VAL 28 1HG2 VAL 28 9.576 -2.999 -3.095 199 HG22 VAL 28 2HG2 VAL 28 9.317 -4.214 -4.347 200 HG23 VAL 28 3HG2 VAL 28 10.164 -2.717 -4.734 201 H VAL 29 H VAL 29 5.466 -4.061 -6.117 202 HA VAL 29 HA VAL 29 3.841 -1.634 -6.334 203 HB VAL 29 HB VAL 29 3.483 -3.974 -8.207 204 HG11 VAL 29 1HG1 VAL 29 2.022 -1.431 -7.713 205 HG12 VAL 29 2HG1 VAL 29 2.111 -2.044 -9.366 206 HG13 VAL 29 3HG1 VAL 29 1.400 -3.037 -8.093 207 HG21 VAL 29 1HG2 VAL 29 5.442 -2.987 -8.987 208 HG22 VAL 29 2HG2 VAL 29 4.184 -2.189 -9.931 209 HG23 VAL 29 3HG2 VAL 29 4.911 -1.362 -8.553 210 H LEU 30 H LEU 30 2.548 -1.780 -4.618 211 HA LEU 30 HA LEU 30 1.733 -4.307 -3.519 212 HB2 LEU 30 1HB LEU 30 0.901 -1.490 -2.843 213 HB3 LEU 30 2HB LEU 30 0.462 -2.924 -1.917 214 HG LEU 30 HG LEU 30 3.277 -1.911 -2.309 215 HD11 LEU 30 1HD1 LEU 30 1.503 -1.746 0.121 216 HD12 LEU 30 2HD1 LEU 30 1.886 -0.398 -0.949 217 HD13 LEU 30 3HD1 LEU 30 3.165 -1.172 -0.014 218 HD21 LEU 30 1HD2 LEU 30 3.426 -4.217 -1.945 219 HD22 LEU 30 2HD2 LEU 30 2.089 -4.214 -0.794 220 HD23 LEU 30 3HD2 LEU 30 3.642 -3.507 -0.344 221 H THR 31 H THR 31 -0.800 -4.136 -2.760 222 HA THR 31 HA THR 31 -2.556 -3.305 -4.881 223 HB THR 31 HB THR 31 -2.302 -6.273 -4.362 224 HG1 THR 31 1HG THR 31 -1.722 -5.054 -6.834 225 HG21 THR 31 1HG2 THR 31 -4.535 -5.822 -4.957 226 HG22 THR 31 2HG2 THR 31 -3.760 -6.319 -6.461 227 HG23 THR 31 3HG2 THR 31 -4.061 -4.611 -6.147 228 H CYS 32 H CYS 32 -4.713 -3.278 -4.267 229 HA CYS 32 HA CYS 32 -5.551 -4.522 -1.798 230 HB2 CYS 32 1HB CYS 32 -4.465 -2.434 -1.023 231 HB3 CYS 32 2HB CYS 32 -5.560 -1.506 -2.040 232 HG CYS 32 HG CYS 32 -6.784 -3.571 0.378 233 H GLU 33 H GLU 33 -7.825 -4.485 -1.492 234 HA GLU 33 HA GLU 33 -9.362 -3.520 -3.811 235 HB2 GLU 33 1HB GLU 33 -8.974 -6.003 -3.858 236 HB3 GLU 33 2HB GLU 33 -9.882 -6.116 -2.357 237 HG2 GLU 33 1HG GLU 33 -11.877 -5.385 -3.406 238 HG3 GLU 33 2HG GLU 33 -11.013 -4.927 -4.873 239 H LEU 34 H LEU 34 -11.528 -2.924 -3.404 240 HA LEU 34 HA LEU 34 -12.287 -2.699 -0.576 241 HB2 LEU 34 1HB LEU 34 -12.124 -0.519 -2.623 242 HB3 LEU 34 2HB LEU 34 -13.258 -0.408 -1.278 243 HG LEU 34 HG LEU 34 -10.255 -0.609 -1.055 244 HD11 LEU 34 1HD1 LEU 34 -10.272 1.589 -1.347 245 HD12 LEU 34 2HD1 LEU 34 -11.228 1.732 0.128 246 HD13 LEU 34 3HD1 LEU 34 -12.033 1.614 -1.436 247 HD21 LEU 34 1HD2 LEU 34 -11.118 -1.671 0.851 248 HD22 LEU 34 2HD2 LEU 34 -12.450 -0.524 0.995 249 HD23 LEU 34 3HD2 LEU 34 -10.801 -0.013 1.362 250 H SER 35 H SER 35 -14.642 -1.971 -0.389 251 HA SER 35 HA SER 35 -16.208 -3.506 -2.343 252 HB2 SER 35 1HB SER 35 -16.228 -4.050 0.181 253 HB3 SER 35 2HB SER 35 -17.215 -2.598 0.346 254 HG SER 35 HG SER 35 -17.933 -4.487 -1.588 255 H ARG 36 H ARG 36 -15.345 -0.833 -2.910 256 HA ARG 36 HA ARG 36 -17.883 0.307 -3.614 257 HB2 ARG 36 1HB ARG 36 -16.215 1.501 -1.440 258 HB3 ARG 36 2HB ARG 36 -17.073 2.575 -2.537 259 HG2 ARG 36 1HG ARG 36 -19.124 1.073 -1.944 260 HG3 ARG 36 2HG ARG 36 -18.153 0.659 -0.529 261 HD2 ARG 36 1HD ARG 36 -18.281 2.766 0.346 262 HD3 ARG 36 2HD ARG 36 -18.425 3.530 -1.236 263 HE ARG 36 HE ARG 36 -20.753 2.145 -0.946 264 HH11 ARG 36 2HH1 ARG 36 -19.081 4.547 0.938 265 HH12 ARG 36 1HH1 ARG 36 -20.531 5.221 1.606 266 HH21 ARG 36 2HH2 ARG 36 -22.669 3.024 -0.075 267 HH22 ARG 36 1HH2 ARG 36 -22.571 4.353 1.030 268 H VAL 37 H VAL 37 -17.604 0.950 -5.636 269 HA VAL 37 HA VAL 37 -15.008 1.365 -6.759 270 HB VAL 37 HB VAL 37 -17.786 1.704 -7.877 271 HG11 VAL 37 1HG1 VAL 37 -16.307 1.750 -10.088 272 HG12 VAL 37 2HG1 VAL 37 -16.774 3.223 -9.235 273 HG13 VAL 37 3HG1 VAL 37 -15.168 2.535 -8.994 274 HG21 VAL 37 1HG2 VAL 37 -17.361 -0.289 -9.063 275 HG22 VAL 37 2HG2 VAL 37 -15.635 -0.229 -8.705 276 HG23 VAL 37 3HG2 VAL 37 -16.790 -0.588 -7.422 277 H ASP 38 H ASP 38 -14.096 3.255 -7.551 278 HA ASP 38 HA ASP 38 -13.505 5.453 -7.481 279 HB2 ASP 38 1HB ASP 38 -15.823 5.385 -8.763 280 HB3 ASP 38 2HB ASP 38 -16.372 6.279 -7.348 281 H PHE 39 H PHE 39 -13.318 4.349 -5.045 282 HA PHE 39 HA PHE 39 -14.570 6.269 -3.200 283 HB2 PHE 39 1HB PHE 39 -14.727 3.629 -2.986 284 HB3 PHE 39 2HB PHE 39 -13.159 3.832 -2.211 285 HD1 PHE 39 2HD PHE 39 -16.508 5.486 -2.122 286 HD2 PHE 39 1HD PHE 39 -13.196 3.956 0.070 287 HE1 PHE 39 2HE PHE 39 -17.632 6.079 -0.016 288 HE2 PHE 39 1HE PHE 39 -14.316 4.545 2.180 289 HZ PHE 39 HZ PHE 39 -16.536 5.610 2.139 290 HA PRO 40 HA PRO 40 -10.656 8.187 -2.560 291 HB2 PRO 40 1HB PRO 40 -11.165 9.361 -0.166 292 HB3 PRO 40 2HB PRO 40 -11.840 9.953 -1.688 293 HG2 PRO 40 1HG PRO 40 -13.113 8.235 0.407 294 HG3 PRO 40 2HG PRO 40 -13.799 9.606 -0.485 295 HD2 PRO 40 1HD PRO 40 -14.324 7.032 -1.142 296 HD3 PRO 40 2HD PRO 40 -14.248 8.330 -2.351 297 H ALA 41 H ALA 41 -8.782 8.058 -1.256 298 HA ALA 41 HA ALA 41 -8.638 6.615 1.169 299 HB1 ALA 41 1HB ALA 41 -7.481 5.078 -1.139 300 HB2 ALA 41 2HB ALA 41 -7.711 4.552 0.529 301 HB3 ALA 41 3HB ALA 41 -9.107 4.776 -0.525 302 H THR 42 H THR 42 -6.548 6.612 2.066 303 HA THR 42 HA THR 42 -4.504 8.048 0.507 304 HB THR 42 HB THR 42 -5.167 8.503 3.423 305 HG1 THR 42 1HG THR 42 -6.410 9.486 1.468 306 HG21 THR 42 1HG2 THR 42 -3.307 10.282 1.964 307 HG22 THR 42 2HG2 THR 42 -2.696 8.680 2.380 308 HG23 THR 42 3HG2 THR 42 -3.287 9.755 3.647 309 H TRP 43 H TRP 43 -2.542 7.144 0.507 310 HA TRP 43 HA TRP 43 -2.140 4.692 1.989 311 HB2 TRP 43 1HB TRP 43 -0.507 6.143 -0.093 312 HB3 TRP 43 2HB TRP 43 0.074 4.695 0.726 313 HD1 TRP 43 HD TRP 43 -2.757 5.822 -1.645 314 HE1 TRP 43 1HE TRP 43 -3.553 3.768 -2.976 315 HE3 TRP 43 3HE TRP 43 0.024 2.218 0.683 316 HZ2 TRP 43 2HZ TRP 43 -3.066 0.988 -3.032 317 HZ3 TRP 43 3HZ TRP 43 -0.200 -0.114 -0.069 318 HH2 TRP 43 HH TRP 43 -1.714 -0.714 -1.888 319 H TYR 44 H TYR 44 -0.860 4.402 3.725 320 HA TYR 44 HA TYR 44 0.761 6.688 4.632 321 HB2 TYR 44 1HB TYR 44 -1.064 4.908 6.246 322 HB3 TYR 44 2HB TYR 44 0.188 5.900 6.985 323 HD1 TYR 44 2HD TYR 44 0.003 8.340 6.988 324 HD2 TYR 44 1HD TYR 44 -3.068 5.902 5.337 325 HE1 TYR 44 2HE TYR 44 -1.535 10.260 7.026 326 HE2 TYR 44 1HE TYR 44 -4.614 7.815 5.370 327 HH TYR 44 HH TYR 44 -3.604 10.969 6.654 328 H LYS 45 H LYS 45 2.726 6.232 5.574 329 HA LYS 45 HA LYS 45 3.528 3.406 5.701 330 HB2 LYS 45 1HB LYS 45 4.329 4.471 3.585 331 HB3 LYS 45 2HB LYS 45 5.239 5.620 4.558 332 HG2 LYS 45 1HG LYS 45 6.307 3.509 5.610 333 HG3 LYS 45 2HG LYS 45 5.700 2.695 4.166 334 HD2 LYS 45 1HD LYS 45 7.066 3.917 2.747 335 HD3 LYS 45 2HD LYS 45 7.266 5.231 3.908 336 HE2 LYS 45 1HE LYS 45 8.294 2.540 4.642 337 HE3 LYS 45 2HE LYS 45 9.187 3.467 3.437 338 HZ1 LYS 45 1HZ LYS 45 8.491 5.085 5.668 339 HZ2 LYS 45 2HZ LYS 45 10.017 4.766 5.012 340 HZ3 LYS 45 3HZ LYS 45 9.358 3.721 6.168 341 H ASP 46 H ASP 46 4.486 2.870 7.553 342 HA ASP 46 HA ASP 46 5.301 3.057 9.674 343 HB2 ASP 46 1HB ASP 46 7.235 3.831 8.072 344 HB3 ASP 46 2HB ASP 46 6.941 5.406 8.804 345 H GLY 47 H GLY 47 2.890 4.495 9.178 346 HA2 GLY 47 1HA GLY 47 1.516 5.913 10.360 347 HA3 GLY 47 2HA GLY 47 2.829 6.124 11.510 348 H GLN 48 H GLN 48 2.989 6.838 8.065 349 HA GLN 48 HA GLN 48 2.749 9.693 8.558 350 HB2 GLN 48 1HB GLN 48 5.271 8.464 7.431 351 HB3 GLN 48 2HB GLN 48 4.918 10.186 7.474 352 HG2 GLN 48 1HG GLN 48 4.638 9.761 10.037 353 HG3 GLN 48 2HG GLN 48 5.621 8.338 9.698 354 HE21 GLN 48 1HE2 GLN 48 5.514 11.836 9.572 355 HE22 GLN 48 2HE2 GLN 48 7.224 12.078 9.541 356 H LYS 49 H LYS 49 1.469 10.444 7.019 357 HA LYS 49 HA LYS 49 0.523 9.120 4.827 358 HB2 LYS 49 1HB LYS 49 -0.518 11.157 5.542 359 HB3 LYS 49 2HB LYS 49 0.942 12.084 5.220 360 HG2 LYS 49 1HG LYS 49 0.640 11.395 2.784 361 HG3 LYS 49 2HG LYS 49 -0.985 10.892 3.257 362 HD2 LYS 49 1HD LYS 49 -1.144 13.275 4.279 363 HD3 LYS 49 2HD LYS 49 0.214 13.636 3.210 364 HE2 LYS 49 1HE LYS 49 -1.080 12.958 1.282 365 HE3 LYS 49 2HE LYS 49 -2.417 12.458 2.318 366 HZ1 LYS 49 1HZ LYS 49 -1.614 15.178 2.752 367 HZ2 LYS 49 2HZ LYS 49 -3.155 14.540 2.470 368 HZ3 LYS 49 3HZ LYS 49 -2.136 14.899 1.168 369 H VAL 50 H VAL 50 1.107 8.807 2.728 370 HA VAL 50 HA VAL 50 3.901 9.318 2.076 371 HB VAL 50 HB VAL 50 3.693 7.729 0.340 372 HG11 VAL 50 1HG1 VAL 50 2.524 5.787 1.501 373 HG12 VAL 50 2HG1 VAL 50 3.815 6.591 2.395 374 HG13 VAL 50 3HG1 VAL 50 2.128 6.935 2.780 375 HG21 VAL 50 1HG2 VAL 50 0.735 8.162 0.626 376 HG22 VAL 50 2HG2 VAL 50 1.745 8.359 -0.806 377 HG23 VAL 50 3HG2 VAL 50 1.394 6.744 -0.191 378 H GLU 51 H GLU 51 4.603 10.498 0.321 379 HA GLU 51 HA GLU 51 2.600 12.299 -0.852 380 HB2 GLU 51 1HB GLU 51 5.580 12.580 -0.472 381 HB3 GLU 51 2HB GLU 51 4.630 13.694 -1.446 382 HG2 GLU 51 1HG GLU 51 3.390 14.424 0.435 383 HG3 GLU 51 2HG GLU 51 4.036 13.131 1.443 384 H GLU 52 H GLU 52 1.876 11.450 -2.710 385 HA GLU 52 HA GLU 52 3.151 9.673 -4.391 386 HB2 GLU 52 1HB GLU 52 0.975 11.684 -4.806 387 HB3 GLU 52 2HB GLU 52 1.624 10.823 -6.194 388 HG2 GLU 52 1HG GLU 52 1.026 8.703 -5.207 389 HG3 GLU 52 2HG GLU 52 0.471 9.512 -3.743 390 H SER 53 H SER 53 5.062 9.888 -5.340 391 HA SER 53 HA SER 53 5.605 12.317 -6.881 392 HB2 SER 53 1HB SER 53 7.778 12.638 -5.971 393 HB3 SER 53 2HB SER 53 6.707 12.435 -4.585 394 HG SER 53 HG SER 53 8.846 10.990 -5.259 395 H GLU 54 H GLU 54 7.988 11.842 -7.933 396 HA GLU 54 HA GLU 54 7.527 9.879 -9.874 397 HB2 GLU 54 1HB GLU 54 9.755 10.334 -10.663 398 HB3 GLU 54 2HB GLU 54 9.023 11.848 -10.153 399 HG2 GLU 54 1HG GLU 54 10.225 11.533 -7.951 400 HG3 GLU 54 2HG GLU 54 11.124 10.238 -8.740 401 H LEU 55 H LEU 55 9.205 9.755 -6.808 402 HA LEU 55 HA LEU 55 10.263 7.102 -7.332 403 HB2 LEU 55 1HB LEU 55 10.378 8.886 -4.907 404 HB3 LEU 55 2HB LEU 55 11.122 7.291 -4.996 405 HG LEU 55 HG LEU 55 11.845 9.610 -6.785 406 HD11 LEU 55 1HD1 LEU 55 13.429 10.279 -5.331 407 HD12 LEU 55 2HD1 LEU 55 13.741 8.644 -4.749 408 HD13 LEU 55 3HD1 LEU 55 12.353 9.546 -4.141 409 HD21 LEU 55 1HD2 LEU 55 13.191 8.212 -7.883 410 HD22 LEU 55 2HD2 LEU 55 12.278 6.907 -7.124 411 HD23 LEU 55 3HD2 LEU 55 13.778 7.476 -6.391 412 H LEU 56 H LEU 56 7.404 8.458 -6.157 413 HA LEU 56 HA LEU 56 6.592 5.853 -5.067 414 HB2 LEU 56 1HB LEU 56 7.084 7.695 -3.331 415 HB3 LEU 56 2HB LEU 56 5.588 8.428 -3.906 416 HG LEU 56 HG LEU 56 5.572 5.588 -2.977 417 HD11 LEU 56 1HD1 LEU 56 6.743 7.169 -1.301 418 HD12 LEU 56 2HD1 LEU 56 5.439 6.128 -0.730 419 HD13 LEU 56 3HD1 LEU 56 5.128 7.834 -1.052 420 HD21 LEU 56 1HD2 LEU 56 3.671 7.497 -3.848 421 HD22 LEU 56 2HD2 LEU 56 3.368 7.181 -2.139 422 HD23 LEU 56 3HD2 LEU 56 3.392 5.846 -3.293 423 H VAL 57 H VAL 57 5.346 5.206 -6.747 424 HA VAL 57 HA VAL 57 3.303 7.049 -7.769 425 HB VAL 57 HB VAL 57 4.185 4.384 -8.886 426 HG11 VAL 57 1HG1 VAL 57 2.135 6.388 -9.705 427 HG12 VAL 57 2HG1 VAL 57 2.994 5.477 -10.948 428 HG13 VAL 57 3HG1 VAL 57 2.057 4.627 -9.720 429 HG21 VAL 57 1HG2 VAL 57 5.957 5.501 -9.645 430 HG22 VAL 57 2HG2 VAL 57 4.844 6.392 -10.683 431 HG23 VAL 57 3HG2 VAL 57 5.301 7.048 -9.111 432 H VAL 58 H VAL 58 1.121 6.392 -7.955 433 HA VAL 58 HA VAL 58 0.261 3.929 -6.702 434 HB VAL 58 HB VAL 58 0.584 5.709 -4.862 435 HG11 VAL 58 1HG1 VAL 58 -2.033 6.687 -5.997 436 HG12 VAL 58 2HG1 VAL 58 -1.201 7.293 -4.564 437 HG13 VAL 58 3HG1 VAL 58 -0.493 7.530 -6.162 438 HG21 VAL 58 1HG2 VAL 58 -0.509 3.846 -4.112 439 HG22 VAL 58 2HG2 VAL 58 -1.797 5.038 -3.937 440 HG23 VAL 58 3HG2 VAL 58 -1.776 3.961 -5.334 441 H LYS 59 H LYS 59 -1.416 3.173 -7.806 442 HA LYS 59 HA LYS 59 -2.961 5.043 -9.464 443 HB2 LYS 59 1HB LYS 59 -2.816 2.035 -9.705 444 HB3 LYS 59 2HB LYS 59 -3.524 3.157 -10.859 445 HG2 LYS 59 1HG LYS 59 -0.654 3.483 -10.170 446 HG3 LYS 59 2HG LYS 59 -1.122 2.137 -11.211 447 HD2 LYS 59 1HD LYS 59 -2.018 3.582 -12.846 448 HD3 LYS 59 2HD LYS 59 -2.005 4.962 -11.745 449 HE2 LYS 59 1HE LYS 59 0.580 3.628 -12.357 450 HE3 LYS 59 2HE LYS 59 -0.149 4.636 -13.606 451 HZ1 LYS 59 1HZ LYS 59 0.558 5.478 -10.848 452 HZ2 LYS 59 2HZ LYS 59 -0.251 6.451 -11.970 453 HZ3 LYS 59 3HZ LYS 59 1.335 5.948 -12.276 454 H MET 60 H MET 60 -5.287 4.418 -9.808 455 HA MET 60 HA MET 60 -6.514 3.072 -7.530 456 HB2 MET 60 1HB MET 60 -6.345 5.458 -6.894 457 HB3 MET 60 2HB MET 60 -7.257 5.890 -8.334 458 HG2 MET 60 1HG MET 60 -9.086 4.365 -7.410 459 HG3 MET 60 2HG MET 60 -8.193 4.434 -5.892 460 HE1 MET 60 1HE MET 60 -11.056 7.345 -7.660 461 HE2 MET 60 2HE MET 60 -10.579 5.731 -8.187 462 HE3 MET 60 3HE MET 60 -11.485 5.937 -6.688 463 H ASP 61 H ASP 61 -7.572 1.522 -8.611 464 HA ASP 61 HA ASP 61 -9.142 2.286 -10.978 465 HB2 ASP 61 1HB ASP 61 -7.333 0.358 -10.925 466 HB3 ASP 61 2HB ASP 61 -8.665 -0.569 -10.239 467 H GLY 62 H GLY 62 -11.108 2.903 -10.262 468 HA2 GLY 62 1HA GLY 62 -13.139 2.830 -9.181 469 HA3 GLY 62 2HA GLY 62 -13.068 1.116 -9.564 470 H ARG 63 H ARG 63 -12.474 -0.360 -7.985 471 HA ARG 63 HA ARG 63 -12.299 0.744 -5.258 472 HB2 ARG 63 1HB ARG 63 -13.270 -1.610 -4.667 473 HB3 ARG 63 2HB ARG 63 -14.342 -0.335 -5.231 474 HG2 ARG 63 1HG ARG 63 -14.476 -1.284 -7.398 475 HG3 ARG 63 2HG ARG 63 -13.162 -2.410 -7.055 476 HD2 ARG 63 1HD ARG 63 -14.615 -3.402 -5.263 477 HD3 ARG 63 2HD ARG 63 -15.931 -2.399 -5.872 478 HE ARG 63 HE ARG 63 -14.878 -3.841 -8.018 479 HH11 ARG 63 2HH1 ARG 63 -16.607 -4.411 -5.050 480 HH12 ARG 63 1HH1 ARG 63 -17.403 -5.835 -5.635 481 HH21 ARG 63 2HH2 ARG 63 -15.919 -5.714 -8.799 482 HH22 ARG 63 1HH2 ARG 63 -17.010 -6.576 -7.767 483 H LYS 64 H LYS 64 -10.035 0.288 -6.898 484 HA LYS 64 HA LYS 64 -8.683 -1.745 -5.279 485 HB2 LYS 64 1HB LYS 64 -8.633 -1.570 -8.291 486 HB3 LYS 64 2HB LYS 64 -7.412 -2.436 -7.367 487 HG2 LYS 64 1HG LYS 64 -9.186 -3.862 -6.417 488 HG3 LYS 64 2HG LYS 64 -10.363 -3.030 -7.436 489 HD2 LYS 64 1HD LYS 64 -9.137 -3.762 -9.432 490 HD3 LYS 64 2HD LYS 64 -7.979 -4.609 -8.404 491 HE2 LYS 64 1HE LYS 64 -9.472 -6.271 -9.108 492 HE3 LYS 64 2HE LYS 64 -9.992 -5.871 -7.472 493 HZ1 LYS 64 1HZ LYS 64 -11.960 -5.198 -8.213 494 HZ2 LYS 64 2HZ LYS 64 -11.566 -5.898 -9.700 495 HZ3 LYS 64 3HZ LYS 64 -11.282 -4.251 -9.440 496 H HIS 65 H HIS 65 -7.074 -0.762 -4.265 497 HA HIS 65 HA HIS 65 -5.699 1.463 -5.621 498 HB2 HIS 65 1HB HIS 65 -5.990 0.916 -2.659 499 HB3 HIS 65 2HB HIS 65 -5.089 2.257 -3.359 500 HD1 HIS 65 1HD HIS 65 -6.360 4.366 -3.575 501 HD2 HIS 65 2HD HIS 65 -8.868 1.056 -3.446 502 HE1 HIS 65 1HE HIS 65 -8.697 5.293 -3.573 503 HE2 HIS 65 2HE HIS 65 -10.196 3.276 -3.408 504 H ARG 66 H ARG 66 -3.507 1.449 -5.810 505 HA ARG 66 HA ARG 66 -1.922 -0.547 -4.425 506 HB2 ARG 66 1HB ARG 66 -0.919 -1.336 -6.607 507 HB3 ARG 66 2HB ARG 66 -2.559 -1.881 -6.283 508 HG2 ARG 66 1HG ARG 66 -3.475 -0.514 -7.909 509 HG3 ARG 66 2HG ARG 66 -2.084 0.573 -7.919 510 HD2 ARG 66 1HD ARG 66 -0.725 -1.148 -8.971 511 HD3 ARG 66 2HD ARG 66 -2.080 -2.274 -8.913 512 HE ARG 66 HE ARG 66 -1.695 -0.103 -10.778 513 HH11 ARG 66 2HH1 ARG 66 -3.951 -2.334 -9.346 514 HH12 ARG 66 1HH1 ARG 66 -5.084 -2.230 -10.653 515 HH21 ARG 66 2HH2 ARG 66 -3.179 0.043 -12.504 516 HH22 ARG 66 1HH2 ARG 66 -4.644 -0.878 -12.449 517 H LEU 67 H LEU 67 0.211 0.020 -4.222 518 HA LEU 67 HA LEU 67 0.945 2.641 -5.342 519 HB2 LEU 67 1HB LEU 67 0.769 2.273 -2.811 520 HB3 LEU 67 2HB LEU 67 2.252 1.336 -2.977 521 HG LEU 67 HG LEU 67 2.159 4.145 -3.994 522 HD11 LEU 67 1HD1 LEU 67 2.226 3.267 -1.140 523 HD12 LEU 67 2HD1 LEU 67 1.387 4.632 -1.876 524 HD13 LEU 67 3HD1 LEU 67 3.135 4.690 -1.650 525 HD21 LEU 67 1HD2 LEU 67 4.312 3.743 -4.339 526 HD22 LEU 67 2HD2 LEU 67 4.099 2.099 -3.736 527 HD23 LEU 67 3HD2 LEU 67 4.538 3.396 -2.625 528 H ILE 68 H ILE 68 2.456 2.656 -6.859 529 HA ILE 68 HA ILE 68 4.151 0.293 -7.202 530 HB ILE 68 HB ILE 68 3.388 2.548 -9.035 531 HG12 ILE 68 1HG1 ILE 68 3.364 -0.389 -9.652 532 HG13 ILE 68 2HG1 ILE 68 2.079 0.316 -8.679 533 HG21 ILE 68 1HG2 ILE 68 4.948 1.636 -10.700 534 HG22 ILE 68 2HG2 ILE 68 5.785 2.275 -9.286 535 HG23 ILE 68 3HG2 ILE 68 5.587 0.533 -9.481 536 HD11 ILE 68 1HD1 ILE 68 2.810 1.462 -11.344 537 HD12 ILE 68 2HD1 ILE 68 1.712 0.089 -11.197 538 HD13 ILE 68 3HD1 ILE 68 1.308 1.628 -10.436 539 H LEU 69 H LEU 69 6.422 0.555 -7.689 540 HA LEU 69 HA LEU 69 7.640 3.074 -6.857 541 HB2 LEU 69 1HB LEU 69 8.031 0.423 -5.513 542 HB3 LEU 69 2HB LEU 69 9.286 1.659 -5.475 543 HG LEU 69 HG LEU 69 6.485 2.022 -4.413 544 HD11 LEU 69 1HD1 LEU 69 7.359 1.717 -2.233 545 HD12 LEU 69 2HD1 LEU 69 9.017 1.657 -2.830 546 HD13 LEU 69 3HD1 LEU 69 7.902 0.339 -3.190 547 HD21 LEU 69 1HD2 LEU 69 7.546 4.096 -5.142 548 HD22 LEU 69 2HD2 LEU 69 8.962 3.726 -4.157 549 HD23 LEU 69 3HD2 LEU 69 7.406 4.036 -3.385 550 HA PRO 70 HA PRO 70 10.027 1.892 -10.435 551 HB2 PRO 70 1HB PRO 70 11.547 4.141 -10.496 552 HB3 PRO 70 2HB PRO 70 9.877 4.094 -11.074 553 HG2 PRO 70 1HG PRO 70 10.947 5.064 -8.452 554 HG3 PRO 70 2HG PRO 70 9.712 5.792 -9.494 555 HD2 PRO 70 1HD PRO 70 9.090 4.347 -7.290 556 HD3 PRO 70 2HD PRO 70 8.057 4.380 -8.733 557 H GLU 71 H GLU 71 11.503 3.226 -7.491 558 HA GLU 71 HA GLU 71 13.671 1.266 -7.781 559 HB2 GLU 71 1HB GLU 71 14.244 3.725 -8.446 560 HB3 GLU 71 2HB GLU 71 14.252 4.005 -6.710 561 HG2 GLU 71 1HG GLU 71 15.913 2.135 -6.518 562 HG3 GLU 71 2HG GLU 71 16.012 2.143 -8.278 563 H ALA 72 H ALA 72 13.174 -0.081 -6.150 564 HA ALA 72 HA ALA 72 12.132 0.850 -3.640 565 HB1 ALA 72 1HB ALA 72 12.619 -1.740 -4.925 566 HB2 ALA 72 2HB ALA 72 12.835 -1.735 -3.174 567 HB3 ALA 72 3HB ALA 72 11.301 -1.221 -3.874 568 H LYS 73 H LYS 73 13.595 2.133 -2.594 569 HA LYS 73 HA LYS 73 16.341 1.257 -2.260 570 HB2 LYS 73 1HB LYS 73 16.399 3.413 -0.817 571 HB3 LYS 73 2HB LYS 73 16.248 3.561 -2.563 572 HG2 LYS 73 1HG LYS 73 13.914 4.011 -2.400 573 HG3 LYS 73 2HG LYS 73 13.905 3.622 -0.678 574 HD2 LYS 73 1HD LYS 73 13.996 5.905 -0.564 575 HD3 LYS 73 2HD LYS 73 15.723 5.537 -0.595 576 HE2 LYS 73 1HE LYS 73 14.111 6.141 -3.066 577 HE3 LYS 73 2HE LYS 73 14.967 7.376 -2.144 578 HZ1 LYS 73 1HZ LYS 73 16.833 5.429 -2.551 579 HZ2 LYS 73 2HZ LYS 73 16.709 6.882 -3.409 580 HZ3 LYS 73 3HZ LYS 73 15.991 5.476 -4.018 581 H VAL 74 H VAL 74 17.338 0.955 -0.202 582 HA VAL 74 HA VAL 74 16.112 -0.794 1.511 583 HB VAL 74 HB VAL 74 18.286 1.185 2.210 584 HG11 VAL 74 1HG1 VAL 74 17.500 -1.373 3.602 585 HG12 VAL 74 2HG1 VAL 74 18.858 -0.329 4.027 586 HG13 VAL 74 3HG1 VAL 74 17.204 0.257 4.205 587 HG21 VAL 74 1HG2 VAL 74 19.683 -0.962 1.885 588 HG22 VAL 74 2HG2 VAL 74 18.288 -1.548 0.979 589 HG23 VAL 74 3HG2 VAL 74 19.130 -0.090 0.455 590 H GLN 75 H GLN 75 15.912 2.686 1.497 591 HA GLN 75 HA GLN 75 14.761 2.905 4.115 592 HB2 GLN 75 1HB GLN 75 14.672 4.928 1.874 593 HB3 GLN 75 2HB GLN 75 14.439 5.236 3.590 594 HG2 GLN 75 1HG GLN 75 16.857 4.245 3.778 595 HG3 GLN 75 2HG GLN 75 16.946 4.709 2.079 596 HE21 GLN 75 1HE2 GLN 75 18.596 6.192 2.708 597 HE22 GLN 75 2HE2 GLN 75 18.179 7.717 3.406 598 H ASP 76 H ASP 76 13.564 2.548 0.850 599 HA ASP 76 HA ASP 76 10.891 3.296 1.278 600 HB2 ASP 76 1HB ASP 76 12.261 1.525 -0.723 601 HB3 ASP 76 2HB ASP 76 10.504 1.642 -0.698 602 H SER 77 H SER 77 12.655 0.505 2.231 603 HA SER 77 HA SER 77 10.551 -1.360 2.427 604 HB2 SER 77 1HB SER 77 12.040 -2.698 3.695 605 HB3 SER 77 2HB SER 77 13.070 -1.798 2.581 606 HG SER 77 HG SER 77 13.965 -0.825 4.215 607 H GLY 78 H GLY 78 8.892 -1.494 3.789 608 HA2 GLY 78 1HA GLY 78 8.950 -0.956 6.526 609 HA3 GLY 78 2HA GLY 78 8.379 0.500 5.725 610 H GLU 79 H GLU 79 6.347 0.300 6.739 611 HA GLU 79 HA GLU 79 4.686 -1.897 5.691 612 HB2 GLU 79 1HB GLU 79 4.986 -1.898 8.164 613 HB3 GLU 79 2HB GLU 79 4.236 -0.308 8.222 614 HG2 GLU 79 1HG GLU 79 2.613 -1.964 8.813 615 HG3 GLU 79 2HG GLU 79 2.187 -1.275 7.247 616 H PHE 80 H PHE 80 2.982 -1.385 4.466 617 HA PHE 80 HA PHE 80 2.327 1.465 4.165 618 HB2 PHE 80 1HB PHE 80 2.161 -0.878 2.290 619 HB3 PHE 80 2HB PHE 80 1.212 0.576 1.999 620 HD1 PHE 80 1HD PHE 80 4.713 -0.487 2.700 621 HD2 PHE 80 2HD PHE 80 2.130 2.277 0.750 622 HE1 PHE 80 1HE PHE 80 6.657 0.557 1.613 623 HE2 PHE 80 2HE PHE 80 4.070 3.325 -0.342 624 HZ PHE 80 HZ PHE 80 6.337 2.465 0.089 625 H GLU 81 H GLU 81 0.114 2.092 3.929 626 HA GLU 81 HA GLU 81 -1.923 0.162 4.699 627 HB2 GLU 81 1HB GLU 81 -1.188 0.949 6.857 628 HB3 GLU 81 2HB GLU 81 -1.280 2.623 6.328 629 HG2 GLU 81 1HG GLU 81 -3.776 2.139 5.942 630 HG3 GLU 81 2HG GLU 81 -3.503 0.726 6.959 631 H CYS 82 H CYS 82 -3.775 0.524 3.652 632 HA CYS 82 HA CYS 82 -4.022 3.016 2.132 633 HB2 CYS 82 1HB CYS 82 -4.194 1.103 0.729 634 HB3 CYS 82 2HB CYS 82 -5.303 0.303 1.835 635 HG CYS 82 HG CYS 82 -6.171 3.185 0.227 636 H ARG 83 H ARG 83 -4.625 4.117 4.170 637 HA ARG 83 HA ARG 83 -6.919 3.529 5.644 638 HB2 ARG 83 1HB ARG 83 -5.048 5.260 6.090 639 HB3 ARG 83 2HB ARG 83 -6.024 6.349 5.115 640 HG2 ARG 83 1HG ARG 83 -7.665 6.516 6.689 641 HG3 ARG 83 2HG ARG 83 -7.344 4.913 7.353 642 HD2 ARG 83 1HD ARG 83 -5.443 5.678 8.531 643 HD3 ARG 83 2HD ARG 83 -5.414 7.199 7.640 644 HE ARG 83 HE ARG 83 -7.818 7.237 8.900 645 HH11 ARG 83 2HH1 ARG 83 -4.536 6.767 9.961 646 HH12 ARG 83 1HH1 ARG 83 -4.808 7.446 11.531 647 HH21 ARG 83 2HH2 ARG 83 -8.190 8.133 10.964 648 HH22 ARG 83 1HH2 ARG 83 -6.887 8.222 12.101 649 H THR 84 H THR 84 -9.047 3.878 5.360 650 HA THR 84 HA THR 84 -9.993 5.680 3.287 651 HB THR 84 HB THR 84 -9.640 3.509 2.116 652 HG1 THR 84 1HG THR 84 -12.421 3.859 2.250 653 HG21 THR 84 1HG2 THR 84 -11.388 2.569 4.331 654 HG22 THR 84 2HG2 THR 84 -10.042 1.758 3.531 655 HG23 THR 84 3HG2 THR 84 -11.615 1.847 2.739 656 H GLU 85 H GLU 85 -12.418 5.803 3.289 657 HA GLU 85 HA GLU 85 -13.348 6.218 5.927 658 HB2 GLU 85 1HB GLU 85 -14.090 7.427 3.815 659 HB3 GLU 85 2HB GLU 85 -15.081 6.018 3.468 660 HG2 GLU 85 1HG GLU 85 -15.292 7.639 5.991 661 HG3 GLU 85 2HG GLU 85 -16.288 7.898 4.560 662 H GLY 86 H GLY 86 -12.920 4.049 6.788 663 HA2 GLY 86 1HA GLY 86 -15.082 2.592 7.457 664 HA3 GLY 86 2HA GLY 86 -14.644 1.894 5.905 665 H VAL 87 H VAL 87 -12.312 1.205 5.714 666 HA VAL 87 HA VAL 87 -11.197 0.317 8.279 667 HB VAL 87 HB VAL 87 -10.775 -1.924 7.418 668 HG11 VAL 87 1HG1 VAL 87 -13.696 -1.377 6.991 669 HG12 VAL 87 2HG1 VAL 87 -12.930 -2.793 7.715 670 HG13 VAL 87 3HG1 VAL 87 -12.951 -1.258 8.585 671 HG21 VAL 87 1HG2 VAL 87 -10.955 -0.917 4.955 672 HG22 VAL 87 2HG2 VAL 87 -11.201 -2.629 5.299 673 HG23 VAL 87 3HG2 VAL 87 -12.590 -1.561 5.104 674 H SER 88 H SER 88 -8.990 -0.837 7.788 675 HA SER 88 HA SER 88 -7.581 0.544 5.618 676 HB2 SER 88 1HB SER 88 -6.215 0.348 8.267 677 HB3 SER 88 2HB SER 88 -5.998 1.531 6.977 678 HG SER 88 HG SER 88 -8.133 2.317 7.567 679 H ALA 89 H ALA 89 -5.746 -0.513 4.840 680 HA ALA 89 HA ALA 89 -5.572 -3.339 5.620 681 HB1 ALA 89 1HB ALA 89 -5.110 -1.872 3.071 682 HB2 ALA 89 2HB ALA 89 -4.225 -3.370 3.361 683 HB3 ALA 89 3HB ALA 89 -5.988 -3.372 3.369 684 H PHE 90 H PHE 90 -3.225 -4.206 4.965 685 HA PHE 90 HA PHE 90 -1.117 -2.392 5.793 686 HB2 PHE 90 1HB PHE 90 -2.096 -4.670 7.475 687 HB3 PHE 90 2HB PHE 90 -0.384 -4.257 7.490 688 HD1 PHE 90 2HD PHE 90 0.344 -2.037 8.285 689 HD2 PHE 90 1HD PHE 90 -3.707 -3.313 8.564 690 HE1 PHE 90 2HE PHE 90 -0.099 -0.261 9.929 691 HE2 PHE 90 1HE PHE 90 -4.156 -1.538 10.208 692 HZ PHE 90 HZ PHE 90 -2.351 -0.010 10.893 693 H PHE 91 H PHE 91 0.670 -2.798 4.668 694 HA PHE 91 HA PHE 91 1.071 -5.508 3.592 695 HB2 PHE 91 1HB PHE 91 1.596 -2.913 2.128 696 HB3 PHE 91 2HB PHE 91 1.926 -4.528 1.511 697 HD1 PHE 91 1HD PHE 91 0.119 -5.983 0.800 698 HD2 PHE 91 2HD PHE 91 -0.646 -2.045 2.223 699 HE1 PHE 91 1HE PHE 91 -2.154 -6.089 -0.137 700 HE2 PHE 91 2HE PHE 91 -2.920 -2.145 1.289 701 HZ PHE 91 HZ PHE 91 -3.677 -4.169 0.108 702 H GLY 92 H GLY 92 2.901 -6.358 4.315 703 HA2 GLY 92 1HA GLY 92 4.972 -4.608 5.394 704 HA3 GLY 92 2HA GLY 92 4.876 -6.352 5.591 705 H VAL 93 H VAL 93 6.647 -3.980 4.222 706 HA VAL 93 HA VAL 93 7.574 -5.742 2.046 707 HB VAL 93 HB VAL 93 7.611 -2.722 2.121 708 HG11 VAL 93 1HG1 VAL 93 8.976 -4.709 0.393 709 HG12 VAL 93 2HG1 VAL 93 8.306 -3.273 -0.384 710 HG13 VAL 93 3HG1 VAL 93 9.497 -3.104 0.906 711 HG21 VAL 93 1HG2 VAL 93 6.259 -3.303 -0.096 712 HG22 VAL 93 2HG2 VAL 93 5.850 -4.737 0.845 713 HG23 VAL 93 3HG2 VAL 93 5.469 -3.134 1.472 714 H THR 94 H THR 94 9.767 -6.029 1.789 715 HA THR 94 HA THR 94 11.572 -4.662 3.647 716 HB THR 94 HB THR 94 11.420 -7.670 3.366 717 HG1 THR 94 1HG THR 94 10.111 -7.421 5.007 718 HG21 THR 94 1HG2 THR 94 13.695 -6.211 3.752 719 HG22 THR 94 2HG2 THR 94 13.449 -7.862 4.322 720 HG23 THR 94 3HG2 THR 94 13.171 -6.503 5.410 721 H VAL 95 H VAL 95 13.042 -3.745 2.379 722 HA VAL 95 HA VAL 95 13.848 -5.079 -0.102 723 HB VAL 95 HB VAL 95 14.624 -2.301 0.777 724 HG11 VAL 95 1HG1 VAL 95 15.237 -1.932 -1.450 725 HG12 VAL 95 2HG1 VAL 95 15.837 -3.554 -1.100 726 HG13 VAL 95 3HG1 VAL 95 14.349 -3.343 -2.025 727 HG21 VAL 95 1HG2 VAL 95 12.218 -3.147 -0.835 728 HG22 VAL 95 2HG2 VAL 95 12.199 -2.421 0.772 729 HG23 VAL 95 3HG2 VAL 95 12.762 -1.484 -0.612 730 H GLN 96 H GLN 96 15.551 -6.377 0.044 731 HA GLN 96 HA GLN 96 17.696 -5.697 1.937 732 HB2 GLN 96 1HB GLN 96 16.789 -8.309 0.751 733 HB3 GLN 96 2HB GLN 96 18.374 -8.140 1.494 734 HG2 GLN 96 1HG GLN 96 17.443 -7.680 3.610 735 HG3 GLN 96 2HG GLN 96 15.834 -7.439 2.931 736 HE21 GLN 96 1HE2 GLN 96 14.490 -9.052 3.226 737 HE22 GLN 96 2HE2 GLN 96 14.913 -10.715 3.421 738 H ASP 97 H ASP 97 19.594 -5.040 1.180 739 HA ASP 97 HA ASP 97 20.051 -4.662 -1.586 740 HB2 ASP 97 1HB ASP 97 22.286 -3.901 -0.915 741 HB3 ASP 97 2HB ASP 97 21.042 -3.202 0.118 742 HA PRO 98 HA PRO 98 21.653 -8.601 -2.746 743 HB2 PRO 98 1HB PRO 98 22.935 -7.851 -5.019 744 HB3 PRO 98 2HB PRO 98 21.176 -7.982 -4.907 745 HG2 PRO 98 1HG PRO 98 22.909 -5.547 -4.730 746 HG3 PRO 98 2HG PRO 98 21.375 -5.768 -5.592 747 HD2 PRO 98 1HD PRO 98 21.532 -4.528 -3.190 748 HD3 PRO 98 2HD PRO 98 20.117 -5.481 -3.682 749 H SER 99 H SER 99 23.492 -9.771 -2.463 750 HA SER 99 HA SER 99 25.759 -8.423 -1.293 751 HB2 SER 99 1HB SER 99 25.276 -11.360 -1.850 752 HB3 SER 99 2HB SER 99 26.629 -10.711 -0.923 753 HG SER 99 HG SER 99 25.268 -11.000 0.673 754 H GLY 100 H GLY 100 27.292 -7.550 -2.514 755 HA2 GLY 100 1HA GLY 100 29.149 -8.577 -4.043 756 HA3 GLY 100 2HA GLY 100 27.811 -8.659 -5.178 757 HA PRO 101 HA PRO 101 29.849 -4.292 -4.775 758 HB2 PRO 101 1HB PRO 101 32.035 -4.514 -6.369 759 HB3 PRO 101 2HB PRO 101 32.087 -4.791 -4.624 760 HG2 PRO 101 1HG PRO 101 31.927 -6.781 -6.854 761 HG3 PRO 101 2HG PRO 101 32.915 -6.827 -5.382 762 HD2 PRO 101 1HD PRO 101 30.610 -8.226 -5.634 763 HD3 PRO 101 2HD PRO 101 31.165 -7.572 -4.080 764 H SER 102 H SER 102 30.017 -2.735 -6.551 765 HA SER 102 HA SER 102 28.074 -3.141 -8.526 766 HB2 SER 102 1HB SER 102 30.200 -1.062 -8.104 767 HB3 SER 102 2HB SER 102 29.225 -1.047 -9.574 768 HG SER 102 HG SER 102 27.683 -0.196 -8.450 769 H SER 103 H SER 103 28.348 -4.804 -9.916 770 HA SER 103 HA SER 103 29.335 -6.191 -11.458 771 HB2 SER 103 1HB SER 103 29.952 -5.042 -13.493 772 HB3 SER 103 2HB SER 103 28.597 -4.183 -12.760 773 HG SER 103 HG SER 103 30.297 -2.785 -13.469 774 H GLY 104 H GLY 104 30.970 -5.890 -9.190 775 HA2 GLY 104 1HA GLY 104 33.151 -7.103 -9.230 776 HA3 GLY 104 2HA GLY 104 33.662 -5.908 -10.412 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -36.737 -9.000 8.077 2 HA2 GLY 1 1HA GLY 1 -35.562 -9.287 5.510 3 HA3 GLY 1 2HA GLY 1 -36.292 -7.695 5.664 4 H SER 2 H SER 2 -33.559 -9.574 6.271 5 HA SER 2 HA SER 2 -32.497 -8.261 8.536 6 HB2 SER 2 1HB SER 2 -31.742 -10.472 7.424 7 HB3 SER 2 2HB SER 2 -30.792 -9.442 6.353 8 HG SER 2 HG SER 2 -29.515 -8.887 7.983 9 H SER 3 H SER 3 -30.703 -6.770 8.605 10 HA SER 3 HA SER 3 -31.107 -4.420 7.220 11 HB2 SER 3 1HB SER 3 -29.679 -4.872 9.327 12 HB3 SER 3 2HB SER 3 -28.368 -5.202 8.196 13 HG SER 3 HG SER 3 -29.082 -2.873 9.081 14 H GLY 4 H GLY 4 -28.706 -6.957 6.538 15 HA2 GLY 4 1HA GLY 4 -27.920 -7.620 4.446 16 HA3 GLY 4 2HA GLY 4 -28.784 -6.272 3.721 17 H SER 5 H SER 5 -27.817 -4.186 3.742 18 HA SER 5 HA SER 5 -25.225 -4.011 2.962 19 HB2 SER 5 1HB SER 5 -25.353 -1.665 3.262 20 HB3 SER 5 2HB SER 5 -27.016 -2.179 2.978 21 HG SER 5 HG SER 5 -27.220 -2.218 5.324 22 H SER 6 H SER 6 -23.270 -4.144 3.861 23 HA SER 6 HA SER 6 -23.113 -4.246 6.799 24 HB2 SER 6 1HB SER 6 -21.180 -5.450 4.806 25 HB3 SER 6 2HB SER 6 -21.180 -5.683 6.554 26 HG SER 6 HG SER 6 -23.387 -6.388 4.931 27 H GLY 7 H GLY 7 -22.710 -2.125 7.293 28 HA2 GLY 7 1HA GLY 7 -21.464 -0.220 7.588 29 HA3 GLY 7 2HA GLY 7 -20.071 -1.192 7.138 30 HA PRO 8 HA PRO 8 -20.997 2.112 3.905 31 HB2 PRO 8 1HB PRO 8 -18.690 3.509 4.210 32 HB3 PRO 8 2HB PRO 8 -20.155 3.860 5.135 33 HG2 PRO 8 1HG PRO 8 -17.734 2.297 5.944 34 HG3 PRO 8 2HG PRO 8 -18.657 3.491 6.874 35 HD2 PRO 8 1HD PRO 8 -18.962 0.823 7.221 36 HD3 PRO 8 2HD PRO 8 -20.298 1.972 7.435 37 H VAL 9 H VAL 9 -17.770 0.823 4.730 38 HA VAL 9 HA VAL 9 -17.574 -0.613 2.265 39 HB VAL 9 HB VAL 9 -17.071 1.593 1.377 40 HG11 VAL 9 1HG1 VAL 9 -15.124 2.864 2.161 41 HG12 VAL 9 2HG1 VAL 9 -16.340 2.680 3.426 42 HG13 VAL 9 3HG1 VAL 9 -14.883 1.686 3.451 43 HG21 VAL 9 1HG2 VAL 9 -14.459 1.009 0.939 44 HG22 VAL 9 2HG2 VAL 9 -15.069 -0.556 1.475 45 HG23 VAL 9 3HG2 VAL 9 -15.805 0.250 0.089 46 H HIS 10 H HIS 10 -16.169 -2.263 2.465 47 HA HIS 10 HA HIS 10 -14.114 -2.122 4.556 48 HB2 HIS 10 1HB HIS 10 -14.680 -4.524 5.129 49 HB3 HIS 10 2HB HIS 10 -15.859 -3.321 5.642 50 HD1 HIS 10 1HD HIS 10 -18.041 -3.133 4.076 51 HD2 HIS 10 2HD HIS 10 -15.683 -6.512 3.552 52 HE1 HIS 10 1HE HIS 10 -19.488 -4.777 2.842 53 HE2 HIS 10 2HE HIS 10 -18.069 -6.845 2.611 54 H ILE 11 H ILE 11 -12.184 -2.866 3.928 55 HA ILE 11 HA ILE 11 -11.569 -3.442 1.295 56 HB ILE 11 HB ILE 11 -10.074 -4.257 3.789 57 HG12 ILE 11 1HG1 ILE 11 -9.577 -1.967 1.878 58 HG13 ILE 11 2HG1 ILE 11 -10.454 -1.808 3.395 59 HG21 ILE 11 1HG2 ILE 11 -9.274 -4.359 0.892 60 HG22 ILE 11 2HG2 ILE 11 -8.104 -4.358 2.210 61 HG23 ILE 11 3HG2 ILE 11 -9.273 -5.670 2.071 62 HD11 ILE 11 1HD1 ILE 11 -8.225 -1.074 3.752 63 HD12 ILE 11 2HD1 ILE 11 -8.410 -2.629 4.565 64 HD13 ILE 11 3HD1 ILE 11 -7.564 -2.536 3.020 65 H LEU 12 H LEU 12 -11.024 -5.353 0.185 66 HA LEU 12 HA LEU 12 -12.267 -7.782 1.296 67 HB2 LEU 12 1HB LEU 12 -11.836 -7.383 -1.630 68 HB3 LEU 12 2HB LEU 12 -13.027 -8.383 -0.801 69 HG LEU 12 HG LEU 12 -13.107 -5.370 -0.927 70 HD11 LEU 12 1HD1 LEU 12 -15.254 -6.262 -2.332 71 HD12 LEU 12 2HD1 LEU 12 -14.025 -7.442 -2.783 72 HD13 LEU 12 3HD1 LEU 12 -13.734 -5.723 -3.048 73 HD21 LEU 12 1HD2 LEU 12 -14.261 -6.068 1.003 74 HD22 LEU 12 2HD2 LEU 12 -14.963 -7.460 0.179 75 HD23 LEU 12 3HD2 LEU 12 -15.504 -5.830 -0.226 76 H SER 13 H SER 13 -9.522 -6.463 -0.452 77 HA SER 13 HA SER 13 -7.928 -8.758 0.353 78 HB2 SER 13 1HB SER 13 -8.979 -9.049 -2.043 79 HB3 SER 13 2HB SER 13 -7.700 -7.931 -2.518 80 HG SER 13 HG SER 13 -7.198 -10.258 -2.588 81 HA PRO 14 HA PRO 14 -5.956 -9.419 0.477 82 HB2 PRO 14 1HB PRO 14 -4.365 -9.127 2.656 83 HB3 PRO 14 2HB PRO 14 -3.741 -9.114 1.003 84 HG2 PRO 14 1HG PRO 14 -4.353 -6.811 2.814 85 HG3 PRO 14 2HG PRO 14 -2.958 -7.055 1.748 86 HD2 PRO 14 1HD PRO 14 -5.046 -5.468 1.075 87 HD3 PRO 14 2HD PRO 14 -4.115 -6.383 -0.129 88 H GLN 15 H GLN 15 -6.190 -10.585 2.694 89 HA GLN 15 HA GLN 15 -8.566 -9.464 3.977 90 HB2 GLN 15 1HB GLN 15 -7.386 -12.243 3.984 91 HB3 GLN 15 2HB GLN 15 -8.785 -11.778 4.943 92 HG2 GLN 15 1HG GLN 15 -10.079 -11.349 2.997 93 HG3 GLN 15 2HG GLN 15 -8.667 -11.505 1.953 94 HE21 GLN 15 1HE2 GLN 15 -10.803 -13.266 4.122 95 HE22 GLN 15 2HE2 GLN 15 -10.566 -14.815 3.396 96 H ASP 16 H ASP 16 -5.330 -10.636 4.724 97 HA ASP 16 HA ASP 16 -5.481 -9.245 7.295 98 HB2 ASP 16 1HB ASP 16 -4.216 -11.202 8.328 99 HB3 ASP 16 2HB ASP 16 -5.928 -11.460 7.999 100 H LYS 17 H LYS 17 -3.303 -8.963 8.284 101 HA LYS 17 HA LYS 17 -1.555 -7.566 6.829 102 HB2 LYS 17 1HB LYS 17 -1.210 -7.762 9.183 103 HB3 LYS 17 2HB LYS 17 -0.929 -9.494 9.064 104 HG2 LYS 17 1HG LYS 17 1.217 -9.241 8.348 105 HG3 LYS 17 2HG LYS 17 0.893 -7.690 7.571 106 HD2 LYS 17 1HD LYS 17 0.681 -6.670 9.830 107 HD3 LYS 17 2HD LYS 17 1.165 -8.216 10.530 108 HE2 LYS 17 1HE LYS 17 3.218 -7.991 8.957 109 HE3 LYS 17 2HE LYS 17 2.771 -6.286 8.901 110 HZ1 LYS 17 1HZ LYS 17 3.516 -5.952 10.962 111 HZ2 LYS 17 2HZ LYS 17 4.340 -7.418 10.781 112 HZ3 LYS 17 3HZ LYS 17 2.839 -7.382 11.562 113 H VAL 18 H VAL 18 -0.150 -7.850 5.214 114 HA VAL 18 HA VAL 18 0.434 -10.612 4.375 115 HB VAL 18 HB VAL 18 0.739 -9.802 2.133 116 HG11 VAL 18 1HG1 VAL 18 -1.470 -9.399 1.590 117 HG12 VAL 18 2HG1 VAL 18 -1.616 -10.117 3.196 118 HG13 VAL 18 3HG1 VAL 18 -1.736 -8.368 2.995 119 HG21 VAL 18 1HG2 VAL 18 1.164 -7.678 1.564 120 HG22 VAL 18 2HG2 VAL 18 -0.129 -7.048 2.584 121 HG23 VAL 18 3HG2 VAL 18 1.445 -7.422 3.287 122 H SER 19 H SER 19 2.543 -11.070 3.514 123 HA SER 19 HA SER 19 4.639 -9.235 4.474 124 HB2 SER 19 1HB SER 19 4.192 -11.472 5.785 125 HB3 SER 19 2HB SER 19 5.090 -12.197 4.451 126 HG SER 19 HG SER 19 6.001 -10.756 6.555 127 H LEU 20 H LEU 20 6.070 -8.645 2.983 128 HA LEU 20 HA LEU 20 6.595 -10.408 0.705 129 HB2 LEU 20 1HB LEU 20 5.994 -7.470 0.413 130 HB3 LEU 20 2HB LEU 20 6.377 -8.603 -0.882 131 HG LEU 20 HG LEU 20 3.949 -9.012 0.825 132 HD11 LEU 20 1HD1 LEU 20 3.588 -6.797 0.136 133 HD12 LEU 20 2HD1 LEU 20 2.717 -7.790 -1.032 134 HD13 LEU 20 3HD1 LEU 20 4.279 -7.091 -1.460 135 HD21 LEU 20 1HD2 LEU 20 3.498 -9.655 -1.851 136 HD22 LEU 20 2HD2 LEU 20 3.787 -10.774 -0.519 137 HD23 LEU 20 3HD2 LEU 20 5.136 -10.215 -1.510 138 H THR 21 H THR 21 8.579 -9.941 -0.409 139 HA THR 21 HA THR 21 10.418 -8.120 0.962 140 HB THR 21 HB THR 21 11.168 -10.980 0.335 141 HG1 THR 21 1HG THR 21 10.670 -11.465 2.360 142 HG21 THR 21 1HG2 THR 21 12.862 -8.948 0.443 143 HG22 THR 21 2HG2 THR 21 13.263 -10.516 1.144 144 HG23 THR 21 3HG2 THR 21 12.693 -9.207 2.179 145 H PHE 22 H PHE 22 11.781 -7.078 -0.379 146 HA PHE 22 HA PHE 22 12.103 -8.094 -3.116 147 HB2 PHE 22 1HB PHE 22 11.470 -5.226 -2.385 148 HB3 PHE 22 2HB PHE 22 11.826 -5.815 -4.006 149 HD1 PHE 22 1HD PHE 22 9.358 -5.735 -1.307 150 HD2 PHE 22 2HD PHE 22 10.200 -7.071 -5.260 151 HE1 PHE 22 1HE PHE 22 6.970 -6.220 -1.648 152 HE2 PHE 22 2HE PHE 22 7.813 -7.556 -5.607 153 HZ PHE 22 HZ PHE 22 6.194 -7.130 -3.801 154 H THR 23 H THR 23 13.908 -6.973 -4.280 155 HA THR 23 HA THR 23 16.134 -6.552 -2.410 156 HB THR 23 HB THR 23 16.216 -7.264 -5.349 157 HG1 THR 23 1HG THR 23 17.137 -8.979 -3.340 158 HG21 THR 23 1HG2 THR 23 18.622 -7.744 -4.856 159 HG22 THR 23 2HG2 THR 23 18.400 -6.969 -3.288 160 HG23 THR 23 3HG2 THR 23 18.194 -6.036 -4.770 161 H THR 24 H THR 24 17.627 -4.861 -2.742 162 HA THR 24 HA THR 24 16.584 -2.364 -3.288 163 HB THR 24 HB THR 24 19.487 -3.173 -3.547 164 HG1 THR 24 1HG THR 24 19.574 -2.544 -1.340 165 HG21 THR 24 1HG2 THR 24 18.672 -0.885 -4.440 166 HG22 THR 24 2HG2 THR 24 20.060 -0.921 -3.352 167 HG23 THR 24 3HG2 THR 24 18.469 -0.471 -2.738 168 H SER 25 H SER 25 16.623 -0.964 -5.028 169 HA SER 25 HA SER 25 16.577 -0.305 -7.206 170 HB2 SER 25 1HB SER 25 18.704 -2.436 -7.523 171 HB3 SER 25 2HB SER 25 18.289 -1.234 -8.745 172 HG SER 25 HG SER 25 19.536 -0.876 -6.247 173 H GLU 26 H GLU 26 14.521 -1.874 -6.510 174 HA GLU 26 HA GLU 26 14.065 -3.451 -8.943 175 HB2 GLU 26 1HB GLU 26 13.558 -4.317 -6.104 176 HB3 GLU 26 2HB GLU 26 12.705 -5.039 -7.461 177 HG2 GLU 26 1HG GLU 26 15.163 -5.348 -8.377 178 HG3 GLU 26 2HG GLU 26 15.549 -5.279 -6.659 179 H ARG 27 H ARG 27 11.577 -4.105 -8.917 180 HA ARG 27 HA ARG 27 10.128 -1.583 -8.515 181 HB2 ARG 27 1HB ARG 27 10.258 -2.599 -10.817 182 HB3 ARG 27 2HB ARG 27 9.297 -3.941 -10.209 183 HG2 ARG 27 1HG ARG 27 7.668 -2.007 -9.479 184 HG3 ARG 27 2HG ARG 27 8.502 -1.134 -10.766 185 HD2 ARG 27 1HD ARG 27 7.859 -2.739 -12.390 186 HD3 ARG 27 2HD ARG 27 7.298 -3.863 -11.154 187 HE ARG 27 HE ARG 27 5.919 -1.326 -11.207 188 HH11 ARG 27 2HH1 ARG 27 6.011 -4.606 -12.369 189 HH12 ARG 27 1HH1 ARG 27 4.323 -4.655 -12.756 190 HH21 ARG 27 2HH2 ARG 27 3.695 -1.377 -11.712 191 HH22 ARG 27 1HH2 ARG 27 3.007 -2.817 -12.383 192 H VAL 28 H VAL 28 8.879 -1.472 -6.780 193 HA VAL 28 HA VAL 28 7.688 -3.953 -5.729 194 HB VAL 28 HB VAL 28 8.316 -1.368 -4.299 195 HG11 VAL 28 1HG1 VAL 28 6.924 -1.945 -2.665 196 HG12 VAL 28 2HG1 VAL 28 6.303 -3.222 -3.714 197 HG13 VAL 28 3HG1 VAL 28 7.613 -3.566 -2.583 198 HG21 VAL 28 1HG2 VAL 28 9.664 -3.197 -2.933 199 HG22 VAL 28 2HG2 VAL 28 9.640 -4.020 -4.492 200 HG23 VAL 28 3HG2 VAL 28 10.345 -2.409 -4.356 201 H VAL 29 H VAL 29 5.631 -4.176 -6.301 202 HA VAL 29 HA VAL 29 3.886 -1.805 -6.199 203 HB VAL 29 HB VAL 29 4.033 -2.176 -8.501 204 HG11 VAL 29 1HG1 VAL 29 5.174 -4.101 -8.916 205 HG12 VAL 29 2HG1 VAL 29 4.257 -5.033 -7.731 206 HG13 VAL 29 3HG1 VAL 29 3.548 -4.661 -9.303 207 HG21 VAL 29 1HG2 VAL 29 1.847 -2.348 -8.965 208 HG22 VAL 29 2HG2 VAL 29 1.733 -3.972 -8.286 209 HG23 VAL 29 3HG2 VAL 29 1.648 -2.565 -7.226 210 H LEU 30 H LEU 30 2.290 -2.020 -4.785 211 HA LEU 30 HA LEU 30 1.655 -4.664 -3.732 212 HB2 LEU 30 1HB LEU 30 0.792 -1.913 -2.850 213 HB3 LEU 30 2HB LEU 30 0.372 -3.417 -2.032 214 HG LEU 30 HG LEU 30 3.149 -2.272 -2.324 215 HD11 LEU 30 1HD1 LEU 30 1.291 -1.318 -0.678 216 HD12 LEU 30 2HD1 LEU 30 2.988 -1.447 -0.218 217 HD13 LEU 30 3HD1 LEU 30 1.838 -2.680 0.300 218 HD21 LEU 30 1HD2 LEU 30 2.192 -4.926 -1.677 219 HD22 LEU 30 2HD2 LEU 30 3.135 -4.230 -0.360 220 HD23 LEU 30 3HD2 LEU 30 3.836 -4.360 -1.974 221 H THR 31 H THR 31 -0.882 -4.566 -2.960 222 HA THR 31 HA THR 31 -2.600 -3.665 -5.111 223 HB THR 31 HB THR 31 -2.543 -6.614 -4.471 224 HG1 THR 31 1HG THR 31 -1.743 -6.399 -6.886 225 HG21 THR 31 1HG2 THR 31 -3.742 -6.513 -6.811 226 HG22 THR 31 2HG2 THR 31 -4.095 -4.857 -6.317 227 HG23 THR 31 3HG2 THR 31 -4.641 -6.209 -5.325 228 H CYS 32 H CYS 32 -4.621 -3.238 -4.411 229 HA CYS 32 HA CYS 32 -5.609 -4.474 -1.965 230 HB2 CYS 32 1HB CYS 32 -4.485 -2.537 -1.080 231 HB3 CYS 32 2HB CYS 32 -5.222 -1.495 -2.291 232 HG CYS 32 HG CYS 32 -6.840 -3.030 0.304 233 H GLU 33 H GLU 33 -7.818 -4.599 -1.855 234 HA GLU 33 HA GLU 33 -9.312 -3.399 -4.093 235 HB2 GLU 33 1HB GLU 33 -8.966 -5.871 -4.318 236 HB3 GLU 33 2HB GLU 33 -9.876 -6.084 -2.829 237 HG2 GLU 33 1HG GLU 33 -11.873 -5.509 -3.802 238 HG3 GLU 33 2HG GLU 33 -11.104 -4.563 -5.074 239 H LEU 34 H LEU 34 -11.516 -2.868 -3.686 240 HA LEU 34 HA LEU 34 -12.242 -2.711 -0.839 241 HB2 LEU 34 1HB LEU 34 -12.647 -0.534 -2.885 242 HB3 LEU 34 2HB LEU 34 -13.145 -0.481 -1.195 243 HG LEU 34 HG LEU 34 -10.276 -0.649 -2.111 244 HD11 LEU 34 1HD1 LEU 34 -10.696 1.467 -2.792 245 HD12 LEU 34 2HD1 LEU 34 -10.478 1.805 -1.075 246 HD13 LEU 34 3HD1 LEU 34 -12.102 1.647 -1.743 247 HD21 LEU 34 1HD2 LEU 34 -11.117 0.352 0.553 248 HD22 LEU 34 2HD2 LEU 34 -9.663 -0.527 0.077 249 HD23 LEU 34 3HD2 LEU 34 -11.192 -1.387 0.267 250 H SER 35 H SER 35 -14.637 -2.057 -0.627 251 HA SER 35 HA SER 35 -16.155 -3.898 -2.289 252 HB2 SER 35 1HB SER 35 -17.828 -3.826 -0.625 253 HB3 SER 35 2HB SER 35 -16.312 -3.747 0.273 254 HG SER 35 HG SER 35 -16.618 -1.586 0.598 255 H ARG 36 H ARG 36 -15.786 -0.479 -1.763 256 HA ARG 36 HA ARG 36 -18.073 0.094 -3.508 257 HB2 ARG 36 1HB ARG 36 -16.426 1.873 -1.706 258 HB3 ARG 36 2HB ARG 36 -17.678 2.470 -2.788 259 HG2 ARG 36 1HG ARG 36 -19.219 0.807 -1.561 260 HG3 ARG 36 2HG ARG 36 -17.956 0.793 -0.329 261 HD2 ARG 36 1HD ARG 36 -19.391 2.463 0.409 262 HD3 ARG 36 2HD ARG 36 -18.134 3.363 -0.438 263 HE ARG 36 HE ARG 36 -20.287 2.727 -2.176 264 HH11 ARG 36 2HH1 ARG 36 -19.346 4.876 0.395 265 HH12 ARG 36 1HH1 ARG 36 -20.413 6.147 -0.101 266 HH21 ARG 36 2HH2 ARG 36 -21.697 4.393 -2.839 267 HH22 ARG 36 1HH2 ARG 36 -21.751 5.871 -1.940 268 H VAL 37 H VAL 37 -17.862 1.291 -5.393 269 HA VAL 37 HA VAL 37 -15.182 1.247 -6.563 270 HB VAL 37 HB VAL 37 -17.883 1.655 -7.853 271 HG11 VAL 37 1HG1 VAL 37 -16.658 2.705 -9.424 272 HG12 VAL 37 2HG1 VAL 37 -15.138 2.015 -8.850 273 HG13 VAL 37 3HG1 VAL 37 -16.203 1.066 -9.888 274 HG21 VAL 37 1HG2 VAL 37 -18.003 -0.564 -7.819 275 HG22 VAL 37 2HG2 VAL 37 -16.588 -0.612 -8.872 276 HG23 VAL 37 3HG2 VAL 37 -16.388 -0.689 -7.121 277 H ASP 38 H ASP 38 -14.157 3.039 -7.363 278 HA ASP 38 HA ASP 38 -13.574 5.228 -7.571 279 HB2 ASP 38 1HB ASP 38 -16.540 5.808 -7.555 280 HB3 ASP 38 2HB ASP 38 -15.261 6.818 -8.224 281 H PHE 39 H PHE 39 -13.759 4.095 -4.965 282 HA PHE 39 HA PHE 39 -14.820 6.238 -3.289 283 HB2 PHE 39 1HB PHE 39 -15.106 3.701 -2.838 284 HB3 PHE 39 2HB PHE 39 -13.444 3.770 -2.263 285 HD1 PHE 39 2HD PHE 39 -16.845 5.108 -1.721 286 HD2 PHE 39 1HD PHE 39 -12.927 4.616 -0.132 287 HE1 PHE 39 2HE PHE 39 -17.643 5.876 0.476 288 HE2 PHE 39 1HE PHE 39 -13.719 5.382 2.068 289 HZ PHE 39 HZ PHE 39 -16.079 6.015 2.374 290 HA PRO 40 HA PRO 40 -10.889 8.175 -2.812 291 HB2 PRO 40 1HB PRO 40 -11.400 9.553 -0.529 292 HB3 PRO 40 2HB PRO 40 -12.061 10.019 -2.101 293 HG2 PRO 40 1HG PRO 40 -13.361 8.497 0.126 294 HG3 PRO 40 2HG PRO 40 -14.030 9.793 -0.883 295 HD2 PRO 40 1HD PRO 40 -14.574 7.177 -1.321 296 HD3 PRO 40 2HD PRO 40 -14.482 8.366 -2.636 297 H ALA 41 H ALA 41 -8.992 7.973 -1.643 298 HA ALA 41 HA ALA 41 -8.927 6.701 0.934 299 HB1 ALA 41 1HB ALA 41 -7.864 4.681 0.371 300 HB2 ALA 41 2HB ALA 41 -9.224 4.816 -0.744 301 HB3 ALA 41 3HB ALA 41 -7.592 5.192 -1.295 302 H THR 42 H THR 42 -6.521 6.176 1.493 303 HA THR 42 HA THR 42 -4.627 7.933 0.158 304 HB THR 42 HB THR 42 -5.261 8.287 3.094 305 HG1 THR 42 1HG THR 42 -5.931 10.401 2.347 306 HG21 THR 42 1HG2 THR 42 -3.066 8.881 3.067 307 HG22 THR 42 2HG2 THR 42 -3.734 10.395 2.458 308 HG23 THR 42 3HG2 THR 42 -3.065 9.211 1.336 309 H TRP 43 H TRP 43 -2.491 7.376 0.499 310 HA TRP 43 HA TRP 43 -2.090 4.786 1.802 311 HB2 TRP 43 1HB TRP 43 -0.512 6.334 -0.245 312 HB3 TRP 43 2HB TRP 43 0.175 4.948 0.598 313 HD1 TRP 43 HD TRP 43 -2.366 5.865 -2.086 314 HE1 TRP 43 1HE TRP 43 -3.108 3.719 -3.299 315 HE3 TRP 43 3HE TRP 43 -0.146 2.405 0.953 316 HZ2 TRP 43 2HZ TRP 43 -2.795 0.930 -3.006 317 HZ3 TRP 43 3HZ TRP 43 -0.416 0.019 0.418 318 HH2 TRP 43 HH TRP 43 -1.714 -0.702 -1.520 319 H TYR 44 H TYR 44 -1.090 4.618 3.695 320 HA TYR 44 HA TYR 44 0.580 6.870 4.602 321 HB2 TYR 44 1HB TYR 44 -1.359 5.185 6.191 322 HB3 TYR 44 2HB TYR 44 -0.165 6.245 6.933 323 HD1 TYR 44 2HD TYR 44 -0.275 8.730 6.395 324 HD2 TYR 44 1HD TYR 44 -3.425 6.027 5.461 325 HE1 TYR 44 2HE TYR 44 -1.836 10.621 6.210 326 HE2 TYR 44 1HE TYR 44 -4.994 7.911 5.272 327 HH TYR 44 HH TYR 44 -5.073 10.349 6.287 328 H LYS 45 H LYS 45 2.537 6.397 5.452 329 HA LYS 45 HA LYS 45 3.224 3.549 5.771 330 HB2 LYS 45 1HB LYS 45 4.197 4.637 3.718 331 HB3 LYS 45 2HB LYS 45 5.097 5.705 4.786 332 HG2 LYS 45 1HG LYS 45 6.026 3.566 5.837 333 HG3 LYS 45 2HG LYS 45 5.396 2.749 4.405 334 HD2 LYS 45 1HD LYS 45 6.843 3.876 2.974 335 HD3 LYS 45 2HD LYS 45 7.136 5.173 4.135 336 HE2 LYS 45 1HE LYS 45 7.989 2.346 4.678 337 HE3 LYS 45 2HE LYS 45 9.000 3.453 3.750 338 HZ1 LYS 45 1HZ LYS 45 9.426 4.736 5.566 339 HZ2 LYS 45 2HZ LYS 45 9.243 3.241 6.334 340 HZ3 LYS 45 3HZ LYS 45 7.971 4.355 6.340 341 H ASP 46 H ASP 46 4.188 2.980 7.628 342 HA ASP 46 HA ASP 46 4.804 3.159 9.823 343 HB2 ASP 46 1HB ASP 46 6.893 3.752 8.492 344 HB3 ASP 46 2HB ASP 46 6.533 5.436 8.861 345 H GLY 47 H GLY 47 2.445 4.600 9.216 346 HA2 GLY 47 1HA GLY 47 1.024 6.085 10.241 347 HA3 GLY 47 2HA GLY 47 2.211 6.197 11.532 348 H GLN 48 H GLN 48 2.631 7.049 8.124 349 HA GLN 48 HA GLN 48 2.538 9.883 8.741 350 HB2 GLN 48 1HB GLN 48 5.059 8.557 7.729 351 HB3 GLN 48 2HB GLN 48 4.799 10.294 7.812 352 HG2 GLN 48 1HG GLN 48 4.326 9.809 10.332 353 HG3 GLN 48 2HG GLN 48 5.239 8.335 10.011 354 HE21 GLN 48 1HE2 GLN 48 5.439 11.532 10.899 355 HE22 GLN 48 2HE2 GLN 48 7.129 11.781 10.641 356 H LYS 49 H LYS 49 1.558 10.892 7.124 357 HA LYS 49 HA LYS 49 0.579 9.731 4.848 358 HB2 LYS 49 1HB LYS 49 -0.060 11.972 5.744 359 HB3 LYS 49 2HB LYS 49 1.430 12.623 5.074 360 HG2 LYS 49 1HG LYS 49 0.572 11.703 2.830 361 HG3 LYS 49 2HG LYS 49 -0.993 11.608 3.641 362 HD2 LYS 49 1HD LYS 49 -1.181 13.893 3.837 363 HD3 LYS 49 2HD LYS 49 0.566 14.146 3.805 364 HE2 LYS 49 1HE LYS 49 -0.224 14.960 1.743 365 HE3 LYS 49 2HE LYS 49 0.483 13.386 1.385 366 HZ1 LYS 49 1HZ LYS 49 -1.647 13.690 0.278 367 HZ2 LYS 49 2HZ LYS 49 -2.413 13.921 1.768 368 HZ3 LYS 49 3HZ LYS 49 -1.725 12.421 1.395 369 H VAL 50 H VAL 50 1.237 9.425 2.761 370 HA VAL 50 HA VAL 50 4.108 9.493 2.306 371 HB VAL 50 HB VAL 50 3.668 8.181 0.314 372 HG11 VAL 50 1HG1 VAL 50 3.800 6.574 1.873 373 HG12 VAL 50 2HG1 VAL 50 2.682 7.401 2.959 374 HG13 VAL 50 3HG1 VAL 50 2.060 6.418 1.633 375 HG21 VAL 50 1HG2 VAL 50 1.761 8.759 -0.744 376 HG22 VAL 50 2HG2 VAL 50 1.069 7.462 0.231 377 HG23 VAL 50 3HG2 VAL 50 0.917 9.138 0.758 378 H GLU 51 H GLU 51 5.073 10.446 0.454 379 HA GLU 51 HA GLU 51 3.574 12.768 -0.554 380 HB2 GLU 51 1HB GLU 51 6.484 12.291 -0.013 381 HB3 GLU 51 2HB GLU 51 6.000 13.512 -1.182 382 HG2 GLU 51 1HG GLU 51 4.718 14.669 0.517 383 HG3 GLU 51 2HG GLU 51 5.121 13.421 1.695 384 H GLU 52 H GLU 52 2.598 12.029 -2.377 385 HA GLU 52 HA GLU 52 3.520 10.168 -4.190 386 HB2 GLU 52 1HB GLU 52 1.767 12.587 -4.616 387 HB3 GLU 52 2HB GLU 52 2.054 11.382 -5.863 388 HG2 GLU 52 1HG GLU 52 0.138 10.544 -5.012 389 HG3 GLU 52 2HG GLU 52 1.278 9.745 -3.930 390 H SER 53 H SER 53 5.163 10.105 -5.565 391 HA SER 53 HA SER 53 6.022 12.406 -7.045 392 HB2 SER 53 1HB SER 53 8.173 12.727 -6.139 393 HB3 SER 53 2HB SER 53 7.131 12.590 -4.724 394 HG SER 53 HG SER 53 7.745 10.230 -4.912 395 H GLU 54 H GLU 54 8.135 11.804 -8.289 396 HA GLU 54 HA GLU 54 7.621 9.702 -9.978 397 HB2 GLU 54 1HB GLU 54 9.866 9.937 -10.806 398 HB3 GLU 54 2HB GLU 54 9.261 11.533 -10.387 399 HG2 GLU 54 1HG GLU 54 10.454 11.225 -8.162 400 HG3 GLU 54 2HG GLU 54 11.266 9.857 -8.920 401 H LEU 55 H LEU 55 9.489 9.686 -6.991 402 HA LEU 55 HA LEU 55 10.404 6.993 -7.288 403 HB2 LEU 55 1HB LEU 55 10.287 8.835 -4.908 404 HB3 LEU 55 2HB LEU 55 11.017 7.232 -4.875 405 HG LEU 55 HG LEU 55 11.946 9.511 -6.619 406 HD11 LEU 55 1HD1 LEU 55 13.208 8.422 -4.110 407 HD12 LEU 55 2HD1 LEU 55 12.269 9.912 -4.191 408 HD13 LEU 55 3HD1 LEU 55 13.777 9.771 -5.094 409 HD21 LEU 55 1HD2 LEU 55 13.237 6.857 -6.000 410 HD22 LEU 55 2HD2 LEU 55 13.865 8.116 -7.065 411 HD23 LEU 55 3HD2 LEU 55 12.392 7.246 -7.499 412 H LEU 56 H LEU 56 7.513 8.470 -6.159 413 HA LEU 56 HA LEU 56 6.541 5.839 -5.268 414 HB2 LEU 56 1HB LEU 56 7.005 7.526 -3.411 415 HB3 LEU 56 2HB LEU 56 5.634 8.430 -4.048 416 HG LEU 56 HG LEU 56 5.210 5.571 -3.352 417 HD11 LEU 56 1HD1 LEU 56 5.807 5.779 -1.229 418 HD12 LEU 56 2HD1 LEU 56 4.620 7.070 -1.045 419 HD13 LEU 56 3HD1 LEU 56 6.281 7.458 -1.491 420 HD21 LEU 56 1HD2 LEU 56 3.500 7.990 -2.830 421 HD22 LEU 56 2HD2 LEU 56 3.010 6.297 -2.882 422 HD23 LEU 56 3HD2 LEU 56 3.490 7.122 -4.365 423 H VAL 57 H VAL 57 5.202 5.228 -6.847 424 HA VAL 57 HA VAL 57 3.411 7.216 -8.053 425 HB VAL 57 HB VAL 57 3.963 4.394 -8.978 426 HG11 VAL 57 1HG1 VAL 57 3.104 5.757 -11.149 427 HG12 VAL 57 2HG1 VAL 57 2.052 4.805 -10.099 428 HG13 VAL 57 3HG1 VAL 57 2.175 6.551 -9.878 429 HG21 VAL 57 1HG2 VAL 57 5.520 6.811 -9.240 430 HG22 VAL 57 2HG2 VAL 57 5.921 5.160 -9.712 431 HG23 VAL 57 3HG2 VAL 57 5.022 6.199 -10.817 432 H VAL 58 H VAL 58 1.279 7.195 -7.695 433 HA VAL 58 HA VAL 58 0.130 4.862 -6.305 434 HB VAL 58 HB VAL 58 -0.599 7.769 -5.915 435 HG11 VAL 58 1HG1 VAL 58 -1.915 5.234 -5.138 436 HG12 VAL 58 2HG1 VAL 58 -1.867 6.517 -3.928 437 HG13 VAL 58 3HG1 VAL 58 -2.614 6.812 -5.498 438 HG21 VAL 58 1HG2 VAL 58 1.186 5.906 -4.497 439 HG22 VAL 58 2HG2 VAL 58 1.204 7.669 -4.564 440 HG23 VAL 58 3HG2 VAL 58 0.094 6.839 -3.473 441 H LYS 59 H LYS 59 -1.096 3.818 -7.735 442 HA LYS 59 HA LYS 59 -2.638 5.348 -9.702 443 HB2 LYS 59 1HB LYS 59 -2.158 2.367 -9.539 444 HB3 LYS 59 2HB LYS 59 -2.941 3.221 -10.862 445 HG2 LYS 59 1HG LYS 59 -0.182 4.020 -10.101 446 HG3 LYS 59 2HG LYS 59 -0.414 2.512 -10.988 447 HD2 LYS 59 1HD LYS 59 -1.879 3.970 -12.564 448 HD3 LYS 59 2HD LYS 59 -1.009 5.322 -11.834 449 HE2 LYS 59 1HE LYS 59 0.138 4.680 -13.836 450 HE3 LYS 59 2HE LYS 59 1.124 4.200 -12.455 451 HZ1 LYS 59 1HZ LYS 59 0.748 2.551 -14.390 452 HZ2 LYS 59 2HZ LYS 59 -0.749 2.273 -13.653 453 HZ3 LYS 59 3HZ LYS 59 0.681 1.984 -12.797 454 H MET 60 H MET 60 -4.865 5.105 -9.941 455 HA MET 60 HA MET 60 -6.239 3.739 -7.722 456 HB2 MET 60 1HB MET 60 -6.398 6.090 -7.293 457 HB3 MET 60 2HB MET 60 -6.853 6.423 -8.958 458 HG2 MET 60 1HG MET 60 -8.881 4.882 -8.418 459 HG3 MET 60 2HG MET 60 -8.478 5.266 -6.746 460 HE1 MET 60 1HE MET 60 -11.234 7.521 -9.240 461 HE2 MET 60 2HE MET 60 -10.480 5.964 -9.584 462 HE3 MET 60 3HE MET 60 -11.436 6.176 -8.117 463 H ASP 61 H ASP 61 -8.217 2.755 -8.188 464 HA ASP 61 HA ASP 61 -9.371 2.877 -10.813 465 HB2 ASP 61 1HB ASP 61 -7.590 0.623 -10.035 466 HB3 ASP 61 2HB ASP 61 -9.067 0.225 -10.908 467 H GLY 62 H GLY 62 -11.388 1.780 -10.957 468 HA2 GLY 62 1HA GLY 62 -13.138 1.959 -8.946 469 HA3 GLY 62 2HA GLY 62 -13.261 0.670 -10.135 470 H ARG 63 H ARG 63 -13.286 1.243 -6.937 471 HA ARG 63 HA ARG 63 -12.629 0.080 -5.046 472 HB2 ARG 63 1HB ARG 63 -13.612 -2.216 -5.080 473 HB3 ARG 63 2HB ARG 63 -14.714 -0.959 -5.627 474 HG2 ARG 63 1HG ARG 63 -14.650 -1.669 -7.819 475 HG3 ARG 63 2HG ARG 63 -13.096 -2.481 -7.619 476 HD2 ARG 63 1HD ARG 63 -14.555 -4.266 -7.707 477 HD3 ARG 63 2HD ARG 63 -14.409 -4.003 -5.969 478 HE ARG 63 HE ARG 63 -16.550 -2.511 -6.581 479 HH11 ARG 63 2HH1 ARG 63 -15.694 -5.788 -7.385 480 HH12 ARG 63 1HH1 ARG 63 -17.336 -6.337 -7.458 481 HH21 ARG 63 2HH2 ARG 63 -18.716 -3.222 -6.674 482 HH22 ARG 63 1HH2 ARG 63 -19.054 -4.876 -7.054 483 H LYS 64 H LYS 64 -10.388 0.389 -6.646 484 HA LYS 64 HA LYS 64 -8.835 -1.898 -5.813 485 HB2 LYS 64 1HB LYS 64 -9.135 -1.193 -8.735 486 HB3 LYS 64 2HB LYS 64 -7.826 -2.187 -8.108 487 HG2 LYS 64 1HG LYS 64 -9.445 -3.824 -7.303 488 HG3 LYS 64 2HG LYS 64 -10.764 -2.824 -7.914 489 HD2 LYS 64 1HD LYS 64 -10.290 -3.306 -10.113 490 HD3 LYS 64 2HD LYS 64 -8.590 -3.646 -9.783 491 HE2 LYS 64 1HE LYS 64 -9.789 -5.690 -10.340 492 HE3 LYS 64 2HE LYS 64 -9.226 -5.731 -8.670 493 HZ1 LYS 64 1HZ LYS 64 -11.718 -4.642 -8.504 494 HZ2 LYS 64 2HZ LYS 64 -11.311 -6.246 -8.154 495 HZ3 LYS 64 3HZ LYS 64 -11.896 -5.838 -9.688 496 H HIS 65 H HIS 65 -7.172 -0.987 -4.816 497 HA HIS 65 HA HIS 65 -5.856 1.315 -6.092 498 HB2 HIS 65 1HB HIS 65 -6.441 0.947 -3.148 499 HB3 HIS 65 2HB HIS 65 -5.392 2.201 -3.801 500 HD1 HIS 65 1HD HIS 65 -6.496 4.340 -4.420 501 HD2 HIS 65 2HD HIS 65 -9.211 1.210 -4.107 502 HE1 HIS 65 1HE HIS 65 -8.766 5.389 -4.691 503 HE2 HIS 65 2HE HIS 65 -10.396 3.489 -4.413 504 H ARG 66 H ARG 66 -3.643 1.341 -6.048 505 HA ARG 66 HA ARG 66 -2.172 -0.565 -4.443 506 HB2 ARG 66 1HB ARG 66 -1.008 -1.505 -6.476 507 HB3 ARG 66 2HB ARG 66 -2.672 -2.025 -6.252 508 HG2 ARG 66 1HG ARG 66 -3.447 -0.638 -7.992 509 HG3 ARG 66 2HG ARG 66 -1.927 0.257 -8.055 510 HD2 ARG 66 1HD ARG 66 -1.784 -1.163 -9.890 511 HD3 ARG 66 2HD ARG 66 -0.869 -2.016 -8.648 512 HE ARG 66 HE ARG 66 -3.312 -3.072 -8.353 513 HH11 ARG 66 2HH1 ARG 66 -1.351 -2.523 -11.177 514 HH12 ARG 66 1HH1 ARG 66 -1.997 -3.874 -12.048 515 HH21 ARG 66 2HH2 ARG 66 -4.170 -4.853 -9.489 516 HH22 ARG 66 1HH2 ARG 66 -3.601 -5.198 -11.088 517 H LEU 67 H LEU 67 0.088 -0.159 -4.403 518 HA LEU 67 HA LEU 67 0.815 2.496 -5.451 519 HB2 LEU 67 1HB LEU 67 0.674 1.973 -2.895 520 HB3 LEU 67 2HB LEU 67 2.237 1.205 -3.164 521 HG LEU 67 HG LEU 67 1.731 4.061 -3.946 522 HD11 LEU 67 1HD1 LEU 67 2.009 4.837 -1.858 523 HD12 LEU 67 2HD1 LEU 67 3.145 3.561 -1.421 524 HD13 LEU 67 3HD1 LEU 67 1.410 3.247 -1.384 525 HD21 LEU 67 1HD2 LEU 67 3.790 2.434 -4.538 526 HD22 LEU 67 2HD2 LEU 67 4.347 3.084 -2.995 527 HD23 LEU 67 3HD2 LEU 67 3.953 4.177 -4.323 528 H ILE 68 H ILE 68 2.408 2.591 -6.889 529 HA ILE 68 HA ILE 68 4.055 0.195 -7.304 530 HB ILE 68 HB ILE 68 3.231 2.435 -9.120 531 HG12 ILE 68 1HG1 ILE 68 3.335 -0.475 -9.813 532 HG13 ILE 68 2HG1 ILE 68 2.052 0.109 -8.759 533 HG21 ILE 68 1HG2 ILE 68 5.642 2.257 -9.373 534 HG22 ILE 68 2HG2 ILE 68 5.504 0.514 -9.602 535 HG23 ILE 68 3HG2 ILE 68 4.822 1.618 -10.797 536 HD11 ILE 68 1HD1 ILE 68 1.536 1.806 -10.558 537 HD12 ILE 68 2HD1 ILE 68 2.613 0.877 -11.602 538 HD13 ILE 68 3HD1 ILE 68 1.168 0.122 -10.930 539 H LEU 69 H LEU 69 6.312 0.393 -7.658 540 HA LEU 69 HA LEU 69 7.542 2.938 -6.897 541 HB2 LEU 69 1HB LEU 69 7.830 0.319 -5.492 542 HB3 LEU 69 2HB LEU 69 9.191 1.438 -5.536 543 HG LEU 69 HG LEU 69 6.485 2.238 -4.495 544 HD11 LEU 69 1HD1 LEU 69 8.775 1.340 -2.775 545 HD12 LEU 69 2HD1 LEU 69 7.503 0.235 -3.296 546 HD13 LEU 69 3HD1 LEU 69 7.099 1.643 -2.314 547 HD21 LEU 69 1HD2 LEU 69 7.557 4.211 -4.649 548 HD22 LEU 69 2HD2 LEU 69 9.152 3.461 -4.717 549 HD23 LEU 69 3HD2 LEU 69 8.344 3.679 -3.163 550 HA PRO 70 HA PRO 70 9.937 1.721 -10.457 551 HB2 PRO 70 1HB PRO 70 11.474 3.958 -10.522 552 HB3 PRO 70 2HB PRO 70 9.806 3.921 -11.106 553 HG2 PRO 70 1HG PRO 70 10.873 4.895 -8.484 554 HG3 PRO 70 2HG PRO 70 9.647 5.628 -9.535 555 HD2 PRO 70 1HD PRO 70 9.007 4.198 -7.327 556 HD3 PRO 70 2HD PRO 70 7.979 4.232 -8.774 557 H GLU 71 H GLU 71 11.403 3.046 -7.504 558 HA GLU 71 HA GLU 71 13.591 1.106 -7.818 559 HB2 GLU 71 1HB GLU 71 14.156 3.580 -8.374 560 HB3 GLU 71 2HB GLU 71 14.079 3.821 -6.634 561 HG2 GLU 71 1HG GLU 71 15.749 1.905 -6.464 562 HG3 GLU 71 2HG GLU 71 15.980 2.114 -8.198 563 H ALA 72 H ALA 72 13.668 -0.227 -6.147 564 HA ALA 72 HA ALA 72 12.294 0.454 -3.678 565 HB1 ALA 72 1HB ALA 72 12.165 -1.800 -4.911 566 HB2 ALA 72 2HB ALA 72 13.736 -2.124 -4.177 567 HB3 ALA 72 3HB ALA 72 12.332 -1.813 -3.155 568 H LYS 73 H LYS 73 13.514 1.851 -2.502 569 HA LYS 73 HA LYS 73 16.344 1.266 -2.071 570 HB2 LYS 73 1HB LYS 73 16.215 3.488 -0.785 571 HB3 LYS 73 2HB LYS 73 16.042 3.543 -2.535 572 HG2 LYS 73 1HG LYS 73 13.639 3.732 -2.323 573 HG3 LYS 73 2HG LYS 73 13.760 3.579 -0.569 574 HD2 LYS 73 1HD LYS 73 14.743 5.680 -0.334 575 HD3 LYS 73 2HD LYS 73 15.229 5.747 -2.030 576 HE2 LYS 73 1HE LYS 73 12.419 5.940 -0.951 577 HE3 LYS 73 2HE LYS 73 13.375 7.256 -1.630 578 HZ1 LYS 73 1HZ LYS 73 12.404 6.729 -3.546 579 HZ2 LYS 73 2HZ LYS 73 11.833 5.246 -2.968 580 HZ3 LYS 73 3HZ LYS 73 13.405 5.365 -3.581 581 H VAL 74 H VAL 74 17.242 0.913 -0.040 582 HA VAL 74 HA VAL 74 16.032 -0.748 1.722 583 HB VAL 74 HB VAL 74 18.054 1.372 2.462 584 HG11 VAL 74 1HG1 VAL 74 16.646 -0.399 4.114 585 HG12 VAL 74 2HG1 VAL 74 18.261 -1.087 3.932 586 HG13 VAL 74 3HG1 VAL 74 18.065 0.561 4.530 587 HG21 VAL 74 1HG2 VAL 74 18.497 -1.495 1.642 588 HG22 VAL 74 2HG2 VAL 74 18.718 -0.103 0.581 589 HG23 VAL 74 3HG2 VAL 74 19.734 -0.293 2.010 590 H GLN 75 H GLN 75 15.745 2.742 1.626 591 HA GLN 75 HA GLN 75 14.502 3.057 4.156 592 HB2 GLN 75 1HB GLN 75 14.241 4.841 1.731 593 HB3 GLN 75 2HB GLN 75 13.932 5.288 3.404 594 HG2 GLN 75 1HG GLN 75 16.445 4.531 3.695 595 HG3 GLN 75 2HG GLN 75 16.506 4.924 1.977 596 HE21 GLN 75 1HE2 GLN 75 17.237 6.882 1.630 597 HE22 GLN 75 2HE2 GLN 75 16.942 8.275 2.608 598 H ASP 76 H ASP 76 13.283 2.494 0.899 599 HA ASP 76 HA ASP 76 10.587 2.978 1.263 600 HB2 ASP 76 1HB ASP 76 12.080 1.030 -0.470 601 HB3 ASP 76 2HB ASP 76 10.319 1.060 -0.468 602 H SER 77 H SER 77 12.514 0.261 2.321 603 HA SER 77 HA SER 77 10.540 -1.614 2.858 604 HB2 SER 77 1HB SER 77 12.113 -2.708 4.230 605 HB3 SER 77 2HB SER 77 13.100 -1.831 3.061 606 HG SER 77 HG SER 77 13.897 -0.688 4.630 607 H GLY 78 H GLY 78 8.806 -1.529 4.114 608 HA2 GLY 78 1HA GLY 78 8.748 -0.882 6.803 609 HA3 GLY 78 2HA GLY 78 8.351 0.601 5.947 610 H GLU 79 H GLU 79 6.451 -0.200 7.557 611 HA GLU 79 HA GLU 79 4.623 -2.042 6.305 612 HB2 GLU 79 1HB GLU 79 4.897 -1.630 8.820 613 HB3 GLU 79 2HB GLU 79 3.970 -0.159 8.563 614 HG2 GLU 79 1HG GLU 79 2.027 -1.282 8.158 615 HG3 GLU 79 2HG GLU 79 2.852 -2.715 7.549 616 H PHE 80 H PHE 80 3.109 -1.574 4.855 617 HA PHE 80 HA PHE 80 2.539 1.257 4.307 618 HB2 PHE 80 1HB PHE 80 2.624 -1.193 2.594 619 HB3 PHE 80 2HB PHE 80 1.568 0.136 2.124 620 HD1 PHE 80 1HD PHE 80 5.067 -0.823 2.772 621 HD2 PHE 80 2HD PHE 80 2.438 2.124 1.184 622 HE1 PHE 80 1HE PHE 80 6.983 0.325 1.740 623 HE2 PHE 80 2HE PHE 80 4.350 3.276 0.148 624 HZ PHE 80 HZ PHE 80 6.626 2.377 0.425 625 H GLU 81 H GLU 81 0.542 2.054 4.561 626 HA GLU 81 HA GLU 81 -1.640 0.148 5.098 627 HB2 GLU 81 1HB GLU 81 -0.640 1.688 7.008 628 HB3 GLU 81 2HB GLU 81 -1.691 2.890 6.273 629 HG2 GLU 81 1HG GLU 81 -3.530 1.106 6.496 630 HG3 GLU 81 2HG GLU 81 -2.424 0.325 7.625 631 H CYS 82 H CYS 82 -3.567 0.483 4.102 632 HA CYS 82 HA CYS 82 -3.750 2.821 2.318 633 HB2 CYS 82 1HB CYS 82 -3.414 0.634 1.144 634 HB3 CYS 82 2HB CYS 82 -4.943 0.088 1.823 635 HG CYS 82 HG CYS 82 -4.813 2.905 -0.089 636 H ARG 83 H ARG 83 -4.845 3.963 4.008 637 HA ARG 83 HA ARG 83 -7.292 2.977 5.110 638 HB2 ARG 83 1HB ARG 83 -6.023 4.539 6.409 639 HB3 ARG 83 2HB ARG 83 -6.014 5.711 5.098 640 HG2 ARG 83 1HG ARG 83 -8.564 5.726 5.352 641 HG3 ARG 83 2HG ARG 83 -8.273 4.930 6.901 642 HD2 ARG 83 1HD ARG 83 -8.396 7.228 7.392 643 HD3 ARG 83 2HD ARG 83 -6.677 6.836 7.412 644 HE ARG 83 HE ARG 83 -7.020 7.676 4.893 645 HH11 ARG 83 2HH1 ARG 83 -8.015 9.030 7.942 646 HH12 ARG 83 1HH1 ARG 83 -7.937 10.670 7.388 647 HH21 ARG 83 2HH2 ARG 83 -6.914 9.831 4.152 648 HH22 ARG 83 1HH2 ARG 83 -7.311 11.124 5.231 649 H THR 84 H THR 84 -9.394 3.551 4.620 650 HA THR 84 HA THR 84 -9.793 5.074 2.131 651 HB THR 84 HB THR 84 -10.316 3.044 1.247 652 HG1 THR 84 1HG THR 84 -12.749 3.307 2.679 653 HG21 THR 84 1HG2 THR 84 -9.836 1.411 2.744 654 HG22 THR 84 2HG2 THR 84 -11.591 1.342 2.902 655 HG23 THR 84 3HG2 THR 84 -10.634 2.248 4.074 656 H GLU 85 H GLU 85 -12.009 3.491 4.417 657 HA GLU 85 HA GLU 85 -13.234 6.127 4.905 658 HB2 GLU 85 1HB GLU 85 -14.518 4.216 3.636 659 HB3 GLU 85 2HB GLU 85 -14.760 3.578 5.256 660 HG2 GLU 85 1HG GLU 85 -15.535 6.351 4.383 661 HG3 GLU 85 2HG GLU 85 -16.631 4.972 4.438 662 H GLY 86 H GLY 86 -13.270 2.891 6.417 663 HA2 GLY 86 1HA GLY 86 -12.619 4.208 8.979 664 HA3 GLY 86 2HA GLY 86 -13.885 2.993 8.870 665 H VAL 87 H VAL 87 -12.030 1.642 6.794 666 HA VAL 87 HA VAL 87 -10.294 0.328 8.783 667 HB VAL 87 HB VAL 87 -10.495 -1.734 7.469 668 HG11 VAL 87 1HG1 VAL 87 -13.251 -1.636 7.750 669 HG12 VAL 87 2HG1 VAL 87 -12.084 -2.111 8.985 670 HG13 VAL 87 3HG1 VAL 87 -12.654 -0.443 8.904 671 HG21 VAL 87 1HG2 VAL 87 -11.569 0.034 5.515 672 HG22 VAL 87 2HG2 VAL 87 -11.187 -1.681 5.359 673 HG23 VAL 87 3HG2 VAL 87 -12.788 -1.180 5.902 674 H SER 88 H SER 88 -8.489 -0.965 7.600 675 HA SER 88 HA SER 88 -7.495 0.190 5.166 676 HB2 SER 88 1HB SER 88 -5.657 0.593 7.493 677 HB3 SER 88 2HB SER 88 -5.713 1.445 5.950 678 HG SER 88 HG SER 88 -7.309 1.794 8.238 679 H ALA 89 H ALA 89 -5.719 -0.944 4.306 680 HA ALA 89 HA ALA 89 -5.290 -3.564 5.561 681 HB1 ALA 89 1HB ALA 89 -5.123 -2.614 2.720 682 HB2 ALA 89 2HB ALA 89 -4.396 -4.138 3.231 683 HB3 ALA 89 3HB ALA 89 -6.133 -3.887 3.405 684 H PHE 90 H PHE 90 -3.304 -4.261 6.147 685 HA PHE 90 HA PHE 90 -1.107 -2.331 5.912 686 HB2 PHE 90 1HB PHE 90 -1.649 -4.587 7.834 687 HB3 PHE 90 2HB PHE 90 -0.067 -3.825 7.717 688 HD1 PHE 90 1HD PHE 90 -3.538 -2.461 7.683 689 HD2 PHE 90 2HD PHE 90 0.282 -2.502 9.559 690 HE1 PHE 90 1HE PHE 90 -4.280 -0.694 9.226 691 HE2 PHE 90 2HE PHE 90 -0.454 -0.737 11.106 692 HZ PHE 90 HZ PHE 90 -2.739 0.169 10.941 693 H PHE 91 H PHE 91 0.758 -2.803 4.883 694 HA PHE 91 HA PHE 91 1.083 -5.531 3.823 695 HB2 PHE 91 1HB PHE 91 1.656 -2.943 2.364 696 HB3 PHE 91 2HB PHE 91 1.997 -4.557 1.749 697 HD1 PHE 91 2HD PHE 91 -0.753 -2.327 2.844 698 HD2 PHE 91 1HD PHE 91 0.367 -5.766 0.600 699 HE1 PHE 91 2HE PHE 91 -3.015 -2.431 1.880 700 HE2 PHE 91 1HE PHE 91 -1.893 -5.875 -0.368 701 HZ PHE 91 HZ PHE 91 -3.587 -4.206 0.273 702 H GLY 92 H GLY 92 2.825 -6.408 4.718 703 HA2 GLY 92 1HA GLY 92 4.953 -4.749 5.774 704 HA3 GLY 92 2HA GLY 92 4.825 -6.497 5.907 705 H VAL 93 H VAL 93 6.422 -3.957 4.411 706 HA VAL 93 HA VAL 93 7.431 -5.720 2.276 707 HB VAL 93 HB VAL 93 7.451 -2.701 2.407 708 HG11 VAL 93 1HG1 VAL 93 8.912 -4.624 0.746 709 HG12 VAL 93 2HG1 VAL 93 8.068 -3.366 -0.160 710 HG13 VAL 93 3HG1 VAL 93 9.245 -2.924 1.077 711 HG21 VAL 93 1HG2 VAL 93 6.116 -3.567 0.122 712 HG22 VAL 93 2HG2 VAL 93 5.533 -4.618 1.412 713 HG23 VAL 93 3HG2 VAL 93 5.394 -2.867 1.571 714 H THR 94 H THR 94 9.634 -5.948 1.975 715 HA THR 94 HA THR 94 11.436 -4.609 3.851 716 HB THR 94 HB THR 94 11.295 -7.613 3.531 717 HG1 THR 94 1HG THR 94 9.970 -7.323 5.164 718 HG21 THR 94 1HG2 THR 94 13.543 -6.015 4.032 719 HG22 THR 94 2HG2 THR 94 13.401 -7.759 4.250 720 HG23 THR 94 3HG2 THR 94 13.067 -6.671 5.597 721 H VAL 95 H VAL 95 12.878 -3.653 2.578 722 HA VAL 95 HA VAL 95 13.651 -4.905 0.053 723 HB VAL 95 HB VAL 95 14.418 -2.177 1.094 724 HG11 VAL 95 1HG1 VAL 95 14.428 -3.198 -1.738 725 HG12 VAL 95 2HG1 VAL 95 15.110 -1.689 -1.127 726 HG13 VAL 95 3HG1 VAL 95 15.844 -3.232 -0.688 727 HG21 VAL 95 1HG2 VAL 95 12.419 -1.394 0.522 728 HG22 VAL 95 2HG2 VAL 95 12.527 -2.144 -1.070 729 HG23 VAL 95 3HG2 VAL 95 11.883 -3.059 0.293 730 H GLN 96 H GLN 96 15.304 -6.275 0.142 731 HA GLN 96 HA GLN 96 17.485 -5.752 2.040 732 HB2 GLN 96 1HB GLN 96 16.415 -8.239 0.762 733 HB3 GLN 96 2HB GLN 96 18.087 -8.197 1.307 734 HG2 GLN 96 1HG GLN 96 16.987 -7.305 3.525 735 HG3 GLN 96 2HG GLN 96 15.572 -8.138 2.884 736 HE21 GLN 96 1HE2 GLN 96 15.369 -10.182 3.427 737 HE22 GLN 96 2HE2 GLN 96 16.643 -11.238 3.925 738 H ASP 97 H ASP 97 19.435 -5.168 1.335 739 HA ASP 97 HA ASP 97 19.868 -4.662 -1.444 740 HB2 ASP 97 1HB ASP 97 22.119 -3.908 -0.706 741 HB3 ASP 97 2HB ASP 97 20.811 -3.159 0.206 742 HA PRO 98 HA PRO 98 21.548 -8.589 -2.566 743 HB2 PRO 98 1HB PRO 98 22.688 -7.839 -4.912 744 HB3 PRO 98 2HB PRO 98 20.944 -8.050 -4.716 745 HG2 PRO 98 1HG PRO 98 22.564 -5.533 -4.679 746 HG3 PRO 98 2HG PRO 98 21.005 -5.849 -5.463 747 HD2 PRO 98 1HD PRO 98 21.209 -4.540 -3.101 748 HD3 PRO 98 2HD PRO 98 19.821 -5.571 -3.505 749 H SER 99 H SER 99 23.678 -9.513 -3.292 750 HA SER 99 HA SER 99 25.798 -8.329 -1.691 751 HB2 SER 99 1HB SER 99 25.362 -11.012 -2.966 752 HB3 SER 99 2HB SER 99 26.980 -10.533 -2.452 753 HG SER 99 HG SER 99 24.682 -11.000 -0.910 754 H GLY 100 H GLY 100 26.514 -6.580 -2.890 755 HA2 GLY 100 1HA GLY 100 28.492 -7.096 -4.836 756 HA3 GLY 100 2HA GLY 100 27.028 -6.548 -5.637 757 HA PRO 101 HA PRO 101 29.684 -2.987 -3.894 758 HB2 PRO 101 1HB PRO 101 30.861 -2.179 -6.203 759 HB3 PRO 101 2HB PRO 101 31.594 -3.362 -5.114 760 HG2 PRO 101 1HG PRO 101 30.050 -3.813 -7.639 761 HG3 PRO 101 2HG PRO 101 31.537 -4.602 -7.081 762 HD2 PRO 101 1HD PRO 101 29.100 -5.760 -6.855 763 HD3 PRO 101 2HD PRO 101 30.400 -6.033 -5.677 764 H SER 102 H SER 102 28.080 -3.297 -7.052 765 HA SER 102 HA SER 102 26.736 -1.868 -8.225 766 HB2 SER 102 1HB SER 102 25.752 -1.654 -5.391 767 HB3 SER 102 2HB SER 102 24.974 -0.742 -6.685 768 HG SER 102 HG SER 102 24.250 -3.032 -6.099 769 H SER 103 H SER 103 29.229 -0.750 -7.757 770 HA SER 103 HA SER 103 28.530 2.097 -7.534 771 HB2 SER 103 1HB SER 103 30.845 0.659 -6.244 772 HB3 SER 103 2HB SER 103 30.878 2.398 -6.538 773 HG SER 103 HG SER 103 28.636 1.330 -5.263 774 H GLY 104 H GLY 104 29.174 3.288 -9.214 775 HA2 GLY 104 1HA GLY 104 30.937 2.017 -11.191 776 HA3 GLY 104 2HA GLY 104 29.826 3.341 -11.508 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -32.270 -7.433 -4.830 2 HA2 GLY 1 1HA GLY 1 -33.811 -9.216 -3.226 3 HA3 GLY 1 2HA GLY 1 -32.206 -9.866 -3.527 4 H SER 2 H SER 2 -32.061 -9.710 -1.153 5 HA SER 2 HA SER 2 -31.849 -7.060 -0.015 6 HB2 SER 2 1HB SER 2 -32.663 -9.275 1.134 7 HB3 SER 2 2HB SER 2 -30.941 -9.539 1.407 8 HG SER 2 HG SER 2 -32.590 -8.005 2.792 9 H SER 3 H SER 3 -29.874 -6.528 1.315 10 HA SER 3 HA SER 3 -27.363 -7.669 0.586 11 HB2 SER 3 1HB SER 3 -28.290 -5.161 -0.777 12 HB3 SER 3 2HB SER 3 -26.577 -5.383 -0.421 13 HG SER 3 HG SER 3 -28.151 -6.598 -2.308 14 H GLY 4 H GLY 4 -25.632 -6.840 1.807 15 HA2 GLY 4 1HA GLY 4 -26.383 -5.732 4.319 16 HA3 GLY 4 2HA GLY 4 -24.742 -6.045 3.774 17 H SER 5 H SER 5 -26.690 -3.681 4.840 18 HA SER 5 HA SER 5 -25.189 -1.617 3.373 19 HB2 SER 5 1HB SER 5 -27.168 -0.154 3.471 20 HB3 SER 5 2HB SER 5 -27.512 -1.634 2.576 21 HG SER 5 HG SER 5 -29.114 -1.824 3.916 22 H SER 6 H SER 6 -24.311 -2.708 5.757 23 HA SER 6 HA SER 6 -25.107 -0.879 7.884 24 HB2 SER 6 1HB SER 6 -23.593 -2.267 9.298 25 HB3 SER 6 2HB SER 6 -24.856 -3.211 8.509 26 HG SER 6 HG SER 6 -22.107 -3.197 8.080 27 H GLY 7 H GLY 7 -22.112 -1.874 6.226 28 HA2 GLY 7 1HA GLY 7 -20.822 0.575 7.222 29 HA3 GLY 7 2HA GLY 7 -19.985 -0.837 6.594 30 HA PRO 8 HA PRO 8 -20.865 2.559 3.309 31 HB2 PRO 8 1HB PRO 8 -18.578 4.012 3.475 32 HB3 PRO 8 2HB PRO 8 -20.038 4.411 4.388 33 HG2 PRO 8 1HG PRO 8 -17.582 2.954 5.286 34 HG3 PRO 8 2HG PRO 8 -18.514 4.203 6.132 35 HD2 PRO 8 1HD PRO 8 -18.771 1.565 6.689 36 HD3 PRO 8 2HD PRO 8 -20.123 2.707 6.830 37 H VAL 9 H VAL 9 -17.646 1.311 4.213 38 HA VAL 9 HA VAL 9 -17.460 -0.178 1.754 39 HB VAL 9 HB VAL 9 -16.742 1.967 0.905 40 HG11 VAL 9 1HG1 VAL 9 -15.330 3.414 1.939 41 HG12 VAL 9 2HG1 VAL 9 -15.942 2.588 3.373 42 HG13 VAL 9 3HG1 VAL 9 -14.383 2.129 2.688 43 HG21 VAL 9 1HG2 VAL 9 -15.541 0.301 -0.158 44 HG22 VAL 9 2HG2 VAL 9 -14.257 1.352 0.440 45 HG23 VAL 9 3HG2 VAL 9 -14.652 -0.135 1.301 46 H HIS 10 H HIS 10 -16.090 -1.884 1.931 47 HA HIS 10 HA HIS 10 -14.218 -1.945 4.189 48 HB2 HIS 10 1HB HIS 10 -14.938 -4.173 4.834 49 HB3 HIS 10 2HB HIS 10 -16.312 -3.073 4.888 50 HD1 HIS 10 1HD HIS 10 -18.357 -3.994 3.865 51 HD2 HIS 10 2HD HIS 10 -14.928 -5.637 2.190 52 HE1 HIS 10 1HE HIS 10 -19.170 -5.694 2.200 53 HE2 HIS 10 2HE HIS 10 -17.078 -6.735 1.261 54 H ILE 11 H ILE 11 -12.411 -3.263 3.904 55 HA ILE 11 HA ILE 11 -11.617 -3.654 1.186 56 HB ILE 11 HB ILE 11 -10.274 -4.348 3.795 57 HG12 ILE 11 1HG1 ILE 11 -9.416 -2.333 1.727 58 HG13 ILE 11 2HG1 ILE 11 -10.569 -1.922 2.993 59 HG21 ILE 11 1HG2 ILE 11 -9.410 -4.858 0.972 60 HG22 ILE 11 2HG2 ILE 11 -8.229 -4.617 2.259 61 HG23 ILE 11 3HG2 ILE 11 -9.382 -5.948 2.357 62 HD11 ILE 11 1HD1 ILE 11 -8.184 -1.310 3.448 63 HD12 ILE 11 2HD1 ILE 11 -8.962 -2.292 4.690 64 HD13 ILE 11 3HD1 ILE 11 -7.837 -3.036 3.554 65 H LEU 12 H LEU 12 -11.191 -5.567 0.099 66 HA LEU 12 HA LEU 12 -12.499 -7.948 1.230 67 HB2 LEU 12 1HB LEU 12 -11.877 -7.709 -1.670 68 HB3 LEU 12 2HB LEU 12 -13.195 -8.562 -0.868 69 HG LEU 12 HG LEU 12 -13.032 -5.563 -1.137 70 HD11 LEU 12 1HD1 LEU 12 -14.904 -5.961 -2.804 71 HD12 LEU 12 2HD1 LEU 12 -14.368 -7.640 -2.846 72 HD13 LEU 12 3HD1 LEU 12 -13.269 -6.353 -3.338 73 HD21 LEU 12 1HD2 LEU 12 -14.423 -6.872 0.699 74 HD22 LEU 12 2HD2 LEU 12 -15.546 -7.066 -0.647 75 HD23 LEU 12 3HD2 LEU 12 -15.069 -5.451 -0.122 76 H SER 13 H SER 13 -9.601 -6.735 -0.319 77 HA SER 13 