NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
462026 | 2e6q | 11221 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -16.136 9.108 -3.638 2 HA2 GLY 1 1HA GLY 1 -18.280 10.788 -4.446 3 HA3 GLY 1 2HA GLY 1 -18.003 9.534 -5.647 4 H SER 2 H SER 2 -19.619 10.320 -2.830 5 HA SER 2 HA SER 2 -20.095 7.481 -2.199 6 HB2 SER 2 1HB SER 2 -20.775 8.256 0.058 7 HB3 SER 2 2HB SER 2 -19.102 8.670 -0.316 8 HG SER 2 HG SER 2 -20.311 10.412 0.620 9 H SER 3 H SER 3 -21.790 7.071 -3.564 10 HA SER 3 HA SER 3 -23.999 8.849 -3.883 11 HB2 SER 3 1HB SER 3 -25.025 7.011 -5.151 12 HB3 SER 3 2HB SER 3 -23.350 7.257 -5.644 13 HG SER 3 HG SER 3 -23.742 5.058 -5.345 14 H GLY 4 H GLY 4 -23.632 5.706 -2.239 15 HA2 GLY 4 1HA GLY 4 -26.120 6.279 -0.767 16 HA3 GLY 4 2HA GLY 4 -25.435 4.679 -1.010 17 H SER 5 H SER 5 -26.006 4.882 1.433 18 HA SER 5 HA SER 5 -24.430 6.371 3.184 19 HB2 SER 5 1HB SER 5 -25.709 3.656 3.572 20 HB3 SER 5 2HB SER 5 -25.018 4.622 4.875 21 HG SER 5 HG SER 5 -27.260 5.200 3.253 22 H SER 6 H SER 6 -22.270 6.427 2.889 23 HA SER 6 HA SER 6 -20.829 3.859 2.831 24 HB2 SER 6 1HB SER 6 -20.605 5.583 0.897 25 HB3 SER 6 2HB SER 6 -19.594 6.480 2.029 26 HG SER 6 HG SER 6 -18.489 4.940 0.607 27 H GLY 7 H GLY 7 -21.799 5.039 5.249 28 HA2 GLY 7 1HA GLY 7 -20.001 6.594 6.667 29 HA3 GLY 7 2HA GLY 7 -21.050 5.385 7.392 30 H THR 8 H THR 8 -20.189 3.038 6.876 31 HA THR 8 HA THR 8 -17.274 2.935 7.083 32 HB THR 8 HB THR 8 -17.318 1.485 9.038 33 HG1 THR 8 1HG THR 8 -19.151 0.748 9.871 34 HG21 THR 8 1HG2 THR 8 -17.374 4.078 9.183 35 HG22 THR 8 2HG2 THR 8 -17.620 3.131 10.651 36 HG23 THR 8 3HG2 THR 8 -19.002 3.838 9.815 37 H ALA 9 H ALA 9 -16.610 0.496 7.275 38 HA ALA 9 HA ALA 9 -18.407 -1.243 5.768 39 HB1 ALA 9 1HB ALA 9 -17.198 -0.219 3.991 40 HB2 ALA 9 2HB ALA 9 -15.660 -0.451 4.824 41 HB3 ALA 9 3HB ALA 9 -16.546 -1.844 4.203 42 H ARG 10 H ARG 10 -17.461 -3.490 5.577 43 HA ARG 10 HA ARG 10 -15.995 -4.127 8.051 44 HB2 ARG 10 1HB ARG 10 -18.462 -4.953 7.517 45 HB3 ARG 10 2HB ARG 10 -17.597 -6.192 6.617 46 HG2 ARG 10 1HG ARG 10 -18.001 -7.092 8.753 47 HG3 ARG 10 2HG ARG 10 -16.294 -6.645 8.729 48 HD2 ARG 10 1HD ARG 10 -17.146 -4.401 9.732 49 HD3 ARG 10 2HD ARG 10 -18.578 -5.340 10.151 50 HE ARG 10 HE ARG 10 -16.478 -6.830 11.068 51 HH11 ARG 10 2HH1 ARG 10 -17.608 -3.575 11.567 52 HH12 ARG 10 1HH1 ARG 10 -16.997 -3.473 13.186 53 HH21 ARG 10 2HH2 ARG 10 -15.669 -6.707 13.197 54 HH22 ARG 10 1HH2 ARG 10 -15.894 -5.254 14.111 55 H LEU 11 H LEU 11 -14.437 -5.807 8.000 56 HA LEU 11 HA LEU 11 -13.106 -6.032 5.413 57 HB2 LEU 11 1HB LEU 11 -11.848 -5.312 7.422 58 HB3 LEU 11 2HB LEU 11 -12.159 -6.890 8.144 59 HG LEU 11 HG LEU 11 -10.880 -7.923 6.268 60 HD11 LEU 11 1HD1 LEU 11 -11.224 -5.910 4.757 61 HD12 LEU 11 2HD1 LEU 11 -9.614 -6.630 4.769 62 HD13 LEU 11 3HD1 LEU 11 -9.920 -5.141 5.663 63 HD21 LEU 11 1HD2 LEU 11 -8.971 -6.015 7.448 64 HD22 LEU 11 2HD2 LEU 11 -8.971 -7.779 7.457 65 HD23 LEU 11 3HD2 LEU 11 -9.987 -6.890 8.594 66 H VAL 12 H VAL 12 -13.221 -7.801 4.205 67 HA VAL 12 HA VAL 12 -14.214 -10.281 5.445 68 HB VAL 12 HB VAL 12 -14.550 -10.795 2.840 69 HG11 VAL 12 1HG1 VAL 12 -16.869 -10.289 3.131 70 HG12 VAL 12 2HG1 VAL 12 -16.235 -10.835 4.684 71 HG13 VAL 12 3HG1 VAL 12 -16.508 -9.116 4.398 72 HG21 VAL 12 1HG2 VAL 12 -15.282 -8.848 1.627 73 HG22 VAL 12 2HG2 VAL 12 -14.987 -7.816 3.026 74 HG23 VAL 12 3HG2 VAL 12 -13.634 -8.581 2.194 75 H ALA 13 H ALA 13 -11.774 -8.914 3.313 76 HA ALA 13 HA ALA 13 -10.197 -11.370 3.653 77 HB1 ALA 13 1HB ALA 13 -11.346 -11.137 1.361 78 HB2 ALA 13 2HB ALA 13 -10.148 -9.880 1.055 79 HB3 ALA 13 3HB ALA 13 -9.627 -11.528 1.404 80 H GLY 14 H GLY 14 -8.993 -10.290 5.262 81 HA2 GLY 14 1HA GLY 14 -7.822 -7.768 5.034 82 HA3 GLY 14 2HA GLY 14 -7.209 -9.074 6.037 83 H LEU 15 H LEU 15 -5.316 -7.535 5.114 84 HA LEU 15 HA LEU 15 -4.364 -8.284 2.514 85 HB2 LEU 15 1HB LEU 15 -3.025 -6.831 4.788 86 HB3 LEU 15 2HB LEU 15 -2.324 -7.042 3.185 87 HG LEU 15 HG LEU 15 -4.984 -5.717 3.415 88 HD11 LEU 15 1HD1 LEU 15 -2.430 -4.662 4.471 89 HD12 LEU 15 2HD1 LEU 15 -4.091 -4.305 4.943 90 HD13 LEU 15 3HD1 LEU 15 -3.409 -3.566 3.494 91 HD21 LEU 15 1HD2 LEU 15 -3.085 -6.221 1.394 92 HD22 LEU 15 2HD2 LEU 15 -3.082 -4.480 1.678 93 HD23 LEU 15 3HD2 LEU 15 -4.588 -5.305 1.272 94 H GLU 16 H GLU 16 -1.825 -8.881 2.569 95 HA GLU 16 HA GLU 16 -1.319 -11.004 4.502 96 HB2 GLU 16 1HB GLU 16 -1.338 -11.485 1.517 97 HB3 GLU 16 2HB GLU 16 -0.782 -12.633 2.727 98 HG2 GLU 16 1HG GLU 16 -3.140 -12.416 3.718 99 HG3 GLU 16 2HG GLU 16 -3.567 -11.694 2.167 100 H ASP 17 H ASP 17 0.854 -11.507 4.766 101 HA ASP 17 HA ASP 17 2.697 -9.451 4.226 102 HB2 ASP 17 1HB ASP 17 3.133 -12.311 5.107 103 HB3 ASP 17 2HB ASP 17 4.404 -11.092 5.056 104 H VAL 18 H VAL 18 4.348 -9.254 2.755 105 HA VAL 18 HA VAL 18 4.643 -11.323 0.705 106 HB VAL 18 HB VAL 18 4.132 -8.415 0.063 107 HG11 VAL 18 1HG1 VAL 18 4.394 -8.981 -2.233 108 HG12 VAL 18 2HG1 VAL 18 5.814 -9.595 -1.383 109 HG13 VAL 18 3HG1 VAL 18 4.523 -10.699 -1.860 110 HG21 VAL 18 1HG2 VAL 18 2.455 -10.887 -0.129 111 HG22 VAL 18 2HG2 VAL 18 2.030 -9.296 0.503 112 HG23 VAL 18 3HG2 VAL 18 2.193 -9.539 -1.236 113 H GLN 19 H GLN 19 6.706 -11.651 0.149 114 HA GLN 19 HA GLN 19 8.677 -9.575 0.843 115 HB2 GLN 19 1HB GLN 19 10.114 -11.113 1.786 116 HB3 GLN 19 2HB GLN 19 8.555 -11.774 2.263 117 HG2 GLN 19 1HG GLN 19 8.760 -13.161 0.085 118 HG3 GLN 19 2HG GLN 19 10.472 -12.755 0.196 119 HE21 GLN 19 1HE2 GLN 19 11.422 -13.149 2.427 120 HE22 GLN 19 2HE2 GLN 19 10.983 -14.633 3.193 121 H VAL 20 H VAL 20 9.972 -8.940 -0.757 122 HA VAL 20 HA VAL 20 10.429 -10.726 -3.036 123 HB VAL 20 HB VAL 20 10.086 -8.857 -4.622 124 HG11 VAL 20 1HG1 VAL 20 8.244 -10.545 -3.619 125 HG12 VAL 20 2HG1 VAL 20 7.479 -8.997 -3.250 126 HG13 VAL 20 3HG1 VAL 20 7.913 -9.394 -4.913 127 HG21 VAL 20 1HG2 VAL 20 8.736 -6.906 -3.799 128 HG22 VAL 20 2HG2 VAL 20 9.097 -7.436 -2.156 129 HG23 VAL 20 3HG2 VAL 20 10.406 -6.948 -3.233 130 H TYR 21 H TYR 21 12.243 -10.053 -4.390 131 HA TYR 21 HA TYR 21 14.440 -9.151 -2.786 132 HB2 TYR 21 1HB TYR 21 14.120 -10.134 -5.597 133 HB3 TYR 21 2HB TYR 21 15.612 -9.325 -5.132 134 HD1 TYR 21 1HD TYR 21 13.424 -11.744 -3.309 135 HD2 TYR 21 2HD TYR 21 17.270 -10.924 -4.934 136 HE1 TYR 21 1HE TYR 21 14.266 -13.853 -2.364 137 HE2 TYR 21 2HE TYR 21 18.122 -13.032 -3.994 138 HH TYR 21 HH TYR 21 16.904 -15.366 -3.307 139 H ASP 22 H ASP 22 15.990 -7.489 -3.663 140 HA ASP 22 HA ASP 22 14.766 -4.980 -3.760 141 HB2 ASP 22 1HB ASP 22 17.010 -5.071 -3.005 142 HB3 ASP 22 2HB ASP 22 17.549 -5.899 -4.463 143 H GLY 23 H GLY 23 14.246 -3.577 -5.390 144 HA2 GLY 23 1HA GLY 23 13.995 -2.792 -7.564 145 HA3 GLY 23 2HA GLY 23 14.914 -4.175 -8.140 146 H GLU 24 H GLU 24 13.015 -5.913 -6.488 147 HA GLU 24 HA GLU 24 11.296 -6.624 -8.605 148 HB2 GLU 24 1HB GLU 24 11.121 -7.332 -5.671 149 HB3 GLU 24 2HB GLU 24 10.222 -8.123 -6.958 150 HG2 GLU 24 1HG GLU 24 13.203 -8.122 -6.564 151 HG3 GLU 24 2HG GLU 24 12.099 -9.481 -6.362 152 H ASP 25 H ASP 25 8.813 -7.022 -7.774 153 HA ASP 25 HA ASP 25 7.804 -4.377 -6.960 154 HB2 ASP 25 1HB ASP 25 6.396 -6.142 -8.956 155 HB3 ASP 25 2HB ASP 25 6.101 -4.442 -8.604 156 H ALA 26 H ALA 26 6.350 -4.377 -5.362 157 HA ALA 26 HA ALA 26 5.443 -6.968 -4.341 158 HB1 ALA 26 1HB ALA 26 5.007 -4.405 -2.879 159 HB2 ALA 26 2HB ALA 26 5.302 -6.026 -2.248 160 HB3 ALA 26 3HB ALA 26 6.627 -5.098 -2.951 161 H VAL 27 H VAL 27 3.255 -7.308 -3.727 162 HA VAL 27 HA VAL 27 1.296 -5.442 -4.868 163 HB VAL 27 HB VAL 27 1.238 -8.430 -5.309 164 HG11 VAL 27 1HG1 VAL 27 -0.568 -6.962 -6.959 165 HG12 VAL 27 2HG1 VAL 27 -0.923 -8.217 -5.770 166 HG13 VAL 27 3HG1 VAL 27 -0.847 -6.526 -5.274 167 HG21 VAL 27 1HG2 VAL 27 1.746 -8.025 -7.583 168 HG22 VAL 27 2HG2 VAL 27 1.546 -6.282 -7.394 169 HG23 VAL 27 3HG2 VAL 27 2.922 -7.097 -6.651 170 H PHE 28 H PHE 28 -0.530 -5.192 -3.691 171 HA PHE 28 HA PHE 28 -1.167 -7.112 -1.588 172 HB2 PHE 28 1HB PHE 28 -0.792 -4.163 -1.028 173 HB3 PHE 28 2HB PHE 28 -1.329 -5.377 0.129 174 HD1 PHE 28 1HD PHE 28 0.248 -7.148 0.871 175 HD2 PHE 28 2HD PHE 28 1.497 -3.840 -1.500 176 HE1 PHE 28 1HE PHE 28 2.586 -7.583 1.501 177 HE2 PHE 28 2HE PHE 28 3.837 -4.271 -0.874 178 HZ PHE 28 HZ PHE 28 4.385 -6.145 0.627 179 H SER 29 H SER 29 -3.322 -7.151 -1.001 180 HA SER 29 HA SER 29 -5.165 -5.141 -1.920 181 HB2 SER 29 1HB SER 29 -6.499 -6.701 -3.326 182 HB3 SER 29 2HB SER 29 -4.901 -6.377 -3.998 183 HG SER 29 HG SER 29 -5.860 -8.704 -2.733 184 H LEU 30 H LEU 30 -7.434 -5.703 -1.329 185 HA LEU 30 HA LEU 30 -7.825 -7.842 0.563 186 HB2 LEU 30 1HB LEU 30 -8.462 -6.395 2.425 187 HB3 LEU 30 2HB LEU 30 -6.765 -6.201 1.991 188 HG LEU 30 HG LEU 30 -7.774 -4.173 0.583 189 HD11 LEU 30 1HD1 LEU 30 -9.579 -3.087 1.697 190 HD12 LEU 30 2HD1 LEU 30 -9.596 -4.299 2.977 191 HD13 LEU 30 3HD1 LEU 30 -10.089 -4.738 1.342 192 HD21 LEU 30 1HD2 LEU 30 -6.148 -3.457 1.965 193 HD22 LEU 30 2HD2 LEU 30 -6.695 -4.463 3.306 194 HD23 LEU 30 3HD2 LEU 30 -7.501 -2.931 2.966 195 H ASP 31 H ASP 31 -10.062 -7.985 1.300 196 HA ASP 31 HA ASP 31 -11.900 -6.737 -0.631 197 HB2 ASP 31 1HB ASP 31 -12.137 -9.345 0.881 198 HB3 ASP 31 2HB ASP 31 -13.402 -8.670 -0.143 199 H LEU 32 H LEU 32 -14.071 -6.232 0.137 200 HA LEU 32 HA LEU 32 -14.211 -5.700 3.024 201 HB2 LEU 32 1HB LEU 32 -15.007 -3.776 0.844 202 HB3 LEU 32 2HB LEU 32 -15.210 -3.517 2.576 203 HG LEU 32 HG LEU 32 -12.619 -3.637 1.038 204 HD11 LEU 32 1HD1 LEU 32 -13.481 -1.507 0.748 205 HD12 LEU 32 2HD1 LEU 32 -12.460 -1.323 2.173 206 HD13 LEU 32 3HD1 LEU 32 -14.208 -1.470 2.355 207 HD21 LEU 32 1HD2 LEU 32 -12.010 -2.820 3.580 208 HD22 LEU 32 2HD2 LEU 32 -11.733 -4.436 2.929 209 HD23 LEU 32 3HD2 LEU 32 -13.191 -4.098 3.864 210 H SER 33 H SER 33 -16.590 -4.787 3.455 211 HA SER 33 HA SER 33 -18.375 -6.846 2.379 212 HB2 SER 33 1HB SER 33 -18.217 -5.331 4.926 213 HB3 SER 33 2HB SER 33 -19.834 -5.729 4.348 214 HG SER 33 HG SER 33 -17.951 -7.769 4.280 215 H THR 34 H THR 34 -17.746 -3.495 2.213 216 HA THR 34 HA THR 34 -19.894 -3.111 0.337 217 HB THR 34 HB THR 34 -20.921 -2.733 2.650 218 HG1 THR 34 1HG THR 34 -22.247 -1.313 1.707 219 HG21 THR 34 1HG2 THR 34 -18.686 -1.094 2.959 220 HG22 THR 34 2HG2 THR 34 -20.081 -1.195 4.033 221 HG23 THR 34 3HG2 THR 34 -20.038 0.019 2.755 222 H ILE 35 H ILE 35 -19.880 -0.833 -0.531 223 HA ILE 35 HA ILE 35 -17.271 -0.131 -1.319 224 HB ILE 35 HB ILE 35 -19.811 1.493 -1.505 225 HG12 ILE 35 1HG1 ILE 35 -19.373 0.659 -4.006 226 HG13 ILE 35 2HG1 ILE 35 -18.591 -0.667 -3.153 227 HG21 ILE 35 1HG2 ILE 35 -17.045 1.947 -2.495 228 HG22 ILE 35 2HG2 ILE 35 -18.394 2.431 -3.522 229 HG23 ILE 35 3HG2 ILE 35 -18.237 3.102 -1.899 230 HD11 ILE 35 1HD1 ILE 35 -21.340 -0.276 -3.667 231 HD12 ILE 35 2HD1 ILE 35 -20.558 -1.604 -2.808 232 HD13 ILE 35 3HD1 ILE 35 -21.099 -0.179 -1.922 233 H ILE 36 H ILE 36 -15.889 1.471 -0.688 234 HA ILE 36 HA ILE 36 -16.580 3.553 1.113 235 HB ILE 36 HB ILE 36 -16.517 1.504 2.628 236 HG12 ILE 36 1HG1 ILE 36 -14.566 3.720 3.283 237 HG13 ILE 36 2HG1 ILE 36 -16.316 3.886 3.378 238 HG21 ILE 36 1HG2 ILE 36 -14.412 0.598 3.265 239 HG22 ILE 36 2HG2 ILE 36 -14.489 0.544 1.504 240 HG23 ILE 36 3HG2 ILE 36 -13.538 1.793 2.307 241 HD11 ILE 36 1HD1 ILE 36 -15.817 1.634 4.872 242 HD12 ILE 36 2HD1 ILE 36 -14.453 2.688 5.247 243 HD13 ILE 36 3HD1 ILE 36 -16.103 3.259 5.495 244 H GLN 37 H GLN 37 -14.762 4.923 1.644 245 HA GLN 37 HA GLN 37 -12.443 4.470 -0.115 246 HB2 GLN 37 1HB GLN 37 -13.975 6.306 -0.858 247 HB3 GLN 37 2HB GLN 37 -13.618 7.147 0.644 248 HG2 GLN 37 1HG GLN 37 -11.343 6.307 -1.068 249 HG3 GLN 37 2HG GLN 37 -12.326 7.675 -1.588 250 HE21 GLN 37 1HE2 GLN 37 -9.580 7.747 -0.838 251 HE22 GLN 37 2HE2 GLN 37 -9.448 8.773 0.545 252 H GLY 38 H GLY 38 -10.713 4.004 1.069 253 HA2 GLY 38 1HA GLY 38 -10.395 5.371 3.668 254 HA3 GLY 38 2HA GLY 38 -9.769 3.768 3.314 255 H THR 39 H THR 39 -7.688 4.471 3.984 256 HA THR 39 HA THR 39 -6.264 5.916 1.865 257 HB THR 39 HB THR 39 -6.014 6.496 4.821 258 HG1 THR 39 1HG THR 39 -6.749 8.515 4.231 259 HG21 THR 39 1HG2 THR 39 -3.847 6.876 4.367 260 HG22 THR 39 2HG2 THR 39 -4.424 8.310 3.518 261 HG23 THR 39 3HG2 THR 39 -4.109 6.823 2.624 262 H TRP 40 H TRP 40 -4.239 5.161 1.422 263 HA TRP 40 HA TRP 40 -3.516 2.632 2.666 264 HB2 TRP 40 1HB TRP 40 -2.671 4.077 0.176 265 HB3 TRP 40 2HB TRP 40 -1.671 2.779 0.822 266 HD1 TRP 40 HD TRP 40 -4.893 3.411 -1.058 267 HE1 TRP 40 1HE TRP 40 -5.898 1.161 -1.800 268 HE3 TRP 40 3HE TRP 40 -1.845 0.257 1.569 269 HZ2 TRP 40 2HZ TRP 40 -5.457 -1.588 -1.333 270 HZ3 TRP 40 3HZ TRP 40 -2.203 -2.169 1.366 271 HH2 TRP 40 HH TRP 40 -3.973 -3.070 -0.054 272 H PHE 41 H PHE 41 -1.389 2.192 3.451 273 HA PHE 41 HA PHE 41 0.150 4.572 4.237 274 HB2 PHE 41 1HB PHE 41 -0.965 2.410 5.962 275 HB3 PHE 41 2HB PHE 41 0.617 3.061 6.376 276 HD1 PHE 41 2HD PHE 41 -2.862 4.130 5.609 277 HD2 PHE 41 1HD PHE 41 0.770 4.976 7.660 278 HE1 PHE 41 2HE PHE 41 -3.945 6.029 6.738 279 HE2 PHE 41 1HE PHE 41 -0.307 6.875 8.793 280 HZ PHE 41 HZ PHE 41 -2.668 7.405 8.331 281 H LEU 42 H LEU 42 2.382 4.290 4.436 282 HA LEU 42 HA LEU 42 3.498 1.678 3.756 283 HB2 LEU 42 1HB LEU 42 3.324 2.642 1.605 284 HB3 LEU 42 2HB LEU 42 3.898 4.206 2.181 285 HG LEU 42 HG LEU 42 6.135 3.156 2.561 286 HD11 LEU 42 1HD1 LEU 42 4.884 0.852 1.072 287 HD12 LEU 42 2HD1 LEU 42 5.440 0.840 2.746 288 HD13 LEU 42 3HD1 LEU 42 6.602 1.030 1.433 289 HD21 LEU 42 1HD2 LEU 42 5.092 4.250 0.323 290 HD22 LEU 42 2HD2 LEU 42 5.609 2.681 -0.296 291 HD23 LEU 42 3HD2 LEU 42 6.776 3.749 0.486 292 H ASN 43 H ASN 43 4.813 1.296 5.412 293 HA ASN 43 HA ASN 43 6.503 1.512 6.920 294 HB2 ASN 43 1HB ASN 43 7.226 3.497 4.826 295 HB3 ASN 43 2HB ASN 43 8.062 3.619 6.371 296 HD21 ASN 43 1HD2 ASN 43 8.660 2.636 3.492 297 HD22 ASN 43 2HD2 ASN 43 9.530 1.168 3.766 298 H GLY 44 H GLY 44 3.993 2.651 7.528 299 HA2 GLY 44 1HA GLY 44 3.102 3.876 9.265 300 HA3 GLY 44 2HA GLY 44 4.739 4.321 9.722 301 H GLU 45 H GLU 45 3.546 4.930 6.508 302 HA GLU 45 HA GLU 45 3.315 7.792 7.169 303 HB2 GLU 45 1HB GLU 45 5.216 7.954 5.939 304 HB3 GLU 45 2HB GLU 45 4.937 6.426 5.115 305 HG2 GLU 45 1HG GLU 45 3.578 7.400 3.500 306 HG3 GLU 45 2HG GLU 45 3.291 8.840 4.475 307 H GLU 46 H GLU 46 1.755 8.981 6.067 308 HA GLU 46 HA GLU 46 -0.410 7.373 4.960 309 HB2 GLU 46 1HB GLU 46 -0.903 9.033 6.723 310 HB3 GLU 46 2HB GLU 46 -0.337 10.313 5.659 311 HG2 GLU 46 1HG GLU 46 -2.489 8.529 4.669 312 HG3 GLU 46 2HG GLU 46 -2.895 9.722 5.901 313 H LEU 47 H LEU 47 -0.312 6.983 2.848 314 HA LEU 47 HA LEU 47 1.012 8.782 1.027 315 HB2 LEU 47 1HB LEU 47 -0.593 6.293 0.464 316 HB3 LEU 47 2HB LEU 47 0.445 7.140 -0.681 317 HG LEU 47 HG LEU 47 1.625 6.061 1.841 318 HD11 LEU 47 1HD1 LEU 47 2.046 3.925 0.730 319 HD12 LEU 47 2HD1 LEU 47 1.048 4.435 -0.631 320 HD13 LEU 47 3HD1 LEU 47 0.320 4.206 0.959 321 HD21 LEU 47 1HD2 LEU 47 2.523 7.033 -0.782 322 HD22 LEU 47 2HD2 LEU 47 3.359 5.597 -0.189 323 HD23 LEU 47 3HD2 LEU 47 3.334 7.069 0.784 324 H LYS 48 H LYS 48 -0.087 9.436 -1.029 325 HA LYS 48 HA LYS 48 -2.843 10.313 -0.462 326 HB2 LYS 48 1HB LYS 48 -0.697 11.667 -2.104 327 HB3 LYS 48 2HB LYS 48 -2.360 12.226 -1.983 328 HG2 LYS 48 1HG LYS 48 -0.730 11.850 0.490 329 HG3 LYS 48 2HG LYS 48 -0.527 13.298 -0.499 330 HD2 LYS 48 1HD LYS 48 -3.280 12.453 0.275 331 HD3 LYS 48 2HD LYS 48 -2.259 13.240 1.480 332 HE2 LYS 48 1HE LYS 48 -1.923 15.124 -0.065 333 HE3 LYS 48 2HE LYS 48 -2.981 14.339 -1.236 334 HZ1 LYS 48 1HZ LYS 48 -4.833 14.662 0.109 335 HZ2 LYS 48 2HZ LYS 48 -3.982 16.115 0.266 336 HZ3 LYS 48 3HZ LYS 48 -3.913 14.958 1.498 337 H SER 49 H SER 49 -4.356 10.300 -2.153 338 HA SER 49 HA SER 49 -4.040 8.151 -4.005 339 HB2 SER 49 1HB SER 49 -6.311 8.668 -4.705 340 HB3 SER 49 2HB SER 49 -6.213 8.732 -2.946 341 HG SER 49 HG SER 49 -6.072 10.979 -4.677 342 H ASN 50 H ASN 50 -4.281 11.678 -4.338 343 HA ASN 50 HA ASN 50 -3.840 11.558 -7.188 344 HB2 ASN 50 1HB ASN 50 -3.997 13.903 -5.283 345 HB3 ASN 50 2HB ASN 50 -3.860 14.046 -7.033 346 HD21 ASN 50 1HD2 ASN 50 -5.568 12.863 -8.278 347 HD22 ASN 50 2HD2 ASN 50 -7.180 12.934 -7.660 348 H GLU 51 H GLU 51 -2.115 13.371 -4.647 349 HA GLU 51 HA GLU 51 0.433 12.396 -5.668 350 HB2 GLU 51 1HB GLU 51 -0.317 15.322 -5.606 351 HB3 GLU 51 2HB GLU 51 1.330 14.735 -5.784 352 HG2 GLU 51 1HG GLU 51 -0.945 14.189 -7.676 353 HG3 GLU 51 2HG GLU 51 0.355 15.352 -7.927 354 HA PRO 52 HA PRO 52 1.296 12.410 -1.340 355 HB2 PRO 52 1HB PRO 52 3.980 12.027 -1.492 356 HB3 PRO 52 2HB PRO 52 2.807 10.741 -1.800 357 HG2 PRO 52 1HG PRO 52 4.300 12.451 -3.751 358 HG3 PRO 52 2HG PRO 52 3.983 10.707 -3.807 359 HD2 PRO 52 1HD PRO 52 2.544 12.496 -5.243 360 HD3 PRO 52 2HD PRO 52 1.840 10.995 -4.607 361 H GLU 53 H GLU 53 3.306 13.357 0.032 362 HA GLU 53 HA GLU 53 4.420 15.816 -0.789 363 HB2 GLU 53 1HB GLU 53 3.103 17.385 0.499 364 HB3 GLU 53 2HB GLU 53 2.060 16.544 -0.639 365 HG2 GLU 53 1HG GLU 53 1.429 15.005 1.247 366 HG3 GLU 53 2HG GLU 53 2.282 16.109 2.325 367 H GLY 54 H GLY 54 5.200 17.100 1.234 368 HA2 GLY 54 1HA GLY 54 5.906 17.014 3.519 369 HA3 GLY 54 2HA GLY 54 5.763 15.264 3.461 370 H GLN 55 H GLN 55 7.731 14.474 3.844 371 HA GLN 55 HA GLN 55 10.108 15.821 2.933 372 HB2 GLN 55 1HB GLN 55 11.182 13.657 3.888 373 HB3 GLN 55 2HB GLN 55 10.444 14.808 4.994 374 HG2 GLN 55 1HG GLN 55 8.518 13.458 5.258 375 HG3 GLN 55 2HG GLN 55 8.992 12.407 3.925 376 HE21 GLN 55 1HE2 GLN 55 11.432 11.646 4.341 377 HE22 GLN 55 2HE2 GLN 55 11.649 10.888 5.878 378 H VAL 56 H VAL 56 8.147 13.119 1.924 379 HA VAL 56 HA VAL 56 10.104 12.154 0.023 380 HB VAL 56 HB VAL 56 7.271 11.352 0.648 381 HG11 VAL 56 1HG1 VAL 56 7.471 9.584 -1.021 382 HG12 VAL 56 2HG1 VAL 56 7.581 11.177 -1.773 383 HG13 VAL 56 3HG1 VAL 56 9.039 10.218 -1.517 384 HG21 VAL 56 1HG2 VAL 56 8.182 9.743 1.901 385 HG22 VAL 56 2HG2 VAL 56 9.369 9.333 0.662 386 HG23 VAL 56 3HG2 VAL 56 9.684 10.661 1.780 387 H GLU 57 H GLU 57 9.930 12.250 -2.223 388 HA GLU 57 HA GLU 57 8.314 14.493 -3.203 389 HB2 GLU 57 1HB GLU 57 9.833 14.475 -5.149 390 HB3 GLU 57 2HB GLU 57 10.693 14.688 -3.631 391 HG2 GLU 57 1HG GLU 57 10.400 11.966 -4.822 392 HG3 GLU 57 2HG GLU 57 11.632 13.076 -5.420 393 HA PRO 58 HA PRO 58 5.616 11.922 -5.523 394 HB2 PRO 58 1HB PRO 58 5.085 13.527 -7.647 395 HB3 PRO 58 2HB PRO 58 4.440 13.830 -6.029 396 HG2 PRO 58 1HG PRO 58 6.795 15.077 -7.393 397 HG3 PRO 58 2HG PRO 58 5.532 15.846 -6.414 398 HD2 PRO 58 1HD PRO 58 7.987 15.264 -5.431 399 HD3 PRO 58 2HD PRO 58 6.524 15.230 -4.426 400 H GLY 59 H GLY 59 8.730 12.505 -6.450 401 HA2 GLY 59 1HA GLY 59 8.451 10.715 -8.780 402 HA3 GLY 59 2HA GLY 59 9.503 12.121 -8.841 403 H ALA 60 H ALA 60 8.945 9.510 -6.475 404 HA ALA 60 HA ALA 60 11.857 9.046 -6.475 405 HB1 ALA 60 1HB ALA 60 10.588 8.070 -4.090 406 HB2 ALA 60 2HB ALA 60 11.892 9.246 -4.264 407 HB3 ALA 60 3HB ALA 60 10.211 9.776 -4.332 408 H LEU 61 H LEU 61 8.662 7.566 -6.260 409 HA LEU 61 HA LEU 61 9.769 5.101 -7.354 410 HB2 LEU 61 1HB LEU 61 9.043 3.685 -5.688 411 HB3 LEU 61 2HB LEU 61 9.650 5.064 -4.774 412 HG LEU 61 HG LEU 61 6.738 4.876 -5.437 413 HD11 LEU 61 1HD1 LEU 61 7.313 2.709 -4.477 414 HD12 LEU 61 2HD1 LEU 61 6.355 3.670 -3.352 415 HD13 LEU 61 3HD1 LEU 61 8.095 3.512 -3.115 416 HD21 LEU 61 1HD2 LEU 61 6.527 6.559 -3.978 417 HD22 LEU 61 2HD2 LEU 61 8.267 6.762 -4.179 418 HD23 LEU 61 3HD2 LEU 61 7.638 5.824 -2.823 419 H ARG 62 H ARG 62 8.042 3.595 -8.070 420 HA ARG 62 HA ARG 62 5.686 5.115 -8.969 421 HB2 ARG 62 1HB ARG 62 7.173 2.810 -10.223 422 HB3 ARG 62 2HB ARG 62 5.581 3.319 -10.769 423 HG2 ARG 62 1HG ARG 62 7.764 5.337 -10.589 424 HG3 ARG 62 2HG ARG 62 7.741 4.202 -11.939 425 HD2 ARG 62 1HD ARG 62 5.308 5.786 -11.185 426 HD3 ARG 62 2HD ARG 62 6.558 6.466 -12.226 427 HE ARG 62 HE ARG 62 5.699 3.915 -13.149 428 HH11 ARG 62 2HH1 ARG 62 4.820 7.282 -13.046 429 HH12 ARG 62 1HH1 ARG 62 3.862 7.210 -14.488 430 HH21 ARG 62 2HH2 ARG 62 4.441 3.808 -15.049 431 HH22 ARG 62 1HH2 ARG 62 3.646 5.234 -15.626 432 H TYR 63 H TYR 63 3.730 4.488 -8.319 433 HA TYR 63 HA TYR 63 3.336 1.737 -7.390 434 HB2 TYR 63 1HB TYR 63 2.003 2.643 -5.451 435 HB3 TYR 63 2HB TYR 63 3.740 2.906 -5.346 436 HD1 TYR 63 1HD TYR 63 4.594 5.215 -6.217 437 HD2 TYR 63 2HD TYR 63 0.560 4.429 -5.116 438 HE1 TYR 63 1HE TYR 63 4.216 7.625 -5.906 439 HE2 TYR 63 2HE TYR 63 0.170 6.837 -4.803 440 HH TYR 63 HH TYR 63 1.018 8.913 -5.251 441 H ARG 64 H ARG 64 1.058 1.130 -7.233 442 HA ARG 64 HA ARG 64 -0.731 2.814 -8.844 443 HB2 ARG 64 1HB ARG 64 0.375 0.867 -10.126 444 HB3 ARG 64 2HB ARG 64 -0.670 -0.175 -9.169 445 HG2 ARG 64 1HG ARG 64 -1.915 2.099 -10.615 446 HG3 ARG 64 2HG ARG 64 -1.379 0.702 -11.551 447 HD2 ARG 64 1HD ARG 64 -2.702 -0.753 -10.040 448 HD3 ARG 64 2HD ARG 64 -3.304 0.692 -9.230 449 HE ARG 64 HE ARG 64 -4.137 -0.343 -11.781 450 HH11 ARG 64 2HH1 ARG 64 -3.931 2.484 -9.760 451 HH12 ARG 64 1HH1 ARG 64 -5.232 3.307 -10.554 452 HH21 ARG 64 2HH2 ARG 64 -5.851 0.730 -12.835 453 HH22 ARG 64 1HH2 ARG 64 -6.324 2.308 -12.303 454 H ILE 65 H ILE 65 -2.775 2.952 -8.105 455 HA ILE 65 HA ILE 65 -3.579 1.115 -5.946 456 HB ILE 65 HB ILE 65 -4.043 4.093 -6.099 457 HG12 ILE 65 1HG1 ILE 65 -2.715 2.431 -3.951 458 HG13 ILE 65 2HG1 ILE 65 -1.836 3.264 -5.228 459 HG21 ILE 65 1HG2 ILE 65 -6.066 3.397 -5.258 460 HG22 ILE 65 2HG2 ILE 65 -5.376 1.971 -4.485 461 HG23 ILE 65 3HG2 ILE 65 -5.123 3.566 -3.777 462 HD11 ILE 65 1HD1 ILE 65 -2.876 4.278 -2.742 463 HD12 ILE 65 2HD1 ILE 65 -1.731 5.007 -3.869 464 HD13 ILE 65 3HD1 ILE 65 -3.465 5.214 -4.116 465 H GLU 66 H GLU 66 -5.384 0.037 -6.364 466 HA GLU 66 HA GLU 66 -7.237 1.133 -8.376 467 HB2 GLU 66 1HB GLU 66 -6.566 -1.722 -7.666 468 HB3 GLU 66 2HB GLU 66 -7.949 -1.284 -8.658 469 HG2 GLU 66 1HG GLU 66 -5.253 -0.285 -9.423 470 HG3 GLU 66 2HG GLU 66 -5.671 -1.967 -9.744 471 H GLN 67 H GLN 67 -8.857 2.095 -7.316 472 HA GLN 67 HA GLN 67 -9.989 0.758 -4.957 473 HB2 GLN 67 1HB GLN 67 -9.315 3.008 -4.476 474 HB3 GLN 67 2HB GLN 67 -10.143 3.620 -5.902 475 HG2 GLN 67 1HG GLN 67 -11.216 3.922 -3.571 476 HG3 GLN 67 2HG GLN 67 -12.222 3.450 -4.939 477 HE21 GLN 67 1HE2 GLN 67 -13.782 2.419 -3.777 478 HE22 GLN 67 2HE2 GLN 67 -13.511 0.957 -2.898 479 H LYS 68 H LYS 68 -11.775 -0.377 -5.261 480 HA LYS 68 HA LYS 68 -13.853 0.640 -7.038 481 HB2 LYS 68 1HB LYS 68 -12.321 -1.878 -7.447 482 HB3 LYS 68 2HB LYS 68 -14.051 -1.923 -7.757 483 HG2 LYS 68 1HG LYS 68 -12.186 0.083 -9.002 484 HG3 LYS 68 2HG LYS 68 -12.630 -1.452 -9.754 485 HD2 LYS 68 1HD LYS 68 -14.955 -0.809 -9.796 486 HD3 LYS 68 2HD LYS 68 -14.599 0.669 -8.900 487 HE2 LYS 68 1HE LYS 68 -14.859 1.197 -11.236 488 HE3 LYS 68 2HE LYS 68 -13.172 1.415 -10.776 489 HZ1 LYS 68 1HZ LYS 68 -12.633 0.058 -12.421 490 HZ2 LYS 68 2HZ LYS 68 -14.257 -0.263 -12.768 491 HZ3 LYS 68 3HZ LYS 68 -13.432 -1.208 -11.632 492 H GLY 69 H GLY 69 -15.432 0.886 -5.571 493 HA2 GLY 69 1HA GLY 69 -16.862 0.422 -3.821 494 HA3 GLY 69 2HA GLY 69 -16.994 -1.135 -4.624 495 H LEU 70 H LEU 70 -16.309 -2.897 -3.575 496 HA LEU 70 HA LEU 70 -14.878 -2.483 -1.040 497 HB2 LEU 70 1HB LEU 70 -15.727 -4.981 -0.784 498 HB3 LEU 70 2HB LEU 70 -16.733 -3.594 -0.372 499 HG LEU 70 HG LEU 70 -16.924 -4.705 -3.128 500 HD11 LEU 70 1HD1 LEU 70 -17.588 -6.167 -0.664 501 HD12 LEU 70 2HD1 LEU 70 -17.287 -6.762 -2.297 502 HD13 LEU 70 3HD1 LEU 70 -18.867 -6.099 -1.877 503 HD21 LEU 70 1HD2 LEU 70 -18.181 -2.693 -1.808 504 HD22 LEU 70 2HD2 LEU 70 -19.301 -4.029 -1.543 505 HD23 LEU 70 3HD2 LEU 70 -18.856 -3.562 -3.186 506 H GLN 71 H GLN 71 -13.332 -2.421 -3.317 507 HA GLN 71 HA GLN 71 -11.686 -4.796 -2.913 508 HB2 GLN 71 1HB GLN 71 -13.277 -4.962 -4.987 509 HB3 GLN 71 2HB GLN 71 -12.121 -3.862 -5.726 510 HG2 GLN 71 1HG GLN 71 -10.355 -5.428 -5.503 511 HG3 GLN 71 2HG GLN 71 -11.331 -6.475 -4.474 512 HE21 GLN 71 1HE2 GLN 71 -13.145 -7.557 -5.438 513 HE22 GLN 71 2HE2 GLN 71 -13.121 -7.947 -7.121 514 H HIS 72 H HIS 72 -9.916 -3.848 -2.113 515 HA HIS 72 HA HIS 72 -8.857 -1.473 -3.492 516 HB2 HIS 72 1HB HIS 72 -8.340 -2.467 -0.681 517 HB3 HIS 72 2HB HIS 72 -7.590 -1.047 -1.404 518 HD2 HIS 72 2HD HIS 72 -11.364 -2.128 -0.801 519 HE1 HIS 72 1HE HIS 72 -10.896 2.014 -0.008 520 HE2 HIS 72 2HE HIS 72 -12.477 0.053 0.034 521 H ARG 73 H ARG 73 -6.533 -1.316 -3.747 522 HA ARG 73 HA ARG 73 -4.876 -3.621 -3.397 523 HB2 ARG 73 1HB ARG 73 -6.250 -4.211 -5.426 524 HB3 ARG 73 2HB ARG 73 -5.511 -2.842 -6.245 525 HG2 ARG 73 1HG ARG 73 -3.411 -3.842 -6.287 526 HG3 ARG 73 2HG ARG 73 -3.830 -4.991 -5.014 527 HD2 ARG 73 1HD ARG 73 -5.065 -4.965 -7.764 528 HD3 ARG 73 2HD ARG 73 -3.711 -5.991 -7.293 529 HE ARG 73 HE ARG 73 -5.982 -6.274 -5.570 530 HH11 ARG 73 2HH1 ARG 73 -4.561 -7.289 -8.581 531 HH12 ARG 73 1HH1 ARG 73 -5.416 -8.795 -8.628 532 HH21 ARG 73 2HH2 ARG 73 -7.114 -8.254 -5.619 533 HH22 ARG 73 1HH2 ARG 73 -6.869 -9.342 -6.943 534 H LEU 74 H LEU 74 -2.690 -3.176 -3.718 535 HA LEU 74 HA LEU 74 -1.912 -0.602 -4.815 536 HB2 LEU 74 1HB LEU 74 -2.332 0.062 -2.579 537 HB3 LEU 74 2HB LEU 74 -1.529 -1.368 -1.933 538 HG LEU 74 HG LEU 74 0.586 -0.340 -3.076 539 HD11 LEU 74 1HD1 LEU 74 0.602 2.054 -3.187 540 HD12 LEU 74 2HD1 LEU 74 -1.064 2.138 -2.616 541 HD13 LEU 74 3HD1 LEU 74 -0.709 1.454 -4.203 542 HD21 LEU 74 1HD2 LEU 74 -0.307 1.161 -0.663 543 HD22 LEU 74 2HD2 LEU 74 1.246 0.400 -1.010 544 HD23 LEU 74 3HD2 LEU 74 -0.143 -0.593 -0.566 545 H ILE 75 H ILE 75 -0.402 -1.202 -6.221 546 HA ILE 75 HA ILE 75 1.508 -3.299 -5.442 547 HB ILE 75 HB ILE 75 0.813 -2.272 -8.196 548 HG12 ILE 75 1HG1 ILE 75 0.149 -4.858 -8.272 549 HG13 ILE 75 2HG1 ILE 75 -0.088 -4.584 -6.550 550 HG21 ILE 75 1HG2 ILE 75 2.262 -3.973 -9.068 551 HG22 ILE 75 2HG2 ILE 75 3.177 -2.989 -7.927 552 HG23 ILE 75 3HG2 ILE 75 2.595 -4.583 -7.447 553 HD11 ILE 75 1HD1 ILE 75 -1.401 -3.028 -8.764 554 HD12 ILE 75 2HD1 ILE 75 -2.153 -4.307 -7.810 555 HD13 ILE 75 3HD1 ILE 75 -1.661 -2.802 -7.035 556 H LEU 76 H LEU 76 3.608 -2.840 -5.201 557 HA LEU 76 HA LEU 76 4.504 -0.126 -5.910 558 HB2 LEU 76 1HB LEU 76 5.688 -1.959 -3.835 559 HB3 LEU 76 2HB LEU 76 6.093 -0.267 -4.117 560 HG LEU 76 HG LEU 76 3.321 -1.041 -3.291 561 HD11 LEU 76 1HD1 LEU 76 3.845 -1.396 -1.137 562 HD12 LEU 76 2HD1 LEU 76 5.159 -0.219 -1.153 563 HD13 LEU 76 3HD1 LEU 76 5.423 -1.844 -1.786 564 HD21 LEU 76 1HD2 LEU 76 4.606 1.354 -3.923 565 HD22 LEU 76 2HD2 LEU 76 4.456 1.356 -2.166 566 HD23 LEU 76 3HD2 LEU 76 3.022 1.157 -3.174 567 H HIS 77 H HIS 77 5.356 -0.405 -7.917 568 HA HIS 77 HA HIS 77 7.047 -2.653 -8.545 569 HB2 HIS 77 1HB HIS 77 6.928 -0.243 -10.299 570 HB3 HIS 77 2HB HIS 77 6.945 -1.949 -10.736 571 HD1 HIS 77 1HD HIS 77 4.690 -3.154 -10.895 572 HD2 HIS 77 2HD HIS 77 4.381 0.815 -9.707 573 HE1 HIS 77 1HE HIS 77 2.243 -2.595 -11.048 574 HE2 HIS 77 2HE HIS 77 2.091 -0.164 -10.406 575 H ALA 78 H ALA 78 9.205 -2.755 -8.445 576 HA ALA 78 HA ALA 78 11.398 -2.130 -8.268 577 HB1 ALA 78 1HB ALA 78 10.268 0.016 -9.596 578 HB2 ALA 78 2HB ALA 78 11.094 0.755 -8.222 579 HB3 ALA 78 3HB ALA 78 11.990 -0.271 -9.343 580 H VAL 79 H VAL 79 10.182 -2.815 -6.012 581 HA VAL 79 HA VAL 79 10.194 -0.835 -3.970 582 HB VAL 79 HB VAL 79 10.061 -2.734 -2.397 583 HG11 VAL 79 1HG1 VAL 79 8.111 -1.799 -3.846 584 HG12 VAL 79 2HG1 VAL 79 8.191 -3.375 -4.637 585 HG13 VAL 79 3HG1 VAL 79 7.875 -3.271 -2.905 586 HG21 VAL 79 1HG2 VAL 79 11.272 -4.509 -3.142 587 HG22 VAL 79 2HG2 VAL 79 9.688 -5.001 -3.741 588 HG23 VAL 79 3HG2 VAL 79 10.843 -4.235 -4.831 589 H LYS 80 H LYS 80 11.839 -0.017 -2.856 590 HA LYS 80 HA LYS 80 14.524 -0.928 -3.367 591 HB2 LYS 80 1HB LYS 80 13.433 1.274 -1.609 592 HB3 LYS 80 2HB LYS 80 15.148 0.953 -1.827 593 HG2 LYS 80 1HG LYS 80 14.788 2.646 -3.335 594 HG3 LYS 80 2HG LYS 80 14.607 1.216 -4.355 595 HD2 LYS 80 1HD LYS 80 12.213 1.361 -4.231 596 HD3 LYS 80 2HD LYS 80 12.308 2.659 -3.039 597 HE2 LYS 80 1HE LYS 80 12.958 4.225 -4.601 598 HE3 LYS 80 2HE LYS 80 13.623 3.013 -5.694 599 HZ1 LYS 80 1HZ LYS 80 11.695 2.855 -6.754 600 HZ2 LYS 80 2HZ LYS 80 11.177 4.221 -5.901 601 HZ3 LYS 80 3HZ LYS 80 10.817 2.674 -5.319 602 H HIS 81 H HIS 81 16.032 -1.592 -1.765 603 HA HIS 81 HA HIS 81 14.913 -3.395 0.160 604 HB2 HIS 81 1HB HIS 81 16.878 -4.204 -0.807 605 HB3 HIS 81 2HB HIS 81 17.699 -2.652 -0.672 606 HD1 HIS 81 1HD HIS 81 16.585 -5.552 1.487 607 HD2 HIS 81 2HD HIS 81 19.227 -2.347 1.577 608 HE1 HIS 81 1HE HIS 81 17.976 -5.885 3.555 609 HE2 HIS 81 2HE HIS 81 19.510 -3.889 3.634 610 H GLN 82 H GLN 82 16.672 -0.329 0.308 611 HA GLN 82 HA GLN 82 17.206 -0.061 2.958 612 HB2 GLN 82 1HB GLN 82 16.833 2.381 2.674 613 HB3 GLN 82 2HB GLN 82 17.805 1.669 1.392 614 HG2 GLN 82 1HG GLN 82 16.138 1.895 -0.184 615 HG3 GLN 82 2HG GLN 82 14.860 1.968 1.028 616 HE21 GLN 82 1HE2 GLN 82 17.738 3.749 -0.027 617 HE22 GLN 82 2HE2 GLN 82 17.064 5.322 0.209 618 H ASP 83 H ASP 83 14.090 -0.180 1.476 619 HA ASP 83 HA ASP 83 12.775 0.709 3.938 620 HB2 ASP 83 1HB ASP 83 11.938 0.450 1.089 621 HB3 ASP 83 2HB ASP 83 10.700 0.267 2.329 622 H SER 84 H SER 84 14.189 -1.839 3.759 623 HA SER 84 HA SER 84 12.633 -4.064 3.344 624 HB2 SER 84 1HB SER 84 14.062 -5.221 4.961 625 HB3 SER 84 2HB SER 84 15.027 -4.140 3.956 626 HG SER 84 HG SER 84 15.420 -2.898 5.639 627 H GLY 85 H GLY 85 11.429 -5.439 4.783 628 HA2 GLY 85 1HA GLY 85 9.587 -5.717 6.143 629 HA3 GLY 85 2HA GLY 85 10.632 -4.985 7.352 630 H ALA 86 H ALA 86 9.073 -3.633 4.454 631 HA ALA 86 HA ALA 86 8.367 -1.225 5.779 632 HB1 ALA 86 1HB ALA 86 7.984 -0.499 3.712 633 HB2 ALA 86 2HB ALA 86 8.485 -2.093 3.146 634 HB3 ALA 86 3HB ALA 86 6.777 -1.751 3.422 635 H LEU 87 H LEU 87 6.021 -0.423 5.698 636 HA LEU 87 HA LEU 87 4.245 -2.544 6.713 637 HB2 LEU 87 1HB LEU 87 5.226 -0.641 8.266 638 HB3 LEU 87 2HB LEU 87 3.895 0.282 7.571 639 HG LEU 87 HG LEU 87 3.135 -0.577 9.643 640 HD11 LEU 87 1HD1 LEU 87 1.631 -0.785 7.619 641 HD12 LEU 87 2HD1 LEU 87 1.220 -1.792 9.006 642 HD13 LEU 87 3HD1 LEU 87 2.035 -2.502 7.613 643 HD21 LEU 87 1HD2 LEU 87 3.153 -3.330 9.522 644 HD22 LEU 87 2HD2 LEU 87 4.237 -2.324 10.484 645 HD23 LEU 87 3HD2 LEU 87 4.737 -2.883 8.887 646 H VAL 88 H VAL 88 2.836 -2.936 5.121 647 HA VAL 88 HA VAL 88 1.626 -0.640 3.728 648 HB VAL 88 HB VAL 88 1.645 -3.515 2.808 649 HG11 VAL 88 1HG1 VAL 88 0.137 -1.282 2.000 650 HG12 VAL 88 2HG1 VAL 88 1.342 -1.560 0.740 651 HG13 VAL 88 3HG1 VAL 88 0.246 -2.858 1.215 652 HG21 VAL 88 1HG2 VAL 88 3.364 -2.805 1.196 653 HG22 VAL 88 2HG2 VAL 88 3.436 -1.230 1.986 654 HG23 VAL 88 3HG2 VAL 88 3.922 -2.680 2.864 655 H GLY 89 H GLY 89 -0.238 -0.102 4.680 656 HA2 GLY 89 1HA GLY 89 -2.233 -2.221 5.067 657 HA3 GLY 89 2HA GLY 89 -1.859 -1.166 6.422 658 H PHE 90 H PHE 90 -4.413 -1.484 5.166 659 HA PHE 90 HA PHE 90 -4.772 1.186 3.973 660 HB2 PHE 90 1HB PHE 90 -5.491 -0.307 2.328 661 HB3 PHE 90 2HB PHE 90 -6.179 -1.422 3.503 662 HD1 PHE 90 2HD PHE 90 -6.648 1.916 1.965 663 HD2 PHE 90 1HD PHE 90 -8.442 -1.325 4.061 664 HE1 PHE 90 2HE PHE 90 -8.867 2.918 1.608 665 HE2 PHE 90 1HE PHE 90 -10.664 -0.329 3.706 666 HZ PHE 90 HZ PHE 90 -10.878 1.796 2.480 667 H SER 91 H SER 91 -5.392 2.533 5.541 668 HA SER 91 HA SER 91 -7.096 1.610 7.705 669 HB2 SER 91 1HB SER 91 -6.773 3.934 8.583 670 HB3 SER 91 2HB SER 91 -5.265 3.059 8.323 671 HG SER 91 HG SER 91 -5.013 4.195 6.373 672 H CYS 92 H CYS 92 -9.227 1.890 7.808 673 HA CYS 92 HA CYS 92 -10.499 4.005 6.251 674 HB2 CYS 92 1HB CYS 92 -11.821 2.657 4.948 675 HB3 CYS 92 2HB CYS 92 -10.395 1.634 5.064 676 HG CYS 92 HG CYS 92 -13.187 1.300 7.016 677 HA PRO 93 HA PRO 93 -13.115 4.414 9.749 678 HB2 PRO 93 1HB PRO 93 -15.438 5.227 8.604 679 HB3 PRO 93 2HB PRO 93 -14.011 6.264 8.723 680 HG2 PRO 93 1HG PRO 93 -14.997 4.658 6.396 681 HG3 PRO 93 2HG PRO 93 -14.356 6.311 6.424 682 HD2 PRO 93 1HD PRO 93 -12.864 4.183 5.664 683 HD3 PRO 93 2HD PRO 93 -12.166 5.595 6.482 684 H GLY 94 H GLY 94 -13.043 2.012 10.050 685 HA2 GLY 94 1HA GLY 94 -15.232 0.821 10.892 686 HA3 GLY 94 2HA GLY 94 -15.455 0.612 9.161 687 H VAL 95 H VAL 95 -12.358 0.461 9.077 688 HA VAL 95 HA VAL 95 -11.981 -2.205 10.218 689 HB VAL 95 HB VAL 95 -11.630 -1.561 7.290 690 HG11 VAL 95 1HG1 VAL 95 -10.837 -4.092 8.724 691 HG12 VAL 95 2HG1 VAL 95 -10.636 -3.732 7.008 692 HG13 VAL 95 3HG1 VAL 95 -9.709 -2.836 8.213 693 HG21 VAL 95 1HG2 VAL 95 -13.407 -2.909 6.869 694 HG22 VAL 95 2HG2 VAL 95 -13.087 -3.952 8.254 695 HG23 VAL 95 3HG2 VAL 95 -13.867 -2.389 8.490 696 H GLN 96 H GLN 96 -9.813 -2.789 10.539 697 HA GLN 96 HA GLN 96 -7.754 -0.842 9.844 698 HB2 GLN 96 1HB GLN 96 -8.397 -0.029 11.988 699 HB3 GLN 96 2HB GLN 96 -8.461 -1.653 12.660 700 HG2 GLN 96 1HG GLN 96 -5.923 -1.687 12.030 701 HG3 GLN 96 2HG GLN 96 -6.104 0.066 12.074 702 HE21 GLN 96 1HE2 GLN 96 -5.287 -2.559 13.853 703 HE22 GLN 96 2HE2 GLN 96 -5.578 -1.942 15.440 704 H ASP 97 H ASP 97 -6.360 -2.066 8.757 705 HA ASP 97 HA ASP 97 -5.125 -4.323 10.079 706 HB2 ASP 97 1HB ASP 97 -7.215 -5.102 8.716 707 HB3 ASP 97 2HB ASP 97 -6.173 -4.851 7.319 708 H SER 98 H SER 98 -3.197 -5.075 8.961 709 HA SER 98 HA SER 98 -2.207 -3.522 6.736 710 HB2 SER 98 1HB SER 98 -0.236 -2.655 7.914 711 HB3 SER 98 2HB SER 98 -1.719 -2.032 8.637 712 HG SER 98 HG SER 98 -1.429 -3.303 10.372 713 H ALA 99 H ALA 99 0.062 -4.214 6.158 714 HA ALA 99 HA ALA 99 0.570 -6.996 6.978 715 HB1 ALA 99 1HB ALA 99 1.252 -6.351 4.196 716 HB2 ALA 99 2HB ALA 99 0.508 -7.797 4.880 717 HB3 ALA 99 3HB ALA 99 -0.475 -6.369 4.555 718 H ALA 100 H ALA 100 2.817 -7.699 6.111 719 HA ALA 100 HA ALA 100 4.711 -5.495 6.611 720 HB1 ALA 100 1HB ALA 100 5.027 -8.411 7.314 721 HB2 ALA 100 2HB ALA 100 6.218 -7.143 7.603 722 HB3 ALA 100 3HB ALA 100 4.668 -7.105 8.443 723 H LEU 101 H LEU 101 6.051 -5.020 5.002 724 HA LEU 101 HA LEU 101 6.331 -6.937 2.797 725 HB2 LEU 101 1HB LEU 101 5.541 -4.926 1.937 726 HB3 LEU 101 2HB LEU 101 6.563 -3.961 2.999 727 HG LEU 101 HG LEU 101 8.533 -4.783 1.648 728 HD11 LEU 101 1HD1 LEU 101 7.645 -6.704 0.582 729 HD12 LEU 101 2HD1 LEU 101 7.929 -5.508 -0.682 730 HD13 LEU 101 3HD1 LEU 101 6.293 -5.792 -0.089 731 HD21 LEU 101 1HD2 LEU 101 8.211 -2.659 1.012 732 HD22 LEU 101 2HD2 LEU 101 6.462 -2.858 0.893 733 HD23 LEU 101 3HD2 LEU 101 7.501 -3.362 -0.441 734 H THR 102 H THR 102 8.040 -8.219 3.135 735 HA THR 102 HA THR 102 10.480 -7.129 4.306 736 HB THR 102 HB THR 102 9.711 -9.962 3.587 737 HG1 THR 102 1HG THR 102 10.267 -8.948 6.169 738 HG21 THR 102 1HG2 THR 102 11.860 -10.209 5.213 739 HG22 THR 102 2HG2 THR 102 12.302 -8.758 4.313 740 HG23 THR 102 3HG2 THR 102 11.949 -10.256 3.453 741 H ILE 103 H ILE 103 12.280 -6.688 3.187 742 HA ILE 103 HA ILE 103 12.434 -7.595 0.388 743 HB ILE 103 HB ILE 103 13.277 -4.892 1.441 744 HG12 ILE 103 1HG1 ILE 103 11.184 -5.417 -0.654 745 HG13 ILE 103 2HG1 ILE 103 10.771 -5.434 1.057 746 HG21 ILE 103 1HG2 ILE 103 13.550 -4.489 -1.092 747 HG22 ILE 103 2HG2 ILE 103 14.812 -5.372 -0.234 748 HG23 ILE 103 3HG2 ILE 103 13.629 -6.247 -1.206 749 HD11 ILE 103 1HD1 ILE 103 10.330 -3.266 0.651 750 HD12 ILE 103 2HD1 ILE 103 12.062 -3.095 0.936 751 HD13 ILE 103 3HD1 ILE 103 11.443 -3.179 -0.713 752 H GLN 104 H GLN 104 14.111 -8.899 0.123 753 HA GLN 104 HA GLN 104 16.402 -8.688 1.929 754 HB2 GLN 104 1HB GLN 104 15.585 -10.840 -0.028 755 HB3 GLN 104 2HB GLN 104 17.051 -10.892 0.942 756 HG2 GLN 104 1HG GLN 104 14.256 -10.765 2.050 757 HG3 GLN 104 2HG GLN 104 15.214 -12.235 1.879 758 HE21 GLN 104 1HE2 GLN 104 14.096 -10.827 4.248 759 HE22 GLN 104 2HE2 GLN 104 15.441 -10.596 5.307 760 H GLU 105 H GLU 105 18.568 -8.732 1.113 761 HA GLU 105 HA GLU 105 18.893 -7.055 -1.202 762 HB2 GLU 105 1HB GLU 105 20.963 -8.355 0.576 763 HB3 GLU 105 2HB GLU 105 21.290 -7.130 -0.641 764 HG2 GLU 105 1HG GLU 105 19.940 -5.524 0.586 765 HG3 GLU 105 2HG GLU 105 19.564 -6.751 1.795 766 H SER 106 H SER 106 19.473 -7.629 -3.207 767 HA SER 106 HA SER 106 19.258 -10.260 -4.104 768 HB2 SER 106 1HB SER 106 20.379 -7.750 -5.310 769 HB3 SER 106 2HB SER 106 20.542 -9.285 -6.162 770 HG SER 106 HG SER 106 18.149 -7.998 -5.354 771 H SER 107 H SER 107 22.186 -8.305 -3.582 772 HA SER 107 HA SER 107 23.804 -10.742 -3.813 773 HB2 SER 107 1HB SER 107 24.489 -7.808 -3.968 774 HB3 SER 107 2HB SER 107 25.729 -9.051 -3.807 775 HG SER 107 HG SER 107 23.976 -8.547 -5.943 776 H GLY 108 H GLY 108 25.536 -11.098 -2.261 777 HA2 GLY 108 1HA GLY 108 25.062 -9.853 0.365 778 HA3 GLY 108 2HA GLY 108 25.084 -11.604 0.222 779 HA PRO 109 HA PRO 109 29.384 -9.921 1.117 780 HB2 PRO 109 1HB PRO 109 29.725 -11.209 3.482 781 HB3 PRO 109 2HB PRO 109 29.003 -9.600 3.360 782 HG2 PRO 109 1HG PRO 109 27.662 -12.261 3.647 783 HG3 PRO 109 2HG PRO 109 27.293 -10.729 4.460 784 HD2 PRO 109 1HD PRO 109 25.868 -11.634 2.343 785 HD3 PRO 109 2HD PRO 109 26.125 -9.905 2.652 786 H SER 110 H SER 110 30.476 -11.096 -0.376 787 HA SER 110 HA SER 110 30.985 -13.921 0.267 788 HB2 SER 110 1HB SER 110 30.552 -12.790 -2.508 789 HB3 SER 110 2HB SER 110 30.973 -14.460 -2.131 790 HG SER 110 HG SER 110 28.732 -13.407 -0.866 791 H SER 111 H SER 111 32.100 -11.390 -1.990 792 HA SER 111 HA SER 111 34.863 -12.213 -1.423 793 HB2 SER 111 1HB SER 111 33.499 -11.041 -3.796 794 HB3 SER 111 2HB SER 111 35.180 -10.585 -3.521 795 HG SER 111 HG SER 111 34.522 -12.647 -4.773 796 H GLY 112 H GLY 112 36.488 -10.599 -1.094 797 HA2 GLY 112 1HA GLY 112 36.877 -8.130 -0.906 798 HA3 GLY 112 2HA GLY 112 35.387 -8.095 0.024 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -17.061 8.533 14.375 2 HA2 GLY 1 1HA GLY 1 -17.216 10.903 12.813 3 HA3 GLY 1 2HA GLY 1 -15.756 10.909 13.791 4 H SER 2 H SER 2 -16.263 10.684 10.831 5 HA SER 2 HA SER 2 -14.606 8.289 10.405 6 HB2 SER 2 1HB SER 2 -15.783 7.840 8.311 7 HB3 SER 2 2HB SER 2 -16.924 7.850 9.655 8 HG SER 2 HG SER 2 -17.936 9.401 8.686 9 H SER 3 H SER 3 -12.921 8.499 9.002 10 HA SER 3 HA SER 3 -12.010 11.135 8.426 11 HB2 SER 3 1HB SER 3 -10.623 8.994 8.900 12 HB3 SER 3 2HB SER 3 -10.842 8.656 7.183 13 HG SER 3 HG SER 3 -9.222 9.954 6.904 14 H GLY 4 H GLY 4 -13.322 12.209 7.009 15 HA2 GLY 4 1HA GLY 4 -13.400 12.833 4.671 16 HA3 GLY 4 2HA GLY 4 -13.384 11.123 4.268 17 H SER 5 H SER 5 -15.257 10.541 3.412 18 HA SER 5 HA SER 5 -17.696 11.950 4.091 19 HB2 SER 5 1HB SER 5 -17.114 9.723 2.129 20 HB3 SER 5 2HB SER 5 -18.709 10.440 2.352 21 HG SER 5 HG SER 5 -16.587 11.370 0.950 22 H SER 6 H SER 6 -19.681 10.757 4.626 23 HA SER 6 HA SER 6 -19.229 9.011 6.846 24 HB2 SER 6 1HB SER 6 -21.705 8.986 7.023 25 HB3 SER 6 2HB SER 6 -21.057 10.623 6.908 26 HG SER 6 HG SER 6 -21.900 10.842 4.952 27 H GLY 7 H GLY 7 -19.154 6.860 6.872 28 HA2 GLY 7 1HA GLY 7 -20.731 5.066 5.523 29 HA3 GLY 7 2HA GLY 7 -19.385 5.372 4.435 30 H THR 8 H THR 8 -20.174 2.916 5.861 31 HA THR 8 HA THR 8 -17.553 2.316 6.986 32 HB THR 8 HB THR 8 -18.510 1.172 8.949 33 HG1 THR 8 1HG THR 8 -20.592 0.836 8.947 34 HG21 THR 8 1HG2 THR 8 -19.543 3.983 9.032 35 HG22 THR 8 2HG2 THR 8 -17.814 3.674 8.872 36 HG23 THR 8 3HG2 THR 8 -18.692 3.069 10.277 37 H ALA 9 H ALA 9 -17.095 0.042 7.098 38 HA ALA 9 HA ALA 9 -18.989 -1.795 5.890 39 HB1 ALA 9 1HB ALA 9 -16.293 -1.539 4.596 40 HB2 ALA 9 2HB ALA 9 -17.727 -2.382 4.008 41 HB3 ALA 9 3HB ALA 9 -17.688 -0.619 4.031 42 H ARG 10 H ARG 10 -17.547 -3.974 5.459 43 HA ARG 10 HA ARG 10 -16.060 -4.428 7.963 44 HB2 ARG 10 1HB ARG 10 -18.245 -5.989 6.677 45 HB3 ARG 10 2HB ARG 10 -16.965 -6.888 7.480 46 HG2 ARG 10 1HG ARG 10 -17.418 -5.371 9.491 47 HG3 ARG 10 2HG ARG 10 -18.917 -4.949 8.661 48 HD2 ARG 10 1HD ARG 10 -19.560 -7.300 8.604 49 HD3 ARG 10 2HD ARG 10 -18.046 -7.743 9.392 50 HE ARG 10 HE ARG 10 -19.698 -5.867 10.848 51 HH11 ARG 10 2HH1 ARG 10 -18.845 -9.199 10.313 52 HH12 ARG 10 1HH1 ARG 10 -19.435 -9.733 11.852 53 HH21 ARG 10 2HH2 ARG 10 -20.478 -6.558 12.877 54 HH22 ARG 10 1HH2 ARG 10 -20.364 -8.230 13.309 55 H LEU 11 H LEU 11 -14.743 -6.547 7.790 56 HA LEU 11 HA LEU 11 -13.294 -6.467 5.232 57 HB2 LEU 11 1HB LEU 11 -12.036 -5.815 7.261 58 HB3 LEU 11 2HB LEU 11 -12.328 -7.422 7.923 59 HG LEU 11 HG LEU 11 -11.056 -8.352 5.966 60 HD11 LEU 11 1HD1 LEU 11 -10.661 -5.426 5.474 61 HD12 LEU 11 2HD1 LEU 11 -11.085 -6.702 4.334 62 HD13 LEU 11 3HD1 LEU 11 -9.445 -6.602 4.974 63 HD21 LEU 11 1HD2 LEU 11 -9.755 -6.540 7.979 64 HD22 LEU 11 2HD2 LEU 11 -8.819 -7.545 6.873 65 HD23 LEU 11 3HD2 LEU 11 -9.925 -8.294 8.025 66 H VAL 12 H VAL 12 -12.896 -8.312 4.094 67 HA VAL 12 HA VAL 12 -14.088 -10.795 5.148 68 HB VAL 12 HB VAL 12 -14.205 -11.279 2.531 69 HG11 VAL 12 1HG1 VAL 12 -16.367 -11.403 3.028 70 HG12 VAL 12 2HG1 VAL 12 -16.017 -10.597 4.558 71 HG13 VAL 12 3HG1 VAL 12 -16.486 -9.648 3.147 72 HG21 VAL 12 1HG2 VAL 12 -14.922 -9.257 1.325 73 HG22 VAL 12 2HG2 VAL 12 -14.497 -8.282 2.732 74 HG23 VAL 12 3HG2 VAL 12 -13.243 -9.156 1.853 75 H ALA 13 H ALA 13 -11.536 -9.387 3.155 76 HA ALA 13 HA ALA 13 -9.909 -11.777 3.680 77 HB1 ALA 13 1HB ALA 13 -9.260 -12.062 1.485 78 HB2 ALA 13 2HB ALA 13 -10.957 -11.616 1.303 79 HB3 ALA 13 3HB ALA 13 -9.695 -10.414 1.031 80 H GLY 14 H GLY 14 -8.930 -10.486 5.337 81 HA2 GLY 14 1HA GLY 14 -7.816 -7.982 5.107 82 HA3 GLY 14 2HA GLY 14 -7.151 -9.256 6.117 83 H LEU 15 H LEU 15 -5.372 -7.542 5.170 84 HA LEU 15 HA LEU 15 -4.324 -8.077 2.609 85 HB2 LEU 15 1HB LEU 15 -3.086 -6.950 5.107 86 HB3 LEU 15 2HB LEU 15 -2.208 -7.088 3.585 87 HG LEU 15 HG LEU 15 -4.798 -5.609 3.626 88 HD11 LEU 15 1HD1 LEU 15 -3.403 -3.537 4.113 89 HD12 LEU 15 2HD1 LEU 15 -2.196 -4.642 4.769 90 HD13 LEU 15 3HD1 LEU 15 -3.808 -4.574 5.482 91 HD21 LEU 15 1HD2 LEU 15 -2.982 -6.182 1.683 92 HD22 LEU 15 2HD2 LEU 15 -2.448 -4.583 2.204 93 HD23 LEU 15 3HD2 LEU 15 -4.104 -4.822 1.643 94 H GLU 16 H GLU 16 -2.308 -9.155 2.087 95 HA GLU 16 HA GLU 16 -1.722 -11.422 3.876 96 HB2 GLU 16 1HB GLU 16 -1.314 -12.791 1.852 97 HB3 GLU 16 2HB GLU 16 -2.982 -12.252 1.988 98 HG2 GLU 16 1HG GLU 16 -2.394 -10.383 0.415 99 HG3 GLU 16 2HG GLU 16 -0.849 -11.193 0.157 100 H ASP 17 H ASP 17 0.346 -11.663 4.425 101 HA ASP 17 HA ASP 17 2.316 -9.823 4.005 102 HB2 ASP 17 1HB ASP 17 2.507 -11.580 5.684 103 HB3 ASP 17 2HB ASP 17 2.667 -12.799 4.423 104 H VAL 18 H VAL 18 3.753 -9.321 2.454 105 HA VAL 18 HA VAL 18 3.978 -11.122 0.135 106 HB VAL 18 HB VAL 18 3.673 -8.118 0.060 107 HG11 VAL 18 1HG1 VAL 18 4.303 -10.063 -2.157 108 HG12 VAL 18 2HG1 VAL 18 3.840 -8.377 -2.398 109 HG13 VAL 18 3HG1 VAL 18 5.339 -8.769 -1.555 110 HG21 VAL 18 1HG2 VAL 18 1.776 -8.916 -1.554 111 HG22 VAL 18 2HG2 VAL 18 1.913 -10.423 -0.649 112 HG23 VAL 18 3HG2 VAL 18 1.518 -8.923 0.191 113 H GLN 19 H GLN 19 6.005 -11.620 -0.382 114 HA GLN 19 HA GLN 19 8.163 -9.837 0.537 115 HB2 GLN 19 1HB GLN 19 9.481 -11.651 1.198 116 HB3 GLN 19 2HB GLN 19 7.872 -12.084 1.761 117 HG2 GLN 19 1HG GLN 19 7.587 -13.470 -0.271 118 HG3 GLN 19 2HG GLN 19 9.258 -13.110 -0.704 119 HE21 GLN 19 1HE2 GLN 19 10.923 -14.043 0.456 120 HE22 GLN 19 2HE2 GLN 19 10.675 -15.361 1.544 121 H VAL 20 H VAL 20 9.654 -9.256 -0.931 122 HA VAL 20 HA VAL 20 10.059 -10.804 -3.348 123 HB VAL 20 HB VAL 20 9.616 -8.957 -4.879 124 HG11 VAL 20 1HG1 VAL 20 7.834 -10.611 -4.268 125 HG12 VAL 20 2HG1 VAL 20 7.190 -9.406 -3.151 126 HG13 VAL 20 3HG1 VAL 20 7.237 -9.070 -4.883 127 HG21 VAL 20 1HG2 VAL 20 10.022 -7.044 -3.532 128 HG22 VAL 20 2HG2 VAL 20 8.325 -6.978 -4.009 129 HG23 VAL 20 3HG2 VAL 20 8.765 -7.504 -2.384 130 H TYR 21 H TYR 21 11.948 -10.212 -4.500 131 HA TYR 21 HA TYR 21 14.011 -9.137 -2.840 132 HB2 TYR 21 1HB TYR 21 13.899 -10.230 -5.631 133 HB3 TYR 21 2HB TYR 21 15.344 -9.399 -5.068 134 HD1 TYR 21 1HD TYR 21 12.990 -12.021 -3.801 135 HD2 TYR 21 2HD TYR 21 17.023 -10.745 -4.257 136 HE1 TYR 21 1HE TYR 21 13.762 -14.099 -2.736 137 HE2 TYR 21 2HE TYR 21 17.806 -12.820 -3.194 138 HH TYR 21 HH TYR 21 15.678 -14.974 -1.581 139 H ASP 22 H ASP 22 15.352 -7.326 -3.302 140 HA ASP 22 HA ASP 22 14.099 -4.938 -3.742 141 HB2 ASP 22 1HB ASP 22 16.200 -4.645 -2.856 142 HB3 ASP 22 2HB ASP 22 16.937 -5.827 -3.934 143 H GLY 23 H GLY 23 13.958 -3.469 -5.482 144 HA2 GLY 23 1HA GLY 23 13.912 -2.805 -7.708 145 HA3 GLY 23 2HA GLY 23 14.713 -4.308 -8.143 146 H GLU 24 H GLU 24 12.796 -6.036 -6.860 147 HA GLU 24 HA GLU 24 11.006 -6.423 -8.976 148 HB2 GLU 24 1HB GLU 24 10.797 -7.414 -6.127 149 HB3 GLU 24 2HB GLU 24 9.888 -8.044 -7.494 150 HG2 GLU 24 1HG GLU 24 12.863 -8.179 -7.080 151 HG3 GLU 24 2HG GLU 24 11.715 -9.515 -7.020 152 H ASP 25 H ASP 25 8.517 -6.756 -8.267 153 HA ASP 25 HA ASP 25 7.634 -4.136 -7.244 154 HB2 ASP 25 1HB ASP 25 5.525 -4.780 -8.693 155 HB3 ASP 25 2HB ASP 25 6.939 -4.040 -9.439 156 H ALA 26 H ALA 26 6.613 -4.240 -5.367 157 HA ALA 26 HA ALA 26 5.409 -6.776 -4.528 158 HB1 ALA 26 1HB ALA 26 6.519 -6.265 -2.662 159 HB2 ALA 26 2HB ALA 26 6.754 -4.589 -3.160 160 HB3 ALA 26 3HB ALA 26 5.252 -5.072 -2.371 161 H VAL 27 H VAL 27 3.288 -7.047 -4.659 162 HA VAL 27 HA VAL 27 1.546 -4.675 -4.502 163 HB VAL 27 HB VAL 27 1.289 -5.176 -6.735 164 HG11 VAL 27 1HG1 VAL 27 1.299 -7.425 -7.688 165 HG12 VAL 27 2HG1 VAL 27 2.763 -7.126 -6.750 166 HG13 VAL 27 3HG1 VAL 27 1.468 -8.114 -6.074 167 HG21 VAL 27 1HG2 VAL 27 -0.889 -5.845 -6.974 168 HG22 VAL 27 2HG2 VAL 27 -0.715 -7.194 -5.851 169 HG23 VAL 27 3HG2 VAL 27 -0.847 -5.546 -5.236 170 H PHE 28 H PHE 28 -0.241 -4.839 -3.241 171 HA PHE 28 HA PHE 28 -0.626 -7.396 -1.831 172 HB2 PHE 28 1HB PHE 28 -0.949 -4.542 -0.934 173 HB3 PHE 28 2HB PHE 28 -1.749 -5.859 -0.083 174 HD1 PHE 28 1HD PHE 28 -0.449 -7.531 1.126 175 HD2 PHE 28 2HD PHE 28 1.420 -4.224 -0.794 176 HE1 PHE 28 1HE PHE 28 1.606 -7.948 2.414 177 HE2 PHE 28 2HE PHE 28 3.478 -4.637 0.490 178 HZ PHE 28 HZ PHE 28 3.573 -6.501 2.096 179 H SER 29 H SER 29 -2.932 -7.575 -0.906 180 HA SER 29 HA SER 29 -4.999 -6.390 -2.551 181 HB2 SER 29 1HB SER 29 -5.848 -8.417 -3.485 182 HB3 SER 29 2HB SER 29 -4.121 -8.393 -3.838 183 HG SER 29 HG SER 29 -5.564 -10.145 -2.331 184 H LEU 30 H LEU 30 -7.049 -6.532 -1.644 185 HA LEU 30 HA LEU 30 -7.536 -8.168 0.676 186 HB2 LEU 30 1HB LEU 30 -7.881 -6.424 2.254 187 HB3 LEU 30 2HB LEU 30 -6.269 -6.223 1.571 188 HG LEU 30 HG LEU 30 -7.583 -4.546 -0.025 189 HD11 LEU 30 1HD1 LEU 30 -9.195 -3.278 1.463 190 HD12 LEU 30 2HD1 LEU 30 -9.234 -4.718 2.479 191 HD13 LEU 30 3HD1 LEU 30 -9.771 -4.808 0.802 192 HD21 LEU 30 1HD2 LEU 30 -7.067 -2.776 1.791 193 HD22 LEU 30 2HD2 LEU 30 -5.742 -3.725 1.116 194 HD23 LEU 30 3HD2 LEU 30 -6.409 -4.139 2.697 195 H ASP 31 H ASP 31 -9.682 -8.515 1.007 196 HA ASP 31 HA ASP 31 -11.514 -7.155 -0.847 197 HB2 ASP 31 1HB ASP 31 -11.706 -9.840 0.528 198 HB3 ASP 31 2HB ASP 31 -13.011 -9.129 -0.417 199 H LEU 32 H LEU 32 -13.622 -6.554 -0.114 200 HA LEU 32 HA LEU 32 -13.841 -6.207 2.801 201 HB2 LEU 32 1HB LEU 32 -14.728 -4.170 0.771 202 HB3 LEU 32 2HB LEU 32 -14.687 -3.993 2.524 203 HG LEU 32 HG LEU 32 -12.232 -4.290 0.799 204 HD11 LEU 32 1HD1 LEU 32 -12.840 -2.220 0.117 205 HD12 LEU 32 2HD1 LEU 32 -12.107 -1.765 1.654 206 HD13 LEU 32 3HD1 LEU 32 -13.859 -1.930 1.527 207 HD21 LEU 32 1HD2 LEU 32 -11.280 -4.696 2.773 208 HD22 LEU 32 2HD2 LEU 32 -12.736 -4.243 3.661 209 HD23 LEU 32 3HD2 LEU 32 -11.590 -3.002 3.152 210 H SER 33 H SER 33 -16.240 -5.236 3.172 211 HA SER 33 HA SER 33 -17.993 -7.324 2.142 212 HB2 SER 33 1HB SER 33 -19.413 -6.874 3.965 213 HB3 SER 33 2HB SER 33 -17.794 -6.646 4.625 214 HG SER 33 HG SER 33 -19.538 -4.959 4.975 215 H THR 34 H THR 34 -17.557 -3.860 2.009 216 HA THR 34 HA THR 34 -19.287 -3.674 -0.280 217 HB THR 34 HB THR 34 -20.879 -3.524 1.668 218 HG1 THR 34 1HG THR 34 -21.134 -2.461 -0.480 219 HG21 THR 34 1HG2 THR 34 -20.892 -1.196 2.744 220 HG22 THR 34 2HG2 THR 34 -19.217 -1.077 2.204 221 HG23 THR 34 3HG2 THR 34 -19.694 -2.353 3.323 222 H ILE 35 H ILE 35 -19.393 -1.368 -1.086 223 HA ILE 35 HA ILE 35 -16.850 -0.336 -1.455 224 HB ILE 35 HB ILE 35 -19.443 1.204 -1.635 225 HG12 ILE 35 1HG1 ILE 35 -18.891 0.584 -4.176 226 HG13 ILE 35 2HG1 ILE 35 -18.130 -0.802 -3.402 227 HG21 ILE 35 1HG2 ILE 35 -17.882 2.254 -3.543 228 HG22 ILE 35 2HG2 ILE 35 -17.957 2.888 -1.900 229 HG23 ILE 35 3HG2 ILE 35 -16.646 1.805 -2.368 230 HD11 ILE 35 1HD1 ILE 35 -20.721 -0.692 -4.143 231 HD12 ILE 35 2HD1 ILE 35 -20.095 -1.731 -2.862 232 HD13 ILE 35 3HD1 ILE 35 -20.837 -0.183 -2.458 233 H ILE 36 H ILE 36 -15.734 1.439 -0.630 234 HA ILE 36 HA ILE 36 -16.709 3.136 1.404 235 HB ILE 36 HB ILE 36 -16.536 1.012 2.711 236 HG12 ILE 36 1HG1 ILE 36 -14.534 3.060 3.660 237 HG13 ILE 36 2HG1 ILE 36 -16.267 3.368 3.654 238 HG21 ILE 36 1HG2 ILE 36 -14.768 -0.252 2.117 239 HG22 ILE 36 2HG2 ILE 36 -13.800 1.141 1.638 240 HG23 ILE 36 3HG2 ILE 36 -13.930 0.702 3.340 241 HD11 ILE 36 1HD1 ILE 36 -15.989 2.643 5.790 242 HD12 ILE 36 2HD1 ILE 36 -16.325 1.105 4.994 243 HD13 ILE 36 3HD1 ILE 36 -14.663 1.559 5.371 244 H GLN 37 H GLN 37 -15.181 4.706 2.058 245 HA GLN 37 HA GLN 37 -12.826 4.818 0.309 246 HB2 GLN 37 1HB GLN 37 -14.535 6.658 0.200 247 HB3 GLN 37 2HB GLN 37 -14.097 7.083 1.849 248 HG2 GLN 37 1HG GLN 37 -11.788 7.493 1.103 249 HG3 GLN 37 2HG GLN 37 -12.284 7.139 -0.552 250 HE21 GLN 37 1HE2 GLN 37 -11.481 9.584 1.309 251 HE22 GLN 37 2HE2 GLN 37 -12.510 10.831 0.701 252 H GLY 38 H GLY 38 -11.093 3.991 1.308 253 HA2 GLY 38 1HA GLY 38 -10.612 4.804 4.109 254 HA3 GLY 38 2HA GLY 38 -10.081 3.272 3.430 255 H THR 39 H THR 39 -8.002 4.039 4.364 256 HA THR 39 HA THR 39 -6.522 5.529 2.317 257 HB THR 39 HB THR 39 -6.403 6.077 5.286 258 HG1 THR 39 1HG THR 39 -6.665 8.053 3.315 259 HG21 THR 39 1HG2 THR 39 -4.210 6.435 4.951 260 HG22 THR 39 2HG2 THR 39 -4.728 7.888 4.097 261 HG23 THR 39 3HG2 THR 39 -4.380 6.413 3.196 262 H TRP 40 H TRP 40 -4.487 4.787 1.920 263 HA TRP 40 HA TRP 40 -3.785 2.243 3.135 264 HB2 TRP 40 1HB TRP 40 -2.853 3.766 0.727 265 HB3 TRP 40 2HB TRP 40 -1.854 2.472 1.383 266 HD1 TRP 40 HD TRP 40 -5.015 3.089 -0.609 267 HE1 TRP 40 1HE TRP 40 -5.935 0.839 -1.455 268 HE3 TRP 40 3HE TRP 40 -1.993 -0.071 2.042 269 HZ2 TRP 40 2HZ TRP 40 -5.445 -1.911 -1.051 270 HZ3 TRP 40 3HZ TRP 40 -2.284 -2.497 1.755 271 HH2 TRP 40 HH TRP 40 -3.975 -3.396 0.240 272 H PHE 41 H PHE 41 -1.751 1.797 4.079 273 HA PHE 41 HA PHE 41 -0.298 4.175 5.033 274 HB2 PHE 41 1HB PHE 41 -1.392 1.852 6.534 275 HB3 PHE 41 2HB PHE 41 0.174 2.473 7.044 276 HD1 PHE 41 2HD PHE 41 -3.181 3.803 6.088 277 HD2 PHE 41 1HD PHE 41 0.165 4.044 8.707 278 HE1 PHE 41 2HE PHE 41 -4.308 5.585 7.357 279 HE2 PHE 41 1HE PHE 41 -0.956 5.825 9.981 280 HZ PHE 41 HZ PHE 41 -3.195 6.599 9.306 281 H LEU 42 H LEU 42 1.943 3.666 5.778 282 HA LEU 42 HA LEU 42 3.167 1.295 4.653 283 HB2 LEU 42 1HB LEU 42 3.240 2.577 2.691 284 HB3 LEU 42 2HB LEU 42 3.633 4.053 3.570 285 HG LEU 42 HG LEU 42 5.875 3.058 4.071 286 HD11 LEU 42 1HD1 LEU 42 6.623 1.171 2.726 287 HD12 LEU 42 2HD1 LEU 42 5.006 1.000 2.045 288 HD13 LEU 42 3HD1 LEU 42 5.274 0.709 3.764 289 HD21 LEU 42 1HD2 LEU 42 6.475 4.348 2.371 290 HD22 LEU 42 2HD2 LEU 42 4.873 4.183 1.651 291 HD23 LEU 42 3HD2 LEU 42 6.141 3.021 1.258 292 H ASN 43 H ASN 43 4.349 0.617 6.310 293 HA ASN 43 HA ASN 43 5.863 0.560 8.006 294 HB2 ASN 43 1HB ASN 43 6.747 2.934 6.427 295 HB3 ASN 43 2HB ASN 43 7.457 2.684 8.020 296 HD21 ASN 43 1HD2 ASN 43 8.342 2.400 5.089 297 HD22 ASN 43 2HD2 ASN 43 9.160 0.878 5.072 298 H GLY 44 H GLY 44 3.323 1.461 8.644 299 HA2 GLY 44 1HA GLY 44 2.357 2.248 10.607 300 HA3 GLY 44 2HA GLY 44 3.903 2.954 11.052 301 H GLU 45 H GLU 45 4.137 4.369 8.473 302 HA GLU 45 HA GLU 45 2.662 6.722 9.239 303 HB2 GLU 45 1HB GLU 45 4.803 6.076 7.279 304 HB3 GLU 45 2HB GLU 45 3.800 7.480 6.943 305 HG2 GLU 45 1HG GLU 45 4.460 8.556 8.930 306 HG3 GLU 45 2HG GLU 45 5.175 7.082 9.580 307 H GLU 46 H GLU 46 1.689 8.033 7.308 308 HA GLU 46 HA GLU 46 -0.219 6.242 5.966 309 HB2 GLU 46 1HB GLU 46 -1.211 7.867 7.522 310 HB3 GLU 46 2HB GLU 46 -0.473 9.183 6.618 311 HG2 GLU 46 1HG GLU 46 -1.834 8.740 4.714 312 HG3 GLU 46 2HG GLU 46 -2.443 7.248 5.430 313 H LEU 47 H LEU 47 -0.871 6.731 3.797 314 HA LEU 47 HA LEU 47 1.310 7.914 2.236 315 HB2 LEU 47 1HB LEU 47 -0.940 6.070 1.455 316 HB3 LEU 47 2HB LEU 47 0.224 6.747 0.318 317 HG LEU 47 HG LEU 47 1.146 5.103 2.649 318 HD11 LEU 47 1HD1 LEU 47 0.899 3.659 0.133 319 HD12 LEU 47 2HD1 LEU 47 -0.656 4.110 0.831 320 HD13 LEU 47 3HD1 LEU 47 0.491 3.159 1.775 321 HD21 LEU 47 1HD2 LEU 47 2.975 4.587 1.048 322 HD22 LEU 47 2HD2 LEU 47 2.853 6.298 1.457 323 HD23 LEU 47 3HD2 LEU 47 2.242 5.716 -0.092 324 H LYS 48 H LYS 48 0.737 9.164 0.300 325 HA LYS 48 HA LYS 48 -1.830 10.574 0.522 326 HB2 LYS 48 1HB LYS 48 -0.661 12.716 0.058 327 HB3 LYS 48 2HB LYS 48 -0.227 12.012 1.611 328 HG2 LYS 48 1HG LYS 48 1.750 10.978 0.233 329 HG3 LYS 48 2HG LYS 48 1.406 12.324 -0.855 330 HD2 LYS 48 1HD LYS 48 1.561 13.841 1.147 331 HD3 LYS 48 2HD LYS 48 2.159 12.454 2.060 332 HE2 LYS 48 1HE LYS 48 4.140 13.387 1.392 333 HE3 LYS 48 2HE LYS 48 3.849 12.282 0.050 334 HZ1 LYS 48 1HZ LYS 48 4.047 15.110 0.024 335 HZ2 LYS 48 2HZ LYS 48 2.556 14.624 -0.611 336 HZ3 LYS 48 3HZ LYS 48 3.993 14.032 -1.279 337 H SER 49 H SER 49 -2.708 9.673 -1.292 338 HA SER 49 HA SER 49 -1.594 8.949 -3.652 339 HB2 SER 49 1HB SER 49 -3.901 8.535 -3.413 340 HB3 SER 49 2HB SER 49 -4.260 10.230 -3.085 341 HG SER 49 HG SER 49 -4.849 9.891 -5.172 342 H ASN 50 H ASN 50 -2.933 12.203 -3.051 343 HA ASN 50 HA ASN 50 -2.417 13.534 -5.304 344 HB2 ASN 50 1HB ASN 50 -3.228 14.544 -3.157 345 HB3 ASN 50 2HB ASN 50 -1.554 14.614 -2.614 346 HD21 ASN 50 1HD2 ASN 50 -3.935 15.934 -4.752 347 HD22 ASN 50 2HD2 ASN 50 -3.023 17.313 -5.251 348 H GLU 51 H GLU 51 -0.713 14.477 -6.397 349 HA GLU 51 HA GLU 51 1.737 13.141 -6.401 350 HB2 GLU 51 1HB GLU 51 1.189 15.927 -7.436 351 HB3 GLU 51 2HB GLU 51 2.510 14.874 -7.924 352 HG2 GLU 51 1HG GLU 51 -0.419 14.562 -8.488 353 HG3 GLU 51 2HG GLU 51 0.904 14.758 -9.637 354 HA PRO 52 HA PRO 52 3.861 14.954 -2.981 355 HB2 PRO 52 1HB PRO 52 6.371 14.162 -3.646 356 HB3 PRO 52 2HB PRO 52 5.157 13.057 -2.990 357 HG2 PRO 52 1HG PRO 52 5.992 13.483 -5.833 358 HG3 PRO 52 2HG PRO 52 5.669 11.964 -4.977 359 HD2 PRO 52 1HD PRO 52 3.866 13.110 -6.641 360 HD3 PRO 52 2HD PRO 52 3.386 12.169 -5.214 361 H GLU 53 H GLU 53 4.114 17.098 -2.880 362 HA GLU 53 HA GLU 53 6.080 18.353 -4.660 363 HB2 GLU 53 1HB GLU 53 4.664 20.236 -5.100 364 HB3 GLU 53 2HB GLU 53 3.770 18.780 -5.516 365 HG2 GLU 53 1HG GLU 53 2.376 18.958 -3.657 366 HG3 GLU 53 2HG GLU 53 3.461 20.079 -2.837 367 H GLY 54 H GLY 54 7.300 19.965 -3.741 368 HA2 GLY 54 1HA GLY 54 8.041 21.444 -2.111 369 HA3 GLY 54 2HA GLY 54 6.598 21.088 -1.174 370 H GLN 55 H GLN 55 6.728 18.433 -0.731 371 HA GLN 55 HA GLN 55 8.764 18.259 1.261 372 HB2 GLN 55 1HB GLN 55 6.703 16.306 0.250 373 HB3 GLN 55 2HB GLN 55 7.856 15.891 1.511 374 HG2 GLN 55 1HG GLN 55 6.940 18.066 2.641 375 HG3 GLN 55 2HG GLN 55 5.556 17.778 1.588 376 HE21 GLN 55 1HE2 GLN 55 6.792 17.207 4.572 377 HE22 GLN 55 2HE2 GLN 55 5.884 15.800 5.001 378 H VAL 56 H VAL 56 8.065 16.137 -1.524 379 HA VAL 56 HA VAL 56 10.962 15.776 -1.873 380 HB VAL 56 HB VAL 56 10.611 13.389 -2.379 381 HG11 VAL 56 1HG1 VAL 56 9.478 13.872 0.350 382 HG12 VAL 56 2HG1 VAL 56 10.662 12.671 -0.172 383 HG13 VAL 56 3HG1 VAL 56 11.124 14.369 -0.041 384 HG21 VAL 56 1HG2 VAL 56 7.788 13.983 -1.512 385 HG22 VAL 56 2HG2 VAL 56 8.329 13.348 -3.067 386 HG23 VAL 56 3HG2 VAL 56 8.455 12.353 -1.616 387 H GLU 57 H GLU 57 11.578 15.025 -4.014 388 HA GLU 57 HA GLU 57 10.516 16.487 -6.083 389 HB2 GLU 57 1HB GLU 57 11.769 15.063 -7.597 390 HB3 GLU 57 2HB GLU 57 12.716 15.375 -6.149 391 HG2 GLU 57 1HG GLU 57 11.883 13.150 -5.286 392 HG3 GLU 57 2HG GLU 57 11.282 12.853 -6.916 393 HA PRO 58 HA PRO 58 6.788 14.550 -7.360 394 HB2 PRO 58 1HB PRO 58 6.810 15.127 -10.013 395 HB3 PRO 58 2HB PRO 58 6.493 16.341 -8.768 396 HG2 PRO 58 1HG PRO 58 9.030 15.763 -10.249 397 HG3 PRO 58 2HG PRO 58 8.301 17.329 -9.848 398 HD2 PRO 58 1HD PRO 58 10.351 16.271 -8.430 399 HD3 PRO 58 2HD PRO 58 9.102 17.291 -7.687 400 H GLY 59 H GLY 59 6.408 12.441 -7.589 401 HA2 GLY 59 1HA GLY 59 6.384 10.342 -8.554 402 HA3 GLY 59 2HA GLY 59 7.368 10.978 -9.864 403 H ALA 60 H ALA 60 8.339 11.288 -6.529 404 HA ALA 60 HA ALA 60 10.896 10.329 -6.854 405 HB1 ALA 60 1HB ALA 60 10.912 9.976 -4.396 406 HB2 ALA 60 2HB ALA 60 10.274 11.547 -4.881 407 HB3 ALA 60 3HB ALA 60 9.171 10.264 -4.384 408 H LEU 61 H LEU 61 7.955 8.526 -6.174 409 HA LEU 61 HA LEU 61 9.442 6.042 -6.675 410 HB2 LEU 61 1HB LEU 61 8.499 4.919 -4.881 411 HB3 LEU 61 2HB LEU 61 8.896 6.500 -4.212 412 HG LEU 61 HG LEU 61 6.139 6.054 -5.244 413 HD11 LEU 61 1HD1 LEU 61 7.130 5.032 -2.587 414 HD12 LEU 61 2HD1 LEU 61 6.563 4.047 -3.934 415 HD13 LEU 61 3HD1 LEU 61 5.444 5.121 -3.095 416 HD21 LEU 61 1HD2 LEU 61 7.171 8.225 -4.286 417 HD22 LEU 61 2HD2 LEU 61 6.969 7.436 -2.722 418 HD23 LEU 61 3HD2 LEU 61 5.566 7.730 -3.749 419 H ARG 62 H ARG 62 8.180 4.313 -7.545 420 HA ARG 62 HA ARG 62 5.838 5.283 -9.024 421 HB2 ARG 62 1HB ARG 62 7.844 3.107 -9.531 422 HB3 ARG 62 2HB ARG 62 6.282 3.087 -10.338 423 HG2 ARG 62 1HG ARG 62 7.497 4.197 -11.900 424 HG3 ARG 62 2HG ARG 62 6.955 5.570 -10.933 425 HD2 ARG 62 1HD ARG 62 9.051 5.620 -9.745 426 HD3 ARG 62 2HD ARG 62 9.586 4.147 -10.554 427 HE ARG 62 HE ARG 62 8.952 6.327 -12.333 428 HH11 ARG 62 2HH1 ARG 62 11.417 4.774 -10.427 429 HH12 ARG 62 1HH1 ARG 62 12.728 5.427 -11.353 430 HH21 ARG 62 2HH2 ARG 62 10.668 7.193 -13.560 431 HH22 ARG 62 1HH2 ARG 62 12.301 6.804 -13.134 432 H TYR 63 H TYR 63 3.889 4.662 -8.388 433 HA TYR 63 HA TYR 63 3.447 1.978 -7.380 434 HB2 TYR 63 1HB TYR 63 2.377 2.685 -5.321 435 HB3 TYR 63 2HB TYR 63 4.026 3.298 -5.361 436 HD1 TYR 63 1HD TYR 63 4.040 5.726 -6.736 437 HD2 TYR 63 2HD TYR 63 0.905 4.147 -4.331 438 HE1 TYR 63 1HE TYR 63 3.206 8.005 -6.337 439 HE2 TYR 63 2HE TYR 63 0.062 6.421 -3.927 440 HH TYR 63 HH TYR 63 0.537 8.622 -4.115 441 H ARG 64 H ARG 64 1.030 1.682 -6.887 442 HA ARG 64 HA ARG 64 -0.715 3.443 -8.402 443 HB2 ARG 64 1HB ARG 64 0.239 1.761 -10.022 444 HB3 ARG 64 2HB ARG 64 -0.572 0.508 -9.092 445 HG2 ARG 64 1HG ARG 64 -2.709 1.878 -9.513 446 HG3 ARG 64 2HG ARG 64 -1.766 2.673 -10.776 447 HD2 ARG 64 1HD ARG 64 -1.212 0.186 -11.449 448 HD3 ARG 64 2HD ARG 64 -2.719 -0.142 -10.594 449 HE ARG 64 HE ARG 64 -3.436 1.845 -12.243 450 HH11 ARG 64 2HH1 ARG 64 -1.685 -1.113 -12.794 451 HH12 ARG 64 1HH1 ARG 64 -2.235 -1.287 -14.428 452 HH21 ARG 64 2HH2 ARG 64 -4.167 1.626 -14.393 453 HH22 ARG 64 1HH2 ARG 64 -3.646 0.272 -15.336 454 H ILE 65 H ILE 65 -2.547 3.689 -7.313 455 HA ILE 65 HA ILE 65 -3.294 1.627 -5.350 456 HB ILE 65 HB ILE 65 -4.022 4.558 -5.429 457 HG12 ILE 65 1HG1 ILE 65 -2.308 3.017 -3.469 458 HG13 ILE 65 2HG1 ILE 65 -1.679 4.032 -4.763 459 HG21 ILE 65 1HG2 ILE 65 -5.832 3.869 -4.297 460 HG22 ILE 65 2HG2 ILE 65 -5.136 2.286 -3.951 461 HG23 ILE 65 3HG2 ILE 65 -4.709 3.675 -2.951 462 HD11 ILE 65 1HD1 ILE 65 -2.134 4.837 -2.206 463 HD12 ILE 65 2HD1 ILE 65 -2.017 5.906 -3.604 464 HD13 ILE 65 3HD1 ILE 65 -3.598 5.381 -3.025 465 H GLU 66 H GLU 66 -4.988 0.405 -5.820 466 HA GLU 66 HA GLU 66 -6.985 1.436 -7.722 467 HB2 GLU 66 1HB GLU 66 -5.843 -1.276 -7.244 468 HB3 GLU 66 2HB GLU 66 -7.514 -1.167 -7.780 469 HG2 GLU 66 1HG GLU 66 -5.179 0.085 -9.207 470 HG3 GLU 66 2HG GLU 66 -5.893 -1.474 -9.619 471 H GLN 67 H GLN 67 -8.814 2.063 -6.804 472 HA GLN 67 HA GLN 67 -9.788 0.578 -4.452 473 HB2 GLN 67 1HB GLN 67 -9.092 2.781 -3.752 474 HB3 GLN 67 2HB GLN 67 -10.008 3.531 -5.052 475 HG2 GLN 67 1HG GLN 67 -11.394 1.857 -3.004 476 HG3 GLN 67 2HG GLN 67 -10.960 3.528 -2.649 477 HE21 GLN 67 1HE2 GLN 67 -13.459 1.741 -3.480 478 HE22 GLN 67 2HE2 GLN 67 -14.337 2.833 -4.491 479 H LYS 68 H LYS 68 -11.256 -0.755 -5.378 480 HA LYS 68 HA LYS 68 -13.444 0.525 -6.879 481 HB2 LYS 68 1HB LYS 68 -12.163 -2.170 -7.341 482 HB3 LYS 68 2HB LYS 68 -13.702 -1.699 -8.051 483 HG2 LYS 68 1HG LYS 68 -11.394 0.115 -8.458 484 HG3 LYS 68 2HG LYS 68 -11.402 -1.418 -9.332 485 HD2 LYS 68 1HD LYS 68 -12.563 -0.192 -10.845 486 HD3 LYS 68 2HD LYS 68 -13.919 -0.634 -9.806 487 HE2 LYS 68 1HE LYS 68 -14.261 1.613 -9.896 488 HE3 LYS 68 2HE LYS 68 -13.154 1.562 -8.525 489 HZ1 LYS 68 1HZ LYS 68 -11.886 1.747 -11.121 490 HZ2 LYS 68 2HZ LYS 68 -11.541 2.573 -9.685 491 HZ3 LYS 68 3HZ LYS 68 -12.802 3.100 -10.682 492 H GLY 69 H GLY 69 -14.798 0.743 -5.112 493 HA2 GLY 69 1HA GLY 69 -16.346 0.103 -3.543 494 HA3 GLY 69 2HA GLY 69 -16.489 -1.375 -4.483 495 H LEU 70 H LEU 70 -16.088 -3.179 -3.405 496 HA LEU 70 HA LEU 70 -14.610 -3.024 -0.888 497 HB2 LEU 70 1HB LEU 70 -15.449 -5.484 -0.778 498 HB3 LEU 70 2HB LEU 70 -16.562 -4.151 -0.474 499 HG LEU 70 HG LEU 70 -16.389 -5.247 -3.237 500 HD11 LEU 70 1HD1 LEU 70 -18.390 -6.741 -2.229 501 HD12 LEU 70 2HD1 LEU 70 -17.273 -6.749 -0.864 502 HD13 LEU 70 3HD1 LEU 70 -16.739 -7.324 -2.443 503 HD21 LEU 70 1HD2 LEU 70 -18.331 -4.167 -3.515 504 HD22 LEU 70 2HD2 LEU 70 -17.889 -3.312 -2.037 505 HD23 LEU 70 3HD2 LEU 70 -18.967 -4.707 -1.961 506 H GLN 71 H GLN 71 -13.056 -2.778 -3.204 507 HA GLN 71 HA GLN 71 -11.332 -5.104 -2.882 508 HB2 GLN 71 1HB GLN 71 -12.941 -5.308 -4.933 509 HB3 GLN 71 2HB GLN 71 -11.853 -4.142 -5.672 510 HG2 GLN 71 1HG GLN 71 -10.049 -5.616 -5.631 511 HG3 GLN 71 2HG GLN 71 -10.818 -6.666 -4.442 512 HE21 GLN 71 1HE2 GLN 71 -11.144 -8.554 -5.378 513 HE22 GLN 71 2HE2 GLN 71 -11.852 -8.807 -6.933 514 H HIS 72 H HIS 72 -9.555 -4.140 -2.132 515 HA HIS 72 HA HIS 72 -8.598 -1.716 -3.505 516 HB2 HIS 72 1HB HIS 72 -8.121 -2.645 -0.667 517 HB3 HIS 72 2HB HIS 72 -7.338 -1.248 -1.401 518 HD2 HIS 72 2HD HIS 72 -10.824 -2.286 0.011 519 HE1 HIS 72 1HE HIS 72 -10.889 1.872 -0.831 520 HE2 HIS 72 2HE HIS 72 -12.086 -0.045 0.281 521 H ARG 73 H ARG 73 -6.378 -1.529 -3.977 522 HA ARG 73 HA ARG 73 -4.615 -3.770 -3.510 523 HB2 ARG 73 1HB ARG 73 -6.109 -4.117 -5.671 524 HB3 ARG 73 2HB ARG 73 -4.922 -3.034 -6.384 525 HG2 ARG 73 1HG ARG 73 -3.133 -4.574 -5.672 526 HG3 ARG 73 2HG ARG 73 -4.365 -5.676 -5.055 527 HD2 ARG 73 1HD ARG 73 -5.282 -5.960 -7.266 528 HD3 ARG 73 2HD ARG 73 -4.184 -4.743 -7.916 529 HE ARG 73 HE ARG 73 -2.589 -6.681 -6.770 530 HH11 ARG 73 2HH1 ARG 73 -4.967 -6.512 -9.308 531 HH12 ARG 73 1HH1 ARG 73 -4.259 -7.794 -10.235 532 HH21 ARG 73 2HH2 ARG 73 -1.648 -8.370 -7.981 533 HH22 ARG 73 1HH2 ARG 73 -2.372 -8.850 -9.479 534 H LEU 74 H LEU 74 -2.528 -3.141 -3.436 535 HA LEU 74 HA LEU 74 -1.844 -0.496 -4.529 536 HB2 LEU 74 1HB LEU 74 -2.092 -0.142 -2.201 537 HB3 LEU 74 2HB LEU 74 -1.218 -1.621 -1.813 538 HG LEU 74 HG LEU 74 0.823 -0.484 -2.844 539 HD11 LEU 74 1HD1 LEU 74 -0.399 1.305 -3.991 540 HD12 LEU 74 2HD1 LEU 74 0.803 1.943 -2.870 541 HD13 LEU 74 3HD1 LEU 74 -0.904 1.953 -2.430 542 HD21 LEU 74 1HD2 LEU 74 1.386 -0.278 -0.709 543 HD22 LEU 74 2HD2 LEU 74 -0.315 -0.398 -0.259 544 HD23 LEU 74 3HD2 LEU 74 0.407 1.182 -0.569 545 H ILE 75 H ILE 75 -0.445 -0.862 -6.119 546 HA ILE 75 HA ILE 75 1.534 -3.011 -5.813 547 HB ILE 75 HB ILE 75 0.793 -1.499 -8.319 548 HG12 ILE 75 1HG1 ILE 75 -0.120 -3.975 -8.778 549 HG13 ILE 75 2HG1 ILE 75 -0.320 -3.937 -7.029 550 HG21 ILE 75 1HG2 ILE 75 2.370 -4.045 -7.976 551 HG22 ILE 75 2HG2 ILE 75 2.032 -3.208 -9.491 552 HG23 ILE 75 3HG2 ILE 75 3.070 -2.455 -8.280 553 HD11 ILE 75 1HD1 ILE 75 -2.077 -2.570 -7.151 554 HD12 ILE 75 2HD1 ILE 75 -1.328 -1.558 -8.386 555 HD13 ILE 75 3HD1 ILE 75 -2.141 -3.054 -8.845 556 H LEU 76 H LEU 76 3.609 -2.550 -5.482 557 HA LEU 76 HA LEU 76 4.523 0.207 -5.983 558 HB2 LEU 76 1HB LEU 76 5.514 -1.681 -3.853 559 HB3 LEU 76 2HB LEU 76 6.031 -0.015 -4.104 560 HG LEU 76 HG LEU 76 3.170 -0.629 -3.468 561 HD11 LEU 76 1HD1 LEU 76 5.404 -0.329 -1.465 562 HD12 LEU 76 2HD1 LEU 76 4.460 -1.788 -1.763 563 HD13 LEU 76 3HD1 LEU 76 3.680 -0.357 -1.091 564 HD21 LEU 76 1HD2 LEU 76 3.017 1.592 -2.929 565 HD22 LEU 76 2HD2 LEU 76 4.239 1.658 -4.199 566 HD23 LEU 76 3HD2 LEU 76 4.724 1.722 -2.504 567 H HIS 77 H HIS 77 5.494 -0.047 -7.940 568 HA HIS 77 HA HIS 77 7.195 -2.293 -8.518 569 HB2 HIS 77 1HB HIS 77 7.253 0.183 -10.183 570 HB3 HIS 77 2HB HIS 77 7.269 -1.506 -10.683 571 HD1 HIS 77 1HD HIS 77 5.041 -2.591 -11.204 572 HD2 HIS 77 2HD HIS 77 4.658 1.214 -9.580 573 HE1 HIS 77 1HE HIS 77 2.615 -1.987 -11.472 574 HE2 HIS 77 2HE HIS 77 2.424 0.352 -10.559 575 H ALA 78 H ALA 78 9.355 -2.435 -8.345 576 HA ALA 78 HA ALA 78 11.542 -1.858 -8.000 577 HB1 ALA 78 1HB ALA 78 10.428 0.496 -9.101 578 HB2 ALA 78 2HB ALA 78 11.445 0.977 -7.742 579 HB3 ALA 78 3HB ALA 78 12.122 0.007 -9.049 580 H VAL 79 H VAL 79 10.278 -2.719 -5.872 581 HA VAL 79 HA VAL 79 10.227 -0.854 -3.694 582 HB VAL 79 HB VAL 79 9.969 -2.933 -2.285 583 HG11 VAL 79 1HG1 VAL 79 8.160 -1.576 -3.818 584 HG12 VAL 79 2HG1 VAL 79 7.877 -3.248 -4.305 585 HG13 VAL 79 3HG1 VAL 79 7.756 -2.790 -2.605 586 HG21 VAL 79 1HG2 VAL 79 9.334 -4.586 -4.608 587 HG22 VAL 79 2HG2 VAL 79 11.050 -4.210 -4.455 588 HG23 VAL 79 3HG2 VAL 79 10.197 -4.996 -3.126 589 H LYS 80 H LYS 80 11.897 -0.182 -2.533 590 HA LYS 80 HA LYS 80 14.509 -1.339 -2.908 591 HB2 LYS 80 1HB LYS 80 13.545 0.934 -1.164 592 HB3 LYS 80 2HB LYS 80 15.231 0.462 -1.331 593 HG2 LYS 80 1HG LYS 80 15.017 2.243 -2.797 594 HG3 LYS 80 2HG LYS 80 14.872 0.833 -3.848 595 HD2 LYS 80 1HD LYS 80 12.467 1.045 -3.872 596 HD3 LYS 80 2HD LYS 80 12.538 2.362 -2.698 597 HE2 LYS 80 1HE LYS 80 12.223 3.337 -4.849 598 HE3 LYS 80 2HE LYS 80 13.888 3.654 -4.364 599 HZ1 LYS 80 1HZ LYS 80 13.758 1.216 -5.775 600 HZ2 LYS 80 2HZ LYS 80 14.605 2.625 -6.172 601 HZ3 LYS 80 3HZ LYS 80 13.008 2.425 -6.690 602 H HIS 81 H HIS 81 15.846 -2.189 -1.256 603 HA HIS 81 HA HIS 81 14.480 -3.911 0.561 604 HB2 HIS 81 1HB HIS 81 16.507 -4.730 -0.380 605 HB3 HIS 81 2HB HIS 81 17.399 -3.293 0.113 606 HD1 HIS 81 1HD HIS 81 15.388 -5.964 1.953 607 HD2 HIS 81 2HD HIS 81 18.958 -3.856 2.233 608 HE1 HIS 81 1HE HIS 81 16.511 -6.817 4.035 609 HE2 HIS 81 2HE HIS 81 18.628 -5.467 4.230 610 H GLN 82 H GLN 82 16.279 -0.899 0.876 611 HA GLN 82 HA GLN 82 16.725 -0.679 3.541 612 HB2 GLN 82 1HB GLN 82 16.491 1.722 3.319 613 HB3 GLN 82 2HB GLN 82 17.255 1.070 1.876 614 HG2 GLN 82 1HG GLN 82 14.885 1.057 0.884 615 HG3 GLN 82 2HG GLN 82 14.484 2.139 2.216 616 HE21 GLN 82 1HE2 GLN 82 14.242 2.923 -0.411 617 HE22 GLN 82 2HE2 GLN 82 15.419 4.140 -0.756 618 H ASP 83 H ASP 83 13.641 -0.734 1.957 619 HA ASP 83 HA ASP 83 12.276 -0.036 4.460 620 HB2 ASP 83 1HB ASP 83 11.361 -0.143 1.591 621 HB3 ASP 83 2HB ASP 83 10.218 -0.050 2.928 622 H SER 84 H SER 84 13.609 -2.562 4.162 623 HA SER 84 HA SER 84 11.900 -4.662 3.454 624 HB2 SER 84 1HB SER 84 13.403 -6.104 4.650 625 HB3 SER 84 2HB SER 84 14.374 -4.834 3.907 626 HG SER 84 HG SER 84 15.103 -4.732 5.905 627 H GLY 85 H GLY 85 10.891 -6.244 4.932 628 HA2 GLY 85 1HA GLY 85 9.120 -6.599 6.378 629 HA3 GLY 85 2HA GLY 85 10.286 -6.021 7.559 630 H ALA 86 H ALA 86 8.643 -4.254 4.959 631 HA ALA 86 HA ALA 86 8.059 -2.046 6.643 632 HB1 ALA 86 1HB ALA 86 6.380 -1.761 4.491 633 HB2 ALA 86 2HB ALA 86 8.047 -1.190 4.580 634 HB3 ALA 86 3HB ALA 86 7.687 -2.750 3.840 635 H LEU 87 H LEU 87 5.735 -1.167 6.735 636 HA LEU 87 HA LEU 87 3.926 -3.357 7.519 637 HB2 LEU 87 1HB LEU 87 4.987 -1.664 9.258 638 HB3 LEU 87 2HB LEU 87 3.652 -0.649 8.715 639 HG LEU 87 HG LEU 87 2.967 -1.756 10.709 640 HD11 LEU 87 1HD1 LEU 87 1.703 -3.328 8.480 641 HD12 LEU 87 2HD1 LEU 87 1.371 -1.617 8.751 642 HD13 LEU 87 3HD1 LEU 87 0.976 -2.800 9.998 643 HD21 LEU 87 1HD2 LEU 87 4.717 -3.648 10.272 644 HD22 LEU 87 2HD2 LEU 87 3.348 -4.466 9.518 645 HD23 LEU 87 3HD2 LEU 87 3.262 -3.981 11.212 646 H VAL 88 H VAL 88 2.732 -3.474 5.654 647 HA VAL 88 HA VAL 88 1.486 -1.027 4.639 648 HB VAL 88 HB VAL 88 1.414 -3.810 3.464 649 HG11 VAL 88 1HG1 VAL 88 0.078 -3.024 1.854 650 HG12 VAL 88 2HG1 VAL 88 -0.233 -1.670 2.943 651 HG13 VAL 88 3HG1 VAL 88 1.005 -1.533 1.694 652 HG21 VAL 88 1HG2 VAL 88 3.544 -3.429 2.915 653 HG22 VAL 88 2HG2 VAL 88 2.925 -2.212 1.798 654 HG23 VAL 88 3HG2 VAL 88 3.455 -1.739 3.412 655 H GLY 89 H GLY 89 -0.437 -0.485 5.422 656 HA2 GLY 89 1HA GLY 89 -2.445 -2.587 5.814 657 HA3 GLY 89 2HA GLY 89 -2.080 -1.527 7.168 658 H PHE 90 H PHE 90 -4.568 -1.933 5.595 659 HA PHE 90 HA PHE 90 -4.913 0.781 4.515 660 HB2 PHE 90 1HB PHE 90 -5.528 -0.719 2.822 661 HB3 PHE 90 2HB PHE 90 -6.297 -1.826 3.954 662 HD1 PHE 90 2HD PHE 90 -6.637 1.497 2.358 663 HD2 PHE 90 1HD PHE 90 -8.586 -1.680 4.412 664 HE1 PHE 90 2HE PHE 90 -8.819 2.525 1.871 665 HE2 PHE 90 1HE PHE 90 -10.771 -0.658 3.928 666 HZ PHE 90 HZ PHE 90 -10.889 1.448 2.657 667 H SER 91 H SER 91 -5.630 2.106 6.057 668 HA SER 91 HA SER 91 -7.449 1.129 8.110 669 HB2 SER 91 1HB SER 91 -7.138 3.399 9.100 670 HB3 SER 91 2HB SER 91 -5.621 2.532 8.864 671 HG SER 91 HG SER 91 -6.680 4.686 7.382 672 H CYS 92 H CYS 92 -9.576 1.497 8.150 673 HA CYS 92 HA CYS 92 -10.724 3.670 6.588 674 HB2 CYS 92 1HB CYS 92 -11.963 2.407 5.135 675 HB3 CYS 92 2HB CYS 92 -10.578 1.337 5.314 676 HG CYS 92 HG CYS 92 -13.498 1.013 7.072 677 HA PRO 93 HA PRO 93 -13.552 3.961 9.928 678 HB2 PRO 93 1HB PRO 93 -15.797 4.837 8.677 679 HB3 PRO 93 2HB PRO 93 -14.374 5.857 8.923 680 HG2 PRO 93 1HG PRO 93 -15.226 4.350 6.480 681 HG3 PRO 93 2HG PRO 93 -14.579 5.996 6.611 682 HD2 PRO 93 1HD PRO 93 -13.056 3.887 5.860 683 HD3 PRO 93 2HD PRO 93 -12.400 5.261 6.773 684 H GLY 94 H GLY 94 -13.512 1.550 10.139 685 HA2 GLY 94 1HA GLY 94 -15.735 0.333 10.812 686 HA3 GLY 94 2HA GLY 94 -15.889 0.216 9.066 687 H VAL 95 H VAL 95 -12.786 0.041 9.119 688 HA VAL 95 HA VAL 95 -12.476 -2.680 10.135 689 HB VAL 95 HB VAL 95 -12.023 -1.911 7.251 690 HG11 VAL 95 1HG1 VAL 95 -11.064 -4.105 6.916 691 HG12 VAL 95 2HG1 VAL 95 -10.137 -3.234 8.138 692 HG13 VAL 95 3HG1 VAL 95 -11.276 -4.491 8.623 693 HG21 VAL 95 1HG2 VAL 95 -13.627 -3.592 6.729 694 HG22 VAL 95 2HG2 VAL 95 -13.671 -4.157 8.399 695 HG23 VAL 95 3HG2 VAL 95 -14.331 -2.575 7.985 696 H GLN 96 H GLN 96 -10.350 -3.269 10.576 697 HA GLN 96 HA GLN 96 -8.228 -1.356 9.984 698 HB2 GLN 96 1HB GLN 96 -8.823 -2.283 12.799 699 HB3 GLN 96 2HB GLN 96 -7.493 -1.244 12.306 700 HG2 GLN 96 1HG GLN 96 -8.931 0.338 13.047 701 HG3 GLN 96 2HG GLN 96 -9.471 0.236 11.372 702 HE21 GLN 96 1HE2 GLN 96 -10.120 -0.915 14.634 703 HE22 GLN 96 2HE2 GLN 96 -11.811 -1.180 14.402 704 H ASP 97 H ASP 97 -6.769 -2.579 8.992 705 HA ASP 97 HA ASP 97 -5.733 -4.931 10.346 706 HB2 ASP 97 1HB ASP 97 -7.627 -5.635 8.764 707 HB3 ASP 97 2HB ASP 97 -6.539 -5.185 7.454 708 H SER 98 H SER 98 -3.715 -5.710 9.373 709 HA SER 98 HA SER 98 -2.404 -4.021 7.433 710 HB2 SER 98 1HB SER 98 -0.599 -3.281 8.868 711 HB3 SER 98 2HB SER 98 -2.130 -2.770 9.579 712 HG SER 98 HG SER 98 -0.427 -3.877 10.949 713 H ALA 99 H ALA 99 -0.381 -4.877 6.714 714 HA ALA 99 HA ALA 99 0.120 -7.655 7.557 715 HB1 ALA 99 1HB ALA 99 0.415 -6.704 4.720 716 HB2 ALA 99 2HB ALA 99 0.419 -8.361 5.325 717 HB3 ALA 99 3HB ALA 99 -1.073 -7.422 5.337 718 H ALA 100 H ALA 100 2.331 -8.345 6.380 719 HA ALA 100 HA ALA 100 4.284 -6.243 7.060 720 HB1 ALA 100 1HB ALA 100 5.822 -8.274 7.461 721 HB2 ALA 100 2HB ALA 100 4.604 -7.882 8.675 722 HB3 ALA 100 3HB ALA 100 4.322 -9.199 7.537 723 H LEU 101 H LEU 101 5.787 -5.701 5.586 724 HA LEU 101 HA LEU 101 5.786 -7.193 3.051 725 HB2 LEU 101 1HB LEU 101 5.067 -4.960 2.703 726 HB3 LEU 101 2HB LEU 101 6.377 -4.315 3.690 727 HG LEU 101 HG LEU 101 7.978 -5.097 1.934 728 HD11 LEU 101 1HD1 LEU 101 6.263 -6.759 1.005 729 HD12 LEU 101 2HD1 LEU 101 7.259 -5.868 -0.145 730 HD13 LEU 101 3HD1 LEU 101 5.590 -5.376 0.142 731 HD21 LEU 101 1HD2 LEU 101 6.641 -2.783 2.122 732 HD22 LEU 101 2HD2 LEU 101 6.109 -3.296 0.520 733 HD23 LEU 101 3HD2 LEU 101 7.830 -3.111 0.861 734 H THR 102 H THR 102 7.444 -8.556 2.940 735 HA THR 102 HA THR 102 9.985 -7.858 4.212 736 HB THR 102 HB THR 102 9.020 -10.469 3.033 737 HG1 THR 102 1HG THR 102 8.202 -10.631 4.975 738 HG21 THR 102 1HG2 THR 102 11.262 -10.904 4.655 739 HG22 THR 102 2HG2 THR 102 11.688 -9.547 3.611 740 HG23 THR 102 3HG2 THR 102 11.162 -11.074 2.903 741 H ILE 103 H ILE 103 11.903 -7.684 3.105 742 HA ILE 103 HA ILE 103 11.877 -8.033 0.201 743 HB ILE 103 HB ILE 103 12.889 -5.501 1.495 744 HG12 ILE 103 1HG1 ILE 103 10.454 -5.799 -0.264 745 HG13 ILE 103 2HG1 ILE 103 10.368 -5.800 1.494 746 HG21 ILE 103 1HG2 ILE 103 12.515 -6.187 -1.416 747 HG22 ILE 103 2HG2 ILE 103 13.204 -4.704 -0.756 748 HG23 ILE 103 3HG2 ILE 103 14.056 -6.236 -0.561 749 HD11 ILE 103 1HD1 ILE 103 11.421 -3.554 1.483 750 HD12 ILE 103 2HD1 ILE 103 11.308 -3.562 -0.277 751 HD13 ILE 103 3HD1 ILE 103 9.842 -3.615 0.701 752 H GLN 104 H GLN 104 13.511 -9.347 -0.235 753 HA GLN 104 HA GLN 104 15.836 -9.422 1.519 754 HB2 GLN 104 1HB GLN 104 15.100 -11.180 -0.827 755 HB3 GLN 104 2HB GLN 104 16.453 -11.444 0.264 756 HG2 GLN 104 1HG GLN 104 13.567 -11.406 1.112 757 HG3 GLN 104 2HG GLN 104 14.482 -12.865 0.735 758 HE21 GLN 104 1HE2 GLN 104 13.298 -11.295 3.218 759 HE22 GLN 104 2HE2 GLN 104 14.511 -11.573 4.416 760 H GLU 105 H GLU 105 17.670 -8.408 1.068 761 HA GLU 105 HA GLU 105 17.995 -6.838 -1.262 762 HB2 GLU 105 1HB GLU 105 20.344 -6.535 -0.409 763 HB3 GLU 105 2HB GLU 105 19.075 -6.115 0.733 764 HG2 GLU 105 1HG GLU 105 19.377 -8.228 1.884 765 HG3 GLU 105 2HG GLU 105 20.606 -8.706 0.714 766 H SER 106 H SER 106 18.423 -7.564 -3.229 767 HA SER 106 HA SER 106 19.230 -10.152 -3.872 768 HB2 SER 106 1HB SER 106 18.126 -8.634 -5.470 769 HB3 SER 106 2HB SER 106 19.580 -7.637 -5.524 770 HG SER 106 HG SER 106 19.588 -10.392 -6.175 771 H SER 107 H SER 107 21.207 -10.951 -4.754 772 HA SER 107 HA SER 107 23.542 -9.778 -3.455 773 HB2 SER 107 1HB SER 107 22.826 -12.480 -4.483 774 HB3 SER 107 2HB SER 107 24.533 -12.035 -4.484 775 HG SER 107 HG SER 107 24.556 -12.291 -2.406 776 H GLY 108 H GLY 108 25.467 -9.295 -4.550 777 HA2 GLY 108 1HA GLY 108 25.986 -9.660 -7.260 778 HA3 GLY 108 2HA GLY 108 25.137 -8.129 -7.111 779 HA PRO 109 HA PRO 109 29.770 -7.617 -6.409 780 HB2 PRO 109 1HB PRO 109 30.240 -6.021 -8.553 781 HB3 PRO 109 2HB PRO 109 30.344 -7.784 -8.627 782 HG2 PRO 109 1HG PRO 109 28.110 -5.980 -9.475 783 HG3 PRO 109 2HG PRO 109 28.778 -7.399 -10.303 784 HD2 PRO 109 1HD PRO 109 26.489 -7.498 -8.861 785 HD3 PRO 109 2HD PRO 109 27.597 -8.878 -8.989 786 H SER 110 H SER 110 30.417 -5.989 -5.136 787 HA SER 110 HA SER 110 28.781 -3.996 -4.201 788 HB2 SER 110 1HB SER 110 31.178 -4.820 -3.446 789 HB3 SER 110 2HB SER 110 31.712 -3.422 -4.380 790 HG SER 110 HG SER 110 29.828 -3.386 -2.254 791 H SER 111 H SER 111 31.321 -3.623 -6.674 792 HA SER 111 HA SER 111 30.049 -1.097 -7.488 793 HB2 SER 111 1HB SER 111 32.530 -1.192 -6.773 794 HB3 SER 111 2HB SER 111 32.804 -1.979 -8.328 795 HG SER 111 HG SER 111 31.895 0.635 -7.795 796 H GLY 112 H GLY 112 28.553 -1.627 -8.989 797 HA2 GLY 112 1HA GLY 112 28.228 -1.850 -11.368 798 HA3 GLY 112 2HA GLY 112 29.546 -3.012 -11.393 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -21.306 13.435 10.599 2 HA2 GLY 1 1HA GLY 1 -22.657 15.975 11.262 3 HA3 GLY 1 2HA GLY 1 -23.405 14.388 11.371 4 H SER 2 H SER 2 -23.993 14.736 13.534 5 HA SER 2 HA SER 2 -21.874 15.166 15.484 6 HB2 SER 2 1HB SER 2 -23.684 15.316 17.125 7 HB3 SER 2 2HB SER 2 -24.025 16.358 15.743 8 HG SER 2 HG SER 2 -25.458 14.802 14.974 9 H SER 3 H SER 3 -24.289 12.702 14.658 10 HA SER 3 HA SER 3 -23.375 10.860 16.651 11 HB2 SER 3 1HB SER 3 -25.114 10.347 14.226 12 HB3 SER 3 2HB SER 3 -24.929 9.281 15.619 13 HG SER 3 HG SER 3 -25.633 11.400 16.758 14 H GLY 4 H GLY 4 -23.199 10.877 13.086 15 HA2 GLY 4 1HA GLY 4 -20.560 10.191 12.795 16 HA3 GLY 4 2HA GLY 4 -21.388 8.657 13.016 17 H SER 5 H SER 5 -20.389 10.929 10.783 18 HA SER 5 HA SER 5 -22.338 11.011 8.839 19 HB2 SER 5 1HB SER 5 -20.089 12.188 8.827 20 HB3 SER 5 2HB SER 5 -19.397 10.681 8.226 21 HG SER 5 HG SER 5 -19.941 12.073 6.513 22 H SER 6 H SER 6 -22.574 9.827 6.833 23 HA SER 6 HA SER 6 -22.538 6.982 7.289 24 HB2 SER 6 1HB SER 6 -23.475 8.629 4.929 25 HB3 SER 6 2HB SER 6 -23.664 6.880 5.059 26 HG SER 6 HG SER 6 -25.387 8.542 5.857 27 H GLY 7 H GLY 7 -20.677 5.920 7.039 28 HA2 GLY 7 1HA GLY 7 -19.468 5.515 4.572 29 HA3 GLY 7 2HA GLY 7 -18.557 6.792 5.365 30 H THR 8 H THR 8 -19.826 3.523 5.954 31 HA THR 8 HA THR 8 -17.268 2.820 7.185 32 HB THR 8 HB THR 8 -18.428 1.627 9.036 33 HG1 THR 8 1HG THR 8 -20.712 3.187 8.421 34 HG21 THR 8 1HG2 THR 8 -17.562 4.114 9.044 35 HG22 THR 8 2HG2 THR 8 -18.451 3.464 10.422 36 HG23 THR 8 3HG2 THR 8 -19.276 4.480 9.241 37 H ALA 9 H ALA 9 -16.910 0.513 7.332 38 HA ALA 9 HA ALA 9 -18.752 -1.265 5.990 39 HB1 ALA 9 1HB ALA 9 -17.132 -1.967 4.268 40 HB2 ALA 9 2HB ALA 9 -17.654 -0.293 4.070 41 HB3 ALA 9 3HB ALA 9 -16.070 -0.647 4.759 42 H ARG 10 H ARG 10 -17.787 -3.522 5.846 43 HA ARG 10 HA ARG 10 -16.181 -4.001 8.265 44 HB2 ARG 10 1HB ARG 10 -18.269 -5.668 6.872 45 HB3 ARG 10 2HB ARG 10 -17.175 -6.349 8.069 46 HG2 ARG 10 1HG ARG 10 -18.075 -4.279 9.480 47 HG3 ARG 10 2HG ARG 10 -19.463 -4.509 8.414 48 HD2 ARG 10 1HD ARG 10 -19.780 -6.733 9.151 49 HD3 ARG 10 2HD ARG 10 -18.209 -6.769 9.949 50 HE ARG 10 HE ARG 10 -19.121 -5.658 11.754 51 HH11 ARG 10 2HH1 ARG 10 -21.385 -5.716 9.111 52 HH12 ARG 10 1HH1 ARG 10 -22.717 -5.158 10.068 53 HH21 ARG 10 2HH2 ARG 10 -20.866 -4.923 13.025 54 HH22 ARG 10 1HH2 ARG 10 -22.421 -4.707 12.295 55 H LEU 11 H LEU 11 -14.586 -5.667 8.227 56 HA LEU 11 HA LEU 11 -13.143 -5.759 5.735 57 HB2 LEU 11 1HB LEU 11 -12.002 -5.454 7.890 58 HB3 LEU 11 2HB LEU 11 -12.537 -7.057 8.389 59 HG LEU 11 HG LEU 11 -11.133 -8.099 6.738 60 HD11 LEU 11 1HD1 LEU 11 -11.406 -6.396 4.980 61 HD12 LEU 11 2HD1 LEU 11 -9.720 -6.845 5.233 62 HD13 LEU 11 3HD1 LEU 11 -10.333 -5.322 5.878 63 HD21 LEU 11 1HD2 LEU 11 -9.935 -7.759 8.706 64 HD22 LEU 11 2HD2 LEU 11 -9.845 -6.014 8.465 65 HD23 LEU 11 3HD2 LEU 11 -8.878 -7.095 7.460 66 H VAL 12 H VAL 12 -13.176 -7.338 4.275 67 HA VAL 12 HA VAL 12 -14.566 -9.838 4.966 68 HB VAL 12 HB VAL 12 -14.047 -8.663 2.230 69 HG11 VAL 12 1HG1 VAL 12 -16.010 -10.448 1.853 70 HG12 VAL 12 2HG1 VAL 12 -14.299 -10.845 1.683 71 HG13 VAL 12 3HG1 VAL 12 -15.152 -11.234 3.177 72 HG21 VAL 12 1HG2 VAL 12 -16.419 -8.144 2.186 73 HG22 VAL 12 2HG2 VAL 12 -16.613 -8.797 3.813 74 HG23 VAL 12 3HG2 VAL 12 -15.646 -7.345 3.555 75 H ALA 13 H ALA 13 -11.580 -8.495 3.796 76 HA ALA 13 HA ALA 13 -10.237 -11.010 4.208 77 HB1 ALA 13 1HB ALA 13 -11.180 -11.089 1.847 78 HB2 ALA 13 2HB ALA 13 -10.008 -9.830 1.456 79 HB3 ALA 13 3HB ALA 13 -9.454 -11.403 2.029 80 H GLY 14 H GLY 14 -8.720 -10.217 5.544 81 HA2 GLY 14 1HA GLY 14 -7.625 -7.643 5.472 82 HA3 GLY 14 2HA GLY 14 -6.900 -9.027 6.277 83 H LEU 15 H LEU 15 -5.308 -7.111 5.137 84 HA LEU 15 HA LEU 15 -4.550 -7.473 2.489 85 HB2 LEU 15 1HB LEU 15 -2.991 -6.648 4.921 86 HB3 LEU 15 2HB LEU 15 -2.270 -6.691 3.313 87 HG LEU 15 HG LEU 15 -2.941 -4.430 3.944 88 HD11 LEU 15 1HD1 LEU 15 -3.009 -5.184 1.577 89 HD12 LEU 15 2HD1 LEU 15 -4.122 -3.865 1.938 90 HD13 LEU 15 3HD1 LEU 15 -4.731 -5.512 1.775 91 HD21 LEU 15 1HD2 LEU 15 -4.852 -5.199 5.398 92 HD22 LEU 15 2HD2 LEU 15 -5.787 -5.411 3.917 93 HD23 LEU 15 3HD2 LEU 15 -5.190 -3.812 4.362 94 H GLU 16 H GLU 16 -2.070 -8.232 2.116 95 HA GLU 16 HA GLU 16 -1.681 -10.863 3.339 96 HB2 GLU 16 1HB GLU 16 -1.673 -10.422 0.348 97 HB3 GLU 16 2HB GLU 16 -1.363 -11.939 1.181 98 HG2 GLU 16 1HG GLU 16 -3.638 -12.004 1.987 99 HG3 GLU 16 2HG GLU 16 -3.966 -10.431 1.264 100 H ASP 17 H ASP 17 0.380 -11.214 3.852 101 HA ASP 17 HA ASP 17 2.366 -9.274 3.525 102 HB2 ASP 17 1HB ASP 17 3.917 -10.947 4.407 103 HB3 ASP 17 2HB ASP 17 2.405 -10.968 5.310 104 H VAL 18 H VAL 18 4.324 -9.315 2.309 105 HA VAL 18 HA VAL 18 4.453 -11.119 0.024 106 HB VAL 18 HB VAL 18 4.296 -8.118 -0.273 107 HG11 VAL 18 1HG1 VAL 18 6.041 -8.870 -1.716 108 HG12 VAL 18 2HG1 VAL 18 5.075 -10.241 -2.265 109 HG13 VAL 18 3HG1 VAL 18 4.610 -8.598 -2.710 110 HG21 VAL 18 1HG2 VAL 18 2.537 -9.092 -2.038 111 HG22 VAL 18 2HG2 VAL 18 2.466 -10.376 -0.831 112 HG23 VAL 18 3HG2 VAL 18 2.108 -8.712 -0.370 113 H GLN 19 H GLN 19 6.511 -11.158 -1.009 114 HA GLN 19 HA GLN 19 8.664 -9.613 0.189 115 HB2 GLN 19 1HB GLN 19 9.886 -11.384 1.051 116 HB3 GLN 19 2HB GLN 19 8.240 -11.837 1.472 117 HG2 GLN 19 1HG GLN 19 8.180 -13.262 -0.566 118 HG3 GLN 19 2HG GLN 19 9.888 -12.898 -0.808 119 HE21 GLN 19 1HE2 GLN 19 11.390 -13.598 0.803 120 HE22 GLN 19 2HE2 GLN 19 11.032 -14.971 1.788 121 H VAL 20 H VAL 20 9.942 -8.923 -1.385 122 HA VAL 20 HA VAL 20 10.501 -10.665 -3.668 123 HB VAL 20 HB VAL 20 10.128 -8.876 -5.283 124 HG11 VAL 20 1HG1 VAL 20 8.243 -10.452 -4.216 125 HG12 VAL 20 2HG1 VAL 20 7.541 -8.874 -3.854 126 HG13 VAL 20 3HG1 VAL 20 7.920 -9.311 -5.520 127 HG21 VAL 20 1HG2 VAL 20 10.544 -6.929 -3.960 128 HG22 VAL 20 2HG2 VAL 20 8.887 -6.831 -4.555 129 HG23 VAL 20 3HG2 VAL 20 9.198 -7.305 -2.885 130 H TYR 21 H TYR 21 12.349 -9.935 -4.948 131 HA TYR 21 HA TYR 21 14.459 -8.997 -3.252 132 HB2 TYR 21 1HB TYR 21 14.266 -9.978 -6.071 133 HB3 TYR 21 2HB TYR 21 15.713 -9.111 -5.568 134 HD1 TYR 21 1HD TYR 21 13.631 -11.494 -3.608 135 HD2 TYR 21 2HD TYR 21 17.365 -10.761 -5.512 136 HE1 TYR 21 1HE TYR 21 14.527 -13.568 -2.635 137 HE2 TYR 21 2HE TYR 21 18.271 -12.833 -4.545 138 HH TYR 21 HH TYR 21 16.531 -14.656 -2.146 139 H ASP 22 H ASP 22 15.991 -7.280 -4.018 140 HA ASP 22 HA ASP 22 14.814 -4.795 -4.057 141 HB2 ASP 22 1HB ASP 22 16.973 -3.897 -4.685 142 HB3 ASP 22 2HB ASP 22 17.212 -5.240 -3.571 143 H GLY 23 H GLY 23 14.313 -3.271 -5.627 144 HA2 GLY 23 1HA GLY 23 13.864 -2.444 -7.747 145 HA3 GLY 23 2HA GLY 23 14.658 -3.855 -8.430 146 H GLU 24 H GLU 24 13.107 -5.850 -7.162 147 HA GLU 24 HA GLU 24 11.077 -6.266 -8.956 148 HB2 GLU 24 1HB GLU 24 11.124 -7.202 -6.081 149 HB3 GLU 24 2HB GLU 24 10.167 -7.905 -7.377 150 HG2 GLU 24 1HG GLU 24 13.170 -7.864 -7.190 151 HG3 GLU 24 2HG GLU 24 12.118 -9.256 -6.943 152 H ASP 25 H ASP 25 8.671 -6.606 -8.136 153 HA ASP 25 HA ASP 25 7.807 -4.075 -6.897 154 HB2 ASP 25 1HB ASP 25 5.691 -4.512 -8.384 155 HB3 ASP 25 2HB ASP 25 7.122 -3.762 -9.087 156 H ALA 26 H ALA 26 6.235 -4.167 -5.364 157 HA ALA 26 HA ALA 26 5.476 -6.846 -4.452 158 HB1 ALA 26 1HB ALA 26 5.989 -4.278 -3.141 159 HB2 ALA 26 2HB ALA 26 4.590 -5.151 -2.513 160 HB3 ALA 26 3HB ALA 26 6.175 -5.924 -2.533 161 H VAL 27 H VAL 27 3.286 -7.233 -3.710 162 HA VAL 27 HA VAL 27 1.262 -5.502 -4.956 163 HB VAL 27 HB VAL 27 1.284 -8.520 -5.114 164 HG11 VAL 27 1HG1 VAL 27 -0.609 -7.111 -6.799 165 HG12 VAL 27 2HG1 VAL 27 -0.868 -8.462 -5.694 166 HG13 VAL 27 3HG1 VAL 27 -0.890 -6.806 -5.085 167 HG21 VAL 27 1HG2 VAL 27 1.721 -8.307 -7.429 168 HG22 VAL 27 2HG2 VAL 27 1.472 -6.562 -7.393 169 HG23 VAL 27 3HG2 VAL 27 2.890 -7.266 -6.616 170 H PHE 28 H PHE 28 -0.499 -5.123 -3.738 171 HA PHE 28 HA PHE 28 -1.115 -6.877 -1.490 172 HB2 PHE 28 1HB PHE 28 -0.505 -3.930 -1.215 173 HB3 PHE 28 2HB PHE 28 -1.320 -4.876 0.026 174 HD1 PHE 28 1HD PHE 28 -0.067 -6.995 0.849 175 HD2 PHE 28 2HD PHE 28 1.794 -3.757 -1.193 176 HE1 PHE 28 1HE PHE 28 2.114 -7.676 1.764 177 HE2 PHE 28 2HE PHE 28 3.977 -4.433 -0.282 178 HZ PHE 28 HZ PHE 28 4.140 -6.395 1.198 179 H SER 29 H SER 29 -3.255 -7.022 -1.064 180 HA SER 29 HA SER 29 -5.119 -4.988 -1.885 181 HB2 SER 29 1HB SER 29 -6.430 -6.699 -3.297 182 HB3 SER 29 2HB SER 29 -5.003 -5.963 -4.028 183 HG SER 29 HG SER 29 -5.498 -8.563 -3.479 184 H LEU 30 H LEU 30 -7.282 -5.402 -1.149 185 HA LEU 30 HA LEU 30 -7.601 -7.678 0.665 186 HB2 LEU 30 1HB LEU 30 -8.611 -6.122 2.356 187 HB3 LEU 30 2HB LEU 30 -6.864 -6.006 2.158 188 HG LEU 30 HG LEU 30 -7.597 -4.049 0.495 189 HD11 LEU 30 1HD1 LEU 30 -9.532 -2.929 1.085 190 HD12 LEU 30 2HD1 LEU 30 -9.654 -3.742 2.644 191 HD13 LEU 30 3HD1 LEU 30 -10.034 -4.618 1.161 192 HD21 LEU 30 1HD2 LEU 30 -7.485 -3.690 3.486 193 HD22 LEU 30 2HD2 LEU 30 -7.071 -2.503 2.249 194 HD23 LEU 30 3HD2 LEU 30 -6.072 -3.942 2.460 195 H ASP 31 H ASP 31 -9.939 -7.676 1.551 196 HA ASP 31 HA ASP 31 -11.772 -6.844 -0.601 197 HB2 ASP 31 1HB ASP 31 -11.948 -9.371 1.055 198 HB3 ASP 31 2HB ASP 31 -13.069 -8.881 -0.213 199 H LEU 32 H LEU 32 -13.827 -6.145 -0.003 200 HA LEU 32 HA LEU 32 -14.314 -5.814 2.876 201 HB2 LEU 32 1HB LEU 32 -14.827 -3.674 0.820 202 HB3 LEU 32 2HB LEU 32 -15.028 -3.547 2.566 203 HG LEU 32 HG LEU 32 -12.435 -3.736 1.039 204 HD11 LEU 32 1HD1 LEU 32 -12.421 -1.522 1.115 205 HD12 LEU 32 2HD1 LEU 32 -12.660 -1.545 2.861 206 HD13 LEU 32 3HD1 LEU 32 -14.054 -1.557 1.781 207 HD21 LEU 32 1HD2 LEU 32 -11.598 -4.699 2.867 208 HD22 LEU 32 2HD2 LEU 32 -13.072 -4.413 3.793 209 HD23 LEU 32 3HD2 LEU 32 -11.847 -3.149 3.670 210 H SER 33 H SER 33 -16.573 -5.379 3.411 211 HA SER 33 HA SER 33 -18.325 -7.071 1.906 212 HB2 SER 33 1HB SER 33 -18.396 -6.903 4.389 213 HB3 SER 33 2HB SER 33 -18.988 -5.249 4.232 214 HG SER 33 HG SER 33 -20.695 -6.745 4.509 215 H THR 34 H THR 34 -17.792 -3.637 2.184 216 HA THR 34 HA THR 34 -19.621 -3.193 -0.044 217 HB THR 34 HB THR 34 -20.939 -2.788 2.045 218 HG1 THR 34 1HG THR 34 -20.767 -0.248 1.000 219 HG21 THR 34 1HG2 THR 34 -18.720 -1.705 3.084 220 HG22 THR 34 2HG2 THR 34 -20.339 -1.284 3.643 221 HG23 THR 34 3HG2 THR 34 -19.501 -0.238 2.497 222 H ILE 35 H ILE 35 -19.483 -0.777 -0.709 223 HA ILE 35 HA ILE 35 -16.742 -0.221 -1.256 224 HB ILE 35 HB ILE 35 -19.074 1.636 -1.712 225 HG12 ILE 35 1HG1 ILE 35 -18.026 -0.579 -3.487 226 HG13 ILE 35 2HG1 ILE 35 -19.584 -0.562 -2.667 227 HG21 ILE 35 1HG2 ILE 35 -16.702 1.416 -3.496 228 HG22 ILE 35 2HG2 ILE 35 -17.733 2.804 -3.156 229 HG23 ILE 35 3HG2 ILE 35 -16.539 2.281 -1.968 230 HD11 ILE 35 1HD1 ILE 35 -19.705 -0.006 -5.072 231 HD12 ILE 35 2HD1 ILE 35 -20.337 1.263 -4.021 232 HD13 ILE 35 3HD1 ILE 35 -18.741 1.435 -4.751 233 H ILE 36 H ILE 36 -15.344 0.996 -0.164 234 HA ILE 36 HA ILE 36 -16.314 3.108 1.602 235 HB ILE 36 HB ILE 36 -16.047 0.984 2.950 236 HG12 ILE 36 1HG1 ILE 36 -14.095 3.058 3.894 237 HG13 ILE 36 2HG1 ILE 36 -15.800 3.463 3.733 238 HG21 ILE 36 1HG2 ILE 36 -14.018 -0.030 3.264 239 HG22 ILE 36 2HG2 ILE 36 -13.856 0.487 1.587 240 HG23 ILE 36 3HG2 ILE 36 -13.105 1.427 2.875 241 HD11 ILE 36 1HD1 ILE 36 -14.911 1.081 5.309 242 HD12 ILE 36 2HD1 ILE 36 -14.951 2.697 6.013 243 HD13 ILE 36 3HD1 ILE 36 -16.433 1.967 5.397 244 H GLN 37 H GLN 37 -14.762 4.705 2.087 245 HA GLN 37 HA GLN 37 -12.440 4.672 0.281 246 HB2 GLN 37 1HB GLN 37 -14.036 6.461 -0.182 247 HB3 GLN 37 2HB GLN 37 -13.929 7.012 1.484 248 HG2 GLN 37 1HG GLN 37 -11.419 7.309 0.995 249 HG3 GLN 37 2HG GLN 37 -11.898 7.216 -0.699 250 HE21 GLN 37 1HE2 GLN 37 -11.252 9.342 -1.064 251 HE22 GLN 37 2HE2 GLN 37 -12.173 10.688 -0.496 252 H GLY 38 H GLY 38 -10.694 4.004 1.372 253 HA2 GLY 38 1HA GLY 38 -10.241 5.139 4.062 254 HA3 GLY 38 2HA GLY 38 -9.663 3.560 3.553 255 H THR 39 H THR 39 -7.605 4.464 4.386 256 HA THR 39 HA THR 39 -6.195 5.858 2.216 257 HB THR 39 HB THR 39 -6.046 6.511 5.158 258 HG1 THR 39 1HG THR 39 -7.611 7.621 3.850 259 HG21 THR 39 1HG2 THR 39 -3.802 6.612 4.705 260 HG22 THR 39 2HG2 THR 39 -4.285 8.218 4.159 261 HG23 THR 39 3HG2 THR 39 -4.051 6.921 2.987 262 H TRP 40 H TRP 40 -4.316 4.946 1.644 263 HA TRP 40 HA TRP 40 -3.499 2.514 2.964 264 HB2 TRP 40 1HB TRP 40 -2.568 3.965 0.494 265 HB3 TRP 40 2HB TRP 40 -1.701 2.569 1.127 266 HD1 TRP 40 HD TRP 40 -4.751 3.522 -0.873 267 HE1 TRP 40 1HE TRP 40 -5.955 1.390 -1.668 268 HE3 TRP 40 3HE TRP 40 -2.197 0.065 1.897 269 HZ2 TRP 40 2HZ TRP 40 -5.838 -1.388 -1.185 270 HZ3 TRP 40 3HZ TRP 40 -2.805 -2.308 1.672 271 HH2 TRP 40 HH TRP 40 -4.588 -3.018 0.163 272 H PHE 41 H PHE 41 -1.704 2.178 4.181 273 HA PHE 41 HA PHE 41 -0.014 4.527 4.740 274 HB2 PHE 41 1HB PHE 41 -1.203 2.484 6.584 275 HB3 PHE 41 2HB PHE 41 0.303 3.284 7.021 276 HD1 PHE 41 2HD PHE 41 -3.125 4.119 5.811 277 HD2 PHE 41 1HD PHE 41 0.188 5.223 8.244 278 HE1 PHE 41 2HE PHE 41 -4.401 6.037 6.673 279 HE2 PHE 41 1HE PHE 41 -1.083 7.142 9.111 280 HZ PHE 41 HZ PHE 41 -3.381 7.553 8.324 281 H LEU 42 H LEU 42 2.195 4.120 5.253 282 HA LEU 42 HA LEU 42 3.217 1.443 4.699 283 HB2 LEU 42 1HB LEU 42 3.096 3.064 2.621 284 HB3 LEU 42 2HB LEU 42 4.569 3.717 3.335 285 HG LEU 42 HG LEU 42 4.420 0.779 2.901 286 HD11 LEU 42 1HD1 LEU 42 3.681 1.252 0.781 287 HD12 LEU 42 2HD1 LEU 42 5.426 1.373 0.560 288 HD13 LEU 42 3HD1 LEU 42 4.458 2.836 0.743 289 HD21 LEU 42 1HD2 LEU 42 6.836 1.467 2.115 290 HD22 LEU 42 2HD2 LEU 42 6.435 1.339 3.828 291 HD23 LEU 42 3HD2 LEU 42 6.481 2.921 3.048 292 H ASN 43 H ASN 43 4.744 0.925 6.118 293 HA ASN 43 HA ASN 43 6.278 1.082 7.790 294 HB2 ASN 43 1HB ASN 43 7.018 3.353 5.981 295 HB3 ASN 43 2HB ASN 43 7.860 3.160 7.516 296 HD21 ASN 43 1HD2 ASN 43 8.002 2.454 4.340 297 HD22 ASN 43 2HD2 ASN 43 8.996 1.042 4.389 298 H GLY 44 H GLY 44 3.662 2.233 8.236 299 HA2 GLY 44 1HA GLY 44 2.754 3.167 10.177 300 HA3 GLY 44 2HA GLY 44 4.334 3.828 10.570 301 H GLU 45 H GLU 45 4.394 4.873 7.684 302 HA GLU 45 HA GLU 45 3.213 7.435 8.333 303 HB2 GLU 45 1HB GLU 45 4.589 8.331 6.743 304 HB3 GLU 45 2HB GLU 45 5.490 6.862 7.092 305 HG2 GLU 45 1HG GLU 45 3.947 5.918 5.149 306 HG3 GLU 45 2HG GLU 45 3.946 7.618 4.684 307 H GLU 46 H GLU 46 2.230 8.578 6.245 308 HA GLU 46 HA GLU 46 0.059 6.815 5.322 309 HB2 GLU 46 1HB GLU 46 -0.986 8.472 6.578 310 HB3 GLU 46 2HB GLU 46 0.137 9.719 6.054 311 HG2 GLU 46 1HG GLU 46 -0.873 9.685 3.826 312 HG3 GLU 46 2HG GLU 46 -2.011 8.453 4.368 313 H LEU 47 H LEU 47 -0.732 7.089 3.173 314 HA LEU 47 HA LEU 47 1.297 8.176 1.335 315 HB2 LEU 47 1HB LEU 47 -0.642 5.897 1.012 316 HB3 LEU 47 2HB LEU 47 0.280 6.579 -0.325 317 HG LEU 47 HG LEU 47 1.587 5.404 2.118 318 HD11 LEU 47 1HD1 LEU 47 2.002 3.439 0.535 319 HD12 LEU 47 2HD1 LEU 47 0.645 4.069 -0.398 320 HD13 LEU 47 3HD1 LEU 47 0.407 3.571 1.277 321 HD21 LEU 47 1HD2 LEU 47 2.545 6.886 -0.061 322 HD22 LEU 47 2HD2 LEU 47 3.031 5.216 -0.356 323 HD23 LEU 47 3HD2 LEU 47 3.487 6.016 1.149 324 H LYS 48 H LYS 48 0.729 9.948 0.281 325 HA LYS 48 HA LYS 48 -2.057 10.760 0.181 326 HB2 LYS 48 1HB LYS 48 0.448 12.167 -0.765 327 HB3 LYS 48 2HB LYS 48 -1.163 12.872 -0.742 328 HG2 LYS 48 1HG LYS 48 -1.215 12.990 1.578 329 HG3 LYS 48 2HG LYS 48 0.080 11.805 1.763 330 HD2 LYS 48 1HD LYS 48 0.571 14.436 0.409 331 HD3 LYS 48 2HD LYS 48 0.615 14.297 2.168 332 HE2 LYS 48 1HE LYS 48 2.220 12.512 0.355 333 HE3 LYS 48 2HE LYS 48 2.829 14.057 0.946 334 HZ1 LYS 48 1HZ LYS 48 3.115 11.709 2.221 335 HZ2 LYS 48 2HZ LYS 48 1.749 12.337 2.997 336 HZ3 LYS 48 3HZ LYS 48 3.191 13.222 2.974 337 H SER 49 H SER 49 -3.199 9.735 -1.357 338 HA SER 49 HA SER 49 -2.131 8.881 -3.842 339 HB2 SER 49 1HB SER 49 -4.122 7.858 -2.734 340 HB3 SER 49 2HB SER 49 -5.041 9.312 -3.124 341 HG SER 49 HG SER 49 -3.694 8.090 -5.223 342 H ASN 50 H ASN 50 -4.187 11.625 -2.919 343 HA ASN 50 HA ASN 50 -4.782 12.740 -5.326 344 HB2 ASN 50 1HB ASN 50 -3.805 14.360 -2.968 345 HB3 ASN 50 2HB ASN 50 -4.924 14.876 -4.226 346 HD21 ASN 50 1HD2 ASN 50 -6.126 15.405 -2.184 347 HD22 ASN 50 2HD2 ASN 50 -7.179 14.186 -1.560 348 H GLU 51 H GLU 51 -1.913 13.744 -3.452 349 HA GLU 51 HA GLU 51 -0.378 13.885 -5.933 350 HB2 GLU 51 1HB GLU 51 -0.786 16.202 -4.041 351 HB3 GLU 51 2HB GLU 51 0.499 16.145 -5.239 352 HG2 GLU 51 1HG GLU 51 -2.299 15.716 -6.139 353 HG3 GLU 51 2HG GLU 51 -1.782 17.349 -5.727 354 HA PRO 52 HA PRO 52 2.648 12.056 -3.284 355 HB2 PRO 52 1HB PRO 52 4.776 12.293 -4.953 356 HB3 PRO 52 2HB PRO 52 3.498 11.095 -5.190 357 HG2 PRO 52 1HG PRO 52 3.875 13.751 -6.519 358 HG3 PRO 52 2HG PRO 52 3.403 12.199 -7.235 359 HD2 PRO 52 1HD PRO 52 1.608 14.142 -6.656 360 HD3 PRO 52 2HD PRO 52 1.208 12.415 -6.566 361 H GLU 53 H GLU 53 2.311 15.258 -3.862 362 HA GLU 53 HA GLU 53 4.861 16.292 -3.163 363 HB2 GLU 53 1HB GLU 53 3.809 18.412 -3.033 364 HB3 GLU 53 2HB GLU 53 2.990 17.542 -4.323 365 HG2 GLU 53 1HG GLU 53 1.056 17.271 -3.098 366 HG3 GLU 53 2HG GLU 53 1.882 17.479 -1.554 367 H GLY 54 H GLY 54 5.550 17.217 -1.193 368 HA2 GLY 54 1HA GLY 54 4.556 17.652 1.178 369 HA3 GLY 54 2HA GLY 54 4.364 15.905 1.150 370 H GLN 55 H GLN 55 6.154 14.582 1.371 371 HA GLN 55 HA GLN 55 8.603 15.969 2.229 372 HB2 GLN 55 1HB GLN 55 9.090 13.926 3.536 373 HB3 GLN 55 2HB GLN 55 7.583 14.694 4.017 374 HG2 GLN 55 1HG GLN 55 6.301 13.051 2.831 375 HG3 GLN 55 2HG GLN 55 7.765 12.337 2.158 376 HE21 GLN 55 1HE2 GLN 55 5.513 11.456 4.051 377 HE22 GLN 55 2HE2 GLN 55 6.361 10.686 5.344 378 H VAL 56 H VAL 56 7.403 13.168 0.424 379 HA VAL 56 HA VAL 56 10.048 12.560 -0.594 380 HB VAL 56 HB VAL 56 8.842 10.799 -1.916 381 HG11 VAL 56 1HG1 VAL 56 7.943 9.757 0.440 382 HG12 VAL 56 2HG1 VAL 56 9.620 9.728 -0.106 383 HG13 VAL 56 3HG1 VAL 56 9.072 10.991 0.996 384 HG21 VAL 56 1HG2 VAL 56 6.636 10.881 -2.150 385 HG22 VAL 56 2HG2 VAL 56 6.431 10.749 -0.404 386 HG23 VAL 56 3HG2 VAL 56 6.586 12.336 -1.155 387 H GLU 57 H GLU 57 9.918 11.945 -3.114 388 HA GLU 57 HA GLU 57 8.908 14.351 -4.485 389 HB2 GLU 57 1HB GLU 57 10.812 13.995 -6.090 390 HB3 GLU 57 2HB GLU 57 11.288 14.474 -4.467 391 HG2 GLU 57 1HG GLU 57 11.823 12.149 -3.939 392 HG3 GLU 57 2HG GLU 57 11.355 11.675 -5.571 393 HA PRO 58 HA PRO 58 6.567 11.729 -7.122 394 HB2 PRO 58 1HB PRO 58 6.443 13.286 -9.343 395 HB3 PRO 58 2HB PRO 58 5.532 13.640 -7.869 396 HG2 PRO 58 1HG PRO 58 8.111 14.818 -8.830 397 HG3 PRO 58 2HG PRO 58 6.712 15.630 -8.104 398 HD2 PRO 58 1HD PRO 58 8.948 15.038 -6.695 399 HD3 PRO 58 2HD PRO 58 7.332 15.051 -5.960 400 H GLY 59 H GLY 59 8.338 10.137 -7.243 401 HA2 GLY 59 1HA GLY 59 8.885 9.193 -9.723 402 HA3 GLY 59 2HA GLY 59 10.200 10.325 -9.442 403 H ALA 60 H ALA 60 10.203 9.752 -6.539 404 HA ALA 60 HA ALA 60 12.133 7.689 -6.545 405 HB1 ALA 60 1HB ALA 60 11.534 9.684 -4.837 406 HB2 ALA 60 2HB ALA 60 10.829 8.314 -3.978 407 HB3 ALA 60 3HB ALA 60 12.538 8.298 -4.413 408 H LEU 61 H LEU 61 8.994 7.731 -4.843 409 HA LEU 61 HA LEU 61 8.960 4.804 -4.971 410 HB2 LEU 61 1HB LEU 61 8.664 5.587 -2.766 411 HB3 LEU 61 2HB LEU 61 7.500 6.808 -3.275 412 HG LEU 61 HG LEU 61 6.051 4.744 -3.945 413 HD11 LEU 61 1HD1 LEU 61 6.457 2.735 -2.871 414 HD12 LEU 61 2HD1 LEU 61 7.558 3.463 -1.702 415 HD13 LEU 61 3HD1 LEU 61 8.072 3.234 -3.373 416 HD21 LEU 61 1HD2 LEU 61 5.983 6.485 -1.909 417 HD22 LEU 61 2HD2 LEU 61 6.217 4.988 -1.005 418 HD23 LEU 61 3HD2 LEU 61 4.833 5.160 -2.086 419 H ARG 62 H ARG 62 7.761 3.829 -6.452 420 HA ARG 62 HA ARG 62 5.562 5.331 -7.700 421 HB2 ARG 62 1HB ARG 62 7.477 3.278 -8.692 422 HB3 ARG 62 2HB ARG 62 5.863 3.294 -9.389 423 HG2 ARG 62 1HG ARG 62 6.151 5.373 -10.347 424 HG3 ARG 62 2HG ARG 62 7.438 5.823 -9.227 425 HD2 ARG 62 1HD ARG 62 9.041 4.651 -10.385 426 HD3 ARG 62 2HD ARG 62 7.871 3.522 -11.068 427 HE ARG 62 HE ARG 62 7.498 6.177 -12.043 428 HH11 ARG 62 2HH1 ARG 62 9.414 3.294 -12.413 429 HH12 ARG 62 1HH1 ARG 62 9.814 3.615 -14.068 430 HH21 ARG 62 2HH2 ARG 62 8.017 6.611 -14.221 431 HH22 ARG 62 1HH2 ARG 62 9.019 5.503 -15.095 432 H TYR 63 H TYR 63 3.624 4.832 -6.931 433 HA TYR 63 HA TYR 63 3.054 2.012 -6.292 434 HB2 TYR 63 1HB TYR 63 1.550 2.778 -4.511 435 HB3 TYR 63 2HB TYR 63 3.196 3.334 -4.233 436 HD1 TYR 63 2HD TYR 63 0.081 4.524 -5.929 437 HD2 TYR 63 1HD TYR 63 3.460 5.515 -3.541 438 HE1 TYR 63 2HE TYR 63 -0.738 6.836 -5.741 439 HE2 TYR 63 1HE TYR 63 2.650 7.829 -3.345 440 HH TYR 63 HH TYR 63 1.189 9.373 -4.504 441 H ARG 64 H ARG 64 0.864 1.326 -6.615 442 HA ARG 64 HA ARG 64 -0.706 3.054 -8.404 443 HB2 ARG 64 1HB ARG 64 0.473 1.408 -9.774 444 HB3 ARG 64 2HB ARG 64 -0.165 0.104 -8.782 445 HG2 ARG 64 1HG ARG 64 -2.275 0.272 -9.671 446 HG3 ARG 64 2HG ARG 64 -2.062 1.962 -10.133 447 HD2 ARG 64 1HD ARG 64 -2.096 0.506 -12.092 448 HD3 ARG 64 2HD ARG 64 -0.529 1.292 -11.907 449 HE ARG 64 HE ARG 64 -0.281 -1.127 -10.636 450 HH11 ARG 64 2HH1 ARG 64 -1.096 -0.056 -13.846 451 HH12 ARG 64 1HH1 ARG 64 -0.455 -1.466 -14.621 452 HH21 ARG 64 2HH2 ARG 64 0.567 -2.989 -11.644 453 HH22 ARG 64 1HH2 ARG 64 0.490 -3.135 -13.367 454 H ILE 65 H ILE 65 -2.503 3.511 -7.314 455 HA ILE 65 HA ILE 65 -3.681 1.492 -5.552 456 HB ILE 65 HB ILE 65 -4.362 4.418 -5.868 457 HG12 ILE 65 1HG1 ILE 65 -3.047 3.096 -3.502 458 HG13 ILE 65 2HG1 ILE 65 -2.105 3.748 -4.838 459 HG21 ILE 65 1HG2 ILE 65 -5.941 4.207 -4.200 460 HG22 ILE 65 2HG2 ILE 65 -6.153 2.699 -5.088 461 HG23 ILE 65 3HG2 ILE 65 -5.240 2.713 -3.580 462 HD11 ILE 65 1HD1 ILE 65 -2.936 5.111 -2.596 463 HD12 ILE 65 2HD1 ILE 65 -2.319 5.824 -4.087 464 HD13 ILE 65 3HD1 ILE 65 -4.057 5.644 -3.848 465 H GLU 66 H GLU 66 -5.416 0.362 -6.121 466 HA GLU 66 HA GLU 66 -7.143 1.408 -8.262 467 HB2 GLU 66 1HB GLU 66 -6.424 -1.504 -7.920 468 HB3 GLU 66 2HB GLU 66 -7.349 -0.783 -9.230 469 HG2 GLU 66 1HG GLU 66 -5.151 0.607 -9.585 470 HG3 GLU 66 2HG GLU 66 -4.419 -0.751 -8.733 471 H GLN 67 H GLN 67 -9.080 1.796 -7.434 472 HA GLN 67 HA GLN 67 -10.126 -0.042 -5.382 473 HB2 GLN 67 1HB GLN 67 -9.686 2.288 -4.597 474 HB3 GLN 67 2HB GLN 67 -10.862 2.863 -5.772 475 HG2 GLN 67 1HG GLN 67 -12.459 1.189 -4.579 476 HG3 GLN 67 2HG GLN 67 -11.293 1.315 -3.263 477 HE21 GLN 67 1HE2 GLN 67 -14.144 2.413 -4.173 478 HE22 GLN 67 2HE2 GLN 67 -14.112 4.014 -3.525 479 H LYS 68 H LYS 68 -11.560 -1.373 -6.264 480 HA LYS 68 HA LYS 68 -13.627 -0.233 -8.013 481 HB2 LYS 68 1HB LYS 68 -11.793 -2.506 -8.569 482 HB3 LYS 68 2HB LYS 68 -13.466 -2.681 -9.081 483 HG2 LYS 68 1HG LYS 68 -11.811 -0.285 -9.810 484 HG3 LYS 68 2HG LYS 68 -11.830 -1.759 -10.781 485 HD2 LYS 68 1HD LYS 68 -14.103 -1.514 -11.308 486 HD3 LYS 68 2HD LYS 68 -14.366 -0.346 -10.010 487 HE2 LYS 68 1HE LYS 68 -13.013 1.295 -11.188 488 HE3 LYS 68 2HE LYS 68 -12.673 0.125 -12.463 489 HZ1 LYS 68 1HZ LYS 68 -15.427 0.235 -12.213 490 HZ2 LYS 68 2HZ LYS 68 -14.487 0.842 -13.482 491 HZ3 LYS 68 3HZ LYS 68 -14.899 1.843 -12.182 492 H GLY 69 H GLY 69 -15.070 -0.228 -6.264 493 HA2 GLY 69 1HA GLY 69 -16.650 -1.099 -4.844 494 HA3 GLY 69 2HA GLY 69 -16.705 -2.448 -5.969 495 H LEU 70 H LEU 70 -15.915 -1.462 -2.842 496 HA LEU 70 HA LEU 70 -14.625 -2.406 -1.161 497 HB2 LEU 70 1HB LEU 70 -15.466 -4.920 -0.981 498 HB3 LEU 70 2HB LEU 70 -16.480 -3.544 -0.553 499 HG LEU 70 HG LEU 70 -16.623 -4.575 -3.340 500 HD11 LEU 70 1HD1 LEU 70 -16.665 -6.534 -1.688 501 HD12 LEU 70 2HD1 LEU 70 -17.998 -6.388 -2.833 502 HD13 LEU 70 3HD1 LEU 70 -18.214 -5.878 -1.159 503 HD21 LEU 70 1HD2 LEU 70 -17.998 -2.713 -1.756 504 HD22 LEU 70 2HD2 LEU 70 -19.105 -4.065 -1.995 505 HD23 LEU 70 3HD2 LEU 70 -18.399 -3.245 -3.389 506 H GLN 71 H GLN 71 -13.165 -2.400 -3.614 507 HA GLN 71 HA GLN 71 -11.418 -4.687 -3.094 508 HB2 GLN 71 1HB GLN 71 -13.031 -5.020 -5.115 509 HB3 GLN 71 2HB GLN 71 -11.961 -3.890 -5.934 510 HG2 GLN 71 1HG GLN 71 -10.127 -5.346 -5.778 511 HG3 GLN 71 2HG GLN 71 -10.934 -6.363 -4.585 512 HE21 GLN 71 1HE2 GLN 71 -11.206 -8.275 -5.497 513 HE22 GLN 71 2HE2 GLN 71 -11.887 -8.562 -7.058 514 H HIS 72 H HIS 72 -9.674 -3.638 -2.357 515 HA HIS 72 HA HIS 72 -8.670 -1.352 -3.921 516 HB2 HIS 72 1HB HIS 72 -8.079 -2.021 -1.031 517 HB3 HIS 72 2HB HIS 72 -7.555 -0.582 -1.901 518 HD2 HIS 72 2HD HIS 72 -11.138 -2.116 -1.127 519 HE1 HIS 72 1HE HIS 72 -11.221 2.096 -0.622 520 HE2 HIS 72 2HE HIS 72 -12.524 -0.050 -0.418 521 H ARG 73 H ARG 73 -6.295 -1.125 -3.989 522 HA ARG 73 HA ARG 73 -4.651 -3.408 -3.450 523 HB2 ARG 73 1HB ARG 73 -5.875 -4.047 -5.561 524 HB3 ARG 73 2HB ARG 73 -5.071 -2.699 -6.354 525 HG2 ARG 73 1HG ARG 73 -2.935 -3.692 -6.067 526 HG3 ARG 73 2HG ARG 73 -3.588 -4.928 -4.989 527 HD2 ARG 73 1HD ARG 73 -3.102 -5.621 -7.391 528 HD3 ARG 73 2HD ARG 73 -4.689 -6.031 -6.742 529 HE ARG 73 HE ARG 73 -4.097 -4.075 -8.812 530 HH11 ARG 73 2HH1 ARG 73 -6.437 -5.482 -6.653 531 HH12 ARG 73 1HH1 ARG 73 -7.804 -4.902 -7.546 532 HH21 ARG 73 2HH2 ARG 73 -5.888 -3.306 -9.997 533 HH22 ARG 73 1HH2 ARG 73 -7.490 -3.666 -9.449 534 H LEU 74 H LEU 74 -2.546 -2.837 -3.290 535 HA LEU 74 HA LEU 74 -1.729 -0.239 -4.399 536 HB2 LEU 74 1HB LEU 74 -2.247 0.047 -2.031 537 HB3 LEU 74 2HB LEU 74 -1.137 -1.260 -1.624 538 HG LEU 74 HG LEU 74 0.693 0.186 -2.643 539 HD11 LEU 74 1HD1 LEU 74 -0.594 1.755 -3.887 540 HD12 LEU 74 2HD1 LEU 74 0.181 2.634 -2.570 541 HD13 LEU 74 3HD1 LEU 74 -1.527 2.211 -2.462 542 HD21 LEU 74 1HD2 LEU 74 0.176 -0.171 -0.181 543 HD22 LEU 74 2HD2 LEU 74 -0.627 1.398 -0.229 544 HD23 LEU 74 3HD2 LEU 74 1.094 1.276 -0.596 545 H ILE 75 H ILE 75 -0.500 -1.111 -6.024 546 HA ILE 75 HA ILE 75 1.490 -3.138 -5.403 547 HB ILE 75 HB ILE 75 0.997 -1.754 -8.040 548 HG12 ILE 75 1HG1 ILE 75 -0.063 -4.177 -8.421 549 HG13 ILE 75 2HG1 ILE 75 -0.363 -4.035 -6.693 550 HG21 ILE 75 1HG2 ILE 75 3.196 -2.878 -7.728 551 HG22 ILE 75 2HG2 ILE 75 2.333 -4.392 -7.463 552 HG23 ILE 75 3HG2 ILE 75 2.215 -3.571 -9.019 553 HD11 ILE 75 1HD1 ILE 75 -2.184 -3.276 -8.327 554 HD12 ILE 75 2HD1 ILE 75 -1.787 -2.224 -6.968 555 HD13 ILE 75 3HD1 ILE 75 -1.167 -1.858 -8.578 556 H LEU 76 H LEU 76 3.387 -2.552 -4.598 557 HA LEU 76 HA LEU 76 4.453 0.107 -5.224 558 HB2 LEU 76 1HB LEU 76 5.412 -1.850 -3.146 559 HB3 LEU 76 2HB LEU 76 5.882 -0.160 -3.311 560 HG LEU 76 HG LEU 76 3.017 -0.821 -2.807 561 HD11 LEU 76 1HD1 LEU 76 3.451 -0.762 -0.384 562 HD12 LEU 76 2HD1 LEU 76 5.183 -0.802 -0.711 563 HD13 LEU 76 3HD1 LEU 76 4.168 -2.171 -1.166 564 HD21 LEU 76 1HD2 LEU 76 4.658 1.401 -1.647 565 HD22 LEU 76 2HD2 LEU 76 2.918 1.331 -1.928 566 HD23 LEU 76 3HD2 LEU 76 4.026 1.498 -3.291 567 H HIS 77 H HIS 77 5.470 -0.096 -7.163 568 HA HIS 77 HA HIS 77 7.224 -2.340 -7.690 569 HB2 HIS 77 1HB HIS 77 7.059 0.084 -9.445 570 HB3 HIS 77 2HB HIS 77 7.310 -1.600 -9.895 571 HD1 HIS 77 1HD HIS 77 5.312 -2.809 -10.736 572 HD2 HIS 77 2HD HIS 77 4.286 0.586 -8.572 573 HE1 HIS 77 1HE HIS 77 2.816 -2.594 -10.965 574 HE2 HIS 77 2HE HIS 77 2.230 -0.486 -9.718 575 H ALA 78 H ALA 78 9.444 -2.268 -7.883 576 HA ALA 78 HA ALA 78 11.587 -1.504 -7.643 577 HB1 ALA 78 1HB ALA 78 11.967 0.549 -8.405 578 HB2 ALA 78 2HB ALA 78 10.218 0.769 -8.479 579 HB3 ALA 78 3HB ALA 78 11.111 1.280 -7.046 580 H VAL 79 H VAL 79 10.605 -2.719 -5.539 581 HA VAL 79 HA VAL 79 10.795 -1.023 -3.181 582 HB VAL 79 HB VAL 79 10.317 -3.137 -1.932 583 HG11 VAL 79 1HG1 VAL 79 8.613 -1.471 -3.146 584 HG12 VAL 79 2HG1 VAL 79 8.170 -2.973 -3.960 585 HG13 VAL 79 3HG1 VAL 79 8.084 -2.863 -2.202 586 HG21 VAL 79 1HG2 VAL 79 9.304 -4.677 -4.102 587 HG22 VAL 79 2HG2 VAL 79 11.000 -4.309 -4.417 588 HG23 VAL 79 3HG2 VAL 79 10.537 -5.114 -2.918 589 H LYS 80 H LYS 80 12.792 -0.501 -2.561 590 HA LYS 80 HA LYS 80 14.991 -2.372 -2.924 591 HB2 LYS 80 1HB LYS 80 14.890 0.485 -1.950 592 HB3 LYS 80 2HB LYS 80 16.369 -0.462 -2.033 593 HG2 LYS 80 1HG LYS 80 16.465 0.687 -4.009 594 HG3 LYS 80 2HG LYS 80 15.670 -0.802 -4.525 595 HD2 LYS 80 1HD LYS 80 13.473 0.397 -4.137 596 HD3 LYS 80 2HD LYS 80 14.417 1.880 -3.978 597 HE2 LYS 80 1HE LYS 80 15.432 1.203 -6.254 598 HE3 LYS 80 2HE LYS 80 14.042 0.126 -6.380 599 HZ1 LYS 80 1HZ LYS 80 13.389 2.094 -7.422 600 HZ2 LYS 80 2HZ LYS 80 14.062 3.079 -6.224 601 HZ3 LYS 80 3HZ LYS 80 12.665 2.183 -5.896 602 H HIS 81 H HIS 81 16.411 -2.962 -1.188 603 HA HIS 81 HA HIS 81 15.061 -3.857 1.118 604 HB2 HIS 81 1HB HIS 81 17.490 -4.262 1.936 605 HB3 HIS 81 2HB HIS 81 16.910 -5.154 0.532 606 HD1 HIS 81 1HD HIS 81 17.784 -4.305 -1.825 607 HD2 HIS 81 2HD HIS 81 19.667 -2.647 1.487 608 HE1 HIS 81 1HE HIS 81 19.895 -3.258 -2.705 609 HE2 HIS 81 2HE HIS 81 21.059 -2.336 -0.671 610 H GLN 82 H GLN 82 16.523 -0.863 0.354 611 HA GLN 82 HA GLN 82 17.317 0.010 2.905 612 HB2 GLN 82 1HB GLN 82 16.186 1.990 0.997 613 HB3 GLN 82 2HB GLN 82 17.674 2.053 1.933 614 HG2 GLN 82 1HG GLN 82 18.323 0.069 0.285 615 HG3 GLN 82 2HG GLN 82 17.156 0.903 -0.741 616 HE21 GLN 82 1HE2 GLN 82 18.222 2.082 -2.156 617 HE22 GLN 82 2HE2 GLN 82 19.571 3.106 -1.817 618 H ASP 83 H ASP 83 14.252 -0.682 1.713 619 HA ASP 83 HA ASP 83 13.010 0.848 3.902 620 HB2 ASP 83 1HB ASP 83 12.017 0.439 1.084 621 HB3 ASP 83 2HB ASP 83 10.942 0.905 2.400 622 H SER 84 H SER 84 13.995 -1.996 3.534 623 HA SER 84 HA SER 84 11.968 -3.840 3.288 624 HB2 SER 84 1HB SER 84 14.395 -4.363 3.605 625 HB3 SER 84 2HB SER 84 14.207 -3.997 5.320 626 HG SER 84 HG SER 84 14.003 -6.253 4.803 627 H GLY 85 H GLY 85 10.819 -5.081 4.957 628 HA2 GLY 85 1HA GLY 85 9.392 -5.235 6.749 629 HA3 GLY 85 2HA GLY 85 10.461 -4.121 7.588 630 H ALA 86 H ALA 86 8.818 -3.386 4.574 631 HA ALA 86 HA ALA 86 7.740 -0.973 5.621 632 HB1 ALA 86 1HB ALA 86 8.393 -1.473 3.210 633 HB2 ALA 86 2HB ALA 86 6.835 -2.291 3.079 634 HB3 ALA 86 3HB ALA 86 6.898 -0.572 3.468 635 H LEU 87 H LEU 87 5.910 -0.650 6.699 636 HA LEU 87 HA LEU 87 4.057 -2.854 7.061 637 HB2 LEU 87 1HB LEU 87 4.977 -1.099 8.812 638 HB3 LEU 87 2HB LEU 87 3.593 -0.165 8.247 639 HG LEU 87 HG LEU 87 2.878 -1.278 10.196 640 HD11 LEU 87 1HD1 LEU 87 1.071 -2.616 9.433 641 HD12 LEU 87 2HD1 LEU 87 1.925 -3.041 7.950 642 HD13 LEU 87 3HD1 LEU 87 1.362 -1.389 8.200 643 HD21 LEU 87 1HD2 LEU 87 3.424 -3.399 10.850 644 HD22 LEU 87 2HD2 LEU 87 4.849 -3.003 9.888 645 HD23 LEU 87 3HD2 LEU 87 3.565 -3.994 9.196 646 H VAL 88 H VAL 88 2.908 -3.052 5.171 647 HA VAL 88 HA VAL 88 1.539 -0.709 4.093 648 HB VAL 88 HB VAL 88 1.491 -3.535 3.034 649 HG11 VAL 88 1HG1 VAL 88 -0.333 -2.216 2.198 650 HG12 VAL 88 2HG1 VAL 88 0.752 -0.878 1.816 651 HG13 VAL 88 3HG1 VAL 88 0.865 -2.392 0.917 652 HG21 VAL 88 1HG2 VAL 88 3.715 -3.095 2.775 653 HG22 VAL 88 2HG2 VAL 88 3.100 -2.330 1.310 654 HG23 VAL 88 3HG2 VAL 88 3.479 -1.348 2.725 655 H GLY 89 H GLY 89 -0.314 -0.189 5.067 656 HA2 GLY 89 1HA GLY 89 -2.290 -2.330 5.481 657 HA3 GLY 89 2HA GLY 89 -1.931 -1.222 6.797 658 H PHE 90 H PHE 90 -4.489 -1.606 5.618 659 HA PHE 90 HA PHE 90 -4.901 1.000 4.306 660 HB2 PHE 90 1HB PHE 90 -5.518 -0.813 2.824 661 HB3 PHE 90 2HB PHE 90 -6.511 -1.549 4.077 662 HD1 PHE 90 2HD PHE 90 -6.182 1.560 2.064 663 HD2 PHE 90 1HD PHE 90 -8.770 -1.066 4.191 664 HE1 PHE 90 2HE PHE 90 -8.128 2.832 1.260 665 HE2 PHE 90 1HE PHE 90 -10.721 0.201 3.390 666 HZ PHE 90 HZ PHE 90 -10.401 2.154 1.923 667 H SER 91 H SER 91 -5.513 2.402 5.830 668 HA SER 91 HA SER 91 -7.217 1.537 8.027 669 HB2 SER 91 1HB SER 91 -6.768 3.714 9.002 670 HB3 SER 91 2HB SER 91 -5.249 3.009 8.448 671 HG SER 91 HG SER 91 -6.303 5.340 7.774 672 H CYS 92 H CYS 92 -9.344 1.841 8.098 673 HA CYS 92 HA CYS 92 -10.570 3.979 6.539 674 HB2 CYS 92 1HB CYS 92 -11.871 2.664 5.190 675 HB3 CYS 92 2HB CYS 92 -10.478 1.600 5.345 676 HG CYS 92 HG CYS 92 -13.326 1.344 7.228 677 HA PRO 93 HA PRO 93 -13.238 4.384 9.997 678 HB2 PRO 93 1HB PRO 93 -15.544 5.206 8.824 679 HB3 PRO 93 2HB PRO 93 -14.116 6.239 8.964 680 HG2 PRO 93 1HG PRO 93 -15.077 4.641 6.621 681 HG3 PRO 93 2HG PRO 93 -14.432 6.293 6.661 682 HD2 PRO 93 1HD PRO 93 -12.937 4.162 5.915 683 HD3 PRO 93 2HD PRO 93 -12.245 5.571 6.744 684 H GLY 94 H GLY 94 -13.177 1.982 10.294 685 HA2 GLY 94 1HA GLY 94 -15.358 0.784 11.118 686 HA3 GLY 94 2HA GLY 94 -15.597 0.603 9.386 687 H VAL 95 H VAL 95 -12.507 0.430 9.262 688 HA VAL 95 HA VAL 95 -12.135 -2.254 10.362 689 HB VAL 95 HB VAL 95 -11.786 -1.573 7.441 690 HG11 VAL 95 1HG1 VAL 95 -9.893 -2.890 8.187 691 HG12 VAL 95 2HG1 VAL 95 -10.975 -4.061 8.942 692 HG13 VAL 95 3HG1 VAL 95 -10.958 -3.878 7.188 693 HG21 VAL 95 1HG2 VAL 95 -13.305 -3.941 8.346 694 HG22 VAL 95 2HG2 VAL 95 -14.044 -2.368 8.648 695 HG23 VAL 95 3HG2 VAL 95 -13.613 -2.839 7.004 696 H GLN 96 H GLN 96 -9.991 -2.824 10.729 697 HA GLN 96 HA GLN 96 -7.905 -0.922 9.990 698 HB2 GLN 96 1HB GLN 96 -8.457 -0.017 12.090 699 HB3 GLN 96 2HB GLN 96 -8.702 -1.604 12.807 700 HG2 GLN 96 1HG GLN 96 -5.993 -0.946 11.797 701 HG3 GLN 96 2HG GLN 96 -6.540 -0.159 13.277 702 HE21 GLN 96 1HE2 GLN 96 -7.563 -1.721 14.881 703 HE22 GLN 96 2HE2 GLN 96 -6.727 -3.213 15.128 704 H ASP 97 H ASP 97 -6.577 -2.223 8.896 705 HA ASP 97 HA ASP 97 -5.348 -4.448 10.285 706 HB2 ASP 97 1HB ASP 97 -7.480 -5.179 8.891 707 HB3 ASP 97 2HB ASP 97 -6.347 -5.089 7.545 708 H SER 98 H SER 98 -3.451 -5.278 9.148 709 HA SER 98 HA SER 98 -2.454 -3.788 6.885 710 HB2 SER 98 1HB SER 98 -0.435 -2.964 8.041 711 HB3 SER 98 2HB SER 98 -1.902 -2.256 8.717 712 HG SER 98 HG SER 98 -1.580 -3.297 10.540 713 H ALA 99 H ALA 99 -0.315 -4.586 6.177 714 HA ALA 99 HA ALA 99 0.123 -7.374 7.033 715 HB1 ALA 99 1HB ALA 99 0.734 -7.927 4.752 716 HB2 ALA 99 2HB ALA 99 -0.885 -7.227 4.795 717 HB3 ALA 99 3HB ALA 99 0.482 -6.253 4.256 718 H ALA 100 H ALA 100 2.401 -8.083 6.010 719 HA ALA 100 HA ALA 100 4.346 -6.018 6.816 720 HB1 ALA 100 1HB ALA 100 3.930 -8.660 7.854 721 HB2 ALA 100 2HB ALA 100 5.548 -8.527 7.166 722 HB3 ALA 100 3HB ALA 100 5.026 -7.398 8.416 723 H LEU 101 H LEU 101 6.061 -5.656 5.506 724 HA LEU 101 HA LEU 101 6.166 -7.210 3.011 725 HB2 LEU 101 1HB LEU 101 5.687 -4.902 2.615 726 HB3 LEU 101 2HB LEU 101 7.020 -4.394 3.649 727 HG LEU 101 HG LEU 101 8.565 -5.480 1.959 728 HD11 LEU 101 1HD1 LEU 101 7.287 -6.882 0.658 729 HD12 LEU 101 2HD1 LEU 101 7.414 -5.461 -0.377 730 HD13 LEU 101 3HD1 LEU 101 5.944 -5.743 0.555 731 HD21 LEU 101 1HD2 LEU 101 6.871 -3.098 1.236 732 HD22 LEU 101 2HD2 LEU 101 8.328 -3.561 0.357 733 HD23 LEU 101 3HD2 LEU 101 8.431 -3.107 2.059 734 H THR 102 H THR 102 8.224 -7.727 2.103 735 HA THR 102 HA THR 102 10.536 -7.525 3.881 736 HB THR 102 HB THR 102 9.501 -10.149 2.790 737 HG1 THR 102 1HG THR 102 9.565 -10.631 5.117 738 HG21 THR 102 1HG2 THR 102 11.521 -11.078 3.075 739 HG22 THR 102 2HG2 THR 102 11.780 -10.242 4.606 740 HG23 THR 102 3HG2 THR 102 12.146 -9.430 3.084 741 H ILE 103 H ILE 103 12.215 -6.833 2.744 742 HA ILE 103 HA ILE 103 12.339 -7.494 -0.127 743 HB ILE 103 HB ILE 103 13.439 -5.022 1.216 744 HG12 ILE 103 1HG1 ILE 103 11.145 -5.157 -0.736 745 HG13 ILE 103 2HG1 ILE 103 10.896 -5.238 1.005 746 HG21 ILE 103 1HG2 ILE 103 14.803 -5.168 -0.586 747 HG22 ILE 103 2HG2 ILE 103 13.676 -6.171 -1.497 748 HG23 ILE 103 3HG2 ILE 103 13.419 -4.429 -1.391 749 HD11 ILE 103 1HD1 ILE 103 11.918 -2.960 -0.642 750 HD12 ILE 103 2HD1 ILE 103 10.557 -3.003 0.480 751 HD13 ILE 103 3HD1 ILE 103 12.209 -3.044 1.095 752 H GLN 104 H GLN 104 14.160 -8.402 -0.897 753 HA GLN 104 HA GLN 104 16.421 -8.694 0.970 754 HB2 GLN 104 1HB GLN 104 15.345 -10.623 -1.086 755 HB3 GLN 104 2HB GLN 104 16.903 -10.826 -0.298 756 HG2 GLN 104 1HG GLN 104 15.771 -10.899 1.881 757 HG3 GLN 104 2HG GLN 104 14.218 -10.757 1.059 758 HE21 GLN 104 1HE2 GLN 104 13.965 -12.802 2.356 759 HE22 GLN 104 2HE2 GLN 104 14.394 -14.280 1.572 760 H GLU 105 H GLU 105 18.236 -7.739 0.353 761 HA GLU 105 HA GLU 105 18.523 -6.415 -2.114 762 HB2 GLU 105 1HB GLU 105 20.917 -6.144 -1.413 763 HB3 GLU 105 2HB GLU 105 19.739 -5.604 -0.225 764 HG2 GLU 105 1HG GLU 105 20.107 -7.481 1.147 765 HG3 GLU 105 2HG GLU 105 20.989 -8.330 -0.122 766 H SER 106 H SER 106 20.546 -6.787 -3.517 767 HA SER 106 HA SER 106 20.948 -9.658 -4.005 768 HB2 SER 106 1HB SER 106 20.050 -7.555 -5.956 769 HB3 SER 106 2HB SER 106 20.950 -8.966 -6.514 770 HG SER 106 HG SER 106 18.702 -9.284 -4.852 771 H SER 107 H SER 107 23.036 -10.079 -3.813 772 HA SER 107 HA SER 107 24.983 -7.980 -4.470 773 HB2 SER 107 1HB SER 107 25.037 -8.989 -2.177 774 HB3 SER 107 2HB SER 107 25.447 -10.536 -2.917 775 HG SER 107 HG SER 107 27.412 -9.836 -3.335 776 H GLY 108 H GLY 108 26.894 -8.521 -5.659 777 HA2 GLY 108 1HA GLY 108 26.347 -10.496 -7.738 778 HA3 GLY 108 2HA GLY 108 27.583 -9.247 -7.788 779 HA PRO 109 HA PRO 109 29.584 -13.364 -6.916 780 HB2 PRO 109 1HB PRO 109 31.438 -13.168 -8.889 781 HB3 PRO 109 2HB PRO 109 29.827 -13.849 -9.149 782 HG2 PRO 109 1HG PRO 109 30.845 -11.102 -9.768 783 HG3 PRO 109 2HG PRO 109 29.817 -12.162 -10.750 784 HD2 PRO 109 1HD PRO 109 28.820 -10.112 -9.290 785 HD3 PRO 109 2HD PRO 109 27.911 -11.609 -9.579 786 H SER 110 H SER 110 30.587 -10.073 -7.230 787 HA SER 110 HA SER 110 33.249 -10.503 -6.201 788 HB2 SER 110 1HB SER 110 31.733 -7.903 -6.524 789 HB3 SER 110 2HB SER 110 33.472 -8.085 -6.289 790 HG SER 110 HG SER 110 32.024 -8.232 -8.569 791 H SER 111 H SER 111 34.027 -9.791 -4.180 792 HA SER 111 HA SER 111 32.296 -10.316 -2.002 793 HB2 SER 111 1HB SER 111 34.217 -9.714 -0.590 794 HB3 SER 111 2HB SER 111 34.710 -10.778 -1.907 795 HG SER 111 HG SER 111 35.324 -8.807 -3.038 796 H GLY 112 H GLY 112 31.686 -8.897 -0.279 797 HA2 GLY 112 1HA GLY 112 31.997 -6.280 0.135 798 HA3 GLY 112 2HA GLY 112 30.935 -6.264 -1.265 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -12.819 14.871 6.257 2 HA2 GLY 1 1HA GLY 1 -14.776 13.575 6.191 3 HA3 GLY 1 2HA GLY 1 -14.228 12.713 7.621 4 H SER 2 H SER 2 -15.116 13.221 9.521 5 HA SER 2 HA SER 2 -16.453 14.222 11.066 6 HB2 SER 2 1HB SER 2 -15.657 16.767 9.631 7 HB3 SER 2 2HB SER 2 -16.345 16.662 11.252 8 HG SER 2 HG SER 2 -14.289 16.627 11.767 9 H SER 3 H SER 3 -17.794 13.129 8.939 10 HA SER 3 HA SER 3 -20.086 14.953 8.694 11 HB2 SER 3 1HB SER 3 -19.130 15.073 6.531 12 HB3 SER 3 2HB SER 3 -18.775 13.346 6.504 13 HG SER 3 HG SER 3 -20.956 12.923 6.295 14 H GLY 4 H GLY 4 -22.056 14.045 9.019 15 HA2 GLY 4 1HA GLY 4 -22.295 11.645 10.407 16 HA3 GLY 4 2HA GLY 4 -23.624 12.479 9.616 17 H SER 5 H SER 5 -23.857 9.852 9.674 18 HA SER 5 HA SER 5 -24.040 7.936 8.451 19 HB2 SER 5 1HB SER 5 -24.197 10.066 6.321 20 HB3 SER 5 2HB SER 5 -24.414 8.355 5.951 21 HG SER 5 HG SER 5 -26.362 9.654 6.465 22 H SER 6 H SER 6 -21.404 8.575 9.165 23 HA SER 6 HA SER 6 -19.532 8.528 7.102 24 HB2 SER 6 1HB SER 6 -19.054 8.921 9.542 25 HB3 SER 6 2HB SER 6 -19.208 7.183 9.793 26 HG SER 6 HG SER 6 -17.019 8.100 9.385 27 H GLY 7 H GLY 7 -19.886 7.124 5.448 28 HA2 GLY 7 1HA GLY 7 -20.910 4.636 5.352 29 HA3 GLY 7 2HA GLY 7 -19.535 5.105 4.363 30 H THR 8 H THR 8 -20.371 2.561 5.812 31 HA THR 8 HA THR 8 -17.716 2.004 6.913 32 HB THR 8 HB THR 8 -18.704 0.723 8.794 33 HG1 THR 8 1HG THR 8 -20.859 0.669 7.652 34 HG21 THR 8 1HG2 THR 8 -18.813 2.538 10.198 35 HG22 THR 8 2HG2 THR 8 -19.792 3.484 9.077 36 HG23 THR 8 3HG2 THR 8 -18.065 3.283 8.786 37 H ALA 9 H ALA 9 -17.453 -0.413 7.298 38 HA ALA 9 HA ALA 9 -19.154 -2.200 5.846 39 HB1 ALA 9 1HB ALA 9 -17.745 -2.767 4.036 40 HB2 ALA 9 2HB ALA 9 -17.853 -1.006 4.039 41 HB3 ALA 9 3HB ALA 9 -16.413 -1.802 4.674 42 H ARG 10 H ARG 10 -18.144 -4.433 5.728 43 HA ARG 10 HA ARG 10 -16.554 -4.869 8.165 44 HB2 ARG 10 1HB ARG 10 -18.546 -6.635 6.744 45 HB3 ARG 10 2HB ARG 10 -17.500 -7.212 8.034 46 HG2 ARG 10 1HG ARG 10 -18.491 -5.355 9.458 47 HG3 ARG 10 2HG ARG 10 -19.707 -5.187 8.190 48 HD2 ARG 10 1HD ARG 10 -20.504 -7.384 8.530 49 HD3 ARG 10 2HD ARG 10 -19.105 -7.819 9.511 50 HE ARG 10 HE ARG 10 -21.493 -6.531 10.401 51 HH11 ARG 10 2HH1 ARG 10 -18.071 -6.817 10.973 52 HH12 ARG 10 1HH1 ARG 10 -18.183 -6.386 12.647 53 HH21 ARG 10 2HH2 ARG 10 -21.653 -5.962 12.604 54 HH22 ARG 10 1HH2 ARG 10 -20.221 -5.901 13.574 55 H LEU 11 H LEU 11 -14.807 -6.285 8.141 56 HA LEU 11 HA LEU 11 -13.430 -6.468 5.626 57 HB2 LEU 11 1HB LEU 11 -12.288 -5.966 7.758 58 HB3 LEU 11 2HB LEU 11 -12.673 -7.592 8.319 59 HG LEU 11 HG LEU 11 -11.221 -8.564 6.665 60 HD11 LEU 11 1HD1 LEU 11 -11.618 -7.031 4.831 61 HD12 LEU 11 2HD1 LEU 11 -9.889 -7.162 5.151 62 HD13 LEU 11 3HD1 LEU 11 -10.781 -5.742 5.697 63 HD21 LEU 11 1HD2 LEU 11 -9.047 -7.499 7.344 64 HD22 LEU 11 2HD2 LEU 11 -10.102 -7.976 8.675 65 HD23 LEU 11 3HD2 LEU 11 -9.994 -6.281 8.197 66 H VAL 12 H VAL 12 -14.047 -7.969 4.206 67 HA VAL 12 HA VAL 12 -15.113 -10.516 5.056 68 HB VAL 12 HB VAL 12 -14.542 -9.411 2.304 69 HG11 VAL 12 1HG1 VAL 12 -15.408 -12.095 3.215 70 HG12 VAL 12 2HG1 VAL 12 -16.218 -11.417 1.801 71 HG13 VAL 12 3HG1 VAL 12 -14.467 -11.626 1.800 72 HG21 VAL 12 1HG2 VAL 12 -16.357 -8.294 3.513 73 HG22 VAL 12 2HG2 VAL 12 -16.967 -9.215 2.138 74 HG23 VAL 12 3HG2 VAL 12 -17.141 -9.852 3.773 75 H ALA 13 H ALA 13 -12.108 -9.256 3.785 76 HA ALA 13 HA ALA 13 -10.750 -11.704 4.495 77 HB1 ALA 13 1HB ALA 13 -10.202 -10.870 1.703 78 HB2 ALA 13 2HB ALA 13 -10.136 -12.470 2.444 79 HB3 ALA 13 3HB ALA 13 -11.692 -11.762 2.011 80 H GLY 14 H GLY 14 -9.277 -10.763 5.785 81 HA2 GLY 14 1HA GLY 14 -8.198 -8.201 5.493 82 HA3 GLY 14 2HA GLY 14 -7.475 -9.499 6.432 83 H LEU 15 H LEU 15 -5.709 -7.892 5.363 84 HA LEU 15 HA LEU 15 -4.949 -8.523 2.690 85 HB2 LEU 15 1HB LEU 15 -3.464 -7.223 4.963 86 HB3 LEU 15 2HB LEU 15 -2.797 -7.406 3.342 87 HG LEU 15 HG LEU 15 -5.407 -6.001 3.673 88 HD11 LEU 15 1HD1 LEU 15 -4.213 -3.880 4.019 89 HD12 LEU 15 2HD1 LEU 15 -2.711 -4.776 4.239 90 HD13 LEU 15 3HD1 LEU 15 -4.035 -4.980 5.385 91 HD21 LEU 15 1HD2 LEU 15 -3.937 -4.627 1.873 92 HD22 LEU 15 2HD2 LEU 15 -4.978 -5.990 1.463 93 HD23 LEU 15 3HD2 LEU 15 -3.246 -6.240 1.688 94 H GLU 16 H GLU 16 -2.425 -9.167 2.506 95 HA GLU 16 HA GLU 16 -1.959 -11.547 4.160 96 HB2 GLU 16 1HB GLU 16 -1.739 -11.477 1.145 97 HB3 GLU 16 2HB GLU 16 -1.323 -12.840 2.175 98 HG2 GLU 16 1HG GLU 16 -3.524 -13.330 2.650 99 HG3 GLU 16 2HG GLU 16 -4.077 -11.700 2.269 100 H ASP 17 H ASP 17 0.278 -12.356 4.002 101 HA ASP 17 HA ASP 17 2.131 -10.155 4.109 102 HB2 ASP 17 1HB ASP 17 3.774 -11.914 4.767 103 HB3 ASP 17 2HB ASP 17 2.329 -11.892 5.774 104 H VAL 18 H VAL 18 3.709 -9.633 2.688 105 HA VAL 18 HA VAL 18 4.171 -11.394 0.387 106 HB VAL 18 HB VAL 18 3.676 -8.424 0.132 107 HG11 VAL 18 1HG1 VAL 18 3.853 -8.773 -2.243 108 HG12 VAL 18 2HG1 VAL 18 5.311 -9.389 -1.464 109 HG13 VAL 18 3HG1 VAL 18 4.063 -10.508 -2.012 110 HG21 VAL 18 1HG2 VAL 18 1.877 -10.170 -1.320 111 HG22 VAL 18 2HG2 VAL 18 1.788 -10.435 0.421 112 HG23 VAL 18 3HG2 VAL 18 1.514 -8.823 -0.240 113 H GLN 19 H GLN 19 6.201 -11.174 -0.598 114 HA GLN 19 HA GLN 19 8.099 -9.289 0.560 115 HB2 GLN 19 1HB GLN 19 9.628 -10.875 1.337 116 HB3 GLN 19 2HB GLN 19 8.076 -11.509 1.868 117 HG2 GLN 19 1HG GLN 19 8.046 -13.061 0.004 118 HG3 GLN 19 2HG GLN 19 9.570 -12.400 -0.589 119 HE21 GLN 19 1HE2 GLN 19 8.346 -13.463 2.572 120 HE22 GLN 19 2HE2 GLN 19 9.670 -14.516 2.920 121 H VAL 20 H VAL 20 9.496 -8.535 -0.911 122 HA VAL 20 HA VAL 20 10.046 -10.105 -3.319 123 HB VAL 20 HB VAL 20 9.655 -8.198 -4.793 124 HG11 VAL 20 1HG1 VAL 20 7.805 -9.579 -4.788 125 HG12 VAL 20 2HG1 VAL 20 7.413 -9.225 -3.104 126 HG13 VAL 20 3HG1 VAL 20 7.094 -8.024 -4.357 127 HG21 VAL 20 1HG2 VAL 20 10.059 -6.351 -3.337 128 HG22 VAL 20 2HG2 VAL 20 8.391 -6.230 -3.895 129 HG23 VAL 20 3HG2 VAL 20 8.736 -6.826 -2.272 130 H TYR 21 H TYR 21 11.938 -9.441 -4.463 131 HA TYR 21 HA TYR 21 13.994 -8.453 -2.720 132 HB2 TYR 21 1HB TYR 21 13.940 -9.462 -5.551 133 HB3 TYR 21 2HB TYR 21 15.388 -8.710 -4.890 134 HD1 TYR 21 1HD TYR 21 12.984 -11.489 -4.327 135 HD2 TYR 21 2HD TYR 21 16.880 -9.952 -3.577 136 HE1 TYR 21 1HE TYR 21 13.631 -13.637 -3.320 137 HE2 TYR 21 2HE TYR 21 17.538 -12.096 -2.569 138 HH TYR 21 HH TYR 21 15.314 -14.476 -1.695 139 H ASP 22 H ASP 22 15.475 -6.713 -3.317 140 HA ASP 22 HA ASP 22 14.244 -4.270 -3.656 141 HB2 ASP 22 1HB ASP 22 16.363 -3.325 -3.661 142 HB3 ASP 22 2HB ASP 22 16.672 -4.885 -2.904 143 H GLY 23 H GLY 23 13.845 -2.895 -5.352 144 HA2 GLY 23 1HA GLY 23 13.737 -2.169 -7.558 145 HA3 GLY 23 2HA GLY 23 14.695 -3.563 -8.035 146 H GLU 24 H GLU 24 12.774 -5.347 -6.554 147 HA GLU 24 HA GLU 24 11.113 -5.968 -8.765 148 HB2 GLU 24 1HB GLU 24 10.916 -6.939 -5.909 149 HB3 GLU 24 2HB GLU 24 10.137 -7.675 -7.303 150 HG2 GLU 24 1HG GLU 24 13.100 -7.469 -6.823 151 HG3 GLU 24 2HG GLU 24 12.111 -8.919 -6.666 152 H ASP 25 H ASP 25 8.651 -6.524 -8.021 153 HA ASP 25 HA ASP 25 7.538 -3.953 -7.106 154 HB2 ASP 25 1HB ASP 25 5.489 -4.793 -8.490 155 HB3 ASP 25 2HB ASP 25 6.863 -4.072 -9.325 156 H ALA 26 H ALA 26 5.874 -3.956 -5.639 157 HA ALA 26 HA ALA 26 5.402 -6.515 -4.281 158 HB1 ALA 26 1HB ALA 26 4.997 -5.335 -2.316 159 HB2 ALA 26 2HB ALA 26 6.302 -4.427 -3.080 160 HB3 ALA 26 3HB ALA 26 4.643 -3.835 -3.175 161 H VAL 27 H VAL 27 3.268 -7.058 -3.556 162 HA VAL 27 HA VAL 27 1.076 -5.687 -4.945 163 HB VAL 27 HB VAL 27 1.425 -8.688 -4.917 164 HG11 VAL 27 1HG1 VAL 27 -0.902 -7.212 -5.061 165 HG12 VAL 27 2HG1 VAL 27 -0.526 -7.556 -6.750 166 HG13 VAL 27 3HG1 VAL 27 -0.692 -8.879 -5.595 167 HG21 VAL 27 1HG2 VAL 27 1.548 -6.838 -7.290 168 HG22 VAL 27 2HG2 VAL 27 2.976 -7.428 -6.440 169 HG23 VAL 27 3HG2 VAL 27 1.898 -8.566 -7.248 170 H PHE 28 H PHE 28 -0.595 -5.291 -3.650 171 HA PHE 28 HA PHE 28 -1.164 -7.071 -1.409 172 HB2 PHE 28 1HB PHE 28 -0.726 -4.095 -1.078 173 HB3 PHE 28 2HB PHE 28 -1.328 -5.180 0.172 174 HD1 PHE 28 1HD PHE 28 0.180 -7.070 0.938 175 HD2 PHE 28 2HD PHE 28 1.561 -3.791 -1.398 176 HE1 PHE 28 1HE PHE 28 2.491 -7.551 1.635 177 HE2 PHE 28 2HE PHE 28 3.874 -4.267 -0.706 178 HZ PHE 28 HZ PHE 28 4.341 -6.150 0.812 179 H SER 29 H SER 29 -3.295 -7.286 -1.007 180 HA SER 29 HA SER 29 -5.211 -5.275 -1.751 181 HB2 SER 29 1HB SER 29 -6.445 -6.635 -3.368 182 HB3 SER 29 2HB SER 29 -4.797 -6.361 -3.933 183 HG SER 29 HG SER 29 -5.816 -8.618 -3.927 184 H LEU 30 H LEU 30 -7.441 -5.937 -1.202 185 HA LEU 30 HA LEU 30 -7.649 -8.233 0.587 186 HB2 LEU 30 1HB LEU 30 -8.605 -6.931 2.385 187 HB3 LEU 30 2HB LEU 30 -6.979 -6.362 2.012 188 HG LEU 30 HG LEU 30 -8.352 -4.620 0.539 189 HD11 LEU 30 1HD1 LEU 30 -10.332 -3.929 2.000 190 HD12 LEU 30 2HD1 LEU 30 -10.262 -5.568 2.648 191 HD13 LEU 30 3HD1 LEU 30 -10.549 -5.312 0.927 192 HD21 LEU 30 1HD2 LEU 30 -7.702 -4.553 3.468 193 HD22 LEU 30 2HD2 LEU 30 -8.356 -3.147 2.629 194 HD23 LEU 30 3HD2 LEU 30 -6.815 -3.839 2.122 195 H ASP 31 H ASP 31 -10.020 -8.328 1.448 196 HA ASP 31 HA ASP 31 -11.836 -7.585 -0.751 197 HB2 ASP 31 1HB ASP 31 -11.913 -10.126 0.891 198 HB3 ASP 31 2HB ASP 31 -13.048 -9.685 -0.381 199 H LEU 32 H LEU 32 -13.929 -6.974 -0.204 200 HA LEU 32 HA LEU 32 -14.515 -6.695 2.661 201 HB2 LEU 32 1HB LEU 32 -15.009 -4.547 0.608 202 HB3 LEU 32 2HB LEU 32 -15.325 -4.450 2.339 203 HG LEU 32 HG LEU 32 -12.592 -4.657 1.076 204 HD11 LEU 32 1HD1 LEU 32 -12.445 -2.287 2.041 205 HD12 LEU 32 2HD1 LEU 32 -14.207 -2.333 2.061 206 HD13 LEU 32 3HD1 LEU 32 -13.338 -2.516 0.538 207 HD21 LEU 32 1HD2 LEU 32 -12.191 -5.496 3.150 208 HD22 LEU 32 2HD2 LEU 32 -13.593 -4.701 3.867 209 HD23 LEU 32 3HD2 LEU 32 -12.125 -3.777 3.542 210 H SER 33 H SER 33 -16.842 -6.183 3.062 211 HA SER 33 HA SER 33 -18.477 -7.935 1.440 212 HB2 SER 33 1HB SER 33 -18.504 -7.791 4.007 213 HB3 SER 33 2HB SER 33 -19.435 -6.308 3.791 214 HG SER 33 HG SER 33 -20.530 -8.521 3.982 215 H THR 34 H THR 34 -17.974 -4.540 1.865 216 HA THR 34 HA THR 34 -19.751 -3.970 -0.346 217 HB THR 34 HB THR 34 -21.194 -3.869 1.734 218 HG1 THR 34 1HG THR 34 -22.313 -2.391 0.689 219 HG21 THR 34 1HG2 THR 34 -20.545 -1.258 2.574 220 HG22 THR 34 2HG2 THR 34 -19.040 -2.179 2.590 221 HG23 THR 34 3HG2 THR 34 -20.435 -2.751 3.505 222 H ILE 35 H ILE 35 -19.654 -1.607 -0.936 223 HA ILE 35 HA ILE 35 -16.985 -0.799 -1.232 224 HB ILE 35 HB ILE 35 -19.431 0.952 -1.488 225 HG12 ILE 35 1HG1 ILE 35 -18.071 -0.685 -3.635 226 HG13 ILE 35 2HG1 ILE 35 -19.536 -1.188 -2.800 227 HG21 ILE 35 1HG2 ILE 35 -16.577 1.298 -2.085 228 HG22 ILE 35 2HG2 ILE 35 -17.674 1.782 -3.377 229 HG23 ILE 35 3HG2 ILE 35 -17.827 2.502 -1.774 230 HD11 ILE 35 1HD1 ILE 35 -20.096 -0.232 -4.931 231 HD12 ILE 35 2HD1 ILE 35 -20.665 0.833 -3.644 232 HD13 ILE 35 3HD1 ILE 35 -19.204 1.239 -4.545 233 H ILE 36 H ILE 36 -15.829 0.945 -0.349 234 HA ILE 36 HA ILE 36 -16.846 2.547 1.774 235 HB ILE 36 HB ILE 36 -16.551 0.379 2.964 236 HG12 ILE 36 1HG1 ILE 36 -14.515 2.348 3.978 237 HG13 ILE 36 2HG1 ILE 36 -16.230 2.743 3.969 238 HG21 ILE 36 1HG2 ILE 36 -14.570 -0.322 1.589 239 HG22 ILE 36 2HG2 ILE 36 -13.601 0.802 2.540 240 HG23 ILE 36 3HG2 ILE 36 -14.397 -0.561 3.327 241 HD11 ILE 36 1HD1 ILE 36 -15.125 0.292 5.303 242 HD12 ILE 36 2HD1 ILE 36 -15.320 1.840 6.124 243 HD13 ILE 36 3HD1 ILE 36 -16.730 1.000 5.480 244 H GLN 37 H GLN 37 -15.489 4.245 2.279 245 HA GLN 37 HA GLN 37 -13.234 4.597 0.475 246 HB2 GLN 37 1HB GLN 37 -15.017 6.359 0.849 247 HB3 GLN 37 2HB GLN 37 -14.332 6.594 2.452 248 HG2 GLN 37 1HG GLN 37 -12.392 7.529 1.635 249 HG3 GLN 37 2HG GLN 37 -12.574 6.779 0.050 250 HE21 GLN 37 1HE2 GLN 37 -13.583 7.868 -1.531 251 HE22 GLN 37 2HE2 GLN 37 -14.297 9.430 -1.348 252 H GLY 38 H GLY 38 -11.455 3.567 1.211 253 HA2 GLY 38 1HA GLY 38 -10.689 3.996 4.027 254 HA3 GLY 38 2HA GLY 38 -10.147 2.653 3.031 255 H THR 39 H THR 39 -8.082 3.553 4.070 256 HA THR 39 HA THR 39 -6.832 5.325 2.097 257 HB THR 39 HB THR 39 -6.424 5.646 5.076 258 HG1 THR 39 1HG THR 39 -8.450 6.470 4.438 259 HG21 THR 39 1HG2 THR 39 -4.723 7.037 4.616 260 HG22 THR 39 2HG2 THR 39 -5.585 7.788 3.273 261 HG23 THR 39 3HG2 THR 39 -4.709 6.278 3.025 262 H TRP 40 H TRP 40 -4.692 4.893 1.666 263 HA TRP 40 HA TRP 40 -3.720 2.328 2.654 264 HB2 TRP 40 1HB TRP 40 -3.061 4.075 0.312 265 HB3 TRP 40 2HB TRP 40 -1.886 2.882 0.857 266 HD1 TRP 40 HD TRP 40 -4.805 3.227 -1.364 267 HE1 TRP 40 1HE TRP 40 -5.626 0.919 -2.153 268 HE3 TRP 40 3HE TRP 40 -2.207 0.280 1.907 269 HZ2 TRP 40 2HZ TRP 40 -5.225 -1.793 -1.478 270 HZ3 TRP 40 3HZ TRP 40 -2.482 -2.161 1.769 271 HH2 TRP 40 HH TRP 40 -3.961 -3.174 0.112 272 H PHE 41 H PHE 41 -1.896 2.047 3.845 273 HA PHE 41 HA PHE 41 -0.465 4.486 4.676 274 HB2 PHE 41 1HB PHE 41 -1.475 2.161 6.261 275 HB3 PHE 41 2HB PHE 41 -0.008 2.976 6.793 276 HD1 PHE 41 2HD PHE 41 -3.397 3.944 5.555 277 HD2 PHE 41 1HD PHE 41 -0.296 4.572 8.402 278 HE1 PHE 41 2HE PHE 41 -4.762 5.671 6.655 279 HE2 PHE 41 1HE PHE 41 -1.656 6.299 9.507 280 HZ PHE 41 HZ PHE 41 -3.891 6.852 8.634 281 H LEU 42 H LEU 42 1.773 4.117 5.406 282 HA LEU 42 HA LEU 42 3.045 1.723 4.314 283 HB2 LEU 42 1HB LEU 42 3.169 3.255 2.483 284 HB3 LEU 42 2HB LEU 42 3.726 4.551 3.539 285 HG LEU 42 HG LEU 42 5.819 3.211 3.913 286 HD11 LEU 42 1HD1 LEU 42 6.211 1.242 2.904 287 HD12 LEU 42 2HD1 LEU 42 5.362 1.706 1.430 288 HD13 LEU 42 3HD1 LEU 42 4.451 1.147 2.833 289 HD21 LEU 42 1HD2 LEU 42 5.117 4.163 1.143 290 HD22 LEU 42 2HD2 LEU 42 6.754 3.756 1.658 291 HD23 LEU 42 3HD2 LEU 42 5.889 5.082 2.435 292 H ASN 43 H ASN 43 4.486 0.939 5.699 293 HA ASN 43 HA ASN 43 5.830 0.736 7.526 294 HB2 ASN 43 1HB ASN 43 6.640 3.304 6.259 295 HB3 ASN 43 2HB ASN 43 7.261 2.972 7.873 296 HD21 ASN 43 1HD2 ASN 43 7.702 2.490 4.600 297 HD22 ASN 43 2HD2 ASN 43 8.883 1.231 4.676 298 H GLY 44 H GLY 44 3.109 1.864 7.866 299 HA2 GLY 44 1HA GLY 44 2.052 2.189 9.970 300 HA3 GLY 44 2HA GLY 44 3.532 2.923 10.569 301 H GLU 45 H GLU 45 3.795 4.608 8.150 302 HA GLU 45 HA GLU 45 2.174 6.795 9.088 303 HB2 GLU 45 1HB GLU 45 3.613 8.153 7.965 304 HB3 GLU 45 2HB GLU 45 4.637 6.727 8.049 305 HG2 GLU 45 1HG GLU 45 3.986 6.090 5.806 306 HG3 GLU 45 2HG GLU 45 2.884 7.463 5.716 307 H GLU 46 H GLU 46 1.201 8.247 7.257 308 HA GLU 46 HA GLU 46 -0.612 6.518 5.724 309 HB2 GLU 46 1HB GLU 46 -1.631 8.080 7.358 310 HB3 GLU 46 2HB GLU 46 -0.934 9.429 6.473 311 HG2 GLU 46 1HG GLU 46 -2.260 8.879 4.526 312 HG3 GLU 46 2HG GLU 46 -2.914 7.463 5.347 313 H LEU 47 H LEU 47 -0.702 6.594 3.553 314 HA LEU 47 HA LEU 47 1.361 8.005 2.142 315 HB2 LEU 47 1HB LEU 47 -0.869 6.180 1.300 316 HB3 LEU 47 2HB LEU 47 0.161 6.992 0.124 317 HG LEU 47 HG LEU 47 1.272 5.200 2.269 318 HD11 LEU 47 1HD1 LEU 47 -0.285 4.464 -0.042 319 HD12 LEU 47 2HD1 LEU 47 0.370 3.450 1.243 320 HD13 LEU 47 3HD1 LEU 47 1.361 3.842 -0.162 321 HD21 LEU 47 1HD2 LEU 47 3.071 5.001 0.463 322 HD22 LEU 47 2HD2 LEU 47 2.974 6.519 1.355 323 HD23 LEU 47 3HD2 LEU 47 2.308 6.410 -0.275 324 H LYS 48 H LYS 48 1.113 10.152 1.960 325 HA LYS 48 HA LYS 48 -1.147 11.675 1.970 326 HB2 LYS 48 1HB LYS 48 0.108 13.425 0.965 327 HB3 LYS 48 2HB LYS 48 1.247 12.478 1.913 328 HG2 LYS 48 1HG LYS 48 0.924 11.761 -0.943 329 HG3 LYS 48 2HG LYS 48 1.763 13.267 -0.565 330 HD2 LYS 48 1HD LYS 48 2.493 10.698 0.803 331 HD3 LYS 48 2HD LYS 48 3.151 11.105 -0.783 332 HE2 LYS 48 1HE LYS 48 4.259 13.000 0.042 333 HE3 LYS 48 2HE LYS 48 3.307 13.017 1.526 334 HZ1 LYS 48 1HZ LYS 48 5.392 12.179 2.125 335 HZ2 LYS 48 2HZ LYS 48 5.487 11.163 0.777 336 HZ3 LYS 48 3HZ LYS 48 4.402 10.811 2.027 337 H SER 49 H SER 49 0.077 9.730 -0.647 338 HA SER 49 HA SER 49 -0.580 9.572 -2.866 339 HB2 SER 49 1HB SER 49 -2.901 8.699 -2.988 340 HB3 SER 49 2HB SER 49 -1.973 7.963 -1.682 341 HG SER 49 HG SER 49 -3.111 9.096 -0.213 342 H ASN 50 H ASN 50 -0.361 12.280 -2.232 343 HA ASN 50 HA ASN 50 -2.628 13.417 -3.733 344 HB2 ASN 50 1HB ASN 50 -1.037 14.634 -1.470 345 HB3 ASN 50 2HB ASN 50 -2.105 15.571 -2.511 346 HD21 ASN 50 1HD2 ASN 50 -2.117 14.802 0.409 347 HD22 ASN 50 2HD2 ASN 50 -3.709 14.187 0.676 348 H GLU 51 H GLU 51 0.538 14.694 -2.737 349 HA GLU 51 HA GLU 51 1.433 14.751 -5.505 350 HB2 GLU 51 1HB GLU 51 2.113 17.245 -5.035 351 HB3 GLU 51 2HB GLU 51 0.507 16.854 -5.632 352 HG2 GLU 51 1HG GLU 51 -0.350 16.951 -3.329 353 HG3 GLU 51 2HG GLU 51 1.258 17.410 -2.771 354 HA PRO 52 HA PRO 52 5.362 14.000 -3.697 355 HB2 PRO 52 1HB PRO 52 7.003 15.094 -5.562 356 HB3 PRO 52 2HB PRO 52 6.122 13.584 -5.825 357 HG2 PRO 52 1HG PRO 52 5.452 16.353 -6.745 358 HG3 PRO 52 2HG PRO 52 5.352 14.823 -7.636 359 HD2 PRO 52 1HD PRO 52 3.184 16.008 -6.529 360 HD3 PRO 52 2HD PRO 52 3.342 14.245 -6.669 361 H GLU 53 H GLU 53 3.987 16.968 -3.706 362 HA GLU 53 HA GLU 53 5.981 18.839 -3.347 363 HB2 GLU 53 1HB GLU 53 3.441 19.166 -3.349 364 HB3 GLU 53 2HB GLU 53 3.502 18.773 -1.637 365 HG2 GLU 53 1HG GLU 53 3.490 21.210 -2.163 366 HG3 GLU 53 2HG GLU 53 4.833 20.673 -1.156 367 H GLY 54 H GLY 54 7.310 19.464 -1.702 368 HA2 GLY 54 1HA GLY 54 7.670 19.436 0.767 369 HA3 GLY 54 2HA GLY 54 7.330 17.714 0.681 370 H GLN 55 H GLN 55 9.059 16.457 0.739 371 HA GLN 55 HA GLN 55 11.612 17.551 -0.242 372 HB2 GLN 55 1HB GLN 55 12.550 15.681 1.318 373 HB3 GLN 55 2HB GLN 55 11.998 17.200 2.012 374 HG2 GLN 55 1HG GLN 55 10.032 16.245 2.835 375 HG3 GLN 55 2HG GLN 55 10.185 14.825 1.801 376 HE21 GLN 55 1HE2 GLN 55 10.196 15.593 4.856 377 HE22 GLN 55 2HE2 GLN 55 11.407 14.534 5.485 378 H VAL 56 H VAL 56 9.448 16.018 -1.668 379 HA VAL 56 HA VAL 56 11.017 13.656 -2.465 380 HB VAL 56 HB VAL 56 8.074 14.213 -2.867 381 HG11 VAL 56 1HG1 VAL 56 9.027 12.922 -4.712 382 HG12 VAL 56 2HG1 VAL 56 9.693 11.763 -3.560 383 HG13 VAL 56 3HG1 VAL 56 7.945 11.935 -3.731 384 HG21 VAL 56 1HG2 VAL 56 9.320 12.063 -1.174 385 HG22 VAL 56 2HG2 VAL 56 8.897 13.649 -0.530 386 HG23 VAL 56 3HG2 VAL 56 7.642 12.605 -1.197 387 H GLU 57 H GLU 57 11.217 13.161 -4.703 388 HA GLU 57 HA GLU 57 11.142 15.557 -6.401 389 HB2 GLU 57 1HB GLU 57 12.865 14.543 -7.730 390 HB3 GLU 57 2HB GLU 57 13.340 14.429 -6.041 391 HG2 GLU 57 1HG GLU 57 12.674 12.108 -5.972 392 HG3 GLU 57 2HG GLU 57 12.084 12.204 -7.630 393 HA PRO 58 HA PRO 58 8.021 13.895 -9.003 394 HB2 PRO 58 1HB PRO 58 8.735 14.959 -11.397 395 HB3 PRO 58 2HB PRO 58 8.029 15.919 -10.091 396 HG2 PRO 58 1HG PRO 58 10.899 15.628 -10.889 397 HG3 PRO 58 2HG PRO 58 10.008 17.091 -10.430 398 HD2 PRO 58 1HD PRO 58 11.647 15.785 -8.715 399 HD3 PRO 58 2HD PRO 58 10.191 16.647 -8.176 400 H GLY 59 H GLY 59 8.737 11.668 -8.789 401 HA2 GLY 59 1HA GLY 59 8.784 9.848 -10.451 402 HA3 GLY 59 2HA GLY 59 10.104 10.709 -11.228 403 H ALA 60 H ALA 60 9.495 9.899 -7.817 404 HA ALA 60 HA ALA 60 12.200 8.774 -7.687 405 HB1 ALA 60 1HB ALA 60 10.444 9.305 -5.315 406 HB2 ALA 60 2HB ALA 60 12.204 9.217 -5.396 407 HB3 ALA 60 3HB ALA 60 11.356 10.599 -6.092 408 H LEU 61 H LEU 61 8.892 8.036 -6.584 409 HA LEU 61 HA LEU 61 9.618 5.180 -6.643 410 HB2 LEU 61 1HB LEU 61 8.209 4.759 -4.797 411 HB3 LEU 61 2HB LEU 61 9.203 6.150 -4.366 412 HG LEU 61 HG LEU 61 6.488 6.641 -5.490 413 HD11 LEU 61 1HD1 LEU 61 6.865 6.072 -2.569 414 HD12 LEU 61 2HD1 LEU 61 6.368 4.817 -3.704 415 HD13 LEU 61 3HD1 LEU 61 5.365 6.249 -3.479 416 HD21 LEU 61 1HD2 LEU 61 8.497 8.236 -4.546 417 HD22 LEU 61 2HD2 LEU 61 7.445 8.091 -3.137 418 HD23 LEU 61 3HD2 LEU 61 6.798 8.698 -4.663 419 H ARG 62 H ARG 62 7.820 3.707 -7.099 420 HA ARG 62 HA ARG 62 5.744 4.955 -8.776 421 HB2 ARG 62 1HB ARG 62 7.439 2.528 -9.325 422 HB3 ARG 62 2HB ARG 62 5.900 2.782 -10.137 423 HG2 ARG 62 1HG ARG 62 8.005 4.905 -10.175 424 HG3 ARG 62 2HG ARG 62 8.075 3.541 -11.292 425 HD2 ARG 62 1HD ARG 62 5.627 4.149 -11.832 426 HD3 ARG 62 2HD ARG 62 6.001 5.692 -11.066 427 HE ARG 62 HE ARG 62 7.999 5.434 -12.845 428 HH11 ARG 62 2HH1 ARG 62 4.544 5.113 -13.132 429 HH12 ARG 62 1HH1 ARG 62 4.502 5.634 -14.784 430 HH21 ARG 62 2HH2 ARG 62 7.956 6.121 -15.020 431 HH22 ARG 62 1HH2 ARG 62 6.444 6.206 -15.857 432 H TYR 63 H TYR 63 3.779 4.579 -8.016 433 HA TYR 63 HA TYR 63 3.134 1.953 -6.912 434 HB2 TYR 63 1HB TYR 63 2.013 2.936 -4.962 435 HB3 TYR 63 2HB TYR 63 3.731 3.318 -4.965 436 HD1 TYR 63 1HD TYR 63 4.207 5.617 -6.380 437 HD2 TYR 63 2HD TYR 63 0.641 4.645 -4.273 438 HE1 TYR 63 1HE TYR 63 3.679 8.011 -6.181 439 HE2 TYR 63 2HE TYR 63 0.102 7.036 -4.070 440 HH TYR 63 HH TYR 63 0.766 9.114 -4.471 441 H ARG 64 H ARG 64 1.005 1.340 -7.173 442 HA ARG 64 HA ARG 64 -0.723 3.239 -8.618 443 HB2 ARG 64 1HB ARG 64 0.334 1.305 -9.969 444 HB3 ARG 64 2HB ARG 64 -0.795 0.273 -9.101 445 HG2 ARG 64 1HG ARG 64 -2.603 1.894 -9.940 446 HG3 ARG 64 2HG ARG 64 -1.371 2.442 -11.079 447 HD2 ARG 64 1HD ARG 64 -1.903 -0.479 -10.803 448 HD3 ARG 64 2HD ARG 64 -3.036 0.516 -11.716 449 HE ARG 64 HE ARG 64 -0.308 0.911 -12.500 450 HH11 ARG 64 2HH1 ARG 64 -3.126 -1.089 -12.924 451 HH12 ARG 64 1HH1 ARG 64 -2.663 -1.633 -14.502 452 HH21 ARG 64 2HH2 ARG 64 0.312 0.203 -14.578 453 HH22 ARG 64 1HH2 ARG 64 -0.707 -0.898 -15.442 454 H ILE 65 H ILE 65 -2.349 3.766 -7.317 455 HA ILE 65 HA ILE 65 -3.338 1.848 -5.355 456 HB ILE 65 HB ILE 65 -3.938 4.774 -5.780 457 HG12 ILE 65 1HG1 ILE 65 -2.683 3.444 -3.384 458 HG13 ILE 65 2HG1 ILE 65 -1.723 3.993 -4.754 459 HG21 ILE 65 1HG2 ILE 65 -4.986 2.998 -3.584 460 HG22 ILE 65 2HG2 ILE 65 -5.340 4.706 -3.834 461 HG23 ILE 65 3HG2 ILE 65 -5.924 3.506 -4.987 462 HD11 ILE 65 1HD1 ILE 65 -3.313 6.169 -4.105 463 HD12 ILE 65 2HD1 ILE 65 -2.819 5.492 -2.553 464 HD13 ILE 65 3HD1 ILE 65 -1.601 5.955 -3.741 465 H GLU 66 H GLU 66 -4.773 0.434 -6.130 466 HA GLU 66 HA GLU 66 -6.836 1.399 -7.991 467 HB2 GLU 66 1HB GLU 66 -6.019 -1.453 -7.412 468 HB3 GLU 66 2HB GLU 66 -7.148 -0.920 -8.650 469 HG2 GLU 66 1HG GLU 66 -5.063 0.489 -9.445 470 HG3 GLU 66 2HG GLU 66 -4.186 -0.780 -8.592 471 H GLN 67 H GLN 67 -8.822 1.680 -7.238 472 HA GLN 67 HA GLN 67 -9.662 0.141 -4.871 473 HB2 GLN 67 1HB GLN 67 -9.165 2.663 -4.560 474 HB3 GLN 67 2HB GLN 67 -10.668 2.915 -5.439 475 HG2 GLN 67 1HG GLN 67 -11.570 1.200 -3.632 476 HG3 GLN 67 2HG GLN 67 -10.214 1.850 -2.713 477 HE21 GLN 67 1HE2 GLN 67 -13.388 2.157 -3.115 478 HE22 GLN 67 2HE2 GLN 67 -13.599 3.835 -2.765 479 H LYS 68 H LYS 68 -11.271 -1.184 -5.346 480 HA LYS 68 HA LYS 68 -13.302 -0.303 -7.288 481 HB2 LYS 68 1HB LYS 68 -11.745 -2.841 -7.188 482 HB3 LYS 68 2HB LYS 68 -13.432 -2.936 -7.677 483 HG2 LYS 68 1HG LYS 68 -13.063 -1.500 -9.532 484 HG3 LYS 68 2HG LYS 68 -11.444 -1.085 -8.966 485 HD2 LYS 68 1HD LYS 68 -11.088 -3.693 -9.139 486 HD3 LYS 68 2HD LYS 68 -12.422 -3.569 -10.288 487 HE2 LYS 68 1HE LYS 68 -9.993 -1.807 -10.455 488 HE3 LYS 68 2HE LYS 68 -10.051 -3.396 -11.216 489 HZ1 LYS 68 1HZ LYS 68 -10.671 -1.498 -12.685 490 HZ2 LYS 68 2HZ LYS 68 -12.051 -1.270 -11.734 491 HZ3 LYS 68 3HZ LYS 68 -11.841 -2.716 -12.586 492 H GLY 69 H GLY 69 -14.497 0.372 -5.393 493 HA2 GLY 69 1HA GLY 69 -16.093 0.084 -3.767 494 HA3 GLY 69 2HA GLY 69 -16.483 -1.405 -4.615 495 H LEU 70 H LEU 70 -16.304 -3.212 -3.477 496 HA LEU 70 HA LEU 70 -14.983 -3.139 -0.895 497 HB2 LEU 70 1HB LEU 70 -15.876 -5.637 -1.011 498 HB3 LEU 70 2HB LEU 70 -16.910 -4.276 -0.582 499 HG LEU 70 HG LEU 70 -16.774 -5.054 -3.446 500 HD11 LEU 70 1HD1 LEU 70 -17.017 -7.130 -1.865 501 HD12 LEU 70 2HD1 LEU 70 -18.048 -6.950 -3.284 502 HD13 LEU 70 3HD1 LEU 70 -18.667 -6.533 -1.686 503 HD21 LEU 70 1HD2 LEU 70 -19.365 -4.639 -2.228 504 HD22 LEU 70 2HD2 LEU 70 -18.595 -3.781 -3.563 505 HD23 LEU 70 3HD2 LEU 70 -18.266 -3.299 -1.898 506 H GLN 71 H GLN 71 -13.274 -2.970 -3.177 507 HA GLN 71 HA GLN 71 -11.528 -5.207 -2.575 508 HB2 GLN 71 1HB GLN 71 -13.038 -5.804 -4.574 509 HB3 GLN 71 2HB GLN 71 -12.100 -4.615 -5.468 510 HG2 GLN 71 1HG GLN 71 -10.096 -5.855 -5.175 511 HG3 GLN 71 2HG GLN 71 -10.868 -6.945 -4.024 512 HE21 GLN 71 1HE2 GLN 71 -13.055 -7.820 -5.096 513 HE22 GLN 71 2HE2 GLN 71 -12.801 -8.567 -6.633 514 H HIS 72 H HIS 72 -9.846 -4.040 -1.869 515 HA HIS 72 HA HIS 72 -8.915 -1.793 -3.527 516 HB2 HIS 72 1HB HIS 72 -8.238 -2.351 -0.634 517 HB3 HIS 72 2HB HIS 72 -7.845 -0.900 -1.551 518 HD2 HIS 72 2HD HIS 72 -11.198 -2.673 -0.391 519 HE1 HIS 72 1HE HIS 72 -11.722 1.537 -0.406 520 HE2 HIS 72 2HE HIS 72 -12.752 -0.685 0.181 521 H ARG 73 H ARG 73 -6.644 -1.543 -3.871 522 HA ARG 73 HA ARG 73 -4.846 -3.682 -3.177 523 HB2 ARG 73 1HB ARG 73 -5.915 -4.735 -5.065 524 HB3 ARG 73 2HB ARG 73 -5.717 -3.286 -6.041 525 HG2 ARG 73 1HG ARG 73 -3.345 -3.581 -6.119 526 HG3 ARG 73 2HG ARG 73 -3.427 -4.907 -4.957 527 HD2 ARG 73 1HD ARG 73 -3.190 -5.912 -7.082 528 HD3 ARG 73 2HD ARG 73 -4.882 -6.115 -6.632 529 HE ARG 73 HE ARG 73 -4.495 -3.756 -8.169 530 HH11 ARG 73 2HH1 ARG 73 -4.739 -7.220 -8.411 531 HH12 ARG 73 1HH1 ARG 73 -5.316 -7.197 -10.044 532 HH21 ARG 73 2HH2 ARG 73 -5.255 -3.711 -10.320 533 HH22 ARG 73 1HH2 ARG 73 -5.609 -5.200 -11.129 534 H LEU 74 H LEU 74 -2.664 -3.173 -3.571 535 HA LEU 74 HA LEU 74 -2.069 -0.582 -4.777 536 HB2 LEU 74 1HB LEU 74 -2.376 0.024 -2.497 537 HB3 LEU 74 2HB LEU 74 -1.425 -1.351 -1.940 538 HG LEU 74 HG LEU 74 0.569 -0.260 -3.047 539 HD11 LEU 74 1HD1 LEU 74 0.498 1.892 -3.837 540 HD12 LEU 74 2HD1 LEU 74 -0.950 2.301 -2.916 541 HD13 LEU 74 3HD1 LEU 74 -1.078 1.294 -4.358 542 HD21 LEU 74 1HD2 LEU 74 -0.262 1.688 -1.032 543 HD22 LEU 74 2HD2 LEU 74 1.108 0.578 -1.042 544 HD23 LEU 74 3HD2 LEU 74 -0.485 0.009 -0.540 545 H ILE 75 H ILE 75 -0.648 -1.123 -6.297 546 HA ILE 75 HA ILE 75 1.360 -3.182 -5.715 547 HB ILE 75 HB ILE 75 0.734 -1.947 -8.395 548 HG12 ILE 75 1HG1 ILE 75 -0.291 -4.433 -8.575 549 HG13 ILE 75 2HG1 ILE 75 -0.594 -4.119 -6.870 550 HG21 ILE 75 1HG2 ILE 75 2.107 -4.545 -7.730 551 HG22 ILE 75 2HG2 ILE 75 1.940 -3.798 -9.318 552 HG23 ILE 75 3HG2 ILE 75 2.953 -3.040 -8.089 553 HD11 ILE 75 1HD1 ILE 75 -2.530 -3.494 -8.100 554 HD12 ILE 75 2HD1 ILE 75 -1.745 -2.015 -7.543 555 HD13 ILE 75 3HD1 ILE 75 -1.573 -2.526 -9.222 556 H LEU 76 H LEU 76 3.322 -2.547 -5.143 557 HA LEU 76 HA LEU 76 4.217 0.151 -5.884 558 HB2 LEU 76 1HB LEU 76 5.372 -1.680 -3.792 559 HB3 LEU 76 2HB LEU 76 5.756 0.021 -4.045 560 HG LEU 76 HG LEU 76 2.985 -0.845 -3.287 561 HD11 LEU 76 1HD1 LEU 76 5.408 -0.653 -1.566 562 HD12 LEU 76 2HD1 LEU 76 4.047 -1.771 -1.481 563 HD13 LEU 76 3HD1 LEU 76 3.857 -0.107 -0.928 564 HD21 LEU 76 1HD2 LEU 76 4.174 1.598 -3.942 565 HD22 LEU 76 2HD2 LEU 76 3.973 1.626 -2.190 566 HD23 LEU 76 3HD2 LEU 76 2.580 1.338 -3.235 567 H HIS 77 H HIS 77 5.134 -0.090 -7.868 568 HA HIS 77 HA HIS 77 6.927 -2.286 -8.431 569 HB2 HIS 77 1HB HIS 77 6.697 0.081 -10.236 570 HB3 HIS 77 2HB HIS 77 6.840 -1.627 -10.641 571 HD1 HIS 77 1HD HIS 77 4.727 -2.816 -11.225 572 HD2 HIS 77 2HD HIS 77 4.021 0.802 -9.309 573 HE1 HIS 77 1HE HIS 77 2.238 -2.472 -11.334 574 HE2 HIS 77 2HE HIS 77 1.844 -0.235 -10.244 575 H ALA 78 H ALA 78 9.099 -2.259 -8.380 576 HA ALA 78 HA ALA 78 11.250 -1.504 -8.192 577 HB1 ALA 78 1HB ALA 78 9.895 0.701 -9.349 578 HB2 ALA 78 2HB ALA 78 10.976 1.322 -8.100 579 HB3 ALA 78 3HB ALA 78 11.616 0.318 -9.401 580 H VAL 79 H VAL 79 10.157 -2.313 -5.947 581 HA VAL 79 HA VAL 79 10.043 -0.343 -3.880 582 HB VAL 79 HB VAL 79 10.048 -2.299 -2.333 583 HG11 VAL 79 1HG1 VAL 79 7.842 -2.584 -2.658 584 HG12 VAL 79 2HG1 VAL 79 8.056 -1.378 -3.928 585 HG13 VAL 79 3HG1 VAL 79 8.050 -3.095 -4.333 586 HG21 VAL 79 1HG2 VAL 79 11.090 -4.130 -3.085 587 HG22 VAL 79 2HG2 VAL 79 9.595 -4.464 -3.960 588 HG23 VAL 79 3HG2 VAL 79 10.926 -3.640 -4.771 589 H LYS 80 H LYS 80 11.500 -0.062 -2.140 590 HA LYS 80 HA LYS 80 14.289 -0.570 -2.888 591 HB2 LYS 80 1HB LYS 80 13.291 1.260 -0.707 592 HB3 LYS 80 2HB LYS 80 14.888 1.238 -1.443 593 HG2 LYS 80 1HG LYS 80 12.320 2.040 -2.796 594 HG3 LYS 80 2HG LYS 80 13.595 3.126 -2.239 595 HD2 LYS 80 1HD LYS 80 14.091 0.937 -4.243 596 HD3 LYS 80 2HD LYS 80 13.582 2.559 -4.716 597 HE2 LYS 80 1HE LYS 80 15.815 2.903 -4.824 598 HE3 LYS 80 2HE LYS 80 15.620 3.191 -3.096 599 HZ1 LYS 80 1HZ LYS 80 16.132 0.781 -2.778 600 HZ2 LYS 80 2HZ LYS 80 17.422 1.706 -3.363 601 HZ3 LYS 80 3HZ LYS 80 16.554 0.706 -4.415 602 H HIS 81 H HIS 81 15.782 -1.430 -1.411 603 HA HIS 81 HA HIS 81 14.676 -3.398 0.366 604 HB2 HIS 81 1HB HIS 81 16.596 -4.083 -0.848 605 HB3 HIS 81 2HB HIS 81 17.492 -2.637 -0.395 606 HD1 HIS 81 1HD HIS 81 15.890 -5.559 1.459 607 HD2 HIS 81 2HD HIS 81 19.280 -3.160 1.551 608 HE1 HIS 81 1HE HIS 81 17.292 -6.448 3.348 609 HE2 HIS 81 2HE HIS 81 19.297 -4.928 3.439 610 H GLN 82 H GLN 82 16.240 -0.284 0.677 611 HA GLN 82 HA GLN 82 17.020 -0.280 3.316 612 HB2 GLN 82 1HB GLN 82 16.616 2.164 3.279 613 HB3 GLN 82 2HB GLN 82 17.483 1.594 1.859 614 HG2 GLN 82 1HG GLN 82 15.550 1.782 0.498 615 HG3 GLN 82 2HG GLN 82 14.515 2.057 1.898 616 HE21 GLN 82 1HE2 GLN 82 15.041 4.020 3.188 617 HE22 GLN 82 2HE2 GLN 82 15.510 5.441 2.325 618 H ASP 83 H ASP 83 13.791 -0.038 1.985 619 HA ASP 83 HA ASP 83 12.594 0.599 4.541 620 HB2 ASP 83 1HB ASP 83 11.450 -0.003 1.814 621 HB3 ASP 83 2HB ASP 83 10.437 0.252 3.232 622 H SER 84 H SER 84 14.113 -1.985 3.929 623 HA SER 84 HA SER 84 12.558 -4.218 3.802 624 HB2 SER 84 1HB SER 84 14.271 -5.371 5.130 625 HB3 SER 84 2HB SER 84 15.016 -4.271 3.971 626 HG SER 84 HG SER 84 16.015 -3.562 5.684 627 H GLY 85 H GLY 85 10.692 -4.597 4.807 628 