HA SER 13 -8.100 -8.997 0.672 78 HB2 SER 13 1HB SER 13 -8.872 -9.877 -1.475 79 HB3 SER 13 2HB SER 13 -8.258 -8.445 -2.302 80 HG SER 13 HG SER 13 -6.448 -9.484 -2.434 81 HA PRO 14 HA PRO 14 -6.095 -9.720 0.755 82 HB2 PRO 14 1HB PRO 14 -4.465 -9.347 2.893 83 HB3 PRO 14 2HB PRO 14 -3.868 -9.422 1.231 84 HG2 PRO 14 1HG PRO 14 -4.419 -7.027 2.940 85 HG3 PRO 14 2HG PRO 14 -3.045 -7.341 1.865 86 HD2 PRO 14 1HD PRO 14 -5.122 -5.758 1.149 87 HD3 PRO 14 2HD PRO 14 -4.224 -6.743 -0.023 88 H GLN 15 H GLN 15 -6.236 -10.734 3.093 89 HA GLN 15 HA GLN 15 -8.621 -9.562 4.318 90 HB2 GLN 15 1HB GLN 15 -7.393 -12.313 4.541 91 HB3 GLN 15 2HB GLN 15 -8.812 -11.794 5.441 92 HG2 GLN 15 1HG GLN 15 -10.091 -11.560 3.458 93 HG3 GLN 15 2HG GLN 15 -8.664 -11.757 2.441 94 HE21 GLN 15 1HE2 GLN 15 -8.023 -13.756 1.874 95 HE22 GLN 15 2HE2 GLN 15 -8.806 -15.213 2.372 96 H ASP 16 H ASP 16 -5.327 -10.519 5.054 97 HA ASP 16 HA ASP 16 -5.465 -8.965 7.520 98 HB2 ASP 16 1HB ASP 16 -4.146 -10.843 8.674 99 HB3 ASP 16 2HB ASP 16 -5.879 -11.080 8.462 100 H LYS 17 H LYS 17 -3.234 -8.699 8.485 101 HA LYS 17 HA LYS 17 -1.517 -7.409 6.854 102 HB2 LYS 17 1HB LYS 17 -1.458 -7.919 9.454 103 HB3 LYS 17 2HB LYS 17 -0.271 -9.119 8.960 104 HG2 LYS 17 1HG LYS 17 0.744 -7.054 7.659 105 HG3 LYS 17 2HG LYS 17 -0.113 -6.158 8.916 106 HD2 LYS 17 1HD LYS 17 1.131 -7.155 10.632 107 HD3 LYS 17 2HD LYS 17 1.691 -8.462 9.587 108 HE2 LYS 17 1HE LYS 17 3.268 -7.133 8.549 109 HE3 LYS 17 2HE LYS 17 2.413 -5.640 8.932 110 HZ1 LYS 17 1HZ LYS 17 4.031 -7.318 10.760 111 HZ2 LYS 17 2HZ LYS 17 3.003 -6.094 11.311 112 HZ3 LYS 17 3HZ LYS 17 4.310 -5.712 10.307 113 H VAL 18 H VAL 18 -0.068 -7.867 5.311 114 HA VAL 18 HA VAL 18 0.463 -10.707 4.744 115 HB VAL 18 HB VAL 18 0.891 -10.074 2.444 116 HG11 VAL 18 1HG1 VAL 18 -1.513 -8.688 2.306 117 HG12 VAL 18 2HG1 VAL 18 -1.297 -10.439 2.245 118 HG13 VAL 18 3HG1 VAL 18 -1.637 -9.643 3.783 119 HG21 VAL 18 1HG2 VAL 18 0.990 -7.919 1.635 120 HG22 VAL 18 2HG2 VAL 18 0.035 -7.261 2.963 121 HG23 VAL 18 3HG2 VAL 18 1.716 -7.723 3.230 122 H SER 19 H SER 19 2.606 -10.807 3.294 123 HA SER 19 HA SER 19 4.709 -9.146 4.451 124 HB2 SER 19 1HB SER 19 4.790 -10.923 6.005 125 HB3 SER 19 2HB SER 19 4.514 -12.138 4.758 126 HG SER 19 HG SER 19 6.765 -11.752 5.623 127 H LEU 20 H LEU 20 6.250 -8.654 3.012 128 HA LEU 20 HA LEU 20 6.698 -10.383 0.705 129 HB2 LEU 20 1HB LEU 20 6.266 -7.439 0.310 130 HB3 LEU 20 2HB LEU 20 6.362 -8.706 -0.912 131 HG LEU 20 HG LEU 20 4.122 -8.794 1.050 132 HD11 LEU 20 1HD1 LEU 20 4.154 -6.461 0.362 133 HD12 LEU 20 2HD1 LEU 20 2.787 -7.308 -0.360 134 HD13 LEU 20 3HD1 LEU 20 4.214 -6.948 -1.332 135 HD21 LEU 20 1HD2 LEU 20 2.949 -9.768 -0.822 136 HD22 LEU 20 2HD2 LEU 20 4.495 -10.588 -0.606 137 HD23 LEU 20 3HD2 LEU 20 4.298 -9.404 -1.899 138 H THR 21 H THR 21 8.664 -9.860 -0.467 139 HA THR 21 HA THR 21 10.528 -8.075 0.907 140 HB THR 21 HB THR 21 11.214 -10.959 0.309 141 HG1 THR 21 1HG THR 21 10.148 -11.159 2.161 142 HG21 THR 21 1HG2 THR 21 13.295 -10.106 0.266 143 HG22 THR 21 2HG2 THR 21 13.113 -9.986 2.016 144 HG23 THR 21 3HG2 THR 21 12.788 -8.584 0.997 145 H PHE 22 H PHE 22 12.043 -7.159 -0.410 146 HA PHE 22 HA PHE 22 12.322 -8.155 -3.145 147 HB2 PHE 22 1HB PHE 22 11.598 -5.296 -2.468 148 HB3 PHE 22 2HB PHE 22 12.014 -5.888 -4.073 149 HD1 PHE 22 1HD PHE 22 9.470 -5.825 -1.453 150 HD2 PHE 22 2HD PHE 22 10.467 -7.244 -5.340 151 HE1 PHE 22 1HE PHE 22 7.108 -6.388 -1.850 152 HE2 PHE 22 2HE PHE 22 8.106 -7.808 -5.744 153 HZ PHE 22 HZ PHE 22 6.423 -7.380 -3.998 154 H THR 23 H THR 23 14.019 -6.688 -4.321 155 HA THR 23 HA THR 23 16.275 -6.370 -2.459 156 HB THR 23 HB THR 23 16.335 -6.880 -5.440 157 HG1 THR 23 1HG THR 23 16.079 -8.873 -4.775 158 HG21 THR 23 1HG2 THR 23 18.267 -5.595 -4.774 159 HG22 THR 23 2HG2 THR 23 18.761 -7.266 -5.048 160 HG23 THR 23 3HG2 THR 23 18.553 -6.667 -3.403 161 H THR 24 H THR 24 17.577 -4.552 -2.542 162 HA THR 24 HA THR 24 16.420 -2.099 -3.025 163 HB THR 24 HB THR 24 19.381 -2.706 -3.138 164 HG1 THR 24 1HG THR 24 17.878 -3.214 -1.174 165 HG21 THR 24 1HG2 THR 24 18.510 -0.158 -2.012 166 HG22 THR 24 2HG2 THR 24 18.100 -0.338 -3.718 167 HG23 THR 24 3HG2 THR 24 19.775 -0.500 -3.191 168 H SER 25 H SER 25 16.355 -0.660 -4.699 169 HA SER 25 HA SER 25 16.466 0.154 -6.824 170 HB2 SER 25 1HB SER 25 18.625 -1.896 -7.352 171 HB3 SER 25 2HB SER 25 18.331 -0.397 -8.233 172 HG SER 25 HG SER 25 18.801 0.686 -6.193 173 H GLU 26 H GLU 26 14.468 -1.582 -6.303 174 HA GLU 26 HA GLU 26 14.219 -3.036 -8.845 175 HB2 GLU 26 1HB GLU 26 13.442 -4.044 -6.106 176 HB3 GLU 26 2HB GLU 26 12.906 -4.787 -7.606 177 HG2 GLU 26 1HG GLU 26 15.813 -4.407 -6.992 178 HG3 GLU 26 2HG GLU 26 14.915 -5.808 -6.411 179 H ARG 27 H ARG 27 11.930 -3.505 -9.410 180 HA ARG 27 HA ARG 27 10.288 -1.176 -8.768 181 HB2 ARG 27 1HB ARG 27 10.733 -1.838 -11.148 182 HB3 ARG 27 2HB ARG 27 9.798 -3.299 -10.859 183 HG2 ARG 27 1HG ARG 27 7.897 -1.743 -10.176 184 HG3 ARG 27 2HG ARG 27 8.853 -0.455 -10.911 185 HD2 ARG 27 1HD ARG 27 8.929 -1.842 -13.002 186 HD3 ARG 27 2HD ARG 27 7.768 -2.929 -12.243 187 HE ARG 27 HE ARG 27 6.583 -0.500 -12.044 188 HH11 ARG 27 2HH1 ARG 27 7.952 -2.305 -14.688 189 HH12 ARG 27 1HH1 ARG 27 6.882 -1.632 -15.873 190 HH21 ARG 27 2HH2 ARG 27 5.169 0.393 -13.595 191 HH22 ARG 27 1HH2 ARG 27 5.300 -0.096 -15.250 192 H VAL 28 H VAL 28 8.868 -1.352 -7.173 193 HA VAL 28 HA VAL 28 7.669 -3.984 -6.623 194 HB VAL 28 HB VAL 28 8.038 -1.585 -4.829 195 HG11 VAL 28 1HG1 VAL 28 6.965 -2.902 -3.071 196 HG12 VAL 28 2HG1 VAL 28 5.856 -2.599 -4.410 197 HG13 VAL 28 3HG1 VAL 28 6.619 -4.180 -4.234 198 HG21 VAL 28 1HG2 VAL 28 9.353 -4.230 -5.124 199 HG22 VAL 28 2HG2 VAL 28 10.045 -2.662 -4.709 200 HG23 VAL 28 3HG2 VAL 28 9.159 -3.584 -3.494 201 H VAL 29 H VAL 29 5.462 -4.216 -6.443 202 HA VAL 29 HA VAL 29 3.756 -1.878 -6.824 203 HB VAL 29 HB VAL 29 3.618 -4.276 -8.658 204 HG11 VAL 29 1HG1 VAL 29 1.526 -2.777 -7.850 205 HG12 VAL 29 2HG1 VAL 29 2.074 -1.835 -9.238 206 HG13 VAL 29 3HG1 VAL 29 1.638 -3.532 -9.440 207 HG21 VAL 29 1HG2 VAL 29 4.008 -2.298 -10.350 208 HG22 VAL 29 2HG2 VAL 29 4.779 -1.548 -8.953 209 HG23 VAL 29 3HG2 VAL 29 5.366 -3.097 -9.559 210 H LEU 30 H LEU 30 2.570 -2.062 -5.018 211 HA LEU 30 HA LEU 30 1.785 -4.591 -3.924 212 HB2 LEU 30 1HB LEU 30 0.898 -1.792 -3.244 213 HB3 LEU 30 2HB LEU 30 0.520 -3.234 -2.304 214 HG LEU 30 HG LEU 30 3.324 -2.233 -2.777 215 HD11 LEU 30 1HD1 LEU 30 1.549 -1.805 -0.378 216 HD12 LEU 30 2HD1 LEU 30 2.016 -0.567 -1.543 217 HD13 LEU 30 3HD1 LEU 30 3.240 -1.327 -0.526 218 HD21 LEU 30 1HD2 LEU 30 3.871 -4.218 -1.941 219 HD22 LEU 30 2HD2 LEU 30 2.184 -4.610 -1.606 220 HD23 LEU 30 3HD2 LEU 30 3.134 -3.711 -0.421 221 H THR 31 H THR 31 -0.743 -4.457 -3.135 222 HA THR 31 HA THR 31 -2.543 -3.655 -5.224 223 HB THR 31 HB THR 31 -2.326 -6.625 -4.737 224 HG1 THR 31 1HG THR 31 -1.412 -5.235 -7.045 225 HG21 THR 31 1HG2 THR 31 -3.846 -6.856 -6.527 226 HG22 THR 31 2HG2 THR 31 -3.631 -5.180 -7.032 227 HG23 THR 31 3HG2 THR 31 -4.493 -5.548 -5.539 228 H CYS 32 H CYS 32 -4.575 -3.405 -4.459 229 HA CYS 32 HA CYS 32 -5.463 -4.842 -2.103 230 HB2 CYS 32 1HB CYS 32 -4.266 -2.943 -1.124 231 HB3 CYS 32 2HB CYS 32 -5.212 -1.827 -2.102 232 HG CYS 32 HG CYS 32 -6.043 -3.420 0.738 233 H GLU 33 H GLU 33 -7.700 -4.846 -1.841 234 HA GLU 33 HA GLU 33 -9.210 -3.602 -4.046 235 HB2 GLU 33 1HB GLU 33 -9.002 -6.130 -4.089 236 HB3 GLU 33 2HB GLU 33 -9.971 -6.151 -2.622 237 HG2 GLU 33 1HG GLU 33 -11.810 -5.086 -3.794 238 HG3 GLU 33 2HG GLU 33 -10.839 -4.999 -5.263 239 H LEU 34 H LEU 34 -11.354 -2.902 -3.587 240 HA LEU 34 HA LEU 34 -12.019 -2.632 -0.740 241 HB2 LEU 34 1HB LEU 34 -11.636 -0.473 -2.755 242 HB3 LEU 34 2HB LEU 34 -12.885 -0.272 -1.528 243 HG LEU 34 HG LEU 34 -9.941 -0.677 -1.002 244 HD11 LEU 34 1HD1 LEU 34 -11.542 1.671 -1.538 245 HD12 LEU 34 2HD1 LEU 34 -9.793 1.506 -1.394 246 HD13 LEU 34 3HD1 LEU 34 -10.777 1.748 0.049 247 HD21 LEU 34 1HD2 LEU 34 -11.047 -1.624 0.827 248 HD22 LEU 34 2HD2 LEU 34 -12.326 -0.411 0.800 249 HD23 LEU 34 3HD2 LEU 34 -10.704 0.029 1.337 250 H SER 35 H SER 35 -14.321 -1.586 -0.585 251 HA SER 35 HA SER 35 -16.035 -3.078 -2.453 252 HB2 SER 35 1HB SER 35 -16.030 -3.483 0.134 253 HB3 SER 35 2HB SER 35 -17.005 -2.014 0.180 254 HG SER 35 HG SER 35 -17.759 -3.916 -1.688 255 H ARG 36 H ARG 36 -14.939 -0.458 -3.025 256 HA ARG 36 HA ARG 36 -17.388 0.855 -3.766 257 HB2 ARG 36 1HB ARG 36 -15.634 1.937 -1.605 258 HB3 ARG 36 2HB ARG 36 -16.377 3.069 -2.727 259 HG2 ARG 36 1HG ARG 36 -18.573 1.827 -2.143 260 HG3 ARG 36 2HG ARG 36 -17.671 1.259 -0.736 261 HD2 ARG 36 1HD ARG 36 -18.753 3.202 -0.001 262 HD3 ARG 36 2HD ARG 36 -17.098 3.712 -0.331 263 HE ARG 36 HE ARG 36 -17.867 5.014 -2.067 264 HH11 ARG 36 2HH1 ARG 36 -20.412 2.927 -0.931 265 HH12 ARG 36 1HH1 ARG 36 -21.652 3.730 -1.836 266 HH21 ARG 36 2HH2 ARG 36 -19.491 6.079 -3.264 267 HH22 ARG 36 1HH2 ARG 36 -21.127 5.522 -3.163 268 H VAL 37 H VAL 37 -17.087 1.526 -5.777 269 HA VAL 37 HA VAL 37 -14.467 1.681 -6.928 270 HB VAL 37 HB VAL 37 -17.080 2.537 -8.175 271 HG11 VAL 37 1HG1 VAL 37 -15.884 3.013 -9.983 272 HG12 VAL 37 2HG1 VAL 37 -14.410 2.685 -9.070 273 HG13 VAL 37 3HG1 VAL 37 -15.189 1.393 -9.984 274 HG21 VAL 37 1HG2 VAL 37 -17.616 0.396 -8.649 275 HG22 VAL 37 2HG2 VAL 37 -15.933 -0.099 -8.832 276 HG23 VAL 37 3HG2 VAL 37 -16.637 0.054 -7.222 277 H ASP 38 H ASP 38 -13.372 3.471 -7.682 278 HA ASP 38 HA ASP 38 -12.566 5.600 -7.533 279 HB2 ASP 38 1HB ASP 38 -15.487 6.072 -8.119 280 HB3 ASP 38 2HB ASP 38 -14.312 7.383 -8.061 281 H PHE 39 H PHE 39 -12.701 4.612 -5.071 282 HA PHE 39 HA PHE 39 -14.066 6.619 -3.416 283 HB2 PHE 39 1HB PHE 39 -14.328 4.051 -3.077 284 HB3 PHE 39 2HB PHE 39 -12.739 4.155 -2.327 285 HD1 PHE 39 2HD PHE 39 -16.090 5.782 -2.186 286 HD2 PHE 39 1HD PHE 39 -12.609 4.554 -0.067 287 HE1 PHE 39 2HE PHE 39 -17.140 6.469 -0.070 288 HE2 PHE 39 1HE PHE 39 -13.654 5.239 2.053 289 HZ PHE 39 HZ PHE 39 -15.922 6.199 2.053 290 HA PRO 40 HA PRO 40 -10.223 8.593 -2.542 291 HB2 PRO 40 1HB PRO 40 -10.948 9.888 -0.269 292 HB3 PRO 40 2HB PRO 40 -11.482 10.396 -1.875 293 HG2 PRO 40 1HG PRO 40 -12.940 8.783 0.183 294 HG3 PRO 40 2HG PRO 40 -13.542 10.102 -0.838 295 HD2 PRO 40 1HD PRO 40 -14.004 7.495 -1.404 296 HD3 PRO 40 2HD PRO 40 -13.820 8.728 -2.667 297 H ALA 41 H ALA 41 -8.404 8.200 -1.372 298 HA ALA 41 HA ALA 41 -8.523 6.933 1.222 299 HB1 ALA 41 1HB ALA 41 -7.012 5.435 -0.887 300 HB2 ALA 41 2HB ALA 41 -7.539 4.890 0.706 301 HB3 ALA 41 3HB ALA 41 -8.720 5.110 -0.586 302 H THR 42 H THR 42 -6.223 6.454 2.011 303 HA THR 42 HA THR 42 -4.195 8.161 0.796 304 HB THR 42 HB THR 42 -5.109 8.532 3.655 305 HG1 THR 42 1HG THR 42 -6.248 9.558 1.725 306 HG21 THR 42 1HG2 THR 42 -2.606 9.162 2.288 307 HG22 THR 42 2HG2 THR 42 -2.978 9.133 4.012 308 HG23 THR 42 3HG2 THR 42 -3.356 10.563 3.053 309 H TRP 43 H TRP 43 -2.507 6.852 0.600 310 HA TRP 43 HA TRP 43 -2.127 4.534 2.206 311 HB2 TRP 43 1HB TRP 43 -0.398 5.927 0.164 312 HB3 TRP 43 2HB TRP 43 0.129 4.476 1.012 313 HD1 TRP 43 HD TRP 43 -2.449 5.656 -1.576 314 HE1 TRP 43 1HE TRP 43 -3.313 3.600 -2.860 315 HE3 TRP 43 3HE TRP 43 -0.196 1.977 1.168 316 HZ2 TRP 43 2HZ TRP 43 -3.073 0.790 -2.728 317 HZ3 TRP 43 3HZ TRP 43 -0.565 -0.369 0.524 318 HH2 TRP 43 HH TRP 43 -1.974 -0.948 -1.384 319 H TYR 44 H TYR 44 -0.872 4.194 3.958 320 HA TYR 44 HA TYR 44 0.760 6.448 4.926 321 HB2 TYR 44 1HB TYR 44 -1.138 4.687 6.473 322 HB3 TYR 44 2HB TYR 44 0.120 5.635 7.258 323 HD1 TYR 44 2HD TYR 44 0.120 8.181 6.774 324 HD2 TYR 44 1HD TYR 44 -3.218 5.643 6.054 325 HE1 TYR 44 2HE TYR 44 -1.369 10.139 6.806 326 HE2 TYR 44 1HE TYR 44 -4.716 7.594 6.083 327 HH TYR 44 HH TYR 44 -4.879 9.784 6.524 328 H LYS 45 H LYS 45 2.765 5.971 5.632 329 HA LYS 45 HA LYS 45 3.498 3.125 5.847 330 HB2 LYS 45 1HB LYS 45 4.337 4.169 3.750 331 HB3 LYS 45 2HB LYS 45 5.226 5.336 4.720 332 HG2 LYS 45 1HG LYS 45 6.326 3.275 5.801 333 HG3 LYS 45 2HG LYS 45 5.706 2.401 4.398 334 HD2 LYS 45 1HD LYS 45 7.089 3.500 2.933 335 HD3 LYS 45 2HD LYS 45 7.197 4.940 3.948 336 HE2 LYS 45 1HE LYS 45 8.413 3.233 5.576 337 HE3 LYS 45 2HE LYS 45 8.749 2.408 4.055 338 HZ1 LYS 45 1HZ LYS 45 9.570 5.123 4.888 339 HZ2 LYS 45 2HZ LYS 45 9.572 4.660 3.261 340 HZ3 LYS 45 3HZ LYS 45 10.545 3.839 4.375 341 H ASP 46 H ASP 46 4.463 2.553 7.687 342 HA ASP 46 HA ASP 46 5.242 2.712 9.827 343 HB2 ASP 46 1HB ASP 46 7.220 3.403 8.269 344 HB3 ASP 46 2HB ASP 46 6.950 5.012 8.934 345 H GLY 47 H GLY 47 2.860 4.112 9.456 346 HA2 GLY 47 1HA GLY 47 1.522 5.613 10.563 347 HA3 GLY 47 2HA GLY 47 2.813 5.748 11.748 348 H GLN 48 H GLN 48 2.966 6.555 8.310 349 HA GLN 48 HA GLN 48 2.919 9.400 8.912 350 HB2 GLN 48 1HB GLN 48 5.306 8.087 7.600 351 HB3 GLN 48 2HB GLN 48 5.069 9.818 7.798 352 HG2 GLN 48 1HG GLN 48 4.956 9.348 10.298 353 HG3 GLN 48 2HG GLN 48 5.601 7.755 9.904 354 HE21 GLN 48 1HE2 GLN 48 7.344 8.524 11.330 355 HE22 GLN 48 2HE2 GLN 48 8.631 9.437 10.628 356 H LYS 49 H LYS 49 1.960 10.518 7.333 357 HA LYS 49 HA LYS 49 0.706 9.288 5.175 358 HB2 LYS 49 1HB LYS 49 0.125 11.516 6.189 359 HB3 LYS 49 2HB LYS 49 1.490 12.203 5.318 360 HG2 LYS 49 1HG LYS 49 0.478 11.916 3.249 361 HG3 LYS 49 2HG LYS 49 -0.653 10.707 3.862 362 HD2 LYS 49 1HD LYS 49 -1.999 12.307 4.886 363 HD3 LYS 49 2HD LYS 49 -0.718 13.522 4.888 364 HE2 LYS 49 1HE LYS 49 -0.889 13.362 2.314 365 HE3 LYS 49 2HE LYS 49 -2.448 12.600 2.622 366 HZ1 LYS 49 1HZ LYS 49 -2.141 14.975 4.155 367 HZ2 LYS 49 2HZ LYS 49 -3.355 14.562 3.052 368 HZ3 LYS 49 3HZ LYS 49 -1.931 15.294 2.507 369 H VAL 50 H VAL 50 1.170 9.064 3.019 370 HA VAL 50 HA VAL 50 3.993 9.282 2.308 371 HB VAL 50 HB VAL 50 3.511 7.848 0.443 372 HG11 VAL 50 1HG1 VAL 50 1.919 6.177 2.031 373 HG12 VAL 50 2HG1 VAL 50 3.680 6.186 1.908 374 HG13 VAL 50 3HG1 VAL 50 2.876 7.142 3.154 375 HG21 VAL 50 1HG2 VAL 50 1.513 7.626 -0.538 376 HG22 VAL 50 2HG2 VAL 50 0.684 7.379 0.999 377 HG23 VAL 50 3HG2 VAL 50 1.028 9.014 0.435 378 H GLU 51 H GLU 51 4.670 10.207 0.298 379 HA GLU 51 HA GLU 51 2.929 12.417 -0.561 380 HB2 GLU 51 1HB GLU 51 4.947 13.574 -1.257 381 HB3 GLU 51 2HB GLU 51 5.090 13.077 0.423 382 HG2 GLU 51 1HG GLU 51 6.432 11.137 -0.302 383 HG3 GLU 51 2HG GLU 51 6.349 11.735 -1.958 384 H GLU 52 H GLU 52 2.122 12.405 -2.552 385 HA GLU 52 HA GLU 52 2.720 10.252 -4.348 386 HB2 GLU 52 1HB GLU 52 0.858 12.600 -4.399 387 HB3 GLU 52 2HB GLU 52 1.149 11.685 -5.871 388 HG2 GLU 52 1HG GLU 52 0.130 9.789 -5.060 389 HG3 GLU 52 2HG GLU 52 0.382 10.246 -3.377 390 H SER 53 H SER 53 4.500 10.238 -5.543 391 HA SER 53 HA SER 53 5.094 12.453 -7.289 392 HB2 SER 53 1HB SER 53 6.251 12.821 -4.959 393 HB3 SER 53 2HB SER 53 7.384 11.604 -5.549 394 HG SER 53 HG SER 53 6.811 13.570 -7.375 395 H GLU 54 H GLU 54 7.303 11.898 -8.466 396 HA GLU 54 HA GLU 54 6.913 9.670 -10.020 397 HB2 GLU 54 1HB GLU 54 9.147 9.959 -10.841 398 HB3 GLU 54 2HB GLU 54 8.483 11.552 -10.507 399 HG2 GLU 54 1HG GLU 54 9.679 11.496 -8.313 400 HG3 GLU 54 2HG GLU 54 10.467 10.016 -8.854 401 H LEU 55 H LEU 55 8.775 9.935 -7.034 402 HA LEU 55 HA LEU 55 9.827 7.292 -7.128 403 HB2 LEU 55 1HB LEU 55 9.499 9.265 -4.879 404 HB3 LEU 55 2HB LEU 55 10.288 7.701 -4.689 405 HG LEU 55 HG LEU 55 11.221 9.907 -6.524 406 HD11 LEU 55 1HD1 LEU 55 11.390 10.314 -4.024 407 HD12 LEU 55 2HD1 LEU 55 12.888 10.412 -4.948 408 HD13 LEU 55 3HD1 LEU 55 12.536 8.974 -3.990 409 HD21 LEU 55 1HD2 LEU 55 12.327 7.194 -5.839 410 HD22 LEU 55 2HD2 LEU 55 13.302 8.477 -6.557 411 HD23 LEU 55 3HD2 LEU 55 11.910 7.833 -7.430 412 H LEU 56 H LEU 56 6.813 8.645 -6.145 413 HA LEU 56 HA LEU 56 5.951 5.988 -5.227 414 HB2 LEU 56 1HB LEU 56 6.305 7.617 -3.343 415 HB3 LEU 56 2HB LEU 56 4.999 8.581 -4.030 416 HG LEU 56 HG LEU 56 4.441 5.732 -3.386 417 HD11 LEU 56 1HD1 LEU 56 4.903 7.900 -1.366 418 HD12 LEU 56 2HD1 LEU 56 5.506 6.243 -1.371 419 HD13 LEU 56 3HD1 LEU 56 3.800 6.560 -1.053 420 HD21 LEU 56 1HD2 LEU 56 2.937 7.742 -4.363 421 HD22 LEU 56 2HD2 LEU 56 2.639 7.941 -2.635 422 HD23 LEU 56 3HD2 LEU 56 2.288 6.400 -3.420 423 H VAL 57 H VAL 57 4.693 5.325 -6.858 424 HA VAL 57 HA VAL 57 2.798 7.221 -8.056 425 HB VAL 57 HB VAL 57 3.397 4.451 -9.073 426 HG11 VAL 57 1HG1 VAL 57 1.470 5.256 -10.107 427 HG12 VAL 57 2HG1 VAL 57 2.089 6.907 -10.189 428 HG13 VAL 57 3HG1 VAL 57 2.752 5.662 -11.248 429 HG21 VAL 57 1HG2 VAL 57 4.770 6.125 -10.735 430 HG22 VAL 57 2HG2 VAL 57 5.071 6.850 -9.156 431 HG23 VAL 57 3HG2 VAL 57 5.491 5.162 -9.446 432 H VAL 58 H VAL 58 0.627 6.935 -7.951 433 HA VAL 58 HA VAL 58 -0.371 4.530 -6.575 434 HB VAL 58 HB VAL 58 -1.363 7.348 -6.123 435 HG11 VAL 58 1HG1 VAL 58 -2.428 4.687 -5.462 436 HG12 VAL 58 2HG1 VAL 58 -2.430 5.854 -4.138 437 HG13 VAL 58 3HG1 VAL 58 -3.260 6.230 -5.648 438 HG21 VAL 58 1HG2 VAL 58 0.721 5.786 -4.850 439 HG22 VAL 58 2HG2 VAL 58 0.320 7.494 -4.666 440 HG23 VAL 58 3HG2 VAL 58 -0.528 6.281 -3.707 441 H LYS 59 H LYS 59 -1.858 3.481 -7.708 442 HA LYS 59 HA LYS 59 -3.405 4.978 -9.722 443 HB2 LYS 59 1HB LYS 59 -2.594 2.069 -9.861 444 HB3 LYS 59 2HB LYS 59 -3.436 2.985 -11.104 445 HG2 LYS 59 1HG LYS 59 -0.790 3.978 -10.196 446 HG3 LYS 59 2HG LYS 59 -0.839 2.537 -11.216 447 HD2 LYS 59 1HD LYS 59 -1.680 3.680 -13.022 448 HD3 LYS 59 2HD LYS 59 -2.440 4.919 -12.021 449 HE2 LYS 59 1HE LYS 59 -0.041 5.615 -11.424 450 HE3 LYS 59 2HE LYS 59 0.441 4.642 -12.813 451 HZ1 LYS 59 1HZ LYS 59 -1.507 6.880 -12.921 452 HZ2 LYS 59 2HZ LYS 59 -0.911 6.000 -14.236 453 HZ3 LYS 59 3HZ LYS 59 0.124 7.006 -13.352 454 H MET 60 H MET 60 -5.530 4.007 -10.246 455 HA MET 60 HA MET 60 -6.693 2.411 -8.089 456 HB2 MET 60 1HB MET 60 -7.002 4.933 -7.705 457 HB3 MET 60 2HB MET 60 -8.100 4.881 -9.078 458 HG2 MET 60 1HG MET 60 -9.586 3.427 -7.951 459 HG3 MET 60 2HG MET 60 -8.419 3.122 -6.666 460 HE1 MET 60 1HE MET 60 -9.300 6.869 -8.114 461 HE2 MET 60 2HE MET 60 -10.532 5.666 -8.497 462 HE3 MET 60 3HE MET 60 -10.874 6.936 -7.322 463 H ASP 61 H ASP 61 -7.554 0.708 -9.065 464 HA ASP 61 HA ASP 61 -8.855 1.090 -11.681 465 HB2 ASP 61 1HB ASP 61 -7.175 -1.096 -10.565 466 HB3 ASP 61 2HB ASP 61 -8.501 -1.564 -11.626 467 H GLY 62 H GLY 62 -10.773 1.767 -10.471 468 HA2 GLY 62 1HA GLY 62 -12.752 1.388 -9.326 469 HA3 GLY 62 2HA GLY 62 -12.829 0.025 -10.433 470 H ARG 63 H ARG 63 -12.176 1.056 -7.184 471 HA ARG 63 HA ARG 63 -12.116 -0.074 -5.210 472 HB2 ARG 63 1HB ARG 63 -13.090 -2.420 -6.852 473 HB3 ARG 63 2HB ARG 63 -13.113 -2.309 -5.097 474 HG2 ARG 63 1HG ARG 63 -14.747 -0.581 -5.147 475 HG3 ARG 63 2HG ARG 63 -14.591 -0.407 -6.896 476 HD2 ARG 63 1HD ARG 63 -15.741 -2.361 -7.326 477 HD3 ARG 63 2HD ARG 63 -15.371 -3.047 -5.745 478 HE ARG 63 HE ARG 63 -17.018 -0.754 -5.488 479 HH11 ARG 63 2HH1 ARG 63 -17.091 -4.112 -6.405 480 HH12 ARG 63 1HH1 ARG 63 -18.758 -4.326 -5.984 481 HH21 ARG 63 2HH2 ARG 63 -19.213 -1.023 -4.930 482 HH22 ARG 63 1HH2 ARG 63 -19.964 -2.568 -5.146 483 H LYS 64 H LYS 64 -9.851 -0.065 -7.148 484 HA LYS 64 HA LYS 64 -8.321 -2.240 -5.901 485 HB2 LYS 64 1HB LYS 64 -8.185 -1.436 -8.813 486 HB3 LYS 64 2HB LYS 64 -7.105 -2.582 -8.030 487 HG2 LYS 64 1HG LYS 64 -9.097 -3.987 -7.504 488 HG3 LYS 64 2HG LYS 64 -10.063 -2.885 -8.488 489 HD2 LYS 64 1HD LYS 64 -9.131 -3.600 -10.448 490 HD3 LYS 64 2HD LYS 64 -7.594 -4.022 -9.690 491 HE2 LYS 64 1HE LYS 64 -8.633 -5.984 -8.672 492 HE3 LYS 64 2HE LYS 64 -10.178 -5.554 -9.402 493 HZ1 LYS 64 1HZ LYS 64 -8.675 -7.285 -10.551 494 HZ2 LYS 64 2HZ LYS 64 -7.806 -5.942 -11.102 495 HZ3 LYS 64 3HZ LYS 64 -9.442 -6.111 -11.498 496 H HIS 65 H HIS 65 -7.011 -1.147 -4.569 497 HA HIS 65 HA HIS 65 -5.630 1.234 -5.612 498 HB2 HIS 65 1HB HIS 65 -6.343 0.397 -2.805 499 HB3 HIS 65 2HB HIS 65 -5.162 1.662 -3.133 500 HD1 HIS 65 1HD HIS 65 -6.051 3.910 -4.032 501 HD2 HIS 65 2HD HIS 65 -9.013 1.093 -3.292 502 HE1 HIS 65 1HE HIS 65 -8.221 5.178 -4.117 503 HE2 HIS 65 2HE HIS 65 -9.992 3.470 -3.582 504 H ARG 66 H ARG 66 -3.613 0.889 -6.241 505 HA ARG 66 HA ARG 66 -1.943 -0.960 -4.681 506 HB2 ARG 66 1HB ARG 66 -0.854 -1.622 -6.864 507 HB3 ARG 66 2HB ARG 66 -2.488 -2.224 -6.615 508 HG2 ARG 66 1HG ARG 66 -3.399 -0.704 -8.155 509 HG3 ARG 66 2HG ARG 66 -1.933 0.279 -8.173 510 HD2 ARG 66 1HD ARG 66 -1.633 -0.864 -10.121 511 HD3 ARG 66 2HD ARG 66 -0.863 -1.993 -9.008 512 HE ARG 66 HE ARG 66 -2.563 -3.488 -9.389 513 HH11 ARG 66 2HH1 ARG 66 -3.452 -0.367 -10.650 514 HH12 ARG 66 1HH1 ARG 66 -4.860 -0.955 -11.471 515 HH21 ARG 66 2HH2 ARG 66 -4.414 -4.274 -10.466 516 HH22 ARG 66 1HH2 ARG 66 -5.407 -3.177 -11.365 517 H LEU 67 H LEU 67 0.203 -0.386 -4.457 518 HA LEU 67 HA LEU 67 0.879 2.323 -5.391 519 HB2 LEU 67 1HB LEU 67 0.701 1.655 -2.865 520 HB3 LEU 67 2HB LEU 67 2.305 0.980 -3.141 521 HG LEU 67 HG LEU 67 1.594 3.860 -3.673 522 HD11 LEU 67 1HD1 LEU 67 2.990 4.193 -1.546 523 HD12 LEU 67 2HD1 LEU 67 2.609 2.507 -1.199 524 HD13 LEU 67 3HD1 LEU 67 1.310 3.687 -1.367 525 HD21 LEU 67 1HD2 LEU 67 3.628 4.007 -4.543 526 HD22 LEU 67 2HD2 LEU 67 3.816 2.262 -4.360 527 HD23 LEU 67 3HD2 LEU 67 4.337 3.346 -3.069 528 H ILE 68 H ILE 68 2.418 2.478 -6.872 529 HA ILE 68 HA ILE 68 4.206 0.190 -7.298 530 HB ILE 68 HB ILE 68 3.348 2.446 -9.094 531 HG12 ILE 68 1HG1 ILE 68 3.373 -0.447 -9.835 532 HG13 ILE 68 2HG1 ILE 68 2.138 0.118 -8.714 533 HG21 ILE 68 1HG2 ILE 68 5.767 2.176 -9.336 534 HG22 ILE 68 2HG2 ILE 68 5.546 0.451 -9.625 535 HG23 ILE 68 3HG2 ILE 68 4.910 1.626 -10.776 536 HD11 ILE 68 1HD1 ILE 68 1.686 0.059 -11.280 537 HD12 ILE 68 2HD1 ILE 68 1.099 1.402 -10.298 538 HD13 ILE 68 3HD1 ILE 68 2.561 1.590 -11.265 539 H LEU 69 H LEU 69 6.451 0.516 -7.644 540 HA LEU 69 HA LEU 69 7.535 3.108 -6.817 541 HB2 LEU 69 1HB LEU 69 8.194 0.443 -5.584 542 HB3 LEU 69 2HB LEU 69 9.217 1.867 -5.409 543 HG LEU 69 HG LEU 69 6.340 1.921 -4.564 544 HD11 LEU 69 1HD1 LEU 69 6.800 1.045 -2.475 545 HD12 LEU 69 2HD1 LEU 69 8.540 1.274 -2.646 546 HD13 LEU 69 3HD1 LEU 69 7.728 -0.012 -3.538 547 HD21 LEU 69 1HD2 LEU 69 8.150 3.899 -4.774 548 HD22 LEU 69 2HD2 LEU 69 8.480 3.356 -3.128 549 HD23 LEU 69 3HD2 LEU 69 6.856 3.883 -3.575 550 HA PRO 70 HA PRO 70 9.976 2.137 -10.423 551 HB2 PRO 70 1HB PRO 70 11.362 4.471 -10.439 552 HB3 PRO 70 2HB PRO 70 9.697 4.339 -11.018 553 HG2 PRO 70 1HG PRO 70 10.714 5.317 -8.377 554 HG3 PRO 70 2HG PRO 70 9.436 5.993 -9.404 555 HD2 PRO 70 1HD PRO 70 8.904 4.471 -7.229 556 HD3 PRO 70 2HD PRO 70 7.867 4.472 -8.671 557 H GLU 71 H GLU 71 11.343 3.433 -7.417 558 HA GLU 71 HA GLU 71 13.653 1.657 -7.790 559 HB2 GLU 71 1HB GLU 71 14.181 4.072 -8.365 560 HB3 GLU 71 2HB GLU 71 13.896 4.449 -6.671 561 HG2 GLU 71 1HG GLU 71 15.648 2.599 -6.220 562 HG3 GLU 71 2HG GLU 71 16.095 2.852 -7.906 563 H ALA 72 H ALA 72 13.124 0.174 -6.270 564 HA ALA 72 HA ALA 72 12.091 0.931 -3.691 565 HB1 ALA 72 1HB ALA 72 11.326 -1.127 -4.672 566 HB2 ALA 72 2HB ALA 72 12.978 -1.736 -4.781 567 HB3 ALA 72 3HB ALA 72 12.229 -1.495 -3.202 568 H LYS 73 H LYS 73 13.548 2.082 -2.518 569 HA LYS 73 HA LYS 73 16.287 1.117 -2.265 570 HB2 LYS 73 1HB LYS 73 14.880 3.615 -1.335 571 HB3 LYS 73 2HB LYS 73 16.515 3.215 -0.825 572 HG2 LYS 73 1HG LYS 73 17.123 3.101 -3.268 573 HG3 LYS 73 2HG LYS 73 15.539 3.804 -3.605 574 HD2 LYS 73 1HD LYS 73 17.312 5.136 -1.612 575 HD3 LYS 73 2HD LYS 73 17.670 5.325 -3.330 576 HE2 LYS 73 1HE LYS 73 16.278 7.114 -2.993 577 HE3 LYS 73 2HE LYS 73 15.109 5.885 -3.475 578 HZ1 LYS 73 1HZ LYS 73 15.213 5.525 -0.823 579 HZ2 LYS 73 2HZ LYS 73 14.076 6.505 -1.603 580 HZ3 LYS 73 3HZ LYS 73 15.462 7.196 -0.922 581 H VAL 74 H VAL 74 17.119 1.569 0.160 582 HA VAL 74 HA VAL 74 15.968 -0.501 1.723 583 HB VAL 74 HB VAL 74 17.981 1.609 2.513 584 HG11 VAL 74 1HG1 VAL 74 18.506 -0.453 4.142 585 HG12 VAL 74 2HG1 VAL 74 17.420 0.868 4.577 586 HG13 VAL 74 3HG1 VAL 74 16.762 -0.652 3.972 587 HG21 VAL 74 1HG2 VAL 74 19.671 0.103 1.926 588 HG22 VAL 74 2HG2 VAL 74 18.556 -1.262 1.853 589 HG23 VAL 74 3HG2 VAL 74 18.511 -0.019 0.603 590 H GLN 75 H GLN 75 15.528 2.944 1.596 591 HA GLN 75 HA GLN 75 14.389 3.314 4.156 592 HB2 GLN 75 1HB GLN 75 14.121 4.873 1.586 593 HB3 GLN 75 2HB GLN 75 13.394 5.388 3.102 594 HG2 GLN 75 1HG GLN 75 15.475 5.748 4.110 595 HG3 GLN 75 2HG GLN 75 16.328 4.830 2.870 596 HE21 GLN 75 1HE2 GLN 75 17.046 7.408 3.672 597 HE22 GLN 75 2HE2 GLN 75 16.806 8.483 2.341 598 H ASP 76 H ASP 76 12.975 2.608 0.988 599 HA ASP 76 HA ASP 76 10.278 2.784 1.725 600 HB2 ASP 76 1HB ASP 76 11.213 2.616 -0.622 601 HB3 ASP 76 2HB ASP 76 11.401 0.887 -0.340 602 H SER 77 H SER 77 12.628 0.592 2.714 603 HA SER 77 HA SER 77 11.063 -1.762 2.975 604 HB2 SER 77 1HB SER 77 13.381 -1.121 4.778 605 HB3 SER 77 2HB SER 77 12.887 -2.681 4.120 606 HG SER 77 HG SER 77 13.436 -1.003 2.109 607 H GLY 78 H GLY 78 9.100 -1.208 3.932 608 HA2 GLY 78 1HA GLY 78 9.153 -1.148 6.816 609 HA3 GLY 78 2HA GLY 78 8.540 0.334 6.095 610 H GLU 79 H GLU 79 6.448 0.141 6.808 611 HA GLU 79 HA GLU 79 4.914 -2.076 5.623 612 HB2 GLU 79 1HB GLU 79 5.155 -2.322 8.088 613 HB3 GLU 79 2HB GLU 79 4.359 -0.768 8.290 614 HG2 GLU 79 1HG GLU 79 2.572 -2.124 8.581 615 HG3 GLU 79 2HG GLU 79 2.495 -1.943 6.829 616 H PHE 80 H PHE 80 3.145 -1.527 4.489 617 HA PHE 80 HA PHE 80 2.452 1.329 4.390 618 HB2 PHE 80 1HB PHE 80 2.217 -0.884 2.358 619 HB3 PHE 80 2HB PHE 80 1.357 0.641 2.175 620 HD1 PHE 80 1HD PHE 80 4.816 -0.472 3.041 621 HD2 PHE 80 2HD PHE 80 2.347 2.165 0.790 622 HE1 PHE 80 1HE PHE 80 6.819 0.529 2.023 623 HE2 PHE 80 2HE PHE 80 4.346 3.170 -0.233 624 HZ PHE 80 HZ PHE 80 6.586 2.352 0.383 625 H GLU 81 H GLU 81 0.143 1.820 3.916 626 HA GLU 81 HA GLU 81 -1.821 -0.149 4.681 627 HB2 GLU 81 1HB GLU 81 -1.157 0.489 6.889 628 HB3 GLU 81 2HB GLU 81 -1.187 2.196 6.470 629 HG2 GLU 81 1HG GLU 81 -3.722 1.640 5.945 630 HG3 GLU 81 2HG GLU 81 -3.418 0.359 7.118 631 H CYS 82 H CYS 82 -3.696 0.246 3.679 632 HA CYS 82 HA CYS 82 -3.970 2.787 2.256 633 HB2 CYS 82 1HB CYS 82 -4.155 0.727 0.933 634 HB3 CYS 82 2HB CYS 82 -5.494 0.192 1.942 635 HG CYS 82 HG CYS 82 -5.651 3.071 0.111 636 H ARG 83 H ARG 83 -4.538 3.910 4.254 637 HA ARG 83 HA ARG 83 -6.765 3.302 5.829 638 HB2 ARG 83 1HB ARG 83 -5.057 4.947 6.473 639 HB3 ARG 83 2HB ARG 83 -5.602 6.018 5.189 640 HG2 ARG 83 1HG ARG 83 -7.539 5.108 7.266 641 HG3 ARG 83 2HG ARG 83 -6.390 6.395 7.639 642 HD2 ARG 83 1HD ARG 83 -7.240 7.374 5.355 643 HD3 ARG 83 2HD ARG 83 -8.644 6.361 5.688 644 HE ARG 83 HE ARG 83 -7.822 8.091 7.857 645 HH11 ARG 83 2HH1 ARG 83 -9.856 7.685 5.061 646 HH12 ARG 83 1HH1 ARG 83 -11.000 8.887 5.557 647 HH21 ARG 83 2HH2 ARG 83 -9.321 9.677 8.521 648 HH22 ARG 83 1HH2 ARG 83 -10.694 10.021 7.525 649 H THR 84 H THR 84 -8.870 3.345 5.428 650 HA THR 84 HA THR 84 -9.915 5.191 3.403 651 HB THR 84 HB THR 84 -9.605 2.950 2.345 652 HG1 THR 84 1HG THR 84 -12.366 3.552 2.635 653 HG21 THR 84 1HG2 THR 84 -11.201 2.150 4.699 654 HG22 THR 84 2HG2 THR 84 -10.004 1.240 3.777 655 HG23 THR 84 3HG2 THR 84 -11.650 1.401 3.168 656 H GLU 85 H GLU 85 -12.335 5.330 3.496 657 HA GLU 85 HA GLU 85 -13.160 5.882 6.143 658 HB2 GLU 85 1HB GLU 85 -13.984 6.976 3.997 659 HB3 GLU 85 2HB GLU 85 -14.993 5.555 3.772 660 HG2 GLU 85 1HG GLU 85 -16.434 7.037 4.784 661 HG3 GLU 85 2HG GLU 85 -15.859 6.076 6.145 662 H GLY 86 H GLY 86 -12.770 3.824 7.180 663 HA2 GLY 86 1HA GLY 86 -14.820 2.394 8.045 664 HA3 GLY 86 2HA GLY 86 -14.580 1.644 6.474 665 H VAL 87 H VAL 87 -12.245 0.954 6.051 666 HA VAL 87 HA VAL 87 -10.953 0.006 8.512 667 HB VAL 87 HB VAL 87 -10.549 -2.198 7.467 668 HG11 VAL 87 1HG1 VAL 87 -13.417 -1.353 7.830 669 HG12 VAL 87 2HG1 VAL 87 -12.904 -3.034 7.675 670 HG13 VAL 87 3HG1 VAL 87 -12.340 -2.060 9.034 671 HG21 VAL 87 1HG2 VAL 87 -12.697 -1.742 5.476 672 HG22 VAL 87 2HG2 VAL 87 -11.103 -1.079 5.115 673 HG23 VAL 87 3HG2 VAL 87 -11.294 -2.808 5.405 674 H SER 88 H SER 88 -8.832 -1.279 7.673 675 HA SER 88 HA SER 88 -7.554 0.124 5.472 676 HB2 SER 88 1HB SER 88 -6.046 0.153 8.052 677 HB3 SER 88 2HB SER 88 -5.932 1.247 6.673 678 HG SER 88 HG SER 88 -8.171 1.876 7.361 679 H ALA 89 H ALA 89 -5.568 -0.845 4.800 680 HA ALA 89 HA ALA 89 -5.342 -3.648 5.658 681 HB1 ALA 89 1HB ALA 89 -4.724 -2.271 3.064 682 HB2 ALA 89 2HB ALA 89 -4.085 -3.872 3.443 683 HB3 ALA 89 3HB ALA 89 -5.828 -3.613 3.370 684 H PHE 90 H PHE 90 -3.048 -4.550 5.303 685 HA PHE 90 HA PHE 90 -0.974 -2.616 6.016 686 HB2 PHE 90 1HB PHE 90 -1.609 -5.092 7.633 687 HB3 PHE 90 2HB PHE 90 -0.179 -4.090 7.854 688 HD1 PHE 90 1HD PHE 90 -3.892 -3.928 7.878 689 HD2 PHE 90 2HD PHE 90 -0.234 -2.301 9.322 690 HE1 PHE 90 1HE PHE 90 -5.148 -2.489 9.429 691 HE2 PHE 90 2HE PHE 90 -1.483 -0.860 10.876 692 HZ PHE 90 HZ PHE 90 -3.944 -0.953 10.931 693 H PHE 91 H PHE 91 0.711 -2.923 4.734 694 HA PHE 91 HA PHE 91 1.239 -5.643 3.732 695 HB2 PHE 91 1HB PHE 91 1.754 -3.012 2.329 696 HB3 PHE 91 2HB PHE 91 2.155 -4.605 1.695 697 HD1 PHE 91 1HD PHE 91 0.404 -6.118 0.934 698 HD2 PHE 91 2HD PHE 91 -0.500 -2.199 2.324 699 HE1 PHE 91 1HE PHE 91 -1.831 -6.277 -0.083 700 HE2 PHE 91 2HE PHE 91 -2.737 -2.351 1.310 701 HZ PHE 91 HZ PHE 91 -3.405 -4.393 0.105 702 H GLY 92 H GLY 92 2.973 -6.456 4.706 703 HA2 GLY 92 1HA GLY 92 5.013 -4.727 5.815 704 HA3 GLY 92 2HA GLY 92 4.945 -6.479 5.939 705 H VAL 93 H VAL 93 6.145 -3.777 4.152 706 HA VAL 93 HA VAL 93 7.379 -5.524 2.151 707 HB VAL 93 HB VAL 93 7.303 -2.507 2.310 708 HG11 VAL 93 1HG1 VAL 93 8.789 -4.381 0.608 709 HG12 VAL 93 2HG1 VAL 93 7.926 -3.111 -0.261 710 HG13 VAL 93 3HG1 VAL 93 9.106 -2.687 0.980 711 HG21 VAL 93 1HG2 VAL 93 5.649 -4.537 0.865 712 HG22 VAL 93 2HG2 VAL 93 5.133 -3.115 1.772 713 HG23 VAL 93 3HG2 VAL 93 5.875 -2.926 0.184 714 H THR 94 H THR 94 9.580 -5.712 1.890 715 HA THR 94 HA THR 94 11.360 -4.258 3.682 716 HB THR 94 HB THR 94 11.130 -7.270 3.686 717 HG1 THR 94 1HG THR 94 11.155 -6.554 6.087 718 HG21 THR 94 1HG2 THR 94 13.226 -5.601 5.074 719 HG22 THR 94 2HG2 THR 94 13.502 -6.473 3.566 720 HG23 THR 94 3HG2 THR 94 13.107 -7.359 5.038 721 H VAL 95 H VAL 95 12.816 -3.435 2.334 722 HA VAL 95 HA VAL 95 13.600 -4.931 -0.053 723 HB VAL 95 HB VAL 95 14.327 -2.104 0.725 724 HG11 VAL 95 1HG1 VAL 95 15.280 -3.846 -1.318 725 HG12 VAL 95 2HG1 VAL 95 14.372 -2.533 -2.070 726 HG13 VAL 95 3HG1 VAL 95 15.725 -2.170 -0.997 727 HG21 VAL 95 1HG2 VAL 95 12.452 -1.321 -0.262 728 HG22 VAL 95 2HG2 VAL 95 12.417 -2.609 -1.467 729 HG23 VAL 95 3HG2 VAL 95 11.821 -2.912 0.165 730 H GLN 96 H GLN 96 15.211 -6.328 0.269 731 HA GLN 96 HA GLN 96 17.364 -5.643 2.131 732 HB2 GLN 96 1HB GLN 96 16.580 -8.236 0.799 733 HB3 GLN 96 2HB GLN 96 18.043 -8.050 1.757 734 HG2 GLN 96 1HG GLN 96 16.866 -7.774 3.737 735 HG3 GLN 96 2HG GLN 96 15.372 -7.350 2.902 736 HE21 GLN 96 1HE2 GLN 96 14.464 -8.962 4.368 737 HE22 GLN 96 2HE2 GLN 96 14.511 -10.626 3.907 738 H ASP 97 H ASP 97 19.231 -4.880 1.412 739 HA ASP 97 HA ASP 97 19.781 -4.440 -1.305 740 HB2 ASP 97 1HB ASP 97 22.017 -3.757 -0.557 741 HB3 ASP 97 2HB ASP 97 20.766 -3.083 0.484 742 HA PRO 98 HA PRO 98 21.343 -8.341 -2.632 743 HB2 PRO 98 1HB PRO 98 22.713 -7.500 -4.821 744 HB3 PRO 98 2HB PRO 98 20.948 -7.594 -4.769 745 HG2 PRO 98 1HG PRO 98 22.729 -5.215 -4.407 746 HG3 PRO 98 2HG PRO 98 21.218 -5.353 -5.326 747 HD2 PRO 98 1HD PRO 98 21.327 -4.248 -2.855 748 HD3 PRO 98 2HD PRO 98 19.907 -5.139 -3.442 749 H SER 99 H SER 99 23.651 -8.981 -3.772 750 HA SER 99 HA SER 99 25.910 -7.761 -2.462 751 HB2 SER 99 1HB SER 99 24.763 -10.362 -1.523 752 HB3 SER 99 2HB SER 99 26.512 -10.140 -1.498 753 HG SER 99 HG SER 99 26.232 -9.037 0.255 754 H GLY 100 H GLY 100 27.958 -9.060 -2.952 755 HA2 GLY 100 1HA GLY 100 29.361 -10.033 -4.490 756 HA3 GLY 100 2HA GLY 100 27.975 -10.957 -5.051 757 HA PRO 101 HA PRO 101 29.252 -7.311 -7.938 758 HB2 PRO 101 1HB PRO 101 31.153 -8.483 -9.482 759 HB3 PRO 101 2HB PRO 101 31.534 -7.562 -8.022 760 HG2 PRO 101 1HG PRO 101 31.326 -10.526 -8.393 761 HG3 PRO 101 2HG PRO 101 32.537 -9.593 -7.495 762 HD2 PRO 101 1HD PRO 101 30.473 -10.853 -6.277 763 HD3 PRO 101 2HD PRO 101 31.166 -9.340 -5.660 764 H SER 102 H SER 102 28.026 -10.378 -7.974 765 HA SER 102 HA SER 102 27.779 -11.379 -10.434 766 HB2 SER 102 1HB SER 102 26.502 -12.296 -8.591 767 HB3 SER 102 2HB SER 102 25.488 -10.854 -8.527 768 HG SER 102 HG SER 102 25.668 -12.397 -10.880 769 H SER 103 H SER 103 25.589 -8.789 -9.324 770 HA SER 103 HA SER 103 24.899 -8.184 -12.084 771 HB2 SER 103 1HB SER 103 23.896 -6.971 -9.496 772 HB3 SER 103 2HB SER 103 23.247 -6.639 -11.102 773 HG SER 103 HG SER 103 23.125 -9.162 -11.027 774 H GLY 104 H GLY 104 26.119 -6.835 -13.219 775 HA2 GLY 104 1HA GLY 104 27.514 -4.665 -11.781 776 HA3 GLY 104 2HA GLY 104 28.109 -5.420 -13.252 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -31.545 3.630 -1.807 2 HA2 GLY 1 1HA GLY 1 -31.945 1.639 -3.392 3 HA3 GLY 1 2HA GLY 1 -30.199 1.471 -3.290 4 H SER 2 H SER 2 -29.982 -0.417 -2.225 5 HA SER 2 HA SER 2 -31.558 -1.581 -0.345 6 HB2 SER 2 1HB SER 2 -29.512 -2.708 0.518 7 HB3 SER 2 2HB SER 2 -29.602 -2.708 -1.243 8 HG SER 2 HG SER 2 -27.846 -1.560 -1.310 9 H SER 3 H SER 3 -31.583 -1.684 1.945 10 HA SER 3 HA SER 3 -30.544 0.737 3.269 11 HB2 SER 3 1HB SER 3 -33.224 -0.608 3.504 12 HB3 SER 3 2HB SER 3 -32.592 0.374 4.825 13 HG SER 3 HG SER 3 -32.330 2.065 3.194 14 H GLY 4 H GLY 4 -29.521 0.491 5.197 15 HA2 GLY 4 1HA GLY 4 -28.630 -0.548 7.054 16 HA3 GLY 4 2HA GLY 4 -29.767 -1.865 6.803 17 H SER 5 H SER 5 -26.949 -0.499 5.091 18 HA SER 5 HA SER 5 -26.122 -3.187 4.341 19 HB2 SER 5 1HB SER 5 -26.077 -1.232 2.731 20 HB3 SER 5 2HB SER 5 -24.737 -0.583 3.676 21 HG SER 5 HG SER 5 -23.943 -1.802 1.953 22 H SER 6 H SER 6 -23.910 -3.907 4.666 23 HA SER 6 HA SER 6 -23.063 -3.469 7.372 24 HB2 SER 6 1HB SER 6 -21.955 -5.167 5.131 25 HB3 SER 6 2HB SER 6 -21.236 -5.105 6.740 26 HG SER 6 HG SER 6 -23.262 -6.589 5.930 27 H GLY 7 H GLY 7 -22.274 -1.417 7.631 28 HA2 GLY 7 1HA GLY 7 -20.740 0.289 7.569 29 HA3 GLY 7 2HA GLY 7 -19.589 -0.920 7.018 30 HA PRO 8 HA PRO 8 -20.785 2.237 3.646 31 HB2 PRO 8 1HB PRO 8 -18.578 3.813 3.753 32 HB3 PRO 8 2HB PRO 8 -20.040 4.143 4.689 33 HG2 PRO 8 1HG PRO 8 -17.492 2.832 5.554 34 HG3 PRO 8 2HG PRO 8 -18.475 4.038 6.405 35 HD2 PRO 8 1HD PRO 8 -18.577 1.397 6.995 36 HD3 PRO 8 2HD PRO 8 -19.986 2.465 7.150 37 H VAL 9 H VAL 9 -17.478 1.197 4.494 38 HA VAL 9 HA VAL 9 -17.266 -0.178 1.936 39 HB VAL 9 HB VAL 9 -16.405 2.004 1.361 40 HG11 VAL 9 1HG1 VAL 9 -15.562 3.267 2.990 41 HG12 VAL 9 2HG1 VAL 9 -15.274 1.866 4.023 42 HG13 VAL 9 3HG1 VAL 9 -14.072 2.339 2.823 43 HG21 VAL 9 1HG2 VAL 9 -15.113 0.625 0.130 44 HG22 VAL 9 2HG2 VAL 9 -13.831 1.206 1.193 45 HG23 VAL 9 3HG2 VAL 9 -14.621 -0.335 1.526 46 H HIS 10 H HIS 10 -16.236 -2.061 2.159 47 HA HIS 10 HA HIS 10 -14.439 -2.414 4.465 48 HB2 HIS 10 1HB HIS 10 -15.304 -4.759 4.635 49 HB3 HIS 10 2HB HIS 10 -16.493 -3.525 5.039 50 HD1 HIS 10 1HD HIS 10 -18.673 -3.682 3.858 51 HD2 HIS 10 2HD HIS 10 -15.683 -5.809 1.909 52 HE1 HIS 10 1HE HIS 10 -19.826 -4.899 1.984 53 HE2 HIS 10 2HE HIS 10 -18.012 -6.246 0.871 54 H ILE 11 H ILE 11 -12.532 -3.369 4.049 55 HA ILE 11 HA ILE 11 -11.716 -3.754 1.356 56 HB ILE 11 HB ILE 11 -10.350 -4.436 3.958 57 HG12 ILE 11 1HG1 ILE 11 -9.582 -2.294 1.990 58 HG13 ILE 11 2HG1 ILE 11 -10.812 -2.000 3.214 59 HG21 ILE 11 1HG2 ILE 11 -8.290 -4.647 2.568 60 HG22 ILE 11 2HG2 ILE 11 -9.474 -5.926 2.304 61 HG23 ILE 11 3HG2 ILE 11 -9.316 -4.616 1.134 62 HD11 ILE 11 1HD1 ILE 11 -8.112 -3.034 3.974 63 HD12 ILE 11 2HD1 ILE 11 -8.390 -1.314 3.703 64 HD13 ILE 11 3HD1 ILE 11 -9.292 -2.166 4.956 65 H LEU 12 H LEU 12 -11.227 -5.622 0.237 66 HA LEU 12 HA LEU 12 -12.406 -8.081 1.340 67 HB2 LEU 12 1HB LEU 12 -11.770 -7.760 -1.553 68 HB3 LEU 12 2HB LEU 12 -13.033 -8.716 -0.780 69 HG LEU 12 HG LEU 12 -13.071 -5.708 -0.993 70 HD11 LEU 12 1HD1 LEU 12 -14.384 -7.811 -2.703 71 HD12 LEU 12 2HD1 LEU 12 -13.206 -6.602 -3.210 72 HD13 LEU 12 3HD1 LEU 12 -14.822 -6.103 -2.712 73 HD21 LEU 12 1HD2 LEU 12 -14.342 -6.862 0.875 74 HD22 LEU 12 2HD2 LEU 12 -15.345 -7.579 -0.387 75 HD23 LEU 12 3HD2 LEU 12 -15.284 -5.826 -0.197 76 H SER 13 H SER 13 -9.589 -6.759 -0.311 77 HA SER 13 HA SER 13 -7.980 -8.952 0.709 78 HB2 SER 13 1HB SER 13 -8.716 -9.784 -1.485 79 HB3 SER 13 2HB SER 13 -8.096 -8.322 -2.252 80 HG SER 13 HG SER 13 -6.519 -9.850 -2.455 81 HA PRO 14 HA PRO 14 -5.961 -9.576 0.846 82 HB2 PRO 14 1HB PRO 14 -4.400 -9.157 3.027 83 HB3 PRO 14 2HB PRO 14 -3.760 -9.185 1.380 84 HG2 PRO 14 1HG PRO 14 -4.458 -6.837 3.101 85 HG3 PRO 14 2HG PRO 14 -3.046 -7.078 2.056 86 HD2 PRO 14 1HD PRO 14 -5.174 -5.580 1.307 87 HD3 PRO 14 2HD PRO 14 -4.205 -6.510 0.146 88 H GLN 15 H GLN 15 -6.118 -10.626 3.163 89 HA GLN 15 HA GLN 15 -8.585 -9.584 4.337 90 HB2 GLN 15 1HB GLN 15 -7.215 -12.266 4.539 91 HB3 GLN 15 2HB GLN 15 -8.643 -11.838 5.472 92 HG2 GLN 15 1HG GLN 15 -9.944 -11.584 3.476 93 HG3 GLN 15 2HG GLN 15 -8.515 -11.808 2.467 94 HE21 GLN 15 1HE2 GLN 15 -10.980 -13.332 4.306 95 HE22 GLN 15 2HE2 GLN 15 -10.563 -14.965 3.926 96 H ASP 16 H ASP 16 -5.306 -10.540 5.235 97 HA ASP 16 HA ASP 16 -5.536 -8.897 7.638 98 HB2 ASP 16 1HB ASP 16 -4.477 -11.729 7.725 99 HB3 ASP 16 2HB ASP 16 -4.595 -10.610 9.080 100 H LYS 17 H LYS 17 -3.281 -8.833 8.756 101 HA LYS 17 HA LYS 17 -1.488 -7.490 7.252 102 HB2 LYS 17 1HB LYS 17 -1.270 -7.697 9.668 103 HB3 LYS 17 2HB LYS 17 -0.842 -9.395 9.510 104 HG2 LYS 17 1HG LYS 17 1.229 -8.495 9.763 105 HG3 LYS 17 2HG LYS 17 1.087 -8.415 8.005 106 HD2 LYS 17 1HD LYS 17 0.172 -6.069 8.333 107 HD3 LYS 17 2HD LYS 17 0.716 -6.199 10.008 108 HE2 LYS 17 1HE LYS 17 2.534 -6.660 7.654 109 HE3 LYS 17 2HE LYS 17 2.308 -5.074 8.390 110 HZ1 LYS 17 1HZ LYS 17 3.815 -5.619 9.895 111 HZ2 LYS 17 2HZ LYS 17 3.984 -7.164 9.228 112 HZ3 LYS 17 3HZ LYS 17 2.836 -6.887 10.439 113 H VAL 18 H VAL 18 0.000 -7.889 5.725 114 HA VAL 18 HA VAL 18 0.486 -10.705 5.003 115 HB VAL 18 HB VAL 18 0.954 -9.899 2.715 116 HG11 VAL 18 1HG1 VAL 18 -1.672 -9.624 4.043 117 HG12 VAL 18 2HG1 VAL 18 -1.536 -8.961 2.413 118 HG13 VAL 18 3HG1 VAL 18 -1.178 -10.663 2.706 119 HG21 VAL 18 1HG2 VAL 18 1.625 -7.607 3.342 120 HG22 VAL 18 2HG2 VAL 18 0.415 -7.633 2.060 121 HG23 VAL 18 3HG2 VAL 18 -0.059 -7.238 3.712 122 H SER 19 H SER 19 2.601 -10.779 3.547 123 HA SER 19 HA SER 19 4.713 -9.089 4.622 124 HB2 SER 19 1HB SER 19 4.569 -12.073 5.056 125 HB3 SER 19 2HB SER 19 6.088 -11.181 5.136 126 HG SER 19 HG SER 19 5.462 -10.233 6.950 127 H LEU 20 H LEU 20 5.992 -8.508 3.006 128 HA LEU 20 HA LEU 20 6.470 -10.400 0.811 129 HB2 LEU 20 1HB LEU 20 6.039 -7.458 0.367 130 HB3 LEU 20 2HB LEU 20 6.164 -8.731 -0.846 131 HG LEU 20 HG LEU 20 3.911 -8.816 1.107 132 HD11 LEU 20 1HD1 LEU 20 2.823 -7.042 0.313 133 HD12 LEU 20 2HD1 LEU 20 3.267 -7.408 -1.354 134 HD13 LEU 20 3HD1 LEU 20 4.381 -6.512 -0.321 135 HD21 LEU 20 1HD2 LEU 20 4.518 -9.814 -1.637 136 HD22 LEU 20 2HD2 LEU 20 2.839 -9.566 -1.159 137 HD23 LEU 20 3HD2 LEU 20 3.862 -10.674 -0.245 138 H THR 21 H THR 21 8.387 -9.840 -0.494 139 HA THR 21 HA THR 21 10.343 -8.159 0.895 140 HB THR 21 HB THR 21 10.940 -10.992 0.023 141 HG1 THR 21 1HG THR 21 11.343 -10.531 2.634 142 HG21 THR 21 1HG2 THR 21 13.048 -10.458 1.428 143 HG22 THR 21 2HG2 THR 21 12.608 -8.772 1.155 144 HG23 THR 21 3HG2 THR 21 12.944 -9.829 -0.216 145 H PHE 22 H PHE 22 12.052 -7.404 -0.415 146 HA PHE 22 HA PHE 22 12.073 -8.086 -3.232 147 HB2 PHE 22 1HB PHE 22 11.463 -5.269 -2.312 148 HB3 PHE 22 2HB PHE 22 11.775 -5.754 -3.975 149 HD1 PHE 22 1HD PHE 22 9.400 -5.955 -1.181 150 HD2 PHE 22 2HD PHE 22 10.100 -6.834 -5.287 151 HE1 PHE 22 1HE PHE 22 7.004 -6.428 -1.486 152 HE2 PHE 22 2HE PHE 22 7.706 -7.307 -5.598 153 HZ PHE 22 HZ PHE 22 6.154 -7.103 -3.696 154 H THR 23 H THR 23 13.750 -6.567 -4.373 155 HA THR 23 HA THR 23 16.085 -6.396 -2.585 156 HB THR 23 HB THR 23 16.129 -6.723 -5.589 157 HG1 THR 23 1HG THR 23 16.913 -8.929 -4.771 158 HG21 THR 23 1HG2 THR 23 18.480 -7.454 -5.118 159 HG22 THR 23 2HG2 THR 23 18.253 -6.911 -3.455 160 HG23 THR 23 3HG2 THR 23 18.164 -5.753 -4.782 161 H THR 24 H THR 24 17.616 -4.692 -2.957 162 HA THR 24 HA THR 24 16.448 -2.157 -3.238 163 HB THR 24 HB THR 24 19.379 -2.866 -3.472 164 HG1 THR 24 1HG THR 24 17.776 -2.182 -1.214 165 HG21 THR 24 1HG2 THR 24 19.889 -0.648 -3.277 166 HG22 THR 24 2HG2 THR 24 18.417 -0.276 -2.379 167 HG23 THR 24 3HG2 THR 24 18.352 -0.500 -4.127 168 H SER 25 H SER 25 16.381 -0.686 -4.886 169 HA SER 25 HA SER 25 16.387 0.137 -7.008 170 HB2 SER 25 1HB SER 25 18.589 -1.873 -7.531 171 HB3 SER 25 2HB SER 25 18.207 -0.457 -8.510 172 HG SER 25 HG SER 25 19.966 -0.119 -7.046 173 H GLU 26 H GLU 26 14.429 -1.643 -6.453 174 HA GLU 26 HA GLU 26 14.143 -3.080 -9.003 175 HB2 GLU 26 1HB GLU 26 13.565 -4.084 -6.228 176 HB3 GLU 26 2HB GLU 26 12.745 -4.758 -7.629 177 HG2 GLU 26 1HG GLU 26 15.167 -5.047 -8.550 178 HG3 GLU 26 2HG GLU 26 15.614 -4.930 -6.849 179 H ARG 27 H ARG 27 11.711 -3.784 -9.217 180 HA ARG 27 HA ARG 27 10.123 -1.365 -8.707 181 HB2 ARG 27 1HB ARG 27 10.539 -2.300 -11.081 182 HB3 ARG 27 2HB ARG 27 9.378 -3.544 -10.640 183 HG2 ARG 27 1HG ARG 27 7.752 -1.713 -10.116 184 HG3 ARG 27 2HG ARG 27 8.910 -0.579 -10.814 185 HD2 ARG 27 1HD ARG 27 8.851 -2.009 -12.899 186 HD3 ARG 27 2HD ARG 27 7.473 -2.843 -12.180 187 HE ARG 27 HE ARG 27 6.163 -1.009 -12.628 188 HH11 ARG 27 2HH1 ARG 27 9.516 -0.188 -13.075 189 HH12 ARG 27 1HH1 ARG 27 9.178 1.344 -13.809 190 HH21 ARG 27 2HH2 ARG 27 5.704 1.006 -13.594 191 HH22 ARG 27 1HH2 ARG 27 7.009 2.023 -14.103 192 H VAL 28 H VAL 28 8.823 -1.505 -7.007 193 HA VAL 28 HA VAL 28 7.613 -4.109 -6.357 194 HB VAL 28 HB VAL 28 8.189 -1.723 -4.603 195 HG11 VAL 28 1HG1 VAL 28 6.294 -2.320 -3.539 196 HG12 VAL 28 2HG1 VAL 28 6.262 -3.925 -4.274 197 HG13 VAL 28 3HG1 VAL 28 7.304 -3.610 -2.885 198 HG21 VAL 28 1HG2 VAL 28 10.129 -2.833 -4.418 199 HG22 VAL 28 2HG2 VAL 28 9.218 -3.937 -3.387 200 HG23 VAL 28 3HG2 VAL 28 9.456 -4.318 -5.092 201 H VAL 29 H VAL 29 5.457 -4.345 -6.387 202 HA VAL 29 HA VAL 29 3.758 -1.955 -6.481 203 HB VAL 29 HB VAL 29 3.365 -4.265 -8.381 204 HG11 VAL 29 1HG1 VAL 29 1.311 -3.302 -8.296 205 HG12 VAL 29 2HG1 VAL 29 1.943 -1.733 -7.793 206 HG13 VAL 29 3HG1 VAL 29 2.048 -2.227 -9.483 207 HG21 VAL 29 1HG2 VAL 29 4.849 -1.684 -8.730 208 HG22 VAL 29 2HG2 VAL 29 5.336 -3.317 -9.186 209 HG23 VAL 29 3HG2 VAL 29 4.081 -2.483 -10.102 210 H LEU 30 H LEU 30 2.392 -2.142 -4.840 211 HA LEU 30 HA LEU 30 1.716 -4.715 -3.724 212 HB2 LEU 30 1HB LEU 30 0.804 -1.930 -3.019 213 HB3 LEU 30 2HB LEU 30 0.395 -3.383 -2.109 214 HG LEU 30 HG LEU 30 3.217 -2.404 -2.507 215 HD11 LEU 30 1HD1 LEU 30 1.613 -2.080 0.005 216 HD12 LEU 30 2HD1 LEU 30 1.638 -0.834 -1.243 217 HD13 LEU 30 3HD1 LEU 30 3.137 -1.314 -0.446 218 HD21 LEU 30 1HD2 LEU 30 3.526 -4.550 -1.859 219 HD22 LEU 30 2HD2 LEU 30 1.933 -4.673 -1.112 220 HD23 LEU 30 3HD2 LEU 30 3.247 -3.857 -0.261 221 H THR 31 H THR 31 -0.815 -4.644 -2.943 222 HA THR 31 HA THR 31 -2.601 -3.884 -5.078 223 HB THR 31 HB THR 31 -2.590 -6.816 -4.456 224 HG1 THR 31 1HG THR 31 -1.009 -5.499 -6.430 225 HG21 THR 31 1HG2 THR 31 -4.522 -6.016 -5.613 226 HG22 THR 31 2HG2 THR 31 -3.528 -6.878 -6.787 227 HG23 THR 31 3HG2 THR 31 -3.533 -5.115 -6.760 228 H CYS 32 H CYS 32 -4.723 -3.787 -4.428 229 HA CYS 32 HA CYS 32 -5.673 -5.086 -2.063 230 HB2 CYS 32 1HB CYS 32 -4.341 -3.216 -1.094 231 HB3 CYS 32 2HB CYS 32 -5.366 -2.078 -1.960 232 HG CYS 32 HG CYS 32 -6.414 -4.217 0.499 233 H GLU 33 H GLU 33 -7.835 -5.299 -2.141 234 HA GLU 33 HA GLU 33 -9.253 -3.787 -4.228 235 HB2 GLU 33 1HB GLU 33 -9.076 -6.388 -4.221 236 HB3 GLU 33 2HB GLU 33 -10.311 -6.297 -2.974 237 HG2 GLU 33 1HG GLU 33 -11.659 -6.490 -4.775 238 HG3 GLU 33 2HG GLU 33 -11.475 -4.737 -4.773 239 H LEU 34 H LEU 34 -11.166 -2.749 -3.789 240 HA LEU 34 HA LEU 34 -11.906 -2.572 -0.942 241 HB2 LEU 34 1HB LEU 34 -11.779 -0.505 -3.101 242 HB3 LEU 34 2HB LEU 34 -12.861 -0.291 -1.726 243 HG LEU 34 HG LEU 34 -9.864 -0.608 -1.556 244 HD11 LEU 34 1HD1 LEU 34 -9.779 1.546 -2.087 245 HD12 LEU 34 2HD1 LEU 34 -10.642 1.884 -0.587 246 HD13 LEU 34 3HD1 LEU 34 -11.537 1.679 -2.093 247 HD21 LEU 34 1HD2 LEU 34 -10.211 0.093 0.790 248 HD22 LEU 34 2HD2 LEU 34 -10.946 -1.466 0.420 249 HD23 LEU 34 3HD2 LEU 34 -11.953 -0.022 0.539 250 H SER 35 H SER 35 -14.232 -1.701 -0.697 251 HA SER 35 HA SER 35 -15.952 -3.273 -2.496 252 HB2 SER 35 1HB SER 35 -15.863 -3.870 -0.026 253 HB3 SER 35 2HB SER 35 -16.664 -2.330 0.285 254 HG SER 35 HG SER 35 -18.166 -3.298 -1.487 255 H ARG 36 H ARG 36 -14.985 -0.485 -2.877 256 HA ARG 36 HA ARG 36 -17.575 0.678 -3.488 257 HB2 ARG 36 1HB ARG 36 -15.681 1.798 -1.472 258 HB3 ARG 36 2HB ARG 36 -16.545 2.920 -2.515 259 HG2 ARG 36 1HG ARG 36 -18.630 1.513 -1.756 260 HG3 ARG 36 2HG ARG 36 -17.582 1.119 -0.391 261 HD2 ARG 36 1HD ARG 36 -18.696 3.009 0.353 262 HD3 ARG 36 2HD ARG 36 -17.185 3.671 -0.269 263 HE ARG 36 HE ARG 36 -18.373 4.768 -1.888 264 HH11 ARG 36 2HH1 ARG 36 -20.385 2.310 -0.464 265 HH12 ARG 36 1HH1 ARG 36 -21.822 2.829 -1.280 266 HH21 ARG 36 2HH2 ARG 36 -20.259 5.461 -2.969 267 HH22 ARG 36 1HH2 ARG 36 -21.749 4.621 -2.705 268 H VAL 37 H VAL 37 -17.450 1.257 -5.545 269 HA VAL 37 HA VAL 37 -14.942 1.608 -6.880 270 HB VAL 37 HB VAL 37 -17.751 2.101 -7.879 271 HG11 VAL 37 1HG1 VAL 37 -16.901 2.813 -9.808 272 HG12 VAL 37 2HG1 VAL 37 -15.332 2.908 -9.005 273 HG13 VAL 37 3HG1 VAL 37 -15.785 1.450 -9.889 274 HG21 VAL 37 1HG2 VAL 37 -16.008 -0.248 -8.544 275 HG22 VAL 37 2HG2 VAL 37 -17.052 -0.253 -7.122 276 HG23 VAL 37 3HG2 VAL 37 -17.754 -0.075 -8.730 277 H ASP 38 H ASP 38 -13.935 3.445 -7.502 278 HA ASP 38 HA ASP 38 -13.369 5.646 -7.595 279 HB2 ASP 38 1HB ASP 38 -16.322 5.694 -7.980 280 HB3 ASP 38 2HB ASP 38 -15.520 7.225 -7.640 281 H PHE 39 H PHE 39 -13.327 4.475 -5.089 282 HA PHE 39 HA PHE 39 -14.421 6.521 -3.290 283 HB2 PHE 39 1HB PHE 39 -14.699 3.900 -3.017 284 HB3 PHE 39 2HB PHE 39 -13.112 4.040 -2.266 285 HD1 PHE 39 2HD PHE 39 -16.389 5.830 -2.164 286 HD2 PHE 39 1HD PHE 39 -13.095 4.236 0.011 287 HE1 PHE 39 2HE PHE 39 -17.454 6.517 -0.054 288 HE2 PHE 39 1HE PHE 39 -14.155 4.919 2.124 289 HZ PHE 39 HZ PHE 39 -16.337 6.062 2.093 290 HA PRO 40 HA PRO 40 -10.415 8.277 -2.745 291 HB2 PRO 40 1HB PRO 40 -10.871 9.583 -0.409 292 HB3 PRO 40 2HB PRO 40 -11.511 10.138 -1.961 293 HG2 PRO 40 1HG PRO 40 -12.875 8.583 0.204 294 HG3 PRO 40 2HG PRO 40 -13.489 9.944 -0.753 295 HD2 PRO 40 1HD PRO 40 -14.139 7.372 -1.294 296 HD3 PRO 40 2HD PRO 40 -13.996 8.608 -2.561 297 H ALA 41 H ALA 41 -8.530 7.964 -1.573 298 HA ALA 41 HA ALA 41 -8.550 6.531 0.930 299 HB1 ALA 41 1HB ALA 41 -8.802 4.665 -0.580 300 HB2 ALA 41 2HB ALA 41 -7.431 5.218 -1.543 301 HB3 ALA 41 3HB ALA 41 -7.178 4.650 0.108 302 H THR 42 H THR 42 -6.385 6.300 1.846 303 HA THR 42 HA THR 42 -4.339 7.986 0.593 304 HB THR 42 HB THR 42 -5.245 8.287 3.463 305 HG1 THR 42 1HG THR 42 -6.360 9.942 2.749 306 HG21 THR 42 1HG2 THR 42 -3.292 10.120 2.162 307 HG22 THR 42 2HG2 THR 42 -2.716 8.553 2.730 308 HG23 THR 42 3HG2 THR 42 -3.468 9.679 3.860 309 H TRP 43 H TRP 43 -2.492 6.905 0.508 310 HA TRP 43 HA TRP 43 -2.102 4.523 2.087 311 HB2 TRP 43 1HB TRP 43 -0.443 5.888 -0.033 312 HB3 TRP 43 2HB TRP 43 0.102 4.447 0.820 313 HD1 TRP 43 HD TRP 43 -2.547 5.600 -1.708 314 HE1 TRP 43 1HE TRP 43 -3.449 3.530 -2.944 315 HE3 TRP 43 3HE TRP 43 -0.215 1.952 1.010 316 HZ2 TRP 43 2HZ TRP 43 -3.204 0.722 -2.788 317 HZ3 TRP 43 3HZ TRP 43 -0.602 -0.401 0.402 318 HH2 TRP 43 HH TRP 43 -2.067 -1.001 -1.457 319 H TYR 44 H TYR 44 -0.703 4.221 3.755 320 HA TYR 44 HA TYR 44 0.899 6.533 4.620 321 HB2 TYR 44 1HB TYR 44 -0.947 4.814 6.270 322 HB3 TYR 44 2HB TYR 44 0.351 5.752 7.000 323 HD1 TYR 44 2HD TYR 44 0.309 8.235 6.854 324 HD2 TYR 44 1HD TYR 44 -2.961 5.853 5.537 325 HE1 TYR 44 2HE TYR 44 -1.148 10.216 6.911 326 HE2 TYR 44 1HE TYR 44 -4.427 7.827 5.589 327 HH TYR 44 HH TYR 44 -3.627 10.672 7.142 328 H LYS 45 H LYS 45 2.932 6.097 5.275 329 HA LYS 45 HA LYS 45 3.722 3.261 5.424 330 HB2 LYS 45 1HB LYS 45 4.584 4.514 3.431 331 HB3 LYS 45 2HB LYS 45 5.455 5.571 4.535 332 HG2 LYS 45 1HG LYS 45 6.452 3.329 5.430 333 HG3 LYS 45 2HG LYS 45 5.956 2.716 3.851 334 HD2 LYS 45 1HD LYS 45 7.371 4.195 2.708 335 HD3 LYS 45 2HD LYS 45 7.571 5.233 4.122 336 HE2 LYS 45 1HE LYS 45 8.789 3.393 5.244 337 HE3 LYS 45 2HE LYS 45 8.657 2.441 3.766 338 HZ1 LYS 45 1HZ LYS 45 9.730 4.672 2.811 339 HZ2 LYS 45 2HZ LYS 45 10.653 3.366 3.361 340 HZ3 LYS 45 3HZ LYS 45 10.385 4.697 4.371 341 H ASP 46 H ASP 46 4.777 2.589 7.197 342 HA ASP 46 HA ASP 46 5.455 2.624 9.381 343 HB2 ASP 46 1HB ASP 46 7.456 3.449 7.973 344 HB3 ASP 46 2HB ASP 46 7.081 5.041 8.627 345 H GLY 47 H GLY 47 3.030 4.007 8.985 346 HA2 GLY 47 1HA GLY 47 1.603 5.339 10.197 347 HA3 GLY 47 2HA GLY 47 2.869 5.461 11.410 348 H GLN 48 H GLN 48 3.094 6.477 8.038 349 HA GLN 48 HA GLN 48 2.856 9.276 8.792 350 HB2 GLN 48 1HB GLN 48 5.360 8.208 7.479 351 HB3 GLN 48 2HB GLN 48 5.018 9.893 7.847 352 HG2 GLN 48 1HG GLN 48 4.853 9.151 10.279 353 HG3 GLN 48 2HG GLN 48 5.604 7.648 9.743 354 HE21 GLN 48 1HE2 GLN 48 7.248 8.366 11.314 355 HE22 GLN 48 2HE2 GLN 48 8.501 9.417 10.759 356 H LYS 49 H LYS 49 1.850 10.395 7.252 357 HA LYS 49 HA LYS 49 0.697 9.295 5.022 358 HB2 LYS 49 1HB LYS 49 0.155 11.522 6.030 359 HB3 LYS 49 2HB LYS 49 1.588 12.175 5.246 360 HG2 LYS 49 1HG LYS 49 0.677 11.856 3.093 361 HG3 LYS 49 2HG LYS 49 -0.627 10.842 3.716 362 HD2 LYS 49 1HD LYS 49 -0.317 13.699 4.582 363 HD3 LYS 49 2HD LYS 49 -1.174 13.276 3.098 364 HE2 LYS 49 1HE LYS 49 -2.896 12.260 4.222 365 HE3 LYS 49 2HE LYS 49 -1.891 11.851 5.611 366 HZ1 LYS 49 1HZ LYS 49 -2.089 13.969 6.483 367 HZ2 LYS 49 2HZ LYS 49 -3.635 13.696 5.854 368 HZ3 LYS 49 3HZ LYS 49 -2.537 14.664 5.007 369 H VAL 50 H VAL 50 1.177 9.153 2.846 370 HA VAL 50 HA VAL 50 4.027 9.213 2.208 371 HB VAL 50 HB VAL 50 3.495 7.882 0.272 372 HG11 VAL 50 1HG1 VAL 50 3.749 6.440 2.045 373 HG12 VAL 50 2HG1 VAL 50 2.328 7.057 2.891 374 HG13 VAL 50 3HG1 VAL 50 2.133 6.006 1.488 375 HG21 VAL 50 1HG2 VAL 50 0.710 7.373 0.660 376 HG22 VAL 50 2HG2 VAL 50 0.964 9.109 0.487 377 HG23 VAL 50 3HG2 VAL 50 1.534 8.006 -0.765 378 H GLU 51 H GLU 51 4.879 10.304 0.427 379 HA GLU 51 HA GLU 51 3.250 12.571 -0.480 380 HB2 GLU 51 1HB GLU 51 6.224 12.133 -0.298 381 HB3 GLU 51 2HB GLU 51 5.538 13.454 -1.233 382 HG2 GLU 51 1HG GLU 51 4.433 14.295 0.789 383 HG3 GLU 51 2HG GLU 51 5.168 12.990 1.718 384 H GLU 52 H GLU 52 2.347 12.379 -2.411 385 HA GLU 52 HA GLU 52 3.040 10.380 -4.284 386 HB2 GLU 52 1HB GLU 52 1.208 12.735 -4.272 387 HB3 GLU 52 2HB GLU 52 1.591 11.985 -5.815 388 HG2 GLU 52 1HG GLU 52 0.555 9.998 -5.262 389 HG3 GLU 52 2HG GLU 52 0.665 10.305 -3.530 390 H SER 53 H SER 53 4.797 10.337 -5.506 391 HA SER 53 HA SER 53 5.560 12.640 -7.068 392 HB2 SER 53 1HB SER 53 6.715 12.772 -4.735 393 HB3 SER 53 2HB SER 53 7.734 11.472 -5.353 394 HG SER 53 HG SER 53 8.798 13.230 -5.996 395 H GLU 54 H GLU 54 7.773 12.008 -8.241 396 HA GLU 54 HA GLU 54 7.199 9.892 -9.945 397 HB2 GLU 54 1HB GLU 54 9.389 10.187 -10.862 398 HB3 GLU 54 2HB GLU 54 8.790 11.774 -10.398 399 HG2 GLU 54 1HG GLU 54 10.084 11.468 -8.238 400 HG3 GLU 54 2HG GLU 54 10.860 10.094 -9.023 401 H LEU 55 H LEU 55 8.927 9.934 -6.913 402 HA LEU 55 HA LEU 55 9.995 7.276 -7.221 403 HB2 LEU 55 1HB LEU 55 9.844 9.150 -4.869 404 HB3 LEU 55 2HB LEU 55 10.602 7.560 -4.806 405 HG LEU 55 HG LEU 55 11.490 9.823 -6.594 406 HD11 LEU 55 1HD1 LEU 55 12.897 8.800 -4.146 407 HD12 LEU 55 2HD1 LEU 55 11.772 10.156 -4.092 408 HD13 LEU 55 3HD1 LEU 55 13.230 10.259 -5.078 409 HD21 LEU 55 1HD2 LEU 55 13.589 8.222 -6.499 410 HD22 LEU 55 2HD2 LEU 55 12.296 7.981 -7.674 411 HD23 LEU 55 3HD2 LEU 55 12.347 7.003 -6.206 412 H LEU 56 H LEU 56 7.025 8.623 -6.260 413 HA LEU 56 HA LEU 56 6.166 6.006 -5.232 414 HB2 LEU 56 1HB LEU 56 6.473 7.661 -3.395 415 HB3 LEU 56 2HB LEU 56 5.243 8.666 -4.158 416 HG LEU 56 HG LEU 56 4.526 5.867 -3.444 417 HD11 LEU 56 1HD1 LEU 56 5.681 6.625 -1.452 418 HD12 LEU 56 2HD1 LEU 56 3.942 6.568 -1.167 419 HD13 LEU 56 3HD1 LEU 56 4.739 8.116 -1.447 420 HD21 LEU 56 1HD2 LEU 56 2.741 8.078 -2.785 421 HD22 LEU 56 2HD2 LEU 56 2.438 6.614 -3.721 422 HD23 LEU 56 3HD2 LEU 56 3.181 8.016 -4.492 423 H VAL 57 H VAL 57 4.894 5.247 -6.800 424 HA VAL 57 HA VAL 57 3.009 7.082 -8.113 425 HB VAL 57 HB VAL 57 3.741 4.295 -9.006 426 HG11 VAL 57 1HG1 VAL 57 2.727 6.456 -10.789 427 HG12 VAL 57 2HG1 VAL 57 2.550 4.705 -10.924 428 HG13 VAL 57 3HG1 VAL 57 1.590 5.602 -9.747 429 HG21 VAL 57 1HG2 VAL 57 5.238 6.777 -9.203 430 HG22 VAL 57 2HG2 VAL 57 5.742 5.123 -9.550 431 HG23 VAL 57 3HG2 VAL 57 4.900 6.064 -10.781 432 H VAL 58 H VAL 58 0.867 6.860 -7.867 433 HA VAL 58 HA VAL 58 -0.124 4.457 -6.476 434 HB VAL 58 HB VAL 58 -1.083 7.297 -6.097 435 HG11 VAL 58 1HG1 VAL 58 -2.016 5.102 -4.349 436 HG12 VAL 58 2HG1 VAL 58 -2.864 6.543 -4.914 437 HG13 VAL 58 3HG1 VAL 58 -2.676 5.152 -5.983 438 HG21 VAL 58 1HG2 VAL 58 0.484 7.426 -4.527 439 HG22 VAL 58 2HG2 VAL 58 -0.339 6.132 -3.657 440 HG23 VAL 58 3HG2 VAL 58 0.954 5.747 -4.794 441 H LYS 59 H LYS 59 -1.516 3.343 -7.658 442 HA LYS 59 HA LYS 59 -2.963 4.715 -9.817 443 HB2 LYS 59 1HB LYS 59 -2.394 1.771 -9.422 444 HB3 LYS 59 2HB LYS 59 -3.273 2.460 -10.780 445 HG2 LYS 59 1HG LYS 59 -0.417 3.118 -10.098 446 HG3 LYS 59 2HG LYS 59 -0.912 1.906 -11.282 447 HD2 LYS 59 1HD LYS 59 -2.127 3.681 -12.518 448 HD3 LYS 59 2HD LYS 59 -1.493 4.866 -11.374 449 HE2 LYS 59 1HE LYS 59 0.812 4.092 -12.019 450 HE3 LYS 59 2HE LYS 59 0.059 3.153 -13.306 451 HZ1 LYS 59 1HZ LYS 59 0.928 5.511 -13.809 452 HZ2 LYS 59 2HZ LYS 59 -0.497 6.035 -13.065 453 HZ3 LYS 59 3HZ LYS 59 -0.573 5.044 -14.434 454 H MET 60 H MET 60 -5.138 4.803 -9.850 455 HA MET 60 HA MET 60 -6.602 3.292 -7.789 456 HB2 MET 60 1HB MET 60 -6.326 5.784 -7.336 457 HB3 MET 60 2HB MET 60 -7.372 6.053 -8.724 458 HG2 MET 60 1HG MET 60 -8.937 4.375 -7.420 459 HG3 MET 60 2HG MET 60 -8.014 4.966 -6.041 460 HE1 MET 60 1HE MET 60 -11.663 6.804 -7.625 461 HE2 MET 60 2HE MET 60 -10.715 5.868 -8.781 462 HE3 MET 60 3HE MET 60 -11.183 5.151 -7.239 463 H ASP 61 H ASP 61 -7.996 1.920 -8.659 464 HA ASP 61 HA ASP 61 -9.416 2.699 -11.110 465 HB2 ASP 61 1HB ASP 61 -7.418 0.977 -11.334 466 HB3 ASP 61 2HB ASP 61 -8.630 -0.161 -10.751 467 H GLY 62 H GLY 62 -11.408 3.011 -10.280 468 HA2 GLY 62 1HA GLY 62 -13.360 2.606 -9.119 469 HA3 GLY 62 2HA GLY 62 -13.181 0.998 -9.803 470 H ARG 63 H ARG 63 -12.573 -0.688 -8.511 471 HA ARG 63 HA ARG 63 -12.311 -0.065 -5.645 472 HB2 ARG 63 1HB ARG 63 -13.556 -2.398 -7.082 473 HB3 ARG 63 2HB ARG 63 -13.100 -2.498 -5.386 474 HG2 ARG 63 1HG ARG 63 -14.565 -0.558 -4.923 475 HG3 ARG 63 2HG ARG 63 -15.082 -0.592 -6.610 476 HD2 ARG 63 1HD ARG 63 -15.273 -3.084 -4.987 477 HD3 ARG 63 2HD ARG 63 -16.468 -1.812 -4.739 478 HE ARG 63 HE ARG 63 -16.201 -2.359 -7.494 479 HH11 ARG 63 2HH1 ARG 63 -17.490 -3.723 -4.561 480 HH12 ARG 63 1HH1 ARG 63 -18.726 -4.628 -5.371 481 HH21 ARG 63 2HH2 ARG 63 -17.824 -3.546 -8.571 482 HH22 ARG 63 1HH2 ARG 63 -18.914 -4.528 -7.652 483 H LYS 64 H LYS 64 -10.073 -0.013 -7.369 484 HA LYS 64 HA LYS 64 -8.525 -2.232 -6.228 485 HB2 LYS 64 1HB LYS 64 -8.437 -1.282 -9.095 486 HB3 LYS 64 2HB LYS 64 -7.219 -2.326 -8.374 487 HG2 LYS 64 1HG LYS 64 -9.320 -3.796 -7.775 488 HG3 LYS 64 2HG LYS 64 -10.026 -2.927 -9.139 489 HD2 LYS 64 1HD LYS 64 -9.108 -4.689 -10.260 490 HD3 LYS 64 2HD LYS 64 -7.723 -3.595 -10.273 491 HE2 LYS 64 1HE LYS 64 -8.028 -5.431 -7.958 492 HE3 LYS 64 2HE LYS 64 -7.519 -6.124 -9.497 493 HZ1 LYS 64 1HZ LYS 64 -5.719 -4.459 -9.550 494 HZ2 LYS 64 2HZ LYS 64 -5.596 -5.516 -8.236 495 HZ3 LYS 64 3HZ LYS 64 -6.170 -3.942 -8.004 496 H HIS 65 H HIS 65 -7.089 -1.335 -4.911 497 HA HIS 65 HA HIS 65 -5.727 1.125 -5.792 498 HB2 HIS 65 1HB HIS 65 -6.574 0.337 -2.999 499 HB3 HIS 65 2HB HIS 65 -5.500 1.686 -3.355 500 HD1 HIS 65 1HD HIS 65 -6.623 3.871 -3.634 501 HD2 HIS 65 2HD HIS 65 -9.208 0.699 -4.354 502 HE1 HIS 65 1HE HIS 65 -8.875 4.917 -4.035 503 HE2 HIS 65 2HE HIS 65 -10.439 2.974 -4.385 504 H ARG 66 H ARG 66 -3.594 0.962 -5.993 505 HA ARG 66 HA ARG 66 -2.122 -0.952 -4.346 506 HB2 ARG 66 1HB ARG 66 -0.821 -1.619 -6.439 507 HB3 ARG 66 2HB ARG 66 -2.439 -2.285 -6.261 508 HG2 ARG 66 1HG ARG 66 -3.327 -0.839 -7.892 509 HG3 ARG 66 2HG ARG 66 -1.890 0.185 -7.874 510 HD2 ARG 66 1HD ARG 66 -1.523 -1.031 -9.784 511 HD3 ARG 66 2HD ARG 66 -0.684 -2.026 -8.595 512 HE ARG 66 HE ARG 66 -3.245 -3.005 -8.678 513 HH11 ARG 66 2HH1 ARG 66 -0.674 -2.526 -10.976 514 HH12 ARG 66 1HH1 ARG 66 -1.142 -3.862 -11.975 515 HH21 ARG 66 2HH2 ARG 66 -3.871 -4.766 -9.986 516 HH22 ARG 66 1HH2 ARG 66 -2.961 -5.135 -11.412 517 H LEU 67 H LEU 67 0.232 -0.600 -4.434 518 HA LEU 67 HA LEU 67 0.892 2.193 -5.101 519 HB2 LEU 67 1HB LEU 67 0.701 1.382 -2.606 520 HB3 LEU 67 2HB LEU 67 2.315 0.746 -2.920 521 HG LEU 67 HG LEU 67 2.593 2.852 -1.874 522 HD11 LEU 67 1HD1 LEU 67 4.083 3.771 -3.315 523 HD12 LEU 67 2HD1 LEU 67 2.957 3.752 -4.672 524 HD13 LEU 67 3HD1 LEU 67 3.777 2.268 -4.186 525 HD21 LEU 67 1HD2 LEU 67 0.536 3.927 -2.039 526 HD22 LEU 67 2HD2 LEU 67 0.483 3.770 -3.795 527 HD23 LEU 67 3HD2 LEU 67 1.595 4.916 -3.045 528 H ILE 68 H ILE 68 2.356 2.330 -6.656 529 HA ILE 68 HA ILE 68 4.168 0.070 -7.115 530 HB ILE 68 HB ILE 68 3.282 2.340 -8.882 531 HG12 ILE 68 1HG1 ILE 68 3.234 -0.625 -9.426 532 HG13 ILE 68 2HG1 ILE 68 1.925 0.188 -8.573 533 HG21 ILE 68 1HG2 ILE 68 5.706 2.024 -9.144 534 HG22 ILE 68 2HG2 ILE 68 5.433 0.317 -9.490 535 HG23 ILE 68 3HG2 ILE 68 4.812 1.550 -10.588 536 HD11 ILE 68 1HD1 ILE 68 2.816 1.227 -11.217 537 HD12 ILE 68 2HD1 ILE 68 1.784 -0.201 -11.137 538 HD13 ILE 68 3HD1 ILE 68 1.235 1.324 -10.442 539 H LEU 69 H LEU 69 6.406 0.432 -7.519 540 HA LEU 69 HA LEU 69 7.487 3.028 -6.721 541 HB2 LEU 69 1HB LEU 69 8.061 0.405 -5.377 542 HB3 LEU 69 2HB LEU 69 9.190 1.756 -5.306 543 HG LEU 69 HG LEU 69 6.342 1.993 -4.371 544 HD11 LEU 69 1HD1 LEU 69 8.756 1.234 -2.732 545 HD12 LEU 69 2HD1 LEU 69 7.403 0.175 -3.130 546 HD13 LEU 69 3HD1 LEU 69 7.144 1.589 -2.109 547 HD21 LEU 69 1HD2 LEU 69 8.294 3.876 -4.817 548 HD22 LEU 69 2HD2 LEU 69 8.439 3.556 -3.088 549 HD23 LEU 69 3HD2 LEU 69 6.893 4.070 -3.763 550 HA PRO 70 HA PRO 70 9.935 1.941 -10.291 551 HB2 PRO 70 1HB PRO 70 11.314 4.278 -10.385 552 HB3 PRO 70 2HB PRO 70 9.651 4.120 -10.961 553 HG2 PRO 70 1HG PRO 70 10.658 5.191 -8.354 554 HG3 PRO 70 2HG PRO 70 9.381 5.828 -9.406 555 HD2 PRO 70 1HD PRO 70 8.848 4.380 -7.181 556 HD3 PRO 70 2HD PRO 70 7.815 4.328 -8.624 557 H GLU 71 H GLU 71 11.287 3.335 -7.324 558 HA GLU 71 HA GLU 71 13.613 1.568 -7.642 559 HB2 GLU 71 1HB GLU 71 13.986 4.091 -8.200 560 HB3 GLU 71 2HB GLU 71 13.936 4.303 -6.455 561 HG2 GLU 71 1HG GLU 71 15.755 2.602 -6.276 562 HG3 GLU 71 2HG GLU 71 15.872 2.631 -8.034 563 H ALA 72 H ALA 72 13.056 0.111 -6.100 564 HA ALA 72 HA ALA 72 12.004 0.904 -3.546 565 HB1 ALA 72 1HB ALA 72 12.883 -1.746 -4.666 566 HB2 ALA 72 2HB ALA 72 12.289 -1.547 -3.017 567 HB3 ALA 72 3HB ALA 72 11.239 -1.173 -4.383 568 H LYS 73 H LYS 73 13.529 2.209 -2.555 569 HA LYS 73 HA LYS 73 16.248 1.275 -2.211 570 HB2 LYS 73 1HB LYS 73 14.905 3.689 -0.985 571 HB3 LYS 73 2HB LYS 73 16.634 3.380 -1.076 572 HG2 LYS 73 1HG LYS 73 16.666 3.702 -3.416 573 HG3 LYS 73 2HG LYS 73 14.904 3.666 -3.516 574 HD2 LYS 73 1HD LYS 73 14.683 5.787 -2.595 575 HD3 LYS 73 2HD LYS 73 16.283 5.739 -1.852 576 HE2 LYS 73 1HE LYS 73 15.993 5.674 -4.830 577 HE3 LYS 73 2HE LYS 73 15.889 7.204 -3.960 578 HZ1 LYS 73 1HZ LYS 73 18.179 5.967 -4.788 579 HZ2 LYS 73 2HZ LYS 73 18.132 5.647 -3.128 580 HZ3 LYS 73 3HZ LYS 73 18.079 7.244 -3.683 581 H VAL 74 H VAL 74 17.241 0.932 -0.154 582 HA VAL 74 HA VAL 74 16.073 -0.858 1.517 583 HB VAL 74 HB VAL 74 18.101 1.242 2.296 584 HG11 VAL 74 1HG1 VAL 74 17.577 -1.380 3.680 585 HG12 VAL 74 2HG1 VAL 74 18.634 -0.067 4.203 586 HG13 VAL 74 3HG1 VAL 74 16.883 0.151 4.213 587 HG21 VAL 74 1HG2 VAL 74 19.748 -0.165 1.553 588 HG22 VAL 74 2HG2 VAL 74 18.766 -1.613 1.772 589 HG23 VAL 74 3HG2 VAL 74 18.473 -0.548 0.396 590 H GLN 75 H GLN 75 15.866 2.654 1.742 591 HA GLN 75 HA GLN 75 14.645 2.835 4.256 592 HB2 GLN 75 1HB GLN 75 14.303 4.653 1.865 593 HB3 GLN 75 2HB GLN 75 13.880 5.055 3.524 594 HG2 GLN 75 1HG GLN 75 15.911 6.056 3.395 595 HG3 GLN 75 2HG GLN 75 16.406 4.459 3.955 596 HE21 GLN 75 1HE2 GLN 75 18.474 5.167 3.028 597 HE22 GLN 75 2HE2 GLN 75 18.758 4.892 1.346 598 H ASP 76 H ASP 76 13.269 2.412 1.029 599 HA ASP 76 HA ASP 76 10.592 2.756 1.523 600 HB2 ASP 76 1HB ASP 76 11.359 2.321 -0.711 601 HB3 ASP 76 2HB ASP 76 11.956 0.729 -0.254 602 H SER 77 H SER 77 12.620 0.016 2.360 603 HA SER 77 HA SER 77 10.783 -1.928 2.957 604 HB2 SER 77 1HB SER 77 12.414 -2.921 4.349 605 HB3 SER 77 2HB SER 77 13.343 -2.001 3.165 606 HG SER 77 HG SER 77 14.029 -0.724 4.698 607 H GLY 78 H GLY 78 8.884 -1.507 3.927 608 HA2 GLY 78 1HA GLY 78 8.845 -0.973 6.733 609 HA3 GLY 78 2HA GLY 78 8.296 0.418 5.809 610 H GLU 79 H GLU 79 6.209 0.267 6.688 611 HA GLU 79 HA GLU 79 4.625 -1.975 5.620 612 HB2 GLU 79 1HB GLU 79 4.804 -2.150 8.053 613 HB3 GLU 79 2HB GLU 79 4.214 -0.504 8.229 614 HG2 GLU 79 1HG GLU 79 2.155 -1.425 6.903 615 HG3 GLU 79 2HG GLU 79 2.737 -2.979 7.496 616 H PHE 80 H PHE 80 2.978 -1.437 4.338 617 HA PHE 80 HA PHE 80 2.245 1.405 4.165 618 HB2 PHE 80 1HB PHE 80 2.259 -0.826 2.152 619 HB3 PHE 80 2HB PHE 80 1.260 0.602 1.899 620 HD1 PHE 80 1HD PHE 80 4.771 -0.291 2.787 621 HD2 PHE 80 2HD PHE 80 2.155 2.349 0.712 622 HE1 PHE 80 1HE PHE 80 6.714 0.897 1.855 623 HE2 PHE 80 2HE PHE 80 4.094 3.540 -0.224 624 HZ PHE 80 HZ PHE 80 6.377 2.814 0.346 625 H GLU 81 H GLU 81 0.107 2.044 4.192 626 HA GLU 81 HA GLU 81 -1.927 -0.018 4.643 627 HB2 GLU 81 1HB GLU 81 -1.286 0.662 6.866 628 HB3 GLU 81 2HB GLU 81 -1.408 2.361 6.431 629 HG2 GLU 81 1HG GLU 81 -3.898 1.655 5.872 630 HG3 GLU 81 2HG GLU 81 -3.539 0.402 7.059 631 H CYS 82 H CYS 82 -3.755 0.349 3.556 632 HA CYS 82 HA CYS 82 -3.996 2.844 2.070 633 HB2 CYS 82 1HB CYS 82 -4.262 0.756 0.832 634 HB3 CYS 82 2HB CYS 82 -5.574 0.269 1.898 635 HG CYS 82 HG CYS 82 -5.710 3.007 -0.149 636 H ARG 83 H ARG 83 -4.500 4.060 4.045 637 HA ARG 83 HA ARG 83 -6.758 3.605 5.631 638 HB2 ARG 83 1HB ARG 83 -4.910 5.203 6.151 639 HB3 ARG 83 2HB ARG 83 -5.556 6.287 4.926 640 HG2 ARG 83 1HG ARG 83 -7.369 5.358 7.090 641 HG3 ARG 83 2HG ARG 83 -6.150 6.578 7.467 642 HD2 ARG 83 1HD ARG 83 -7.032 7.808 5.394 643 HD3 ARG 83 2HD ARG 83 -8.419 6.726 5.510 644 HE ARG 83 HE ARG 83 -7.900 7.983 7.999 645 HH11 ARG 83 2HH1 ARG 83 -9.247 8.559 4.842 646 HH12 ARG 83 1HH1 ARG 83 -10.322 9.805 5.385 647 HH21 ARG 83 2HH2 ARG 83 -9.310 9.621 8.727 648 HH22 ARG 83 1HH2 ARG 83 -10.357 10.409 7.594 649 H THR 84 H THR 84 -8.867 3.821 5.275 650 HA THR 84 HA THR 84 -9.819 5.655 3.207 651 HB THR 84 HB THR 84 -9.574 3.419 2.130 652 HG1 THR 84 1HG THR 84 -12.336 3.867 2.307 653 HG21 THR 84 1HG2 THR 84 -10.016 1.725 3.582 654 HG22 THR 84 2HG2 THR 84 -11.636 1.896 2.907 655 HG23 THR 84 3HG2 THR 84 -11.241 2.645 4.454 656 H GLU 85 H GLU 85 -12.254 5.826 3.263 657 HA GLU 85 HA GLU 85 -13.089 6.432 5.892 658 HB2 GLU 85 1HB GLU 85 -13.883 7.465 3.682 659 HB3 GLU 85 2HB GLU 85 -14.950 6.074 3.552 660 HG2 GLU 85 1HG GLU 85 -14.952 8.208 5.665 661 HG3 GLU 85 2HG GLU 85 -16.210 7.845 4.485 662 H GLY 86 H GLY 86 -12.706 4.365 6.942 663 HA2 GLY 86 1HA GLY 86 -14.804 2.983 7.814 664 HA3 GLY 86 2HA GLY 86 -14.529 2.193 6.268 665 H VAL 87 H VAL 87 -12.263 1.387 5.911 666 HA VAL 87 HA VAL 87 -10.956 0.584 8.414 667 HB VAL 87 HB VAL 87 -10.663 -1.709 7.577 668 HG11 VAL 87 1HG1 VAL 87 -12.426 -1.557 9.080 669 HG12 VAL 87 2HG1 VAL 87 -13.427 -0.623 7.966 670 HG13 VAL 87 3HG1 VAL 87 -13.164 -2.345 7.687 671 HG21 VAL 87 1HG2 VAL 87 -12.721 -1.174 5.470 672 HG22 VAL 87 2HG2 VAL 87 -11.009 -0.915 5.136 673 HG23 VAL 87 3HG2 VAL 87 -11.583 -2.515 5.604 674 H SER 88 H SER 88 -8.900 -0.842 7.633 675 HA SER 88 HA SER 88 -7.627 0.323 5.299 676 HB2 SER 88 1HB SER 88 -6.092 0.558 7.858 677 HB3 SER 88 2HB SER 88 -5.928 1.483 6.365 678 HG SER 88 HG SER 88 -8.076 2.352 6.931 679 H ALA 89 H ALA 89 -5.765 -0.806 4.619 680 HA ALA 89 HA ALA 89 -5.560 -3.501 5.768 681 HB1 ALA 89 1HB ALA 89 -4.405 -4.002 3.554 682 HB2 ALA 89 2HB ALA 89 -6.135 -3.659 3.498 683 HB3 ALA 89 3HB ALA 89 -4.974 -2.416 3.030 684 H PHE 90 H PHE 90 -3.301 -4.504 5.416 685 HA PHE 90 HA PHE 90 -1.189 -2.546 5.987 686 HB2 PHE 90 1HB PHE 90 -1.760 -5.051 7.583 687 HB3 PHE 90 2HB PHE 90 -0.306 -4.074 7.753 688 HD1 PHE 90 1HD PHE 90 -4.006 -3.911 8.008 689 HD2 PHE 90 2HD PHE 90 -0.269 -2.260 9.204 690 HE1 PHE 90 1HE PHE 90 -5.164 -2.483 9.643 691 HE2 PHE 90 2HE PHE 90 -1.421 -0.831 10.842 692 HZ PHE 90 HZ PHE 90 -3.872 -0.942 11.064 693 H PHE 91 H PHE 91 0.623 -2.888 4.870 694 HA PHE 91 HA PHE 91 1.083 -5.561 3.726 695 HB2 PHE 91 1HB PHE 91 1.455 -2.904 2.327 696 HB3 PHE 91 2HB PHE 91 1.943 -4.465 1.674 697 HD1 PHE 91 2HD PHE 91 -0.874 -2.272 2.443 698 HD2 PHE 91 1HD PHE 91 0.305 -6.041 0.856 699 HE1 PHE 91 2HE PHE 91 -3.114 -2.557 1.466 700 HE2 PHE 91 1HE PHE 91 -1.933 -6.332 -0.124 701 HZ PHE 91 HZ PHE 91 -3.646 -4.590 0.181 702 H GLY 92 H GLY 92 2.991 -6.380 4.268 703 HA2 GLY 92 1HA GLY 92 5.011 -4.597 5.417 704 HA3 GLY 92 2HA GLY 92 4.964 -6.346 5.577 705 H VAL 93 H VAL 93 6.652 -3.901 4.236 706 HA VAL 93 HA VAL 93 7.554 -5.562 1.972 707 HB VAL 93 HB VAL 93 7.618 -2.553 2.236 708 HG11 VAL 93 1HG1 VAL 93 9.314 -4.274 0.754 709 HG12 VAL 93 2HG1 VAL 93 8.248 -3.452 -0.387 710 HG13 VAL 93 3HG1 VAL 93 9.243 -2.512 0.726 711 HG21 VAL 93 1HG2 VAL 93 5.521 -4.113 1.493 712 HG22 VAL 93 2HG2 VAL 93 5.782 -2.458 0.942 713 HG23 VAL 93 3HG2 VAL 93 6.297 -3.814 -0.062 714 H THR 94 H THR 94 9.668 -6.079 1.836 715 HA THR 94 HA THR 94 11.530 -4.812 3.731 716 HB THR 94 HB THR 94 11.436 -7.771 3.113 717 HG1 THR 94 1HG THR 94 11.018 -7.621 5.571 718 HG21 THR 94 1HG2 THR 94 13.560 -6.168 3.993 719 HG22 THR 94 2HG2 THR 94 13.468 -7.929 4.020 720 HG23 THR 94 3HG2 THR 94 12.964 -6.999 5.430 721 H VAL 95 H VAL 95 12.942 -3.740 2.508 722 HA VAL 95 HA VAL 95 13.751 -4.834 -0.081 723 HB VAL 95 HB VAL 95 14.536 -2.165 1.081 724 HG11 VAL 95 1HG1 VAL 95 15.847 -3.071 -0.832 725 HG12 VAL 95 2HG1 VAL 95 14.363 -3.075 -1.787 726 HG13 VAL 95 3HG1 VAL 95 15.021 -1.554 -1.185 727 HG21 VAL 95 1HG2 VAL 95 12.315 -1.744 1.010 728 HG22 VAL 95 2HG2 VAL 95 12.640 -1.520 -0.709 729 HG23 VAL 95 3HG2 VAL 95 11.992 -3.054 -0.127 730 H GLN 96 H GLN 96 15.341 -6.294 0.112 