HA2 GLY 85 1HA GLY 85 9.574 -5.384 6.766 629 HA3 GLY 85 2HA GLY 85 10.639 -4.379 7.738 630 H ALA 86 H ALA 86 8.793 -3.450 4.865 631 HA ALA 86 HA ALA 86 7.827 -1.081 6.090 632 HB1 ALA 86 1HB ALA 86 6.331 -2.031 3.760 633 HB2 ALA 86 2HB ALA 86 7.183 -0.509 4.021 634 HB3 ALA 86 3HB ALA 86 8.076 -1.943 3.518 635 H LEU 87 H LEU 87 5.417 -0.558 6.068 636 HA LEU 87 HA LEU 87 3.856 -2.847 7.059 637 HB2 LEU 87 1HB LEU 87 4.817 -1.067 8.753 638 HB3 LEU 87 2HB LEU 87 3.421 -0.137 8.210 639 HG LEU 87 HG LEU 87 2.779 -1.225 10.208 640 HD11 LEU 87 1HD1 LEU 87 0.877 -2.394 9.533 641 HD12 LEU 87 2HD1 LEU 87 1.675 -3.056 8.106 642 HD13 LEU 87 3HD1 LEU 87 1.242 -1.347 8.162 643 HD21 LEU 87 1HD2 LEU 87 3.544 -3.201 10.911 644 HD22 LEU 87 2HD2 LEU 87 4.671 -3.108 9.557 645 HD23 LEU 87 3HD2 LEU 87 3.155 -3.994 9.384 646 H VAL 88 H VAL 88 2.638 -3.092 5.222 647 HA VAL 88 HA VAL 88 1.193 -0.771 4.179 648 HB VAL 88 HB VAL 88 1.171 -3.577 3.071 649 HG11 VAL 88 1HG1 VAL 88 0.095 -2.737 1.243 650 HG12 VAL 88 2HG1 VAL 88 -0.531 -1.640 2.475 651 HG13 VAL 88 3HG1 VAL 88 0.795 -1.130 1.430 652 HG21 VAL 88 1HG2 VAL 88 3.313 -3.278 2.533 653 HG22 VAL 88 2HG2 VAL 88 2.762 -2.030 1.415 654 HG23 VAL 88 3HG2 VAL 88 3.283 -1.590 3.041 655 H GLY 89 H GLY 89 -0.626 -0.333 5.263 656 HA2 GLY 89 1HA GLY 89 -2.489 -2.570 5.744 657 HA3 GLY 89 2HA GLY 89 -2.195 -1.360 6.983 658 H PHE 90 H PHE 90 -4.704 -2.073 5.690 659 HA PHE 90 HA PHE 90 -5.309 0.428 4.264 660 HB2 PHE 90 1HB PHE 90 -5.963 -1.288 2.833 661 HB3 PHE 90 2HB PHE 90 -6.496 -2.322 4.155 662 HD1 PHE 90 2HD PHE 90 -7.385 0.489 1.987 663 HD2 PHE 90 1HD PHE 90 -8.694 -2.097 5.104 664 HE1 PHE 90 2HE PHE 90 -9.702 1.235 1.628 665 HE2 PHE 90 1HE PHE 90 -11.013 -1.356 4.749 666 HZ PHE 90 HZ PHE 90 -11.520 0.312 3.010 667 H SER 91 H SER 91 -5.972 1.908 5.692 668 HA SER 91 HA SER 91 -7.639 1.115 7.951 669 HB2 SER 91 1HB SER 91 -7.316 3.470 8.696 670 HB3 SER 91 2HB SER 91 -5.795 2.614 8.451 671 HG SER 91 HG SER 91 -7.021 4.472 6.692 672 H CYS 92 H CYS 92 -9.771 1.404 8.026 673 HA CYS 92 HA CYS 92 -11.050 3.438 6.391 674 HB2 CYS 92 1HB CYS 92 -12.270 2.068 5.023 675 HB3 CYS 92 2HB CYS 92 -10.845 1.054 5.216 676 HG CYS 92 HG CYS 92 -13.675 0.708 7.107 677 HA PRO 93 HA PRO 93 -13.793 3.757 9.798 678 HB2 PRO 93 1HB PRO 93 -16.104 4.495 8.580 679 HB3 PRO 93 2HB PRO 93 -14.716 5.578 8.743 680 HG2 PRO 93 1HG PRO 93 -15.575 3.941 6.388 681 HG3 PRO 93 2HG PRO 93 -14.990 5.615 6.434 682 HD2 PRO 93 1HD PRO 93 -13.406 3.536 5.724 683 HD3 PRO 93 2HD PRO 93 -12.780 4.971 6.562 684 H GLY 94 H GLY 94 -13.659 1.366 10.117 685 HA2 GLY 94 1HA GLY 94 -15.809 0.091 10.899 686 HA3 GLY 94 2HA GLY 94 -16.010 -0.101 9.164 687 H VAL 95 H VAL 95 -12.891 -0.148 9.158 688 HA VAL 95 HA VAL 95 -12.460 -2.825 10.246 689 HB VAL 95 HB VAL 95 -12.081 -2.123 7.335 690 HG11 VAL 95 1HG1 VAL 95 -10.134 -3.347 8.220 691 HG12 VAL 95 2HG1 VAL 95 -11.213 -4.629 8.772 692 HG13 VAL 95 3HG1 VAL 95 -11.049 -4.294 7.048 693 HG21 VAL 95 1HG2 VAL 95 -14.243 -2.855 7.448 694 HG22 VAL 95 2HG2 VAL 95 -13.418 -4.404 7.270 695 HG23 VAL 95 3HG2 VAL 95 -13.945 -3.864 8.864 696 H GLN 96 H GLN 96 -10.312 -3.313 10.683 697 HA GLN 96 HA GLN 96 -8.270 -1.348 9.991 698 HB2 GLN 96 1HB GLN 96 -9.002 -0.476 12.084 699 HB3 GLN 96 2HB GLN 96 -9.054 -2.077 12.809 700 HG2 GLN 96 1HG GLN 96 -6.500 -2.085 12.277 701 HG3 GLN 96 2HG GLN 96 -6.710 -0.335 12.226 702 HE21 GLN 96 1HE2 GLN 96 -7.773 0.636 14.135 703 HE22 GLN 96 2HE2 GLN 96 -7.409 -0.025 15.688 704 H ASP 97 H ASP 97 -6.892 -2.633 8.934 705 HA ASP 97 HA ASP 97 -5.591 -4.768 10.390 706 HB2 ASP 97 1HB ASP 97 -7.697 -5.628 9.029 707 HB3 ASP 97 2HB ASP 97 -6.568 -5.549 7.679 708 H SER 98 H SER 98 -3.685 -5.599 9.236 709 HA SER 98 HA SER 98 -2.745 -4.119 6.941 710 HB2 SER 98 1HB SER 98 -1.190 -3.890 9.525 711 HB3 SER 98 2HB SER 98 -0.832 -3.104 7.987 712 HG SER 98 HG SER 98 -1.861 -1.590 9.195 713 H ALA 99 H ALA 99 -0.404 -4.790 6.441 714 HA ALA 99 HA ALA 99 0.087 -7.559 7.302 715 HB1 ALA 99 1HB ALA 99 -0.922 -6.919 4.825 716 HB2 ALA 99 2HB ALA 99 0.809 -7.076 4.524 717 HB3 ALA 99 3HB ALA 99 -0.086 -8.413 5.247 718 H ALA 100 H ALA 100 2.338 -8.233 6.209 719 HA ALA 100 HA ALA 100 4.226 -6.069 6.873 720 HB1 ALA 100 1HB ALA 100 3.981 -8.648 7.972 721 HB2 ALA 100 2HB ALA 100 5.460 -8.644 7.011 722 HB3 ALA 100 3HB ALA 100 5.234 -7.448 8.287 723 H LEU 101 H LEU 101 5.701 -5.488 5.395 724 HA LEU 101 HA LEU 101 5.859 -7.089 2.928 725 HB2 LEU 101 1HB LEU 101 4.969 -5.016 2.338 726 HB3 LEU 101 2HB LEU 101 6.029 -4.143 3.443 727 HG LEU 101 HG LEU 101 7.939 -4.770 1.915 728 HD11 LEU 101 1HD1 LEU 101 5.848 -5.276 -0.163 729 HD12 LEU 101 2HD1 LEU 101 6.481 -6.598 0.817 730 HD13 LEU 101 3HD1 LEU 101 7.571 -5.651 -0.195 731 HD21 LEU 101 1HD2 LEU 101 7.382 -3.025 0.266 732 HD22 LEU 101 2HD2 LEU 101 7.009 -2.538 1.920 733 HD23 LEU 101 3HD2 LEU 101 5.713 -3.046 0.835 734 H THR 102 H THR 102 7.614 -8.348 3.099 735 HA THR 102 HA THR 102 10.057 -7.304 4.300 736 HB THR 102 HB THR 102 9.240 -10.056 3.384 737 HG1 THR 102 1HG THR 102 9.623 -8.731 5.822 738 HG21 THR 102 1HG2 THR 102 11.391 -10.495 2.950 739 HG22 THR 102 2HG2 THR 102 11.668 -10.329 4.684 740 HG23 THR 102 3HG2 THR 102 11.919 -8.950 3.615 741 H ILE 103 H ILE 103 11.886 -6.822 3.206 742 HA ILE 103 HA ILE 103 11.969 -7.388 0.321 743 HB ILE 103 HB ILE 103 12.819 -4.759 1.535 744 HG12 ILE 103 1HG1 ILE 103 10.395 -5.279 -0.192 745 HG13 ILE 103 2HG1 ILE 103 10.327 -5.184 1.565 746 HG21 ILE 103 1HG2 ILE 103 14.089 -5.230 -0.417 747 HG22 ILE 103 2HG2 ILE 103 12.659 -5.774 -1.293 748 HG23 ILE 103 3HG2 ILE 103 12.845 -4.069 -0.882 749 HD11 ILE 103 1HD1 ILE 103 9.760 -3.051 1.010 750 HD12 ILE 103 2HD1 ILE 103 11.510 -2.876 1.150 751 HD13 ILE 103 3HD1 ILE 103 10.765 -3.041 -0.439 752 H GLN 104 H GLN 104 13.763 -8.424 -0.223 753 HA GLN 104 HA GLN 104 16.115 -8.177 1.529 754 HB2 GLN 104 1HB GLN 104 15.332 -10.446 -0.307 755 HB3 GLN 104 2HB GLN 104 16.786 -10.393 0.680 756 HG2 GLN 104 1HG GLN 104 14.041 -10.199 1.871 757 HG3 GLN 104 2HG GLN 104 14.828 -11.745 1.558 758 HE21 GLN 104 1HE2 GLN 104 14.030 -10.751 4.096 759 HE22 GLN 104 2HE2 GLN 104 15.455 -10.571 5.057 760 H GLU 105 H GLU 105 18.234 -8.452 0.429 761 HA GLU 105 HA GLU 105 18.310 -6.759 -1.925 762 HB2 GLU 105 1HB GLU 105 20.407 -7.844 -0.061 763 HB3 GLU 105 2HB GLU 105 20.844 -7.051 -1.567 764 HG2 GLU 105 1HG GLU 105 19.442 -5.092 -0.762 765 HG3 GLU 105 2HG GLU 105 19.442 -5.884 0.812 766 H SER 106 H SER 106 18.856 -7.370 -3.948 767 HA SER 106 HA SER 106 18.476 -9.954 -4.834 768 HB2 SER 106 1HB SER 106 19.887 -7.585 -6.024 769 HB3 SER 106 2HB SER 106 19.892 -9.134 -6.868 770 HG SER 106 HG SER 106 17.892 -7.308 -6.605 771 H SER 107 H SER 107 21.602 -8.304 -4.371 772 HA SER 107 HA SER 107 23.211 -10.526 -4.969 773 HB2 SER 107 1HB SER 107 25.033 -9.278 -3.984 774 HB3 SER 107 2HB SER 107 24.000 -8.153 -4.866 775 HG SER 107 HG SER 107 24.148 -7.134 -3.001 776 H GLY 108 H GLY 108 24.828 -11.375 -3.219 777 HA2 GLY 108 1HA GLY 108 25.197 -12.402 -1.161 778 HA3 GLY 108 2HA GLY 108 23.643 -11.793 -0.609 779 HA PRO 109 HA PRO 109 23.014 -16.290 -1.039 780 HB2 PRO 109 1HB PRO 109 21.150 -16.425 0.929 781 HB3 PRO 109 2HB PRO 109 22.888 -16.453 1.249 782 HG2 PRO 109 1HG PRO 109 20.964 -14.167 1.436 783 HG3 PRO 109 2HG PRO 109 22.266 -14.627 2.549 784 HD2 PRO 109 1HD PRO 109 22.533 -12.630 0.740 785 HD3 PRO 109 2HD PRO 109 23.896 -13.649 1.245 786 H SER 110 H SER 110 20.861 -17.514 -1.206 787 HA SER 110 HA SER 110 18.632 -15.930 -2.176 788 HB2 SER 110 1HB SER 110 20.329 -17.652 -3.963 789 HB3 SER 110 2HB SER 110 18.618 -17.408 -4.315 790 HG SER 110 HG SER 110 19.270 -15.051 -4.000 791 H SER 111 H SER 111 16.991 -16.792 -1.099 792 HA SER 111 HA SER 111 16.889 -19.720 -0.791 793 HB2 SER 111 1HB SER 111 17.001 -18.159 1.282 794 HB3 SER 111 2HB SER 111 15.313 -17.806 0.912 795 HG SER 111 HG SER 111 15.444 -19.535 2.357 796 H GLY 112 H GLY 112 14.811 -20.749 -0.940 797 HA2 GLY 112 1HA GLY 112 12.445 -19.460 -1.724 798 HA3 GLY 112 2HA GLY 112 13.313 -19.933 -3.177 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -20.238 14.674 18.970 2 HA2 GLY 1 1HA GLY 1 -22.124 13.910 17.810 3 HA3 GLY 1 2HA GLY 1 -22.300 15.650 17.638 4 H SER 2 H SER 2 -21.121 12.724 16.081 5 HA SER 2 HA SER 2 -20.311 13.839 13.647 6 HB2 SER 2 1HB SER 2 -19.973 11.444 14.504 7 HB3 SER 2 2HB SER 2 -21.593 11.119 13.887 8 HG SER 2 HG SER 2 -19.281 11.882 12.454 9 H SER 3 H SER 3 -21.362 13.863 11.589 10 HA SER 3 HA SER 3 -24.263 14.301 11.813 11 HB2 SER 3 1HB SER 3 -24.099 15.864 10.013 12 HB3 SER 3 2HB SER 3 -22.783 16.241 11.124 13 HG SER 3 HG SER 3 -21.344 15.482 9.712 14 H GLY 4 H GLY 4 -25.550 12.858 10.888 15 HA2 GLY 4 1HA GLY 4 -26.318 11.191 9.509 16 HA3 GLY 4 2HA GLY 4 -25.226 11.840 8.294 17 H SER 5 H SER 5 -25.767 9.359 10.615 18 HA SER 5 HA SER 5 -23.134 8.303 10.712 19 HB2 SER 5 1HB SER 5 -25.717 6.791 11.152 20 HB3 SER 5 2HB SER 5 -24.120 6.379 11.776 21 HG SER 5 HG SER 5 -25.705 7.551 13.199 22 H SER 6 H SER 6 -22.076 7.539 9.012 23 HA SER 6 HA SER 6 -22.993 5.354 7.492 24 HB2 SER 6 1HB SER 6 -24.414 7.146 6.473 25 HB3 SER 6 2HB SER 6 -22.938 7.962 5.956 26 HG SER 6 HG SER 6 -24.213 5.828 4.856 27 H GLY 7 H GLY 7 -21.476 4.844 5.658 28 HA2 GLY 7 1HA GLY 7 -19.360 4.955 4.643 29 HA3 GLY 7 2HA GLY 7 -18.895 6.193 5.800 30 H THR 8 H THR 8 -19.930 2.780 5.884 31 HA THR 8 HA THR 8 -17.485 2.077 7.289 32 HB THR 8 HB THR 8 -18.715 0.893 9.099 33 HG1 THR 8 1HG THR 8 -20.799 1.290 7.663 34 HG21 THR 8 1HG2 THR 8 -18.699 2.714 10.478 35 HG22 THR 8 2HG2 THR 8 -19.587 3.723 9.336 36 HG23 THR 8 3HG2 THR 8 -17.868 3.416 9.090 37 H ALA 9 H ALA 9 -16.985 -0.128 7.202 38 HA ALA 9 HA ALA 9 -18.851 -1.955 5.930 39 HB1 ALA 9 1HB ALA 9 -17.983 -1.916 3.891 40 HB2 ALA 9 2HB ALA 9 -16.933 -0.587 4.385 41 HB3 ALA 9 3HB ALA 9 -16.376 -2.254 4.536 42 H ARG 10 H ARG 10 -17.486 -4.125 5.488 43 HA ARG 10 HA ARG 10 -15.934 -4.627 7.943 44 HB2 ARG 10 1HB ARG 10 -18.025 -6.303 6.577 45 HB3 ARG 10 2HB ARG 10 -16.833 -7.028 7.647 46 HG2 ARG 10 1HG ARG 10 -17.594 -5.535 9.456 47 HG3 ARG 10 2HG ARG 10 -18.838 -4.905 8.375 48 HD2 ARG 10 1HD ARG 10 -18.577 -7.831 9.012 49 HD3 ARG 10 2HD ARG 10 -19.541 -6.732 9.996 50 HE ARG 10 HE ARG 10 -20.232 -6.558 7.240 51 HH11 ARG 10 2HH1 ARG 10 -20.660 -8.485 10.108 52 HH12 ARG 10 1HH1 ARG 10 -22.186 -9.132 9.603 53 HH21 ARG 10 2HH2 ARG 10 -22.240 -7.403 6.564 54 HH22 ARG 10 1HH2 ARG 10 -23.084 -8.516 7.587 55 H LEU 11 H LEU 11 -14.628 -6.744 7.711 56 HA LEU 11 HA LEU 11 -13.198 -6.601 5.148 57 HB2 LEU 11 1HB LEU 11 -11.929 -6.095 7.212 58 HB3 LEU 11 2HB LEU 11 -12.266 -7.727 7.784 59 HG LEU 11 HG LEU 11 -10.980 -8.628 5.877 60 HD11 LEU 11 1HD1 LEU 11 -10.936 -7.172 4.140 61 HD12 LEU 11 2HD1 LEU 11 -9.411 -6.714 4.897 62 HD13 LEU 11 3HD1 LEU 11 -10.861 -5.752 5.183 63 HD21 LEU 11 1HD2 LEU 11 -9.769 -8.485 7.876 64 HD22 LEU 11 2HD2 LEU 11 -9.667 -6.726 7.795 65 HD23 LEU 11 3HD2 LEU 11 -8.731 -7.717 6.675 66 H VAL 12 H VAL 12 -12.960 -8.356 3.869 67 HA VAL 12 HA VAL 12 -14.193 -10.867 4.801 68 HB VAL 12 HB VAL 12 -14.299 -11.192 2.151 69 HG11 VAL 12 1HG1 VAL 12 -16.102 -10.821 4.162 70 HG12 VAL 12 2HG1 VAL 12 -16.504 -9.497 3.067 71 HG13 VAL 12 3HG1 VAL 12 -16.516 -11.162 2.483 72 HG21 VAL 12 1HG2 VAL 12 -14.755 -8.231 2.454 73 HG22 VAL 12 2HG2 VAL 12 -13.260 -8.922 1.822 74 HG23 VAL 12 3HG2 VAL 12 -14.782 -9.185 0.971 75 H ALA 13 H ALA 13 -11.594 -9.450 2.872 76 HA ALA 13 HA ALA 13 -10.044 -11.911 3.287 77 HB1 ALA 13 1HB ALA 13 -9.499 -12.194 1.094 78 HB2 ALA 13 2HB ALA 13 -11.108 -11.497 0.897 79 HB3 ALA 13 3HB ALA 13 -9.678 -10.481 0.712 80 H GLY 14 H GLY 14 -9.129 -10.605 5.031 81 HA2 GLY 14 1HA GLY 14 -7.905 -8.175 4.897 82 HA3 GLY 14 2HA GLY 14 -7.270 -9.510 5.847 83 H LEU 15 H LEU 15 -5.536 -7.674 4.850 84 HA LEU 15 HA LEU 15 -4.487 -8.220 2.303 85 HB2 LEU 15 1HB LEU 15 -3.156 -7.127 4.775 86 HB3 LEU 15 2HB LEU 15 -2.416 -7.147 3.176 87 HG LEU 15 HG LEU 15 -5.046 -5.790 3.501 88 HD11 LEU 15 1HD1 LEU 15 -3.380 -3.724 3.915 89 HD12 LEU 15 2HD1 LEU 15 -2.534 -4.982 4.815 90 HD13 LEU 15 3HD1 LEU 15 -4.206 -4.587 5.213 91 HD21 LEU 15 1HD2 LEU 15 -4.558 -5.195 1.422 92 HD22 LEU 15 2HD2 LEU 15 -3.004 -6.024 1.528 93 HD23 LEU 15 3HD2 LEU 15 -3.137 -4.332 2.011 94 H GLU 16 H GLU 16 -2.285 -9.141 1.901 95 HA GLU 16 HA GLU 16 -1.768 -11.478 3.617 96 HB2 GLU 16 1HB GLU 16 -1.221 -12.771 1.584 97 HB3 GLU 16 2HB GLU 16 -2.901 -12.257 1.622 98 HG2 GLU 16 1HG GLU 16 -2.550 -10.615 -0.018 99 HG3 GLU 16 2HG GLU 16 -0.798 -10.712 0.146 100 H ASP 17 H ASP 17 0.365 -12.072 3.899 101 HA ASP 17 HA ASP 17 2.300 -10.064 3.841 102 HB2 ASP 17 1HB ASP 17 3.899 -12.142 4.062 103 HB3 ASP 17 2HB ASP 17 2.795 -11.724 5.369 104 H VAL 18 H VAL 18 3.829 -9.444 2.413 105 HA VAL 18 HA VAL 18 4.076 -10.977 -0.090 106 HB VAL 18 HB VAL 18 3.877 -7.976 0.179 107 HG11 VAL 18 1HG1 VAL 18 4.410 -9.624 -2.291 108 HG12 VAL 18 2HG1 VAL 18 4.199 -7.873 -2.228 109 HG13 VAL 18 3HG1 VAL 18 5.595 -8.623 -1.452 110 HG21 VAL 18 1HG2 VAL 18 1.708 -8.940 0.225 111 HG22 VAL 18 2HG2 VAL 18 1.954 -8.331 -1.412 112 HG23 VAL 18 3HG2 VAL 18 2.103 -10.057 -1.082 113 H GLN 19 H GLN 19 6.102 -11.400 -0.712 114 HA GLN 19 HA GLN 19 8.290 -9.807 0.434 115 HB2 GLN 19 1HB GLN 19 9.460 -11.638 1.187 116 HB3 GLN 19 2HB GLN 19 7.810 -12.175 1.477 117 HG2 GLN 19 1HG GLN 19 7.909 -13.318 -0.762 118 HG3 GLN 19 2HG GLN 19 9.635 -12.957 -0.777 119 HE21 GLN 19 1HE2 GLN 19 10.537 -14.899 -0.530 120 HE22 GLN 19 2HE2 GLN 19 10.231 -15.978 0.784 121 H VAL 20 H VAL 20 9.500 -8.959 -1.113 122 HA VAL 20 HA VAL 20 10.003 -10.510 -3.552 123 HB VAL 20 HB VAL 20 9.725 -8.497 -4.946 124 HG11 VAL 20 1HG1 VAL 20 7.471 -9.688 -3.420 125 HG12 VAL 20 2HG1 VAL 20 7.130 -8.307 -4.465 126 HG13 VAL 20 3HG1 VAL 20 7.842 -9.773 -5.142 127 HG21 VAL 20 1HG2 VAL 20 8.443 -6.578 -3.954 128 HG22 VAL 20 2HG2 VAL 20 8.768 -7.270 -2.365 129 HG23 VAL 20 3HG2 VAL 20 10.105 -6.738 -3.386 130 H TYR 21 H TYR 21 11.894 -9.825 -4.734 131 HA TYR 21 HA TYR 21 14.013 -9.001 -2.965 132 HB2 TYR 21 1HB TYR 21 13.880 -9.983 -5.797 133 HB3 TYR 21 2HB TYR 21 15.361 -9.254 -5.185 134 HD1 TYR 21 1HD TYR 21 12.867 -11.877 -4.252 135 HD2 TYR 21 2HD TYR 21 16.935 -10.630 -4.201 136 HE1 TYR 21 1HE TYR 21 13.510 -14.034 -3.258 137 HE2 TYR 21 2HE TYR 21 17.589 -12.783 -3.208 138 HH TYR 21 HH TYR 21 16.654 -14.602 -1.978 139 H ASP 22 H ASP 22 15.552 -7.307 -3.511 140 HA ASP 22 HA ASP 22 14.458 -4.808 -3.765 141 HB2 ASP 22 1HB ASP 22 16.623 -4.701 -3.007 142 HB3 ASP 22 2HB ASP 22 17.198 -5.905 -4.157 143 H GLY 23 H GLY 23 14.122 -3.334 -5.410 144 HA2 GLY 23 1HA GLY 23 13.975 -2.547 -7.595 145 HA3 GLY 23 2HA GLY 23 14.763 -4.017 -8.149 146 H GLU 24 H GLU 24 12.880 -5.780 -6.783 147 HA GLU 24 HA GLU 24 11.040 -6.180 -8.837 148 HB2 GLU 24 1HB GLU 24 10.884 -7.083 -5.956 149 HB3 GLU 24 2HB GLU 24 9.895 -7.715 -7.264 150 HG2 GLU 24 1HG GLU 24 12.872 -7.964 -6.942 151 HG3 GLU 24 2HG GLU 24 11.669 -9.249 -6.856 152 H ASP 25 H ASP 25 8.551 -6.477 -8.000 153 HA ASP 25 HA ASP 25 7.727 -3.826 -7.011 154 HB2 ASP 25 1HB ASP 25 6.133 -5.417 -9.011 155 HB3 ASP 25 2HB ASP 25 5.982 -3.711 -8.598 156 H ALA 26 H ALA 26 6.748 -4.003 -5.116 157 HA ALA 26 HA ALA 26 5.396 -6.504 -4.417 158 HB1 ALA 26 1HB ALA 26 6.723 -6.064 -2.629 159 HB2 ALA 26 2HB ALA 26 6.671 -4.318 -2.877 160 HB3 ALA 26 3HB ALA 26 5.303 -5.144 -2.130 161 H VAL 27 H VAL 27 3.255 -6.665 -4.431 162 HA VAL 27 HA VAL 27 1.651 -4.200 -4.250 163 HB VAL 27 HB VAL 27 1.276 -4.653 -6.461 164 HG11 VAL 27 1HG1 VAL 27 1.382 -7.619 -5.933 165 HG12 VAL 27 2HG1 VAL 27 1.329 -6.820 -7.505 166 HG13 VAL 27 3HG1 VAL 27 2.751 -6.648 -6.474 167 HG21 VAL 27 1HG2 VAL 27 -0.699 -6.643 -5.393 168 HG22 VAL 27 2HG2 VAL 27 -0.839 -4.922 -5.037 169 HG23 VAL 27 3HG2 VAL 27 -0.898 -5.484 -6.707 170 H PHE 28 H PHE 28 -0.319 -4.350 -3.174 171 HA PHE 28 HA PHE 28 -0.809 -6.881 -1.750 172 HB2 PHE 28 1HB PHE 28 -0.865 -4.062 -0.675 173 HB3 PHE 28 2HB PHE 28 -1.647 -5.404 0.153 174 HD1 PHE 28 1HD PHE 28 -0.267 -7.306 0.979 175 HD2 PHE 28 2HD PHE 28 1.463 -3.727 -0.543 176 HE1 PHE 28 1HE PHE 28 1.865 -7.878 2.067 177 HE2 PHE 28 2HE PHE 28 3.598 -4.293 0.542 178 HZ PHE 28 HZ PHE 28 3.801 -6.371 1.848 179 H SER 29 H SER 29 -2.964 -7.413 -1.320 180 HA SER 29 HA SER 29 -5.021 -5.697 -2.515 181 HB2 SER 29 1HB SER 29 -4.798 -7.160 -4.303 182 HB3 SER 29 2HB SER 29 -4.363 -8.521 -3.270 183 HG SER 29 HG SER 29 -6.384 -9.050 -3.283 184 H LEU 30 H LEU 30 -7.151 -6.068 -1.725 185 HA LEU 30 HA LEU 30 -7.606 -7.968 0.384 186 HB2 LEU 30 1HB LEU 30 -8.019 -6.417 2.154 187 HB3 LEU 30 2HB LEU 30 -6.389 -6.149 1.540 188 HG LEU 30 HG LEU 30 -7.671 -4.294 0.113 189 HD11 LEU 30 1HD1 LEU 30 -9.864 -4.536 0.837 190 HD12 LEU 30 2HD1 LEU 30 -9.263 -3.200 1.818 191 HD13 LEU 30 3HD1 LEU 30 -9.387 -4.817 2.511 192 HD21 LEU 30 1HD2 LEU 30 -6.537 -4.197 2.883 193 HD22 LEU 30 2HD2 LEU 30 -7.159 -2.738 2.111 194 HD23 LEU 30 3HD2 LEU 30 -5.834 -3.633 1.367 195 H ASP 31 H ASP 31 -9.767 -8.321 0.764 196 HA ASP 31 HA ASP 31 -11.605 -6.869 -1.011 197 HB2 ASP 31 1HB ASP 31 -11.797 -9.611 0.248 198 HB3 ASP 31 2HB ASP 31 -13.105 -8.856 -0.659 199 H LEU 32 H LEU 32 -13.789 -6.452 -0.224 200 HA LEU 32 HA LEU 32 -13.994 -6.214 2.694 201 HB2 LEU 32 1HB LEU 32 -14.710 -4.020 0.755 202 HB3 LEU 32 2HB LEU 32 -14.871 -3.964 2.509 203 HG LEU 32 HG LEU 32 -12.284 -4.066 0.957 204 HD11 LEU 32 1HD1 LEU 32 -12.665 -1.809 2.702 205 HD12 LEU 32 2HD1 LEU 32 -13.967 -1.913 1.518 206 HD13 LEU 32 3HD1 LEU 32 -12.289 -1.848 0.980 207 HD21 LEU 32 1HD2 LEU 32 -11.721 -3.348 3.552 208 HD22 LEU 32 2HD2 LEU 32 -11.447 -4.936 2.835 209 HD23 LEU 32 3HD2 LEU 32 -12.927 -4.621 3.742 210 H SER 33 H SER 33 -16.362 -5.273 3.147 211 HA SER 33 HA SER 33 -18.147 -7.234 1.966 212 HB2 SER 33 1HB SER 33 -18.141 -6.895 4.411 213 HB3 SER 33 2HB SER 33 -18.648 -5.222 4.175 214 HG SER 33 HG SER 33 -20.217 -7.247 4.463 215 H THR 34 H THR 34 -17.657 -3.768 1.994 216 HA THR 34 HA THR 34 -19.331 -3.470 -0.332 217 HB THR 34 HB THR 34 -21.065 -3.306 1.345 218 HG1 THR 34 1HG THR 34 -21.785 -1.197 0.831 219 HG21 THR 34 1HG2 THR 34 -19.355 -1.160 2.609 220 HG22 THR 34 2HG2 THR 34 -19.690 -2.755 3.282 221 HG23 THR 34 3HG2 THR 34 -20.995 -1.583 3.099 222 H ILE 35 H ILE 35 -19.472 -1.010 -0.887 223 HA ILE 35 HA ILE 35 -16.855 -0.071 -1.246 224 HB ILE 35 HB ILE 35 -19.441 1.478 -1.437 225 HG12 ILE 35 1HG1 ILE 35 -17.936 0.497 -3.814 226 HG13 ILE 35 2HG1 ILE 35 -18.865 -0.680 -2.893 227 HG21 ILE 35 1HG2 ILE 35 -16.976 2.181 -2.955 228 HG22 ILE 35 2HG2 ILE 35 -18.320 3.204 -2.450 229 HG23 ILE 35 3HG2 ILE 35 -17.118 2.681 -1.270 230 HD11 ILE 35 1HD1 ILE 35 -20.837 0.877 -3.156 231 HD12 ILE 35 2HD1 ILE 35 -19.860 1.753 -4.335 232 HD13 ILE 35 3HD1 ILE 35 -20.275 0.062 -4.615 233 H ILE 36 H ILE 36 -15.615 1.415 -0.203 234 HA ILE 36 HA ILE 36 -16.648 3.097 1.878 235 HB ILE 36 HB ILE 36 -16.404 0.859 3.012 236 HG12 ILE 36 1HG1 ILE 36 -14.505 2.890 4.170 237 HG13 ILE 36 2HG1 ILE 36 -16.238 3.191 4.096 238 HG21 ILE 36 1HG2 ILE 36 -13.468 1.396 2.579 239 HG22 ILE 36 2HG2 ILE 36 -14.145 0.115 3.584 240 HG23 ILE 36 3HG2 ILE 36 -14.407 0.099 1.840 241 HD11 ILE 36 1HD1 ILE 36 -14.861 0.948 5.552 242 HD12 ILE 36 2HD1 ILE 36 -15.654 2.352 6.266 243 HD13 ILE 36 3HD1 ILE 36 -16.608 1.139 5.413 244 H GLN 37 H GLN 37 -15.232 4.735 2.450 245 HA GLN 37 HA GLN 37 -12.877 4.966 0.730 246 HB2 GLN 37 1HB GLN 37 -14.635 6.772 0.795 247 HB3 GLN 37 2HB GLN 37 -14.135 7.107 2.447 248 HG2 GLN 37 1HG GLN 37 -12.014 7.852 1.769 249 HG3 GLN 37 2HG GLN 37 -12.206 7.174 0.153 250 HE21 GLN 37 1HE2 GLN 37 -12.757 9.858 2.196 251 HE22 GLN 37 2HE2 GLN 37 -13.510 10.884 1.027 252 H GLY 38 H GLY 38 -11.224 3.911 1.718 253 HA2 GLY 38 1HA GLY 38 -10.644 4.635 4.520 254 HA3 GLY 38 2HA GLY 38 -10.129 3.143 3.746 255 H THR 39 H THR 39 -8.033 3.864 4.687 256 HA THR 39 HA THR 39 -6.585 5.447 2.689 257 HB THR 39 HB THR 39 -6.388 5.863 5.677 258 HG1 THR 39 1HG THR 39 -7.368 7.380 3.504 259 HG21 THR 39 1HG2 THR 39 -4.232 6.341 5.289 260 HG22 THR 39 2HG2 THR 39 -4.825 7.778 4.457 261 HG23 THR 39 3HG2 THR 39 -4.456 6.318 3.540 262 H TRP 40 H TRP 40 -4.474 4.818 2.335 263 HA TRP 40 HA TRP 40 -3.774 2.198 3.406 264 HB2 TRP 40 1HB TRP 40 -2.901 3.813 1.040 265 HB3 TRP 40 2HB TRP 40 -1.851 2.534 1.646 266 HD1 TRP 40 HD TRP 40 -5.050 3.104 -0.295 267 HE1 TRP 40 1HE TRP 40 -5.911 0.849 -1.190 268 HE3 TRP 40 3HE TRP 40 -1.910 -0.031 2.246 269 HZ2 TRP 40 2HZ TRP 40 -5.336 -1.895 -0.861 270 HZ3 TRP 40 3HZ TRP 40 -2.132 -2.457 1.899 271 HH2 TRP 40 HH TRP 40 -3.810 -3.367 0.378 272 H PHE 41 H PHE 41 -1.899 1.750 4.521 273 HA PHE 41 HA PHE 41 -0.363 4.090 5.441 274 HB2 PHE 41 1HB PHE 41 -1.514 1.783 6.934 275 HB3 PHE 41 2HB PHE 41 0.035 2.419 7.477 276 HD1 PHE 41 2HD PHE 41 -3.314 3.700 6.438 277 HD2 PHE 41 1HD PHE 41 -0.011 4.029 9.102 278 HE1 PHE 41 2HE PHE 41 -4.481 5.489 7.657 279 HE2 PHE 41 1HE PHE 41 -1.173 5.819 10.326 280 HZ PHE 41 HZ PHE 41 -3.410 6.552 9.604 281 H LEU 42 H LEU 42 1.869 3.700 5.996 282 HA LEU 42 HA LEU 42 3.043 1.250 4.910 283 HB2 LEU 42 1HB LEU 42 3.174 2.700 3.043 284 HB3 LEU 42 2HB LEU 42 3.700 4.053 4.043 285 HG LEU 42 HG LEU 42 5.762 2.443 4.483 286 HD11 LEU 42 1HD1 LEU 42 6.156 0.820 2.980 287 HD12 LEU 42 2HD1 LEU 42 5.449 1.735 1.649 288 HD13 LEU 42 3HD1 LEU 42 4.406 0.855 2.766 289 HD21 LEU 42 1HD2 LEU 42 5.290 4.725 3.014 290 HD22 LEU 42 2HD2 LEU 42 6.048 3.641 1.848 291 HD23 LEU 42 3HD2 LEU 42 6.869 4.022 3.362 292 H ASN 43 H ASN 43 4.154 0.436 6.555 293 HA ASN 43 HA ASN 43 5.531 0.240 8.355 294 HB2 ASN 43 1HB ASN 43 6.770 2.804 7.333 295 HB3 ASN 43 2HB ASN 43 7.529 1.613 8.386 296 HD21 ASN 43 1HD2 ASN 43 9.224 1.297 6.954 297 HD22 ASN 43 2HD2 ASN 43 9.030 0.425 5.475 298 H GLY 44 H GLY 44 3.116 1.286 9.011 299 HA2 GLY 44 1HA GLY 44 2.213 2.167 10.966 300 HA3 GLY 44 2HA GLY 44 3.789 2.836 11.361 301 H GLU 45 H GLU 45 4.087 4.193 8.797 302 HA GLU 45 HA GLU 45 2.702 6.609 9.482 303 HB2 GLU 45 1HB GLU 45 4.731 5.803 7.453 304 HB3 GLU 45 2HB GLU 45 3.794 7.258 7.145 305 HG2 GLU 45 1HG GLU 45 4.544 8.230 9.222 306 HG3 GLU 45 2HG GLU 45 5.403 6.747 9.635 307 H GLU 46 H GLU 46 1.622 7.891 7.660 308 HA GLU 46 HA GLU 46 -0.339 6.123 6.369 309 HB2 GLU 46 1HB GLU 46 -1.278 7.737 7.951 310 HB3 GLU 46 2HB GLU 46 -0.528 9.059 7.067 311 HG2 GLU 46 1HG GLU 46 -1.906 8.074 5.063 312 HG3 GLU 46 2HG GLU 46 -2.892 7.403 6.360 313 H LEU 47 H LEU 47 -0.901 6.396 4.208 314 HA LEU 47 HA LEU 47 1.133 7.763 2.601 315 HB2 LEU 47 1HB LEU 47 -0.837 5.579 1.982 316 HB3 LEU 47 2HB LEU 47 0.079 6.411 0.727 317 HG LEU 47 HG LEU 47 1.430 4.985 3.003 318 HD11 LEU 47 1HD1 LEU 47 0.539 3.858 0.355 319 HD12 LEU 47 2HD1 LEU 47 0.062 3.318 1.964 320 HD13 LEU 47 3HD1 LEU 47 1.723 3.094 1.415 321 HD21 LEU 47 1HD2 LEU 47 3.231 4.839 1.228 322 HD22 LEU 47 2HD2 LEU 47 2.902 6.445 1.878 323 HD23 LEU 47 3HD2 LEU 47 2.271 5.988 0.295 324 H LYS 48 H LYS 48 0.525 9.038 0.780 325 HA LYS 48 HA LYS 48 -2.192 10.164 0.974 326 HB2 LYS 48 1HB LYS 48 0.343 11.634 0.228 327 HB3 LYS 48 2HB LYS 48 -1.268 12.333 0.329 328 HG2 LYS 48 1HG LYS 48 -1.200 11.513 2.785 329 HG3 LYS 48 2HG LYS 48 0.545 11.438 2.527 330 HD2 LYS 48 1HD LYS 48 0.351 13.583 3.299 331 HD3 LYS 48 2HD LYS 48 0.157 13.867 1.568 332 HE2 LYS 48 1HE LYS 48 -2.311 13.729 1.897 333 HE3 LYS 48 2HE LYS 48 -2.027 13.637 3.635 334 HZ1 LYS 48 1HZ LYS 48 -0.673 15.803 3.169 335 HZ2 LYS 48 2HZ LYS 48 -2.352 15.866 3.365 336 HZ3 LYS 48 3HZ LYS 48 -1.680 15.908 1.813 337 H SER 49 H SER 49 -3.374 10.152 -0.832 338 HA SER 49 HA SER 49 -2.095 9.240 -3.303 339 HB2 SER 49 1HB SER 49 -4.136 8.069 -2.332 340 HB3 SER 49 2HB SER 49 -5.060 9.500 -2.789 341 HG SER 49 HG SER 49 -4.132 9.107 -4.963 342 H ASN 50 H ASN 50 -1.152 11.221 -3.920 343 HA ASN 50 HA ASN 50 -2.733 12.821 -5.611 344 HB2 ASN 50 1HB ASN 50 -2.436 14.996 -4.345 345 HB3 ASN 50 2HB ASN 50 -3.629 13.886 -3.678 346 HD21 ASN 50 1HD2 ASN 50 -3.579 13.823 -1.563 347 HD22 ASN 50 2HD2 ASN 50 -2.174 13.952 -0.566 348 H GLU 51 H GLU 51 -1.494 14.486 -6.697 349 HA GLU 51 HA GLU 51 1.077 13.715 -7.381 350 HB2 GLU 51 1HB GLU 51 -0.393 16.322 -7.668 351 HB3 GLU 51 2HB GLU 51 1.264 16.150 -8.229 352 HG2 GLU 51 1HG GLU 51 -0.905 14.277 -9.105 353 HG3 GLU 51 2HG GLU 51 -0.599 15.807 -9.925 354 HA PRO 52 HA PRO 52 3.647 15.106 -4.089 355 HB2 PRO 52 1HB PRO 52 5.998 15.296 -5.433 356 HB3 PRO 52 2HB PRO 52 5.269 13.749 -4.986 357 HG2 PRO 52 1HG PRO 52 5.204 15.184 -7.612 358 HG3 PRO 52 2HG PRO 52 5.455 13.459 -7.286 359 HD2 PRO 52 1HD PRO 52 3.071 14.457 -8.095 360 HD3 PRO 52 2HD PRO 52 3.202 13.053 -7.016 361 H GLU 53 H GLU 53 2.940 17.161 -3.568 362 HA GLU 53 HA GLU 53 3.040 19.456 -5.084 363 HB2 GLU 53 1HB GLU 53 1.894 19.368 -2.943 364 HB3 GLU 53 2HB GLU 53 3.424 19.168 -2.100 365 HG2 GLU 53 1HG GLU 53 2.832 21.413 -1.804 366 HG3 GLU 53 2HG GLU 53 4.085 21.418 -3.043 367 H GLY 54 H GLY 54 5.565 18.141 -2.960 368 HA2 GLY 54 1HA GLY 54 7.688 19.066 -4.553 369 HA3 GLY 54 2HA GLY 54 7.416 20.229 -3.264 370 H GLN 55 H GLN 55 6.715 18.519 -1.185 371 HA GLN 55 HA GLN 55 8.996 17.934 0.089 372 HB2 GLN 55 1HB GLN 55 6.450 16.313 0.137 373 HB3 GLN 55 2HB GLN 55 7.762 16.094 1.286 374 HG2 GLN 55 1HG GLN 55 7.498 18.422 2.011 375 HG3 GLN 55 2HG GLN 55 6.155 18.607 0.885 376 HE21 GLN 55 1HE2 GLN 55 4.572 16.597 1.159 377 HE22 GLN 55 2HE2 GLN 55 4.042 16.360 2.786 378 H VAL 56 H VAL 56 7.324 15.646 -2.062 379 HA VAL 56 HA VAL 56 9.808 14.064 -2.176 380 HB VAL 56 HB VAL 56 6.972 13.178 -2.724 381 HG11 VAL 56 1HG1 VAL 56 7.868 11.540 -3.930 382 HG12 VAL 56 2HG1 VAL 56 9.503 12.075 -3.537 383 HG13 VAL 56 3HG1 VAL 56 8.656 10.961 -2.463 384 HG21 VAL 56 1HG2 VAL 56 6.957 13.071 -0.473 385 HG22 VAL 56 2HG2 VAL 56 7.882 11.592 -0.732 386 HG23 VAL 56 3HG2 VAL 56 8.716 13.099 -0.354 387 H GLU 57 H GLU 57 10.686 13.519 -4.136 388 HA GLU 57 HA GLU 57 10.052 15.217 -6.346 389 HB2 GLU 57 1HB GLU 57 11.861 12.815 -6.475 390 HB3 GLU 57 2HB GLU 57 11.948 14.300 -7.413 391 HG2 GLU 57 1HG GLU 57 12.527 15.520 -5.337 392 HG3 GLU 57 2HG GLU 57 12.566 13.977 -4.487 393 HA PRO 58 HA PRO 58 7.230 12.727 -8.606 394 HB2 PRO 58 1HB PRO 58 7.901 13.367 -11.157 395 HB3 PRO 58 2HB PRO 58 7.053 14.481 -10.079 396 HG2 PRO 58 1HG PRO 58 9.963 14.363 -10.773 397 HG3 PRO 58 2HG PRO 58 8.903 15.778 -10.628 398 HD2 PRO 58 1HD PRO 58 10.617 15.034 -8.667 399 HD3 PRO 58 2HD PRO 58 9.060 15.817 -8.328 400 H GLY 59 H GLY 59 10.621 12.284 -8.905 401 HA2 GLY 59 1HA GLY 59 10.153 9.661 -10.184 402 HA3 GLY 59 2HA GLY 59 11.562 10.646 -10.547 403 H ALA 60 H ALA 60 9.940 9.576 -7.555 404 HA ALA 60 HA ALA 60 12.563 8.612 -6.616 405 HB1 ALA 60 1HB ALA 60 12.057 10.471 -5.272 406 HB2 ALA 60 2HB ALA 60 10.365 9.999 -5.110 407 HB3 ALA 60 3HB ALA 60 11.622 9.066 -4.297 408 H LEU 61 H LEU 61 9.070 8.202 -6.000 409 HA LEU 61 HA LEU 61 9.528 5.298 -5.878 410 HB2 LEU 61 1HB LEU 61 9.272 5.976 -3.617 411 HB3 LEU 61 2HB LEU 61 7.899 7.007 -4.014 412 HG LEU 61 HG LEU 61 6.608 4.935 -4.563 413 HD11 LEU 61 1HD1 LEU 61 7.662 2.996 -4.738 414 HD12 LEU 61 2HD1 LEU 61 8.078 3.078 -3.026 415 HD13 LEU 61 3HD1 LEU 61 9.176 3.747 -4.233 416 HD21 LEU 61 1HD2 LEU 61 7.584 5.711 -1.880 417 HD22 LEU 61 2HD2 LEU 61 6.718 4.179 -2.001 418 HD23 LEU 61 3HD2 LEU 61 5.943 5.675 -2.527 419 H ARG 62 H ARG 62 8.065 4.047 -6.922 420 HA ARG 62 HA ARG 62 5.847 5.450 -8.259 421 HB2 ARG 62 1HB ARG 62 7.693 3.276 -9.142 422 HB3 ARG 62 2HB ARG 62 6.056 3.296 -9.784 423 HG2 ARG 62 1HG ARG 62 6.403 5.188 -10.999 424 HG3 ARG 62 2HG ARG 62 7.603 5.824 -9.872 425 HD2 ARG 62 1HD ARG 62 9.293 4.418 -10.721 426 HD3 ARG 62 2HD ARG 62 8.130 3.410 -11.581 427 HE ARG 62 HE ARG 62 9.240 5.928 -12.458 428 HH11 ARG 62 2HH1 ARG 62 6.687 3.592 -12.839 429 HH12 ARG 62 1HH1 ARG 62 6.299 4.086 -14.454 430 HH21 ARG 62 2HH2 ARG 62 8.739 6.587 -14.583 431 HH22 ARG 62 1HH2 ARG 62 7.468 5.789 -15.445 432 H TYR 63 H TYR 63 3.879 4.942 -7.585 433 HA TYR 63 HA TYR 63 3.298 2.201 -6.752 434 HB2 TYR 63 1HB TYR 63 2.190 2.900 -4.717 435 HB3 TYR 63 2HB TYR 63 3.848 3.489 -4.698 436 HD1 TYR 63 1HD TYR 63 3.984 5.938 -5.972 437 HD2 TYR 63 2HD TYR 63 0.666 4.367 -3.821 438 HE1 TYR 63 1HE TYR 63 3.171 8.224 -5.569 439 HE2 TYR 63 2HE TYR 63 -0.157 6.649 -3.412 440 HH TYR 63 HH TYR 63 0.061 8.895 -4.435 441 H ARG 64 H ARG 64 1.083 1.631 -6.873 442 HA ARG 64 HA ARG 64 -0.615 3.564 -8.305 443 HB2 ARG 64 1HB ARG 64 0.279 1.897 -9.881 444 HB3 ARG 64 2HB ARG 64 -0.378 0.606 -8.884 445 HG2 ARG 64 1HG ARG 64 -2.579 1.125 -9.449 446 HG3 ARG 64 2HG ARG 64 -2.145 2.734 -10.029 447 HD2 ARG 64 1HD ARG 64 -1.184 0.198 -11.333 448 HD3 ARG 64 2HD ARG 64 -2.672 1.018 -11.806 449 HE ARG 64 HE ARG 64 0.042 1.881 -12.331 450 HH11 ARG 64 2HH1 ARG 64 -3.332 2.738 -12.236 451 HH12 ARG 64 1HH1 ARG 64 -3.154 4.084 -13.312 452 HH21 ARG 64 2HH2 ARG 64 0.288 3.651 -13.748 453 HH22 ARG 64 1HH2 ARG 64 -1.095 4.602 -14.172 454 H ILE 65 H ILE 65 -2.388 3.992 -7.186 455 HA ILE 65 HA ILE 65 -3.457 1.917 -5.387 456 HB ILE 65 HB ILE 65 -3.672 4.921 -5.173 457 HG12 ILE 65 1HG1 ILE 65 -2.364 2.917 -3.323 458 HG13 ILE 65 2HG1 ILE 65 -1.494 3.887 -4.508 459 HG21 ILE 65 1HG2 ILE 65 -5.397 4.702 -3.788 460 HG22 ILE 65 2HG2 ILE 65 -5.509 3.020 -4.304 461 HG23 ILE 65 3HG2 ILE 65 -4.576 3.441 -2.868 462 HD11 ILE 65 1HD1 ILE 65 -2.324 5.921 -3.351 463 HD12 ILE 65 2HD1 ILE 65 -3.008 4.874 -2.107 464 HD13 ILE 65 3HD1 ILE 65 -1.265 4.910 -2.369 465 H GLU 66 H GLU 66 -5.122 0.934 -6.336 466 HA GLU 66 HA GLU 66 -7.075 2.593 -7.791 467 HB2 GLU 66 1HB GLU 66 -6.490 -0.350 -8.157 468 HB3 GLU 66 2HB GLU 66 -7.664 0.589 -9.069 469 HG2 GLU 66 1HG GLU 66 -4.753 1.300 -9.039 470 HG3 GLU 66 2HG GLU 66 -5.415 0.113 -10.162 471 H GLN 67 H GLN 67 -8.698 3.018 -6.430 472 HA GLN 67 HA GLN 67 -9.615 0.942 -4.585 473 HB2 GLN 67 1HB GLN 67 -9.175 3.190 -3.676 474 HB3 GLN 67 2HB GLN 67 -10.383 3.860 -4.764 475 HG2 GLN 67 1HG GLN 67 -11.909 2.051 -3.570 476 HG3 GLN 67 2HG GLN 67 -10.725 2.281 -2.284 477 HE21 GLN 67 1HE2 GLN 67 -13.640 3.048 -2.731 478 HE22 GLN 67 2HE2 GLN 67 -13.695 4.718 -2.291 479 H LYS 68 H LYS 68 -11.096 -0.395 -5.377 480 HA LYS 68 HA LYS 68 -13.264 0.741 -7.020 481 HB2 LYS 68 1HB LYS 68 -11.970 -1.982 -7.226 482 HB3 LYS 68 2HB LYS 68 -13.426 -1.512 -8.092 483 HG2 LYS 68 1HG LYS 68 -12.269 0.042 -9.416 484 HG3 LYS 68 2HG LYS 68 -10.855 0.011 -8.359 485 HD2 LYS 68 1HD LYS 68 -11.774 -2.462 -9.785 486 HD3 LYS 68 2HD LYS 68 -10.756 -1.270 -10.597 487 HE2 LYS 68 1HE LYS 68 -9.113 -1.492 -8.756 488 HE3 LYS 68 2HE LYS 68 -10.113 -2.764 -8.056 489 HZ1 LYS 68 1HZ LYS 68 -8.240 -3.584 -9.429 490 HZ2 LYS 68 2HZ LYS 68 -8.962 -2.883 -10.788 491 HZ3 LYS 68 3HZ LYS 68 -9.752 -4.127 -9.958 492 H GLY 69 H GLY 69 -14.374 1.090 -4.975 493 HA2 GLY 69 1HA GLY 69 -15.982 0.522 -3.439 494 HA3 GLY 69 2HA GLY 69 -16.260 -0.913 -4.415 495 H LEU 70 H LEU 70 -16.161 -2.685 -3.221 496 HA LEU 70 HA LEU 70 -14.638 -2.746 -0.767 497 HB2 LEU 70 1HB LEU 70 -15.525 -5.198 -0.833 498 HB3 LEU 70 2HB LEU 70 -16.612 -3.860 -0.469 499 HG LEU 70 HG LEU 70 -16.412 -4.731 -3.300 500 HD11 LEU 70 1HD1 LEU 70 -18.116 -6.252 -1.349 501 HD12 LEU 70 2HD1 LEU 70 -16.524 -6.814 -1.859 502 HD13 LEU 70 3HD1 LEU 70 -17.808 -6.606 -3.049 503 HD21 LEU 70 1HD2 LEU 70 -17.978 -2.975 -1.855 504 HD22 LEU 70 2HD2 LEU 70 -19.026 -4.376 -2.085 505 HD23 LEU 70 3HD2 LEU 70 -18.307 -3.572 -3.481 506 H GLN 71 H GLN 71 -13.099 -2.470 -3.176 507 HA GLN 71 HA GLN 71 -11.350 -4.777 -2.821 508 HB2 GLN 71 1HB GLN 71 -12.901 -5.143 -4.817 509 HB3 GLN 71 2HB GLN 71 -12.038 -3.823 -5.596 510 HG2 GLN 71 1HG GLN 71 -10.050 -5.028 -5.712 511 HG3 GLN 71 2HG GLN 71 -10.573 -6.186 -4.490 512 HE21 GLN 71 1HE2 GLN 71 -10.863 -8.105 -5.347 513 HE22 GLN 71 2HE2 GLN 71 -11.571 -8.442 -6.886 514 H HIS 72 H HIS 72 -9.610 -3.755 -2.043 515 HA HIS 72 HA HIS 72 -8.650 -1.364 -3.472 516 HB2 HIS 72 1HB HIS 72 -8.070 -2.210 -0.625 517 HB3 HIS 72 2HB HIS 72 -7.495 -0.738 -1.404 518 HD2 HIS 72 2HD HIS 72 -11.192 -2.142 -1.052 519 HE1 HIS 72 1HE HIS 72 -11.056 1.910 0.197 520 HE2 HIS 72 2HE HIS 72 -12.504 -0.131 -0.089 521 H ARG 73 H ARG 73 -6.363 -1.133 -3.773 522 HA ARG 73 HA ARG 73 -4.612 -3.358 -3.278 523 HB2 ARG 73 1HB ARG 73 -6.043 -3.832 -5.428 524 HB3 ARG 73 2HB ARG 73 -4.938 -2.688 -6.177 525 HG2 ARG 73 1HG ARG 73 -3.044 -4.078 -5.549 526 HG3 ARG 73 2HG ARG 73 -4.132 -5.214 -4.749 527 HD2 ARG 73 1HD ARG 73 -5.251 -5.613 -6.912 528 HD3 ARG 73 2HD ARG 73 -4.091 -4.536 -7.688 529 HE ARG 73 HE ARG 73 -2.878 -6.700 -6.232 530 HH11 ARG 73 2HH1 ARG 73 -4.247 -5.699 -9.272 531 HH12 ARG 73 1HH1 ARG 73 -3.389 -6.885 -10.198 532 HH21 ARG 73 2HH2 ARG 73 -1.742 -8.266 -7.440 533 HH22 ARG 73 1HH2 ARG 73 -1.965 -8.346 -9.155 534 H LEU 74 H LEU 74 -2.501 -2.748 -3.285 535 HA LEU 74 HA LEU 74 -1.846 -0.100 -4.383 536 HB2 LEU 74 1HB LEU 74 -2.093 0.276 -2.058 537 HB3 LEU 74 2HB LEU 74 -1.204 -1.192 -1.657 538 HG LEU 74 HG LEU 74 0.790 0.025 -2.810 539 HD11 LEU 74 1HD1 LEU 74 0.740 2.416 -2.683 540 HD12 LEU 74 2HD1 LEU 74 -0.880 2.394 -1.988 541 HD13 LEU 74 3HD1 LEU 74 -0.630 1.881 -3.657 542 HD21 LEU 74 1HD2 LEU 74 1.463 0.932 -0.686 543 HD22 LEU 74 2HD2 LEU 74 0.592 -0.577 -0.413 544 HD23 LEU 74 3HD2 LEU 74 -0.209 0.968 -0.126 545 H ILE 75 H ILE 75 -0.595 -0.676 -6.069 546 HA ILE 75 HA ILE 75 1.408 -2.770 -5.749 547 HB ILE 75 HB ILE 75 0.774 -1.150 -8.216 548 HG12 ILE 75 1HG1 ILE 75 -0.265 -3.559 -8.763 549 HG13 ILE 75 2HG1 ILE 75 -0.500 -3.556 -7.019 550 HG21 ILE 75 1HG2 ILE 75 1.991 -3.871 -8.225 551 HG22 ILE 75 2HG2 ILE 75 2.134 -2.570 -9.405 552 HG23 ILE 75 3HG2 ILE 75 3.005 -2.472 -7.875 553 HD11 ILE 75 1HD1 ILE 75 -1.899 -2.081 -9.106 554 HD12 ILE 75 2HD1 ILE 75 -2.419 -2.527 -7.481 555 HD13 ILE 75 3HD1 ILE 75 -1.426 -1.090 -7.726 556 H LEU 76 H LEU 76 3.529 -2.413 -5.512 557 HA LEU 76 HA LEU 76 4.518 0.340 -5.863 558 HB2 LEU 76 1HB LEU 76 5.485 -1.627 -3.799 559 HB3 LEU 76 2HB LEU 76 5.962 0.061 -3.969 560 HG LEU 76 HG LEU 76 3.106 -0.619 -3.404 561 HD11 LEU 76 1HD1 LEU 76 5.403 -0.756 -1.489 562 HD12 LEU 76 2HD1 LEU 76 4.042 -1.861 -1.681 563 HD13 LEU 76 3HD1 LEU 76 3.795 -0.278 -0.945 564 HD21 LEU 76 1HD2 LEU 76 3.961 1.587 -1.948 565 HD22 LEU 76 2HD2 LEU 76 3.028 1.604 -3.444 566 HD23 LEU 76 3HD2 LEU 76 4.786 1.732 -3.500 567 H HIS 77 H HIS 77 5.540 0.151 -7.790 568 HA HIS 77 HA HIS 77 7.228 -2.137 -8.358 569 HB2 HIS 77 1HB HIS 77 7.179 0.275 -10.115 570 HB3 HIS 77 2HB HIS 77 7.247 -1.429 -10.553 571 HD1 HIS 77 1HD HIS 77 5.122 -2.411 -11.367 572 HD2 HIS 77 2HD HIS 77 4.488 1.036 -9.136 573 HE1 HIS 77 1HE HIS 77 2.654 -1.953 -11.523 574 HE2 HIS 77 2HE HIS 77 2.308 0.184 -10.236 575 H ALA 78 H ALA 78 9.395 -2.210 -8.229 576 HA ALA 78 HA ALA 78 11.569 -1.556 -7.947 577 HB1 ALA 78 1HB ALA 78 11.360 1.290 -7.783 578 HB2 ALA 78 2HB ALA 78 12.092 0.298 -9.045 579 HB3 ALA 78 3HB ALA 78 10.378 0.706 -9.128 580 H VAL 79 H VAL 79 10.351 -2.372 -5.765 581 HA VAL 79 HA VAL 79 10.373 -0.404 -3.659 582 HB VAL 79 HB VAL 79 9.940 -2.334 -2.159 583 HG11 VAL 79 1HG1 VAL 79 7.973 -2.834 -4.265 584 HG12 VAL 79 2HG1 VAL 79 7.752 -2.211 -2.628 585 HG13 VAL 79 3HG1 VAL 79 8.245 -1.125 -3.928 586 HG21 VAL 79 1HG2 VAL 79 11.170 -4.056 -3.320 587 HG22 VAL 79 2HG2 VAL 79 9.477 -4.535 -3.193 588 HG23 VAL 79 3HG2 VAL 79 10.106 -3.918 -4.720 589 H LYS 80 H LYS 80 12.090 0.211 -2.534 590 HA LYS 80 HA LYS 80 14.629 -1.104 -2.896 591 HB2 LYS 80 1HB LYS 80 13.850 1.265 -1.186 592 HB3 LYS 80 2HB LYS 80 15.498 0.713 -1.453 593 HG2 LYS 80 1HG LYS 80 15.246 2.488 -2.932 594 HG3 LYS 80 2HG LYS 80 15.016 1.058 -3.941 595 HD2 LYS 80 1HD LYS 80 12.745 1.414 -4.157 596 HD3 LYS 80 2HD LYS 80 12.645 2.355 -2.667 597 HE2 LYS 80 1HE LYS 80 12.357 3.840 -4.528 598 HE3 LYS 80 2HE LYS 80 13.927 4.162 -3.794 599 HZ1 LYS 80 1HZ LYS 80 14.393 4.114 -6.041 600 HZ2 LYS 80 2HZ LYS 80 13.322 2.845 -6.360 601 HZ3 LYS 80 3HZ LYS 80 14.786 2.537 -5.571 602 H HIS 81 H HIS 81 15.841 -2.170 -1.355 603 HA HIS 81 HA HIS 81 14.454 -3.699 0.552 604 HB2 HIS 81 1HB HIS 81 16.421 -4.689 -0.213 605 HB3 HIS 81 2HB HIS 81 17.357 -3.210 -0.023 606 HD1 HIS 81 1HD HIS 81 15.572 -5.691 2.252 607 HD2 HIS 81 2HD HIS 81 18.946 -3.268 2.158 608 HE1 HIS 81 1HE HIS 81 16.804 -6.171 4.391 609 HE2 HIS 81 2HE HIS 81 18.797 -4.632 4.351 610 H GLN 82 H GLN 82 16.154 -0.652 0.778 611 HA GLN 82 HA GLN 82 16.630 -0.396 3.462 612 HB2 GLN 82 1HB GLN 82 16.350 2.022 3.169 613 HB3 GLN 82 2HB GLN 82 17.245 1.315 1.830 614 HG2 GLN 82 1HG GLN 82 15.031 1.246 0.589 615 HG3 GLN 82 2HG GLN 82 14.410 2.290 1.866 616 HE21 GLN 82 1HE2 GLN 82 15.630 4.305 2.248 617 HE22 GLN 82 2HE2 GLN 82 16.305 5.118 0.881 618 H ASP 83 H ASP 83 13.576 -0.531 1.854 619 HA ASP 83 HA ASP 83 12.164 0.340 4.271 620 HB2 ASP 83 1HB ASP 83 11.405 0.077 1.390 621 HB3 ASP 83 2HB ASP 83 10.143 -0.014 2.615 622 H SER 84 H SER 84 13.579 -2.229 4.047 623 HA SER 84 HA SER 84 11.791 -4.357 3.633 624 HB2 SER 84 1HB SER 84 14.244 -4.638 3.742 625 HB3 SER 84 2HB SER 84 14.202 -4.265 5.465 626 HG SER 84 HG SER 84 12.915 -6.121 5.763 627 H GLY 85 H GLY 85 10.964 -5.844 5.310 628 HA2 GLY 85 1HA GLY 85 9.498 -6.190 7.048 629 HA3 GLY 85 2HA GLY 85 10.681 -5.302 7.997 630 H ALA 86 H ALA 86 8.836 -3.968 5.317 631 HA ALA 86 HA ALA 86 7.990 -1.738 6.861 632 HB1 ALA 86 1HB ALA 86 8.149 -1.128 4.677 633 HB2 ALA 86 2HB ALA 86 7.575 -2.687 4.082 634 HB3 ALA 86 3HB ALA 86 6.428 -1.511 4.725 635 H LEU 87 H LEU 87 5.600 -1.083 6.852 636 HA LEU 87 HA LEU 87 3.908 -3.400 7.511 637 HB2 LEU 87 1HB LEU 87 4.914 -1.893 9.436 638 HB3 LEU 87 2HB LEU 87 3.564 -0.847 8.997 639 HG LEU 87 HG LEU 87 2.884 -2.181 10.848 640 HD11 LEU 87 1HD1 LEU 87 1.641 -3.599 8.523 641 HD12 LEU 87 2HD1 LEU 87 1.349 -1.883 8.802 642 HD13 LEU 87 3HD1 LEU 87 0.898 -3.064 10.031 643 HD21 LEU 87 1HD2 LEU 87 4.589 -3.947 10.581 644 HD22 LEU 87 2HD2 LEU 87 3.654 -4.616 9.243 645 HD23 LEU 87 3HD2 LEU 87 2.974 -4.594 10.871 646 H VAL 88 H VAL 88 2.685 -3.362 5.673 647 HA VAL 88 HA VAL 88 1.377 -0.850 4.918 648 HB VAL 88 HB VAL 88 1.376 -3.481 3.436 649 HG11 VAL 88 1HG1 VAL 88 0.947 -1.027 1.930 650 HG12 VAL 88 2HG1 VAL 88 0.033 -2.537 1.921 651 HG13 VAL 88 3HG1 VAL 88 -0.295 -1.313 3.148 652 HG21 VAL 88 1HG2 VAL 88 3.085 -2.577 2.018 653 HG22 VAL 88 2HG2 VAL 88 3.039 -1.031 2.865 654 HG23 VAL 88 3HG2 VAL 88 3.640 -2.470 3.688 655 H GLY 89 H GLY 89 -0.594 -0.456 5.665 656 HA2 GLY 89 1HA GLY 89 -2.504 -2.671 5.877 657 HA3 GLY 89 2HA GLY 89 -2.204 -1.697 7.309 658 H PHE 90 H PHE 90 -4.634 -2.115 5.605 659 HA PHE 90 HA PHE 90 -5.090 0.619 4.653 660 HB2 PHE 90 1HB PHE 90 -5.761 -0.871 2.980 661 HB3 PHE 90 2HB PHE 90 -6.443 -2.011 4.136 662 HD1 PHE 90 2HD PHE 90 -6.967 1.234 2.468 663 HD2 PHE 90 1HD PHE 90 -8.694 -1.853 4.836 664 HE1 PHE 90 2HE PHE 90 -9.198 2.204 2.100 665 HE2 PHE 90 1HE PHE 90 -10.928 -0.888 4.471 666 HZ PHE 90 HZ PHE 90 -11.182 1.144 3.103 667 H SER 91 H SER 91 -5.741 1.921 6.248 668 HA SER 91 HA SER 91 -7.496 0.910 8.344 669 HB2 SER 91 1HB SER 91 -7.101 3.091 9.425 670 HB3 SER 91 2HB SER 91 -5.584 2.293 9.011 671 HG SER 91 HG SER 91 -6.667 4.636 8.054 672 H CYS 92 H CYS 92 -9.620 1.252 8.407 673 HA CYS 92 HA CYS 92 -10.793 3.507 6.987 674 HB2 CYS 92 1HB CYS 92 -12.055 2.326 5.485 675 HB3 CYS 92 2HB CYS 92 -10.667 1.250 5.581 676 HG CYS 92 HG CYS 92 -13.549 0.819 7.375 677 HA PRO 93 HA PRO 93 -13.572 3.606 10.379 678 HB2 PRO 93 1HB PRO 93 -15.839 4.539 9.212 679 HB3 PRO 93 2HB PRO 93 -14.416 5.550 9.491 680 HG2 PRO 93 1HG PRO 93 -15.301 4.175 6.983 681 HG3 PRO 93 2HG PRO 93 -14.657 5.814 7.193 682 HD2 PRO 93 1HD PRO 93 -13.139 3.754 6.306 683 HD3 PRO 93 2HD PRO 93 -12.474 5.079 7.281 684 H GLY 94 H GLY 94 -13.521 1.186 10.455 685 HA2 GLY 94 1HA GLY 94 -15.736 -0.070 11.093 686 HA3 GLY 94 2HA GLY 94 -15.906 -0.100 9.344 687 H VAL 95 H VAL 95 -12.837 -0.284 9.266 688 HA VAL 95 HA VAL 95 -12.501 -3.052 10.162 689 HB VAL 95 HB VAL 95 -12.063 -2.107 7.329 690 HG11 VAL 95 1HG1 VAL 95 -10.165 -3.464 8.087 691 HG12 VAL 95 2HG1 VAL 95 -11.280 -4.746 8.566 692 HG13 VAL 95 3HG1 VAL 95 -11.122 -4.301 6.866 693 HG21 VAL 95 1HG2 VAL 95 -14.256 -3.309 8.584 694 HG22 VAL 95 2HG2 VAL 95 -13.992 -3.106 6.852 695 HG23 VAL 95 3HG2 VAL 95 -13.479 -4.590 7.654 696 H GLN 96 H GLN 96 -10.371 -3.665 10.553 697 HA GLN 96 HA GLN 96 -8.257 -1.712 10.075 698 HB2 GLN 96 1HB GLN 96 -8.799 -2.833 12.828 699 HB3 GLN 96 2HB GLN 96 -7.517 -1.714 12.384 700 HG2 GLN 96 1HG GLN 96 -9.173 -0.011 11.848 701 HG3 GLN 96 2HG GLN 96 -10.467 -1.132 12.266 702 HE21 GLN 96 1HE2 GLN 96 -11.319 -0.686 14.154 703 HE22 GLN 96 2HE2 GLN 96 -10.477 -0.117 15.551 704 H ASP 97 H ASP 97 -6.806 -2.867 8.992 705 HA ASP 97 HA ASP 97 -5.760 -5.302 10.187 706 HB2 ASP 97 1HB ASP 97 -7.684 -5.781 8.463 707 HB3 ASP 97 2HB ASP 97 -6.434 -5.434 7.271 708 H SER 98 H SER 98 -3.742 -6.011 9.160 709 HA SER 98 HA SER 98 -2.433 -4.189 7.342 710 HB2 SER 98 1HB SER 98 -0.617 -3.569 8.832 711 HB3 SER 98 2HB SER 98 -2.149 -3.081 9.555 712 HG SER 98 HG SER 98 -0.772 -4.126 11.060 713 H ALA 99 H ALA 99 -0.411 -4.990 6.563 714 HA ALA 99 HA ALA 99 0.003 -7.856 7.121 715 HB1 ALA 99 1HB ALA 99 -0.888 -6.945 4.782 716 HB2 ALA 99 2HB ALA 99 0.844 -6.757 4.502 717 HB3 ALA 99 3HB ALA 99 0.184 -8.341 4.911 718 H ALA 100 H ALA 100 2.301 -8.463 6.078 719 HA ALA 100 HA ALA 100 4.243 -6.491 7.094 720 HB1 ALA 100 1HB ALA 100 3.746 -8.737 8.412 721 HB2 ALA 100 2HB ALA 100 4.904 -9.380 7.247 722 HB3 ALA 100 3HB ALA 100 5.368 -8.051 8.311 723 H LEU 101 H LEU 101 5.680 -5.852 5.635 724 HA LEU 101 HA LEU 101 5.945 -7.361 3.147 725 HB2 LEU 101 1HB LEU 101 5.452 -4.985 2.981 726 HB3 LEU 101 2HB LEU 101 6.901 -4.605 3.911 727 HG LEU 101 HG LEU 101 8.212 -5.685 2.014 728 HD11 LEU 101 1HD1 LEU 101 6.460 -6.890 0.914 729 HD12 LEU 101 2HD1 LEU 101 7.044 -5.637 -0.181 730 HD13 LEU 101 3HD1 LEU 101 5.522 -5.414 0.683 731 HD21 LEU 101 1HD2 LEU 101 7.329 -3.514 0.542 732 HD22 LEU 101 2HD2 LEU 101 8.610 -3.510 1.754 733 HD23 LEU 101 3HD2 LEU 101 6.962 -3.077 2.211 734 H THR 102 H THR 102 7.923 -8.038 2.317 735 HA THR 102 HA THR 102 10.257 -7.850 4.085 736 HB THR 102 HB THR 102 9.228 -10.430 2.888 737 HG1 THR 102 1HG THR 102 9.720 -10.050 5.624 738 HG21 THR 102 1HG2 THR 102 11.549 -10.286 4.756 739 HG22 THR 102 2HG2 THR 102 11.807 -9.917 3.051 740 HG23 THR 102 3HG2 THR 102 11.167 -11.490 3.526 741 H ILE 103 H ILE 103 11.995 -7.218 2.997 742 HA ILE 103 HA ILE 103 12.165 -7.845 0.123 743 HB ILE 103 HB ILE 103 13.052 -5.275 1.439 744 HG12 ILE 103 1HG1 ILE 103 10.917 -5.558 -0.662 745 HG13 ILE 103 2HG1 ILE 103 10.533 -5.722 1.048 746 HG21 ILE 103 1HG2 ILE 103 14.556 -5.667 -0.310 747 HG22 ILE 103 2HG2 ILE 103 13.302 -6.331 -1.357 748 HG23 ILE 103 3HG2 ILE 103 13.338 -4.602 -1.012 749 HD11 ILE 103 1HD1 ILE 103 12.079 -3.331 0.331 750 HD12 ILE 103 2HD1 ILE 103 10.437 -3.404 -0.309 751 HD13 ILE 103 3HD1 ILE 103 10.712 -3.520 1.429 752 H GLN 104 H GLN 104 13.784 -9.221 -0.172 753 HA GLN 104 HA GLN 104 16.049 -9.245 1.654 754 HB2 GLN 104 1HB GLN 104 15.163 -11.075 -0.570 755 HB3 GLN 104 2HB GLN 104 16.719 -11.256 0.229 756 HG2 GLN 104 1HG GLN 104 14.080 -11.290 1.670 757 HG3 GLN 104 2HG GLN 104 14.914 -12.734 1.099 758 HE21 GLN 104 1HE2 GLN 104 14.254 -12.251 3.777 759 HE22 GLN 104 2HE2 GLN 104 15.718 -12.087 4.678 760 H GLU 105 H GLU 105 18.043 -8.524 1.192 761 HA GLU 105 HA GLU 105 18.570 -6.676 -0.757 762 HB2 GLU 105 1HB GLU 105 20.456 -8.580 0.630 763 HB3 GLU 105 2HB GLU 105 21.007 -7.272 -0.408 764 HG2 GLU 105 1HG GLU 105 19.953 -5.643 1.056 765 HG3 GLU 105 2HG GLU 105 19.354 -6.942 2.085 766 H SER 106 H SER 106 20.026 -6.784 -2.634 767 HA SER 106 HA SER 106 19.840 -9.349 -4.066 768 HB2 SER 106 1HB SER 106 18.989 -6.621 -4.955 769 HB3 SER 106 2HB SER 106 19.622 -7.750 -6.153 770 HG SER 106 HG SER 106 17.765 -8.839 -4.445 771 H SER 107 H SER 107 21.456 -9.708 -5.675 772 HA SER 107 HA SER 107 24.035 -9.266 -4.967 773 HB2 SER 107 1HB SER 107 23.279 -10.796 -6.787 774 HB3 SER 107 2HB SER 107 23.088 -9.394 -7.840 775 HG SER 107 HG SER 107 25.273 -9.053 -7.772 776 H GLY 108 H GLY 108 25.236 -7.513 -4.699 777 HA2 GLY 108 1HA GLY 108 25.823 -5.571 -6.532 778 HA3 GLY 108 2HA GLY 108 24.398 -4.957 -5.707 779 HA PRO 109 HA PRO 109 28.045 -3.465 -3.328 780 HB2 PRO 109 1HB PRO 109 26.984 -1.018 -2.822 781 HB3 PRO 109 2HB PRO 109 27.864 -1.395 -4.308 782 HG2 PRO 109 1HG PRO 109 24.911 -1.283 -3.832 783 HG3 PRO 109 2HG PRO 109 25.846 -0.665 -5.206 784 HD2 PRO 109 1HD PRO 109 24.484 -3.003 -5.304 785 HD3 PRO 109 2HD PRO 109 25.995 -2.740 -6.199 786 H SER 110 H SER 110 28.251 -3.669 -1.173 787 HA SER 110 HA SER 110 26.005 -3.169 0.595 788 HB2 SER 110 1HB SER 110 27.151 -5.906 0.118 789 HB3 SER 110 2HB SER 110 26.459 -5.487 1.685 790 HG SER 110 HG SER 110 24.889 -4.777 -0.450 791 H SER 111 H SER 111 26.846 -1.936 2.128 792 HA SER 111 HA SER 111 29.634 -1.835 2.689 793 HB2 SER 111 1HB SER 111 27.822 0.019 2.949 794 HB3 SER 111 2HB SER 111 27.545 -0.707 4.532 795 HG SER 111 HG SER 111 30.192 -0.255 3.915 796 H GLY 112 H GLY 112 26.833 -3.165 4.409 797 HA2 GLY 112 1HA GLY 112 26.765 -4.941 5.894 798 HA3 GLY 112 2HA GLY 112 28.505 -5.111 5.716 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -7.645 20.453 3.695 2 HA2 GLY 1 1HA GLY 1 -8.557 18.801 5.214 3 HA3 GLY 1 2HA GLY 1 -9.789 19.971 5.663 4 H SER 2 H SER 2 -9.073 17.313 3.742 5 HA SER 2 HA SER 2 -10.546 17.655 1.432 6 HB2 SER 2 1HB SER 2 -9.799 15.301 3.096 7 HB3 SER 2 2HB SER 2 -11.044 15.065 1.869 8 HG SER 2 HG SER 2 -9.589 15.776 0.310 9 H SER 3 H SER 3 -12.656 16.383 0.979 10 HA SER 3 HA SER 3 -14.752 17.679 2.310 11 HB2 SER 3 1HB SER 3 -14.966 16.827 0.018 12 HB3 SER 3 2HB SER 3 -14.850 15.171 0.613 13 HG SER 3 HG SER 3 -16.930 15.295 0.822 14 H GLY 4 H GLY 4 -16.582 16.601 3.436 15 HA2 GLY 4 1HA GLY 4 -15.727 15.352 5.790 16 HA3 GLY 4 2HA GLY 4 -17.392 15.426 5.233 17 H SER 5 H SER 5 -16.347 13.241 6.627 18 HA SER 5 HA SER 5 -16.349 11.171 4.528 19 HB2 SER 5 1HB SER 5 -15.002 9.764 6.055 20 HB3 SER 5 2HB SER 5 -14.166 11.255 5.623 21 HG SER 5 HG SER 5 -14.586 10.388 8.020 22 H SER 6 H SER 6 -17.826 9.583 4.688 23 HA SER 6 HA SER 6 -19.139 8.982 7.189 24 HB2 SER 6 1HB SER 6 -21.415 9.445 6.344 25 HB3 SER 6 2HB SER 6 -20.445 10.914 6.448 26 HG SER 6 HG SER 6 -19.995 10.544 4.152 27 H GLY 7 H GLY 7 -19.074 6.837 7.200 28 HA2 GLY 7 1HA GLY 7 -20.502 5.096 5.733 29 HA3 GLY 7 2HA GLY 7 -19.087 5.337 4.718 30 H THR 8 H THR 8 -19.763 2.847 5.747 31 HA THR 8 HA THR 8 -17.343 2.228 7.198 32 HB THR 8 HB THR 8 -18.476 1.000 9.012 33 HG1 THR 8 1HG THR 8 -20.721 1.380 9.326 34 HG21 THR 8 1HG2 THR 8 -17.738 3.426 9.210 35 HG22 THR 8 2HG2 THR 8 -18.928 2.869 10.387 36 HG23 THR 8 3HG2 THR 8 -19.438 3.852 9.015 37 H ALA 9 H ALA 9 -16.857 -0.030 7.225 38 HA ALA 9 HA ALA 9 -18.621 -1.804 5.730 39 HB1 ALA 9 1HB ALA 9 -16.739 -2.501 4.238 40 HB2 ALA 9 2HB ALA 9 -17.346 -0.871 3.942 41 HB3 ALA 9 3HB ALA 9 -15.836 -1.104 4.822 42 H ARG 10 H ARG 10 -17.531 -4.058 5.576 43 HA ARG 10 HA ARG 10 -16.141 -4.593 8.120 44 HB2 ARG 10 1HB ARG 10 -18.257 -6.241 6.727 45 HB3 ARG 10 2HB ARG 10 -17.311 -6.811 8.095 46 HG2 ARG 10 1HG ARG 10 -18.228 -4.577 9.184 47 HG3 ARG 10 2HG ARG 10 -19.512 -4.830 7.999 48 HD2 ARG 10 1HD ARG 10 -19.566 -7.243 8.903 49 HD3 ARG 10 2HD ARG 10 -18.668 -6.592 10.273 50 HE ARG 10 HE ARG 10 -21.042 -5.103 9.668 51 HH11 ARG 10 2HH1 ARG 10 -19.772 -7.878 11.343 52 HH12 ARG 10 1HH1 ARG 10 -21.063 -7.935 12.497 53 HH21 ARG 10 2HH2 ARG 10 -22.747 -5.167 11.182 54 HH22 ARG 10 1HH2 ARG 10 -22.755 -6.393 12.404 55 H LEU 11 H LEU 11 -14.366 -5.868 8.065 56 HA LEU 11 HA LEU 11 -13.076 -6.326 5.586 57 HB2 LEU 11 1HB LEU 11 -11.969 -5.908 7.800 58 HB3 LEU 11 2HB LEU 11 -12.385 -7.562 8.243 59 HG LEU 11 HG LEU 11 -10.963 -8.421 6.472 60 HD11 LEU 11 1HD1 LEU 11 -10.765 -7.086 4.683 61 HD12 LEU 11 2HD1 LEU 11 -9.408 -6.387 5.566 62 HD13 LEU 11 3HD1 LEU 11 -10.992 -5.614 5.629 63 HD21 LEU 11 1HD2 LEU 11 -9.702 -6.409 8.319 64 HD22 LEU 11 2HD2 LEU 11 -8.763 -7.518 7.321 65 HD23 LEU 11 3HD2 LEU 11 -9.861 -8.150 8.548 66 H VAL 12 H VAL 12 -12.921 -8.103 4.331 67 HA VAL 12 HA VAL 12 -14.361 -10.516 5.226 68 HB VAL 12 HB VAL 12 -14.064 -9.536 2.384 69 HG11 VAL 12 1HG1 VAL 12 -16.075 -11.321 2.327 70 HG12 VAL 12 2HG1 VAL 12 -14.390 -11.741 2.015 71 HG13 VAL 12 3HG1 VAL 12 -15.087 -12.016 3.612 72 HG21 VAL 12 1HG2 VAL 12 -15.628 -8.062 3.120 73 HG22 VAL 12 2HG2 VAL 12 -16.695 -9.432 2.807 74 HG23 VAL 12 3HG2 VAL 12 -16.144 -9.101 4.449 75 H ALA 13 H ALA 13 -11.674 -9.297 3.267 76 HA ALA 13 HA ALA 13 -10.261 -11.823 3.772 77 HB1 ALA 13 1HB ALA 13 -9.575 -12.086 1.554 78 HB2 ALA 13 2HB ALA 13 -11.282 -11.661 1.429 79 HB3 ALA 13 3HB ALA 13 -10.045 -10.444 1.117 80 H GLY 14 H GLY 14 -9.267 -10.494 5.457 81 HA2 GLY 14 1HA GLY 14 -7.929 -8.154 5.285 82 HA3 GLY 14 2HA GLY 14 -7.299 -9.522 6.190 83 H LEU 15 H LEU 15 -5.631 -7.633 5.026 84 HA LEU 15 HA LEU 15 -4.697 -8.345 2.463 85 HB2 LEU 15 1HB LEU 15 -3.329 -6.967 4.764 86 HB3 LEU 15 2HB LEU 15 -2.621 -7.133 3.159 87 HG LEU 15 HG LEU 15 -5.291 -5.838 3.399 88 HD11 LEU 15 1HD1 LEU 15 -4.437 -4.463 4.982 89 HD12 LEU 15 2HD1 LEU 15 -3.741 -3.674 3.567 90 HD13 LEU 15 3HD1 LEU 15 -2.765 -4.788 4.524 91 HD21 LEU 15 1HD2 LEU 15 -4.675 -5.943 1.198 92 HD22 LEU 15 2HD2 LEU 15 -2.952 -5.818 1.558 93 HD23 LEU 15 3HD2 LEU 15 -3.977 -4.384 1.640 94 H GLU 16 H GLU 16 -2.154 -8.908 2.371 95 HA GLU 16 HA GLU 16 -1.559 -11.145 4.152 96 HB2 GLU 16 1HB GLU 16 -1.158 -12.699 2.368 97 HB3 GLU 16 2HB GLU 16 -2.785 -12.061 2.179 98 HG2 GLU 16 1HG GLU 16 -1.954 -10.507 0.466 99 HG3 GLU 16 2HG GLU 16 -0.347 -11.213 0.630 100 H ASP 17 H ASP 17 0.659 -11.788 4.131 101 HA ASP 17 HA ASP 17 2.454 -9.609 3.797 102 HB2 ASP 17 1HB ASP 17 4.082 -10.980 4.782 103 HB3 ASP 17 2HB ASP 17 2.575 -11.550 5.492 104 H VAL 18 H VAL 18 4.319 -9.511 2.444 105 HA VAL 18 HA VAL 18 4.376 -11.286 0.127 106 HB VAL 18 HB VAL 18 4.023 -8.297 -0.063 107 HG11 VAL 18 1HG1 VAL 18 5.097 -10.258 -2.056 108 HG12 VAL 18 2HG1 VAL 18 4.235 -8.812 -2.584 109 HG13 VAL 18 3HG1 VAL 18 5.707 -8.661 -1.624 110 HG21 VAL 18 1HG2 VAL 18 2.444 -10.675 -1.002 111 HG22 VAL 18 2HG2 VAL 18 1.919 -9.344 0.029 112 HG23 VAL 18 3HG2 VAL 18 2.215 -9.066 -1.687 113 H GLN 19 H GLN 19 6.368 -11.324 -0.968 114 HA GLN 19 HA GLN 19 8.542 -9.712 0.138 115 HB2 GLN 19 1HB GLN 19 9.853 -11.478 0.828 116 HB3 GLN 19 2HB GLN 19 8.252 -12.069 1.251 117 HG2 GLN 19 1HG GLN 19 8.217 -13.292 -0.924 118 HG3 GLN 19 2HG GLN 19 9.901 -12.822 -1.146 119 HE21 GLN 19 1HE2 GLN 19 11.404 -14.126 -0.369 120 HE22 GLN 19 2HE2 GLN 19 11.148 -15.395 0.775 121 H VAL 20 H VAL 20 9.732 -8.893 -1.446 122 HA VAL 20 HA VAL 20 10.110 -10.431 -3.912 123 HB VAL 20 HB VAL 20 9.714 -8.440 -5.299 124 HG11 VAL 20 1HG1 VAL 20 7.160 -8.549 -3.872 125 HG12 VAL 20 2HG1 VAL 20 7.549 -8.972 -5.541 126 HG13 VAL 20 3HG1 VAL 20 7.849 -10.129 -4.243 127 HG21 VAL 20 1HG2 VAL 20 8.405 -6.555 -4.187 128 HG22 VAL 20 2HG2 VAL 20 8.999 -7.201 -2.657 129 HG23 VAL 20 3HG2 VAL 20 10.139 -6.623 -3.871 130 H TYR 21 H TYR 21 11.856 -9.529 -5.279 131 HA TYR 21 HA TYR 21 14.101 -8.794 -3.623 132 HB2 TYR 21 1HB TYR 21 13.767 -9.549 -6.511 133 HB3 TYR 21 2HB TYR 21 15.282 -8.862 -5.937 134 HD1 TYR 21 1HD TYR 21 12.913 -11.365 -4.483 135 HD2 TYR 21 2HD TYR 21 16.878 -10.518 -5.774 136 HE1 TYR 21 1HE TYR 21 13.629 -13.592 -3.725 137 HE2 TYR 21 2HE TYR 21 17.605 -12.744 -5.020 138 HH TYR 21 HH TYR 21 16.457 -14.477 -3.030 139 H ASP 22 H ASP 22 15.666 -7.110 -4.557 140 HA ASP 22 HA ASP 22 14.504 -4.584 -4.383 141 HB2 ASP 22 1HB ASP 22 16.633 -3.732 -4.648 142 HB3 ASP 22 2HB ASP 22 17.004 -5.387 -4.171 143 H GLY 23 H GLY 23 13.890 -3.044 -5.863 144 HA2 GLY 23 1HA GLY 23 13.435 -2.120 -7.948 145 HA3 GLY 23 2HA GLY 23 14.207 -3.508 -8.701 146 H GLU 24 H GLU 24 12.661 -5.531 -7.439 147 HA GLU 24 HA GLU 24 10.592 -5.876 -9.212 148 HB2 GLU 24 1HB GLU 24 10.711 -6.914 -6.375 149 HB3 GLU 24 2HB GLU 24 9.704 -7.560 -7.662 150 HG2 GLU 24 1HG GLU 24 12.712 -7.552 -7.586 151 HG3 GLU 24 2HG GLU 24 11.659 -8.942 -7.331 152 H ASP 25 H ASP 25 8.203 -6.206 -8.401 153 HA ASP 25 HA ASP 25 7.383 -3.723 -7.039 154 HB2 ASP 25 1HB ASP 25 5.295 -3.885 -8.471 155 HB3 ASP 25 2HB ASP 25 6.779 -3.469 -9.325 156 H ALA 26 H ALA 26 6.019 -3.906 -5.365 157 HA ALA 26 HA ALA 26 5.136 -6.599 -4.629 158 HB1 ALA 26 1HB ALA 26 6.111 -4.337 -3.169 159 HB2 ALA 26 2HB ALA 26 4.518 -4.795 -2.565 160 HB3 ALA 26 3HB ALA 26 5.819 -5.985 -2.610 161 H VAL 27 H VAL 27 2.983 -6.916 -3.760 162 HA VAL 27 HA VAL 27 0.995 -4.943 -4.642 163 HB VAL 27 HB VAL 27 0.783 -7.904 -5.207 164 HG11 VAL 27 1HG1 VAL 27 -1.284 -6.302 -4.735 165 HG12 VAL 27 2HG1 VAL 27 -1.024 -5.897 -6.433 166 HG13 VAL 27 3HG1 VAL 27 -1.337 -7.568 -5.961 167 HG21 VAL 27 1HG2 VAL 27 0.967 -5.753 -7.284 168 HG22 VAL 27 2HG2 VAL 27 2.423 -6.470 -6.593 169 HG23 VAL 27 3HG2 VAL 27 1.259 -7.485 -7.446 170 H PHE 28 H PHE 28 -0.716 -4.702 -3.302 171 HA PHE 28 HA PHE 28 -1.237 -6.709 -1.249 172 HB2 PHE 28 1HB PHE 28 -0.518 -3.834 -0.666 173 HB3 PHE 28 2HB PHE 28 -1.316 -4.884 0.500 174 HD1 PHE 28 1HD PHE 28 -0.119 -7.116 1.038 175 HD2 PHE 28 2HD PHE 28 1.787 -3.758 -0.754 176 HE1 PHE 28 1HE PHE 28 2.069 -7.975 1.765 177 HE2 PHE 28 2HE PHE 28 3.978 -4.612 -0.030 178 HZ PHE 28 HZ PHE 28 4.122 -6.723 1.230 179 H SER 29 H SER 29 -3.320 -7.146 -1.511 180 HA SER 29 HA SER 29 -5.207 -4.904 -1.715 181 HB2 SER 29 1HB SER 29 -6.564 -6.499 -3.255 182 HB3 SER 29 2HB SER 29 -5.203 -5.615 -3.946 183 HG SER 29 HG SER 29 -5.553 -8.178 -4.015 184 H LEU 30 H LEU 30 -7.437 -5.516 -1.132 185 HA LEU 30 HA LEU 30 -7.647 -7.901 0.548 186 HB2 LEU 30 1HB LEU 30 -8.658 -6.608 2.368 187 HB3 LEU 30 2HB LEU 30 -6.979 -6.158 2.076 188 HG LEU 30 HG LEU 30 -8.155 -4.270 0.611 189 HD11 LEU 30 1HD1 LEU 30 -10.094 -4.230 2.827 190 HD12 LEU 30 2HD1 LEU 30 -10.384 -5.434 1.573 191 HD13 LEU 30 3HD1 LEU 30 -10.274 -3.727 1.146 192 HD21 LEU 30 1HD2 LEU 30 -8.120 -2.863 2.744 193 HD22 LEU 30 2HD2 LEU 30 -6.620 -3.662 2.271 194 HD23 LEU 30 3HD2 LEU 30 -7.612 -4.341 3.563 195 H ASP 31 H ASP 31 -10.009 -8.028 1.424 196 HA ASP 31 HA ASP 31 -11.850 -7.185 -0.717 197 HB2 ASP 31 1HB ASP 31 -11.927 -9.814 0.780 198 HB3 ASP 31 2HB ASP 31 -13.035 -9.307 -0.491 199 H LEU 32 H LEU 32 -13.891 -6.531 -0.113 200 HA LEU 32 HA LEU 32 -14.469 -6.463 2.770 201 HB2 LEU 32 1HB LEU 32 -14.940 -4.187 0.852 202 HB3 LEU 32 2HB LEU 32 -15.294 -4.197 2.578 203 HG LEU 32 HG LEU 32 -12.566 -4.225 1.290 204 HD11 LEU 32 1HD1 LEU 32 -13.183 -2.030 1.192 205 HD12 LEU 32 2HD1 LEU 32 -12.521 -2.085 2.825 206 HD13 LEU 32 3HD1 LEU 32 -14.266 -2.154 2.579 207 HD21 LEU 32 1HD2 LEU 32 -13.441 -5.075 3.917 208 HD22 LEU 32 2HD2 LEU 32 -12.292 -3.741 4.007 209 HD23 LEU 32 3HD2 LEU 32 -11.859 -5.222 3.151 210 H SER 33 H SER 33 -16.748 -6.156 3.283 211 HA SER 33 HA SER 33 -18.414 -7.702 1.508 212 HB2 SER 33 1HB SER 33 -18.371 -7.814 4.086 213 HB3 SER 33 2HB SER 33 -19.354 -6.350 4.031 214 HG SER 33 HG SER 33 -20.667 -7.736 2.470 215 H THR 34 H THR 34 -17.859 -4.380 2.170 216 HA THR 34 HA THR 34 -19.920 -3.649 0.237 217 HB THR 34 HB THR 34 -20.963 -3.415 2.489 218 HG1 THR 34 1HG THR 34 -20.532 -0.855 1.340 219 HG21 THR 34 1HG2 THR 34 -19.391 -0.992 3.087 220 HG22 THR 34 2HG2 THR 34 -18.552 -2.525 3.331 221 HG23 THR 34 3HG2 THR 34 -20.066 -2.204 4.175 222 H ILE 35 H ILE 35 -19.676 -1.421 -0.549 223 HA ILE 35 HA ILE 35 -16.951 -0.827 -1.101 224 HB ILE 35 HB ILE 35 -19.311 0.984 -1.599 225 HG12 ILE 35 1HG1 ILE 35 -18.219 -1.070 -3.519 226 HG13 ILE 35 2HG1 ILE 35 -19.571 -1.412 -2.445 227 HG21 ILE 35 1HG2 ILE 35 -17.480 2.253 -2.120 228 HG22 ILE 35 2HG2 ILE 35 -16.498 0.855 -2.555 229 HG23 ILE 35 3HG2 ILE 35 -17.741 1.438 -3.662 230 HD11 ILE 35 1HD1 ILE 35 -19.979 -0.613 -4.891 231 HD12 ILE 35 2HD1 ILE 35 -20.993 -0.019 -3.576 232 HD13 ILE 35 3HD1 ILE 35 -19.687 0.985 -4.205 233 H ILE 36 H ILE 36 -15.749 1.024 -0.543 234 HA ILE 36 HA ILE 36 -16.661 3.011 1.251 235 HB ILE 36 HB ILE 36 -16.540 1.044 2.806 236 HG12 ILE 36 1HG1 ILE 36 -14.472 3.055 3.627 237 HG13 ILE 36 2HG1 ILE 36 -16.132 3.572 3.354 238 HG21 ILE 36 1HG2 ILE 36 -14.716 -0.209 2.052 239 HG22 ILE 36 2HG2 ILE 36 -13.652 1.196 2.014 240 HG23 ILE 36 3HG2 ILE 36 -14.151 0.510 3.560 241 HD11 ILE 36 1HD1 ILE 36 -16.382 3.093 5.522 242 HD12 ILE 36 2HD1 ILE 36 -16.510 1.425 4.961 243 HD13 ILE 36 3HD1 ILE 36 -14.968 2.039 5.558 244 H GLN 37 H GLN 37 -15.013 4.548 1.803 245 HA GLN 37 HA GLN 37 -12.606 4.296 0.123 246 HB2 GLN 37 1HB GLN 37 -14.170 6.033 -0.657 247 HB3 GLN 37 2HB GLN 37 -14.079 6.814 0.915 248 HG2 GLN 37 1HG GLN 37 -11.539 6.919 0.447 249 HG3 GLN 37 2HG GLN 37 -12.009 6.642 -1.229 250 HE21 GLN 37 1HE2 GLN 37 -10.712 8.920 -0.617 251 HE22 GLN 37 2HE2 GLN 37 -11.783 10.273 -0.703 252 H GLY 38 H GLY 38 -11.151 3.539 1.603 253 HA2 GLY 38 1HA GLY 38 -10.875 4.995 4.139 254 HA3 GLY 38 2HA GLY 38 -10.182 3.421 3.779 255 H THR 39 H THR 39 -8.119 4.055 4.442 256 HA THR 39 HA THR 39 -6.698 5.687 2.465 257 HB THR 39 HB THR 39 -6.381 6.017 5.455 258 HG1 THR 39 1HG THR 39 -7.851 7.342 3.532 259 HG21 THR 39 1HG2 THR 39 -4.750 7.728 4.931 260 HG22 THR 39 2HG2 THR 39 -4.991 7.472 3.202 261 HG23 THR 39 3HG2 THR 39 -4.259 6.206 4.189 262 H TRP 40 H TRP 40 -4.489 5.190 2.225 263 HA TRP 40 HA TRP 40 -3.790 2.518 3.205 264 HB2 TRP 40 1HB TRP 40 -2.970 4.148 0.829 265 HB3 TRP 40 2HB TRP 40 -1.906 2.870 1.412 266 HD1 TRP 40 HD TRP 40 -5.143 3.435 -0.468 267 HE1 TRP 40 1HE TRP 40 -6.009 1.181 -1.359 268 HE3 TRP 40 3HE TRP 40 -1.939 0.304 1.995 269 HZ2 TRP 40 2HZ TRP 40 -5.414 -1.562 -1.057 270 HZ3 TRP 40 3HZ TRP 40 -2.155 -2.122 1.640 271 HH2 TRP 40 HH TRP 40 -3.857 -3.033 0.145 272 H PHE 41 H PHE 41 -1.779 2.078 4.149 273 HA PHE 41 HA PHE 41 -0.280 4.438 5.075 274 HB2 PHE 41 1HB PHE 41 -1.311 2.091 6.626 275 HB3 PHE 41 2HB PHE 41 0.170 2.888 7.146 276 HD1 PHE 41 2HD PHE 41 -3.132 4.068 5.860 277 HD2 PHE 41 1HD PHE 41 -0.184 4.285 8.921 278 HE1 PHE 41 2HE PHE 41 -4.467 5.779 7.019 279 HE2 PHE 41 1HE PHE 41 -1.514 5.996 10.086 280 HZ PHE 41 HZ PHE 41 -3.658 6.746 9.134 281 H LEU 42 H LEU 42 1.956 3.925 5.772 282 HA LEU 42 HA LEU 42 3.115 1.497 4.682 283 HB2 LEU 42 1HB LEU 42 2.994 3.168 2.812 284 HB3 LEU 42 2HB LEU 42 4.087 4.189 3.744 285 HG LEU 42 HG LEU 42 5.865 2.609 3.524 286 HD11 LEU 42 1HD1 LEU 42 3.696 0.794 2.579 287 HD12 LEU 42 2HD1 LEU 42 4.998 0.492 3.729 288 HD13 LEU 42 3HD1 LEU 42 5.345 0.552 2.001 289 HD21 LEU 42 1HD2 LEU 42 6.250 2.681 1.179 290 HD22 LEU 42 2HD2 LEU 42 5.333 4.128 1.597 291 HD23 LEU 42 3HD2 LEU 42 4.523 2.760 0.832 292 H ASN 43 H ASN 43 4.460 0.779 6.183 293 HA ASN 43 HA ASN 43 6.013 0.693 7.843 294 HB2 ASN 43 1HB ASN 43 6.711 3.444 6.794 295 HB3 ASN 43 2HB ASN 43 7.672 2.554 7.972 296 HD21 ASN 43 1HD2 ASN 43 6.001 1.481 5.043 297 HD22 ASN 43 2HD2 ASN 43 7.410 0.857 4.260 298 H GLY 44 H GLY 44 3.323 1.701 8.358 299 HA2 GLY 44 1HA GLY 44 2.408 2.148 10.498 300 HA3 GLY 44 2HA GLY 44 3.897 2.972 10.934 301 H GLU 45 H GLU 45 4.023 4.595 8.550 302 HA GLU 45 HA GLU 45 2.280 6.712 9.414 303 HB2 GLU 45 1HB GLU 45 3.420 8.076 7.771 304 HB3 GLU 45 2HB GLU 45 4.602 7.133 8.669 305 HG2 GLU 45 1HG GLU 45 5.202 5.904 6.867 306 HG3 GLU 45 2HG GLU 45 3.592 5.959 6.152 307 H GLU 46 H GLU 46 1.302 8.061 7.454 308 HA GLU 46 HA GLU 46 -0.445 6.186 6.010 309 HB2 GLU 46 1HB GLU 46 -1.769 7.540 7.424 310 HB3 GLU 46 2HB GLU 46 -0.874 8.994 7.005 311 HG2 GLU 46 1HG GLU 46 -1.779 8.799 4.693 312 HG3 GLU 46 2HG GLU 46 -2.791 7.471 5.259 313 H LEU 47 H LEU 47 -1.086 6.722 3.841 314 HA LEU 47 HA LEU 47 1.011 8.201 2.403 315 HB2 LEU 47 1HB LEU 47 -0.845 6.023 1.457 316 HB3 LEU 47 2HB LEU 47 0.306 6.877 0.432 317 HG LEU 47 HG LEU 47 1.060 5.165 2.799 318 HD11 LEU 47 1HD1 LEU 47 0.081 4.281 0.386 319 HD12 LEU 47 2HD1 LEU 47 1.096 3.360 1.494 320 HD13 LEU 47 3HD1 LEU 47 1.828 4.239 0.152 321 HD21 LEU 47 1HD2 LEU 47 2.599 6.724 0.760 322 HD22 LEU 47 2HD2 LEU 47 3.298 5.286 1.505 323 HD23 LEU 47 3HD2 LEU 47 2.813 6.652 2.510 324 H LYS 48 H LYS 48 0.359 9.390 0.474 325 HA LYS 48 HA LYS 48 -2.418 10.361 0.593 326 HB2 LYS 48 1HB LYS 48 -1.671 12.626 0.207 327 HB3 LYS 48 2HB LYS 48 -0.858 11.989 1.631 328 HG2 LYS 48 1HG LYS 48 1.073 11.425 0.058 329 HG3 LYS 48 2HG LYS 48 0.267 12.483 -1.103 330 HD2 LYS 48 1HD LYS 48 0.239 14.180 0.868 331 HD3 LYS 48 2HD LYS 48 1.516 13.158 1.532 332 HE2 LYS 48 1HE LYS 48 1.652 14.178 -1.284 333 HE3 LYS 48 2HE LYS 48 2.179 15.176 0.070 334 HZ1 LYS 48 1HZ LYS 48 3.496 12.967 -1.173 335 HZ2 LYS 48 2HZ LYS 48 3.377 12.761 0.502 336 HZ3 LYS 48 3HZ LYS 48 4.121 14.143 -0.130 337 H SER 49 H SER 49 -3.402 9.858 -1.241 338 HA SER 49 HA SER 49 -2.018 9.136 -3.612 339 HB2 SER 49 1HB SER 49 -4.187 8.161 -3.113 340 HB3 SER 49 2HB SER 49 -4.945 9.752 -3.144 341 HG SER 49 HG SER 49 -3.675 9.470 -5.432 342 H ASN 50 H ASN 50 -0.699 11.032 -3.937 343 HA ASN 50 HA ASN 50 -1.789 12.799 -5.866 344 HB2 ASN 50 1HB ASN 50 -2.516 13.686 -3.480 345 HB3 ASN 50 2HB ASN 50 -0.875 14.324 -3.465 346 HD21 ASN 50 1HD2 ASN 50 -3.672 15.498 -3.716 347 HD22 ASN 50 2HD2 ASN 50 -3.541 16.581 -5.057 348 H GLU 51 H GLU 51 -0.188 14.200 -6.803 349 HA GLU 51 HA GLU 51 2.325 13.053 -7.080 350 HB2 GLU 51 1HB GLU 51 2.975 15.097 -8.242 351 HB3 GLU 51 2HB GLU 51 1.356 14.603 -8.716 352 HG2 GLU 51 1HG GLU 51 0.441 16.262 -7.114 353 HG3 GLU 51 2HG GLU 51 2.088 16.813 -6.812 354 HA PRO 52 HA PRO 52 4.543 14.299 -3.484 355 HB2 PRO 52 1HB PRO 52 7.068 14.028 -4.442 356 HB3 PRO 52 2HB PRO 52 6.045 12.648 -4.028 357 HG2 PRO 52 1HG PRO 52 6.601 13.857 -6.710 358 HG3 PRO 52 2HG PRO 52 6.524 12.146 -6.248 359 HD2 PRO 52 1HD PRO 52 4.477 13.415 -7.486 360 HD3 PRO 52 2HD PRO 52 4.221 12.102 -6.319 361 H GLU 53 H GLU 53 4.133 16.174 -6.132 362 HA GLU 53 HA GLU 53 6.113 18.038 -6.286 363 HB2 GLU 53 1HB GLU 53 3.792 17.913 -7.464 364 HB3 GLU 53 2HB GLU 53 3.261 18.958 -6.154 365 HG2 GLU 53 1HG GLU 53 5.687 19.705 -7.708 366 HG3 GLU 53 2HG GLU 53 4.094 19.959 -8.417 367 H GLY 54 H GLY 54 7.193 18.492 -4.397 368 HA2 GLY 54 1HA GLY 54 6.644 20.672 -2.909 369 HA3 GLY 54 2HA GLY 54 5.754 19.416 -2.060 370 H GLN 55 H GLN 55 6.840 17.939 -0.818 371 HA GLN 55 HA GLN 55 9.640 18.583 -0.285 372 HB2 GLN 55 1HB GLN 55 7.717 16.835 1.259 373 HB3 GLN 55 2HB GLN 55 9.341 17.273 1.770 374 HG2 GLN 55 1HG GLN 55 7.718 18.621 2.929 375 HG3 GLN 55 2HG GLN 55 8.672 19.629 1.842 376 HE21 GLN 55 1HE2 GLN 55 7.252 21.235 1.469 377 HE22 GLN 55 2HE2 GLN 55 5.712 21.023 0.716 378 H VAL 56 H VAL 56 7.663 15.626 -0.591 379 HA VAL 56 HA VAL 56 9.781 13.828 -0.826 380 HB VAL 56 HB VAL 56 7.031 13.606 -2.058 381 HG11 VAL 56 1HG1 VAL 56 7.752 11.707 -2.957 382 HG12 VAL 56 2HG1 VAL 56 9.331 11.894 -2.192 383 HG13 VAL 56 3HG1 VAL 56 8.022 11.086 -1.329 384 HG21 VAL 56 1HG2 VAL 56 6.740 13.922 0.262 385 HG22 VAL 56 2HG2 VAL 56 6.625 12.181 0.002 386 HG23 VAL 56 3HG2 VAL 56 8.108 12.880 0.654 387 H GLU 57 H GLU 57 11.039 13.137 -2.473 388 HA GLU 57 HA GLU 57 11.571 14.743 -4.659 389 HB2 GLU 57 1HB GLU 57 12.028 11.782 -4.802 390 HB3 GLU 57 2HB GLU 57 13.048 13.089 -5.387 391 HG2 GLU 57 1HG GLU 57 14.249 12.487 -3.567 392 HG3 GLU 57 2HG GLU 57 13.171 13.656 -2.807 393 HA PRO 58 HA PRO 58 8.494 13.937 -7.683 394 HB2 PRO 58 1HB PRO 58 9.934 14.189 -9.970 395 HB3 PRO 58 2HB PRO 58 9.493 15.568 -8.956 396 HG2 PRO 58 1HG PRO 58 12.078 14.064 -9.089 397 HG3 PRO 58 2HG PRO 58 11.805 15.814 -8.991 398 HD2 PRO 58 1HD PRO 58 12.485 14.323 -6.836 399 HD3 PRO 58 2HD PRO 58 11.447 15.758 -6.715 400 H GLY 59 H GLY 59 11.127 11.855 -7.217 401 HA2 GLY 59 1HA GLY 59 9.703 9.714 -8.603 402 HA3 GLY 59 2HA GLY 59 11.349 10.038 -9.126 403 H ALA 60 H ALA 60 9.797 9.903 -5.921 404 HA ALA 60 HA ALA 60 12.053 8.438 -4.865 405 HB1 ALA 60 1HB ALA 60 9.699 8.685 -3.148 406 HB2 ALA 60 2HB ALA 60 11.372 9.161 -2.859 407 HB3 ALA 60 3HB ALA 60 10.299 10.221 -3.772 408 H LEU 61 H LEU 61 8.533 7.828 -4.832 409 HA LEU 61 HA LEU 61 9.070 4.999 -5.365 410 HB2 LEU 61 1HB LEU 61 7.805 4.208 -3.569 411 HB3 LEU 61 2HB LEU 61 8.826 5.468 -2.881 412 HG LEU 61 HG LEU 61 6.065 6.188 -3.735 413 HD11 LEU 61 1HD1 LEU 61 5.995 4.014 -2.414 414 HD12 LEU 61 2HD1 LEU 61 5.045 5.363 -1.792 415 HD13 LEU 61 3HD1 LEU 61 6.592 4.957 -1.048 416 HD21 LEU 61 1HD2 LEU 61 7.647 7.887 -2.930 417 HD22 LEU 61 2HD2 LEU 61 7.796 7.012 -1.406 418 HD23 LEU 61 3HD2 LEU 61 6.249 7.724 -1.867 419 H ARG 62 H ARG 62 7.214 3.823 -6.147 420 HA ARG 62 HA ARG 62 5.122 5.573 -7.263 421 HB2 ARG 62 1HB ARG 62 6.737 3.405 -8.549 422 HB3 ARG 62 2HB ARG 62 5.096 3.703 -9.108 423 HG2 ARG 62 1HG ARG 62 7.195 5.848 -8.943 424 HG3 ARG 62 2HG ARG 62 6.910 4.871 -10.385 425 HD2 ARG 62 1HD ARG 62 4.584 6.222 -9.119 426 HD3 ARG 62 2HD ARG 62 5.728 7.213 -10.023 427 HE ARG 62 HE ARG 62 5.200 5.193 -11.732 428 HH11 ARG 62 2HH1 ARG 62 3.169 7.351 -9.903 429 HH12 ARG 62 1HH1 ARG 62 1.883 7.334 -11.064 430 HH21 ARG 62 2HH2 ARG 62 3.513 5.163 -13.268 431 HH22 ARG 62 1HH2 ARG 62 2.079 6.089 -12.977 432 H TYR 63 H TYR 63 3.246 5.136 -6.322 433 HA TYR 63 HA TYR 63 2.617 2.327 -5.684 434 HB2 TYR 63 1HB TYR 63 1.151 3.241 -3.873 435 HB3 TYR 63 2HB TYR 63 2.867 3.543 -3.624 436 HD1 TYR 63 2HD TYR 63 -0.372 5.070 -4.418 437 HD2 TYR 63 1HD TYR 63 3.763 5.788 -3.716 438 HE1 TYR 63 2HE TYR 63 -0.837 7.473 -4.173 439 HE2 TYR 63 1HE TYR 63 3.309 8.193 -3.467 440 HH TYR 63 HH TYR 63 1.552 9.823 -4.223 441 H ARG 64 H ARG 64 0.771 1.497 -6.472 442 HA ARG 64 HA ARG 64 -1.014 3.325 -7.939 443 HB2 ARG 64 1HB ARG 64 0.286 1.630 -9.288 444 HB3 ARG 64 2HB ARG 64 -0.637 0.378 -8.467 445 HG2 ARG 64 1HG ARG 64 -2.705 1.670 -9.324 446 HG3 ARG 64 2HG ARG 64 -1.564 2.412 -10.448 447 HD2 ARG 64 1HD ARG 64 -1.539 -0.547 -10.167 448 HD3 ARG 64 2HD ARG 64 -2.876 0.192 -11.047 449 HE ARG 64 HE ARG 64 -0.101 0.063 -11.869 450 HH11 ARG 64 2HH1 ARG 64 -3.231 1.508 -12.352 451 HH12 ARG 64 1HH1 ARG 64 -2.894 2.009 -13.976 452 HH21 ARG 64 2HH2 ARG 64 0.355 0.718 -14.006 453 HH22 ARG 64 1HH2 ARG 64 -0.854 1.559 -14.916 454 H ILE 65 H ILE 65 -2.766 3.705 -6.745 455 HA ILE 65 HA ILE 65 -3.893 1.541 -5.119 456 HB ILE 65 HB ILE 65 -4.504 4.499 -5.097 457 HG12 ILE 65 1HG1 ILE 65 -3.143 2.856 -2.962 458 HG13 ILE 65 2HG1 ILE 65 -2.248 3.708 -4.216 459 HG21 ILE 65 1HG2 ILE 65 -6.005 4.145 -3.354 460 HG22 ILE 65 2HG2 ILE 65 -6.359 2.830 -4.474 461 HG23 ILE 65 3HG2 ILE 65 -5.394 2.522 -3.030 462 HD11 ILE 65 1HD1 ILE 65 -4.209 5.311 -2.717 463 HD12 ILE 65 2HD1 ILE 65 -2.800 4.751 -1.816 464 HD13 ILE 65 3HD1 ILE 65 -2.587 5.720 -3.273 465 H GLU 66 H GLU 66 -5.355 0.344 -6.146 466 HA GLU 66 HA GLU 66 -7.242 1.688 -7.965 467 HB2 GLU 66 1HB GLU 66 -6.465 -1.233 -7.914 468 HB3 GLU 66 2HB GLU 66 -7.531 -0.460 -9.079 469 HG2 GLU 66 1HG GLU 66 -4.660 0.342 -8.717 470 HG3 GLU 66 2HG GLU 66 -5.175 -0.912 -9.844 471 H GLN 67 H GLN 67 -9.250 1.887 -7.252 472 HA GLN 67 HA GLN 67 -10.219 -0.019 -5.225 473 HB2 GLN 67 1HB GLN 67 -9.975 2.225 -4.306 474 HB3 GLN 67 2HB GLN 67 -10.956 2.888 -5.606 475 HG2 GLN 67 1HG GLN 67 -12.110 2.593 -3.397 476 HG3 GLN 67 2HG GLN 67 -12.913 1.866 -4.788 477 HE21 GLN 67 1HE2 GLN 67 -14.044 0.502 -3.344 478 HE22 GLN 67 2HE2 GLN 67 -13.283 -0.886 -2.653 479 H LYS 68 H LYS 68 -11.543 -1.430 -6.159 480 HA LYS 68 HA LYS 68 -13.602 -0.396 -7.992 481 HB2 LYS 68 1HB LYS 68 -11.728 -2.680 -8.337 482 HB3 LYS 68 2HB LYS 68 -13.377 -2.896 -8.910 483 HG2 LYS 68 1HG LYS 68 -13.184 -1.160 -10.470 484 HG3 LYS 68 2HG LYS 68 -11.732 -0.516 -9.699 485 HD2 LYS 68 1HD LYS 68 -10.886 -1.609 -11.565 486 HD3 LYS 68 2HD LYS 68 -10.690 -2.810 -10.287 487 HE2 LYS 68 1HE LYS 68 -11.628 -4.088 -11.949 488 HE3 LYS 68 2HE LYS 68 -13.067 -3.581 -11.067 489 HZ1 LYS 68 1HZ LYS 68 -12.178 -1.844 -13.230 490 HZ2 LYS 68 2HZ LYS 68 -13.746 -2.259 -12.749 491 HZ3 LYS 68 3HZ LYS 68 -12.836 -3.336 -13.683 492 H GLY 69 H GLY 69 -14.941 -0.285 -6.078 493 HA2 GLY 69 1HA GLY 69 -16.550 -1.097 -4.655 494 HA3 GLY 69 2HA GLY 69 -16.703 -2.417 -5.805 495 H LEU 70 H LEU 70 -15.866 -1.575 -2.668 496 HA LEU 70 HA LEU 70 -14.631 -2.616 -1.010 497 HB2 LEU 70 1HB LEU 70 -15.499 -5.120 -0.944 498 HB3 LEU 70 2HB LEU 70 -16.515 -3.754 -0.489 499 HG LEU 70 HG LEU 70 -16.596 -4.692 -3.313 500 HD11 LEU 70 1HD1 LEU 70 -17.971 -6.098 -1.028 501 HD12 LEU 70 2HD1 LEU 70 -16.712 -6.771 -2.063 502 HD13 LEU 70 3HD1 LEU 70 -18.288 -6.367 -2.742 503 HD21 LEU 70 1HD2 LEU 70 -18.709 -3.758 -3.315 504 HD22 LEU 70 2HD2 LEU 70 -17.835 -2.690 -2.216 505 HD23 LEU 70 3HD2 LEU 70 -18.904 -3.936 -1.571 506 H GLN 71 H GLN 71 -13.124 -2.511 -3.425 507 HA GLN 71 HA GLN 71 -11.389 -4.812 -2.964 508 HB2 GLN 71 1HB GLN 71 -12.922 -5.285 -4.926 509 HB3 GLN 71 2HB GLN 71 -12.121 -3.963 -5.765 510 HG2 GLN 71 1HG GLN 71 -9.974 -5.142 -5.518 511 HG3 GLN 71 2HG GLN 71 -10.826 -6.486 -4.759 512 HE21 GLN 71 1HE2 GLN 71 -9.836 -5.073 -7.666 513 HE22 GLN 71 2HE2 GLN 71 -10.650 -6.146 -8.749 514 H HIS 72 H HIS 72 -9.643 -3.769 -2.223 515 HA HIS 72 HA HIS 72 -8.673 -1.434 -3.730 516 HB2 HIS 72 1HB HIS 72 -8.012 -2.234 -0.889 517 HB3 HIS 72 2HB HIS 72 -7.489 -0.764 -1.706 518 HD2 HIS 72 2HD HIS 72 -10.963 -2.318 -0.600 519 HE1 HIS 72 1HE HIS 72 -11.175 1.917 -0.469 520 HE2 HIS 72 2HE HIS 72 -12.360 -0.242 0.057 521 H ARG 73 H ARG 73 -6.528 -1.322 -4.370 522 HA ARG 73 HA ARG 73 -4.811 -3.630 -3.858 523 HB2 ARG 73 1HB ARG 73 -6.171 -3.903 -6.028 524 HB3 ARG 73 2HB ARG 73 -5.157 -2.617 -6.669 525 HG2 ARG 73 1HG ARG 73 -3.169 -3.962 -6.260 526 HG3 ARG 73 2HG ARG 73 -4.171 -5.247 -5.583 527 HD2 ARG 73 1HD ARG 73 -5.329 -5.448 -7.748 528 HD3 ARG 73 2HD ARG 73 -4.269 -4.206 -8.412 529 HE ARG 73 HE ARG 73 -2.630 -6.185 -7.380 530 HH11 ARG 73 2HH1 ARG 73 -5.057 -5.882 -9.858 531 HH12 ARG 73 1HH1 ARG 73 -4.370 -7.114 -10.864 532 HH21 ARG 73 2HH2 ARG 73 -1.715 -7.808 -8.697 533 HH22 ARG 73 1HH2 ARG 73 -2.470 -8.209 -10.202 534 H LEU 74 H LEU 74 -2.893 -2.910 -3.234 535 HA LEU 74 HA LEU 74 -1.970 -0.301 -4.248 536 HB2 LEU 74 1HB LEU 74 -2.463 -0.238 -1.871 537 HB3 LEU 74 2HB LEU 74 -1.411 -1.625 -1.598 538 HG LEU 74 HG LEU 74 0.485 -0.156 -2.453 539 HD11 LEU 74 1HD1 LEU 74 0.187 2.219 -2.379 540 HD12 LEU 74 2HD1 LEU 74 -1.486 2.042 -1.853 541 HD13 LEU 74 3HD1 LEU 74 -1.016 1.542 -3.477 542 HD21 LEU 74 1HD2 LEU 74 0.935 0.645 -0.304 543 HD22 LEU 74 2HD2 LEU 74 -0.111 -0.749 -0.035 544 HD23 LEU 74 3HD2 LEU 74 -0.773 0.884 0.065 545 H ILE 75 H ILE 75 -0.748 -0.991 -5.961 546 HA ILE 75 HA ILE 75 1.272 -3.054 -5.520 547 HB ILE 75 HB ILE 75 0.597 -1.576 -8.066 548 HG12 ILE 75 1HG1 ILE 75 -0.302 -4.057 -8.513 549 HG13 ILE 75 2HG1 ILE 75 -0.534 -4.004 -6.769 550 HG21 ILE 75 1HG2 ILE 75 1.890 -3.246 -9.195 551 HG22 ILE 75 2HG2 ILE 75 2.883 -2.551 -7.915 552 HG23 ILE 75 3HG2 ILE 75 2.141 -4.136 -7.694 553 HD11 ILE 75 1HD1 ILE 75 -2.071 -2.257 -6.914 554 HD12 ILE 75 2HD1 ILE 75 -1.583 -1.846 -8.559 555 HD13 ILE 75 3HD1 ILE 75 -2.487 -3.328 -8.252 556 H LEU 76 H LEU 76 3.164 -2.433 -4.723 557 HA LEU 76 HA LEU 76 4.148 0.269 -5.283 558 HB2 LEU 76 1HB LEU 76 5.115 -1.783 -3.298 559 HB3 LEU 76 2HB LEU 76 5.735 -0.142 -3.464 560 HG LEU 76 HG LEU 76 2.849 -0.619 -2.814 561 HD11 LEU 76 1HD1 LEU 76 3.392 -0.516 -0.444 562 HD12 LEU 76 2HD1 LEU 76 5.113 -0.509 -0.825 563 HD13 LEU 76 3HD1 LEU 76 4.134 -1.928 -1.197 564 HD21 LEU 76 1HD2 LEU 76 4.767 1.628 -2.797 565 HD22 LEU 76 2HD2 LEU 76 3.611 1.571 -1.466 566 HD23 LEU 76 3HD2 LEU 76 3.036 1.612 -3.133 567 H HIS 77 H HIS 77 5.073 0.156 -7.281 568 HA HIS 77 HA HIS 77 6.871 -2.006 -7.966 569 HB2 HIS 77 1HB HIS 77 6.594 0.475 -9.618 570 HB3 HIS 77 2HB HIS 77 6.828 -1.191 -10.138 571 HD1 HIS 77 1HD HIS 77 4.797 -2.366 -10.945 572 HD2 HIS 77 2HD HIS 77 3.861 0.923 -8.585 573 HE1 HIS 77 1HE HIS 77 2.293 -2.156 -11.047 574 HE2 HIS 77 2HE HIS 77 1.757 -0.109 -9.681 575 H ALA 78 H ALA 78 9.068 -1.911 -8.111 576 HA ALA 78 HA ALA 78 11.205 -1.120 -7.905 577 HB1 ALA 78 1HB ALA 78 10.746 1.664 -7.355 578 HB2 ALA 78 2HB ALA 78 11.533 0.910 -8.742 579 HB3 ALA 78 3HB ALA 78 9.784 1.140 -8.738 580 H VAL 79 H VAL 79 10.253 -2.304 -5.768 581 HA VAL 79 HA VAL 79 10.303 -0.614 -3.430 582 HB VAL 79 HB VAL 79 10.131 -2.746 -2.166 583 HG11 VAL 79 1HG1 VAL 79 8.189 -2.183 -4.389 584 HG12 VAL 79 2HG1 VAL 79 7.884 -3.413 -3.161 585 HG13 VAL 79 3HG1 VAL 79 8.079 -1.724 -2.691 586 HG21 VAL 79 1HG2 VAL 79 9.455 -4.634 -4.034 587 HG22 VAL 79 2HG2 VAL 79 10.835 -3.832 -4.785 588 HG23 VAL 79 3HG2 VAL 79 10.996 -4.546 -3.180 589 H LYS 80 H LYS 80 11.894 -0.501 -1.875 590 HA LYS 80 HA LYS 80 14.531 -1.504 -2.706 591 HB2 LYS 80 1HB LYS 80 13.965 0.703 -0.725 592 HB3 LYS 80 2HB LYS 80 15.509 0.300 -1.464 593 HG2 LYS 80 1HG LYS 80 13.100 1.390 -2.906 594 HG3 LYS 80 2HG LYS 80 14.539 2.305 -2.449 595 HD2 LYS 80 1HD LYS 80 14.663 -0.137 -4.203 596 HD3 LYS 80 2HD LYS 80 14.420 1.486 -4.853 597 HE2 LYS 80 1HE LYS 80 16.522 2.221 -3.992 598 HE3 LYS 80 2HE LYS 80 16.732 0.730 -3.076 599 HZ1 LYS 80 1HZ LYS 80 17.505 1.280 -5.718 600 HZ2 LYS 80 2HZ LYS 80 16.360 0.035 -5.750 601 HZ3 LYS 80 3HZ LYS 80 17.763 -0.129 -4.818 602 H HIS 81 H HIS 81 16.004 -2.224 -1.027 603 HA HIS 81 HA HIS 81 14.678 -3.940 0.862 604 HB2 HIS 81 1HB HIS 81 17.234 -4.315 1.494 605 HB3 HIS 81 2HB HIS 81 16.522 -5.035 0.053 606 HD1 HIS 81 1HD HIS 81 17.149 -3.941 -2.244 607 HD2 HIS 81 2HD HIS 81 19.202 -2.422 1.033 608 HE1 HIS 81 1HE HIS 81 19.078 -2.641 -3.202 609 HE2 HIS 81 2HE HIS 81 20.354 -1.803 -1.198 610 H GLN 82 H GLN 82 16.167 -0.831 0.923 611 HA GLN 82 HA GLN 82 16.949 -0.651 3.597 612 HB2 GLN 82 1HB GLN 82 16.751 1.777 3.317 613 HB3 GLN 82 2HB GLN 82 17.543 1.036 1.933 614 HG2 GLN 82 1HG GLN 82 15.614 1.272 0.586 615 HG3 GLN 82 2HG GLN 82 14.615 1.701 1.974 616 HE21 GLN 82 1HE2 GLN 82 14.651 3.772 2.756 617 HE22 GLN 82 2HE2 GLN 82 15.436 5.077 1.941 618 H ASP 83 H ASP 83 13.809 -0.661 2.160 619 HA ASP 83 HA ASP 83 12.559 0.294 4.629 620 HB2 ASP 83 1HB ASP 83 11.483 -0.214 1.856 621 HB3 ASP 83 2HB ASP 83 10.438 0.135 3.230 622 H SER 84 H SER 84 13.825 -2.466 3.875 623 HA SER 84 HA SER 84 12.085 -4.522 3.750 624 HB2 SER 84 1HB SER 84 13.641 -5.835 5.150 625 HB3 SER 84 2HB SER 84 14.501 -4.849 3.968 626 HG SER 84 HG SER 84 15.565 -4.394 5.779 627 H GLY 85 H GLY 85 10.921 -5.824 5.241 628 HA2 GLY 85 1HA GLY 85 9.419 -6.143 6.947 629 HA3 GLY 85 2HA GLY 85 10.582 -5.302 7.961 630 H ALA 86 H ALA 86 8.939 -3.914 5.176 631 HA ALA 86 HA ALA 86 8.122 -1.626 6.638 632 HB1 ALA 86 1HB ALA 86 8.045 -2.533 3.887 633 HB2 ALA 86 2HB ALA 86 6.580 -1.660 4.340 634 HB3 ALA 86 3HB ALA 86 8.158 -0.896 4.535 635 H LEU 87 H LEU 87 5.852 -0.868 6.776 636 HA LEU 87 HA LEU 87 4.022 -3.099 7.372 637 HB2 LEU 87 1HB LEU 87 5.028 -1.536 9.252 638 HB3 LEU 87 2HB LEU 87 3.726 -0.470 8.731 639 HG LEU 87 HG LEU 87 2.913 -1.666 10.598 640 HD11 LEU 87 1HD1 LEU 87 1.832 -3.170 8.229 641 HD12 LEU 87 2HD1 LEU 87 1.422 -1.491 8.577 642 HD13 LEU 87 3HD1 LEU 87 1.001 -2.758 9.729 643 HD21 LEU 87 1HD2 LEU 87 2.857 -4.312 10.213 644 HD22 LEU 87 2HD2 LEU 87 4.171 -3.491 11.055 645 HD23 LEU 87 3HD2 LEU 87 4.351 -3.931 9.356 646 H VAL 88 H VAL 88 2.699 -3.149 5.646 647 HA VAL 88 HA VAL 88 1.506 -0.616 4.737 648 HB VAL 88 HB VAL 88 1.553 -3.254 3.269 649 HG11 VAL 88 1HG1 VAL 88 1.236 -0.959 1.603 650 HG12 VAL 88 2HG1 VAL 88 0.134 -2.317 1.843 651 HG13 VAL 88 3HG1 VAL 88 0.035 -0.903 2.894 652 HG21 VAL 88 1HG2 VAL 88 3.490 -1.018 3.388 653 HG22 VAL 88 2HG2 VAL 88 3.758 -2.737 3.096 654 HG23 VAL 88 3HG2 VAL 88 3.154 -1.705 1.799 655 H GLY 89 H GLY 89 -0.510 -0.224 5.358 656 HA2 GLY 89 1HA GLY 89 -2.421 -2.435 5.511 657 HA3 GLY 89 2HA GLY 89 -2.164 -1.488 6.968 658 H PHE 90 H PHE 90 -4.618 -1.799 5.484 659 HA PHE 90 HA PHE 90 -5.007 0.921 4.434 660 HB2 PHE 90 1HB PHE 90 -5.712 -0.529 2.752 661 HB3 PHE 90 2HB PHE 90 -6.372 -1.694 3.895 662 HD1 PHE 90 2HD PHE 90 -6.919 1.690 2.480 663 HD2 PHE 90 1HD PHE 90 -8.637 -1.678 4.435 664 HE1 PHE 90 2HE PHE 90 -9.161 2.650 2.156 665 HE2 PHE 90 1HE PHE 90 -10.882 -0.724 4.114 666 HZ PHE 90 HZ PHE 90 -11.146 1.444 2.974 667 H SER 91 H SER 91 -5.641 2.229 6.031 668 HA SER 91 HA SER 91 -7.358 1.250 8.160 669 HB2 SER 91 1HB SER 91 -7.016 3.475 9.161 670 HB3 SER 91 2HB SER 91 -5.479 2.723 8.733 671 HG SER 91 HG SER 91 -6.579 5.033 7.832 672 H CYS 92 H CYS 92 -9.494 1.485 8.220 673 HA CYS 92 HA CYS 92 -10.768 3.650 6.735 674 HB2 CYS 92 1HB CYS 92 -12.015 2.353 5.326 675 HB3 CYS 92 2HB CYS 92 -10.608 1.306 5.467 676 HG CYS 92 HG CYS 92 -13.447 0.944 7.344 677 HA PRO 93 HA PRO 93 -13.466 3.859 10.187 678 HB2 PRO 93 1HB PRO 93 -15.791 4.651 9.029 679 HB3 PRO 93 2HB PRO 93 -14.395 5.720 9.211 680 HG2 PRO 93 1HG PRO 93 -15.297 4.173 6.812 681 HG3 PRO 93 2HG PRO 93 -14.702 5.841 6.909 682 HD2 PRO 93 1HD PRO 93 -13.140 3.782 6.102 683 HD3 PRO 93 2HD PRO 93 -12.494 5.182 6.981 684 H GLY 94 H GLY 94 -13.371 1.486 10.483 685 HA2 GLY 94 1HA GLY 94 -15.490 0.180 11.237 686 HA3 GLY 94 2HA GLY 94 -15.747 0.064 9.502 687 H VAL 95 H VAL 95 -12.632 -0.012 9.390 688 HA VAL 95 HA VAL 95 -12.191 -2.733 10.355 689 HB VAL 95 HB VAL 95 -11.857 -1.928 7.463 690 HG11 VAL 95 1HG1 VAL 95 -9.963 -3.259 8.103 691 HG12 VAL 95 2HG1 VAL 95 -11.006 -4.438 8.901 692 HG13 VAL 95 3HG1 VAL 95 -11.055 -4.259 7.147 693 HG21 VAL 95 1HG2 VAL 95 -13.856 -3.483 8.962 694 HG22 VAL 95 2HG2 VAL 95 -14.010 -2.601 7.442 695 HG23 VAL 95 3HG2 VAL 95 -13.298 -4.214 7.457 696 H GLN 96 H GLN 96 -10.042 -3.245 10.724 697 HA GLN 96 HA GLN 96 -7.999 -1.284 10.020 698 HB2 GLN 96 1HB GLN 96 -8.489 -2.186 12.864 699 HB3 GLN 96 2HB GLN 96 -7.156 -1.174 12.324 700 HG2 GLN 96 1HG GLN 96 -8.547 0.441 13.082 701 HG3 GLN 96 2HG GLN 96 -9.136 0.327 11.425 702 HE21 GLN 96 1HE2 GLN 96 -11.146 1.149 12.086 703 HE22 GLN 96 2HE2 GLN 96 -12.290 0.164 12.926 704 H ASP 97 H ASP 97 -6.671 -2.553 8.885 705 HA ASP 97 HA ASP 97 -5.442 -4.818 10.240 706 HB2 ASP 97 1HB ASP 97 -7.394 -5.695 8.901 707 HB3 ASP 97 2HB ASP 97 -6.561 -5.137 7.453 708 H SER 98 H SER 98 -3.495 -5.590 9.110 709 HA SER 98 HA SER 98 -2.383 -3.906 7.043 710 HB2 SER 98 1HB SER 98 -0.447 -3.167 8.333 711 HB3 SER 98 2HB SER 98 -1.930 -2.599 9.099 712 HG SER 98 HG SER 98 -0.950 -3.470 10.780 713 H ALA 99 H ALA 99 -0.085 -4.616 6.530 714 HA ALA 99 HA ALA 99 0.361 -7.442 7.191 715 HB1 ALA 99 1HB ALA 99 -0.331 -8.036 5.159 716 HB2 ALA 99 2HB ALA 99 -0.372 -6.364 4.597 717 HB3 ALA 99 3HB ALA 99 1.138 -7.274 4.548 718 H ALA 100 H ALA 100 2.573 -8.143 6.231 719 HA ALA 100 HA ALA 100 4.505 -6.003 6.836 720 HB1 ALA 100 1HB ALA 100 4.256 -8.277 8.200 721 HB2 ALA 100 2HB ALA 100 5.353 -8.839 6.937 722 HB3 ALA 100 3HB ALA 100 5.811 -7.479 7.962 723 H LEU 101 H LEU 101 6.038 -5.479 5.382 724 HA LEU 101 HA LEU 101 6.019 -6.939 2.833 725 HB2 LEU 101 1HB LEU 101 5.583 -4.352 3.166 726 HB3 LEU 101 2HB LEU 101 7.345 -4.294 3.140 727 HG LEU 101 HG LEU 101 5.627 -5.436 0.937 728 HD11 LEU 101 1HD1 LEU 101 5.330 -3.006 1.206 729 HD12 LEU 101 2HD1 LEU 101 6.144 -3.426 -0.301 730 HD13 LEU 101 3HD1 LEU 101 7.075 -2.794 1.057 731 HD21 LEU 101 1HD2 LEU 101 8.179 -4.704 0.032 732 HD22 LEU 101 2HD2 LEU 101 7.521 -6.331 0.205 733 HD23 LEU 101 3HD2 LEU 101 8.429 -5.601 1.530 734 H THR 102 H THR 102 7.769 -8.003 2.148 735 HA THR 102 HA THR 102 10.275 -7.647 3.660 736 HB THR 102 HB THR 102 9.320 -10.163 2.279 737 HG1 THR 102 1HG THR 102 9.401 -10.757 4.708 738 HG21 THR 102 1HG2 THR 102 11.530 -10.068 4.282 739 HG22 THR 102 2HG2 THR 102 11.864 -9.577 2.621 740 HG23 THR 102 3HG2 THR 102 11.259 -11.199 2.957 741 H ILE 103 H ILE 103 12.097 -7.205 2.560 742 HA ILE 103 HA ILE 103 12.137 -7.587 -0.345 743 HB ILE 103 HB ILE 103 12.998 -5.009 0.969 744 HG12 ILE 103 1HG1 ILE 103 10.706 -5.171 -0.938 745 HG13 ILE 103 2HG1 ILE 103 10.436 -5.657 0.732 746 HG21 ILE 103 1HG2 ILE 103 12.609 -4.690 -1.788 747 HG22 ILE 103 2HG2 ILE 103 14.137 -4.690 -0.909 748 HG23 ILE 103 3HG2 ILE 103 13.514 -6.191 -1.595 749 HD11 ILE 103 1HD1 ILE 103 9.856 -3.446 0.801 750 HD12 ILE 103 2HD1 ILE 103 11.556 -3.361 1.266 751 HD13 ILE 103 3HD1 ILE 103 11.073 -2.976 -0.386 752 H GLN 104 H GLN 104 13.862 -8.766 -0.809 753 HA GLN 104 HA GLN 104 16.196 -8.651 0.957 754 HB2 GLN 104 1HB GLN 104 15.462 -10.649 -1.189 755 HB3 GLN 104 2HB GLN 104 16.884 -10.743 -0.160 756 HG2 GLN 104 1HG GLN 104 14.156 -10.612 1.048 757 HG3 GLN 104 2HG GLN 104 14.789 -12.135 0.425 758 HE21 GLN 104 1HE2 GLN 104 14.323 -12.447 2.867 759 HE22 GLN 104 2HE2 GLN 104 15.691 -12.245 3.902 760 H GLU 105 H GLU 105 18.346 -8.644 0.011 761 HA GLU 105 HA GLU 105 18.487 -6.785 -2.217 762 HB2 GLU 105 1HB GLU 105 20.454 -7.794 -0.187 763 HB3 GLU 105 2HB GLU 105 21.016 -6.969 -1.634 764 HG2 GLU 105 1HG GLU 105 19.911 -4.970 -1.042 765 HG3 GLU 105 2HG GLU 105 18.987 -5.772 0.227 766 H SER 106 H SER 106 19.368 -7.196 -4.192 767 HA SER 106 HA SER 106 19.263 -9.781 -5.231 768 HB2 SER 106 1HB SER 106 20.561 -8.772 -7.176 769 HB3 SER 106 2HB SER 106 19.057 -7.957 -6.748 770 HG SER 106 HG SER 106 20.154 -6.241 -6.230 771 H SER 107 H SER 107 20.829 -11.282 -5.807 772 HA SER 107 HA SER 107 23.218 -11.223 -4.151 773 HB2 SER 107 1HB SER 107 22.045 -13.296 -4.084 774 HB3 SER 107 2HB SER 107 21.929 -13.368 -5.842 775 HG SER 107 HG SER 107 23.706 -14.470 -5.736 776 H GLY 108 H GLY 108 25.308 -11.230 -4.895 777 HA2 GLY 108 1HA GLY 108 26.327 -11.746 -7.361 778 HA3 GLY 108 2HA GLY 108 25.719 -10.104 -7.516 779 HA PRO 109 HA PRO 109 30.089 -9.874 -6.001 780 HB2 PRO 109 1HB PRO 109 30.819 -7.893 -7.708 781 HB3 PRO 109 2HB PRO 109 30.884 -9.606 -8.140 782 HG2 PRO 109 1HG PRO 109 28.797 -7.564 -8.800 783 HG3 PRO 109 2HG PRO 109 29.510 -8.811 -9.839 784 HD2 PRO 109 1HD PRO 109 27.082 -9.097 -8.676 785 HD3 PRO 109 2HD PRO 109 28.161 -10.473 -8.984 786 H SER 110 H SER 110 27.339 -7.968 -5.992 787 HA SER 110 HA SER 110 28.581 -6.095 -4.107 788 HB2 SER 110 1HB SER 110 27.555 -4.183 -5.082 789 HB3 SER 110 2HB SER 110 28.306 -5.056 -6.417 790 HG SER 110 HG SER 110 25.692 -4.474 -5.991 791 H SER 111 H SER 111 27.141 -5.206 -2.554 792 HA SER 111 HA SER 111 25.323 -6.957 -1.444 793 HB2 SER 111 1HB SER 111 26.413 -4.772 -0.495 794 HB3 SER 111 2HB SER 111 24.940 -4.003 -1.084 795 HG SER 111 HG SER 111 23.974 -4.761 0.606 796 H GLY 112 H GLY 112 24.634 -4.129 -3.495 797 HA2 GLY 112 1HA GLY 112 21.904 -5.194 -3.871 798 HA3 GLY 112 2HA GLY 112 22.324 -3.490 -3.975 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -32.524 -4.081 13.470 2 HA2 GLY 1 1HA GLY 1 -29.593 -4.229 13.179 3 HA3 GLY 1 2HA GLY 1 -30.649 -3.208 12.215 4 H SER 2 H SER 2 -28.674 -1.837 13.097 5 HA SER 2 HA SER 2 -29.130 -0.791 15.760 6 HB2 SER 2 1HB SER 2 -27.049 -0.429 13.650 7 HB3 SER 2 2HB SER 2 -27.246 0.849 14.849 8 HG SER 2 HG SER 2 -26.887 -1.889 15.496 9 H SER 3 H SER 3 -29.652 1.377 16.235 10 HA SER 3 HA SER 3 -30.873 2.891 14.026 11 HB2 SER 3 1HB SER 3 -32.535 1.652 15.544 12 HB3 SER 3 2HB SER 3 -32.072 2.809 16.792 13 HG SER 3 HG SER 3 -32.763 3.833 14.297 14 H GLY 4 H GLY 4 -29.891 4.784 13.819 15 HA2 GLY 4 1HA GLY 4 -29.666 6.970 15.069 16 HA3 GLY 4 2HA GLY 4 -28.743 6.034 16.236 17 H SER 5 H SER 5 -26.608 5.751 15.922 18 HA SER 5 HA SER 5 -25.416 7.125 13.651 19 HB2 SER 5 1HB SER 5 -24.689 7.270 16.170 20 HB3 SER 5 2HB SER 5 -23.810 5.786 15.801 21 HG SER 5 HG SER 5 -23.163 7.262 13.848 22 H SER 6 H SER 6 -24.289 6.175 12.037 23 HA SER 6 HA SER 6 -23.266 3.528 12.142 24 HB2 SER 6 1HB SER 6 -24.789 2.590 10.358 25 HB3 SER 6 2HB SER 6 -25.541 2.801 11.940 26 HG SER 6 HG SER 6 -25.822 4.426 9.638 27 H GLY 7 H GLY 7 -21.701 3.305 10.651 28 HA2 GLY 7 1HA GLY 7 -21.726 4.254 8.031 29 HA3 GLY 7 2HA GLY 7 -20.975 5.499 9.018 30 H THR 8 H THR 8 -20.819 1.948 8.704 31 HA THR 8 HA THR 8 -17.958 2.118 8.225 32 HB THR 8 HB THR 8 -17.448 0.431 9.996 33 HG1 THR 8 1HG THR 8 -19.210 0.616 11.754 34 HG21 THR 8 1HG2 THR 8 -17.207 2.982 10.230 35 HG22 THR 8 2HG2 THR 8 -17.161 2.012 11.702 36 HG23 THR 8 3HG2 THR 8 -18.630 2.884 11.266 37 H ALA 9 H ALA 9 -17.024 -0.042 7.712 38 HA ALA 9 HA ALA 9 -19.060 -1.809 6.517 39 HB1 ALA 9 1HB ALA 9 -16.311 -1.617 5.374 40 HB2 ALA 9 2HB ALA 9 -17.829 -2.052 4.588 41 HB3 ALA 9 3HB ALA 9 -17.498 -0.368 4.997 42 H ARG 10 H ARG 10 -17.755 -3.976 5.837 43 HA ARG 10 HA ARG 10 -16.340 -4.870 8.263 44 HB2 ARG 10 1HB ARG 10 -18.777 -5.696 7.831 45 HB3 ARG 10 2HB ARG 10 -18.027 -6.728 6.621 46 HG2 ARG 10 1HG ARG 10 -18.132 -8.076 8.504 47 HG3 ARG 10 2HG ARG 10 -16.471 -7.480 8.517 48 HD2 ARG 10 1HD ARG 10 -17.214 -5.681 10.084 49 HD3 ARG 10 2HD ARG 10 -18.786 -6.475 10.164 50 HE ARG 10 HE ARG 10 -16.538 -8.169 10.808 51 HH11 ARG 10 2HH1 ARG 10 -18.963 -5.982 12.015 52 HH12 ARG 10 1HH1 ARG 10 -18.898 -6.597 13.634 53 HH21 ARG 10 2HH2 ARG 10 -16.443 -8.987 12.935 54 HH22 ARG 10 1HH2 ARG 10 -17.464 -8.305 14.156 55 H LEU 11 H LEU 11 -14.687 -6.392 7.997 56 HA LEU 11 HA LEU 11 -13.436 -6.321 5.375 57 HB2 LEU 11 1HB LEU 11 -12.129 -5.841 7.402 58 HB3 LEU 11 2HB LEU 11 -12.448 -7.475 7.980 59 HG LEU 11 HG LEU 11 -11.173 -8.379 6.081 60 HD11 LEU 11 1HD1 LEU 11 -11.243 -6.931 4.321 61 HD12 LEU 11 2HD1 LEU 11 -9.666 -6.510 4.987 62 HD13 LEU 11 3HD1 LEU 11 -11.070 -5.503 5.341 63 HD21 LEU 11 1HD2 LEU 11 -9.966 -8.113 8.103 64 HD22 LEU 11 2HD2 LEU 11 -9.802 -6.374 7.859 65 HD23 LEU 11 3HD2 LEU 11 -8.930 -7.498 6.815 66 H VAL 12 H VAL 12 -13.468 -7.939 3.959 67 HA VAL 12 HA VAL 12 -14.517 -10.541 4.847 68 HB VAL 12 HB VAL 12 -14.692 -10.777 2.201 69 HG11 VAL 12 1HG1 VAL 12 -17.030 -9.726 2.447 70 HG12 VAL 12 2HG1 VAL 12 -16.617 -11.101 3.473 71 HG13 VAL 12 3HG1 VAL 12 -16.574 -9.465 4.130 72 HG21 VAL 12 1HG2 VAL 12 -15.134 -8.766 1.059 73 HG22 VAL 12 2HG2 VAL 12 -15.190 -7.832 2.554 74 HG23 VAL 12 3HG2 VAL 12 -13.652 -8.466 1.967 75 H ALA 13 H ALA 13 -11.982 -9.007 2.923 76 HA ALA 13 HA ALA 13 -10.398 -11.469 3.186 77 HB1 ALA 13 1HB ALA 13 -10.208 -9.829 0.693 78 HB2 ALA 13 2HB ALA 13 -9.767 -11.516 0.961 79 HB3 ALA 13 3HB ALA 13 -11.466 -11.054 0.860 80 H GLY 14 H GLY 14 -9.293 -10.462 4.921 81 HA2 GLY 14 1HA GLY 14 -8.111 -7.930 4.858 82 HA3 GLY 14 2HA GLY 14 -7.567 -9.272 5.853 83 H LEU 15 H LEU 15 -5.657 -7.629 5.028 84 HA LEU 15 HA LEU 15 -4.535 -8.262 2.494 85 HB2 LEU 15 1HB LEU 15 -3.203 -7.116 4.944 86 HB3 LEU 15 2HB LEU 15 -2.546 -7.103 3.309 87 HG LEU 15 HG LEU 15 -5.166 -5.774 3.857 88 HD11 LEU 15 1HD1 LEU 15 -2.469 -4.847 4.720 89 HD12 LEU 15 2HD1 LEU 15 -4.032 -4.665 5.515 90 HD13 LEU 15 3HD1 LEU 15 -3.634 -3.669 4.115 91 HD21 LEU 15 1HD2 LEU 15 -2.916 -5.416 1.892 92 HD22 LEU 15 2HD2 LEU 15 -4.232 -4.256 2.071 93 HD23 LEU 15 3HD2 LEU 15 -4.578 -5.911 1.568 94 H GLU 16 H GLU 16 -2.130 -9.058 2.483 95 HA GLU 16 HA GLU 16 -1.791 -11.339 4.291 96 HB2 GLU 16 1HB GLU 16 -1.673 -11.481 1.275 97 HB3 GLU 16 2HB GLU 16 -1.127 -12.760 2.349 98 HG2 GLU 16 1HG GLU 16 -3.427 -12.891 3.272 99 HG3 GLU 16 2HG GLU 16 -3.934 -11.719 2.056 100 H ASP 17 H ASP 17 0.420 -12.287 4.128 101 HA ASP 17 HA ASP 17 2.363 -10.155 4.107 102 HB2 ASP 17 1HB ASP 17 3.919 -12.154 4.707 103 HB3 ASP 17 2HB ASP 17 2.721 -11.618 5.882 104 H VAL 18 H VAL 18 4.039 -9.865 2.704 105 HA VAL 18 HA VAL 18 4.425 -11.784 0.533 106 HB VAL 18 HB VAL 18 3.872 -8.853 0.051 107 HG11 VAL 18 1HG1 VAL 18 4.139 -9.373 -2.313 108 HG12 VAL 18 2HG1 VAL 18 5.619 -9.738 -1.424 109 HG13 VAL 18 3HG1 VAL 18 4.538 -11.043 -1.914 110 HG21 VAL 18 1HG2 VAL 18 1.884 -9.559 -1.084 111 HG22 VAL 18 2HG2 VAL 18 2.308 -11.259 -0.876 112 HG23 VAL 18 3HG2 VAL 18 1.880 -10.279 0.527 113 H GLN 19 H GLN 19 6.472 -11.759 -0.373 114 HA GLN 19 HA GLN 19 8.383 -9.781 0.633 115 HB2 GLN 19 1HB GLN 19 9.873 -11.329 1.504 116 HB3 GLN 19 2HB GLN 19 8.322 -12.005 1.982 117 HG2 GLN 19 1HG GLN 19 8.470 -13.396 -0.153 118 HG3 GLN 19 2HG GLN 19 10.165 -12.913 -0.198 119 HE21 GLN 19 1HE2 GLN 19 11.265 -14.666 0.356 120 HE22 GLN 19 2HE2 GLN 19 10.991 -15.620 1.769 121 H VAL 20 H VAL 20 9.785 -9.095 -0.869 122 HA VAL 20 HA VAL 20 10.252 -10.741 -3.250 123 HB VAL 20 HB VAL 20 9.967 -8.808 -4.734 124 HG11 VAL 20 1HG1 VAL 20 7.711 -9.076 -4.980 125 HG12 VAL 20 2HG1 VAL 20 8.053 -10.427 -3.898 126 HG13 VAL 20 3HG1 VAL 20 7.392 -8.925 -3.253 127 HG21 VAL 20 1HG2 VAL 20 8.704 -6.823 -3.785 128 HG22 VAL 20 2HG2 VAL 20 9.157 -7.422 -2.190 129 HG23 VAL 20 3HG2 VAL 20 10.406 -6.953 -3.342 130 H TYR 21 H TYR 21 12.017 -9.720 -4.641 131 HA TYR 21 HA TYR 21 14.239 -9.089 -2.893 132 HB2 TYR 21 1HB TYR 21 13.951 -9.890 -5.761 133 HB3 TYR 21 2HB TYR 21 15.441 -9.116 -5.235 134 HD1 TYR 21 1HD TYR 21 13.159 -11.822 -4.014 135 HD2 TYR 21 2HD TYR 21 17.161 -10.539 -4.682 136 HE1 TYR 21 1HE TYR 21 13.985 -13.988 -3.190 137 HE2 TYR 21 2HE TYR 21 17.997 -12.701 -3.861 138 HH TYR 21 HH TYR 21 15.816 -15.347 -3.100 139 H ASP 22 H ASP 22 15.782 -7.363 -3.496 140 HA ASP 22 HA ASP 22 14.583 -4.852 -3.509 141 HB2 ASP 22 1HB ASP 22 16.756 -4.878 -2.667 142 HB3 ASP 22 2HB ASP 22 17.379 -5.806 -4.029 143 H GLY 23 H GLY 23 14.175 -3.321 -5.062 144 HA2 GLY 23 1HA GLY 23 14.035 -2.391 -7.188 145 HA3 GLY 23 2HA GLY 23 14.947 -3.756 -7.815 146 H GLU 24 H GLU 24 12.985 -5.595 -6.416 147 HA GLU 24 HA GLU 24 11.308 -6.062 -8.634 148 HB2 GLU 24 1HB GLU 24 11.044 -7.076 -5.798 149 HB3 GLU 24 2HB GLU 24 10.203 -7.729 -7.197 150 HG2 GLU 24 1HG GLU 24 13.158 -7.782 -6.653 151 HG3 GLU 24 2HG GLU 24 12.046 -9.149 -6.701 152 H ASP 25 H ASP 25 8.807 -6.514 -7.922 153 HA ASP 25 HA ASP 25 7.804 -3.947 -6.877 154 HB2 ASP 25 1HB ASP 25 6.327 -5.532 -8.960 155 HB3 ASP 25 2HB ASP 25 6.162 -3.828 -8.545 156 H ALA 26 H ALA 26 6.325 -4.054 -5.301 157 HA ALA 26 HA ALA 26 5.423 -6.711 -4.462 158 HB1 ALA 26 1HB ALA 26 5.143 -5.853 -2.309 159 HB2 ALA 26 2HB ALA 26 6.599 -5.053 -2.900 160 HB3 ALA 26 3HB ALA 26 5.063 -4.187 -2.882 161 H VAL 27 H VAL 27 3.267 -7.213 -4.122 162 HA VAL 27 HA VAL 27 1.291 -5.244 -5.061 163 HB VAL 27 HB VAL 27 1.291 -8.184 -5.758 164 HG11 VAL 27 1HG1 VAL 27 -0.519 -6.792 -7.363 165 HG12 VAL 27 2HG1 VAL 27 -0.896 -7.919 -6.059 166 HG13 VAL 27 3HG1 VAL 27 -0.788 -6.190 -5.728 167 HG21 VAL 27 1HG2 VAL 27 1.835 -7.577 -7.975 168 HG22 VAL 27 2HG2 VAL 27 1.595 -5.861 -7.646 169 HG23 VAL 27 3HG2 VAL 27 2.974 -6.709 -6.945 170 H PHE 28 H PHE 28 -0.609 -5.168 -3.955 171 HA PHE 28 HA PHE 28 -1.200 -7.242 -1.987 172 HB2 PHE 28 1HB PHE 28 -0.989 -4.309 -1.272 173 HB3 PHE 28 2HB PHE 28 -1.545 -5.589 -0.198 174 HD1 PHE 28 2HD PHE 28 1.354 -4.099 -1.857 175 HD2 PHE 28 1HD PHE 28 0.005 -7.135 0.802 176 HE1 PHE 28 2HE PHE 28 3.672 -4.483 -1.127 177 HE2 PHE 28 1HE PHE 28 2.321 -7.524 1.538 178 HZ PHE 28 HZ PHE 28 4.158 -6.198 0.573 179 H SER 29 H SER 29 -3.358 -7.497 -1.553 180 HA SER 29 HA SER 29 -5.263 -5.543 -2.579 181 HB2 SER 29 1HB SER 29 -6.413 -7.034 -4.014 182 HB3 SER 29 2HB SER 29 -4.707 -7.258 -4.402 183 HG SER 29 HG SER 29 -6.369 -9.124 -3.763 184 H LEU 30 H LEU 30 -7.434 -5.881 -1.805 185 HA LEU 30 HA LEU 30 -7.912 -7.912 0.187 186 HB2 LEU 30 1HB LEU 30 -8.247 -6.476 2.047 187 HB3 LEU 30 2HB LEU 30 -6.645 -6.138 1.395 188 HG LEU 30 HG LEU 30 -8.000 -4.225 0.130 189 HD11 LEU 30 1HD1 LEU 30 -9.592 -3.261 1.870 190 HD12 LEU 30 2HD1 LEU 30 -9.622 -4.879 2.569 191 HD13 LEU 30 3HD1 LEU 30 -10.171 -4.624 0.913 192 HD21 LEU 30 1HD2 LEU 30 -7.427 -2.751 2.121 193 HD22 LEU 30 2HD2 LEU 30 -6.109 -3.692 1.422 194 HD23 LEU 30 3HD2 LEU 30 -6.878 -4.226 2.917 195 H ASP 31 H ASP 31 -10.122 -7.953 0.918 196 HA ASP 31 HA ASP 31 -11.937 -6.531 -0.916 197 HB2 ASP 31 1HB ASP 31 -12.181 -9.257 0.364 198 HB3 ASP 31 2HB ASP 31 -13.516 -8.453 -0.458 199 H LEU 32 H LEU 32 -14.011 -5.894 -0.086 200 HA LEU 32 HA LEU 32 -14.108 -5.620 2.842 201 HB2 LEU 32 1HB LEU 32 -14.807 -3.490 0.826 202 HB3 LEU 32 2HB LEU 32 -15.003 -3.357 2.572 203 HG LEU 32 HG LEU 32 -12.410 -3.509 1.040 204 HD11 LEU 32 1HD1 LEU 32 -13.860 -1.342 2.519 205 HD12 LEU 32 2HD1 LEU 32 -13.211 -1.324 0.880 206 HD13 LEU 32 3HD1 LEU 32 -12.117 -1.279 2.262 207 HD21 LEU 32 1HD2 LEU 32 -11.652 -2.930 3.538 208 HD22 LEU 32 2HD2 LEU 32 -11.720 -4.578 2.913 209 HD23 LEU 32 3HD2 LEU 32 -13.046 -3.951 3.895 210 H SER 33 H SER 33 -16.425 -4.626 3.388 211 HA SER 33 HA SER 33 -18.301 -6.611 2.458 212 HB2 SER 33 1HB SER 33 -18.116 -5.819 4.858 213 HB3 SER 33 2HB SER 33 -18.859 -4.308 4.335 214 HG SER 33 HG SER 33 -20.153 -6.652 3.596 215 H THR 34 H THR 34 -17.795 -3.154 2.097 216 HA THR 34 HA THR 34 -19.589 -3.135 -0.187 217 HB THR 34 HB THR 34 -21.052 -2.573 1.745 218 HG1 THR 34 1HG THR 34 -22.065 -1.280 0.410 219 HG21 THR 34 1HG2 THR 34 -19.205 -1.418 3.034 220 HG22 THR 34 2HG2 THR 34 -20.758 -0.582 3.006 221 HG23 THR 34 3HG2 THR 34 -19.443 -0.036 1.966 222 H ILE 35 H ILE 35 -19.638 -0.749 -1.080 223 HA ILE 35 HA ILE 35 -16.915 -0.071 -1.635 224 HB ILE 35 HB ILE 35 -19.301 1.606 -2.376 225 HG12 ILE 35 1HG1 ILE 35 -18.258 -0.852 -3.799 226 HG13 ILE 35 2HG1 ILE 35 -19.802 -0.724 -2.965 227 HG21 ILE 35 1HG2 ILE 35 -17.939 2.646 -3.835 228 HG22 ILE 35 2HG2 ILE 35 -16.664 2.044 -2.776 229 HG23 ILE 35 3HG2 ILE 35 -17.078 1.164 -4.247 230 HD11 ILE 35 1HD1 ILE 35 -19.086 1.067 -5.257 231 HD12 ILE 35 2HD1 ILE 35 -19.816 -0.521 -5.493 232 HD13 ILE 35 3HD1 ILE 35 -20.678 0.719 -4.582 233 H ILE 36 H ILE 36 -15.850 0.748 0.105 234 HA ILE 36 HA ILE 36 -16.871 3.292 1.178 235 HB ILE 36 HB ILE 36 -17.085 1.430 2.834 236 HG12 ILE 36 1HG1 ILE 36 -15.053 3.508 3.661 237 HG13 ILE 36 2HG1 ILE 36 -16.763 3.860 3.438 238 HG21 ILE 36 1HG2 ILE 36 -15.080 0.184 2.128 239 HG22 ILE 36 2HG2 ILE 36 -14.071 1.467 2.794 240 HG23 ILE 36 3HG2 ILE 36 -15.096 0.509 3.861 241 HD11 ILE 36 1HD1 ILE 36 -16.892 3.429 5.626 242 HD12 ILE 36 2HD1 ILE 36 -16.878 1.739 5.120 243 HD13 ILE 36 3HD1 ILE 36 -15.383 2.517 5.639 244 H GLN 37 H GLN 37 -15.141 4.655 2.146 245 HA GLN 37 HA GLN 37 -12.740 4.510 0.471 