731 HA GLN 96 HA GLN 96 17.517 -5.807 2.007 732 HB2 GLN 96 1HB GLN 96 16.680 -8.240 0.436 733 HB3 GLN 96 2HB GLN 96 18.192 -8.165 1.330 734 HG2 GLN 96 1HG GLN 96 17.113 -8.071 3.391 735 HG3 GLN 96 2HG GLN 96 15.575 -7.602 2.667 736 HE21 GLN 96 1HE2 GLN 96 15.168 -9.485 4.297 737 HE22 GLN 96 2HE2 GLN 96 15.063 -11.050 3.572 738 H ASP 97 H ASP 97 19.423 -5.057 1.370 739 HA ASP 97 HA ASP 97 19.915 -4.418 -1.366 740 HB2 ASP 97 1HB ASP 97 22.018 -3.496 -0.586 741 HB3 ASP 97 2HB ASP 97 20.733 -3.037 0.527 742 HA PRO 98 HA PRO 98 21.717 -8.275 -2.582 743 HB2 PRO 98 1HB PRO 98 22.724 -7.436 -4.959 744 HB3 PRO 98 2HB PRO 98 21.004 -7.751 -4.703 745 HG2 PRO 98 1HG PRO 98 22.473 -5.143 -4.695 746 HG3 PRO 98 2HG PRO 98 20.908 -5.543 -5.425 747 HD2 PRO 98 1HD PRO 98 21.122 -4.247 -3.057 748 HD3 PRO 98 2HD PRO 98 19.783 -5.355 -3.422 749 H SER 99 H SER 99 23.485 -8.903 -1.494 750 HA SER 99 HA SER 99 25.754 -7.306 -1.017 751 HB2 SER 99 1HB SER 99 25.438 -10.315 -0.892 752 HB3 SER 99 2HB SER 99 26.812 -9.420 -0.243 753 HG SER 99 HG SER 99 25.492 -8.483 1.257 754 H GLY 100 H GLY 100 27.102 -6.596 -2.533 755 HA2 GLY 100 1HA GLY 100 28.708 -8.300 -4.074 756 HA3 GLY 100 2HA GLY 100 27.396 -7.728 -5.094 757 HA PRO 101 HA PRO 101 30.930 -4.677 -5.205 758 HB2 PRO 101 1HB PRO 101 31.157 -4.638 -7.910 759 HB3 PRO 101 2HB PRO 101 32.018 -5.797 -6.891 760 HG2 PRO 101 1HG PRO 101 29.493 -6.161 -8.457 761 HG3 PRO 101 2HG PRO 101 30.875 -7.259 -8.292 762 HD2 PRO 101 1HD PRO 101 28.581 -7.583 -6.890 763 HD3 PRO 101 2HD PRO 101 30.169 -8.041 -6.241 764 H SER 102 H SER 102 29.919 -2.811 -4.710 765 HA SER 102 HA SER 102 27.852 -1.801 -6.539 766 HB2 SER 102 1HB SER 102 27.013 -1.890 -4.313 767 HB3 SER 102 2HB SER 102 28.483 -1.172 -3.654 768 HG SER 102 HG SER 102 27.470 0.649 -3.861 769 H SER 103 H SER 103 27.915 0.361 -7.265 770 HA SER 103 HA SER 103 30.597 1.582 -7.166 771 HB2 SER 103 1HB SER 103 29.756 0.600 -9.401 772 HB3 SER 103 2HB SER 103 28.660 1.981 -9.438 773 HG SER 103 HG SER 103 31.460 2.240 -9.095 774 H GLY 104 H GLY 104 27.196 2.431 -7.854 775 HA2 GLY 104 1HA GLY 104 26.974 4.370 -5.849 776 HA3 GLY 104 2HA GLY 104 27.499 5.183 -7.315 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -31.485 12.568 6.820 2 HA2 GLY 1 1HA GLY 1 -30.022 12.303 4.268 3 HA3 GLY 1 2HA GLY 1 -29.202 12.132 5.812 4 H SER 2 H SER 2 -28.814 10.070 4.302 5 HA SER 2 HA SER 2 -30.810 8.050 5.090 6 HB2 SER 2 1HB SER 2 -30.583 8.272 2.656 7 HB3 SER 2 2HB SER 2 -28.848 7.980 2.783 8 HG SER 2 HG SER 2 -29.418 5.970 2.536 9 H SER 3 H SER 3 -30.132 7.089 6.896 10 HA SER 3 HA SER 3 -27.370 6.077 6.960 11 HB2 SER 3 1HB SER 3 -27.526 8.018 8.458 12 HB3 SER 3 2HB SER 3 -28.886 7.270 9.296 13 HG SER 3 HG SER 3 -27.356 5.487 9.713 14 H GLY 4 H GLY 4 -27.060 4.185 8.314 15 HA2 GLY 4 1HA GLY 4 -29.157 2.772 9.541 16 HA3 GLY 4 2HA GLY 4 -29.006 2.207 7.883 17 H SER 5 H SER 5 -28.134 0.232 8.093 18 HA SER 5 HA SER 5 -26.596 -0.902 9.952 19 HB2 SER 5 1HB SER 5 -25.486 -2.242 8.150 20 HB3 SER 5 2HB SER 5 -27.238 -2.139 7.979 21 HG SER 5 HG SER 5 -26.632 -0.216 6.574 22 H SER 6 H SER 6 -24.453 -1.036 10.569 23 HA SER 6 HA SER 6 -22.847 1.305 9.914 24 HB2 SER 6 1HB SER 6 -23.092 0.784 12.271 25 HB3 SER 6 2HB SER 6 -22.491 -0.853 12.007 26 HG SER 6 HG SER 6 -20.512 0.199 11.252 27 H GLY 7 H GLY 7 -22.219 0.719 7.787 28 HA2 GLY 7 1HA GLY 7 -19.733 -0.591 7.617 29 HA3 GLY 7 2HA GLY 7 -20.986 -1.695 7.071 30 HA PRO 8 HA PRO 8 -20.846 2.119 4.052 31 HB2 PRO 8 1HB PRO 8 -18.500 3.484 4.073 32 HB3 PRO 8 2HB PRO 8 -19.881 3.932 5.081 33 HG2 PRO 8 1HG PRO 8 -17.428 2.378 5.810 34 HG3 PRO 8 2HG PRO 8 -18.254 3.655 6.720 35 HD2 PRO 8 1HD PRO 8 -18.573 1.026 7.283 36 HD3 PRO 8 2HD PRO 8 -19.869 2.217 7.517 37 H VAL 9 H VAL 9 -17.587 0.816 4.715 38 HA VAL 9 HA VAL 9 -17.625 -0.725 2.284 39 HB VAL 9 HB VAL 9 -16.979 1.388 1.315 40 HG11 VAL 9 1HG1 VAL 9 -16.082 2.840 2.784 41 HG12 VAL 9 2HG1 VAL 9 -15.309 1.567 3.730 42 HG13 VAL 9 3HG1 VAL 9 -14.554 2.144 2.244 43 HG21 VAL 9 1HG2 VAL 9 -15.651 0.176 0.011 44 HG22 VAL 9 2HG2 VAL 9 -14.315 0.512 1.112 45 HG23 VAL 9 3HG2 VAL 9 -15.299 -0.934 1.336 46 H HIS 10 H HIS 10 -16.307 -2.460 2.424 47 HA HIS 10 HA HIS 10 -14.285 -2.485 4.563 48 HB2 HIS 10 1HB HIS 10 -14.898 -4.882 4.969 49 HB3 HIS 10 2HB HIS 10 -16.153 -3.732 5.419 50 HD1 HIS 10 1HD HIS 10 -18.416 -4.198 4.517 51 HD2 HIS 10 2HD HIS 10 -15.446 -6.120 2.339 52 HE1 HIS 10 1HE HIS 10 -19.630 -5.635 2.848 53 HE2 HIS 10 2HE HIS 10 -17.813 -6.852 1.598 54 H ILE 11 H ILE 11 -12.344 -3.297 4.017 55 HA ILE 11 HA ILE 11 -11.616 -3.652 1.352 56 HB ILE 11 HB ILE 11 -10.199 -4.699 3.806 57 HG12 ILE 11 1HG1 ILE 11 -9.446 -2.219 2.301 58 HG13 ILE 11 2HG1 ILE 11 -10.746 -2.154 3.485 59 HG21 ILE 11 1HG2 ILE 11 -9.266 -5.827 1.967 60 HG22 ILE 11 2HG2 ILE 11 -9.333 -4.391 0.947 61 HG23 ILE 11 3HG2 ILE 11 -8.178 -4.475 2.277 62 HD11 ILE 11 1HD1 ILE 11 -7.871 -2.883 3.959 63 HD12 ILE 11 2HD1 ILE 11 -8.750 -1.479 4.567 64 HD13 ILE 11 3HD1 ILE 11 -9.146 -3.092 5.159 65 H LEU 12 H LEU 12 -11.088 -5.472 0.122 66 HA LEU 12 HA LEU 12 -12.293 -7.989 1.069 67 HB2 LEU 12 1HB LEU 12 -11.937 -7.392 -1.830 68 HB3 LEU 12 2HB LEU 12 -13.113 -8.439 -1.037 69 HG LEU 12 HG LEU 12 -13.182 -5.422 -0.984 70 HD11 LEU 12 1HD1 LEU 12 -15.259 -5.890 -2.434 71 HD12 LEU 12 2HD1 LEU 12 -14.489 -7.441 -2.768 72 HD13 LEU 12 3HD1 LEU 12 -13.668 -5.940 -3.194 73 HD21 LEU 12 1HD2 LEU 12 -15.201 -5.584 0.147 74 HD22 LEU 12 2HD2 LEU 12 -14.224 -6.837 0.911 75 HD23 LEU 12 3HD2 LEU 12 -15.431 -7.276 -0.298 76 H SER 13 H SER 13 -9.606 -6.498 -0.626 77 HA SER 13 HA SER 13 -7.961 -8.818 -0.032 78 HB2 SER 13 1HB SER 13 -8.748 -9.434 -2.219 79 HB3 SER 13 2HB SER 13 -8.424 -7.819 -2.849 80 HG SER 13 HG SER 13 -6.527 -9.742 -1.982 81 HA PRO 14 HA PRO 14 -6.021 -9.432 0.152 82 HB2 PRO 14 1HB PRO 14 -4.470 -9.178 2.366 83 HB3 PRO 14 2HB PRO 14 -3.818 -9.118 0.724 84 HG2 PRO 14 1HG PRO 14 -4.484 -6.866 2.581 85 HG3 PRO 14 2HG PRO 14 -3.069 -7.070 1.533 86 HD2 PRO 14 1HD PRO 14 -5.161 -5.488 0.862 87 HD3 PRO 14 2HD PRO 14 -4.201 -6.364 -0.347 88 H GLN 15 H GLN 15 -6.122 -10.553 2.496 89 HA GLN 15 HA GLN 15 -8.606 -9.551 3.690 90 HB2 GLN 15 1HB GLN 15 -7.310 -12.279 3.761 91 HB3 GLN 15 2HB GLN 15 -8.761 -11.859 4.661 92 HG2 GLN 15 1HG GLN 15 -9.985 -11.483 2.645 93 HG3 GLN 15 2HG GLN 15 -8.527 -11.657 1.670 94 HE21 GLN 15 1HE2 GLN 15 -10.273 -13.193 0.728 95 HE22 GLN 15 2HE2 GLN 15 -10.165 -14.832 1.263 96 H ASP 16 H ASP 16 -5.323 -10.535 4.479 97 HA ASP 16 HA ASP 16 -5.546 -9.107 7.014 98 HB2 ASP 16 1HB ASP 16 -6.034 -11.563 7.408 99 HB3 ASP 16 2HB ASP 16 -4.373 -11.888 6.918 100 H LYS 17 H LYS 17 -3.258 -9.173 8.117 101 HA LYS 17 HA LYS 17 -1.497 -7.717 6.603 102 HB2 LYS 17 1HB LYS 17 -1.236 -7.778 8.976 103 HB3 LYS 17 2HB LYS 17 -0.979 -9.518 8.968 104 HG2 LYS 17 1HG LYS 17 1.161 -8.761 9.237 105 HG3 LYS 17 2HG LYS 17 1.082 -8.908 7.479 106 HD2 LYS 17 1HD LYS 17 0.414 -6.470 7.434 107 HD3 LYS 17 2HD LYS 17 0.845 -6.410 9.144 108 HE2 LYS 17 1HE LYS 17 2.813 -7.525 7.206 109 HE3 LYS 17 2HE LYS 17 2.585 -5.778 7.269 110 HZ1 LYS 17 1HZ LYS 17 3.747 -7.573 9.251 111 HZ2 LYS 17 2HZ LYS 17 2.836 -6.277 9.842 112 HZ3 LYS 17 3HZ LYS 17 4.172 -5.986 8.847 113 H VAL 18 H VAL 18 -0.024 -8.122 5.073 114 HA VAL 18 HA VAL 18 0.528 -10.940 4.417 115 HB VAL 18 HB VAL 18 1.067 -10.143 2.138 116 HG11 VAL 18 1HG1 VAL 18 -1.163 -9.952 1.403 117 HG12 VAL 18 2HG1 VAL 18 -1.237 -10.906 2.886 118 HG13 VAL 18 3HG1 VAL 18 -1.680 -9.199 2.911 119 HG21 VAL 18 1HG2 VAL 18 0.684 -7.919 1.437 120 HG22 VAL 18 2HG2 VAL 18 -0.108 -7.496 2.955 121 HG23 VAL 18 3HG2 VAL 18 1.629 -7.799 2.922 122 H SER 19 H SER 19 2.681 -11.216 3.234 123 HA SER 19 HA SER 19 4.758 -9.477 4.369 124 HB2 SER 19 1HB SER 19 4.807 -11.290 5.885 125 HB3 SER 19 2HB SER 19 4.567 -12.477 4.603 126 HG SER 19 HG SER 19 6.872 -10.848 4.909 127 H LEU 20 H LEU 20 6.331 -8.953 2.976 128 HA LEU 20 HA LEU 20 6.872 -10.639 0.664 129 HB2 LEU 20 1HB LEU 20 6.284 -7.716 0.285 130 HB3 LEU 20 2HB LEU 20 6.533 -8.943 -0.955 131 HG LEU 20 HG LEU 20 4.203 -9.171 0.904 132 HD11 LEU 20 1HD1 LEU 20 2.854 -7.861 -0.672 133 HD12 LEU 20 2HD1 LEU 20 4.320 -7.423 -1.549 134 HD13 LEU 20 3HD1 LEU 20 4.093 -6.882 0.114 135 HD21 LEU 20 1HD2 LEU 20 3.261 -10.040 -1.350 136 HD22 LEU 20 2HD2 LEU 20 4.378 -11.051 -0.434 137 HD23 LEU 20 3HD2 LEU 20 4.957 -10.134 -1.826 138 H THR 21 H THR 21 8.899 -10.273 -0.289 139 HA THR 21 HA THR 21 10.647 -8.361 1.105 140 HB THR 21 HB THR 21 11.524 -11.147 0.337 141 HG1 THR 21 1HG THR 21 10.190 -10.224 2.570 142 HG21 THR 21 1HG2 THR 21 13.088 -9.015 0.703 143 HG22 THR 21 2HG2 THR 21 13.563 -10.634 1.218 144 HG23 THR 21 3HG2 THR 21 12.894 -9.497 2.388 145 H PHE 22 H PHE 22 11.910 -7.172 -0.193 146 HA PHE 22 HA PHE 22 12.338 -8.076 -2.956 147 HB2 PHE 22 1HB PHE 22 11.545 -5.274 -2.133 148 HB3 PHE 22 2HB PHE 22 11.946 -5.788 -3.769 149 HD1 PHE 22 1HD PHE 22 9.451 -5.921 -1.098 150 HD2 PHE 22 2HD PHE 22 10.400 -7.090 -5.079 151 HE1 PHE 22 1HE PHE 22 7.094 -6.517 -1.482 152 HE2 PHE 22 2HE PHE 22 8.046 -7.687 -5.470 153 HZ PHE 22 HZ PHE 22 6.389 -7.400 -3.670 154 H THR 23 H THR 23 14.056 -6.697 -4.054 155 HA THR 23 HA THR 23 16.228 -6.208 -2.125 156 HB THR 23 HB THR 23 16.515 -6.883 -5.057 157 HG1 THR 23 1HG THR 23 16.032 -8.829 -4.363 158 HG21 THR 23 1HG2 THR 23 18.860 -7.512 -4.158 159 HG22 THR 23 2HG2 THR 23 18.439 -6.478 -2.793 160 HG23 THR 23 3HG2 THR 23 18.484 -5.810 -4.424 161 H THR 24 H THR 24 17.641 -4.444 -2.467 162 HA THR 24 HA THR 24 16.477 -2.019 -3.071 163 HB THR 24 HB THR 24 19.423 -2.660 -3.310 164 HG1 THR 24 1HG THR 24 19.176 -1.634 -1.045 165 HG21 THR 24 1HG2 THR 24 17.851 -0.123 -3.177 166 HG22 THR 24 2HG2 THR 24 19.253 -0.525 -4.169 167 HG23 THR 24 3HG2 THR 24 19.456 -0.184 -2.450 168 H SER 25 H SER 25 16.618 -0.580 -4.823 169 HA SER 25 HA SER 25 16.530 0.026 -7.014 170 HB2 SER 25 1HB SER 25 18.376 -0.468 -8.355 171 HB3 SER 25 2HB SER 25 19.022 -0.690 -6.729 172 HG SER 25 HG SER 25 19.178 -2.780 -7.061 173 H GLU 26 H GLU 26 14.565 -1.705 -6.233 174 HA GLU 26 HA GLU 26 14.175 -3.317 -8.664 175 HB2 GLU 26 1HB GLU 26 13.440 -4.079 -5.833 176 HB3 GLU 26 2HB GLU 26 12.900 -4.948 -7.263 177 HG2 GLU 26 1HG GLU 26 15.808 -4.523 -6.676 178 HG3 GLU 26 2HG GLU 26 14.904 -5.876 -5.999 179 H ARG 27 H ARG 27 11.723 -3.986 -8.755 180 HA ARG 27 HA ARG 27 10.200 -1.497 -8.418 181 HB2 ARG 27 1HB ARG 27 10.479 -2.498 -10.719 182 HB3 ARG 27 2HB ARG 27 9.503 -3.854 -10.171 183 HG2 ARG 27 1HG ARG 27 7.802 -1.966 -9.527 184 HG3 ARG 27 2HG ARG 27 8.705 -1.045 -10.732 185 HD2 ARG 27 1HD ARG 27 8.360 -3.101 -12.244 186 HD3 ARG 27 2HD ARG 27 7.114 -3.562 -11.085 187 HE ARG 27 HE ARG 27 6.401 -1.055 -11.661 188 HH11 ARG 27 2HH1 ARG 27 7.320 -3.709 -13.719 189 HH12 ARG 27 1HH1 ARG 27 6.335 -3.191 -15.046 190 HH21 ARG 27 2HH2 ARG 27 5.099 -0.363 -13.402 191 HH22 ARG 27 1HH2 ARG 27 5.073 -1.288 -14.866 192 H VAL 28 H VAL 28 8.830 -1.425 -6.775 193 HA VAL 28 HA VAL 28 7.615 -3.942 -5.837 194 HB VAL 28 HB VAL 28 8.229 -1.426 -4.281 195 HG11 VAL 28 1HG1 VAL 28 6.748 -2.027 -2.738 196 HG12 VAL 28 2HG1 VAL 28 6.157 -3.264 -3.850 197 HG13 VAL 28 3HG1 VAL 28 7.409 -3.661 -2.673 198 HG21 VAL 28 1HG2 VAL 28 9.407 -4.186 -4.329 199 HG22 VAL 28 2HG2 VAL 28 10.225 -2.632 -4.492 200 HG23 VAL 28 3HG2 VAL 28 9.581 -3.130 -2.928 201 H VAL 29 H VAL 29 5.566 -4.122 -6.442 202 HA VAL 29 HA VAL 29 3.858 -1.724 -6.350 203 HB VAL 29 HB VAL 29 4.031 -2.036 -8.647 204 HG11 VAL 29 1HG1 VAL 29 4.269 -4.918 -7.957 205 HG12 VAL 29 2HG1 VAL 29 3.643 -4.489 -9.550 206 HG13 VAL 29 3HG1 VAL 29 5.240 -3.932 -9.050 207 HG21 VAL 29 1HG2 VAL 29 1.889 -2.804 -9.390 208 HG22 VAL 29 2HG2 VAL 29 1.688 -3.800 -7.948 209 HG23 VAL 29 3HG2 VAL 29 1.677 -2.042 -7.813 210 H LEU 30 H LEU 30 2.374 -1.964 -4.825 211 HA LEU 30 HA LEU 30 1.607 -4.611 -3.914 212 HB2 LEU 30 1HB LEU 30 0.754 -1.887 -2.946 213 HB3 LEU 30 2HB LEU 30 0.390 -3.421 -2.158 214 HG LEU 30 HG LEU 30 3.182 -2.348 -2.538 215 HD11 LEU 30 1HD1 LEU 30 2.882 -0.993 -0.812 216 HD12 LEU 30 2HD1 LEU 30 2.337 -2.345 0.179 217 HD13 LEU 30 3HD1 LEU 30 1.173 -1.427 -0.776 218 HD21 LEU 30 1HD2 LEU 30 2.110 -4.525 -0.747 219 HD22 LEU 30 2HD2 LEU 30 3.794 -4.028 -0.913 220 HD23 LEU 30 3HD2 LEU 30 2.962 -4.791 -2.269 221 H THR 31 H THR 31 -0.930 -4.475 -3.159 222 HA THR 31 HA THR 31 -2.634 -3.418 -5.232 223 HB THR 31 HB THR 31 -2.339 -6.412 -4.929 224 HG1 THR 31 1HG THR 31 -1.459 -6.338 -6.930 225 HG21 THR 31 1HG2 THR 31 -4.009 -6.333 -6.898 226 HG22 THR 31 2HG2 THR 31 -4.383 -4.710 -6.318 227 HG23 THR 31 3HG2 THR 31 -4.628 -6.102 -5.264 228 H CYS 32 H CYS 32 -4.651 -3.055 -4.489 229 HA CYS 32 HA CYS 32 -5.587 -4.493 -2.121 230 HB2 CYS 32 1HB CYS 32 -4.524 -2.483 -1.236 231 HB3 CYS 32 2HB CYS 32 -5.464 -1.478 -2.332 232 HG CYS 32 HG CYS 32 -6.473 -3.070 0.490 233 H GLU 33 H GLU 33 -7.872 -4.381 -1.794 234 HA GLU 33 HA GLU 33 -9.407 -3.323 -4.064 235 HB2 GLU 33 1HB GLU 33 -8.978 -5.787 -4.325 236 HB3 GLU 33 2HB GLU 33 -9.890 -6.043 -2.844 237 HG2 GLU 33 1HG GLU 33 -11.893 -5.268 -3.834 238 HG3 GLU 33 2HG GLU 33 -11.035 -4.648 -5.243 239 H LEU 34 H LEU 34 -11.596 -2.824 -3.612 240 HA LEU 34 HA LEU 34 -12.282 -2.748 -0.750 241 HB2 LEU 34 1HB LEU 34 -12.688 -0.570 -2.793 242 HB3 LEU 34 2HB LEU 34 -13.356 -0.552 -1.162 243 HG LEU 34 HG LEU 34 -10.405 -0.595 -1.785 244 HD11 LEU 34 1HD1 LEU 34 -12.220 1.530 -2.093 245 HD12 LEU 34 2HD1 LEU 34 -10.458 1.594 -2.120 246 HD13 LEU 34 3HD1 LEU 34 -11.326 1.841 -0.605 247 HD21 LEU 34 1HD2 LEU 34 -10.407 -1.292 0.361 248 HD22 LEU 34 2HD2 LEU 34 -12.031 -0.680 0.673 249 HD23 LEU 34 3HD2 LEU 34 -10.654 0.423 0.693 250 H SER 35 H SER 35 -14.709 -2.119 -0.521 251 HA SER 35 HA SER 35 -16.190 -4.064 -2.086 252 HB2 SER 35 1HB SER 35 -16.319 -3.582 0.509 253 HB3 SER 35 2HB SER 35 -17.482 -2.356 0.004 254 HG SER 35 HG SER 35 -18.686 -4.146 0.279 255 H ARG 36 H ARG 36 -15.756 -0.652 -1.929 256 HA ARG 36 HA ARG 36 -18.000 -0.273 -3.801 257 HB2 ARG 36 1HB ARG 36 -16.769 1.761 -1.932 258 HB3 ARG 36 2HB ARG 36 -18.104 2.055 -3.039 259 HG2 ARG 36 1HG ARG 36 -19.241 0.103 -1.731 260 HG3 ARG 36 2HG ARG 36 -18.062 0.522 -0.486 261 HD2 ARG 36 1HD ARG 36 -18.902 2.722 -0.297 262 HD3 ARG 36 2HD ARG 36 -19.844 2.569 -1.780 263 HE ARG 36 HE ARG 36 -20.657 0.664 0.167 264 HH11 ARG 36 2HH1 ARG 36 -20.908 4.024 -0.707 265 HH12 ARG 36 1HH1 ARG 36 -22.437 4.249 0.078 266 HH21 ARG 36 2HH2 ARG 36 -22.669 0.946 1.204 267 HH22 ARG 36 1HH2 ARG 36 -23.436 2.497 1.166 268 H VAL 37 H VAL 37 -17.666 0.946 -5.652 269 HA VAL 37 HA VAL 37 -14.883 1.135 -6.497 270 HB VAL 37 HB VAL 37 -16.966 0.191 -7.855 271 HG11 VAL 37 1HG1 VAL 37 -16.854 2.889 -9.103 272 HG12 VAL 37 2HG1 VAL 37 -18.140 1.681 -9.131 273 HG13 VAL 37 3HG1 VAL 37 -17.881 2.661 -7.687 274 HG21 VAL 37 1HG2 VAL 37 -15.264 1.688 -9.681 275 HG22 VAL 37 2HG2 VAL 37 -14.352 0.850 -8.425 276 HG23 VAL 37 3HG2 VAL 37 -15.444 -0.055 -9.473 277 H ASP 38 H ASP 38 -14.197 3.043 -7.770 278 HA ASP 38 HA ASP 38 -13.638 5.259 -7.723 279 HB2 ASP 38 1HB ASP 38 -15.491 6.784 -8.233 280 HB3 ASP 38 2HB ASP 38 -15.611 5.305 -9.182 281 H PHE 39 H PHE 39 -13.575 4.145 -5.183 282 HA PHE 39 HA PHE 39 -14.783 6.184 -3.451 283 HB2 PHE 39 1HB PHE 39 -15.086 3.659 -3.038 284 HB3 PHE 39 2HB PHE 39 -13.411 3.680 -2.496 285 HD1 PHE 39 2HD PHE 39 -16.775 5.059 -1.842 286 HD2 PHE 39 1HD PHE 39 -12.833 4.459 -0.355 287 HE1 PHE 39 2HE PHE 39 -17.512 5.778 0.392 288 HE2 PHE 39 1HE PHE 39 -13.564 5.176 1.883 289 HZ PHE 39 HZ PHE 39 -15.906 5.838 2.258 290 HA PRO 40 HA PRO 40 -10.870 8.136 -2.898 291 HB2 PRO 40 1HB PRO 40 -11.413 9.467 -0.595 292 HB3 PRO 40 2HB PRO 40 -12.061 9.959 -2.164 293 HG2 PRO 40 1HG PRO 40 -13.374 8.387 0.019 294 HG3 PRO 40 2HG PRO 40 -14.040 9.698 -0.972 295 HD2 PRO 40 1HD PRO 40 -14.564 7.087 -1.466 296 HD3 PRO 40 2HD PRO 40 -14.465 8.302 -2.757 297 H ALA 41 H ALA 41 -8.984 7.921 -1.714 298 HA ALA 41 HA ALA 41 -8.932 6.614 0.843 299 HB1 ALA 41 1HB ALA 41 -9.231 4.660 -0.561 300 HB2 ALA 41 2HB ALA 41 -7.855 5.137 -1.556 301 HB3 ALA 41 3HB ALA 41 -7.607 4.671 0.126 302 H THR 42 H THR 42 -6.490 6.011 1.330 303 HA THR 42 HA THR 42 -4.588 7.770 0.039 304 HB THR 42 HB THR 42 -5.161 8.165 2.980 305 HG1 THR 42 1HG THR 42 -6.128 9.457 0.685 306 HG21 THR 42 1HG2 THR 42 -3.249 9.309 3.042 307 HG22 THR 42 2HG2 THR 42 -3.751 10.296 1.669 308 HG23 THR 42 3HG2 THR 42 -2.914 8.768 1.398 309 H TRP 43 H TRP 43 -2.488 7.135 0.335 310 HA TRP 43 HA TRP 43 -2.122 4.582 1.703 311 HB2 TRP 43 1HB TRP 43 -0.473 6.099 -0.315 312 HB3 TRP 43 2HB TRP 43 0.148 4.683 0.528 313 HD1 TRP 43 HD TRP 43 -2.451 5.703 -2.097 314 HE1 TRP 43 1HE TRP 43 -3.184 3.598 -3.385 315 HE3 TRP 43 3HE TRP 43 -0.063 2.160 0.712 316 HZ2 TRP 43 2HZ TRP 43 -2.801 0.806 -3.230 317 HZ3 TRP 43 3HZ TRP 43 -0.298 -0.205 0.074 318 HH2 TRP 43 HH TRP 43 -1.639 -0.866 -1.856 319 H TYR 44 H TYR 44 -0.624 4.233 3.317 320 HA TYR 44 HA TYR 44 0.877 6.536 4.325 321 HB2 TYR 44 1HB TYR 44 -1.040 4.865 5.959 322 HB3 TYR 44 2HB TYR 44 0.158 5.947 6.662 323 HD1 TYR 44 2HD TYR 44 -0.047 8.393 6.343 324 HD2 TYR 44 1HD TYR 44 -3.062 5.707 5.001 325 HE1 TYR 44 2HE TYR 44 -1.628 10.268 6.160 326 HE2 TYR 44 1HE TYR 44 -4.651 7.575 4.813 327 HH TYR 44 HH TYR 44 -3.697 10.816 4.919 328 H LYS 45 H LYS 45 2.681 6.000 5.617 329 HA LYS 45 HA LYS 45 3.404 3.150 5.672 330 HB2 LYS 45 1HB LYS 45 4.483 4.487 3.768 331 HB3 LYS 45 2HB LYS 45 5.401 5.310 5.022 332 HG2 LYS 45 1HG LYS 45 6.297 3.136 5.757 333 HG3 LYS 45 2HG LYS 45 5.427 2.357 4.433 334 HD2 LYS 45 1HD LYS 45 6.793 3.283 2.816 335 HD3 LYS 45 2HD LYS 45 7.278 4.629 3.850 336 HE2 LYS 45 1HE LYS 45 8.046 1.800 4.490 337 HE3 LYS 45 2HE LYS 45 8.997 2.781 3.376 338 HZ1 LYS 45 1HZ LYS 45 9.133 4.464 5.201 339 HZ2 LYS 45 2HZ LYS 45 9.954 3.018 5.509 340 HZ3 LYS 45 3HZ LYS 45 8.458 3.314 6.242 341 H ASP 46 H ASP 46 4.047 2.483 7.611 342 HA ASP 46 HA ASP 46 4.568 2.518 9.830 343 HB2 ASP 46 1HB ASP 46 6.460 4.605 8.744 344 HB3 ASP 46 2HB ASP 46 6.519 4.037 10.410 345 H GLY 47 H GLY 47 2.285 4.038 9.139 346 HA2 GLY 47 1HA GLY 47 0.808 5.417 10.245 347 HA3 GLY 47 2HA GLY 47 2.012 5.600 11.512 348 H GLN 48 H GLN 48 2.680 6.359 8.167 349 HA GLN 48 HA GLN 48 2.478 9.225 8.772 350 HB2 GLN 48 1HB GLN 48 4.827 7.899 7.407 351 HB3 GLN 48 2HB GLN 48 4.623 9.629 7.650 352 HG2 GLN 48 1HG GLN 48 4.538 7.871 10.037 353 HG3 GLN 48 2HG GLN 48 6.096 8.145 9.261 354 HE21 GLN 48 1HE2 GLN 48 3.248 9.944 10.369 355 HE22 GLN 48 2HE2 GLN 48 4.129 11.292 10.995 356 H LYS 49 H LYS 49 2.305 10.597 6.902 357 HA LYS 49 HA LYS 49 0.777 9.340 4.791 358 HB2 LYS 49 1HB LYS 49 0.054 11.477 5.811 359 HB3 LYS 49 2HB LYS 49 1.508 12.248 5.191 360 HG2 LYS 49 1HG LYS 49 0.691 11.496 2.882 361 HG3 LYS 49 2HG LYS 49 -0.861 11.218 3.675 362 HD2 LYS 49 1HD LYS 49 -0.901 13.549 4.415 363 HD3 LYS 49 2HD LYS 49 0.659 13.827 3.637 364 HE2 LYS 49 1HE LYS 49 -0.286 13.414 1.469 365 HE3 LYS 49 2HE LYS 49 -1.818 12.911 2.182 366 HZ1 LYS 49 1HZ LYS 49 -0.780 15.576 1.717 367 HZ2 LYS 49 2HZ LYS 49 -1.554 15.359 3.205 368 HZ3 LYS 49 3HZ LYS 49 -2.380 15.030 1.766 369 H VAL 50 H VAL 50 1.528 8.774 2.858 370 HA VAL 50 HA VAL 50 4.293 9.129 2.205 371 HB VAL 50 HB VAL 50 3.853 7.839 0.229 372 HG11 VAL 50 1HG1 VAL 50 3.996 6.499 2.184 373 HG12 VAL 50 2HG1 VAL 50 2.332 6.871 2.642 374 HG13 VAL 50 3HG1 VAL 50 2.656 5.864 1.230 375 HG21 VAL 50 1HG2 VAL 50 1.156 8.891 0.575 376 HG22 VAL 50 2HG2 VAL 50 1.972 8.325 -0.882 377 HG23 VAL 50 3HG2 VAL 50 1.189 7.169 0.195 378 H GLU 51 H GLU 51 5.090 10.086 0.224 379 HA GLU 51 HA GLU 51 3.493 12.423 -0.591 380 HB2 GLU 51 1HB GLU 51 6.471 12.043 -0.332 381 HB3 GLU 51 2HB GLU 51 5.773 13.378 -1.239 382 HG2 GLU 51 1HG GLU 51 4.916 14.391 0.649 383 HG3 GLU 51 2HG GLU 51 4.939 12.898 1.585 384 H GLU 52 H GLU 52 2.546 11.990 -2.480 385 HA GLU 52 HA GLU 52 3.415 10.122 -4.372 386 HB2 GLU 52 1HB GLU 52 1.494 12.418 -4.439 387 HB3 GLU 52 2HB GLU 52 1.909 11.596 -5.937 388 HG2 GLU 52 1HG GLU 52 0.993 9.567 -5.211 389 HG3 GLU 52 2HG GLU 52 0.941 10.095 -3.530 390 H SER 53 H SER 53 5.136 10.165 -5.640 391 HA SER 53 HA SER 53 5.855 12.567 -7.081 392 HB2 SER 53 1HB SER 53 8.023 12.867 -6.225 393 HB3 SER 53 2HB SER 53 7.043 12.595 -4.785 394 HG SER 53 HG SER 53 7.962 10.689 -4.494 395 H GLU 54 H GLU 54 8.103 11.992 -8.277 396 HA GLU 54 HA GLU 54 7.504 10.038 -10.153 397 HB2 GLU 54 1HB GLU 54 9.112 11.823 -10.580 398 HB3 GLU 54 2HB GLU 54 10.210 11.146 -9.386 399 HG2 GLU 54 1HG GLU 54 11.155 10.305 -11.262 400 HG3 GLU 54 2HG GLU 54 10.001 9.014 -10.932 401 H LEU 55 H LEU 55 9.402 9.813 -7.194 402 HA LEU 55 HA LEU 55 10.213 7.096 -7.703 403 HB2 LEU 55 1HB LEU 55 10.379 8.766 -5.198 404 HB3 LEU 55 2HB LEU 55 11.138 7.191 -5.427 405 HG LEU 55 HG LEU 55 11.803 9.569 -7.147 406 HD11 LEU 55 1HD1 LEU 55 13.677 8.785 -5.019 407 HD12 LEU 55 2HD1 LEU 55 12.212 9.606 -4.481 408 HD13 LEU 55 3HD1 LEU 55 13.276 10.381 -5.655 409 HD21 LEU 55 1HD2 LEU 55 12.852 6.814 -6.761 410 HD22 LEU 55 2HD2 LEU 55 13.999 8.100 -7.137 411 HD23 LEU 55 3HD2 LEU 55 12.664 7.758 -8.239 412 H LEU 56 H LEU 56 7.397 8.554 -6.616 413 HA LEU 56 HA LEU 56 6.481 6.010 -5.458 414 HB2 LEU 56 1HB LEU 56 6.923 8.059 -3.863 415 HB3 LEU 56 2HB LEU 56 5.351 8.581 -4.465 416 HG LEU 56 HG LEU 56 5.605 5.824 -3.367 417 HD11 LEU 56 1HD1 LEU 56 5.652 6.428 -1.164 418 HD12 LEU 56 2HD1 LEU 56 5.024 8.046 -1.477 419 HD13 LEU 56 3HD1 LEU 56 6.706 7.667 -1.846 420 HD21 LEU 56 1HD2 LEU 56 3.375 5.914 -3.348 421 HD22 LEU 56 2HD2 LEU 56 3.543 7.356 -4.350 422 HD23 LEU 56 3HD2 LEU 56 3.360 7.512 -2.602 423 H VAL 57 H VAL 57 5.187 5.248 -7.020 424 HA VAL 57 HA VAL 57 3.317 7.085 -8.341 425 HB VAL 57 HB VAL 57 4.075 4.257 -9.090 426 HG11 VAL 57 1HG1 VAL 57 1.746 5.413 -9.705 427 HG12 VAL 57 2HG1 VAL 57 2.739 6.076 -11.004 428 HG13 VAL 57 3HG1 VAL 57 2.595 4.329 -10.806 429 HG21 VAL 57 1HG2 VAL 57 4.863 5.968 -11.114 430 HG22 VAL 57 2HG2 VAL 57 5.293 6.836 -9.640 431 HG23 VAL 57 3HG2 VAL 57 5.916 5.210 -9.919 432 H VAL 58 H VAL 58 1.155 6.909 -8.115 433 HA VAL 58 HA VAL 58 0.111 4.630 -6.569 434 HB VAL 58 HB VAL 58 -0.698 7.524 -6.261 435 HG11 VAL 58 1HG1 VAL 58 -1.866 6.088 -4.222 436 HG12 VAL 58 2HG1 VAL 58 -2.683 6.689 -5.666 437 HG13 VAL 58 3HG1 VAL 58 -2.067 5.037 -5.623 438 HG21 VAL 58 1HG2 VAL 58 1.364 6.055 -5.046 439 HG22 VAL 58 2HG2 VAL 58 0.760 7.647 -4.588 440 HG23 VAL 58 3HG2 VAL 58 0.084 6.200 -3.840 441 H LYS 59 H LYS 59 -0.984 3.507 -8.066 442 HA LYS 59 HA LYS 59 -2.668 4.942 -9.987 443 HB2 LYS 59 1HB LYS 59 -1.954 2.006 -9.902 444 HB3 LYS 59 2HB LYS 59 -2.788 2.839 -11.207 445 HG2 LYS 59 1HG LYS 59 -0.109 3.836 -10.409 446 HG3 LYS 59 2HG LYS 59 -0.204 2.319 -11.306 447 HD2 LYS 59 1HD LYS 59 -1.350 3.384 -13.117 448 HD3 LYS 59 2HD LYS 59 -1.529 4.877 -12.193 449 HE2 LYS 59 1HE LYS 59 1.214 3.824 -12.638 450 HE3 LYS 59 2HE LYS 59 0.381 4.564 -14.003 451 HZ1 LYS 59 1HZ LYS 59 0.684 5.892 -11.370 452 HZ2 LYS 59 2HZ LYS 59 0.158 6.587 -12.819 453 HZ3 LYS 59 3HZ LYS 59 1.771 6.108 -12.648 454 H MET 60 H MET 60 -4.843 4.858 -9.947 455 HA MET 60 HA MET 60 -6.099 3.094 -7.948 456 HB2 MET 60 1HB MET 60 -6.299 5.296 -7.093 457 HB3 MET 60 2HB MET 60 -6.724 5.952 -8.668 458 HG2 MET 60 1HG MET 60 -8.481 3.945 -7.318 459 HG3 MET 60 2HG MET 60 -8.565 5.655 -6.902 460 HE1 MET 60 1HE MET 60 -10.548 7.310 -9.161 461 HE2 MET 60 2HE MET 60 -11.450 6.074 -8.283 462 HE3 MET 60 3HE MET 60 -10.076 6.873 -7.519 463 H ASP 61 H ASP 61 -7.786 1.878 -8.597 464 HA ASP 61 HA ASP 61 -8.989 2.431 -11.218 465 HB2 ASP 61 1HB ASP 61 -7.146 0.563 -11.143 466 HB3 ASP 61 2HB ASP 61 -8.432 -0.402 -10.424 467 H GLY 62 H GLY 62 -10.838 3.211 -10.166 468 HA2 GLY 62 1HA GLY 62 -12.883 3.080 -9.124 469 HA3 GLY 62 2HA GLY 62 -12.912 1.435 -9.743 470 H ARG 63 H ARG 63 -12.477 -0.272 -8.385 471 HA ARG 63 HA ARG 63 -12.292 0.426 -5.531 472 HB2 ARG 63 1HB ARG 63 -13.270 -1.900 -5.201 473 HB3 ARG 63 2HB ARG 63 -14.340 -0.691 -5.897 474 HG2 ARG 63 1HG ARG 63 -14.368 -1.695 -7.953 475 HG3 ARG 63 2HG ARG 63 -12.788 -2.447 -7.727 476 HD2 ARG 63 1HD ARG 63 -13.765 -3.998 -6.102 477 HD3 ARG 63 2HD ARG 63 -15.343 -3.246 -6.337 478 HE ARG 63 HE ARG 63 -14.205 -4.198 -8.781 479 HH11 ARG 63 2HH1 ARG 63 -15.977 -5.139 -5.936 480 HH12 ARG 63 1HH1 ARG 63 -16.727 -6.503 -6.695 481 HH21 ARG 63 2HH2 ARG 63 -15.186 -5.992 -9.792 482 HH22 ARG 63 1HH2 ARG 63 -16.276 -6.988 -8.888 483 H LYS 64 H LYS 64 -10.011 0.185 -7.304 484 HA LYS 64 HA LYS 64 -8.568 -1.881 -5.821 485 HB2 LYS 64 1HB LYS 64 -8.489 -1.608 -8.832 486 HB3 LYS 64 2HB LYS 64 -7.426 -2.639 -7.884 487 HG2 LYS 64 1HG LYS 64 -9.651 -3.670 -7.013 488 HG3 LYS 64 2HG LYS 64 -10.333 -2.948 -8.472 489 HD2 LYS 64 1HD LYS 64 -9.743 -4.997 -9.295 490 HD3 LYS 64 2HD LYS 64 -8.245 -4.115 -9.598 491 HE2 LYS 64 1HE LYS 64 -7.319 -4.980 -7.503 492 HE3 LYS 64 2HE LYS 64 -8.817 -5.859 -7.203 493 HZ1 LYS 64 1HZ LYS 64 -6.799 -6.345 -9.309 494 HZ2 LYS 64 2HZ LYS 64 -8.367 -6.969 -9.423 495 HZ3 LYS 64 3HZ LYS 64 -7.371 -7.418 -8.132 496 H HIS 65 H HIS 65 -7.136 -0.675 -4.747 497 HA HIS 65 HA HIS 65 -5.707 1.440 -6.217 498 HB2 HIS 65 1HB HIS 65 -6.126 1.137 -3.235 499 HB3 HIS 65 2HB HIS 65 -5.231 2.439 -4.012 500 HD1 HIS 65 1HD HIS 65 -6.545 4.455 -4.646 501 HD2 HIS 65 2HD HIS 65 -8.972 1.154 -3.957 502 HE1 HIS 65 1HE HIS 65 -8.905 5.317 -4.770 503 HE2 HIS 65 2HE HIS 65 -10.353 3.319 -4.265 504 H ARG 66 H ARG 66 -3.577 1.253 -6.525 505 HA ARG 66 HA ARG 66 -2.030 -0.569 -4.838 506 HB2 ARG 66 1HB ARG 66 -0.897 -1.428 -6.947 507 HB3 ARG 66 2HB ARG 66 -2.529 -2.009 -6.644 508 HG2 ARG 66 1HG ARG 66 -3.434 -0.776 -8.371 509 HG3 ARG 66 2HG ARG 66 -2.100 0.379 -8.382 510 HD2 ARG 66 1HD ARG 66 -0.617 -1.417 -9.230 511 HD3 ARG 66 2HD ARG 66 -2.016 -2.486 -9.317 512 HE ARG 66 HE ARG 66 -2.346 -0.023 -10.763 513 HH11 ARG 66 2HH1 ARG 66 -1.148 -3.288 -10.899 514 HH12 ARG 66 1HH1 ARG 66 -1.265 -3.398 -12.624 515 HH21 ARG 66 2HH2 ARG 66 -2.506 -0.155 -13.034 516 HH22 ARG 66 1HH2 ARG 66 -2.037 -1.615 -13.838 517 H LEU 67 H LEU 67 0.097 0.007 -4.562 518 HA LEU 67 HA LEU 67 0.861 2.604 -5.710 519 HB2 LEU 67 1HB LEU 67 0.662 2.063 -3.135 520 HB3 LEU 67 2HB LEU 67 2.280 1.409 -3.381 521 HG LEU 67 HG LEU 67 1.545 4.229 -4.129 522 HD11 LEU 67 1HD1 LEU 67 2.131 3.058 -1.483 523 HD12 LEU 67 2HD1 LEU 67 1.215 4.503 -1.911 524 HD13 LEU 67 3HD1 LEU 67 2.978 4.550 -1.891 525 HD21 LEU 67 1HD2 LEU 67 3.776 2.659 -4.649 526 HD22 LEU 67 2HD2 LEU 67 4.259 3.680 -3.294 527 HD23 LEU 67 3HD2 LEU 67 3.663 4.414 -4.783 528 H ILE 68 H ILE 68 2.455 2.661 -7.143 529 HA ILE 68 HA ILE 68 4.173 0.296 -7.427 530 HB ILE 68 HB ILE 68 3.310 2.430 -9.347 531 HG12 ILE 68 1HG1 ILE 68 3.546 -0.503 -9.909 532 HG13 ILE 68 2HG1 ILE 68 2.211 0.083 -8.923 533 HG21 ILE 68 1HG2 ILE 68 4.966 1.611 -10.962 534 HG22 ILE 68 2HG2 ILE 68 5.728 2.347 -9.553 535 HG23 ILE 68 3HG2 ILE 68 5.672 0.591 -9.708 536 HD11 ILE 68 1HD1 ILE 68 2.423 1.704 -11.256 537 HD12 ILE 68 2HD1 ILE 68 2.401 0.003 -11.724 538 HD13 ILE 68 3HD1 ILE 68 1.097 0.664 -10.737 539 H LEU 69 H LEU 69 6.417 0.495 -7.622 540 HA LEU 69 HA LEU 69 7.578 3.116 -7.005 541 HB2 LEU 69 1HB LEU 69 8.037 0.549 -5.511 542 HB3 LEU 69 2HB LEU 69 9.176 1.892 -5.454 543 HG LEU 69 HG LEU 69 6.293 2.194 -4.651 544 HD11 LEU 69 1HD1 LEU 69 8.523 1.763 -2.700 545 HD12 LEU 69 2HD1 LEU 69 7.616 0.402 -3.360 546 HD13 LEU 69 3HD1 LEU 69 6.781 1.657 -2.445 547 HD21 LEU 69 1HD2 LEU 69 8.802 3.782 -4.131 548 HD22 LEU 69 2HD2 LEU 69 7.249 4.089 -3.352 549 HD23 LEU 69 3HD2 LEU 69 7.410 4.267 -5.100 550 HA PRO 70 HA PRO 70 10.109 1.760 -10.416 551 HB2 PRO 70 1HB PRO 70 11.611 4.018 -10.550 552 HB3 PRO 70 2HB PRO 70 9.964 3.921 -11.183 553 HG2 PRO 70 1HG PRO 70 10.930 5.048 -8.584 554 HG3 PRO 70 2HG PRO 70 9.727 5.704 -9.709 555 HD2 PRO 70 1HD PRO 70 9.038 4.378 -7.451 556 HD3 PRO 70 2HD PRO 70 8.057 4.319 -8.929 557 H GLU 71 H GLU 71 11.401 3.174 -7.437 558 HA GLU 71 HA GLU 71 13.665 1.309 -7.622 559 HB2 GLU 71 1HB GLU 71 14.100 3.865 -8.153 560 HB3 GLU 71 2HB GLU 71 14.097 3.999 -6.400 561 HG2 GLU 71 1HG GLU 71 15.886 2.361 -6.252 562 HG3 GLU 71 2HG GLU 71 15.873 2.175 -8.005 563 H ALA 72 H ALA 72 13.520 -0.045 -5.970 564 HA ALA 72 HA ALA 72 12.083 0.671 -3.565 565 HB1 ALA 72 1HB ALA 72 12.457 -1.685 -4.916 566 HB2 ALA 72 2HB ALA 72 13.522 -1.867 -3.522 567 HB3 ALA 72 3HB ALA 72 11.808 -1.529 -3.283 568 H LYS 73 H LYS 73 13.276 2.179 -2.456 569 HA LYS 73 HA LYS 73 16.078 1.688 -1.882 570 HB2 LYS 73 1HB LYS 73 14.242 3.920 -0.993 571 HB3 LYS 73 2HB LYS 73 15.976 3.858 -0.706 572 HG2 LYS 73 1HG LYS 73 16.463 4.104 -3.002 573 HG3 LYS 73 2HG LYS 73 14.786 3.802 -3.464 574 HD2 LYS 73 1HD LYS 73 14.143 5.887 -2.273 575 HD3 LYS 73 2HD LYS 73 15.855 6.201 -1.977 576 HE2 LYS 73 1HE LYS 73 14.653 5.841 -4.718 577 HE3 LYS 73 2HE LYS 73 14.893 7.408 -3.947 578 HZ1 LYS 73 1HZ LYS 73 17.318 6.551 -3.705 579 HZ2 LYS 73 2HZ LYS 73 16.797 7.200 -5.178 580 HZ3 LYS 73 3HZ LYS 73 16.895 5.523 -4.980 581 H VAL 74 H VAL 74 16.946 1.378 0.183 582 HA VAL 74 HA VAL 74 15.827 -0.437 1.852 583 HB VAL 74 HB VAL 74 17.651 1.824 2.679 584 HG11 VAL 74 1HG1 VAL 74 16.412 -0.313 4.206 585 HG12 VAL 74 2HG1 VAL 74 18.174 -0.351 4.299 586 HG13 VAL 74 3HG1 VAL 74 17.297 1.108 4.762 587 HG21 VAL 74 1HG2 VAL 74 19.458 0.327 2.274 588 HG22 VAL 74 2HG2 VAL 74 18.358 -1.024 1.994 589 HG23 VAL 74 3HG2 VAL 74 18.434 0.306 0.838 590 H GLN 75 H GLN 75 15.334 3.048 1.941 591 HA GLN 75 HA GLN 75 13.952 3.161 4.396 592 HB2 GLN 75 1HB GLN 75 13.931 4.963 1.978 593 HB3 GLN 75 2HB GLN 75 13.026 5.327 3.442 594 HG2 GLN 75 1HG GLN 75 15.979 4.811 3.489 595 HG3 GLN 75 2HG GLN 75 15.310 6.409 3.164 596 HE21 GLN 75 1HE2 GLN 75 16.017 4.046 5.535 597 HE22 GLN 75 2HE2 GLN 75 15.479 4.939 6.913 598 H ASP 76 H ASP 76 12.861 2.683 1.071 599 HA ASP 76 HA ASP 76 10.138 2.911 1.353 600 HB2 ASP 76 1HB ASP 76 11.186 2.514 -0.806 601 HB3 ASP 76 2HB ASP 76 11.669 0.896 -0.304 602 H SER 77 H SER 77 12.227 0.327 2.431 603 HA SER 77 HA SER 77 10.386 -1.705 2.858 604 HB2 SER 77 1HB SER 77 11.991 -2.710 4.251 605 HB3 SER 77 2HB SER 77 12.953 -1.711 3.163 606 HG SER 77 HG SER 77 13.569 -0.553 4.803 607 H GLY 78 H GLY 78 8.677 -1.906 4.144 608 HA2 GLY 78 1HA GLY 78 8.393 -1.372 6.784 609 HA3 GLY 78 2HA GLY 78 8.045 0.181 6.038 610 H GLU 79 H GLU 79 6.046 -0.724 7.443 611 HA GLU 79 HA GLU 79 4.303 -2.458 5.940 612 HB2 GLU 79 1HB GLU 79 4.284 -2.460 8.400 613 HB3 GLU 79 2HB GLU 79 3.752 -0.785 8.397 614 HG2 GLU 79 1HG GLU 79 1.803 -1.778 6.920 615 HG3 GLU 79 2HG GLU 79 2.243 -3.259 7.768 616 H PHE 80 H PHE 80 2.746 -1.893 4.546 617 HA PHE 80 HA PHE 80 2.310 0.979 4.091 618 HB2 PHE 80 1HB PHE 80 2.386 -1.398 2.297 619 HB3 PHE 80 2HB PHE 80 1.293 -0.086 1.867 620 HD1 PHE 80 1HD PHE 80 4.832 -0.882 2.604 621 HD2 PHE 80 2HD PHE 80 2.093 1.866 0.853 622 HE1 PHE 80 1HE PHE 80 6.712 0.346 1.598 623 HE2 PHE 80 2HE PHE 80 3.969 3.097 -0.156 624 HZ PHE 80 HZ PHE 80 6.282 2.337 0.215 625 H GLU 81 H GLU 81 0.372 1.842 4.465 626 HA GLU 81 HA GLU 81 -1.897 0.010 4.893 627 HB2 GLU 81 1HB GLU 81 -1.268 1.045 6.979 628 HB3 GLU 81 2HB GLU 81 -1.257 2.639 6.237 629 HG2 GLU 81 1HG GLU 81 -3.666 2.499 5.885 630 HG3 GLU 81 2HG GLU 81 -3.682 0.896 6.618 631 H CYS 82 H CYS 82 -3.778 0.398 3.849 632 HA CYS 82 HA CYS 82 -3.851 2.746 2.071 633 HB2 CYS 82 1HB CYS 82 -3.692 0.471 0.977 634 HB3 CYS 82 2HB CYS 82 -5.290 0.128 1.629 635 HG CYS 82 HG CYS 82 -5.722 2.924 0.173 636 H ARG 83 H ARG 83 -4.805 3.923 3.872 637 HA ARG 83 HA ARG 83 -7.267 3.174 5.041 638 HB2 ARG 83 1HB ARG 83 -5.657 5.680 4.893 639 HB3 ARG 83 2HB ARG 83 -7.333 5.801 5.410 640 HG2 ARG 83 1HG ARG 83 -6.872 4.147 7.182 641 HG3 ARG 83 2HG ARG 83 -5.177 4.136 6.691 642 HD2 ARG 83 1HD ARG 83 -5.201 5.639 8.460 643 HD3 ARG 83 2HD ARG 83 -5.290 6.687 7.044 644 HE ARG 83 HE ARG 83 -7.303 7.416 7.810 645 HH11 ARG 83 2HH1 ARG 83 -6.697 4.262 9.155 646 HH12 ARG 83 1HH1 ARG 83 -8.132 4.256 10.125 647 HH21 ARG 83 2HH2 ARG 83 -9.196 7.420 9.083 648 HH22 ARG 83 1HH2 ARG 83 -9.554 6.053 10.083 649 H THR 84 H THR 84 -9.292 3.322 4.323 650 HA THR 84 HA THR 84 -9.779 4.868 1.861 651 HB THR 84 HB THR 84 -10.325 2.824 1.057 652 HG1 THR 84 1HG THR 84 -12.687 2.858 2.574 653 HG21 THR 84 1HG2 THR 84 -10.633 2.065 3.932 654 HG22 THR 84 2HG2 THR 84 -9.590 1.367 2.693 655 HG23 THR 84 3HG2 THR 84 -11.321 1.030 2.682 656 H GLU 85 H GLU 85 -11.923 3.374 4.274 657 HA GLU 85 HA GLU 85 -13.166 6.018 4.667 658 HB2 GLU 85 1HB GLU 85 -14.664 4.550 3.437 659 HB3 GLU 85 2HB GLU 85 -14.479 3.296 4.655 660 HG2 GLU 85 1HG GLU 85 -16.546 4.281 5.104 661 HG3 GLU 85 2HG GLU 85 -15.448 4.960 6.305 662 H GLY 86 H GLY 86 -13.176 2.818 6.258 663 HA2 GLY 86 1HA GLY 86 -12.526 4.200 8.785 664 HA3 GLY 86 2HA GLY 86 -13.796 2.987 8.711 665 H VAL 87 H VAL 87 -12.068 1.478 6.711 666 HA VAL 87 HA VAL 87 -10.285 0.249 8.710 667 HB VAL 87 HB VAL 87 -10.526 -1.856 7.485 668 HG11 VAL 87 1HG1 VAL 87 -13.303 -1.634 7.744 669 HG12 VAL 87 2HG1 VAL 87 -12.154 -2.197 8.959 670 HG13 VAL 87 3HG1 VAL 87 -12.623 -0.497 8.908 671 HG21 VAL 87 1HG2 VAL 87 -12.441 -0.304 5.746 672 HG22 VAL 87 2HG2 VAL 87 -10.899 -1.004 5.252 673 HG23 VAL 87 3HG2 VAL 87 -12.237 -2.056 5.714 674 H SER 88 H SER 88 -8.488 -1.078 7.584 675 HA SER 88 HA SER 88 -7.505 0.030 5.106 676 HB2 SER 88 1HB SER 88 -5.645 0.330 7.437 677 HB3 SER 88 2HB SER 88 -5.642 1.176 5.890 678 HG SER 88 HG SER 88 -7.480 1.532 8.023 679 H ALA 89 H ALA 89 -5.455 -1.001 4.431 680 HA ALA 89 HA ALA 89 -5.366 -3.770 5.407 681 HB1 ALA 89 1HB ALA 89 -3.831 -3.453 3.040 682 HB2 ALA 89 2HB ALA 89 -5.341 -4.337 3.264 683 HB3 ALA 89 3HB ALA 89 -5.376 -2.634 2.808 684 H PHE 90 H PHE 90 -3.138 -4.817 5.164 685 HA PHE 90 HA PHE 90 -0.991 -2.961 5.912 686 HB2 PHE 90 1HB PHE 90 -1.637 -5.523 7.386 687 HB3 PHE 90 2HB PHE 90 -0.278 -4.455 7.721 688 HD1 PHE 90 2HD PHE 90 -1.362 -1.820 7.737 689 HD2 PHE 90 1HD PHE 90 -3.132 -5.435 9.121 690 HE1 PHE 90 2HE PHE 90 -2.760 -0.533 9.299 691 HE2 PHE 90 1HE PHE 90 -4.533 -4.154 10.685 692 HZ PHE 90 HZ PHE 90 -4.347 -1.700 10.777 693 H PHE 91 H PHE 91 0.592 -3.221 4.496 694 HA PHE 91 HA PHE 91 1.113 -5.925 3.448 695 HB2 PHE 91 1HB PHE 91 1.653 -3.262 2.117 696 HB3 PHE 91 2HB PHE 91 2.017 -4.843 1.433 697 HD1 PHE 91 2HD PHE 91 -0.657 -2.499 2.334 698 HD2 PHE 91 1HD PHE 91 0.300 -6.209 0.480 699 HE1 PHE 91 2HE PHE 91 -2.908 -2.581 1.344 700 HE2 PHE 91 1HE PHE 91 -1.949 -6.297 -0.514 701 HZ PHE 91 HZ PHE 91 -3.557 -4.482 -0.081 702 H GLY 92 H GLY 92 2.867 -6.793 4.329 703 HA2 GLY 92 1HA GLY 92 4.921 -5.130 5.511 704 HA3 GLY 92 2HA GLY 92 4.852 -6.886 5.540 705 H VAL 93 H VAL 93 6.552 -4.319 4.389 706 HA VAL 93 HA VAL 93 7.612 -5.888 2.128 707 HB VAL 93 HB VAL 93 7.424 -2.888 2.406 708 HG11 VAL 93 1HG1 VAL 93 9.550 -3.353 1.431 709 HG12 VAL 93 2HG1 VAL 93 8.855 -4.568 0.355 710 HG13 VAL 93 3HG1 VAL 93 8.466 -2.862 0.130 711 HG21 VAL 93 1HG2 VAL 93 5.384 -3.457 1.569 712 HG22 VAL 93 2HG2 VAL 93 6.294 -3.402 0.059 713 HG23 VAL 93 3HG2 VAL 93 5.975 -4.951 0.840 714 H THR 94 H THR 94 9.835 -5.994 1.868 715 HA THR 94 HA THR 94 11.524 -4.692 3.871 716 HB THR 94 HB THR 94 11.526 -7.675 3.373 717 HG1 THR 94 1HG THR 94 11.224 -7.500 5.798 718 HG21 THR 94 1HG2 THR 94 13.623 -7.764 4.121 719 HG22 THR 94 2HG2 THR 94 13.202 -6.805 5.539 720 HG23 THR 94 3HG2 THR 94 13.683 -6.004 4.044 721 H VAL 95 H VAL 95 12.882 -3.560 2.641 722 HA VAL 95 HA VAL 95 13.841 -4.687 0.117 723 HB VAL 95 HB VAL 95 14.327 -1.916 1.212 724 HG11 VAL 95 1HG1 VAL 95 15.842 -2.878 -0.591 725 HG12 VAL 95 2HG1 VAL 95 14.432 -2.823 -1.651 726 HG13 VAL 95 3HG1 VAL 95 15.064 -1.336 -0.945 727 HG21 VAL 95 1HG2 VAL 95 12.549 -1.521 -0.757 728 HG22 VAL 95 2HG2 VAL 95 11.999 -3.093 -0.177 729 HG23 VAL 95 3HG2 VAL 95 12.088 -1.726 0.933 730 H GLN 96 H GLN 96 15.420 -6.138 0.655 731 HA GLN 96 HA GLN 96 17.570 -5.289 2.441 732 HB2 GLN 96 1HB GLN 96 17.079 -7.971 1.136 733 HB3 GLN 96 2HB GLN 96 18.313 -7.622 2.340 734 HG2 GLN 96 1HG GLN 96 16.676 -7.246 4.024 735 HG3 GLN 96 2HG GLN 96 15.368 -7.299 2.843 736 HE21 GLN 96 1HE2 GLN 96 15.002 -8.872 4.889 737 HE22 GLN 96 2HE2 GLN 96 15.319 -10.528 4.517 738 H ASP 97 H ASP 97 19.389 -4.460 1.676 739 HA ASP 97 HA ASP 97 19.900 -4.132 -1.073 740 HB2 ASP 97 1HB ASP 97 22.026 -3.185 -0.401 741 HB3 ASP 97 2HB ASP 97 20.776 -2.639 0.714 742 HA PRO 98 HA PRO 98 21.667 -8.046 -2.104 743 HB2 PRO 98 1HB PRO 98 22.803 -7.322 -4.461 744 HB3 PRO 98 2HB PRO 98 21.063 -7.565 -4.268 745 HG2 PRO 98 1HG PRO 98 22.629 -5.014 -4.277 746 HG3 PRO 98 2HG PRO 98 21.081 -5.379 -5.061 747 HD2 PRO 98 1HD PRO 98 21.246 -4.017 -2.726 748 HD3 PRO 98 2HD PRO 98 19.882 -5.085 -3.114 749 H SER 99 H SER 99 23.702 -9.073 -2.304 750 HA SER 99 HA SER 99 25.734 -8.193 -0.695 751 HB2 SER 99 1HB SER 99 25.808 -10.061 -3.064 752 HB3 SER 99 2HB SER 99 27.214 -9.785 -2.036 753 HG SER 99 HG SER 99 24.814 -10.408 -0.770 754 H GLY 100 H GLY 100 25.555 -7.858 -4.235 755 HA2 GLY 100 1HA GLY 100 27.581 -5.717 -4.016 756 HA3 GLY 100 2HA GLY 100 27.551 -6.854 -5.355 757 HA PRO 101 HA PRO 101 24.660 -3.030 -5.908 758 HB2 PRO 101 1HB PRO 101 26.372 -1.187 -6.930 759 HB3 PRO 101 2HB PRO 101 26.011 -1.310 -5.204 760 HG2 PRO 101 1HG PRO 101 28.365 -2.361 -6.726 761 HG3 PRO 101 2HG PRO 101 28.324 -1.545 -5.152 762 HD2 PRO 101 1HD PRO 101 28.544 -4.233 -5.394 763 HD3 PRO 101 2HD PRO 101 27.705 -3.463 -4.033 764 H SER 102 H SER 102 23.582 -3.282 -7.752 765 HA SER 102 HA SER 102 25.103 -3.907 -10.198 766 HB2 SER 102 1HB SER 102 23.413 -5.621 -9.118 767 HB3 SER 102 2HB SER 102 22.208 -4.616 -9.923 768 HG SER 102 HG SER 102 22.732 -5.562 -11.712 769 H SER 103 H SER 103 24.874 -2.604 -11.908 770 HA SER 103 HA SER 103 22.624 -0.713 -11.951 771 HB2 SER 103 1HB SER 103 24.831 0.303 -11.119 772 HB3 SER 103 2HB SER 103 25.409 0.101 -12.772 773 HG SER 103 HG SER 103 22.940 1.338 -12.433 774 H GLY 104 H GLY 104 25.336 -2.050 -13.833 775 HA2 GLY 104 1HA GLY 104 23.651 -1.822 -16.246 776 HA3 GLY 104 2HA GLY 104 25.408 -1.839 -16.254 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -32.590 -3.674 -5.852 2 HA2 GLY 1 1HA GLY 1 -30.550 -3.442 -7.755 3 HA3 GLY 1 2HA GLY 1 -31.924 -2.508 -8.330 4 H SER 2 H SER 2 -32.921 -1.124 -6.438 5 HA SER 2 HA SER 2 -30.728 0.541 -5.492 6 HB2 SER 2 1HB SER 2 -32.463 2.204 -5.010 7 HB3 SER 2 2HB SER 2 -32.625 1.602 -6.660 8 HG SER 2 HG SER 2 -34.051 0.249 -4.699 9 H SER 3 H SER 3 -29.861 -0.084 -3.618 10 HA SER 3 HA SER 3 -31.515 -0.151 -1.256 11 HB2 SER 3 1HB SER 3 -31.746 -2.468 -1.966 12 HB3 SER 3 2HB SER 3 -29.997 -2.624 -2.121 13 HG SER 3 HG SER 3 -29.969 -2.061 0.199 14 H GLY 4 H GLY 4 -30.345 0.142 0.656 15 HA2 GLY 4 1HA GLY 4 -27.574 1.021 0.213 16 HA3 GLY 4 2HA GLY 4 -28.613 1.540 1.532 17 H SER 5 H SER 5 -25.968 -0.236 0.852 18 HA SER 5 HA SER 5 -26.400 -2.556 2.453 19 HB2 SER 5 1HB SER 5 -23.844 -1.246 1.497 20 HB3 SER 5 2HB SER 5 -23.922 -2.814 2.301 21 HG SER 5 HG SER 5 -24.044 -3.390 0.239 22 H SER 6 H SER 6 -26.263 -2.804 4.587 23 HA SER 6 HA SER 6 -26.384 -0.909 6.467 24 HB2 SER 6 1HB SER 6 -26.573 -3.252 7.052 25 HB3 SER 6 2HB SER 6 -24.865 -3.517 6.705 26 HG SER 6 HG SER 6 -24.432 -1.989 8.420 27 H GLY 7 H GLY 7 -23.251 -2.453 5.707 28 HA2 GLY 7 1HA GLY 7 -21.816 -0.298 6.988 29 HA3 GLY 7 2HA GLY 7 -21.111 -1.700 6.198 30 HA PRO 8 HA PRO 8 -21.162 2.292 3.502 31 HB2 PRO 8 1HB PRO 8 -18.819 3.452 4.233 32 HB3 PRO 8 2HB PRO 8 -20.365 3.851 4.990 33 HG2 PRO 8 1HG PRO 8 -18.202 2.019 5.953 34 HG3 PRO 8 2HG PRO 8 -19.150 3.208 6.865 35 HD2 PRO 8 1HD PRO 8 -19.700 0.557 6.916 36 HD3 PRO 8 2HD PRO 8 -20.962 1.798 7.064 37 H VAL 9 H VAL 9 -18.176 0.675 4.610 38 HA VAL 9 HA VAL 9 -17.758 -0.574 2.072 39 HB VAL 9 HB VAL 9 -17.002 1.801 1.657 40 HG11 VAL 9 1HG1 VAL 9 -15.709 2.780 3.174 41 HG12 VAL 9 2HG1 VAL 9 -15.521 1.263 4.055 42 HG13 VAL 9 3HG1 VAL 9 -14.417 1.663 2.739 43 HG21 VAL 9 1HG2 VAL 9 -14.532 0.315 1.278 44 HG22 VAL 9 2HG2 VAL 9 -15.959 -0.611 0.813 45 HG23 VAL 9 3HG2 VAL 9 -15.654 0.966 0.083 46 H HIS 10 H HIS 10 -15.974 -2.033 2.076 47 HA HIS 10 HA HIS 10 -14.380 -2.311 4.472 48 HB2 HIS 10 1HB HIS 10 -15.121 -4.672 4.854 49 HB3 HIS 10 2HB HIS 10 -16.351 -3.467 5.224 50 HD1 HIS 10 1HD HIS 10 -18.180 -3.122 3.221 51 HD2 HIS 10 2HD HIS 10 -15.962 -6.635 3.182 52 HE1 HIS 10 1HE HIS 10 -19.454 -4.705 1.739 53 HE2 HIS 10 2HE HIS 10 -18.137 -6.851 1.799 54 H ILE 11 H ILE 11 -12.459 -3.247 4.048 55 HA ILE 11 HA ILE 11 -11.629 -3.657 1.404 56 HB ILE 11 HB ILE 11 -10.355 -4.599 3.974 57 HG12 ILE 11 1HG1 ILE 11 -9.526 -2.278 2.240 58 HG13 ILE 11 2HG1 ILE 11 -10.717 -2.095 3.524 59 HG21 ILE 11 1HG2 ILE 11 -9.412 -4.680 1.133 60 HG22 ILE 11 2HG2 ILE 11 -8.264 -4.566 2.466 61 HG23 ILE 11 3HG2 ILE 11 -9.358 -5.945 2.361 62 HD11 ILE 11 1HD1 ILE 11 -7.818 -2.325 3.671 63 HD12 ILE 11 2HD1 ILE 11 -8.966 -1.627 4.815 64 HD13 ILE 11 3HD1 ILE 11 -8.671 -3.366 4.809 65 H LEU 12 H LEU 12 -11.173 -5.503 0.217 66 HA LEU 12 HA LEU 12 -12.509 -7.948 1.167 67 HB2 LEU 12 1HB LEU 12 -11.844 -7.416 -1.700 68 HB3 LEU 12 2HB LEU 12 -13.080 -8.474 -1.023 69 HG LEU 12 HG LEU 12 -13.168 -5.457 -1.082 70 HD11 LEU 12 1HD1 LEU 12 -13.466 -6.566 -3.278 71 HD12 LEU 12 2HD1 LEU 12 -14.903 -5.710 -2.723 72 HD13 LEU 12 3HD1 LEU 12 -14.822 -7.467 -2.600 73 HD21 LEU 12 1HD2 LEU 12 -15.173 -7.483 -0.095 74 HD22 LEU 12 2HD2 LEU 12 -15.479 -5.756 -0.283 75 HD23 LEU 12 3HD2 LEU 12 -14.283 -6.318 0.886 76 H SER 13 H SER 13 -9.608 -6.662 -0.345 77 HA SER 13 HA SER 13 -8.115 -8.981 0.551 78 HB2 SER 13 1HB SER 13 -9.051 -9.347 -1.866 79 HB3 SER 13 2HB SER 13 -7.771 -8.229 -2.334 80 HG SER 13 HG SER 13 -6.823 -10.184 -2.423 81 HA PRO 14 HA PRO 14 -6.107 -9.716 0.594 82 HB2 PRO 14 1HB PRO 14 -4.499 -9.513 2.772 83 HB3 PRO 14 2HB PRO 14 -3.884 -9.459 1.115 84 HG2 PRO 14 1HG PRO 14 -4.452 -7.203 3.000 85 HG3 PRO 14 2HG PRO 14 -3.067 -7.435 1.918 86 HD2 PRO 14 1HD PRO 14 -5.136 -5.799 1.306 87 HD3 PRO 14 2HD PRO 14 -4.226 -6.690 0.069 88 H GLN 15 H GLN 15 -6.228 -10.882 2.886 89 HA GLN 15 HA GLN 15 -8.634 -9.807 4.168 90 HB2 GLN 15 1HB GLN 15 -7.439 -12.575 4.091 91 HB3 GLN 15 2HB GLN 15 -8.790 -12.146 5.132 92 HG2 GLN 15 1HG GLN 15 -10.178 -11.663 3.258 93 HG3 GLN 15 2HG GLN 15 -8.820 -11.818 2.145 94 HE21 GLN 15 1HE2 GLN 15 -8.146 -13.823 1.506 95 HE22 GLN 15 2HE2 GLN 15 -9.010 -15.275 1.870 96 H ASP 16 H ASP 16 -5.379 -10.945 4.870 97 HA ASP 16 HA ASP 16 -5.538 -9.609 7.473 98 HB2 ASP 16 1HB ASP 16 -4.080 -11.613 8.317 99 HB3 ASP 16 2HB ASP 16 -5.834 -11.768 8.263 100 H LYS 17 H LYS 17 -3.281 -9.469 8.475 101 HA LYS 17 HA LYS 17 -1.616 -7.931 6.970 102 HB2 LYS 17 1HB LYS 17 -1.392 -8.183 9.395 103 HB3 LYS 17 2HB LYS 17 -0.792 -9.822 9.181 104 HG2 LYS 17 1HG LYS 17 1.106 -8.508 9.572 105 HG3 LYS 17 2HG LYS 17 1.097 -8.803 7.832 106 HD2 LYS 17 1HD LYS 17 -0.210 -6.549 7.739 107 HD3 LYS 17 2HD LYS 17 0.493 -6.289 9.336 108 HE2 LYS 17 1HE LYS 17 2.271 -7.162 7.112 109 HE3 LYS 17 2HE LYS 17 1.722 -5.487 7.145 110 HZ1 LYS 17 1HZ LYS 17 2.511 -5.665 9.620 111 HZ2 LYS 17 2HZ LYS 17 3.613 -5.332 8.381 112 HZ3 LYS 17 3HZ LYS 17 3.491 -6.900 9.004 113 H VAL 18 H VAL 18 -0.077 -8.204 5.458 114 HA VAL 18 HA VAL 18 0.565 -10.971 4.671 115 HB VAL 18 HB VAL 18 1.022 -10.068 2.409 116 HG11 VAL 18 1HG1 VAL 18 -1.360 -10.754 3.496 117 HG12 VAL 18 2HG1 VAL 18 -1.733 -9.147 2.869 118 HG13 VAL 18 3HG1 VAL 18 -1.116 -10.396 1.787 119 HG21 VAL 18 1HG2 VAL 18 0.092 -7.790 1.897 120 HG22 VAL 18 2HG2 VAL 18 0.005 -7.511 3.637 121 HG23 VAL 18 3HG2 VAL 18 1.565 -7.796 2.866 122 H SER 19 H SER 19 2.704 -11.082 3.418 123 HA SER 19 HA SER 19 4.717 -9.238 4.464 124 HB2 SER 19 1HB SER 19 6.157 -11.088 5.208 125 HB3 SER 19 2HB SER 19 4.629 -11.083 6.087 126 HG SER 19 HG SER 19 4.916 -12.631 3.756 127 H LEU 20 H LEU 20 6.245 -8.761 3.007 128 HA LEU 20 HA LEU 20 6.744 -10.598 0.786 129 HB2 LEU 20 1HB LEU 20 6.214 -7.663 0.373 130 HB3 LEU 20 2HB LEU 20 6.538 -8.870 -0.869 131 HG LEU 20 HG LEU 20 4.126 -9.130 0.884 132 HD11 LEU 20 1HD1 LEU 20 3.669 -7.818 -1.682 133 HD12 LEU 20 2HD1 LEU 20 4.559 -6.827 -0.526 134 HD13 LEU 20 3HD1 LEU 20 2.979 -7.482 -0.094 135 HD21 LEU 20 1HD2 LEU 20 4.524 -11.026 -0.454 136 HD22 LEU 20 2HD2 LEU 20 4.935 -10.047 -1.863 137 HD23 LEU 20 3HD2 LEU 20 3.267 -10.116 -1.292 138 H THR 21 H THR 21 8.670 -9.895 -0.513 139 HA THR 21 HA THR 21 10.563 -8.241 0.983 140 HB THR 21 HB THR 21 11.197 -11.061 0.092 141 HG1 THR 21 1HG THR 21 10.135 -10.130 2.356 142 HG21 THR 21 1HG2 THR 21 13.193 -10.066 1.788 143 HG22 THR 21 2HG2 THR 21 12.874 -8.779 0.625 144 HG23 THR 21 3HG2 THR 21 13.323 -10.388 0.060 145 H PHE 22 H PHE 22 12.136 -7.266 -0.267 146 HA PHE 22 HA PHE 22 12.298 -7.933 -3.101 147 HB2 PHE 22 1HB PHE 22 11.644 -5.139 -2.141 148 HB3 PHE 22 2HB PHE 22 11.921 -5.624 -3.811 149 HD1 PHE 22 2HD PHE 22 10.310 -7.249 -4.874 150 HD2 PHE 22 1HD PHE 22 9.526 -5.305 -1.170 151 HE1 PHE 22 2HE PHE 22 7.913 -7.739 -5.129 152 HE2 PHE 22 1HE PHE 22 7.127 -5.793 -1.417 153 HZ PHE 22 HZ PHE 22 6.317 -7.011 -3.399 154 H THR 23 H THR 23 14.005 -6.498 -4.185 155 HA THR 23 HA THR 23 16.249 -6.157 -2.305 156 HB THR 23 HB THR 23 16.391 -6.815 -5.253 157 HG1 THR 23 1HG THR 23 17.257 -8.569 -3.245 158 HG21 THR 23 1HG2 THR 23 18.786 -7.279 -4.719 159 HG22 THR 23 2HG2 THR 23 18.519 -6.570 -3.127 160 HG23 THR 23 3HG2 THR 23 18.338 -5.580 -4.575 161 H THR 24 H THR 24 17.723 -4.434 -2.673 162 HA THR 24 HA THR 24 16.610 -1.957 -3.158 163 HB THR 24 HB THR 24 19.516 -2.730 -3.485 164 HG1 THR 24 1HG THR 24 19.406 -1.643 -1.257 165 HG21 THR 24 1HG2 THR 24 19.214 -0.089 -2.530 166 HG22 THR 24 2HG2 THR 24 18.161 -0.249 -3.936 167 HG23 THR 24 3HG2 THR 24 19.881 -0.614 -4.076 168 H SER 25 H SER 25 16.537 -0.546 -4.882 169 HA SER 25 HA SER 25 16.373 0.124 -7.050 170 HB2 SER 25 1HB SER 25 18.731 -1.736 -7.202 171 HB3 SER 25 2HB SER 25 18.087 -0.981 -8.660 172 HG SER 25 HG SER 25 19.809 0.194 -7.553 173 H GLU 26 H GLU 26 14.448 -1.599 -6.307 174 HA GLU 26 HA GLU 26 14.064 -3.228 -8.726 175 HB2 GLU 26 1HB GLU 26 13.486 -3.990 -5.868 176 HB3 GLU 26 2HB GLU 26 12.735 -4.809 -7.230 177 HG2 GLU 26 1HG GLU 26 15.705 -4.554 -7.097 178 HG3 GLU 26 2HG GLU 26 14.877 -5.788 -6.148 179 H ARG 27 H ARG 27 11.597 -3.954 -8.728 180 HA ARG 27 HA ARG 27 10.063 -1.465 -8.442 181 HB2 ARG 27 1HB ARG 27 10.310 -2.557 -10.714 182 HB3 ARG 27 2HB ARG 27 9.325 -3.877 -10.097 183 HG2 ARG 27 1HG ARG 27 7.651 -1.962 -9.503 184 HG3 ARG 27 2HG ARG 27 8.554 -1.072 -10.731 185 HD2 ARG 27 1HD ARG 27 8.035 -2.686 -12.399 186 HD3 ARG 27 2HD ARG 27 7.387 -3.806 -11.201 187 HE ARG 27 HE ARG 27 5.769 -1.703 -10.895 188 HH11 ARG 27 2HH1 ARG 27 6.870 -3.360 -13.752 189 HH12 ARG 27 1HH1 ARG 27 5.436 -3.018 -14.662 190 HH21 ARG 27 2HH2 ARG 27 3.876 -1.246 -12.082 191 HH22 ARG 27 1HH2 ARG 27 3.733 -1.815 -13.711 192 H VAL 28 H VAL 28 8.811 -1.369 -6.705 193 HA VAL 28 HA VAL 28 7.655 -3.860 -5.647 194 HB VAL 28 HB VAL 28 8.129 -1.218 -4.262 195 HG11 VAL 28 1HG1 VAL 28 6.833 -1.864 -2.559 196 HG12 VAL 28 2HG1 VAL 28 6.144 -3.031 -3.690 197 HG13 VAL 28 3HG1 VAL 28 7.447 -3.516 -2.605 198 HG21 VAL 28 1HG2 VAL 28 10.183 -2.048 -3.985 199 HG22 VAL 28 2HG2 VAL 28 9.447 -3.210 -2.882 200 HG23 VAL 28 3HG2 VAL 28 9.706 -3.641 -4.572 201 H VAL 29 H VAL 29 5.624 -4.174 -6.266 202 HA VAL 29 HA VAL 29 3.800 -1.860 -6.309 203 HB VAL 29 HB VAL 29 3.935 -2.313 -8.573 204 HG11 VAL 29 1HG1 VAL 29 5.294 -4.114 -8.895 205 HG12 VAL 29 2HG1 VAL 29 4.452 -5.104 -7.701 206 HG13 VAL 29 3HG1 VAL 29 3.745 -4.855 -9.298 207 HG21 VAL 29 1HG2 VAL 29 1.592 -2.873 -7.326 208 HG22 VAL 29 2HG2 VAL 29 1.793 -2.786 -9.076 209 HG23 VAL 29 3HG2 VAL 29 1.840 -4.349 -8.259 210 H LEU 30 H LEU 30 2.500 -2.085 -4.608 211 HA LEU 30 HA LEU 30 1.832 -4.665 -3.523 212 HB2 LEU 30 1HB LEU 30 0.813 -1.916 -2.820 213 HB3 LEU 30 2HB LEU 30 0.512 -3.385 -1.896 214 HG LEU 30 HG LEU 30 3.218 -2.120 -2.324 215 HD11 LEU 30 1HD1 LEU 30 2.991 -1.699 0.167 216 HD12 LEU 30 2HD1 LEU 30 1.269 -2.017 -0.041 217 HD13 LEU 30 3HD1 LEU 30 2.027 -0.677 -0.900 218 HD21 LEU 30 1HD2 LEU 30 4.038 -4.074 -1.668 219 HD22 LEU 30 2HD2 LEU 30 2.415 -4.732 -1.458 220 HD23 LEU 30 3HD2 LEU 30 3.196 -3.872 -0.131 221 H THR 31 H THR 31 -0.716 -4.613 -2.764 222 HA THR 31 HA THR 31 -2.465 -3.918 -4.960 223 HB THR 31 HB THR 31 -2.212 -6.831 -4.196 224 HG1 THR 31 1HG THR 31 -1.000 -7.101 -5.988 225 HG21 THR 31 1HG2 THR 31 -3.488 -6.056 -6.722 226 HG22 THR 31 2HG2 THR 31 -4.345 -5.514 -5.279 227 HG23 THR 31 3HG2 THR 31 -3.998 -7.228 -5.506 228 H CYS 32 H CYS 32 -4.530 -3.612 -4.298 229 HA CYS 32 HA CYS 32 -5.489 -4.804 -1.835 230 HB2 CYS 32 1HB CYS 32 -4.248 -2.669 -1.222 231 HB3 CYS 32 2HB CYS 32 -5.503 -1.797 -2.093 232 HG CYS 32 HG CYS 32 -6.238 -3.892 0.501 233 H GLU 33 H GLU 33 -7.743 -4.753 -1.622 234 HA GLU 33 HA GLU 33 -9.199 -3.708 -3.960 235 HB2 GLU 33 1HB GLU 33 -8.837 -6.313 -3.651 236 HB3 GLU 33 2HB GLU 33 -10.186 -6.139 -2.538 237 HG2 GLU 33 1HG GLU 33 -11.667 -5.574 -4.201 238 HG3 GLU 33 2HG GLU 33 -10.399 -4.997 -5.281 239 H LEU 34 H LEU 34 -11.428 -3.155 -3.589 240 HA LEU 34 HA LEU 34 -12.169 -2.777 -0.776 241 HB2 LEU 34 1HB LEU 34 -12.046 -0.678 -2.918 242 HB3 LEU 34 2HB LEU 34 -13.085 -0.503 -1.505 243 HG LEU 34 HG LEU 34 -10.093 -0.854 -1.368 244 HD11 LEU 34 1HD1 LEU 34 -9.984 1.248 -2.106 245 HD12 LEU 34 2HD1 LEU 34 -10.668 1.700 -0.545 246 HD13 LEU 34 3HD1 LEU 34 -11.723 1.491 -1.942 247 HD21 LEU 34 1HD2 LEU 34 -10.349 -0.979 0.834 248 HD22 LEU 34 2HD2 LEU 34 -12.086 -1.132 0.569 249 HD23 LEU 34 3HD2 LEU 34 -11.373 0.457 0.853 250 H SER 35 H SER 35 -14.537 -1.658 -0.879 251 HA SER 35 HA SER 35 -16.118 -3.389 -2.665 252 HB2 SER 35 1HB SER 35 -16.303 -3.932 -0.238 253 HB3 SER 35 2HB SER 35 -16.933 -2.309 0.044 254 HG SER 35 HG SER 35 -18.786 -3.211 -0.366 255 H ARG 36 H ARG 36 -15.098 -0.386 -2.570 256 HA ARG 36 HA ARG 36 -17.600 0.682 -3.675 257 HB2 ARG 36 1HB ARG 36 -15.808 2.000 -1.640 258 HB3 ARG 36 2HB ARG 36 -16.920 2.918 -2.647 259 HG2 ARG 36 1HG ARG 36 -18.004 0.614 -1.124 260 HG3 ARG 36 2HG ARG 36 -17.584 2.080 -0.236 261 HD2 ARG 36 1HD ARG 36 -19.779 2.501 -0.776 262 HD3 ARG 36 2HD ARG 36 -18.942 3.263 -2.129 263 HE ARG 36 HE ARG 36 -19.397 0.789 -3.065 264 HH11 ARG 36 2HH1 ARG 36 -21.468 3.110 -1.503 265 HH12 ARG 36 1HH1 ARG 36 -22.900 2.579 -2.321 266 HH21 ARG 36 2HH2 ARG 36 -21.274 0.080 -4.149 267 HH22 ARG 36 1HH2 ARG 36 -22.789 0.854 -3.825 268 H VAL 37 H VAL 37 -17.376 1.978 -5.452 269 HA VAL 37 HA VAL 37 -14.708 2.042 -6.649 270 HB VAL 37 HB VAL 37 -17.432 2.546 -7.850 271 HG11 VAL 37 1HG1 VAL 37 -16.231 2.590 -10.019 272 HG12 VAL 37 2HG1 VAL 37 -15.835 3.955 -8.972 273 HG13 VAL 37 3HG1 VAL 37 -14.705 2.609 -9.135 274 HG21 VAL 37 1HG2 VAL 37 -16.250 0.166 -7.233 275 HG22 VAL 37 2HG2 VAL 37 -17.455 0.398 -8.500 276 HG23 VAL 37 3HG2 VAL 37 -15.739 0.403 -8.904 277 H ASP 38 H ASP 38 -13.871 3.948 -7.623 278 HA ASP 38 HA ASP 38 -13.228 6.133 -7.525 279 HB2 ASP 38 1HB ASP 38 -16.213 6.265 -7.757 280 HB3 ASP 38 2HB ASP 38 -15.291 7.752 -7.553 281 H PHE 39 H PHE 39 -13.482 4.728 -4.998 282 HA PHE 39 HA PHE 39 -14.444 6.751 -3.136 283 HB2 PHE 39 1HB PHE 39 -14.699 4.140 -2.946 284 HB3 PHE 39 2HB PHE 39 -13.078 4.234 -2.265 285 HD1 PHE 39 1HD PHE 39 -12.682 5.328 -0.137 286 HD2 PHE 39 2HD PHE 39 -16.603 5.021 -1.766 287 HE1 PHE 39 1HE PHE 39 -13.635 5.911 2.056 288 HE2 PHE 39 2HE PHE 39 -17.562 5.604 0.424 289 HZ PHE 39 HZ PHE 39 -16.078 6.051 2.338 290 HA PRO 40 HA PRO 40 -10.478 8.575 -2.535 291 HB2 PRO 40 1HB PRO 40 -10.931 9.736 -0.123 292 HB3 PRO 40 2HB PRO 40 -11.610 10.359 -1.632 293 HG2 PRO 40 1HG PRO 40 -12.897 8.650 0.462 294 HG3 PRO 40 2HG PRO 40 -13.562 10.045 -0.407 295 HD2 PRO 40 1HD PRO 40 -14.154 7.491 -1.083 296 HD3 PRO 40 2HD PRO 40 -14.064 8.799 -2.280 297 H ALA 41 H ALA 41 -8.563 8.204 -1.456 298 HA ALA 41 HA ALA 41 -8.445 6.756 1.015 299 HB1 ALA 41 1HB ALA 41 -7.267 4.786 0.142 300 HB2 ALA 41 2HB ALA 41 -8.921 4.891 -0.462 301 HB3 ALA 41 3HB ALA 41 -7.571 5.345 -1.503 302 H THR 42 H THR 42 -6.100 6.174 1.534 303 HA THR 42 HA THR 42 -4.094 7.720 0.132 304 HB THR 42 HB THR 42 -4.816 8.401 2.989 305 HG1 THR 42 1HG THR 42 -5.653 10.209 2.169 306 HG21 THR 42 1HG2 THR 42 -2.597 9.464 1.236 307 HG22 THR 42 2HG2 THR 42 -2.392 8.407 2.632 308 HG23 THR 42 3HG2 THR 42 -3.007 10.045 2.849 309 H TRP 43 H TRP 43 -2.089 6.882 0.381 310 HA TRP 43 HA TRP 43 -1.862 4.449 1.953 311 HB2 TRP 43 1HB TRP 43 -0.031 5.758 -0.063 312 HB3 TRP 43 2HB TRP 43 0.383 4.284 0.808 313 HD1 TRP 43 HD TRP 43 -2.122 5.585 -1.814 314 HE1 TRP 43 1HE TRP 43 -2.999 3.573 -3.158 315 HE3 TRP 43 3HE TRP 43 0.063 1.810 0.853 316 HZ2 TRP 43 2HZ TRP 43 -2.793 0.759 -3.096 317 HZ3 TRP 43 3HZ TRP 43 -0.327 -0.514 0.145 318 HH2 TRP 43 HH TRP 43 -1.727 -1.026 -1.789 319 H TYR 44 H TYR 44 -0.572 4.159 3.706 320 HA TYR 44 HA TYR 44 1.071 6.428 4.596 321 HB2 TYR 44 1HB TYR 44 -0.927 4.883 6.254 322 HB3 TYR 44 2HB TYR 44 0.299 5.941 6.943 323 HD1 TYR 44 2HD TYR 44 0.173 8.373 6.605 324 HD2 TYR 44 1HD TYR 44 -2.878 5.777 5.170 325 HE1 TYR 44 2HE TYR 44 -1.331 10.300 6.333 326 HE2 TYR 44 1HE TYR 44 -4.390 7.697 4.893 327 HH TYR 44 HH TYR 44 -3.338 10.891 4.970 328 H LYS 45 H LYS 45 3.038 5.890 5.327 329 HA LYS 45 HA LYS 45 3.599 3.029 5.764 330 HB2 LYS 45 1HB LYS 45 4.642 4.040 3.718 331 HB3 LYS 45 2HB LYS 45 5.543 5.120 4.774 332 HG2 LYS 45 1HG LYS 45 6.341 2.916 5.900 333 HG3 LYS 45 2HG LYS 45 5.836 2.178 4.378 334 HD2 LYS 45 1HD LYS 45 7.415 3.354 3.141 335 HD3 LYS 45 2HD LYS 45 7.607 4.594 4.383 336 HE2 LYS 45 1HE LYS 45 8.349 1.774 5.012 337 HE3 LYS 45 2HE LYS 45 9.439 2.746 4.024 338 HZ1 LYS 45 1HZ LYS 45 8.411 3.719 6.620 339 HZ2 LYS 45 2HZ LYS 45 9.752 4.268 5.748 340 HZ3 LYS 45 3HZ LYS 45 9.804 2.764 6.520 341 H ASP 46 H ASP 46 4.371 2.464 7.693 342 HA ASP 46 HA ASP 46 4.990 2.637 9.882 343 HB2 ASP 46 1HB ASP 46 6.884 4.568 8.544 344 HB3 ASP 46 2HB ASP 46 7.010 4.145 10.249 345 H GLY 47 H GLY 47 2.694 4.083 9.338 346 HA2 GLY 47 1HA GLY 47 1.330 5.656 10.305 347 HA3 GLY 47 2HA GLY 47 2.542 5.789 11.571 348 H GLN 48 H GLN 48 2.985 6.486 8.138 349 HA GLN 48 HA GLN 48 2.977 9.351 8.662 350 HB2 GLN 48 1HB GLN 48 5.394 7.913 7.552 351 HB3 GLN 48 2HB GLN 48 5.205 9.659 7.651 352 HG2 GLN 48 1HG GLN 48 4.828 9.162 10.194 353 HG3 GLN 48 2HG GLN 48 5.698 7.677 9.813 354 HE21 GLN 48 1HE2 GLN 48 6.736 9.458 11.593 355 HE22 GLN 48 2HE2 GLN 48 8.129 10.223 10.918 356 H LYS 49 H LYS 49 1.977 10.359 7.056 357 HA LYS 49 HA LYS 49 0.876 9.144 4.847 358 HB2 LYS 49 1HB LYS 49 0.407 11.468 5.822 359 HB3 LYS 49 2HB LYS 49 1.743 12.029 4.825 360 HG2 LYS 49 1HG LYS 49 0.544 11.121 2.836 361 HG3 LYS 49 2HG LYS 49 -0.831 10.781 3.891 362 HD2 LYS 49 1HD LYS 49 -1.079 13.115 4.411 363 HD3 LYS 49 2HD LYS 49 0.405 13.511 3.541 364 HE2 LYS 49 1HE LYS 49 -1.954 12.213 2.203 365 HE3 LYS 49 2HE LYS 49 -1.797 13.963 2.345 366 HZ1 LYS 49 1HZ LYS 49 -0.884 13.479 0.284 367 HZ2 LYS 49 2HZ LYS 49 -0.104 12.080 0.828 368 HZ3 LYS 49 3HZ LYS 49 0.480 13.603 1.277 369 H VAL 50 H VAL 50 1.418 8.933 2.688 370 HA VAL 50 HA VAL 50 4.277 8.907 2.140 371 HB VAL 50 HB VAL 50 3.747 7.630 0.163 372 HG11 VAL 50 1HG1 VAL 50 3.884 6.203 1.987 373 HG12 VAL 50 2HG1 VAL 50 2.391 6.812 2.704 374 HG13 VAL 50 3HG1 VAL 50 2.327 5.777 1.277 375 HG21 VAL 50 1HG2 VAL 50 1.555 9.016 -0.159 376 HG22 VAL 50 2HG2 VAL 50 1.652 7.360 -0.759 377 HG23 VAL 50 3HG2 VAL 50 0.823 7.701 0.760 378 H GLU 51 H GLU 51 5.213 9.886 0.294 379 HA GLU 51 HA GLU 51 3.829 12.336 -0.520 380 HB2 GLU 51 1HB GLU 51 5.928 12.926 0.286 381 HB3 GLU 51 2HB GLU 51 6.702 11.502 -0.395 382 HG2 GLU 51 1HG GLU 51 6.927 12.438 -2.466 383 HG3 GLU 51 2HG GLU 51 5.546 13.512 -2.253 384 H GLU 52 H GLU 52 2.858 12.397 -2.425 385 HA GLU 52 HA GLU 52 3.259 10.333 -4.379 386 HB2 GLU 52 1HB GLU 52 1.458 12.696 -4.103 387 HB3 GLU 52 2HB GLU 52 1.683 12.002 -5.703 388 HG2 GLU 52 1HG GLU 52 0.736 9.966 -5.088 389 HG3 GLU 52 2HG GLU 52 0.928 10.292 -3.366 390 H SER 53 H SER 53 4.880 10.325 -5.775 391 HA SER 53 HA SER 53 5.500 12.659 -7.341 392 HB2 SER 53 1HB SER 53 7.742 12.997 -6.672 393 HB3 SER 53 2HB SER 53 6.841 12.869 -5.162 394 HG SER 53 HG SER 53 8.837 11.600 -5.320 395 H GLU 54 H GLU 54 7.646 12.059 -8.679 396 HA GLU 54 HA GLU 54 6.959 9.995 -10.393 397 HB2 GLU 54 1HB GLU 54 9.173 10.231 -11.360 398 HB3 GLU 54 2HB GLU 54 8.524 11.815 -10.963 399 HG2 GLU 54 1HG GLU 54 9.869 11.822 -8.902 400 HG3 GLU 54 2HG GLU 54 10.557 10.269 -9.372 401 H LEU 55 H LEU 55 8.947 9.939 -7.505 402 HA LEU 55 HA LEU 55 9.880 7.251 -7.935 403 HB2 LEU 55 1HB LEU 55 9.968 9.013 -5.491 404 HB3 LEU 55 2HB LEU 55 10.780 7.456 -5.647 405 HG LEU 55 HG LEU 55 11.374 9.858 -7.372 406 HD11 LEU 55 1HD1 LEU 55 13.392 10.114 -6.022 407 HD12 LEU 55 2HD1 LEU 55 12.848 8.820 -4.955 408 HD13 LEU 55 3HD1 LEU 55 11.937 10.327 -5.048 409 HD21 LEU 55 1HD2 LEU 55 13.449 7.877 -7.083 410 HD22 LEU 55 2HD2 LEU 55 12.706 8.522 -8.547 411 HD23 LEU 55 3HD2 LEU 55 11.967 7.155 -7.711 412 H LEU 56 H LEU 56 7.006 8.616 -6.844 413 HA LEU 56 HA LEU 56 6.192 6.044 -5.681 414 HB2 LEU 56 1HB LEU 56 6.629 8.026 -4.038 415 HB3 LEU 56 2HB LEU 56 5.071 8.604 -4.626 416 HG LEU 56 HG LEU 56 5.243 5.812 -3.608 417 HD11 LEU 56 1HD1 LEU 56 4.667 7.883 -1.592 418 HD12 LEU 56 2HD1 LEU 56 6.359 7.701 -2.055 419 HD13 LEU 56 3HD1 LEU 56 5.464 6.318 -1.423 420 HD21 LEU 56 1HD2 LEU 56 3.098 7.765 -2.963 421 HD22 LEU 56 2HD2 LEU 56 2.994 6.035 -3.289 422 HD23 LEU 56 3HD2 LEU 56 3.217 7.172 -4.619 423 H VAL 57 H VAL 57 4.867 5.266 -7.204 424 HA VAL 57 HA VAL 57 2.930 7.074 -8.467 425 HB VAL 57 HB VAL 57 3.525 4.230 -9.272 426 HG11 VAL 57 1HG1 VAL 57 2.530 6.390 -11.077 427 HG12 VAL 57 2HG1 VAL 57 2.308 4.643 -11.186 428 HG13 VAL 57 3HG1 VAL 57 1.407 5.575 -9.989 429 HG21 VAL 57 1HG2 VAL 57 5.096 6.662 -9.671 430 HG22 VAL 57 2HG2 VAL 57 5.557 4.970 -9.858 431 HG23 VAL 57 3HG2 VAL 57 4.717 5.805 -11.165 432 H VAL 58 H VAL 58 0.861 7.026 -7.892 433 HA VAL 58 HA VAL 58 -0.104 4.717 -6.336 434 HB VAL 58 HB VAL 58 -1.095 7.571 -6.282 435 HG11 VAL 58 1HG1 VAL 58 -2.622 5.408 -5.822 436 HG12 VAL 58 2HG1 VAL 58 -1.925 5.635 -4.217 437 HG13 VAL 58 3HG1 VAL 58 -2.830 6.943 -4.979 438 HG21 VAL 58 1HG2 VAL 58 0.899 7.620 -5.100 439 HG22 VAL 58 2HG2 VAL 58 -0.287 7.296 -3.836 440 HG23 VAL 58 3HG2 VAL 58 0.692 5.980 -4.483 441 H LYS 59 H LYS 59 -1.330 3.414 -7.519 442 HA LYS 59 HA LYS 59 -2.978 4.552 -9.665 443 HB2 LYS 59 1HB LYS 59 -2.508 1.616 -9.217 444 HB3 LYS 59 2HB LYS 59 -2.962 2.441 -10.703 445 HG2 LYS 59 1HG LYS 59 -0.284 2.608 -9.336 446 HG3 LYS 59 2HG LYS 59 -0.658 1.679 -10.789 447 HD2 LYS 59 1HD LYS 59 -1.289 4.583 -10.796 448 HD3 LYS 59 2HD LYS 59 0.408 4.108 -10.904 449 HE2 LYS 59 1HE LYS 59 -1.783 3.095 -12.713 450 HE3 LYS 59 2HE LYS 59 -0.681 4.412 -13.113 451 HZ1 LYS 59 1HZ LYS 59 -0.275 1.704 -13.506 452 HZ2 LYS 59 2HZ LYS 59 0.776 2.145 -12.256 453 HZ3 LYS 59 3HZ LYS 59 0.843 2.953 -13.741 454 H MET 60 H MET 60 -5.152 4.493 -9.604 455 HA MET 60 HA MET 60 -6.418 3.007 -7.397 456 HB2 MET 60 1HB MET 60 -6.508 5.339 -6.837 457 HB3 MET 60 2HB MET 60 -7.076 5.760 -8.447 458 HG2 MET 60 1HG MET 60 -9.184 4.694 -8.047 459 HG3 MET 60 2HG MET 60 -8.620 4.068 -6.499 460 HE1 MET 60 1HE MET 60 -10.495 6.213 -8.325 461 HE2 MET 60 2HE MET 60 -11.423 6.766 -6.931 462 HE3 MET 60 3HE MET 60 -10.351 7.884 -7.777 463 H ASP 61 H ASP 61 -7.263 1.286 -8.432 464 HA ASP 61 HA ASP 61 -8.735 1.718 -10.931 465 HB2 ASP 61 1HB ASP 61 -6.974 -0.077 -10.793 466 HB3 ASP 61 2HB ASP 61 -8.009 -0.917 -9.641 467 H GLY 62 H GLY 62 -10.461 2.788 -9.684 468 HA2 GLY 62 1HA GLY 62 -12.562 2.788 -8.761 469 HA3 GLY 62 2HA GLY 62 -12.681 1.130 -9.331 470 H ARG 63 H ARG 63 -12.381 -0.556 -7.914 471 HA ARG 63 HA ARG 63 -12.446 0.190 -5.089 472 HB2 ARG 63 1HB ARG 63 -12.933 -2.533 -6.302 473 HB3 ARG 63 2HB ARG 63 -13.342 -2.001 -4.676 474 HG2 ARG 63 1HG ARG 63 -15.014 -0.495 -5.542 475 HG3 ARG 63 2HG ARG 63 -14.552 -0.891 -7.199 476 HD2 ARG 63 1HD ARG 63 -15.562 -2.938 -7.138 477 HD3 ARG 63 2HD ARG 63 -15.320 -3.126 -5.401 478 HE ARG 63 HE ARG 63 -17.213 -1.079 -6.175 479 HH11 ARG 63 2HH1 ARG 63 -16.722 -4.401 -5.256 480 HH12 ARG 63 1HH1 ARG 63 -18.358 -4.635 -4.734 481 HH21 ARG 63 2HH2 ARG 63 -19.369 -1.374 -5.492 482 HH22 ARG 63 1HH2 ARG 63 -19.863 -2.913 -4.870 483 H LYS 64 H LYS 64 -10.350 -1.164 -7.423 484 HA LYS 64 HA LYS 64 -8.664 -2.467 -5.429 485 HB2 LYS 64 1HB LYS 64 -8.843 -2.488 -8.398 486 HB3 LYS 64 2HB LYS 64 -7.262 -2.779 -7.684 487 HG2 LYS 64 1HG LYS 64 -8.635 -4.489 -6.212 488 HG3 LYS 64 2HG LYS 64 -9.718 -4.441 -7.605 489 HD2 LYS 64 1HD LYS 64 -6.797 -4.787 -8.076 490 HD3 LYS 64 2HD LYS 64 -7.726 -6.163 -7.478 491 HE2 LYS 64 1HE LYS 64 -9.362 -5.505 -9.415 492 HE3 LYS 64 2HE LYS 64 -7.935 -4.709 -10.076 493 HZ1 LYS 64 1HZ LYS 64 -6.946 -6.663 -10.531 494 HZ2 LYS 64 2HZ LYS 64 -8.531 -7.254 -10.531 495 HZ3 LYS 64 3HZ LYS 64 -7.560 -7.440 -9.158 496 H HIS 65 H HIS 65 -7.030 -1.456 -4.479 497 HA HIS 65 HA HIS 65 -5.845 0.880 -5.829 498 HB2 HIS 65 1HB HIS 65 -6.361 0.502 -2.873 499 HB3 HIS 65 2HB HIS 65 -5.450 1.840 -3.566 500 HD1 HIS 65 1HD HIS 65 -6.812 3.880 -3.767 501 HD2 HIS 65 2HD HIS 65 -9.117 0.452 -4.209 502 HE1 HIS 65 1HE HIS 65 -9.166 4.693 -4.116 503 HE2 HIS 65 2HE HIS 65 -10.555 2.600 -4.297 504 H ARG 66 H ARG 66 -3.709 0.818 -6.124 505 HA ARG 66 HA ARG 66 -2.057 -0.871 -4.402 506 HB2 ARG 66 1HB ARG 66 -0.879 -1.770 -6.431 507 HB3 ARG 66 2HB ARG 66 -2.521 -2.359 -6.211 508 HG2 ARG 66 1HG ARG 66 -3.311 -1.269 -8.048 509 HG3 ARG 66 2HG ARG 66 -2.121 0.029 -7.925 510 HD2 ARG 66 1HD ARG 66 -0.391 -1.758 -8.539 511 HD3 ARG 66 2HD ARG 66 -1.771 -2.742 -9.025 512 HE ARG 66 HE ARG 66 -0.733 -0.401 -10.373 513 HH11 ARG 66 2HH1 ARG 66 -3.396 -2.614 -10.002 514 HH12 ARG 66 1HH1 ARG 66 -4.074 -2.263 -11.557 515 HH21 ARG 66 2HH2 ARG 66 -1.617 0.069 -12.423 516 HH22 ARG 66 1HH2 ARG 66 -3.061 -0.737 -12.934 517 H LEU 67 H LEU 67 0.205 -0.360 -4.485 518 HA LEU 67 HA LEU 67 0.745 2.323 -5.578 519 HB2 LEU 67 1HB LEU 67 0.612 1.892 -2.999 520 HB3 LEU 67 2HB LEU 67 2.231 1.235 -3.230 521 HG LEU 67 HG LEU 67 1.420 4.038 -3.991 522 HD11 LEU 67 1HD1 LEU 67 1.973 4.801 -1.944 523 HD12 LEU 67 2HD1 LEU 67 3.215 3.573 -1.701 524 HD13 LEU 67 3HD1 LEU 67 1.517 3.171 -1.446 525 HD21 LEU 67 1HD2 LEU 67 3.333 3.098 -5.221 526 HD22 LEU 67 2HD2 LEU 67 4.135 2.758 -3.687 527 HD23 LEU 67 3HD2 LEU 67 3.805 4.425 -4.160 528 H ILE 68 H ILE 68 2.289 2.408 -7.062 529 HA ILE 68 HA ILE 68 4.096 0.118 -7.351 530 HB ILE 68 HB ILE 68 3.185 2.259 -9.246 531 HG12 ILE 68 1HG1 ILE 68 3.422 -0.674 -9.819 532 HG13 ILE 68 2HG1 ILE 68 2.090 -0.088 -8.829 533 HG21 ILE 68 1HG2 ILE 68 4.828 1.453 -10.881 534 HG22 ILE 68 2HG2 ILE 68 5.601 2.183 -9.475 535 HG23 ILE 68 3HG2 ILE 68 5.548 0.428 -9.640 536 HD11 ILE 68 1HD1 ILE 68 2.720 0.841 -11.620 537 HD12 ILE 68 2HD1 ILE 68 1.469 -0.323 -11.180 538 HD13 ILE 68 3HD1 ILE 68 1.352 1.349 -10.630 539 H LEU 69 H LEU 69 6.341 0.410 -7.657 540 HA LEU 69 HA LEU 69 7.435 3.043 -6.995 541 HB2 LEU 69 1HB LEU 69 7.923 0.489 -5.498 542 HB3 LEU 69 2HB LEU 69 9.096 1.805 -5.486 543 HG LEU 69 HG LEU 69 6.247 2.234 -4.637 544 HD11 LEU 69 1HD1 LEU 69 7.225 0.368 -3.327 545 HD12 LEU 69 2HD1 LEU 69 6.865 1.798 -2.361 546 HD13 LEU 69 3HD1 LEU 69 8.528 1.448 -2.832 547 HD21 LEU 69 1HD2 LEU 69 8.559 3.657 -3.462 548 HD22 LEU 69 2HD2 LEU 69 6.951 4.250 -3.881 549 HD23 LEU 69 3HD2 LEU 69 8.165 4.027 -5.142 550 HA PRO 70 HA PRO 70 9.961 1.763 -10.441 551 HB2 PRO 70 1HB PRO 70 11.388 4.067 -10.595 552 HB3 PRO 70 2HB PRO 70 9.737 3.916 -11.209 553 HG2 PRO 70 1HG PRO 70 10.698 5.078 -8.623 554 HG3 PRO 70 2HG PRO 70 9.461 5.693 -9.735 555 HD2 PRO 70 1HD PRO 70 8.842 4.350 -7.466 556 HD3 PRO 70 2HD PRO 70 7.846 4.257 -8.933 557 H GLU 71 H GLU 71 11.288 3.298 -7.527 558 HA GLU 71 HA GLU 71 13.601 1.490 -7.728 559 HB2 GLU 71 1HB GLU 71 13.937 4.053 -8.254 560 HB3 GLU 71 2HB GLU 71 13.924 4.196 -6.502 561 HG2 GLU 71 1HG GLU 71 15.760 2.558 -6.384 562 HG3 GLU 71 2HG GLU 71 15.800 2.512 -8.145 563 H ALA 72 H ALA 72 13.373 0.079 -6.123 564 HA ALA 72 HA ALA 72 12.008 0.756 -3.677 565 HB1 ALA 72 1HB ALA 72 11.908 -1.487 -4.854 566 HB2 ALA 72 2HB ALA 72 13.526 -1.782 -4.216 567 HB3 ALA 72 3HB ALA 72 12.175 -1.525 -3.111 568 H LYS 73 H LYS 73 13.230 2.290 -2.612 569 HA LYS 73 HA LYS 73 16.036 1.815 -2.076 570 HB2 LYS 73 1HB LYS 73 14.192 3.999 -1.088 571 HB3 LYS 73 2HB LYS 73 15.937 3.961 -0.873 572 HG2 LYS 73 1HG LYS 73 16.272 4.126 -3.260 573 HG3 LYS 73 2HG LYS 73 14.529 4.055 -3.534 574 HD2 LYS 73 1HD LYS 73 14.187 6.195 -2.785 575 HD3 LYS 73 2HD LYS 73 15.596 6.164 -1.723 576 HE2 LYS 73 1HE LYS 73 17.079 6.548 -3.498 577 HE3 LYS 73 2HE LYS 73 15.875 6.117 -4.711 578 HZ1 LYS 73 1HZ LYS 73 16.316 8.539 -4.507 579 HZ2 LYS 73 2HZ LYS 73 15.655 8.495 -2.951 580 HZ3 LYS 73 3HZ LYS 73 14.692 8.119 -4.290 581 H VAL 74 H VAL 74 16.950 1.416 -0.064 582 HA VAL 74 HA VAL 74 15.831 -0.415 1.602 583 HB VAL 74 HB VAL 74 17.752 1.754 2.461 584 HG11 VAL 74 1HG1 VAL 74 17.567 0.861 4.490 585 HG12 VAL 74 2HG1 VAL 74 16.532 -0.436 3.889 586 HG13 VAL 74 3HG1 VAL 74 18.286 -0.611 3.837 587 HG21 VAL 74 1HG2 VAL 74 18.174 0.012 0.457 588 HG22 VAL 74 2HG2 VAL 74 19.453 0.599 1.520 589 HG23 VAL 74 3HG2 VAL 74 18.702 -0.967 1.826 590 H GLN 75 H GLN 75 15.350 3.048 1.667 591 HA GLN 75 HA GLN 75 14.136 3.188 4.228 592 HB2 GLN 75 1HB GLN 75 13.911 5.027 1.840 593 HB3 GLN 75 2HB GLN 75 13.302 5.399 3.448 594 HG2 GLN 75 1HG GLN 75 15.477 5.486 4.358 595 HG3 GLN 75 2HG GLN 75 16.186 4.759 2.917 596 HE21 GLN 75 1HE2 GLN 75 17.417 6.222 1.980 597 HE22 GLN 75 2HE2 GLN 75 16.986 7.867 1.670 598 H ASP 76 H ASP 76 12.888 2.727 0.962 599 HA ASP 76 HA ASP 76 10.178 3.027 1.397 600 HB2 ASP 76 1HB ASP 76 11.749 1.269 -0.464 601 HB3 ASP 76 2HB ASP 76 9.990 1.183 -0.427 602 H SER 77 H SER 77 12.271 0.346 2.231 603 HA SER 77 HA SER 77 10.435 -1.662 2.709 604 HB2 SER 77 1HB SER 77 12.094 -2.730 3.976 605 HB3 SER 77 2HB SER 77 13.022 -1.680 2.904 606 HG SER 77 HG SER 77 13.545 -0.422 4.555 607 H GLY 78 H GLY 78 9.060 -2.204 4.343 608 HA2 GLY 78 1HA GLY 