246 HB2 GLN 37 1HB GLN 37 -12.507 6.837 0.744 247 HB3 GLN 37 2HB GLN 37 -14.234 6.579 0.537 248 HG2 GLN 37 1HG GLN 37 -12.999 6.756 3.259 249 HG3 GLN 37 2HG GLN 37 -13.456 8.199 2.355 250 HE21 GLN 37 1HE2 GLN 37 -14.519 7.260 4.860 251 HE22 GLN 37 2HE2 GLN 37 -16.209 6.996 4.618 252 H GLY 38 H GLY 38 -10.696 4.448 1.306 253 HA2 GLY 38 1HA GLY 38 -10.397 4.521 4.229 254 HA3 GLY 38 2HA GLY 38 -9.850 3.097 3.357 255 H THR 39 H THR 39 -7.827 3.836 4.531 256 HA THR 39 HA THR 39 -6.268 5.488 2.676 257 HB THR 39 HB THR 39 -6.238 5.808 5.684 258 HG1 THR 39 1HG THR 39 -6.631 7.954 3.948 259 HG21 THR 39 1HG2 THR 39 -4.060 6.287 5.322 260 HG22 THR 39 2HG2 THR 39 -4.696 7.816 4.716 261 HG23 THR 39 3HG2 THR 39 -4.293 6.521 3.590 262 H TRP 40 H TRP 40 -4.318 4.663 2.202 263 HA TRP 40 HA TRP 40 -3.580 2.131 3.414 264 HB2 TRP 40 1HB TRP 40 -2.653 3.667 1.006 265 HB3 TRP 40 2HB TRP 40 -1.688 2.336 1.638 266 HD1 TRP 40 HD TRP 40 -4.919 3.069 -0.233 267 HE1 TRP 40 1HE TRP 40 -5.880 0.859 -1.138 268 HE3 TRP 40 3HE TRP 40 -1.792 -0.207 2.139 269 HZ2 TRP 40 2HZ TRP 40 -5.380 -1.907 -0.879 270 HZ3 TRP 40 3HZ TRP 40 -2.101 -2.618 1.757 271 HH2 TRP 40 HH TRP 40 -3.859 -3.449 0.280 272 H PHE 41 H PHE 41 -1.466 1.693 4.242 273 HA PHE 41 HA PHE 41 0.079 4.042 5.078 274 HB2 PHE 41 1HB PHE 41 -1.148 1.956 6.847 275 HB3 PHE 41 2HB PHE 41 0.366 2.719 7.321 276 HD1 PHE 41 2HD PHE 41 -3.097 3.544 6.243 277 HD2 PHE 41 1HD PHE 41 0.331 4.720 8.476 278 HE1 PHE 41 2HE PHE 41 -4.351 5.453 7.157 279 HE2 PHE 41 1HE PHE 41 -0.919 6.630 9.395 280 HZ PHE 41 HZ PHE 41 -3.263 6.999 8.734 281 H LEU 42 H LEU 42 2.279 3.586 5.645 282 HA LEU 42 HA LEU 42 3.274 0.934 4.910 283 HB2 LEU 42 1HB LEU 42 3.350 2.393 2.903 284 HB3 LEU 42 2HB LEU 42 4.404 3.493 3.788 285 HG LEU 42 HG LEU 42 5.878 1.305 4.030 286 HD11 LEU 42 1HD1 LEU 42 3.966 0.713 1.847 287 HD12 LEU 42 2HD1 LEU 42 4.789 -0.376 2.964 288 HD13 LEU 42 3HD1 LEU 42 5.659 0.292 1.583 289 HD21 LEU 42 1HD2 LEU 42 6.318 2.249 1.363 290 HD22 LEU 42 2HD2 LEU 42 7.251 2.565 2.826 291 HD23 LEU 42 3HD2 LEU 42 5.885 3.601 2.409 292 H ASN 43 H ASN 43 4.579 0.230 6.454 293 HA ASN 43 HA ASN 43 5.853 0.216 8.353 294 HB2 ASN 43 1HB ASN 43 7.953 1.521 8.158 295 HB3 ASN 43 2HB ASN 43 7.578 0.623 6.690 296 HD21 ASN 43 1HD2 ASN 43 7.683 1.692 4.854 297 HD22 ASN 43 2HD2 ASN 43 7.637 3.410 4.674 298 H GLY 44 H GLY 44 3.577 1.580 8.873 299 HA2 GLY 44 1HA GLY 44 2.825 2.851 10.671 300 HA3 GLY 44 2HA GLY 44 4.467 3.425 10.918 301 H GLU 45 H GLU 45 4.744 4.270 8.112 302 HA GLU 45 HA GLU 45 3.727 6.918 8.421 303 HB2 GLU 45 1HB GLU 45 5.358 5.476 6.386 304 HB3 GLU 45 2HB GLU 45 4.576 6.975 5.903 305 HG2 GLU 45 1HG GLU 45 6.458 6.658 8.230 306 HG3 GLU 45 2HG GLU 45 6.874 7.329 6.653 307 H GLU 46 H GLU 46 2.535 8.010 6.587 308 HA GLU 46 HA GLU 46 0.341 6.264 5.681 309 HB2 GLU 46 1HB GLU 46 -0.284 7.995 7.367 310 HB3 GLU 46 2HB GLU 46 0.218 9.234 6.225 311 HG2 GLU 46 1HG GLU 46 -1.470 8.258 4.621 312 HG3 GLU 46 2HG GLU 46 -2.074 7.312 5.980 313 H LEU 47 H LEU 47 -0.532 6.602 3.607 314 HA LEU 47 HA LEU 47 1.322 7.935 1.756 315 HB2 LEU 47 1HB LEU 47 -0.708 5.768 1.236 316 HB3 LEU 47 2HB LEU 47 0.353 6.486 0.025 317 HG LEU 47 HG LEU 47 1.437 5.048 2.430 318 HD11 LEU 47 1HD1 LEU 47 -0.036 3.487 1.307 319 HD12 LEU 47 2HD1 LEU 47 1.648 3.058 1.006 320 HD13 LEU 47 3HD1 LEU 47 0.707 3.868 -0.247 321 HD21 LEU 47 1HD2 LEU 47 3.445 4.959 1.228 322 HD22 LEU 47 2HD2 LEU 47 2.837 6.592 0.955 323 HD23 LEU 47 3HD2 LEU 47 2.655 5.362 -0.296 324 H LYS 48 H LYS 48 0.626 9.478 0.359 325 HA LYS 48 HA LYS 48 -2.120 10.438 0.745 326 HB2 LYS 48 1HB LYS 48 0.341 11.815 -0.340 327 HB3 LYS 48 2HB LYS 48 -1.256 12.549 -0.290 328 HG2 LYS 48 1HG LYS 48 -1.279 12.541 2.084 329 HG3 LYS 48 2HG LYS 48 0.168 11.533 2.155 330 HD2 LYS 48 1HD LYS 48 0.163 14.258 0.882 331 HD3 LYS 48 2HD LYS 48 0.476 14.019 2.603 332 HE2 LYS 48 1HE LYS 48 2.301 12.427 1.948 333 HE3 LYS 48 2HE LYS 48 2.056 12.935 0.277 334 HZ1 LYS 48 1HZ LYS 48 3.546 14.504 0.746 335 HZ2 LYS 48 2HZ LYS 48 3.412 14.285 2.418 336 HZ3 LYS 48 3HZ LYS 48 2.312 15.280 1.605 337 H SER 49 H SER 49 -3.583 10.250 -0.819 338 HA SER 49 HA SER 49 -2.832 9.061 -3.340 339 HB2 SER 49 1HB SER 49 -5.225 8.926 -3.768 340 HB3 SER 49 2HB SER 49 -4.890 8.374 -2.127 341 HG SER 49 HG SER 49 -6.306 10.570 -3.001 342 H ASN 50 H ASN 50 -1.685 11.581 -3.047 343 HA ASN 50 HA ASN 50 -2.868 12.945 -5.334 344 HB2 ASN 50 1HB ASN 50 -2.634 14.100 -2.588 345 HB3 ASN 50 2HB ASN 50 -2.354 15.155 -3.969 346 HD21 ASN 50 1HD2 ASN 50 -4.473 15.288 -2.030 347 HD22 ASN 50 2HD2 ASN 50 -5.956 15.120 -2.899 348 H GLU 51 H GLU 51 -1.356 14.991 -5.788 349 HA GLU 51 HA GLU 51 1.099 14.005 -6.627 350 HB2 GLU 51 1HB GLU 51 0.332 16.875 -6.065 351 HB3 GLU 51 2HB GLU 51 1.732 16.367 -6.999 352 HG2 GLU 51 1HG GLU 51 -1.052 15.564 -7.763 353 HG3 GLU 51 2HG GLU 51 -0.345 17.095 -8.276 354 HA PRO 52 HA PRO 52 3.540 13.932 -2.952 355 HB2 PRO 52 1HB PRO 52 5.985 13.798 -4.124 356 HB3 PRO 52 2HB PRO 52 4.873 12.425 -4.060 357 HG2 PRO 52 1HG PRO 52 5.395 14.338 -6.303 358 HG3 PRO 52 2HG PRO 52 5.201 12.576 -6.358 359 HD2 PRO 52 1HD PRO 52 3.206 14.283 -7.021 360 HD3 PRO 52 2HD PRO 52 2.900 12.701 -6.275 361 H GLU 53 H GLU 53 3.153 16.532 -4.897 362 HA GLU 53 HA GLU 53 5.155 18.282 -4.799 363 HB2 GLU 53 1HB GLU 53 2.870 18.868 -5.501 364 HB3 GLU 53 2HB GLU 53 2.365 18.909 -3.817 365 HG2 GLU 53 1HG GLU 53 4.618 20.642 -4.703 366 HG3 GLU 53 2HG GLU 53 2.962 21.107 -5.087 367 H GLY 54 H GLY 54 6.313 19.499 -3.367 368 HA2 GLY 54 1HA GLY 54 6.243 20.509 -1.054 369 HA3 GLY 54 2HA GLY 54 5.869 18.880 -0.513 370 H GLN 55 H GLN 55 7.497 17.487 -0.105 371 HA GLN 55 HA GLN 55 10.223 18.468 -0.619 372 HB2 GLN 55 1HB GLN 55 10.928 17.128 1.295 373 HB3 GLN 55 2HB GLN 55 9.652 18.246 1.756 374 HG2 GLN 55 1HG GLN 55 8.031 16.501 1.790 375 HG3 GLN 55 2HG GLN 55 9.169 15.358 1.077 376 HE21 GLN 55 1HE2 GLN 55 8.104 14.399 3.201 377 HE22 GLN 55 2HE2 GLN 55 9.117 14.515 4.595 378 H VAL 56 H VAL 56 8.078 15.707 -0.871 379 HA VAL 56 HA VAL 56 10.122 13.942 -1.876 380 HB VAL 56 HB VAL 56 7.118 13.642 -1.797 381 HG11 VAL 56 1HG1 VAL 56 7.565 12.115 -3.411 382 HG12 VAL 56 2HG1 VAL 56 9.258 11.950 -2.941 383 HG13 VAL 56 3HG1 VAL 56 8.000 11.128 -2.017 384 HG21 VAL 56 1HG2 VAL 56 7.639 13.452 0.401 385 HG22 VAL 56 2HG2 VAL 56 8.045 11.805 -0.084 386 HG23 VAL 56 3HG2 VAL 56 9.318 13.015 0.079 387 H GLU 57 H GLU 57 10.825 13.860 -3.899 388 HA GLU 57 HA GLU 57 9.774 15.511 -5.944 389 HB2 GLU 57 1HB GLU 57 11.385 14.329 -7.416 390 HB3 GLU 57 2HB GLU 57 12.117 14.937 -5.938 391 HG2 GLU 57 1HG GLU 57 11.837 12.632 -4.978 392 HG3 GLU 57 2HG GLU 57 11.389 12.099 -6.597 393 HA PRO 58 HA PRO 58 6.618 13.016 -7.710 394 HB2 PRO 58 1HB PRO 58 6.718 13.869 -10.285 395 HB3 PRO 58 2HB PRO 58 6.062 14.854 -8.972 396 HG2 PRO 58 1HG PRO 58 8.768 14.958 -10.249 397 HG3 PRO 58 2HG PRO 58 7.700 16.294 -9.780 398 HD2 PRO 58 1HD PRO 58 9.813 15.520 -8.273 399 HD3 PRO 58 2HD PRO 58 8.326 16.183 -7.564 400 H GLY 59 H GLY 59 9.831 12.486 -8.244 401 HA2 GLY 59 1HA GLY 59 9.243 10.125 -9.914 402 HA3 GLY 59 2HA GLY 59 10.648 11.131 -10.232 403 H ALA 60 H ALA 60 9.390 10.166 -7.076 404 HA ALA 60 HA ALA 60 12.001 8.997 -6.465 405 HB1 ALA 60 1HB ALA 60 9.722 9.585 -4.583 406 HB2 ALA 60 2HB ALA 60 11.379 9.166 -4.149 407 HB3 ALA 60 3HB ALA 60 11.038 10.703 -4.945 408 H LEU 61 H LEU 61 8.633 8.176 -5.611 409 HA LEU 61 HA LEU 61 9.315 5.346 -6.074 410 HB2 LEU 61 1HB LEU 61 9.045 5.501 -3.766 411 HB3 LEU 61 2HB LEU 61 7.716 6.651 -3.905 412 HG LEU 61 HG LEU 61 6.433 4.649 -4.953 413 HD11 LEU 61 1HD1 LEU 61 8.785 3.326 -3.653 414 HD12 LEU 61 2HD1 LEU 61 8.063 3.014 -5.231 415 HD13 LEU 61 3HD1 LEU 61 7.224 2.512 -3.763 416 HD21 LEU 61 1HD2 LEU 61 5.602 5.490 -2.958 417 HD22 LEU 61 2HD2 LEU 61 7.074 5.108 -2.065 418 HD23 LEU 61 3HD2 LEU 61 5.975 3.815 -2.548 419 H ARG 62 H ARG 62 7.716 4.016 -6.977 420 HA ARG 62 HA ARG 62 5.447 5.455 -8.189 421 HB2 ARG 62 1HB ARG 62 7.354 3.467 -9.371 422 HB3 ARG 62 2HB ARG 62 5.716 3.589 -10.001 423 HG2 ARG 62 1HG ARG 62 6.071 5.640 -10.921 424 HG3 ARG 62 2HG ARG 62 7.279 6.093 -9.717 425 HD2 ARG 62 1HD ARG 62 8.734 4.270 -10.807 426 HD3 ARG 62 2HD ARG 62 7.595 4.367 -12.148 427 HE ARG 62 HE ARG 62 9.591 6.313 -11.417 428 HH11 ARG 62 2HH1 ARG 62 6.616 5.731 -13.129 429 HH12 ARG 62 1HH1 ARG 62 6.815 7.080 -14.197 430 HH21 ARG 62 2HH2 ARG 62 9.864 8.092 -12.818 431 HH22 ARG 62 1HH2 ARG 62 8.663 8.422 -14.020 432 H TYR 63 H TYR 63 3.503 4.680 -7.705 433 HA TYR 63 HA TYR 63 3.191 1.847 -7.052 434 HB2 TYR 63 1HB TYR 63 1.739 2.490 -5.092 435 HB3 TYR 63 2HB TYR 63 3.459 2.799 -4.877 436 HD1 TYR 63 1HD TYR 63 4.296 5.180 -5.262 437 HD2 TYR 63 2HD TYR 63 0.176 4.214 -4.827 438 HE1 TYR 63 1HE TYR 63 3.810 7.528 -4.712 439 HE2 TYR 63 2HE TYR 63 -0.322 6.559 -4.277 440 HH TYR 63 HH TYR 63 0.967 8.905 -4.883 441 H ARG 64 H ARG 64 0.690 1.491 -6.585 442 HA ARG 64 HA ARG 64 -0.969 3.148 -8.314 443 HB2 ARG 64 1HB ARG 64 -0.003 1.423 -9.800 444 HB3 ARG 64 2HB ARG 64 -0.666 0.173 -8.756 445 HG2 ARG 64 1HG ARG 64 -2.935 1.020 -9.246 446 HG3 ARG 64 2HG ARG 64 -2.224 2.180 -10.369 447 HD2 ARG 64 1HD ARG 64 -1.575 0.526 -11.864 448 HD3 ARG 64 2HD ARG 64 -1.639 -0.741 -10.639 449 HE ARG 64 HE ARG 64 -4.220 0.157 -10.894 450 HH11 ARG 64 2HH1 ARG 64 -1.821 -1.215 -13.011 451 HH12 ARG 64 1HH1 ARG 64 -2.982 -1.971 -14.051 452 HH21 ARG 64 2HH2 ARG 64 -5.759 -0.834 -12.256 453 HH22 ARG 64 1HH2 ARG 64 -5.222 -1.753 -13.621 454 H ILE 65 H ILE 65 -2.617 3.643 -7.030 455 HA ILE 65 HA ILE 65 -3.626 1.620 -5.155 456 HB ILE 65 HB ILE 65 -4.074 4.607 -5.206 457 HG12 ILE 65 1HG1 ILE 65 -2.586 2.948 -3.168 458 HG13 ILE 65 2HG1 ILE 65 -1.791 3.746 -4.520 459 HG21 ILE 65 1HG2 ILE 65 -6.035 3.670 -4.301 460 HG22 ILE 65 2HG2 ILE 65 -5.132 2.453 -3.398 461 HG23 ILE 65 3HG2 ILE 65 -5.059 4.147 -2.911 462 HD11 ILE 65 1HD1 ILE 65 -3.207 5.795 -3.438 463 HD12 ILE 65 2HD1 ILE 65 -2.794 4.847 -2.009 464 HD13 ILE 65 3HD1 ILE 65 -1.520 5.427 -3.081 465 H GLU 66 H GLU 66 -5.287 0.479 -5.893 466 HA GLU 66 HA GLU 66 -7.256 1.813 -7.630 467 HB2 GLU 66 1HB GLU 66 -6.626 -1.132 -7.357 468 HB3 GLU 66 2HB GLU 66 -7.858 -0.452 -8.410 469 HG2 GLU 66 1HG GLU 66 -5.039 0.472 -8.677 470 HG3 GLU 66 2HG GLU 66 -5.511 -1.089 -9.346 471 H GLN 67 H GLN 67 -9.159 2.255 -6.756 472 HA GLN 67 HA GLN 67 -10.147 0.541 -4.576 473 HB2 GLN 67 1HB GLN 67 -9.293 2.756 -3.764 474 HB3 GLN 67 2HB GLN 67 -10.534 3.533 -4.738 475 HG2 GLN 67 1HG GLN 67 -11.271 1.464 -2.713 476 HG3 GLN 67 2HG GLN 67 -10.960 3.130 -2.227 477 HE21 GLN 67 1HE2 GLN 67 -13.428 1.560 -2.145 478 HE22 GLN 67 2HE2 GLN 67 -14.590 2.457 -3.057 479 H LYS 68 H LYS 68 -11.710 -0.589 -5.573 480 HA LYS 68 HA LYS 68 -14.042 0.843 -6.504 481 HB2 LYS 68 1HB LYS 68 -12.301 0.386 -8.453 482 HB3 LYS 68 2HB LYS 68 -13.029 -1.215 -8.412 483 HG2 LYS 68 1HG LYS 68 -15.263 0.203 -8.486 484 HG3 LYS 68 2HG LYS 68 -14.191 1.382 -9.245 485 HD2 LYS 68 1HD LYS 68 -14.250 -1.472 -10.164 486 HD3 LYS 68 2HD LYS 68 -15.435 -0.303 -10.750 487 HE2 LYS 68 1HE LYS 68 -13.664 -0.335 -12.328 488 HE3 LYS 68 2HE LYS 68 -13.502 1.163 -11.412 489 HZ1 LYS 68 1HZ LYS 68 -11.508 -0.576 -11.845 490 HZ2 LYS 68 2HZ LYS 68 -12.044 -1.082 -10.323 491 HZ3 LYS 68 3HZ LYS 68 -11.551 0.519 -10.556 492 H GLY 69 H GLY 69 -15.902 -0.302 -6.213 493 HA2 GLY 69 1HA GLY 69 -17.190 -1.888 -5.125 494 HA3 GLY 69 2HA GLY 69 -16.426 -2.951 -6.298 495 H LEU 70 H LEU 70 -15.999 -1.545 -3.072 496 HA LEU 70 HA LEU 70 -14.611 -2.228 -1.346 497 HB2 LEU 70 1HB LEU 70 -15.333 -4.676 -0.746 498 HB3 LEU 70 2HB LEU 70 -16.453 -3.326 -0.578 499 HG LEU 70 HG LEU 70 -16.471 -4.859 -3.129 500 HD11 LEU 70 1HD1 LEU 70 -17.938 -6.543 -2.220 501 HD12 LEU 70 2HD1 LEU 70 -17.808 -5.836 -0.610 502 HD13 LEU 70 3HD1 LEU 70 -16.397 -6.580 -1.362 503 HD21 LEU 70 1HD2 LEU 70 -18.443 -3.845 -3.417 504 HD22 LEU 70 2HD2 LEU 70 -17.938 -2.787 -2.100 505 HD23 LEU 70 3HD2 LEU 70 -18.963 -4.184 -1.766 506 H GLN 71 H GLN 71 -13.240 -2.464 -3.828 507 HA GLN 71 HA GLN 71 -11.527 -4.781 -3.229 508 HB2 GLN 71 1HB GLN 71 -12.994 -4.924 -5.358 509 HB3 GLN 71 2HB GLN 71 -11.881 -3.736 -6.024 510 HG2 GLN 71 1HG GLN 71 -10.036 -5.227 -5.795 511 HG3 GLN 71 2HG GLN 71 -11.013 -6.380 -4.887 512 HE21 GLN 71 1HE2 GLN 71 -10.623 -8.046 -6.322 513 HE22 GLN 71 2HE2 GLN 71 -11.321 -8.095 -7.902 514 H HIS 72 H HIS 72 -9.972 -3.655 -2.129 515 HA HIS 72 HA HIS 72 -8.746 -1.340 -3.441 516 HB2 HIS 72 1HB HIS 72 -8.434 -2.432 -0.638 517 HB3 HIS 72 2HB HIS 72 -7.578 -1.025 -1.261 518 HD2 HIS 72 2HD HIS 72 -11.335 -2.035 -0.554 519 HE1 HIS 72 1HE HIS 72 -10.922 2.181 -0.311 520 HE2 HIS 72 2HE HIS 72 -12.456 0.216 0.051 521 H ARG 73 H ARG 73 -6.665 -1.320 -4.147 522 HA ARG 73 HA ARG 73 -4.953 -3.625 -3.611 523 HB2 ARG 73 1HB ARG 73 -6.389 -3.764 -5.837 524 HB3 ARG 73 2HB ARG 73 -5.121 -2.707 -6.444 525 HG2 ARG 73 1HG ARG 73 -3.456 -4.410 -5.671 526 HG3 ARG 73 2HG ARG 73 -4.816 -5.482 -5.329 527 HD2 ARG 73 1HD ARG 73 -5.488 -4.942 -7.792 528 HD3 ARG 73 2HD ARG 73 -3.792 -4.489 -7.953 529 HE ARG 73 HE ARG 73 -3.205 -6.710 -7.791 530 HH11 ARG 73 2HH1 ARG 73 -6.567 -6.308 -6.981 531 HH12 ARG 73 1HH1 ARG 73 -6.907 -8.007 -6.992 532 HH21 ARG 73 2HH2 ARG 73 -3.641 -8.949 -7.809 533 HH22 ARG 73 1HH2 ARG 73 -5.242 -9.508 -7.463 534 H LEU 74 H LEU 74 -2.881 -3.061 -3.328 535 HA LEU 74 HA LEU 74 -1.993 -0.441 -4.329 536 HB2 LEU 74 1HB LEU 74 -2.479 -0.187 -1.982 537 HB3 LEU 74 2HB LEU 74 -1.520 -1.614 -1.594 538 HG LEU 74 HG LEU 74 0.473 -0.305 -2.525 539 HD11 LEU 74 1HD1 LEU 74 0.338 2.021 -2.709 540 HD12 LEU 74 2HD1 LEU 74 -1.239 2.084 -1.923 541 HD13 LEU 74 3HD1 LEU 74 -1.093 1.432 -3.555 542 HD21 LEU 74 1HD2 LEU 74 -0.603 1.027 -0.090 543 HD22 LEU 74 2HD2 LEU 74 1.008 0.383 -0.407 544 HD23 LEU 74 3HD2 LEU 74 -0.328 -0.714 -0.052 545 H ILE 75 H ILE 75 -0.365 -0.724 -5.688 546 HA ILE 75 HA ILE 75 1.510 -2.945 -5.198 547 HB ILE 75 HB ILE 75 0.721 -1.688 -7.828 548 HG12 ILE 75 1HG1 ILE 75 0.146 -4.235 -8.195 549 HG13 ILE 75 2HG1 ILE 75 0.058 -4.254 -6.437 550 HG21 ILE 75 1HG2 ILE 75 2.665 -2.379 -8.643 551 HG22 ILE 75 2HG2 ILE 75 3.121 -3.040 -7.074 552 HG23 ILE 75 3HG2 ILE 75 2.227 -4.035 -8.223 553 HD11 ILE 75 1HD1 ILE 75 -2.124 -3.858 -7.065 554 HD12 ILE 75 2HD1 ILE 75 -1.520 -2.234 -6.736 555 HD13 ILE 75 3HD1 ILE 75 -1.658 -2.804 -8.399 556 H LEU 76 H LEU 76 3.621 -2.491 -4.987 557 HA LEU 76 HA LEU 76 4.472 0.287 -5.479 558 HB2 LEU 76 1HB LEU 76 5.722 -1.623 -3.521 559 HB3 LEU 76 2HB LEU 76 5.994 0.113 -3.663 560 HG LEU 76 HG LEU 76 3.262 -0.862 -2.973 561 HD11 LEU 76 1HD1 LEU 76 3.721 -1.375 -0.806 562 HD12 LEU 76 2HD1 LEU 76 5.164 -0.364 -0.752 563 HD13 LEU 76 3HD1 LEU 76 5.219 -1.936 -1.548 564 HD21 LEU 76 1HD2 LEU 76 3.363 1.237 -1.595 565 HD22 LEU 76 2HD2 LEU 76 3.475 1.475 -3.339 566 HD23 LEU 76 3HD2 LEU 76 4.927 1.565 -2.341 567 H HIS 77 H HIS 77 5.348 0.131 -7.489 568 HA HIS 77 HA HIS 77 7.041 -2.060 -8.257 569 HB2 HIS 77 1HB HIS 77 6.987 0.506 -9.786 570 HB3 HIS 77 2HB HIS 77 7.024 -1.151 -10.381 571 HD1 HIS 77 1HD HIS 77 4.856 -2.082 -11.164 572 HD2 HIS 77 2HD HIS 77 4.342 1.244 -8.728 573 HE1 HIS 77 1HE HIS 77 2.393 -1.579 -11.224 574 HE2 HIS 77 2HE HIS 77 2.118 0.488 -9.812 575 H ALA 78 H ALA 78 9.210 -2.188 -8.213 576 HA ALA 78 HA ALA 78 11.401 -1.638 -7.885 577 HB1 ALA 78 1HB ALA 78 11.482 1.146 -7.636 578 HB2 ALA 78 2HB ALA 78 11.855 0.185 -9.068 579 HB3 ALA 78 3HB ALA 78 10.224 0.810 -8.826 580 H VAL 79 H VAL 79 10.200 -2.489 -5.716 581 HA VAL 79 HA VAL 79 10.147 -0.662 -3.532 582 HB VAL 79 HB VAL 79 10.015 -2.683 -2.108 583 HG11 VAL 79 1HG1 VAL 79 8.094 -3.462 -4.139 584 HG12 VAL 79 2HG1 VAL 79 7.828 -2.779 -2.534 585 HG13 VAL 79 3HG1 VAL 79 8.148 -1.715 -3.904 586 HG21 VAL 79 1HG2 VAL 79 9.686 -4.856 -3.534 587 HG22 VAL 79 2HG2 VAL 79 10.718 -4.010 -4.687 588 HG23 VAL 79 3HG2 VAL 79 11.303 -4.338 -3.056 589 H LYS 80 H LYS 80 11.806 0.165 -2.462 590 HA LYS 80 HA LYS 80 14.486 -0.789 -2.922 591 HB2 LYS 80 1HB LYS 80 13.332 1.470 -1.295 592 HB3 LYS 80 2HB LYS 80 15.046 1.076 -1.260 593 HG2 LYS 80 1HG LYS 80 14.992 2.721 -2.853 594 HG3 LYS 80 2HG LYS 80 14.854 1.274 -3.854 595 HD2 LYS 80 1HD LYS 80 13.204 2.704 -4.689 596 HD3 LYS 80 2HD LYS 80 12.319 1.600 -3.633 597 HE2 LYS 80 1HE LYS 80 12.388 3.273 -1.843 598 HE3 LYS 80 2HE LYS 80 13.263 4.373 -2.907 599 HZ1 LYS 80 1HZ LYS 80 11.093 3.736 -4.375 600 HZ2 LYS 80 2HZ LYS 80 11.242 5.127 -3.424 601 HZ3 LYS 80 3HZ LYS 80 10.451 3.764 -2.810 602 H HIS 81 H HIS 81 15.916 -1.611 -1.378 603 HA HIS 81 HA HIS 81 14.758 -3.362 0.537 604 HB2 HIS 81 1HB HIS 81 16.796 -4.038 -0.517 605 HB3 HIS 81 2HB HIS 81 17.616 -2.561 -0.020 606 HD1 HIS 81 1HD HIS 81 15.998 -5.579 1.642 607 HD2 HIS 81 2HD HIS 81 19.097 -2.873 2.220 608 HE1 HIS 81 1HE HIS 81 17.190 -6.355 3.716 609 HE2 HIS 81 2HE HIS 81 19.008 -4.653 4.094 610 H GLN 82 H GLN 82 16.364 -0.235 0.736 611 HA GLN 82 HA GLN 82 16.896 0.018 3.398 612 HB2 GLN 82 1HB GLN 82 16.586 2.409 3.150 613 HB3 GLN 82 2HB GLN 82 17.341 1.760 1.701 614 HG2 GLN 82 1HG GLN 82 15.000 1.683 0.710 615 HG3 GLN 82 2HG GLN 82 14.517 2.691 2.074 616 HE21 GLN 82 1HE2 GLN 82 14.081 4.554 1.039 617 HE22 GLN 82 2HE2 GLN 82 15.239 5.467 0.140 618 H ASP 83 H ASP 83 13.814 -0.333 1.929 619 HA ASP 83 HA ASP 83 12.467 0.424 4.433 620 HB2 ASP 83 1HB ASP 83 11.841 1.359 2.038 621 HB3 ASP 83 2HB ASP 83 10.949 -0.155 1.925 622 H SER 84 H SER 84 13.894 -2.055 4.129 623 HA SER 84 HA SER 84 12.339 -4.252 3.466 624 HB2 SER 84 1HB SER 84 13.828 -5.565 4.846 625 HB3 SER 84 2HB SER 84 14.773 -4.303 4.056 626 HG SER 84 HG SER 84 13.854 -4.363 6.737 627 H GLY 85 H GLY 85 10.874 -5.534 4.539 628 HA2 GLY 85 1HA GLY 85 9.191 -6.050 6.011 629 HA3 GLY 85 2HA GLY 85 10.220 -5.368 7.262 630 H ALA 86 H ALA 86 8.725 -3.799 4.453 631 HA ALA 86 HA ALA 86 7.901 -1.550 5.974 632 HB1 ALA 86 1HB ALA 86 6.710 -2.243 3.317 633 HB2 ALA 86 2HB ALA 86 7.105 -0.659 3.986 634 HB3 ALA 86 3HB ALA 86 8.394 -1.733 3.444 635 H LEU 87 H LEU 87 6.108 -1.212 7.121 636 HA LEU 87 HA LEU 87 4.162 -3.316 7.382 637 HB2 LEU 87 1HB LEU 87 5.126 -1.608 9.152 638 HB3 LEU 87 2HB LEU 87 3.766 -0.631 8.601 639 HG LEU 87 HG LEU 87 3.079 -1.776 10.567 640 HD11 LEU 87 1HD1 LEU 87 1.127 -2.801 9.824 641 HD12 LEU 87 2HD1 LEU 87 1.903 -3.453 8.380 642 HD13 LEU 87 3HD1 LEU 87 1.562 -1.726 8.495 643 HD21 LEU 87 1HD2 LEU 87 4.688 -3.512 10.744 644 HD22 LEU 87 2HD2 LEU 87 4.165 -4.243 9.226 645 HD23 LEU 87 3HD2 LEU 87 3.108 -4.289 10.638 646 H VAL 88 H VAL 88 2.978 -3.477 5.518 647 HA VAL 88 HA VAL 88 1.645 -1.087 4.485 648 HB VAL 88 HB VAL 88 1.599 -3.885 3.350 649 HG11 VAL 88 1HG1 VAL 88 1.235 -1.614 1.557 650 HG12 VAL 88 2HG1 VAL 88 0.300 -3.103 1.706 651 HG13 VAL 88 3HG1 VAL 88 -0.024 -1.745 2.784 652 HG21 VAL 88 1HG2 VAL 88 3.877 -2.675 3.549 653 HG22 VAL 88 2HG2 VAL 88 3.418 -3.378 1.998 654 HG23 VAL 88 3HG2 VAL 88 3.258 -1.642 2.261 655 H GLY 89 H GLY 89 -0.230 -0.580 5.411 656 HA2 GLY 89 1HA GLY 89 -2.196 -2.732 5.815 657 HA3 GLY 89 2HA GLY 89 -1.854 -1.620 7.132 658 H PHE 90 H PHE 90 -4.397 -2.034 5.908 659 HA PHE 90 HA PHE 90 -4.819 0.589 4.633 660 HB2 PHE 90 1HB PHE 90 -5.474 -0.928 2.995 661 HB3 PHE 90 2HB PHE 90 -6.105 -2.078 4.170 662 HD1 PHE 90 2HD PHE 90 -6.783 1.020 2.330 663 HD2 PHE 90 1HD PHE 90 -8.338 -1.895 5.014 664 HE1 PHE 90 2HE PHE 90 -9.051 1.898 1.963 665 HE2 PHE 90 1HE PHE 90 -10.610 -1.022 4.650 666 HZ PHE 90 HZ PHE 90 -10.969 0.878 3.125 667 H SER 91 H SER 91 -5.501 1.937 6.176 668 HA SER 91 HA SER 91 -7.277 0.978 8.280 669 HB2 SER 91 1HB SER 91 -6.843 3.073 9.390 670 HB3 SER 91 2HB SER 91 -5.304 2.445 8.799 671 HG SER 91 HG SER 91 -6.738 4.682 8.004 672 H CYS 92 H CYS 92 -9.402 1.335 8.327 673 HA CYS 92 HA CYS 92 -10.568 3.536 6.827 674 HB2 CYS 92 1HB CYS 92 -11.801 2.315 5.330 675 HB3 CYS 92 2HB CYS 92 -10.400 1.260 5.462 676 HG CYS 92 HG CYS 92 -13.309 0.821 7.212 677 HA PRO 93 HA PRO 93 -13.408 3.676 10.167 678 HB2 PRO 93 1HB PRO 93 -15.662 4.565 8.943 679 HB3 PRO 93 2HB PRO 93 -14.253 5.594 9.226 680 HG2 PRO 93 1HG PRO 93 -15.082 4.162 6.731 681 HG3 PRO 93 2HG PRO 93 -14.456 5.810 6.919 682 HD2 PRO 93 1HD PRO 93 -12.905 3.747 6.100 683 HD3 PRO 93 2HD PRO 93 -12.269 5.098 7.060 684 H GLY 94 H GLY 94 -13.339 1.260 10.298 685 HA2 GLY 94 1HA GLY 94 -15.548 -0.007 10.923 686 HA3 GLY 94 2HA GLY 94 -15.697 -0.067 9.173 687 H VAL 95 H VAL 95 -12.593 -0.205 9.226 688 HA VAL 95 HA VAL 95 -12.247 -2.953 10.154 689 HB VAL 95 HB VAL 95 -11.812 -2.086 7.296 690 HG11 VAL 95 1HG1 VAL 95 -9.899 -3.398 8.125 691 HG12 VAL 95 2HG1 VAL 95 -11.008 -4.690 8.589 692 HG13 VAL 95 3HG1 VAL 95 -10.819 -4.256 6.890 693 HG21 VAL 95 1HG2 VAL 95 -14.104 -2.837 8.070 694 HG22 VAL 95 2HG2 VAL 95 -13.411 -3.726 6.714 695 HG23 VAL 95 3HG2 VAL 95 -13.391 -4.428 8.331 696 H GLN 96 H GLN 96 -10.112 -3.530 10.571 697 HA GLN 96 HA GLN 96 -8.017 -1.569 10.043 698 HB2 GLN 96 1HB GLN 96 -8.599 -2.601 12.824 699 HB3 GLN 96 2HB GLN 96 -7.279 -1.532 12.368 700 HG2 GLN 96 1HG GLN 96 -8.918 0.176 11.708 701 HG3 GLN 96 2HG GLN 96 -10.217 -0.893 12.236 702 HE21 GLN 96 1HE2 GLN 96 -7.697 1.252 13.208 703 HE22 GLN 96 2HE2 GLN 96 -8.088 1.294 14.890 704 H ASP 97 H ASP 97 -6.595 -2.768 8.961 705 HA ASP 97 HA ASP 97 -5.495 -5.133 10.247 706 HB2 ASP 97 1HB ASP 97 -7.418 -5.776 8.636 707 HB3 ASP 97 2HB ASP 97 -6.288 -5.346 7.354 708 H SER 98 H SER 98 -3.506 -5.895 9.145 709 HA SER 98 HA SER 98 -2.240 -4.084 7.285 710 HB2 SER 98 1HB SER 98 -0.398 -3.439 8.709 711 HB3 SER 98 2HB SER 98 -1.902 -2.995 9.517 712 HG SER 98 HG SER 98 -1.573 -4.499 11.001 713 H ALA 99 H ALA 99 0.027 -4.823 6.783 714 HA ALA 99 HA ALA 99 0.406 -7.692 7.282 715 HB1 ALA 99 1HB ALA 99 0.911 -6.602 4.545 716 HB2 ALA 99 2HB ALA 99 0.602 -8.263 5.053 717 HB3 ALA 99 3HB ALA 99 -0.717 -7.093 5.017 718 H ALA 100 H ALA 100 2.640 -8.304 6.125 719 HA ALA 100 HA ALA 100 4.591 -6.225 6.873 720 HB1 ALA 100 1HB ALA 100 4.220 -8.498 8.289 721 HB2 ALA 100 2HB ALA 100 5.463 -9.019 7.151 722 HB3 ALA 100 3HB ALA 100 5.751 -7.627 8.195 723 H LEU 101 H LEU 101 5.627 -5.554 5.119 724 HA LEU 101 HA LEU 101 5.973 -7.372 2.855 725 HB2 LEU 101 1HB LEU 101 5.090 -5.348 2.126 726 HB3 LEU 101 2HB LEU 101 6.118 -4.404 3.203 727 HG LEU 101 HG LEU 101 8.065 -5.077 1.749 728 HD11 LEU 101 1HD1 LEU 101 6.556 -5.540 -0.623 729 HD12 LEU 101 2HD1 LEU 101 6.104 -6.740 0.587 730 HD13 LEU 101 3HD1 LEU 101 7.794 -6.552 0.121 731 HD21 LEU 101 1HD2 LEU 101 6.346 -3.645 -0.116 732 HD22 LEU 101 2HD2 LEU 101 7.819 -3.121 0.700 733 HD23 LEU 101 3HD2 LEU 101 6.265 -3.011 1.528 734 H THR 102 H THR 102 7.732 -8.613 3.075 735 HA THR 102 HA THR 102 10.167 -7.526 4.245 736 HB THR 102 HB THR 102 9.527 -10.317 3.272 737 HG1 THR 102 1HG THR 102 9.349 -8.993 5.733 738 HG21 THR 102 1HG2 THR 102 11.777 -9.968 5.104 739 HG22 THR 102 2HG2 THR 102 12.031 -9.215 3.530 740 HG23 THR 102 3HG2 THR 102 11.654 -10.934 3.635 741 H ILE 103 H ILE 103 12.017 -7.096 3.154 742 HA ILE 103 HA ILE 103 12.074 -7.670 0.268 743 HB ILE 103 HB ILE 103 13.020 -5.092 1.523 744 HG12 ILE 103 1HG1 ILE 103 10.716 -5.314 -0.385 745 HG13 ILE 103 2HG1 ILE 103 10.461 -5.597 1.333 746 HG21 ILE 103 1HG2 ILE 103 13.236 -6.290 -1.170 747 HG22 ILE 103 2HG2 ILE 103 12.852 -4.572 -1.097 748 HG23 ILE 103 3HG2 ILE 103 14.318 -5.180 -0.330 749 HD11 ILE 103 1HD1 ILE 103 11.263 -3.084 -0.065 750 HD12 ILE 103 2HD1 ILE 103 9.947 -3.360 1.077 751 HD13 ILE 103 3HD1 ILE 103 11.616 -3.317 1.647 752 H GLN 104 H GLN 104 13.696 -9.038 -0.058 753 HA GLN 104 HA GLN 104 15.988 -9.096 1.704 754 HB2 GLN 104 1HB GLN 104 15.352 -10.736 -0.755 755 HB3 GLN 104 2HB GLN 104 16.694 -11.030 0.343 756 HG2 GLN 104 1HG GLN 104 13.879 -10.983 1.349 757 HG3 GLN 104 2HG GLN 104 14.544 -12.424 0.583 758 HE21 GLN 104 1HE2 GLN 104 13.968 -11.057 3.463 759 HE22 GLN 104 2HE2 GLN 104 15.209 -11.795 4.412 760 H GLU 105 H GLU 105 18.206 -9.143 0.813 761 HA GLU 105 HA GLU 105 18.640 -6.841 -0.845 762 HB2 GLU 105 1HB GLU 105 20.654 -8.830 0.214 763 HB3 GLU 105 2HB GLU 105 21.008 -7.237 -0.441 764 HG2 GLU 105 1HG GLU 105 21.076 -6.743 1.767 765 HG3 GLU 105 2HG GLU 105 19.358 -6.478 1.477 766 H SER 106 H SER 106 19.016 -6.766 -2.966 767 HA SER 106 HA SER 106 19.222 -9.310 -4.415 768 HB2 SER 106 1HB SER 106 17.363 -7.714 -4.982 769 HB3 SER 106 2HB SER 106 18.587 -6.577 -5.546 770 HG SER 106 HG SER 106 17.598 -8.024 -7.165 771 H SER 107 H SER 107 21.531 -8.408 -3.133 772 HA SER 107 HA SER 107 23.201 -7.593 -5.422 773 HB2 SER 107 1HB SER 107 23.518 -6.929 -2.489 774 HB3 SER 107 2HB SER 107 24.784 -6.660 -3.687 775 HG SER 107 HG SER 107 23.709 -4.775 -3.643 776 H GLY 108 H GLY 108 24.714 -8.996 -6.037 777 HA2 GLY 108 1HA GLY 108 26.215 -10.613 -4.262 778 HA3 GLY 108 2HA GLY 108 24.934 -11.568 -4.994 779 HA PRO 109 HA PRO 109 28.741 -11.475 -7.746 780 HB2 PRO 109 1HB PRO 109 29.168 -14.156 -7.748 781 HB3 PRO 109 2HB PRO 109 29.875 -13.072 -6.545 782 HG2 PRO 109 1HG PRO 109 27.454 -14.819 -6.329 783 HG3 PRO 109 2HG PRO 109 28.747 -14.548 -5.146 784 HD2 PRO 109 1HD PRO 109 26.340 -13.318 -4.981 785 HD3 PRO 109 2HD PRO 109 27.844 -12.553 -4.428 786 H SER 110 H SER 110 29.033 -13.122 -9.700 787 HA SER 110 HA SER 110 26.553 -12.982 -11.174 788 HB2 SER 110 1HB SER 110 27.907 -13.671 -13.101 789 HB3 SER 110 2HB SER 110 28.682 -12.342 -12.240 790 HG SER 110 HG SER 110 30.329 -13.673 -12.332 791 H SER 111 H SER 111 26.181 -14.729 -9.135 792 HA SER 111 HA SER 111 25.691 -17.204 -10.572 793 HB2 SER 111 1HB SER 111 26.797 -18.650 -9.038 794 HB3 SER 111 2HB SER 111 27.968 -17.397 -9.448 795 HG SER 111 HG SER 111 28.070 -17.419 -7.300 796 H GLY 112 H GLY 112 23.770 -18.048 -10.035 797 HA2 GLY 112 1HA GLY 112 22.636 -18.078 -7.470 798 HA3 GLY 112 2HA GLY 112 22.005 -16.678 -8.325 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -19.003 11.001 24.844 2 HA2 GLY 1 1HA GLY 1 -17.027 9.138 23.681 3 HA3 GLY 1 2HA GLY 1 -18.765 8.994 23.464 4 H SER 2 H SER 2 -17.459 8.879 21.212 5 HA SER 2 HA SER 2 -17.562 11.591 20.063 6 HB2 SER 2 1HB SER 2 -15.330 10.683 19.873 7 HB3 SER 2 2HB SER 2 -15.953 9.179 19.195 8 HG SER 2 HG SER 2 -16.789 10.544 17.448 9 H SER 3 H SER 3 -19.515 11.841 19.176 10 HA SER 3 HA SER 3 -20.983 9.657 18.030 11 HB2 SER 3 1HB SER 3 -21.483 12.630 18.188 12 HB3 SER 3 2HB SER 3 -22.575 11.532 17.345 13 HG SER 3 HG SER 3 -21.987 10.566 19.785 14 H GLY 4 H GLY 4 -22.021 10.052 15.786 15 HA2 GLY 4 1HA GLY 4 -21.795 10.609 13.523 16 HA3 GLY 4 2HA GLY 4 -20.232 11.329 13.879 17 H SER 5 H SER 5 -19.103 10.319 12.255 18 HA SER 5 HA SER 5 -17.802 8.696 11.328 19 HB2 SER 5 1HB SER 5 -17.496 8.152 13.860 20 HB3 SER 5 2HB SER 5 -18.552 6.782 13.518 21 HG SER 5 HG SER 5 -17.007 5.854 12.401 22 H SER 6 H SER 6 -20.389 8.986 10.403 23 HA SER 6 HA SER 6 -21.804 6.528 10.254 24 HB2 SER 6 1HB SER 6 -23.140 7.622 8.524 25 HB3 SER 6 2HB SER 6 -22.873 8.728 9.872 26 HG SER 6 HG SER 6 -21.297 8.690 7.513 27 H GLY 7 H GLY 7 -22.205 5.332 8.221 28 HA2 GLY 7 1HA GLY 7 -21.497 4.169 6.366 29 HA3 GLY 7 2HA GLY 7 -20.371 5.482 6.053 30 H THR 8 H THR 8 -20.674 2.266 6.945 31 HA THR 8 HA THR 8 -17.808 2.094 7.446 32 HB THR 8 HB THR 8 -18.156 0.552 9.380 33 HG1 THR 8 1HG THR 8 -20.328 0.977 10.420 34 HG21 THR 8 1HG2 THR 8 -17.775 3.149 9.463 35 HG22 THR 8 2HG2 THR 8 -18.137 2.252 10.938 36 HG23 THR 8 3HG2 THR 8 -19.411 3.158 10.122 37 H ALA 9 H ALA 9 -16.955 -0.055 7.185 38 HA ALA 9 HA ALA 9 -18.774 -1.955 5.873 39 HB1 ALA 9 1HB ALA 9 -16.112 -1.026 4.810 40 HB2 ALA 9 2HB ALA 9 -16.995 -2.423 4.193 41 HB3 ALA 9 3HB ALA 9 -17.697 -0.810 4.067 42 H ARG 10 H ARG 10 -17.507 -4.102 5.474 43 HA ARG 10 HA ARG 10 -15.965 -4.695 7.915 44 HB2 ARG 10 1HB ARG 10 -18.122 -6.226 6.510 45 HB3 ARG 10 2HB ARG 10 -16.896 -7.097 7.422 46 HG2 ARG 10 1HG ARG 10 -17.489 -5.689 9.401 47 HG3 ARG 10 2HG ARG 10 -18.837 -5.048 8.459 48 HD2 ARG 10 1HD ARG 10 -18.389 -7.967 9.067 49 HD3 ARG 10 2HD ARG 10 -19.482 -6.911 9.960 50 HE ARG 10 HE ARG 10 -20.015 -6.941 7.147 51 HH11 ARG 10 2HH1 ARG 10 -20.556 -8.614 10.152 52 HH12 ARG 10 1HH1 ARG 10 -22.030 -9.356 9.625 53 HH21 ARG 10 2HH2 ARG 10 -21.955 -7.912 6.441 54 HH22 ARG 10 1HH2 ARG 10 -22.824 -8.956 7.513 55 H LEU 11 H LEU 11 -14.673 -6.811 7.633 56 HA LEU 11 HA LEU 11 -13.237 -6.626 5.073 57 HB2 LEU 11 1HB LEU 11 -11.929 -6.105 7.079 58 HB3 LEU 11 2HB LEU 11 -12.306 -7.698 7.734 59 HG LEU 11 HG LEU 11 -11.082 -8.685 5.775 60 HD11 LEU 11 1HD1 LEU 11 -11.279 -6.555 4.415 61 HD12 LEU 11 2HD1 LEU 11 -9.707 -7.354 4.406 62 HD13 LEU 11 3HD1 LEU 11 -9.962 -5.922 5.403 63 HD21 LEU 11 1HD2 LEU 11 -8.797 -7.913 6.683 64 HD22 LEU 11 2HD2 LEU 11 -9.904 -8.739 7.779 65 HD23 LEU 11 3HD2 LEU 11 -9.743 -6.984 7.846 66 H VAL 12 H VAL 12 -12.822 -8.433 3.859 67 HA VAL 12 HA VAL 12 -14.076 -10.941 4.771 68 HB VAL 12 HB VAL 12 -14.211 -11.281 2.132 69 HG11 VAL 12 1HG1 VAL 12 -16.129 -9.906 3.981 70 HG12 VAL 12 2HG1 VAL 12 -16.560 -10.248 2.304 71 HG13 VAL 12 3HG1 VAL 12 -16.148 -11.570 3.397 72 HG21 VAL 12 1HG2 VAL 12 -13.194 -8.911 1.919 73 HG22 VAL 12 2HG2 VAL 12 -14.546 -9.356 0.877 74 HG23 VAL 12 3HG2 VAL 12 -14.824 -8.355 2.302 75 H ALA 13 H ALA 13 -11.500 -9.462 2.868 76 HA ALA 13 HA ALA 13 -9.918 -11.909 3.239 77 HB1 ALA 13 1HB ALA 13 -9.383 -12.158 1.046 78 HB2 ALA 13 2HB ALA 13 -10.982 -11.440 0.848 79 HB3 ALA 13 3HB ALA 13 -9.540 -10.436 0.696 80 H GLY 14 H GLY 14 -9.044 -10.606 5.015 81 HA2 GLY 14 1HA GLY 14 -7.811 -8.150 4.821 82 HA3 GLY 14 2HA GLY 14 -7.276 -9.432 5.898 83 H LEU 15 H LEU 15 -5.680 -7.451 4.476 84 HA LEU 15 HA LEU 15 -4.410 -8.216 2.204 85 HB2 LEU 15 1HB LEU 15 -3.039 -7.202 4.690 86 HB3 LEU 15 2HB LEU 15 -2.397 -7.131 3.050 87 HG LEU 15 HG LEU 15 -4.995 -5.789 3.613 88 HD11 LEU 15 1HD1 LEU 15 -2.339 -4.956 4.678 89 HD12 LEU 15 2HD1 LEU 15 -3.939 -4.824 5.408 90 HD13 LEU 15 3HD1 LEU 15 -3.469 -3.726 4.110 91 HD21 LEU 15 1HD2 LEU 15 -2.657 -5.389 1.772 92 HD22 LEU 15 2HD2 LEU 15 -3.876 -4.137 2.016 93 HD23 LEU 15 3HD2 LEU 15 -4.343 -5.709 1.364 94 H GLU 16 H GLU 16 -2.378 -9.337 1.801 95 HA GLU 16 HA GLU 16 -1.953 -11.602 3.638 96 HB2 GLU 16 1HB GLU 16 -1.837 -11.648 0.616 97 HB3 GLU 16 2HB GLU 16 -1.467 -13.004 1.672 98 HG2 GLU 16 1HG GLU 16 -3.745 -13.079 2.449 99 HG3 GLU 16 2HG GLU 16 -4.142 -11.635 1.521 100 H ASP 17 H ASP 17 0.073 -11.910 4.308 101 HA ASP 17 HA ASP 17 2.106 -10.144 4.126 102 HB2 ASP 17 1HB ASP 17 3.633 -12.284 4.352 103 HB3 ASP 17 2HB ASP 17 2.539 -11.816 5.651 104 H VAL 18 H VAL 18 3.363 -9.360 2.576 105 HA VAL 18 HA VAL 18 3.805 -10.994 0.162 106 HB VAL 18 HB VAL 18 3.387 -8.008 0.328 107 HG11 VAL 18 1HG1 VAL 18 4.592 -7.798 -1.524 108 HG12 VAL 18 2HG1 VAL 18 4.910 -9.533 -1.544 109 HG13 VAL 18 3HG1 VAL 18 3.480 -8.888 -2.352 110 HG21 VAL 18 1HG2 VAL 18 1.625 -8.839 -1.491 111 HG22 VAL 18 2HG2 VAL 18 1.727 -10.311 -0.524 112 HG23 VAL 18 3HG2 VAL 18 1.254 -8.790 0.232 113 H GLN 19 H GLN 19 5.864 -11.397 -0.297 114 HA GLN 19 HA GLN 19 7.926 -9.555 0.705 115 HB2 GLN 19 1HB GLN 19 9.245 -11.270 1.564 116 HB3 GLN 19 2HB GLN 19 7.621 -11.760 2.027 117 HG2 GLN 19 1HG GLN 19 7.546 -13.269 0.088 118 HG3 GLN 19 2HG GLN 19 9.200 -12.808 -0.310 119 HE21 GLN 19 1HE2 GLN 19 10.310 -14.621 0.046 120 HE22 GLN 19 2HE2 GLN 19 10.344 -15.488 1.540 121 H VAL 20 H VAL 20 9.280 -8.878 -0.819 122 HA VAL 20 HA VAL 20 9.802 -10.583 -3.145 123 HB VAL 20 HB VAL 20 9.544 -8.710 -4.693 124 HG11 VAL 20 1HG1 VAL 20 7.360 -9.131 -4.999 125 HG12 VAL 20 2HG1 VAL 20 7.548 -10.214 -3.619 126 HG13 VAL 20 3HG1 VAL 20 6.924 -8.581 -3.381 127 HG21 VAL 20 1HG2 VAL 20 8.432 -6.633 -3.930 128 HG22 VAL 20 2HG2 VAL 20 8.589 -7.194 -2.265 129 HG23 VAL 20 3HG2 VAL 20 10.031 -6.860 -3.223 130 H TYR 21 H TYR 21 11.707 -9.933 -4.366 131 HA TYR 21 HA TYR 21 13.828 -9.112 -2.613 132 HB2 TYR 21 1HB TYR 21 13.644 -10.132 -5.414 133 HB3 TYR 21 2HB TYR 21 15.117 -9.307 -4.916 134 HD1 TYR 21 1HD TYR 21 12.835 -11.765 -3.254 135 HD2 TYR 21 2HD TYR 21 16.799 -10.815 -4.473 136 HE1 TYR 21 1HE TYR 21 13.644 -13.847 -2.224 137 HE2 TYR 21 2HE TYR 21 17.619 -12.895 -3.447 138 HH TYR 21 HH TYR 21 16.868 -14.460 -1.609 139 H ASP 22 H ASP 22 15.397 -7.434 -3.189 140 HA ASP 22 HA ASP 22 14.241 -4.924 -3.471 141 HB2 ASP 22 1HB ASP 22 16.453 -5.280 -2.469 142 HB3 ASP 22 2HB ASP 22 17.101 -5.731 -4.044 143 H GLY 23 H GLY 23 13.947 -3.510 -5.150 144 HA2 GLY 23 1HA GLY 23 13.993 -2.724 -7.342 145 HA3 GLY 23 2HA GLY 23 14.906 -4.152 -7.807 146 H GLU 24 H GLU 24 12.790 -5.822 -6.400 147 HA GLU 24 HA GLU 24 11.236 -6.374 -8.705 148 HB2 GLU 24 1HB GLU 24 10.831 -7.290 -5.852 149 HB3 GLU 24 2HB GLU 24 10.049 -7.981 -7.266 150 HG2 GLU 24 1HG GLU 24 12.972 -8.049 -6.575 151 HG3 GLU 24 2HG GLU 24 11.848 -9.405 -6.646 152 H ASP 25 H ASP 25 8.696 -6.790 -8.048 153 HA ASP 25 HA ASP 25 7.695 -4.122 -7.295 154 HB2 ASP 25 1HB ASP 25 5.642 -5.085 -8.719 155 HB3 ASP 25 2HB ASP 25 6.981 -4.213 -9.461 156 H ALA 26 H ALA 26 6.800 -4.152 -5.348 157 HA ALA 26 HA ALA 26 5.538 -6.607 -4.373 158 HB1 ALA 26 1HB ALA 26 5.454 -5.111 -2.213 159 HB2 ALA 26 2HB ALA 26 6.947 -5.910 -2.708 160 HB3 ALA 26 3HB ALA 26 6.702 -4.200 -3.065 161 H VAL 27 H VAL 27 3.409 -6.831 -4.463 162 HA VAL 27 HA VAL 27 1.723 -4.419 -4.351 163 HB VAL 27 HB VAL 27 1.425 -4.917 -6.573 164 HG11 VAL 27 1HG1 VAL 27 1.503 -7.107 -7.567 165 HG12 VAL 27 2HG1 VAL 27 2.905 -6.909 -6.513 166 HG13 VAL 27 3HG1 VAL 27 1.527 -7.871 -5.978 167 HG21 VAL 27 1HG2 VAL 27 -0.733 -5.054 -5.340 168 HG22 VAL 27 2HG2 VAL 27 -0.725 -5.947 -6.861 169 HG23 VAL 27 3HG2 VAL 27 -0.567 -6.810 -5.331 170 H PHE 28 H PHE 28 -0.377 -4.711 -3.460 171 HA PHE 28 HA PHE 28 -0.715 -7.194 -1.913 172 HB2 PHE 28 1HB PHE 28 -1.046 -4.342 -0.993 173 HB3 PHE 28 2HB PHE 28 -1.791 -5.692 -0.143 174 HD1 PHE 28 1HD PHE 28 -0.414 -7.347 1.011 175 HD2 PHE 28 2HD PHE 28 1.309 -3.944 -0.878 176 HE1 PHE 28 1HE PHE 28 1.675 -7.717 2.258 177 HE2 PHE 28 2HE PHE 28 3.401 -4.309 0.365 178 HZ PHE 28 HZ PHE 28 3.586 -6.197 1.935 179 H SER 29 H SER 29 -3.041 -7.315 -1.022 180 HA SER 29 HA SER 29 -5.068 -6.042 -2.628 181 HB2 SER 29 1HB SER 29 -5.957 -8.049 -3.648 182 HB3 SER 29 2HB SER 29 -4.258 -7.897 -4.097 183 HG SER 29 HG SER 29 -3.741 -9.476 -2.617 184 H LEU 30 H LEU 30 -7.087 -6.142 -1.700 185 HA LEU 30 HA LEU 30 -7.637 -7.973 0.465 186 HB2 LEU 30 1HB LEU 30 -7.909 -6.385 2.188 187 HB3 LEU 30 2HB LEU 30 -6.323 -6.090 1.479 188 HG LEU 30 HG LEU 30 -7.721 -4.304 0.080 189 HD11 LEU 30 1HD1 LEU 30 -9.285 -4.752 2.603 190 HD12 LEU 30 2HD1 LEU 30 -9.872 -4.659 0.943 191 HD13 LEU 30 3HD1 LEU 30 -9.291 -3.206 1.755 192 HD21 LEU 30 1HD2 LEU 30 -7.079 -2.641 1.839 193 HD22 LEU 30 2HD2 LEU 30 -5.781 -3.724 1.338 194 HD23 LEU 30 3HD2 LEU 30 -6.618 -3.997 2.867 195 H ASP 31 H ASP 31 -9.794 -8.288 0.770 196 HA ASP 31 HA ASP 31 -11.586 -6.733 -0.969 197 HB2 ASP 31 1HB ASP 31 -11.924 -9.514 0.176 198 HB3 ASP 31 2HB ASP 31 -13.101 -8.687 -0.840 199 H LEU 32 H LEU 32 -13.763 -6.309 -0.181 200 HA LEU 32 HA LEU 32 -13.964 -6.194 2.749 201 HB2 LEU 32 1HB LEU 32 -14.804 -3.966 0.906 202 HB3 LEU 32 2HB LEU 32 -14.830 -3.959 2.668 203 HG LEU 32 HG LEU 32 -12.325 -4.067 0.989 204 HD11 LEU 32 1HD1 LEU 32 -14.008 -1.903 1.329 205 HD12 LEU 32 2HD1 LEU 32 -12.306 -1.845 0.872 206 HD13 LEU 32 3HD1 LEU 32 -12.770 -1.674 2.565 207 HD21 LEU 32 1HD2 LEU 32 -11.748 -3.110 3.521 208 HD22 LEU 32 2HD2 LEU 32 -11.396 -4.724 2.903 209 HD23 LEU 32 3HD2 LEU 32 -12.880 -4.431 3.811 210 H SER 33 H SER 33 -16.309 -5.456 3.342 211 HA SER 33 HA SER 33 -18.076 -7.365 2.078 212 HB2 SER 33 1HB SER 33 -18.089 -7.216 4.506 213 HB3 SER 33 2HB SER 33 -18.493 -5.501 4.427 214 HG SER 33 HG SER 33 -20.191 -7.243 3.088 215 H THR 34 H THR 34 -17.675 -3.894 2.255 216 HA THR 34 HA THR 34 -19.475 -3.554 0.015 217 HB THR 34 HB THR 34 -20.879 -3.419 2.161 218 HG1 THR 34 1HG THR 34 -21.388 -2.494 0.010 219 HG21 THR 34 1HG2 THR 34 -19.610 -0.688 2.333 220 HG22 THR 34 2HG2 THR 34 -19.170 -2.037 3.381 221 HG23 THR 34 3HG2 THR 34 -20.810 -1.389 3.419 222 H ILE 35 H ILE 35 -19.536 -1.201 -0.671 223 HA ILE 35 HA ILE 35 -16.944 -0.260 -1.091 224 HB ILE 35 HB ILE 35 -19.497 1.347 -1.239 225 HG12 ILE 35 1HG1 ILE 35 -18.095 -0.139 -3.465 226 HG13 ILE 35 2HG1 ILE 35 -19.454 -0.804 -2.565 227 HG21 ILE 35 1HG2 ILE 35 -18.233 3.056 -1.870 228 HG22 ILE 35 2HG2 ILE 35 -16.786 2.086 -1.600 229 HG23 ILE 35 3HG2 ILE 35 -17.563 2.090 -3.184 230 HD11 ILE 35 1HD1 ILE 35 -20.960 0.616 -3.529 231 HD12 ILE 35 2HD1 ILE 35 -19.751 1.861 -3.846 232 HD13 ILE 35 3HD1 ILE 35 -19.810 0.412 -4.850 233 H ILE 36 H ILE 36 -15.708 1.334 -0.173 234 HA ILE 36 HA ILE 36 -16.649 3.089 1.858 235 HB ILE 36 HB ILE 36 -16.539 0.940 3.133 236 HG12 ILE 36 1HG1 ILE 36 -14.415 2.760 4.209 237 HG13 ILE 36 2HG1 ILE 36 -16.056 3.366 4.012 238 HG21 ILE 36 1HG2 ILE 36 -14.326 0.051 3.719 239 HG22 ILE 36 2HG2 ILE 36 -14.655 -0.077 1.992 240 HG23 ILE 36 3HG2 ILE 36 -13.583 1.187 2.593 241 HD11 ILE 36 1HD1 ILE 36 -14.948 1.628 6.041 242 HD12 ILE 36 2HD1 ILE 36 -16.446 2.560 6.040 243 HD13 ILE 36 3HD1 ILE 36 -16.403 0.957 5.306 244 H GLN 37 H GLN 37 -15.168 4.690 2.353 245 HA GLN 37 HA GLN 37 -12.788 4.722 0.653 246 HB2 GLN 37 1HB GLN 37 -14.595 6.603 0.789 247 HB3 GLN 37 2HB GLN 37 -13.742 7.069 2.255 248 HG2 GLN 37 1HG GLN 37 -11.638 7.097 0.818 249 HG3 GLN 37 2HG GLN 37 -12.730 7.038 -0.565 250 HE21 GLN 37 1HE2 GLN 37 -10.905 9.079 1.036 251 HE22 GLN 37 2HE2 GLN 37 -11.840 10.528 0.939 252 H GLY 38 H GLY 38 -10.956 4.050 1.546 253 HA2 GLY 38 1HA GLY 38 -10.481 4.703 4.390 254 HA3 GLY 38 2HA GLY 38 -9.931 3.210 3.643 255 H THR 39 H THR 39 -7.854 3.970 4.580 256 HA THR 39 HA THR 39 -6.424 5.566 2.578 257 HB THR 39 HB THR 39 -6.285 6.011 5.563 258 HG1 THR 39 1HG THR 39 -6.612 8.041 3.652 259 HG21 THR 39 1HG2 THR 39 -4.661 7.896 4.385 260 HG22 THR 39 2HG2 THR 39 -4.279 6.428 3.484 261 HG23 THR 39 3HG2 THR 39 -4.111 6.455 5.239 262 H TRP 40 H TRP 40 -4.338 4.926 2.186 263 HA TRP 40 HA TRP 40 -3.588 2.338 3.291 264 HB2 TRP 40 1HB TRP 40 -2.677 3.964 0.936 265 HB3 TRP 40 2HB TRP 40 -1.693 2.629 1.531 266 HD1 TRP 40 HD TRP 40 -4.848 3.375 -0.425 267 HE1 TRP 40 1HE TRP 40 -5.800 1.176 -1.366 268 HE3 TRP 40 3HE TRP 40 -1.867 0.061 2.079 269 HZ2 TRP 40 2HZ TRP 40 -5.348 -1.595 -1.084 270 HZ3 TRP 40 3HZ TRP 40 -2.192 -2.347 1.687 271 HH2 TRP 40 HH TRP 40 -3.897 -3.156 0.138 272 H PHE 41 H PHE 41 -1.835 1.954 4.551 273 HA PHE 41 HA PHE 41 -0.294 4.312 5.416 274 HB2 PHE 41 1HB PHE 41 -1.379 1.962 6.904 275 HB3 PHE 41 2HB PHE 41 0.126 2.683 7.464 276 HD1 PHE 41 2HD PHE 41 -3.247 3.816 6.329 277 HD2 PHE 41 1HD PHE 41 -0.054 4.262 9.108 278 HE1 PHE 41 2HE PHE 41 -4.526 5.551 7.515 279 HE2 PHE 41 1HE PHE 41 -1.328 5.997 10.299 280 HZ PHE 41 HZ PHE 41 -3.566 6.644 9.503 281 H LEU 42 H LEU 42 1.940 3.945 6.018 282 HA LEU 42 HA LEU 42 3.173 1.523 4.948 283 HB2 LEU 42 1HB LEU 42 3.199 3.052 3.081 284 HB3 LEU 42 2HB LEU 42 3.889 4.322 4.090 285 HG LEU 42 HG LEU 42 5.986 3.181 4.214 286 HD11 LEU 42 1HD1 LEU 42 5.921 0.955 4.289 287 HD12 LEU 42 2HD1 LEU 42 5.885 1.014 2.527 288 HD13 LEU 42 3HD1 LEU 42 4.379 0.883 3.435 289 HD21 LEU 42 1HD2 LEU 42 6.660 3.184 1.894 290 HD22 LEU 42 2HD2 LEU 42 5.530 4.507 2.185 291 HD23 LEU 42 3HD2 LEU 42 4.980 3.040 1.374 292 H ASN 43 H ASN 43 4.323 0.760 6.589 293 HA ASN 43 HA ASN 43 5.762 0.617 8.344 294 HB2 ASN 43 1HB ASN 43 6.722 3.163 7.052 295 HB3 ASN 43 2HB ASN 43 7.479 2.530 8.510 296 HD21 ASN 43 1HD2 ASN 43 7.662 2.594 5.244 297 HD22 ASN 43 2HD2 ASN 43 8.566 1.146 4.972 298 H GLY 44 H GLY 44 3.221 1.517 8.948 299 HA2 GLY 44 1HA GLY 44 2.171 2.275 10.868 300 HA3 GLY 44 2HA GLY 44 3.724 2.867 11.441 301 H GLU 45 H GLU 45 3.728 4.188 8.564 302 HA GLU 45 HA GLU 45 2.525 6.672 9.532 303 HB2 GLU 45 1HB GLU 45 4.654 5.983 7.572 304 HB3 GLU 45 2HB GLU 45 3.723 7.443 7.270 305 HG2 GLU 45 1HG GLU 45 4.997 6.928 9.930 306 HG3 GLU 45 2HG GLU 45 5.898 7.646 8.596 307 H GLU 46 H GLU 46 1.676 8.083 7.587 308 HA GLU 46 HA GLU 46 -0.313 6.427 6.187 309 HB2 GLU 46 1HB GLU 46 -1.272 8.033 7.765 310 HB3 GLU 46 2HB GLU 46 -0.430 9.348 6.956 311 HG2 GLU 46 1HG GLU 46 -1.722 8.591 4.861 312 HG3 GLU 46 2HG GLU 46 -2.756 7.732 6.001 313 H LEU 47 H LEU 47 -0.650 6.658 4.007 314 HA LEU 47 HA LEU 47 1.512 7.927 2.531 315 HB2 LEU 47 1HB LEU 47 -0.725 6.083 1.730 316 HB3 LEU 47 2HB LEU 47 0.377 6.813 0.565 317 HG LEU 47 HG LEU 47 1.307 5.057 2.828 318 HD11 LEU 47 1HD1 LEU 47 0.732 3.223 1.719 319 HD12 LEU 47 2HD1 LEU 47 1.425 3.840 0.220 320 HD13 LEU 47 3HD1 LEU 47 -0.236 4.243 0.654 321 HD21 LEU 47 1HD2 LEU 47 3.277 4.810 1.301 322 HD22 LEU 47 2HD2 LEU 47 3.054 6.429 1.965 323 HD23 LEU 47 3HD2 LEU 47 2.583 6.086 0.300 324 H LYS 48 H LYS 48 1.032 9.202 0.587 325 HA LYS 48 HA LYS 48 -1.427 10.798 0.896 326 HB2 LYS 48 1HB LYS 48 -0.008 12.683 -0.110 327 HB3 LYS 48 2HB LYS 48 0.287 12.254 1.570 328 HG2 LYS 48 1HG LYS 48 2.344 11.374 1.132 329 HG3 LYS 48 2HG LYS 48 1.923 10.924 -0.522 330 HD2 LYS 48 1HD LYS 48 2.215 13.114 -1.309 331 HD3 LYS 48 2HD LYS 48 2.153 13.799 0.316 332 HE2 LYS 48 1HE LYS 48 4.334 11.945 -0.615 333 HE3 LYS 48 2HE LYS 48 4.437 13.699 -0.749 334 HZ1 LYS 48 1HZ LYS 48 4.823 12.027 1.538 335 HZ2 LYS 48 2HZ LYS 48 3.714 13.267 1.844 336 HZ3 LYS 48 3HZ LYS 48 5.270 13.641 1.297 337 H SER 49 H SER 49 -2.306 9.216 -0.644 338 HA SER 49 HA SER 49 -1.557 8.492 -3.095 339 HB2 SER 49 1HB SER 49 -3.896 8.623 -3.837 340 HB3 SER 49 2HB SER 49 -3.794 8.023 -2.182 341 HG SER 49 HG SER 49 -4.088 10.395 -1.659 342 H ASN 50 H ASN 50 -2.877 11.710 -2.364 343 HA ASN 50 HA ASN 50 -2.985 12.884 -4.800 344 HB2 ASN 50 1HB ASN 50 -2.131 13.937 -2.129 345 HB3 ASN 50 2HB ASN 50 -2.026 14.982 -3.542 346 HD21 ASN 50 1HD2 ASN 50 -4.000 13.818 -1.103 347 HD22 ASN 50 2HD2 ASN 50 -5.518 14.380 -1.707 348 H GLU 51 H GLU 51 -1.583 13.948 -6.207 349 HA GLU 51 HA GLU 51 0.875 12.758 -6.706 350 HB2 GLU 51 1HB GLU 51 -0.374 15.335 -7.598 351 HB3 GLU 51 2HB GLU 51 1.278 14.950 -8.060 352 HG2 GLU 51 1HG GLU 51 0.547 12.938 -9.166 353 HG3 GLU 51 2HG GLU 51 -1.107 13.202 -8.617 354 HA PRO 52 HA PRO 52 3.482 14.594 -3.634 355 HB2 PRO 52 1HB PRO 52 5.848 13.741 -4.654 356 HB3 PRO 52 2HB PRO 52 4.736 12.675 -3.788 357 HG2 PRO 52 1HG PRO 52 5.127 13.010 -6.737 358 HG3 PRO 52 2HG PRO 52 4.920 11.520 -5.798 359 HD2 PRO 52 1HD PRO 52 2.897 12.653 -7.196 360 HD3 PRO 52 2HD PRO 52 2.630 11.759 -5.686 361 H GLU 53 H GLU 53 3.709 16.748 -3.672 362 HA GLU 53 HA GLU 53 5.580 17.921 -5.563 363 HB2 GLU 53 1HB GLU 53 4.083 19.697 -6.252 364 HB3 GLU 53 2HB GLU 53 3.372 18.139 -6.653 365 HG2 GLU 53 1HG GLU 53 1.964 18.288 -4.644 366 HG3 GLU 53 2HG GLU 53 2.645 19.878 -4.307 367 H GLY 54 H GLY 54 6.774 19.517 -4.674 368 HA2 GLY 54 1HA GLY 54 6.953 21.452 -3.221 369 HA3 GLY 54 2HA GLY 54 5.849 20.651 -2.112 370 H GLN 55 H GLN 55 6.643 18.671 -1.052 371 HA GLN 55 HA GLN 55 9.420 19.043 -0.255 372 HB2 GLN 55 1HB GLN 55 7.301 18.645 1.281 373 HB3 GLN 55 2HB GLN 55 7.668 16.955 0.960 374 HG2 GLN 55 1HG GLN 55 9.952 17.322 1.810 375 HG3 GLN 55 2HG GLN 55 9.512 18.984 2.202 376 HE21 GLN 55 1HE2 GLN 55 9.970 18.610 4.387 377 HE22 GLN 55 2HE2 GLN 55 8.894 17.713 5.398 378 H VAL 56 H VAL 56 7.308 16.507 -1.548 379 HA VAL 56 HA VAL 56 9.659 14.818 -2.030 380 HB VAL 56 HB VAL 56 6.718 14.145 -2.194 381 HG11 VAL 56 1HG1 VAL 56 7.968 12.829 -3.792 382 HG12 VAL 56 2HG1 VAL 56 9.150 12.397 -2.555 383 HG13 VAL 56 3HG1 VAL 56 7.489 11.814 -2.433 384 HG21 VAL 56 1HG2 VAL 56 6.925 14.010 0.029 385 HG22 VAL 56 2HG2 VAL 56 7.857 12.545 -0.279 386 HG23 VAL 56 3HG2 VAL 56 8.686 14.083 -0.039 387 H GLU 57 H GLU 57 10.493 14.625 -4.002 388 HA GLU 57 HA GLU 57 9.547 16.122 -6.192 389 HB2 GLU 57 1HB GLU 57 11.293 15.041 -7.479 390 HB3 GLU 57 2HB GLU 57 11.909 15.464 -5.887 391 HG2 GLU 57 1HG GLU 57 11.446 13.097 -5.192 392 HG3 GLU 57 2HG GLU 57 11.116 12.745 -6.888 393 HA PRO 58 HA PRO 58 6.539 13.523 -8.059 394 HB2 PRO 58 1HB PRO 58 6.858 14.193 -10.671 395 HB3 PRO 58 2HB PRO 58 6.108 15.270 -9.487 396 HG2 PRO 58 1HG PRO 58 8.909 15.272 -10.542 397 HG3 PRO 58 2HG PRO 58 7.821 16.642 -10.256 398 HD2 PRO 58 1HD PRO 58 9.796 15.966 -8.531 399 HD3 PRO 58 2HD PRO 58 8.264 16.684 -7.994 400 H GLY 59 H GLY 59 9.878 13.199 -8.745 401 HA2 GLY 59 1HA GLY 59 9.373 10.652 -10.155 402 HA3 GLY 59 2HA GLY 59 10.811 11.635 -10.390 403 H ALA 60 H ALA 60 9.248 10.772 -7.335 404 HA ALA 60 HA ALA 60 11.776 9.874 -6.274 405 HB1 ALA 60 1HB ALA 60 9.037 9.904 -5.010 406 HB2 ALA 60 2HB ALA 60 10.560 9.595 -4.175 407 HB3 ALA 60 3HB ALA 60 10.250 11.179 -4.885 408 H LEU 61 H LEU 61 8.601 8.296 -6.002 409 HA LEU 61 HA LEU 61 9.844 5.778 -6.875 410 HB2 LEU 61 1HB LEU 61 9.128 4.596 -5.062 411 HB3 LEU 61 2HB LEU 61 9.456 6.156 -4.310 412 HG LEU 61 HG LEU 61 6.872 6.512 -4.848 413 HD11 LEU 61 1HD1 LEU 61 5.974 4.641 -5.681 414 HD12 LEU 61 2HD1 LEU 61 6.051 4.045 -4.024 415 HD13 LEU 61 3HD1 LEU 61 7.333 3.643 -5.165 416 HD21 LEU 61 1HD2 LEU 61 8.237 5.208 -2.530 417 HD22 LEU 61 2HD2 LEU 61 6.487 5.425 -2.520 418 HD23 LEU 61 3HD2 LEU 61 7.549 6.827 -2.661 419 H ARG 62 H ARG 62 8.338 4.183 -7.679 420 HA ARG 62 HA ARG 62 5.956 5.439 -8.858 421 HB2 ARG 62 1HB ARG 62 7.727 3.180 -9.754 422 HB3 ARG 62 2HB ARG 62 6.111 3.386 -10.416 423 HG2 ARG 62 1HG ARG 62 7.424 4.487 -11.955 424 HG3 ARG 62 2HG ARG 62 6.886 5.805 -10.911 425 HD2 ARG 62 1HD ARG 62 8.974 5.817 -9.741 426 HD3 ARG 62 2HD ARG 62 9.502 4.352 -10.567 427 HE ARG 62 HE ARG 62 8.915 6.515 -12.357 428 HH11 ARG 62 2HH1 ARG 62 11.339 5.094 -10.302 429 HH12 ARG 62 1HH1 ARG 62 12.668 5.792 -11.167 430 HH21 ARG 62 2HH2 ARG 62 10.656 7.439 -13.505 431 HH22 ARG 62 1HH2 ARG 62 12.278 7.126 -12.988 432 H TYR 63 H TYR 63 4.016 4.830 -8.176 433 HA TYR 63 HA TYR 63 3.558 2.110 -7.258 434 HB2 TYR 63 1HB TYR 63 2.546 2.818 -5.141 435 HB3 TYR 63 2HB TYR 63 4.241 3.287 -5.214 436 HD1 TYR 63 1HD TYR 63 4.484 5.750 -6.432 437 HD2 TYR 63 2HD TYR 63 1.180 4.368 -4.136 438 HE1 TYR 63 1HE TYR 63 3.865 8.077 -5.934 439 HE2 TYR 63 2HE TYR 63 0.551 6.691 -3.632 440 HH TYR 63 HH TYR 63 2.609 9.374 -4.463 441 H ARG 64 H ARG 64 1.228 1.689 -6.874 442 HA ARG 64 HA ARG 64 -0.550 3.567 -8.255 443 HB2 ARG 64 1HB ARG 64 0.256 1.810 -9.859 444 HB3 ARG 64 2HB ARG 64 -0.516 0.603 -8.840 445 HG2 ARG 64 1HG ARG 64 -2.673 1.443 -9.315 446 HG3 ARG 64 2HG ARG 64 -2.016 2.905 -10.053 447 HD2 ARG 64 1HD ARG 64 -1.373 0.197 -11.163 448 HD3 ARG 64 2HD ARG 64 -2.881 1.009 -11.581 449 HE ARG 64 HE ARG 64 -0.977 2.883 -12.074 450 HH11 ARG 64 2HH1 ARG 64 -1.456 -0.414 -13.085 451 HH12 ARG 64 1HH1 ARG 64 -0.671 -0.196 -14.614 452 HH21 ARG 64 2HH2 ARG 64 0.058 3.182 -14.084 453 HH22 ARG 64 1HH2 ARG 64 0.190 1.850 -15.181 454 H ILE 65 H ILE 65 -2.344 3.914 -7.128 455 HA ILE 65 HA ILE 65 -3.154 1.896 -5.137 456 HB ILE 65 HB ILE 65 -3.545 4.889 -5.026 457 HG12 ILE 65 1HG1 ILE 65 -1.888 3.122 -3.219 458 HG13 ILE 65 2HG1 ILE 65 -1.220 4.003 -4.589 459 HG21 ILE 65 1HG2 ILE 65 -4.720 4.632 -3.040 460 HG22 ILE 65 2HG2 ILE 65 -5.345 3.322 -4.041 461 HG23 ILE 65 3HG2 ILE 65 -4.143 2.984 -2.796 462 HD11 ILE 65 1HD1 ILE 65 -0.823 5.215 -2.548 463 HD12 ILE 65 2HD1 ILE 65 -1.961 6.108 -3.557 464 HD13 ILE 65 3HD1 ILE 65 -2.544 5.196 -2.166 465 H GLU 66 H GLU 66 -4.838 0.802 -5.919 466 HA GLU 66 HA GLU 66 -6.902 2.263 -7.418 467 HB2 GLU 66 1HB GLU 66 -6.225 -0.679 -7.314 468 HB3 GLU 66 2HB GLU 66 -7.643 -0.036 -8.130 469 HG2 GLU 66 1HG GLU 66 -4.768 0.550 -8.795 470 HG3 GLU 66 2HG GLU 66 -5.888 -0.444 -9.725 471 H GLN 67 H GLN 67 -8.735 2.723 -6.414 472 HA GLN 67 HA GLN 67 -9.595 0.998 -4.186 473 HB2 GLN 67 1HB GLN 67 -8.767 3.125 -3.317 474 HB3 GLN 67 2HB GLN 67 -9.847 4.003 -4.393 475 HG2 GLN 67 1HG GLN 67 -11.041 2.041 -2.515 476 HG3 GLN 67 2HG GLN 67 -10.442 3.565 -1.862 477 HE21 GLN 67 1HE2 GLN 67 -13.164 2.186 -2.634 478 HE22 GLN 67 2HE2 GLN 67 -14.054 3.504 -3.308 479 H LYS 68 H LYS 68 -11.110 -0.187 -5.260 480 HA LYS 68 HA LYS 68 -13.353 1.319 -6.439 481 HB2 LYS 68 1HB LYS 68 -11.806 -0.189 -7.944 482 HB3 LYS 68 2HB LYS 68 -12.763 -1.497 -7.262 483 HG2 LYS 68 1HG LYS 68 -14.148 0.857 -8.457 484 HG3 LYS 68 2HG LYS 68 -13.459 -0.381 -9.511 485 HD2 LYS 68 1HD LYS 68 -15.250 -1.116 -7.220 486 HD3 LYS 68 2HD LYS 68 -15.918 -0.620 -8.777 487 HE2 LYS 68 1HE LYS 68 -14.840 -2.427 -9.897 488 HE3 LYS 68 2HE LYS 68 -13.895 -2.830 -8.465 489 HZ1 LYS 68 1HZ LYS 68 -16.799 -2.873 -8.196 490 HZ2 LYS 68 2HZ LYS 68 -15.633 -3.879 -7.497 491 HZ3 LYS 68 3HZ LYS 68 -16.097 -4.114 -9.107 492 H GLY 69 H GLY 69 -14.680 1.346 -4.662 493 HA2 GLY 69 1HA GLY 69 -16.158 0.555 -3.093 494 HA3 GLY 69 2HA GLY 69 -16.355 -0.813 -4.178 495 H LEU 70 H LEU 70 -16.168 -2.646 -3.085 496 HA LEU 70 HA LEU 70 -14.548 -2.793 -0.692 497 HB2 LEU 70 1HB LEU 70 -15.374 -5.287 -0.929 498 HB3 LEU 70 2HB LEU 70 -16.429 -4.010 -0.326 499 HG LEU 70 HG LEU 70 -16.479 -4.600 -3.241 500 HD11 LEU 70 1HD1 LEU 70 -17.394 -6.633 -3.112 501 HD12 LEU 70 2HD1 LEU 70 -18.353 -6.215 -1.693 502 HD13 LEU 70 3HD1 LEU 70 -16.670 -6.708 -1.505 503 HD21 LEU 70 1HD2 LEU 70 -18.970 -4.329 -1.765 504 HD22 LEU 70 2HD2 LEU 70 -18.376 -3.429 -3.160 505 HD23 LEU 70 3HD2 LEU 70 -17.886 -2.958 -1.532 506 H GLN 71 H GLN 71 -13.145 -2.350 -3.173 507 HA GLN 71 HA GLN 71 -11.372 -4.680 -3.072 508 HB2 GLN 71 1HB GLN 71 -13.030 -4.541 -5.129 509 HB3 GLN 71 2HB GLN 71 -11.840 -3.392 -5.724 510 HG2 GLN 71 1HG GLN 71 -10.145 -5.009 -5.787 511 HG3 GLN 71 2HG GLN 71 -11.064 -6.130 -4.784 512 HE21 GLN 71 1HE2 GLN 71 -10.021 -5.629 -7.808 513 HE22 GLN 71 2HE2 GLN 71 -11.242 -6.462 -8.702 514 H HIS 72 H HIS 72 -9.448 -3.971 -2.459 515 HA HIS 72 HA HIS 72 -8.490 -1.398 -3.524 516 HB2 HIS 72 1HB HIS 72 -8.094 -2.478 -0.726 517 HB3 HIS 72 2HB HIS 72 -7.315 -1.034 -1.367 518 HD2 HIS 72 2HD HIS 72 -11.017 -2.205 -0.611 519 HE1 HIS 72 1HE HIS 72 -10.766 2.019 -0.313 520 HE2 HIS 72 2HE HIS 72 -12.218 -0.009 0.039 521 H ARG 73 H ARG 73 -6.377 -1.307 -4.178 522 HA ARG 73 HA ARG 73 -4.610 -3.560 -3.667 523 HB2 ARG 73 1HB ARG 73 -6.089 -3.828 -5.848 524 HB3 ARG 73 2HB ARG 73 -4.882 -2.742 -6.523 525 HG2 ARG 73 1HG ARG 73 -3.117 -4.314 -5.893 526 HG3 ARG 73 2HG ARG 73 -4.335 -5.404 -5.227 527 HD2 ARG 73 1HD ARG 73 -5.386 -5.489 -7.488 528 HD3 ARG 73 2HD ARG 73 -4.022 -4.555 -8.102 529 HE ARG 73 HE ARG 73 -2.779 -6.621 -6.957 530 HH11 ARG 73 2HH1 ARG 73 -5.520 -6.496 -9.099 531 HH12 ARG 73 1HH1 ARG 73 -5.193 -8.037 -9.819 532 HH21 ARG 73 2HH2 ARG 73 -2.337 -8.651 -7.897 533 HH22 ARG 73 1HH2 ARG 73 -3.382 -9.263 -9.134 534 H LEU 74 H LEU 74 -2.485 -3.003 -3.658 535 HA LEU 74 HA LEU 74 -1.747 -0.347 -4.669 536 HB2 LEU 74 1HB LEU 74 -1.995 0.097 -2.390 537 HB3 LEU 74 2HB LEU 74 -1.318 -1.461 -1.921 538 HG LEU 74 HG LEU 74 0.859 -0.437 -3.030 539 HD11 LEU 74 1HD1 LEU 74 -0.478 1.637 -3.655 540 HD12 LEU 74 2HD1 LEU 74 1.070 1.890 -2.850 541 HD13 LEU 74 3HD1 LEU 74 -0.432 2.044 -1.939 542 HD21 LEU 74 1HD2 LEU 74 1.660 -0.200 -0.908 543 HD22 LEU 74 2HD2 LEU 74 0.177 -1.090 -0.560 544 HD23 LEU 74 3HD2 LEU 74 0.227 0.660 -0.342 545 H ILE 75 H ILE 75 -0.439 -0.906 -6.308 546 HA ILE 75 HA ILE 75 1.533 -3.032 -5.913 547 HB ILE 75 HB ILE 75 0.909 -1.515 -8.448 548 HG12 ILE 75 1HG1 ILE 75 -0.133 -3.924 -8.924 549 HG13 ILE 75 2HG1 ILE 75 -0.347 -3.900 -7.177 550 HG21 ILE 75 1HG2 ILE 75 2.257 -3.015 -9.576 551 HG22 ILE 75 2HG2 ILE 75 3.145 -2.783 -8.071 552 HG23 ILE 75 3HG2 ILE 75 2.158 -4.226 -8.298 553 HD11 ILE 75 1HD1 ILE 75 -1.834 -2.135 -7.257 554 HD12 ILE 75 2HD1 ILE 75 -1.275 -1.604 -8.843 555 HD13 ILE 75 3HD1 ILE 75 -2.251 -3.065 -8.696 556 H LEU 76 H LEU 76 3.675 -2.676 -5.772 557 HA LEU 76 HA LEU 76 4.625 0.091 -6.124 558 HB2 LEU 76 1HB LEU 76 5.669 -1.916 -4.136 559 HB3 LEU 76 2HB LEU 76 6.163 -0.233 -4.300 560 HG LEU 76 HG LEU 76 3.327 -0.902 -3.620 561 HD11 LEU 76 1HD1 LEU 76 3.739 -1.370 -1.449 562 HD12 LEU 76 2HD1 LEU 76 5.190 -0.370 -1.392 563 HD13 LEU 76 3HD1 LEU 76 5.257 -1.981 -2.107 564 HD21 LEU 76 1HD2 LEU 76 4.895 1.373 -2.519 565 HD22 LEU 76 2HD2 LEU 76 3.185 1.276 -2.941 566 HD23 LEU 76 3HD2 LEU 76 4.400 1.433 -4.211 567 H HIS 77 H HIS 77 5.530 -0.083 -8.121 568 HA HIS 77 HA HIS 77 7.193 -2.329 -8.834 569 HB2 HIS 77 1HB HIS 77 7.163 0.178 -10.450 570 HB3 HIS 77 2HB HIS 77 7.165 -1.500 -10.984 571 HD1 HIS 77 1HD HIS 77 4.926 -2.582 -11.443 572 HD2 HIS 77 2HD HIS 77 4.588 1.173 -9.698 573 HE1 HIS 77 1HE HIS 77 2.486 -1.991 -11.587 574 HE2 HIS 77 2HE HIS 77 2.319 0.321 -10.602 575 H ALA 78 H ALA 78 9.326 -2.494 -8.590 576 HA ALA 78 HA ALA 78 11.526 -1.934 -8.303 577 HB1 ALA 78 1HB ALA 78 12.183 -0.109 -9.384 578 HB2 ALA 78 2HB ALA 78 10.483 0.308 -9.599 579 HB3 ALA 78 3HB ALA 78 11.377 0.940 -8.217 580 H VAL 79 H VAL 79 10.200 -2.619 -6.115 581 HA VAL 79 HA VAL 79 10.079 -0.714 -4.037 582 HB VAL 79 HB VAL 79 9.791 -2.528 -2.532 583 HG11 VAL 79 1HG1 VAL 79 8.379 -4.133 -4.207 584 HG12 VAL 79 2HG1 VAL 79 7.792 -2.601 -3.556 585 HG13 VAL 79 3HG1 VAL 79 8.508 -2.660 -5.167 586 HG21 VAL 79 1HG2 VAL 79 10.178 -4.903 -3.843 587 HG22 VAL 79 2HG2 VAL 79 11.531 -3.926 -4.416 588 HG23 VAL 79 3HG2 VAL 79 11.297 -4.180 -2.687 589 H LYS 80 H LYS 80 11.434 -0.707 -2.082 590 HA LYS 80 HA LYS 80 14.274 -1.052 -2.779 591 HB2 LYS 80 1HB LYS 80 13.128 0.783 -0.671 592 HB3 LYS 80 2HB LYS 80 14.783 0.748 -1.266 593 HG2 LYS 80 1HG LYS 80 12.366 1.509 -2.892 594 HG3 LYS 80 2HG LYS 80 13.509 2.637 -2.160 595 HD2 LYS 80 1HD LYS 80 14.352 0.500 -4.104 596 HD3 LYS 80 2HD LYS 80 13.854 2.113 -4.619 597 HE2 LYS 80 1HE LYS 80 15.931 1.855 -2.498 598 HE3 LYS 80 2HE LYS 80 16.385 1.542 -4.173 599 HZ1 LYS 80 1HZ LYS 80 16.786 3.784 -3.948 600 HZ2 LYS 80 2HZ LYS 80 15.451 4.049 -2.945 601 HZ3 LYS 80 3HZ LYS 80 15.225 3.791 -4.601 602 H HIS 81 H HIS 81 15.712 -1.874 -1.216 603 HA HIS 81 HA HIS 81 14.567 -3.888 0.474 604 HB2 HIS 81 1HB HIS 81 16.605 -4.460 -0.615 605 HB3 HIS 81 2HB HIS 81 17.402 -2.995 -0.047 606 HD1 HIS 81 1HD HIS 81 15.695 -5.945 1.670 607 HD2 HIS 81 2HD HIS 81 19.113 -3.599 1.940 608 HE1 HIS 81 1HE HIS 81 16.987 -6.861 3.623 609 HE2 HIS 81 2HE HIS 81 19.009 -5.372 3.820 610 H GLN 82 H GLN 82 16.354 -0.872 1.010 611 HA GLN 82 HA GLN 82 16.741 -0.886 3.700 612 HB2 GLN 82 1HB GLN 82 16.246 1.631 3.586 613 HB3 GLN 82 2HB GLN 82 17.524 1.002 2.554 614 HG2 GLN 82 1HG GLN 82 16.466 2.254 1.012 615 HG3 GLN 82 2HG GLN 82 15.485 0.798 0.852 616 HE21 GLN 82 1HE2 GLN 82 14.334 2.989 -0.009 617 HE22 GLN 82 2HE2 GLN 82 13.140 3.577 1.093 618 H ASP 83 H ASP 83 13.707 -0.665 2.029 619 HA ASP 83 HA ASP 83 12.269 0.012 4.478 620 HB2 ASP 83 1HB ASP 83 11.797 0.891 2.031 621 HB3 ASP 83 2HB ASP 83 10.878 -0.607 1.906 622 H SER 84 H SER 84 13.663 -2.557 4.153 623 HA SER 84 HA SER 84 11.989 -4.685 3.555 624 HB2 SER 84 1HB SER 84 14.456 -4.795 4.094 625 HB3 SER 84 2HB SER 84 14.017 -4.684 5.798 626 HG SER 84 HG SER 84 13.196 -6.664 5.737 627 H GLY 85 H GLY 85 10.938 -6.213 5.049 628 HA2 GLY 85 1HA GLY 85 9.114 -6.514 6.444 629 HA3 GLY 85 2HA GLY 85 10.262 -5.940 7.645 630 H ALA 86 H ALA 86 8.708 -4.179 4.985 631 HA ALA 86 HA ALA 86 8.119 -1.944 6.632 632 HB1 ALA 86 1HB ALA 86 6.564 -1.479 4.513 633 HB2 ALA 86 2HB ALA 86 8.311 -1.238 4.487 634 HB3 ALA 86 3HB ALA 86 7.615 -2.714 3.820 635 H LEU 87 H LEU 87 5.817 -1.026 6.677 636 HA LEU 87 HA LEU 87 3.951 -3.178 7.432 637 HB2 LEU 87 1HB LEU 87 4.988 -1.481 9.175 638 HB3 LEU 87 2HB LEU 87 3.694 -0.444 8.575 639 HG LEU 87 HG LEU 87 2.864 -1.468 10.528 640 HD11 LEU 87 1HD1 LEU 87 1.780 -3.213 8.335 641 HD12 LEU 87 2HD1 LEU 87 1.401 -1.495 8.459 642 HD13 LEU 87 3HD1 LEU 87 0.945 -2.594 9.760 643 HD21 LEU 87 1HD2 LEU 87 4.376 -3.788 9.551 644 HD22 LEU 87 2HD2 LEU 87 2.823 -4.171 10.295 645 HD23 LEU 87 3HD2 LEU 87 4.035 -3.263 11.200 646 H VAL 88 H VAL 88 2.628 -3.348 5.711 647 HA VAL 88 HA VAL 88 1.422 -0.877 4.652 648 HB VAL 88 HB VAL 88 1.519 -3.567 3.286 649 HG11 VAL 88 1HG1 VAL 88 1.225 -1.693 1.347 650 HG12 VAL 88 2HG1 VAL 88 -0.109 -2.572 2.097 651 HG13 VAL 88 3HG1 VAL 88 0.319 -0.959 2.670 652 HG21 VAL 88 1HG2 VAL 88 3.242 -2.454 1.823 653 HG22 VAL 88 2HG2 VAL 88 3.350 -1.189 3.048 654 HG23 VAL 88 3HG2 VAL 88 3.776 -2.850 3.457 655 H GLY 89 H GLY 89 -0.466 -0.533 5.651 656 HA2 GLY 89 1HA GLY 89 -2.405 -2.749 5.680 657 HA3 GLY 89 2HA GLY 89 -2.133 -1.814 7.143 658 H PHE 90 H PHE 90 -4.536 -2.190 5.399 659 HA PHE 90 HA PHE 90 -4.982 0.556 4.483 660 HB2 PHE 90 1HB PHE 90 -5.595 -1.064 2.840 661 HB3 PHE 90 2HB PHE 90 -6.490 -2.016 4.020 662 HD1 PHE 90 2HD PHE 90 -6.459 1.457 2.652 663 HD2 PHE 90 1HD PHE 90 -8.774 -1.861 3.976 664 HE1 PHE 90 2HE PHE 90 -8.520 2.659 2.052 665 HE2 PHE 90 1HE PHE 90 -10.838 -0.664 3.376 666 HZ PHE 90 HZ PHE 90 -10.713 1.599 2.414 667 H SER 91 H SER 91 -5.752 1.900 5.968 668 HA SER 91 HA SER 91 -7.451 0.875 8.114 669 HB2 SER 91 1HB SER 91 -7.126 3.166 9.092 670 HB3 SER 91 2HB SER 91 -5.629 2.264 8.860 671 HG SER 91 HG SER 91 -6.406 4.620 7.769 672 H CYS 92 H CYS 92 -9.580 1.194 8.184 673 HA CYS 92 HA CYS 92 -10.788 3.410 6.734 674 HB2 CYS 92 1HB CYS 92 -12.044 2.189 5.256 675 HB3 CYS 92 2HB CYS 92 -10.630 1.147 5.350 676 HG CYS 92 HG CYS 92 -13.448 0.654 7.226 677 HA PRO 93 HA PRO 93 -13.556 3.510 10.135 678 HB2 PRO 93 1HB PRO 93 -15.833 4.414 8.965 679 HB3 PRO 93 2HB PRO 93 -14.419 5.440 9.234 680 HG2 PRO 93 1HG PRO 93 -15.296 4.038 6.738 681 HG3 PRO 93 2HG PRO 93 -14.666 5.684 6.935 682 HD2 PRO 93 1HD PRO 93 -13.132 3.631 6.060 683 HD3 PRO 93 2HD PRO 93 -12.476 4.970 7.025 684 H GLY 94 H GLY 94 -13.484 1.092 10.232 685 HA2 GLY 94 1HA GLY 94 -15.696 -0.174 10.877 686 HA3 GLY 94 2HA GLY 94 -15.851 -0.230 9.127 687 H VAL 95 H VAL 95 -12.761 -0.373 9.127 688 HA VAL 95 HA VAL 95 -12.412 -3.126 10.050 689 HB VAL 95 HB VAL 95 -11.967 -2.223 7.205 690 HG11 VAL 95 1HG1 VAL 95 -11.165 -4.848 8.454 691 HG12 VAL 95 2HG1 VAL 95 -10.948 -4.368 6.770 692 HG13 VAL 95 3HG1 VAL 95 -10.052 -3.542 8.046 693 HG21 VAL 95 1HG2 VAL 95 -14.055 -3.666 8.560 694 HG22 VAL 95 2HG2 VAL 95 -13.986 -3.102 6.891 695 HG23 VAL 95 3HG2 VAL 95 -13.311 -4.674 7.318 696 H GLN 96 H GLN 96 -10.254 -3.735 10.400 697 HA GLN 96 HA GLN 96 -8.180 -1.731 9.958 698 HB2 GLN 96 1HB GLN 96 -8.913 -1.117 12.142 699 HB3 GLN 96 2HB GLN 96 -8.981 -2.795 12.664 700 HG2 GLN 96 1HG GLN 96 -6.427 -2.760 12.135 701 HG3 GLN 96 2HG GLN 96 -6.620 -1.016 12.303 702 HE21 GLN 96 1HE2 GLN 96 -6.331 -0.235 14.256 703 HE22 GLN 96 2HE2 GLN 96 -6.497 -1.105 15.739 704 H ASP 97 H ASP 97 -6.808 -2.890 8.761 705 HA ASP 97 HA ASP 97 -5.708 -5.337 9.919 706 HB2 ASP 97 1HB ASP 97 -5.736 -6.226 7.437 707 HB3 ASP 97 2HB ASP 97 -7.136 -6.442 8.484 708 H SER 98 H SER 98 -3.656 -5.973 8.934 709 HA SER 98 HA SER 98 -2.320 -4.074 7.216 710 HB2 SER 98 1HB SER 98 -0.547 -3.497 8.781 711 HB3 SER 98 2HB SER 98 -2.106 -3.030 9.462 712 HG SER 98 HG SER 98 -1.014 -5.551 10.055 713 H ALA 99 H ALA 99 -0.427 -4.884 6.301 714 HA ALA 99 HA ALA 99 0.167 -7.702 6.936 715 HB1 ALA 99 1HB ALA 99 0.743 -6.764 4.202 716 HB2 ALA 99 2HB ALA 99 0.093 -8.304 4.764 717 HB3 ALA 99 3HB ALA 99 -0.963 -6.898 4.630 718 H ALA 100 H ALA 100 2.349 -8.399 6.575 719 HA ALA 100 HA ALA 100 4.276 -6.246 7.042 720 HB1 ALA 100 1HB ALA 100 5.041 -9.115 7.226 721 HB2 ALA 100 2HB ALA 100 5.568 -7.738 8.195 722 HB3 ALA 100 3HB ALA 100 3.974 -8.446 8.462 723 H LEU 101 H LEU 101 5.502 -5.542 5.432 724 HA LEU 101 HA LEU 101 5.776 -7.175 3.021 725 HB2 LEU 101 1HB LEU 101 4.996 -4.940 2.647 726 HB3 LEU 101 2HB LEU 101 6.333 -4.268 3.578 727 HG LEU 101 HG LEU 101 7.890 -5.093 1.817 728 HD11 LEU 101 1HD1 LEU 101 7.229 -6.397 0.145 729 HD12 LEU 101 2HD1 LEU 101 5.874 -5.336 -0.240 730 HD13 LEU 101 3HD1 LEU 101 5.696 -6.580 0.997 731 HD21 LEU 101 1HD2 LEU 101 6.573 -3.471 0.029 732 HD22 LEU 101 2HD2 LEU 101 7.664 -2.932 1.307 733 HD23 LEU 101 3HD2 LEU 101 5.922 -2.959 1.586 734 H THR 102 H THR 102 7.429 -8.566 3.211 735 HA THR 102 HA THR 102 9.924 -7.705 4.458 736 HB THR 102 HB THR 102 9.058 -10.419 3.443 737 HG1 THR 102 1HG THR 102 9.138 -10.838 5.774 738 HG21 THR 102 1HG2 THR 102 11.138 -11.195 3.726 739 HG22 THR 102 2HG2 THR 102 11.332 -10.339 5.255 740 HG23 THR 102 3HG2 THR 102 11.654 -9.509 3.733 741 H ILE 103 H ILE 103 11.770 -7.309 3.377 742 HA ILE 103 HA ILE 103 11.874 -7.946 0.508 743 HB ILE 103 HB ILE 103 12.725 -5.317 1.729 744 HG12 ILE 103 1HG1 ILE 103 10.529 -5.836 -0.280 745 HG13 ILE 103 2HG1 ILE 103 10.241 -5.696 1.451 746 HG21 ILE 103 1HG2 ILE 103 12.881 -6.366 -1.090 747 HG22 ILE 103 2HG2 ILE 103 13.097 -4.671 -0.657 748 HG23 ILE 103 3HG2 ILE 103 14.218 -5.887 -0.045 749 HD11 ILE 103 1HD1 ILE 103 9.781 -3.573 0.741 750 HD12 ILE 103 2HD1 ILE 103 11.486 -3.418 1.167 751 HD13 ILE 103 3HD1 ILE 103 11.012 -3.609 -0.521 752 H GLN 104 H GLN 104 13.554 -9.223 0.151 753 HA GLN 104 HA GLN 104 15.867 -9.089 1.943 754 HB2 GLN 104 1HB GLN 104 15.012 -11.179 -0.064 755 HB3 GLN 104 2HB GLN 104 16.497 -11.261 0.874 756 HG2 GLN 104 1HG GLN 104 13.748 -11.121 2.086 757 HG3 GLN 104 2HG GLN 104 14.619 -12.621 1.773 758 HE21 GLN 104 1HE2 GLN 104 13.727 -10.940 4.222 759 HE22 GLN 104 2HE2 GLN 104 15.117 -10.993 5.247 760 H GLU 105 H GLU 105 18.029 -9.218 1.035 761 HA GLU 105 HA GLU 105 18.346 -7.385 -1.153 762 HB2 GLU 105 1HB GLU 105 20.163 -8.752 0.776 763 HB3 GLU 105 2HB GLU 105 20.857 -8.132 -0.715 764 HG2 GLU 105 1HG GLU 105 19.151 -6.395 1.022 765 HG3 GLU 105 2HG GLU 105 20.862 -6.637 1.373 766 H SER 106 H SER 106 20.015 -7.909 -2.888 767 HA SER 106 HA SER 106 19.633 -10.665 -3.858 768 HB2 SER 106 1HB SER 106 19.390 -9.826 -6.126 769 HB3 SER 106 2HB SER 106 18.197 -9.046 -5.088 770 HG SER 106 HG SER 106 20.056 -7.904 -6.599 771 H SER 107 H SER 107 21.249 -11.285 -5.545 772 HA SER 107 HA SER 107 23.797 -11.321 -4.658 773 HB2 SER 107 1HB SER 107 22.699 -12.436 -6.762 774 HB3 SER 107 2HB SER 107 23.388 -11.057 -7.619 775 HG SER 107 HG SER 107 25.355 -11.837 -6.221 776 H GLY 108 H GLY 108 25.660 -10.115 -4.832 777 HA2 GLY 108 1HA GLY 108 25.884 -7.780 -6.442 778 HA3 GLY 108 2HA GLY 108 25.491 -7.352 -4.784 779 HA PRO 109 HA PRO 109 30.059 -7.448 -4.931 780 HB2 PRO 109 1HB PRO 109 30.366 -5.486 -3.080 781 HB3 PRO 109 2HB PRO 109 30.088 -5.155 -4.794 782 HG2 PRO 109 1HG PRO 109 28.139 -5.135 -2.522 783 HG3 PRO 109 2HG PRO 109 28.307 -3.986 -3.862 784 HD2 PRO 109 1HD PRO 109 26.417 -5.925 -3.832 785 HD3 PRO 109 2HD PRO 109 27.164 -5.344 -5.334 786 H SER 110 H SER 110 27.769 -8.534 -2.867 787 HA SER 110 HA SER 110 28.513 -8.738 -0.341 788 HB2 SER 110 1HB SER 110 27.837 -11.071 -2.141 789 HB3 SER 110 2HB SER 110 27.917 -11.191 -0.384 790 HG SER 110 HG SER 110 25.809 -10.771 -0.910 791 H SER 111 H SER 111 30.076 -10.728 -2.851 792 HA SER 111 HA SER 111 32.399 -10.993 -1.055 793 HB2 SER 111 1HB SER 111 31.376 -12.915 -3.158 794 HB3 SER 111 2HB SER 111 32.894 -13.111 -2.282 795 HG SER 111 HG SER 111 30.565 -12.718 -0.794 796 H GLY 112 H GLY 112 34.412 -10.539 -1.834 797 HA2 GLY 112 1HA GLY 112 34.838 -10.101 -4.669 798 HA3 GLY 112 2HA GLY 112 34.903 -8.649 -3.681 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -14.834 18.377 11.377 2 HA2 GLY 1 1HA GLY 1 -15.435 16.585 13.363 3 HA3 GLY 1 2HA GLY 1 -16.580 17.769 12.749 4 H SER 2 H SER 2 -18.067 15.977 13.445 5 HA SER 2 HA SER 2 -18.236 13.816 11.471 6 HB2 SER 2 1HB SER 2 -19.392 14.211 14.218 7 HB3 SER 2 2HB SER 2 -20.089 13.025 13.115 8 HG SER 2 HG SER 2 -17.710 12.968 14.496 9 H SER 3 H SER 3 -19.228 14.605 9.693 10 HA SER 3 HA SER 3 -21.992 15.508 10.016 11 HB2 SER 3 1HB SER 3 -20.530 17.532 9.800 12 HB3 SER 3 2HB SER 3 -20.028 16.943 8.216 13 HG SER 3 HG SER 3 -22.764 17.158 8.742 14 H GLY 4 H GLY 4 -23.362 14.771 8.467 15 HA2 GLY 4 1HA GLY 4 -23.648 14.159 6.083 16 HA3 GLY 4 2HA GLY 4 -22.139 13.270 6.233 17 H SER 5 H SER 5 -23.267 11.400 5.473 18 HA SER 5 HA SER 5 -25.193 10.253 7.370 19 HB2 SER 5 1HB SER 5 -25.941 8.830 5.610 20 HB3 SER 5 2HB SER 5 -25.757 10.432 4.897 21 HG SER 5 HG SER 5 -23.946 8.256 4.709 22 H SER 6 H SER 6 -25.027 7.717 7.353 23 HA SER 6 HA SER 6 -22.698 7.031 8.739 24 HB2 SER 6 1HB SER 6 -24.640 5.164 7.357 25 HB3 SER 6 2HB SER 6 -23.512 4.725 8.639 26 HG SER 6 HG SER 6 -25.969 5.704 8.875 27 H GLY 7 H GLY 7 -21.115 5.352 8.166 28 HA2 GLY 7 1HA GLY 7 -20.661 4.666 5.431 29 HA3 GLY 7 2HA GLY 7 -19.609 5.977 5.944 30 H THR 8 H THR 8 -20.473 2.617 6.473 31 HA THR 8 HA THR 8 -17.752 2.075 7.336 32 HB THR 8 HB THR 8 -18.446 0.797 9.319 33 HG1 THR 8 1HG THR 8 -20.762 1.580 9.972 34 HG21 THR 8 1HG2 THR 8 -19.637 3.510 9.708 35 HG22 THR 8 2HG2 THR 8 -17.933 3.367 9.277 36 HG23 THR 8 3HG2 THR 8 -18.537 2.607 10.749 37 H ALA 9 H ALA 9 -17.348 -0.295 7.520 38 HA ALA 9 HA ALA 9 -19.251 -2.071 6.276 39 HB1 ALA 9 1HB ALA 9 -16.634 -1.767 4.845 40 HB2 ALA 9 2HB ALA 9 -18.116 -2.552 4.297 41 HB3 ALA 9 3HB ALA 9 -18.039 -0.794 4.408 42 H ARG 10 H ARG 10 -17.888 -4.236 5.719 43 HA ARG 10 HA ARG 10 -16.284 -4.784 8.131 44 HB2 ARG 10 1HB ARG 10 -18.382 -6.388 6.723 45 HB3 ARG 10 2HB ARG 10 -17.103 -7.223 7.594 46 HG2 ARG 10 1HG ARG 10 -17.787 -5.613 9.539 47 HG3 ARG 10 2HG ARG 10 -19.299 -5.506 8.636 48 HD2 ARG 10 1HD ARG 10 -19.635 -7.866 8.780 49 HD3 ARG 10 2HD ARG 10 -18.019 -8.110 9.440 50 HE ARG 10 HE ARG 10 -19.727 -6.413 11.032 51 HH11 ARG 10 2HH1 ARG 10 -18.649 -9.663 10.401 52 HH12 ARG 10 1HH1 ARG 10 -19.070 -10.248 11.976 53 HH21 ARG 10 2HH2 ARG 10 -20.285 -7.171 13.109 54 HH22 ARG 10 1HH2 ARG 10 -20.002 -8.830 13.516 55 H LEU 11 H LEU 11 -14.883 -6.817 7.816 56 HA LEU 11 HA LEU 11 -13.470 -6.522 5.255 57 HB2 LEU 11 1HB LEU 11 -12.174 -5.990 7.259 58 HB3 LEU 11 2HB LEU 11 -12.495 -7.602 7.897 59 HG LEU 11 HG LEU 11 -11.193 -8.577 6.057 60 HD11 LEU 11 1HD1 LEU 11 -10.683 -5.702 5.308 61 HD12 LEU 11 2HD1 LEU 11 -11.546 -6.907 4.352 62 HD13 LEU 11 3HD1 LEU 11 -9.817 -7.090 4.649 63 HD21 LEU 11 1HD2 LEU 11 -10.040 -8.163 8.112 64 HD22 LEU 11 2HD2 LEU 11 -9.809 -6.464 7.702 65 HD23 LEU 11 3HD2 LEU 11 -8.970 -7.715 6.784 66 H VAL 12 H VAL 12 -13.084 -8.247 3.953 67 HA VAL 12 HA VAL 12 -14.187 -10.841 4.822 68 HB VAL 12 HB VAL 12 -14.334 -11.116 2.178 69 HG11 VAL 12 1HG1 VAL 12 -16.321 -11.520 3.185 70 HG12 VAL 12 2HG1 VAL 12 -16.219 -10.086 4.208 71 HG13 VAL 12 3HG1 VAL 12 -16.712 -9.934 2.521 72 HG21 VAL 12 1HG2 VAL 12 -13.396 -8.851 1.787 73 HG22 VAL 12 2HG2 VAL 12 -14.989 -9.084 1.066 74 HG23 VAL 12 3HG2 VAL 12 -14.824 -8.165 2.563 75 H ALA 13 H ALA 13 -11.691 -9.208 2.936 76 HA ALA 13 HA ALA 13 -10.008 -11.598 3.228 77 HB1 ALA 13 1HB ALA 13 -9.736 -10.027 0.724 78 HB2 ALA 13 2HB ALA 13 -9.462 -11.744 1.022 79 HB3 ALA 13 3HB ALA 13 -11.107 -11.128 0.864 80 H GLY 14 H GLY 14 -8.938 -10.543 4.943 81 HA2 GLY 14 1HA GLY 14 -7.915 -7.971 4.971 82 HA3 GLY 14 2HA GLY 14 -7.200 -9.329 5.828 83 H LEU 15 H LEU 15 -5.425 -7.573 5.097 84 HA LEU 15 HA LEU 15 -4.439 -7.786 2.448 85 HB2 LEU 15 1HB LEU 15 -3.293 -6.808 5.036 86 HB3 LEU 15 2HB LEU 15 -2.288 -6.925 3.593 87 HG LEU 15 HG LEU 15 -3.071 -4.658 3.879 88 HD11 LEU 15 1HD1 LEU 15 -2.848 -5.593 1.597 89 HD12 LEU 15 2HD1 LEU 15 -4.033 -4.292 1.708 90 HD13 LEU 15 3HD1 LEU 15 -4.571 -5.969 1.617 91 HD21 LEU 15 1HD2 LEU 15 -5.346 -4.038 3.998 92 HD22 LEU 15 2HD2 LEU 15 -5.143 -5.353 5.156 93 HD23 LEU 15 3HD2 LEU 15 -5.891 -5.665 3.588 94 H GLU 16 H GLU 16 -2.358 -8.727 1.828 95 HA GLU 16 HA GLU 16 -1.815 -11.229 3.288 96 HB2 GLU 16 1HB GLU 16 -1.598 -10.723 0.315 97 HB3 GLU 16 2HB GLU 16 -1.197 -12.230 1.127 98 HG2 GLU 16 1HG GLU 16 -3.293 -12.714 0.388 99 HG3 GLU 16 2HG GLU 16 -3.671 -12.058 1.980 100 H ASP 17 H ASP 17 0.321 -11.901 3.500 101 HA ASP 17 HA ASP 17 2.257 -9.781 3.553 102 HB2 ASP 17 1HB ASP 17 3.788 -11.699 4.316 103 HB3 ASP 17 2HB ASP 17 2.430 -11.279 5.357 104 H VAL 18 H VAL 18 3.935 -9.412 2.204 105 HA VAL 18 HA VAL 18 4.479 -11.350 0.069 106 HB VAL 18 HB VAL 18 4.075 -8.393 -0.405 107 HG11 VAL 18 1HG1 VAL 18 5.841 -9.407 -1.794 108 HG12 VAL 18 2HG1 VAL 18 4.676 -10.600 -2.371 109 HG13 VAL 18 3HG1 VAL 18 4.447 -8.891 -2.743 110 HG21 VAL 18 1HG2 VAL 18 2.233 -9.359 -1.940 111 HG22 VAL 18 2HG2 VAL 18 2.361 -10.794 -0.923 112 HG23 VAL 18 3HG2 VAL 18 1.921 -9.244 -0.208 113 H GLN 19 H GLN 19 6.574 -11.247 -0.812 114 HA GLN 19 HA GLN 19 8.463 -9.402 0.449 115 HB2 GLN 19 1HB GLN 19 9.903 -11.055 1.245 116 HB3 GLN 19 2HB GLN 19 8.312 -11.678 1.660 117 HG2 GLN 19 1HG GLN 19 8.489 -12.912 -0.616 118 HG3 GLN 19 2HG GLN 19 10.216 -12.603 -0.440 119 HE21 GLN 19 1HE2 GLN 19 10.929 -14.622 -0.057 120 HE22 GLN 19 2HE2 GLN 19 10.460 -15.584 1.299 121 H VAL 20 H VAL 20 9.806 -8.548 -0.995 122 HA VAL 20 HA VAL 20 10.532 -10.083 -3.381 123 HB VAL 20 HB VAL 20 10.141 -8.170 -4.854 124 HG11 VAL 20 1HG1 VAL 20 7.537 -8.555 -3.452 125 HG12 VAL 20 2HG1 VAL 20 7.899 -8.569 -5.179 126 HG13 VAL 20 3HG1 VAL 20 8.343 -9.948 -4.172 127 HG21 VAL 20 1HG2 VAL 20 9.092 -6.881 -2.346 128 HG22 VAL 20 2HG2 VAL 20 10.375 -6.307 -3.411 129 HG23 VAL 20 3HG2 VAL 20 8.700 -6.293 -3.962 130 H TYR 21 H TYR 21 12.451 -9.349 -4.428 131 HA TYR 21 HA TYR 21 14.385 -8.291 -2.590 132 HB2 TYR 21 1HB TYR 21 14.490 -9.311 -5.412 133 HB3 TYR 21 2HB TYR 21 15.874 -8.475 -4.717 134 HD1 TYR 21 1HD TYR 21 13.477 -10.962 -3.288 135 HD2 TYR 21 2HD TYR 21 17.517 -10.031 -4.247 136 HE1 TYR 21 1HE TYR 21 14.205 -13.060 -2.231 137 HE2 TYR 21 2HE TYR 21 18.256 -12.127 -3.194 138 HH TYR 21 HH TYR 21 16.035 -14.168 -1.408 139 H ASP 22 H ASP 22 15.825 -6.494 -3.110 140 HA ASP 22 HA ASP 22 14.549 -4.092 -3.464 141 HB2 ASP 22 1HB ASP 22 16.650 -3.781 -2.605 142 HB3 ASP 22 2HB ASP 22 17.380 -4.980 -3.671 143 H GLY 23 H GLY 23 14.173 -2.684 -5.154 144 HA2 GLY 23 1HA GLY 23 14.068 -1.947 -7.356 145 HA3 GLY 23 2HA GLY 23 15.023 -3.341 -7.839 146 H GLU 24 H GLU 24 13.141 -5.170 -6.420 147 HA GLU 24 HA GLU 24 11.483 -5.787 -8.612 148 HB2 GLU 24 1HB GLU 24 11.251 -6.702 -5.739 149 HB3 GLU 24 2HB GLU 24 10.451 -7.447 -7.116 150 HG2 GLU 24 1HG GLU 24 13.428 -7.268 -6.712 151 HG3 GLU 24 2HG GLU 24 12.433 -8.691 -6.412 152 H ASP 25 H ASP 25 9.003 -6.305 -7.918 153 HA ASP 25 HA ASP 25 7.891 -3.747 -6.966 154 HB2 ASP 25 1HB ASP 25 6.431 -5.464 -8.943 155 HB3 ASP 25 2HB ASP 25 6.290 -3.732 -8.654 156 H ALA 26 H ALA 26 6.336 -3.831 -5.447 157 HA ALA 26 HA ALA 26 5.584 -6.486 -4.455 158 HB1 ALA 26 1HB ALA 26 5.348 -5.579 -2.354 159 HB2 ALA 26 2HB ALA 26 6.641 -4.580 -3.019 160 HB3 ALA 26 3HB ALA 26 4.988 -3.967 -2.971 161 H VAL 27 H VAL 27 3.402 -6.933 -3.848 162 HA VAL 27 HA VAL 27 1.367 -5.176 -5.027 163 HB VAL 27 HB VAL 27 1.425 -8.168 -5.439 164 HG11 VAL 27 1HG1 VAL 27 -0.333 -6.702 -7.172 165 HG12 VAL 27 2HG1 VAL 27 -0.705 -8.016 -6.054 166 HG13 VAL 27 3HG1 VAL 27 -0.706 -6.346 -5.485 167 HG21 VAL 27 1HG2 VAL 27 1.991 -7.769 -7.714 168 HG22 VAL 27 2HG2 VAL 27 1.813 -6.025 -7.520 169 HG23 VAL 27 3HG2 VAL 27 3.146 -6.868 -6.732 170 H PHE 28 H PHE 28 -0.501 -5.033 -3.891 171 HA PHE 28 HA PHE 28 -1.054 -6.966 -1.778 172 HB2 PHE 28 1HB PHE 28 -0.678 -4.006 -1.304 173 HB3 PHE 28 2HB PHE 28 -1.469 -5.081 -0.156 174 HD1 PHE 28 1HD PHE 28 -0.186 -6.835 0.987 175 HD2 PHE 28 2HD PHE 28 1.689 -3.991 -1.566 176 HE1 PHE 28 1HE PHE 28 2.002 -7.415 1.953 177 HE2 PHE 28 2HE PHE 28 3.879 -4.567 -0.605 178 HZ PHE 28 HZ PHE 28 4.038 -6.281 1.157 179 H SER 29 H SER 29 -3.181 -7.338 -1.503 180 HA SER 29 HA SER 29 -5.124 -5.396 -2.502 181 HB2 SER 29 1HB SER 29 -5.014 -6.705 -4.436 182 HB3 SER 29 2HB SER 29 -4.760 -8.196 -3.530 183 HG SER 29 HG SER 29 -7.163 -6.687 -3.651 184 H LEU 30 H LEU 30 -7.322 -5.840 -1.780 185 HA LEU 30 HA LEU 30 -7.739 -7.832 0.259 186 HB2 LEU 30 1HB LEU 30 -8.184 -6.344 2.076 187 HB3 LEU 30 2HB LEU 30 -6.560 -6.025 1.471 188 HG LEU 30 HG LEU 30 -7.895 -4.157 0.098 189 HD11 LEU 30 1HD1 LEU 30 -9.419 -3.200 2.059 190 HD12 LEU 30 2HD1 LEU 30 -9.638 -4.923 2.366 191 HD13 LEU 30 3HD1 LEU 30 -10.052 -4.248 0.790 192 HD21 LEU 30 1HD2 LEU 30 -7.380 -3.340 2.872 193 HD22 LEU 30 2HD2 LEU 30 -6.711 -2.724 1.361 194 HD23 LEU 30 3HD2 LEU 30 -6.052 -4.192 2.085 195 H ASP 31 H ASP 31 -9.931 -8.073 0.838 196 HA ASP 31 HA ASP 31 -11.792 -6.659 -0.955 197 HB2 ASP 31 1HB ASP 31 -12.089 -9.408 0.277 198 HB3 ASP 31 2HB ASP 31 -13.229 -8.640 -0.825 199 H LEU 32 H LEU 32 -13.954 -6.260 -0.136 200 HA LEU 32 HA LEU 32 -14.116 -6.113 2.795 201 HB2 LEU 32 1HB LEU 32 -15.013 -3.919 0.937 202 HB3 LEU 32 2HB LEU 32 -15.022 -3.893 2.699 203 HG LEU 32 HG LEU 32 -12.534 -3.974 0.994 204 HD11 LEU 32 1HD1 LEU 32 -12.645 -1.771 0.788 205 HD12 LEU 32 2HD1 LEU 32 -12.881 -1.577 2.524 206 HD13 LEU 32 3HD1 LEU 32 -14.272 -1.823 1.468 207 HD21 LEU 32 1HD2 LEU 32 -13.066 -4.242 3.857 208 HD22 LEU 32 2HD2 LEU 32 -11.859 -3.017 3.462 209 HD23 LEU 32 3HD2 LEU 32 -11.638 -4.681 2.919 210 H SER 33 H SER 33 -16.515 -5.225 3.289 211 HA SER 33 HA SER 33 -18.255 -7.246 2.135 212 HB2 SER 33 1HB SER 33 -19.566 -7.030 4.020 213 HB3 SER 33 2HB SER 33 -18.013 -6.506 4.670 214 HG SER 33 HG SER 33 -18.916 -4.325 3.818 215 H THR 34 H THR 34 -17.861 -3.773 2.166 216 HA THR 34 HA THR 34 -19.684 -3.531 -0.070 217 HB THR 34 HB THR 34 -21.153 -3.300 1.942 218 HG1 THR 34 1HG THR 34 -21.386 -2.108 -0.173 219 HG21 THR 34 1HG2 THR 34 -19.985 -2.267 3.629 220 HG22 THR 34 2HG2 THR 34 -20.869 -0.888 2.975 221 HG23 THR 34 3HG2 THR 34 -19.181 -1.144 2.533 222 H ILE 35 H ILE 35 -19.867 -1.020 -0.589 223 HA ILE 35 HA ILE 35 -17.217 -0.165 -1.159 224 HB ILE 35 HB ILE 35 -19.855 1.271 -1.460 225 HG12 ILE 35 1HG1 ILE 35 -18.072 -0.014 -3.537 226 HG13 ILE 35 2HG1 ILE 35 -19.488 -0.788 -2.834 227 HG21 ILE 35 1HG2 ILE 35 -17.231 2.057 -2.704 228 HG22 ILE 35 2HG2 ILE 35 -18.754 2.944 -2.728 229 HG23 ILE 35 3HG2 ILE 35 -17.854 2.780 -1.221 230 HD11 ILE 35 1HD1 ILE 35 -19.734 1.871 -4.166 231 HD12 ILE 35 2HD1 ILE 35 -19.687 0.388 -5.119 232 HD13 ILE 35 3HD1 ILE 35 -20.956 0.624 -3.917 233 H ILE 36 H ILE 36 -16.030 1.532 -0.336 234 HA ILE 36 HA ILE 36 -16.973 3.390 1.565 235 HB ILE 36 HB ILE 36 -17.040 1.411 3.031 236 HG12 ILE 36 1HG1 ILE 36 -14.714 3.054 3.970 237 HG13 ILE 36 2HG1 ILE 36 -16.279 3.823 3.725 238 HG21 ILE 36 1HG2 ILE 36 -14.538 0.722 3.703 239 HG22 ILE 36 2HG2 ILE 36 -15.479 -0.128 2.478 240 HG23 ILE 36 3HG2 ILE 36 -14.294 1.085 1.994 241 HD11 ILE 36 1HD1 ILE 36 -16.773 1.499 5.211 242 HD12 ILE 36 2HD1 ILE 36 -15.355 2.264 5.929 243 HD13 ILE 36 3HD1 ILE 36 -16.855 3.174 5.753 244 H GLN 37 H GLN 37 -15.428 4.944 2.093 245 HA GLN 37 HA GLN 37 -13.008 4.824 0.458 246 HB2 GLN 37 1HB GLN 37 -14.538 6.785 0.282 247 HB3 GLN 37 2HB GLN 37 -14.174 7.174 1.958 248 HG2 GLN 37 1HG GLN 37 -11.860 7.557 1.416 249 HG3 GLN 37 2HG GLN 37 -12.131 7.037 -0.247 250 HE21 GLN 37 1HE2 GLN 37 -12.697 8.510 -1.705 251 HE22 GLN 37 2HE2 GLN 37 -13.148 10.141 -1.356 252 H GLY 38 H GLY 38 -11.191 4.157 1.379 253 HA2 GLY 38 1HA GLY 38 -10.752 4.820 4.226 254 HA3 GLY 38 2HA GLY 38 -10.269 3.282 3.527 255 H THR 39 H THR 39 -8.192 4.047 4.549 256 HA THR 39 HA THR 39 -6.620 5.430 2.497 257 HB THR 39 HB THR 39 -6.571 6.096 5.445 258 HG1 THR 39 1HG THR 39 -6.773 7.996 3.393 259 HG21 THR 39 1HG2 THR 39 -4.853 7.844 4.232 260 HG22 THR 39 2HG2 THR 39 -4.505 6.340 3.379 261 HG23 THR 39 3HG2 THR 39 -4.366 6.411 5.136 262 H TRP 40 H TRP 40 -4.493 4.755 2.317 263 HA TRP 40 HA TRP 40 -3.912 2.206 3.611 264 HB2 TRP 40 1HB TRP 40 -2.718 3.647 1.247 265 HB3 TRP 40 2HB TRP 40 -1.964 2.218 1.948 266 HD1 TRP 40 HD TRP 40 -5.127 3.295 0.048 267 HE1 TRP 40 1HE TRP 40 -6.176 1.207 -1.031 268 HE3 TRP 40 3HE TRP 40 -2.119 -0.285 2.114 269 HZ2 TRP 40 2HZ TRP 40 -5.781 -1.587 -1.009 270 HZ3 TRP 40 3HZ TRP 40 -2.521 -2.642 1.533 271 HH2 TRP 40 HH TRP 40 -4.316 -3.278 0.004 272 H PHE 41 H PHE 41 -1.721 1.778 4.413 273 HA PHE 41 HA PHE 41 -0.385 4.179 5.460 274 HB2 PHE 41 1HB PHE 41 -1.423 1.814 6.951 275 HB3 PHE 41 2HB PHE 41 0.081 2.545 7.500 276 HD1 PHE 41 2HD PHE 41 -3.218 3.807 6.283 277 HD2 PHE 41 1HD PHE 41 -0.189 3.963 9.270 278 HE1 PHE 41 2HE PHE 41 -4.499 5.527 7.488 279 HE2 PHE 41 1HE PHE 41 -1.467 5.683 10.480 280 HZ PHE 41 HZ PHE 41 -3.624 6.468 9.589 281 H LEU 42 H LEU 42 1.861 3.884 6.008 282 HA LEU 42 HA LEU 42 3.138 1.480 4.942 283 HB2 LEU 42 1HB LEU 42 3.092 3.046 3.086 284 HB3 LEU 42 2HB LEU 42 3.825 4.291 4.095 285 HG LEU 42 HG LEU 42 5.791 2.593 4.292 286 HD11 LEU 42 1HD1 LEU 42 4.075 1.111 2.678 287 HD12 LEU 42 2HD1 LEU 42 5.773 0.776 3.017 288 HD13 LEU 42 3HD1 LEU 42 5.327 1.707 1.587 289 HD21 LEU 42 1HD2 LEU 42 5.357 4.831 2.821 290 HD22 LEU 42 2HD2 LEU 42 5.738 3.661 1.557 291 HD23 LEU 42 3HD2 LEU 42 6.882 3.946 2.870 292 H ASN 43 H ASN 43 4.323 0.740 6.567 293 HA ASN 43 HA ASN 43 5.904 0.635 8.206 294 HB2 ASN 43 1HB ASN 43 6.569 3.539 7.851 295 HB3 ASN 43 2HB ASN 43 7.633 2.199 8.269 296 HD21 ASN 43 1HD2 ASN 43 6.787 0.418 6.246 297 HD22 ASN 43 2HD2 ASN 43 7.354 1.030 4.734 298 H GLY 44 H GLY 44 3.148 1.418 8.701 299 HA2 GLY 44 1HA GLY 44 2.084 1.706 10.778 300 HA3 GLY 44 2HA GLY 44 3.539 2.477 11.391 301 H GLU 45 H GLU 45 3.555 4.167 8.857 302 HA GLU 45 HA GLU 45 1.836 6.256 9.938 303 HB2 GLU 45 1HB GLU 45 3.206 7.776 8.912 304 HB3 GLU 45 2HB GLU 45 4.339 6.444 9.091 305 HG2 GLU 45 1HG GLU 45 3.515 5.764 6.727 306 HG3 GLU 45 2HG GLU 45 2.958 7.435 6.639 307 H GLU 46 H GLU 46 0.945 7.759 8.054 308 HA GLU 46 HA GLU 46 -0.747 6.009 6.416 309 HB2 GLU 46 1HB GLU 46 -2.020 7.446 7.853 310 HB3 GLU 46 2HB GLU 46 -1.099 8.857 7.351 311 HG2 GLU 46 1HG GLU 46 -2.596 7.330 5.288 312 HG3 GLU 46 2HG GLU 46 -3.493 8.368 6.393 313 H LEU 47 H LEU 47 -0.316 5.833 4.328 314 HA LEU 47 HA LEU 47 1.696 7.238 2.998 315 HB2 LEU 47 1HB LEU 47 -0.604 5.563 2.066 316 HB3 LEU 47 2HB LEU 47 0.451 6.368 0.905 317 HG LEU 47 HG LEU 47 1.575 4.543 3.004 318 HD11 LEU 47 1HD1 LEU 47 -0.316 3.677 1.217 319 HD12 LEU 47 2HD1 LEU 47 0.922 2.675 1.974 320 HD13 LEU 47 3HD1 LEU 47 1.198 3.355 0.370 321 HD21 LEU 47 1HD2 LEU 47 3.182 5.889 1.848 322 HD22 LEU 47 2HD2 LEU 47 2.477 5.479 0.284 323 HD23 LEU 47 3HD2 LEU 47 3.302 4.241 1.232 324 H LYS 48 H LYS 48 1.556 9.430 3.015 325 HA LYS 48 HA LYS 48 -0.467 11.160 2.927 326 HB2 LYS 48 1HB LYS 48 2.197 11.192 1.605 327 HB3 LYS 48 2HB LYS 48 1.053 12.444 1.141 328 HG2 LYS 48 1HG LYS 48 0.797 12.837 3.675 329 HG3 LYS 48 2HG LYS 48 2.305 11.930 3.807 330 HD2 LYS 48 1HD LYS 48 3.149 14.044 3.615 331 HD3 LYS 48 2HD LYS 48 3.060 13.610 1.907 332 HE2 LYS 48 1HE LYS 48 2.142 15.799 2.152 333 HE3 LYS 48 2HE LYS 48 0.810 14.690 1.830 334 HZ1 LYS 48 1HZ LYS 48 0.170 14.735 4.089 335 HZ2 LYS 48 2HZ LYS 48 0.415 16.347 3.641 336 HZ3 LYS 48 3HZ LYS 48 1.581 15.539 4.564 337 H SER 49 H SER 49 0.605 9.238 0.180 338 HA SER 49 HA SER 49 -0.217 9.010 -1.947 339 HB2 SER 49 1HB SER 49 -2.467 8.261 -2.014 340 HB3 SER 49 2HB SER 49 -1.886 7.840 -0.403 341 HG SER 49 HG SER 49 -2.854 10.254 -0.189 342 H ASN 50 H ASN 50 0.496 11.629 -1.513 343 HA ASN 50 HA ASN 50 -1.662 13.141 -2.832 344 HB2 ASN 50 1HB ASN 50 0.314 13.887 -0.739 345 HB3 ASN 50 2HB ASN 50 -0.079 15.113 -1.940 346 HD21 ASN 50 1HD2 ASN 50 -1.021 13.600 0.914 347 HD22 ASN 50 2HD2 ASN 50 -2.594 14.301 1.061 348 H GLU 51 H GLU 51 -0.996 14.743 -4.413 349 HA GLU 51 HA GLU 51 0.619 13.758 -6.416 350 HB2 GLU 51 1HB GLU 51 -0.228 16.574 -5.767 351 HB3 GLU 51 2HB GLU 51 0.721 16.197 -7.198 352 HG2 GLU 51 1HG GLU 51 -1.766 16.373 -7.526 353 HG3 GLU 51 2HG GLU 51 -1.004 14.904 -8.133 354 HA PRO 52 HA PRO 52 4.791 14.444 -5.227 355 HB2 PRO 52 1HB PRO 52 5.941 14.821 -7.657 356 HB3 PRO 52 2HB PRO 52 5.382 13.242 -7.093 357 HG2 PRO 52 1HG PRO 52 4.035 15.183 -8.931 358 HG3 PRO 52 2HG PRO 52 4.168 13.420 -9.069 359 HD2 PRO 52 1HD PRO 52 1.932 14.645 -8.157 360 HD3 PRO 52 2HD PRO 52 2.449 13.048 -7.579 361 H GLU 53 H GLU 53 6.705 16.006 -6.346 362 HA GLU 53 HA GLU 53 7.555 18.116 -6.390 363 HB2 GLU 53 1HB GLU 53 4.733 18.839 -7.197 364 HB3 GLU 53 2HB GLU 53 6.107 19.934 -7.266 365 HG2 GLU 53 1HG GLU 53 7.169 18.618 -8.942 366 HG3 GLU 53 2HG GLU 53 5.981 17.329 -8.760 367 H GLY 54 H GLY 54 6.745 17.085 -3.913 368 HA2 GLY 54 1HA GLY 54 6.636 19.493 -2.378 369 HA3 GLY 54 2HA GLY 54 5.112 18.620 -2.315 370 H GLN 55 H GLN 55 6.029 15.997 -2.314 371 HA GLN 55 HA GLN 55 7.489 15.890 0.244 372 HB2 GLN 55 1HB GLN 55 5.275 15.174 0.679 373 HB3 GLN 55 2HB GLN 55 5.212 14.215 -0.794 374 HG2 GLN 55 1HG GLN 55 6.973 12.740 0.193 375 HG3 GLN 55 2HG GLN 55 6.779 13.630 1.703 376 HE21 GLN 55 1HE2 GLN 55 6.025 11.911 2.873 377 HE22 GLN 55 2HE2 GLN 55 4.480 11.186 2.603 378 H VAL 56 H VAL 56 6.892 14.209 -2.817 379 HA VAL 56 HA VAL 56 9.641 13.272 -2.826 380 HB VAL 56 HB VAL 56 8.432 11.470 -1.654 381 HG11 VAL 56 1HG1 VAL 56 6.802 11.386 -4.187 382 HG12 VAL 56 2HG1 VAL 56 6.823 10.093 -2.986 383 HG13 VAL 56 3HG1 VAL 56 6.229 11.695 -2.548 384 HG21 VAL 56 1HG2 VAL 56 9.667 9.875 -2.659 385 HG22 VAL 56 2HG2 VAL 56 8.982 10.198 -4.252 386 HG23 VAL 56 3HG2 VAL 56 10.270 11.225 -3.621 387 H GLU 57 H GLU 57 10.442 12.891 -4.868 388 HA GLU 57 HA GLU 57 9.287 14.208 -7.023 389 HB2 GLU 57 1HB GLU 57 11.251 11.918 -7.199 390 HB3 GLU 57 2HB GLU 57 10.988 13.174 -8.401 391 HG2 GLU 57 1HG GLU 57 12.033 14.801 -7.116 392 HG3 GLU 57 2HG GLU 57 11.866 13.870 -5.629 393 HA PRO 58 HA PRO 58 6.287 11.497 -8.730 394 HB2 PRO 58 1HB PRO 58 6.528 12.048 -11.377 395 HB3 PRO 58 2HB PRO 58 5.800 13.172 -10.224 396 HG2 PRO 58 1HG PRO 58 8.571 13.150 -11.355 397 HG3 PRO 58 2HG PRO 58 7.477 14.522 -11.102 398 HD2 PRO 58 1HD PRO 58 9.505 13.944 -9.403 399 HD3 PRO 58 2HD PRO 58 7.981 14.672 -8.858 400 H GLY 59 H GLY 59 9.571 11.346 -9.957 401 HA2 GLY 59 1HA GLY 59 9.078 8.719 -11.154 402 HA3 GLY 59 2HA GLY 59 10.540 9.678 -11.328 403 H ALA 60 H ALA 60 10.726 10.194 -8.441 404 HA ALA 60 HA ALA 60 12.484 8.225 -7.675 405 HB1 ALA 60 1HB ALA 60 12.588 10.147 -6.396 406 HB2 ALA 60 2HB ALA 60 10.846 10.181 -6.117 407 HB3 ALA 60 3HB ALA 60 11.850 8.997 -5.280 408 H LEU 61 H LEU 61 9.158 8.535 -6.408 409 HA LEU 61 HA LEU 61 9.218 5.673 -5.759 410 HB2 LEU 61 1HB LEU 61 8.706 7.202 -3.924 411 HB3 LEU 61 2HB LEU 61 7.344 7.849 -4.837 412 HG LEU 61 HG LEU 61 6.319 5.557 -4.741 413 HD11 LEU 61 1HD1 LEU 61 8.861 4.902 -3.687 414 HD12 LEU 61 2HD1 LEU 61 7.482 3.840 -3.966 415 HD13 LEU 61 3HD1 LEU 61 7.670 4.650 -2.411 416 HD21 LEU 61 1HD2 LEU 61 6.703 6.393 -1.930 417 HD22 LEU 61 2HD2 LEU 61 5.219 6.098 -2.836 418 HD23 LEU 61 3HD2 LEU 61 6.096 7.614 -3.050 419 H ARG 62 H ARG 62 7.869 4.243 -6.697 420 HA ARG 62 HA ARG 62 5.805 5.291 -8.517 421 HB2 ARG 62 1HB ARG 62 7.753 3.036 -9.004 422 HB3 ARG 62 2HB ARG 62 6.322 3.309 -9.990 423 HG2 ARG 62 1HG ARG 62 7.147 5.404 -10.752 424 HG3 ARG 62 2HG ARG 62 8.471 5.372 -9.586 425 HD2 ARG 62 1HD ARG 62 9.487 3.507 -10.715 426 HD3 ARG 62 2HD ARG 62 8.105 3.360 -11.799 427 HE ARG 62 HE ARG 62 10.274 5.251 -11.990 428 HH11 ARG 62 2HH1 ARG 62 7.005 4.497 -12.918 429 HH12 ARG 62 1HH1 ARG 62 7.034 5.505 -14.328 430 HH21 ARG 62 2HH2 ARG 62 10.326 6.581 -13.843 431 HH22 ARG 62 1HH2 ARG 62 8.924 6.689 -14.853 432 H TYR 63 H TYR 63 3.869 4.695 -7.823 433 HA TYR 63 HA TYR 63 3.390 1.936 -7.054 434 HB2 TYR 63 1HB TYR 63 2.277 2.537 -4.951 435 HB3 TYR 63 2HB TYR 63 3.976 2.997 -4.924 436 HD1 TYR 63 1HD TYR 63 4.309 5.515 -5.960 437 HD2 TYR 63 2HD TYR 63 0.851 4.044 -3.966 438 HE1 TYR 63 1HE TYR 63 3.680 7.817 -5.368 439 HE2 TYR 63 2HE TYR 63 0.210 6.343 -3.369 440 HH TYR 63 HH TYR 63 1.537 8.596 -3.044 441 H ARG 64 H ARG 64 0.966 1.644 -6.561 442 HA ARG 64 HA ARG 64 -0.710 3.523 -8.042 443 HB2 ARG 64 1HB ARG 64 0.096 1.758 -9.632 444 HB3 ARG 64 2HB ARG 64 -0.723 0.562 -8.637 445 HG2 ARG 64 1HG ARG 64 -2.850 1.840 -9.037 446 HG3 ARG 64 2HG ARG 64 -1.959 2.790 -10.229 447 HD2 ARG 64 1HD ARG 64 -2.915 1.143 -11.537 448 HD3 ARG 64 2HD ARG 64 -1.315 0.477 -11.212 449 HE ARG 64 HE ARG 64 -2.839 -0.541 -9.216 450 HH11 ARG 64 2HH1 ARG 64 -3.139 -0.482 -12.684 451 HH12 ARG 64 1HH1 ARG 64 -3.993 -1.987 -12.766 452 HH21 ARG 64 2HH2 ARG 64 -3.964 -2.523 -9.311 453 HH22 ARG 64 1HH2 ARG 64 -4.463 -3.147 -10.847 454 H ILE 65 H ILE 65 -2.647 3.808 -7.116 455 HA ILE 65 HA ILE 65 -3.491 1.857 -5.073 456 HB ILE 65 HB ILE 65 -3.885 4.851 -5.058 457 HG12 ILE 65 1HG1 ILE 65 -2.311 3.052 -3.202 458 HG13 ILE 65 2HG1 ILE 65 -1.611 4.084 -4.444 459 HG21 ILE 65 1HG2 ILE 65 -5.791 3.414 -4.170 460 HG22 ILE 65 2HG2 ILE 65 -4.683 2.942 -2.882 461 HG23 ILE 65 3HG2 ILE 65 -5.134 4.635 -3.080 462 HD11 ILE 65 1HD1 ILE 65 -2.869 5.979 -3.180 463 HD12 ILE 65 2HD1 ILE 65 -2.855 4.826 -1.845 464 HD13 ILE 65 3HD1 ILE 65 -1.337 5.361 -2.563 465 H GLU 66 H GLU 66 -5.043 0.698 -6.064 466 HA GLU 66 HA GLU 66 -7.086 2.111 -7.624 467 HB2 GLU 66 1HB GLU 66 -6.457 -0.839 -7.421 468 HB3 GLU 66 2HB GLU 66 -7.735 -0.149 -8.413 469 HG2 GLU 66 1HG GLU 66 -4.925 0.781 -8.771 470 HG3 GLU 66 2HG GLU 66 -5.438 -0.755 -9.466 471 H GLN 67 H GLN 67 -8.790 2.745 -6.482 472 HA GLN 67 HA GLN 67 -9.762 1.004 -4.316 473 HB2 GLN 67 1HB GLN 67 -9.147 3.120 -3.415 474 HB3 GLN 67 2HB GLN 67 -9.959 3.986 -4.712 475 HG2 GLN 67 1HG GLN 67 -11.561 2.214 -2.937 476 HG3 GLN 67 2HG GLN 67 -11.036 3.787 -2.338 477 HE21 GLN 67 1HE2 GLN 67 -13.704 2.636 -3.090 478 HE22 GLN 67 2HE2 GLN 67 -14.384 3.794 -4.177 479 H LYS 68 H LYS 68 -11.212 -0.302 -5.313 480 HA LYS 68 HA LYS 68 -13.447 1.023 -6.705 481 HB2 LYS 68 1HB LYS 68 -11.881 -0.433 -8.122 482 HB3 LYS 68 2HB LYS 68 -12.559 -1.803 -7.254 483 HG2 LYS 68 1HG LYS 68 -14.800 -1.169 -8.043 484 HG3 LYS 68 2HG LYS 68 -14.082 0.159 -8.957 485 HD2 LYS 68 1HD LYS 68 -14.400 -1.634 -10.483 486 HD3 LYS 68 2HD LYS 68 -12.670 -1.561 -10.137 487 HE2 LYS 68 1HE LYS 68 -12.869 -3.400 -8.581 488 HE3 LYS 68 2HE LYS 68 -14.620 -3.425 -8.786 489 HZ1 LYS 68 1HZ LYS 68 -14.374 -4.771 -10.507 490 HZ2 LYS 68 2HZ LYS 68 -12.698 -4.782 -10.282 491 HZ3 LYS 68 3HZ LYS 68 -13.406 -3.638 -11.308 492 H GLY 69 H GLY 69 -14.609 1.171 -4.736 493 HA2 GLY 69 1HA GLY 69 -16.121 0.453 -3.166 494 HA3 GLY 69 2HA GLY 69 -16.392 -0.917 -4.234 495 H LEU 70 H LEU 70 -16.229 -2.759 -3.159 496 HA LEU 70 HA LEU 70 -14.605 -2.950 -0.773 497 HB2 LEU 70 1HB LEU 70 -15.481 -5.406 -0.961 498 HB3 LEU 70 2HB LEU 70 -16.548 -4.103 -0.445 499 HG LEU 70 HG LEU 70 -16.491 -4.805 -3.335 500 HD11 LEU 70 1HD1 LEU 70 -18.085 -6.397 -1.340 501 HD12 LEU 70 2HD1 LEU 70 -16.580 -6.965 -2.064 502 HD13 LEU 70 3HD1 LEU 70 -17.981 -6.638 -3.084 503 HD21 LEU 70 1HD2 LEU 70 -18.502 -3.772 -3.382 504 HD22 LEU 70 2HD2 LEU 70 -17.879 -2.998 -1.924 505 HD23 LEU 70 3HD2 LEU 70 -18.974 -4.375 -1.793 506 H GLN 71 H GLN 71 -13.189 -2.523 -3.242 507 HA GLN 71 HA GLN 71 -11.407 -4.829 -3.101 508 HB2 GLN 71 1HB GLN 71 -13.141 -4.893 -5.094 509 HB3 GLN 71 2HB GLN 71 -12.012 -3.759 -5.822 510 HG2 GLN 71 1HG GLN 71 -10.261 -5.331 -5.804 511 HG3 GLN 71 2HG GLN 71 -11.141 -6.411 -4.723 512 HE21 GLN 71 1HE2 GLN 71 -10.390 -5.683 -7.911 513 HE22 GLN 71 2HE2 GLN 71 -11.517 -6.738 -8.688 514 H HIS 72 H HIS 72 -9.632 -3.846 -2.357 515 HA HIS 72 HA HIS 72 -8.695 -1.442 -3.783 516 HB2 HIS 72 1HB HIS 72 -8.241 -2.155 -0.877 517 HB3 HIS 72 2HB HIS 72 -7.610 -0.729 -1.696 518 HD2 HIS 72 2HD HIS 72 -11.198 -2.150 -0.804 519 HE1 HIS 72 1HE HIS 72 -11.312 2.091 -0.882 520 HE2 HIS 72 2HE HIS 72 -12.587 -0.015 -0.351 521 H ARG 73 H ARG 73 -6.454 -1.247 -4.149 522 HA ARG 73 HA ARG 73 -4.731 -3.491 -3.492 523 HB2 ARG 73 1HB ARG 73 -5.962 -3.980 -5.689 524 HB3 ARG 73 2HB ARG 73 -4.996 -2.684 -6.380 525 HG2 ARG 73 1HG ARG 73 -2.955 -3.883 -5.800 526 HG3 ARG 73 2HG ARG 73 -3.917 -5.180 -5.087 527 HD2 ARG 73 1HD ARG 73 -5.043 -5.316 -7.400 528 HD3 ARG 73 2HD ARG 73 -3.655 -4.387 -7.967 529 HE ARG 73 HE ARG 73 -2.294 -6.233 -7.614 530 HH11 ARG 73 2HH1 ARG 73 -5.521 -6.830 -6.451 531 HH12 ARG 73 1HH1 ARG 73 -5.282 -8.537 -6.277 532 HH21 ARG 73 2HH2 ARG 73 -1.968 -8.479 -7.389 533 HH22 ARG 73 1HH2 ARG 73 -3.261 -9.474 -6.810 534 H LEU 74 H LEU 74 -2.586 -2.952 -3.413 535 HA LEU 74 HA LEU 74 -1.822 -0.268 -4.329 536 HB2 LEU 74 1HB LEU 74 -2.189 0.058 -2.026 537 HB3 LEU 74 2HB LEU 74 -1.420 -1.472 -1.607 538 HG LEU 74 HG LEU 74 0.760 -0.496 -2.314 539 HD11 LEU 74 1HD1 LEU 74 0.825 1.400 -3.455 540 HD12 LEU 74 2HD1 LEU 74 0.106 2.252 -2.088 541 HD13 LEU 74 3HD1 LEU 74 -0.928 1.548 -3.331 542 HD21 LEU 74 1HD2 LEU 74 -0.785 0.050 0.023 543 HD22 LEU 74 2HD2 LEU 74 0.233 1.445 -0.335 544 HD23 LEU 74 3HD2 LEU 74 0.961 -0.150 -0.133 545 H ILE 75 H ILE 75 -0.487 -0.820 -5.959 546 HA ILE 75 HA ILE 75 1.539 -2.888 -5.494 547 HB ILE 75 HB ILE 75 0.871 -1.503 -8.091 548 HG12 ILE 75 1HG1 ILE 75 -0.090 -3.979 -8.444 549 HG13 ILE 75 2HG1 ILE 75 -0.341 -3.841 -6.708 550 HG21 ILE 75 1HG2 ILE 75 2.010 -4.165 -8.222 551 HG22 ILE 75 2HG2 ILE 75 2.518 -2.678 -9.022 552 HG23 ILE 75 3HG2 ILE 75 3.066 -3.029 -7.383 553 HD11 ILE 75 1HD1 ILE 75 -2.100 -2.519 -6.982 554 HD12 ILE 75 2HD1 ILE 75 -1.249 -1.490 -8.134 555 HD13 ILE 75 3HD1 ILE 75 -2.041 -2.966 -8.686 556 H LEU 76 H LEU 76 3.596 -2.378 -5.130 557 HA LEU 76 HA LEU 76 4.446 0.399 -5.617 558 HB2 LEU 76 1HB LEU 76 5.647 -1.577 -3.687 559 HB3 LEU 76 2HB LEU 76 6.031 0.137 -3.831 560 HG LEU 76 HG LEU 76 3.247 -0.674 -3.124 561 HD11 LEU 76 1HD1 LEU 76 5.662 -0.946 -1.404 562 HD12 LEU 76 2HD1 LEU 76 4.211 -1.944 -1.480 563 HD13 LEU 76 3HD1 LEU 76 4.158 -0.371 -0.685 564 HD21 LEU 76 1HD2 LEU 76 4.926 1.720 -3.073 565 HD22 LEU 76 2HD2 LEU 76 3.993 1.465 -1.598 566 HD23 LEU 76 3HD2 LEU 76 3.171 1.564 -3.157 567 H HIS 77 H HIS 77 5.311 0.295 -7.636 568 HA HIS 77 HA HIS 77 7.046 -1.862 -8.434 569 HB2 HIS 77 1HB HIS 77 6.905 0.683 -9.982 570 HB3 HIS 77 2HB HIS 77 6.944 -0.981 -10.559 571 HD1 HIS 77 1HD HIS 77 4.755 -2.005 -11.189 572 HD2 HIS 77 2HD HIS 77 4.292 1.472 -8.963 573 HE1 HIS 77 1HE HIS 77 2.290 -1.510 -11.221 574 HE2 HIS 77 2HE HIS 77 2.044 0.645 -9.940 575 H ALA 78 H ALA 78 9.206 -1.937 -8.336 576 HA ALA 78 HA ALA 78 11.384 -1.318 -8.037 577 HB1 ALA 78 1HB ALA 78 11.797 0.473 -9.280 578 HB2 ALA 78 2HB ALA 78 10.146 1.059 -9.071 579 HB3 ALA 78 3HB ALA 78 11.386 1.477 -7.888 580 H VAL 79 H VAL 79 10.205 -2.121 -5.838 581 HA VAL 79 HA VAL 79 10.023 -0.271 -3.711 582 HB VAL 79 HB VAL 79 10.216 -2.291 -2.236 583 HG11 VAL 79 1HG1 VAL 79 8.174 -1.572 -4.073 584 HG12 VAL 79 2HG1 VAL 79 8.201 -3.332 -3.941 585 HG13 VAL 79 3HG1 VAL 79 8.013 -2.341 -2.494 586 HG21 VAL 79 1HG2 VAL 79 9.884 -4.424 -3.875 587 HG22 VAL 79 2HG2 VAL 79 11.046 -3.470 -4.798 588 HG23 VAL 79 3HG2 VAL 79 11.422 -3.960 -3.146 589 H LYS 80 H LYS 80 11.431 -0.320 -1.760 590 HA LYS 80 HA LYS 80 14.266 -0.475 -2.548 591 HB2 LYS 80 1HB LYS 80 13.082 1.287 -0.400 592 HB3 LYS 80 2HB LYS 80 14.727 1.329 -1.020 593 HG2 LYS 80 1HG LYS 80 12.261 1.985 -2.619 594 HG3 LYS 80 2HG LYS 80 13.337 3.168 -1.870 595 HD2 LYS 80 1HD LYS 80 14.252 1.118 -3.882 596 HD3 LYS 80 2HD LYS 80 13.740 2.751 -4.316 597 HE2 LYS 80 1HE LYS 80 15.488 3.648 -2.807 598 HE3 LYS 80 2HE LYS 80 16.031 1.999 -2.503 599 HZ1 LYS 80 1HZ LYS 80 17.224 3.367 -4.288 600 HZ2 LYS 80 2HZ LYS 80 15.872 3.052 -5.254 601 HZ3 LYS 80 3HZ LYS 80 16.803 1.771 -4.661 602 H HIS 81 H HIS 81 15.779 -1.237 -1.023 603 HA HIS 81 HA HIS 81 14.782 -3.332 0.656 604 HB2 HIS 81 1HB HIS 81 16.831 -3.795 -0.429 605 HB3 HIS 81 2HB HIS 81 17.538 -2.263 0.075 606 HD1 HIS 81 1HD HIS 81 16.118 -5.302 1.892 607 HD2 HIS 81 2HD HIS 81 19.318 -2.658 2.055 608 HE1 HIS 81 1HE HIS 81 17.519 -6.061 3.838 609 HE2 HIS 81 2HE HIS 81 19.404 -4.395 3.969 610 H GLN 82 H GLN 82 16.395 -0.223 1.224 611 HA GLN 82 HA GLN 82 16.804 -0.254 3.910 612 HB2 GLN 82 1HB GLN 82 16.433 2.178 3.904 613 HB3 GLN 82 2HB GLN 82 17.381 1.659 2.517 614 HG2 GLN 82 1HG GLN 82 15.076 1.607 1.310 615 HG3 GLN 82 2HG GLN 82 14.580 2.671 2.625 616 HE21 GLN 82 1HE2 GLN 82 14.843 4.755 2.297 617 HE22 GLN 82 2HE2 GLN 82 15.936 5.481 1.173 618 H ASP 83 H ASP 83 13.745 -0.167 2.265 619 HA ASP 83 HA ASP 83 12.309 0.328 4.766 620 HB2 ASP 83 1HB ASP 83 11.778 1.370 2.400 621 HB3 ASP 83 2HB ASP 83 10.918 -0.149 2.162 622 H SER 84 H SER 84 13.776 -2.149 4.327 623 HA SER 84 HA SER 84 12.235 -4.307 3.545 624 HB2 SER 84 1HB SER 84 14.655 -4.387 4.181 625 HB3 SER 84 2HB SER 84 14.169 -4.296 5.874 626 HG SER 84 HG SER 84 14.329 -6.429 5.489 627 H GLY 85 H GLY 85 11.092 -5.915 4.817 628 HA2 GLY 85 1HA GLY 85 9.227 -6.374 6.103 629 HA3 GLY 85 2HA GLY 85 10.287 -5.851 7.404 630 H ALA 86 H ALA 86 8.774 -4.000 4.776 631 HA ALA 86 HA ALA 86 8.056 -1.868 6.506 632 HB1 ALA 86 1HB ALA 86 6.913 -2.391 3.772 633 HB2 ALA 86 2HB ALA 86 7.074 -0.845 4.605 634 HB3 ALA 86 3HB ALA 86 8.511 -1.694 4.037 635 H LEU 87 H LEU 87 5.736 -1.036 6.563 636 HA LEU 87 HA LEU 87 3.915 -3.286 7.119 637 HB2 LEU 87 1HB LEU 87 4.859 -1.700 9.007 638 HB3 LEU 87 2HB LEU 87 3.566 -0.644 8.445 639 HG LEU 87 HG LEU 87 2.764 -1.860 10.333 640 HD11 LEU 87 1HD1 LEU 87 0.793 -2.772 9.459 641 HD12 LEU 87 2HD1 LEU 87 1.589 -3.303 7.978 642 HD13 LEU 87 3HD1 LEU 87 1.304 -1.586 8.259 643 HD21 LEU 87 1HD2 LEU 87 4.350 -3.978 9.228 644 HD22 LEU 87 2HD2 LEU 87 2.703 -4.544 9.510 645 HD23 LEU 87 3HD2 LEU 87 3.632 -3.840 10.834 646 H VAL 88 H VAL 88 2.447 -3.394 5.553 647 HA VAL 88 HA VAL 88 1.323 -0.878 4.505 648 HB VAL 88 HB VAL 88 1.365 -3.568 3.131 649 HG11 VAL 88 1HG1 VAL 88 -0.477 -2.355 2.315 650 HG12 VAL 88 2HG1 VAL 88 0.423 -0.837 2.305 651 HG13 VAL 88 3HG1 VAL 88 0.806 -2.097 1.132 652 HG21 VAL 88 1HG2 VAL 88 3.146 -1.161 2.826 653 HG22 VAL 88 2HG2 VAL 88 3.615 -2.815 3.222 654 HG23 VAL 88 3HG2 VAL 88 3.018 -2.430 1.608 655 H GLY 89 H GLY 89 -0.602 -0.459 5.365 656 HA2 GLY 89 1HA GLY 89 -2.569 -2.638 5.499 657 HA3 GLY 89 2HA GLY 89 -2.273 -1.673 6.938 658 H PHE 90 H PHE 90 -4.758 -1.973 5.500 659 HA PHE 90 HA PHE 90 -5.133 0.759 4.472 660 HB2 PHE 90 1HB PHE 90 -5.789 -0.677 2.747 661 HB3 PHE 90 2HB PHE 90 -6.505 -1.840 3.858 662 HD1 PHE 90 2HD PHE 90 -6.961 1.458 2.274 663 HD2 PHE 90 1HD PHE 90 -8.767 -1.674 4.519 664 HE1 PHE 90 2HE PHE 90 -9.173 2.466 1.894 