78 8.855 -1.595 6.911 609 HA3 GLY 78 2HA GLY 78 8.385 -0.057 6.203 610 H GLU 79 H GLU 79 6.345 -0.376 7.300 611 HA GLU 79 HA GLU 79 4.621 -2.414 6.075 612 HB2 GLU 79 1HB GLU 79 4.644 -2.497 8.489 613 HB3 GLU 79 2HB GLU 79 4.291 -0.778 8.593 614 HG2 GLU 79 1HG GLU 79 2.378 -2.566 7.177 615 HG3 GLU 79 2HG GLU 79 2.413 -2.560 8.939 616 H PHE 80 H PHE 80 3.047 -1.864 4.708 617 HA PHE 80 HA PHE 80 2.508 1.001 4.319 618 HB2 PHE 80 1HB PHE 80 2.461 -1.356 2.458 619 HB3 PHE 80 2HB PHE 80 1.546 0.098 2.076 620 HD1 PHE 80 1HD PHE 80 4.971 -1.003 3.030 621 HD2 PHE 80 2HD PHE 80 2.572 1.813 0.924 622 HE1 PHE 80 1HE PHE 80 7.002 0.020 2.091 623 HE2 PHE 80 2HE PHE 80 4.599 2.840 -0.018 624 HZ PHE 80 HZ PHE 80 6.818 1.944 0.564 625 H GLU 81 H GLU 81 0.531 1.796 4.675 626 HA GLU 81 HA GLU 81 -1.665 -0.119 5.119 627 HB2 GLU 81 1HB GLU 81 -0.818 1.028 7.187 628 HB3 GLU 81 2HB GLU 81 -1.332 2.555 6.483 629 HG2 GLU 81 1HG GLU 81 -3.646 1.531 6.321 630 HG3 GLU 81 2HG GLU 81 -3.033 0.247 7.361 631 H CYS 82 H CYS 82 -3.497 0.186 4.004 632 HA CYS 82 HA CYS 82 -3.691 2.617 2.356 633 HB2 CYS 82 1HB CYS 82 -3.553 0.173 1.367 634 HB3 CYS 82 2HB CYS 82 -5.270 0.150 1.753 635 HG CYS 82 HG CYS 82 -4.135 2.799 -0.012 636 H ARG 83 H ARG 83 -4.841 3.963 3.679 637 HA ARG 83 HA ARG 83 -7.252 3.021 4.987 638 HB2 ARG 83 1HB ARG 83 -5.672 4.630 6.076 639 HB3 ARG 83 2HB ARG 83 -6.136 5.826 4.873 640 HG2 ARG 83 1HG ARG 83 -8.384 5.869 5.682 641 HG3 ARG 83 2HG ARG 83 -8.072 4.507 6.760 642 HD2 ARG 83 1HD ARG 83 -6.388 5.910 7.938 643 HD3 ARG 83 2HD ARG 83 -6.880 7.270 6.929 644 HE ARG 83 HE ARG 83 -9.137 6.166 8.206 645 HH11 ARG 83 2HH1 ARG 83 -6.282 8.040 8.887 646 HH12 ARG 83 1HH1 ARG 83 -6.987 8.865 10.237 647 HH21 ARG 83 2HH2 ARG 83 -10.076 7.246 9.982 648 HH22 ARG 83 1HH2 ARG 83 -9.145 8.412 10.860 649 H THR 84 H THR 84 -9.337 3.873 4.615 650 HA THR 84 HA THR 84 -9.706 5.317 2.084 651 HB THR 84 HB THR 84 -10.265 3.235 1.277 652 HG1 THR 84 1HG THR 84 -12.758 3.799 2.500 653 HG21 THR 84 1HG2 THR 84 -10.247 1.523 2.707 654 HG22 THR 84 2HG2 THR 84 -11.913 1.927 3.123 655 HG23 THR 84 3HG2 THR 84 -10.581 2.591 4.070 656 H GLU 85 H GLU 85 -11.955 3.844 4.411 657 HA GLU 85 HA GLU 85 -13.038 6.537 4.924 658 HB2 GLU 85 1HB GLU 85 -14.614 5.192 3.646 659 HB3 GLU 85 2HB GLU 85 -14.500 3.894 4.826 660 HG2 GLU 85 1HG GLU 85 -15.809 4.967 6.347 661 HG3 GLU 85 2HG GLU 85 -15.342 6.571 5.784 662 H GLY 86 H GLY 86 -13.226 3.287 6.396 663 HA2 GLY 86 1HA GLY 86 -12.500 4.537 8.971 664 HA3 GLY 86 2HA GLY 86 -13.823 3.386 8.853 665 H VAL 87 H VAL 87 -12.183 1.868 6.799 666 HA VAL 87 HA VAL 87 -10.421 0.510 8.734 667 HB VAL 87 HB VAL 87 -10.808 -1.564 7.517 668 HG11 VAL 87 1HG1 VAL 87 -12.442 -1.807 9.004 669 HG12 VAL 87 2HG1 VAL 87 -12.835 -0.088 8.935 670 HG13 VAL 87 3HG1 VAL 87 -13.564 -1.207 7.783 671 HG21 VAL 87 1HG2 VAL 87 -12.111 -1.774 5.611 672 HG22 VAL 87 2HG2 VAL 87 -12.936 -0.239 5.882 673 HG23 VAL 87 3HG2 VAL 87 -11.262 -0.254 5.327 674 H SER 88 H SER 88 -8.525 -0.557 7.843 675 HA SER 88 HA SER 88 -7.617 0.434 5.246 676 HB2 SER 88 1HB SER 88 -5.719 0.624 7.558 677 HB3 SER 88 2HB SER 88 -5.709 1.503 6.029 678 HG SER 88 HG SER 88 -7.874 2.309 7.022 679 H ALA 89 H ALA 89 -5.467 -0.592 4.654 680 HA ALA 89 HA ALA 89 -5.504 -3.403 5.527 681 HB1 ALA 89 1HB ALA 89 -4.674 -2.139 2.926 682 HB2 ALA 89 2HB ALA 89 -4.310 -3.814 3.341 683 HB3 ALA 89 3HB ALA 89 -5.986 -3.282 3.214 684 H PHE 90 H PHE 90 -3.205 -4.429 4.967 685 HA PHE 90 HA PHE 90 -1.031 -2.673 5.787 686 HB2 PHE 90 1HB PHE 90 -1.900 -5.099 7.366 687 HB3 PHE 90 2HB PHE 90 -0.332 -4.322 7.559 688 HD1 PHE 90 1HD PHE 90 -3.982 -3.701 7.780 689 HD2 PHE 90 2HD PHE 90 -0.080 -2.493 8.979 690 HE1 PHE 90 1HE PHE 90 -4.968 -2.126 9.393 691 HE2 PHE 90 2HE PHE 90 -1.060 -0.917 10.594 692 HZ PHE 90 HZ PHE 90 -3.507 -0.732 10.803 693 H PHE 91 H PHE 91 0.718 -3.104 4.621 694 HA PHE 91 HA PHE 91 1.089 -5.833 3.584 695 HB2 PHE 91 1HB PHE 91 1.625 -3.278 2.055 696 HB3 PHE 91 2HB PHE 91 1.890 -4.915 1.466 697 HD1 PHE 91 2HD PHE 91 -0.665 -2.438 2.399 698 HD2 PHE 91 1HD PHE 91 0.100 -6.230 0.623 699 HE1 PHE 91 2HE PHE 91 -2.964 -2.489 1.525 700 HE2 PHE 91 1HE PHE 91 -2.198 -6.287 -0.254 701 HZ PHE 91 HZ PHE 91 -3.734 -4.415 0.198 702 H GLY 92 H GLY 92 2.915 -6.667 4.334 703 HA2 GLY 92 1HA GLY 92 4.971 -4.963 5.447 704 HA3 GLY 92 2HA GLY 92 4.948 -6.720 5.460 705 H VAL 93 H VAL 93 6.809 -4.345 4.515 706 HA VAL 93 HA VAL 93 7.714 -5.771 2.106 707 HB VAL 93 HB VAL 93 7.657 -2.769 2.447 708 HG11 VAL 93 1HG1 VAL 93 8.228 -3.529 -0.210 709 HG12 VAL 93 2HG1 VAL 93 9.277 -2.687 0.932 710 HG13 VAL 93 3HG1 VAL 93 9.310 -4.448 0.835 711 HG21 VAL 93 1HG2 VAL 93 5.491 -4.049 1.899 712 HG22 VAL 93 2HG2 VAL 93 5.937 -2.685 0.875 713 HG23 VAL 93 3HG2 VAL 93 6.231 -4.334 0.324 714 H THR 94 H THR 94 9.910 -5.974 1.852 715 HA THR 94 HA THR 94 11.666 -4.676 3.802 716 HB THR 94 HB THR 94 11.685 -7.660 3.305 717 HG1 THR 94 1HG THR 94 11.290 -7.423 5.757 718 HG21 THR 94 1HG2 THR 94 13.215 -6.854 5.567 719 HG22 THR 94 2HG2 THR 94 13.730 -5.895 4.180 720 HG23 THR 94 3HG2 THR 94 13.765 -7.656 4.097 721 H VAL 95 H VAL 95 13.024 -3.584 2.534 722 HA VAL 95 HA VAL 95 13.887 -4.726 -0.012 723 HB VAL 95 HB VAL 95 14.430 -1.990 1.150 724 HG11 VAL 95 1HG1 VAL 95 14.943 -3.140 -1.589 725 HG12 VAL 95 2HG1 VAL 95 15.067 -1.427 -1.184 726 HG13 VAL 95 3HG1 VAL 95 16.146 -2.595 -0.421 727 HG21 VAL 95 1HG2 VAL 95 12.014 -2.805 0.427 728 HG22 VAL 95 2HG2 VAL 95 12.591 -1.176 0.073 729 HG23 VAL 95 3HG2 VAL 95 12.636 -2.419 -1.177 730 H GLN 96 H GLN 96 15.459 -6.206 0.342 731 HA GLN 96 HA GLN 96 17.639 -5.578 2.179 732 HB2 GLN 96 1HB GLN 96 16.665 -8.063 0.833 733 HB3 GLN 96 2HB GLN 96 18.339 -7.985 1.367 734 HG2 GLN 96 1HG GLN 96 17.364 -7.273 3.634 735 HG3 GLN 96 2HG GLN 96 15.838 -7.891 3.004 736 HE21 GLN 96 1HE2 GLN 96 15.457 -10.011 3.090 737 HE22 GLN 96 2HE2 GLN 96 16.604 -11.208 3.577 738 H ASP 97 H ASP 97 19.461 -4.695 1.485 739 HA ASP 97 HA ASP 97 19.967 -4.164 -1.246 740 HB2 ASP 97 1HB ASP 97 22.087 -3.238 -0.493 741 HB3 ASP 97 2HB ASP 97 20.799 -2.745 0.603 742 HA PRO 98 HA PRO 98 21.803 -7.998 -2.460 743 HB2 PRO 98 1HB PRO 98 22.879 -7.145 -4.802 744 HB3 PRO 98 2HB PRO 98 21.150 -7.447 -4.593 745 HG2 PRO 98 1HG PRO 98 22.641 -4.852 -4.520 746 HG3 PRO 98 2HG PRO 98 21.092 -5.231 -5.295 747 HD2 PRO 98 1HD PRO 98 21.256 -3.961 -2.909 748 HD3 PRO 98 2HD PRO 98 19.917 -5.053 -3.320 749 H SER 99 H SER 99 24.021 -8.656 -3.478 750 HA SER 99 HA SER 99 26.088 -7.432 -1.802 751 HB2 SER 99 1HB SER 99 25.563 -9.960 -1.811 752 HB3 SER 99 2HB SER 99 26.404 -9.989 -3.361 753 HG SER 99 HG SER 99 27.530 -10.211 -1.079 754 H GLY 100 H GLY 100 26.284 -5.586 -3.244 755 HA2 GLY 100 1HA GLY 100 28.198 -6.156 -5.386 756 HA3 GLY 100 2HA GLY 100 26.750 -5.254 -5.807 757 HA PRO 101 HA PRO 101 30.150 -2.659 -3.504 758 HB2 PRO 101 1HB PRO 101 32.133 -2.366 -5.335 759 HB3 PRO 101 2HB PRO 101 32.135 -3.642 -4.112 760 HG2 PRO 101 1HG PRO 101 31.335 -3.781 -6.994 761 HG3 PRO 101 2HG PRO 101 32.295 -4.929 -6.042 762 HD2 PRO 101 1HD PRO 101 29.670 -5.320 -6.584 763 HD3 PRO 101 2HD PRO 101 30.430 -5.884 -5.081 764 H SER 102 H SER 102 29.500 -0.611 -3.614 765 HA SER 102 HA SER 102 29.557 0.856 -6.092 766 HB2 SER 102 1HB SER 102 27.365 -0.176 -6.311 767 HB3 SER 102 2HB SER 102 26.919 0.359 -4.692 768 HG SER 102 HG SER 102 26.251 2.111 -5.619 769 H SER 103 H SER 103 30.039 2.932 -5.719 770 HA SER 103 HA SER 103 30.607 3.824 -3.099 771 HB2 SER 103 1HB SER 103 31.088 6.000 -4.169 772 HB3 SER 103 2HB SER 103 31.838 4.663 -5.040 773 HG SER 103 HG SER 103 29.284 5.511 -5.812 774 H GLY 104 H GLY 104 27.739 3.847 -4.968 775 HA2 GLY 104 1HA GLY 104 25.644 4.708 -4.597 776 HA3 GLY 104 2HA GLY 104 26.091 4.707 -2.898 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -25.163 3.174 1.474 2 HA2 GLY 1 1HA GLY 1 -26.936 4.176 3.130 3 HA3 GLY 1 2HA GLY 1 -27.253 4.250 1.403 4 H SER 2 H SER 2 -29.511 4.271 1.944 5 HA SER 2 HA SER 2 -30.897 2.404 3.416 6 HB2 SER 2 1HB SER 2 -31.681 4.524 2.032 7 HB3 SER 2 2HB SER 2 -32.088 3.303 0.826 8 HG SER 2 HG SER 2 -33.679 2.629 2.041 9 H SER 3 H SER 3 -32.003 0.478 2.912 10 HA SER 3 HA SER 3 -32.097 -1.654 2.113 11 HB2 SER 3 1HB SER 3 -33.075 -0.170 0.197 12 HB3 SER 3 2HB SER 3 -31.586 -0.592 -0.648 13 HG SER 3 HG SER 3 -33.356 -2.494 0.489 14 H GLY 4 H GLY 4 -29.479 -0.607 2.872 15 HA2 GLY 4 1HA GLY 4 -27.815 -2.420 1.238 16 HA3 GLY 4 2HA GLY 4 -27.220 -0.857 1.777 17 H SER 5 H SER 5 -26.045 -3.423 2.305 18 HA SER 5 HA SER 5 -26.658 -4.321 4.918 19 HB2 SER 5 1HB SER 5 -24.149 -4.617 3.253 20 HB3 SER 5 2HB SER 5 -24.420 -5.447 4.785 21 HG SER 5 HG SER 5 -26.521 -6.051 3.540 22 H SER 6 H SER 6 -24.864 -4.323 6.656 23 HA SER 6 HA SER 6 -24.429 -1.587 7.401 24 HB2 SER 6 1HB SER 6 -23.470 -2.539 9.467 25 HB3 SER 6 2HB SER 6 -25.036 -3.257 9.088 26 HG SER 6 HG SER 6 -22.668 -4.466 9.389 27 H GLY 7 H GLY 7 -22.729 -0.387 6.887 28 HA2 GLY 7 1HA GLY 7 -20.282 -0.173 7.060 29 HA3 GLY 7 2HA GLY 7 -20.176 -1.760 6.314 30 HA PRO 8 HA PRO 8 -20.905 1.879 3.153 31 HB2 PRO 8 1HB PRO 8 -18.781 3.554 3.390 32 HB3 PRO 8 2HB PRO 8 -20.309 3.812 4.242 33 HG2 PRO 8 1HG PRO 8 -17.757 2.614 5.249 34 HG3 PRO 8 2HG PRO 8 -18.841 3.770 6.045 35 HD2 PRO 8 1HD PRO 8 -18.856 1.124 6.622 36 HD3 PRO 8 2HD PRO 8 -20.319 2.126 6.698 37 H VAL 9 H VAL 9 -17.579 1.059 4.169 38 HA VAL 9 HA VAL 9 -17.162 -0.262 1.592 39 HB VAL 9 HB VAL 9 -16.220 1.811 1.044 40 HG11 VAL 9 1HG1 VAL 9 -16.028 3.214 2.790 41 HG12 VAL 9 2HG1 VAL 9 -15.585 1.925 3.910 42 HG13 VAL 9 3HG1 VAL 9 -14.366 2.629 2.847 43 HG21 VAL 9 1HG2 VAL 9 -14.724 -0.075 0.585 44 HG22 VAL 9 2HG2 VAL 9 -13.821 1.405 0.910 45 HG23 VAL 9 3HG2 VAL 9 -13.950 0.160 2.153 46 H HIS 10 H HIS 10 -16.054 -2.114 1.771 47 HA HIS 10 HA HIS 10 -14.415 -2.559 4.166 48 HB2 HIS 10 1HB HIS 10 -15.335 -4.915 4.233 49 HB3 HIS 10 2HB HIS 10 -16.460 -3.650 4.719 50 HD1 HIS 10 1HD HIS 10 -18.330 -3.015 2.938 51 HD2 HIS 10 2HD HIS 10 -16.149 -6.452 2.109 52 HE1 HIS 10 1HE HIS 10 -19.656 -4.248 1.193 53 HE2 HIS 10 2HE HIS 10 -18.360 -6.366 0.770 54 H ILE 11 H ILE 11 -12.497 -3.476 3.761 55 HA ILE 11 HA ILE 11 -11.623 -3.870 1.101 56 HB ILE 11 HB ILE 11 -10.365 -4.573 3.747 57 HG12 ILE 11 1HG1 ILE 11 -9.396 -2.558 1.740 58 HG13 ILE 11 2HG1 ILE 11 -10.681 -2.147 2.871 59 HG21 ILE 11 1HG2 ILE 11 -8.262 -4.882 2.383 60 HG22 ILE 11 2HG2 ILE 11 -9.462 -6.166 2.252 61 HG23 ILE 11 3HG2 ILE 11 -9.303 -4.974 0.963 62 HD11 ILE 11 1HD1 ILE 11 -9.265 -2.413 4.728 63 HD12 ILE 11 2HD1 ILE 11 -8.027 -3.221 3.765 64 HD13 ILE 11 3HD1 ILE 11 -8.338 -1.500 3.536 65 H LEU 12 H LEU 12 -11.298 -5.691 -0.094 66 HA LEU 12 HA LEU 12 -12.483 -8.161 0.967 67 HB2 LEU 12 1HB LEU 12 -11.871 -7.850 -1.919 68 HB3 LEU 12 2HB LEU 12 -13.206 -8.690 -1.132 69 HG LEU 12 HG LEU 12 -12.987 -5.691 -1.373 70 HD11 LEU 12 1HD1 LEU 12 -14.624 -5.841 -3.136 71 HD12 LEU 12 2HD1 LEU 12 -14.669 -7.598 -2.992 72 HD13 LEU 12 3HD1 LEU 12 -13.207 -6.799 -3.569 73 HD21 LEU 12 1HD2 LEU 12 -15.049 -5.551 -0.386 74 HD22 LEU 12 2HD2 LEU 12 -14.379 -6.934 0.479 75 HD23 LEU 12 3HD2 LEU 12 -15.508 -7.189 -0.853 76 H SER 13 H SER 13 -9.616 -6.804 -0.509 77 HA SER 13 HA SER 13 -8.037 -9.027 0.413 78 HB2 SER 13 1HB SER 13 -8.754 -9.993 -1.679 79 HB3 SER 13 2HB SER 13 -8.357 -8.513 -2.552 80 HG SER 13 HG SER 13 -6.508 -10.193 -1.201 81 HA PRO 14 HA PRO 14 -6.084 -9.619 0.708 82 HB2 PRO 14 1HB PRO 14 -4.579 -9.036 2.891 83 HB3 PRO 14 2HB PRO 14 -3.893 -9.218 1.272 84 HG2 PRO 14 1HG PRO 14 -4.598 -6.718 2.761 85 HG3 PRO 14 2HG PRO 14 -3.161 -7.071 1.784 86 HD2 PRO 14 1HD PRO 14 -5.238 -5.611 0.844 87 HD3 PRO 14 2HD PRO 14 -4.253 -6.654 -0.202 88 H GLN 15 H GLN 15 -6.150 -10.298 3.268 89 HA GLN 15 HA GLN 15 -8.488 -8.924 4.414 90 HB2 GLN 15 1HB GLN 15 -8.059 -11.800 3.815 91 HB3 GLN 15 2HB GLN 15 -8.875 -11.417 5.325 92 HG2 GLN 15 1HG GLN 15 -9.832 -10.076 2.861 93 HG3 GLN 15 2HG GLN 15 -10.188 -11.790 3.062 94 HE21 GLN 15 1HE2 GLN 15 -12.117 -9.745 2.968 95 HE22 GLN 15 2HE2 GLN 15 -12.915 -9.688 4.500 96 H ASP 16 H ASP 16 -5.472 -10.583 4.934 97 HA ASP 16 HA ASP 16 -5.475 -9.615 7.706 98 HB2 ASP 16 1HB ASP 16 -4.547 -12.362 6.836 99 HB3 ASP 16 2HB ASP 16 -4.405 -11.697 8.461 100 H LYS 17 H LYS 17 -3.322 -9.383 8.625 101 HA LYS 17 HA LYS 17 -1.578 -7.885 7.218 102 HB2 LYS 17 1HB LYS 17 -1.408 -8.284 9.642 103 HB3 LYS 17 2HB LYS 17 -0.796 -9.903 9.330 104 HG2 LYS 17 1HG LYS 17 1.108 -8.653 9.797 105 HG3 LYS 17 2HG LYS 17 1.081 -8.745 8.035 106 HD2 LYS 17 1HD LYS 17 -0.198 -6.504 8.168 107 HD3 LYS 17 2HD LYS 17 0.428 -6.424 9.817 108 HE2 LYS 17 1HE LYS 17 2.059 -5.294 8.642 109 HE3 LYS 17 2HE LYS 17 2.715 -6.930 8.677 110 HZ1 LYS 17 1HZ LYS 17 1.383 -5.546 6.426 111 HZ2 LYS 17 2HZ LYS 17 1.596 -7.224 6.447 112 HZ3 LYS 17 3HZ LYS 17 2.943 -6.201 6.478 113 H VAL 18 H VAL 18 -0.141 -8.132 5.625 114 HA VAL 18 HA VAL 18 0.464 -10.873 4.736 115 HB VAL 18 HB VAL 18 0.847 -9.994 2.525 116 HG11 VAL 18 1HG1 VAL 18 -1.657 -8.565 3.222 117 HG12 VAL 18 2HG1 VAL 18 -1.340 -9.742 1.947 118 HG13 VAL 18 3HG1 VAL 18 -1.562 -10.282 3.612 119 HG21 VAL 18 1HG2 VAL 18 -0.080 -7.282 2.922 120 HG22 VAL 18 2HG2 VAL 18 1.396 -7.605 3.833 121 HG23 VAL 18 3HG2 VAL 18 1.360 -7.869 2.090 122 H SER 19 H SER 19 2.612 -10.810 3.338 123 HA SER 19 HA SER 19 4.674 -9.160 4.549 124 HB2 SER 19 1HB SER 19 6.061 -11.111 5.178 125 HB3 SER 19 2HB SER 19 4.556 -11.049 6.095 126 HG SER 19 HG SER 19 3.957 -12.863 5.214 127 H LEU 20 H LEU 20 5.870 -8.445 2.926 128 HA LEU 20 HA LEU 20 6.483 -10.271 0.703 129 HB2 LEU 20 1HB LEU 20 5.955 -7.330 0.354 130 HB3 LEU 20 2HB LEU 20 6.172 -8.546 -0.904 131 HG LEU 20 HG LEU 20 3.860 -8.757 0.982 132 HD11 LEU 20 1HD1 LEU 20 3.651 -7.208 -1.571 133 HD12 LEU 20 2HD1 LEU 20 4.073 -6.407 -0.058 134 HD13 LEU 20 3HD1 LEU 20 2.538 -7.264 -0.204 135 HD21 LEU 20 1HD2 LEU 20 3.247 -9.365 -1.708 136 HD22 LEU 20 2HD2 LEU 20 3.394 -10.473 -0.343 137 HD23 LEU 20 3HD2 LEU 20 4.803 -10.112 -1.343 138 H THR 21 H THR 21 8.465 -9.849 -0.399 139 HA THR 21 HA THR 21 10.308 -7.992 0.920 140 HB THR 21 HB THR 21 11.086 -10.851 0.332 141 HG1 THR 21 1HG THR 21 10.378 -11.347 2.261 142 HG21 THR 21 1HG2 THR 21 12.987 -9.414 0.283 143 HG22 THR 21 2HG2 THR 21 13.003 -10.229 1.847 144 HG23 THR 21 3HG2 THR 21 12.456 -8.557 1.729 145 H PHE 22 H PHE 22 11.704 -7.005 -0.439 146 HA PHE 22 HA PHE 22 12.003 -8.067 -3.158 147 HB2 PHE 22 1HB PHE 22 11.328 -5.200 -2.467 148 HB3 PHE 22 2HB PHE 22 11.748 -5.780 -4.076 149 HD1 PHE 22 2HD PHE 22 10.199 -7.135 -5.356 150 HD2 PHE 22 1HD PHE 22 9.182 -5.684 -1.486 151 HE1 PHE 22 2HE PHE 22 7.835 -7.667 -5.781 152 HE2 PHE 22 1HE PHE 22 6.816 -6.215 -1.904 153 HZ PHE 22 HZ PHE 22 6.140 -7.207 -4.055 154 H THR 23 H THR 23 13.789 -6.915 -4.355 155 HA THR 23 HA THR 23 16.034 -6.506 -2.507 156 HB THR 23 HB THR 23 16.094 -7.154 -5.461 157 HG1 THR 23 1HG THR 23 16.353 -9.218 -4.854 158 HG21 THR 23 1HG2 THR 23 18.516 -7.753 -4.817 159 HG22 THR 23 2HG2 THR 23 18.239 -6.738 -3.402 160 HG23 THR 23 3HG2 THR 23 18.107 -6.050 -5.021 161 H THR 24 H THR 24 17.389 -4.738 -2.668 162 HA THR 24 HA THR 24 16.366 -2.267 -3.209 163 HB THR 24 HB THR 24 19.269 -3.073 -3.481 164 HG1 THR 24 1HG THR 24 18.137 -1.808 -1.230 165 HG21 THR 24 1HG2 THR 24 19.216 -0.948 -4.409 166 HG22 THR 24 2HG2 THR 24 19.509 -0.596 -2.706 167 HG23 THR 24 3HG2 THR 24 17.888 -0.420 -3.377 168 H SER 25 H SER 25 16.754 -0.706 -4.892 169 HA SER 25 HA SER 25 16.538 -0.037 -7.060 170 HB2 SER 25 1HB SER 25 18.307 -0.743 -8.569 171 HB3 SER 25 2HB SER 25 18.981 -0.510 -6.956 172 HG SER 25 HG SER 25 18.062 -3.058 -7.612 173 H GLU 26 H GLU 26 14.498 -1.638 -6.453 174 HA GLU 26 HA GLU 26 14.094 -3.147 -8.935 175 HB2 GLU 26 1HB GLU 26 13.440 -4.139 -6.156 176 HB3 GLU 26 2HB GLU 26 12.865 -4.895 -7.636 177 HG2 GLU 26 1HG GLU 26 15.789 -4.484 -7.173 178 HG3 GLU 26 2HG GLU 26 14.944 -5.854 -6.456 179 H ARG 27 H ARG 27 11.661 -3.793 -9.070 180 HA ARG 27 HA ARG 27 10.139 -1.349 -8.527 181 HB2 ARG 27 1HB ARG 27 10.289 -2.215 -10.866 182 HB3 ARG 27 2HB ARG 27 9.425 -3.656 -10.344 183 HG2 ARG 27 1HG ARG 27 7.666 -1.886 -9.505 184 HG3 ARG 27 2HG ARG 27 8.435 -0.885 -10.738 185 HD2 ARG 27 1HD ARG 27 7.976 -2.559 -12.427 186 HD3 ARG 27 2HD ARG 27 7.300 -3.639 -11.208 187 HE ARG 27 HE ARG 27 5.875 -1.250 -11.099 188 HH11 ARG 27 2HH1 ARG 27 6.429 -3.866 -13.328 189 HH12 ARG 27 1HH1 ARG 27 4.885 -3.710 -14.099 190 HH21 ARG 27 2HH2 ARG 27 3.839 -1.035 -12.105 191 HH22 ARG 27 1HH2 ARG 27 3.413 -2.098 -13.402 192 H VAL 28 H VAL 28 8.879 -1.339 -6.795 193 HA VAL 28 HA VAL 28 7.724 -3.884 -5.867 194 HB VAL 28 HB VAL 28 8.312 -1.359 -4.319 195 HG11 VAL 28 1HG1 VAL 28 6.882 -2.005 -2.748 196 HG12 VAL 28 2HG1 VAL 28 6.317 -3.277 -3.833 197 HG13 VAL 28 3HG1 VAL 28 7.614 -3.607 -2.684 198 HG21 VAL 28 1HG2 VAL 28 9.677 -3.960 -4.662 199 HG22 VAL 28 2HG2 VAL 28 10.346 -2.360 -4.340 200 HG23 VAL 28 3HG2 VAL 28 9.632 -3.297 -3.028 201 H VAL 29 H VAL 29 5.651 -4.130 -6.348 202 HA VAL 29 HA VAL 29 3.888 -1.773 -6.239 203 HB VAL 29 HB VAL 29 3.971 -2.131 -8.533 204 HG11 VAL 29 1HG1 VAL 29 3.542 -4.704 -9.252 205 HG12 VAL 29 2HG1 VAL 29 5.141 -3.973 -9.091 206 HG13 VAL 29 3HG1 VAL 29 4.468 -4.927 -7.768 207 HG21 VAL 29 1HG2 VAL 29 1.644 -2.305 -7.452 208 HG22 VAL 29 2HG2 VAL 29 1.814 -2.785 -9.140 209 HG23 VAL 29 3HG2 VAL 29 1.730 -4.014 -7.879 210 H LEU 30 H LEU 30 2.393 -2.002 -4.725 211 HA LEU 30 HA LEU 30 1.768 -4.643 -3.679 212 HB2 LEU 30 1HB LEU 30 0.766 -1.948 -2.777 213 HB3 LEU 30 2HB LEU 30 0.615 -3.473 -1.907 214 HG LEU 30 HG LEU 30 3.280 -2.222 -2.532 215 HD11 LEU 30 1HD1 LEU 30 1.646 -0.787 -1.136 216 HD12 LEU 30 2HD1 LEU 30 3.278 -1.060 -0.529 217 HD13 LEU 30 3HD1 LEU 30 1.928 -1.986 0.126 218 HD21 LEU 30 1HD2 LEU 30 2.678 -4.006 -0.221 219 HD22 LEU 30 2HD2 LEU 30 4.182 -3.785 -1.115 220 HD23 LEU 30 3HD2 LEU 30 2.862 -4.714 -1.826 221 H THR 31 H THR 31 -0.738 -4.623 -2.881 222 HA THR 31 HA THR 31 -2.503 -3.742 -5.016 223 HB THR 31 HB THR 31 -2.453 -6.671 -4.295 224 HG1 THR 31 1HG THR 31 -0.599 -6.464 -5.426 225 HG21 THR 31 1HG2 THR 31 -3.916 -6.950 -6.158 226 HG22 THR 31 2HG2 THR 31 -3.670 -5.283 -6.679 227 HG23 THR 31 3HG2 THR 31 -4.558 -5.621 -5.194 228 H CYS 32 H CYS 32 -4.623 -3.525 -4.383 229 HA CYS 32 HA CYS 32 -5.528 -4.625 -1.865 230 HB2 CYS 32 1HB CYS 32 -4.281 -2.471 -1.332 231 HB3 CYS 32 2HB CYS 32 -5.558 -1.627 -2.199 232 HG CYS 32 HG CYS 32 -6.855 -3.669 0.049 233 H GLU 33 H GLU 33 -7.761 -4.665 -1.664 234 HA GLU 33 HA GLU 33 -9.268 -3.629 -3.975 235 HB2 GLU 33 1HB GLU 33 -8.870 -6.204 -3.752 236 HB3 GLU 33 2HB GLU 33 -10.117 -6.105 -2.517 237 HG2 GLU 33 1HG GLU 33 -11.755 -5.484 -4.036 238 HG3 GLU 33 2HG GLU 33 -10.577 -4.958 -5.238 239 H LEU 34 H LEU 34 -11.407 -2.947 -3.589 240 HA LEU 34 HA LEU 34 -12.149 -2.633 -0.760 241 HB2 LEU 34 1HB LEU 34 -12.128 -0.539 -2.917 242 HB3 LEU 34 2HB LEU 34 -13.077 -0.370 -1.441 243 HG LEU 34 HG LEU 34 -10.086 -0.733 -1.456 244 HD11 LEU 34 1HD1 LEU 34 -11.607 1.554 -2.229 245 HD12 LEU 34 2HD1 LEU 34 -9.857 1.374 -2.101 246 HD13 LEU 34 3HD1 LEU 34 -10.795 1.888 -0.699 247 HD21 LEU 34 1HD2 LEU 34 -11.539 -1.270 0.593 248 HD22 LEU 34 2HD2 LEU 34 -11.787 0.473 0.699 249 HD23 LEU 34 3HD2 LEU 34 -10.158 -0.196 0.811 250 H SER 35 H SER 35 -14.513 -1.769 -0.649 251 HA SER 35 HA SER 35 -16.107 -3.452 -2.457 252 HB2 SER 35 1HB SER 35 -16.136 -3.805 0.095 253 HB3 SER 35 2HB SER 35 -17.076 -2.314 0.160 254 HG SER 35 HG SER 35 -18.708 -3.278 -0.907 255 H ARG 36 H ARG 36 -15.156 -0.400 -2.347 256 HA ARG 36 HA ARG 36 -17.711 0.605 -3.402 257 HB2 ARG 36 1HB ARG 36 -15.922 1.818 -1.346 258 HB3 ARG 36 2HB ARG 36 -16.740 2.890 -2.475 259 HG2 ARG 36 1HG ARG 36 -18.871 1.590 -1.777 260 HG3 ARG 36 2HG ARG 36 -17.903 1.106 -0.383 261 HD2 ARG 36 1HD ARG 36 -19.069 3.042 0.287 262 HD3 ARG 36 2HD ARG 36 -17.417 3.566 -0.039 263 HE ARG 36 HE ARG 36 -18.625 4.040 -2.384 264 HH11 ARG 36 2HH1 ARG 36 -19.517 4.820 0.890 265 HH12 ARG 36 1HH1 ARG 36 -20.368 6.264 0.452 266 HH21 ARG 36 2HH2 ARG 36 -19.744 5.939 -2.973 267 HH22 ARG 36 1HH2 ARG 36 -20.498 6.899 -1.745 268 H VAL 37 H VAL 37 -17.482 1.078 -5.477 269 HA VAL 37 HA VAL 37 -14.921 1.380 -6.708 270 HB VAL 37 HB VAL 37 -17.677 1.866 -7.847 271 HG11 VAL 37 1HG1 VAL 37 -16.671 2.649 -9.664 272 HG12 VAL 37 2HG1 VAL 37 -15.093 2.443 -8.901 273 HG13 VAL 37 3HG1 VAL 37 -15.804 1.123 -9.831 274 HG21 VAL 37 1HG2 VAL 37 -17.808 -0.332 -8.397 275 HG22 VAL 37 2HG2 VAL 37 -16.062 -0.507 -8.576 276 HG23 VAL 37 3HG2 VAL 37 -16.787 -0.493 -6.968 277 H ASP 38 H ASP 38 -13.870 3.184 -7.354 278 HA ASP 38 HA ASP 38 -13.289 5.377 -7.530 279 HB2 ASP 38 1HB ASP 38 -15.501 5.351 -8.864 280 HB3 ASP 38 2HB ASP 38 -16.203 6.119 -7.443 281 H PHE 39 H PHE 39 -12.995 4.471 -5.068 282 HA PHE 39 HA PHE 39 -14.184 6.516 -3.312 283 HB2 PHE 39 1HB PHE 39 -14.478 3.907 -2.938 284 HB3 PHE 39 2HB PHE 39 -12.891 4.069 -2.194 285 HD1 PHE 39 2HD PHE 39 -16.346 5.419 -2.087 286 HD2 PHE 39 1HD PHE 39 -12.685 4.815 -0.002 287 HE1 PHE 39 2HE PHE 39 -17.407 6.194 -0.007 288 HE2 PHE 39 1HE PHE 39 -13.741 5.587 2.082 289 HZ PHE 39 HZ PHE 39 -16.104 6.279 2.081 290 HA PRO 40 HA PRO 40 -10.168 8.260 -2.821 291 HB2 PRO 40 1HB PRO 40 -10.588 9.601 -0.498 292 HB3 PRO 40 2HB PRO 40 -11.248 10.135 -2.049 293 HG2 PRO 40 1HG PRO 40 -12.586 8.616 0.157 294 HG3 PRO 40 2HG PRO 40 -13.209 9.965 -0.810 295 HD2 PRO 40 1HD PRO 40 -13.875 7.388 -1.306 296 HD3 PRO 40 2HD PRO 40 -13.746 8.605 -2.592 297 H ALA 41 H ALA 41 -8.336 8.277 -1.350 298 HA ALA 41 HA ALA 41 -8.277 6.855 1.080 299 HB1 ALA 41 1HB ALA 41 -7.418 5.305 -1.355 300 HB2 ALA 41 2HB ALA 41 -6.953 4.877 0.291 301 HB3 ALA 41 3HB ALA 41 -8.654 4.867 -0.176 302 H THR 42 H THR 42 -6.040 6.502 1.864 303 HA THR 42 HA THR 42 -4.001 8.028 0.421 304 HB THR 42 HB THR 42 -4.762 8.568 3.298 305 HG1 THR 42 1HG THR 42 -5.910 9.535 1.294 306 HG21 THR 42 1HG2 THR 42 -2.250 8.628 2.464 307 HG22 THR 42 2HG2 THR 42 -2.890 9.867 3.544 308 HG23 THR 42 3HG2 THR 42 -2.753 10.188 1.815 309 H TRP 43 H TRP 43 -2.170 6.914 0.364 310 HA TRP 43 HA TRP 43 -1.827 4.560 1.973 311 HB2 TRP 43 1HB TRP 43 -0.131 5.900 -0.130 312 HB3 TRP 43 2HB TRP 43 0.418 4.477 0.753 313 HD1 TRP 43 HD TRP 43 -2.115 5.566 -1.898 314 HE1 TRP 43 1HE TRP 43 -3.022 3.468 -3.081 315 HE3 TRP 43 3HE TRP 43 -0.015 1.982 1.083 316 HZ2 TRP 43 2HZ TRP 43 -2.868 0.664 -2.789 317 HZ3 TRP 43 3HZ TRP 43 -0.445 -0.384 0.563 318 HH2 TRP 43 HH TRP 43 -1.843 -1.028 -1.333 319 H TYR 44 H TYR 44 -0.645 4.308 3.773 320 HA TYR 44 HA TYR 44 1.050 6.559 4.635 321 HB2 TYR 44 1HB TYR 44 -0.866 4.886 6.257 322 HB3 TYR 44 2HB TYR 44 0.403 5.855 6.997 323 HD1 TYR 44 2HD TYR 44 0.310 8.305 6.906 324 HD2 TYR 44 1HD TYR 44 -2.823 5.915 5.300 325 HE1 TYR 44 2HE TYR 44 -1.161 10.275 6.858 326 HE2 TYR 44 1HE TYR 44 -4.302 7.879 5.246 327 HH TYR 44 HH TYR 44 -4.478 10.085 6.449 328 H LYS 45 H LYS 45 3.064 6.074 5.277 329 HA LYS 45 HA LYS 45 3.776 3.222 5.476 330 HB2 LYS 45 1HB LYS 45 4.742 4.587 3.556 331 HB3 LYS 45 2HB LYS 45 5.663 5.467 4.769 332 HG2 LYS 45 1HG LYS 45 6.523 3.170 5.507 333 HG3 LYS 45 2HG LYS 45 5.891 2.592 3.964 334 HD2 LYS 45 1HD LYS 45 7.445 3.740 2.740 335 HD3 LYS 45 2HD LYS 45 7.612 5.017 3.948 336 HE2 LYS 45 1HE LYS 45 8.516 2.268 4.646 337 HE3 LYS 45 2HE LYS 45 9.514 3.228 3.555 338 HZ1 LYS 45 1HZ LYS 45 9.143 5.020 5.418 339 HZ2 LYS 45 2HZ LYS 45 10.370 3.864 5.547 340 HZ3 LYS 45 3HZ LYS 45 8.918 3.653 6.388 341 H ASP 46 H ASP 46 4.642 2.503 7.319 342 HA ASP 46 HA ASP 46 5.259 2.483 9.516 343 HB2 ASP 46 1HB ASP 46 7.324 3.359 8.208 344 HB3 ASP 46 2HB ASP 46 6.932 4.912 8.940 345 H GLY 47 H GLY 47 2.860 3.865 9.054 346 HA2 GLY 47 1HA GLY 47 1.380 5.133 10.279 347 HA3 GLY 47 2HA GLY 47 2.643 5.329 11.486 348 H GLN 48 H GLN 48 3.316 6.250 8.224 349 HA GLN 48 HA GLN 48 2.902 9.079 8.925 350 HB2 GLN 48 1HB GLN 48 5.288 7.893 7.498 351 HB3 GLN 48 2HB GLN 48 4.990 9.614 7.699 352 HG2 GLN 48 1HG GLN 48 5.057 7.906 10.127 353 HG3 GLN 48 2HG GLN 48 6.578 8.281 9.319 354 HE21 GLN 48 1HE2 GLN 48 4.747 9.187 11.786 355 HE22 GLN 48 2HE2 GLN 48 5.099 10.877 11.854 356 H LYS 49 H LYS 49 2.608 10.513 7.116 357 HA LYS 49 HA LYS 49 1.039 9.296 5.029 358 HB2 LYS 49 1HB LYS 49 0.311 11.394 6.051 359 HB3 LYS 49 2HB LYS 49 1.789 12.184 5.520 360 HG2 LYS 49 1HG LYS 49 1.106 11.729 3.169 361 HG3 LYS 49 2HG LYS 49 -0.434 11.130 3.788 362 HD2 LYS 49 1HD LYS 49 0.536 13.842 4.590 363 HD3 LYS 49 2HD LYS 49 -0.212 13.612 3.008 364 HE2 LYS 49 1HE LYS 49 -2.261 13.016 3.926 365 HE3 LYS 49 2HE LYS 49 -1.550 12.586 5.481 366 HZ1 LYS 49 1HZ LYS 49 -2.545 14.591 5.934 367 HZ2 LYS 49 2HZ LYS 49 -2.202 15.248 4.414 368 HZ3 LYS 49 3HZ LYS 49 -0.972 15.092 5.565 369 H VAL 50 H VAL 50 1.700 8.765 3.052 370 HA VAL 50 HA VAL 50 4.446 9.255 2.288 371 HB VAL 50 HB VAL 50 4.095 7.742 0.490 372 HG11 VAL 50 1HG1 VAL 50 2.851 7.001 3.090 373 HG12 VAL 50 2HG1 VAL 50 2.746 5.862 1.746 374 HG13 VAL 50 3HG1 VAL 50 4.323 6.398 2.330 375 HG21 VAL 50 1HG2 VAL 50 2.211 7.899 -0.684 376 HG22 VAL 50 2HG2 VAL 50 1.429 6.942 0.574 377 HG23 VAL 50 3HG2 VAL 50 1.376 8.703 0.644 378 H GLU 51 H GLU 51 5.069 10.173 0.247 379 HA GLU 51 HA GLU 51 3.214 12.280 -0.634 380 HB2 GLU 51 1HB GLU 51 5.223 13.483 -1.413 381 HB3 GLU 51 2HB GLU 51 5.268 13.155 0.313 382 HG2 GLU 51 1HG GLU 51 6.789 11.308 -0.044 383 HG3 GLU 51 2HG GLU 51 6.698 11.544 -1.788 384 H GLU 52 H GLU 52 2.734 12.549 -2.773 385 HA GLU 52 HA GLU 52 3.312 10.288 -4.501 386 HB2 GLU 52 1HB GLU 52 1.423 12.616 -4.636 387 HB3 GLU 52 2HB GLU 52 1.758 11.661 -6.074 388 HG2 GLU 52 1HG GLU 52 0.778 9.753 -5.192 389 HG3 GLU 52 2HG GLU 52 0.900 10.340 -3.534 390 H SER 53 H SER 53 5.086 10.294 -5.700 391 HA SER 53 HA SER 53 5.742 12.623 -7.300 392 HB2 SER 53 1HB SER 53 6.973 12.623 -4.957 393 HB3 SER 53 2HB SER 53 8.028 11.462 -5.762 394 HG SER 53 HG SER 53 8.825 13.012 -6.951 395 H GLU 54 H GLU 54 8.028 11.978 -8.447 396 HA GLU 54 HA GLU 54 7.393 9.918 -10.223 397 HB2 GLU 54 1HB GLU 54 9.643 10.176 -11.096 398 HB3 GLU 54 2HB GLU 54 8.958 11.754 -10.738 399 HG2 GLU 54 1HG GLU 54 10.201 11.733 -8.584 400 HG3 GLU 54 2HG GLU 54 10.983 10.244 -9.108 401 H LEU 55 H LEU 55 8.987 9.851 -7.151 402 HA LEU 55 HA LEU 55 10.044 7.175 -7.555 403 HB2 LEU 55 1HB LEU 55 10.050 8.967 -5.131 404 HB3 LEU 55 2HB LEU 55 10.862 7.407 -5.241 405 HG LEU 55 HG LEU 55 11.526 9.776 -6.984 406 HD11 LEU 55 1HD1 LEU 55 12.677 8.870 -4.362 407 HD12 LEU 55 2HD1 LEU 55 12.092 10.471 -4.812 408 HD13 LEU 55 3HD1 LEU 55 13.590 9.852 -5.508 409 HD21 LEU 55 1HD2 LEU 55 12.049 7.254 -7.563 410 HD22 LEU 55 2HD2 LEU 55 13.368 7.509 -6.421 411 HD23 LEU 55 3HD2 LEU 55 13.232 8.530 -7.854 412 H LEU 56 H LEU 56 7.153 8.595 -6.547 413 HA LEU 56 HA LEU 56 6.259 6.030 -5.430 414 HB2 LEU 56 1HB LEU 56 6.703 8.040 -3.780 415 HB3 LEU 56 2HB LEU 56 5.119 8.560 -4.352 416 HG LEU 56 HG LEU 56 5.413 5.776 -3.337 417 HD11 LEU 56 1HD1 LEU 56 6.528 7.543 -1.767 418 HD12 LEU 56 2HD1 LEU 56 5.436 6.325 -1.108 419 HD13 LEU 56 3HD1 LEU 56 4.857 7.966 -1.393 420 HD21 LEU 56 1HD2 LEU 56 3.153 7.339 -2.452 421 HD22 LEU 56 2HD2 LEU 56 3.191 5.841 -3.382 422 HD23 LEU 56 3HD2 LEU 56 3.324 7.396 -4.207 423 H VAL 57 H VAL 57 4.958 5.311 -7.005 424 HA VAL 57 HA VAL 57 3.077 7.182 -8.263 425 HB VAL 57 HB VAL 57 3.668 4.350 -9.120 426 HG11 VAL 57 1HG1 VAL 57 1.959 6.532 -10.101 427 HG12 VAL 57 2HG1 VAL 57 2.916 5.711 -11.336 428 HG13 VAL 57 3HG1 VAL 57 1.813 4.788 -10.316 429 HG21 VAL 57 1HG2 VAL 57 5.224 6.803 -9.468 430 HG22 VAL 57 2HG2 VAL 57 5.703 5.117 -9.668 431 HG23 VAL 57 3HG2 VAL 57 4.869 5.958 -10.975 432 H VAL 58 H VAL 58 0.917 6.996 -8.032 433 HA VAL 58 HA VAL 58 -0.106 4.689 -6.508 434 HB VAL 58 HB VAL 58 -1.101 7.529 -6.253 435 HG11 VAL 58 1HG1 VAL 58 -1.828 4.963 -4.856 436 HG12 VAL 58 2HG1 VAL 58 -2.284 6.559 -4.258 437 HG13 VAL 58 3HG1 VAL 58 -2.872 6.002 -5.825 438 HG21 VAL 58 1HG2 VAL 58 -0.084 7.503 -4.024 439 HG22 VAL 58 2HG2 VAL 58 0.602 5.913 -4.357 440 HG23 VAL 58 3HG2 VAL 58 1.129 7.312 -5.291 441 H LYS 59 H LYS 59 -1.253 3.529 -7.917 442 HA LYS 59 HA LYS 59 -2.873 4.904 -9.935 443 HB2 LYS 59 1HB LYS 59 -2.109 1.991 -9.664 444 HB3 LYS 59 2HB LYS 59 -3.090 2.655 -10.964 445 HG2 LYS 59 1HG LYS 59 -0.311 3.636 -10.395 446 HG3 LYS 59 2HG LYS 59 -0.634 2.260 -11.452 447 HD2 LYS 59 1HD LYS 59 -1.588 3.558 -13.078 448 HD3 LYS 59 2HD LYS 59 -2.143 4.779 -11.930 449 HE2 LYS 59 1HE LYS 59 0.352 5.310 -11.609 450 HE3 LYS 59 2HE LYS 59 0.596 4.394 -13.096 451 HZ1 LYS 59 1HZ LYS 59 -0.929 6.900 -12.722 452 HZ2 LYS 59 2HZ LYS 59 -1.139 5.926 -14.088 453 HZ3 LYS 59 3HZ LYS 59 0.374 6.609 -13.762 454 H MET 60 H MET 60 -5.054 4.848 -9.948 455 HA MET 60 HA MET 60 -6.368 3.319 -7.798 456 HB2 MET 60 1HB MET 60 -6.652 5.604 -7.277 457 HB3 MET 60 2HB MET 60 -6.979 6.031 -8.951 458 HG2 MET 60 1HG MET 60 -9.092 4.729 -8.802 459 HG3 MET 60 2HG MET 60 -8.773 4.504 -7.083 460 HE1 MET 60 1HE MET 60 -11.587 6.164 -8.311 461 HE2 MET 60 2HE MET 60 -11.082 7.730 -8.944 462 HE3 MET 60 3HE MET 60 -10.448 6.245 -9.655 463 H ASP 61 H ASP 61 -8.449 2.435 -8.240 464 HA ASP 61 HA ASP 61 -9.569 2.502 -10.868 465 HB2 ASP 61 1HB ASP 61 -7.794 0.251 -10.072 466 HB3 ASP 61 2HB ASP 61 -9.276 -0.156 -10.932 467 H GLY 62 H GLY 62 -11.553 1.273 -11.030 468 HA2 GLY 62 1HA GLY 62 -13.318 1.521 -9.005 469 HA3 GLY 62 2HA GLY 62 -13.446 0.234 -10.194 470 H ARG 63 H ARG 63 -12.962 0.992 -6.931 471 HA ARG 63 HA ARG 63 -12.547 -0.243 -5.064 472 HB2 ARG 63 1HB ARG 63 -13.859 -2.168 -6.934 473 HB3 ARG 63 2HB ARG 63 -13.201 -2.777 -5.421 474 HG2 ARG 63 1HG ARG 63 -14.642 -1.404 -4.137 475 HG3 ARG 63 2HG ARG 63 -15.136 -0.482 -5.558 476 HD2 ARG 63 1HD ARG 63 -15.950 -2.788 -6.441 477 HD3 ARG 63 2HD ARG 63 -15.887 -3.261 -4.744 478 HE ARG 63 HE ARG 63 -17.308 -0.851 -4.967 479 HH11 ARG 63 2HH1 ARG 63 -17.609 -4.223 -5.778 480 HH12 ARG 63 1HH1 ARG 63 -19.339 -4.225 -5.687 481 HH21 ARG 63 2HH2 ARG 63 -19.585 -0.840 -4.844 482 HH22 ARG 63 1HH2 ARG 63 -20.462 -2.300 -5.157 483 H LYS 64 H LYS 64 -10.288 0.236 -6.589 484 HA LYS 64 HA LYS 64 -8.611 -1.963 -5.743 485 HB2 LYS 64 1HB LYS 64 -8.762 -1.145 -8.649 486 HB3 LYS 64 2HB LYS 64 -7.505 -2.169 -7.967 487 HG2 LYS 64 1HG LYS 64 -9.414 -3.696 -7.217 488 HG3 LYS 64 2HG LYS 64 -10.417 -2.770 -8.337 489 HD2 LYS 64 1HD LYS 64 -9.723 -4.455 -9.722 490 HD3 LYS 64 2HD LYS 64 -8.433 -3.283 -9.998 491 HE2 LYS 64 1HE LYS 64 -7.070 -4.437 -8.291 492 HE3 LYS 64 2HE LYS 64 -8.348 -5.639 -8.115 493 HZ1 LYS 64 1HZ LYS 64 -7.497 -6.742 -9.815 494 HZ2 LYS 64 2HZ LYS 64 -6.267 -5.594 -9.979 495 HZ3 LYS 64 3HZ LYS 64 -7.715 -5.409 -10.833 496 H HIS 65 H HIS 65 -6.897 -1.098 -4.791 497 HA HIS 65 HA HIS 65 -5.736 1.362 -5.888 498 HB2 HIS 65 1HB HIS 65 -6.476 0.893 -2.996 499 HB3 HIS 65 2HB HIS 65 -5.412 2.190 -3.533 500 HD1 HIS 65 1HD HIS 65 -6.519 4.323 -4.170 501 HD2 HIS 65 2HD HIS 65 -9.177 1.130 -4.138 502 HE1 HIS 65 1HE HIS 65 -8.787 5.332 -4.570 503 HE2 HIS 65 2HE HIS 65 -10.389 3.392 -4.462 504 H ARG 66 H ARG 66 -3.705 0.908 -6.397 505 HA ARG 66 HA ARG 66 -2.124 -0.736 -4.538 506 HB2 ARG 66 1HB ARG 66 -0.903 -1.562 -6.629 507 HB3 ARG 66 2HB ARG 66 -2.504 -2.220 -6.321 508 HG2 ARG 66 1HG ARG 66 -3.480 -0.937 -8.027 509 HG3 ARG 66 2HG ARG 66 -2.072 0.121 -8.146 510 HD2 ARG 66 1HD ARG 66 -1.725 -1.222 -9.966 511 HD3 ARG 66 2HD ARG 66 -0.845 -2.128 -8.737 512 HE ARG 66 HE ARG 66 -2.359 -3.822 -8.966 513 HH11 ARG 66 2HH1 ARG 66 -3.716 -0.911 -10.309 514 HH12 ARG 66 1HH1 ARG 66 -5.114 -1.705 -10.954 515 HH21 ARG 66 2HH2 ARG 66 -4.195 -4.879 -9.810 516 HH22 ARG 66 1HH2 ARG 66 -5.387 -3.962 -10.669 517 H LEU 67 H LEU 67 0.079 -0.222 -4.377 518 HA LEU 67 HA LEU 67 0.770 2.437 -5.437 519 HB2 LEU 67 1HB LEU 67 0.572 1.985 -2.902 520 HB3 LEU 67 2HB LEU 67 2.111 1.147 -3.088 521 HG LEU 67 HG LEU 67 1.616 4.056 -3.721 522 HD11 LEU 67 1HD1 LEU 67 3.194 4.337 -1.744 523 HD12 LEU 67 2HD1 LEU 67 2.810 2.663 -1.345 524 HD13 LEU 67 3HD1 LEU 67 1.530 3.875 -1.385 525 HD21 LEU 67 1HD2 LEU 67 4.295 3.750 -3.497 526 HD22 LEU 67 2HD2 LEU 67 3.417 3.722 -5.026 527 HD23 LEU 67 3HD2 LEU 67 3.846 2.209 -4.227 528 H ILE 68 H ILE 68 2.310 2.508 -6.923 529 HA ILE 68 HA ILE 68 4.073 0.187 -7.250 530 HB ILE 68 HB ILE 68 3.193 2.365 -9.115 531 HG12 ILE 68 1HG1 ILE 68 3.398 -0.578 -9.681 532 HG13 ILE 68 2HG1 ILE 68 2.042 0.059 -8.757 533 HG21 ILE 68 1HG2 ILE 68 5.574 0.553 -9.471 534 HG22 ILE 68 2HG2 ILE 68 4.830 1.492 -10.764 535 HG23 ILE 68 3HG2 ILE 68 5.578 2.315 -9.395 536 HD11 ILE 68 1HD1 ILE 68 2.813 0.800 -11.568 537 HD12 ILE 68 2HD1 ILE 68 1.415 -0.149 -11.060 538 HD13 ILE 68 3HD1 ILE 68 1.518 1.562 -10.644 539 H LEU 69 H LEU 69 6.325 0.458 -7.575 540 HA LEU 69 HA LEU 69 7.455 3.059 -6.849 541 HB2 LEU 69 1HB LEU 69 7.698 0.521 -5.334 542 HB3 LEU 69 2HB LEU 69 9.142 1.522 -5.478 543 HG LEU 69 HG LEU 69 6.533 2.575 -4.409 544 HD11 LEU 69 1HD1 LEU 69 8.427 0.770 -3.163 545 HD12 LEU 69 2HD1 LEU 69 6.838 1.299 -2.612 546 HD13 LEU 69 3HD1 LEU 69 8.262 2.283 -2.273 547 HD21 LEU 69 1HD2 LEU 69 8.877 3.831 -5.194 548 HD22 LEU 69 2HD2 LEU 69 9.005 3.728 -3.438 549 HD23 LEU 69 3HD2 LEU 69 7.607 4.510 -4.177 550 HA PRO 70 HA PRO 70 9.944 1.856 -10.347 551 HB2 PRO 70 1HB PRO 70 11.406 4.142 -10.435 552 HB3 PRO 70 2HB PRO 70 9.749 4.037 -11.043 553 HG2 PRO 70 1HG PRO 70 10.743 5.097 -8.425 554 HG3 PRO 70 2HG PRO 70 9.509 5.768 -9.508 555 HD2 PRO 70 1HD PRO 70 8.883 4.360 -7.281 556 HD3 PRO 70 2HD PRO 70 7.877 4.331 -8.744 557 H GLU 71 H GLU 71 11.288 3.233 -7.368 558 HA GLU 71 HA GLU 71 13.549 1.376 -7.618 559 HB2 GLU 71 1HB GLU 71 14.133 3.776 -8.265 560 HB3 GLU 71 2HB GLU 71 13.878 4.183 -6.574 561 HG2 GLU 71 1HG GLU 71 15.647 2.705 -5.897 562 HG3 GLU 71 2HG GLU 71 15.845 2.127 -7.551 563 H ALA 72 H ALA 72 13.387 0.016 -5.968 564 HA ALA 72 HA ALA 72 12.098 0.816 -3.496 565 HB1 ALA 72 1HB ALA 72 11.728 -1.374 -3.135 566 HB2 ALA 72 2HB ALA 72 12.109 -1.522 -4.851 567 HB3 ALA 72 3HB ALA 72 13.352 -1.841 -3.641 568 H LYS 73 H LYS 73 13.478 2.224 -2.465 569 HA LYS 73 HA LYS 73 16.247 1.466 -2.014 570 HB2 LYS 73 1HB LYS 73 14.657 3.899 -1.187 571 HB3 LYS 73 2HB LYS 73 16.360 3.662 -0.816 572 HG2 LYS 73 1HG LYS 73 16.870 3.595 -3.207 573 HG3 LYS 73 2HG LYS 73 15.162 3.845 -3.573 574 HD2 LYS 73 1HD LYS 73 16.535 5.784 -1.776 575 HD3 LYS 73 2HD LYS 73 16.861 5.862 -3.509 576 HE2 LYS 73 1HE LYS 73 15.069 7.335 -3.170 577 HE3 LYS 73 2HE LYS 73 14.329 5.870 -3.813 578 HZ1 LYS 73 1HZ LYS 73 14.535 6.224 -0.903 579 HZ2 LYS 73 2HZ LYS 73 13.400 5.346 -1.798 580 HZ3 LYS 73 3HZ LYS 73 13.315 7.035 -1.749 581 H VAL 74 H VAL 74 17.178 1.248 0.075 582 HA VAL 74 HA VAL 74 15.908 -0.443 1.825 583 HB VAL 74 HB VAL 74 18.064 1.557 2.519 584 HG11 VAL 74 1HG1 VAL 74 17.263 -0.993 3.918 585 HG12 VAL 74 2HG1 VAL 74 18.613 0.054 4.358 586 HG13 VAL 74 3HG1 VAL 74 16.957 0.642 4.502 587 HG21 VAL 74 1HG2 VAL 74 18.966 -1.145 2.225 588 HG22 VAL 74 2HG2 VAL 74 18.111 -0.643 0.767 589 HG23 VAL 74 3HG2 VAL 74 19.480 0.301 1.355 590 H GLN 75 H GLN 75 15.731 3.036 1.670 591 HA GLN 75 HA GLN 75 14.626 3.459 4.250 592 HB2 GLN 75 1HB GLN 75 14.560 5.120 1.730 593 HB3 GLN 75 2HB GLN 75 13.895 5.664 3.264 594 HG2 GLN 75 1HG GLN 75 16.723 4.734 3.144 595 HG3 GLN 75 2HG GLN 75 16.306 6.340 2.548 596 HE21 GLN 75 1HE2 GLN 75 18.016 6.224 4.581 597 HE22 GLN 75 2HE2 GLN 75 17.269 6.711 6.061 598 H ASP 76 H ASP 76 13.259 2.733 1.102 599 HA ASP 76 HA ASP 76 10.556 3.267 1.780 600 HB2 ASP 76 1HB ASP 76 11.768 1.527 -0.376 601 HB3 ASP 76 2HB ASP 76 10.046 1.877 -0.246 602 H SER 77 H SER 77 12.659 0.860 2.782 603 HA SER 77 HA SER 77 10.898 -1.361 2.928 604 HB2 SER 77 1HB SER 77 13.154 -0.988 4.868 605 HB3 SER 77 2HB SER 77 12.605 -2.459 4.065 606 HG SER 77 HG SER 77 13.334 -0.959 2.114 607 H GLY 78 H GLY 78 9.008 -1.153 3.971 608 HA2 GLY 78 1HA GLY 78 8.964 -0.949 6.804 609 HA3 GLY 78 2HA GLY 78 8.411 0.552 6.077 610 H GLU 79 H GLU 79 6.376 0.100 7.144 611 HA GLU 79 HA GLU 79 4.800 -2.007 5.828 612 HB2 GLU 79 1HB GLU 79 4.897 -2.194 8.263 613 HB3 GLU 79 2HB GLU 79 4.299 -0.549 8.429 614 HG2 GLU 79 1HG GLU 79 2.427 -1.858 8.815 615 HG3 GLU 79 2HG GLU 79 2.250 -1.367 7.132 616 H PHE 80 H PHE 80 3.063 -1.505 4.620 617 HA PHE 80 HA PHE 80 2.431 1.349 4.310 618 HB2 PHE 80 1HB PHE 80 2.205 -0.995 2.431 619 HB3 PHE 80 2HB PHE 80 1.366 0.522 2.124 620 HD1 PHE 80 1HD PHE 80 4.775 -0.743 2.947 621 HD2 PHE 80 2HD PHE 80 2.421 2.118 0.852 622 HE1 PHE 80 1HE PHE 80 6.811 0.165 1.905 623 HE2 PHE 80 2HE PHE 80 4.453 3.030 -0.194 624 HZ PHE 80 HZ PHE 80 6.651 2.053 0.332 625 H GLU 81 H GLU 81 0.229 1.995 4.058 626 HA GLU 81 HA GLU 81 -1.845 0.087 4.762 627 HB2 GLU 81 1HB GLU 81 -1.042 0.820 6.949 628 HB3 GLU 81 2HB GLU 81 -1.246 2.502 6.479 629 HG2 GLU 81 1HG GLU 81 -3.718 1.841 6.098 630 HG3 GLU 81 2HG GLU 81 -3.324 0.454 7.111 631 H CYS 82 H CYS 82 -3.702 0.543 3.751 632 HA CYS 82 HA CYS 82 -3.874 3.088 2.309 633 HB2 CYS 82 1HB CYS 82 -4.063 1.060 0.952 634 HB3 CYS 82 2HB CYS 82 -5.415 0.511 1.936 635 HG CYS 82 HG CYS 82 -5.524 3.399 0.109 636 H ARG 83 H ARG 83 -4.461 4.176 4.337 637 HA ARG 83 HA ARG 83 -6.744 3.603 5.833 638 HB2 ARG 83 1HB ARG 83 -4.969 5.227 6.474 639 HB3 ARG 83 2HB ARG 83 -5.594 6.339 5.263 640 HG2 ARG 83 1HG ARG 83 -7.842 6.000 6.579 641 HG3 ARG 83 2HG ARG 83 -6.745 5.544 7.885 642 HD2 ARG 83 1HD ARG 83 -5.506 7.743 7.227 643 HD3 ARG 83 2HD ARG 83 -7.048 8.167 6.486 644 HE ARG 83 HE ARG 83 -7.399 7.274 9.160 645 HH11 ARG 83 2HH1 ARG 83 -6.371 10.003 7.259 646 HH12 ARG 83 1HH1 ARG 83 -6.783 11.169 8.472 647 HH21 ARG 83 2HH2 ARG 83 -7.946 8.799 10.765 648 HH22 ARG 83 1HH2 ARG 83 -7.678 10.483 10.467 649 H THR 84 H THR 84 -8.871 3.958 5.566 650 HA THR 84 HA THR 84 -9.836 5.803 3.546 651 HB THR 84 HB THR 84 -9.462 3.645 2.326 652 HG1 THR 84 1HG THR 84 -12.239 4.053 2.416 653 HG21 THR 84 1HG2 THR 84 -11.081 2.658 4.561 654 HG22 THR 84 2HG2 THR 84 -9.971 1.794 3.497 655 HG23 THR 84 3HG2 THR 84 -11.627 2.107 2.978 656 H GLU 85 H GLU 85 -12.271 5.886 3.552 657 HA GLU 85 HA GLU 85 -13.187 6.178 6.225 658 HB2 GLU 85 1HB GLU 85 -13.908 7.544 4.214 659 HB3 GLU 85 2HB GLU 85 -14.901 6.171 3.743 660 HG2 GLU 85 1HG GLU 85 -16.333 7.652 4.867 661 HG3 GLU 85 2HG GLU 85 -16.003 6.344 6.002 662 H GLY 86 H GLY 86 -12.804 3.961 6.957 663 HA2 GLY 86 1HA GLY 86 -14.986 2.491 7.517 664 HA3 GLY 86 2HA GLY 86 -14.550 1.888 5.925 665 H VAL 87 H VAL 87 -12.154 1.280 5.729 666 HA VAL 87 HA VAL 87 -11.092 0.177 8.225 667 HB VAL 87 HB VAL 87 -10.649 -1.999 7.168 668 HG11 VAL 87 1HG1 VAL 87 -13.071 -1.054 8.164 669 HG12 VAL 87 2HG1 VAL 87 -13.503 -1.994 6.734 670 HG13 VAL 87 3HG1 VAL 87 -12.563 -2.737 8.029 671 HG21 VAL 87 1HG2 VAL 87 -11.359 -2.595 5.044 672 HG22 VAL 87 2HG2 VAL 87 -12.537 -1.285 4.958 673 HG23 VAL 87 3HG2 VAL 87 -10.816 -0.933 4.810 674 H SER 88 H SER 88 -8.926 -1.097 7.504 675 HA SER 88 HA SER 88 -7.484 0.371 5.449 676 HB2 SER 88 1HB SER 88 -6.173 0.272 8.135 677 HB3 SER 88 2HB SER 88 -5.925 1.407 6.808 678 HG SER 88 HG SER 88 -7.825 1.422 8.837 679 H ALA 89 H ALA 89 -5.655 -0.689 4.693 680 HA ALA 89 HA ALA 89 -5.420 -3.480 5.573 681 HB1 ALA 89 1HB ALA 89 -4.926 -2.090 2.978 682 HB2 ALA 89 2HB ALA 89 -4.097 -3.607 3.329 683 HB3 ALA 89 3HB ALA 89 -5.860 -3.548 3.313 684 H PHE 90 H PHE 90 -3.198 -4.439 5.398 685 HA PHE 90 HA PHE 90 -1.078 -2.516 6.043 686 HB2 PHE 90 1HB PHE 90 -2.045 -4.792 7.735 687 HB3 PHE 90 2HB PHE 90 -0.347 -4.331 7.788 688 HD1 PHE 90 1HD PHE 90 -3.779 -2.982 8.204 689 HD2 PHE 90 2HD PHE 90 0.355 -2.563 9.125 690 HE1 PHE 90 1HE PHE 90 -4.321 -1.196 9.806 691 HE2 PHE 90 2HE PHE 90 -0.180 -0.777 10.730 692 HZ PHE 90 HZ PHE 90 -2.521 -0.091 11.073 693 H PHE 91 H PHE 91 0.639 -2.858 4.812 694 HA PHE 91 HA PHE 91 1.161 -5.593 3.850 695 HB2 PHE 91 1HB PHE 91 1.635 -3.018 2.335 696 HB3 PHE 91 2HB PHE 91 1.997 -4.639 1.754 697 HD1 PHE 91 1HD PHE 91 0.224 -6.137 1.056 698 HD2 PHE 91 2HD PHE 91 -0.627 -2.193 2.413 699 HE1 PHE 91 1HE PHE 91 -2.042 -6.304 0.112 700 HE2 PHE 91 2HE PHE 91 -2.894 -2.355 1.471 701 HZ PHE 91 HZ PHE 91 -3.605 -4.412 0.320 702 H GLY 92 H GLY 92 2.985 -6.368 4.666 703 HA2 GLY 92 1HA GLY 92 5.001 -4.546 5.713 704 HA3 GLY 92 2HA GLY 92 4.958 -6.290 5.927 705 H VAL 93 H VAL 93 6.301 -3.703 4.186 706 HA VAL 93 HA VAL 93 7.398 -5.497 2.135 707 HB VAL 93 HB VAL 93 7.391 -2.479 2.274 708 HG11 VAL 93 1HG1 VAL 93 8.990 -4.326 0.720 709 HG12 VAL 93 2HG1 VAL 93 8.028 -3.262 -0.309 710 HG13 VAL 93 3HG1 VAL 93 9.130 -2.576 0.886 711 HG21 VAL 93 1HG2 VAL 93 5.201 -3.332 1.779 712 HG22 VAL 93 2HG2 VAL 93 5.900 -2.688 0.294 713 HG23 VAL 93 3HG2 VAL 93 5.855 -4.430 0.563 714 H THR 94 H THR 94 9.583 -5.783 1.868 715 HA THR 94 HA THR 94 11.399 -4.423 3.723 716 HB THR 94 HB THR 94 11.102 -7.413 3.459 717 HG1 THR 94 1HG THR 94 9.884 -6.366 5.103 718 HG21 THR 94 1HG2 THR 94 13.345 -7.525 3.541 719 HG22 THR 94 2HG2 THR 94 13.165 -7.021 5.222 720 HG23 THR 94 3HG2 THR 94 13.505 -5.823 3.973 721 H VAL 95 H VAL 95 13.025 -3.593 2.603 722 HA VAL 95 HA VAL 95 13.754 -4.824 0.034 723 HB VAL 95 HB VAL 95 14.541 -2.070 0.975 724 HG11 VAL 95 1HG1 VAL 95 15.852 -2.283 -0.831 725 HG12 VAL 95 2HG1 VAL 95 14.947 -3.668 -1.444 726 HG13 VAL 95 3HG1 VAL 95 14.367 -2.030 -1.748 727 HG21 VAL 95 1HG2 VAL 95 11.995 -2.601 0.796 728 HG22 VAL 95 2HG2 VAL 95 12.638 -1.129 0.068 729 HG23 VAL 95 3HG2 VAL 95 12.295 -2.534 -0.941 730 H GLN 96 H GLN 96 15.300 -6.307 0.452 731 HA GLN 96 HA GLN 96 17.500 -5.611 2.250 732 HB2 GLN 96 1HB GLN 96 16.787 -8.235 0.929 733 HB3 GLN 96 2HB GLN 96 18.128 -7.997 2.041 734 HG2 GLN 96 1HG GLN 96 16.624 -7.490 3.838 735 HG3 GLN 96 2HG GLN 96 15.242 -7.522 2.744 736 HE21 GLN 96 1HE2 GLN 96 14.782 -9.584 1.682 737 HE22 GLN 96 2HE2 GLN 96 15.094 -11.048 2.544 738 H ASP 97 H ASP 97 19.285 -4.761 1.436 739 HA ASP 97 HA ASP 97 19.815 -4.402 -1.271 740 HB2 ASP 97 1HB ASP 97 22.059 -3.726 -0.592 741 HB3 ASP 97 2HB ASP 97 20.865 -3.079 0.529 742 HA PRO 98 HA PRO 98 21.187 -8.402 -2.555 743 HB2 PRO 98 1HB PRO 98 22.271 -7.656 -4.930 744 HB3 PRO 98 2HB PRO 98 20.528 -7.771 -4.664 745 HG2 PRO 98 1HG PRO 98 22.294 -5.354 -4.635 746 HG3 PRO 98 2HG PRO 98 20.687 -5.557 -5.358 747 HD2 PRO 98 1HD PRO 98 21.067 -4.327 -2.976 748 HD3 PRO 98 2HD PRO 98 19.605 -5.264 -3.344 749 H SER 99 H SER 99 23.197 -9.484 -3.258 750 HA SER 99 HA SER 99 25.486 -8.339 -1.858 751 HB2 SER 99 1HB SER 99 24.666 -10.729 -1.488 752 HB3 SER 99 2HB SER 99 25.319 -11.093 -3.085 753 HG SER 99 HG SER 99 27.341 -10.152 -2.204 754 H GLY 100 H GLY 100 26.030 -6.743 -3.427 755 HA2 GLY 100 1HA GLY 100 26.447 -7.056 -6.122 756 HA3 GLY 100 2HA GLY 100 27.403 -5.983 -5.109 757 HA PRO 101 HA PRO 101 29.752 -9.906 -6.653 758 HB2 PRO 101 1HB PRO 101 30.618 -9.106 -9.099 759 HB3 PRO 101 2HB PRO 101 29.114 -10.004 -8.858 760 HG2 PRO 101 1HG PRO 101 29.523 -7.064 -9.243 761 HG3 PRO 101 2HG PRO 101 28.293 -8.125 -9.954 762 HD2 PRO 101 1HD PRO 101 27.782 -6.514 -7.839 763 HD3 PRO 101 2HD PRO 101 26.982 -8.083 -8.059 764 H SER 102 H SER 102 31.752 -9.915 -5.853 765 HA SER 102 HA SER 102 33.275 -7.401 -5.850 766 HB2 SER 102 1HB SER 102 33.119 -9.726 -3.985 767 HB3 SER 102 2HB SER 102 34.648 -8.854 -4.094 768 HG SER 102 HG SER 102 32.122 -7.913 -3.271 769 H SER 103 H SER 103 34.217 -7.537 -7.881 770 HA SER 103 HA SER 103 35.760 -9.897 -8.584 771 HB2 SER 103 1HB SER 103 36.082 -8.845 -10.731 772 HB3 SER 103 2HB SER 103 34.389 -8.651 -10.277 773 HG SER 103 HG SER 103 35.151 -6.685 -11.010 774 H GLY 104 H GLY 104 37.928 -10.084 -8.489 775 HA2 GLY 104 1HA GLY 104 39.497 -7.677 -7.830 776 HA3 GLY 104 2HA GLY 104 39.664 -9.134 -6.861 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -34.717 10.569 6.257 2 HA2 GLY 1 1HA GLY 1 -32.141 10.921 4.871 3 HA3 GLY 1 2HA GLY 1 -32.344 11.521 6.510 4 H SER 2 H SER 2 -31.273 8.970 4.680 5 HA SER 2 HA SER 2 -31.784 6.961 6.745 6 HB2 SER 2 1HB SER 2 -30.895 6.845 3.885 7 HB3 SER 2 2HB SER 2 -30.523 5.500 4.963 8 HG SER 2 HG SER 2 -32.878 5.618 5.479 9 H SER 3 H SER 3 -30.136 5.858 7.808 10 HA SER 3 HA SER 3 -27.745 7.398 8.242 11 HB2 SER 3 1HB SER 3 -28.671 6.408 10.190 12 HB3 SER 3 2HB SER 3 -28.803 4.828 9.417 13 HG SER 3 HG SER 3 -26.872 4.428 10.105 14 H GLY 4 H GLY 4 -28.525 4.224 6.866 15 HA2 GLY 4 1HA GLY 4 -27.286 3.490 4.908 16 HA3 GLY 4 2HA GLY 4 -25.856 4.235 5.607 17 H SER 5 H SER 5 -26.435 1.448 4.695 18 HA SER 5 HA SER 5 -26.703 -0.324 6.821 19 HB2 SER 5 1HB SER 5 -25.227 -0.563 4.199 20 HB3 SER 5 2HB SER 5 -25.357 -1.906 5.335 21 HG SER 5 HG SER 5 -27.029 -2.006 3.822 22 H SER 6 H SER 6 -25.193 -1.486 8.067 23 HA SER 6 HA SER 6 -23.131 0.025 9.193 24 HB2 SER 6 1HB SER 6 -22.560 -1.946 10.451 25 HB3 SER 6 2HB SER 6 -24.315 -1.914 10.275 26 HG SER 6 HG SER 6 -23.711 -3.265 8.269 27 H GLY 7 H GLY 7 -21.343 0.665 8.185 28 HA2 GLY 7 1HA GLY 7 -19.180 0.287 7.346 29 HA3 GLY 7 2HA GLY 7 -19.660 -1.345 6.905 30 HA PRO 8 HA PRO 8 -20.976 1.869 3.475 31 HB2 PRO 8 1HB PRO 8 -19.141 3.849 3.191 32 HB3 PRO 8 2HB PRO 8 -20.569 4.004 4.220 33 HG2 PRO 8 1HG PRO 8 -17.750 3.341 4.980 34 HG3 PRO 8 2HG PRO 8 -18.898 4.431 5.780 35 HD2 PRO 8 1HD PRO 8 -18.410 1.921 6.670 36 HD3 PRO 8 2HD PRO 8 -19.995 2.703 6.838 37 H VAL 9 H VAL 9 -17.484 1.563 4.137 38 HA VAL 9 HA VAL 9 -17.196 0.181 1.558 39 HB VAL 9 HB VAL 9 -16.395 2.422 1.161 40 HG11 VAL 9 1HG1 VAL 9 -14.118 2.588 2.846 41 HG12 VAL 9 2HG1 VAL 9 -15.523 3.655 2.787 42 HG13 VAL 9 3HG1 VAL 9 -15.523 2.253 3.858 43 HG21 VAL 9 1HG2 VAL 9 -14.538 0.141 1.239 44 HG22 VAL 9 2HG2 VAL 9 -14.998 1.185 -0.105 45 HG23 VAL 9 3HG2 VAL 9 -13.785 1.725 1.055 46 H HIS 10 H HIS 10 -16.558 -1.816 2.014 47 HA HIS 10 HA HIS 10 -14.652 -2.216 4.226 48 HB2 HIS 10 1HB HIS 10 -15.534 -4.480 4.441 49 HB3 HIS 10 2HB HIS 10 -16.839 -3.305 4.575 50 HD1 HIS 10 1HD HIS 10 -18.479 -3.135 2.522 51 HD2 HIS 10 2HD HIS 10 -15.761 -6.273 2.354 52 HE1 HIS 10 1HE HIS 10 -19.347 -4.681 0.739 53 HE2 HIS 10 2HE HIS 10 -17.732 -6.614 0.714 54 H ILE 11 H ILE 11 -12.825 -3.431 3.894 55 HA ILE 11 HA ILE 11 -11.931 -3.651 1.165 56 HB ILE 11 HB ILE 11 -10.620 -4.218 3.813 57 HG12 ILE 11 1HG1 ILE 11 -9.753 -2.322 1.637 58 HG13 ILE 11 2HG1 ILE 11 -10.943 -1.858 2.847 59 HG21 ILE 11 1HG2 ILE 11 -9.591 -4.809 1.050 60 HG22 ILE 11 2HG2 ILE 11 -8.531 -4.605 2.443 61 HG23 ILE 11 3HG2 ILE 11 -9.721 -5.905 2.425 62 HD11 ILE 11 1HD1 ILE 11 -9.233 -1.200 4.091 63 HD12 ILE 11 2HD1 ILE 11 -8.856 -2.908 4.325 64 HD13 ILE 11 3HD1 ILE 11 -8.066 -1.999 3.037 65 H LEU 12 H LEU 12 -11.612 -5.468 -0.023 66 HA LEU 12 HA LEU 12 -12.765 -7.939 1.046 67 HB2 LEU 12 1HB LEU 12 -11.949 -7.697 -1.796 68 HB3 LEU 12 2HB LEU 12 -13.331 -8.527 -1.085 69 HG LEU 12 HG LEU 12 -13.070 -5.556 -1.541 70 HD11 LEU 12 1HD1 LEU 12 -13.982 -7.723 -3.192 71 HD12 LEU 12 2HD1 LEU 12 -13.825 -6.009 -3.576 72 HD13 LEU 12 3HD1 LEU 12 -15.308 -6.616 -2.840 73 HD21 LEU 12 1HD2 LEU 12 -15.321 -5.370 -0.724 74 HD22 LEU 12 2HD2 LEU 12 -14.335 -6.154 0.510 75 HD23 LEU 12 3HD2 LEU 12 -15.426 -7.114 -0.489 76 H SER 13 H SER 13 -9.803 -6.591 -0.226 77 HA SER 13 HA SER 13 -8.283 -8.779 0.857 78 HB2 SER 13 1HB SER 13 -8.686 -8.487 -2.094 79 HB3 SER 13 2HB SER 13 -7.118 -9.030 -1.498 80 HG SER 13 HG SER 13 -9.419 -10.253 -0.486 81 HA PRO 14 HA PRO 14 -6.166 -9.487 0.752 82 HB2 PRO 14 1HB PRO 14 -4.475 -9.168 2.851 83 HB3 PRO 14 2HB PRO 14 -3.937 -9.116 1.168 84 HG2 PRO 14 1HG PRO 14 -4.529 -6.855 3.038 85 HG3 PRO 14 2HG PRO 14 -3.183 -7.041 1.899 86 HD2 PRO 14 1HD PRO 14 -5.353 -5.516 1.354 87 HD3 PRO 14 2HD PRO 14 -4.457 -6.387 0.093 88 H GLN 15 H GLN 15 -6.423 -10.764 2.814 89 HA GLN 15 HA GLN 15 -8.706 -9.710 4.275 90 HB2 GLN 15 1HB GLN 15 -7.434 -12.449 4.218 91 HB3 GLN 15 2HB GLN 15 -8.836 -12.036 5.196 92 HG2 GLN 15 1HG GLN 15 -10.137 -11.575 3.230 93 HG3 GLN 15 2HG GLN 15 -8.727 -11.810 2.199 94 HE21 GLN 15 1HE2 GLN 15 -11.437 -13.175 2.578 95 HE22 GLN 15 2HE2 GLN 15 -11.038 -14.855 2.631 96 H ASP 16 H ASP 16 -5.353 -10.491 4.780 97 HA ASP 16 HA ASP 16 -5.469 -9.245 7.405 98 HB2 ASP 16 1HB ASP 16 -4.373 -12.037 7.003 99 HB3 ASP 16 2HB ASP 16 -4.220 -11.089 8.479 100 H LYS 17 H LYS 17 -3.246 -8.907 8.304 101 HA LYS 17 HA LYS 17 -1.638 -7.453 6.672 102 HB2 LYS 17 1HB LYS 17 -1.472 -7.721 9.189 103 HB3 LYS 17 2HB LYS 17 -0.525 -9.172 8.890 104 HG2 LYS 17 1HG LYS 17 0.269 -6.551 7.685 105 HG3 LYS 17 2HG LYS 17 0.700 -6.958 9.348 106 HD2 LYS 17 1HD LYS 17 1.569 -9.175 8.280 107 HD3 LYS 17 2HD LYS 17 1.583 -8.230 6.789 108 HE2 LYS 17 1HE LYS 17 3.713 -7.860 7.566 109 HE3 LYS 17 2HE LYS 17 2.857 -6.484 8.261 110 HZ1 LYS 17 1HZ LYS 17 3.333 -7.183 10.296 111 HZ2 LYS 17 2HZ LYS 17 4.349 -8.353 9.617 112 HZ3 LYS 17 3HZ LYS 17 2.744 -8.739 9.986 113 H VAL 18 H VAL 18 -0.247 -7.814 5.064 114 HA VAL 18 HA VAL 18 0.536 -10.601 4.520 115 HB VAL 18 HB VAL 18 0.756 -10.010 2.188 116 HG11 VAL 18 1HG1 VAL 18 -1.858 -8.904 3.203 117 HG12 VAL 18 2HG1 VAL 18 -1.546 -9.651 1.635 118 HG13 VAL 18 3HG1 VAL 18 -1.482 -10.624 3.105 119 HG21 VAL 18 1HG2 VAL 18 1.465 -7.612 2.759 120 HG22 VAL 18 2HG2 VAL 18 0.501 -7.861 1.304 121 HG23 VAL 18 3HG2 VAL 18 -0.261 -7.248 2.772 122 H SER 19 H SER 19 2.660 -11.010 3.721 123 HA SER 19 HA SER 19 4.614 -8.934 4.469 124 HB2 SER 19 1HB SER 19 6.121 -10.671 5.212 125 HB3 SER 19 2HB SER 19 4.563 -10.914 6.002 126 HG SER 19 HG SER 19 5.600 -12.318 3.766 127 H LEU 20 H LEU 20 6.191 -8.435 3.043 128 HA LEU 20 HA LEU 20 6.550 -10.132 0.681 129 HB2 LEU 20 1HB LEU 20 6.387 -7.152 0.409 130 HB3 LEU 20 2HB LEU 20 6.294 -8.383 -0.849 131 HG LEU 20 HG LEU 20 4.139 -8.261 1.209 132 HD11 LEU 20 1HD1 LEU 20 3.079 -6.737 -0.739 133 HD12 LEU 20 2HD1 LEU 20 4.750 -6.175 -0.778 134 HD13 LEU 20 3HD1 LEU 20 3.825 -6.085 0.720 135 HD21 LEU 20 1HD2 LEU 20 4.381 -9.087 -1.669 136 HD22 LEU 20 2HD2 LEU 20 2.820 -8.875 -0.877 137 HD23 LEU 20 3HD2 LEU 20 3.961 -10.077 -0.272 138 H THR 21 H THR 21 8.545 -9.730 -0.472 139 HA THR 21 HA THR 21 10.552 -8.148 0.947 140 HB THR 21 HB THR 21 11.166 -10.997 0.178 141 HG1 THR 21 1HG THR 21 9.519 -10.860 1.857 142 HG21 THR 21 1HG2 THR 21 12.719 -8.787 1.038 143 HG22 THR 21 2HG2 THR 21 13.246 -10.446 0.750 144 HG23 THR 21 3HG2 THR 21 12.693 -9.961 2.353 145 H PHE 22 H PHE 22 12.048 -7.241 -0.369 146 HA PHE 22 HA PHE 22 12.340 -8.227 -3.103 147 HB2 PHE 22 1HB PHE 22 11.699 -5.336 -2.481 148 HB3 PHE 22 2HB PHE 22 12.000 -6.019 -4.076 149 HD1 PHE 22 1HD PHE 22 9.611 -5.726 -1.328 150 HD2 PHE 22 2HD PHE 22 10.329 -7.360 -5.192 151 HE1 PHE 22 1HE PHE 22 7.209 -6.202 -1.570 152 HE2 PHE 22 2HE PHE 22 7.929 -7.838 -5.440 153 HZ PHE 22 HZ PHE 22 6.365 -7.258 -3.629 154 H THR 23 H THR 23 14.020 -6.635 -4.245 155 HA THR 23 HA THR 23 16.250 -6.309 -2.345 156 HB THR 23 HB THR 23 16.435 -6.962 -5.292 157 HG1 THR 23 1HG THR 23 17.357 -8.975 -4.203 158 HG21 THR 23 1HG2 THR 23 18.823 -7.418 -4.728 159 HG22 THR 23 2HG2 THR 23 18.531 -6.724 -3.133 160 HG23 THR 23 3HG2 THR 23 18.367 -5.722 -4.575 161 H THR 24 H THR 24 17.480 -4.468 -2.422 162 HA THR 24 HA THR 24 16.369 -2.063 -3.100 163 HB THR 24 HB THR 24 19.329 -2.687 -3.110 164 HG1 THR 24 1HG THR 24 17.439 -2.270 -1.084 165 HG21 THR 24 1HG2 THR 24 19.702 -0.519 -3.474 166 HG22 THR 24 2HG2 THR 24 18.615 -0.070 -2.160 167 HG23 THR 24 3HG2 THR 24 17.978 -0.318 -3.786 168 H SER 25 H SER 25 16.308 -0.733 -4.856 169 HA SER 25 HA SER 25 16.505 -0.016 -7.014 170 HB2 SER 25 1HB SER 25 18.952 -0.672 -6.674 171 HB3 SER 25 2HB SER 25 18.552 -2.182 -7.492 172 HG SER 25 HG SER 25 18.877 -1.095 -9.253 173 H GLU 26 H GLU 26 14.476 -1.737 -6.345 174 HA GLU 26 HA GLU 26 14.120 -3.213 -8.859 175 HB2 GLU 26 1HB GLU 26 13.498 -4.219 -6.081 176 HB3 GLU 26 2HB GLU 26 12.864 -4.960 -7.543 177 HG2 GLU 26 1HG GLU 26 15.799 -4.573 -7.332 178 HG3 GLU 26 2HG GLU 26 15.049 -5.843 -6.366 179 H ARG 27 H ARG 27 11.701 -3.898 -9.033 180 HA ARG 27 HA ARG 27 10.132 -1.480 -8.520 181 HB2 ARG 27 1HB ARG 27 10.327 -2.370 -10.850 182 HB3 ARG 27 2HB ARG 27 9.468 -3.811 -10.324 183 HG2 ARG 27 1HG ARG 27 7.701 -2.009 -9.517 184 HG3 ARG 27 2HG ARG 27 8.462 -1.067 -10.800 185 HD2 ARG 27 1HD ARG 27 8.118 -3.161 -12.253 186 HD3 ARG 27 2HD ARG 27 6.996 -3.676 -10.994 187 HE ARG 27 HE ARG 27 6.482 -1.021 -11.947 188 HH11 ARG 27 2HH1 ARG 27 5.937 -4.409 -12.531 189 HH12 ARG 27 1HH1 ARG 27 4.475 -4.154 -13.424 190 HH21 ARG 27 2HH2 ARG 27 4.559 -0.671 -13.121 191 HH22 ARG 27 1HH2 ARG 27 3.692 -2.027 -13.760 192 H VAL 28 H VAL 28 8.704 -1.449 -6.925 193 HA VAL 28 HA VAL 28 7.593 -4.011 -5.978 194 HB VAL 28 HB VAL 28 8.244 -1.529 -4.388 195 HG11 VAL 28 1HG1 VAL 28 6.670 -2.102 -2.932 196 HG12 VAL 28 2HG1 VAL 28 6.213 -3.480 -3.934 197 HG13 VAL 28 3HG1 VAL 28 7.465 -3.659 -2.704 198 HG21 VAL 28 1HG2 VAL 28 10.189 -2.866 -4.774 199 HG22 VAL 28 2HG2 VAL 28 9.671 -3.134 -3.110 200 HG23 VAL 28 3HG2 VAL 28 9.324 -4.343 -4.346 201 H VAL 29 H VAL 29 5.519 -4.215 -6.475 202 HA VAL 29 HA VAL 29 3.803 -1.821 -6.367 203 HB VAL 29 HB VAL 29 3.827 -2.200 -8.646 204 HG11 VAL 29 1HG1 VAL 29 5.034 -4.022 -9.195 205 HG12 VAL 29 2HG1 VAL 29 4.378 -4.986 -7.871 206 HG13 VAL 29 3HG1 VAL 29 3.449 -4.777 -9.356 207 HG21 VAL 29 1HG2 VAL 29 1.523 -2.281 -7.710 208 HG22 VAL 29 2HG2 VAL 29 1.690 -3.113 -9.256 209 HG23 VAL 29 3HG2 VAL 29 1.611 -4.042 -7.759 210 H LEU 30 H LEU 30 2.362 -1.998 -4.793 211 HA LEU 30 HA LEU 30 1.697 -4.581 -3.671 212 HB2 LEU 30 1HB LEU 30 0.676 -1.841 -2.937 213 HB3 LEU 30 2HB LEU 30 0.472 -3.318 -1.997 214 HG LEU 30 HG LEU 30 3.162 -2.097 -2.586 215 HD11 LEU 30 1HD1 LEU 30 1.161 -1.475 -0.475 216 HD12 LEU 30 2HD1 LEU 30 2.298 -0.413 -1.306 217 HD13 LEU 30 3HD1 LEU 30 2.871 -1.499 -0.040 218 HD21 LEU 30 1HD2 LEU 30 3.981 -3.890 -1.569 219 HD22 LEU 30 2HD2 LEU 30 2.355 -4.571 -1.514 220 HD23 LEU 30 3HD2 LEU 30 2.954 -3.605 -0.164 221 H THR 31 H THR 31 -0.841 -4.490 -2.898 222 HA THR 31 HA THR 31 -2.589 -3.740 -5.078 223 HB THR 31 HB THR 31 -2.314 -6.661 -4.343 224 HG1 THR 31 1HG THR 31 -0.925 -6.750 -5.928 225 HG21 THR 31 1HG2 THR 31 -4.604 -5.703 -5.010 226 HG22 THR 31 2HG2 THR 31 -4.015 -7.113 -5.892 227 HG23 THR 31 3HG2 THR 31 -3.904 -5.509 -6.616 228 H CYS 32 H CYS 32 -4.753 -3.661 -4.492 229 HA CYS 32 HA CYS 32 -5.655 -4.740 -1.979 230 HB2 CYS 32 1HB CYS 32 -4.557 -2.734 -1.162 231 HB3 CYS 32 2HB CYS 32 -5.409 -1.748 -2.345 232 HG CYS 32 HG CYS 32 -6.805 -3.356 0.334 233 H GLU 33 H GLU 33 -7.926 -4.628 -1.718 234 HA GLU 33 HA GLU 33 -9.399 -3.665 -4.077 235 HB2 GLU 33 1HB GLU 33 -9.070 -6.174 -4.036 236 HB3 GLU 33 2HB GLU 33 -10.062 -6.203 -2.584 237 HG2 GLU 33 1HG GLU 33 -11.951 -5.344 -3.790 238 HG3 GLU 33 2HG GLU 33 -10.972 -5.117 -5.238 239 H LEU 34 H LEU 34 -11.462 -2.855 -3.714 240 HA LEU 34 HA LEU 34 -12.225 -2.525 -0.887 241 HB2 LEU 34 1HB LEU 34 -12.569 -0.495 -3.088 242 HB3 LEU 34 2HB LEU 34 -13.025 -0.294 -1.398 243 HG LEU 34 HG LEU 34 -10.213 -0.537 -2.466 244 HD11 LEU 34 1HD1 LEU 34 -11.951 1.670 -2.332 245 HD12 LEU 34 2HD1 LEU 34 -10.224 1.666 -2.690 246 HD13 LEU 34 3HD1 LEU 34 -10.779 1.867 -1.028 247 HD21 LEU 34 1HD2 LEU 34 -11.286 -0.241 0.332 248 HD22 LEU 34 2HD2 LEU 34 -9.613 0.098 -0.112 249 HD23 LEU 34 3HD2 LEU 34 -10.265 -1.530 -0.305 250 H SER 35 H SER 35 -14.626 -1.438 -1.006 251 HA SER 35 HA SER 35 -16.209 -3.326 -2.623 252 HB2 SER 35 1HB SER 35 -17.781 -3.496 -0.887 253 HB3 SER 35 2HB SER 35 -16.235 -3.478 -0.038 254 HG SER 35 HG SER 35 -16.763 -1.018 -0.121 255 H ARG 36 H ARG 36 -15.275 -0.233 -2.617 256 HA ARG 36 HA ARG 36 -17.772 0.658 -3.882 257 HB2 ARG 36 1HB ARG 36 -16.079 2.305 -1.993 258 HB3 ARG 36 2HB ARG 36 -17.459 2.902 -2.905 259 HG2 ARG 36 1HG ARG 36 -18.681 0.911 -1.668 260 HG3 ARG 36 2HG ARG 36 -17.375 1.161 -0.507 261 HD2 ARG 36 1HD ARG 36 -19.452 2.457 -0.019 262 HD3 ARG 36 2HD ARG 36 -18.000 3.443 -0.188 263 HE ARG 36 HE ARG 36 -19.425 3.213 -2.646 264 HH11 ARG 36 2HH1 ARG 36 -19.365 4.876 0.412 265 HH12 ARG 36 1HH1 ARG 36 -20.190 6.277 -0.186 266 HH21 ARG 36 2HH2 ARG 36 -20.511 5.053 -3.445 267 HH22 ARG 36 1HH2 ARG 36 -20.842 6.377 -2.380 268 H VAL 37 H VAL 37 -17.489 1.523 -5.839 269 HA VAL 37 HA VAL 37 -14.848 1.677 -6.956 270 HB VAL 37 HB VAL 37 -17.378 2.637 -8.279 271 HG11 VAL 37 1HG1 VAL 37 -16.213 2.639 -10.211 272 HG12 VAL 37 2HG1 VAL 37 -14.825 2.800 -9.134 273 HG13 VAL 37 3HG1 VAL 37 -15.271 1.215 -9.768 274 HG21 VAL 37 1HG2 VAL 37 -17.725 0.376 -7.344 275 HG22 VAL 37 2HG2 VAL 37 -17.745 0.396 -9.107 276 HG23 VAL 37 3HG2 VAL 37 -16.319 -0.188 -8.248 277 H ASP 38 H ASP 38 -13.730 3.476 -7.633 278 HA ASP 38 HA ASP 38 -12.958 5.615 -7.530 279 HB2 ASP 38 1HB ASP 38 -15.912 6.224 -7.774 280 HB3 ASP 38 2HB ASP 38 -14.623 7.408 -7.977 281 H PHE 39 H PHE 39 -13.110 4.411 -5.077 282 HA PHE 39 HA PHE 39 -14.284 6.386 -3.262 283 HB2 PHE 39 1HB PHE 39 -14.513 3.780 -3.054 284 HB3 PHE 39 2HB PHE 39 -12.914 3.892 -2.327 285 HD1 PHE 39 2HD PHE 39 -16.316 5.383 -2.066 286 HD2 PHE 39 1HD PHE 39 -12.731 4.266 -0.062 287 HE1 PHE 39 2HE PHE 39 -17.344 5.969 0.091 288 HE2 PHE 39 1HE PHE 39 -13.753 4.849 2.099 289 HZ PHE 39 HZ PHE 39 -16.062 5.703 2.178 290 HA PRO 40 HA PRO 40 -10.379 8.287 -2.513 291 HB2 PRO 40 1HB PRO 40 -10.955 9.463 -0.135 292 HB3 PRO 40 2HB PRO 40 -11.579 10.059 -1.678 293 HG2 PRO 40 1HG PRO 40 -12.926 8.348 0.377 294 HG3 PRO 40 2HG PRO 40 -13.576 9.723 -0.535 295 HD2 PRO 40 1HD PRO 40 -14.095 7.152 -1.209 296 HD3 PRO 40 2HD PRO 40 -13.976 8.449 -2.414 297 H ALA 41 H ALA 41 -8.497 7.838 -1.462 298 HA ALA 41 HA ALA 41 -8.438 6.489 1.075 299 HB1 ALA 41 1HB ALA 41 -7.232 4.955 -1.203 300 HB2 ALA 41 2HB ALA 41 -7.581 4.412 0.439 301 HB3 ALA 41 3HB ALA 41 -8.901 4.695 -0.695 302 H THR 42 H THR 42 -6.305 6.311 1.947 303 HA THR 42 HA THR 42 -4.222 7.752 0.455 304 HB THR 42 HB THR 42 -4.882 8.235 3.367 305 HG1 THR 42 1HG THR 42 -5.658 10.208 2.665 306 HG21 THR 42 1HG2 THR 42 -2.624 9.016 1.607 307 HG22 THR 42 2HG2 THR 42 -2.651 8.702 3.342 308 HG23 THR 42 3HG2 THR 42 -3.245 10.239 2.715 309 H TRP 43 H TRP 43 -2.232 6.883 0.589 310 HA TRP 43 HA TRP 43 -1.942 4.411 2.092 311 HB2 TRP 43 1HB TRP 43 -0.212 5.765 0.020 312 HB3 TRP 43 2HB TRP 43 0.262 4.287 0.852 313 HD1 TRP 43 HD TRP 43 -2.261 5.590 -1.727 314 HE1 TRP 43 1HE TRP 43 -3.219 3.582 -3.019 315 HE3 TRP 43 3HE TRP 43 -0.187 1.802 1.008 316 HZ2 TRP 43 2HZ TRP 43 -3.111 0.764 -2.895 317 HZ3 TRP 43 3HZ TRP 43 -0.665 -0.522 0.356 318 HH2 TRP 43 HH TRP 43 -2.097 -1.028 -1.555 319 H TYR 44 H TYR 44 -0.439 4.040 3.691 320 HA TYR 44 HA TYR 44 1.166 6.323 4.601 321 HB2 TYR 44 1HB TYR 44 -0.709 4.669 6.296 322 HB3 TYR 44 2HB TYR 44 0.548 5.700 6.971 323 HD1 TYR 44 1HD TYR 44 -2.673 5.634 5.220 324 HD2 TYR 44 2HD TYR 44 0.337 8.113 6.923 325 HE1 TYR 44 1HE TYR 44 -4.210 7.553 5.130 326 HE2 TYR 44 2HE TYR 44 -1.192 10.038 6.839 327 HH TYR 44 HH TYR 44 -4.101 10.075 6.773 328 H LYS 45 H LYS 45 3.086 5.801 5.629 329 HA LYS 45 HA LYS 45 3.776 2.940 5.723 330 HB2 LYS 45 1HB LYS 45 4.750 4.191 3.741 331 HB3 LYS 45 2HB LYS 45 5.693 5.120 4.899 332 HG2 LYS 45 1HG LYS 45 6.482 2.799 5.740 333 HG3 LYS 45 2HG LYS 45 5.908 2.232 4.169 334 HD2 LYS 45 1HD LYS 45 7.495 3.438 3.007 335 HD3 LYS 45 2HD LYS 45 7.698 4.619 4.303 336 HE2 LYS 45 1HE LYS 45 8.460 1.788 4.821 337 HE3 LYS 45 2HE LYS 45 9.522 2.773 3.816 338 HZ1 LYS 45 1HZ LYS 45 8.777 4.238 6.101 339 HZ2 LYS 45 2HZ LYS 45 10.320 3.738 5.624 340 HZ3 LYS 45 3HZ LYS 45 9.366 2.729 6.590 341 H ASP 46 H ASP 46 4.599 2.271 7.598 342 HA ASP 46 HA ASP 46 5.318 2.295 9.759 343 HB2 ASP 46 1HB ASP 46 7.336 3.215 8.406 344 HB3 ASP 46 2HB ASP 46 6.908 4.765 9.126 345 H GLY 47 H GLY 47 2.917 3.814 9.097 346 HA2 GLY 47 1HA GLY 47 1.400 5.001 10.379 347 HA3 GLY 47 2HA GLY 47 2.654 5.220 11.592 348 H GLN 48 H GLN 48 3.365 6.121 8.338 349 HA GLN 48 HA GLN 48 2.927 8.952 9.021 350 HB2 GLN 48 1HB GLN 48 5.305 7.735 7.609 351 HB3 GLN 48 2HB GLN 48 4.999 9.463 7.721 352 HG2 GLN 48 1HG GLN 48 5.083 7.887 10.235 353 HG3 GLN 48 2HG GLN 48 6.600 8.223 9.402 354 HE21 GLN 48 1HE2 GLN 48 6.952 10.531 8.816 355 HE22 GLN 48 2HE2 GLN 48 6.455 11.729 9.957 356 H LYS 49 H LYS 49 2.495 10.363 7.264 357 HA LYS 49 HA LYS 49 0.924 9.152 5.198 358 HB2 LYS 49 1HB LYS 49 0.316 11.304 6.263 359 HB3 LYS 49 2HB LYS 49 1.741 12.043 5.546 360 HG2 LYS 49 1HG LYS 49 0.870 11.735 3.338 361 HG3 LYS 49 2HG LYS 49 -0.486 10.788 3.957 362 HD2 LYS 49 1HD LYS 49 -0.008 13.624 4.827 363 HD3 LYS 49 2HD LYS 49 -0.918 13.243 3.363 364 HE2 LYS 49 1HE LYS 49 -2.637 12.229 4.545 365 HE3 LYS 49 2HE LYS 49 -1.627 11.938 5.960 366 HZ1 LYS 49 1HZ LYS 49 -1.781 14.157 6.613 367 HZ2 LYS 49 2HZ LYS 49 -3.351 13.774 6.114 368 HZ3 LYS 49 3HZ LYS 49 -2.338 14.676 5.102 369 H VAL 50 H VAL 50 1.517 8.608 3.201 370 HA VAL 50 HA VAL 50 4.255 8.941 2.379 371 HB VAL 50 HB VAL 50 3.771 7.517 0.565 372 HG11 VAL 50 1HG1 VAL 50 2.659 6.867 3.176 373 HG12 VAL 50 2HG1 VAL 50 1.952 5.917 1.868 374 HG13 VAL 50 3HG1 VAL 50 3.699 5.913 2.118 375 HG21 VAL 50 1HG2 VAL 50 1.420 6.930 -0.062 376 HG22 VAL 50 2HG2 VAL 50 0.874 8.219 1.012 377 HG23 VAL 50 3HG2 VAL 50 1.871 8.603 -0.392 378 H GLU 51 H GLU 51 4.726 9.651 0.088 379 HA GLU 51 HA GLU 51 3.082 11.991 -0.620 380 HB2 GLU 51 1HB GLU 51 6.071 11.725 -0.440 381 HB3 GLU 51 2HB GLU 51 5.330 12.945 -1.466 382 HG2 GLU 51 1HG GLU 51 4.749 12.679 1.470 383 HG3 GLU 51 2HG GLU 51 6.013 13.717 0.815 384 H GLU 52 H GLU 52 2.662 12.331 -2.759 385 HA GLU 52 HA GLU 52 3.225 10.107 -4.541 386 HB2 GLU 52 1HB GLU 52 1.390 12.479 -4.647 387 HB3 GLU 52 2HB GLU 52 1.737 11.559 -6.104 388 HG2 GLU 52 1HG GLU 52 0.713 9.638 -5.286 389 HG3 GLU 52 2HG GLU 52 0.779 10.201 -3.617 390 H SER 53 H SER 53 4.952 10.101 -5.802 391 HA SER 53 HA SER 53 5.706 12.447 -7.301 392 HB2 SER 53 1HB SER 53 7.880 12.762 -6.440 393 HB3 SER 53 2HB SER 53 6.865 12.594 -5.007 394 HG SER 53 HG SER 53 8.335 11.141 -4.535 395 H GLU 54 H GLU 54 8.042 11.789 -8.367 396 HA GLU 54 HA GLU 54 7.443 9.757 -10.189 397 HB2 GLU 54 1HB GLU 54 9.602 10.096 -11.092 398 HB3 GLU 54 2HB GLU 54 9.099 11.661 -10.469 399 HG2 GLU 54 1HG GLU 54 10.452 11.324 -8.479 400 HG3 GLU 54 2HG GLU 54 10.935 9.733 -9.065 401 H LEU 55 H LEU 55 9.156 9.686 -7.139 402 HA LEU 55 HA LEU 55 10.117 6.989 -7.518 403 HB2 LEU 55 1HB LEU 55 10.121 8.835 -5.139 404 HB3 LEU 55 2HB LEU 55 10.815 7.215 -5.124 405 HG LEU 55 HG LEU 55 11.743 9.536 -6.815 406 HD11 LEU 55 1HD1 LEU 55 13.394 9.906 -5.314 407 HD12 LEU 55 2HD1 LEU 55 13.482 8.215 -4.824 408 HD13 LEU 55 3HD1 LEU 55 12.198 9.248 -4.198 409 HD21 LEU 55 1HD2 LEU 55 12.194 7.653 -8.110 410 HD22 LEU 55 2HD2 LEU 55 12.546 6.649 -6.703 411 HD23 LEU 55 3HD2 LEU 55 13.687 7.899 -7.204 412 H LEU 56 H LEU 56 7.232 8.443 -6.495 413 HA LEU 56 HA LEU 56 6.283 5.860 -5.466 414 HB2 LEU 56 1HB LEU 56 6.761 7.812 -3.752 415 HB3 LEU 56 2HB LEU 56 5.184 8.371 -4.307 416 HG LEU 56 HG LEU 56 5.433 5.551 -3.388 417 HD11 LEU 56 1HD1 LEU 56 6.148 7.809 -1.760 418 HD12 LEU 56 2HD1 LEU 56 6.163 6.091 -1.365 419 HD13 LEU 56 3HD1 LEU 56 4.691 7.034 -1.139 420 HD21 LEU 56 1HD2 LEU 56 3.197 5.668 -3.231 421 HD22 LEU 56 2HD2 LEU 56 3.371 7.078 -4.276 422 HD23 LEU 56 3HD2 LEU 56 3.227 7.286 -2.530 423 H VAL 57 H VAL 57 4.941 5.207 -7.027 424 HA VAL 57 HA VAL 57 3.095 7.161 -8.219 425 HB VAL 57 HB VAL 57 3.616 4.373 -9.237 426 HG11 VAL 57 1HG1 VAL 57 2.299 4.905 -10.976 427 HG12 VAL 57 2HG1 VAL 57 1.672 6.155 -9.899 428 HG13 VAL 57 3HG1 VAL 57 2.925 6.550 -11.076 429 HG21 VAL 57 1HG2 VAL 57 4.956 6.034 -10.948 430 HG22 VAL 57 2HG2 VAL 57 5.319 6.747 -9.375 431 HG23 VAL 57 3HG2 VAL 57 5.704 5.054 -9.686 432 H VAL 58 H VAL 58 0.986 7.075 -7.788 433 HA VAL 58 HA VAL 58 -0.050 4.686 -6.405 434 HB VAL 58 HB VAL 58 -1.032 7.533 -6.157 435 HG11 VAL 58 1HG1 VAL 58 -2.663 6.797 -4.701 436 HG12 VAL 58 2HG1 VAL 58 -2.637 5.495 -5.893 437 HG13 VAL 58 3HG1 VAL 58 -1.816 5.292 -4.345 438 HG21 VAL 58 1HG2 VAL 58 0.867 7.638 -4.903 439 HG22 VAL 58 2HG2 VAL 58 -0.221 6.952 -3.696 440 HG23 VAL 58 3HG2 VAL 58 0.886 5.904 -4.583 441 H LYS 59 H LYS 59 -1.107 3.510 -7.880 442 HA LYS 59 HA LYS 59 -2.769 4.865 -9.876 443 HB2 LYS 59 1HB LYS 59 -1.893 1.978 -9.675 444 HB3 LYS 59 2HB LYS 59 -2.876 2.645 -10.972 445 HG2 LYS 59 1HG LYS 59 -0.142 3.702 -10.326 446 HG3 LYS 59 2HG LYS 59 -0.403 2.354 -11.435 447 HD2 LYS 59 1HD LYS 59 -1.951 3.843 -12.731 448 HD3 LYS 59 2HD LYS 59 -1.429 5.177 -11.700 449 HE2 LYS 59 1HE LYS 59 0.963 4.398 -12.417 450 HE3 LYS 59 2HE LYS 59 0.102 3.654 -13.763 451 HZ1 LYS 59 1HZ LYS 59 -0.802 6.301 -13.400 452 HZ2 LYS 59 2HZ LYS 59 -0.047 5.615 -14.749 453 HZ3 LYS 59 3HZ LYS 59 0.886 6.302 -13.516 454 H MET 60 H MET 60 -4.934 4.811 -9.822 455 HA MET 60 HA MET 60 -6.201 3.130 -7.762 456 HB2 MET 60 1HB MET 60 -6.738 5.248 -7.058 457 HB3 MET 60 2HB MET 60 -6.707 5.914 -8.685 458 HG2 MET 60 1HG MET 60 -8.841 4.728 -9.145 459 HG3 MET 60 2HG MET 60 -8.882 4.246 -7.451 460 HE1 MET 60 1HE MET 60 -11.359 5.876 -8.762 461 HE2 MET 60 2HE MET 60 -11.100 7.612 -8.926 462 HE3 MET 60 3HE MET 60 -10.194 6.486 -9.937 463 H ASP 61 H ASP 61 -8.518 2.570 -8.263 464 HA ASP 61 HA ASP 61 -9.501 2.567 -10.901 465 HB2 ASP 61 1HB ASP 61 -7.454 0.879 -10.858 466 HB3 ASP 61 2HB ASP 61 -8.666 -0.206 -10.182 467 H GLY 62 H GLY 62 -11.382 1.021 -11.145 468 HA2 GLY 62 1HA GLY 62 -13.274 1.383 -9.214 469 HA3 GLY 62 2HA GLY 62 -13.303 0.033 -10.339 470 H ARG 63 H ARG 63 -13.103 0.937 -7.110 471 HA ARG 63 HA ARG 63 -12.594 -0.158 -5.165 472 HB2 ARG 63 1HB ARG 63 -13.674 -2.506 -6.733 473 HB3 ARG 63 2HB ARG 63 -13.609 -2.363 -4.981 474 HG2 ARG 63 1HG ARG 63 -15.313 -0.784 -4.921 475 HG3 ARG 63 2HG ARG 63 -15.120 -0.372 -6.626 476 HD2 ARG 63 1HD ARG 63 -16.216 -2.289 -7.343 477 HD3 ARG 63 2HD ARG 63 -15.938 -3.135 -5.822 478 HE ARG 63 HE ARG 63 -17.594 -0.858 -5.444 479 HH11 ARG 63 2HH1 ARG 63 -17.610 -4.130 -6.633 480 HH12 ARG 63 1HH1 ARG 63 -19.295 -4.376 -6.314 481 HH21 ARG 63 2HH2 ARG 63 -19.813 -1.169 -5.020 482 HH22 ARG 63 1HH2 ARG 63 -20.547 -2.691 -5.397 483 H LYS 64 H LYS 64 -10.406 0.000 -7.036 484 HA LYS 64 HA LYS 64 -8.777 -2.149 -5.944 485 HB2 LYS 64 1HB LYS 64 -9.126 -1.668 -8.903 486 HB3 LYS 64 2HB LYS 64 -7.768 -2.561 -8.230 487 HG2 LYS 64 1HG LYS 64 -9.492 -4.076 -7.147 488 HG3 LYS 64 2HG LYS 64 -10.678 -3.295 -8.195 489 HD2 LYS 64 1HD LYS 64 -9.674 -4.120 -10.140 490 HD3 LYS 64 2HD LYS 64 -8.159 -4.486 -9.310 491 HE2 LYS 64 1HE LYS 64 -9.058 -6.587 -9.495 492 HE3 LYS 64 2HE LYS 64 -9.681 -6.107 -7.917 493 HZ1 LYS 64 1HZ LYS 64 -11.338 -5.412 -10.198 494 HZ2 LYS 64 2HZ LYS 64 -11.781 -6.009 -8.679 495 HZ3 LYS 64 3HZ LYS 64 -11.208 -7.066 -9.869 496 H HIS 65 H HIS 65 -7.047 -1.216 -5.096 497 HA HIS 65 HA HIS 65 -5.793 1.022 -6.526 498 HB2 HIS 65 1HB HIS 65 -6.228 0.939 -3.534 499 HB3 HIS 65 2HB HIS 65 -5.436 2.226 -4.439 500 HD1 HIS 65 1HD HIS 65 -6.939 4.177 -4.507 501 HD2 HIS 65 2HD HIS 65 -9.035 0.612 -4.904 502 HE1 HIS 65 1HE HIS 65 -9.342 4.843 -4.834 503 HE2 HIS 65 2HE HIS 65 -10.603 2.667 -4.986 504 H ARG 66 H ARG 66 -3.584 1.063 -6.487 505 HA ARG 66 HA ARG 66 -2.135 -0.746 -4.728 506 HB2 ARG 66 1HB ARG 66 -0.836 -1.560 -6.817 507 HB3 ARG 66 2HB ARG 66 -2.392 -2.291 -6.449 508 HG2 ARG 66 1HG ARG 66 -3.477 -1.066 -8.157 509 HG3 ARG 66 2HG ARG 66 -2.077 -0.016 -8.384 510 HD2 ARG 66 1HD ARG 66 -0.855 -2.267 -8.921 511 HD3 ARG 66 2HD ARG 66 -2.490 -2.847 -9.235 512 HE ARG 66 HE ARG 66 -2.188 -0.460 -10.620 513 HH11 ARG 66 2HH1 ARG 66 -0.805 -3.655 -10.619 514 HH12 ARG 66 1HH1 ARG 66 -0.428 -3.634 -12.310 515 HH21 ARG 66 2HH2 ARG 66 -1.696 -0.420 -12.847 516 HH22 ARG 66 1HH2 ARG 66 -0.935 -1.793 -13.576 517 H LEU 67 H LEU 67 0.070 -0.245 -4.514 518 HA LEU 67 HA LEU 67 0.793 2.408 -5.562 519 HB2 LEU 67 1HB LEU 67 0.599 1.785 -3.004 520 HB3 LEU 67 2HB LEU 67 2.227 1.165 -3.270 521 HG LEU 67 HG LEU 67 1.358 4.008 -3.784 522 HD11 LEU 67 1HD1 LEU 67 3.287 3.434 -1.652 523 HD12 LEU 67 2HD1 LEU 67 1.646 2.870 -1.336 524 HD13 LEU 67 3HD1 LEU 67 1.940 4.572 -1.694 525 HD21 LEU 67 1HD2 LEU 67 4.138 3.769 -3.455 526 HD22 LEU 67 2HD2 LEU 67 3.253 4.180 -4.924 527 HD23 LEU 67 3HD2 LEU 67 3.657 2.497 -4.578 528 H ILE 68 H ILE 68 2.292 2.448 -7.088 529 HA ILE 68 HA ILE 68 4.061 0.136 -7.415 530 HB ILE 68 HB ILE 68 3.193 2.337 -9.256 531 HG12 ILE 68 1HG1 ILE 68 3.421 -0.559 -9.960 532 HG13 ILE 68 2HG1 ILE 68 2.116 -0.050 -8.895 533 HG21 ILE 68 1HG2 ILE 68 5.508 2.373 -9.651 534 HG22 ILE 68 2HG2 ILE 68 5.645 0.622 -9.502 535 HG23 ILE 68 3HG2 ILE 68 4.847 1.327 -10.908 536 HD11 ILE 68 1HD1 ILE 68 1.373 1.543 -10.610 537 HD12 ILE 68 2HD1 ILE 68 2.645 0.952 -11.680 538 HD13 ILE 68 3HD1 ILE 68 1.347 -0.128 -11.173 539 H LEU 69 H LEU 69 6.315 0.391 -7.721 540 HA LEU 69 HA LEU 69 7.465 2.978 -6.981 541 HB2 LEU 69 1HB LEU 69 7.881 0.377 -5.546 542 HB3 LEU 69 2HB LEU 69 9.095 1.654 -5.504 543 HG LEU 69 HG LEU 69 6.250 1.961 -4.547 544 HD11 LEU 69 1HD1 LEU 69 7.237 1.916 -2.292 545 HD12 LEU 69 2HD1 LEU 69 8.791 1.476 -2.999 546 HD13 LEU 69 3HD1 LEU 69 7.417 0.380 -3.140 547 HD21 LEU 69 1HD2 LEU 69 8.678 3.736 -4.328 548 HD22 LEU 69 2HD2 LEU 69 7.151 4.006 -3.487 549 HD23 LEU 69 3HD2 LEU 69 7.209 4.059 -5.249 550 HA PRO 70 HA PRO 70 9.975 1.731 -10.451 551 HB2 PRO 70 1HB PRO 70 11.456 4.004 -10.539 552 HB3 PRO 70 2HB PRO 70 9.805 3.909 -11.162 553 HG2 PRO 70 1HG PRO 70 10.782 4.978 -8.542 554 HG3 PRO 70 2HG PRO 70 9.564 5.652 -9.641 555 HD2 PRO 70 1HD PRO 70 8.906 4.264 -7.412 556 HD3 PRO 70 2HD PRO 70 7.913 4.233 -8.883 557 H GLU 71 H GLU 71 11.309 3.129 -7.476 558 HA GLU 71 HA GLU 71 13.542 1.233 -7.673 559 HB2 GLU 71 1HB GLU 71 14.062 3.713 -8.331 560 HB3 GLU 71 2HB GLU 71 14.020 3.986 -6.595 561 HG2 GLU 71 1HG GLU 71 15.711 2.114 -6.399 562 HG3 GLU 71 2HG GLU 71 15.881 2.220 -8.150 563 H ALA 72 H ALA 72 13.043 -0.114 -6.046 564 HA ALA 72 HA ALA 72 11.836 0.765 -3.604 565 HB1 ALA 72 1HB ALA 72 13.162 -1.897 -3.883 566 HB2 ALA 72 2HB ALA 72 11.680 -1.463 -3.029 567 HB3 ALA 72 3HB ALA 72 11.690 -1.548 -4.791 568 H LYS 73 H LYS 73 13.229 2.276 -2.683 569 HA LYS 73 HA LYS 73 15.981 1.614 -2.140 570 HB2 LYS 73 1HB LYS 73 14.355 3.916 -1.051 571 HB3 LYS 73 2HB LYS 73 16.109 3.786 -1.088 572 HG2 LYS 73 1HG LYS 73 15.921 3.704 -3.606 573 HG3 LYS 73 2HG LYS 73 14.230 4.169 -3.400 574 HD2 LYS 73 1HD LYS 73 14.927 6.193 -2.221 575 HD3 LYS 73 2HD LYS 73 16.619 5.723 -2.403 576 HE2 LYS 73 1HE LYS 73 16.422 5.867 -4.818 577 HE3 LYS 73 2HE LYS 73 14.707 6.250 -4.677 578 HZ1 LYS 73 1HZ LYS 73 15.561 8.205 -3.251 579 HZ2 LYS 73 2HZ LYS 73 15.666 8.312 -4.935 580 HZ3 LYS 73 3HZ LYS 73 17.038 7.926 -4.025 581 H VAL 74 H VAL 74 16.901 1.545 0.008 582 HA VAL 74 HA VAL 74 15.637 -0.271 1.712 583 HB VAL 74 HB VAL 74 17.921 1.628 2.239 584 HG11 VAL 74 1HG1 VAL 74 18.341 -0.137 4.126 585 HG12 VAL 74 2HG1 VAL 74 17.246 1.220 4.401 586 HG13 VAL 74 3HG1 VAL 74 16.597 -0.373 4.012 587 HG21 VAL 74 1HG2 VAL 74 17.784 -0.639 0.679 588 HG22 VAL 74 2HG2 VAL 74 19.254 0.077 1.340 589 HG23 VAL 74 3HG2 VAL 74 18.447 -1.233 2.202 590 H GLN 75 H GLN 75 15.300 3.134 1.449 591 HA GLN 75 HA GLN 75 14.320 3.547 4.126 592 HB2 GLN 75 1HB GLN 75 14.320 5.305 1.671 593 HB3 GLN 75 2HB GLN 75 13.700 5.815 3.236 594 HG2 GLN 75 1HG GLN 75 15.922 5.446 4.215 595 HG3 GLN 75 2HG GLN 75 16.531 4.997 2.623 596 HE21 GLN 75 1HE2 GLN 75 17.481 6.549 1.528 597 HE22 GLN 75 2HE2 GLN 75 17.224 8.246 1.728 598 H ASP 76 H ASP 76 12.993 2.713 1.037 599 HA ASP 76 HA ASP 76 10.281 3.399 1.709 600 HB2 ASP 76 1HB ASP 76 11.646 2.081 -0.597 601 HB3 ASP 76 2HB ASP 76 9.914 1.831 -0.395 602 H SER 77 H SER 77 12.348 0.864 2.497 603 HA SER 77 HA SER 77 10.506 -1.298 2.543 604 HB2 SER 77 1HB SER 77 12.186 -2.461 3.867 605 HB3 SER 77 2HB SER 77 12.973 -1.593 2.549 606 HG SER 77 HG SER 77 14.079 -0.579 4.003 607 H GLY 78 H GLY 78 8.982 -1.819 3.980 608 HA2 GLY 78 1HA GLY 78 8.965 -1.593 6.692 609 HA3 GLY 78 2HA GLY 78 8.417 -0.012 6.151 610 H GLU 79 H GLU 79 6.384 -0.348 7.127 611 HA GLU 79 HA GLU 79 4.701 -2.377 5.818 612 HB2 GLU 79 1HB GLU 79 5.063 -2.208 8.430 613 HB3 GLU 79 2HB GLU 79 3.836 -0.956 8.298 614 HG2 GLU 79 1HG GLU 79 2.267 -2.508 7.362 615 HG3 GLU 79 2HG GLU 79 3.498 -3.767 7.283 616 H PHE 80 H PHE 80 3.024 -1.759 4.599 617 HA PHE 80 HA PHE 80 2.430 1.119 4.467 618 HB2 PHE 80 1HB PHE 80 2.229 -1.080 2.416 619 HB3 PHE 80 2HB PHE 80 1.424 0.471 2.200 620 HD1 PHE 80 1HD PHE 80 4.801 -0.795 3.169 621 HD2 PHE 80 2HD PHE 80 2.526 2.017 0.926 622 HE1 PHE 80 1HE PHE 80 6.879 0.150 2.252 623 HE2 PHE 80 2HE PHE 80 4.600 2.966 0.004 624 HZ PHE 80 HZ PHE 80 6.781 2.032 0.666 625 H GLU 81 H GLU 81 0.287 1.838 4.394 626 HA GLU 81 HA GLU 81 -1.819 -0.129 4.891 627 HB2 GLU 81 1HB GLU 81 -1.019 0.586 7.107 628 HB3 GLU 81 2HB GLU 81 -1.318 2.262 6.672 629 HG2 GLU 81 1HG GLU 81 -3.750 1.321 6.216 630 HG3 GLU 81 2HG GLU 81 -3.228 0.115 7.390 631 H CYS 82 H CYS 82 -3.724 0.382 3.964 632 HA CYS 82 HA CYS 82 -3.848 2.917 2.499 633 HB2 CYS 82 1HB CYS 82 -4.176 1.102 1.027 634 HB3 CYS 82 2HB CYS 82 -5.235 0.267 2.157 635 HG CYS 82 HG CYS 82 -6.026 3.100 0.405 636 H ARG 83 H ARG 83 -4.527 4.315 4.117 637 HA ARG 83 HA ARG 83 -6.663 3.793 5.888 638 HB2 ARG 83 1HB ARG 83 -4.794 5.637 5.923 639 HB3 ARG 83 2HB ARG 83 -5.980 6.576 5.027 640 HG2 ARG 83 1HG ARG 83 -7.595 6.221 6.860 641 HG3 ARG 83 2HG ARG 83 -6.336 5.377 7.765 642 HD2 ARG 83 1HD ARG 83 -6.348 7.591 8.583 643 HD3 ARG 83 2HD ARG 83 -4.942 7.472 7.525 644 HE ARG 83 HE ARG 83 -5.875 9.079 6.208 645 HH11 ARG 83 2HH1 ARG 83 -8.393 7.605 8.107 646 HH12 ARG 83 1HH1 ARG 83 -9.624 8.693 7.557 647 HH21 ARG 83 2HH2 ARG 83 -7.487 10.517 5.476 648 HH22 ARG 83 1HH2 ARG 83 -9.108 10.348 6.060 649 H THR 84 H THR 84 -8.753 3.634 5.460 650 HA THR 84 HA THR 84 -9.914 5.311 3.348 651 HB THR 84 HB THR 84 -9.454 2.757 2.758 652 HG1 THR 84 1HG THR 84 -11.482 4.542 2.080 653 HG21 THR 84 1HG2 THR 84 -11.037 1.237 3.417 654 HG22 THR 84 2HG2 THR 84 -12.275 2.469 3.665 655 HG23 THR 84 3HG2 THR 84 -10.992 2.255 4.856 656 H GLU 85 H GLU 85 -12.318 5.397 3.483 657 HA GLU 85 HA GLU 85 -13.105 5.901 6.191 658 HB2 GLU 85 1HB GLU 85 -14.405 6.204 3.510 659 HB3 GLU 85 2HB GLU 85 -15.387 6.307 4.966 660 HG2 GLU 85 1HG GLU 85 -13.555 8.020 5.712 661 HG3 GLU 85 2HG GLU 85 -13.261 8.139 3.978 662 H GLY 86 H GLY 86 -12.575 3.429 6.521 663 HA2 GLY 86 1HA GLY 86 -14.954 2.170 7.285 664 HA3 GLY 86 2HA GLY 86 -14.471 1.495 5.736 665 H VAL 87 H VAL 87 -12.019 0.917 5.692 666 HA VAL 87 HA VAL 87 -11.164 -0.201 8.263 667 HB VAL 87 HB VAL 87 -10.471 -2.303 6.925 668 HG11 VAL 87 1HG1 VAL 87 -13.387 -1.825 7.530 669 HG12 VAL 87 2HG1 VAL 87 -12.577 -3.390 7.440 670 HG13 VAL 87 3HG1 VAL 87 -12.155 -2.250 8.717 671 HG21 VAL 87 1HG2 VAL 87 -11.228 -2.619 4.846 672 HG22 VAL 87 2HG2 VAL 87 -12.843 -2.040 5.255 673 HG23 VAL 87 3HG2 VAL 87 -11.574 -0.889 4.835 674 H SER 88 H SER 88 -8.919 -1.380 7.805 675 HA SER 88 HA SER 88 -7.321 0.268 5.976 676 HB2 SER 88 1HB SER 88 -6.192 -0.378 8.669 677 HB3 SER 88 2HB SER 88 -5.821 0.968 7.592 678 HG SER 88 HG SER 88 -7.225 1.239 9.629 679 H ALA 89 H ALA 89 -5.584 -0.749 5.049 680 HA ALA 89 HA ALA 89 -5.400 -3.641 5.543 681 HB1 ALA 89 1HB ALA 89 -5.843 -3.563 3.323 682 HB2 ALA 89 2HB ALA 89 -5.142 -1.956 3.126 683 HB3 ALA 89 3HB ALA 89 -4.092 -3.369 3.231 684 H PHE 90 H PHE 90 -3.158 -4.555 5.003 685 HA PHE 90 HA PHE 90 -0.992 -2.773 5.828 686 HB2 PHE 90 1HB PHE 90 -1.804 -5.303 7.254 687 HB3 PHE 90 2HB PHE 90 -0.183 -4.628 7.391 688 HD1 PHE 90 1HD PHE 90 -3.763 -3.909 7.987 689 HD2 PHE 90 2HD PHE 90 0.268 -2.858 8.858 690 HE1 PHE 90 1HE PHE 90 -4.543 -2.418 9.781 691 HE2 PHE 90 2HE PHE 90 -0.505 -1.366 10.654 692 HZ PHE 90 HZ PHE 90 -2.914 -1.144 11.118 693 H PHE 91 H PHE 91 0.776 -3.076 4.638 694 HA PHE 91 HA PHE 91 1.151 -5.675 3.310 695 HB2 PHE 91 1HB PHE 91 1.629 -2.962 2.059 696 HB3 PHE 91 2HB PHE 91 1.933 -4.519 1.296 697 HD1 PHE 91 1HD PHE 91 0.020 -6.003 0.734 698 HD2 PHE 91 2HD PHE 91 -0.527 -2.005 2.088 699 HE1 PHE 91 1HE PHE 91 -2.282 -6.027 -0.135 700 HE2 PHE 91 2HE PHE 91 -2.830 -2.023 1.222 701 HZ PHE 91 HZ PHE 91 -3.710 -4.036 0.109 702 H GLY 92 H GLY 92 2.981 -6.567 3.979 703 HA2 GLY 92 1HA GLY 92 5.054 -4.948 5.196 704 HA3 GLY 92 2HA GLY 92 5.021 -6.702 5.094 705 H VAL 93 H VAL 93 6.797 -4.183 4.214 706 HA VAL 93 HA VAL 93 7.721 -5.503 1.750 707 HB VAL 93 HB VAL 93 7.497 -2.530 2.230 708 HG11 VAL 93 1HG1 VAL 93 8.462 -2.294 -0.034 709 HG12 VAL 93 2HG1 VAL 93 9.597 -2.986 1.126 710 HG13 VAL 93 3HG1 VAL 93 8.789 -4.026 -0.048 711 HG21 VAL 93 1HG2 VAL 93 6.352 -3.238 -0.212 712 HG22 VAL 93 2HG2 VAL 93 5.822 -4.482 0.921 713 HG23 VAL 93 3HG2 VAL 93 5.506 -2.782 1.267 714 H THR 94 H THR 94 9.773 -6.116 1.852 715 HA THR 94 HA THR 94 11.594 -4.667 3.659 716 HB THR 94 HB THR 94 11.497 -7.656 3.208 717 HG1 THR 94 1HG THR 94 11.121 -6.170 5.608 718 HG21 THR 94 1HG2 THR 94 13.760 -7.272 3.486 719 HG22 THR 94 2HG2 THR 94 13.234 -7.491 5.156 720 HG23 THR 94 3HG2 THR 94 13.501 -5.868 4.521 721 H VAL 95 H VAL 95 12.740 -3.509 2.194 722 HA VAL 95 HA VAL 95 13.706 -4.762 -0.244 723 HB VAL 95 HB VAL 95 14.331 -1.973 0.713 724 HG11 VAL 95 1HG1 VAL 95 13.986 -2.416 -2.132 725 HG12 VAL 95 2HG1 VAL 95 15.335 -1.688 -1.257 726 HG13 VAL 95 3HG1 VAL 95 15.248 -3.440 -1.448 727 HG21 VAL 95 1HG2 VAL 95 12.360 -1.638 -1.125 728 HG22 VAL 95 2HG2 VAL 95 11.813 -3.096 -0.298 729 HG23 VAL 95 3HG2 VAL 95 12.111 -1.621 0.621 730 H GLN 96 H GLN 96 15.307 -6.188 0.234 731 HA GLN 96 HA GLN 96 17.460 -5.401 2.030 732 HB2 GLN 96 1HB GLN 96 18.279 -7.783 1.368 733 HB3 GLN 96 2HB GLN 96 16.897 -7.610 2.442 734 HG2 GLN 96 1HG GLN 96 15.370 -8.064 0.664 735 HG3 GLN 96 2HG GLN 96 16.670 -8.024 -0.527 736 HE21 GLN 96 1HE2 GLN 96 15.702 -9.711 2.436 737 HE22 GLN 96 2HE2 GLN 96 16.284 -11.263 1.948 738 H ASP 97 H ASP 97 19.374 -4.660 1.380 739 HA ASP 97 HA ASP 97 19.850 -4.165 -1.402 740 HB2 ASP 97 1HB ASP 97 22.068 -3.269 -0.519 741 HB3 ASP 97 2HB ASP 97 20.610 -2.478 0.074 742 HA PRO 98 HA PRO 98 21.961 -7.940 -2.309 743 HB2 PRO 98 1HB PRO 98 23.060 -7.171 -4.670 744 HB3 PRO 98 2HB PRO 98 21.346 -7.569 -4.492 745 HG2 PRO 98 1HG PRO 98 22.673 -4.885 -4.546 746 HG3 PRO 98 2HG PRO 98 21.176 -5.410 -5.339 747 HD2 PRO 98 1HD PRO 98 21.182 -3.983 -3.037 748 HD3 PRO 98 2HD PRO 98 19.928 -5.181 -3.415 749 H SER 99 H SER 99 23.503 -7.851 -0.603 750 HA SER 99 HA SER 99 25.706 -6.262 -0.333 751 HB2 SER 99 1HB SER 99 25.151 -9.111 0.366 752 HB3 SER 99 2HB SER 99 26.806 -8.524 0.528 753 HG SER 99 HG SER 99 26.095 -6.971 1.961 754 H GLY 100 H GLY 100 27.868 -6.329 -1.008 755 HA2 GLY 100 1HA GLY 100 28.984 -8.214 -2.753 756 HA3 GLY 100 2HA GLY 100 28.279 -6.933 -3.728 757 HA PRO 101 HA PRO 101 32.639 -5.864 -2.206 758 HB2 PRO 101 1HB PRO 101 33.907 -6.038 -4.600 759 HB3 PRO 101 2HB PRO 101 33.759 -7.405 -3.489 760 HG2 PRO 101 1HG PRO 101 32.136 -6.756 -5.919 761 HG3 PRO 101 2HG PRO 101 32.781 -8.320 -5.391 762 HD2 PRO 101 1HD PRO 101 30.199 -7.603 -5.002 763 HD3 PRO 101 2HD PRO 101 31.080 -8.650 -3.871 764 H SER 102 H SER 102 32.263 -3.731 -1.882 765 HA SER 102 HA SER 102 31.178 -1.962 -3.792 766 HB2 SER 102 1HB SER 102 31.421 -1.749 -1.183 767 HB3 SER 102 2HB SER 102 32.954 -0.976 -1.587 768 HG SER 102 HG SER 102 31.666 0.711 -1.712 769 H SER 103 H SER 103 32.080 -0.687 -5.311 770 HA SER 103 HA SER 103 34.956 -1.025 -5.787 771 HB2 SER 103 1HB SER 103 32.785 -0.041 -7.654 772 HB3 SER 103 2HB SER 103 34.476 -0.291 -8.087 773 HG SER 103 HG SER 103 32.602 -2.046 -8.272 774 H GLY 104 H GLY 104 35.869 0.993 -7.058 775 HA2 GLY 104 1HA GLY 104 35.768 3.431 -7.200 776 HA3 GLY 104 2HA GLY 104 35.044 3.425 -5.599 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -29.465 -1.601 -9.298 2 HA2 GLY 1 1HA GLY 1 -31.749 -1.624 -7.697 3 HA3 GLY 1 2HA GLY 1 -31.274 -3.298 -7.940 4 H SER 2 H SER 2 -30.291 -0.200 -6.616 5 HA SER 2 HA SER 2 -28.073 -1.502 -5.203 6 HB2 SER 2 1HB SER 2 -27.417 0.868 -4.629 7 HB3 SER 2 2HB SER 2 -27.380 0.487 -6.350 8 HG SER 2 HG SER 2 -29.320 1.566 -6.606 9 H SER 3 H SER 3 -28.510 -2.246 -3.245 10 HA SER 3 HA SER 3 -30.512 -0.833 -1.610 11 HB2 SER 3 1HB SER 3 -29.861 -3.722 -1.952 12 HB3 SER 3 2HB SER 3 -30.386 -3.183 -0.356 13 HG SER 3 HG SER 3 -31.798 -3.334 -2.741 14 H GLY 4 H GLY 4 -30.083 -0.454 0.580 15 HA2 GLY 4 1HA GLY 4 -27.555 0.389 1.274 16 HA3 GLY 4 2HA GLY 4 -28.798 -0.038 2.440 17 H SER 5 H SER 5 -26.252 -0.438 3.178 18 HA SER 5 HA SER 5 -26.182 -3.250 3.662 19 HB2 SER 5 1HB SER 5 -25.173 -3.020 1.336 20 HB3 SER 5 2HB SER 5 -23.835 -2.163 2.102 21 HG SER 5 HG SER 5 -23.347 -4.360 1.925 22 H SER 6 H SER 6 -25.081 -3.701 5.498 23 HA SER 6 HA SER 6 -24.379 -1.669 7.260 24 HB2 SER 6 1HB SER 6 -24.886 -3.787 8.193 25 HB3 SER 6 2HB SER 6 -23.679 -4.602 7.199 26 HG SER 6 HG SER 6 -22.681 -4.395 9.106 27 H GLY 7 H GLY 7 -22.622 -0.447 7.532 28 HA2 GLY 7 1HA GLY 7 -20.360 0.121 7.535 29 HA3 GLY 7 2HA GLY 7 -20.009 -1.375 6.681 30 HA PRO 8 HA PRO 8 -20.508 2.509 3.832 31 HB2 PRO 8 1HB PRO 8 -18.121 3.772 4.101 32 HB3 PRO 8 2HB PRO 8 -19.542 4.189 5.065 33 HG2 PRO 8 1HG PRO 8 -17.193 2.483 5.793 34 HG3 PRO 8 2HG PRO 8 -18.026 3.712 6.763 35 HD2 PRO 8 1HD PRO 8 -18.470 1.059 7.079 36 HD3 PRO 8 2HD PRO 8 -19.735 2.277 7.342 37 H VAL 9 H VAL 9 -17.334 1.041 4.558 38 HA VAL 9 HA VAL 9 -17.279 -0.358 2.061 39 HB VAL 9 HB VAL 9 -16.651 1.824 1.206 40 HG11 VAL 9 1HG1 VAL 9 -14.097 2.184 2.434 41 HG12 VAL 9 2HG1 VAL 9 -15.477 3.283 2.400 42 HG13 VAL 9 3HG1 VAL 9 -15.334 2.084 3.686 43 HG21 VAL 9 1HG2 VAL 9 -14.214 1.209 0.517 44 HG22 VAL 9 2HG2 VAL 9 -14.560 -0.305 1.352 45 HG23 VAL 9 3HG2 VAL 9 -15.558 0.197 -0.013 46 H HIS 10 H HIS 10 -16.365 -2.226 2.569 47 HA HIS 10 HA HIS 10 -14.306 -2.274 4.669 48 HB2 HIS 10 1HB HIS 10 -14.869 -4.654 4.936 49 HB3 HIS 10 2HB HIS 10 -16.283 -3.628 5.160 50 HD1 HIS 10 1HD HIS 10 -18.233 -3.963 3.580 51 HD2 HIS 10 2HD HIS 10 -14.876 -6.166 2.513 52 HE1 HIS 10 1HE HIS 10 -19.004 -5.530 1.770 53 HE2 HIS 10 2HE HIS 10 -16.976 -6.911 1.201 54 H ILE 11 H ILE 11 -12.593 -3.939 4.405 55 HA ILE 11 HA ILE 11 -11.506 -3.771 1.717 56 HB ILE 11 HB ILE 11 -10.257 -4.947 4.202 57 HG12 ILE 11 1HG1 ILE 11 -10.901 -2.389 4.045 58 HG13 ILE 11 2HG1 ILE 11 -9.352 -2.890 4.713 59 HG21 ILE 11 1HG2 ILE 11 -8.158 -4.324 2.762 60 HG22 ILE 11 2HG2 ILE 11 -9.010 -5.843 2.497 61 HG23 ILE 11 3HG2 ILE 11 -9.295 -4.474 1.422 62 HD11 ILE 11 1HD1 ILE 11 -9.700 -1.028 2.762 63 HD12 ILE 11 2HD1 ILE 11 -8.203 -1.908 3.074 64 HD13 ILE 11 3HD1 ILE 11 -9.313 -2.472 1.825 65 H LEU 12 H LEU 12 -10.887 -5.532 0.459 66 HA LEU 12 HA LEU 12 -12.116 -8.098 1.227 67 HB2 LEU 12 1HB LEU 12 -11.561 -7.355 -1.612 68 HB3 LEU 12 2HB LEU 12 -12.743 -8.490 -0.965 69 HG LEU 12 HG LEU 12 -12.944 -5.484 -0.786 70 HD11 LEU 12 1HD1 LEU 12 -14.414 -7.424 -2.564 71 HD12 LEU 12 2HD1 LEU 12 -13.165 -6.294 -3.085 72 HD13 LEU 12 3HD1 LEU 12 -14.697 -5.686 -2.456 73 HD21 LEU 12 1HD2 LEU 12 -15.205 -7.370 -0.331 74 HD22 LEU 12 2HD2 LEU 12 -14.945 -5.744 0.302 75 HD23 LEU 12 3HD2 LEU 12 -14.039 -7.105 0.965 76 H SER 13 H SER 13 -9.316 -6.501 -0.135 77 HA SER 13 HA SER 13 -7.659 -8.764 0.534 78 HB2 SER 13 1HB SER 13 -8.377 -9.476 -1.668 79 HB3 SER 13 2HB SER 13 -7.976 -7.899 -2.349 80 HG SER 13 HG SER 13 -6.411 -9.938 -2.272 81 HA PRO 14 HA PRO 14 -5.746 -9.291 0.915 82 HB2 PRO 14 1HB PRO 14 -4.355 -8.833 3.201 83 HB3 PRO 14 2HB PRO 14 -3.594 -8.876 1.606 84 HG2 PRO 14 1HG PRO 14 -4.436 -6.513 3.240 85 HG3 PRO 14 2HG PRO 14 -2.948 -6.755 2.307 86 HD2 PRO 14 1HD PRO 14 -5.024 -5.284 1.382 87 HD3 PRO 14 2HD PRO 14 -3.965 -6.220 0.309 88 H GLN 15 H GLN 15 -5.978 -10.237 3.328 89 HA GLN 15 HA GLN 15 -8.569 -9.238 4.263 90 HB2 GLN 15 1HB GLN 15 -7.214 -11.867 4.883 91 HB3 GLN 15 2HB GLN 15 -8.866 -11.420 5.289 92 HG2 GLN 15 1HG GLN 15 -9.566 -11.527 3.062 93 HG3 GLN 15 2HG GLN 15 -7.913 -11.490 2.450 94 HE21 GLN 15 1HE2 GLN 15 -8.099 -13.354 1.264 95 HE22 GLN 15 2HE2 GLN 15 -8.246 -14.918 1.982 96 H ASP 16 H ASP 16 -5.324 -10.027 5.376 97 HA ASP 16 HA ASP 16 -5.875 -8.511 7.831 98 HB2 ASP 16 1HB ASP 16 -4.103 -10.939 7.885 99 HB3 ASP 16 2HB ASP 16 -4.869 -10.103 9.232 100 H LYS 17 H LYS 17 -3.066 -10.225 6.466 101 HA LYS 17 HA LYS 17 -1.713 -7.740 5.891 102 HB2 LYS 17 1HB LYS 17 -1.155 -7.805 8.195 103 HB3 LYS 17 2HB LYS 17 -0.844 -9.535 8.150 104 HG2 LYS 17 1HG LYS 17 1.271 -8.571 8.250 105 HG3 LYS 17 2HG LYS 17 1.061 -8.971 6.544 106 HD2 LYS 17 1HD LYS 17 0.787 -6.758 5.925 107 HD3 LYS 17 2HD LYS 17 0.282 -6.262 7.542 108 HE2 LYS 17 1HE LYS 17 3.068 -7.198 6.881 109 HE3 LYS 17 2HE LYS 17 2.578 -5.505 6.841 110 HZ1 LYS 17 1HZ LYS 17 3.645 -6.459 8.967 111 HZ2 LYS 17 2HZ LYS 17 2.114 -7.115 9.262 112 HZ3 LYS 17 3HZ LYS 17 2.302 -5.440 9.113 113 H VAL 18 H VAL 18 -0.064 -7.979 4.425 114 HA VAL 18 HA VAL 18 0.394 -10.724 3.452 115 HB VAL 18 HB VAL 18 0.788 -9.821 1.249 116 HG11 VAL 18 1HG1 VAL 18 -1.724 -9.286 2.682 117 HG12 VAL 18 2HG1 VAL 18 -1.540 -8.447 1.140 118 HG13 VAL 18 3HG1 VAL 18 -1.430 -10.206 1.206 119 HG21 VAL 18 1HG2 VAL 18 0.027 -7.069 2.123 120 HG22 VAL 18 2HG2 VAL 18 1.696 -7.608 2.301 121 HG23 VAL 18 3HG2 VAL 18 0.942 -7.585 0.707 122 H SER 19 H SER 19 2.500 -11.221 2.605 123 HA SER 19 HA SER 19 4.638 -9.523 3.717 124 HB2 SER 19 1HB SER 19 4.089 -11.874 4.795 125 HB3 SER 19 2HB SER 19 5.030 -12.475 3.431 126 HG SER 19 HG SER 19 6.791 -11.716 4.311 127 H LEU 20 H LEU 20 6.170 -8.899 2.335 128 HA LEU 20 HA LEU 20 6.676 -10.458 -0.082 129 HB2 LEU 20 1HB LEU 20 6.187 -7.491 -0.205 130 HB3 LEU 20 2HB LEU 20 6.453 -8.594 -1.554 131 HG LEU 20 HG LEU 20 4.070 -8.991 0.200 132 HD11 LEU 20 1HD1 LEU 20 4.381 -6.866 -1.906 133 HD12 LEU 20 2HD1 LEU 20 3.864 -6.673 -0.231 134 HD13 LEU 20 3HD1 LEU 20 2.816 -7.493 -1.389 135 HD21 LEU 20 1HD2 LEU 20 5.008 -9.775 -2.485 136 HD22 LEU 20 2HD2 LEU 20 3.288 -9.413 -2.338 137 HD23 LEU 20 3HD2 LEU 20 4.019 -10.657 -1.323 138 H THR 21 H THR 21 8.743 -10.247 -0.900 139 HA THR 21 HA THR 21 10.568 -8.488 0.603 140 HB THR 21 HB THR 21 11.256 -11.271 -0.357 141 HG1 THR 21 1HG THR 21 10.102 -11.762 1.377 142 HG21 THR 21 1HG2 THR 21 12.760 -9.057 0.910 143 HG22 THR 21 2HG2 THR 21 13.312 -10.317 -0.194 144 HG23 THR 21 3HG2 THR 21 13.083 -10.681 1.517 145 H PHE 22 H PHE 22 12.059 -7.384 -0.563 146 HA PHE 22 HA PHE 22 12.440 -8.066 -3.384 147 HB2 PHE 22 1HB PHE 22 11.775 -5.268 -2.446 148 HB3 PHE 22 2HB PHE 22 12.084 -5.772 -4.104 149 HD1 PHE 22 2HD PHE 22 10.423 -7.002 -5.362 150 HD2 PHE 22 1HD PHE 22 9.681 -5.769 -1.356 151 HE1 PHE 22 2HE PHE 22 8.024 -7.455 -5.670 152 HE2 PHE 22 1HE PHE 22 7.281 -6.221 -1.658 153 HZ PHE 22 HZ PHE 22 6.450 -7.064 -3.818 154 H THR 23 H THR 23 14.206 -6.608 -4.348 155 HA THR 23 HA THR 23 16.352 -6.341 -2.348 156 HB THR 23 HB THR 23 16.608 -6.875 -5.314 157 HG1 THR 23 1HG THR 23 17.589 -8.740 -3.563 158 HG21 THR 23 1HG2 THR 23 18.532 -5.669 -4.643 159 HG22 THR 23 2HG2 THR 23 19.006 -7.368 -4.639 160 HG23 THR 23 3HG2 THR 23 18.644 -6.549 -3.120 161 H THR 24 H THR 24 17.608 -4.513 -2.297 162 HA THR 24 HA THR 24 16.579 -2.059 -2.801 163 HB THR 24 HB THR 24 19.507 -2.797 -2.968 164 HG1 THR 24 1HG THR 24 18.302 -1.582 -0.741 165 HG21 THR 24 1HG2 THR 24 18.673 -0.495 -3.876 166 HG22 THR 24 2HG2 THR 24 20.065 -0.556 -2.795 167 HG23 THR 24 3HG2 THR 24 18.481 -0.103 -2.168 168 H SER 25 H SER 25 16.489 -0.597 -4.453 169 HA SER 25 HA SER 25 16.492 0.223 -6.577 170 HB2 SER 25 1HB SER 25 18.706 -1.763 -7.131 171 HB3 SER 25 2HB SER 25 18.329 -0.309 -8.056 172 HG SER 25 HG SER 25 20.089 -0.322 -6.319 173 H GLU 26 H GLU 26 14.548 -1.564 -6.034 174 HA GLU 26 HA GLU 26 14.284 -3.007 -8.581 175 HB2 GLU 26 1HB GLU 26 13.709 -4.035 -5.811 176 HB3 GLU 26 2HB GLU 26 12.936 -4.728 -7.230 177 HG2 GLU 26 1HG GLU 26 15.892 -4.470 -7.233 178 HG3 GLU 26 2HG GLU 26 15.160 -5.723 -6.232 179 H ARG 27 H ARG 27 11.836 -3.803 -8.698 180 HA ARG 27 HA ARG 27 10.239 -1.373 -8.322 181 HB2 ARG 27 1HB ARG 27 10.487 -2.406 -10.609 182 HB3 ARG 27 2HB ARG 27 9.570 -3.783 -10.013 183 HG2 ARG 27 1HG ARG 27 7.827 -1.935 -9.358 184 HG3 ARG 27 2HG ARG 27 8.667 -1.013 -10.607 185 HD2 ARG 27 1HD ARG 27 8.321 -2.988 -12.133 186 HD3 ARG 27 2HD ARG 27 7.265 -3.663 -10.892 187 HE ARG 27 HE ARG 27 6.572 -0.987 -11.697 188 HH11 ARG 27 2HH1 ARG 27 6.162 -4.383 -12.345 189 HH12 ARG 27 1HH1 ARG 27 4.646 -4.179 -13.157 190 HH21 ARG 27 2HH2 ARG 27 4.576 -0.705 -12.765 191 HH22 ARG 27 1HH2 ARG 27 3.745 -2.086 -13.397 192 H VAL 28 H VAL 28 8.773 -1.291 -6.763 193 HA VAL 28 HA VAL 28 7.694 -3.825 -5.709 194 HB VAL 28 HB VAL 28 8.183 -1.263 -4.184 195 HG11 VAL 28 1HG1 VAL 28 6.895 -2.040 -2.542 196 HG12 VAL 28 2HG1 VAL 28 6.301 -3.242 -3.690 197 HG13 VAL 28 3HG1 VAL 28 7.644 -3.635 -2.616 198 HG21 VAL 28 1HG2 VAL 28 9.707 -2.955 -2.893 199 HG22 VAL 28 2HG2 VAL 28 9.691 -3.827 -4.426 200 HG23 VAL 28 3HG2 VAL 28 10.291 -2.170 -4.360 201 H VAL 29 H VAL 29 5.651 -4.061 -6.321 202 HA VAL 29 HA VAL 29 3.881 -1.707 -6.232 203 HB VAL 29 HB VAL 29 4.043 -2.068 -8.526 204 HG11 VAL 29 1HG1 VAL 29 4.306 -4.934 -7.777 205 HG12 VAL 29 2HG1 VAL 29 3.673 -4.537 -9.375 206 HG13 VAL 29 3HG1 VAL 29 5.269 -3.964 -8.891 207 HG21 VAL 29 1HG2 VAL 29 1.709 -2.030 -7.738 208 HG22 VAL 29 2HG2 VAL 29 1.899 -2.960 -9.225 209 HG23 VAL 29 3HG2 VAL 29 1.716 -3.793 -7.681 210 H LEU 30 H LEU 30 2.342 -1.940 -4.761 211 HA LEU 30 HA LEU 30 1.664 -4.601 -3.784 212 HB2 LEU 30 1HB LEU 30 0.678 -1.943 -2.774 213 HB3 LEU 30 2HB LEU 30 0.603 -3.499 -1.948 214 HG LEU 30 HG LEU 30 3.206 -2.147 -2.617 215 HD11 LEU 30 1HD1 LEU 30 3.221 -1.006 -0.619 216 HD12 LEU 30 2HD1 LEU 30 1.986 -2.036 0.104 217 HD13 LEU 30 3HD1 LEU 30 1.535 -0.835 -1.107 218 HD21 LEU 30 1HD2 LEU 30 2.372 -4.605 -1.274 219 HD22 LEU 30 2HD2 LEU 30 3.516 -3.636 -0.344 220 HD23 LEU 30 3HD2 LEU 30 3.929 -4.165 -1.976 221 H THR 31 H THR 31 -0.858 -4.472 -2.968 222 HA THR 31 HA THR 31 -2.600 -3.445 -5.035 223 HB THR 31 HB THR 31 -2.547 -6.431 -4.586 224 HG1 THR 31 1HG THR 31 -1.441 -4.873 -6.702 225 HG21 THR 31 1HG2 THR 31 -4.500 -4.739 -5.640 226 HG22 THR 31 2HG2 THR 31 -4.422 -6.495 -5.795 227 HG23 THR 31 3HG2 THR 31 -3.722 -5.467 -7.045 228 H CYS 32 H CYS 32 -4.498 -2.889 -4.172 229 HA CYS 32 HA CYS 32 -5.441 -4.287 -1.772 230 HB2 CYS 32 1HB CYS 32 -4.215 -2.102 -1.236 231 HB3 CYS 32 2HB CYS 32 -5.572 -1.284 -2.002 232 HG CYS 32 HG CYS 32 -5.972 -3.417 0.639 233 H GLU 33 H GLU 33 -7.617 -4.570 -1.654 234 HA GLU 33 HA GLU 33 -9.219 -3.405 -3.837 235 HB2 GLU 33 1HB GLU 33 -8.709 -5.982 -3.738 236 HB3 GLU 33 2HB GLU 33 -9.979 -5.983 -2.522 237 HG2 GLU 33 1HG GLU 33 -11.604 -5.287 -4.046 238 HG3 GLU 33 2HG GLU 33 -10.402 -4.753 -5.219 239 H LEU 34 H LEU 34 -11.300 -2.703 -3.374 240 HA LEU 34 HA LEU 34 -12.039 -2.636 -0.525 241 HB2 LEU 34 1HB LEU 34 -11.839 -0.424 -2.504 242 HB3 LEU 34 2HB LEU 34 -13.122 -0.353 -1.298 243 HG LEU 34 HG LEU 34 -10.151 -0.413 -0.786 244 HD11 LEU 34 1HD1 LEU 34 -10.434 1.783 -1.133 245 HD12 LEU 34 2HD1 LEU 34 -11.172 1.769 0.468 246 HD13 LEU 34 3HD1 LEU 34 -12.187 1.687 -0.972 247 HD21 LEU 34 1HD2 LEU 34 -12.495 -0.808 1.014 248 HD22 LEU 34 2HD2 LEU 34 -11.082 0.058 1.617 249 HD23 LEU 34 3HD2 LEU 34 -10.917 -1.597 1.027 250 H SER 35 H SER 35 -14.423 -1.835 -0.336 251 HA SER 35 HA SER 35 -15.998 -3.444 -2.227 252 HB2 SER 35 1HB SER 35 -17.460 -3.975 -0.510 253 HB3 SER 35 2HB SER 35 -15.942 -3.839 0.377 254 HG SER 35 HG SER 35 -16.782 -1.456 0.454 255 H ARG 36 H ARG 36 -15.128 -0.686 -2.695 256 HA ARG 36 HA ARG 36 -17.700 0.395 -3.437 257 HB2 ARG 36 1HB ARG 36 -15.976 1.673 -1.341 258 HB3 ARG 36 2HB ARG 36 -16.972 2.670 -2.392 259 HG2 ARG 36 1HG ARG 36 -18.841 0.956 -1.622 260 HG3 ARG 36 2HG ARG 36 -17.764 0.804 -0.232 261 HD2 ARG 36 1HD ARG 36 -18.107 2.960 0.444 262 HD3 ARG 36 2HD ARG 36 -18.426 3.536 -1.192 263 HE ARG 36 HE ARG 36 -20.518 1.851 -0.508 264 HH11 ARG 36 2HH1 ARG 36 -19.161 4.862 0.592 265 HH12 ARG 36 1HH1 ARG 36 -20.671 5.479 1.176 266 HH21 ARG 36 2HH2 ARG 36 -22.512 2.652 0.257 267 HH22 ARG 36 1HH2 ARG 36 -22.576 4.221 0.987 268 H VAL 37 H VAL 37 -17.374 0.833 -5.511 269 HA VAL 37 HA VAL 37 -14.801 1.373 -6.612 270 HB VAL 37 HB VAL 37 -17.443 1.860 -7.980 271 HG11 VAL 37 1HG1 VAL 37 -16.236 1.487 -10.006 272 HG12 VAL 37 2HG1 VAL 37 -15.329 2.664 -9.053 273 HG13 VAL 37 3HG1 VAL 37 -14.796 0.983 -9.122 274 HG21 VAL 37 1HG2 VAL 37 -16.825 -0.507 -6.813 275 HG22 VAL 37 2HG2 VAL 37 -17.822 -0.342 -8.258 276 HG23 VAL 37 3HG2 VAL 37 -16.106 -0.723 -8.409 277 H ASP 38 H ASP 38 -14.063 3.280 -7.617 278 HA ASP 38 HA ASP 38 -13.597 5.509 -7.644 279 HB2 ASP 38 1HB ASP 38 -16.571 5.387 -7.950 280 HB3 ASP 38 2HB ASP 38 -15.794 6.958 -7.768 281 H PHE 39 H PHE 39 -13.182 4.622 -5.197 282 HA PHE 39 HA PHE 39 -14.460 6.602 -3.426 283 HB2 PHE 39 1HB PHE 39 -14.842 4.075 -3.003 284 HB3 PHE 39 2HB PHE 39 -13.177 4.071 -2.430 285 HD1 PHE 39 2HD PHE 39 -16.558 5.386 -1.825 286 HD2 PHE 39 1HD PHE 39 -12.590 5.018 -0.329 287 HE1 PHE 39 2HE PHE 39 -17.322 6.157 0.383 288 HE2 PHE 39 1HE PHE 39 -13.348 5.788 1.882 289 HZ PHE 39 HZ PHE 39 -15.717 6.359 2.240 290 HA PRO 40 HA PRO 40 -10.446 8.381 -2.976 291 HB2 PRO 40 1HB PRO 40 -10.941 9.865 -0.757 292 HB3 PRO 40 2HB PRO 40 -11.544 10.303 -2.360 293 HG2 PRO 40 1HG PRO 40 -12.965 8.927 -0.113 294 HG3 PRO 40 2HG PRO 40 -13.548 10.214 -1.183 295 HD2 PRO 40 1HD PRO 40 -14.207 7.612 -1.541 296 HD3 PRO 40 2HD PRO 40 -14.028 8.747 -2.894 297 H ALA 41 H ALA 41 -8.627 8.364 -1.561 298 HA ALA 41 HA ALA 41 -8.626 7.200 1.005 299 HB1 ALA 41 1HB ALA 41 -9.150 5.140 -0.153 300 HB2 ALA 41 2HB ALA 41 -7.767 5.361 -1.225 301 HB3 ALA 41 3HB ALA 41 -7.511 5.065 0.495 302 H THR 42 H THR 42 -6.225 6.358 1.479 303 HA THR 42 HA THR 42 -4.215 7.829 -0.003 304 HB THR 42 HB THR 42 -4.592 8.448 2.929 305 HG1 THR 42 1HG THR 42 -5.026 10.361 0.921 306 HG21 THR 42 1HG2 THR 42 -2.390 8.931 2.566 307 HG22 THR 42 2HG2 THR 42 -3.094 10.443 1.992 308 HG23 THR 42 3HG2 THR 42 -2.620 9.196 0.839 309 H TRP 43 H TRP 43 -2.035 7.326 0.685 310 HA TRP 43 HA TRP 43 -1.900 4.705 2.012 311 HB2 TRP 43 1HB TRP 43 -0.207 6.009 -0.103 312 HB3 TRP 43 2HB TRP 43 0.421 4.674 0.859 313 HD1 TRP 43 HD TRP 43 -2.319 5.449 -1.729 314 HE1 TRP 43 1HE TRP 43 -3.032 3.239 -2.839 315 HE3 TRP 43 3HE TRP 43 0.358 2.189 1.160 316 HZ2 TRP 43 2HZ TRP 43 -2.526 0.479 -2.531 317 HZ3 TRP 43 3HZ TRP 43 0.188 -0.219 0.686 318 HH2 TRP 43 HH TRP 43 -1.225 -1.055 -1.121 319 H TYR 44 H TYR 44 -0.228 4.278 3.513 320 HA TYR 44 HA TYR 44 1.301 6.561 4.504 321 HB2 TYR 44 1HB TYR 44 -0.636 4.953 6.172 322 HB3 TYR 44 2HB TYR 44 0.623 5.970 6.864 323 HD1 TYR 44 1HD TYR 44 -2.503 5.977 4.909 324 HD2 TYR 44 2HD TYR 44 0.394 8.350 6.928 325 HE1 TYR 44 1HE TYR 44 -4.006 7.919 4.770 326 HE2 TYR 44 2HE TYR 44 -1.101 10.298 6.796 327 HH TYR 44 HH TYR 44 -4.364 10.023 5.455 328 H LYS 45 H LYS 45 3.091 5.979 5.832 329 HA LYS 45 HA LYS 45 3.761 3.119 5.866 330 HB2 LYS 45 1HB LYS 45 4.846 4.285 3.919 331 HB3 LYS 45 2HB LYS 45 5.713 5.286 5.076 332 HG2 LYS 45 1HG LYS 45 6.401 2.915 6.041 333 HG3 LYS 45 2HG LYS 45 6.090 2.433 4.371 334 HD2 LYS 45 1HD LYS 45 7.802 3.730 3.537 335 HD3 LYS 45 2HD LYS 45 7.761 4.849 4.902 336 HE2 LYS 45 1HE LYS 45 8.490 2.661 6.218 337 HE3 LYS 45 2HE LYS 45 9.114 2.218 4.630 338 HZ1 LYS 45 1HZ LYS 45 9.733 4.890 5.645 339 HZ2 LYS 45 2HZ LYS 45 10.661 3.863 4.673 340 HZ3 LYS 45 3HZ LYS 45 10.548 3.579 6.337 341 H ASP 46 H ASP 46 4.589 2.430 7.742 342 HA ASP 46 HA ASP 46 5.024 2.514 9.995 343 HB2 ASP 46 1HB ASP 46 7.235 2.944 8.706 344 HB3 ASP 46 2HB ASP 46 7.076 4.596 9.295 345 H GLY 47 H GLY 47 2.911 4.266 9.267 346 HA2 GLY 47 1HA GLY 47 1.612 5.821 10.369 347 HA3 GLY 47 2HA GLY 47 2.869 5.933 11.592 348 H GLN 48 H GLN 48 3.384 6.498 8.164 349 HA GLN 48 HA GLN 48 3.564 9.383 8.672 350 HB2 GLN 48 1HB GLN 48 5.661 7.719 7.268 351 HB3 GLN 48 2HB GLN 48 5.656 9.476 7.348 352 HG2 GLN 48 1HG GLN 48 5.642 9.156 9.894 353 HG3 GLN 48 2HG GLN 48 6.121 7.497 9.543 354 HE21 GLN 48 1HE2 GLN 48 7.096 10.784 9.670 355 HE22 GLN 48 2HE2 GLN 48 8.761 10.538 9.280 356 H LYS 49 H LYS 49 2.382 10.466 7.255 357 HA LYS 49 HA LYS 49 1.051 9.293 5.093 358 HB2 LYS 49 1HB LYS 49 0.469 11.445 6.331 359 HB3 LYS 49 2HB LYS 49 1.671 12.236 5.319 360 HG2 LYS 49 1HG LYS 49 0.292 11.137 3.375 361 HG3 LYS 49 2HG LYS 49 -0.988 11.119 4.591 362 HD2 LYS 49 1HD LYS 49 -0.378 13.595 4.956 363 HD3 LYS 49 2HD LYS 49 0.455 13.467 3.405 364 HE2 LYS 49 1HE LYS 49 -1.619 14.184 2.728 365 HE3 LYS 49 2HE LYS 49 -1.817 12.436 2.614 366 HZ1 LYS 49 1HZ LYS 49 -3.627 12.817 3.849 367 HZ2 LYS 49 2HZ LYS 49 -3.086 14.323 4.396 368 HZ3 LYS 49 3HZ LYS 49 -2.548 12.906 5.149 369 H VAL 50 H VAL 50 1.477 9.109 2.952 370 HA VAL 50 HA VAL 50 4.212 9.697 2.105 371 HB VAL 50 HB VAL 50 3.851 8.199 0.272 372 HG11 VAL 50 1HG1 VAL 50 4.109 6.405 1.563 373 HG12 VAL 50 2HG1 VAL 50 3.707 7.436 2.938 374 HG13 VAL 50 3HG1 VAL 50 2.446 6.496 2.140 375 HG21 VAL 50 1HG2 VAL 50 1.051 8.793 0.795 376 HG22 VAL 50 2HG2 VAL 50 1.832 8.239 -0.686 377 HG23 VAL 50 3HG2 VAL 50 1.352 7.073 0.547 378 H GLU 51 H GLU 51 4.592 10.583 -0.052 379 HA GLU 51 HA GLU 51 2.476 12.465 -0.866 380 HB2 GLU 51 1HB GLU 51 5.441 12.862 -0.591 381 HB3 GLU 51 2HB GLU 51 4.497 13.870 -1.679 382 HG2 GLU 51 1HG GLU 51 4.478 15.151 0.206 383 HG3 GLU 51 2HG GLU 51 2.996 14.223 0.433 384 H GLU 52 H GLU 52 1.660 11.845 -2.751 385 HA GLU 52 HA GLU 52 2.729 10.018 -4.524 386 HB2 GLU 52 1HB GLU 52 0.800 12.289 -5.003 387 HB3 GLU 52 2HB GLU 52 1.181 11.081 -6.223 388 HG2 GLU 52 1HG GLU 52 -0.677 10.130 -5.354 389 HG3 GLU 52 2HG GLU 52 0.519 9.429 -4.266 390 H SER 53 H SER 53 4.400 10.059 -5.862 391 HA SER 53 HA SER 53 5.075 12.372 -7.412 392 HB2 SER 53 1HB SER 53 7.422 12.537 -6.521 393 HB3 SER 53 2HB SER 53 6.180 13.084 -5.395 394 HG SER 53 HG SER 53 6.928 10.405 -5.269 395 H GLU 54 H GLU 54 7.494 11.847 -8.350 396 HA GLU 54 HA GLU 54 7.142 9.675 -10.066 397 HB2 GLU 54 1HB GLU 54 9.337 10.106 -10.866 398 HB3 GLU 54 2HB GLU 54 8.662 11.663 -10.408 399 HG2 GLU 54 1HG GLU 54 9.905 11.605 -8.319 400 HG3 GLU 54 2HG GLU 54 10.558 10.023 -8.741 401 H LEU 55 H LEU 55 8.432 9.829 -6.866 402 HA LEU 55 HA LEU 55 9.691 7.212 -7.060 403 HB2 LEU 55 1HB LEU 55 9.439 9.193 -4.808 404 HB3 LEU 55 2HB LEU 55 10.209 7.617 -4.637 405 HG LEU 55 HG LEU 55 11.137 9.814 -6.486 406 HD11 LEU 55 1HD1 LEU 55 11.696 9.200 -3.668 407 HD12 LEU 55 2HD1 LEU 55 11.874 10.709 -4.562 408 HD13 LEU 55 3HD1 LEU 55 13.116 9.462 -4.680 409 HD21 LEU 55 1HD2 LEU 55 12.168 7.064 -5.858 410 HD22 LEU 55 2HD2 LEU 55 13.211 8.331 -6.505 411 HD23 LEU 55 3HD2 LEU 55 11.816 7.777 -7.432 412 H LEU 56 H LEU 56 6.674 8.555 -6.237 413 HA LEU 56 HA LEU 56 5.794 5.950 -5.214 414 HB2 LEU 56 1HB LEU 56 6.179 7.689 -3.385 415 HB3 LEU 56 2HB LEU 56 4.785 8.533 -4.058 416 HG LEU 56 HG LEU 56 4.447 5.676 -3.313 417 HD11 LEU 56 1HD1 LEU 56 3.797 6.648 -0.981 418 HD12 LEU 56 2HD1 LEU 56 4.968 7.900 -1.394 419 HD13 LEU 56 3HD1 LEU 56 5.471 6.211 -1.325 420 HD21 LEU 56 1HD2 LEU 56 2.542 7.805 -2.563 421 HD22 LEU 56 2HD2 LEU 56 2.250 6.206 -3.248 422 HD23 LEU 56 3HD2 LEU 56 2.773 7.530 -4.290 423 H VAL 57 H VAL 57 4.538 5.286 -6.849 424 HA VAL 57 HA VAL 57 2.667 7.189 -8.071 425 HB VAL 57 HB VAL 57 3.168 4.398 -9.067 426 HG11 VAL 57 1HG1 VAL 57 1.307 6.118 -9.835 427 HG12 VAL 57 2HG1 VAL 57 2.638 6.744 -10.811 428 HG13 VAL 57 3HG1 VAL 57 2.129 5.064 -10.985 429 HG21 VAL 57 1HG2 VAL 57 5.327 4.992 -9.314 430 HG22 VAL 57 2HG2 VAL 57 4.718 5.908 -10.693 431 HG23 VAL 57 3HG2 VAL 57 4.982 6.714 -9.146 432 H VAL 58 H VAL 58 0.483 6.890 -8.033 433 HA VAL 58 HA VAL 58 -0.541 4.537 -6.590 434 HB VAL 58 HB VAL 58 -1.679 7.310 -6.253 435 HG11 VAL 58 1HG1 VAL 58 -3.362 6.229 -5.291 436 HG12 VAL 58 2HG1 VAL 58 -2.550 4.681 -5.535 437 HG13 VAL 58 3HG1 VAL 58 -2.241 5.619 -4.073 438 HG21 VAL 58 1HG2 VAL 58 -0.635 7.053 -3.910 439 HG22 VAL 58 2HG2 VAL 58 0.424 5.869 -4.675 440 HG23 VAL 58 3HG2 VAL 58 0.409 7.537 -5.246 441 H LYS 59 H LYS 59 -1.885 3.436 -7.838 442 HA LYS 59 HA LYS 59 -3.357 4.863 -9.948 443 HB2 LYS 59 1HB LYS 59 -2.868 1.889 -9.758 444 HB3 LYS 59 2HB LYS 59 -3.474 2.785 -11.145 445 HG2 LYS 59 1HG LYS 59 -0.800 3.506 -10.075 446 HG3 LYS 59 2HG LYS 59 -0.964 2.002 -10.986 447 HD2 LYS 59 1HD LYS 59 -2.220 3.508 -12.705 448 HD3 LYS 59 2HD LYS 59 -1.374 4.824 -11.888 449 HE2 LYS 59 1HE LYS 59 0.102 4.289 -13.579 450 HE3 LYS 59 2HE LYS 59 0.727 3.331 -12.238 451 HZ1 LYS 59 1HZ LYS 59 0.617 2.036 -14.270 452 HZ2 LYS 59 2HZ LYS 59 -1.044 2.329 -14.403 453 HZ3 LYS 59 3HZ LYS 59 -0.448 1.408 -13.115 454 H MET 60 H MET 60 -5.504 3.778 -10.515 455 HA MET 60 HA MET 60 -6.883 2.592 -8.250 456 HB2 MET 60 1HB MET 60 -6.967 5.197 -8.166 457 HB3 MET 60 2HB MET 60 -8.127 5.030 -9.477 458 HG2 MET 60 1HG MET 60 -9.552 3.660 -8.070 459 HG3 MET 60 2HG MET 60 -8.376 3.758 -6.761 460 HE1 MET 60 1HE MET 60 -10.483 5.477 -9.203 461 HE2 MET 60 2HE MET 60 -11.709 6.017 -8.057 462 HE3 MET 60 3HE MET 60 -10.545 7.170 -8.711 463 H ASP 61 H ASP 61 -7.643 0.827 -9.238 464 HA ASP 61 HA ASP 61 -9.030 1.170 -11.816 465 HB2 ASP 61 1HB ASP 61 -7.238 -0.959 -10.774 466 HB3 ASP 61 2HB ASP 61 -8.597 -1.477 -11.768 467 H GLY 62 H GLY 62 -10.908 1.800 -10.500 468 HA2 GLY 62 1HA GLY 62 -12.839 1.361 -9.304 469 HA3 GLY 62 2HA GLY 62 -12.911 -0.014 -10.396 470 H ARG 63 H ARG 63 -12.220 1.064 -7.178 471 HA ARG 63 HA ARG 63 -12.029 -0.043 -5.200 472 HB2 ARG 63 1HB ARG 63 -13.084 -2.349 -6.845 473 HB3 ARG 63 2HB ARG 63 -12.893 -2.385 -5.098 474 HG2 ARG 63 1HG ARG 63 -14.441 -0.414 -4.985 475 HG3 ARG 63 2HG ARG 63 -14.750 -0.654 -6.706 476 HD2 ARG 63 1HD ARG 63 -15.196 -2.719 -4.553 477 HD3 ARG 63 2HD ARG 63 -16.454 -1.714 -5.271 478 HE ARG 63 HE ARG 63 -14.955 -3.225 -7.199 479 HH11 ARG 63 2HH1 ARG 63 -17.641 -3.284 -4.985 480 HH12 ARG 63 1HH1 ARG 63 -18.483 -4.537 -5.836 481 HH21 ARG 63 2HH2 ARG 63 -16.053 -4.875 -8.327 482 HH22 ARG 63 1HH2 ARG 63 -17.578 -5.442 -7.736 483 H LYS 64 H LYS 64 -9.845 -0.001 -7.234 484 HA LYS 64 HA LYS 64 -8.216 -2.134 -6.035 485 HB2 LYS 64 1HB LYS 64 -8.280 -1.333 -8.948 486 HB3 LYS 64 2HB LYS 64 -7.038 -2.357 -8.237 487 HG2 LYS 64 1HG LYS 64 -9.052 -3.813 -7.475 488 HG3 LYS 64 2HG LYS 64 -9.917 -2.950 -8.748 489 HD2 LYS 64 1HD LYS 64 -8.672 -3.896 -10.424 490 HD3 LYS 64 2HD LYS 64 -7.261 -4.131 -9.390 491 HE2 LYS 64 1HE LYS 64 -9.777 -5.663 -8.875 492 HE3 LYS 64 2HE LYS 64 -8.669 -6.184 -10.144 493 HZ1 LYS 64 1HZ LYS 64 -8.411 -7.100 -7.750 494 HZ2 LYS 64 2HZ LYS 64 -7.629 -5.630 -7.450 495 HZ3 LYS 64 3HZ LYS 64 -7.031 -6.680 -8.634 496 H HIS 65 H HIS 65 -7.012 -0.910 -4.683 497 HA HIS 65 HA HIS 65 -5.623 1.424 -5.819 498 HB2 HIS 65 1HB HIS 65 -6.126 0.762 -2.910 499 HB3 HIS 65 2HB HIS 65 -5.358 2.224 -3.523 500 HD1 HIS 65 1HD HIS 65 -6.863 4.131 -4.132 501 HD2 HIS 65 2HD HIS 65 -8.943 0.578 -3.573 502 HE1 HIS 65 1HE HIS 65 -9.297 4.758 -4.206 503 HE2 HIS 65 2HE HIS 65 -10.535 2.606 -3.780 504 H ARG 66 H ARG 66 -3.683 0.812 -6.542 505 HA ARG 66 HA ARG 66 -2.022 -0.862 -4.775 506 HB2 ARG 66 1HB ARG 66 -0.852 -1.532 -6.959 507 HB3 ARG 66 2HB ARG 66 -2.430 -2.235 -6.631 508 HG2 ARG 66 1HG ARG 66 -3.447 -1.096 -8.319 509 HG3 ARG 66 2HG ARG 66 -2.334 0.271 -8.216 510 HD2 ARG 66 1HD ARG 66 -0.567 -1.128 -9.212 511 HD3 ARG 66 2HD ARG 66 -1.722 -2.451 -9.362 512 HE ARG 66 HE ARG 66 -2.571 -0.020 -10.640 513 HH11 ARG 66 2HH1 ARG 66 -0.738 -2.958 -10.998 514 HH12 ARG 66 1HH1 ARG 66 -0.863 -2.980 -12.726 515 HH21 ARG 66 2HH2 ARG 66 -2.743 -0.038 -12.915 516 HH22 ARG 66 1HH2 ARG 66 -2.003 -1.318 -13.815 517 H LEU 67 H LEU 67 0.060 -0.223 -4.405 518 HA LEU 67 HA LEU 67 0.791 2.428 -5.446 519 HB2 LEU 67 1HB LEU 67 0.512 2.030 -2.950 520 HB3 LEU 67 2HB LEU 67 1.982 1.064 -3.048 521 HG LEU 67 HG LEU 67 1.814 3.982 -3.791 522 HD11 LEU 67 1HD1 LEU 67 1.583 4.221 -1.556 523 HD12 LEU 67 2HD1 LEU 67 3.325 3.950 -1.583 524 HD13 LEU 67 3HD1 LEU 67 2.232 2.619 -1.204 525 HD21 LEU 67 1HD2 LEU 67 3.739 3.465 -4.810 526 HD22 LEU 67 2HD2 LEU 67 3.874 1.914 -3.982 527 HD23 LEU 67 3HD2 LEU 67 4.408 3.392 -3.180 528 H ILE 68 H ILE 68 2.283 2.451 -6.979 529 HA ILE 68 HA ILE 68 4.110 0.181 -7.246 530 HB ILE 68 HB ILE 68 3.258 2.366 -9.119 531 HG12 ILE 68 1HG1 ILE 68 3.486 -0.529 -9.815 532 HG13 ILE 68 2HG1 ILE 68 2.181 -0.030 -8.744 533 HG21 ILE 68 1HG2 ILE 68 5.636 0.542 -9.446 534 HG22 ILE 68 2HG2 ILE 68 4.927 1.511 -10.737 535 HG23 ILE 68 3HG2 ILE 68 5.655 2.302 -9.340 536 HD11 ILE 68 1HD1 ILE 68 1.332 -0.058 -10.956 537 HD12 ILE 68 2HD1 ILE 68 1.512 1.632 -10.486 538 HD13 ILE 68 3HD1 ILE 68 2.696 0.884 -11.558 539 H LEU 69 H LEU 69 6.365 0.474 -7.513 540 HA LEU 69 HA LEU 69 7.456 3.085 -6.771 541 HB2 LEU 69 1HB LEU 69 7.807 0.518 -5.278 542 HB3 LEU 69 2HB LEU 69 9.097 1.720 -5.283 543 HG LEU 69 HG LEU 69 6.315 2.462 -4.447 544 HD11 LEU 69 1HD1 LEU 69 7.060 0.454 -3.160 545 HD12 LEU 69 2HD1 LEU 69 6.795 1.897 -2.181 546 HD13 LEU 69 3HD1 LEU 69 8.436 1.399 -2.592 547 HD21 LEU 69 1HD2 LEU 69 8.659 3.884 -4.803 548 HD22 LEU 69 2HD2 LEU 69 8.586 3.621 -3.061 549 HD23 LEU 69 3HD2 LEU 69 7.244 4.409 -3.891 550 HA PRO 70 HA PRO 70 10.052 1.854 -10.183 551 HB2 PRO 70 1HB PRO 70 11.493 4.153 -10.264 552 HB3 PRO 70 2HB PRO 70 9.855 4.022 -10.917 553 HG2 PRO 70 1HG PRO 70 10.764 5.132 -8.289 554 HG3 PRO 70 2HG PRO 70 9.555 5.773 -9.416 555 HD2 PRO 70 1HD PRO 70 8.880 4.393 -7.187 556 HD3 PRO 70 2HD PRO 70 7.916 4.331 -8.676 557 H GLU 71 H GLU 71 11.305 3.304 -7.197 558 HA GLU 71 HA GLU 71 13.659 1.548 -7.433 559 HB2 GLU 71 1HB GLU 71 13.910 4.170 -7.710 560 HB3 GLU 71 2HB GLU 71 13.861 4.132 -5.953 561 HG2 GLU 71 1HG GLU 71 15.763 2.618 -5.916 562 HG3 GLU 71 2HG GLU 71 15.802 2.610 -7.678 563 H ALA 72 H ALA 72 13.678 0.075 -5.882 564 HA ALA 72 HA ALA 72 12.100 0.451 -3.475 565 HB1 ALA 72 1HB ALA 72 12.355 -1.850 -3.091 566 HB2 ALA 72 2HB ALA 72 12.195 -1.696 -4.841 567 HB3 ALA 72 3HB ALA 72 13.784 -1.950 -4.119 568 H LYS 73 H LYS 73 13.236 2.014 -2.319 569 HA LYS 73 HA LYS 73 16.026 1.600 -1.673 570 HB2 LYS 73 1HB LYS 73 14.110 3.667 -0.582 571 HB3 LYS 73 2HB LYS 73 15.864 3.695 -0.461 572 HG2 LYS 73 1HG LYS 73 16.008 3.889 -2.909 573 HG3 LYS 73 2HG LYS 73 14.246 3.931 -2.989 574 HD2 LYS 73 1HD LYS 73 14.167 5.988 -1.779 575 HD3 LYS 73 2HD LYS 73 15.890 5.897 -1.403 576 HE2 LYS 73 1HE LYS 73 14.980 5.937 -4.250 577 HE3 LYS 73 2HE LYS 73 15.054 7.439 -3.331 578 HZ1 LYS 73 1HZ LYS 73 17.103 7.077 -4.526 579 HZ2 LYS 73 2HZ LYS 73 17.310 5.565 -3.797 580 HZ3 LYS 73 3HZ LYS 73 17.392 6.972 -2.862 581 H VAL 74 H VAL 74 16.864 1.120 0.351 582 HA VAL 74 HA VAL 74 15.712 -0.808 1.885 583 HB VAL 74 HB VAL 74 17.604 1.341 2.850 584 HG11 VAL 74 1HG1 VAL 74 16.529 -1.117 4.139 585 HG12 VAL 74 2HG1 VAL 74 18.211 -0.673 4.436 586 HG13 VAL 74 3HG1 VAL 74 16.915 0.453 4.844 587 HG21 VAL 74 1HG2 VAL 74 18.395 0.011 0.922 588 HG22 VAL 74 2HG2 VAL 74 19.358 -0.252 2.376 589 HG23 VAL 74 3HG2 VAL 74 18.172 -1.457 1.874 590 H GLN 75 H GLN 75 15.282 2.668 2.191 591 HA GLN 75 HA GLN 75 13.962 2.680 4.677 592 HB2 GLN 75 1HB GLN 75 13.697 4.599 2.356 593 HB3 GLN 75 2HB GLN 75 13.123 4.901 3.990 594 HG2 GLN 75 1HG GLN 75 15.616 4.419 4.626 595 HG3 GLN 75 2HG GLN 75 15.904 4.837 2.938 596 HE21 GLN 75 1HE2 GLN 75 16.532 6.853 2.740 597 HE22 GLN 75 2HE2 GLN 75 15.944 8.203 3.644 598 H ASP 76 H ASP 76 12.812 2.216 1.386 599 HA ASP 76 HA ASP 76 10.073 2.465 1.788 600 HB2 ASP 76 1HB ASP 76 11.192 2.202 -0.425 601 HB3 ASP 76 2HB ASP 76 11.435 0.496 -0.059 602 H SER 77 H SER 77 12.247 -0.038 2.767 603 HA SER 77 HA SER 77 10.416 -2.156 3.072 604 HB2 SER 77 1HB SER 77 12.114 -3.277 4.236 605 HB3 SER 77 2HB SER 77 13.007 -2.180 3.183 606 HG SER 77 HG SER 77 13.742 -1.185 4.880 607 H GLY 78 H GLY 78 8.565 -1.849 4.166 608 HA2 GLY 78 1HA GLY 78 8.527 -1.744 6.963 609 HA3 GLY 78 2HA GLY 78 8.237 -0.117 6.365 610 H GLU 79 H GLU 79 6.245 -0.943 7.773 611 HA GLU 79 HA GLU 79 4.333 -2.497 6.279 612 HB2 GLU 79 1HB GLU 79 4.590 -2.326 8.853 613 HB3 GLU 79 2HB GLU 79 3.673 -0.835 8.693 614 HG2 GLU 79 1HG GLU 79 1.865 -2.111 7.595 615 HG3 GLU 79 2HG GLU 79 2.775 -3.591 7.887 616 H PHE 80 H PHE 80 2.833 -1.771 4.912 617 HA PHE 80 HA PHE 80 2.500 1.141 4.657 618 HB2 PHE 80 1HB PHE 80 2.502 -1.099 2.687 619 HB3 PHE 80 2HB PHE 80 1.487 0.299 2.350 620 HD1 PHE 80 1HD PHE 80 4.974 -0.669 3.176 621 HD2 PHE 80 2HD PHE 80 2.396 2.206 1.386 622 HE1 PHE 80 1HE PHE 80 6.932 0.531 2.292 623 HE2 PHE 80 2HE PHE 80 4.350 3.410 0.498 624 HZ PHE 80 HZ PHE 80 6.621 2.572 0.950 625 H GLU 81 H GLU 81 0.536 2.055 4.871 626 HA GLU 81 HA GLU 81 -1.777 0.258 5.193 627 HB2 GLU 81 1HB GLU 81 -1.135 1.093 7.373 628 HB3 GLU 81 2HB GLU 81 -1.104 2.744 6.771 629 HG2 GLU 81 1HG GLU 81 -3.638 1.220 6.533 630 HG3 GLU 81 2HG GLU 81 -3.152 1.792 8.128 631 H CYS 82 H CYS 82 -3.767 0.987 4.430 632 HA CYS 82 HA CYS 82 -3.681 3.428 2.784 633 HB2 CYS 82 1HB CYS 82 -3.573 1.459 1.337 634 HB3 CYS 82 2HB CYS 82 -5.016 0.801 2.099 635 HG CYS 82 HG CYS 82 -4.794 3.477 -0.004 636 H ARG 83 H ARG 83 -4.803 4.775 4.109 637 HA ARG 83 HA ARG 83 -7.232 3.907 5.414 638 HB2 ARG 83 1HB ARG 83 -5.453 5.622 6.262 639 HB3 ARG 83 2HB ARG 83 -6.339 6.765 5.261 640 HG2 ARG 83 1HG ARG 83 -8.413 5.849 6.556 641 HG3 ARG 83 2HG ARG 83 -7.199 5.348 7.736 642 HD2 ARG 83 1HD ARG 83 -6.367 7.666 7.824 643 HD3 ARG 83 2HD ARG 83 -7.634 8.146 6.695 644 HE ARG 83 HE ARG 83 -8.703 6.846 8.993 645 HH11 ARG 83 2HH1 ARG 83 -7.428 9.872 7.835 646 HH12 ARG 83 1HH1 ARG 83 -8.303 10.830 8.983 647 HH21 ARG 83 2HH2 ARG 83 -9.859 8.096 10.511 648 HH22 ARG 83 1HH2 ARG 83 -9.684 9.819 10.506 649 H THR 84 H THR 84 -9.174 3.951 4.514 650 HA THR 84 HA THR 84 -9.617 5.727 2.205 651 HB THR 84 HB THR 84 -10.081 3.749 1.209 652 HG1 THR 84 1HG THR 84 -12.497 3.532 2.590 653 HG21 THR 84 1HG2 THR 84 -9.355 2.192 2.766 654 HG22 THR 84 2HG2 THR 84 -11.065 1.788 2.612 655 HG23 THR 84 3HG2 THR 84 -10.503 2.731 3.991 656 H GLU 85 H GLU 85 -11.843 3.981 4.356 657 HA GLU 85 HA GLU 85 -13.110 6.562 4.999 658 HB2 GLU 85 1HB GLU 85 -14.477 5.232 3.428 659 HB3 GLU 85 2HB GLU 85 -14.499 3.909 4.585 660 HG2 GLU 85 1HG GLU 85 -16.562 5.285 4.563 661 HG3 GLU 85 2HG GLU 85 -15.775 5.183 6.138 662 H GLY 86 H GLY 86 -13.523 3.202 6.116 663 HA2 GLY 86 1HA GLY 86 -12.916 4.153 8.847 664 HA3 GLY 86 2HA GLY 86 -14.260 3.071 8.517 665 H VAL 87 H VAL 87 -12.118 2.005 6.401 666 HA VAL 87 HA VAL 87 -10.800 0.204 8.329 667 HB VAL 87 HB VAL 87 -10.832 -1.490 6.433 668 HG11 VAL 87 1HG1 VAL 87 -13.247 -0.586 7.948 669 HG12 VAL 87 2HG1 VAL 87 -13.353 -1.956 6.840 670 HG13 VAL 87 3HG1 VAL 87 -12.233 -2.006 8.202 671 HG21 VAL 87 1HG2 VAL 87 -12.451 -1.233 4.686 672 HG22 VAL 87 2HG2 VAL 87 -13.024 0.288 5.371 673 HG23 VAL 87 3HG2 VAL 87 -11.406 0.187 4.676 674 H SER 88 H SER 88 -8.908 -0.994 7.177 675 HA SER 88 HA SER 88 -7.512 0.481 5.152 676 HB2 SER 88 1HB SER 88 -6.020 0.375 7.743 677 HB3 SER 88 2HB SER 88 -5.817 1.472 6.378 678 HG SER 88 HG SER 88 -6.953 2.790 7.554 679 H ALA 89 H ALA 89 -5.699 -0.622 4.348 680 HA ALA 89 HA ALA 89 -5.567 -3.432 5.186 681 HB1 ALA 89 1HB ALA 89 -4.887 -3.986 3.021 682 HB2 ALA 89 2HB ALA 89 -6.105 -2.732 2.781 683 HB3 ALA 89 3HB ALA 89 -4.392 -2.333 2.654 684 H PHE 90 H PHE 90 -3.380 -4.479 4.918 685 HA PHE 90 HA PHE 90 -1.186 -2.657 5.616 686 HB2 PHE 90 1HB PHE 90 -1.988 -5.152 7.120 687 HB3 PHE 90 2HB PHE 90 -0.435 -4.349 7.326 688 HD1 PHE 90 1HD PHE 90 -4.075 -3.984 7.764 689 HD2 PHE 90 2HD PHE 90 -0.226 -2.390 8.636 690 HE1 PHE 90 1HE PHE 90 -5.079 -2.484 9.436 691 HE2 PHE 90 2HE PHE 90 -1.224 -0.888 10.310 692 HZ PHE 90 HZ PHE 90 -3.653 -0.935 10.713 693 H PHE 91 H PHE 91 0.821 -3.250 4.884 694 HA PHE 91 HA PHE 91 1.120 -5.840 3.561 695 HB2 PHE 91 1HB PHE 91 1.898 -3.274 2.173 696 HB3 PHE 91 2HB PHE 91 1.909 -4.903 1.506 697 HD1 PHE 91 2HD PHE 91 -0.317 -2.218 2.747 698 HD2 PHE 91 1HD PHE 91 0.017 -5.785 0.449 699 HE1 PHE 91 2HE PHE 91 -2.599 -1.878 1.894 700 HE2 PHE 91 1HE PHE 91 -2.264 -5.451 -0.408 701 HZ PHE 91 HZ PHE 91 -3.576 -3.496 0.315 702 H GLY 92 H GLY 92 2.973 -6.754 4.145 703 HA2 GLY 92 1HA GLY 92 5.002 -5.111 5.456 704 HA3 GLY 92 2HA GLY 92 4.910 -6.865 5.482 705 H VAL 93 H VAL 93 6.485 -4.214 4.178 706 HA VAL 93 HA VAL 93 7.517 -5.784 1.911 707 HB VAL 93 HB VAL 93 7.672 -2.801 2.369 708 HG11 VAL 93 1HG1 VAL 93 8.226 -4.018 -0.272 709 HG12 VAL 93 2HG1 VAL 93 8.934 -2.595 0.495 710 HG13 VAL 93 3HG1 VAL 93 9.459 -4.209 0.974 711 HG21 VAL 93 1HG2 VAL 93 5.810 -4.539 0.816 712 HG22 VAL 93 2HG2 VAL 93 5.463 -3.117 1.800 713 HG23 VAL 93 3HG2 VAL 93 6.200 -2.930 0.209 714 H THR 94 H THR 94 9.641 -6.279 1.769 715 HA THR 94 HA THR 94 11.464 -5.162 3.789 716 HB THR 94 HB THR 94 11.222 -8.081 3.036 717 HG1 THR 94 1HG THR 94 10.991 -6.832 5.585 718 HG21 THR 94 1HG2 THR 94 13.002 -7.715 5.195 719 HG22 THR 94 2HG2 THR 94 13.498 -6.588 3.931 720 HG23 THR 94 3HG2 THR 94 13.371 -8.311 3.577 721 H VAL 95 H VAL 95 12.934 -4.051 2.681 722 HA VAL 95 HA VAL 95 13.834 -5.060 0.076 723 HB VAL 95 HB VAL 95 14.353 -2.347 1.296 724 HG11 VAL 95 1HG1 VAL 95 14.930 -1.715 -1.009 725 HG12 VAL 95 2HG1 VAL 95 15.985 -2.985 -0.386 726 HG13 VAL 95 3HG1 VAL 95 14.691 -3.387 -1.516 727 HG21 VAL 95 1HG2 VAL 95 12.039 -2.377 0.999 728 HG22 VAL 95 2HG2 VAL 95 12.641 -1.648 -0.490 729 HG23 VAL 95 3HG2 VAL 95 12.144 -3.341 -0.474 730 H GLN 96 H GLN 96 15.535 -6.375 0.245 731 HA GLN 96 HA GLN 96 17.621 -5.752 2.216 732 HB2 GLN 96 1HB GLN 96 16.803 -8.287 0.826 733 HB3 GLN 96 2HB GLN 96 18.395 -8.135 1.558 734 HG2 GLN 96 1HG GLN 96 17.263 -7.554 3.706 735 HG3 GLN 96 2HG GLN 96 15.729 -7.949 2.933 736 HE21 GLN 96 1HE2 GLN 96 15.037 -9.858 3.544 737 HE22 GLN 96 2HE2 GLN 96 16.006 -11.266 3.797 738 H ASP 97 H ASP 97 19.467 -4.895 1.547 739 HA ASP 97 HA ASP 97 19.993 -4.292 -1.150 740 HB2 ASP 97 1HB ASP 97 22.134 -3.464 -0.383 741 HB3 ASP 97 2HB ASP 97 20.895 -3.018 0.787 742 HA PRO 98 HA PRO 98 21.676 -8.115 -2.588 743 HB2 PRO 98 1HB PRO 98 22.818 -7.172 -4.864 744 HB3 PRO 98 2HB PRO 98 21.074 -7.402 -4.687 745 HG2 PRO 98 1HG PRO 98 22.688 -4.893 -4.442 746 HG3 PRO 98 2HG PRO 98 21.130 -5.147 -5.251 747 HD2 PRO 98 1HD PRO 98 21.329 -4.036 -2.789 748 HD3 PRO 98 2HD PRO 98 19.944 -5.033 -3.278 749 H SER 99 H SER 99 23.931 -8.611 -3.858 750 HA SER 99 HA SER 99 26.089 -7.393 -2.268 751 HB2 SER 99 1HB SER 99 25.733 -9.515 -1.244 752 HB3 SER 99 2HB SER 99 25.588 -10.323 -2.804 753 HG SER 99 HG SER 99 27.965 -8.970 -2.301 754 H GLY 100 H GLY 100 26.794 -6.101 -3.954 755 HA2 GLY 100 1HA GLY 100 28.553 -7.342 -5.823 756 HA3 GLY 100 2HA GLY 100 27.095 -6.765 -6.617 757 HA PRO 101 HA PRO 101 30.365 -3.358 -5.975 758 HB2 PRO 101 1HB PRO 101 31.319 -3.231 -8.514 759 HB3 PRO 101 2HB PRO 101 32.034 -4.262 -7.269 760 HG2 PRO 101 1HG PRO 101 30.125 -4.983 -9.460 761 HG3 PRO 101 2HG PRO 101 31.562 -5.857 -8.894 762 HD2 PRO 101 1HD PRO 101 29.050 -6.560 -8.169 763 HD3 PRO 101 2HD PRO 101 30.449 -6.778 -7.098 764 H SER 102 H SER 102 29.114 -1.595 -5.875 765 HA SER 102 HA SER 102 27.785 -0.699 -8.339 766 HB2 SER 102 1HB SER 102 26.151 -1.726 -6.704 767 HB3 SER 102 2HB SER 102 26.554 -0.418 -5.591 768 HG SER 102 HG SER 102 25.826 0.265 -8.197 769 H SER 103 H SER 103 28.543 1.214 -8.919 770 HA SER 103 HA SER 103 30.019 2.849 -7.053 771 HB2 SER 103 1HB SER 103 30.507 4.258 -9.004 772 HB3 SER 103 2HB SER 103 30.816 2.560 -9.367 773 HG SER 103 HG SER 103 29.352 2.651 -10.862 774 H GLY 104 H GLY 104 28.342 3.452 -5.598 775 HA2 GLY 104 1HA GLY 104 26.053 4.921 -6.536 776 HA3 GLY 104 2HA GLY 104 26.524 4.678 -4.860 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -25.488 9.003 -3.732 2 HA2 GLY 1 1HA GLY 1 -26.857 6.487 -4.325 3 HA3 GLY 1 2HA GLY 1 -25.256 6.383 -3.609 4 H SER 2 H SER 2 -28.322 8.125 -3.075 5 HA SER 2 HA SER 2 -27.941 8.616 -0.353 6 HB2 SER 2 1HB SER 2 -29.673 9.760 -1.625 7 HB3 SER 2 2HB SER 2 -30.524 8.238 -1.888 8 HG SER 2 HG SER 2 -30.501 8.193 0.561 9 H SER 3 H SER 3 -27.008 6.623 0.412 10 HA SER 3 HA SER 3 -29.067 4.647 1.133 11 HB2 SER 3 1HB SER 3 -26.316 4.181 0.022 12 HB3 SER 3 2HB SER 3 -27.058 2.981 1.080 13 HG SER 3 HG SER 3 -28.345 4.018 -1.219 14 H GLY 4 H GLY 4 -28.322 3.256 3.021 15 HA2 GLY 4 1HA GLY 4 -26.370 4.410 4.799 16 HA3 GLY 4 2HA GLY 4 -28.028 4.699 5.306 17 H SER 5 H SER 5 -26.375 1.885 3.875 18 HA SER 5 HA SER 5 -27.670 0.177 5.851 19 HB2 SER 5 1HB SER 5 -26.276 -0.291 3.242 20 HB3 SER 5 2HB SER 5 -26.415 -1.621 4.392 21 HG SER 5 HG SER 5 -28.253 -0.710 2.713 22 H SER 6 H SER 6 -26.486 -1.385 7.082 23 HA SER 6 HA SER 6 -24.255 -0.330 8.413 24 HB2 SER 6 1HB SER 6 -24.096 -2.556 9.494 25 HB3 SER 6 2HB SER 6 -25.747 -1.935 9.485 26 HG SER 6 HG SER 6 -25.715 -3.243 7.333 27 H GLY 7 H GLY 7 -22.370 0.031 7.416 28 HA2 GLY 7 1HA GLY 7 -20.257 -1.116 6.883 29 HA3 GLY 7 2HA GLY 7 -21.201 -2.204 5.876 30 HA PRO 8 HA PRO 8 -20.826 2.134 3.689 31 HB2 PRO 8 1HB PRO 8 -18.604 3.521 4.403 32 HB3 PRO 8 2HB PRO 8 -20.167 3.736 5.199 33 HG2 PRO 8 1HG PRO 8 -17.801 2.125 6.075 34 HG3 PRO 8 2HG PRO 8 -18.850 3.185 7.034 35 HD2 PRO 8 1HD PRO 8 -19.114 0.490 7.031 36 HD3 PRO 8 2HD PRO 8 -20.497 1.585 7.234 37 H VAL 9 H VAL 9 -17.720 0.700 4.701 38 HA VAL 9 HA VAL 9 -17.218 -0.259 2.033 39 HB VAL 9 HB VAL 9 -16.463 2.179 2.045 40 HG11 VAL 9 1HG1 VAL 9 -14.498 2.799 3.169 41 HG12 VAL 9 2HG1 VAL 9 -15.447 1.924 4.372 42 HG13 VAL 9 3HG1 VAL 9 -14.095 1.129 3.564 43 HG21 VAL 9 1HG2 VAL 9 -14.789 -0.166 1.269 44 HG22 VAL 9 2HG2 VAL 9 -15.666 0.975 0.250 45 HG23 VAL 9 3HG2 VAL 9 -14.162 1.465 1.029 46 H HIS 10 H HIS 10 -16.077 -2.092 2.124 47 HA HIS 10 HA HIS 10 -14.372 -2.581 4.467 48 HB2 HIS 10 1HB HIS 10 -15.201 -4.864 4.640 49 HB3 HIS 10 2HB HIS 10 -16.538 -3.727 4.792 50 HD1 HIS 10 1HD HIS 10 -17.729 -3.285 2.263 51 HD2 HIS 10 2HD HIS 10 -15.824 -6.903 2.996 52 HE1 HIS 10 1HE HIS 10 -18.664 -4.892 0.569 53 HE2 HIS 10 2HE HIS 10 -17.559 -7.095 1.088 54 H ILE 11 H ILE 11 -12.542 -3.810 4.108 55 HA ILE 11 HA ILE 11 -11.606 -3.876 1.392 56 HB ILE 11 HB ILE 11 -10.359 -4.653 4.016 57 HG12 ILE 11 1HG1 ILE 11 -9.318 -2.653 2.036 58 HG13 ILE 11 2HG1 ILE 11 -10.644 -2.219 3.109 59 HG21 ILE 11 1HG2 ILE 11 -8.248 -4.979 2.665 60 HG22 ILE 11 2HG2 ILE 11 -9.460 -6.252 2.527 61 HG23 ILE 11 3HG2 ILE 11 -9.282 -5.061 1.239 62 HD11 ILE 11 1HD1 ILE 11 -8.791 -3.340 4.807 63 HD12 ILE 11 2HD1 ILE 11 -7.809 -2.438 3.651 64 HD13 ILE 11 3HD1 ILE 11 -9.079 -1.618 4.559 65 H LEU 12 H LEU 12 -11.435 -5.577 0.050 66 HA LEU 12 HA LEU 12 -12.542 -8.128 0.969 67 HB2 LEU 12 1HB LEU 12 -11.877 -7.615 -1.882 68 HB3 LEU 12 2HB LEU 12 -13.196 -8.552 -1.184 69 HG LEU 12 HG LEU 12 -13.022 -5.559 -1.480 70 HD11 LEU 12 1HD1 LEU 12 -13.924 -7.509 -3.208 71 HD12 LEU 12 2HD1 LEU 12 -14.346 -5.798 -3.254 72 HD13 LEU 12 3HD1 LEU 12 -15.396 -6.942 -2.418 73 HD21 LEU 12 1HD2 LEU 12 -14.018 -6.507 0.727 74 HD22 LEU 12 2HD2 LEU 12 -15.376 -6.972 -0.298 75 HD23 LEU 12 3HD2 LEU 12 -14.904 -5.276 -0.174 76 H SER 13 H SER 13 -9.665 -6.701 -0.446 77 HA SER 13 HA SER 13 -8.127 -9.031 0.343 78 HB2 SER 13 1HB SER 13 -7.053 -9.225 -1.905 79 HB3 SER 13 2HB SER 13 -8.758 -9.674 -1.905 80 HG SER 13 HG SER 13 -9.004 -8.217 -3.382 81 HA PRO 14 HA PRO 14 -6.089 -9.719 0.345 82 HB2 PRO 14 1HB PRO 14 -4.508 -9.633 2.550 83 HB3 PRO 14 2HB PRO 14 -3.880 -9.439 0.910 84 HG2 PRO 14 1HG PRO 14 -4.530 -7.346 2.949 85 HG3 PRO 14 2HG PRO 14 -3.128 -7.458 1.868 86 HD2 PRO 14 1HD PRO 14 -5.237 -5.839 1.355 87 HD3 PRO 14 2HD PRO 14 -4.290 -6.611 0.067 88 H GLN 15 H GLN 15 -6.036 -10.936 2.718 89 HA GLN 15 HA GLN 15 -8.574 -10.121 3.946 90 HB2 GLN 15 1HB GLN 15 -7.137 -12.775 3.884 91 HB3 GLN 15 2HB GLN 15 -8.575 -12.473 4.849 92 HG2 GLN 15 1HG GLN 15 -9.888 -12.080 2.893 93 HG3 GLN 15 2HG GLN 15 -8.458 -12.137 1.864 94 HE21 GLN 15 1HE2 GLN 15 -7.434 -14.139 1.511 95 HE22 GLN 15 2HE2 GLN 15 -8.276 -15.629 1.742 96 H ASP 16 H ASP 16 -5.209 -10.474 4.558 97 HA ASP 16 HA ASP 16 -5.471 -9.263 7.142 98 HB2 ASP 16 1HB ASP 16 -4.142 -11.183 8.249 99 HB3 ASP 16 2HB ASP 16 -5.876 -11.396 8.021 100 H LYS 17 H LYS 17 -3.376 -8.760 8.107 101 HA LYS 17 HA LYS 17 -1.601 -7.488 6.583 102 HB2 LYS 17 1HB LYS 17 -1.628 -7.997 9.175 103 HB3 LYS 17 2HB LYS 17 -0.406 -9.182 8.734 104 HG2 LYS 17 1HG LYS 17 0.646 -7.116 7.477 105 HG3 LYS 17 2HG LYS 17 -0.287 -6.217 8.677 106 HD2 LYS 17 1HD LYS 17 0.926 -7.066 10.449 107 HD3 LYS 17 2HD LYS 17 1.423 -8.504 9.554 108 HE2 LYS 17 1HE LYS 17 3.152 -7.427 8.515 109 HE3 LYS 17 2HE LYS 17 2.352 -5.857 8.573 110 HZ1 LYS 17 1HZ LYS 17 2.760 -6.443 11.186 111 HZ2 LYS 17 2HZ LYS 17 3.740 -5.435 10.247 112 HZ3 LYS 17 3HZ LYS 17 4.155 -7.061 10.456 113 H VAL 18 H VAL 18 -0.157 -7.906 5.037 114 HA VAL 18 HA VAL 18 0.532 -10.720 4.519 115 HB VAL 18 HB VAL 18 1.075 -9.977 2.213 116 HG11 VAL 18 1HG1 VAL 18 -1.010 -10.918 2.249 117 HG12 VAL 18 2HG1 VAL 18 -1.648 -9.733 3.390 118 HG13 VAL 18 3HG1 VAL 18 -1.418 -9.294 1.697 119 HG21 VAL 18 1HG2 VAL 18 -0.211 -7.366 2.994 120 HG22 VAL 18 2HG2 VAL 18 1.531 -7.600 2.851 121 HG23 VAL 18 3HG2 VAL 18 0.496 -7.792 1.436 122 H SER 19 H SER 19 2.703 -10.981 3.387 123 HA SER 19 HA SER 19 4.713 -9.087 4.360 124 HB2 SER 19 1HB SER 19 4.330 -11.106 5.951 125 HB3 SER 19 2HB SER 19 5.171 -12.038 4.713 126 HG SER 19 HG SER 19 6.324 -9.647 5.592 127 H LEU 20 H LEU 20 6.210 -8.657 2.872 128 HA LEU 20 HA LEU 20 6.750 -10.633 0.773 129 HB2 LEU 20 1HB LEU 20 6.485 -7.717 0.131 130 HB3 LEU 20 2HB LEU 20 6.521 -9.089 -0.975 131 HG LEU 20 HG LEU 20 4.248 -8.865 0.938 132 HD11 LEU 20 1HD1 LEU 20 3.307 -7.060 0.031 133 HD12 LEU 20 2HD1 LEU 20 3.751 -7.543 -1.606 134 HD13 LEU 20 3HD1 LEU 20 4.912 -6.683 -0.595 135 HD21 LEU 20 1HD2 LEU 20 4.226 -10.814 -0.368 136 HD22 LEU 20 2HD2 LEU 20 4.703 -9.947 -1.827 137 HD23 LEU 20 3HD2 LEU 20 3.085 -9.728 -1.161 138 H THR 21 H THR 21 8.721 -9.990 -0.530 139 HA THR 21 HA THR 21 10.635 -8.364 0.962 140 HB THR 21 HB THR 21 11.452 -11.120 0.070 141 HG1 THR 21 1HG THR 21 11.089 -11.800 2.212 142 HG21 THR 21 1HG2 THR 21 12.656 -8.879 1.581 143 HG22 THR 21 2HG2 THR 21 13.410 -10.057 0.507 144 HG23 THR 21 3HG2 THR 21 13.011 -10.503 2.166 145 H PHE 22 H PHE 22 12.021 -7.279 -0.322 146 HA PHE 22 HA PHE 22 12.354 -8.141 -3.102 147 HB2 PHE 22 1HB PHE 22 11.577 -5.340 -2.264 148 HB3 PHE 22 2HB PHE 22 12.011 -5.827 -3.899 149 HD1 PHE 22 2HD PHE 22 10.527 -7.310 -5.184 150 HD2 PHE 22 1HD PHE 22 9.424 -5.792 -1.364 151 HE1 PHE 22 2HE PHE 22 8.180 -7.895 -5.633 152 HE2 PHE 22 1HE PHE 22 7.074 -6.375 -1.807 153 HZ PHE 22 HZ PHE 22 6.450 -7.426 -3.944 154 H THR 23 H THR 23 14.040 -6.624 -4.197 155 HA THR 23 HA THR 23 16.274 -6.325 -2.303 156 HB THR 23 HB THR 23 16.453 -6.680 -5.299 157 HG1 THR 23 1HG THR 23 15.826 -8.647 -4.663 158 HG21 THR 23 1HG2 THR 23 18.825 -7.387 -4.592 159 HG22 THR 23 2HG2 THR 23 18.467 -6.564 -3.074 160 HG23 THR 23 3HG2 THR 23 18.441 -5.667 -4.592 161 H THR 24 H THR 24 17.823 -4.599 -2.745 162 HA THR 24 HA THR 24 16.575 -2.093 -3.022 163 HB THR 24 HB THR 24 19.513 -2.797 -3.155 164 HG1 THR 24 1HG THR 24 17.778 -1.977 -1.053 165 HG21 THR 24 1HG2 THR 24 18.097 -0.264 -3.497 166 HG22 THR 24 2HG2 THR 24 19.770 -0.684 -3.865 167 HG23 THR 24 3HG2 THR 24 19.318 -0.218 -2.225 168 H SER 25 H SER 25 16.300 -0.744 -4.709 169 HA SER 25 HA SER 25 16.377 0.113 -6.825 170 HB2 SER 25 1HB SER 25 18.895 -0.578 -6.556 171 HB3 SER 25 2HB SER 25 18.459 -1.873 -7.670 172 HG SER 25 HG SER 25 17.799 -0.306 -9.158 173 H GLU 26 H GLU 26 14.453 -1.708 -6.213 174 HA GLU 26 HA GLU 26 14.179 -3.212 -8.731 175 HB2 GLU 26 1HB GLU 26 13.509 -4.065 -5.926 176 HB3 GLU 26 2HB GLU 26 12.713 -4.793 -7.314 177 HG2 GLU 26 1HG GLU 26 15.218 -5.099 -8.117 178 HG3 GLU 26 2HG GLU 26 15.512 -5.045 -6.380 179 H ARG 27 H ARG 27 11.743 -3.876 -8.983 180 HA ARG 27 HA ARG 27 10.194 -1.405 -8.648 181 HB2 ARG 27 1HB ARG 27 10.652 -2.553 -10.945 182 HB3 ARG 27 2HB ARG 27 9.386 -3.666 -10.445 183 HG2 ARG 27 1HG ARG 27 7.797 -1.870 -10.283 184 HG3 ARG 27 2HG ARG 27 9.058 -0.679 -10.608 185 HD2 ARG 27 1HD ARG 27 9.255 -1.317 -12.840 186 HD3 ARG 27 2HD ARG 27 8.488 -2.879 -12.558 187 HE ARG 27 HE ARG 27 7.186 -0.404 -13.163 188 HH11 ARG 27 2HH1 ARG 27 6.830 -3.468 -11.548 189 HH12 ARG 27 1HH1 ARG 27 5.102 -3.479 -11.670 190 HH21 ARG 27 2HH2 ARG 27 4.911 -0.408 -13.329 191 HH22 ARG 27 1HH2 ARG 27 4.012 -1.739 -12.684 192 H VAL 28 H VAL 28 9.125 -1.525 -6.755 193 HA VAL 28 HA VAL 28 7.792 -4.021 -6.012 194 HB VAL 28 HB VAL 28 8.158 -1.466 -4.442 195 HG11 VAL 28 1HG1 VAL 28 6.644 -3.962 -3.915 196 HG12 VAL 28 2HG1 VAL 28 7.532 -3.243 -2.570 197 HG13 VAL 28 3HG1 VAL 28 6.304 -2.304 -3.420 198 HG21 VAL 28 1HG2 VAL 28 9.642 -4.060 -4.542 199 HG22 VAL 28 2HG2 VAL 28 10.270 -2.412 -4.518 200 HG23 VAL 28 3HG2 VAL 28 9.598 -3.121 -3.050 201 H VAL 29 H VAL 29 5.643 -4.296 -6.079 202 HA VAL 29 HA VAL 29 3.902 -1.960 -6.382 203 HB VAL 29 HB VAL 29 3.683 -4.365 -8.195 204 HG11 VAL 29 1HG1 VAL 29 1.562 -3.556 -8.202 205 HG12 VAL 29 2HG1 VAL 29 2.061 -1.930 -7.733 206 HG13 VAL 29 3HG1 VAL 29 2.253 -2.466 -9.402 207 HG21 VAL 29 1HG2 VAL 29 4.289 -2.527 -9.940 208 HG22 VAL 29 2HG2 VAL 29 5.037 -1.726 -8.558 209 HG23 VAL 29 3HG2 VAL 29 5.570 -3.337 -9.038 210 H LEU 30 H LEU 30 2.334 -2.089 -4.930 211 HA LEU 30 HA LEU 30 1.674 -4.670 -3.743 212 HB2 LEU 30 1HB LEU 30 0.822 -1.878 -2.989 213 HB3 LEU 30 2HB LEU 30 0.436 -3.342 -2.087 214 HG LEU 30 HG LEU 30 3.225 -2.277 -2.522 215 HD11 LEU 30 1HD1 LEU 30 2.247 -0.704 -1.117 216 HD12 LEU 30 2HD1 LEU 30 2.987 -1.849 0.002 217 HD13 LEU 30 3HD1 LEU 30 1.251 -1.908 -0.299 218 HD21 LEU 30 1HD2 LEU 30 3.445 -3.887 -0.425 219 HD22 LEU 30 2HD2 LEU 30 3.607 -4.477 -2.080 220 HD23 LEU 30 3HD2 LEU 30 2.084 -4.684 -1.214 221 H THR 31 H THR 31 -0.853 -4.523 -2.972 222 HA THR 31 HA THR 31 -2.612 -3.637 -5.073 223 HB THR 31 HB THR 31 -2.290 -6.610 -4.616 224 HG1 THR 31 1HG THR 31 -1.961 -5.387 -7.117 225 HG21 THR 31 1HG2 THR 31 -4.468 -6.605 -5.203 226 HG22 THR 31 2HG2 THR 31 -3.844 -6.322 -6.828 227 HG23 THR 31 3HG2 THR 31 -4.394 -4.965 -5.845 228 H CYS 32 H CYS 32 -4.662 -3.363 -4.348 229 HA CYS 32 HA CYS 32 -5.588 -4.748 -1.974 230 HB2 CYS 32 1HB CYS 32 -4.290 -2.595 -1.322 231 HB3 CYS 32 2HB CYS 32 -5.702 -1.746 -1.938 232 HG CYS 32 HG CYS 32 -5.547 -3.856 0.740 233 H GLU 33 H GLU 33 -7.761 -5.009 -1.950 234 HA GLU 33 HA GLU 33 -9.286 -3.625 -4.058 235 HB2 GLU 33 1HB GLU 33 -8.923 -6.135 -4.296 236 HB3 GLU 33 2HB GLU 33 -9.968 -6.321 -2.894 237 HG2 GLU 33 1HG GLU 33 -11.836 -5.484 -4.035 238 HG3 GLU 33 2HG GLU 33 -10.848 -4.821 -5.335 239 H LEU 34 H LEU 34 -11.334 -2.855 -3.584 240 HA LEU 34 HA LEU 34 -12.110 -2.919 -0.743 241 HB2 LEU 34 1HB LEU 34 -12.162 -0.609 -2.670 242 HB3 LEU 34 2HB LEU 34 -13.040 -0.609 -1.142 243 HG LEU 34 HG LEU 34 -10.050 -0.932 -1.341 244 HD11 LEU 34 1HD1 LEU 34 -11.673 1.425 -1.688 245 HD12 LEU 34 2HD1 LEU 34 -9.927 1.227 -1.842 246 HD13 LEU 34 3HD1 LEU 34 -10.640 1.567 -0.265 247 HD21 LEU 34 1HD2 LEU 34 -10.045 -1.087 0.888 248 HD22 LEU 34 2HD2 LEU 34 -11.760 -1.467 0.733 249 HD23 LEU 34 3HD2 LEU 34 -11.251 0.188 1.071 250 H SER 35 H SER 35 -14.500 -1.800 -0.720 251 HA SER 35 HA SER 35 -16.092 -3.519 -2.497 252 HB2 SER 35 1HB SER 35 -17.895 -3.239 -0.794 253 HB3 SER 35 2HB SER 35 -16.442 -4.001 -0.147 254 HG SER 35 HG SER 35 -17.597 -1.596 0.489 255 H ARG 36 H ARG 36 -15.194 -0.328 -2.016 256 HA ARG 36 HA ARG 36 -17.569 0.638 -3.469 257 HB2 ARG 36 1HB ARG 36 -15.844 2.068 -1.444 258 HB3 ARG 36 2HB ARG 36 -17.021 2.884 -2.465 259 HG2 ARG 36 1HG ARG 36 -17.980 0.571 -0.888 260 HG3 ARG 36 2HG ARG 36 -17.581 2.047 -0.007 261 HD2 ARG 36 1HD ARG 36 -19.782 2.447 -0.493 262 HD3 ARG 36 2HD ARG 36 -19.012 3.174 -1.903 263 HE ARG 36 HE ARG 36 -20.565 0.714 -1.830 264 HH11 ARG 36 2HH1 ARG 36 -18.506 2.864 -3.636 265 HH12 ARG 36 1HH1 ARG 36 -18.984 2.236 -5.178 266 HH21 ARG 36 2HH2 ARG 36 -21.202 -0.121 -3.855 267 HH22 ARG 36 1HH2 ARG 36 -20.519 0.540 -5.302 268 H VAL 37 H VAL 37 -17.258 1.719 -5.339 269 HA VAL 37 HA VAL 37 -14.570 1.755 -6.430 270 HB VAL 37 HB VAL 37 -17.291 2.239 -7.611 271 HG11 VAL 37 1HG1 VAL 37 -14.623 2.729 -8.928 272 HG12 VAL 37 2HG1 VAL 37 -16.165 2.638 -9.780 273 HG13 VAL 37 3HG1 VAL 37 -15.880 3.922 -8.605 274 HG21 VAL 37 1HG2 VAL 37 -16.557 -0.075 -7.330 275 HG22 VAL 37 2HG2 VAL 37 -16.673 0.353 -9.037 276 HG23 VAL 37 3HG2 VAL 37 -15.095 0.271 -8.254 277 H ASP 38 H ASP 38 -13.594 3.609 -7.369 278 HA ASP 38 HA ASP 38 -12.807 5.745 -7.207 279 HB2 ASP 38 1HB ASP 38 -14.346 7.452 -7.854 280 HB3 ASP 38 2HB ASP 38 -14.844 5.979 -8.681 281 H PHE 39 H PHE 39 -13.516 4.334 -4.687 282 HA PHE 39 HA PHE 39 -14.505 6.341 -2.886 283 HB2 PHE 39 1HB PHE 39 -14.525 3.692 -2.718 284 HB3 PHE 39 2HB PHE 39 -12.990 3.966 -1.901 285 HD1 PHE 39 2HD PHE 39 -16.579 4.896 -1.832 286 HD2 PHE 39 1HD PHE 39 -12.933 4.589 0.342 287 HE1 PHE 39 2HE PHE 39 -17.785 5.390 0.255 288 HE2 PHE 39 1HE PHE 39 -14.133 5.082 2.432 289 HZ PHE 39 HZ PHE 39 -16.563 5.485 2.390 290 HA PRO 40 HA PRO 40 -10.717 8.454 -2.117 291 HB2 PRO 40 1HB PRO 40 -11.345 9.557 0.283 292 HB3 PRO 40 2HB PRO 40 -12.014 10.138 -1.247 293 HG2 PRO 40 1HG PRO 40 -13.243 8.318 0.788 294 HG3 PRO 40 2HG PRO 40 -13.980 9.666 -0.097 295 HD2 PRO 40 1HD PRO 40 -14.349 7.079 -0.809 296 HD3 PRO 40 2HD PRO 40 -14.316 8.400 -1.995 297 H ALA 41 H ALA 41 -8.835 8.293 -0.895 298 HA ALA 41 HA ALA 41 -8.633 6.929 1.570 299 HB1 ALA 41 1HB ALA 41 -8.036 5.331 -0.903 300 HB2 ALA 41 2HB ALA 41 -7.319 4.951 0.663 301 HB3 ALA 41 3HB ALA 41 -9.070 4.903 0.460 302 H THR 42 H THR 42 -6.255 6.355 2.036 303 HA THR 42 HA THR 42 -4.356 7.946 0.503 304 HB THR 42 HB THR 42 -4.699 8.405 3.471 305 HG1 THR 42 1HG THR 42 -6.418 9.355 2.301 306 HG21 THR 42 1HG2 THR 42 -2.799 9.591 3.407 307 HG22 THR 42 2HG2 THR 42 -3.245 10.378 1.893 308 HG23 THR 42 3HG2 THR 42 -2.487 8.786 1.870 309 H TRP 43 H TRP 43 -2.304 7.164 0.577 310 HA TRP 43 HA TRP 43 -1.932 4.628 1.954 311 HB2 TRP 43 1HB TRP 43 -0.404 6.086 -0.191 312 HB3 TRP 43 2HB TRP 43 0.286 4.694 0.639 313 HD1 TRP 43 HD TRP 43 -2.355 5.642 -1.931 314 HE1 TRP 43 1HE TRP 43 -3.234 3.499 -3.054 315 HE3 TRP 43 3HE TRP 43 -0.114 2.169 1.079 316 HZ2 TRP 43 2HZ TRP 43 -3.008 0.707 -2.710 317 HZ3 TRP 43 3HZ TRP 43 -0.497 -0.217 0.615 318 HH2 TRP 43 HH TRP 43 -1.915 -0.931 -1.240 319 H TYR 44 H TYR 44 -0.730 4.350 3.727 320 HA TYR 44 HA TYR 44 1.018 6.563 4.581 321 HB2 TYR 44 1HB TYR 44 -0.815 4.854 6.270 322 HB3 TYR 44 2HB TYR 44 0.428 5.907 6.938 323 HD1 TYR 44 2HD TYR 44 0.218 8.357 6.731 324 HD2 TYR 44 1HD TYR 44 -2.872 5.743 5.420 325 HE1 TYR 44 2HE TYR 44 -1.354 10.247 6.688 326 HE2 TYR 44 1HE TYR 44 -4.453 7.626 5.373 327 HH TYR 44 HH TYR 44 -3.668 10.684 5.265 328 H LYS 45 H LYS 45 2.933 6.016 5.632 329 HA LYS 45 HA LYS 45 3.640 3.158 5.626 330 HB2 LYS 45 1HB LYS 45 4.600 4.458 3.673 331 HB3 LYS 45 2HB LYS 45 5.540 5.370 4.847 332 HG2 LYS 45 1HG LYS 45 6.416 3.103 5.637 333 HG3 LYS 45 2HG LYS 45 5.746 2.467 4.133 334 HD2 LYS 45 1HD LYS 45 7.252 3.606 2.822 335 HD3 LYS 45 2HD LYS 45 7.496 4.878 4.022 336 HE2 LYS 45 1HE LYS 45 8.363 2.104 4.673 337 HE3 LYS 45 2HE LYS 45 9.343 3.057 3.560 338 HZ1 LYS 45 1HZ LYS 45 8.587 4.519 5.905 339 HZ2 LYS 45 2HZ LYS 45 10.118 4.296 5.220 340 HZ3 LYS 45 3HZ LYS 45 9.486 3.133 6.274 341 H ASP 46 H ASP 46 4.698 2.429 7.387 342 HA ASP 46 HA ASP 46 5.227 2.443 9.627 343 HB2 ASP 46 1HB ASP 46 7.343 3.013 8.277 344 HB3 ASP 46 2HB ASP 46 7.115 4.660 8.860 345 H GLY 47 H GLY 47 3.106 4.381 8.802 346 HA2 GLY 47 1HA GLY 47 1.741 5.712 10.153 347 HA3 GLY 47 2HA GLY 47 3.065 5.866 11.298 348 H GLN 48 H GLN 48 3.285 6.540 7.853 349 HA GLN 48 HA GLN 48 3.298 9.416 8.395 350 HB2 GLN 48 1HB GLN 48 5.417 9.813 7.586 351 HB3 GLN 48 2HB GLN 48 5.660 8.266 8.385 352 HG2 GLN 48 1HG GLN 48 5.394 7.128 6.225 353 HG3 GLN 48 2HG GLN 48 5.214 8.696 5.440 354 HE21 GLN 48 1HE2 GLN 48 7.275 6.396 5.485 355 HE22 GLN 48 2HE2 GLN 48 8.783 7.230 5.594 356 H LYS 49 H LYS 49 2.339 10.590 6.843 357 HA LYS 49 HA LYS 49 0.936 9.297 4.751 358 HB2 LYS 49 1HB LYS 49 0.064 11.318 5.772 359 HB3 LYS 49 2HB LYS 49 1.476 12.229 5.254 360 HG2 LYS 49 1HG LYS 49 0.833 11.897 2.919 361 HG3 LYS 49 2HG LYS 49 -0.585 10.986 3.442 362 HD2 LYS 49 1HD LYS 49 -1.475 12.938 4.557 363 HD3 LYS 49 2HD LYS 49 -0.015 13.856 4.181 364 HE2 LYS 49 1HE LYS 49 -1.707 12.632 2.025 365 HE3 LYS 49 2HE LYS 49 -2.080 14.216 2.704 366 HZ1 LYS 49 1HZ LYS 49 -0.364 15.162 1.647 367 HZ2 LYS 49 2HZ LYS 49 -0.438 13.813 0.630 368 HZ3 LYS 49 3HZ LYS 49 0.675 13.852 1.903 369 H VAL 50 H VAL 50 1.566 8.777 2.764 370 HA VAL 50 HA VAL 50 4.223 9.325 1.870 371 HB VAL 50 HB VAL 50 3.632 8.085 -0.136 372 HG11 VAL 50 1HG1 VAL 50 3.711 7.084 2.410 373 HG12 VAL 50 2HG1 VAL 50 2.216 6.392 1.777 374 HG13 VAL 50 3HG1 VAL 50 3.741 6.122 0.932 375 HG21 VAL 50 1HG2 VAL 50 0.935 7.339 0.593 376 HG22 VAL 50 2HG2 VAL 50 1.074 9.074 0.313 377 HG23 VAL 50 3HG2 VAL 50 1.561 7.937 -0.944 378 H GLU 51 H GLU 51 4.554 10.103 -0.460 379 HA GLU 51 HA GLU 51 2.776 12.362 -1.072 380 HB2 GLU 51 1HB GLU 51 5.712 12.397 -0.562 381 HB3 GLU 51 2HB GLU 51 5.080 13.461 -1.810 382 HG2 GLU 51 1HG GLU 51 3.580 14.490 -0.199 383 HG3 GLU 51 2HG GLU 51 4.167 13.402 1.057 384 H GLU 52 H GLU 52 1.873 11.659 -2.919 385 HA GLU 52 HA GLU 52 2.897 9.949 -4.808 386 HB2 GLU 52 1HB GLU 52 0.905 12.183 -4.973 387 HB3 GLU 52 2HB GLU 52 1.378 11.325 -6.432 388 HG2 GLU 52 1HG GLU 52 0.404 9.356 -5.758 389 HG3 GLU 52 2HG GLU 52 0.494 9.773 -4.048 390 H SER 53 H SER 53 4.744 10.064 -5.887 391 HA SER 53 HA SER 53 5.376 12.443 -7.419 392 HB2 SER 53 1HB SER 53 6.436 12.677 -5.094 393 HB3 SER 53 2HB SER 53 7.499 11.354 -5.574 394 HG SER 53 HG SER 53 7.223 13.516 -7.319 395 H GLU 54 H GLU 54 7.756 11.942 -8.427 396 HA GLU 54 HA GLU 54 7.363 9.884 -10.262 397 HB2 GLU 54 1HB GLU 54 8.871 11.733 -10.713 398 HB3 GLU 54 2HB GLU 54 9.933 11.224 -9.408 399 HG2 GLU 54 1HG GLU 54 11.050 10.380 -11.203 400 HG3 GLU 54 2HG GLU 54 10.042 8.997 -10.781 401 H LEU 55 H LEU 55 8.935 9.876 -7.137 402 HA LEU 55 HA LEU 55 9.967 7.187 -7.503 403 HB2 LEU 55 1HB LEU 55 9.994 8.990 -5.087 404 HB3 LEU 55 2HB LEU 55 10.836 7.448 -5.226 405 HG LEU 55 HG LEU 55 11.419 9.786 -7.030 406 HD11 LEU 55 1HD1 LEU 55 11.748 10.114 -4.456 407 HD12 LEU 55 2HD1 LEU 55 13.006 10.605 -5.590 408 HD13 LEU 55 3HD1 LEU 55 13.156 9.083 -4.712 409 HD21 LEU 55 1HD2 LEU 55 12.612 7.106 -6.514 410 HD22 LEU 55 2HD2 LEU 55 13.674 8.438 -6.971 411 HD23 LEU 55 3HD2 LEU 55 12.355 7.954 -8.039 412 H LEU 56 H LEU 56 7.013 8.429 -6.848 413 HA LEU 56 HA LEU 56 6.158 5.959 -5.549 414 HB2 LEU 56 1HB LEU 56 6.566 7.920 -3.892 415 HB3 LEU 56 2HB LEU 56 5.060 8.556 -4.551 416 HG LEU 56 HG LEU 56 5.121 5.767 -3.486 417 HD11 LEU 56 1HD1 LEU 56 6.202 7.059 -1.741 418 HD12 LEU 56 2HD1 LEU 56 4.566 6.618 -1.254 419 HD13 LEU 56 3HD1 LEU 56 4.910 8.258 -1.801 420 HD21 LEU 56 1HD2 LEU 56 2.950 5.945 -3.898 421 HD22 LEU 56 2HD2 LEU 56 3.178 7.601 -4.459 422 HD23 LEU 56 3HD2 LEU 56 2.843 7.285 -2.756 423 H VAL 57 H VAL 57 4.857 5.180 -7.088 424 HA VAL 57 HA VAL 57 2.975 7.007 -8.414 425 HB VAL 57 HB VAL 57 3.503 4.170 -9.259 426 HG11 VAL 57 1HG1 VAL 57 1.707 6.091 -10.108 427 HG12 VAL 57 2HG1 VAL 57 3.006 6.172 -11.300 428 HG13 VAL 57 3HG1 VAL 57 2.184 4.642 -10.993 429 HG21 VAL 57 1HG2 VAL 57 5.261 6.517 -9.512 430 HG22 VAL 57 2HG2 VAL 57 5.646 4.798 -9.575 431 HG23 VAL 57 3HG2 VAL 57 4.991 5.607 -10.998 432 H VAL 58 H VAL 58 0.824 6.807 -8.166 433 HA VAL 58 HA VAL 58 -0.173 4.494 -6.633 434 HB VAL 58 HB VAL 58 -1.338 7.269 -6.456 435 HG11 VAL 58 1HG1 VAL 58 -2.983 6.203 -5.410 436 HG12 VAL 58 2HG1 VAL 58 -2.112 4.670 -5.502 437 HG13 VAL 58 3HG1 VAL 58 -1.834 5.765 -4.146 438 HG21 VAL 58 1HG2 VAL 58 -0.078 7.753 -4.574 439 HG22 VAL 58 2HG2 VAL 58 0.349 6.064 -4.298 440 HG23 VAL 58 3HG2 VAL 58 1.099 6.958 -5.620 441 H LYS 59 H LYS 59 -1.451 3.293 -7.861 442 HA LYS 59 HA LYS 59 -2.938 4.547 -10.053 443 HB2 LYS 59 1HB LYS 59 -2.331 1.644 -9.467 444 HB3 LYS 59 2HB LYS 59 -3.284 2.205 -10.834 445 HG2 LYS 59 1HG LYS 59 -0.525 3.263 -10.434 446 HG3 LYS 59 2HG LYS 59 -0.758 1.657 -11.128 447 HD2 LYS 59 1HD LYS 59 -2.436 2.878 -12.701 448 HD3 LYS 59 2HD LYS 59 -1.556 4.328 -12.213 449 HE2 LYS 59 1HE LYS 59 0.534 2.826 -12.812 450 HE3 LYS 59 2HE LYS 59 -0.648 1.997 -13.824 451 HZ1 LYS 59 1HZ LYS 59 -0.992 3.875 -15.105 452 HZ2 LYS 59 2HZ LYS 59 0.673 3.941 -14.815 453 HZ3 LYS 59 3HZ LYS 59 -0.379 4.931 -13.934 454 H MET 60 H MET 60 -5.156 4.302 -10.299 455 HA MET 60 HA MET 60 -6.612 3.069 -8.067 456 HB2 MET 60 1HB MET 60 -6.492 5.496 -7.662 457 HB3 MET 60 2HB MET 60 -7.215 5.790 -9.238 458 HG2 MET 60 1HG MET 60 -9.208 4.481 -8.451 459 HG3 MET 60 2HG MET 60 -8.486 4.498 -6.843 460 HE1 MET 60 1HE MET 60 -11.186 5.656 -8.495 461 HE2 MET 60 2HE MET 60 -11.374 7.401 -8.321 462 HE3 MET 60 3HE MET 60 -10.351 6.747 -9.601 463 H ASP 61 H ASP 61 -7.491 1.381 -9.129 464 HA ASP 61 HA ASP 61 -8.863 1.896 -11.677 465 HB2 ASP 61 1HB ASP 61 -7.064 0.001 -11.258 466 HB3 ASP 61 2HB ASP 61 -8.455 -0.867 -10.614 467 H GLY 62 H GLY 62 -10.417 2.964 -9.980 468 HA2 GLY 62 1HA GLY 62 -12.675 2.876 -9.423 469 HA3 GLY 62 2HA GLY 62 -12.659 1.148 -9.743 470 H ARG 63 H ARG 63 -12.232 -0.288 -8.092 471 HA ARG 63 HA ARG 63 -12.201 0.901 -5.400 472 HB2 ARG 63 1HB ARG 63 -13.027 -1.515 -4.810 473 HB3 ARG 63 2HB ARG 63 -14.152 -0.329 -5.457 474 HG2 ARG 63 1HG ARG 63 -14.358 -1.404 -7.454 475 HG3 ARG 63 2HG ARG 63 -12.735 -2.091 -7.378 476 HD2 ARG 63 1HD ARG 63 -13.979 -3.969 -6.989 477 HD3 ARG 63 2HD ARG 63 -13.752 -3.403 -5.334 478 HE ARG 63 HE ARG 63 -16.002 -3.033 -5.201 479 HH11 ARG 63 2HH1 ARG 63 -15.100 -3.287 -8.554 480 HH12 ARG 63 1HH1 ARG 63 -16.734 -3.252 -9.130 481 HH21 ARG 63 2HH2 ARG 63 -18.156 -2.986 -5.948 482 HH22 ARG 63 1HH2 ARG 63 -18.471 -3.080 -7.647 483 H LYS 64 H LYS 64 -10.095 -0.300 -7.501 484 HA LYS 64 HA LYS 64 -8.611 -1.894 -5.522 485 HB2 LYS 64 1HB LYS 64 -8.748 -1.918 -8.496 486 HB3 LYS 64 2HB LYS 64 -7.209 -2.332 -7.750 487 HG2 LYS 64 1HG LYS 64 -8.585 -3.978 -6.329 488 HG3 LYS 64 2HG LYS 64 -9.838 -3.746 -7.551 489 HD2 LYS 64 1HD LYS 64 -7.076 -4.353 -8.473 490 HD3 LYS 64 2HD LYS 64 -8.021 -5.663 -7.760 491 HE2 LYS 64 1HE LYS 64 -8.596 -5.863 -9.975 492 HE3 LYS 64 2HE LYS 64 -9.878 -4.804 -9.392 493 HZ1 LYS 64 1HZ LYS 64 -8.004 -4.312 -11.416 494 HZ2 LYS 64 2HZ LYS 64 -7.725 -3.205 -10.169 495 HZ3 LYS 64 3HZ LYS 64 -9.257 -3.309 -10.880 496 H HIS 65 H HIS 65 -6.911 -1.000 -4.569 497 HA HIS 65 HA HIS 65 -5.575 1.259 -5.908 498 HB2 HIS 65 1HB HIS 65 -5.932 0.892 -2.927 499 HB3 HIS 65 2HB HIS 65 -5.172 2.263 -3.729 500 HD1 HIS 65 1HD HIS 65 -6.663 4.169 -4.331 501 HD2 HIS 65 2HD HIS 65 -8.798 0.708 -3.480 502 HE1 HIS 65 1HE HIS 65 -9.082 4.854 -4.333 503 HE2 HIS 65 2HE HIS 65 -10.349 2.762 -3.732 504 H ARG 66 H ARG 66 -3.486 0.973 -6.316 505 HA ARG 66 HA ARG 66 -1.959 -0.907 -4.651 506 HB2 ARG 66 1HB ARG 66 -0.742 -1.378 -6.953 507 HB3 ARG 66 2HB ARG 66 -2.174 -2.279 -6.473 508 HG2 ARG 66 1HG ARG 66 -3.524 -1.214 -7.997 509 HG3 ARG 66 2HG ARG 66 -2.489 0.213 -8.076 510 HD2 ARG 66 1HD ARG 66 -0.751 -1.363 -9.125 511 HD3 ARG 66 2HD ARG 66 -2.104 -2.468 -9.366 512 HE ARG 66 HE ARG 66 -2.886 -0.019 -10.392 513 HH11 ARG 66 2HH1 ARG 66 -0.413 -2.392 -11.002 514 HH12 ARG 66 1HH1 ARG 66 -0.302 -2.032 -12.693 515 HH21 ARG 66 2HH2 ARG 66 -2.750 0.463 -12.617 516 HH22 ARG 66 1HH2 ARG 66 -1.632 -0.408 -13.610 517 H LEU 67 H LEU 67 0.198 -0.402 -4.329 518 HA LEU 67 HA LEU 67 0.978 2.301 -5.192 519 HB2 LEU 67 1HB LEU 67 0.707 1.803 -2.730 520 HB3 LEU 67 2HB LEU 67 2.110 0.748 -2.877 521 HG LEU 67 HG LEU 67 3.101 2.647 -2.084 522 HD11 LEU 67 1HD1 LEU 67 3.034 3.212 -5.044 523 HD12 LEU 67 2HD1 LEU 67 4.113 2.068 -4.246 524 HD13 LEU 67 3HD1 LEU 67 4.236 3.791 -3.891 525 HD21 LEU 67 1HD2 LEU 67 0.806 3.864 -2.325 526 HD22 LEU 67 2HD2 LEU 67 1.533 4.534 -3.786 527 HD23 LEU 67 3HD2 LEU 67 2.297 4.801 -2.218 528 H ILE 68 H ILE 68 2.352 2.277 -6.839 529 HA ILE 68 HA ILE 68 4.209 0.035 -7.143 530 HB ILE 68 HB ILE 68 3.284 2.189 -9.026 531 HG12 ILE 68 1HG1 ILE 68 3.372 -0.776 -9.513 532 HG13 ILE 68 2HG1 ILE 68 2.060 -0.059 -8.584 533 HG21 ILE 68 1HG2 ILE 68 4.853 1.353 -10.688 534 HG22 ILE 68 2HG2 ILE 68 5.709 1.975 -9.278 535 HG23 ILE 68 3HG2 ILE 68 5.530 0.235 -9.504 536 HD11 ILE 68 1HD1 ILE 68 1.272 1.148 -10.418 537 HD12 ILE 68 2HD1 ILE 68 2.775 0.933 -11.317 538 HD13 ILE 68 3HD1 ILE 68 1.690 -0.435 -11.072 539 H LEU 69 H LEU 69 6.444 0.361 -7.493 540 HA LEU 69 HA LEU 69 7.510 3.010 -6.846 541 HB2 LEU 69 1HB LEU 69 8.075 0.456 -5.375 542 HB3 LEU 69 2HB LEU 69 9.223 1.793 -5.380 543 HG LEU 69 HG LEU 69 6.381 2.095 -4.434 544 HD11 LEU 69 1HD1 LEU 69 7.114 1.745 -2.195 545 HD12 LEU 69 2HD1 LEU 69 8.793 1.580 -2.707 546 HD13 LEU 69 3HD1 LEU 69 7.613 0.344 -3.143 547 HD21 LEU 69 1HD2 LEU 69 6.939 4.234 -4.264 548 HD22 LEU 69 2HD2 LEU 69 8.554 3.883 -4.879 549 HD23 LEU 69 3HD2 LEU 69 8.233 3.802 -3.146 550 HA PRO 70 HA PRO 70 9.975 1.782 -10.356 551 HB2 PRO 70 1HB PRO 70 11.350 4.116 -10.542 552 HB3 PRO 70 2HB PRO 70 9.689 3.931 -11.117 553 HG2 PRO 70 1HG PRO 70 10.685 5.112 -8.553 554 HG3 PRO 70 2HG PRO 70 9.410 5.701 -9.635 555 HD2 PRO 70 1HD PRO 70 8.873 4.345 -7.353 556 HD3 PRO 70 2HD PRO 70 7.845 4.232 -8.796 557 H GLU 71 H GLU 71 11.317 3.307 -7.449 558 HA GLU 71 HA GLU 71 13.648 1.532 -7.687 559 HB2 GLU 71 1HB GLU 71 14.006 4.040 -8.337 560 HB3 GLU 71 2HB GLU 71 13.968 4.306 -6.600 561 HG2 GLU 71 1HG GLU 71 15.796 2.637 -6.368 562 HG3 GLU 71 2HG GLU 71 15.889 2.568 -8.127 563 H ALA 72 H ALA 72 13.185 0.139 -6.075 564 HA ALA 72 HA ALA 72 12.160 1.086 -3.533 565 HB1 ALA 72 1HB ALA 72 11.427 -1.004 -3.231 566 HB2 ALA 72 2HB ALA 72 11.845 -1.251 -4.927 567 HB3 ALA 72 3HB ALA 72 12.985 -1.710 -3.662 568 H LYS 73 H LYS 73 13.594 2.052 -2.236 569 HA LYS 73 HA LYS 73 16.304 0.944 -2.029 570 HB2 LYS 73 1HB LYS 73 15.230 3.582 -1.013 571 HB3 LYS 73 2HB LYS 73 16.911 3.064 -0.974 572 HG2 LYS 73 1HG LYS 73 17.120 3.215 -3.312 573 HG3 LYS 73 2HG LYS 73 15.373 3.330 -3.539 574 HD2 LYS 73 1HD LYS 73 16.719 5.405 -1.884 575 HD3 LYS 73 2HD LYS 73 16.934 5.466 -3.635 576 HE2 LYS 73 1HE LYS 73 14.283 5.397 -2.196 577 HE3 LYS 73 2HE LYS 73 15.039 6.838 -2.875 578 HZ1 LYS 73 1HZ LYS 73 13.410 4.961 -4.166 579 HZ2 LYS 73 2HZ LYS 73 14.946 4.881 -4.869 580 HZ3 LYS 73 3HZ LYS 73 14.118 6.355 -4.813 581 H VAL 74 H VAL 74 17.271 1.158 0.244 582 HA VAL 74 HA VAL 74 15.935 -0.568 1.980 583 HB VAL 74 HB VAL 74 18.147 1.400 2.578 584 HG11 VAL 74 1HG1 VAL 74 16.679 -0.481 4.300 585 HG12 VAL 74 2HG1 VAL 74 18.438 -0.555 4.422 586 HG13 VAL 74 3HG1 VAL 74 17.594 0.966 4.719 587 HG21 VAL 74 1HG2 VAL 74 19.650 -0.392 2.233 588 HG22 VAL 74 2HG2 VAL 74 18.346 -1.578 2.192 589 HG23 VAL 74 3HG2 VAL 74 18.534 -0.429 0.868 590 H GLN 75 H GLN 75 15.688 2.858 1.590 591 HA GLN 75 HA GLN 75 14.562 3.405 4.163 592 HB2 GLN 75 1HB GLN 75 14.257 5.090 1.681 593 HB3 GLN 75 2HB GLN 75 14.185 5.616 3.358 594 HG2 GLN 75 1HG GLN 75 16.530 5.250 3.641 595 HG3 GLN 75 2HG GLN 75 16.653 4.500 2.051 596 HE21 GLN 75 1HE2 GLN 75 17.872 6.942 3.349 597 HE22 GLN 75 2HE2 GLN 75 17.609 8.206 2.202 598 H ASP 76 H ASP 76 13.320 2.473 1.039 599 HA ASP 76 HA ASP 76 10.594 3.122 1.569 600 HB2 ASP 76 1HB ASP 76 11.595 1.068 -0.404 601 HB3 ASP 76 2HB ASP 76 10.088 1.977 -0.466 602 H SER 77 H SER 77 12.653 0.523 2.450 603 HA SER 77 HA SER 77 10.827 -1.576 2.722 604 HB2 SER 77 1HB SER 77 12.457 -2.653 4.049 605 HB3 SER 77 2HB SER 77 13.387 -1.619 2.964 606 HG SER 77 HG SER 77 14.090 -0.562 4.632 607 H GLY 78 H GLY 78 9.009 -1.608 3.858 608 HA2 GLY 78 1HA GLY 78 8.876 -1.232 6.625 609 HA3 GLY 78 2HA GLY 78 8.355 0.264 5.865 610 H GLU 79 H GLU 79 6.296 -0.147 6.901 611 HA GLU 79 HA GLU 79 4.708 -2.214 5.529 612 HB2 GLU 79 1HB GLU 79 4.909 -2.390 8.026 613 HB3 GLU 79 2HB GLU 79 4.061 -0.855 8.147 614 HG2 GLU 79 1HG GLU 79 2.363 -2.367 8.460 615 HG3 GLU 79 2HG GLU 79 2.239 -2.034 6.734 616 H PHE 80 H PHE 80 2.917 -1.652 4.410 617 HA PHE 80 HA PHE 80 2.322 1.224 4.231 618 HB2 PHE 80 1HB PHE 80 2.074 -1.017 2.234 619 HB3 PHE 80 2HB PHE 80 1.234 0.514 2.014 620 HD1 PHE 80 1HD PHE 80 4.661 -0.711 2.843 621 HD2 PHE 80 2HD PHE 80 2.267 2.092 0.717 622 HE1 PHE 80 1HE PHE 80 6.689 0.250 1.834 623 HE2 PHE 80 2HE PHE 80 4.290 3.057 -0.296 624 HZ PHE 80 HZ PHE 80 6.505 2.136 0.261 625 H GLU 81 H GLU 81 0.158 1.926 4.152 626 HA GLU 81 HA GLU 81 -1.921 -0.027 4.778 627 HB2 GLU 81 1HB GLU 81 -1.031 0.757 6.950 628 HB3 GLU 81 2HB GLU 81 -1.404 2.411 6.488 629 HG2 GLU 81 1HG GLU 81 -3.818 1.463 6.169 630 HG3 GLU 81 2HG GLU 81 -3.240 0.195 7.249 631 H CYS 82 H CYS 82 -3.770 0.409 3.752 632 HA CYS 82 HA CYS 82 -3.992 2.983 2.368 633 HB2 CYS 82 1HB CYS 82 -4.133 1.078 0.900 634 HB3 CYS 82 2HB CYS 82 -5.364 0.330 1.910 635 HG CYS 82 HG CYS 82 -5.936 3.323 0.378 636 H ARG 83 H ARG 83 -4.608 3.957 4.468 637 HA ARG 83 HA ARG 83 -6.922 3.285 5.878 638 HB2 ARG 83 1HB ARG 83 -5.250 5.732 5.608 639 HB3 ARG 83 2HB ARG 83 -6.844 5.913 6.328 640 HG2 ARG 83 1HG ARG 83 -6.241 4.138 7.961 641 HG3 ARG 83 2HG ARG 83 -4.608 4.145 7.290 642 HD2 ARG 83 1HD ARG 83 -4.819 6.740 7.756 643 HD3 ARG 83 2HD ARG 83 -6.000 6.188 8.943 644 HE ARG 83 HE ARG 83 -3.140 5.861 9.053 645 HH11 ARG 83 2HH1 ARG 83 -6.220 4.697 10.184 646 HH12 ARG 83 1HH1 ARG 83 -5.570 3.992 11.627 647 HH21 ARG 83 2HH2 ARG 83 -2.273 4.936 10.949 648 HH22 ARG 83 1HH2 ARG 83 -3.325 4.129 12.062 649 H THR 84 H THR 84 -9.049 3.804 5.682 650 HA THR 84 HA THR 84 -9.938 5.688 3.667 651 HB THR 84 HB THR 84 -9.634 3.469 2.479 652 HG1 THR 84 1HG THR 84 -12.363 4.120 2.419 653 HG21 THR 84 1HG2 THR 84 -12.099 2.291 3.209 654 HG22 THR 84 2HG2 THR 84 -11.200 2.578 4.699 655 HG23 THR 84 3HG2 THR 84 -10.478 1.627 3.402 656 H GLU 85 H GLU 85 -12.395 5.805 3.651 657 HA GLU 85 HA GLU 85 -13.304 6.221 6.295 658 HB2 GLU 85 1HB GLU 85 -14.050 7.277 3.995 659 HB3 GLU 85 2HB GLU 85 -15.226 5.971 4.021 660 HG2 GLU 85 1HG GLU 85 -16.367 6.839 5.794 661 HG3 GLU 85 2HG GLU 85 -14.949 7.657 6.448 662 H GLY 86 H GLY 86 -12.805 4.001 7.076 663 HA2 GLY 86 1HA GLY 86 -14.951 2.557 7.832 664 HA3 GLY 86 2HA GLY 86 -14.600 1.884 6.247 665 H VAL 87 H VAL 87 -12.325 1.127 5.917 666 HA VAL 87 HA VAL 87 -11.058 0.216 8.401 667 HB VAL 87 HB VAL 87 -10.740 -2.036 7.496 668 HG11 VAL 87 1HG1 VAL 87 -13.577 -2.106 7.195 669 HG12 VAL 87 2HG1 VAL 87 -12.597 -2.590 8.580 670 HG13 VAL 87 3HG1 VAL 87 -13.159 -0.925 8.436 671 HG21 VAL 87 1HG2 VAL 87 -10.980 -1.164 5.076 672 HG22 VAL 87 2HG2 VAL 87 -11.582 -2.777 5.460 673 HG23 VAL 87 3HG2 VAL 87 -12.707 -1.427 5.321 674 H SER 88 H SER 88 -8.954 -1.100 7.653 675 HA SER 88 HA SER 88 -7.660 0.225 5.397 676 HB2 SER 88 1HB SER 88 -6.134 0.161 7.968 677 HB3 SER 88 2HB SER 88 -5.971 1.255 6.594 678 HG SER 88 HG SER 88 -8.151 2.017 7.282 679 H ALA 89 H ALA 89 -5.609 -0.772 4.807 680 HA ALA 89 HA ALA 89 -5.513 -3.603 5.620 681 HB1 ALA 89 1HB ALA 89 -6.051 -3.620 3.359 682 HB2 ALA 89 2HB ALA 89 -4.986 -2.262 2.994 683 HB3 ALA 89 3HB ALA 89 -4.302 -3.847 3.358 684 H PHE 90 H PHE 90 -3.295 -4.603 5.315 685 HA PHE 90 HA PHE 90 -1.130 -2.721 5.920 686 HB2 PHE 90 1HB PHE 90 -1.952 -5.094 7.588 687 HB3 PHE 90 2HB PHE 90 -0.337 -4.399 7.678 688 HD1 PHE 90 1HD PHE 90 -3.920 -3.719 8.225 689 HD2 PHE 90 2HD PHE 90 0.076 -2.409 8.879 690 HE1 PHE 90 1HE PHE 90 -4.735 -2.055 9.845 691 HE2 PHE 90 2HE PHE 90 -0.731 -0.744 10.500 692 HZ PHE 90 HZ PHE 90 -3.139 -0.565 10.985 693 H PHE 91 H PHE 91 0.547 -3.086 4.641 694 HA PHE 91 HA PHE 91 0.980 -5.820 3.632 695 HB2 PHE 91 1HB PHE 91 1.446 -3.222 2.153 696 HB3 PHE 91 2HB PHE 91 1.823 -4.828 1.538 697 HD1 PHE 91 2HD PHE 91 -0.967 -2.666 2.663 698 HD2 PHE 91 1HD PHE 91 0.205 -6.099 0.435 699 HE1 PHE 91 2HE PHE 91 -3.242 -2.841 1.742 700 HE2 PHE 91 1HE PHE 91 -2.068 -6.278 -0.490 701 HZ PHE 91 HZ PHE 91 -3.795 -4.649 0.164 702 H GLY 92 H GLY 92 2.771 -6.639 4.484 703 HA2 GLY 92 1HA GLY 92 4.846 -4.922 5.538 704 HA3 GLY 92 2HA GLY 92 4.801 -6.677 5.615 705 H VAL 93 H VAL 93 6.224 -4.004 4.154 706 HA VAL 93 HA VAL 93 7.280 -5.646 1.948 707 HB VAL 93 HB VAL 93 7.142 -2.640 2.207 708 HG11 VAL 93 1HG1 VAL 93 8.268 -4.328 -0.026 709 HG12 VAL 93 2HG1 VAL 93 8.071 -2.574 -0.058 710 HG13 VAL 93 3HG1 VAL 93 9.195 -3.317 1.081 711 HG21 VAL 93 1HG2 VAL 93 5.853 -4.305 0.076 712 HG22 VAL 93 2HG2 VAL 93 5.055 -4.042 1.627 713 HG23 VAL 93 3HG2 VAL 93 5.459 -2.667 0.600 714 H THR 94 H THR 94 9.490 -5.744 1.581 715 HA THR 94 HA THR 94 11.252 -4.462 3.543 716 HB THR 94 HB THR 94 11.292 -7.415 2.895 717 HG1 THR 94 1HG THR 94 10.936 -7.548 5.200 718 HG21 THR 94 1HG2 THR 94 13.194 -5.719 4.513 719 HG22 THR 94 2HG2 THR 94 13.561 -6.636 3.052 720 HG23 THR 94 3HG2 THR 94 13.163 -7.482 4.547 721 H VAL 95 H VAL 95 13.202 -3.835 2.751 722 HA VAL 95 HA VAL 95 13.828 -4.594 -0.029 723 HB VAL 95 HB VAL 95 14.464 -1.915 1.202 724 HG11 VAL 95 1HG1 VAL 95 15.796 -2.871 -0.768 725 HG12 VAL 95 2HG1 VAL 95 14.330 -2.609 -1.714 726 HG13 VAL 95 3HG1 VAL 95 15.133 -1.245 -0.935 727 HG21 VAL 95 1HG2 VAL 95 12.056 -2.843 -0.312 728 HG22 VAL 95 2HG2 VAL 95 12.149 -1.822 1.123 729 HG23 VAL 95 3HG2 VAL 95 12.608 -1.173 -0.452 730 H GLN 96 H GLN 96 15.400 -6.087 0.324 731 HA GLN 96 HA GLN 96 17.577 -5.459 2.168 732 HB2 GLN 96 1HB GLN 96 16.904 -7.978 0.641 733 HB3 GLN 96 2HB GLN 96 18.304 -7.804 1.691 734 HG2 GLN 96 1HG GLN 96 16.898 -7.494 3.609 735 HG3 GLN 96 2HG GLN 96 15.455 -7.470 2.596 736 HE21 GLN 96 1HE2 GLN 96 14.421 -9.212 3.402 737 HE22 GLN 96 2HE2 GLN 96 15.033 -10.826 3.332 738 H ASP 97 H ASP 97 19.573 -4.900 1.537 739 HA ASP 97 HA ASP 97 20.026 -4.218 -1.207 740 HB2 ASP 97 1HB ASP 97 22.242 -3.461 -0.414 741 HB3 ASP 97 2HB ASP 97 20.929 -2.814 0.566 742 HA PRO 98 HA PRO 98 21.715 -8.103 -2.483 743 HB2 PRO 98 1HB PRO 98 22.755 -7.262 -4.846 744 HB3 PRO 98 2HB PRO 98 21.025 -7.522 -4.597 745 HG2 PRO 98 1HG PRO 98 22.582 -4.966 -4.545 746 HG3 PRO 98 2HG PRO 98 21.005 -5.301 -5.284 747 HD2 PRO 98 1HD PRO 98 21.259 -4.051 -2.896 748 HD3 PRO 98 2HD PRO 98 19.884 -5.106 -3.280 749 H SER 99 H SER 99 23.396 -8.560 -1.104 750 HA SER 99 HA SER 99 25.942 -7.163 -1.518 751 HB2 SER 99 1HB SER 99 25.145 -9.062 0.701 752 HB3 SER 99 2HB SER 99 26.631 -8.116 0.622 753 HG SER 99 HG SER 99 24.656 -7.310 1.864 754 H GLY 100 H GLY 100 27.596 -8.113 -2.524 755 HA2 GLY 100 1HA GLY 100 28.930 -10.228 -2.646 756 HA3 GLY 100 2HA GLY 100 27.406 -11.021 -3.019 757 HA PRO 101 HA PRO 101 29.700 -9.424 -6.882 758 HB2 PRO 101 1HB PRO 101 30.714 -11.785 -7.759 759 HB3 PRO 101 2HB PRO 101 31.602 -10.697 -6.685 760 HG2 PRO 101 1HG PRO 101 30.041 -13.162 -6.015 761 HG3 PRO 101 2HG PRO 101 31.620 -12.637 -5.402 762 HD2 PRO 101 1HD PRO 101 29.330 -12.310 -3.995 763 HD3 PRO 101 2HD PRO 101 30.686 -11.169 -3.890 764 H SER 102 H SER 102 27.202 -11.352 -5.947 765 HA SER 102 HA SER 102 26.309 -12.929 -7.916 766 HB2 SER 102 1HB SER 102 24.019 -12.259 -7.381 767 HB3 SER 102 2HB SER 102 24.986 -12.344 -5.909 768 HG SER 102 HG SER 102 23.595 -10.296 -6.794 769 H SER 103 H SER 103 26.209 -9.387 -8.019 770 HA SER 103 HA SER 103 25.555 -9.558 -10.887 771 HB2 SER 103 1HB SER 103 23.957 -8.338 -9.287 772 HB3 SER 103 2HB SER 103 25.204 -7.095 -9.184 773 HG SER 103 HG SER 103 23.493 -6.864 -10.858 774 H GLY 104 H GLY 104 26.550 -7.954 -12.295 775 HA2 GLY 104 1HA GLY 104 28.571 -6.195 -11.656 776 HA3 GLY 104 2HA GLY 104 29.359 -7.756 -11.819 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -26.121 4.792 -0.334 2 HA2 GLY 1 1HA GLY 1 -29.027 5.279 -0.317 3 HA3 GLY 1 2HA GLY 1 -28.413 3.633 -0.277 4 H SER 2 H SER 2 -29.193 3.073 1.716 5 HA SER 2 HA SER 2 -29.385 4.474 4.022 6 HB2 SER 2 1HB SER 2 -28.427 1.613 3.763 7 HB3 SER 2 2HB SER 2 -29.042 2.343 5.246 8 HG SER 2 HG SER 2 -30.968 2.831 3.838 9 H SER 3 H SER 3 -28.061 5.531 5.338 10 HA SER 3 HA SER 3 -25.344 5.882 4.840 11 HB2 SER 3 1HB SER 3 -26.574 7.518 6.124 12 HB3 SER 3 2HB SER 3 -26.924 6.332 7.382 13 HG SER 3 HG SER 3 -25.031 6.689 8.217 14 H GLY 4 H GLY 4 -23.473 5.062 5.743 15 HA2 GLY 4 1HA GLY 4 -23.501 2.335 6.485 16 HA3 GLY 4 2HA GLY 4 -22.111 3.407 6.567 17 H SER 5 H SER 5 -23.547 1.324 8.395 18 HA SER 5 HA SER 5 -24.170 2.841 10.752 19 HB2 SER 5 1HB SER 5 -23.898 -0.100 10.163 20 HB3 SER 5 2HB SER 5 -24.116 0.486 11.812 21 HG SER 5 HG SER 5 -25.850 1.029 9.629 22 H SER 6 H SER 6 -21.563 0.559 9.908 23 HA SER 6 HA SER 6 -19.853 1.946 11.867 24 HB2 SER 6 1HB SER 6 -20.665 -0.459 12.439 25 HB3 SER 6 2HB SER 6 -19.497 -0.968 11.220 26 HG SER 6 HG SER 6 -18.683 0.824 13.214 27 H GLY 7 H GLY 7 -19.864 -0.098 8.955 28 HA2 GLY 7 1HA GLY 7 -17.665 1.521 7.895 29 HA3 GLY 7 2HA GLY 7 -17.417 -0.215 8.019 30 HA PRO 8 HA PRO 8 -20.548 1.017 4.480 31 HB2 PRO 8 1HB PRO 8 -19.448 2.984 2.966 32 HB3 PRO 8 2HB PRO 8 -20.559 3.308 4.302 33 HG2 PRO 8 1HG PRO 8 -17.569 3.449 4.248 34 HG3 PRO 8 2HG PRO 8 -18.729 4.572 4.980 35 HD2 PRO 8 1HD PRO 8 -17.374 2.728 6.428 36 HD3 PRO 8 2HD PRO 8 -19.016 3.255 6.850 37 H VAL 9 H VAL 9 -17.073 1.625 3.920 38 HA VAL 9 HA VAL 9 -17.155 -0.305 1.705 39 HB VAL 9 HB VAL 9 -16.303 1.926 1.131 40 HG11 VAL 9 1HG1 VAL 9 -14.702 3.033 2.269 41 HG12 VAL 9 2HG1 VAL 9 -15.198 1.977 3.593 42 HG13 VAL 9 3HG1 VAL 9 -13.787 1.567 2.618 43 HG21 VAL 9 1HG2 VAL 9 -14.558 -0.481 0.977 44 HG22 VAL 9 2HG2 VAL 9 -15.393 0.391 -0.308 45 HG23 VAL 9 3HG2 VAL 9 -13.925 1.061 0.403 46 H HIS 10 H HIS 10 -16.271 -2.244 1.960 47 HA HIS 10 HA HIS 10 -14.313 -2.618 4.132 48 HB2 HIS 10 1HB HIS 10 -15.165 -4.980 4.243 49 HB3 HIS 10 2HB HIS 10 -16.329 -3.758 4.747 50 HD1 HIS 10 1HD HIS 10 -18.460 -3.521 3.370 51 HD2 HIS 10 2HD HIS 10 -15.768 -6.261 1.786 52 HE1 HIS 10 1HE HIS 10 -19.725 -4.745 1.574 53 HE2 HIS 10 2HE HIS 10 -18.102 -6.456 0.688 54 H ILE 11 H ILE 11 -12.410 -3.536 3.632 55 HA ILE 11 HA ILE 11 -11.708 -3.893 0.892 56 HB ILE 11 HB ILE 11 -10.226 -4.351 3.468 57 HG12 ILE 11 1HG1 ILE 11 -9.335 -2.557 1.254 58 HG13 ILE 11 2HG1 ILE 11 -10.707 -2.051 2.233 59 HG21 ILE 11 1HG2 ILE 11 -8.231 -4.602 1.774 60 HG22 ILE 11 2HG2 ILE 11 -9.191 -5.998 2.261 61 HG23 ILE 11 3HG2 ILE 11 -9.500 -5.213 0.713 62 HD11 ILE 11 1HD1 ILE 11 -9.096 -2.616 4.218 63 HD12 ILE 11 2HD1 ILE 11 -7.854 -2.376 2.988 64 HD13 ILE 11 3HD1 ILE 11 -8.985 -1.076 3.365 65 H LEU 12 H LEU 12 -11.560 -5.700 -0.305 66 HA LEU 12 HA LEU 12 -12.536 -8.182 0.877 67 HB2 LEU 12 1HB LEU 12 -11.851 -7.934 -2.008 68 HB3 LEU 12 2HB LEU 12 -13.143 -8.848 -1.233 69 HG LEU 12 HG LEU 12 -13.150 -5.845 -1.474 70 HD11 LEU 12 1HD1 LEU 12 -13.930 -5.958 -3.555 71 HD12 LEU 12 2HD1 LEU 12 -15.023 -7.284 -3.157 72 HD13 LEU 12 3HD1 LEU 12 -13.344 -7.621 -3.581 73 HD21 LEU 12 1HD2 LEU 12 -15.609 -7.467 -1.218 74 HD22 LEU 12 2HD2 LEU 12 -15.214 -5.885 -0.544 75 HD23 LEU 12 3HD2 LEU 12 -14.581 -7.349 0.210 76 H SER 13 H SER 13 -9.692 -6.864 -0.720 77 HA SER 13 HA SER 13 -8.074 -8.994 0.385 78 HB2 SER 13 1HB SER 13 -8.886 -9.881 -1.818 79 HB3 SER 13 2HB SER 13 -8.061 -8.537 -2.606 80 HG SER 13 HG SER 13 -6.783 -10.450 -2.537 81 HA PRO 14 HA PRO 14 -5.981 -9.648 0.314 82 HB2 PRO 14 1HB PRO 14 -4.273 -9.218 2.380 83 HB3 PRO 14 2HB PRO 14 -3.753 -9.230 0.690 84 HG2 PRO 14 1HG PRO 14 -4.356 -6.900 2.470 85 HG3 PRO 14 2HG PRO 14 -3.020 -7.117 1.325 86 HD2 PRO 14 1HD PRO 14 -5.215 -5.644 0.739 87 HD3 PRO 14 2HD PRO 14 -4.321 -6.556 -0.494 88 H GLN 15 H GLN 15 -6.747 -10.930 2.003 89 HA GLN 15 HA GLN 15 -8.843 -9.813 3.561 90 HB2 GLN 15 1HB GLN 15 -7.540 -12.535 3.569 91 HB3 GLN 15 2HB GLN 15 -8.908 -12.122 4.594 92 HG2 GLN 15 1HG GLN 15 -10.306 -11.747 2.695 93 HG3 GLN 15 2HG GLN 15 -8.938 -11.914 1.595 94 HE21 GLN 15 1HE2 GLN 15 -11.081 -13.416 1.098 95 HE22 GLN 15 2HE2 GLN 15 -10.794 -15.070 1.505 96 H ASP 16 H ASP 16 -5.510 -10.667 4.212 97 HA ASP 16 HA ASP 16 -5.678 -9.264 6.760 98 HB2 ASP 16 1HB ASP 16 -4.538 -12.059 6.548 99 HB3 ASP 16 2HB ASP 16 -4.552 -11.049 7.991 100 H LYS 17 H LYS 17 -3.339 -9.263 7.766 101 HA LYS 17 HA LYS 17 -1.696 -7.755 6.155 102 HB2 LYS 17 1HB LYS 17 -1.336 -7.732 8.508 103 HB3 LYS 17 2HB LYS 17 -1.052 -9.467 8.553 104 HG2 LYS 17 1HG LYS 17 1.076 -8.606 8.750 105 HG3 LYS 17 2HG LYS 17 0.963 -8.935 7.020 106 HD2 LYS 17 1HD LYS 17 0.440 -6.598 6.591 107 HD3 LYS 17 2HD LYS 17 0.473 -6.255 8.322 108 HE2 LYS 17 1HE LYS 17 2.845 -6.947 8.374 109 HE3 LYS 17 2HE LYS 17 2.790 -7.183 6.627 110 HZ1 LYS 17 1HZ LYS 17 2.117 -4.790 6.477 111 HZ2 LYS 17 2HZ LYS 17 3.701 -5.055 7.005 112 HZ3 LYS 17 3HZ LYS 17 2.498 -4.638 8.118 113 H VAL 18 H VAL 18 0.088 -8.132 4.872 114 HA VAL 18 HA VAL 18 0.576 -10.947 4.142 115 HB VAL 18 HB VAL 18 1.135 -10.142 1.861 116 HG11 VAL 18 1HG1 VAL 18 -0.956 -11.027 1.796 117 HG12 VAL 18 2HG1 VAL 18 -1.568 -9.960 3.062 118 HG13 VAL 18 3HG1 VAL 18 -1.372 -9.356 1.416 119 HG21 VAL 18 1HG2 VAL 18 -0.165 -7.545 2.637 120 HG22 VAL 18 2HG2 VAL 18 1.584 -7.771 2.662 121 HG23 VAL 18 3HG2 VAL 18 0.694 -7.939 1.148 122 H SER 19 H SER 19 2.745 -11.105 2.873 123 HA SER 19 HA SER 19 4.781 -9.344 4.028 124 HB2 SER 19 1HB SER 19 4.829 -11.138 5.584 125 HB3 SER 19 2HB SER 19 4.678 -12.347 4.309 126 HG SER 19 HG SER 19 6.770 -11.721 3.596 127 H LEU 20 H LEU 20 6.343 -8.816 2.626 128 HA LEU 20 HA LEU 20 6.924 -10.544 0.354 129 HB2 LEU 20 1HB LEU 20 6.269 -7.639 -0.071 130 HB3 LEU 20 2HB LEU 20 6.581 -8.867 -1.297 131 HG LEU 20 HG LEU 20 4.240 -9.227 0.510 132 HD11 LEU 20 1HD1 LEU 20 2.924 -7.923 -1.258 133 HD12 LEU 20 2HD1 LEU 20 4.469 -7.179 -1.668 134 HD13 LEU 20 3HD1 LEU 20 3.810 -7.002 -0.042 135 HD21 LEU 20 1HD2 LEU 20 3.343 -9.998 -1.793 136 HD22 LEU 20 2HD2 LEU 20 4.505 -11.014 -0.940 137 HD23 LEU 20 3HD2 LEU 20 5.040 -9.987 -2.271 138 H THR 21 H THR 21 8.980 -10.292 -0.475 139 HA THR 21 HA THR 21 10.687 -8.297 0.864 140 HB THR 21 HB THR 21 11.605 -11.066 0.084 141 HG1 THR 21 1HG THR 21 10.367 -10.115 2.411 142 HG21 THR 21 1HG2 THR 21 13.546 -9.877 0.281 143 HG22 THR 21 2HG2 THR 21 13.304 -10.288 1.979 144 HG23 THR 21 3HG2 THR 21 12.839 -8.696 1.382 145 H PHE 22 H PHE 22 12.481 -7.522 -0.333 146 HA PHE 22 HA PHE 22 12.786 -8.289 -3.102 147 HB2 PHE 22 1HB PHE 22 11.898 -5.481 -2.407 148 HB3 PHE 22 2HB PHE 22 12.343 -6.057 -4.010 149 HD1 PHE 22 2HD PHE 22 10.860 -7.491 -5.273 150 HD2 PHE 22 1HD PHE 22 9.788 -6.081 -1.403 151 HE1 PHE 22 2HE PHE 22 8.526 -8.153 -5.682 152 HE2 PHE 22 1HE PHE 22 7.452 -6.742 -1.806 153 HZ PHE 22 HZ PHE 22 6.818 -7.778 -3.948 154 H THR 23 H THR 23 14.424 -6.664 -4.166 155 HA THR 23 HA THR 23 16.552 -6.189 -2.184 156 HB THR 23 HB THR 23 16.930 -6.731 -5.133 157 HG1 THR 23 1HG THR 23 16.715 -8.766 -4.628 158 HG21 THR 23 1HG2 THR 23 19.239 -7.413 -3.842 159 HG22 THR 23 2HG2 THR 23 18.702 -6.016 -2.909 160 HG23 THR 23 3HG2 THR 23 18.951 -5.872 -4.649 161 H THR 24 H THR 24 17.637 -4.265 -2.179 162 HA THR 24 HA THR 24 16.423 -1.927 -2.856 163 HB THR 24 HB THR 24 19.410 -2.403 -2.822 164 HG1 THR 24 1HG THR 24 19.056 -1.502 -0.625 165 HG21 THR 24 1HG2 THR 24 19.746 -0.121 -2.711 166 HG22 THR 24 2HG2 THR 24 18.106 0.200 -2.149 167 HG23 THR 24 3HG2 THR 24 18.393 -0.214 -3.838 168 H SER 25 H SER 25 16.308 -0.571 -4.590 169 HA SER 25 HA SER 25 16.506 0.199 -6.733 170 HB2 SER 25 1HB SER 25 18.991 -0.623 -6.310 171 HB3 SER 25 2HB SER 25 18.533 -1.867 -7.473 172 HG SER 25 HG SER 25 17.817 -0.035 -8.819 173 H GLU 26 H GLU 26 14.643 -1.809 -5.967 174 HA GLU 26 HA GLU 26 14.349 -3.270 -8.510 175 HB2 GLU 26 1HB GLU 26 13.649 -4.095 -5.700 176 HB3 GLU 26 2HB GLU 26 12.912 -4.864 -7.099 177 HG2 GLU 26 1HG GLU 26 15.887 -4.686 -6.772 178 HG3 GLU 26 2HG GLU 26 14.941 -5.993 -6.061 179 H ARG 27 H ARG 27 11.879 -4.017 -8.642 180 HA ARG 27 HA ARG 27 10.318 -1.538 -8.387 181 HB2 ARG 27 1HB ARG 27 10.747 -2.603 -10.676 182 HB3 ARG 27 2HB ARG 27 9.642 -3.872 -10.166 183 HG2 ARG 27 1HG ARG 27 7.975 -1.989 -9.711 184 HG3 ARG 27 2HG ARG 27 9.064 -0.975 -10.659 185 HD2 ARG 27 1HD ARG 27 8.893 -2.684 -12.492 186 HD3 ARG 27 2HD ARG 27 7.622 -3.464 -11.551 187 HE ARG 27 HE ARG 27 6.178 -1.830 -12.232 188 HH11 ARG 27 2HH1 ARG 27 9.442 -0.739 -12.757 189 HH12 ARG 27 1HH1 ARG 27 8.965 0.697 -13.601 190 HH21 ARG 27 2HH2 ARG 27 5.538 0.057 -13.342 191 HH22 ARG 27 1HH2 ARG 27 6.744 1.149 -13.933 192 H VAL 28 H VAL 28 8.762 -1.482 -6.915 193 HA VAL 28 HA VAL 28 7.594 -4.032 -6.005 194 HB VAL 28 HB VAL 28 7.959 -1.496 -4.402 195 HG11 VAL 28 1HG1 VAL 28 6.834 -4.184 -3.622 196 HG12 VAL 28 2HG1 VAL 28 7.175 -2.860 -2.506 197 HG13 VAL 28 3HG1 VAL 28 5.941 -2.668 -3.753 198 HG21 VAL 28 1HG2 VAL 28 9.759 -2.458 -3.342 199 HG22 VAL 28 2HG2 VAL 28 9.255 -4.101 -3.739 200 HG23 VAL 28 3HG2 VAL 28 9.969 -3.073 -4.981 201 H VAL 29 H VAL 29 5.481 -4.281 -6.307 202 HA VAL 29 HA VAL 29 3.778 -1.898 -6.541 203 HB VAL 29 HB VAL 29 3.549 -4.277 -8.386 204 HG11 VAL 29 1HG1 VAL 29 1.464 -3.439 -8.527 205 HG12 VAL 29 2HG1 VAL 29 1.937 -1.868 -7.877 206 HG13 VAL 29 3HG1 VAL 29 2.225 -2.243 -9.576 207 HG21 VAL 29 1HG2 VAL 29 5.499 -3.269 -9.137 208 HG22 VAL 29 2HG2 VAL 29 4.259 -2.476 -10.108 209 HG23 VAL 29 3HG2 VAL 29 4.947 -1.649 -8.710 210 H LEU 30 H LEU 30 2.347 -2.036 -4.949 211 HA LEU 30 HA LEU 30 1.560 -4.604 -3.864 212 HB2 LEU 30 1HB LEU 30 0.788 -1.789 -3.116 213 HB3 LEU 30 2HB LEU 30 0.267 -3.233 -2.251 214 HG LEU 30 HG LEU 30 3.154 -2.419 -2.554 215 HD11 LEU 30 1HD1 LEU 30 1.154 -1.186 -0.985 216 HD12 LEU 30 2HD1 LEU 30 2.895 -0.907 -0.958 217 HD13 LEU 30 3HD1 LEU 30 2.180 -2.120 0.104 218 HD21 LEU 30 1HD2 LEU 30 1.712 -4.662 -1.311 219 HD22 LEU 30 2HD2 LEU 30 2.967 -3.923 -0.315 220 HD23 LEU 30 3HD2 LEU 30 3.368 -4.565 -1.909 221 H THR 31 H THR 31 -0.979 -4.423 -3.131 222 HA THR 31 HA THR 31 -2.699 -3.503 -5.243 223 HB THR 31 HB THR 31 -2.624 -6.486 -4.811 224 HG1 THR 31 1HG THR 31 -1.726 -6.139 -7.163 225 HG21 THR 31 1HG2 THR 31 -4.018 -6.587 -6.751 226 HG22 THR 31 2HG2 THR 31 -3.789 -4.869 -7.074 227 HG23 THR 31 3HG2 THR 31 -4.713 -5.385 -5.665 228 H CYS 32 H CYS 32 -4.747 -3.210 -4.532 229 HA CYS 32 HA CYS 32 -5.676 -4.615 -2.156 230 HB2 CYS 32 1HB CYS 32 -4.746 -2.769 -1.043 231 HB3 CYS 32 2HB CYS 32 -5.223 -1.647 -2.312 232 HG CYS 32 HG CYS 32 -7.346 -3.138 -0.079 233 H GLU 33 H GLU 33 -7.913 -4.705 -1.960 234 HA GLU 33 HA GLU 33 -9.425 -3.571 -4.222 235 HB2 GLU 33 1HB GLU 33 -9.080 -6.065 -4.317 236 HB3 GLU 33 2HB GLU 33 -10.026 -6.188 -2.841 237 HG2 GLU 33 1HG GLU 33 -11.989 -5.505 -3.896 238 HG3 GLU 33 2HG GLU 33 -11.121 -4.838 -5.277 239 H LEU 34 H LEU 34 -11.670 -3.103 -3.812 240 HA LEU 34 HA LEU 34 -12.317 -2.739 -0.964 241 HB2 LEU 34 1HB LEU 34 -12.800 -0.762 -3.189 242 HB3 LEU 34 2HB LEU 34 -13.364 -0.587 -1.528 243 HG LEU 34 HG LEU 34 -10.457 -0.714 -2.319 244 HD11 LEU 34 1HD1 LEU 34 -11.106 1.841 -1.387 245 HD12 LEU 34 2HD1 LEU 34 -12.349 1.433 -2.569 246 HD13 LEU 34 3HD1 LEU 34 -10.646 1.379 -3.026 247 HD21 LEU 34 1HD2 LEU 34 -10.170 0.275 -0.044 248 HD22 LEU 34 2HD2 LEU 34 -10.780 -1.380 -0.048 249 HD23 LEU 34 3HD2 LEU 34 -11.882 -0.035 0.247 250 H SER 35 H SER 35 -14.716 -2.197 -0.695 251 HA SER 35 HA SER 35 -16.216 -4.260 -2.042 252 HB2 SER 35 1HB SER 35 -16.464 -3.800 0.397 253 HB3 SER 35 2HB SER 35 -17.174 -2.237 -0.003 254 HG SER 35 HG SER 35 -18.876 -3.304 -1.006 255 H ARG 36 H ARG 36 -16.039 -0.759 -2.065 256 HA ARG 36 HA ARG 36 -18.031 -0.728 -4.237 257 HB2 ARG 36 1HB ARG 36 -18.129 1.814 -3.416 258 HB3 ARG 36 2HB ARG 36 -19.150 0.558 -2.729 259 HG2 ARG 36 1HG ARG 36 -17.408 0.257 -0.947 260 HG3 ARG 36 2HG ARG 36 -16.621 1.704 -1.580 261 HD2 ARG 36 1HD ARG 36 -17.955 2.497 0.166 262 HD3 ARG 36 2HD ARG 36 -18.895 2.842 -1.285 263 HE ARG 36 HE ARG 36 -19.507 0.878 0.772 264 HH11 ARG 36 2HH1 ARG 36 -20.241 2.212 -2.359 265 HH12 ARG 36 1HH1 ARG 36 -21.841 1.550 -2.410 266 HH21 ARG 36 2HH2 ARG 36 -21.613 0.001 0.716 267 HH22 ARG 36 1HH2 ARG 36 -22.621 0.294 -0.660 268 H VAL 37 H VAL 37 -17.639 0.631 -6.006 269 HA VAL 37 HA VAL 37 -14.825 1.107 -6.521 270 HB VAL 37 HB VAL 37 -16.685 0.166 -8.155 271 HG11 VAL 37 1HG1 VAL 37 -16.722 3.095 -8.850 272 HG12 VAL 37 2HG1 VAL 37 -17.642 1.792 -9.604 273 HG13 VAL 37 3HG1 VAL 37 -18.009 2.292 -7.952 274 HG21 VAL 37 1HG2 VAL 37 -14.133 0.771 -8.445 275 HG22 VAL 37 2HG2 VAL 37 -15.146 0.378 -9.835 276 HG23 VAL 37 3HG2 VAL 37 -14.793 2.062 -9.448 277 H ASP 38 H ASP 38 -14.326 3.179 -7.818 278 HA ASP 38 HA ASP 38 -13.907 5.416 -7.603 279 HB2 ASP 38 1HB ASP 38 -15.817 6.836 -7.979 280 HB3 ASP 38 2HB ASP 38 -16.040 5.354 -8.906 281 H PHE 39 H PHE 39 -13.448 4.237 -5.224 282 HA PHE 39 HA PHE 39 -14.685 6.043 -3.253 283 HB2 PHE 39 1HB PHE 39 -14.778 3.366 -3.146 284 HB3 PHE 39 2HB PHE 39 -13.233 3.617 -2.340 285 HD1 PHE 39 1HD PHE 39 -13.115 4.774 -0.206 286 HD2 PHE 39 2HD PHE 39 -16.844 4.052 -2.128 287 HE1 PHE 39 1HE PHE 39 -14.292 5.278 1.895 288 HE2 PHE 39 2HE PHE 39 -18.026 4.556 -0.030 289 HZ PHE 39 HZ PHE 39 -16.751 5.171 1.985 290 HA PRO 40 HA PRO 40 -10.738 7.940 -2.742 291 HB2 PRO 40 1HB PRO 40 -11.172 9.106 -0.329 292 HB3 PRO 40 2HB PRO 40 -11.884 9.710 -1.830 293 HG2 PRO 40 1HG PRO 40 -13.112 7.992 0.292 294 HG3 PRO 40 2HG PRO 40 -13.812 9.372 -0.574 295 HD2 PRO 40 1HD PRO 40 -14.374 6.805 -1.228 296 HD3 PRO 40 2HD PRO 40 -14.322 8.108 -2.433 297 H ALA 41 H ALA 41 -8.822 7.760 -1.527 298 HA ALA 41 HA ALA 41 -8.596 6.356 0.907 299 HB1 ALA 41 1HB ALA 41 -7.650 4.267 0.203 300 HB2 ALA 41 2HB ALA 41 -9.229 4.454 -0.561 301 HB3 ALA 41 3HB ALA 41 -7.759 4.738 -1.493 302 H THR 42 H THR 42 -6.464 6.299 1.692 303 HA THR 42 HA THR 42 -4.429 7.547 -0.027 304 HB THR 42 HB THR 42 -4.867 8.271 2.876 305 HG1 THR 42 1HG THR 42 -6.455 9.047 1.208 306 HG21 THR 42 1HG2 THR 42 -2.939 9.410 2.787 307 HG22 THR 42 2HG2 THR 42 -3.310 10.073 1.196 308 HG23 THR 42 3HG2 THR 42 -2.585 8.471 1.338 309 H TRP 43 H TRP 43 -2.323 6.888 0.306 310 HA TRP 43 HA TRP 43 -2.032 4.399 1.787 311 HB2 TRP 43 1HB TRP 43 -0.285 5.831 -0.212 312 HB3 TRP 43 2HB TRP 43 0.262 4.408 0.671 313 HD1 TRP 43 HD TRP 43 -2.244 5.469 -2.032 314 HE1 TRP 43 1HE TRP 43 -2.998 3.369 -3.315 315 HE3 TRP 43 3HE TRP 43 -0.005 1.900 0.865 316 HZ2 TRP 43 2HZ TRP 43 -2.686 0.570 -3.124 317 HZ3 TRP 43 3HZ TRP 43 -0.283 -0.465 0.246 318 HH2 TRP 43 HH TRP 43 -1.596 -1.115 -1.707 319 H TYR 44 H TYR 44 -0.721 4.098 3.530 320 HA TYR 44 HA TYR 44 0.800 6.413 4.515 321 HB2 TYR 44 1HB TYR 44 -1.127 4.699 6.089 322 HB3 TYR 44 2HB TYR 44 0.055 5.765 6.841 323 HD1 TYR 44 2HD TYR 44 -0.138 8.220 6.558 324 HD2 TYR 44 1HD TYR 44 -3.133 5.561 5.121 325 HE1 TYR 44 2HE TYR 44 -1.714 10.100 6.382 326 HE2 TYR 44 1HE TYR 44 -4.717 7.434 4.939 327 HH TYR 44 HH TYR 44 -3.823 10.703 5.982 328 H LYS 45 H LYS 45 2.728 5.958 5.481 329 HA LYS 45 HA LYS 45 3.471 3.114 5.693 330 HB2 LYS 45 1HB LYS 45 4.488 4.394 3.740 331 HB3 LYS 45 2HB LYS 45 5.377 5.326 4.938 332 HG2 LYS 45 1HG LYS 45 6.092 2.941 5.782 333 HG3 LYS 45 2HG LYS 45 5.695 2.486 4.123 334 HD2 LYS 45 1HD LYS 45 7.335 3.883 3.222 335 HD3 LYS 45 2HD LYS 45 7.466 4.837 4.702 336 HE2 LYS 45 1HE LYS 45 8.130 1.942 4.833 337 HE3 LYS 45 2HE LYS 45 9.277 3.021 4.040 338 HZ1 LYS 45 1HZ LYS 45 8.515 2.861 6.852 339 HZ2 LYS 45 2HZ LYS 45 8.840 4.402 6.234 340 HZ3 LYS 45 3HZ LYS 45 10.021 3.193 6.156 341 H ASP 46 H ASP 46 4.159 2.496 7.632 342 HA ASP 46 HA ASP 46 4.792 2.563 9.818 343 HB2 ASP 46 1HB ASP 46 6.859 3.488 8.535 344 HB3 ASP 46 2HB ASP 46 6.388 5.037 9.229 345 H GLY 47 H GLY 47 2.415 4.057 9.009 346 HA2 GLY 47 1HA GLY 47 0.829 5.255 10.194 347 HA3 GLY 47 2HA GLY 47 2.017 5.496 11.466 348 H GLN 48 H GLN 48 2.850 6.357 8.223 349 HA GLN 48 HA GLN 48 2.350 9.192 8.830 350 HB2 GLN 48 1HB GLN 48 4.856 8.007 7.625 351 HB3 GLN 48 2HB GLN 48 4.510 9.729 7.713 352 HG2 GLN 48 1HG GLN 48 4.412 8.167 10.231 353 HG3 GLN 48 2HG GLN 48 5.991 8.493 9.518 354 HE21 GLN 48 1HE2 GLN 48 4.758 9.464 12.004 355 HE22 GLN 48 2HE2 GLN 48 4.808 11.188 11.906 356 H LYS 49 H LYS 49 1.912 10.533 7.063 357 HA LYS 49 HA LYS 49 0.571 9.266 4.895 358 HB2 LYS 49 1HB LYS 49 -0.187 11.409 5.804 359 HB3 LYS 49 2HB LYS 49 1.319 12.168 5.306 360 HG2 LYS 49 1HG LYS 49 0.752 11.679 2.956 361 HG3 LYS 49 2HG LYS 49 -0.792 11.015 3.494 362 HD2 LYS 49 1HD LYS 49 -1.278 13.221 2.855 363 HD3 LYS 49 2HD LYS 49 -1.176 13.277 4.616 364 HE2 LYS 49 1HE LYS 49 1.244 13.969 4.310 365 HE3 LYS 49 2HE LYS 49 0.864 14.193 2.603 366 HZ1 LYS 49 1HZ LYS 49 0.617 16.102 4.451 367 HZ2 LYS 49 2HZ LYS 49 -0.955 15.479 4.455 368 HZ3 LYS 49 3HZ LYS 49 -0.281 16.062 3.017 369 H VAL 50 H VAL 50 1.276 8.748 2.919 370 HA VAL 50 HA VAL 50 4.078 9.074 2.304 371 HB VAL 50 HB VAL 50 3.711 7.636 0.438 372 HG11 VAL 50 1HG1 VAL 50 2.208 5.813 1.605 373 HG12 VAL 50 2HG1 VAL 50 3.796 6.237 2.249 374 HG13 VAL 50 3HG1 VAL 50 2.338 6.912 2.978 375 HG21 VAL 50 1HG2 VAL 50 1.420 6.915 -0.214 376 HG22 VAL 50 2HG2 VAL 50 0.770 8.139 0.877 377 HG23 VAL 50 3HG2 VAL 50 1.740 8.623 -0.514 378 H GLU 51 H GLU 51 4.856 9.949 0.280 379 HA GLU 51 HA GLU 51 3.217 12.219 -0.629 380 HB2 GLU 51 1HB GLU 51 5.141 13.179 0.228 381 HB3 GLU 51 2HB GLU 51 6.160 11.836 -0.273 382 HG2 GLU 51 1HG GLU 51 6.373 12.617 -2.424 383 HG3 GLU 51 2HG GLU 51 4.881 13.553 -2.345 384 H GLU 52 H GLU 52 2.490 12.219 -2.649 385 HA GLU 52 HA GLU 52 3.155 10.069 -4.431 386 HB2 GLU 52 1HB GLU 52 1.266 12.389 -4.510 387 HB3 GLU 52 2HB GLU 52 1.631 11.525 -5.997 388 HG2 GLU 52 1HG GLU 52 0.649 9.565 -5.255 389 HG3 GLU 52 2HG GLU 52 0.761 10.033 -3.560 390 H SER 53 H SER 53 4.921 10.063 -5.641 391 HA SER 53 HA SER 53 5.601 12.384 -7.235 392 HB2 SER 53 1HB SER 53 6.807 12.427 -4.886 393 HB3 SER 53 2HB SER 53 7.866 11.239 -5.648 394 HG SER 53 HG SER 53 8.750 12.790 -6.744 395 H GLU 54 H GLU 54 7.906 11.733 -8.346 396 HA GLU 54 HA GLU 54 7.296 9.661 -10.116 397 HB2 GLU 54 1HB GLU 54 9.539 9.923 -10.977 398 HB3 GLU 54 2HB GLU 54 8.878 11.507 -10.596 399 HG2 GLU 54 1HG GLU 54 10.159 11.595 -8.553 400 HG3 GLU 54 2HG GLU 54 10.755 9.959 -8.825 401 H LEU 55 H LEU 55 9.165 9.672 -7.141 402 HA LEU 55 HA LEU 55 10.088 6.963 -7.484 403 HB2 LEU 55 1HB LEU 55 10.149 8.755 -5.061 404 HB3 LEU 55 2HB LEU 55 10.997 7.218 -5.227 405 HG LEU 55 HG LEU 55 11.536 9.600 -6.991 406 HD11 LEU 55 1HD1 LEU 55 12.688 8.835 -4.336 407 HD12 LEU 55 2HD1 LEU 55 12.148 10.414 -4.903 408 HD13 LEU 55 3HD1 LEU 55 13.645 9.719 -5.524 409 HD21 LEU 55 1HD2 LEU 55 12.193 6.993 -7.360 410 HD22 LEU 55 2HD2 LEU 55 13.594 7.575 -6.460 411 HD23 LEU 55 3HD2 LEU 55 13.130 8.357 -7.971 412 H LEU 56 H LEU 56 7.186 8.333 -6.595 413 HA LEU 56 HA LEU 56 6.304 5.813 -5.399 414 HB2 LEU 56 1HB LEU 56 6.840 7.770 -3.722 415 HB3 LEU 56 2HB LEU 56 5.260 8.353 -4.243 416 HG LEU 56 HG LEU 56 5.487 5.540 -3.292 417 HD11 LEU 56 1HD1 LEU 56 4.837 6.829 -1.003 418 HD12 LEU 56 2HD1 LEU 56 6.046 7.925 -1.671 419 HD13 LEU 56 3HD1 LEU 56 6.452 6.233 -1.386 420 HD21 LEU 56 1HD2 LEU 56 3.236 5.876 -2.626 421 HD22 LEU 56 2HD2 LEU 56 3.398 6.579 -4.236 422 HD23 LEU 56 3HD2 LEU 56 3.369 7.625 -2.815 423 H VAL 57 H VAL 57 4.926 5.142 -6.925 424 HA VAL 57 HA VAL 57 3.056 7.072 -8.107 425 HB VAL 57 HB VAL 57 3.442 4.230 -9.019 426 HG11 VAL 57 1HG1 VAL 57 1.734 4.840 -10.320 427 HG12 VAL 57 2HG1 VAL 57 1.916 6.545 -9.903 428 HG13 VAL 57 3HG1 VAL 57 2.900 5.840 -11.186 429 HG21 VAL 57 1HG2 VAL 57 4.857 5.657 -10.824 430 HG22 VAL 57 2HG2 VAL 57 5.234 6.544 -9.347 431 HG23 VAL 57 3HG2 VAL 57 5.576 4.817 -9.451 432 H VAL 58 H VAL 58 0.858 6.821 -7.986 433 HA VAL 58 HA VAL 58 -0.155 4.581 -6.368 434 HB VAL 58 HB VAL 58 -0.999 7.470 -6.098 435 HG11 VAL 58 1HG1 VAL 58 -2.904 6.739 -5.229 436 HG12 VAL 58 2HG1 VAL 58 -2.426 5.075 -5.568 437 HG13 VAL 58 3HG1 VAL 58 -2.007 5.816 -4.023 438 HG21 VAL 58 1HG2 VAL 58 1.212 6.436 -5.032 439 HG22 VAL 58 2HG2 VAL 58 0.216 7.616 -4.181 440 HG23 VAL 58 3HG2 VAL 58 0.053 5.898 -3.817 441 H LYS 59 H LYS 59 -1.251 3.432 -7.846 442 HA LYS 59 HA LYS 59 -2.965 4.835 -9.765 443 HB2 LYS 59 1HB LYS 59 -2.192 1.913 -9.655 444 HB3 LYS 59 2HB LYS 59 -3.089 2.699 -10.948 445 HG2 LYS 59 1HG LYS 59 -0.385 3.720 -10.222 446 HG3 LYS 59 2HG LYS 59 -0.532 2.250 -11.188 447 HD2 LYS 59 1HD LYS 59 -1.973 3.511 -12.777 448 HD3 LYS 59 2HD LYS 59 -1.646 4.976 -11.847 449 HE2 LYS 59 1HE LYS 59 0.690 4.850 -12.353 450 HE3 LYS 59 2HE LYS 59 0.498 3.260 -13.088 451 HZ1 LYS 59 1HZ LYS 59 0.542 5.530 -14.473 452 HZ2 LYS 59 2HZ LYS 59 -1.124 5.378 -14.228 453 HZ3 LYS 59 3HZ LYS 59 -0.266 4.138 -14.995 454 H MET 60 H MET 60 -5.149 4.646 -9.779 455 HA MET 60 HA MET 60 -6.398 2.786 -7.885 456 HB2 MET 60 1HB MET 60 -6.446 4.785 -6.639 457 HB3 MET 60 2HB MET 60 -6.823 5.759 -8.054 458 HG2 MET 60 1HG MET 60 -9.029 4.511 -8.138 459 HG3 MET 60 2HG MET 60 -8.631 3.916 -6.528 460 HE1 MET 60 1HE MET 60 -11.420 5.976 -7.096 461 HE2 MET 60 2HE MET 60 -10.808 7.563 -7.562 462 HE3 MET 60 3HE MET 60 -10.396 6.141 -8.523 463 H ASP 61 H ASP 61 -7.544 1.476 -9.152 464 HA ASP 61 HA ASP 61 -8.967 2.613 -11.457 465 HB2 ASP 61 1HB ASP 61 -7.803 -0.059 -10.854 466 HB3 ASP 61 2HB ASP 61 -9.252 -0.014 -11.855 467 H GLY 62 H GLY 62 -10.331 3.391 -9.433 468 HA2 GLY 62 1HA GLY 62 -12.589 3.356 -8.829 469 HA3 GLY 62 2HA GLY 62 -12.709 1.722 -9.464 470 H ARG 63 H ARG 63 -12.188 -0.036 -8.146 471 HA ARG 63 HA ARG 63 -12.068 0.620 -5.279 472 HB2 ARG 63 1HB ARG 63 -12.983 -1.748 -5.014 473 HB3 ARG 63 2HB ARG 63 -14.077 -0.542 -5.678 474 HG2 ARG 63 1HG ARG 63 -13.875 -1.409 -7.858 475 HG3 ARG 63 2HG ARG 63 -12.477 -2.391 -7.418 476 HD2 ARG 63 1HD ARG 63 -14.191 -3.439 -5.708 477 HD3 ARG 63 2HD ARG 63 -15.369 -2.839 -6.874 478 HE ARG 63 HE ARG 63 -13.719 -5.120 -7.164 479 HH11 ARG 63 2HH1 ARG 63 -15.057 -2.456 -8.963 480 HH12 ARG 63 1HH1 ARG 63 -15.057 -3.306 -10.473 481 HH21 ARG 63 2HH2 ARG 63 -13.714 -6.249 -9.146 482 HH22 ARG 63 1HH2 ARG 63 -14.294 -5.463 -10.576 483 H LYS 64 H LYS 64 -10.068 -0.229 -7.665 484 HA LYS 64 HA LYS 64 -8.519 -2.121 -6.025 485 HB2 LYS 64 1HB LYS 64 -8.676 -1.652 -8.987 486 HB3 LYS 64 2HB LYS 64 -7.258 -2.416 -8.281 487 HG2 LYS 64 1HG LYS 64 -9.094 -3.951 -7.155 488 HG3 LYS 64 2HG LYS 64 -10.026 -3.439 -8.564 489 HD2 LYS 64 1HD LYS 64 -8.995 -5.342 -9.360 490 HD3 LYS 64 2HD LYS 64 -7.861 -4.090 -9.873 491 HE2 LYS 64 1HE LYS 64 -6.568 -4.526 -7.776 492 HE3 LYS 64 2HE LYS 64 -7.632 -5.898 -7.472 493 HZ1 LYS 64 1HZ LYS 64 -5.385 -5.720 -9.201 494 HZ2 LYS 64 2HZ LYS 64 -6.757 -6.207 -10.060 495 HZ3 LYS 64 3HZ LYS 64 -6.249 -7.088 -8.708 496 H HIS 65 H HIS 65 -7.170 -0.971 -4.777 497 HA HIS 65 HA HIS 65 -5.691 1.260 -5.995 498 HB2 HIS 65 1HB HIS 65 -6.187 0.590 -3.088 499 HB3 HIS 65 2HB HIS 65 -5.191 1.930 -3.647 500 HD1 HIS 65 1HD HIS 65 -6.386 4.084 -3.737 501 HD2 HIS 65 2HD HIS 65 -8.975 0.870 -4.215 502 HE1 HIS 65 1HE HIS 65 -8.684 5.091 -3.907 503 HE2 HIS 65 2HE HIS 65 -10.242 3.123 -4.109 504 H ARG 66 H ARG 66 -3.571 1.090 -6.350 505 HA ARG 66 HA ARG 66 -2.004 -0.878 -4.861 506 HB2 ARG 66 1HB ARG 66 -0.907 -1.523 -7.089 507 HB3 ARG 66 2HB ARG 66 -2.494 -2.194 -6.738 508 HG2 ARG 66 1HG ARG 66 -3.552 -0.837 -8.296 509 HG3 ARG 66 2HG ARG 66 -2.219 0.318 -8.338 510 HD2 ARG 66 1HD ARG 66 -1.855 -0.784 -10.309 511 HD3 ARG 66 2HD ARG 66 -0.881 -1.770 -9.219 512 HE ARG 66 HE ARG 66 -3.363 -2.931 -9.208 513 HH11 ARG 66 2HH1 ARG 66 -0.986 -2.146 -11.627 514 HH12 ARG 66 1HH1 ARG 66 -1.421 -3.460 -12.669 515 HH21 ARG 66 2HH2 ARG 66 -3.945 -4.666 -10.570 516 HH22 ARG 66 1HH2 ARG 66 -3.105 -4.893 -12.067 517 H LEU 67 H LEU 67 0.089 -0.282 -4.508 518 HA LEU 67 HA LEU 67 0.870 2.361 -5.535 519 HB2 LEU 67 1HB LEU 67 0.615 1.770 -2.998 520 HB3 LEU 67 2HB LEU 67 2.207 1.046 -3.213 521 HG LEU 67 HG LEU 67 1.653 3.911 -3.934 522 HD11 LEU 67 1HD1 LEU 67 1.921 2.689 -1.279 523 HD12 LEU 67 2HD1 LEU 67 1.245 4.247 -1.753 524 HD13 LEU 67 3HD1 LEU 67 2.990 4.059 -1.582 525 HD21 LEU 67 1HD2 LEU 67 4.264 2.912 -2.957 526 HD22 LEU 67 2HD2 LEU 67 3.898 4.118 -4.191 527 HD23 LEU 67 3HD2 LEU 67 3.758 2.400 -4.567 528 H ILE 68 H ILE 68 2.389 2.392 -7.041 529 HA ILE 68 HA ILE 68 4.165 0.075 -7.324 530 HB ILE 68 HB ILE 68 3.330 2.244 -9.228 531 HG12 ILE 68 1HG1 ILE 68 3.430 -0.674 -9.853 532 HG13 ILE 68 2HG1 ILE 68 2.163 -0.094 -8.778 533 HG21 ILE 68 1HG2 ILE 68 5.585 0.283 -9.628 534 HG22 ILE 68 2HG2 ILE 68 4.939 1.377 -10.849 535 HG23 ILE 68 3HG2 ILE 68 5.753 2.027 -9.426 536 HD11 ILE 68 1HD1 ILE 68 2.660 1.108 -11.481 537 HD12 ILE 68 2HD1 ILE 68 1.580 -0.262 -11.223 538 HD13 ILE 68 3HD1 ILE 68 1.244 1.285 -10.446 539 H LEU 69 H LEU 69 6.415 0.337 -7.598 540 HA LEU 69 HA LEU 69 7.529 2.958 -6.910 541 HB2 LEU 69 1HB LEU 69 8.046 0.367 -5.480 542 HB3 LEU 69 2HB LEU 69 9.171 1.721 -5.410 543 HG LEU 69 HG LEU 69 6.300 2.024 -4.585 544 HD11 LEU 69 1HD1 LEU 69 7.407 0.135 -3.348 545 HD12 LEU 69 2HD1 LEU 69 6.842 1.471 -2.346 546 HD13 LEU 69 3HD1 LEU 69 8.557 1.319 -2.725 547 HD21 LEU 69 1HD2 LEU 69 6.976 4.131 -4.364 548 HD22 LEU 69 2HD2 LEU 69 8.655 3.692 -4.677 549 HD23 LEU 69 3HD2 LEU 69 8.006 3.588 -3.039 550 HA PRO 70 HA PRO 70 10.042 1.725 -10.384 551 HB2 PRO 70 1HB PRO 70 11.480 4.025 -10.500 552 HB3 PRO 70 2HB PRO 70 9.828 3.894 -11.113 553 HG2 PRO 70 1HG PRO 70 10.798 5.004 -8.508 554 HG3 PRO 70 2HG PRO 70 9.563 5.645 -9.607 555 HD2 PRO 70 1HD PRO 70 8.941 4.265 -7.362 556 HD3 PRO 70 2HD PRO 70 7.942 4.203 -8.828 557 H GLU 71 H GLU 71 11.358 3.164 -7.421 558 HA GLU 71 HA GLU 71 13.630 1.315 -7.620 559 HB2 GLU 71 1HB GLU 71 14.258 3.650 -8.353 560 HB3 GLU 71 2HB GLU 71 13.914 4.179 -6.713 561 HG2 GLU 71 1HG GLU 71 15.599 2.396 -5.987 562 HG3 GLU 71 2HG GLU 71 16.092 2.367 -7.679 563 H ALA 72 H ALA 72 12.775 -0.026 -6.052 564 HA ALA 72 HA ALA 72 11.761 0.911 -3.565 565 HB1 ALA 72 1HB ALA 72 11.113 -1.248 -4.533 566 HB2 ALA 72 2HB ALA 72 12.755 -1.843 -4.288 567 HB3 ALA 72 3HB ALA 72 11.753 -1.425 -2.899 568 H LYS 73 H LYS 73 13.116 2.102 -2.339 569 HA LYS 73 HA LYS 73 15.865 1.212 -1.929 570 HB2 LYS 73 1HB LYS 73 14.458 3.693 -0.923 571 HB3 LYS 73 2HB LYS 73 16.179 3.357 -0.788 572 HG2 LYS 73 1HG LYS 73 16.225 3.260 -3.314 573 HG3 LYS 73 2HG LYS 73 14.591 3.928 -3.273 574 HD2 LYS 73 1HD LYS 73 16.737 5.288 -1.715 575 HD3 LYS 73 2HD LYS 73 16.699 5.495 -3.468 576 HE2 LYS 73 1HE LYS 73 15.424 7.276 -2.664 577 HE3 LYS 73 2HE LYS 73 14.223 6.080 -3.147 578 HZ1 LYS 73 1HZ LYS 73 14.836 5.532 -0.511 579 HZ2 LYS 73 2HZ LYS 73 13.409 6.216 -1.107 580 HZ3 LYS 73 3HZ LYS 73 14.675 7.214 -0.594 581 H VAL 74 H VAL 74 16.739 1.261 0.314 582 HA VAL 74 HA VAL 74 15.434 -0.552 1.966 583 HB VAL 74 HB VAL 74 17.487 1.493 2.822 584 HG11 VAL 74 1HG1 VAL 74 17.889 0.202 4.709 585 HG12 VAL 74 2HG1 VAL 74 16.131 0.143 4.563 586 HG13 VAL 74 3HG1 VAL 74 17.109 -1.223 4.023 587 HG21 VAL 74 1HG2 VAL 74 18.586 -1.099 2.427 588 HG22 VAL 74 2HG2 VAL 74 17.702 -0.644 0.971 589 HG23 VAL 74 3HG2 VAL 74 18.978 0.403 1.590 590 H GLN 75 H GLN 75 15.261 2.942 1.870 591 HA GLN 75 HA GLN 75 13.988 3.297 4.380 592 HB2 GLN 75 1HB GLN 75 13.952 5.058 1.923 593 HB3 GLN 75 2HB GLN 75 13.412 5.542 3.525 594 HG2 GLN 75 1HG GLN 75 15.647 5.292 4.398 595 HG3 GLN 75 2HG GLN 75 16.214 4.682 2.844 596 HE21 GLN 75 1HE2 GLN 75 17.228 6.109 1.648 597 HE22 GLN 75 2HE2 GLN 75 16.986 7.820 1.667 598 H ASP 76 H ASP 76 12.822 2.699 1.121 599 HA ASP 76 HA ASP 76 10.098 3.247 1.569 600 HB2 ASP 76 1HB ASP 76 11.448 1.395 -0.402 601 HB3 ASP 76 2HB ASP 76 9.727 1.768 -0.430 602 H SER 77 H SER 77 12.095 0.602 2.496 603 HA SER 77 HA SER 77 10.161 -1.428 2.726 604 HB2 SER 77 1HB SER 77 11.778 -2.648 3.891 605 HB3 SER 77 2HB SER 77 12.756 -1.550 2.917 606 HG SER 77 HG SER 77 13.465 -0.661 4.681 607 H GLY 78 H GLY 78 8.561 -1.758 4.133 608 HA2 GLY 78 1HA GLY 78 8.462 -1.362 6.818 609 HA3 GLY 78 2HA GLY 78 8.040 0.216 6.169 610 H GLU 79 H GLU 79 6.089 -0.532 7.557 611 HA GLU 79 HA GLU 79 4.295 -2.352 6.197 612 HB2 GLU 79 1HB GLU 79 4.369 -2.321 8.646 613 HB3 GLU 79 2HB GLU 79 3.880 -0.632 8.649 614 HG2 GLU 79 1HG GLU 79 1.728 -1.184 7.767 615 HG3 GLU 79 2HG GLU 79 2.209 -2.861 7.518 616 H PHE 80 H PHE 80 2.765 -1.807 4.784 617 HA PHE 80 HA PHE 80 2.211 1.056 4.387 618 HB2 PHE 80 1HB PHE 80 2.235 -1.280 2.490 619 HB3 PHE 80 2HB PHE 80 1.383 0.209 2.092 620 HD1 PHE 80 1HD PHE 80 4.724 -0.934 3.290 621 HD2 PHE 80 2HD PHE 80 2.514 1.834 0.930 622 HE1 PHE 80 1HE PHE 80 6.829 0.045 2.474 623 HE2 PHE 80 2HE PHE 80 4.615 2.817 0.110 624 HZ PHE 80 HZ PHE 80 6.776 1.922 0.881 625 H GLU 81 H GLU 81 0.234 1.797 4.795 626 HA GLU 81 HA GLU 81 -1.971 -0.149 4.995 627 HB2 GLU 81 1HB GLU 81 -1.315 0.665 7.210 628 HB3 GLU 81 2HB GLU 81 -1.522 2.326 6.672 629 HG2 GLU 81 1HG GLU 81 -3.934 1.748 6.214 630 HG3 GLU 81 2HG GLU 81 -3.640 0.238 7.075 631 H CYS 82 H CYS 82 -3.732 0.256 3.812 632 HA CYS 82 HA CYS 82 -3.874 2.840 2.414 633 HB2 CYS 82 1HB CYS 82 -3.676 1.018 0.864 634 HB3 CYS 82 2HB CYS 82 -4.947 0.114 1.678 635 HG CYS 82 HG CYS 82 -5.440 3.042 -0.025 636 H ARG 83 H ARG 83 -4.919 3.883 4.182 637 HA ARG 83 HA ARG 83 -7.504 2.904 5.048 638 HB2 ARG 83 1HB ARG 83 -6.005 3.968 6.668 639 HB3 ARG 83 2HB ARG 83 -6.026 5.453 5.726 640 HG2 ARG 83 1HG ARG 83 -8.620 5.272 6.099 641 HG3 ARG 83 2HG ARG 83 -8.125 4.284 7.475 642 HD2 ARG 83 1HD ARG 83 -6.500 6.268 7.951 643 HD3 ARG 83 2HD ARG 83 -7.614 7.178 6.931 644 HE ARG 83 HE ARG 83 -9.108 5.806 8.855 645 HH11 ARG 83 2HH1 ARG 83 -6.784 8.391 8.655 646 HH12 ARG 83 1HH1 ARG 83 -7.385 9.215 10.055 647 HH21 ARG 83 2HH2 ARG 83 -9.909 6.882 10.700 648 HH22 ARG 83 1HH2 ARG 83 -9.162 8.355 11.218 649 H THR 84 H THR 84 -9.481 3.913 4.691 650 HA THR 84 HA THR 84 -9.523 6.004 2.620 651 HB THR 84 HB THR 84 -10.239 4.332 1.252 652 HG1 THR 84 1HG THR 84 -12.690 4.127 1.642 653 HG21 THR 84 1HG2 THR 84 -11.835 2.487 2.402 654 HG22 THR 84 2HG2 THR 84 -10.847 2.946 3.788 655 HG23 THR 84 3HG2 THR 84 -10.080 2.340 2.320 656 H GLU 85 H GLU 85 -12.109 4.259 4.314 657 HA GLU 85 HA GLU 85 -12.994 6.841 5.427 658 HB2 GLU 85 1HB GLU 85 -14.464 4.617 4.135 659 HB3 GLU 85 2HB GLU 85 -15.240 5.353 5.530 660 HG2 GLU 85 1HG GLU 85 -14.278 6.858 3.109 661 HG3 GLU 85 2HG GLU 85 -15.940 6.341 3.385 662 H GLY 86 H GLY 86 -13.645 3.390 6.071 663 HA2 GLY 86 1HA GLY 86 -12.973 3.909 8.900 664 HA3 GLY 86 2HA GLY 86 -14.401 2.991 8.448 665 H VAL 87 H VAL 87 -12.240 2.146 6.190 666 HA VAL 87 HA VAL 87 -11.013 0.028 7.824 667 HB VAL 87 HB VAL 87 -11.453 -1.633 6.148 668 HG11 VAL 87 1HG1 VAL 87 -13.621 -0.136 7.404 669 HG12 VAL 87 2HG1 VAL 87 -14.137 -1.095 6.016 670 HG13 VAL 87 3HG1 VAL 87 -13.313 -1.871 7.368 671 HG21 VAL 87 1HG2 VAL 87 -12.815 0.543 4.561 672 HG22 VAL 87 2HG2 VAL 87 -11.256 -0.188 4.177 673 HG23 VAL 87 3HG2 VAL 87 -12.724 -1.163 4.122 674 H SER 88 H SER 88 -9.192 -1.069 6.676 675 HA SER 88 HA SER 88 -7.924 0.336 4.510 676 HB2 SER 88 1HB SER 88 -6.245 0.254 6.978 677 HB3 SER 88 2HB SER 88 -6.166 1.355 5.603 678 HG SER 88 HG SER 88 -8.069 1.350 7.705 679 H ALA 89 H ALA 89 -5.765 -0.649 3.991 680 HA ALA 89 HA ALA 89 -5.857 -3.529 4.581 681 HB1 ALA 89 1HB ALA 89 -4.705 -2.047 2.224 682 HB2 ALA 89 2HB ALA 89 -4.536 -3.783 2.488 683 HB3 ALA 89 3HB ALA 89 -6.135 -3.079 2.243 684 H PHE 90 H PHE 90 -3.500 -4.492 4.114 685 HA PHE 90 HA PHE 90 -1.413 -2.845 5.286 686 HB2 PHE 90 1HB PHE 90 -2.609 -5.243 6.643 687 HB3 PHE 90 2HB PHE 90 -0.921 -4.819 6.907 688 HD1 PHE 90 1HD PHE 90 -4.361 -3.435 7.100 689 HD2 PHE 90 2HD PHE 90 -0.346 -3.229 8.498 690 HE1 PHE 90 1HE PHE 90 -5.045 -1.808 8.814 691 HE2 PHE 90 2HE PHE 90 -1.024 -1.603 10.215 692 HZ PHE 90 HZ PHE 90 -3.376 -0.891 10.376 693 H PHE 91 H PHE 91 0.555 -3.342 4.507 694 HA PHE 91 HA PHE 91 1.004 -5.967 3.301 695 HB2 PHE 91 1HB PHE 91 1.613 -3.399 1.826 696 HB3 PHE 91 2HB PHE 91 1.844 -5.040 1.233 697 HD1 PHE 91 2HD PHE 91 -0.680 -2.513 2.138 698 HD2 PHE 91 1HD PHE 91 0.066 -6.260 0.262 699 HE1 PHE 91 2HE PHE 91 -2.945 -2.479 1.178 700 HE2 PHE 91 1HE PHE 91 -2.197 -6.232 -0.702 701 HZ PHE 91 HZ PHE 91 -3.707 -4.341 -0.244 702 H GLY 92 H GLY 92 2.865 -6.758 4.017 703 HA2 GLY 92 1HA GLY 92 4.810 -4.936 5.221 704 HA3 GLY 92 2HA GLY 92 4.769 -6.683 5.410 705 H VAL 93 H VAL 93 6.358 -4.147 3.962 706 HA VAL 93 HA VAL 93 7.483 -5.891 1.869 707 HB VAL 93 HB VAL 93 7.500 -2.872 1.974 708 HG11 VAL 93 1HG1 VAL 93 8.816 -2.843 0.142 709 HG12 VAL 93 2HG1 VAL 93 9.322 -4.427 0.735 710 HG13 VAL 93 3HG1 VAL 93 8.097 -4.307 -0.529 711 HG21 VAL 93 1HG2 VAL 93 5.721 -4.850 0.620 712 HG22 VAL 93 2HG2 VAL 93 5.306 -3.347 1.445 713 HG23 VAL 93 3HG2 VAL 93 6.047 -3.300 -0.155 714 H THR 94 H THR 94 9.603 -6.361 1.902 715 HA THR 94 HA THR 94 11.305 -4.928 3.834 716 HB THR 94 HB THR 94 11.372 -7.896 3.252 717 HG1 THR 94 1HG THR 94 10.117 -8.073 4.943 718 HG21 THR 94 1HG2 THR 94 13.192 -6.052 4.707 719 HG22 THR 94 2HG2 THR 94 13.560 -7.508 3.783 720 HG23 THR 94 3HG2 THR 94 12.900 -7.641 5.413 721 H VAL 95 H VAL 95 12.685 -3.769 2.651 722 HA VAL 95 HA VAL 95 13.749 -4.896 0.162 723 HB VAL 95 HB VAL 95 14.081 -2.081 1.203 724 HG11 VAL 95 1HG1 VAL 95 15.735 -2.869 -0.467 725 HG12 VAL 95 2HG1 VAL 95 14.406 -3.187 -1.583 726 HG13 VAL 95 3HG1 VAL 95 14.735 -1.539 -1.049 727 HG21 VAL 95 1HG2 VAL 95 12.025 -3.193 -0.704 728 HG22 VAL 95 2HG2 VAL 95 11.722 -2.516 0.896 729 HG23 VAL 95 3HG2 VAL 95 12.304 -1.477 -0.405 730 H GLN 96 H GLN 96 15.395 -6.237 0.731 731 HA GLN 96 HA GLN 96 17.402 -5.321 2.638 732 HB2 GLN 96 1HB GLN 96 17.090 -7.964 1.205 733 HB3 GLN 96 2HB GLN 96 18.330 -7.606 2.400 734 HG2 GLN 96 1HG GLN 96 16.688 -7.353 4.122 735 HG3 GLN 96 2HG GLN 96 15.376 -7.489 2.952 736 HE21 GLN 96 1HE2 GLN 96 14.454 -9.244 3.974 737 HE22 GLN 96 2HE2 GLN 96 15.170 -10.816 3.954 738 H ASP 97 H ASP 97 19.235 -4.390 2.030 739 HA ASP 97 HA ASP 97 19.851 -3.842 -0.661 740 HB2 ASP 97 1HB ASP 97 21.988 -2.964 0.214 741 HB3 ASP 97 2HB ASP 97 20.607 -2.392 1.146 742 HA PRO 98 HA PRO 98 21.856 -7.563 -1.919 743 HB2 PRO 98 1HB PRO 98 23.156 -6.582 -4.092 744 HB3 PRO 98 2HB PRO 98 21.414 -6.884 -4.069 745 HG2 PRO 98 1HG PRO 98 22.894 -4.309 -3.701 746 HG3 PRO 98 2HG PRO 98 21.427 -4.631 -4.643 747 HD2 PRO 98 1HD PRO 98 21.360 -3.503 -2.182 748 HD3 PRO 98 2HD PRO 98 20.066 -4.560 -2.784 749 H SER 99 H SER 99 23.879 -8.548 -1.884 750 HA SER 99 HA SER 99 25.809 -7.434 -0.171 751 HB2 SER 99 1HB SER 99 27.199 -9.384 -0.795 752 HB3 SER 99 2HB SER 99 25.540 -9.852 -0.419 753 HG SER 99 HG SER 99 25.796 -10.845 -2.288 754 H GLY 100 H GLY 100 27.297 -5.941 -0.554 755 HA2 GLY 100 1HA GLY 100 29.238 -5.199 -1.757 756 HA3 GLY 100 2HA GLY 100 28.504 -5.804 -3.235 757 HA PRO 101 HA PRO 101 27.621 -1.169 -2.364 758 HB2 PRO 101 1HB PRO 101 29.623 -0.027 -3.799 759 HB3 PRO 101 2HB PRO 101 29.767 -0.400 -2.077 760 HG2 PRO 101 1HG PRO 101 30.774 -1.939 -4.440 761 HG3 PRO 101 2HG PRO 101 31.587 -1.589 -2.903 762 HD2 PRO 101 1HD PRO 101 30.416 -3.974 -3.420 763 HD3 PRO 101 2HD PRO 101 30.484 -3.277 -1.789 764 H SER 102 H SER 102 27.762 -3.397 -4.785 765 HA SER 102 HA SER 102 27.655 -2.298 -7.221 766 HB2 SER 102 1HB SER 102 26.962 -4.684 -6.421 767 HB3 SER 102 2HB SER 102 25.328 -4.021 -6.423 768 HG SER 102 HG SER 102 27.009 -3.727 -8.666 769 H SER 103 H SER 103 26.717 -0.601 -8.126 770 HA SER 103 HA SER 103 23.961 0.060 -7.600 771 HB2 SER 103 1HB SER 103 24.399 2.363 -6.858 772 HB3 SER 103 2HB SER 103 25.077 1.195 -5.725 773 HG SER 103 HG SER 103 26.790 2.415 -6.010 774 H GLY 104 H GLY 104 23.573 2.369 -8.753 775 HA2 GLY 104 1HA GLY 104 24.797 3.554 -10.729 776 HA3 GLY 104 2HA GLY 104 24.617 1.969 -11.467 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -35.874 4.589 7.548 2 HA2 GLY 1 1HA GLY 1 -35.211 6.803 8.278 3 HA3 GLY 1 2HA GLY 1 -36.398 6.674 9.568 4 H SER 2 H SER 2 -35.951 4.499 10.901 5 HA SER 2 HA SER 2 -33.320 4.909 12.038 6 HB2 SER 2 1HB SER 2 -35.459 4.604 13.391 7 HB3 SER 2 2HB SER 2 -35.384 2.899 12.945 8 HG SER 2 HG SER 2 -33.040 3.291 13.798 9 H SER 3 H SER 3 -31.922 4.067 10.482 10 HA SER 3 HA SER 3 -32.086 1.153 10.074 11 HB2 SER 3 1HB SER 3 -30.930 3.335 8.337 12 HB3 SER 3 2HB SER 3 -30.562 1.629 8.083 13 HG SER 3 HG SER 3 -32.950 1.379 8.036 14 H GLY 4 H GLY 4 -29.740 3.815 10.431 15 HA2 GLY 4 1HA GLY 4 -27.793 3.899 11.668 16 HA3 GLY 4 2HA GLY 4 -28.202 2.326 12.336 17 H SER 5 H SER 5 -26.708 3.986 9.621 18 HA SER 5 HA SER 5 -25.829 1.664 8.260 19 HB2 SER 5 1HB SER 5 -24.944 4.546 8.197 20 HB3 SER 5 2HB SER 5 -24.163 3.310 7.212 21 HG SER 5 HG SER 5 -25.985 3.051 6.061 22 H SER 6 H SER 6 -24.170 0.342 8.632 23 HA SER 6 HA SER 6 -22.001 1.239 10.396 24 HB2 SER 6 1HB SER 6 -22.021 -1.006 11.494 25 HB3 SER 6 2HB SER 6 -23.472 -0.058 11.818 26 HG SER 6 HG SER 6 -24.448 -1.795 11.138 27 H GLY 7 H GLY 7 -20.370 1.311 8.955 28 HA2 GLY 7 1HA GLY 7 -18.577 0.255 7.869 29 HA3 GLY 7 2HA GLY 7 -19.536 -1.214 7.762 30 HA PRO 8 HA PRO 8 -20.757 1.801 4.134 31 HB2 PRO 8 1HB PRO 8 -18.764 3.499 3.415 32 HB3 PRO 8 2HB PRO 8 -20.020 3.931 4.582 33 HG2 PRO 8 1HG PRO 8 -17.218 2.999 5.073 34 HG3 PRO 8 2HG PRO 8 -18.122 4.296 5.875 35 HD2 PRO 8 1HD PRO 8 -17.806 1.844 6.978 36 HD3 PRO 8 2HD PRO 8 -19.258 2.830 7.243 37 H VAL 9 H VAL 9 -17.249 1.184 4.376 38 HA VAL 9 HA VAL 9 -17.461 -0.489 1.965 39 HB VAL 9 HB VAL 9 -16.476 1.693 1.350 40 HG11 VAL 9 1HG1 VAL 9 -15.387 2.501 3.231 41 HG12 VAL 9 2HG1 VAL 9 -14.557 0.973 3.531 42 HG13 VAL 9 3HG1 VAL 9 -14.050 2.005 2.194 43 HG21 VAL 9 1HG2 VAL 9 -15.703 0.155 -0.133 44 HG22 VAL 9 2HG2 VAL 9 -14.164 0.586 0.613 45 HG23 VAL 9 3HG2 VAL 9 -15.013 -0.874 1.123 46 H HIS 10 H HIS 10 -16.170 -2.304 1.914 47 HA HIS 10 HA HIS 10 -14.425 -2.791 4.224 48 HB2 HIS 10 1HB HIS 10 -15.321 -5.144 4.304 49 HB3 HIS 10 2HB HIS 10 -16.456 -3.904 4.826 50 HD1 HIS 10 1HD HIS 10 -18.385 -3.298 3.102 51 HD2 HIS 10 2HD HIS 10 -16.155 -6.681 2.187 52 HE1 HIS 10 1HE HIS 10 -19.731 -4.546 1.383 53 HE2 HIS 10 2HE HIS 10 -18.402 -6.632 0.907 54 H ILE 11 H ILE 11 -12.527 -3.707 3.721 55 HA ILE 11 HA ILE 11 -11.765 -4.022 1.014 56 HB ILE 11 HB ILE 11 -10.358 -4.902 3.536 57 HG12 ILE 11 1HG1 ILE 11 -9.542 -2.593 1.814 58 HG13 ILE 11 2HG1 ILE 11 -10.873 -2.389 2.948 59 HG21 ILE 11 1HG2 ILE 11 -9.306 -6.195 1.954 60 HG22 ILE 11 2HG2 ILE 11 -9.579 -5.027 0.662 61 HG23 ILE 11 3HG2 ILE 11 -8.342 -4.720 1.880 62 HD11 ILE 11 1HD1 ILE 11 -9.268 -3.279 4.716 63 HD12 ILE 11 2HD1 ILE 11 -7.999 -2.989 3.525 64 HD13 ILE 11 3HD1 ILE 11 -8.992 -1.650 4.100 65 H LEU 12 H LEU 12 -11.175 -5.890 -0.130 66 HA LEU 12 HA LEU 12 -12.415 -8.366 0.876 67 HB2 LEU 12 1HB LEU 12 -11.882 -7.957 -2.021 68 HB3 LEU 12 2HB LEU 12 -13.150 -8.891 -1.230 69 HG LEU 12 HG LEU 12 -13.108 -5.879 -1.296 70 HD11 LEU 12 1HD1 LEU 12 -13.404 -7.473 -3.506 71 HD12 LEU 12 2HD1 LEU 12 -14.047 -5.842 -3.320 72 HD13 LEU 12 3HD1 LEU 12 -15.069 -7.237 -2.973 73 HD21 LEU 12 1HD2 LEU 12 -15.691 -7.058 -1.104 74 HD22 LEU 12 2HD2 LEU 12 -14.854 -6.032 0.061 75 HD23 LEU 12 3HD2 LEU 12 -14.650 -7.783 0.121 76 H SER 13 H SER 13 -9.629 -6.964 -0.737 77 HA SER 13 HA SER 13 -8.009 -9.216 0.100 78 HB2 SER 13 1HB SER 13 -8.651 -8.638 -2.762 79 HB3 SER 13 2HB SER 13 -7.030 -9.201 -2.358 80 HG SER 13 HG SER 13 -9.501 -10.504 -1.902 81 HA PRO 14 HA PRO 14 -6.030 -9.828 0.280 82 HB2 PRO 14 1HB PRO 14 -4.481 -9.433 2.474 83 HB3 PRO 14 2HB PRO 14 -3.830 -9.459 0.831 84 HG2 PRO 14 1HG PRO 14 -4.520 -7.113 2.559 85 HG3 PRO 14 2HG PRO 14 -3.102 -7.361 1.523 86 HD2 PRO 14 1HD PRO 14 -5.212 -5.841 0.767 87 HD3 PRO 14 2HD PRO 14 -4.243 -6.774 -0.392 88 H GLN 15 H GLN 15 -6.218 -10.891 2.586 89 HA GLN 15 HA GLN 15 -8.675 -9.823 3.757 90 HB2 GLN 15 1HB GLN 15 -7.362 -12.533 3.855 91 HB3 GLN 15 2HB GLN 15 -8.718 -12.109 4.892 92 HG2 GLN 15 1HG GLN 15 -10.131 -11.744 2.983 93 HG3 GLN 15 2HG GLN 15 -8.774 -11.997 1.886 94 HE21 GLN 15 1HE2 GLN 15 -10.275 -13.594 0.973 95 HE22 GLN 15 2HE2 GLN 15 -10.293 -15.185 1.646 96 H ASP 16 H ASP 16 -5.392 -10.750 4.614 97 HA ASP 16 HA ASP 16 -5.641 -9.200 7.075 98 HB2 ASP 16 1HB ASP 16 -4.257 -11.139 8.180 99 HB3 ASP 16 2HB ASP 16 -6.013 -11.241 8.097 100 H LYS 17 H LYS 17 -3.369 -9.151 8.183 101 HA LYS 17 HA LYS 17 -1.620 -7.722 6.676 102 HB2 LYS 17 1HB LYS 17 -1.344 -7.857 9.058 103 HB3 LYS 17 2HB LYS 17 -1.014 -9.582 8.977 104 HG2 LYS 17 1HG LYS 17 1.044 -8.429 9.342 105 HG3 LYS 17 2HG LYS 17 1.051 -9.074 7.699 106 HD2 LYS 17 1HD LYS 17 0.663 -6.949 6.755 107 HD3 LYS 17 2HD LYS 17 0.199 -6.256 8.311 108 HE2 LYS 17 1HE LYS 17 2.525 -5.695 7.399 109 HE3 LYS 17 2HE LYS 17 2.404 -6.211 9.081 110 HZ1 LYS 17 1HZ LYS 17 4.159 -7.242 7.430 111 HZ2 LYS 17 2HZ LYS 17 2.870 -8.274 7.066 112 HZ3 LYS 17 3HZ LYS 17 3.443 -8.165 8.654 113 H VAL 18 H VAL 18 -0.102 -8.081 5.166 114 HA VAL 18 HA VAL 18 0.420 -10.881 4.412 115 HB VAL 18 HB VAL 18 0.809 -10.150 2.155 116 HG11 VAL 18 1HG1 VAL 18 -1.700 -8.886 3.254 117 HG12 VAL 18 2HG1 VAL 18 -1.409 -9.291 1.562 118 HG13 VAL 18 3HG1 VAL 18 -1.509 -10.571 2.771 119 HG21 VAL 18 1HG2 VAL 18 -0.024 -7.389 2.384 120 HG22 VAL 18 2HG2 VAL 18 1.442 -7.705 3.312 121 HG23 VAL 18 3HG2 VAL 18 1.392 -8.075 1.588 122 H SER 19 H SER 19 2.571 -11.018 3.093 123 HA SER 19 HA SER 19 4.656 -9.352 4.298 124 HB2 SER 19 1HB SER 19 4.226 -11.626 5.532 125 HB3 SER 19 2HB SER 19 5.094 -12.317 4.161 126 HG SER 19 HG SER 19 6.815 -11.764 5.221 127 H LEU 20 H LEU 20 6.110 -8.718 2.845 128 HA LEU 20 HA LEU 20 6.638 -10.382 0.499 129 HB2 LEU 20 1HB LEU 20 6.039 -7.438 0.292 130 HB3 LEU 20 2HB LEU 20 6.383 -8.549 -1.032 131 HG LEU 20 HG LEU 20 3.988 -8.989 0.707 132 HD11 LEU 20 1HD1 LEU 20 2.804 -7.686 -1.222 133 HD12 LEU 20 2HD1 LEU 20 4.364 -6.876 -1.363 134 HD13 LEU 20 3HD1 LEU 20 3.475 -6.818 0.159 135 HD21 LEU 20 1HD2 LEU 20 3.951 -9.412 -2.206 136 HD22 LEU 20 2HD2 LEU 20 3.344 -10.430 -0.899 137 HD23 LEU 20 3HD2 LEU 20 5.062 -10.441 -1.301 138 H THR 21 H THR 21 8.646 -9.974 -0.517 139 HA THR 21 HA THR 21 10.458 -8.134 0.876 140 HB THR 21 HB THR 21 11.221 -10.984 0.219 141 HG1 THR 21 1HG THR 21 11.316 -10.884 2.716 142 HG21 THR 21 1HG2 THR 21 12.641 -8.794 1.739 143 HG22 THR 21 2HG2 THR 21 13.102 -9.455 0.170 144 HG23 THR 21 3HG2 THR 21 13.196 -10.462 1.614 145 H PHE 22 H PHE 22 11.944 -7.151 -0.410 146 HA PHE 22 HA PHE 22 12.313 -8.120 -3.145 147 HB2 PHE 22 1HB PHE 22 11.554 -5.266 -2.487 148 HB3 PHE 22 2HB PHE 22 11.932 -5.894 -4.088 149 HD1 PHE 22 1HD PHE 22 9.525 -6.154 -1.288 150 HD2 PHE 22 2HD PHE 22 10.281 -6.895 -5.410 151 HE1 PHE 22 1HE PHE 22 7.155 -6.726 -1.616 152 HE2 PHE 22 2HE PHE 22 7.911 -7.468 -5.745 153 HZ PHE 22 HZ PHE 22 6.345 -7.383 -3.847 154 H THR 23 H THR 23 14.042 -6.745 -4.277 155 HA THR 23 HA THR 23 16.221 -6.303 -2.352 156 HB THR 23 HB THR 23 16.414 -6.873 -5.316 157 HG1 THR 23 1HG THR 23 15.761 -8.732 -4.261 158 HG21 THR 23 1HG2 THR 23 18.804 -7.228 -4.844 159 HG22 THR 23 2HG2 THR 23 18.540 -6.718 -3.176 160 HG23 THR 23 3HG2 THR 23 18.304 -5.573 -4.496 161 H THR 24 H THR 24 17.660 -4.536 -2.654 162 HA THR 24 HA THR 24 16.491 -2.073 -3.079 163 HB THR 24 HB THR 24 19.425 -2.707 -3.449 164 HG1 THR 24 1HG THR 24 18.461 -1.670 -1.053 165 HG21 THR 24 1HG2 THR 24 19.409 -0.528 -4.068 166 HG22 THR 24 2HG2 THR 24 19.328 -0.255 -2.328 167 HG23 THR 24 3HG2 THR 24 17.856 -0.211 -3.296 168 H SER 25 H SER 25 16.605 -0.531 -4.749 169 HA SER 25 HA SER 25 16.385 0.171 -6.902 170 HB2 SER 25 1HB SER 25 18.211 -0.229 -8.359 171 HB3 SER 25 2HB SER 25 18.897 -0.296 -6.736 172 HG SER 25 HG SER 25 18.134 -2.520 -8.328 173 H GLU 26 H GLU 26 14.453 -1.553 -6.312 174 HA GLU 26 HA GLU 26 14.201 -3.166 -8.759 175 HB2 GLU 26 1HB GLU 26 13.498 -3.953 -5.937 176 HB3 GLU 26 2HB GLU 26 12.791 -4.753 -7.333 177 HG2 GLU 26 1HG GLU 26 15.753 -4.520 -7.141 178 HG3 GLU 26 2HG GLU 26 14.914 -5.723 -6.163 179 H ARG 27 H ARG 27 11.748 -3.889 -8.917 180 HA ARG 27 HA ARG 27 10.173 -1.423 -8.613 181 HB2 ARG 27 1HB ARG 27 10.666 -2.533 -10.923 182 HB3 ARG 27 2HB ARG 27 9.413 -3.671 -10.446 183 HG2 ARG 27 1HG ARG 27 7.799 -1.898 -10.266 184 HG3 ARG 27 2HG ARG 27 9.044 -0.687 -10.578 185 HD2 ARG 27 1HD ARG 27 9.389 -1.597 -12.810 186 HD3 ARG 27 2HD ARG 27 8.189 -2.851 -12.498 187 HE ARG 27 HE ARG 27 7.690 -0.081 -13.146 188 HH11 ARG 27 2HH1 ARG 27 6.404 -3.022 -11.796 189 HH12 ARG 27 1HH1 ARG 27 4.751 -2.578 -12.068 190 HH21 ARG 27 2HH2 ARG 27 5.518 0.514 -13.510 191 HH22 ARG 27 1HH2 ARG 27 4.249 -0.567 -13.044 192 H VAL 28 H VAL 28 8.972 -1.532 -6.822 193 HA VAL 28 HA VAL 28 7.710 -4.082 -6.100 194 HB VAL 28 HB VAL 28 8.049 -1.559 -4.472 195 HG11 VAL 28 1HG1 VAL 28 6.884 -2.508 -2.752 196 HG12 VAL 28 2HG1 VAL 28 6.014 -3.208 -4.118 197 HG13 VAL 28 3HG1 VAL 28 7.238 -4.155 -3.272 198 HG21 VAL 28 1HG2 VAL 28 9.478 -4.207 -4.467 199 HG22 VAL 28 2HG2 VAL 28 10.164 -2.597 -4.686 200 HG23 VAL 28 3HG2 VAL 28 9.542 -3.083 -3.109 201 H VAL 29 H VAL 29 5.573 -4.377 -6.249 202 HA VAL 29 HA VAL 29 3.827 -2.035 -6.546 203 HB VAL 29 HB VAL 29 3.679 -4.479 -8.316 204 HG11 VAL 29 1HG1 VAL 29 1.587 -3.010 -7.568 205 HG12 VAL 29 2HG1 VAL 29 2.166 -1.998 -8.893 206 HG13 VAL 29 3HG1 VAL 29 1.739 -3.684 -9.190 207 HG21 VAL 29 1HG2 VAL 29 4.094 -2.539 -10.058 208 HG22 VAL 29 2HG2 VAL 29 4.897 -1.788 -8.678 209 HG23 VAL 29 3HG2 VAL 29 5.437 -3.362 -9.263 210 H LEU 30 H LEU 30 2.325 -2.125 -5.022 211 HA LEU 30 HA LEU 30 1.667 -4.647 -3.749 212 HB2 LEU 30 1HB LEU 30 0.683 -1.854 -3.186 213 HB3 LEU 30 2HB LEU 30 0.374 -3.274 -2.190 214 HG LEU 30 HG LEU 30 3.113 -2.116 -2.695 215 HD11 LEU 30 1HD1 LEU 30 2.554 -1.706 -0.058 216 HD12 LEU 30 2HD1 LEU 30 1.001 -1.363 -0.818 217 HD13 LEU 30 3HD1 LEU 30 2.442 -0.482 -1.323 218 HD21 LEU 30 1HD2 LEU 30 2.552 -4.625 -1.955 219 HD22 LEU 30 2HD2 LEU 30 2.491 -3.843 -0.376 220 HD23 LEU 30 3HD2 LEU 30 3.954 -3.737 -1.357 221 H THR 31 H THR 31 -0.880 -4.532 -3.032 222 HA THR 31 HA THR 31 -2.618 -3.851 -5.227 223 HB THR 31 HB THR 31 -2.352 -6.775 -4.514 224 HG1 THR 31 1HG THR 31 -1.013 -6.977 -6.167 225 HG21 THR 31 1HG2 THR 31 -4.376 -6.884 -5.456 226 HG22 THR 31 2HG2 THR 31 -3.591 -6.481 -6.983 227 HG23 THR 31 3HG2 THR 31 -4.293 -5.205 -5.989 228 H CYS 32 H CYS 32 -4.648 -3.490 -4.528 229 HA CYS 32 HA CYS 32 -5.625 -4.757 -2.104 230 HB2 CYS 32 1HB CYS 32 -4.368 -2.650 -1.438 231 HB3 CYS 32 2HB CYS 32 -5.614 -1.745 -2.289 232 HG CYS 32 HG CYS 32 -6.149 -3.785 0.408 233 H GLU 33 H GLU 33 -7.845 -4.853 -1.983 234 HA GLU 33 HA GLU 33 -9.306 -3.688 -4.263 235 HB2 GLU 33 1HB GLU 33 -9.015 -6.203 -4.284 236 HB3 GLU 33 2HB GLU 33 -10.025 -6.253 -2.846 237 HG2 GLU 33 1HG GLU 33 -11.926 -5.708 -3.986 238 HG3 GLU 33 2HG GLU 33 -11.053 -4.833 -5.243 239 H LEU 34 H LEU 34 -11.584 -3.233 -3.879 240 HA LEU 34 HA LEU 34 -12.309 -2.873 -1.063 241 HB2 LEU 34 1HB LEU 34 -12.197 -0.747 -3.176 242 HB3 LEU 34 2HB LEU 34 -13.261 -0.601 -1.778 243 HG LEU 34 HG LEU 34 -10.249 -0.777 -1.727 244 HD11 LEU 34 1HD1 LEU 34 -12.101 1.417 -1.957 245 HD12 LEU 34 2HD1 LEU 34 -10.340 1.419 -2.036 246 HD13 LEU 34 3HD1 LEU 34 -11.152 1.544 -0.476 247 HD21 LEU 34 1HD2 LEU 34 -10.632 -0.209 0.720 248 HD22 LEU 34 2HD2 LEU 34 -10.985 -1.865 0.224 249 HD23 LEU 34 3HD2 LEU 34 -12.302 -0.716 0.467 250 H SER 35 H SER 35 -14.668 -2.090 -0.920 251 HA SER 35 HA SER 35 -16.240 -3.642 -2.866 252 HB2 SER 35 1HB SER 35 -16.282 -4.401 -0.469 253 HB3 SER 35 2HB SER 35 -17.055 -2.871 -0.056 254 HG SER 35 HG SER 35 -18.789 -4.027 -0.456 255 H ARG 36 H ARG 36 -15.348 -0.784 -3.009 256 HA ARG 36 HA ARG 36 -17.947 0.315 -3.715 257 HB2 ARG 36 1HB ARG 36 -16.158 1.443 -1.595 258 HB3 ARG 36 2HB ARG 36 -17.118 2.532 -2.586 259 HG2 ARG 36 1HG ARG 36 -19.049 0.853 -1.890 260 HG3 ARG 36 2HG ARG 36 -17.972 0.597 -0.515 261 HD2 ARG 36 1HD ARG 36 -18.198 2.755 0.238 262 HD3 ARG 36 2HD ARG 36 -18.580 3.386 -1.364 263 HE ARG 36 HE ARG 36 -20.568 1.634 -0.188 264 HH11 ARG 36 2HH1 ARG 36 -19.488 4.899 -0.728 265 HH12 ARG 36 1HH1 ARG 36 -21.048 5.600 -0.453 266 HH21 ARG 36 2HH2 ARG 36 -22.628 2.545 0.177 267 HH22 ARG 36 1HH2 ARG 36 -22.833 4.260 0.063 268 H VAL 37 H VAL 37 -17.657 0.793 -5.790 269 HA VAL 37 HA VAL 37 -15.123 1.375 -6.940 270 HB VAL 37 HB VAL 37 -17.920 1.644 -8.039 271 HG11 VAL 37 1HG1 VAL 37 -16.477 3.242 -9.166 272 HG12 VAL 37 2HG1 VAL 37 -15.287 1.976 -9.475 273 HG13 VAL 37 3HG1 VAL 37 -16.873 1.904 -10.244 274 HG21 VAL 37 1HG2 VAL 37 -17.148 -0.642 -7.570 275 HG22 VAL 37 2HG2 VAL 37 -17.358 -0.359 -9.298 276 HG23 VAL 37 3HG2 VAL 37 -15.740 -0.367 -8.596 277 H ASP 38 H ASP 38 -14.317 3.305 -7.758 278 HA ASP 38 HA ASP 38 -13.875 5.536 -7.792 279 HB2 ASP 38 1HB ASP 38 -16.029 5.612 -9.017 280 HB3 ASP 38 2HB ASP 38 -16.871 5.830 -7.485 281 H PHE 39 H PHE 39 -13.620 4.226 -5.328 282 HA PHE 39 HA PHE 39 -14.556 6.231 -3.392 283 HB2 PHE 39 1HB PHE 39 -14.954 3.624 -3.183 284 HB3 PHE 39 2HB PHE 39 -13.316 3.650 -2.537 285 HD1 PHE 39 2HD PHE 39 -16.194 5.989 -2.153 286 HD2 PHE 39 1HD PHE 39 -13.419 3.376 -0.259 287 HE1 PHE 39 2HE PHE 39 -17.078 6.650 0.046 288 HE2 PHE 39 1HE PHE 39 -14.299 4.032 1.943 289 HZ PHE 39 HZ PHE 39 -16.130 5.672 2.098 290 HA PRO 40 HA PRO 40 -10.369 7.719 -3.302 291 HB2 PRO 40 1HB PRO 40 -10.737 9.510 -1.296 292 HB3 PRO 40 2HB PRO 40 -11.285 9.797 -2.952 293 HG2 PRO 40 1HG PRO 40 -12.845 8.853 -0.577 294 HG3 PRO 40 2HG PRO 40 -13.296 10.044 -1.811 295 HD2 PRO 40 1HD PRO 40 -14.196 7.490 -1.853 296 HD3 PRO 40 2HD PRO 40 -13.901 8.423 -3.334 297 H ALA 41 H ALA 41 -8.645 7.993 -1.653 298 HA ALA 41 HA ALA 41 -8.881 6.887 0.942 299 HB1 ALA 41 1HB ALA 41 -7.516 4.846 0.579 300 HB2 ALA 41 2HB ALA 41 -9.108 4.774 -0.178 301 HB3 ALA 41 3HB ALA 41 -7.678 5.093 -1.160 302 H THR 42 H THR 42 -6.479 6.194 1.679 303 HA THR 42 HA THR 42 -4.487 7.941 0.459 304 HB THR 42 HB THR 42 -5.176 8.167 3.395 305 HG1 THR 42 1HG THR 42 -6.035 10.173 2.841 306 HG21 THR 42 1HG2 THR 42 -3.181 9.128 3.622 307 HG22 THR 42 2HG2 THR 42 -3.621 10.330 2.408 308 HG23 THR 42 3HG2 THR 42 -2.836 8.829 1.919 309 H TRP 43 H TRP 43 -2.408 7.252 0.740 310 HA TRP 43 HA TRP 43 -2.094 4.649 2.043 311 HB2 TRP 43 1HB TRP 43 -0.458 6.122 -0.018 312 HB3 TRP 43 2HB TRP 43 0.134 4.676 0.795 313 HD1 TRP 43 HD TRP 43 -2.536 5.813 -1.715 314 HE1 TRP 43 1HE TRP 43 -3.374 3.750 -3.006 315 HE3 TRP 43 3HE TRP 43 -0.122 2.165 0.931 316 HZ2 TRP 43 2HZ TRP 43 -3.055 0.947 -2.913 317 HZ3 TRP 43 3HZ TRP 43 -0.442 -0.182 0.265 318 HH2 TRP 43 HH TRP 43 -1.879 -0.777 -1.617 319 H TYR 44 H TYR 44 -1.116 4.477 3.944 320 HA TYR 44 HA TYR 44 0.596 6.700 4.842 321 HB2 TYR 44 1HB TYR 44 -1.271 4.901 6.378 322 HB3 TYR 44 2HB TYR 44 -0.015 5.841 7.176 323 HD1 TYR 44 1HD TYR 44 -3.150 6.038 5.253 324 HD2 TYR 44 2HD TYR 44 -0.234 8.212 7.462 325 HE1 TYR 44 1HE TYR 44 -4.655 7.982 5.315 326 HE2 TYR 44 2HE TYR 44 -1.732 10.161 7.531 327 HH TYR 44 HH TYR 44 -4.943 10.037 6.902 328 H LYS 45 H LYS 45 2.547 6.247 5.816 329 HA LYS 45 HA LYS 45 3.372 3.424 5.901 330 HB2 LYS 45 1HB LYS 45 4.211 4.630 3.844 331 HB3 LYS 45 2HB LYS 45 5.142 5.664 4.919 332 HG2 LYS 45 1HG LYS 45 6.133 3.472 5.826 333 HG3 LYS 45 2HG LYS 45 5.482 2.745 4.355 334 HD2 LYS 45 1HD LYS 45 6.850 4.047 2.971 335 HD3 LYS 45 2HD LYS 45 7.202 5.204 4.257 336 HE2 LYS 45 1HE LYS 45 8.217 3.041 5.406 337 HE3 LYS 45 2HE LYS 45 8.372 2.523 3.728 338 HZ1 LYS 45 1HZ LYS 45 9.382 4.937 3.515 339 HZ2 LYS 45 2HZ LYS 45 10.330 3.609 3.961 340 HZ3 LYS 45 3HZ LYS 45 9.752 4.670 5.145 341 H ASP 46 H ASP 46 4.325 2.840 7.745 342 HA ASP 46 HA ASP 46 5.024 2.986 9.916 343 HB2 ASP 46 1HB ASP 46 6.747 5.102 8.614 344 HB3 ASP 46 2HB ASP 46 7.020 4.469 10.235 345 H GLY 47 H GLY 47 2.646 4.392 9.478 346 HA2 GLY 47 1HA GLY 47 1.273 5.835 10.626 347 HA3 GLY 47 2HA GLY 47 2.580 6.044 11.783 348 H GLN 48 H GLN 48 2.774 6.753 8.340 349 HA GLN 48 HA GLN 48 2.522 9.607 8.819 350 HB2 GLN 48 1HB GLN 48 5.062 8.425 7.683 351 HB3 GLN 48 2HB GLN 48 4.702 10.139 7.844 352 HG2 GLN 48 1HG GLN 48 4.443 9.609 10.357 353 HG3 GLN 48 2HG GLN 48 5.329 8.135 9.969 354 HE21 GLN 48 1HE2 GLN 48 7.479 8.222 9.761 355 HE22 GLN 48 2HE2 GLN 48 8.422 9.668 9.832 356 H LYS 49 H LYS 49 1.223 10.303 7.269 357 HA LYS 49 HA LYS 49 0.452 8.920 5.009 358 HB2 LYS 49 1HB LYS 49 -0.668 10.942 6.014 359 HB3 LYS 49 2HB LYS 49 0.550 11.932 5.221 360 HG2 LYS 49 1HG LYS 49 -0.194 11.105 3.044 361 HG3 LYS 49 2HG LYS 49 -1.421 10.119 3.843 362 HD2 LYS 49 1HD LYS 49 -2.566 12.045 3.149 363 HD3 LYS 49 2HD LYS 49 -2.258 12.306 4.867 364 HE2 LYS 49 1HE LYS 49 -0.653 13.912 4.471 365 HE3 LYS 49 2HE LYS 49 -0.288 13.300 2.858 366 HZ1 LYS 49 1HZ LYS 49 -2.710 14.812 3.671 367 HZ2 LYS 49 2HZ LYS 49 -2.481 14.126 2.142 368 HZ3 LYS 49 3HZ LYS 49 -1.459 15.364 2.674 369 H VAL 50 H VAL 50 1.267 8.592 3.030 370 HA VAL 50 HA VAL 50 3.951 9.459 2.463 371 HB VAL 50 HB VAL 50 3.808 8.106 0.468 372 HG11 VAL 50 1HG1 VAL 50 2.652 5.995 1.720 373 HG12 VAL 50 2HG1 VAL 50 4.295 6.560 2.027 374 HG13 VAL 50 3HG1 VAL 50 2.975 7.063 3.085 375 HG21 VAL 50 1HG2 VAL 50 1.892 7.978 -0.650 376 HG22 VAL 50 2HG2 VAL 50 1.274 6.905 0.605 377 HG23 VAL 50 3HG2 VAL 50 0.999 8.643 0.718 378 H GLU 51 H GLU 51 4.455 10.288 0.202 379 HA GLU 51 HA GLU 51 2.440 12.235 -0.689 380 HB2 GLU 51 1HB GLU 51 5.385 12.797 -0.299 381 HB3 GLU 51 2HB GLU 51 4.217 13.914 -0.990 382 HG2 GLU 51 1HG GLU 51 3.036 14.054 1.097 383 HG3 GLU 51 2HG GLU 51 4.068 12.813 1.805 384 H GLU 52 H GLU 52 1.897 11.322 -2.595 385 HA GLU 52 HA GLU 52 3.278 9.767 -4.310 386 HB2 GLU 52 1HB GLU 52 1.191 11.845 -4.730 387 HB3 GLU 52 2HB GLU 52 2.001 11.211 -6.155 388 HG2 GLU 52 1HG GLU 52 1.354 8.946 -5.524 389 HG3 GLU 52 2HG GLU 52 0.547 9.576 -4.088 390 H SER 53 H SER 53 4.927 9.917 -5.719 391 HA SER 53 HA SER 53 5.832 12.416 -6.792 392 HB2 SER 53 1HB SER 53 6.779 12.107 -4.338 393 HB3 SER 53 2HB SER 53 7.932 11.055 -5.158 394 HG SER 53 HG SER 53 8.923 12.797 -5.747 395 H GLU 54 H GLU 54 8.241 11.902 -7.734 396 HA GLU 54 HA GLU 54 7.848 10.124 -9.836 397 HB2 GLU 54 1HB GLU 54 9.495 11.719 -10.223 398 HB3 GLU 54 2HB GLU 54 10.271 11.442 -8.670 399 HG2 GLU 54 1HG GLU 54 11.472 9.662 -9.423 400 HG3 GLU 54 2HG GLU 54 10.269 9.221 -10.634 401 H LEU 55 H LEU 55 9.366 9.631 -6.698 402 HA LEU 55 HA LEU 55 10.085 6.892 -7.370 403 HB2 LEU 55 1HB LEU 55 10.398 8.391 -4.774 404 HB3 LEU 55 2HB LEU 55 11.100 6.822 -5.162 405 HG LEU 55 HG LEU 55 11.788 9.293 -6.727 406 HD11 LEU 55 1HD1 LEU 55 13.920 8.838 -5.063 407 HD12 LEU 55 2HD1 LEU 55 12.535 8.615 -3.994 408 HD13 LEU 55 3HD1 LEU 55 12.728 10.125 -4.884 409 HD21 LEU 55 1HD2 LEU 55 13.266 7.992 -7.786 410 HD22 LEU 55 2HD2 LEU 55 12.333 6.640 -7.144 411 HD23 LEU 55 3HD2 LEU 55 13.775 7.199 -6.295 412 H LEU 56 H LEU 56 7.376 8.484 -6.287 413 HA LEU 56 HA LEU 56 6.322 6.011 -5.091 414 HB2 LEU 56 1HB LEU 56 6.822 8.049 -3.528 415 HB3 LEU 56 2HB LEU 56 5.323 8.682 -4.206 416 HG LEU 56 HG LEU 56 5.297 5.939 -3.049 417 HD11 LEU 56 1HD1 LEU 56 4.869 8.249 -1.221 418 HD12 LEU 56 2HD1 LEU 56 6.514 7.685 -1.515 419 HD13 LEU 56 3HD1 LEU 56 5.309 6.581 -0.852 420 HD21 LEU 56 1HD2 LEU 56 3.356 7.083 -4.207 421 HD22 LEU 56 2HD2 LEU 56 3.297 8.174 -2.822 422 HD23 LEU 56 3HD2 LEU 56 3.037 6.444 -2.594 423 H VAL 57 H VAL 57 5.099 5.278 -6.739 424 HA VAL 57 HA VAL 57 3.267 7.148 -8.071 425 HB VAL 57 HB VAL 57 3.941 4.321 -8.891 426 HG11 VAL 57 1HG1 VAL 57 2.971 6.294 -10.848 427 HG12 VAL 57 2HG1 VAL 57 2.571 4.586 -10.660 428 HG13 VAL 57 3HG1 VAL 57 1.799 5.792 -9.631 429 HG21 VAL 57 1HG2 VAL 57 5.066 5.970 -10.763 430 HG22 VAL 57 2HG2 VAL 57 5.386 6.836 -9.261 431 HG23 VAL 57 3HG2 VAL 57 5.937 5.172 -9.453 432 H VAL 58 H VAL 58 1.105 6.978 -7.880 433 HA VAL 58 HA VAL 58 0.023 4.646 -6.441 434 HB VAL 58 HB VAL 58 -0.790 7.529 -6.045 435 HG11 VAL 58 1HG1 VAL 58 -2.204 6.474 -4.197 436 HG12 VAL 58 2HG1 VAL 58 -2.772 6.290 -5.858 437 HG13 VAL 58 3HG1 VAL 58 -1.959 4.949 -5.049 438 HG21 VAL 58 1HG2 VAL 58 1.347 6.787 -4.963 439 HG22 VAL 58 2HG2 VAL 58 0.102 7.341 -3.843 440 HG23 VAL 58 3HG2 VAL 58 0.399 5.615 -4.046 441 H LYS 59 H LYS 59 -1.264 3.575 -7.779 442 HA LYS 59 HA LYS 59 -2.761 5.055 -9.824 443 HB2 LYS 59 1HB LYS 59 -2.280 2.078 -9.606 444 HB3 LYS 59 2HB LYS 59 -3.022 2.919 -10.961 445 HG2 LYS 59 1HG LYS 59 -0.257 3.642 -10.102 446 HG3 LYS 59 2HG LYS 59 -0.531 2.200 -11.082 447 HD2 LYS 59 1HD LYS 59 -1.940 3.862 -12.553 448 HD3 LYS 59 2HD LYS 59 -0.922 5.075 -11.774 449 HE2 LYS 59 1HE LYS 59 1.044 3.580 -12.473 450 HE3 LYS 59 2HE LYS 59 -0.111 2.792 -13.547 451 HZ1 LYS 59 1HZ LYS 59 1.140 4.571 -14.645 452 HZ2 LYS 59 2HZ LYS 59 0.504 5.697 -13.556 453 HZ3 LYS 59 3HZ LYS 59 -0.522 4.888 -14.630 454 H MET 60 H MET 60 -4.988 4.567 -10.204 455 HA MET 60 HA MET 60 -6.377 3.300 -7.944 456 HB2 MET 60 1HB MET 60 -6.600 5.637 -7.523 457 HB3 MET 60 2HB MET 60 -6.985 5.971 -9.206 458 HG2 MET 60 1HG MET 60 -9.033 4.450 -8.788 459 HG3 MET 60 2HG MET 60 -8.695 4.750 -7.085 460 HE1 MET 60 1HE MET 60 -10.595 5.443 -9.849 461 HE2 MET 60 2HE MET 60 -11.675 5.949 -8.549 462 HE3 MET 60 3HE MET 60 -11.179 7.107 -9.784 463 H ASP 61 H ASP 61 -8.362 2.316 -8.433 464 HA ASP 61 HA ASP 61 -9.423 2.369 -11.104 465 HB2 ASP 61 1HB ASP 61 -7.710 0.120 -10.172 466 HB3 ASP 61 2HB ASP 61 -9.157 -0.287 -11.091 467 H GLY 62 H GLY 62 -11.435 1.239 -11.295 468 HA2 GLY 62 1HA GLY 62 -13.238 1.526 -9.306 469 HA3 GLY 62 2HA GLY 62 -13.383 0.260 -10.516 470 H ARG 63 H ARG 63 -12.975 0.952 -7.234 471 HA ARG 63 HA ARG 63 -12.651 -0.321 -5.374 472 HB2 ARG 63 1HB ARG 63 -13.808 -2.335 -7.292 473 HB3 ARG 63 2HB ARG 63 -13.435 -2.746 -5.624 474 HG2 ARG 63 1HG ARG 63 -14.962 -0.993 -4.856 475 HG3 ARG 63 2HG ARG 63 -15.347 -0.606 -6.535 476 HD2 ARG 63 1HD ARG 63 -16.175 -2.907 -6.845 477 HD3 ARG 63 2HD ARG 63 -15.846 -3.235 -5.144 478 HE ARG 63 HE ARG 63 -17.534 -0.971 -5.445 479 HH11 ARG 63 2HH1 ARG 63 -17.517 -4.451 -5.560 480 HH12 ARG 63 1HH1 ARG 63 -19.190 -4.603 -5.134 481 HH21 ARG 63 2HH2 ARG 63 -19.736 -1.158 -4.883 482 HH22 ARG 63 1HH2 ARG 63 -20.451 -2.729 -4.750 483 H LYS 64 H LYS 64 -10.335 0.123 -6.833 484 HA LYS 64 HA LYS 64 -8.729 -2.108 -5.946 485 HB2 LYS 64 1HB LYS 64 -8.825 -1.322 -8.863 486 HB3 LYS 64 2HB LYS 64 -7.573 -2.334 -8.155 487 HG2 LYS 64 1HG LYS 64 -9.333 -3.949 -7.485 488 HG3 LYS 64 2HG LYS 64 -10.510 -2.960 -8.353 489 HD2 LYS 64 1HD LYS 64 -9.626 -3.491 -10.422 490 HD3 LYS 64 2HD LYS 64 -8.043 -3.900 -9.755 491 HE2 LYS 64 1HE LYS 64 -9.040 -5.905 -8.715 492 HE3 LYS 64 2HE LYS 64 -10.582 -5.505 -9.468 493 HZ1 LYS 64 1HZ LYS 64 -8.863 -5.474 -11.554 494 HZ2 LYS 64 2HZ LYS 64 -9.860 -6.775 -11.135 495 HZ3 LYS 64 3HZ LYS 64 -8.251 -6.739 -10.612 496 H HIS 65 H HIS 65 -7.045 -1.254 -4.937 497 HA HIS 65 HA HIS 65 -5.822 1.187 -6.022 498 HB2 HIS 65 1HB HIS 65 -6.432 0.684 -3.102 499 HB3 HIS 65 2HB HIS 65 -5.537 2.062 -3.734 500 HD1 HIS 65 1HD HIS 65 -6.883 3.963 -4.788 501 HD2 HIS 65 2HD HIS 65 -9.220 0.754 -3.565 502 HE1 HIS 65 1HE HIS 65 -9.259 4.777 -4.910 503 HE2 HIS 65 2HE HIS 65 -10.649 2.846 -4.084 504 H ARG 66 H ARG 66 -3.749 0.849 -6.436 505 HA ARG 66 HA ARG 66 -2.204 -0.893 -4.647 506 HB2 ARG 66 1HB ARG 66 -0.998 -1.753 -6.691 507 HB3 ARG 66 2HB ARG 66 -2.655 -2.310 -6.503 508 HG2 ARG 66 1HG ARG 66 -3.399 -1.157 -8.317 509 HG3 ARG 66 2HG ARG 66 -2.193 0.119 -8.139 510 HD2 ARG 66 1HD ARG 66 -0.472 -1.628 -8.810 511 HD3 ARG 66 2HD ARG 66 -1.837 -2.637 -9.286 512 HE ARG 66 HE ARG 66 -0.867 -0.259 -10.628 513 HH11 ARG 66 2HH1 ARG 66 -3.448 -2.568 -10.266 514 HH12 ARG 66 1HH1 ARG 66 -4.140 -2.234 -11.818 515 HH21 ARG 66 2HH2 ARG 66 -1.769 0.189 -12.675 516 HH22 ARG 66 1HH2 ARG 66 -3.184 -0.666 -13.188 517 H LEU 67 H LEU 67 0.056 -0.458 -4.585 518 HA LEU 67 HA LEU 67 0.753 2.231 -5.568 519 HB2 LEU 67 1HB LEU 67 0.556 1.640 -3.010 520 HB3 LEU 67 2HB LEU 67 2.169 0.978 -3.265 521 HG LEU 67 HG LEU 67 1.484 3.814 -3.986 522 HD11 LEU 67 1HD1 LEU 67 2.970 3.618 -1.551 523 HD12 LEU 67 2HD1 LEU 67 1.449 2.740 -1.388 524 HD13 LEU 67 3HD1 LEU 67 1.440 4.439 -1.861 525 HD21 LEU 67 1HD2 LEU 67 3.884 2.125 -3.931 526 HD22 LEU 67 2HD2 LEU 67 4.086 3.727 -3.222 527 HD23 LEU 67 3HD2 LEU 67 3.526 3.563 -4.887 528 H ILE 68 H ILE 68 2.658 2.525 -6.629 529 HA ILE 68 HA ILE 68 4.316 0.126 -7.061 530 HB ILE 68 HB ILE 68 3.506 2.266 -9.018 531 HG12 ILE 68 1HG1 ILE 68 3.493 -0.673 -9.556 532 HG13 ILE 68 2HG1 ILE 68 2.244 -0.007 -8.510 533 HG21 ILE 68 1HG2 ILE 68 5.091 1.346 -10.604 534 HG22 ILE 68 2HG2 ILE 68 5.935 1.916 -9.166 535 HG23 ILE 68 3HG2 ILE 68 5.659 0.190 -9.400 536 HD11 ILE 68 1HD1 ILE 68 1.529 -0.187 -10.846 537 HD12 ILE 68 2HD1 ILE 68 1.522 1.480 -10.270 538 HD13 ILE 68 3HD1 ILE 68 2.825 0.913 -11.314 539 H LEU 69 H LEU 69 6.567 0.462 -7.394 540 HA LEU 69 HA LEU 69 7.609 3.111 -6.716 541 HB2 LEU 69 1HB LEU 69 8.200 0.555 -5.250 542 HB3 LEU 69 2HB LEU 69 9.275 1.951 -5.189 543 HG LEU 69 HG LEU 69 6.388 2.068 -4.341 544 HD11 LEU 69 1HD1 LEU 69 7.859 0.403 -3.060 545 HD12 LEU 69 2HD1 LEU 69 6.981 1.620 -2.134 546 HD13 LEU 69 3HD1 LEU 69 8.703 1.828 -2.453 547 HD21 LEU 69 1HD2 LEU 69 7.162 4.235 -4.737 548 HD22 LEU 69 2HD2 LEU 69 8.767 3.880 -4.097 549 HD23 LEU 69 3HD2 LEU 69 7.390 4.011 -3.002 550 HA PRO 70 HA PRO 70 10.153 1.881 -10.171 551 HB2 PRO 70 1HB PRO 70 11.508 4.227 -10.346 552 HB3 PRO 70 2HB PRO 70 9.862 4.021 -10.954 553 HG2 PRO 70 1HG PRO 70 10.792 5.231 -8.379 554 HG3 PRO 70 2HG PRO 70 9.534 5.800 -9.492 555 HD2 PRO 70 1HD PRO 70 8.962 4.455 -7.212 556 HD3 PRO 70 2HD PRO 70 7.966 4.321 -8.676 557 H GLU 71 H GLU 71 11.440 3.480 -7.273 558 HA GLU 71 HA GLU 71 13.812 1.749 -7.475 559 HB2 GLU 71 1HB GLU 71 14.118 4.274 -8.031 560 HB3 GLU 71 2HB GLU 71 13.977 4.502 -6.293 561 HG2 GLU 71 1HG GLU 71 15.905 3.176 -5.880 562 HG3 GLU 71 2HG GLU 71 15.971 2.645 -7.560 563 H ALA 72 H ALA 72 13.052 0.272 -5.984 564 HA ALA 72 HA ALA 72 12.045 1.107 -3.420 565 HB1 ALA 72 1HB ALA 72 12.870 -1.668 -4.246 566 HB2 ALA 72 2HB ALA 72 11.773 -1.210 -2.943 567 HB3 ALA 72 3HB ALA 72 11.300 -0.960 -4.623 568 H LYS 73 H LYS 73 13.702 2.289 -2.456 569 HA LYS 73 HA LYS 73 16.317 1.104 -2.101 570 HB2 LYS 73 1HB LYS 73 15.151 3.651 -0.960 571 HB3 LYS 73 2HB LYS 73 16.840 3.170 -0.873 572 HG2 LYS 73 1HG LYS 73 17.032 3.306 -3.286 573 HG3 LYS 73 2HG LYS 73 15.319 3.713 -3.416 574 HD2 LYS 73 1HD LYS 73 15.684 5.773 -2.195 575 HD3 LYS 73 2HD LYS 73 17.378 5.352 -1.938 576 HE2 LYS 73 1HE LYS 73 16.169 5.641 -4.677 577 HE3 LYS 73 2HE LYS 73 16.885 6.996 -3.806 578 HZ1 LYS 73 1HZ LYS 73 18.497 6.027 -5.281 579 HZ2 LYS 73 2HZ LYS 73 18.267 4.493 -4.607 580 HZ3 LYS 73 3HZ LYS 73 18.966 5.726 -3.683 581 H VAL 74 H VAL 74 17.258 1.246 0.207 582 HA VAL 74 HA VAL 74 16.066 -0.670 1.808 583 HB VAL 74 HB VAL 74 17.952 1.523 2.683 584 HG11 VAL 74 1HG1 VAL 74 16.841 0.490 4.585 585 HG12 VAL 74 2HG1 VAL 74 17.281 -1.112 3.991 586 HG13 VAL 74 3HG1 VAL 74 18.536 0.008 4.521 587 HG21 VAL 74 1HG2 VAL 74 18.739 -1.298 2.075 588 HG22 VAL 74 2HG2 VAL 74 18.582 -0.120 0.772 589 HG23 VAL 74 3HG2 VAL 74 19.728 0.163 2.082 590 H GLN 75 H GLN 75 15.752 2.842 1.923 591 HA GLN 75 HA GLN 75 14.334 3.003 4.351 592 HB2 GLN 75 1HB GLN 75 14.291 4.845 1.955 593 HB3 GLN 75 2HB GLN 75 13.612 5.233 3.530 594 HG2 GLN 75 1HG GLN 75 15.729 5.287 4.548 595 HG3 GLN 75 2HG GLN 75 16.498 4.503 3.169 596 HE21 GLN 75 1HE2 GLN 75 17.823 5.895 2.255 597 HE22 GLN 75 2HE2 GLN 75 17.472 7.547 1.892 598 H ASP 76 H ASP 76 13.255 2.672 0.998 599 HA ASP 76 HA ASP 76 10.565 3.029 1.193 600 HB2 ASP 76 1HB ASP 76 11.943 0.802 -0.323 601 HB3 ASP 76 2HB ASP 76 10.310 1.388 -0.626 602 H SER 77 H SER 77 12.435 0.383 2.479 603 HA SER 77 HA SER 77 10.420 -1.495 2.916 604 HB2 SER 77 1HB SER 77 11.907 -2.554 4.431 605 HB3 SER 77 2HB SER 77 12.943 -1.768 3.240 606 HG SER 77 HG SER 77 13.754 -0.608 4.783 607 H GLY 78 H GLY 78 8.860 -1.756 4.424 608 HA2 GLY 78 1HA GLY 78 8.608 -0.938 6.965 609 HA3 GLY 78 2HA GLY 78 8.237 0.540 6.089 610 H GLU 79 H GLU 79 6.307 -0.344 7.676 611 HA GLU 79 HA GLU 79 4.521 -2.162 6.346 612 HB2 GLU 79 1HB GLU 79 4.535 -2.049 8.774 613 HB3 GLU 79 2HB GLU 79 4.114 -0.343 8.726 614 HG2 GLU 79 1HG GLU 79 2.165 -1.615 9.277 615 HG3 GLU 79 2HG GLU 79 1.968 -0.937 7.662 616 H PHE 80 H PHE 80 3.007 -1.700 4.889 617 HA PHE 80 HA PHE 80 2.455 1.133 4.323 618 HB2 PHE 80 1HB PHE 80 2.636 -1.305 2.616 619 HB3 PHE 80 2HB PHE 80 1.514 -0.038 2.128 620 HD1 PHE 80 1HD PHE 80 5.064 -0.687 2.971 621 HD2 PHE 80 2HD PHE 80 2.275 1.873 1.025 622 HE1 PHE 80 1HE PHE 80 6.924 0.557 1.950 623 HE2 PHE 80 2HE PHE 80 4.132 3.121 -0.001 624 HZ PHE 80 HZ PHE 80 6.460 2.463 0.460 625 H GLU 81 H GLU 81 0.489 1.920 4.697 626 HA GLU 81 HA GLU 81 -1.723 0.012 5.089 627 HB2 GLU 81 1HB GLU 81 -0.956 1.147 7.176 628 HB3 GLU 81 2HB GLU 81 -1.381 2.689 6.447 629 HG2 GLU 81 1HG GLU 81 -3.719 1.891 6.247 630 HG3 GLU 81 2HG GLU 81 -3.253 0.434 7.122 631 H CYS 82 H CYS 82 -3.778 0.601 4.344 632 HA CYS 82 HA CYS 82 -3.823 2.891 2.491 633 HB2 CYS 82 1HB CYS 82 -3.803 0.430 1.556 634 HB3 CYS 82 2HB CYS 82 -5.507 0.468 1.993 635 HG CYS 82 HG CYS 82 -6.049 2.728 0.379 636 H ARG 83 H ARG 83 -4.720 4.112 4.265 637 HA ARG 83 HA ARG 83 -7.237 3.347 5.410 638 HB2 ARG 83 1HB ARG 83 -5.602 4.718 6.646 639 HB3 ARG 83 2HB ARG 83 -5.806 6.010 5.470 640 HG2 ARG 83 1HG ARG 83 -8.265 5.998 6.117 641 HG3 ARG 83 2HG ARG 83 -7.779 5.000 7.489 642 HD2 ARG 83 1HD ARG 83 -6.074 6.829 7.995 643 HD3 ARG 83 2HD ARG 83 -6.971 7.822 6.847 644 HE ARG 83 HE ARG 83 -8.591 6.635 8.915 645 HH11 ARG 83 2HH1 ARG 83 -6.639 9.364 7.986 646 HH12 ARG 83 1HH1 ARG 83 -7.397 10.452 9.101 647 HH21 ARG 83 2HH2 ARG 83 -9.597 8.057 10.388 648 HH22 ARG 83 1HH2 ARG 83 -9.079 9.707 10.468 649 H THR 84 H THR 84 -8.995 3.311 4.165 650 HA THR 84 HA THR 84 -9.334 5.285 2.045 651 HB THR 84 HB THR 84 -10.065 3.375 1.078 652 HG1 THR 84 1HG THR 84 -12.460 3.506 2.524 653 HG21 THR 84 1HG2 THR 84 -11.219 1.539 2.475 654 HG22 THR 84 2HG2 THR 84 -10.625 2.435 3.873 655 HG23 THR 84 3HG2 THR 84 -9.487 1.788 2.692 656 H GLU 85 H GLU 85 -11.739 3.865 4.244 657 HA GLU 85 HA GLU 85 -12.604 6.591 4.943 658 HB2 GLU 85 1HB GLU 85 -14.111 5.541 3.251 659 HB3 GLU 85 2HB GLU 85 -14.450 4.260 4.406 660 HG2 GLU 85 1HG GLU 85 -16.247 5.645 4.716 661 HG3 GLU 85 2HG GLU 85 -15.146 6.217 5.967 662 H GLY 86 H GLY 86 -12.859 3.150 5.824 663 HA2 GLY 86 1HA GLY 86 -12.671 3.970 8.649 664 HA3 GLY 86 2HA GLY 86 -13.911 2.832 8.141 665 H VAL 87 H VAL 87 -12.084 1.569 6.183 666 HA VAL 87 HA VAL 87 -10.457 0.038 8.106 667 HB VAL 87 HB VAL 87 -10.663 -1.876 6.570 668 HG11 VAL 87 1HG1 VAL 87 -12.315 -2.370 7.976 669 HG12 VAL 87 2HG1 VAL 87 -12.805 -0.678 8.095 670 HG13 VAL 87 3HG1 VAL 87 -13.429 -1.689 6.791 671 HG21 VAL 87 1HG2 VAL 87 -12.197 0.115 4.959 672 HG22 VAL 87 2HG2 VAL 87 -10.992 -1.061 4.437 673 HG23 VAL 87 3HG2 VAL 87 -12.618 -1.595 4.861 674 H SER 88 H SER 88 -8.671 -1.243 6.840 675 HA SER 88 HA SER 88 -7.505 0.119 4.599 676 HB2 SER 88 1HB SER 88 -5.756 0.163 7.027 677 HB3 SER 88 2HB SER 88 -5.704 1.184 5.590 678 HG SER 88 HG SER 88 -7.586 1.291 7.710 679 H ALA 89 H ALA 89 -5.407 -0.865 3.969 680 HA ALA 89 HA ALA 89 -5.309 -3.688 4.810 681 HB1 ALA 89 1HB ALA 89 -4.620 -2.456 2.146 682 HB2 ALA 89 2HB ALA 89 -4.367 -4.150 2.567 683 HB3 ALA 89 3HB ALA 89 -6.001 -3.490 2.513 684 H PHE 90 H PHE 90 -3.473 -4.459 5.649 685 HA PHE 90 HA PHE 90 -1.164 -2.660 5.769 686 HB2 PHE 90 1HB PHE 90 -2.037 -5.008 7.440 687 HB3 PHE 90 2HB PHE 90 -0.401 -4.366 7.540 688 HD1 PHE 90 1HD PHE 90 -3.963 -3.579 8.066 689 HD2 PHE 90 2HD PHE 90 0.066 -2.367 8.713 690 HE1 PHE 90 1HE PHE 90 -4.735 -1.876 9.666 691 HE2 PHE 90 2HE PHE 90 -0.700 -0.663 10.315 692 HZ PHE 90 HZ PHE 90 -3.103 -0.416 10.793 693 H PHE 91 H PHE 91 0.596 -3.037 4.603 694 HA PHE 91 HA PHE 91 1.048 -5.763 3.580 695 HB2 PHE 91 1HB PHE 91 1.677 -3.198 2.108 696 HB3 PHE 91 2HB PHE 91 1.871 -4.838 1.497 697 HD1 PHE 91 2HD PHE 91 -0.507 -2.173 2.265 698 HD2 PHE 91 1HD PHE 91 -0.036 -6.131 0.773 699 HE1 PHE 91 2HE PHE 91 -2.792 -2.099 1.357 700 HE2 PHE 91 1HE PHE 91 -2.320 -6.064 -0.138 701 HZ PHE 91 HZ PHE 91 -3.702 -4.046 0.155 702 H GLY 92 H GLY 92 2.788 -6.574 4.542 703 HA2 GLY 92 1HA GLY 92 4.845 -4.847 5.620 704 HA3 GLY 92 2HA GLY 92 4.773 -6.598 5.755 705 H VAL 93 H VAL 93 6.292 -4.000 4.262 706 HA VAL 93 HA VAL 93 7.382 -5.719 2.134 707 HB VAL 93 HB VAL 93 7.375 -2.704 2.337 708 HG11 VAL 93 1HG1 VAL 93 8.233 -2.840 -0.018 709 HG12 VAL 93 2HG1 VAL 93 9.376 -3.357 1.224 710 HG13 VAL 93 3HG1 VAL 93 8.518 -4.559 0.257 711 HG21 VAL 93 1HG2 VAL 93 6.073 -4.082 0.082 712 HG22 VAL 93 2HG2 VAL 93 5.285 -4.269 1.649 713 HG23 VAL 93 3HG2 VAL 93 5.565 -2.657 0.989 714 H THR 94 H THR 94 9.623 -5.795 1.788 715 HA THR 94 HA THR 94 11.362 -4.540 3.768 716 HB THR 94 HB THR 94 11.288 -7.530 3.322 717 HG1 THR 94 1HG THR 94 9.808 -6.285 4.888 718 HG21 THR 94 1HG2 THR 94 13.505 -7.361 3.707 719 HG22 THR 94 2HG2 THR 94 13.011 -7.120 5.382 720 HG23 THR 94 3HG2 THR 94 13.369 -5.729 4.359 721 H VAL 95 H VAL 95 12.900 -3.568 2.637 722 HA VAL 95 HA VAL 95 13.725 -4.708 0.061 723 HB VAL 95 HB VAL 95 14.307 -1.959 1.169 724 HG11 VAL 95 1HG1 VAL 95 14.588 -3.019 -1.640 725 HG12 VAL 95 2HG1 VAL 95 15.020 -1.407 -1.067 726 HG13 VAL 95 3HG1 VAL 95 15.921 -2.815 -0.504 727 HG21 VAL 95 1HG2 VAL 95 12.008 -1.926 0.844 728 HG22 VAL 95 2HG2 VAL 95 12.629 -1.330 -0.696 729 HG23 VAL 95 3HG2 VAL 95 12.088 -3.003 -0.551 730 H GLN 96 H GLN 96 15.391 -6.065 0.261 731 HA GLN 96 HA GLN 96 17.511 -5.452 2.191 732 HB2 GLN 96 1HB GLN 96 16.618 -7.966 0.823 733 HB3 GLN 96 2HB GLN 96 18.245 -7.851 1.481 734 HG2 GLN 96 1HG GLN 96 17.187 -7.215 3.676 735 HG3 GLN 96 2HG GLN 96 15.639 -7.662 2.961 736 HE21 GLN 96 1HE2 GLN 96 15.742 -9.891 1.845 737 HE22 GLN 96 2HE2 GLN 96 16.474 -11.148 2.778 738 H ASP 97 H ASP 97 19.531 -4.936 1.577 739 HA ASP 97 HA ASP 97 20.007 -4.263 -1.166 740 HB2 ASP 97 1HB ASP 97 22.169 -3.450 -0.389 741 HB3 ASP 97 2HB ASP 97 20.894 -2.903 0.695 742 HA PRO 98 HA PRO 98 21.665 -8.169 -2.418 743 HB2 PRO 98 1HB PRO 98 22.724 -7.347 -4.778 744 HB3 PRO 98 2HB PRO 98 20.990 -7.592 -4.536 745 HG2 PRO 98 1HG PRO 98 22.570 -5.049 -4.488 746 HG3 PRO 98 2HG PRO 98 20.994 -5.373 -5.234 747 HD2 PRO 98 1HD PRO 98 21.247 -4.115 -2.849 748 HD3 PRO 98 2HD PRO 98 19.864 -5.159 -3.236 749 H SER 99 H SER 99 23.632 -9.221 -2.467 750 HA SER 99 HA SER 99 25.757 -8.211 -1.029 751 HB2 SER 99 1HB SER 99 25.563 -10.450 -3.029 752 HB3 SER 99 2HB SER 99 27.099 -10.058 -2.257 753 HG SER 99 HG SER 99 26.162 -11.550 -0.956 754 H GLY 100 H GLY 100 27.642 -7.159 -1.485 755 HA2 GLY 100 1HA GLY 100 29.241 -6.031 -2.715 756 HA3 GLY 100 2HA GLY 100 28.537 -6.709 -4.176 757 HA PRO 101 HA PRO 101 27.529 -2.106 -3.632 758 HB2 PRO 101 1HB PRO 101 29.097 -1.154 -5.633 759 HB3 PRO 101 2HB PRO 101 29.661 -1.316 -3.965 760 HG2 PRO 101 1HG PRO 101 30.109 -3.133 -6.302 761 HG3 PRO 101 2HG PRO 101 31.259 -2.603 -5.060 762 HD2 PRO 101 1HD PRO 101 30.058 -5.029 -4.993 763 HD3 PRO 101 2HD PRO 101 30.499 -4.140 -3.521 764 H SER 102 H SER 102 25.830 -1.327 -4.735 765 HA SER 102 HA SER 102 25.465 -2.035 -7.544 766 HB2 SER 102 1HB SER 102 23.055 -2.632 -7.069 767 HB3 SER 102 2HB SER 102 24.240 -3.798 -6.483 768 HG SER 102 HG SER 102 23.424 -1.753 -4.760 769 H SER 103 H SER 103 24.800 -0.337 -8.684 770 HA SER 103 HA SER 103 24.278 1.847 -9.130 771 HB2 SER 103 1HB SER 103 22.001 2.468 -8.477 772 HB3 SER 103 2HB SER 103 22.052 0.785 -9.002 773 HG SER 103 HG SER 103 20.862 1.182 -7.020 774 H GLY 104 H GLY 104 26.198 1.692 -7.132 775 HA2 GLY 104 1HA GLY 104 25.353 3.722 -5.170 776 HA3 GLY 104 2HA GLY 104 26.722 2.637 -4.977 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -27.727 1.383 -7.275 2 HA2 GLY 1 1HA GLY 1 -30.127 1.940 -6.220 3 HA3 GLY 1 2HA GLY 1 -29.954 0.242 -5.801 4 H SER 2 H SER 2 -29.943 0.711 -3.584 5 HA SER 2 HA SER 2 -27.365 1.731 -2.623 6 HB2 SER 2 1HB SER 2 -30.101 2.622 -1.725 7 HB3 SER 2 2HB SER 2 -28.684 2.792 -0.689 8 HG SER 2 HG SER 2 -29.195 3.997 -3.193 9 H SER 3 H SER 3 -26.426 0.192 -1.474 10 HA SER 3 HA SER 3 -27.520 -2.209 -0.708 11 HB2 SER 3 1HB SER 3 -25.112 -1.833 -0.735 12 HB3 SER 3 2HB SER 3 -25.248 -0.706 0.615 13 HG SER 3 HG SER 3 -24.670 -3.071 0.982 14 H GLY 4 H GLY 4 -27.906 -3.071 1.489 15 HA2 GLY 4 1HA GLY 4 -29.794 -1.385 2.871 16 HA3 GLY 4 2HA GLY 4 -29.415 -3.059 3.249 17 H SER 5 H SER 5 -29.303 -2.662 5.466 18 HA SER 5 HA SER 5 -27.581 -0.648 6.549 19 HB2 SER 5 1HB SER 5 -28.937 -3.017 7.857 20 HB3 SER 5 2HB SER 5 -28.082 -1.744 8.728 21 HG SER 5 HG SER 5 -30.483 -1.575 8.413 22 H SER 6 H SER 6 -25.499 -0.951 5.852 23 HA SER 6 HA SER 6 -23.974 -2.962 7.221 24 HB2 SER 6 1HB SER 6 -24.473 -3.159 4.271 25 HB3 SER 6 2HB SER 6 -22.919 -3.675 4.927 26 HG SER 6 HG SER 6 -25.495 -4.689 5.489 27 H GLY 7 H GLY 7 -21.623 -2.711 6.823 28 HA2 GLY 7 1HA GLY 7 -20.741 -0.132 7.154 29 HA3 GLY 7 2HA GLY 7 -19.728 -1.436 6.550 30 HA PRO 8 HA PRO 8 -20.778 1.915 3.275 31 HB2 PRO 8 1HB PRO 8 -18.630 3.551 3.553 32 HB3 PRO 8 2HB PRO 8 -20.151 3.809 4.414 33 HG2 PRO 8 1HG PRO 8 -17.617 2.546 5.384 34 HG3 PRO 8 2HG PRO 8 -18.681 3.697 6.212 35 HD2 PRO 8 1HD PRO 8 -18.736 1.037 6.719 36 HD3 PRO 8 2HD PRO 8 -20.184 2.059 6.825 37 H VAL 9 H VAL 9 -17.480 0.977 4.272 38 HA VAL 9 HA VAL 9 -17.086 -0.309 1.684 39 HB VAL 9 HB VAL 9 -16.232 1.892 1.231 40 HG11 VAL 9 1HG1 VAL 9 -14.879 3.141 2.607 41 HG12 VAL 9 2HG1 VAL 9 -15.856 2.276 3.796 42 HG13 VAL 9 3HG1 VAL 9 -14.221 1.725 3.426 43 HG21 VAL 9 1HG2 VAL 9 -14.678 -0.453 1.135 44 HG22 VAL 9 2HG2 VAL 9 -14.536 0.983 0.121 45 HG23 VAL 9 3HG2 VAL 9 -13.591 0.854 1.604 46 H HIS 10 H HIS 10 -15.974 -2.156 1.863 47 HA HIS 10 HA HIS 10 -14.323 -2.576 4.261 48 HB2 HIS 10 1HB HIS 10 -15.158 -4.968 4.242 49 HB3 HIS 10 2HB HIS 10 -16.332 -3.756 4.747 50 HD1 HIS 10 1HD HIS 10 -18.248 -3.192 3.033 51 HD2 HIS 10 2HD HIS 10 -15.833 -6.405 1.982 52 HE1 HIS 10 1HE HIS 10 -19.491 -4.400 1.211 53 HE2 HIS 10 2HE HIS 10 -18.051 -6.388 0.651 54 H ILE 11 H ILE 11 -12.367 -3.422 3.883 55 HA ILE 11 HA ILE 11 -11.494 -3.807 1.190 56 HB ILE 11 HB ILE 11 -10.066 -4.324 3.800 57 HG12 ILE 11 1HG1 ILE 11 -9.526 -2.076 1.882 58 HG13 ILE 11 2HG1 ILE 11 -10.809 -1.938 3.079 59 HG21 ILE 11 1HG2 ILE 11 -9.295 -4.778 0.994 60 HG22 ILE 11 2HG2 ILE 11 -8.097 -3.960 1.997 61 HG23 ILE 11 3HG2 ILE 11 -8.712 -5.543 2.472 62 HD11 ILE 11 1HD1 ILE 11 -7.881 -1.903 3.420 63 HD12 ILE 11 2HD1 ILE 11 -9.142 -1.026 4.288 64 HD13 ILE 11 3HD1 ILE 11 -8.816 -2.716 4.675 65 H LEU 12 H LEU 12 -11.360 -5.624 0.038 66 HA LEU 12 HA LEU 12 -12.236 -8.115 1.258 67 HB2 LEU 12 1HB LEU 12 -11.444 -7.858 -1.609 68 HB3 LEU 12 2HB LEU 12 -12.673 -8.887 -0.875 69 HG LEU 12 HG LEU 12 -12.945 -5.897 -1.132 70 HD11 LEU 12 1HD1 LEU 12 -14.192 -6.189 -3.101 71 HD12 LEU 12 2HD1 LEU 12 -14.255 -7.940 -2.902 72 HD13 LEU 12 3HD1 LEU 12 -12.734 -7.156 -3.329 73 HD21 LEU 12 1HD2 LEU 12 -15.055 -8.002 -0.709 74 HD22 LEU 12 2HD2 LEU 12 -15.231 -6.251 -0.595 75 HD23 LEU 12 3HD2 LEU 12 -14.281 -7.123 0.609 76 H SER 13 H SER 13 -9.339 -6.629 0.050 77 HA SER 13 HA SER 13 -7.718 -8.706 1.178 78 HB2 SER 13 1HB SER 13 -8.349 -9.673 -1.047 79 HB3 SER 13 2HB SER 13 -7.546 -8.304 -1.816 80 HG SER 13 HG SER 13 -5.624 -8.981 -0.664 81 HA PRO 14 HA PRO 14 -5.741 -9.167 1.620 82 HB2 PRO 14 1HB PRO 14 -4.438 -8.407 3.878 83 HB3 PRO 14 2HB PRO 14 -3.627 -8.600 2.319 84 HG2 PRO 14 1HG PRO 14 -4.597 -6.101 3.653 85 HG3 PRO 14 2HG PRO 14 -3.073 -6.392 2.794 86 HD2 PRO 14 1HD PRO 14 -5.167 -5.109 1.653 87 HD3 PRO 14 2HD PRO 14 -4.045 -6.120 0.721 88 H GLN 15 H GLN 15 -5.931 -9.735 4.213 89 HA GLN 15 HA GLN 15 -8.539 -8.625 5.016 90 HB2 GLN 15 1HB GLN 15 -7.425 -11.387 5.535 91 HB3 GLN 15 2HB GLN 15 -8.983 -10.793 6.096 92 HG2 GLN 15 1HG GLN 15 -9.855 -10.711 3.913 93 HG3 GLN 15 2HG GLN 15 -8.259 -10.897 3.187 94 HE21 GLN 15 1HE2 GLN 15 -10.853 -12.511 4.866 95 HE22 GLN 15 2HE2 GLN 15 -10.374 -14.122 4.469 96 H ASP 16 H ASP 16 -5.352 -9.620 6.082 97 HA ASP 16 HA ASP 16 -5.798 -8.148 8.585 98 HB2 ASP 16 1HB ASP 16 -5.815 -10.793 8.695 99 HB3 ASP 16 2HB ASP 16 -4.067 -10.582 8.645 100 H LYS 17 H LYS 17 -3.090 -9.956 7.140 101 HA LYS 17 HA LYS 17 -1.635 -7.551 6.539 102 HB2 LYS 17 1HB LYS 17 -1.132 -7.572 8.872 103 HB3 LYS 17 2HB LYS 17 -0.810 -9.301 8.854 104 HG2 LYS 17 1HG LYS 17 1.297 -8.312 8.957 105 HG3 LYS 17 2HG LYS 17 1.104 -8.754 7.259 106 HD2 LYS 17 1HD LYS 17 0.798 -6.554 6.590 107 HD3 LYS 17 2HD LYS 17 0.310 -6.027 8.203 108 HE2 LYS 17 1HE LYS 17 3.092 -6.937 7.478 109 HE3 LYS 17 2HE LYS 17 2.577 -5.251 7.511 110 HZ1 LYS 17 1HZ LYS 17 3.180 -7.043 9.703 111 HZ2 LYS 17 2HZ LYS 17 1.805 -6.085 9.928 112 HZ3 LYS 17 3HZ LYS 17 3.299 -5.357 9.617 113 H VAL 18 H VAL 18 0.019 -7.900 5.101 114 HA VAL 18 HA VAL 18 0.442 -10.701 4.281 115 HB VAL 18 HB VAL 18 0.837 -9.908 2.011 116 HG11 VAL 18 1HG1 VAL 18 -1.519 -8.887 1.631 117 HG12 VAL 18 2HG1 VAL 18 -1.379 -10.528 2.264 118 HG13 VAL 18 3HG1 VAL 18 -1.736 -9.188 3.355 119 HG21 VAL 18 1HG2 VAL 18 1.612 -7.598 2.914 120 HG22 VAL 18 2HG2 VAL 18 0.811 -7.691 1.345 121 HG23 VAL 18 3HG2 VAL 18 -0.091 -7.167 2.767 122 H SER 19 H SER 19 2.549 -10.818 2.867 123 HA SER 19 HA SER 19 4.682 -9.175 4.008 124 HB2 SER 19 1HB SER 19 4.591 -11.122 5.473 125 HB3 SER 19 2HB SER 19 4.659 -12.202 4.080 126 HG SER 19 HG SER 19 6.689 -11.461 5.390 127 H LEU 20 H LEU 20 6.275 -8.714 2.594 128 HA LEU 20 HA LEU 20 6.591 -10.337 0.189 129 HB2 LEU 20 1HB LEU 20 6.369 -7.361 -0.074 130 HB3 LEU 20 2HB LEU 20 6.285 -8.592 -1.333 131 HG LEU 20 HG LEU 20 4.149 -8.481 0.752 132 HD11 LEU 20 1HD1 LEU 20 3.767 -6.333 0.211 133 HD12 LEU 20 2HD1 LEU 20 3.055 -7.028 -1.245 134 HD13 LEU 20 3HD1 LEU 20 4.712 -6.427 -1.275 135 HD21 LEU 20 1HD2 LEU 20 4.168 -9.202 -2.178 136 HD22 LEU 20 2HD2 LEU 20 2.792 -9.340 -1.083 137 HD23 LEU 20 3HD2 LEU 20 4.222 -10.343 -0.834 138 H THR 21 H THR 21 8.584 -9.955 -0.933 139 HA THR 21 HA THR 21 10.570 -8.367 0.534 140 HB THR 21 HB THR 21 11.128 -11.173 -0.438 141 HG1 THR 21 1HG THR 21 10.990 -10.452 2.286 142 HG21 THR 21 1HG2 THR 21 12.713 -9.068 0.985 143 HG22 THR 21 2HG2 THR 21 13.174 -10.080 -0.384 144 HG23 THR 21 3HG2 THR 21 13.082 -10.774 1.235 145 H PHE 22 H PHE 22 12.069 -7.362 -0.721 146 HA PHE 22 HA PHE 22 12.332 -8.104 -3.527 147 HB2 PHE 22 1HB PHE 22 11.572 -5.306 -2.663 148 HB3 PHE 22 2HB PHE 22 11.936 -5.814 -4.308 149 HD1 PHE 22 1HD PHE 22 9.541 -6.192 -1.525 150 HD2 PHE 22 2HD PHE 22 10.297 -6.830 -5.665 151 HE1 PHE 22 1HE PHE 22 7.171 -6.755 -1.867 152 HE2 PHE 22 2HE PHE 22 7.928 -7.393 -6.014 153 HZ PHE 22 HZ PHE 22 6.361 -7.356 -4.114 154 H THR 23 H THR 23 14.104 -6.874 -4.601 155 HA THR 23 HA THR 23 16.279 -6.429 -2.679 156 HB THR 23 HB THR 23 16.438 -6.991 -5.647 157 HG1 THR 23 1HG THR 23 17.346 -8.744 -3.642 158 HG21 THR 23 1HG2 THR 23 18.854 -7.391 -5.134 159 HG22 THR 23 2HG2 THR 23 18.572 -6.709 -3.533 160 HG23 THR 23 3HG2 THR 23 18.350 -5.710 -4.968 161 H THR 24 H THR 24 17.690 -4.654 -2.903 162 HA THR 24 HA THR 24 16.514 -2.191 -3.393 163 HB THR 24 HB THR 24 19.449 -2.913 -3.396 164 HG1 THR 24 1HG THR 24 17.826 -1.718 -1.379 165 HG21 THR 24 1HG2 THR 24 19.281 -0.824 -4.522 166 HG22 THR 24 2HG2 THR 24 19.742 -0.462 -2.858 167 HG23 THR 24 3HG2 THR 24 18.074 -0.232 -3.382 168 H SER 25 H SER 25 16.482 -0.771 -5.091 169 HA SER 25 HA SER 25 16.602 0.002 -7.232 170 HB2 SER 25 1HB SER 25 18.673 -2.120 -7.803 171 HB3 SER 25 2HB SER 25 18.454 -0.569 -8.613 172 HG SER 25 HG SER 25 18.864 0.236 -6.299 173 H GLU 26 H GLU 26 14.558 -1.663 -6.663 174 HA GLU 26 HA GLU 26 14.183 -3.057 -9.210 175 HB2 GLU 26 1HB GLU 26 13.690 -4.247 -6.480 176 HB3 GLU 26 2HB GLU 26 13.004 -4.908 -7.957 177 HG2 GLU 26 1HG GLU 26 15.497 -4.915 -8.751 178 HG3 GLU 26 2HG GLU 26 15.827 -4.890 -7.020 179 H ARG 27 H ARG 27 11.768 -3.808 -9.324 180 HA ARG 27 HA ARG 27 10.168 -1.451 -8.652 181 HB2 ARG 27 1HB ARG 27 10.269 -2.250 -11.014 182 HB3 ARG 27 2HB ARG 27 9.489 -3.741 -10.503 183 HG2 ARG 27 1HG ARG 27 7.691 -2.057 -9.552 184 HG3 ARG 27 2HG ARG 27 8.363 -1.015 -10.808 185 HD2 ARG 27 1HD ARG 27 8.027 -2.977 -12.392 186 HD3 ARG 27 2HD ARG 27 7.052 -3.703 -11.115 187 HE ARG 27 HE ARG 27 5.969 -1.236 -11.412 188 HH11 ARG 27 2HH1 ARG 27 6.693 -3.831 -13.617 189 HH12 ARG 27 1HH1 ARG 27 5.394 -3.449 -14.698 190 HH21 ARG 27 2HH2 ARG 27 4.255 -0.724 -12.827 191 HH22 ARG 27 1HH2 ARG 27 4.008 -1.681 -14.248 192 H VAL 28 H VAL 28 8.752 -1.496 -7.042 193 HA VAL 28 HA VAL 28 7.699 -4.105 -6.161 194 HB VAL 28 HB VAL 28 8.430 -1.770 -4.387 195 HG11 VAL 28 1HG1 VAL 28 7.561 -2.902 -2.582 196 HG12 VAL 28 2HG1 VAL 28 6.402 -3.330 -3.842 197 HG13 VAL 28 3HG1 VAL 28 7.665 -4.472 -3.379 198 HG21 VAL 28 1HG2 VAL 28 9.985 -3.616 -3.432 199 HG22 VAL 28 2HG2 VAL 28 9.772 -4.370 -5.012 200 HG23 VAL 28 3HG2 VAL 28 10.465 -2.752 -4.892 201 H VAL 29 H VAL 29 5.581 -4.222 -6.443 202 HA VAL 29 HA VAL 29 3.957 -1.805 -6.015 203 HB VAL 29 HB VAL 29 3.911 -1.964 -8.348 204 HG11 VAL 29 1HG1 VAL 29 4.856 -3.857 -9.123 205 HG12 VAL 29 2HG1 VAL 29 4.160 -4.854 -7.844 206 HG13 VAL 29 3HG1 VAL 29 3.185 -4.406 -9.244 207 HG21 VAL 29 1HG2 VAL 29 1.679 -2.176 -8.771 208 HG22 VAL 29 2HG2 VAL 29 1.539 -3.693 -7.883 209 HG23 VAL 29 3HG2 VAL 29 1.635 -2.164 -7.008 210 H LEU 30 H LEU 30 2.398 -2.085 -4.565 211 HA LEU 30 HA LEU 30 1.840 -4.748 -3.561 212 HB2 LEU 30 1HB LEU 30 0.729 -2.089 -2.676 213 HB3 LEU 30 2HB LEU 30 0.593 -3.620 -1.814 214 HG LEU 30 HG LEU 30 3.170 -2.133 -2.319 215 HD11 LEU 30 1HD1 LEU 30 2.552 -2.343 0.427 216 HD12 LEU 30 2HD1 LEU 30 1.121 -1.708 -0.385 217 HD13 LEU 30 3HD1 LEU 30 2.672 -0.885 -0.559 218 HD21 LEU 30 1HD2 LEU 30 2.493 -4.769 -1.145 219 HD22 LEU 30 2HD2 LEU 30 3.740 -3.817 -0.339 220 HD23 LEU 30 3HD2 LEU 30 3.925 -4.257 -2.038 221 H THR 31 H THR 31 -0.736 -4.645 -2.741 222 HA THR 31 HA THR 31 -2.481 -3.896 -4.917 223 HB THR 31 HB THR 31 -2.557 -6.807 -4.223 224 HG1 THR 31 1HG THR 31 -0.975 -7.272 -5.635 225 HG21 THR 31 1HG2 THR 31 -3.343 -6.852 -6.652 226 HG22 THR 31 2HG2 THR 31 -3.418 -5.093 -6.541 227 HG23 THR 31 3HG2 THR 31 -4.416 -6.087 -5.480 228 H CYS 32 H CYS 32 -4.437 -3.391 -4.149 229 HA CYS 32 HA CYS 32 -5.418 -4.671 -1.715 230 HB2 CYS 32 1HB CYS 32 -4.143 -2.434 -1.271 231 HB3 CYS 32 2HB CYS 32 -5.596 -1.683 -1.919 232 HG CYS 32 HG CYS 32 -6.815 -3.715 0.177 233 H GLU 33 H GLU 33 -7.560 -5.036 -1.755 234 HA GLU 33 HA GLU 33 -9.081 -3.856 -3.983 235 HB2 GLU 33 1HB GLU 33 -8.701 -6.397 -3.851 236 HB3 GLU 33 2HB GLU 33 -9.842 -6.369 -2.514 237 HG2 GLU 33 1HG GLU 33 -11.588 -5.567 -3.916 238 HG3 GLU 33 2HG GLU 33 -10.468 -5.297 -5.250 239 H LEU 34 H LEU 34 -11.301 -3.310 -3.621 240 HA LEU 34 HA LEU 34 -12.065 -2.958 -0.809 241 HB2 LEU 34 1HB LEU 34 -12.142 -0.844 -2.954 242 HB3 LEU 34 2HB LEU 34 -12.939 -0.698 -1.389 243 HG LEU 34 HG LEU 34 -9.966 -1.073 -1.684 244 HD11 LEU 34 1HD1 LEU 34 -9.668 1.078 -2.154 245 HD12 LEU 34 2HD1 LEU 34 -10.819 1.580 -0.917 246 HD13 LEU 34 3HD1 LEU 34 -11.390 1.152 -2.529 247 HD21 LEU 34 1HD2 LEU 34 -9.873 -0.330 0.586 248 HD22 LEU 34 2HD2 LEU 34 -11.055 -1.635 0.489 249 HD23 LEU 34 3HD2 LEU 34 -11.597 0.041 0.591 250 H SER 35 H SER 35 -14.428 -2.193 -0.684 251 HA SER 35 HA SER 35 -15.978 -3.886 -2.509 252 HB2 SER 35 1HB SER 35 -16.159 -4.294 -0.053 253 HB3 SER 35 2HB SER 35 -16.835 -2.675 0.130 254 HG SER 35 HG SER 35 -18.008 -4.409 -1.725 255 H ARG 36 H ARG 36 -15.119 -0.726 -2.207 256 HA ARG 36 HA ARG 36 -17.623 0.199 -3.457 257 HB2 ARG 36 1HB ARG 36 -15.775 1.608 -1.542 258 HB3 ARG 36 2HB ARG 36 -16.882 2.496 -2.580 259 HG2 ARG 36 1HG ARG 36 -18.645 0.835 -1.538 260 HG3 ARG 36 2HG ARG 36 -17.450 0.760 -0.242 261 HD2 ARG 36 1HD ARG 36 -17.736 2.957 0.336 262 HD3 ARG 36 2HD ARG 36 -18.233 3.431 -1.288 263 HE ARG 36 HE ARG 36 -20.109 1.717 0.066 264 HH11 ARG 36 2HH1 ARG 36 -19.089 4.999 -0.488 265 HH12 ARG 36 1HH1 ARG 36 -20.633 5.682 -0.101 266 HH21 ARG 36 2HH2 ARG 36 -22.147 2.604 0.579 267 HH22 ARG 36 1HH2 ARG 36 -22.371 4.319 0.507 268 H VAL 37 H VAL 37 -17.475 1.188 -5.390 269 HA VAL 37 HA VAL 37 -14.858 1.268 -6.662 270 HB VAL 37 HB VAL 37 -17.669 1.515 -7.700 271 HG11 VAL 37 1HG1 VAL 37 -16.427 1.640 -9.984 272 HG12 VAL 37 2HG1 VAL 37 -16.686 3.114 -9.048 273 HG13 VAL 37 3HG1 VAL 37 -15.112 2.318 -9.024 274 HG21 VAL 37 1HG2 VAL 37 -15.429 -0.349 -8.470 275 HG22 VAL 37 2HG2 VAL 37 -16.663 -0.726 -7.268 276 HG23 VAL 37 3HG2 VAL 37 -17.123 -0.457 -8.949 277 H ASP 38 H ASP 38 -13.934 3.092 -7.580 278 HA ASP 38 HA ASP 38 -13.293 5.278 -7.616 279 HB2 ASP 38 1HB ASP 38 -15.441 5.235 -9.033 280 HB3 ASP 38 2HB ASP 38 -16.220 5.983 -7.642 281 H PHE 39 H PHE 39 -13.114 4.374 -5.124 282 HA PHE 39 HA PHE 39 -14.364 6.436 -3.434 283 HB2 PHE 39 1HB PHE 39 -14.643 3.834 -3.038 284 HB3 PHE 39 2HB PHE 39 -13.073 4.012 -2.261 285 HD1 PHE 39 2HD PHE 39 -16.493 5.478 -2.268 286 HD2 PHE 39 1HD PHE 39 -12.965 4.636 -0.042 287 HE1 PHE 39 2HE PHE 39 -17.605 6.262 -0.218 288 HE2 PHE 39 1HE PHE 39 -14.071 5.417 2.013 289 HZ PHE 39 HZ PHE 39 -16.393 6.233 1.926 290 HA PRO 40 HA PRO 40 -10.391 8.245 -2.839 291 HB2 PRO 40 1HB PRO 40 -10.906 9.609 -0.549 292 HB3 PRO 40 2HB PRO 40 -11.522 10.114 -2.126 293 HG2 PRO 40 1HG PRO 40 -12.909 8.603 0.054 294 HG3 PRO 40 2HG PRO 40 -13.520 9.931 -0.950 295 HD2 PRO 40 1HD PRO 40 -14.133 7.338 -1.433 296 HD3 PRO 40 2HD PRO 40 -13.979 8.540 -2.730 297 H ALA 41 H ALA 41 -8.575 8.217 -1.407 298 HA ALA 41 HA ALA 41 -8.579 6.856 1.077 299 HB1 ALA 41 1HB ALA 41 -7.453 5.289 -1.241 300 HB2 ALA 41 2HB ALA 41 -7.374 4.837 0.462 301 HB3 ALA 41 3HB ALA 41 -8.932 4.902 -0.362 302 H THR 42 H THR 42 -6.402 6.613 1.973 303 HA THR 42 HA THR 42 -4.336 8.143 0.557 304 HB THR 42 HB THR 42 -5.201 8.641 3.411 305 HG1 THR 42 1HG THR 42 -5.514 9.993 0.975 306 HG21 THR 42 1HG2 THR 42 -3.250 9.662 3.839 307 HG22 THR 42 2HG2 THR 42 -3.208 10.433 2.254 308 HG23 THR 42 3HG2 THR 42 -2.628 8.779 2.445 309 H TRP 43 H TRP 43 -2.470 7.085 0.538 310 HA TRP 43 HA TRP 43 -2.120 4.704 2.109 311 HB2 TRP 43 1HB TRP 43 -0.445 6.115 0.043 312 HB3 TRP 43 2HB TRP 43 0.181 4.740 0.949 313 HD1 TRP 43 HD TRP 43 -2.604 5.614 -1.570 314 HE1 TRP 43 1HE TRP 43 -3.278 3.458 -2.805 315 HE3 TRP 43 3HE TRP 43 0.209 2.257 1.066 316 HZ2 TRP 43 2HZ TRP 43 -2.694 0.700 -2.677 317 HZ3 TRP 43 3HZ TRP 43 0.094 -0.121 0.447 318 HH2 TRP 43 HH TRP 43 -1.328 -0.882 -1.386 319 H TYR 44 H TYR 44 -0.429 4.296 3.594 320 HA TYR 44 HA TYR 44 1.002 6.617 4.650 321 HB2 TYR 44 1HB TYR 44 -0.871 4.861 6.232 322 HB3 TYR 44 2HB TYR 44 0.390 5.822 6.997 323 HD1 TYR 44 1HD TYR 44 -2.734 5.986 5.039 324 HD2 TYR 44 2HD TYR 44 0.146 8.180 7.275 325 HE1 TYR 44 1HE TYR 44 -4.240 7.930 5.061 326 HE2 TYR 44 2HE TYR 44 -1.353 10.129 7.305 327 HH TYR 44 HH TYR 44 -3.943 10.464 7.106 328 H LYS 45 H LYS 45 2.781 6.045 6.062 329 HA LYS 45 HA LYS 45 3.653 3.247 5.839 330 HB2 LYS 45 1HB LYS 45 4.706 4.832 4.109 331 HB3 LYS 45 2HB LYS 45 5.564 5.544 5.469 332 HG2 LYS 45 1HG LYS 45 6.477 3.284 5.986 333 HG3 LYS 45 2HG LYS 45 5.740 2.704 4.491 334 HD2 LYS 45 1HD LYS 45 7.195 3.888 3.156 335 HD3 LYS 45 2HD LYS 45 7.511 5.103 4.397 336 HE2 LYS 45 1HE LYS 45 8.366 2.292 4.886 337 HE3 LYS 45 2HE LYS 45 9.309 3.283 3.775 338 HZ1 LYS 45 1HZ LYS 45 9.587 4.922 5.525 339 HZ2 LYS 45 2HZ LYS 45 10.166 3.415 6.028 340 HZ3 LYS 45 3HZ LYS 45 8.674 3.979 6.592 341 H ASP 46 H ASP 46 4.524 2.419 7.649 342 HA ASP 46 HA ASP 46 4.861 2.276 9.917 343 HB2 ASP 46 1HB ASP 46 6.770 4.467 9.085 344 HB3 ASP 46 2HB ASP 46 6.821 3.671 10.656 345 H GLY 47 H GLY 47 2.744 4.194 9.040 346 HA2 GLY 47 1HA GLY 47 1.200 5.336 10.385 347 HA3 GLY 47 2HA GLY 47 2.435 5.502 11.623 348 H GLN 48 H GLN 48 2.934 6.373 8.266 349 HA GLN 48 HA GLN 48 2.596 9.206 8.878 350 HB2 GLN 48 1HB GLN 48 4.765 9.849 8.506 351 HB3 GLN 48 2HB GLN 48 5.042 8.278 9.245 352 HG2 GLN 48 1HG GLN 48 5.324 7.276 7.048 353 HG3 GLN 48 2HG GLN 48 5.006 8.834 6.287 354 HE21 GLN 48 1HE2 GLN 48 7.364 6.763 7.358 355 HE22 GLN 48 2HE2 GLN 48 8.693 7.866 7.417 356 H LYS 49 H LYS 49 1.493 10.122 7.289 357 HA LYS 49 HA LYS 49 0.606 8.910 5.001 358 HB2 LYS 49 1HB LYS 49 -0.481 10.897 5.574 359 HB3 LYS 49 2HB LYS 49 1.024 11.795 5.709 360 HG2 LYS 49 1HG LYS 49 0.287 10.718 3.045 361 HG3 LYS 49 2HG LYS 49 -0.614 12.104 3.663 362 HD2 LYS 49 1HD LYS 49 2.384 12.078 3.694 363 HD3 LYS 49 2HD LYS 49 1.496 12.529 2.236 364 HE2 LYS 49 1HE LYS 49 0.206 14.084 3.944 365 HE3 LYS 49 2HE LYS 49 1.710 13.931 4.851 366 HZ1 LYS 49 1HZ LYS 49 1.769 14.659 1.997 367 HZ2 LYS 49 2HZ LYS 49 2.910 14.981 3.202 368 HZ3 LYS 49 3HZ LYS 49 1.454 15.840 3.166 369 H VAL 50 H VAL 50 1.197 8.920 2.820 370 HA VAL 50 HA VAL 50 4.073 9.286 2.368 371 HB VAL 50 HB VAL 50 3.836 7.835 0.444 372 HG11 VAL 50 1HG1 VAL 50 4.261 6.591 2.369 373 HG12 VAL 50 2HG1 VAL 50 2.645 6.870 3.021 374 HG13 VAL 50 3HG1 VAL 50 2.869 5.781 1.651 375 HG21 VAL 50 1HG2 VAL 50 1.480 6.692 0.261 376 HG22 VAL 50 2HG2 VAL 50 0.926 8.204 0.980 377 HG23 VAL 50 3HG2 VAL 50 1.802 8.224 -0.550 378 H GLU 51 H GLU 51 4.868 10.483 0.653 379 HA GLU 51 HA GLU 51 2.964 12.399 -0.494 380 HB2 GLU 51 1HB GLU 51 4.898 13.827 -0.917 381 HB3 GLU 51 2HB GLU 51 4.831 13.357 0.776 382 HG2 GLU 51 1HG GLU 51 6.436 11.444 -0.010 383 HG3 GLU 51 2HG GLU 51 6.760 12.554 -1.341 384 H GLU 52 H GLU 52 2.196 11.637 -2.372 385 HA GLU 52 HA GLU 52 3.386 9.846 -4.104 386 HB2 GLU 52 1HB GLU 52 1.413 12.061 -4.663 387 HB3 GLU 52 2HB GLU 52 1.871 10.855 -5.858 388 HG2 GLU 52 1HG GLU 52 0.003 9.867 -5.050 389 HG3 GLU 52 2HG GLU 52 1.179 9.197 -3.920 390 H SER 53 H SER 53 5.062 9.936 -5.439 391 HA SER 53 HA SER 53 5.771 12.380 -6.809 392 HB2 SER 53 1HB SER 53 6.905 12.425 -4.505 393 HB3 SER 53 2HB SER 53 7.902 11.099 -5.103 394 HG SER 53 HG SER 53 8.999 12.946 -5.576 395 H GLU 54 H GLU 54 8.102 11.848 -7.915 396 HA GLU 54 HA GLU 54 7.580 9.944 -9.870 397 HB2 GLU 54 1HB GLU 54 9.841 10.265 -10.615 398 HB3 GLU 54 2HB GLU 54 9.221 11.813 -10.057 399 HG2 GLU 54 1HG GLU 54 10.386 11.438 -7.899 400 HG3 GLU 54 2HG GLU 54 11.100 9.981 -8.587 401 H LEU 55 H LEU 55 9.100 9.609 -6.753 402 HA LEU 55 HA LEU 55 10.000 6.902 -7.334 403 HB2 LEU 55 1HB LEU 55 10.170 8.528 -4.800 404 HB3 LEU 55 2HB LEU 55 10.914 6.951 -5.060 405 HG LEU 55 HG LEU 55 11.615 9.390 -6.683 406 HD11 LEU 55 1HD1 LEU 55 13.533 9.693 -5.267 407 HD12 LEU 55 2HD1 LEU 55 13.077 8.302 -4.283 408 HD13 LEU 55 3HD1 LEU 55 12.075 9.752 -4.276 409 HD21 LEU 55 1HD2 LEU 55 13.597 8.104 -7.251 410 HD22 LEU 55 2HD2 LEU 55 12.137 7.216 -7.688 411 HD23 LEU 55 3HD2 LEU 55 13.042 6.769 -6.241 412 H LEU 56 H LEU 56 7.183 8.376 -6.348 413 HA LEU 56 HA LEU 56 6.199 5.852 -5.212 414 HB2 LEU 56 1HB LEU 56 6.678 7.665 -3.478 415 HB3 LEU 56 2HB LEU 56 5.310 8.528 -4.177 416 HG LEU 56 HG LEU 56 4.894 5.725 -3.263 417 HD11 LEU 56 1HD1 LEU 56 4.773 8.020 -1.331 418 HD12 LEU 56 2HD1 LEU 56 6.201 6.998 -1.487 419 HD13 LEU 56 3HD1 LEU 56 4.660 6.291 -1.000 420 HD21 LEU 56 1HD2 LEU 56 2.987 7.833 -2.588 421 HD22 LEU 56 2HD2 LEU 56 2.730 6.281 -3.385 422 HD23 LEU 56 3HD2 LEU 56 3.286 7.671 -4.319 423 H VAL 57 H VAL 57 4.922 5.171 -6.830 424 HA VAL 57 HA VAL 57 3.062 7.089 -8.057 425 HB VAL 57 HB VAL 57 3.610 4.311 -9.074 426 HG11 VAL 57 1HG1 VAL 57 1.698 6.064 -9.788 427 HG12 VAL 57 2HG1 VAL 57 2.997 6.566 -10.872 428 HG13 VAL 57 3HG1 VAL 57 2.418 4.899 -10.898 429 HG21 VAL 57 1HG2 VAL 57 5.360 6.651 -9.129 430 HG22 VAL 57 2HG2 VAL 57 5.725 4.955 -9.445 431 HG23 VAL 57 3HG2 VAL 57 5.042 5.962 -10.721 432 H VAL 58 H VAL 58 0.952 6.969 -7.645 433 HA VAL 58 HA VAL 58 -0.073 4.536 -6.330 434 HB VAL 58 HB VAL 58 -1.144 7.336 -5.971 435 HG11 VAL 58 1HG1 VAL 58 -1.685 5.239 -3.985 436 HG12 VAL 58 2HG1 VAL 58 -2.756 6.467 -4.663 437 HG13 VAL 58 3HG1 VAL 58 -2.427 4.986 -5.564 438 HG21 VAL 58 1HG2 VAL 58 0.808 5.746 -4.329 439 HG22 VAL 58 2HG2 VAL 58 0.983 7.383 -4.962 440 HG23 VAL 58 3HG2 VAL 58 -0.145 7.063 -3.645 441 H LYS 59 H LYS 59 -1.421 3.427 -7.568 442 HA LYS 59 HA LYS 59 -2.863 4.805 -9.716 443 HB2 LYS 59 1HB LYS 59 -2.449 1.846 -9.243 444 HB3 LYS 59 2HB LYS 59 -3.241 2.560 -10.642 445 HG2 LYS 59 1HG LYS 59 -0.442 3.343 -9.967 446 HG3 LYS 59 2HG LYS 59 -0.758 1.813 -10.788 447 HD2 LYS 59 1HD LYS 59 -1.887 2.975 -12.589 448 HD3 LYS 59 2HD LYS 59 -1.700 4.516 -11.748 449 HE2 LYS 59 1HE LYS 59 0.018 4.510 -13.334 450 HE3 LYS 59 2HE LYS 59 0.813 4.045 -11.830 451 HZ1 LYS 59 1HZ LYS 59 0.359 2.494 -14.241 452 HZ2 LYS 59 2HZ LYS 59 0.137 1.660 -12.787 453 HZ3 LYS 59 3HZ LYS 59 1.619 2.405 -13.117 454 H MET 60 H MET 60 -5.075 4.749 -9.911 455 HA MET 60 HA MET 60 -6.575 3.462 -7.733 456 HB2 MET 60 1HB MET 60 -6.480 5.789 -7.153 457 HB3 MET 60 2HB MET 60 -6.915 6.271 -8.787 458 HG2 MET 60 1HG MET 60 -9.071 4.851 -8.261 459 HG3 MET 60 2HG MET 60 -8.619 5.218 -6.598 460 HE1 MET 60 1HE MET 60 -10.987 5.735 -8.614 461 HE2 MET 60 2HE MET 60 -11.577 7.379 -8.375 462 HE3 MET 60 3HE MET 60 -10.574 6.996 -9.775 463 H ASP 61 H ASP 61 -7.627 1.871 -8.751 464 HA ASP 61 HA ASP 61 -9.186 2.579 -11.148 465 HB2 ASP 61 1HB ASP 61 -7.469 0.180 -10.619 466 HB3 ASP 61 2HB ASP 61 -8.873 0.030 -11.672 467 H GLY 62 H GLY 62 -11.203 2.767 -10.352 468 HA2 GLY 62 1HA GLY 62 -13.112 2.281 -9.142 469 HA3 GLY 62 2HA GLY 62 -12.866 0.690 -9.848 470 H ARG 63 H ARG 63 -12.909 -0.894 -8.416 471 HA ARG 63 HA ARG 63 -12.448 -0.322 -5.606 472 HB2 ARG 63 1HB ARG 63 -13.584 -2.627 -7.143 473 HB3 ARG 63 2HB ARG 63 -13.030 -2.878 -5.493 474 HG2 ARG 63 1HG ARG 63 -14.631 -1.418 -4.611 475 HG3 ARG 63 2HG ARG 63 -14.965 -0.697 -6.187 476 HD2 ARG 63 1HD ARG 63 -15.887 -2.876 -6.931 477 HD3 ARG 63 2HD ARG 63 -15.648 -3.497 -5.299 478 HE ARG 63 HE ARG 63 -17.155 -1.346 -4.830 479 HH11 ARG 63 2HH1 ARG 63 -17.473 -3.899 -7.175 480 HH12 ARG 63 1HH1 ARG 63 -19.202 -3.813 -7.227 481 HH21 ARG 63 2HH2 ARG 63 -19.432 -1.223 -4.889 482 HH22 ARG 63 1HH2 ARG 63 -20.316 -2.290 -5.927 483 H LYS 64 H LYS 64 -10.142 -0.070 -7.161 484 HA LYS 64 HA LYS 64 -8.483 -2.141 -5.937 485 HB2 LYS 64 1HB LYS 64 -8.425 -1.424 -8.872 486 HB3 LYS 64 2HB LYS 64 -7.152 -2.327 -8.061 487 HG2 LYS 64 1HG LYS 64 -8.992 -3.968 -7.389 488 HG3 LYS 64 2HG LYS 64 -9.979 -3.156 -8.608 489 HD2 LYS 64 1HD LYS 64 -8.452 -3.743 -10.343 490 HD3 LYS 64 2HD LYS 64 -7.256 -4.316 -9.178 491 HE2 LYS 64 1HE LYS 64 -8.763 -6.118 -8.513 492 HE3 LYS 64 2HE LYS 64 -9.975 -5.536 -9.654 493 HZ1 LYS 64 1HZ LYS 64 -7.687 -5.848 -11.135 494 HZ2 LYS 64 2HZ LYS 64 -9.033 -6.872 -11.134 495 HZ3 LYS 64 3HZ LYS 64 -7.717 -7.204 -10.123 496 H HIS 65 H HIS 65 -6.855 -1.227 -4.882 497 HA HIS 65 HA HIS 65 -5.665 1.239 -5.927 498 HB2 HIS 65 1HB HIS 65 -6.538 0.861 -3.054 499 HB3 HIS 65 2HB HIS 65 -5.648 2.245 -3.681 500 HD1 HIS 65 1HD HIS 65 -7.068 4.182 -4.243 501 HD2 HIS 65 2HD HIS 65 -9.171 0.607 -4.495 502 HE1 HIS 65 1HE HIS 65 -9.430 4.830 -4.811 503 HE2 HIS 65 2HE HIS 65 -10.702 2.657 -4.875 504 H ARG 66 H ARG 66 -3.570 0.879 -6.178 505 HA ARG 66 HA ARG 66 -2.142 -0.661 -4.123 506 HB2 ARG 66 1HB ARG 66 -0.763 -1.686 -5.929 507 HB3 ARG 66 2HB ARG 66 -2.447 -2.193 -5.951 508 HG2 ARG 66 1HG ARG 66 -2.850 -0.479 -7.728 509 HG3 ARG 66 2HG ARG 66 -1.105 -0.222 -7.783 510 HD2 ARG 66 1HD ARG 66 -2.722 -2.536 -8.697 511 HD3 ARG 66 2HD ARG 66 -1.310 -1.781 -9.434 512 HE ARG 66 HE ARG 66 -0.232 -2.902 -7.269 513 HH11 ARG 66 2HH1 ARG 66 -2.457 -4.167 -9.628 514 HH12 ARG 66 1HH1 ARG 66 -1.900 -5.800 -9.470 515 HH21 ARG 66 2HH2 ARG 66 0.510 -5.048 -7.051 516 HH22 ARG 66 1HH2 ARG 66 -0.212 -6.300 -8.003 517 H LEU 67 H LEU 67 0.307 -0.386 -4.425 518 HA LEU 67 HA LEU 67 0.903 2.372 -5.267 519 HB2 LEU 67 1HB LEU 67 0.731 1.918 -2.743 520 HB3 LEU 67 2HB LEU 67 2.248 1.043 -2.938 521 HG LEU 67 HG LEU 67 2.010 3.893 -3.830 522 HD11 LEU 67 1HD1 LEU 67 1.268 3.455 -1.372 523 HD12 LEU 67 2HD1 LEU 67 2.410 4.749 -1.731 524 HD13 LEU 67 3HD1 LEU 67 2.992 3.210 -1.096 525 HD21 LEU 67 1HD2 LEU 67 3.997 2.891 -4.566 526 HD22 LEU 67 2HD2 LEU 67 4.231 2.032 -3.043 527 HD23 LEU 67 3HD2 LEU 67 4.456 3.780 -3.114 528 H ILE 68 H ILE 68 2.302 2.358 -6.886 529 HA ILE 68 HA ILE 68 4.124 0.092 -7.204 530 HB ILE 68 HB ILE 68 3.175 2.247 -9.063 531 HG12 ILE 68 1HG1 ILE 68 3.393 -0.646 -9.751 532 HG13 ILE 68 2HG1 ILE 68 2.148 -0.164 -8.603 533 HG21 ILE 68 1HG2 ILE 68 5.549 0.437 -9.478 534 HG22 ILE 68 2HG2 ILE 68 4.773 1.383 -10.747 535 HG23 ILE 68 3HG2 ILE 68 5.559 2.199 -9.395 536 HD11 ILE 68 1HD1 ILE 68 0.936 0.059 -10.483 537 HD12 ILE 68 2HD1 ILE 68 1.708 1.645 -10.526 538 HD13 ILE 68 3HD1 ILE 68 2.353 0.323 -11.498 539 H LEU 69 H LEU 69 6.356 0.344 -7.469 540 HA LEU 69 HA LEU 69 7.476 2.979 -6.833 541 HB2 LEU 69 1HB LEU 69 8.053 0.386 -5.427 542 HB3 LEU 69 2HB LEU 69 9.161 1.756 -5.376 543 HG LEU 69 HG LEU 69 6.304 1.964 -4.458 544 HD11 LEU 69 1HD1 LEU 69 8.625 1.525 -2.615 545 HD12 LEU 69 2HD1 LEU 69 7.699 0.172 -3.263 546 HD13 LEU 69 3HD1 LEU 69 6.898 1.397 -2.280 547 HD21 LEU 69 1HD2 LEU 69 7.090 4.109 -4.687 548 HD22 LEU 69 2HD2 LEU 69 8.755 3.657 -4.321 549 HD23 LEU 69 3HD2 LEU 69 7.563 3.759 -3.024 550 HA PRO 70 HA PRO 70 9.904 1.771 -10.374 551 HB2 PRO 70 1HB PRO 70 11.333 4.076 -10.516 552 HB3 PRO 70 2HB PRO 70 9.666 3.942 -11.087 553 HG2 PRO 70 1HG PRO 70 10.700 5.043 -8.503 554 HG3 PRO 70 2HG PRO 70 9.435 5.686 -9.566 555 HD2 PRO 70 1HD PRO 70 8.875 4.293 -7.312 556 HD3 PRO 70 2HD PRO 70 7.838 4.236 -8.753 557 H GLU 71 H GLU 71 11.276 3.171 -7.423 558 HA GLU 71 HA GLU 71 13.585 1.379 -7.737 559 HB2 GLU 71 1HB GLU 71 13.925 3.953 -8.224 560 HB3 GLU 71 2HB GLU 71 13.973 4.056 -6.470 561 HG2 GLU 71 1HG GLU 71 15.786 2.370 -6.468 562 HG3 GLU 71 2HG GLU 71 15.784 2.421 -8.229 563 H ALA 72 H ALA 72 13.443 -0.045 -6.138 564 HA ALA 72 HA ALA 72 12.152 0.622 -3.637 565 HB1 ALA 72 1HB ALA 72 12.521 -1.724 -5.104 566 HB2 ALA 72 2HB ALA 72 13.458 -1.943 -3.626 567 HB3 ALA 72 3HB ALA 72 11.740 -1.558 -3.531 568 H LYS 73 H LYS 73 13.416 2.014 -2.484 569 HA LYS 73 HA LYS 73 16.237 1.412 -2.084 570 HB2 LYS 73 1HB LYS 73 14.683 3.687 -0.860 571 HB3 LYS 73 2HB LYS 73 16.421 3.570 -1.098 572 HG2 LYS 73 1HG LYS 73 15.930 3.533 -3.587 573 HG3 LYS 73 2HG LYS 73 14.287 4.016 -3.160 574 HD2 LYS 73 1HD LYS 73 16.545 5.566 -2.003 575 HD3 LYS 73 2HD LYS 73 16.172 5.796 -3.713 576 HE2 LYS 73 1HE LYS 73 14.845 7.403 -2.732 577 HE3 LYS 73 2HE LYS 73 13.723 6.048 -2.853 578 HZ1 LYS 73 1HZ LYS 73 14.946 7.243 -0.491 579 HZ2 LYS 73 2HZ LYS 73 14.735 5.566 -0.469 580 HZ3 LYS 73 3HZ LYS 73 13.402 6.582 -0.693 581 H VAL 74 H VAL 74 17.174 1.227 0.024 582 HA VAL 74 HA VAL 74 15.927 -0.593 1.709 583 HB VAL 74 HB VAL 74 18.155 1.341 2.358 584 HG11 VAL 74 1HG1 VAL 74 17.717 0.703 4.474 585 HG12 VAL 74 2HG1 VAL 74 16.793 -0.713 3.967 586 HG13 VAL 74 3HG1 VAL 74 18.556 -0.772 3.994 587 HG21 VAL 74 1HG2 VAL 74 19.658 -0.355 1.742 588 HG22 VAL 74 2HG2 VAL 74 18.396 -1.586 1.722 589 HG23 VAL 74 3HG2 VAL 74 18.440 -0.348 0.467 590 H GLN 75 H GLN 75 15.463 2.777 1.464 591 HA GLN 75 HA GLN 75 14.503 3.138 4.166 592 HB2 GLN 75 1HB GLN 75 14.614 4.916 1.739 593 HB3 GLN 75 2HB GLN 75 13.781 5.405 3.209 594 HG2 GLN 75 1HG GLN 75 16.009 4.868 4.384 595 HG3 GLN 75 2HG GLN 75 16.699 4.943 2.763 596 HE21 GLN 75 1HE2 GLN 75 15.683 6.961 1.532 597 HE22 GLN 75 2HE2 GLN 75 15.857 8.447 2.394 598 H ASP 76 H ASP 76 13.216 2.233 1.105 599 HA ASP 76 HA ASP 76 10.492 2.938 1.687 600 HB2 ASP 76 1HB ASP 76 11.783 1.269 -0.469 601 HB3 ASP 76 2HB ASP 76 10.036 1.460 -0.343 602 H SER 77 H SER 77 12.551 0.422 2.610 603 HA SER 77 HA SER 77 10.700 -1.719 2.767 604 HB2 SER 77 1HB SER 77 12.365 -2.875 4.003 605 HB3 SER 77 2HB SER 77 13.250 -1.857 2.868 606 HG SER 77 HG SER 77 13.983 -0.678 4.475 607 H GLY 78 H GLY 78 8.829 -1.366 3.829 608 HA2 GLY 78 1HA GLY 78 8.870 -1.234 6.680 609 HA3 GLY 78 2HA GLY 78 8.351 0.292 5.981 610 H GLU 79 H GLU 79 6.314 -0.045 7.037 611 HA GLU 79 HA GLU 79 4.634 -2.086 5.738 612 HB2 GLU 79 1HB GLU 79 4.700 -2.453 8.104 613 HB3 GLU 79 2HB GLU 79 4.395 -0.754 8.435 614 HG2 GLU 79 1HG GLU 79 2.170 -1.121 7.215 615 HG3 GLU 79 2HG GLU 79 2.499 -2.839 7.430 616 H PHE 80 H PHE 80 3.004 -1.448 4.480 617 HA PHE 80 HA PHE 80 2.375 1.422 4.399 618 HB2 PHE 80 1HB PHE 80 2.249 -0.750 2.320 619 HB3 PHE 80 2HB PHE 80 1.363 0.758 2.118 620 HD1 PHE 80 1HD PHE 80 4.686 -0.777 2.307 621 HD2 PHE 80 2HD PHE 80 2.500 2.813 1.637 622 HE1 PHE 80 1HE PHE 80 6.713 0.284 1.402 623 HE2 PHE 80 2HE PHE 80 4.523 3.880 0.730 624 HZ PHE 80 HZ PHE 80 6.633 2.615 0.612 625 H GLU 81 H GLU 81 0.221 2.123 4.296 626 HA GLU 81 HA GLU 81 -1.864 0.130 4.788 627 HB2 GLU 81 1HB GLU 81 -1.009 0.970 6.991 628 HB3 GLU 81 2HB GLU 81 -1.530 2.582 6.521 629 HG2 GLU 81 1HG GLU 81 -3.832 1.366 6.148 630 HG3 GLU 81 2HG GLU 81 -3.146 0.213 7.292 631 H CYS 82 H CYS 82 -3.723 0.573 3.764 632 HA CYS 82 HA CYS 82 -3.910 3.145 2.364 633 HB2 CYS 82 1HB CYS 82 -4.030 1.388 0.799 634 HB3 CYS 82 2HB CYS 82 -5.081 0.425 1.830 635 HG CYS 82 HG CYS 82 -5.953 3.216 0.057 636 H ARG 83 H ARG 83 -4.648 4.213 4.315 637 HA ARG 83 HA ARG 83 -6.964 3.487 5.722 638 HB2 ARG 83 1HB ARG 83 -5.417 5.088 6.652 639 HB3 ARG 83 2HB ARG 83 -5.678 6.188 5.305 640 HG2 ARG 83 1HG ARG 83 -8.153 6.150 6.102 641 HG3 ARG 83 2HG ARG 83 -7.457 5.572 7.617 642 HD2 ARG 83 1HD ARG 83 -6.265 7.969 6.311 643 HD3 ARG 83 2HD ARG 83 -7.801 8.144 7.158 644 HE ARG 83 HE ARG 83 -5.945 6.782 8.792 645 HH11 ARG 83 2HH1 ARG 83 -6.650 9.946 7.522 646 HH12 ARG 83 1HH1 ARG 83 -5.910 10.785 8.846 647 HH21 ARG 83 2HH2 ARG 83 -4.968 7.875 10.539 648 HH22 ARG 83 1HH2 ARG 83 -4.953 9.606 10.561 649 H THR 84 H THR 84 -9.103 4.042 5.518 650 HA THR 84 HA THR 84 -9.992 5.805 3.410 651 HB THR 84 HB THR 84 -9.628 3.621 2.240 652 HG1 THR 84 1HG THR 84 -12.402 4.088 2.282 653 HG21 THR 84 1HG2 THR 84 -11.281 2.695 4.469 654 HG22 THR 84 2HG2 THR 84 -10.191 1.792 3.416 655 HG23 THR 84 3HG2 THR 84 -11.840 2.135 2.893 656 H GLU 85 H GLU 85 -12.405 5.976 3.379 657 HA GLU 85 HA GLU 85 -13.388 6.404 5.978 658 HB2 GLU 85 1HB GLU 85 -14.110 7.394 3.649 659 HB3 GLU 85 2HB GLU 85 -15.252 6.058 3.664 660 HG2 GLU 85 1HG GLU 85 -16.212 8.149 4.519 661 HG3 GLU 85 2HG GLU 85 -16.232 6.850 5.711 662 H GLY 86 H GLY 86 -12.935 4.272 6.911 663 HA2 GLY 86 1HA GLY 86 -15.039 2.798 7.648 664 HA3 GLY 86 2HA GLY 86 -14.666 2.086 6.085 665 H VAL 87 H VAL 87 -12.356 1.377 5.800 666 HA VAL 87 HA VAL 87 -11.118 0.530 8.320 667 HB VAL 87 HB VAL 87 -10.785 -1.734 7.531 668 HG11 VAL 87 1HG1 VAL 87 -13.204 -0.659 8.345 669 HG12 VAL 87 2HG1 VAL 87 -13.629 -1.689 6.977 670 HG13 VAL 87 3HG1 VAL 87 -12.757 -2.365 8.353 671 HG21 VAL 87 1HG2 VAL 87 -12.623 -1.516 5.245 672 HG22 VAL 87 2HG2 VAL 87 -11.051 -0.746 5.025 673 HG23 VAL 87 3HG2 VAL 87 -11.145 -2.460 5.428 674 H SER 88 H SER 88 -8.985 -0.777 7.617 675 HA SER 88 HA SER 88 -7.675 0.564 5.376 676 HB2 SER 88 1HB SER 88 -6.158 0.467 7.947 677 HB3 SER 88 2HB SER 88 -6.015 1.597 6.600 678 HG SER 88 HG SER 88 -7.001 2.473 8.536 679 H ALA 89 H ALA 89 -5.841 -0.516 4.582 680 HA ALA 89 HA ALA 89 -5.686 -3.327 5.416 681 HB1 ALA 89 1HB ALA 89 -5.531 -1.949 2.850 682 HB2 ALA 89 2HB ALA 89 -4.262 -3.152 3.080 683 HB3 ALA 89 3HB ALA 89 -5.956 -3.621 3.217 684 H PHE 90 H PHE 90 -3.500 -4.357 5.187 685 HA PHE 90 HA PHE 90 -1.321 -2.511 5.876 686 HB2 PHE 90 1HB PHE 90 -2.201 -4.954 7.404 687 HB3 PHE 90 2HB PHE 90 -0.567 -4.311 7.543 688 HD1 PHE 90 1HD PHE 90 -4.134 -3.564 8.104 689 HD2 PHE 90 2HD PHE 90 -0.109 -2.396 8.846 690 HE1 PHE 90 1HE PHE 90 -4.915 -1.965 9.803 691 HE2 PHE 90 2HE PHE 90 -0.884 -0.796 10.547 692 HZ PHE 90 HZ PHE 90 -3.289 -0.579 11.029 693 H PHE 91 H PHE 91 0.583 -2.950 4.924 694 HA PHE 91 HA PHE 91 0.945 -5.577 3.660 695 HB2 PHE 91 1HB PHE 91 1.522 -2.913 2.346 696 HB3 PHE 91 2HB PHE 91 1.874 -4.495 1.657 697 HD1 PHE 91 1HD PHE 91 0.103 -5.900 0.795 698 HD2 PHE 91 2HD PHE 91 -0.733 -2.064 2.439 699 HE1 PHE 91 1HE PHE 91 -2.140 -5.959 -0.216 700 HE2 PHE 91 2HE PHE 91 -2.977 -2.118 1.431 701 HZ PHE 91 HZ PHE 91 -3.684 -4.067 0.103 702 H GLY 92 H GLY 92 2.971 -6.414 3.782 703 HA2 GLY 92 1HA GLY 92 4.963 -4.774 5.213 704 HA3 GLY 92 2HA GLY 92 4.857 -6.526 5.304 705 H VAL 93 H VAL 93 6.451 -3.953 3.897 706 HA VAL 93 HA VAL 93 7.476 -5.660 1.722 707 HB VAL 93 HB VAL 93 7.422 -2.641 1.838 708 HG11 VAL 93 1HG1 VAL 93 7.933 -3.765 -0.755 709 HG12 VAL 93 2HG1 VAL 93 8.898 -2.619 0.177 710 HG13 VAL 93 3HG1 VAL 93 9.120 -4.353 0.409 711 HG21 VAL 93 1HG2 VAL 93 5.264 -3.039 1.275 712 HG22 VAL 93 2HG2 VAL 93 5.968 -3.264 -0.327 713 HG23 VAL 93 3HG2 VAL 93 5.603 -4.664 0.680 714 H THR 94 H THR 94 9.576 -6.164 1.733 715 HA THR 94 HA THR 94 11.371 -4.644 3.507 716 HB THR 94 HB THR 94 11.257 -7.643 3.154 717 HG1 THR 94 1HG THR 94 11.031 -6.017 5.487 718 HG21 THR 94 1HG2 THR 94 13.444 -7.696 3.585 719 HG22 THR 94 2HG2 THR 94 13.108 -6.962 5.153 720 HG23 THR 94 3HG2 THR 94 13.495 -5.943 3.767 721 H VAL 95 H VAL 95 12.975 -3.740 2.413 722 HA VAL 95 HA VAL 95 13.767 -4.900 -0.168 723 HB VAL 95 HB VAL 95 14.484 -2.159 0.863 724 HG11 VAL 95 1HG1 VAL 95 15.917 -2.616 -0.890 725 HG12 VAL 95 2HG1 VAL 95 14.720 -3.582 -1.755 726 HG13 VAL 95 3HG1 VAL 95 14.574 -1.824 -1.715 727 HG21 VAL 95 1HG2 VAL 95 11.981 -3.158 -0.352 728 HG22 VAL 95 2HG2 VAL 95 12.249 -1.801 0.743 729 HG23 VAL 95 3HG2 VAL 95 12.609 -1.632 -0.975 730 H GLN 96 H GLN 96 15.365 -6.334 0.157 731 HA GLN 96 HA GLN 96 17.518 -5.677 2.029 732 HB2 GLN 96 1HB GLN 96 16.798 -8.250 0.622 733 HB3 GLN 96 2HB GLN 96 18.214 -8.056 1.646 734 HG2 GLN 96 1HG GLN 96 16.752 -7.508 3.539 735 HG3 GLN 96 2HG GLN 96 15.345 -7.758 2.506 736 HE21 GLN 96 1HE2 GLN 96 15.430 -9.952 1.331 737 HE22 GLN 96 2HE2 GLN 96 15.823 -11.309 2.325 738 H ASP 97 H ASP 97 19.211 -4.643 1.224 739 HA ASP 97 HA ASP 97 19.775 -4.299 -1.489 740 HB2 ASP 97 1HB ASP 97 22.012 -3.502 -0.708 741 HB3 ASP 97 2HB ASP 97 20.659 -2.758 0.140 742 HA PRO 98 HA PRO 98 21.629 -8.132 -2.637 743 HB2 PRO 98 1HB PRO 98 22.872 -7.295 -4.901 744 HB3 PRO 98 2HB PRO 98 21.125 -7.545 -4.800 745 HG2 PRO 98 1HG PRO 98 22.688 -4.999 -4.612 746 HG3 PRO 98 2HG PRO 98 21.178 -5.322 -5.483 747 HD2 PRO 98 1HD PRO 98 21.235 -4.077 -3.079 748 HD3 PRO 98 2HD PRO 98 19.891 -5.122 -3.581 749 H SER 99 H SER 99 23.887 -8.843 -3.537 750 HA SER 99 HA SER 99 26.081 -7.286 -2.419 751 HB2 SER 99 1HB SER 99 26.899 -9.018 -0.993 752 HB3 SER 99 2HB SER 99 25.188 -8.825 -0.609 753 HG SER 99 HG SER 99 25.559 -10.995 -0.830 754 H GLY 100 H GLY 100 27.920 -7.485 -3.570 755 HA2 GLY 100 1HA GLY 100 29.506 -8.628 -4.905 756 HA3 GLY 100 2HA GLY 100 28.270 -9.806 -5.322 757 HA PRO 101 HA PRO 101 28.884 -6.545 -8.708 758 HB2 PRO 101 1HB PRO 101 30.058 -8.159 -10.549 759 HB3 PRO 101 2HB PRO 101 30.978 -7.227 -9.363 760 HG2 PRO 101 1HG PRO 101 30.198 -10.116 -9.309 761 HG3 PRO 101 2HG PRO 101 31.748 -9.368 -8.882 762 HD2 PRO 101 1HD PRO 101 29.935 -10.129 -7.020 763 HD3 PRO 101 2HD PRO 101 31.009 -8.733 -6.793 764 H SER 102 H SER 102 27.060 -6.271 -9.814 765 HA SER 102 HA SER 102 26.008 -8.155 -11.624 766 HB2 SER 102 1HB SER 102 23.977 -8.840 -10.531 767 HB3 SER 102 2HB SER 102 25.319 -9.235 -9.458 768 HG SER 102 HG SER 102 23.212 -7.626 -9.012 769 H SER 103 H SER 103 24.945 -7.042 -13.126 770 HA SER 103 HA SER 103 23.888 -4.391 -12.393 771 HB2 SER 103 1HB SER 103 24.299 -3.716 -14.710 772 HB3 SER 103 2HB SER 103 25.782 -4.328 -13.979 773 HG SER 103 HG SER 103 24.484 -5.214 -16.154 774 H GLY 104 H GLY 104 21.843 -5.236 -11.795 775 HA2 GLY 104 1HA GLY 104 20.270 -6.842 -13.535 776 HA3 GLY 104 2HA GLY 104 19.682 -5.942 -12.145 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -31.801 -4.149 -6.597 2 HA2 GLY 1 1HA GLY 1 -31.828 -4.176 -4.207 3 HA3 GLY 1 2HA GLY 1 -30.129 -4.251 -4.649 4 H SER 2 H SER 2 -32.731 -2.103 -3.642 5 HA SER 2 HA SER 2 -30.741 -0.063 -2.927 6 HB2 SER 2 1HB SER 2 -32.698 1.461 -2.710 7 HB3 SER 2 2HB SER 2 -32.547 0.770 -4.326 8 HG SER 2 HG SER 2 -34.472 0.326 -2.366 9 H SER 3 H SER 3 -29.971 -0.926 -1.009 10 HA SER 3 HA SER 3 -31.830 -0.728 1.247 11 HB2 SER 3 1HB SER 3 -31.228 -2.803 2.184 12 HB3 SER 3 2HB SER 3 -31.454 -3.158 0.471 13 HG SER 3 HG SER 3 -29.205 -3.063 0.211 14 H GLY 4 H GLY 4 -30.463 -0.968 3.379 15 HA2 GLY 4 1HA GLY 4 -27.982 0.597 3.016 16 HA3 GLY 4 2HA GLY 4 -29.141 0.950 4.289 17 H SER 5 H SER 5 -27.009 -1.612 3.069 18 HA SER 5 HA SER 5 -27.093 -3.174 5.430 19 HB2 SER 5 1HB SER 5 -25.378 -3.102 2.986 20 HB3 SER 5 2HB SER 5 -24.800 -4.006 4.385 21 HG SER 5 HG SER 5 -26.666 -4.698 2.590 22 H SER 6 H SER 6 -25.317 -3.551 6.919 23 HA SER 6 HA SER 6 -24.333 -1.125 8.021 24 HB2 SER 6 1HB SER 6 -24.857 -2.966 9.494 25 HB3 SER 6 2HB SER 6 -23.705 -4.015 8.666 26 HG SER 6 HG SER 6 -23.226 -1.865 10.410 27 H GLY 7 H GLY 7 -22.209 -0.372 8.205 28 HA2 GLY 7 1HA GLY 7 -19.965 -0.157 7.666 29 HA3 GLY 7 2HA GLY 7 -20.042 -1.720 6.865 30 HA PRO 8 HA PRO 8 -20.816 2.074 3.907 31 HB2 PRO 8 1HB PRO 8 -18.547 3.564 3.955 32 HB3 PRO 8 2HB PRO 8 -19.946 3.912 4.978 33 HG2 PRO 8 1HG PRO 8 -17.410 2.475 5.662 34 HG3 PRO 8 2HG PRO 8 -18.301 3.684 6.606 35 HD2 PRO 8 1HD PRO 8 -18.476 1.028 7.104 36 HD3 PRO 8 2HD PRO 8 -19.833 2.141 7.371 37 H VAL 9 H VAL 9 -17.488 0.936 4.530 38 HA VAL 9 HA VAL 9 -17.449 -0.561 2.075 39 HB VAL 9 HB VAL 9 -16.960 1.625 1.149 40 HG11 VAL 9 1HG1 VAL 9 -14.423 1.913 2.650 41 HG12 VAL 9 2HG1 VAL 9 -15.509 3.147 2.009 42 HG13 VAL 9 3HG1 VAL 9 -15.916 2.304 3.504 43 HG21 VAL 9 1HG2 VAL 9 -14.913 -0.497 1.225 44 HG22 VAL 9 2HG2 VAL 9 -15.760 0.214 -0.149 45 HG23 VAL 9 3HG2 VAL 9 -14.393 1.059 0.578 46 H HIS 10 H HIS 10 -16.242 -2.311 2.392 47 HA HIS 10 HA HIS 10 -14.120 -2.194 4.434 48 HB2 HIS 10 1HB HIS 10 -14.607 -4.665 4.758 49 HB3 HIS 10 2HB HIS 10 -15.844 -3.555 5.340 50 HD1 HIS 10 1HD HIS 10 -17.845 -3.156 3.439 51 HD2 HIS 10 2HD HIS 10 -15.623 -6.661 3.253 52 HE1 HIS 10 1HE HIS 10 -19.227 -4.756 2.078 53 HE2 HIS 10 2HE HIS 10 -17.901 -6.898 2.051 54 H ILE 11 H ILE 11 -12.355 -3.746 4.128 55 HA ILE 11 HA ILE 11 -11.548 -3.809 1.347 56 HB ILE 11 HB ILE 11 -10.086 -4.610 3.864 57 HG12 ILE 11 1HG1 ILE 11 -9.476 -2.307 2.020 58 HG13 ILE 11 2HG1 ILE 11 -10.612 -2.146 3.354 59 HG21 ILE 11 1HG2 ILE 11 -9.052 -5.942 2.292 60 HG22 ILE 11 2HG2 ILE 11 -9.328 -4.794 0.983 61 HG23 ILE 11 3HG2 ILE 11 -8.090 -4.467 2.195 62 HD11 ILE 11 1HD1 ILE 11 -8.721 -1.422 4.372 63 HD12 ILE 11 2HD1 ILE 11 -8.583 -3.147 4.718 64 HD13 ILE 11 3HD1 ILE 11 -7.667 -2.437 3.388 65 H LEU 12 H LEU 12 -11.122 -5.623 0.132 66 HA LEU 12 HA LEU 12 -12.186 -8.146 1.213 67 HB2 LEU 12 1HB LEU 12 -11.825 -7.607 -1.706 68 HB3 LEU 12 2HB LEU 12 -12.926 -8.729 -0.909 69 HG LEU 12 HG LEU 12 -13.222 -5.727 -0.878 70 HD11 LEU 12 1HD1 LEU 12 -15.194 -6.274 -2.383 71 HD12 LEU 12 2HD1 LEU 12 -14.425 -7.840 -2.640 72 HD13 LEU 12 3HD1 LEU 12 -13.589 -6.360 -3.109 73 HD21 LEU 12 1HD2 LEU 12 -14.808 -8.006 0.234 74 HD22 LEU 12 2HD2 LEU 12 -15.609 -6.506 -0.233 75 HD23 LEU 12 3HD2 LEU 12 -14.345 -6.486 0.998 76 H SER 13 H SER 13 -9.505 -6.648 -0.470 77 HA SER 13 HA SER 13 -7.843 -8.951 0.175 78 HB2 SER 13 1HB SER 13 -6.995 -9.253 -2.046 79 HB3 SER 13 2HB SER 13 -8.754 -9.289 -2.159 80 HG SER 13 HG SER 13 -7.020 -7.143 -2.809 81 HA PRO 14 HA PRO 14 -5.864 -9.558 0.305 82 HB2 PRO 14 1HB PRO 14 -4.331 -9.397 2.539 83 HB3 PRO 14 2HB PRO 14 -3.671 -9.234 0.908 84 HG2 PRO 14 1HG PRO 14 -4.392 -7.101 2.881 85 HG3 PRO 14 2HG PRO 14 -2.966 -7.220 1.833 86 HD2 PRO 14 1HD PRO 14 -5.085 -5.644 1.236 87 HD3 PRO 14 2HD PRO 14 -4.101 -6.434 -0.013 88 H GLN 15 H GLN 15 -5.904 -10.767 2.641 89 HA GLN 15 HA GLN 15 -8.429 -9.890 3.857 90 HB2 GLN 15 1HB GLN 15 -7.097 -12.588 3.673 91 HB3 GLN 15 2HB GLN 15 -8.460 -12.281 4.741 92 HG2 GLN 15 1HG GLN 15 -9.872 -11.743 2.880 93 HG3 GLN 15 2HG GLN 15 -8.510 -11.846 1.765 94 HE21 GLN 15 1HE2 GLN 15 -11.096 -13.321 1.957 95 HE22 GLN 15 2HE2 GLN 15 -10.654 -14.991 1.950 96 H ASP 16 H ASP 16 -5.121 -10.810 4.580 97 HA ASP 16 HA ASP 16 -5.377 -9.555 7.198 98 HB2 ASP 16 1HB ASP 16 -4.278 -12.354 6.858 99 HB3 ASP 16 2HB ASP 16 -4.306 -11.429 8.357 100 H LYS 17 H LYS 17 -3.253 -9.186 8.224 101 HA LYS 17 HA LYS 17 -1.497 -7.753 6.822 102 HB2 LYS 17 1HB LYS 17 -1.235 -7.962 9.195 103 HB3 LYS 17 2HB LYS 17 -0.859 -9.674 9.062 104 HG2 LYS 17 1HG LYS 17 1.290 -9.298 8.415 105 HG3 LYS 17 2HG LYS 17 0.906 -7.757 7.643 106 HD2 LYS 17 1HD LYS 17 0.592 -6.761 9.890 107 HD3 LYS 17 2HD LYS 17 1.096 -8.293 10.608 108 HE2 LYS 17 1HE LYS 17 3.196 -7.981 9.089 109 HE3 LYS 17 2HE LYS 17 2.702 -6.289 9.080 110 HZ1 LYS 17 1HZ LYS 17 2.764 -7.550 11.688 111 HZ2 LYS 17 2HZ LYS 17 3.296 -6.016 11.213 112 HZ3 LYS 17 3HZ LYS 17 4.273 -7.370 10.943 113 H VAL 18 H VAL 18 -0.050 -8.002 5.240 114 HA VAL 18 HA VAL 18 0.615 -10.745 4.406 115 HB VAL 18 HB VAL 18 1.016 -9.892 2.188 116 HG11 VAL 18 1HG1 VAL 18 -1.554 -8.660 3.163 117 HG12 VAL 18 2HG1 VAL 18 -1.203 -9.301 1.556 118 HG13 VAL 18 3HG1 VAL 18 -1.328 -10.394 2.936 119 HG21 VAL 18 1HG2 VAL 18 0.052 -7.182 2.563 120 HG22 VAL 18 2HG2 VAL 18 1.541 -7.488 3.457 121 HG23 VAL 18 3HG2 VAL 18 1.486 -7.763 1.716 122 H SER 19 H SER 19 2.781 -10.855 3.202 123 HA SER 19 HA SER 19 4.813 -9.086 4.319 124 HB2 SER 19 1HB SER 19 6.176 -10.959 5.138 125 HB3 SER 19 2HB SER 19 4.618 -10.908 5.963 126 HG SER 19 HG SER 19 5.306 -12.597 3.785 127 H LEU 20 H LEU 20 5.899 -8.415 2.598 128 HA LEU 20 HA LEU 20 6.622 -10.392 0.537 129 HB2 LEU 20 1HB LEU 20 6.096 -7.483 -0.010 130 HB3 LEU 20 2HB LEU 20 6.318 -8.782 -1.180 131 HG LEU 20 HG LEU 20 3.990 -8.848 0.697 132 HD11 LEU 20 1HD1 LEU 20 4.421 -6.976 -1.557 133 HD12 LEU 20 2HD1 LEU 20 3.456 -6.790 -0.093 134 HD13 LEU 20 3HD1 LEU 20 2.842 -7.753 -1.436 135 HD21 LEU 20 1HD2 LEU 20 3.117 -9.764 -1.660 136 HD22 LEU 20 2HD2 LEU 20 3.919 -10.787 -0.469 137 HD23 LEU 20 3HD2 LEU 20 4.833 -10.133 -1.828 138 H THR 21 H THR 21 8.645 -10.128 -0.463 139 HA THR 21 HA THR 21 10.461 -8.203 0.827 140 HB THR 21 HB THR 21 11.131 -11.085 0.198 141 HG1 THR 21 1HG THR 21 9.789 -10.642 2.114 142 HG21 THR 21 1HG2 THR 21 13.245 -10.364 0.165 143 HG22 THR 21 2HG2 THR 21 13.062 -9.994 1.880 144 HG23 THR 21 3HG2 THR 21 12.767 -8.744 0.672 145 H PHE 22 H PHE 22 12.077 -7.345 -0.455 146 HA PHE 22 HA PHE 22 12.337 -8.262 -3.208 147 HB2 PHE 22 1HB PHE 22 11.532 -5.434 -2.494 148 HB3 PHE 22 2HB PHE 22 12.015 -5.969 -4.100 149 HD1 PHE 22 2HD PHE 22 10.556 -7.369 -5.437 150 HD2 PHE 22 1HD PHE 22 9.384 -6.019 -1.574 151 HE1 PHE 22 2HE PHE 22 8.227 -7.993 -5.929 152 HE2 PHE 22 1HE PHE 22 7.054 -6.641 -2.060 153 HZ PHE 22 HZ PHE 22 6.472 -7.628 -4.240 154 H THR 23 H THR 23 14.076 -6.952 -4.362 155 HA THR 23 HA THR 23 16.278 -6.505 -2.466 156 HB THR 23 HB THR 23 16.446 -7.075 -5.432 157 HG1 THR 23 1HG THR 23 16.634 -9.150 -4.902 158 HG21 THR 23 1HG2 THR 23 18.574 -7.011 -3.288 159 HG22 THR 23 2HG2 THR 23 18.367 -5.829 -4.581 160 HG23 THR 23 3HG2 THR 23 18.823 -7.488 -4.967 161 H THR 24 H THR 24 17.743 -4.761 -2.814 162 HA THR 24 HA THR 24 16.573 -2.289 -3.263 163 HB THR 24 HB THR 24 19.503 -3.004 -3.498 164 HG1 THR 24 1HG THR 24 18.921 -1.725 -1.251 165 HG21 THR 24 1HG2 THR 24 19.364 -0.881 -4.446 166 HG22 THR 24 2HG2 THR 24 19.687 -0.531 -2.748 167 HG23 THR 24 3HG2 THR 24 18.048 -0.385 -3.382 168 H SER 25 H SER 25 16.655 -0.796 -4.955 169 HA SER 25 HA SER 25 16.547 -0.094 -7.116 170 HB2 SER 25 1HB SER 25 18.394 -0.489 -8.479 171 HB3 SER 25 2HB SER 25 19.052 -0.804 -6.873 172 HG SER 25 HG SER 25 19.490 -2.425 -8.555 173 H GLU 26 H GLU 26 14.577 -1.815 -6.442 174 HA GLU 26 HA GLU 26 14.199 -3.340 -8.927 175 HB2 GLU 26 1HB GLU 26 13.591 -4.254 -6.116 176 HB3 GLU 26 2HB GLU 26 12.909 -5.023 -7.543 177 HG2 GLU 26 1HG GLU 26 15.857 -4.695 -7.394 178 HG3 GLU 26 2HG GLU 26 15.094 -5.928 -6.391 179 H ARG 27 H ARG 27 11.822 -3.921 -9.223 180 HA ARG 27 HA ARG 27 10.248 -1.517 -8.659 181 HB2 ARG 27 1HB ARG 27 10.581 -2.451 -11.021 182 HB3 ARG 27 2HB ARG 27 9.490 -3.744 -10.541 183 HG2 ARG 27 1HG ARG 27 7.858 -1.877 -9.910 184 HG3 ARG 27 2HG ARG 27 8.912 -0.823 -10.854 185 HD2 ARG 27 1HD ARG 27 8.582 -2.186 -12.819 186 HD3 ARG 27 2HD ARG 27 7.642 -3.353 -11.890 187 HE ARG 27 HE ARG 27 6.564 -0.689 -11.830 188 HH11 ARG 27 2HH1 ARG 27 6.662 -3.702 -13.573 189 HH12 ARG 27 1HH1 ARG 27 5.133 -3.453 -14.348 190 HH21 ARG 27 2HH2 ARG 27 4.549 -0.351 -12.845 191 HH22 ARG 27 1HH2 ARG 27 3.932 -1.546 -13.935 192 H VAL 28 H VAL 28 8.880 -1.571 -7.014 193 HA VAL 28 HA VAL 28 7.681 -4.155 -6.256 194 HB VAL 28 HB VAL 28 8.196 -1.744 -4.509 195 HG11 VAL 28 1HG1 VAL 28 6.252 -2.739 -3.661 196 HG12 VAL 28 2HG1 VAL 28 6.837 -4.371 -3.990 197 HG13 VAL 28 3HG1 VAL 28 7.556 -3.420 -2.689 198 HG21 VAL 28 1HG2 VAL 28 10.245 -2.925 -5.041 199 HG22 VAL 28 2HG2 VAL 28 9.801 -3.220 -3.360 200 HG23 VAL 28 3HG2 VAL 28 9.509 -4.460 -4.580 201 H VAL 29 H VAL 29 5.541 -4.356 -6.389 202 HA VAL 29 HA VAL 29 3.878 -1.934 -6.413 203 HB VAL 29 HB VAL 29 3.478 -4.229 -8.333 204 HG11 VAL 29 1HG1 VAL 29 1.936 -1.843 -7.597 205 HG12 VAL 29 2HG1 VAL 29 2.126 -2.097 -9.333 206 HG13 VAL 29 3HG1 VAL 29 1.407 -3.357 -8.329 207 HG21 VAL 29 1HG2 VAL 29 5.445 -3.161 -9.073 208 HG22 VAL 29 2HG2 VAL 29 4.146 -2.487 -10.057 209 HG23 VAL 29 3HG2 VAL 29 4.806 -1.558 -8.712 210 H LEU 30 H LEU 30 2.398 -2.080 -4.874 211 HA LEU 30 HA LEU 30 1.730 -4.648 -3.712 212 HB2 LEU 30 1HB LEU 30 0.820 -1.859 -3.020 213 HB3 LEU 30 2HB LEU 30 0.436 -3.309 -2.096 214 HG LEU 30 HG LEU 30 3.233 -2.267 -2.522 215 HD11 LEU 30 1HD1 LEU 30 2.425 -0.612 -1.181 216 HD12 LEU 30 2HD1 LEU 30 2.839 -1.807 0.048 217 HD13 LEU 30 3HD1 LEU 30 1.167 -1.634 -0.485 218 HD21 LEU 30 1HD2 LEU 30 3.707 -4.355 -1.858 219 HD22 LEU 30 2HD2 LEU 30 2.068 -4.650 -1.279 220 HD23 LEU 30 3HD2 LEU 30 3.221 -3.786 -0.261 221 H THR 31 H THR 31 -0.804 -4.545 -2.945 222 HA THR 31 HA THR 31 -2.564 -3.782 -5.103 223 HB THR 31 HB THR 31 -2.327 -6.719 -4.433 224 HG1 THR 31 1HG THR 31 -1.116 -6.937 -6.214 225 HG21 THR 31 1HG2 THR 31 -4.207 -5.080 -5.994 226 HG22 THR 31 2HG2 THR 31 -4.433 -6.659 -5.242 227 HG23 THR 31 3HG2 THR 31 -3.632 -6.534 -6.808 228 H CYS 32 H CYS 32 -4.617 -3.472 -4.409 229 HA CYS 32 HA CYS 32 -5.572 -4.731 -1.981 230 HB2 CYS 32 1HB CYS 32 -4.321 -2.734 -1.181 231 HB3 CYS 32 2HB CYS 32 -5.378 -1.717 -2.154 232 HG CYS 32 HG CYS 32 -5.997 -3.266 0.777 233 H GLU 33 H GLU 33 -7.811 -4.703 -1.777 234 HA GLU 33 HA GLU 33 -9.269 -3.518 -4.048 235 HB2 GLU 33 1HB GLU 33 -9.136 -5.951 -4.278 236 HB3 GLU 33 2HB GLU 33 -9.812 -6.152 -2.668 237 HG2 GLU 33 1HG GLU 33 -11.917 -5.292 -3.352 238 HG3 GLU 33 2HG GLU 33 -11.266 -4.771 -4.905 239 H LEU 34 H LEU 34 -11.494 -2.949 -3.637 240 HA LEU 34 HA LEU 34 -12.162 -2.593 -0.798 241 HB2 LEU 34 1HB LEU 34 -12.140 -0.504 -2.955 242 HB3 LEU 34 2HB LEU 34 -13.117 -0.331 -1.499 243 HG LEU 34 HG LEU 34 -10.119 -0.656 -1.493 244 HD11 LEU 34 1HD1 LEU 34 -9.976 1.467 -2.116 245 HD12 LEU 34 2HD1 LEU 34 -10.832 1.912 -0.640 246 HD13 LEU 34 3HD1 LEU 34 -11.732 1.634 -2.130 247 HD21 LEU 34 1HD2 LEU 34 -10.470 0.334 0.826 248 HD22 LEU 34 2HD2 LEU 34 -10.960 -1.344 0.589 249 HD23 LEU 34 3HD2 LEU 34 -12.176 -0.066 0.617 250 H SER 35 H SER 35 -14.522 -1.735 -0.641 251 HA SER 35 HA SER 35 -16.150 -3.414 -2.423 252 HB2 SER 35 1HB SER 35 -16.350 -2.659 0.449 253 HB3 SER 35 2HB SER 35 -17.860 -2.877 -0.435 254 HG SER 35 HG SER 35 -16.890 -4.796 0.619 255 H ARG 36 H ARG 36 -15.190 -0.630 -2.924 256 HA ARG 36 HA ARG 36 -17.743 0.440 -3.779 257 HB2 ARG 36 1HB ARG 36 -15.968 1.847 -1.795 258 HB3 ARG 36 2HB ARG 36 -17.080 2.731 -2.832 259 HG2 ARG 36 1HG ARG 36 -18.842 1.055 -1.877 260 HG3 ARG 36 2HG ARG 36 -17.660 0.874 -0.579 261 HD2 ARG 36 1HD ARG 36 -19.111 2.579 0.138 262 HD3 ARG 36 2HD ARG 36 -17.662 3.410 -0.429 263 HE ARG 36 HE ARG 36 -18.957 4.449 -1.986 264 HH11 ARG 36 2HH1 ARG 36 -20.554 1.513 -1.012 265 HH12 ARG 36 1HH1 ARG 36 -21.970 1.813 -1.964 266 HH21 ARG 36 2HH2 ARG 36 -20.816 4.856 -3.243 267 HH22 ARG 36 1HH2 ARG 36 -22.118 3.715 -3.234 268 H VAL 37 H VAL 37 -17.573 1.418 -5.707 269 HA VAL 37 HA VAL 37 -14.974 1.540 -6.964 270 HB VAL 37 HB VAL 37 -17.703 2.247 -8.051 271 HG11 VAL 37 1HG1 VAL 37 -15.846 3.399 -9.205 272 HG12 VAL 37 2HG1 VAL 37 -15.112 1.828 -9.538 273 HG13 VAL 37 3HG1 VAL 37 -16.679 2.237 -10.238 274 HG21 VAL 37 1HG2 VAL 37 -16.175 -0.146 -8.923 275 HG22 VAL 37 2HG2 VAL 37 -16.974 -0.204 -7.351 276 HG23 VAL 37 3HG2 VAL 37 -17.917 0.105 -8.809 277 H ASP 38 H ASP 38 -14.041 3.390 -7.903 278 HA ASP 38 HA ASP 38 -13.246 5.528 -7.731 279 HB2 ASP 38 1HB ASP 38 -16.208 6.102 -7.956 280 HB3 ASP 38 2HB ASP 38 -14.921 7.268 -8.251 281 H PHE 39 H PHE 39 -13.327 4.403 -5.255 282 HA PHE 39 HA PHE 39 -14.550 6.393 -3.485 283 HB2 PHE 39 1HB PHE 39 -14.805 3.838 -3.169 284 HB3 PHE 39 2HB PHE 39 -13.152 3.893 -2.568 285 HD1 PHE 39 2HD PHE 39 -16.606 4.988 -1.962 286 HD2 PHE 39 1HD PHE 39 -12.642 4.797 -0.424 287 HE1 PHE 39 2HE PHE 39 -17.442 5.624 0.263 288 HE2 PHE 39 1HE PHE 39 -13.472 5.432 1.804 289 HZ PHE 39 HZ PHE 39 -15.875 5.847 2.149 290 HA PRO 40 HA PRO 40 -10.672 8.378 -2.812 291 HB2 PRO 40 1HB PRO 40 -11.270 9.634 -0.481 292 HB3 PRO 40 2HB PRO 40 -11.899 10.163 -2.046 293 HG2 PRO 40 1HG PRO 40 -13.227 8.511 0.068 294 HG3 PRO 40 2HG PRO 40 -13.894 9.842 -0.895 295 HD2 PRO 40 1HD PRO 40 -14.375 7.241 -1.474 296 HD3 PRO 40 2HD PRO 40 -14.271 8.494 -2.727 297 H ALA 41 H ALA 41 -8.792 8.068 -1.680 298 HA ALA 41 HA ALA 41 -8.705 6.821 0.890 299 HB1 ALA 41 1HB ALA 41 -8.001 5.182 -1.533 300 HB2 ALA 41 2HB ALA 41 -7.429 4.798 0.091 301 HB3 ALA 41 3HB ALA 41 -9.158 4.799 -0.258 302 H THR 42 H THR 42 -6.437 6.405 1.589 303 HA THR 42 HA THR 42 -4.384 7.765 0.032 304 HB THR 42 HB THR 42 -5.128 8.650 2.827 305 HG1 THR 42 1HG THR 42 -5.731 9.566 0.314 306 HG21 THR 42 1HG2 THR 42 -3.251 10.406 1.762 307 HG22 THR 42 2HG2 THR 42 -2.637 8.803 1.354 308 HG23 THR 42 3HG2 THR 42 -2.977 9.216 3.034 309 H TRP 43 H TRP 43 -2.308 7.108 0.505 310 HA TRP 43 HA TRP 43 -2.118 4.714 2.161 311 HB2 TRP 43 1HB TRP 43 -0.213 5.951 0.165 312 HB3 TRP 43 2HB TRP 43 0.149 4.501 1.098 313 HD1 TRP 43 HD TRP 43 -2.446 5.721 -1.510 314 HE1 TRP 43 1HE TRP 43 -3.197 3.685 -2.894 315 HE3 TRP 43 3HE TRP 43 0.109 2.060 0.981 316 HZ2 TRP 43 2HZ TRP 43 -2.764 0.896 -2.924 317 HZ3 TRP 43 3HZ TRP 43 -0.114 -0.266 0.212 318 HH2 TRP 43 HH TRP 43 -1.521 -0.834 -1.701 319 H TYR 44 H TYR 44 -0.420 4.426 3.702 320 HA TYR 44 HA TYR 44 0.949 6.830 4.629 321 HB2 TYR 44 1HB TYR 44 -0.922 5.192 6.347 322 HB3 TYR 44 2HB TYR 44 0.228 6.361 6.986 323 HD1 TYR 44 1HD TYR 44 -2.807 5.974 4.915 324 HD2 TYR 44 2HD TYR 44 -0.231 8.695 6.931 325 HE1 TYR 44 1HE TYR 44 -4.464 7.764 4.603 326 HE2 TYR 44 2HE TYR 44 -1.882 10.492 6.625 327 HH TYR 44 HH TYR 44 -4.940 9.907 4.912 328 H LYS 45 H LYS 45 2.935 6.425 5.421 329 HA LYS 45 HA LYS 45 3.681 3.601 5.816 330 HB2 LYS 45 1HB LYS 45 4.678 4.879 3.829 331 HB3 LYS 45 2HB LYS 45 5.593 5.789 5.023 332 HG2 LYS 45 1HG LYS 45 6.408 3.523 5.869 333 HG3 LYS 45 2HG LYS 45 5.767 2.872 4.358 334 HD2 LYS 45 1HD LYS 45 7.339 3.939 3.074 335 HD3 LYS 45 2HD LYS 45 7.551 5.253 4.233 336 HE2 LYS 45 1HE LYS 45 8.374 2.501 5.020 337 HE3 LYS 45 2HE LYS 45 9.398 3.401 3.903 338 HZ1 LYS 45 1HZ LYS 45 8.492 4.563 6.467 339 HZ2 LYS 45 2HZ LYS 45 9.773 5.063 5.482 340 HZ3 LYS 45 3HZ LYS 45 9.896 3.624 6.362 341 H ASP 46 H ASP 46 4.424 3.041 7.757 342 HA ASP 46 HA ASP 46 5.001 3.193 9.957 343 HB2 ASP 46 1HB ASP 46 7.105 3.970 8.663 344 HB3 ASP 46 2HB ASP 46 6.676 5.582 9.228 345 H GLY 47 H GLY 47 2.603 4.486 9.348 346 HA2 GLY 47 1HA GLY 47 1.082 5.903 10.322 347 HA3 GLY 47 2HA GLY 47 2.222 6.060 11.650 348 H GLN 48 H GLN 48 2.718 6.967 8.269 349 HA GLN 48 HA GLN 48 2.472 9.789 8.920 350 HB2 GLN 48 1HB GLN 48 5.059 8.604 7.897 351 HB3 GLN 48 2HB GLN 48 4.720 10.323 8.055 352 HG2 GLN 48 1HG GLN 48 4.323 9.847 10.525 353 HG3 GLN 48 2HG GLN 48 5.082 8.285 10.222 354 HE21 GLN 48 1HE2 GLN 48 7.221 8.462 9.024 355 HE22 GLN 48 2HE2 GLN 48 8.303 9.691 9.574 356 H LYS 49 H LYS 49 1.351 10.680 7.332 357 HA LYS 49 HA LYS 49 0.419 9.604 5.061 358 HB2 LYS 49 1HB LYS 49 -0.072 11.909 5.940 359 HB3 LYS 49 2HB LYS 49 1.410 12.456 5.166 360 HG2 LYS 49 1HG LYS 49 0.356 11.437 3.022 361 HG3 LYS 49 2HG LYS 49 -1.154 11.562 3.928 362 HD2 LYS 49 1HD LYS 49 -1.105 13.860 3.955 363 HD3 LYS 49 2HD LYS 49 0.654 13.930 3.818 364 HE2 LYS 49 1HE LYS 49 -0.233 14.690 1.750 365 HE3 LYS 49 2HE LYS 49 0.400 13.069 1.471 366 HZ1 LYS 49 1HZ LYS 49 -2.446 13.822 1.847 367 HZ2 LYS 49 2HZ LYS 49 -1.890 12.228 1.745 368 HZ3 LYS 49 3HZ LYS 49 -1.723 13.268 0.421 369 H VAL 50 H VAL 50 1.026 9.301 2.941 370 HA VAL 50 HA VAL 50 3.890 9.140 2.478 371 HB VAL 50 HB VAL 50 3.311 7.946 0.425 372 HG11 VAL 50 1HG1 VAL 50 2.309 5.983 1.431 373 HG12 VAL 50 2HG1 VAL 50 3.440 6.727 2.563 374 HG13 VAL 50 3HG1 VAL 50 1.703 6.950 2.774 375 HG21 VAL 50 1HG2 VAL 50 1.323 8.076 -0.574 376 HG22 VAL 50 2HG2 VAL 50 0.466 7.683 0.916 377 HG23 VAL 50 3HG2 VAL 50 0.928 9.351 0.577 378 H GLU 51 H GLU 51 4.989 10.152 0.794 379 HA GLU 51 HA GLU 51 3.741 12.630 -0.131 380 HB2 GLU 51 1HB GLU 51 6.545 11.703 0.267 381 HB3 GLU 51 2HB GLU 51 6.251 12.926 -0.960 382 HG2 GLU 51 1HG GLU 51 5.119 14.304 0.770 383 HG3 GLU 51 2HG GLU 51 5.609 13.110 1.972 384 H GLU 52 H GLU 52 2.560 12.213 -1.919 385 HA GLU 52 HA GLU 52 3.120 10.307 -3.881 386 HB2 GLU 52 1HB GLU 52 1.407 12.750 -3.762 387 HB3 GLU 52 2HB GLU 52 1.674 11.987 -5.323 388 HG2 GLU 52 1HG GLU 52 0.576 10.046 -4.712 389 HG3 GLU 52 2HG GLU 52 0.773 10.358 -2.989 390 H SER 53 H SER 53 4.829 10.203 -5.166 391 HA SER 53 HA SER 53 5.594 12.435 -6.802 392 HB2 SER 53 1HB SER 53 7.758 12.846 -5.986 393 HB3 SER 53 2HB SER 53 6.781 12.732 -4.522 394 HG SER 53 HG SER 53 7.481 10.326 -4.840 395 H GLU 54 H GLU 54 7.725 11.780 -8.040 396 HA GLU 54 HA GLU 54 7.174 9.616 -9.640 397 HB2 GLU 54 1HB GLU 54 9.430 9.786 -10.482 398 HB3 GLU 54 2HB GLU 54 8.814 11.402 -10.164 399 HG2 GLU 54 1HG GLU 54 10.065 11.498 -8.089 400 HG3 GLU 54 2HG GLU 54 10.645 9.853 -8.346 401 H LEU 55 H LEU 55 9.107 9.708 -6.691 402 HA LEU 55 HA LEU 55 10.051 7.036 -6.869 403 HB2 LEU 55 1HB LEU 55 9.740 8.848 -4.480 404 HB3 LEU 55 2HB LEU 55 10.616 7.319 -4.481 405 HG LEU 55 HG LEU 55 11.363 9.710 -6.162 406 HD11 LEU 55 1HD1 LEU 55 12.920 8.796 -3.790 407 HD12 LEU 55 2HD1 LEU 55 11.522 9.844 -3.557 408 HD13 LEU 55 3HD1 LEU 55 12.868 10.380 -4.562 409 HD21 LEU 55 1HD2 LEU 55 12.029 7.391 -6.926 410 HD22 LEU 55 2HD2 LEU 55 13.018 7.295 -5.469 411 HD23 LEU 55 3HD2 LEU 55 13.346 8.538 -6.679 412 H LEU 56 H LEU 56 7.076 8.445 -5.858 413 HA LEU 56 HA LEU 56 6.142 5.792 -4.992 414 HB2 LEU 56 1HB LEU 56 6.476 7.402 -3.094 415 HB3 LEU 56 2HB LEU 56 5.218 8.405 -3.813 416 HG LEU 56 HG LEU 56 4.572 5.568 -3.185 417 HD11 LEU 56 1HD1 LEU 56 3.835 6.529 -0.886 418 HD12 LEU 56 2HD1 LEU 56 5.105 7.716 -1.179 419 HD13 LEU 56 3HD1 LEU 56 5.501 5.998 -1.119 420 HD21 LEU 56 1HD2 LEU 56 2.795 7.828 -2.524 421 HD22 LEU 56 2HD2 LEU 56 2.432 6.280 -3.288 422 HD23 LEU 56 3HD2 LEU 56 3.143 7.587 -4.236 423 H VAL 57 H VAL 57 4.895 5.143 -6.633 424 HA VAL 57 HA VAL 57 3.080 7.073 -7.897 425 HB VAL 57 HB VAL 57 3.807 4.287 -8.813 426 HG11 VAL 57 1HG1 VAL 57 1.899 4.575 -9.976 427 HG12 VAL 57 2HG1 VAL 57 1.905 6.326 -9.758 428 HG13 VAL 57 3HG1 VAL 57 2.912 5.587 -11.005 429 HG21 VAL 57 1HG2 VAL 57 4.776 6.195 -10.615 430 HG22 VAL 57 2HG2 VAL 57 5.229 6.780 -9.014 431 HG23 VAL 57 3HG2 VAL 57 5.718 5.168 -9.534 432 H VAL 58 H VAL 58 0.977 7.038 -7.464 433 HA VAL 58 HA VAL 58 -0.133 4.661 -6.121 434 HB VAL 58 HB VAL 58 -1.088 7.523 -5.950 435 HG11 VAL 58 1HG1 VAL 58 -3.019 6.333 -5.601 436 HG12 VAL 58 2HG1 VAL 58 -2.170 4.938 -4.932 437 HG13 VAL 58 3HG1 VAL 58 -2.375 6.397 -3.961 438 HG21 VAL 58 1HG2 VAL 58 0.295 5.810 -3.887 439 HG22 VAL 58 2HG2 VAL 58 1.035 7.140 -4.777 440 HG23 VAL 58 3HG2 VAL 58 -0.286 7.459 -3.653 441 H LYS 59 H LYS 59 -1.498 3.498 -7.290 442 HA LYS 59 HA LYS 59 -2.804 4.733 -9.607 443 HB2 LYS 59 1HB LYS 59 -2.487 1.812 -8.889 444 HB3 LYS 59 2HB LYS 59 -3.201 2.432 -10.372 445 HG2 LYS 59 1HG LYS 59 -0.448 3.307 -9.710 446 HG3 LYS 59 2HG LYS 59 -0.679 1.637 -10.234 447 HD2 LYS 59 1HD LYS 59 -0.353 2.660 -12.259 448 HD3 LYS 59 2HD LYS 59 -2.109 2.780 -12.127 449 HE2 LYS 59 1HE LYS 59 -0.497 4.984 -10.971 450 HE3 LYS 59 2HE LYS 59 -0.565 4.868 -12.729 451 HZ1 LYS 59 1HZ LYS 59 -3.131 4.583 -11.471 452 HZ2 LYS 59 2HZ LYS 59 -2.663 5.578 -12.755 453 HZ3 LYS 59 3HZ LYS 59 -2.410 6.081 -11.160 454 H MET 60 H MET 60 -5.033 4.463 -9.994 455 HA MET 60 HA MET 60 -6.646 3.447 -7.771 456 HB2 MET 60 1HB MET 60 -6.367 5.908 -7.486 457 HB3 MET 60 2HB MET 60 -7.119 6.141 -9.059 458 HG2 MET 60 1HG MET 60 -9.053 4.732 -7.995 459 HG3 MET 60 2HG MET 60 -8.332 5.281 -6.485 460 HE1 MET 60 1HE MET 60 -11.522 7.282 -8.539 461 HE2 MET 60 2HE MET 60 -10.421 6.645 -9.760 462 HE3 MET 60 3HE MET 60 -11.002 5.598 -8.464 463 H ASP 61 H ASP 61 -7.776 1.866 -8.698 464 HA ASP 61 HA ASP 61 -9.192 2.466 -11.206 465 HB2 ASP 61 1HB ASP 61 -7.480 0.113 -10.531 466 HB3 ASP 61 2HB ASP 61 -8.892 -0.140 -11.553 467 H GLY 62 H GLY 62 -11.211 2.759 -10.417 468 HA2 GLY 62 1HA GLY 62 -13.171 2.336 -9.273 469 HA3 GLY 62 2HA GLY 62 -12.933 0.716 -9.910 470 H ARG 63 H ARG 63 -12.825 -0.873 -8.473 471 HA ARG 63 HA ARG 63 -12.458 -0.175 -5.655 472 HB2 ARG 63 1HB ARG 63 -13.654 -2.546 -7.068 473 HB3 ARG 63 2HB ARG 63 -13.227 -2.623 -5.364 474 HG2 ARG 63 1HG ARG 63 -14.775 -0.903 -4.815 475 HG3 ARG 63 2HG ARG 63 -15.064 -0.542 -6.518 476 HD2 ARG 63 1HD ARG 63 -16.018 -2.794 -6.807 477 HD3 ARG 63 2HD ARG 63 -15.773 -3.101 -5.088 478 HE ARG 63 HE ARG 63 -17.268 -0.858 -5.086 479 HH11 ARG 63 2HH1 ARG 63 -17.615 -3.935 -6.677 480 HH12 ARG 63 1HH1 ARG 63 -19.347 -3.885 -6.682 481 HH21 ARG 63 2HH2 ARG 63 -19.548 -0.780 -5.087 482 HH22 ARG 63 1HH2 ARG 63 -20.445 -2.089 -5.778 483 H LYS 64 H LYS 64 -10.122 -0.045 -7.062 484 HA LYS 64 HA LYS 64 -8.579 -2.142 -5.780 485 HB2 LYS 64 1HB LYS 64 -8.441 -1.659 -8.761 486 HB3 LYS 64 2HB LYS 64 -7.308 -2.649 -7.851 487 HG2 LYS 64 1HG LYS 64 -9.481 -3.911 -7.112 488 HG3 LYS 64 2HG LYS 64 -10.141 -3.192 -8.583 489 HD2 LYS 64 1HD LYS 64 -8.629 -4.324 -9.955 490 HD3 LYS 64 2HD LYS 64 -7.525 -4.660 -8.619 491 HE2 LYS 64 1HE LYS 64 -9.582 -6.002 -7.687 492 HE3 LYS 64 2HE LYS 64 -10.065 -6.023 -9.382 493 HZ1 LYS 64 1HZ LYS 64 -8.004 -7.506 -8.058 494 HZ2 LYS 64 2HZ LYS 64 -7.435 -6.717 -9.442 495 HZ3 LYS 64 3HZ LYS 64 -8.741 -7.786 -9.555 496 H HIS 65 H HIS 65 -7.016 -1.131 -4.723 497 HA HIS 65 HA HIS 65 -5.765 1.226 -5.970 498 HB2 HIS 65 1HB HIS 65 -6.385 0.822 -3.037 499 HB3 HIS 65 2HB HIS 65 -5.482 2.179 -3.703 500 HD1 HIS 65 1HD HIS 65 -6.849 4.194 -4.094 501 HD2 HIS 65 2HD HIS 65 -9.132 0.727 -4.279 502 HE1 HIS 65 1HE HIS 65 -9.215 4.965 -4.459 503 HE2 HIS 65 2HE HIS 65 -10.589 2.855 -4.482 504 H ARG 66 H ARG 66 -3.790 0.621 -6.572 505 HA ARG 66 HA ARG 66 -2.190 -0.974 -4.679 506 HB2 ARG 66 1HB ARG 66 -0.939 -1.749 -6.756 507 HB3 ARG 66 2HB ARG 66 -2.563 -2.386 -6.534 508 HG2 ARG 66 1HG ARG 66 -3.451 -0.955 -8.199 509 HG3 ARG 66 2HG ARG 66 -1.961 -0.012 -8.274 510 HD2 ARG 66 1HD ARG 66 -0.920 -2.360 -8.882 511 HD3 ARG 66 2HD ARG 66 -2.573 -2.702 -9.390 512 HE ARG 66 HE ARG 66 -1.524 -0.234 -10.429 513 HH11 ARG 66 2HH1 ARG 66 -1.780 -3.672 -10.913 514 HH12 ARG 66 1HH1 ARG 66 -1.537 -3.580 -12.626 515 HH21 ARG 66 2HH2 ARG 66 -1.203 -0.100 -12.683 516 HH22 ARG 66 1HH2 ARG 66 -1.208 -1.548 -13.632 517 H LEU 67 H LEU 67 0.056 -0.506 -4.566 518 HA LEU 67 HA LEU 67 0.735 2.206 -5.495 519 HB2 LEU 67 1HB LEU 67 0.509 1.667 -2.976 520 HB3 LEU 67 2HB LEU 67 2.060 0.853 -3.175 521 HG LEU 67 HG LEU 67 1.712 3.723 -3.974 522 HD11 LEU 67 1HD1 LEU 67 1.101 4.051 -1.809 523 HD12 LEU 67 2HD1 LEU 67 2.851 4.014 -1.599 524 HD13 LEU 67 3HD1 LEU 67 1.890 2.578 -1.243 525 HD21 LEU 67 1HD2 LEU 67 4.015 3.812 -3.949 526 HD22 LEU 67 2HD2 LEU 67 3.730 2.170 -4.527 527 HD23 LEU 67 3HD2 LEU 67 4.164 2.449 -2.839 528 H ILE 68 H ILE 68 2.314 2.343 -6.937 529 HA ILE 68 HA ILE 68 4.087 0.033 -7.309 530 HB ILE 68 HB ILE 68 3.234 2.252 -9.145 531 HG12 ILE 68 1HG1 ILE 68 3.377 -0.636 -9.880 532 HG13 ILE 68 2HG1 ILE 68 2.110 -0.128 -8.770 533 HG21 ILE 68 1HG2 ILE 68 5.519 0.337 -9.600 534 HG22 ILE 68 2HG2 ILE 68 4.858 1.457 -10.790 535 HG23 ILE 68 3HG2 ILE 68 5.658 2.077 -9.345 536 HD11 ILE 68 1HD1 ILE 68 1.413 1.562 -10.459 537 HD12 ILE 68 2HD1 ILE 68 2.576 0.843 -11.575 538 HD13 ILE 68 3HD1 ILE 68 1.222 -0.114 -10.974 539 H LEU 69 H LEU 69 6.341 0.348 -7.644 540 HA LEU 69 HA LEU 69 7.428 2.940 -6.825 541 HB2 LEU 69 1HB LEU 69 8.017 0.286 -5.541 542 HB3 LEU 69 2HB LEU 69 9.098 1.671 -5.398 543 HG LEU 69 HG LEU 69 6.223 1.832 -4.546 544 HD11 LEU 69 1HD1 LEU 69 6.742 1.106 -2.382 545 HD12 LEU 69 2HD1 LEU 69 8.478 1.161 -2.683 546 HD13 LEU 69 3HD1 LEU 69 7.491 -0.088 -3.442 547 HD21 LEU 69 1HD2 LEU 69 8.732 3.391 -3.992 548 HD22 LEU 69 2HD2 LEU 69 7.289 3.534 -2.987 549 HD23 LEU 69 3HD2 LEU 69 7.219 3.957 -4.699 550 HA PRO 70 HA PRO 70 9.914 1.919 -10.386 551 HB2 PRO 70 1HB PRO 70 11.319 4.242 -10.403 552 HB3 PRO 70 2HB PRO 70 9.661 4.118 -11.003 553 HG2 PRO 70 1HG PRO 70 10.648 5.111 -8.357 554 HG3 PRO 70 2HG PRO 70 9.391 5.788 -9.408 555 HD2 PRO 70 1HD PRO 70 8.816 4.289 -7.227 556 HD3 PRO 70 2HD PRO 70 7.800 4.286 -8.683 557 H GLU 71 H GLU 71 11.245 3.223 -7.369 558 HA GLU 71 HA GLU 71 13.598 1.498 -7.757 559 HB2 GLU 71 1HB GLU 71 13.969 4.032 -8.077 560 HB3 GLU 71 2HB GLU 71 13.757 4.143 -6.335 561 HG2 GLU 71 1HG GLU 71 15.624 2.594 -6.013 562 HG3 GLU 71 2HG GLU 71 15.843 2.506 -7.760 563 H ALA 72 H ALA 72 13.493 -0.062 -6.290 564 HA ALA 72 HA ALA 72 12.095 0.309 -3.788 565 HB1 ALA 72 1HB ALA 72 13.350 -2.154 -3.669 566 HB2 ALA 72 2HB ALA 72 11.698 -1.843 -4.203 567 HB3 ALA 72 3HB ALA 72 13.003 -1.933 -5.385 568 H LYS 73 H LYS 73 13.515 1.983 -2.947 569 HA LYS 73 HA LYS 73 16.231 1.275 -2.268 570 HB2 LYS 73 1HB LYS 73 16.270 3.490 -1.158 571 HB3 LYS 73 2HB LYS 73 15.752 3.578 -2.836 572 HG2 LYS 73 1HG LYS 73 13.358 3.415 -1.770 573 HG3 LYS 73 2HG LYS 73 14.197 4.027 -0.342 574 HD2 LYS 73 1HD LYS 73 14.498 5.344 -3.024 575 HD3 LYS 73 2HD LYS 73 13.149 5.733 -1.953 576 HE2 LYS 73 1HE LYS 73 15.896 5.769 -0.818 577 HE3 LYS 73 2HE LYS 73 15.428 7.086 -1.893 578 HZ1 LYS 73 1HZ LYS 73 14.972 7.113 0.714 579 HZ2 LYS 73 2HZ LYS 73 13.532 6.390 0.201 580 HZ3 LYS 73 3HZ LYS 73 13.974 7.909 -0.398 581 H VAL 74 H VAL 74 17.055 0.960 -0.190 582 HA VAL 74 HA VAL 74 15.736 -0.680 1.535 583 HB VAL 74 HB VAL 74 17.847 1.358 2.252 584 HG11 VAL 74 1HG1 VAL 74 16.594 -0.859 3.818 585 HG12 VAL 74 2HG1 VAL 74 18.278 -0.416 4.101 586 HG13 VAL 74 3HG1 VAL 74 17.001 0.779 4.325 587 HG21 VAL 74 1HG2 VAL 74 18.537 -1.486 2.086 588 HG22 VAL 74 2HG2 VAL 74 18.057 -0.761 0.552 589 HG23 VAL 74 3HG2 VAL 74 19.394 -0.072 1.473 590 H GLN 75 H GLN 75 15.433 2.770 1.283 591 HA GLN 75 HA GLN 75 14.181 3.169 3.822 592 HB2 GLN 75 1HB GLN 75 13.962 4.958 1.404 593 HB3 GLN 75 2HB GLN 75 13.775 5.409 3.093 594 HG2 GLN 75 1HG GLN 75 16.353 4.372 1.956 595 HG3 GLN 75 2HG GLN 75 15.933 6.084 1.990 596 HE21 GLN 75 1HE2 GLN 75 17.403 6.808 3.421 597 HE22 GLN 75 2HE2 GLN 75 17.501 6.294 5.067 598 H ASP 76 H ASP 76 13.054 2.581 0.540 599 HA ASP 76 HA ASP 76 10.365 3.159 0.796 600 HB2 ASP 76 1HB ASP 76 11.932 1.257 -0.879 601 HB3 ASP 76 2HB ASP 76 10.180 1.073 -0.847 602 H SER 77 H SER 77 12.161 0.409 1.988 603 HA SER 77 HA SER 77 10.073 -1.361 2.514 604 HB2 SER 77 1HB SER 77 11.571 -2.511 3.944 605 HB3 SER 77 2HB SER 77 12.595 -1.761 2.719 606 HG SER 77 HG SER 77 13.510 -0.624 4.224 607 H GLY 78 H GLY 78 8.685 -1.666 4.217 608 HA2 GLY 78 1HA GLY 78 8.576 -0.803 6.726 609 HA3 GLY 78 2HA GLY 78 8.206 0.688 5.871 610 H GLU 79 H GLU 79 6.341 -0.111 7.565 611 HA GLU 79 HA GLU 79 4.420 -1.882 6.375 612 HB2 GLU 79 1HB GLU 79 4.550 -1.722 8.789 613 HB3 GLU 79 2HB GLU 79 4.223 0.004 8.727 614 HG2 GLU 79 1HG GLU 79 2.234 -1.871 7.558 615 HG3 GLU 79 2HG GLU 79 2.339 -1.718 9.311 616 H PHE 80 H PHE 80 2.919 -1.397 4.921 617 HA PHE 80 HA PHE 80 2.384 1.441 4.364 618 HB2 PHE 80 1HB PHE 80 2.455 -1.008 2.651 619 HB3 PHE 80 2HB PHE 80 1.404 0.324 2.181 620 HD1 PHE 80 1HD PHE 80 4.895 -0.668 2.795 621 HD2 PHE 80 2HD PHE 80 2.285 2.331 1.273 622 HE1 PHE 80 1HE PHE 80 6.815 0.474 1.762 623 HE2 PHE 80 2HE PHE 80 4.200 3.476 0.237 624 HZ PHE 80 HZ PHE 80 6.468 2.548 0.480 625 H GLU 81 H GLU 81 0.448 2.245 4.826 626 HA GLU 81 HA GLU 81 -1.759 0.358 5.327 627 HB2 GLU 81 1HB GLU 81 -1.188 1.479 7.361 628 HB3 GLU 81 2HB GLU 81 -1.144 3.043 6.558 629 HG2 GLU 81 1HG GLU 81 -3.656 2.492 6.042 630 HG3 GLU 81 2HG GLU 81 -3.478 1.423 7.432 631 H CYS 82 H CYS 82 -3.571 0.537 4.162 632 HA CYS 82 HA CYS 82 -3.792 2.830 2.330 633 HB2 CYS 82 1HB CYS 82 -3.560 0.757 1.123 634 HB3 CYS 82 2HB CYS 82 -4.826 0.001 2.082 635 HG CYS 82 HG CYS 82 -5.404 2.647 -0.007 636 H ARG 83 H ARG 83 -4.859 4.157 3.853 637 HA ARG 83 HA ARG 83 -7.303 3.304 5.094 638 HB2 ARG 83 1HB ARG 83 -5.855 4.948 6.182 639 HB3 ARG 83 2HB ARG 83 -6.079 6.055 4.835 640 HG2 ARG 83 1HG ARG 83 -8.586 5.895 5.409 641 HG3 ARG 83 2HG ARG 83 -8.028 5.247 6.952 642 HD2 ARG 83 1HD ARG 83 -6.470 7.345 6.934 643 HD3 ARG 83 2HD ARG 83 -7.652 7.970 5.785 644 HE ARG 83 HE ARG 83 -8.924 6.947 8.108 645 HH11 ARG 83 2HH1 ARG 83 -7.115 9.671 6.912 646 HH12 ARG 83 1HH1 ARG 83 -7.806 10.791 8.039 647 HH21 ARG 83 2HH2 ARG 83 -9.841 8.412 9.597 648 HH22 ARG 83 1HH2 ARG 83 -9.356 10.074 9.566 649 H THR 84 H THR 84 -9.307 3.428 4.314 650 HA THR 84 HA THR 84 -9.738 4.981 1.845 651 HB THR 84 HB THR 84 -10.241 2.935 1.020 652 HG1 THR 84 1HG THR 84 -12.644 2.988 2.489 653 HG21 THR 84 1HG2 THR 84 -10.630 2.162 3.882 654 HG22 THR 84 2HG2 THR 84 -9.537 1.483 2.676 655 HG23 THR 84 3HG2 THR 84 -11.262 1.123 2.606 656 H GLU 85 H GLU 85 -11.942 3.458 4.183 657 HA GLU 85 HA GLU 85 -13.208 6.092 4.565 658 HB2 GLU 85 1HB GLU 85 -14.657 4.643 3.256 659 HB3 GLU 85 2HB GLU 85 -14.518 3.370 4.461 660 HG2 GLU 85 1HG GLU 85 -16.611 4.375 4.810 661 HG3 GLU 85 2HG GLU 85 -15.567 4.968 6.100 662 H GLY 86 H GLY 86 -13.106 2.859 6.084 663 HA2 GLY 86 1HA GLY 86 -12.667 4.214 8.669 664 HA3 GLY 86 2HA GLY 86 -13.856 2.930 8.513 665 H VAL 87 H VAL 87 -12.050 1.494 6.598 666 HA VAL 87 HA VAL 87 -10.202 0.397 8.616 667 HB VAL 87 HB VAL 87 -10.349 -1.745 7.453 668 HG11 VAL 87 1HG1 VAL 87 -13.191 -1.421 7.686 669 HG12 VAL 87 2HG1 VAL 87 -12.070 -2.255 8.763 670 HG13 VAL 87 3HG1 VAL 87 -12.373 -0.529 8.968 671 HG21 VAL 87 1HG2 VAL 87 -12.553 -1.582 5.808 672 HG22 VAL 87 2HG2 VAL 87 -11.656 -0.112 5.430 673 HG23 VAL 87 3HG2 VAL 87 -10.873 -1.685 5.282 674 H SER 88 H SER 88 -8.419 -0.973 7.390 675 HA SER 88 HA SER 88 -7.481 0.158 4.925 676 HB2 SER 88 1HB SER 88 -5.607 0.606 7.220 677 HB3 SER 88 2HB SER 88 -5.672 1.417 5.655 678 HG SER 88 HG SER 88 -6.569 2.892 6.924 679 H ALA 89 H ALA 89 -5.480 -0.845 4.188 680 HA ALA 89 HA ALA 89 -5.151 -3.525 5.355 681 HB1 ALA 89 1HB ALA 89 -5.247 -2.510 2.616 682 HB2 ALA 89 2HB ALA 89 -3.926 -3.641 2.915 683 HB3 ALA 89 3HB ALA 89 -5.590 -4.122 3.243 684 H PHE 90 H PHE 90 -3.192 -4.252 6.011 685 HA PHE 90 HA PHE 90 -0.978 -2.317 5.924 686 HB2 PHE 90 1HB PHE 90 -1.728 -4.460 7.898 687 HB3 PHE 90 2HB PHE 90 -0.095 -3.803 7.845 688 HD1 PHE 90 1HD PHE 90 -3.370 -2.097 7.407 689 HD2 PHE 90 2HD PHE 90 0.137 -2.552 9.776 690 HE1 PHE 90 1HE PHE 90 -4.086 -0.216 8.822 691 HE2 PHE 90 2HE PHE 90 -0.574 -0.673 11.196 692 HZ PHE 90 HZ PHE 90 -2.688 0.498 10.720 693 H PHE 91 H PHE 91 0.653 -2.759 4.613 694 HA PHE 91 HA PHE 91 1.139 -5.569 3.870 695 HB2 PHE 91 1HB PHE 91 1.726 -3.075 2.261 696 HB3 PHE 91 2HB PHE 91 2.054 -4.728 1.751 697 HD1 PHE 91 2HD PHE 91 -0.613 -2.302 2.509 698 HD2 PHE 91 1HD PHE 91 0.354 -6.094 0.836 699 HE1 PHE 91 2HE PHE 91 -2.868 -2.443 1.534 700 HE2 PHE 91 1HE PHE 91 -1.899 -6.241 -0.142 701 HZ PHE 91 HZ PHE 91 -3.514 -4.414 0.207 702 H GLY 92 H GLY 92 2.877 -6.361 4.851 703 HA2 GLY 92 1HA GLY 92 4.969 -4.597 5.814 704 HA3 GLY 92 2HA GLY 92 4.850 -6.328 6.093 705 H VAL 93 H VAL 93 6.244 -3.849 4.195 706 HA VAL 93 HA VAL 93 7.333 -5.776 2.271 707 HB VAL 93 HB VAL 93 7.456 -2.757 2.263 708 HG11 VAL 93 1HG1 VAL 93 8.468 -2.893 0.120 709 HG12 VAL 93 2HG1 VAL 93 9.389 -3.957 1.185 710 HG13 VAL 93 3HG1 VAL 93 8.229 -4.639 0.044 711 HG21 VAL 93 1HG2 VAL 93 5.268 -3.177 1.716 712 HG22 VAL 93 2HG2 VAL 93 6.019 -3.270 0.123 713 HG23 VAL 93 3HG2 VAL 93 5.633 -4.749 1.003 714 H THR 94 H THR 94 9.545 -6.029 1.954 715 HA THR 94 HA THR 94 11.351 -4.709 3.846 716 HB THR 94 HB THR 94 11.224 -7.707 3.468 717 HG1 THR 94 1HG THR 94 9.709 -7.204 4.963 718 HG21 THR 94 1HG2 THR 94 13.470 -7.419 3.796 719 HG22 THR 94 2HG2 THR 94 12.936 -7.418 5.477 720 HG23 THR 94 3HG2 THR 94 13.260 -5.893 4.653 721 H VAL 95 H VAL 95 12.846 -3.768 2.630 722 HA VAL 95 HA VAL 95 13.664 -5.043 0.115 723 HB VAL 95 HB VAL 95 14.236 -2.228 1.050 724 HG11 VAL 95 1HG1 VAL 95 14.483 -3.489 -1.680 725 HG12 VAL 95 2HG1 VAL 95 14.854 -1.815 -1.262 726 HG13 VAL 95 3HG1 VAL 95 15.826 -3.127 -0.596 727 HG21 VAL 95 1HG2 VAL 95 11.883 -2.385 0.791 728 HG22 VAL 95 2HG2 VAL 95 12.499 -1.620 -0.674 729 HG23 VAL 95 3HG2 VAL 95 12.040 -3.323 -0.695 730 H GLN 96 H GLN 96 15.462 -6.206 0.159 731 HA GLN 96 HA GLN 96 17.555 -5.504 2.105 732 HB2 GLN 96 1HB GLN 96 16.851 -8.136 0.810 733 HB3 GLN 96 2HB GLN 96 18.337 -7.881 1.715 734 HG2 GLN 96 1HG GLN 96 16.946 -7.241 3.680 735 HG3 GLN 96 2HG GLN 96 15.521 -7.713 2.755 736 HE21 GLN 96 1HE2 GLN 96 15.561 -9.045 4.891 737 HE22 GLN 96 2HE2 GLN 96 16.228 -10.631 4.740 738 H ASP 97 H ASP 97 19.602 -5.100 1.438 739 HA ASP 97 HA ASP 97 20.003 -4.533 -1.350 740 HB2 ASP 97 1HB ASP 97 22.171 -3.668 -0.665 741 HB3 ASP 97 2HB ASP 97 20.923 -3.083 0.432 742 HA PRO 98 HA PRO 98 21.687 -8.456 -2.480 743 HB2 PRO 98 1HB PRO 98 22.825 -7.701 -4.826 744 HB3 PRO 98 2HB PRO 98 21.081 -7.915 -4.629 745 HG2 PRO 98 1HG PRO 98 22.697 -5.395 -4.589 746 HG3 PRO 98 2HG PRO 98 21.138 -5.712 -5.372 747 HD2 PRO 98 1HD PRO 98 21.343 -4.407 -3.009 748 HD3 PRO 98 2HD PRO 98 19.956 -5.439 -3.413 749 H SER 99 H SER 99 23.572 -9.517 -2.168 750 HA SER 99 HA SER 99 25.866 -7.961 -1.301 751 HB2 SER 99 1HB SER 99 26.762 -10.066 -0.491 752 HB3 SER 99 2HB SER 99 25.073 -9.934 0.002 753 HG SER 99 HG SER 99 24.863 -11.122 -2.223 754 H GLY 100 H GLY 100 25.419 -7.613 -3.995 755 HA2 GLY 100 1HA GLY 100 27.223 -9.400 -5.431 756 HA3 GLY 100 2HA GLY 100 26.242 -8.124 -6.136 757 HA PRO 101 HA PRO 101 30.777 -6.833 -5.121 758 HB2 PRO 101 1HB PRO 101 32.086 -7.629 -7.362 759 HB3 PRO 101 2HB PRO 101 31.964 -8.633 -5.913 760 HG2 PRO 101 1HG PRO 101 30.359 -8.748 -8.437 761 HG3 PRO 101 2HG PRO 101 31.045 -10.078 -7.486 762 HD2 PRO 101 1HD PRO 101 28.436 -9.370 -7.330 763 HD3 PRO 101 2HD PRO 101 29.331 -10.027 -5.945 764 H SER 102 H SER 102 28.513 -6.607 -7.666 765 HA SER 102 HA SER 102 29.791 -4.611 -9.237 766 HB2 SER 102 1HB SER 102 26.832 -5.201 -8.985 767 HB3 SER 102 2HB SER 102 27.613 -4.313 -10.293 768 HG SER 102 HG SER 102 28.137 -6.139 -11.183 769 H SER 103 H SER 103 28.726 -2.409 -9.541 770 HA SER 103 HA SER 103 28.029 -1.258 -6.919 771 HB2 SER 103 1HB SER 103 29.707 0.105 -9.036 772 HB3 SER 103 2HB SER 103 29.356 0.699 -7.413 773 HG SER 103 HG SER 103 30.389 -1.611 -6.985 774 H GLY 104 H GLY 104 26.735 0.679 -6.985 775 HA2 GLY 104 1HA GLY 104 25.570 2.270 -8.539 776 HA3 GLY 104 2HA GLY 104 25.105 0.838 -9.445 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -33.366 2.823 1.455 2 HA2 GLY 1 1HA GLY 1 -34.834 1.540 0.243 3 HA3 GLY 1 2HA GLY 1 -33.417 0.759 -0.443 4 H SER 2 H SER 2 -33.833 -1.358 -0.368 5 HA SER 2 HA SER 2 -35.150 -2.506 1.962 6 HB2 SER 2 1HB SER 2 -35.684 -3.116 -0.481 7 HB3 SER 2 2HB SER 2 -34.181 -4.038 -0.447 8 HG SER 2 HG SER 2 -36.360 -5.036 0.207 9 H SER 3 H SER 3 -32.109 -2.882 0.164 10 HA SER 3 HA SER 3 -31.000 -4.771 1.985 11 HB2 SER 3 1HB SER 3 -28.848 -4.243 0.785 12 HB3 SER 3 2HB SER 3 -30.170 -4.738 -0.271 13 HG SER 3 HG SER 3 -28.753 -2.527 -0.408 14 H GLY 4 H GLY 4 -31.121 -3.941 4.064 15 HA2 GLY 4 1HA GLY 4 -29.747 -1.411 4.612 16 HA3 GLY 4 2HA GLY 4 -30.779 -2.289 5.731 17 H SER 5 H SER 5 -27.657 -2.505 4.053 18 HA SER 5 HA SER 5 -26.636 -4.480 5.862 19 HB2 SER 5 1HB SER 5 -25.198 -2.741 3.843 20 HB3 SER 5 2HB SER 5 -24.493 -4.121 4.685 21 HG SER 5 HG SER 5 -26.772 -4.242 2.996 22 H SER 6 H SER 6 -24.327 -3.938 6.809 23 HA SER 6 HA SER 6 -24.513 -1.365 8.233 24 HB2 SER 6 1HB SER 6 -23.708 -2.454 10.264 25 HB3 SER 6 2HB SER 6 -25.178 -3.249 9.701 26 HG SER 6 HG SER 6 -23.438 -4.631 8.539 27 H GLY 7 H GLY 7 -23.013 -0.406 6.834 28 HA2 GLY 7 1HA GLY 7 -20.497 -0.016 7.434 29 HA3 GLY 7 2HA GLY 7 -20.341 -1.607 6.703 30 HA PRO 8 HA PRO 8 -21.006 2.009 3.510 31 HB2 PRO 8 1HB PRO 8 -18.818 3.601 3.723 32 HB3 PRO 8 2HB PRO 8 -20.328 3.923 4.584 33 HG2 PRO 8 1HG PRO 8 -17.818 2.631 5.580 34 HG3 PRO 8 2HG PRO 8 -18.851 3.832 6.378 35 HD2 PRO 8 1HD PRO 8 -18.964 1.192 6.968 36 HD3 PRO 8 2HD PRO 8 -20.387 2.251 7.049 37 H VAL 9 H VAL 9 -17.706 1.073 4.505 38 HA VAL 9 HA VAL 9 -17.364 -0.334 1.971 39 HB VAL 9 HB VAL 9 -16.522 1.998 1.628 40 HG11 VAL 9 1HG1 VAL 9 -14.026 1.722 2.980 41 HG12 VAL 9 2HG1 VAL 9 -15.244 2.988 3.149 42 HG13 VAL 9 3HG1 VAL 9 -15.333 1.538 4.149 43 HG21 VAL 9 1HG2 VAL 9 -14.459 -0.201 1.526 44 HG22 VAL 9 2HG2 VAL 9 -15.675 0.143 0.296 45 HG23 VAL 9 3HG2 VAL 9 -14.394 1.310 0.620 46 H HIS 10 H HIS 10 -15.840 -1.980 2.030 47 HA HIS 10 HA HIS 10 -14.267 -2.367 4.448 48 HB2 HIS 10 1HB HIS 10 -15.136 -4.771 4.580 49 HB3 HIS 10 2HB HIS 10 -16.206 -3.502 5.168 50 HD1 HIS 10 1HD HIS 10 -17.951 -2.646 3.135 51 HD2 HIS 10 2HD HIS 10 -16.417 -6.503 2.961 52 HE1 HIS 10 1HE HIS 10 -19.503 -3.919 1.620 53 HE2 HIS 10 2HE HIS 10 -18.603 -6.271 1.598 54 H ILE 11 H ILE 11 -12.323 -3.154 3.959 55 HA ILE 11 HA ILE 11 -11.553 -3.677 1.302 56 HB ILE 11 HB ILE 11 -10.167 -4.228 3.921 57 HG12 ILE 11 1HG1 ILE 11 -9.223 -2.298 1.847 58 HG13 ILE 11 2HG1 ILE 11 -10.618 -1.855 2.825 59 HG21 ILE 11 1HG2 ILE 11 -9.286 -4.805 1.116 60 HG22 ILE 11 2HG2 ILE 11 -8.113 -4.448 2.383 61 HG23 ILE 11 3HG2 ILE 11 -9.192 -5.833 2.546 62 HD11 ILE 11 1HD1 ILE 11 -9.072 -2.523 4.813 63 HD12 ILE 11 2HD1 ILE 11 -7.785 -2.257 3.636 64 HD13 ILE 11 3HD1 ILE 11 -8.900 -0.950 4.035 65 H LEU 12 H LEU 12 -11.112 -5.559 0.207 66 HA LEU 12 HA LEU 12 -12.223 -8.006 1.402 67 HB2 LEU 12 1HB LEU 12 -11.703 -7.646 -1.522 68 HB3 LEU 12 2HB LEU 12 -12.838 -8.731 -0.721 69 HG LEU 12 HG LEU 12 -13.118 -5.756 -1.117 70 HD11 LEU 12 1HD1 LEU 12 -13.762 -6.802 -3.091 71 HD12 LEU 12 2HD1 LEU 12 -15.278 -6.623 -2.209 72 HD13 LEU 12 3HD1 LEU 12 -14.459 -8.185 -2.247 73 HD21 LEU 12 1HD2 LEU 12 -15.272 -7.385 0.114 74 HD22 LEU 12 2HD2 LEU 12 -14.885 -5.676 0.317 75 HD23 LEU 12 3HD2 LEU 12 -13.917 -6.904 1.135 76 H SER 13 H SER 13 -9.451 -6.653 -0.268 77 HA SER 13 HA SER 13 -7.796 -8.819 0.708 78 HB2 SER 13 1HB SER 13 -8.557 -9.738 -1.423 79 HB3 SER 13 2HB SER 13 -8.053 -8.269 -2.259 80 HG SER 13 HG SER 13 -5.898 -8.865 -1.211 81 HA PRO 14 HA PRO 14 -5.775 -9.406 0.831 82 HB2 PRO 14 1HB PRO 14 -4.176 -8.898 2.965 83 HB3 PRO 14 2HB PRO 14 -3.570 -8.973 1.306 84 HG2 PRO 14 1HG PRO 14 -4.261 -6.578 2.964 85 HG3 PRO 14 2HG PRO 14 -2.867 -6.837 1.899 86 HD2 PRO 14 1HD PRO 14 -5.028 -5.389 1.145 87 HD3 PRO 14 2HD PRO 14 -4.072 -6.345 -0.004 88 H GLN 15 H GLN 15 -6.212 -10.561 2.882 89 HA GLN 15 HA GLN 15 -8.526 -9.406 4.189 90 HB2 GLN 15 1HB GLN 15 -7.237 -12.131 4.324 91 HB3 GLN 15 2HB GLN 15 -8.621 -11.677 5.310 92 HG2 GLN 15 1HG GLN 15 -9.976 -11.345 3.362 93 HG3 GLN 15 2HG GLN 15 -8.588 -11.593 2.304 94 HE21 GLN 15 1HE2 GLN 15 -8.691 -13.472 1.327 95 HE22 GLN 15 2HE2 GLN 15 -9.247 -14.956 2.015 96 H ASP 16 H ASP 16 -5.224 -10.294 4.974 97 HA ASP 16 HA ASP 16 -5.414 -8.742 7.428 98 HB2 ASP 16 1HB ASP 16 -4.145 -10.650 8.626 99 HB3 ASP 16 2HB ASP 16 -5.887 -10.810 8.418 100 H LYS 17 H LYS 17 -3.135 -8.731 8.513 101 HA LYS 17 HA LYS 17 -1.355 -7.415 6.923 102 HB2 LYS 17 1HB LYS 17 -1.134 -7.451 9.337 103 HB3 LYS 17 2HB LYS 17 -0.749 -9.166 9.311 104 HG2 LYS 17 1HG LYS 17 1.302 -8.085 9.607 105 HG3 LYS 17 2HG LYS 17 1.269 -8.535 7.900 106 HD2 LYS 17 1HD LYS 17 0.267 -6.150 7.576 107 HD3 LYS 17 2HD LYS 17 0.984 -5.836 9.158 108 HE2 LYS 17 1HE LYS 17 3.112 -6.900 8.077 109 HE3 LYS 17 2HE LYS 17 2.312 -6.485 6.561 110 HZ1 LYS 17 1HZ LYS 17 3.452 -4.575 6.924 111 HZ2 LYS 17 2HZ LYS 17 3.440 -4.733 8.608 112 HZ3 LYS 17 3HZ LYS 17 2.057 -4.189 7.800 113 H VAL 18 H VAL 18 0.095 -7.912 5.397 114 HA VAL 18 HA VAL 18 0.567 -10.765 4.838 115 HB VAL 18 HB VAL 18 1.182 -9.996 2.534 116 HG11 VAL 18 1HG1 VAL 18 -1.619 -9.202 3.294 117 HG12 VAL 18 2HG1 VAL 18 -1.058 -9.878 1.764 118 HG13 VAL 18 3HG1 VAL 18 -1.078 -10.878 3.217 119 HG21 VAL 18 1HG2 VAL 18 1.686 -7.657 3.144 120 HG22 VAL 18 2HG2 VAL 18 0.540 -7.778 1.810 121 HG23 VAL 18 3HG2 VAL 18 -0.032 -7.384 3.431 122 H SER 19 H SER 19 2.717 -10.945 3.435 123 HA SER 19 HA SER 19 4.842 -9.305 4.589 124 HB2 SER 19 1HB SER 19 6.127 -11.180 5.359 125 HB3 SER 19 2HB SER 19 4.510 -11.340 6.045 126 HG SER 19 HG SER 19 4.219 -12.651 3.940 127 H LEU 20 H LEU 20 6.067 -8.620 2.975 128 HA LEU 20 HA LEU 20 6.696 -10.457 0.776 129 HB2 LEU 20 1HB LEU 20 5.994 -7.567 0.321 130 HB3 LEU 20 2HB LEU 20 6.280 -8.813 -0.893 131 HG LEU 20 HG LEU 20 3.991 -9.092 1.010 132 HD11 LEU 20 1HD1 LEU 20 4.009 -6.779 -0.057 133 HD12 LEU 20 2HD1 LEU 20 2.565 -7.764 -0.289 134 HD13 LEU 20 3HD1 LEU 20 3.746 -7.613 -1.590 135 HD21 LEU 20 1HD2 LEU 20 3.026 -10.150 -1.085 136 HD22 LEU 20 2HD2 LEU 20 4.366 -11.002 -0.316 137 HD23 LEU 20 3HD2 LEU 20 4.649 -10.038 -1.766 138 H THR 21 H THR 21 8.677 -10.064 -0.268 139 HA THR 21 HA THR 21 10.410 -8.033 0.957 140 HB THR 21 HB THR 21 11.405 -10.819 0.377 141 HG1 THR 21 1HG THR 21 9.852 -10.964 2.037 142 HG21 THR 21 1HG2 THR 21 12.586 -8.926 2.359 143 HG22 THR 21 2HG2 THR 21 12.880 -8.657 0.641 144 HG23 THR 21 3HG2 THR 21 13.368 -10.176 1.392 145 H PHE 22 H PHE 22 12.036 -7.215 -0.365 146 HA PHE 22 HA PHE 22 12.224 -8.224 -3.100 147 HB2 PHE 22 1HB PHE 22 11.586 -5.344 -2.427 148 HB3 PHE 22 2HB PHE 22 11.960 -5.953 -4.036 149 HD1 PHE 22 2HD PHE 22 10.386 -7.469 -5.180 150 HD2 PHE 22 1HD PHE 22 9.435 -5.620 -1.466 151 HE1 PHE 22 2HE PHE 22 8.005 -7.975 -5.541 152 HE2 PHE 22 1HE PHE 22 7.053 -6.124 -1.821 153 HZ PHE 22 HZ PHE 22 6.335 -7.302 -3.861 154 H THR 23 H THR 23 13.932 -6.797 -4.318 155 HA THR 23 HA THR 23 16.221 -6.485 -2.490 156 HB THR 23 HB THR 23 16.278 -7.118 -5.447 157 HG1 THR 23 1HG THR 23 17.111 -8.893 -3.425 158 HG21 THR 23 1HG2 THR 23 18.669 -7.611 -5.014 159 HG22 THR 23 2HG2 THR 23 18.471 -6.991 -3.374 160 HG23 THR 23 3HG2 THR 23 18.261 -5.915 -4.755 161 H THR 24 H THR 24 17.510 -4.683 -2.611 162 HA THR 24 HA THR 24 16.453 -2.237 -3.197 163 HB THR 24 HB THR 24 19.379 -2.983 -3.383 164 HG1 THR 24 1HG THR 24 19.198 -1.963 -1.160 165 HG21 THR 24 1HG2 THR 24 19.479 -0.874 -4.222 166 HG22 THR 24 2HG2 THR 24 19.378 -0.445 -2.514 167 HG23 THR 24 3HG2 THR 24 17.931 -0.405 -3.521 168 H SER 25 H SER 25 16.561 -0.770 -4.903 169 HA SER 25 HA SER 25 16.512 -0.082 -7.071 170 HB2 SER 25 1HB SER 25 18.749 -2.104 -7.253 171 HB3 SER 25 2HB SER 25 18.257 -1.098 -8.615 172 HG SER 25 HG SER 25 18.626 0.355 -6.346 173 H GLU 26 H GLU 26 14.476 -1.702 -6.451 174 HA GLU 26 HA GLU 26 14.094 -3.229 -8.925 175 HB2 GLU 26 1HB GLU 26 13.447 -4.197 -6.138 176 HB3 GLU 26 2HB GLU 26 12.850 -4.961 -7.605 177 HG2 GLU 26 1HG GLU 26 15.782 -4.560 -7.227 178 HG3 GLU 26 2HG GLU 26 14.959 -5.892 -6.416 179 H ARG 27 H ARG 27 11.731 -3.764 -9.257 180 HA ARG 27 HA ARG 27 10.173 -1.368 -8.661 181 HB2 ARG 27 1HB ARG 27 10.383 -2.205 -11.007 182 HB3 ARG 27 2HB ARG 27 9.505 -3.651 -10.525 183 HG2 ARG 27 1HG ARG 27 7.740 -1.861 -9.700 184 HG3 ARG 27 2HG ARG 27 8.529 -0.883 -10.940 185 HD2 ARG 27 1HD ARG 27 8.107 -2.641 -12.590 186 HD3 ARG 27 2HD ARG 27 7.320 -3.616 -11.350 187 HE ARG 27 HE ARG 27 6.111 -1.056 -11.564 188 HH11 ARG 27 2HH1 ARG 27 6.308 -4.166 -13.115 189 HH12 ARG 27 1HH1 ARG 27 4.738 -4.050 -13.839 190 HH21 ARG 27 2HH2 ARG 27 4.042 -0.891 -12.511 191 HH22 ARG 27 1HH2 ARG 27 3.450 -2.187 -13.495 192 H VAL 28 H VAL 28 8.756 -1.354 -7.056 193 HA VAL 28 HA VAL 28 7.616 -3.920 -6.158 194 HB VAL 28 HB VAL 28 8.117 -1.411 -4.551 195 HG11 VAL 28 1HG1 VAL 28 7.438 -3.765 -3.028 196 HG12 VAL 28 2HG1 VAL 28 6.719 -2.154 -2.988 197 HG13 VAL 28 3HG1 VAL 28 6.151 -3.346 -4.158 198 HG21 VAL 28 1HG2 VAL 28 9.647 -2.921 -3.273 199 HG22 VAL 28 2HG2 VAL 28 9.418 -4.130 -4.536 200 HG23 VAL 28 3HG2 VAL 28 10.168 -2.581 -4.923 201 H VAL 29 H VAL 29 5.551 -4.165 -6.667 202 HA VAL 29 HA VAL 29 3.789 -1.807 -6.600 203 HB VAL 29 HB VAL 29 3.933 -2.125 -8.893 204 HG11 VAL 29 1HG1 VAL 29 3.577 -4.665 -9.700 205 HG12 VAL 29 2HG1 VAL 29 5.163 -3.948 -9.411 206 HG13 VAL 29 3HG1 VAL 29 4.405 -4.945 -8.169 207 HG21 VAL 29 1HG2 VAL 29 1.688 -4.022 -8.261 208 HG22 VAL 29 2HG2 VAL 29 1.582 -2.290 -7.946 209 HG23 VAL 29 3HG2 VAL 29 1.810 -2.874 -9.595 210 H LEU 30 H LEU 30 2.544 -2.134 -4.866 211 HA LEU 30 HA LEU 30 1.785 -4.772 -4.001 212 HB2 LEU 30 1HB LEU 30 0.725 -2.142 -2.995 213 HB3 LEU 30 2HB LEU 30 0.726 -3.694 -2.159 214 HG LEU 30 HG LEU 30 3.250 -2.209 -2.866 215 HD11 LEU 30 1HD1 LEU 30 1.386 -1.885 -0.572 216 HD12 LEU 30 2HD1 LEU 30 2.368 -0.685 -1.412 217 HD13 LEU 30 3HD1 LEU 30 3.121 -1.798 -0.269 218 HD21 LEU 30 1HD2 LEU 30 4.343 -3.716 -1.471 219 HD22 LEU 30 2HD2 LEU 30 3.187 -4.729 -2.335 220 HD23 LEU 30 3HD2 LEU 30 2.849 -4.220 -0.680 221 H THR 31 H THR 31 -0.728 -4.728 -3.191 222 HA THR 31 HA THR 31 -2.486 -3.760 -5.287 223 HB THR 31 HB THR 31 -2.383 -6.723 -4.705 224 HG1 THR 31 1HG THR 31 -1.182 -5.155 -6.725 225 HG21 THR 31 1HG2 THR 31 -3.668 -6.427 -7.070 226 HG22 THR 31 2HG2 THR 31 -4.161 -4.948 -6.246 227 HG23 THR 31 3HG2 THR 31 -4.484 -6.517 -5.510 228 H CYS 32 H CYS 32 -4.548 -3.440 -4.591 229 HA CYS 32 HA CYS 32 -5.430 -4.651 -2.091 230 HB2 CYS 32 1HB CYS 32 -4.265 -2.481 -1.541 231 HB3 CYS 32 2HB CYS 32 -5.511 -1.654 -2.466 232 HG CYS 32 HG CYS 32 -5.909 -3.387 0.450 233 H GLU 33 H GLU 33 -7.662 -4.749 -1.855 234 HA GLU 33 HA GLU 33 -9.230 -3.783 -4.155 235 HB2 GLU 33 1HB GLU 33 -8.785 -6.292 -4.091 236 HB3 GLU 33 2HB GLU 33 -9.810 -6.338 -2.664 237 HG2 GLU 33 1HG GLU 33 -11.705 -5.619 -3.896 238 HG3 GLU 33 2HG GLU 33 -10.720 -5.237 -5.307 239 H LEU 34 H LEU 34 -11.434 -3.265 -3.737 240 HA LEU 34 HA LEU 34 -12.161 -2.981 -0.908 241 HB2 LEU 34 1HB LEU 34 -12.062 -0.833 -2.995 242 HB3 LEU 34 2HB LEU 34 -13.169 -0.717 -1.628 243 HG LEU 34 HG LEU 34 -10.169 -0.945 -1.397 244 HD11 LEU 34 1HD1 LEU 34 -10.064 1.224 -1.831 245 HD12 LEU 34 2HD1 LEU 34 -11.120 1.533 -0.454 246 HD13 LEU 34 3HD1 LEU 34 -11.811 1.295 -2.058 247 HD21 LEU 34 1HD2 LEU 34 -10.799 -0.053 0.945 248 HD22 LEU 34 2HD2 LEU 34 -11.022 -1.768 0.597 249 HD23 LEU 34 3HD2 LEU 34 -12.407 -0.675 0.572 250 H SER 35 H SER 35 -14.559 -1.957 -0.938 251 HA SER 35 HA SER 35 -16.109 -3.735 -2.700 252 HB2 SER 35 1HB SER 35 -16.437 -2.871 0.129 253 HB3 SER 35 2HB SER 35 -17.907 -3.107 -0.816 254 HG SER 35 HG SER 35 -16.964 -5.217 -1.370 255 H ARG 36 H ARG 36 -15.236 -0.576 -2.358 256 HA ARG 36 HA ARG 36 -17.746 0.387 -3.565 257 HB2 ARG 36 1HB ARG 36 -15.731 1.876 -1.876 258 HB3 ARG 36 2HB ARG 36 -17.055 2.649 -2.736 259 HG2 ARG 36 1HG ARG 36 -17.643 0.427 -0.839 260 HG3 ARG 36 2HG ARG 36 -17.292 2.040 -0.216 261 HD2 ARG 36 1HD ARG 36 -19.280 1.739 -2.416 262 HD3 ARG 36 2HD ARG 36 -19.754 1.305 -0.775 263 HE ARG 36 HE ARG 36 -18.716 3.741 -0.410 264 HH11 ARG 36 2HH1 ARG 36 -20.988 2.532 -2.754 265 HH12 ARG 36 1HH1 ARG 36 -21.819 4.043 -2.921 266 HH21 ARG 36 2HH2 ARG 36 -19.802 5.736 -0.620 267 HH22 ARG 36 1HH2 ARG 36 -21.143 5.865 -1.707 268 H VAL 37 H VAL 37 -17.657 1.342 -5.519 269 HA VAL 37 HA VAL 37 -15.153 1.238 -6.964 270 HB VAL 37 HB VAL 37 -17.916 2.064 -7.862 271 HG11 VAL 37 1HG1 VAL 37 -16.899 2.981 -9.618 272 HG12 VAL 37 2HG1 VAL 37 -15.327 2.347 -9.127 273 HG13 VAL 37 3HG1 VAL 37 -16.421 1.349 -10.086 274 HG21 VAL 37 1HG2 VAL 37 -17.340 -0.381 -7.184 275 HG22 VAL 37 2HG2 VAL 37 -18.212 -0.075 -8.686 276 HG23 VAL 37 3HG2 VAL 37 -16.481 -0.412 -8.724 277 H ASP 38 H ASP 38 -14.011 2.949 -7.785 278 HA ASP 38 HA ASP 38 -13.111 5.041 -7.798 279 HB2 ASP 38 1HB ASP 38 -15.303 5.280 -9.154 280 HB3 ASP 38 2HB ASP 38 -15.913 6.133 -7.739 281 H PHE 39 H PHE 39 -13.747 3.808 -5.202 282 HA PHE 39 HA PHE 39 -14.599 5.925 -3.457 283 HB2 PHE 39 1HB PHE 39 -14.698 3.292 -3.162 284 HB3 PHE 39 2HB PHE 39 -13.116 3.545 -2.432 285 HD1 PHE 39 2HD PHE 39 -16.436 5.255 -2.312 286 HD2 PHE 39 1HD PHE 39 -13.156 3.618 -0.149 287 HE1 PHE 39 2HE PHE 39 -17.521 5.886 -0.196 288 HE2 PHE 39 1HE PHE 39 -14.236 4.246 1.971 289 HZ PHE 39 HZ PHE 39 -16.420 5.382 1.949 290 HA PRO 40 HA PRO 40 -10.684 7.932 -3.067 291 HB2 PRO 40 1HB PRO 40 -11.246 9.390 -0.847 292 HB3 PRO 40 2HB PRO 40 -11.882 9.792 -2.447 293 HG2 PRO 40 1HG PRO 40 -13.210 8.343 -0.188 294 HG3 PRO 40 2HG PRO 40 -13.870 9.595 -1.256 295 HD2 PRO 40 1HD PRO 40 -14.387 6.960 -1.606 296 HD3 PRO 40 2HD PRO 40 -14.280 8.100 -2.962 297 H ALA 41 H ALA 41 -8.793 7.600 -1.996 298 HA ALA 41 HA ALA 41 -8.737 6.536 0.686 299 HB1 ALA 41 1HB ALA 41 -7.723 4.452 0.231 300 HB2 ALA 41 2HB ALA 41 -9.129 4.551 -0.830 301 HB3 ALA 41 3HB ALA 41 -7.514 4.842 -1.477 302 H THR 42 H THR 42 -6.358 5.994 1.276 303 HA THR 42 HA THR 42 -4.375 7.483 -0.215 304 HB THR 42 HB THR 42 -5.087 8.335 2.599 305 HG1 THR 42 1HG THR 42 -6.452 9.538 1.501 306 HG21 THR 42 1HG2 THR 42 -2.670 8.578 1.070 307 HG22 THR 42 2HG2 THR 42 -3.007 9.126 2.712 308 HG23 THR 42 3HG2 THR 42 -3.366 10.175 1.341 309 H TRP 43 H TRP 43 -2.345 6.730 0.124 310 HA TRP 43 HA TRP 43 -2.075 4.376 1.787 311 HB2 TRP 43 1HB TRP 43 -0.225 5.742 -0.168 312 HB3 TRP 43 2HB TRP 43 0.259 4.342 0.785 313 HD1 TRP 43 HD TRP 43 -2.097 5.341 -2.076 314 HE1 TRP 43 1HE TRP 43 -2.788 3.211 -3.344 315 HE3 TRP 43 3HE TRP 43 -0.018 1.843 1.019 316 HZ2 TRP 43 2HZ TRP 43 -2.492 0.418 -3.069 317 HZ3 TRP 43 3HZ TRP 43 -0.268 -0.537 0.445 318 HH2 TRP 43 HH TRP 43 -1.480 -1.232 -1.557 319 H TYR 44 H TYR 44 -0.317 4.094 3.303 320 HA TYR 44 HA TYR 44 0.960 6.486 4.341 321 HB2 TYR 44 1HB TYR 44 -0.948 4.841 6.015 322 HB3 TYR 44 2HB TYR 44 0.142 6.067 6.653 323 HD1 TYR 44 1HD TYR 44 -2.854 5.495 4.588 324 HD2 TYR 44 2HD TYR 44 -0.354 8.401 6.435 325 HE1 TYR 44 1HE TYR 44 -4.562 7.217 4.177 326 HE2 TYR 44 2HE TYR 44 -2.055 10.130 6.030 327 HH TYR 44 HH TYR 44 -4.365 9.978 3.919 328 H LYS 45 H LYS 45 2.658 6.031 5.847 329 HA LYS 45 HA LYS 45 3.475 3.207 5.958 330 HB2 LYS 45 1HB LYS 45 4.673 4.737 4.211 331 HB3 LYS 45 2HB LYS 45 5.509 5.385 5.617 332 HG2 LYS 45 1HG LYS 45 6.398 3.217 6.152 333 HG3 LYS 45 2HG LYS 45 5.453 2.471 4.861 334 HD2 LYS 45 1HD LYS 45 6.820 3.270 3.212 335 HD3 LYS 45 2HD LYS 45 7.282 4.699 4.138 336 HE2 LYS 45 1HE LYS 45 8.431 2.911 5.690 337 HE3 LYS 45 2HE LYS 45 8.386 1.932 4.224 338 HZ1 LYS 45 1HZ LYS 45 9.323 4.366 3.402 339 HZ2 LYS 45 2HZ LYS 45 10.247 2.972 3.652 340 HZ3 LYS 45 3HZ LYS 45 10.095 4.118 4.886 341 H ASP 46 H ASP 46 4.550 2.560 7.805 342 HA ASP 46 HA ASP 46 4.760 2.548 10.095 343 HB2 ASP 46 1HB ASP 46 6.442 4.832 9.106 344 HB3 ASP 46 2HB ASP 46 6.389 4.438 10.822 345 H GLY 47 H GLY 47 2.442 4.103 9.028 346 HA2 GLY 47 1HA GLY 47 0.677 5.108 10.169 347 HA3 GLY 47 2HA GLY 47 1.748 5.379 11.536 348 H GLN 48 H GLN 48 2.383 6.363 8.215 349 HA GLN 48 HA GLN 48 1.801 9.145 8.895 350 HB2 GLN 48 1HB GLN 48 3.921 9.960 8.534 351 HB3 GLN 48 2HB GLN 48 4.297 8.412 9.279 352 HG2 GLN 48 1HG GLN 48 4.768 7.431 7.145 353 HG3 GLN 48 2HG GLN 48 4.217 8.883 6.310 354 HE21 GLN 48 1HE2 GLN 48 5.448 10.846 6.645 355 HE22 GLN 48 2HE2 GLN 48 7.147 10.740 6.942 356 H LYS 49 H LYS 49 1.831 10.571 6.987 357 HA LYS 49 HA LYS 49 0.503 9.313 4.785 358 HB2 LYS 49 1HB LYS 49 -0.127 11.554 5.606 359 HB3 LYS 49 2HB LYS 49 1.441 12.171 5.102 360 HG2 LYS 49 1HG LYS 49 0.886 11.584 2.771 361 HG3 LYS 49 2HG LYS 49 -0.714 11.070 3.310 362 HD2 LYS 49 1HD LYS 49 -0.789 13.477 4.354 363 HD3 LYS 49 2HD LYS 49 0.447 13.814 3.140 364 HE2 LYS 49 1HE LYS 49 -1.292 12.580 1.568 365 HE3 LYS 49 2HE LYS 49 -2.427 13.131 2.800 366 HZ1 LYS 49 1HZ LYS 49 -2.137 15.289 2.236 367 HZ2 LYS 49 2HZ LYS 49 -1.763 14.612 0.732 368 HZ3 LYS 49 3HZ LYS 49 -0.521 15.089 1.776 369 H VAL 50 H VAL 50 1.342 8.604 2.933 370 HA VAL 50 HA VAL 50 4.184 8.728 2.507 371 HB VAL 50 HB VAL 50 3.812 7.303 0.596 372 HG11 VAL 50 1HG1 VAL 50 1.885 5.865 2.109 373 HG12 VAL 50 2HG1 VAL 50 3.628 5.608 2.017 374 HG13 VAL 50 3HG1 VAL 50 2.960 6.697 3.232 375 HG21 VAL 50 1HG2 VAL 50 1.551 6.678 -0.128 376 HG22 VAL 50 2HG2 VAL 50 0.871 7.831 1.020 377 HG23 VAL 50 3HG2 VAL 50 1.850 8.404 -0.330 378 H GLU 51 H GLU 51 5.298 9.905 1.031 379 HA GLU 51 HA GLU 51 4.002 12.214 -0.082 380 HB2 GLU 51 1HB GLU 51 6.473 11.855 0.839 381 HB3 GLU 51 2HB GLU 51 6.785 11.482 -0.850 382 HG2 GLU 51 1HG GLU 51 5.454 13.744 -1.206 383 HG3 GLU 51 2HG GLU 51 6.048 14.051 0.424 384 H GLU 52 H GLU 52 3.179 12.437 -2.055 385 HA GLU 52 HA GLU 52 3.409 10.236 -3.937 386 HB2 GLU 52 1HB GLU 52 1.649 12.648 -3.707 387 HB3 GLU 52 2HB GLU 52 1.787 11.819 -5.251 388 HG2 GLU 52 1HG GLU 52 0.905 9.815 -4.362 389 HG3 GLU 52 2HG GLU 52 1.047 10.406 -2.708 390 H SER 53 H SER 53 5.059 10.209 -5.304 391 HA SER 53 HA SER 53 5.613 12.489 -6.972 392 HB2 SER 53 1HB SER 53 6.973 12.717 -4.753 393 HB3 SER 53 2HB SER 53 7.983 11.450 -5.449 394 HG SER 53 HG SER 53 8.915 13.050 -6.441 395 H GLU 54 H GLU 54 7.871 11.840 -8.201 396 HA GLU 54 HA GLU 54 7.203 9.748 -9.898 397 HB2 GLU 54 1HB GLU 54 9.375 9.983 -10.860 398 HB3 GLU 54 2HB GLU 54 8.855 11.585 -10.356 399 HG2 GLU 54 1HG GLU 54 10.203 11.301 -8.286 400 HG3 GLU 54 2HG GLU 54 10.817 9.790 -8.953 401 H LEU 55 H LEU 55 9.200 9.747 -6.996 402 HA LEU 55 HA LEU 55 10.091 7.048 -7.305 403 HB2 LEU 55 1HB LEU 55 10.082 8.934 -4.960 404 HB3 LEU 55 2HB LEU 55 10.766 7.311 -4.896 405 HG LEU 55 HG LEU 55 11.715 9.532 -6.706 406 HD11 LEU 55 1HD1 LEU 55 12.085 9.499 -4.061 407 HD12 LEU 55 2HD1 LEU 55 13.307 10.074 -5.194 408 HD13 LEU 55 3HD1 LEU 55 13.408 8.438 -4.544 409 HD21 LEU 55 1HD2 LEU 55 12.360 6.656 -6.454 410 HD22 LEU 55 2HD2 LEU 55 13.718 7.763 -6.658 411 HD23 LEU 55 3HD2 LEU 55 12.428 7.718 -7.861 412 H LEU 56 H LEU 56 7.215 8.506 -6.182 413 HA LEU 56 HA LEU 56 6.285 5.898 -5.196 414 HB2 LEU 56 1HB LEU 56 6.798 7.563 -3.356 415 HB3 LEU 56 2HB LEU 56 5.453 8.518 -3.977 416 HG LEU 56 HG LEU 56 4.945 5.677 -3.250 417 HD11 LEU 56 1HD1 LEU 56 6.274 6.548 -1.377 418 HD12 LEU 56 2HD1 LEU 56 4.596 6.252 -0.923 419 HD13 LEU 56 3HD1 LEU 56 5.150 7.899 -1.223 420 HD21 LEU 56 1HD2 LEU 56 3.415 7.823 -4.094 421 HD22 LEU 56 2HD2 LEU 56 3.099 7.728 -2.361 422 HD23 LEU 56 3HD2 LEU 56 2.818 6.321 -3.388 423 H VAL 57 H VAL 57 4.965 5.298 -6.811 424 HA VAL 57 HA VAL 57 3.079 7.264 -7.907 425 HB VAL 57 HB VAL 57 3.497 4.490 -8.989 426 HG11 VAL 57 1HG1 VAL 57 2.998 6.718 -10.809 427 HG12 VAL 57 2HG1 VAL 57 2.199 5.149 -10.689 428 HG13 VAL 57 3HG1 VAL 57 1.713 6.471 -9.627 429 HG21 VAL 57 1HG2 VAL 57 5.361 6.738 -9.032 430 HG22 VAL 57 2HG2 VAL 57 5.631 5.035 -9.402 431 HG23 VAL 57 3HG2 VAL 57 4.971 6.111 -10.633 432 H VAL 58 H VAL 58 0.970 7.169 -7.467 433 HA VAL 58 HA VAL 58 -0.063 4.745 -6.142 434 HB VAL 58 HB VAL 58 -0.858 7.619 -5.656 435 HG11 VAL 58 1HG1 VAL 58 -2.862 6.452 -5.446 436 HG12 VAL 58 2HG1 VAL 58 -2.073 5.027 -4.767 437 HG13 VAL 58 3HG1 VAL 58 -2.238 6.492 -3.798 438 HG21 VAL 58 1HG2 VAL 58 -0.144 6.912 -3.280 439 HG22 VAL 58 2HG2 VAL 58 0.710 5.599 -4.092 440 HG23 VAL 58 3HG2 VAL 58 1.112 7.275 -4.464 441 H LYS 59 H LYS 59 -1.328 3.683 -7.515 442 HA LYS 59 HA LYS 59 -2.930 5.184 -9.457 443 HB2 LYS 59 1HB LYS 59 -2.344 2.221 -9.301 444 HB3 LYS 59 2HB LYS 59 -3.233 3.024 -10.589 445 HG2 LYS 59 1HG LYS 59 -0.454 3.899 -9.951 446 HG3 LYS 59 2HG LYS 59 -0.720 2.435 -10.900 447 HD2 LYS 59 1HD LYS 59 -2.009 3.699 -12.528 448 HD3 LYS 59 2HD LYS 59 -1.828 5.164 -11.560 449 HE2 LYS 59 1HE LYS 59 0.501 5.258 -11.973 450 HE3 LYS 59 2HE LYS 59 0.523 3.623 -12.631 451 HZ1 LYS 59 1HZ LYS 59 -0.108 6.110 -13.927 452 HZ2 LYS 59 2HZ LYS 59 -1.247 4.897 -14.229 453 HZ3 LYS 59 3HZ LYS 59 0.384 4.636 -14.597 454 H MET 60 H MET 60 -5.153 4.932 -9.634 455 HA MET 60 HA MET 60 -6.494 3.349 -7.561 456 HB2 MET 60 1HB MET 60 -6.468 5.550 -6.627 457 HB3 MET 60 2HB MET 60 -6.956 6.271 -8.155 458 HG2 MET 60 1HG MET 60 -9.080 4.808 -7.864 459 HG3 MET 60 2HG MET 60 -8.586 4.750 -6.174 460 HE1 MET 60 1HE MET 60 -11.394 6.109 -7.514 461 HE2 MET 60 2HE MET 60 -11.178 7.804 -7.951 462 HE3 MET 60 3HE MET 60 -10.377 6.542 -8.889 463 H ASP 61 H ASP 61 -7.728 1.947 -8.614 464 HA ASP 61 HA ASP 61 -9.292 2.911 -10.915 465 HB2 ASP 61 1HB ASP 61 -7.557 0.499 -10.676 466 HB3 ASP 61 2HB ASP 61 -9.050 0.350 -11.600 467 H GLY 62 H GLY 62 -11.402 2.760 -10.564 468 HA2 GLY 62 1HA GLY 62 -13.360 2.248 -9.437 469 HA3 GLY 62 2HA GLY 62 -12.911 0.619 -9.921 470 H ARG 63 H ARG 63 -12.741 -0.825 -8.347 471 HA ARG 63 HA ARG 63 -12.398 0.160 -5.595 472 HB2 ARG 63 1HB ARG 63 -13.306 -2.264 -5.117 473 HB3 ARG 63 2HB ARG 63 -14.408 -0.957 -5.532 474 HG2 ARG 63 1HG ARG 63 -14.882 -1.818 -7.589 475 HG3 ARG 63 2HG ARG 63 -13.316 -2.620 -7.736 476 HD2 ARG 63 1HD ARG 63 -14.269 -4.014 -5.689 477 HD3 ARG 63 2HD ARG 63 -15.808 -3.530 -6.400 478 HE ARG 63 HE ARG 63 -14.055 -4.587 -8.368 479 HH11 ARG 63 2HH1 ARG 63 -16.167 -5.506 -5.758 480 HH12 ARG 63 1HH1 ARG 63 -16.505 -7.075 -6.410 481 HH21 ARG 63 2HH2 ARG 63 -14.491 -6.651 -9.237 482 HH22 ARG 63 1HH2 ARG 63 -15.550 -7.725 -8.389 483 H LYS 64 H LYS 64 -10.115 -0.078 -7.122 484 HA LYS 64 HA LYS 64 -8.709 -2.168 -5.657 485 HB2 LYS 64 1HB LYS 64 -8.761 -1.953 -8.664 486 HB3 LYS 64 2HB LYS 64 -7.466 -2.774 -7.802 487 HG2 LYS 64 1HG LYS 64 -9.073 -4.329 -6.840 488 HG3 LYS 64 2HG LYS 64 -10.388 -3.495 -7.673 489 HD2 LYS 64 1HD LYS 64 -9.683 -4.228 -9.772 490 HD3 LYS 64 2HD LYS 64 -8.057 -4.605 -9.198 491 HE2 LYS 64 1HE LYS 64 -9.271 -6.339 -7.696 492 HE3 LYS 64 2HE LYS 64 -10.601 -6.141 -8.835 493 HZ1 LYS 64 1HZ LYS 64 -9.105 -6.759 -10.631 494 HZ2 LYS 64 2HZ LYS 64 -9.174 -7.981 -9.463 495 HZ3 LYS 64 3HZ LYS 64 -7.831 -6.955 -9.535 496 H HIS 65 H HIS 65 -7.096 -1.170 -4.665 497 HA HIS 65 HA HIS 65 -5.757 1.063 -6.046 498 HB2 HIS 65 1HB HIS 65 -5.989 0.624 -3.062 499 HB3 HIS 65 2HB HIS 65 -5.255 2.011 -3.861 500 HD1 HIS 65 1HD HIS 65 -6.737 3.975 -3.834 501 HD2 HIS 65 2HD HIS 65 -8.897 0.432 -4.021 502 HE1 HIS 65 1HE HIS 65 -9.155 4.663 -3.850 503 HE2 HIS 65 2HE HIS 65 -10.445 2.499 -3.877 504 H ARG 66 H ARG 66 -3.563 1.067 -6.199 505 HA ARG 66 HA ARG 66 -2.003 -0.911 -4.742 506 HB2 ARG 66 1HB ARG 66 -0.895 -1.628 -6.911 507 HB3 ARG 66 2HB ARG 66 -2.524 -2.230 -6.636 508 HG2 ARG 66 1HG ARG 66 -3.433 -0.939 -8.297 509 HG3 ARG 66 2HG ARG 66 -2.163 0.282 -8.191 510 HD2 ARG 66 1HD ARG 66 -0.575 -1.353 -9.163 511 HD3 ARG 66 2HD ARG 66 -1.911 -2.488 -9.357 512 HE ARG 66 HE ARG 66 -1.303 -0.242 -11.022 513 HH11 ARG 66 2HH1 ARG 66 -3.871 -2.277 -9.845 514 HH12 ARG 66 1HH1 ARG 66 -4.904 -1.982 -11.204 515 HH21 ARG 66 2HH2 ARG 66 -2.654 0.155 -12.816 516 HH22 ARG 66 1HH2 ARG 66 -4.211 -0.599 -12.894 517 H LEU 67 H LEU 67 0.115 -0.325 -4.443 518 HA LEU 67 HA LEU 67 0.839 2.350 -5.423 519 HB2 LEU 67 1HB LEU 67 0.677 1.787 -2.921 520 HB3 LEU 67 2HB LEU 67 2.182 0.903 -3.164 521 HG LEU 67 HG LEU 67 1.800 3.854 -3.665 522 HD11 LEU 67 1HD1 LEU 67 3.085 2.377 -1.376 523 HD12 LEU 67 2HD1 LEU 67 1.661 3.413 -1.308 524 HD13 LEU 67 3HD1 LEU 67 3.241 4.109 -1.667 525 HD21 LEU 67 1HD2 LEU 67 4.394 3.647 -3.575 526 HD22 LEU 67 2HD2 LEU 67 3.533 3.261 -5.066 527 HD23 LEU 67 3HD2 LEU 67 4.088 1.964 -4.006 528 H ILE 68 H ILE 68 2.352 2.496 -6.931 529 HA ILE 68 HA ILE 68 4.090 0.187 -7.424 530 HB ILE 68 HB ILE 68 3.197 2.481 -9.137 531 HG12 ILE 68 1HG1 ILE 68 3.384 -0.410 -9.920 532 HG13 ILE 68 2HG1 ILE 68 2.062 0.137 -8.894 533 HG21 ILE 68 1HG2 ILE 68 5.567 0.687 -9.636 534 HG22 ILE 68 2HG2 ILE 68 4.806 1.699 -10.863 535 HG23 ILE 68 3HG2 ILE 68 5.575 2.442 -9.461 536 HD11 ILE 68 1HD1 ILE 68 2.707 1.027 -11.689 537 HD12 ILE 68 2HD1 ILE 68 1.283 0.150 -11.127 538 HD13 ILE 68 3HD1 ILE 68 1.526 1.832 -10.656 539 H LEU 69 H LEU 69 6.330 0.409 -7.658 540 HA LEU 69 HA LEU 69 7.502 2.968 -6.835 541 HB2 LEU 69 1HB LEU 69 7.741 0.338 -5.478 542 HB3 LEU 69 2HB LEU 69 9.180 1.352 -5.560 543 HG LEU 69 HG LEU 69 6.580 2.373 -4.450 544 HD11 LEU 69 1HD1 LEU 69 8.264 0.343 -3.331 545 HD12 LEU 69 2HD1 LEU 69 6.780 1.045 -2.687 546 HD13 LEU 69 3HD1 LEU 69 8.336 1.799 -2.339 547 HD21 LEU 69 1HD2 LEU 69 8.926 3.636 -5.100 548 HD22 LEU 69 2HD2 LEU 69 9.126 3.313 -3.378 549 HD23 LEU 69 3HD2 LEU 69 7.727 4.224 -3.948 550 HA PRO 70 HA PRO 70 9.950 1.934 -10.417 551 HB2 PRO 70 1HB PRO 70 11.440 4.203 -10.386 552 HB3 PRO 70 2HB PRO 70 9.778 4.153 -10.985 553 HG2 PRO 70 1HG PRO 70 10.805 5.050 -8.320 554 HG3 PRO 70 2HG PRO 70 9.572 5.797 -9.353 555 HD2 PRO 70 1HD PRO 70 8.945 4.273 -7.205 556 HD3 PRO 70 2HD PRO 70 7.927 4.340 -8.658 557 H GLU 71 H GLU 71 11.314 3.089 -7.358 558 HA GLU 71 HA GLU 71 13.502 1.172 -7.672 559 HB2 GLU 71 1HB GLU 71 14.153 3.570 -8.382 560 HB3 GLU 71 2HB GLU 71 14.074 3.947 -6.667 561 HG2 GLU 71 1HG GLU 71 15.655 1.867 -6.459 562 HG3 GLU 71 2HG GLU 71 16.002 2.235 -8.147 563 H ALA 72 H ALA 72 13.074 -0.154 -6.019 564 HA ALA 72 HA ALA 72 11.982 0.783 -3.531 565 HB1 ALA 72 1HB ALA 72 11.310 -1.324 -3.393 566 HB2 ALA 72 2HB ALA 72 12.210 -1.705 -4.862 567 HB3 ALA 72 3HB ALA 72 12.985 -1.868 -3.286 568 H LYS 73 H LYS 73 13.397 2.113 -2.482 569 HA LYS 73 HA LYS 73 16.168 1.341 -2.130 570 HB2 LYS 73 1HB LYS 73 14.634 3.700 -1.021 571 HB3 LYS 73 2HB LYS 73 16.375 3.473 -0.918 572 HG2 LYS 73 1HG LYS 73 16.584 3.641 -3.313 573 HG3 LYS 73 2HG LYS 73 14.830 3.727 -3.491 574 HD2 LYS 73 1HD LYS 73 16.160 5.721 -1.729 575 HD3 LYS 73 2HD LYS 73 16.342 5.903 -3.476 576 HE2 LYS 73 1HE LYS 73 14.441 7.186 -2.727 577 HE3 LYS 73 2HE LYS 73 13.885 5.828 -3.705 578 HZ1 LYS 73 1HZ LYS 73 12.980 4.782 -1.907 579 HZ2 LYS 73 2HZ LYS 73 12.755 6.391 -1.437 580 HZ3 LYS 73 3HZ LYS 73 14.038 5.495 -0.795 581 H VAL 74 H VAL 74 17.154 1.296 0.032 582 HA VAL 74 HA VAL 74 16.000 -0.597 1.703 583 HB VAL 74 HB VAL 74 18.080 1.471 2.427 584 HG11 VAL 74 1HG1 VAL 74 16.757 -0.537 4.002 585 HG12 VAL 74 2HG1 VAL 74 18.482 -0.889 3.878 586 HG13 VAL 74 3HG1 VAL 74 17.941 0.672 4.496 587 HG21 VAL 74 1HG2 VAL 74 18.930 -1.281 1.955 588 HG22 VAL 74 2HG2 VAL 74 18.252 -0.499 0.528 589 HG23 VAL 74 3HG2 VAL 74 19.617 0.234 1.369 590 H GLN 75 H GLN 75 15.605 2.854 1.635 591 HA GLN 75 HA GLN 75 14.542 3.136 4.263 592 HB2 GLN 75 1HB GLN 75 14.136 4.932 1.866 593 HB3 GLN 75 2HB GLN 75 13.871 5.363 3.550 594 HG2 GLN 75 1HG GLN 75 16.265 5.050 3.991 595 HG3 GLN 75 2HG GLN 75 16.514 4.674 2.287 596 HE21 GLN 75 1HE2 GLN 75 17.472 6.875 4.087 597 HE22 GLN 75 2HE2 GLN 75 17.091 8.328 3.234 598 H ASP 76 H ASP 76 13.142 2.590 1.076 599 HA ASP 76 HA ASP 76 10.446 2.970 1.749 600 HB2 ASP 76 1HB ASP 76 11.909 1.561 -0.429 601 HB3 ASP 76 2HB ASP 76 10.204 1.175 -0.211 602 H SER 77 H SER 77 12.596 0.643 2.831 603 HA SER 77 HA SER 77 10.886 -1.616 3.017 604 HB2 SER 77 1HB SER 77 13.142 -1.114 4.937 605 HB3 SER 77 2HB SER 77 12.601 -2.638 4.234 606 HG SER 77 HG SER 77 13.323 -1.048 2.244 607 H GLY 78 H GLY 78 8.963 -1.337 4.007 608 HA2 GLY 78 1HA GLY 78 8.850 -1.183 6.828 609 HA3 GLY 78 2HA GLY 78 8.405 0.372 6.141 610 H GLU 79 H GLU 79 6.390 -0.299 7.381 611 HA GLU 79 HA GLU 79 4.717 -2.201 5.936 612 HB2 GLU 79 1HB GLU 79 4.636 -2.389 8.328 613 HB3 GLU 79 2HB GLU 79 4.310 -0.671 8.506 614 HG2 GLU 79 1HG GLU 79 2.406 -2.359 6.961 615 HG3 GLU 79 2HG GLU 79 2.391 -2.424 8.722 616 H PHE 80 H PHE 80 2.987 -1.666 4.709 617 HA PHE 80 HA PHE 80 2.468 1.209 4.332 618 HB2 PHE 80 1HB PHE 80 2.500 -1.087 2.396 619 HB3 PHE 80 2HB PHE 80 1.567 0.364 2.044 620 HD1 PHE 80 1HD PHE 80 4.992 -0.725 3.008 621 HD2 PHE 80 2HD PHE 80 2.586 2.147 0.989 622 HE1 PHE 80 1HE PHE 80 7.022 0.362 2.142 623 HE2 PHE 80 2HE PHE 80 4.612 3.238 0.119 624 HZ PHE 80 HZ PHE 80 6.834 2.345 0.694 625 H GLU 81 H GLU 81 0.396 1.954 4.378 626 HA GLU 81 HA GLU 81 -1.743 -0.021 4.803 627 HB2 GLU 81 1HB GLU 81 -0.861 1.217 6.906 628 HB3 GLU 81 2HB GLU 81 -1.714 2.609 6.253 629 HG2 GLU 81 1HG GLU 81 -3.694 0.858 6.106 630 HG3 GLU 81 2HG GLU 81 -2.779 0.097 7.406 631 H CYS 82 H CYS 82 -3.746 0.482 3.958 632 HA CYS 82 HA CYS 82 -3.841 2.887 2.257 633 HB2 CYS 82 1HB CYS 82 -3.714 0.844 0.919 634 HB3 CYS 82 2HB CYS 82 -5.104 0.181 1.770 635 HG CYS 82 HG CYS 82 -5.383 3.090 0.017 636 H ARG 83 H ARG 83 -4.778 4.050 4.029 637 HA ARG 83 HA ARG 83 -7.342 3.190 5.058 638 HB2 ARG 83 1HB ARG 83 -5.751 4.339 6.529 639 HB3 ARG 83 2HB ARG 83 -5.803 5.757 5.489 640 HG2 ARG 83 1HG ARG 83 -8.375 5.642 5.994 641 HG3 ARG 83 2HG ARG 83 -7.832 4.733 7.406 642 HD2 ARG 83 1HD ARG 83 -6.225 6.653 7.834 643 HD3 ARG 83 2HD ARG 83 -7.138 7.552 6.623 644 HE ARG 83 HE ARG 83 -9.051 6.697 8.334 645 HH11 ARG 83 2HH1 ARG 83 -6.048 8.407 8.757 646 HH12 ARG 83 1HH1 ARG 83 -6.591 9.280 10.153 647 HH21 ARG 83 2HH2 ARG 83 -9.777 7.839 10.170 648 HH22 ARG 83 1HH2 ARG 83 -8.712 8.955 10.956 649 H THR 84 H THR 84 -9.318 4.205 4.715 650 HA THR 84 HA THR 84 -9.422 6.165 2.524 651 HB THR 84 HB THR 84 -10.163 4.394 1.285 652 HG1 THR 84 1HG THR 84 -12.551 5.014 2.717 653 HG21 THR 84 1HG2 THR 84 -10.110 2.451 2.416 654 HG22 THR 84 2HG2 THR 84 -11.835 2.724 2.664 655 HG23 THR 84 3HG2 THR 84 -10.679 3.197 3.909 656 H GLU 85 H GLU 85 -11.924 4.515 4.435 657 HA GLU 85 HA GLU 85 -12.785 7.159 5.413 658 HB2 GLU 85 1HB GLU 85 -14.304 4.844 4.338 659 HB3 GLU 85 2HB GLU 85 -15.029 5.715 5.682 660 HG2 GLU 85 1HG GLU 85 -14.438 7.806 4.186 661 HG3 GLU 85 2HG GLU 85 -14.514 6.603 2.900 662 H GLY 86 H GLY 86 -13.357 3.739 6.272 663 HA2 GLY 86 1HA GLY 86 -12.620 4.433 9.047 664 HA3 GLY 86 2HA GLY 86 -14.038 3.460 8.689 665 H VAL 87 H VAL 87 -12.148 2.382 6.402 666 HA VAL 87 HA VAL 87 -10.771 0.423 8.124 667 HB VAL 87 HB VAL 87 -11.166 -1.282 6.416 668 HG11 VAL 87 1HG1 VAL 87 -12.995 -1.790 7.566 669 HG12 VAL 87 2HG1 VAL 87 -13.119 -0.114 8.106 670 HG13 VAL 87 3HG1 VAL 87 -13.925 -0.626 6.622 671 HG21 VAL 87 1HG2 VAL 87 -11.355 0.527 4.576 672 HG22 VAL 87 2HG2 VAL 87 -12.331 -0.936 4.438 673 HG23 VAL 87 3HG2 VAL 87 -13.063 0.561 5.014 674 H SER 88 H SER 88 -8.906 -0.641 7.106 675 HA SER 88 HA SER 88 -7.683 0.698 4.848 676 HB2 SER 88 1HB SER 88 -5.996 0.608 7.316 677 HB3 SER 88 2HB SER 88 -5.886 1.682 5.921 678 HG SER 88 HG SER 88 -6.718 2.894 7.557 679 H ALA 89 H ALA 89 -5.499 -0.297 4.357 680 HA ALA 89 HA ALA 89 -5.641 -3.183 4.914 681 HB1 ALA 89 1HB ALA 89 -4.430 -1.694 2.590 682 HB2 ALA 89 2HB ALA 89 -4.296 -3.436 2.839 683 HB3 ALA 89 3HB ALA 89 -5.878 -2.701 2.577 684 H PHE 90 H PHE 90 -3.298 -4.180 4.488 685 HA PHE 90 HA PHE 90 -1.193 -2.575 5.678 686 HB2 PHE 90 1HB PHE 90 -2.356 -5.013 7.022 687 HB3 PHE 90 2HB PHE 90 -0.744 -4.407 7.387 688 HD1 PHE 90 1HD PHE 90 -4.332 -3.791 7.691 689 HD2 PHE 90 2HD PHE 90 -0.434 -2.340 8.597 690 HE1 PHE 90 1HE PHE 90 -5.299 -2.217 9.315 691 HE2 PHE 90 2HE PHE 90 -1.395 -0.764 10.224 692 HZ PHE 90 HZ PHE 90 -3.831 -0.701 10.585 693 H PHE 91 H PHE 91 0.770 -3.127 4.926 694 HA PHE 91 HA PHE 91 1.162 -5.776 3.750 695 HB2 PHE 91 1HB PHE 91 1.798 -3.200 2.296 696 HB3 PHE 91 2HB PHE 91 2.154 -4.825 1.720 697 HD1 PHE 91 2HD PHE 91 -0.554 -2.444 2.479 698 HD2 PHE 91 1HD PHE 91 0.503 -6.144 0.660 699 HE1 PHE 91 2HE PHE 91 -2.761 -2.538 1.397 700 HE2 PHE 91 1HE PHE 91 -1.703 -6.244 -0.426 701 HZ PHE 91 HZ PHE 91 -3.339 -4.440 -0.057 702 H GLY 92 H GLY 92 3.095 -6.623 4.230 703 HA2 GLY 92 1HA GLY 92 5.006 -4.911 5.649 704 HA3 GLY 92 2HA GLY 92 4.968 -6.668 5.685 705 H VAL 93 H VAL 93 6.028 -3.848 3.936 706 HA VAL 93 HA VAL 93 7.375 -5.479 1.923 707 HB VAL 93 HB VAL 93 7.251 -2.472 2.198 708 HG11 VAL 93 1HG1 VAL 93 8.705 -2.313 0.521 709 HG12 VAL 93 2HG1 VAL 93 9.034 -4.033 0.741 710 HG13 VAL 93 3HG1 VAL 93 7.830 -3.508 -0.436 711 HG21 VAL 93 1HG2 VAL 93 5.392 -4.422 1.122 712 HG22 VAL 93 2HG2 VAL 93 5.165 -2.702 1.439 713 HG23 VAL 93 3HG2 VAL 93 5.880 -3.231 -0.084 714 H THR 94 H THR 94 9.510 -5.866 1.890 715 HA THR 94 HA THR 94 11.258 -4.354 3.700 716 HB THR 94 HB THR 94 10.961 -7.348 3.606 717 HG1 THR 94 1HG THR 94 11.220 -6.711 6.014 718 HG21 THR 94 1HG2 THR 94 13.031 -7.167 5.218 719 HG22 THR 94 2HG2 THR 94 13.367 -5.714 4.275 720 HG23 THR 94 3HG2 THR 94 13.258 -7.281 3.473 721 H VAL 95 H VAL 95 12.994 -3.628 2.668 722 HA VAL 95 HA VAL 95 13.758 -4.905 0.132 723 HB VAL 95 HB VAL 95 14.598 -2.169 1.079 724 HG11 VAL 95 1HG1 VAL 95 16.002 -2.526 -0.651 725 HG12 VAL 95 2HG1 VAL 95 14.984 -3.783 -1.357 726 HG13 VAL 95 3HG1 VAL 95 14.593 -2.082 -1.614 727 HG21 VAL 95 1HG2 VAL 95 12.040 -2.659 0.770 728 HG22 VAL 95 2HG2 VAL 95 12.755 -1.182 0.123 729 HG23 VAL 95 3HG2 VAL 95 12.441 -2.551 -0.944 730 H GLN 96 H GLN 96 15.659 -5.906 -0.058 731 HA GLN 96 HA GLN 96 17.698 -5.435 2.014 732 HB2 GLN 96 1HB GLN 96 16.915 -8.064 0.746 733 HB3 GLN 96 2HB GLN 96 18.315 -7.841 1.787 734 HG2 GLN 96 1HG GLN 96 17.008 -7.479 3.677 735 HG3 GLN 96 2HG GLN 96 15.565 -7.129 2.726 736 HE21 GLN 96 1HE2 GLN 96 15.057 -8.796 4.607 737 HE22 GLN 96 2HE2 GLN 96 14.990 -10.438 4.075 738 H ASP 97 H ASP 97 19.401 -4.489 1.124 739 HA ASP 97 HA ASP 97 19.923 -4.354 -1.626 740 HB2 ASP 97 1HB ASP 97 21.995 -3.294 -1.039 741 HB3 ASP 97 2HB ASP 97 20.778 -2.766 0.120 742 HA PRO 98 HA PRO 98 21.732 -8.310 -2.406 743 HB2 PRO 98 1HB PRO 98 22.815 -7.735 -4.828 744 HB3 PRO 98 2HB PRO 98 21.083 -7.995 -4.587 745 HG2 PRO 98 1HG PRO 98 22.600 -5.423 -4.805 746 HG3 PRO 98 2HG PRO 98 21.046 -5.871 -5.533 747 HD2 PRO 98 1HD PRO 98 21.224 -4.343 -3.304 748 HD3 PRO 98 2HD PRO 98 19.875 -5.461 -3.591 749 H SER 99 H SER 99 23.979 -8.984 -3.537 750 HA SER 99 HA SER 99 26.108 -7.414 -2.240 751 HB2 SER 99 1HB SER 99 25.819 -10.426 -2.317 752 HB3 SER 99 2HB SER 99 27.258 -9.578 -1.751 753 HG SER 99 HG SER 99 25.492 -10.258 -0.183 754 H GLY 100 H GLY 100 26.470 -6.426 -4.302 755 HA2 GLY 100 1HA GLY 100 27.038 -7.876 -6.657 756 HA3 GLY 100 2HA GLY 100 27.509 -6.213 -6.339 757 HA PRO 101 HA PRO 101 31.310 -8.915 -6.575 758 HB2 PRO 101 1HB PRO 101 32.576 -7.423 -8.457 759 HB3 PRO 101 2HB PRO 101 31.460 -8.733 -8.860 760 HG2 PRO 101 1HG PRO 101 30.970 -5.780 -8.788 761 HG3 PRO 101 2HG PRO 101 30.446 -6.972 -9.992 762 HD2 PRO 101 1HD PRO 101 28.799 -6.036 -8.058 763 HD3 PRO 101 2HD PRO 101 28.676 -7.686 -8.701 764 H SER 102 H SER 102 30.910 -5.395 -6.586 765 HA SER 102 HA SER 102 33.051 -5.219 -4.579 766 HB2 SER 102 1HB SER 102 32.690 -3.452 -7.006 767 HB3 SER 102 2HB SER 102 33.716 -3.022 -5.638 768 HG SER 102 HG SER 102 35.077 -4.031 -6.988 769 H SER 103 H SER 103 32.758 -3.702 -2.971 770 HA SER 103 HA SER 103 30.057 -2.938 -2.446 771 HB2 SER 103 1HB SER 103 30.850 -2.153 -0.343 772 HB3 SER 103 2HB SER 103 31.815 -3.580 -0.717 773 HG SER 103 HG SER 103 33.519 -2.283 -1.259 774 H GLY 104 H GLY 104 29.083 -0.971 -2.577 775 HA2 GLY 104 1HA GLY 104 28.735 1.219 -3.180 776 HA3 GLY 104 2HA GLY 104 30.450 1.487 -2.905
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