665 HE2 PHE 90 1HE PHE 90 -10.983 -0.672 4.142 666 HZ PHE 90 HZ PHE 90 -11.188 1.401 2.829 667 H SER 91 H SER 91 -5.794 2.021 6.096 668 HA SER 91 HA SER 91 -7.565 0.975 8.153 669 HB2 SER 91 1HB SER 91 -7.229 3.189 9.226 670 HB3 SER 91 2HB SER 91 -5.706 2.372 8.877 671 HG SER 91 HG SER 91 -5.347 3.742 7.199 672 H CYS 92 H CYS 92 -9.693 1.325 8.254 673 HA CYS 92 HA CYS 92 -10.893 3.547 6.808 674 HB2 CYS 92 1HB CYS 92 -12.139 2.342 5.318 675 HB3 CYS 92 2HB CYS 92 -10.752 1.266 5.434 676 HG CYS 92 HG CYS 92 -13.621 0.861 7.254 677 HA PRO 93 HA PRO 93 -13.657 3.658 10.211 678 HB2 PRO 93 1HB PRO 93 -15.937 4.559 9.045 679 HB3 PRO 93 2HB PRO 93 -14.521 5.585 9.307 680 HG2 PRO 93 1HG PRO 93 -15.406 4.176 6.818 681 HG3 PRO 93 2HG PRO 93 -14.775 5.823 7.008 682 HD2 PRO 93 1HD PRO 93 -13.243 3.767 6.135 683 HD3 PRO 93 2HD PRO 93 -12.585 5.108 7.094 684 H GLY 94 H GLY 94 -13.587 1.242 10.320 685 HA2 GLY 94 1HA GLY 94 -15.780 -0.032 10.982 686 HA3 GLY 94 2HA GLY 94 -15.972 -0.073 9.236 687 H VAL 95 H VAL 95 -12.886 -0.223 9.162 688 HA VAL 95 HA VAL 95 -12.521 -2.985 10.058 689 HB VAL 95 HB VAL 95 -12.122 -2.062 7.212 690 HG11 VAL 95 1HG1 VAL 95 -11.198 -4.279 6.766 691 HG12 VAL 95 2HG1 VAL 95 -10.208 -3.398 7.933 692 HG13 VAL 95 3HG1 VAL 95 -11.299 -4.671 8.482 693 HG21 VAL 95 1HG2 VAL 95 -13.502 -4.495 7.336 694 HG22 VAL 95 2HG2 VAL 95 -14.215 -3.476 8.586 695 HG23 VAL 95 3HG2 VAL 95 -14.156 -2.911 6.917 696 H GLN 96 H GLN 96 -10.384 -3.573 10.435 697 HA GLN 96 HA GLN 96 -8.289 -1.612 9.905 698 HB2 GLN 96 1HB GLN 96 -8.830 -2.681 12.681 699 HB3 GLN 96 2HB GLN 96 -7.518 -1.605 12.218 700 HG2 GLN 96 1HG GLN 96 -9.174 0.108 11.602 701 HG3 GLN 96 2HG GLN 96 -10.458 -0.968 12.153 702 HE21 GLN 96 1HE2 GLN 96 -11.057 -0.846 14.203 703 HE22 GLN 96 2HE2 GLN 96 -10.191 -0.036 15.460 704 H ASP 97 H ASP 97 -6.844 -2.776 8.824 705 HA ASP 97 HA ASP 97 -5.694 -5.126 10.056 706 HB2 ASP 97 1HB ASP 97 -7.710 -5.841 8.601 707 HB3 ASP 97 2HB ASP 97 -6.679 -5.436 7.232 708 H SER 98 H SER 98 -3.719 -5.823 8.997 709 HA SER 98 HA SER 98 -2.615 -4.163 6.907 710 HB2 SER 98 1HB SER 98 -0.741 -3.308 8.192 711 HB3 SER 98 2HB SER 98 -2.245 -2.808 8.966 712 HG SER 98 HG SER 98 -0.380 -4.750 9.783 713 H ALA 99 H ALA 99 -0.521 -4.923 6.171 714 HA ALA 99 HA ALA 99 0.024 -7.708 6.969 715 HB1 ALA 99 1HB ALA 99 -0.795 -8.094 4.882 716 HB2 ALA 99 2HB ALA 99 -0.324 -6.504 4.281 717 HB3 ALA 99 3HB ALA 99 0.888 -7.771 4.463 718 H ALA 100 H ALA 100 2.292 -8.327 5.871 719 HA ALA 100 HA ALA 100 4.184 -6.219 6.691 720 HB1 ALA 100 1HB ALA 100 4.909 -9.116 6.756 721 HB2 ALA 100 2HB ALA 100 5.555 -7.775 7.702 722 HB3 ALA 100 3HB ALA 100 3.953 -8.418 8.064 723 H LEU 101 H LEU 101 5.814 -5.682 5.336 724 HA LEU 101 HA LEU 101 5.987 -7.167 2.797 725 HB2 LEU 101 1HB LEU 101 5.103 -5.036 2.314 726 HB3 LEU 101 2HB LEU 101 6.241 -4.235 3.394 727 HG LEU 101 HG LEU 101 8.064 -4.920 1.786 728 HD11 LEU 101 1HD1 LEU 101 7.050 -6.674 0.568 729 HD12 LEU 101 2HD1 LEU 101 7.232 -5.329 -0.558 730 HD13 LEU 101 3HD1 LEU 101 5.655 -5.677 0.152 731 HD21 LEU 101 1HD2 LEU 101 6.564 -3.245 0.040 732 HD22 LEU 101 2HD2 LEU 101 7.879 -2.809 1.131 733 HD23 LEU 101 3HD2 LEU 101 6.211 -2.783 1.705 734 H THR 102 H THR 102 7.723 -8.451 3.000 735 HA THR 102 HA THR 102 10.132 -7.474 4.312 736 HB THR 102 HB THR 102 9.476 -10.185 3.145 737 HG1 THR 102 1HG THR 102 9.199 -10.774 5.274 738 HG21 THR 102 1HG2 THR 102 12.000 -9.008 4.021 739 HG22 THR 102 2HG2 THR 102 11.698 -10.484 3.104 740 HG23 THR 102 3HG2 THR 102 11.601 -10.503 4.865 741 H ILE 103 H ILE 103 12.085 -7.142 3.315 742 HA ILE 103 HA ILE 103 12.240 -7.527 0.413 743 HB ILE 103 HB ILE 103 13.012 -4.945 1.776 744 HG12 ILE 103 1HG1 ILE 103 10.773 -5.382 -0.203 745 HG13 ILE 103 2HG1 ILE 103 10.523 -5.402 1.539 746 HG21 ILE 103 1HG2 ILE 103 13.220 -4.183 -0.631 747 HG22 ILE 103 2HG2 ILE 103 14.463 -5.289 -0.050 748 HG23 ILE 103 3HG2 ILE 103 13.159 -5.889 -1.074 749 HD11 ILE 103 1HD1 ILE 103 11.717 -3.068 1.403 750 HD12 ILE 103 2HD1 ILE 103 11.143 -3.130 -0.264 751 HD13 ILE 103 3HD1 ILE 103 9.994 -3.240 1.069 752 H GLN 104 H GLN 104 14.030 -8.598 -0.069 753 HA GLN 104 HA GLN 104 16.271 -8.539 1.823 754 HB2 GLN 104 1HB GLN 104 15.447 -10.506 -0.304 755 HB3 GLN 104 2HB GLN 104 17.033 -10.560 0.455 756 HG2 GLN 104 1HG GLN 104 14.459 -10.670 2.001 757 HG3 GLN 104 2HG GLN 104 15.309 -12.101 1.420 758 HE21 GLN 104 1HE2 GLN 104 14.882 -11.931 4.043 759 HE22 GLN 104 2HE2 GLN 104 16.340 -11.564 4.893 760 H GLU 105 H GLU 105 18.464 -8.517 0.957 761 HA GLU 105 HA GLU 105 18.758 -6.472 -1.036 762 HB2 GLU 105 1HB GLU 105 20.780 -8.105 0.504 763 HB3 GLU 105 2HB GLU 105 21.212 -6.826 -0.623 764 HG2 GLU 105 1HG GLU 105 19.919 -5.232 0.752 765 HG3 GLU 105 2HG GLU 105 19.617 -6.526 1.911 766 H SER 106 H SER 106 19.670 -6.631 -3.066 767 HA SER 106 HA SER 106 19.401 -9.221 -4.334 768 HB2 SER 106 1HB SER 106 19.900 -6.432 -5.361 769 HB3 SER 106 2HB SER 106 20.017 -7.840 -6.417 770 HG SER 106 HG SER 106 17.735 -7.570 -4.828 771 H SER 107 H SER 107 21.011 -10.584 -4.718 772 HA SER 107 HA SER 107 23.685 -9.652 -5.275 773 HB2 SER 107 1HB SER 107 24.785 -10.800 -3.453 774 HB3 SER 107 2HB SER 107 23.584 -9.702 -2.774 775 HG SER 107 HG SER 107 22.277 -11.889 -3.094 776 H GLY 108 H GLY 108 25.106 -11.370 -5.996 777 HA2 GLY 108 1HA GLY 108 23.562 -13.601 -7.134 778 HA3 GLY 108 2HA GLY 108 25.074 -12.975 -7.776 779 HA PRO 109 HA PRO 109 26.159 -16.839 -5.553 780 HB2 PRO 109 1HB PRO 109 28.096 -17.557 -7.315 781 HB3 PRO 109 2HB PRO 109 26.386 -17.930 -7.562 782 HG2 PRO 109 1HG PRO 109 28.030 -15.716 -8.728 783 HG3 PRO 109 2HG PRO 109 26.832 -16.757 -9.520 784 HD2 PRO 109 1HD PRO 109 26.264 -14.235 -8.716 785 HD3 PRO 109 2HD PRO 109 25.052 -15.531 -8.721 786 H SER 110 H SER 110 27.641 -16.921 -3.977 787 HA SER 110 HA SER 110 30.136 -15.408 -4.272 788 HB2 SER 110 1HB SER 110 29.929 -14.501 -2.007 789 HB3 SER 110 2HB SER 110 28.564 -13.989 -3.000 790 HG SER 110 HG SER 110 27.417 -15.816 -2.042 791 H SER 111 H SER 111 31.642 -15.943 -2.357 792 HA SER 111 HA SER 111 31.301 -18.475 -1.075 793 HB2 SER 111 1HB SER 111 31.834 -19.380 -3.240 794 HB3 SER 111 2HB SER 111 33.198 -18.277 -3.423 795 HG SER 111 HG SER 111 34.347 -19.428 -1.991 796 H GLY 112 H GLY 112 32.490 -18.516 0.734 797 HA2 GLY 112 1HA GLY 112 34.820 -18.168 1.619 798 HA3 GLY 112 2HA GLY 112 34.682 -16.547 0.954 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -4.935 17.663 11.108 2 HA2 GLY 1 1HA GLY 1 -6.054 15.561 12.410 3 HA3 GLY 1 2HA GLY 1 -6.910 16.940 13.083 4 H SER 2 H SER 2 -7.313 14.585 10.973 5 HA SER 2 HA SER 2 -8.648 16.249 8.947 6 HB2 SER 2 1HB SER 2 -7.720 13.371 8.835 7 HB3 SER 2 2HB SER 2 -8.653 14.158 7.563 8 HG SER 2 HG SER 2 -6.303 15.382 8.471 9 H SER 3 H SER 3 -10.732 16.542 9.352 10 HA SER 3 HA SER 3 -12.298 14.254 10.351 11 HB2 SER 3 1HB SER 3 -12.664 17.183 11.028 12 HB3 SER 3 2HB SER 3 -13.757 15.890 11.520 13 HG SER 3 HG SER 3 -11.186 15.315 12.155 14 H GLY 4 H GLY 4 -14.643 14.405 9.812 15 HA2 GLY 4 1HA GLY 4 -16.402 15.131 8.404 16 HA3 GLY 4 2HA GLY 4 -15.226 15.982 7.414 17 H SER 5 H SER 5 -16.584 12.833 8.184 18 HA SER 5 HA SER 5 -16.227 11.974 5.462 19 HB2 SER 5 1HB SER 5 -14.694 10.626 7.693 20 HB3 SER 5 2HB SER 5 -14.974 9.887 6.116 21 HG SER 5 HG SER 5 -13.054 10.888 5.901 22 H SER 6 H SER 6 -17.919 10.769 4.907 23 HA SER 6 HA SER 6 -19.414 9.398 7.046 24 HB2 SER 6 1HB SER 6 -21.462 9.807 5.720 25 HB3 SER 6 2HB SER 6 -20.674 11.312 6.193 26 HG SER 6 HG SER 6 -19.611 11.045 4.001 27 H GLY 7 H GLY 7 -19.276 7.266 6.880 28 HA2 GLY 7 1HA GLY 7 -20.145 5.578 5.036 29 HA3 GLY 7 2HA GLY 7 -18.619 6.054 4.307 30 H THR 8 H THR 8 -19.655 3.462 5.438 31 HA THR 8 HA THR 8 -17.231 2.802 6.908 32 HB THR 8 HB THR 8 -18.559 1.520 8.624 33 HG1 THR 8 1HG THR 8 -20.711 1.878 8.793 34 HG21 THR 8 1HG2 THR 8 -18.405 3.259 10.066 35 HG22 THR 8 2HG2 THR 8 -19.353 4.333 9.038 36 HG23 THR 8 3HG2 THR 8 -17.646 4.060 8.691 37 H ALA 9 H ALA 9 -16.861 0.490 7.065 38 HA ALA 9 HA ALA 9 -18.566 -1.284 5.549 39 HB1 ALA 9 1HB ALA 9 -15.760 -1.193 4.564 40 HB2 ALA 9 2HB ALA 9 -17.235 -1.692 3.734 41 HB3 ALA 9 3HB ALA 9 -16.900 0.022 3.982 42 H ARG 10 H ARG 10 -17.298 -3.500 5.310 43 HA ARG 10 HA ARG 10 -15.937 -4.001 7.876 44 HB2 ARG 10 1HB ARG 10 -18.384 -4.915 7.371 45 HB3 ARG 10 2HB ARG 10 -17.477 -6.177 6.547 46 HG2 ARG 10 1HG ARG 10 -16.643 -5.470 9.301 47 HG3 ARG 10 2HG ARG 10 -18.158 -6.352 9.099 48 HD2 ARG 10 1HD ARG 10 -15.740 -7.300 7.642 49 HD3 ARG 10 2HD ARG 10 -15.862 -7.614 9.373 50 HE ARG 10 HE ARG 10 -18.174 -8.369 7.800 51 HH11 ARG 10 2HH1 ARG 10 -15.157 -9.362 9.226 52 HH12 ARG 10 1HH1 ARG 10 -15.559 -11.047 9.222 53 HH21 ARG 10 2HH2 ARG 10 -18.715 -10.585 7.790 54 HH22 ARG 10 1HH2 ARG 10 -17.584 -11.741 8.404 55 H LEU 11 H LEU 11 -14.382 -5.714 7.898 56 HA LEU 11 HA LEU 11 -13.005 -5.975 5.339 57 HB2 LEU 11 1HB LEU 11 -11.797 -5.218 7.375 58 HB3 LEU 11 2HB LEU 11 -12.093 -6.802 8.090 59 HG LEU 11 HG LEU 11 -10.785 -7.791 6.180 60 HD11 LEU 11 1HD1 LEU 11 -9.788 -4.991 5.749 61 HD12 LEU 11 2HD1 LEU 11 -11.064 -5.702 4.761 62 HD13 LEU 11 3HD1 LEU 11 -9.461 -6.437 4.792 63 HD21 LEU 11 1HD2 LEU 11 -9.953 -6.672 8.578 64 HD22 LEU 11 2HD2 LEU 11 -8.791 -6.077 7.392 65 HD23 LEU 11 3HD2 LEU 11 -9.053 -7.812 7.577 66 H VAL 12 H VAL 12 -12.857 -7.823 4.220 67 HA VAL 12 HA VAL 12 -14.016 -10.246 5.432 68 HB VAL 12 HB VAL 12 -14.113 -10.873 2.846 69 HG11 VAL 12 1HG1 VAL 12 -15.929 -10.167 4.793 70 HG12 VAL 12 2HG1 VAL 12 -16.327 -9.087 3.455 71 HG13 VAL 12 3HG1 VAL 12 -16.315 -10.833 3.207 72 HG21 VAL 12 1HG2 VAL 12 -14.331 -7.864 2.868 73 HG22 VAL 12 2HG2 VAL 12 -13.080 -8.816 2.068 74 HG23 VAL 12 3HG2 VAL 12 -14.750 -8.909 1.511 75 H ALA 13 H ALA 13 -11.417 -9.018 3.376 76 HA ALA 13 HA ALA 13 -9.841 -11.396 4.074 77 HB1 ALA 13 1HB ALA 13 -9.558 -10.231 1.343 78 HB2 ALA 13 2HB ALA 13 -9.209 -11.864 1.913 79 HB3 ALA 13 3HB ALA 13 -10.879 -11.351 1.675 80 H GLY 14 H GLY 14 -8.895 -9.957 5.655 81 HA2 GLY 14 1HA GLY 14 -7.724 -7.518 5.280 82 HA3 GLY 14 2HA GLY 14 -7.061 -8.746 6.348 83 H LEU 15 H LEU 15 -5.285 -7.087 5.285 84 HA LEU 15 HA LEU 15 -4.265 -7.871 2.753 85 HB2 LEU 15 1HB LEU 15 -2.974 -6.413 5.052 86 HB3 LEU 15 2HB LEU 15 -2.234 -6.620 3.466 87 HG LEU 15 HG LEU 15 -4.911 -5.328 3.610 88 HD11 LEU 15 1HD1 LEU 15 -3.564 -3.129 3.835 89 HD12 LEU 15 2HD1 LEU 15 -2.356 -4.147 4.618 90 HD13 LEU 15 3HD1 LEU 15 -3.983 -4.035 5.288 91 HD21 LEU 15 1HD2 LEU 15 -3.333 -5.909 1.554 92 HD22 LEU 15 2HD2 LEU 15 -2.632 -4.348 1.984 93 HD23 LEU 15 3HD2 LEU 15 -4.346 -4.465 1.583 94 H GLU 16 H GLU 16 -2.093 -8.819 2.424 95 HA GLU 16 HA GLU 16 -1.409 -10.808 4.482 96 HB2 GLU 16 1HB GLU 16 -1.034 -12.483 2.750 97 HB3 GLU 16 2HB GLU 16 -2.694 -11.905 2.699 98 HG2 GLU 16 1HG GLU 16 -2.012 -10.368 0.849 99 HG3 GLU 16 2HG GLU 16 -0.451 -11.186 0.833 100 H ASP 17 H ASP 17 0.731 -11.143 4.833 101 HA ASP 17 HA ASP 17 2.596 -9.208 4.214 102 HB2 ASP 17 1HB ASP 17 3.167 -12.122 4.800 103 HB3 ASP 17 2HB ASP 17 4.300 -10.785 4.981 104 H VAL 18 H VAL 18 4.012 -8.831 2.595 105 HA VAL 18 HA VAL 18 4.146 -10.791 0.401 106 HB VAL 18 HB VAL 18 3.910 -7.794 0.089 107 HG11 VAL 18 1HG1 VAL 18 4.100 -9.923 -2.038 108 HG12 VAL 18 2HG1 VAL 18 3.967 -8.182 -2.293 109 HG13 VAL 18 3HG1 VAL 18 5.420 -8.859 -1.555 110 HG21 VAL 18 1HG2 VAL 18 1.998 -10.061 -0.384 111 HG22 VAL 18 2HG2 VAL 18 1.755 -8.594 0.564 112 HG23 VAL 18 3HG2 VAL 18 1.819 -8.506 -1.196 113 H GLN 19 H GLN 19 6.144 -11.284 -0.247 114 HA GLN 19 HA GLN 19 8.336 -9.439 0.413 115 HB2 GLN 19 1HB GLN 19 9.659 -11.101 1.343 116 HB3 GLN 19 2HB GLN 19 8.060 -11.522 1.944 117 HG2 GLN 19 1HG GLN 19 7.978 -13.023 -0.193 118 HG3 GLN 19 2HG GLN 19 9.734 -12.881 -0.108 119 HE21 GLN 19 1HE2 GLN 19 10.496 -14.696 0.704 120 HE22 GLN 19 2HE2 GLN 19 9.896 -15.516 2.102 121 H VAL 20 H VAL 20 9.760 -9.082 -1.186 122 HA VAL 20 HA VAL 20 9.973 -10.969 -3.400 123 HB VAL 20 HB VAL 20 9.689 -9.214 -5.096 124 HG11 VAL 20 1HG1 VAL 20 7.755 -10.635 -3.916 125 HG12 VAL 20 2HG1 VAL 20 7.163 -9.009 -3.573 126 HG13 VAL 20 3HG1 VAL 20 7.448 -9.511 -5.240 127 HG21 VAL 20 1HG2 VAL 20 8.600 -7.073 -4.407 128 HG22 VAL 20 2HG2 VAL 20 8.939 -7.503 -2.731 129 HG23 VAL 20 3HG2 VAL 20 10.268 -7.248 -3.862 130 H TYR 21 H TYR 21 11.782 -10.450 -4.854 131 HA TYR 21 HA TYR 21 14.072 -9.610 -3.336 132 HB2 TYR 21 1HB TYR 21 13.629 -10.773 -6.056 133 HB3 TYR 21 2HB TYR 21 15.174 -10.014 -5.693 134 HD1 TYR 21 1HD TYR 21 12.817 -12.437 -4.085 135 HD2 TYR 21 2HD TYR 21 16.851 -11.409 -4.962 136 HE1 TYR 21 1HE TYR 21 13.575 -14.512 -3.003 137 HE2 TYR 21 2HE TYR 21 17.620 -13.481 -3.883 138 HH TYR 21 HH TYR 21 16.663 -15.751 -3.364 139 H ASP 22 H ASP 22 15.631 -8.023 -4.116 140 HA ASP 22 HA ASP 22 14.631 -5.489 -4.400 141 HB2 ASP 22 1HB ASP 22 17.211 -6.068 -5.774 142 HB3 ASP 22 2HB ASP 22 16.804 -4.782 -4.641 143 H GLY 23 H GLY 23 14.327 -4.042 -6.112 144 HA2 GLY 23 1HA GLY 23 13.958 -3.369 -8.298 145 HA3 GLY 23 2HA GLY 23 14.627 -4.900 -8.845 146 H GLU 24 H GLU 24 12.885 -6.620 -7.414 147 HA GLU 24 HA GLU 24 10.825 -6.974 -9.212 148 HB2 GLU 24 1HB GLU 24 10.768 -7.753 -6.292 149 HB3 GLU 24 2HB GLU 24 9.816 -8.473 -7.583 150 HG2 GLU 24 1HG GLU 24 12.806 -8.500 -7.674 151 HG3 GLU 24 2HG GLU 24 11.907 -9.706 -6.755 152 H ASP 25 H ASP 25 8.410 -7.038 -8.435 153 HA ASP 25 HA ASP 25 7.773 -4.365 -7.370 154 HB2 ASP 25 1HB ASP 25 5.906 -5.889 -9.157 155 HB3 ASP 25 2HB ASP 25 6.009 -4.152 -8.882 156 H ALA 26 H ALA 26 6.803 -4.378 -5.463 157 HA ALA 26 HA ALA 26 5.481 -6.824 -4.546 158 HB1 ALA 26 1HB ALA 26 6.018 -6.242 -2.418 159 HB2 ALA 26 2HB ALA 26 7.290 -5.357 -3.261 160 HB3 ALA 26 3HB ALA 26 5.836 -4.515 -2.725 161 H VAL 27 H VAL 27 3.340 -6.982 -4.439 162 HA VAL 27 HA VAL 27 1.737 -4.517 -4.325 163 HB VAL 27 HB VAL 27 1.352 -5.020 -6.533 164 HG11 VAL 27 1HG1 VAL 27 2.761 -7.077 -6.476 165 HG12 VAL 27 2HG1 VAL 27 1.341 -7.975 -5.936 166 HG13 VAL 27 3HG1 VAL 27 1.347 -7.201 -7.522 167 HG21 VAL 27 1HG2 VAL 27 -0.671 -6.908 -5.368 168 HG22 VAL 27 2HG2 VAL 27 -0.751 -5.170 -5.081 169 HG23 VAL 27 3HG2 VAL 27 -0.851 -5.797 -6.726 170 H PHE 28 H PHE 28 -0.248 -4.675 -3.250 171 HA PHE 28 HA PHE 28 -0.607 -7.137 -1.672 172 HB2 PHE 28 1HB PHE 28 -0.941 -4.251 -0.868 173 HB3 PHE 28 2HB PHE 28 -1.655 -5.570 0.054 174 HD1 PHE 28 2HD PHE 28 1.553 -4.182 -1.156 175 HD2 PHE 28 1HD PHE 28 -0.380 -6.807 1.582 176 HE1 PHE 28 2HE PHE 28 3.675 -4.475 0.056 177 HE2 PHE 28 1HE PHE 28 1.738 -7.103 2.799 178 HZ PHE 28 HZ PHE 28 3.769 -5.937 2.035 179 H SER 29 H SER 29 -2.914 -7.234 -0.734 180 HA SER 29 HA SER 29 -4.968 -6.058 -2.393 181 HB2 SER 29 1HB SER 29 -5.848 -8.079 -3.306 182 HB3 SER 29 2HB SER 29 -4.120 -8.092 -3.657 183 HG SER 29 HG SER 29 -3.805 -9.605 -2.112 184 H LEU 30 H LEU 30 -7.008 -6.145 -1.467 185 HA LEU 30 HA LEU 30 -7.486 -7.741 0.891 186 HB2 LEU 30 1HB LEU 30 -7.794 -5.986 2.434 187 HB3 LEU 30 2HB LEU 30 -6.227 -5.714 1.676 188 HG LEU 30 HG LEU 30 -7.680 -4.134 0.112 189 HD11 LEU 30 1HD1 LEU 30 -9.296 -2.934 1.701 190 HD12 LEU 30 2HD1 LEU 30 -9.273 -4.430 2.634 191 HD13 LEU 30 3HD1 LEU 30 -9.828 -4.444 0.961 192 HD21 LEU 30 1HD2 LEU 30 -6.472 -3.612 2.802 193 HD22 LEU 30 2HD2 LEU 30 -7.211 -2.306 1.875 194 HD23 LEU 30 3HD2 LEU 30 -5.851 -3.208 1.202 195 H ASP 31 H ASP 31 -9.645 -8.022 1.318 196 HA ASP 31 HA ASP 31 -11.493 -6.742 -0.584 197 HB2 ASP 31 1HB ASP 31 -11.588 -9.435 0.778 198 HB3 ASP 31 2HB ASP 31 -12.969 -8.743 -0.070 199 H LEU 32 H LEU 32 -13.586 -6.131 0.153 200 HA LEU 32 HA LEU 32 -13.789 -5.765 3.068 201 HB2 LEU 32 1HB LEU 32 -14.811 -3.778 1.061 202 HB3 LEU 32 2HB LEU 32 -14.619 -3.571 2.801 203 HG LEU 32 HG LEU 32 -12.314 -3.875 0.881 204 HD11 LEU 32 1HD1 LEU 32 -12.497 -1.739 0.321 205 HD12 LEU 32 2HD1 LEU 32 -12.551 -1.262 2.017 206 HD13 LEU 32 3HD1 LEU 32 -14.041 -1.674 1.169 207 HD21 LEU 32 1HD2 LEU 32 -11.279 -4.288 2.830 208 HD22 LEU 32 2HD2 LEU 32 -12.600 -3.625 3.792 209 HD23 LEU 32 3HD2 LEU 32 -11.409 -2.545 3.066 210 H SER 33 H SER 33 -16.212 -4.817 3.432 211 HA SER 33 HA SER 33 -17.941 -6.933 2.379 212 HB2 SER 33 1HB SER 33 -17.998 -6.878 4.749 213 HB3 SER 33 2HB SER 33 -18.137 -5.120 4.783 214 HG SER 33 HG SER 33 -20.194 -5.539 4.938 215 H THR 34 H THR 34 -17.482 -3.498 2.338 216 HA THR 34 HA THR 34 -19.465 -3.220 0.258 217 HB THR 34 HB THR 34 -20.925 -2.927 2.154 218 HG1 THR 34 1HG THR 34 -20.228 -0.372 1.095 219 HG21 THR 34 1HG2 THR 34 -20.532 -1.218 3.856 220 HG22 THR 34 2HG2 THR 34 -18.991 -0.809 3.102 221 HG23 THR 34 3HG2 THR 34 -19.219 -2.396 3.837 222 H ILE 35 H ILE 35 -19.052 -1.515 -1.084 223 HA ILE 35 HA ILE 35 -16.583 -0.476 -1.411 224 HB ILE 35 HB ILE 35 -19.118 1.073 -1.955 225 HG12 ILE 35 1HG1 ILE 35 -18.487 0.011 -4.331 226 HG13 ILE 35 2HG1 ILE 35 -17.822 -1.247 -3.294 227 HG21 ILE 35 1HG2 ILE 35 -16.827 2.231 -2.078 228 HG22 ILE 35 2HG2 ILE 35 -16.561 1.237 -3.510 229 HG23 ILE 35 3HG2 ILE 35 -17.908 2.374 -3.464 230 HD11 ILE 35 1HD1 ILE 35 -19.842 -2.112 -3.096 231 HD12 ILE 35 2HD1 ILE 35 -20.393 -0.630 -2.315 232 HD13 ILE 35 3HD1 ILE 35 -20.518 -0.804 -4.065 233 H ILE 36 H ILE 36 -15.409 1.307 -0.769 234 HA ILE 36 HA ILE 36 -16.422 3.379 0.873 235 HB ILE 36 HB ILE 36 -16.455 1.555 2.548 236 HG12 ILE 36 1HG1 ILE 36 -14.268 3.522 3.216 237 HG13 ILE 36 2HG1 ILE 36 -15.955 4.006 3.073 238 HG21 ILE 36 1HG2 ILE 36 -14.770 0.073 2.025 239 HG22 ILE 36 2HG2 ILE 36 -13.589 1.351 1.743 240 HG23 ILE 36 3HG2 ILE 36 -14.065 0.939 3.390 241 HD11 ILE 36 1HD1 ILE 36 -14.653 3.019 5.330 242 HD12 ILE 36 2HD1 ILE 36 -16.380 3.315 5.129 243 HD13 ILE 36 3HD1 ILE 36 -15.714 1.718 4.788 244 H GLN 37 H GLN 37 -14.896 5.002 1.270 245 HA GLN 37 HA GLN 37 -12.427 4.710 -0.285 246 HB2 GLN 37 1HB GLN 37 -13.856 6.550 -0.969 247 HB3 GLN 37 2HB GLN 37 -13.887 7.176 0.674 248 HG2 GLN 37 1HG GLN 37 -11.366 7.413 0.464 249 HG3 GLN 37 2HG GLN 37 -11.599 7.140 -1.262 250 HE21 GLN 37 1HE2 GLN 37 -11.382 9.015 -2.250 251 HE22 GLN 37 2HE2 GLN 37 -12.122 10.503 -1.779 252 H GLY 38 H GLY 38 -10.854 3.936 1.006 253 HA2 GLY 38 1HA GLY 38 -10.536 5.133 3.678 254 HA3 GLY 38 2HA GLY 38 -9.883 3.580 3.180 255 H THR 39 H THR 39 -7.873 4.408 4.088 256 HA THR 39 HA THR 39 -6.370 5.900 2.061 257 HB THR 39 HB THR 39 -6.268 6.504 5.023 258 HG1 THR 39 1HG THR 39 -8.049 7.435 3.830 259 HG21 THR 39 1HG2 THR 39 -4.795 7.985 2.865 260 HG22 THR 39 2HG2 THR 39 -4.084 6.582 3.662 261 HG23 THR 39 3HG2 THR 39 -4.521 8.005 4.606 262 H TRP 40 H TRP 40 -4.415 5.060 1.636 263 HA TRP 40 HA TRP 40 -3.639 2.635 2.998 264 HB2 TRP 40 1HB TRP 40 -2.638 4.114 0.582 265 HB3 TRP 40 2HB TRP 40 -1.684 2.815 1.293 266 HD1 TRP 40 HD TRP 40 -4.759 3.448 -0.823 267 HE1 TRP 40 1HE TRP 40 -5.685 1.200 -1.664 268 HE3 TRP 40 3HE TRP 40 -1.892 0.285 1.991 269 HZ2 TRP 40 2HZ TRP 40 -5.258 -1.551 -1.197 270 HZ3 TRP 40 3HZ TRP 40 -2.214 -2.141 1.734 271 HH2 TRP 40 HH TRP 40 -3.863 -3.038 0.173 272 H PHE 41 H PHE 41 -1.359 2.295 3.673 273 HA PHE 41 HA PHE 41 -0.020 4.713 4.630 274 HB2 PHE 41 1HB PHE 41 -1.168 2.540 6.325 275 HB3 PHE 41 2HB PHE 41 0.352 3.275 6.824 276 HD1 PHE 41 2HD PHE 41 -3.055 4.271 5.680 277 HD2 PHE 41 1HD PHE 41 0.272 5.110 8.200 278 HE1 PHE 41 2HE PHE 41 -4.296 6.139 6.690 279 HE2 PHE 41 1HE PHE 41 -0.965 6.979 9.215 280 HZ PHE 41 HZ PHE 41 -3.251 7.497 8.460 281 H LEU 42 H LEU 42 2.203 4.354 5.273 282 HA LEU 42 HA LEU 42 3.397 1.805 4.545 283 HB2 LEU 42 1HB LEU 42 3.214 3.356 2.500 284 HB3 LEU 42 2HB LEU 42 4.476 4.304 3.286 285 HG LEU 42 HG LEU 42 5.838 2.134 3.302 286 HD11 LEU 42 1HD1 LEU 42 4.971 0.873 1.073 287 HD12 LEU 42 2HD1 LEU 42 3.437 1.311 1.823 288 HD13 LEU 42 3HD1 LEU 42 4.611 0.346 2.717 289 HD21 LEU 42 1HD2 LEU 42 6.917 3.171 1.666 290 HD22 LEU 42 2HD2 LEU 42 5.496 4.177 1.389 291 HD23 LEU 42 3HD2 LEU 42 5.695 2.666 0.500 292 H ASN 43 H ASN 43 4.509 1.373 6.336 293 HA ASN 43 HA ASN 43 6.109 1.523 7.952 294 HB2 ASN 43 1HB ASN 43 7.025 4.211 7.033 295 HB3 ASN 43 2HB ASN 43 7.971 2.833 7.589 296 HD21 ASN 43 1HD2 ASN 43 7.632 0.845 6.078 297 HD22 ASN 43 2HD2 ASN 43 7.829 1.183 4.395 298 H GLY 44 H GLY 44 3.466 2.492 8.379 299 HA2 GLY 44 1HA GLY 44 2.384 3.433 10.196 300 HA3 GLY 44 2HA GLY 44 3.936 4.022 10.770 301 H GLU 45 H GLU 45 3.741 4.978 7.642 302 HA GLU 45 HA GLU 45 2.743 7.626 8.431 303 HB2 GLU 45 1HB GLU 45 4.800 8.114 7.594 304 HB3 GLU 45 2HB GLU 45 4.847 6.676 6.583 305 HG2 GLU 45 1HG GLU 45 3.681 7.694 4.856 306 HG3 GLU 45 2HG GLU 45 3.041 8.959 5.904 307 H GLU 46 H GLU 46 1.355 8.796 7.036 308 HA GLU 46 HA GLU 46 -0.473 7.076 5.564 309 HB2 GLU 46 1HB GLU 46 -1.333 8.738 7.196 310 HB3 GLU 46 2HB GLU 46 -0.687 10.026 6.189 311 HG2 GLU 46 1HG GLU 46 -2.535 8.076 4.934 312 HG3 GLU 46 2HG GLU 46 -3.209 9.265 6.047 313 H LEU 47 H LEU 47 -0.157 6.735 3.475 314 HA LEU 47 HA LEU 47 1.615 8.210 1.864 315 HB2 LEU 47 1HB LEU 47 -0.566 6.248 1.213 316 HB3 LEU 47 2HB LEU 47 0.450 6.978 -0.029 317 HG LEU 47 HG LEU 47 1.656 5.460 2.260 318 HD11 LEU 47 1HD1 LEU 47 -0.140 4.144 0.960 319 HD12 LEU 47 2HD1 LEU 47 1.454 3.421 1.171 320 HD13 LEU 47 3HD1 LEU 47 1.023 4.170 -0.366 321 HD21 LEU 47 1HD2 LEU 47 3.057 5.077 -0.115 322 HD22 LEU 47 2HD2 LEU 47 3.506 6.130 1.227 323 HD23 LEU 47 3HD2 LEU 47 2.587 6.776 -0.133 324 H LYS 48 H LYS 48 0.998 9.291 -0.204 325 HA LYS 48 HA LYS 48 -1.408 10.951 0.183 326 HB2 LYS 48 1HB LYS 48 1.232 11.706 -1.083 327 HB3 LYS 48 2HB LYS 48 -0.191 12.738 -1.037 328 HG2 LYS 48 1HG LYS 48 1.048 11.664 1.472 329 HG3 LYS 48 2HG LYS 48 1.638 13.137 0.698 330 HD2 LYS 48 1HD LYS 48 -1.282 12.847 1.244 331 HD3 LYS 48 2HD LYS 48 -0.193 13.251 2.573 332 HE2 LYS 48 1HE LYS 48 -0.747 15.349 1.837 333 HE3 LYS 48 2HE LYS 48 0.696 15.044 0.871 334 HZ1 LYS 48 1HZ LYS 48 -1.799 15.712 -0.063 335 HZ2 LYS 48 2HZ LYS 48 -1.636 14.069 -0.429 336 HZ3 LYS 48 3HZ LYS 48 -0.485 15.177 -0.985 337 H SER 49 H SER 49 -2.925 10.274 -1.187 338 HA SER 49 HA SER 49 -2.277 9.033 -3.698 339 HB2 SER 49 1HB SER 49 -4.200 8.204 -2.511 340 HB3 SER 49 2HB SER 49 -4.913 9.815 -2.436 341 HG SER 49 HG SER 49 -4.376 9.166 -4.987 342 H ASN 50 H ASN 50 -4.244 11.896 -2.874 343 HA ASN 50 HA ASN 50 -4.692 12.958 -5.320 344 HB2 ASN 50 1HB ASN 50 -5.196 13.877 -2.909 345 HB3 ASN 50 2HB ASN 50 -3.737 14.825 -3.181 346 HD21 ASN 50 1HD2 ASN 50 -6.806 13.977 -4.729 347 HD22 ASN 50 2HD2 ASN 50 -7.069 15.525 -5.450 348 H GLU 51 H GLU 51 -1.835 13.831 -3.362 349 HA GLU 51 HA GLU 51 -0.096 13.719 -5.632 350 HB2 GLU 51 1HB GLU 51 0.540 16.112 -5.604 351 HB3 GLU 51 2HB GLU 51 -1.116 15.854 -6.135 352 HG2 GLU 51 1HG GLU 51 -1.779 16.335 -3.718 353 HG3 GLU 51 2HG GLU 51 -0.139 16.954 -3.526 354 HA PRO 52 HA PRO 52 2.669 12.950 -2.279 355 HB2 PRO 52 1HB PRO 52 4.991 13.024 -3.684 356 HB3 PRO 52 2HB PRO 52 3.859 11.668 -3.768 357 HG2 PRO 52 1HG PRO 52 4.213 13.960 -5.660 358 HG3 PRO 52 2HG PRO 52 3.975 12.240 -6.019 359 HD2 PRO 52 1HD PRO 52 1.967 14.050 -6.164 360 HD3 PRO 52 2HD PRO 52 1.696 12.359 -5.696 361 H GLU 53 H GLU 53 2.207 15.867 -3.730 362 HA GLU 53 HA GLU 53 4.462 17.390 -3.180 363 HB2 GLU 53 1HB GLU 53 1.531 18.064 -3.231 364 HB3 GLU 53 2HB GLU 53 2.740 19.286 -2.862 365 HG2 GLU 53 1HG GLU 53 3.846 18.506 -5.069 366 HG3 GLU 53 2HG GLU 53 2.261 17.817 -5.415 367 H GLY 54 H GLY 54 5.417 16.770 -1.237 368 HA2 GLY 54 1HA GLY 54 4.815 18.256 1.029 369 HA3 GLY 54 2HA GLY 54 4.034 16.696 1.242 370 H GLN 55 H GLN 55 5.187 15.293 2.368 371 HA GLN 55 HA GLN 55 7.909 15.721 3.022 372 HB2 GLN 55 1HB GLN 55 6.122 13.314 3.385 373 HB3 GLN 55 2HB GLN 55 7.752 13.426 4.034 374 HG2 GLN 55 1HG GLN 55 5.648 15.461 4.679 375 HG3 GLN 55 2HG GLN 55 5.816 13.964 5.594 376 HE21 GLN 55 1HE2 GLN 55 8.346 13.569 6.006 377 HE22 GLN 55 2HE2 GLN 55 9.113 14.901 6.794 378 H VAL 56 H VAL 56 6.397 13.076 1.161 379 HA VAL 56 HA VAL 56 8.958 12.276 0.090 380 HB VAL 56 HB VAL 56 6.174 11.277 -0.531 381 HG11 VAL 56 1HG1 VAL 56 7.631 9.260 -1.336 382 HG12 VAL 56 2HG1 VAL 56 7.347 10.635 -2.406 383 HG13 VAL 56 3HG1 VAL 56 8.874 10.495 -1.533 384 HG21 VAL 56 1HG2 VAL 56 8.299 10.421 1.397 385 HG22 VAL 56 2HG2 VAL 56 6.573 10.658 1.672 386 HG23 VAL 56 3HG2 VAL 56 7.136 9.255 0.765 387 H GLU 57 H GLU 57 9.619 12.401 -2.049 388 HA GLU 57 HA GLU 57 8.505 14.623 -3.536 389 HB2 GLU 57 1HB GLU 57 10.439 14.325 -5.016 390 HB3 GLU 57 2HB GLU 57 10.929 14.427 -3.331 391 HG2 GLU 57 1HG GLU 57 11.191 12.015 -3.239 392 HG3 GLU 57 2HG GLU 57 10.647 11.881 -4.910 393 HA PRO 58 HA PRO 58 6.117 12.334 -6.421 394 HB2 PRO 58 1HB PRO 58 6.391 13.866 -8.646 395 HB3 PRO 58 2HB PRO 58 5.416 14.357 -7.256 396 HG2 PRO 58 1HG PRO 58 8.202 15.166 -7.995 397 HG3 PRO 58 2HG PRO 58 6.869 16.167 -7.391 398 HD2 PRO 58 1HD PRO 58 8.877 15.298 -5.796 399 HD3 PRO 58 2HD PRO 58 7.222 15.538 -5.202 400 H GLY 59 H GLY 59 9.418 12.414 -6.535 401 HA2 GLY 59 1HA GLY 59 9.455 10.505 -8.782 402 HA3 GLY 59 2HA GLY 59 10.666 11.774 -8.671 403 H ALA 60 H ALA 60 9.274 9.646 -6.185 404 HA ALA 60 HA ALA 60 12.017 8.818 -5.508 405 HB1 ALA 60 1HB ALA 60 11.378 8.588 -3.277 406 HB2 ALA 60 2HB ALA 60 10.543 10.049 -3.805 407 HB3 ALA 60 3HB ALA 60 9.661 8.527 -3.676 408 H LEU 61 H LEU 61 8.696 7.512 -5.348 409 HA LEU 61 HA LEU 61 9.713 4.980 -6.420 410 HB2 LEU 61 1HB LEU 61 8.730 3.666 -4.766 411 HB3 LEU 61 2HB LEU 61 9.507 4.977 -3.881 412 HG LEU 61 HG LEU 61 6.586 5.077 -4.563 413 HD11 LEU 61 1HD1 LEU 61 6.169 4.170 -2.289 414 HD12 LEU 61 2HD1 LEU 61 7.876 3.737 -2.193 415 HD13 LEU 61 3HD1 LEU 61 6.845 2.990 -3.413 416 HD21 LEU 61 1HD2 LEU 61 8.203 6.975 -3.577 417 HD22 LEU 61 2HD2 LEU 61 7.727 6.185 -2.074 418 HD23 LEU 61 3HD2 LEU 61 6.496 6.842 -3.155 419 H ARG 62 H ARG 62 8.094 3.643 -7.405 420 HA ARG 62 HA ARG 62 5.828 5.218 -8.403 421 HB2 ARG 62 1HB ARG 62 7.237 2.787 -9.504 422 HB3 ARG 62 2HB ARG 62 5.743 3.420 -10.181 423 HG2 ARG 62 1HG ARG 62 8.122 5.199 -9.860 424 HG3 ARG 62 2HG ARG 62 8.003 4.096 -11.232 425 HD2 ARG 62 1HD ARG 62 5.840 6.054 -10.494 426 HD3 ARG 62 2HD ARG 62 7.141 6.435 -11.620 427 HE ARG 62 HE ARG 62 5.962 4.068 -12.480 428 HH11 ARG 62 2HH1 ARG 62 5.094 7.414 -12.064 429 HH12 ARG 62 1HH1 ARG 62 3.927 7.406 -13.344 430 HH21 ARG 62 2HH2 ARG 62 4.428 4.045 -14.169 431 HH22 ARG 62 1HH2 ARG 62 3.548 5.489 -14.540 432 H TYR 63 H TYR 63 3.864 4.793 -7.662 433 HA TYR 63 HA TYR 63 3.229 2.059 -6.793 434 HB2 TYR 63 1HB TYR 63 1.895 3.054 -4.912 435 HB3 TYR 63 2HB TYR 63 3.637 3.244 -4.749 436 HD1 TYR 63 1HD TYR 63 4.564 5.517 -5.804 437 HD2 TYR 63 2HD TYR 63 0.576 4.890 -4.461 438 HE1 TYR 63 1HE TYR 63 4.279 7.945 -5.536 439 HE2 TYR 63 2HE TYR 63 0.280 7.317 -4.190 440 HH TYR 63 HH TYR 63 2.426 9.402 -3.832 441 H ARG 64 H ARG 64 1.113 1.397 -7.121 442 HA ARG 64 HA ARG 64 -0.644 3.286 -8.537 443 HB2 ARG 64 1HB ARG 64 0.523 1.682 -10.092 444 HB3 ARG 64 2HB ARG 64 -0.326 0.376 -9.277 445 HG2 ARG 64 1HG ARG 64 -2.445 1.206 -10.002 446 HG3 ARG 64 2HG ARG 64 -1.704 2.676 -10.641 447 HD2 ARG 64 1HD ARG 64 -0.892 -0.034 -11.636 448 HD3 ARG 64 2HD ARG 64 -2.313 0.786 -12.282 449 HE ARG 64 HE ARG 64 0.446 1.451 -12.764 450 HH11 ARG 64 2HH1 ARG 64 -2.835 2.613 -12.762 451 HH12 ARG 64 1HH1 ARG 64 -2.523 3.885 -13.896 452 HH21 ARG 64 2HH2 ARG 64 0.870 3.121 -14.258 453 HH22 ARG 64 1HH2 ARG 64 -0.416 4.172 -14.748 454 H ILE 65 H ILE 65 -2.484 3.522 -7.470 455 HA ILE 65 HA ILE 65 -3.393 1.367 -5.698 456 HB ILE 65 HB ILE 65 -4.236 4.265 -5.798 457 HG12 ILE 65 1HG1 ILE 65 -2.737 2.904 -3.574 458 HG13 ILE 65 2HG1 ILE 65 -1.885 3.608 -4.944 459 HG21 ILE 65 1HG2 ILE 65 -5.674 3.883 -4.025 460 HG22 ILE 65 2HG2 ILE 65 -5.907 2.446 -5.019 461 HG23 ILE 65 3HG2 ILE 65 -4.889 2.367 -3.582 462 HD11 ILE 65 1HD1 ILE 65 -2.499 4.918 -2.655 463 HD12 ILE 65 2HD1 ILE 65 -2.190 5.696 -4.208 464 HD13 ILE 65 3HD1 ILE 65 -3.847 5.382 -3.693 465 H GLU 66 H GLU 66 -5.166 0.220 -6.135 466 HA GLU 66 HA GLU 66 -6.970 1.203 -8.248 467 HB2 GLU 66 1HB GLU 66 -6.229 -1.670 -7.665 468 HB3 GLU 66 2HB GLU 66 -7.345 -1.127 -8.911 469 HG2 GLU 66 1HG GLU 66 -5.404 0.176 -9.884 470 HG3 GLU 66 2HG GLU 66 -4.373 -0.737 -8.784 471 H GLN 67 H GLN 67 -9.050 1.387 -7.719 472 HA GLN 67 HA GLN 67 -10.043 -0.088 -5.376 473 HB2 GLN 67 1HB GLN 67 -9.578 2.255 -4.754 474 HB3 GLN 67 2HB GLN 67 -10.652 2.799 -6.036 475 HG2 GLN 67 1HG GLN 67 -12.362 1.234 -4.757 476 HG3 GLN 67 2HG GLN 67 -11.288 1.595 -3.406 477 HE21 GLN 67 1HE2 GLN 67 -14.106 2.434 -4.456 478 HE22 GLN 67 2HE2 GLN 67 -14.119 4.136 -4.162 479 H LYS 68 H LYS 68 -11.408 -1.519 -6.245 480 HA LYS 68 HA LYS 68 -13.552 -0.486 -7.966 481 HB2 LYS 68 1HB LYS 68 -11.662 -2.714 -8.520 482 HB3 LYS 68 2HB LYS 68 -13.342 -2.951 -8.984 483 HG2 LYS 68 1HG LYS 68 -11.762 -0.535 -9.811 484 HG3 LYS 68 2HG LYS 68 -11.797 -2.027 -10.754 485 HD2 LYS 68 1HD LYS 68 -14.327 -0.645 -9.916 486 HD3 LYS 68 2HD LYS 68 -13.455 -0.162 -11.372 487 HE2 LYS 68 1HE LYS 68 -13.871 -2.165 -12.443 488 HE3 LYS 68 2HE LYS 68 -14.112 -3.042 -10.933 489 HZ1 LYS 68 1HZ LYS 68 -16.181 -1.652 -10.664 490 HZ2 LYS 68 2HZ LYS 68 -16.225 -2.815 -11.892 491 HZ3 LYS 68 3HZ LYS 68 -15.984 -1.186 -12.278 492 H GLY 69 H GLY 69 -15.054 -0.513 -6.316 493 HA2 GLY 69 1HA GLY 69 -16.565 -1.395 -4.826 494 HA3 GLY 69 2HA GLY 69 -16.538 -2.801 -5.880 495 H LEU 70 H LEU 70 -15.699 -1.545 -2.831 496 HA LEU 70 HA LEU 70 -14.349 -2.340 -1.124 497 HB2 LEU 70 1HB LEU 70 -15.128 -4.822 -0.687 498 HB3 LEU 70 2HB LEU 70 -16.196 -3.449 -0.407 499 HG LEU 70 HG LEU 70 -16.297 -4.773 -3.068 500 HD11 LEU 70 1HD1 LEU 70 -17.200 -6.000 -0.494 501 HD12 LEU 70 2HD1 LEU 70 -16.383 -6.750 -1.864 502 HD13 LEU 70 3HD1 LEU 70 -18.082 -6.297 -1.992 503 HD21 LEU 70 1HD2 LEU 70 -18.701 -4.072 -1.510 504 HD22 LEU 70 2HD2 LEU 70 -18.323 -3.789 -3.210 505 HD23 LEU 70 3HD2 LEU 70 -17.655 -2.728 -1.968 506 H GLN 71 H GLN 71 -12.898 -2.437 -3.529 507 HA GLN 71 HA GLN 71 -11.199 -4.767 -2.991 508 HB2 GLN 71 1HB GLN 71 -12.714 -5.015 -5.067 509 HB3 GLN 71 2HB GLN 71 -11.663 -3.813 -5.804 510 HG2 GLN 71 1HG GLN 71 -9.806 -5.226 -5.743 511 HG3 GLN 71 2HG GLN 71 -10.558 -6.308 -4.572 512 HE21 GLN 71 1HE2 GLN 71 -9.442 -6.528 -7.423 513 HE22 GLN 71 2HE2 GLN 71 -10.654 -7.437 -8.254 514 H HIS 72 H HIS 72 -9.457 -3.805 -2.137 515 HA HIS 72 HA HIS 72 -8.328 -1.480 -3.549 516 HB2 HIS 72 1HB HIS 72 -7.966 -2.312 -0.663 517 HB3 HIS 72 2HB HIS 72 -7.213 -0.913 -1.422 518 HD2 HIS 72 2HD HIS 72 -10.485 -1.885 0.316 519 HE1 HIS 72 1HE HIS 72 -11.034 1.996 -1.308 520 HE2 HIS 72 2HE HIS 72 -11.932 0.259 0.280 521 H ARG 73 H ARG 73 -6.289 -1.568 -4.320 522 HA ARG 73 HA ARG 73 -4.516 -3.730 -3.496 523 HB2 ARG 73 1HB ARG 73 -6.018 -4.296 -5.596 524 HB3 ARG 73 2HB ARG 73 -4.830 -3.307 -6.435 525 HG2 ARG 73 1HG ARG 73 -3.060 -4.797 -5.423 526 HG3 ARG 73 2HG ARG 73 -4.377 -5.863 -4.929 527 HD2 ARG 73 1HD ARG 73 -3.666 -5.039 -7.740 528 HD3 ARG 73 2HD ARG 73 -3.460 -6.636 -7.021 529 HE ARG 73 HE ARG 73 -6.175 -5.654 -7.033 530 HH11 ARG 73 2HH1 ARG 73 -3.737 -7.459 -8.741 531 HH12 ARG 73 1HH1 ARG 73 -4.878 -8.354 -9.689 532 HH21 ARG 73 2HH2 ARG 73 -7.687 -6.825 -8.276 533 HH22 ARG 73 1HH2 ARG 73 -7.124 -7.991 -9.425 534 H LEU 74 H LEU 74 -2.543 -2.944 -3.192 535 HA LEU 74 HA LEU 74 -1.785 -0.479 -4.617 536 HB2 LEU 74 1HB LEU 74 -1.909 0.056 -2.340 537 HB3 LEU 74 2HB LEU 74 -1.165 -1.465 -1.854 538 HG LEU 74 HG LEU 74 0.954 -0.563 -2.991 539 HD11 LEU 74 1HD1 LEU 74 0.863 1.422 -3.966 540 HD12 LEU 74 2HD1 LEU 74 0.417 2.160 -2.428 541 HD13 LEU 74 3HD1 LEU 74 -0.837 1.577 -3.522 542 HD21 LEU 74 1HD2 LEU 74 1.140 1.107 -0.880 543 HD22 LEU 74 2HD2 LEU 74 1.299 -0.646 -0.766 544 HD23 LEU 74 3HD2 LEU 74 -0.242 0.126 -0.390 545 H ILE 75 H ILE 75 -0.360 -0.847 -6.173 546 HA ILE 75 HA ILE 75 1.523 -3.083 -5.887 547 HB ILE 75 HB ILE 75 0.860 -1.514 -8.380 548 HG12 ILE 75 1HG1 ILE 75 -0.179 -3.937 -8.860 549 HG13 ILE 75 2HG1 ILE 75 -0.384 -3.900 -7.112 550 HG21 ILE 75 1HG2 ILE 75 2.090 -3.131 -9.579 551 HG22 ILE 75 2HG2 ILE 75 3.102 -2.677 -8.209 552 HG23 ILE 75 3HG2 ILE 75 2.205 -4.195 -8.177 553 HD11 ILE 75 1HD1 ILE 75 -2.119 -2.875 -8.970 554 HD12 ILE 75 2HD1 ILE 75 -2.095 -2.491 -7.248 555 HD13 ILE 75 3HD1 ILE 75 -1.257 -1.447 -8.397 556 H LEU 76 H LEU 76 3.690 -2.784 -5.866 557 HA LEU 76 HA LEU 76 4.692 -0.036 -6.208 558 HB2 LEU 76 1HB LEU 76 5.732 -2.012 -4.189 559 HB3 LEU 76 2HB LEU 76 6.193 -0.321 -4.367 560 HG LEU 76 HG LEU 76 3.371 -1.044 -3.679 561 HD11 LEU 76 1HD1 LEU 76 5.695 -0.888 -1.768 562 HD12 LEU 76 2HD1 LEU 76 4.648 -2.275 -2.064 563 HD13 LEU 76 3HD1 LEU 76 3.998 -0.830 -1.289 564 HD21 LEU 76 1HD2 LEU 76 3.575 1.148 -2.474 565 HD22 LEU 76 2HD2 LEU 76 3.723 1.243 -4.229 566 HD23 LEU 76 3HD2 LEU 76 5.165 1.331 -3.217 567 H HIS 77 H HIS 77 5.618 -0.252 -8.184 568 HA HIS 77 HA HIS 77 7.222 -2.561 -8.849 569 HB2 HIS 77 1HB HIS 77 7.242 -0.093 -10.526 570 HB3 HIS 77 2HB HIS 77 7.212 -1.783 -11.019 571 HD1 HIS 77 1HD HIS 77 4.956 -2.823 -11.473 572 HD2 HIS 77 2HD HIS 77 4.683 0.961 -9.780 573 HE1 HIS 77 1HE HIS 77 2.527 -2.191 -11.628 574 HE2 HIS 77 2HE HIS 77 2.401 0.138 -10.676 575 H ALA 78 H ALA 78 9.371 -2.749 -8.695 576 HA ALA 78 HA ALA 78 11.580 -2.213 -8.436 577 HB1 ALA 78 1HB ALA 78 10.546 0.043 -9.690 578 HB2 ALA 78 2HB ALA 78 11.428 0.667 -8.295 579 HB3 ALA 78 3HB ALA 78 12.249 -0.362 -9.469 580 H VAL 79 H VAL 79 10.359 -2.959 -6.240 581 HA VAL 79 HA VAL 79 10.454 -0.998 -4.139 582 HB VAL 79 HB VAL 79 9.868 -2.783 -2.638 583 HG11 VAL 79 1HG1 VAL 79 8.379 -3.332 -5.193 584 HG12 VAL 79 2HG1 VAL 79 7.776 -3.420 -3.537 585 HG13 VAL 79 3HG1 VAL 79 8.159 -1.855 -4.256 586 HG21 VAL 79 1HG2 VAL 79 10.974 -4.473 -4.792 587 HG22 VAL 79 2HG2 VAL 79 11.034 -4.682 -3.042 588 HG23 VAL 79 3HG2 VAL 79 9.574 -5.114 -3.932 589 H LYS 80 H LYS 80 12.228 -0.349 -3.135 590 HA LYS 80 HA LYS 80 14.729 -1.737 -3.481 591 HB2 LYS 80 1HB LYS 80 14.261 0.605 -1.648 592 HB3 LYS 80 2HB LYS 80 15.747 0.138 -2.464 593 HG2 LYS 80 1HG LYS 80 13.270 1.192 -3.815 594 HG3 LYS 80 2HG LYS 80 14.730 2.122 -3.465 595 HD2 LYS 80 1HD LYS 80 14.665 -0.357 -5.183 596 HD3 LYS 80 2HD LYS 80 14.585 1.290 -5.813 597 HE2 LYS 80 1HE LYS 80 16.759 1.705 -4.558 598 HE3 LYS 80 2HE LYS 80 16.850 -0.044 -4.352 599 HZ1 LYS 80 1HZ LYS 80 16.694 -0.227 -6.808 600 HZ2 LYS 80 2HZ LYS 80 18.099 0.546 -6.271 601 HZ3 LYS 80 3HZ LYS 80 16.825 1.456 -6.912 602 H HIS 81 H HIS 81 16.073 -2.499 -1.772 603 HA HIS 81 HA HIS 81 14.611 -3.922 0.248 604 HB2 HIS 81 1HB HIS 81 17.111 -4.466 0.941 605 HB3 HIS 81 2HB HIS 81 16.369 -5.216 -0.470 606 HD1 HIS 81 1HD HIS 81 17.055 -4.190 -2.824 607 HD2 HIS 81 2HD HIS 81 19.314 -2.913 0.420 608 HE1 HIS 81 1HE HIS 81 19.122 -3.153 -3.811 609 HE2 HIS 81 2HE HIS 81 20.513 -2.465 -1.827 610 H GLN 82 H GLN 82 16.137 -0.884 0.054 611 HA GLN 82 HA GLN 82 16.998 -0.554 2.717 612 HB2 GLN 82 1HB GLN 82 16.889 1.873 2.226 613 HB3 GLN 82 2HB GLN 82 17.739 0.961 0.985 614 HG2 GLN 82 1HG GLN 82 15.798 1.043 -0.453 615 HG3 GLN 82 2HG GLN 82 14.876 1.869 0.802 616 HE21 GLN 82 1HE2 GLN 82 14.486 3.760 -0.203 617 HE22 GLN 82 2HE2 GLN 82 15.712 4.864 -0.715 618 H ASP 83 H ASP 83 13.879 -0.693 1.344 619 HA ASP 83 HA ASP 83 12.674 0.626 3.675 620 HB2 ASP 83 1HB ASP 83 11.790 0.139 0.876 621 HB3 ASP 83 2HB ASP 83 10.548 0.141 2.125 622 H SER 84 H SER 84 13.783 -2.276 3.111 623 HA SER 84 HA SER 84 11.914 -4.218 3.226 624 HB2 SER 84 1HB SER 84 13.453 -5.550 4.561 625 HB3 SER 84 2HB SER 84 14.365 -4.598 3.390 626 HG SER 84 HG SER 84 14.455 -3.024 5.280 627 H GLY 85 H GLY 85 10.982 -5.451 5.041 628 HA2 GLY 85 1HA GLY 85 9.544 -5.540 6.829 629 HA3 GLY 85 2HA GLY 85 10.738 -4.547 7.652 630 H ALA 86 H ALA 86 8.916 -3.585 4.799 631 HA ALA 86 HA ALA 86 8.118 -1.133 5.985 632 HB1 ALA 86 1HB ALA 86 8.044 -2.333 3.389 633 HB2 ALA 86 2HB ALA 86 6.470 -1.628 3.760 634 HB3 ALA 86 3HB ALA 86 7.922 -0.630 3.834 635 H LEU 87 H LEU 87 5.798 -0.417 6.042 636 HA LEU 87 HA LEU 87 4.082 -2.574 7.083 637 HB2 LEU 87 1HB LEU 87 5.097 -0.686 8.636 638 HB3 LEU 87 2HB LEU 87 3.729 0.230 8.007 639 HG LEU 87 HG LEU 87 3.082 -0.690 10.102 640 HD11 LEU 87 1HD1 LEU 87 1.448 -0.786 8.211 641 HD12 LEU 87 2HD1 LEU 87 1.145 -1.940 9.508 642 HD13 LEU 87 3HD1 LEU 87 1.883 -2.482 8.001 643 HD21 LEU 87 1HD2 LEU 87 4.895 -2.548 9.871 644 HD22 LEU 87 2HD2 LEU 87 3.570 -3.491 9.187 645 HD23 LEU 87 3HD2 LEU 87 3.442 -2.848 10.825 646 H VAL 88 H VAL 88 2.852 -2.923 5.280 647 HA VAL 88 HA VAL 88 1.530 -0.633 4.022 648 HB VAL 88 HB VAL 88 1.532 -3.528 3.157 649 HG11 VAL 88 1HG1 VAL 88 -0.063 -1.319 2.370 650 HG12 VAL 88 2HG1 VAL 88 1.030 -1.704 1.040 651 HG13 VAL 88 3HG1 VAL 88 -0.034 -2.948 1.697 652 HG21 VAL 88 1HG2 VAL 88 3.372 -1.261 2.610 653 HG22 VAL 88 2HG2 VAL 88 3.714 -2.984 2.762 654 HG23 VAL 88 3HG2 VAL 88 2.991 -2.357 1.281 655 H GLY 89 H GLY 89 -0.252 -0.045 5.112 656 HA2 GLY 89 1HA GLY 89 -2.267 -2.136 5.611 657 HA3 GLY 89 2HA GLY 89 -1.869 -0.980 6.873 658 H PHE 90 H PHE 90 -4.428 -1.475 5.542 659 HA PHE 90 HA PHE 90 -4.837 1.144 4.257 660 HB2 PHE 90 1HB PHE 90 -5.493 -0.444 2.672 661 HB3 PHE 90 2HB PHE 90 -6.182 -1.515 3.887 662 HD1 PHE 90 2HD PHE 90 -6.699 1.621 2.020 663 HD2 PHE 90 1HD PHE 90 -8.439 -1.315 4.563 664 HE1 PHE 90 2HE PHE 90 -8.928 2.563 1.577 665 HE2 PHE 90 1HE PHE 90 -10.671 -0.379 4.123 666 HZ PHE 90 HZ PHE 90 -10.918 1.564 2.629 667 H SER 91 H SER 91 -5.504 2.540 5.764 668 HA SER 91 HA SER 91 -7.236 1.666 7.929 669 HB2 SER 91 1HB SER 91 -6.931 3.974 8.784 670 HB3 SER 91 2HB SER 91 -5.393 3.165 8.483 671 HG SER 91 HG SER 91 -5.200 4.326 6.567 672 H CYS 92 H CYS 92 -9.367 2.014 8.049 673 HA CYS 92 HA CYS 92 -10.628 4.050 6.401 674 HB2 CYS 92 1HB CYS 92 -11.881 2.680 5.062 675 HB3 CYS 92 2HB CYS 92 -10.463 1.655 5.250 676 HG CYS 92 HG CYS 92 -13.307 1.356 7.131 677 HA PRO 93 HA PRO 93 -13.342 4.451 9.823 678 HB2 PRO 93 1HB PRO 93 -15.649 5.209 8.611 679 HB3 PRO 93 2HB PRO 93 -14.245 6.272 8.753 680 HG2 PRO 93 1HG PRO 93 -15.144 4.623 6.422 681 HG3 PRO 93 2HG PRO 93 -14.532 6.287 6.446 682 HD2 PRO 93 1HD PRO 93 -12.985 4.177 5.749 683 HD3 PRO 93 2HD PRO 93 -12.332 5.611 6.567 684 H GLY 94 H GLY 94 -13.239 2.058 10.162 685 HA2 GLY 94 1HA GLY 94 -15.415 0.831 10.968 686 HA3 GLY 94 2HA GLY 94 -15.611 0.610 9.236 687 H VAL 95 H VAL 95 -12.511 0.508 9.197 688 HA VAL 95 HA VAL 95 -12.111 -2.149 10.352 689 HB VAL 95 HB VAL 95 -11.743 -1.503 7.427 690 HG11 VAL 95 1HG1 VAL 95 -10.645 -3.604 7.142 691 HG12 VAL 95 2HG1 VAL 95 -9.793 -2.725 8.413 692 HG13 VAL 95 3HG1 VAL 95 -10.901 -4.031 8.834 693 HG21 VAL 95 1HG2 VAL 95 -13.474 -2.906 6.998 694 HG22 VAL 95 2HG2 VAL 95 -13.124 -3.942 8.382 695 HG23 VAL 95 3HG2 VAL 95 -13.958 -2.406 8.619 696 H GLN 96 H GLN 96 -9.958 -2.675 10.765 697 HA GLN 96 HA GLN 96 -7.901 -0.728 10.063 698 HB2 GLN 96 1HB GLN 96 -8.611 0.142 12.165 699 HB3 GLN 96 2HB GLN 96 -8.671 -1.462 12.884 700 HG2 GLN 96 1HG GLN 96 -6.113 -1.469 12.300 701 HG3 GLN 96 2HG GLN 96 -6.330 0.281 12.322 702 HE21 GLN 96 1HE2 GLN 96 -7.642 1.035 14.297 703 HE22 GLN 96 2HE2 GLN 96 -7.152 0.365 15.812 704 H ASP 97 H ASP 97 -6.544 -2.023 8.991 705 HA ASP 97 HA ASP 97 -5.280 -4.197 10.431 706 HB2 ASP 97 1HB ASP 97 -7.372 -4.993 9.010 707 HB3 ASP 97 2HB ASP 97 -6.217 -4.896 7.684 708 H SER 98 H SER 98 -3.336 -4.978 9.358 709 HA SER 98 HA SER 98 -2.341 -3.508 7.080 710 HB2 SER 98 1HB SER 98 -0.328 -2.668 8.307 711 HB3 SER 98 2HB SER 98 -1.832 -1.896 8.810 712 HG SER 98 HG SER 98 -0.390 -3.933 10.153 713 H ALA 99 H ALA 99 -0.216 -4.283 6.379 714 HA ALA 99 HA ALA 99 0.358 -7.001 7.368 715 HB1 ALA 99 1HB ALA 99 0.586 -6.070 4.510 716 HB2 ALA 99 2HB ALA 99 0.856 -7.703 5.119 717 HB3 ALA 99 3HB ALA 99 -0.762 -7.003 5.161 718 H ALA 100 H ALA 100 2.616 -7.692 6.331 719 HA ALA 100 HA ALA 100 4.503 -5.496 6.891 720 HB1 ALA 100 1HB ALA 100 5.454 -8.248 7.316 721 HB2 ALA 100 2HB ALA 100 5.718 -6.791 8.275 722 HB3 ALA 100 3HB ALA 100 4.210 -7.691 8.435 723 H LEU 101 H LEU 101 5.959 -5.042 5.363 724 HA LEU 101 HA LEU 101 6.098 -6.812 3.028 725 HB2 LEU 101 1HB LEU 101 5.444 -4.561 2.515 726 HB3 LEU 101 2HB LEU 101 6.822 -3.912 3.400 727 HG LEU 101 HG LEU 101 8.246 -5.170 1.645 728 HD11 LEU 101 1HD1 LEU 101 7.285 -5.754 -0.376 729 HD12 LEU 101 2HD1 LEU 101 5.832 -4.800 -0.081 730 HD13 LEU 101 3HD1 LEU 101 6.085 -6.312 0.791 731 HD21 LEU 101 1HD2 LEU 101 8.473 -2.902 1.517 732 HD22 LEU 101 2HD2 LEU 101 6.738 -2.623 1.366 733 HD23 LEU 101 3HD2 LEU 101 7.663 -3.203 -0.020 734 H THR 102 H THR 102 7.981 -7.697 2.327 735 HA THR 102 HA THR 102 10.444 -7.033 3.791 736 HB THR 102 HB THR 102 9.480 -9.832 3.174 737 HG1 THR 102 1HG THR 102 10.027 -9.549 5.719 738 HG21 THR 102 1HG2 THR 102 11.586 -10.253 4.730 739 HG22 THR 102 2HG2 THR 102 12.113 -8.730 4.013 740 HG23 THR 102 3HG2 THR 102 11.743 -10.111 2.979 741 H ILE 103 H ILE 103 12.367 -7.268 2.638 742 HA ILE 103 HA ILE 103 12.196 -8.109 -0.156 743 HB ILE 103 HB ILE 103 13.331 -5.434 0.668 744 HG12 ILE 103 1HG1 ILE 103 11.023 -5.861 -1.208 745 HG13 ILE 103 2HG1 ILE 103 10.758 -5.783 0.530 746 HG21 ILE 103 1HG2 ILE 103 13.905 -7.101 -1.547 747 HG22 ILE 103 2HG2 ILE 103 12.990 -5.716 -2.140 748 HG23 ILE 103 3HG2 ILE 103 14.479 -5.464 -1.229 749 HD11 ILE 103 1HD1 ILE 103 10.384 -3.614 -0.168 750 HD12 ILE 103 2HD1 ILE 103 12.054 -3.562 0.396 751 HD13 ILE 103 3HD1 ILE 103 11.709 -3.651 -1.331 752 H GLN 104 H GLN 104 13.668 -9.678 -0.234 753 HA GLN 104 HA GLN 104 16.086 -9.527 1.367 754 HB2 GLN 104 1HB GLN 104 15.171 -11.684 -0.543 755 HB3 GLN 104 2HB GLN 104 16.501 -11.806 0.601 756 HG2 GLN 104 1HG GLN 104 13.749 -11.192 1.576 757 HG3 GLN 104 2HG GLN 104 14.199 -12.848 1.173 758 HE21 GLN 104 1HE2 GLN 104 13.525 -11.564 3.748 759 HE22 GLN 104 2HE2 GLN 104 14.861 -11.900 4.791 760 H GLU 105 H GLU 105 18.057 -9.008 0.636 761 HA GLU 105 HA GLU 105 18.430 -7.712 -1.804 762 HB2 GLU 105 1HB GLU 105 20.243 -8.791 0.301 763 HB3 GLU 105 2HB GLU 105 20.952 -8.343 -1.244 764 HG2 GLU 105 1HG GLU 105 19.143 -6.397 0.075 765 HG3 GLU 105 2HG GLU 105 20.754 -6.633 0.752 766 H SER 106 H SER 106 19.512 -8.303 -3.710 767 HA SER 106 HA SER 106 19.272 -11.148 -4.347 768 HB2 SER 106 1HB SER 106 18.144 -9.493 -5.815 769 HB3 SER 106 2HB SER 106 19.717 -8.798 -6.205 770 HG SER 106 HG SER 106 20.097 -11.247 -6.725 771 H SER 107 H SER 107 20.942 -12.330 -5.303 772 HA SER 107 HA SER 107 23.508 -11.910 -4.294 773 HB2 SER 107 1HB SER 107 22.758 -13.558 -6.720 774 HB3 SER 107 2HB SER 107 24.215 -13.738 -5.743 775 HG SER 107 HG SER 107 22.973 -15.164 -4.776 776 H GLY 108 H GLY 108 22.300 -11.416 -7.612 777 HA2 GLY 108 1HA GLY 108 24.751 -9.911 -8.220 778 HA3 GLY 108 2HA GLY 108 23.628 -10.563 -9.405 779 HA PRO 109 HA PRO 109 22.788 -6.046 -9.145 780 HB2 PRO 109 1HB PRO 109 22.364 -5.754 -11.811 781 HB3 PRO 109 2HB PRO 109 23.973 -5.695 -11.082 782 HG2 PRO 109 1HG PRO 109 22.610 -7.962 -12.482 783 HG3 PRO 109 2HG PRO 109 24.289 -7.408 -12.623 784 HD2 PRO 109 1HD PRO 109 23.582 -9.547 -11.121 785 HD3 PRO 109 2HD PRO 109 24.939 -8.486 -10.692 786 H SER 110 H SER 110 20.830 -4.895 -9.550 787 HA SER 110 HA SER 110 18.488 -6.432 -9.174 788 HB2 SER 110 1HB SER 110 18.818 -3.512 -9.904 789 HB3 SER 110 2HB SER 110 17.297 -4.256 -9.410 790 HG SER 110 HG SER 110 18.979 -4.940 -7.565 791 H SER 111 H SER 111 19.648 -4.540 -11.954 792 HA SER 111 HA SER 111 18.616 -6.359 -13.856 793 HB2 SER 111 1HB SER 111 16.840 -4.940 -14.829 794 HB3 SER 111 2HB SER 111 16.451 -5.437 -13.182 795 HG SER 111 HG SER 111 17.275 -2.913 -14.128 796 H GLY 112 H GLY 112 19.071 -5.726 -16.041 797 HA2 GLY 112 1HA GLY 112 20.189 -4.577 -17.702 798 HA3 GLY 112 2HA GLY 112 20.297 -3.200 -16.614 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -28.461 22.480 3.599 2 HA2 GLY 1 1HA GLY 1 -29.618 20.159 4.209 3 HA3 GLY 1 2HA GLY 1 -28.891 20.405 2.628 4 H SER 2 H SER 2 -26.198 20.402 3.289 5 HA SER 2 HA SER 2 -25.644 17.648 3.361 6 HB2 SER 2 1HB SER 2 -23.910 20.094 3.664 7 HB3 SER 2 2HB SER 2 -23.238 18.467 3.756 8 HG SER 2 HG SER 2 -23.251 18.476 1.667 9 H SER 3 H SER 3 -24.261 16.532 4.946 10 HA SER 3 HA SER 3 -24.312 17.537 7.666 11 HB2 SER 3 1HB SER 3 -26.030 15.279 6.714 12 HB3 SER 3 2HB SER 3 -25.340 15.202 8.335 13 HG SER 3 HG SER 3 -26.516 17.609 7.653 14 H GLY 4 H GLY 4 -23.366 15.759 9.179 15 HA2 GLY 4 1HA GLY 4 -20.764 15.294 8.652 16 HA3 GLY 4 2HA GLY 4 -21.716 14.201 9.645 17 H SER 5 H SER 5 -19.560 14.110 7.324 18 HA SER 5 HA SER 5 -20.709 12.557 5.269 19 HB2 SER 5 1HB SER 5 -18.387 13.774 5.411 20 HB3 SER 5 2HB SER 5 -17.835 12.229 6.058 21 HG SER 5 HG SER 5 -19.118 12.657 3.561 22 H SER 6 H SER 6 -21.277 10.484 5.185 23 HA SER 6 HA SER 6 -20.514 8.750 7.438 24 HB2 SER 6 1HB SER 6 -22.882 8.481 5.570 25 HB3 SER 6 2HB SER 6 -22.541 7.467 6.973 26 HG SER 6 HG SER 6 -23.463 8.917 8.164 27 H GLY 7 H GLY 7 -20.174 6.465 6.967 28 HA2 GLY 7 1HA GLY 7 -19.998 5.101 4.676 29 HA3 GLY 7 2HA GLY 7 -18.599 6.157 4.541 30 H THR 8 H THR 8 -19.765 3.229 5.728 31 HA THR 8 HA THR 8 -17.186 2.659 6.951 32 HB THR 8 HB THR 8 -18.120 1.739 8.995 33 HG1 THR 8 1HG THR 8 -20.628 2.849 8.686 34 HG21 THR 8 1HG2 THR 8 -18.447 3.733 10.129 35 HG22 THR 8 2HG2 THR 8 -19.371 4.451 8.810 36 HG23 THR 8 3HG2 THR 8 -17.623 4.276 8.668 37 H ALA 9 H ALA 9 -16.871 0.347 7.355 38 HA ALA 9 HA ALA 9 -18.757 -1.530 6.261 39 HB1 ALA 9 1HB ALA 9 -17.523 -0.482 4.275 40 HB2 ALA 9 2HB ALA 9 -16.121 -1.395 4.835 41 HB3 ALA 9 3HB ALA 9 -17.594 -2.242 4.365 42 H ARG 10 H ARG 10 -17.436 -3.760 5.979 43 HA ARG 10 HA ARG 10 -15.748 -4.031 8.380 44 HB2 ARG 10 1HB ARG 10 -17.907 -5.875 7.353 45 HB3 ARG 10 2HB ARG 10 -16.731 -6.352 8.571 46 HG2 ARG 10 1HG ARG 10 -17.543 -4.347 9.910 47 HG3 ARG 10 2HG ARG 10 -18.893 -4.285 8.776 48 HD2 ARG 10 1HD ARG 10 -19.212 -6.771 9.341 49 HD3 ARG 10 2HD ARG 10 -18.167 -6.447 10.724 50 HE ARG 10 HE ARG 10 -19.890 -5.308 11.723 51 HH11 ARG 10 2HH1 ARG 10 -20.644 -5.839 8.366 52 HH12 ARG 10 1HH1 ARG 10 -22.283 -5.297 8.514 53 HH21 ARG 10 2HH2 ARG 10 -22.045 -4.591 11.930 54 HH22 ARG 10 1HH2 ARG 10 -23.079 -4.587 10.541 55 H LEU 11 H LEU 11 -14.096 -5.601 8.311 56 HA LEU 11 HA LEU 11 -12.915 -5.929 5.723 57 HB2 LEU 11 1HB LEU 11 -11.638 -5.511 7.821 58 HB3 LEU 11 2HB LEU 11 -12.061 -7.138 8.348 59 HG LEU 11 HG LEU 11 -10.829 -8.037 6.388 60 HD11 LEU 11 1HD1 LEU 11 -11.006 -6.070 4.946 61 HD12 LEU 11 2HD1 LEU 11 -9.329 -6.573 5.155 62 HD13 LEU 11 3HD1 LEU 11 -9.945 -5.176 6.036 63 HD21 LEU 11 1HD2 LEU 11 -9.701 -8.017 8.484 64 HD22 LEU 11 2HD2 LEU 11 -9.345 -6.295 8.346 65 HD23 LEU 11 3HD2 LEU 11 -8.556 -7.448 7.269 66 H VAL 12 H VAL 12 -13.217 -7.547 4.352 67 HA VAL 12 HA VAL 12 -14.555 -9.977 5.302 68 HB VAL 12 HB VAL 12 -14.122 -9.010 2.472 69 HG11 VAL 12 1HG1 VAL 12 -15.120 -11.517 3.611 70 HG12 VAL 12 2HG1 VAL 12 -16.181 -10.795 2.400 71 HG13 VAL 12 3HG1 VAL 12 -14.505 -11.168 1.996 72 HG21 VAL 12 1HG2 VAL 12 -16.683 -9.044 4.058 73 HG22 VAL 12 2HG2 VAL 12 -15.655 -7.620 3.894 74 HG23 VAL 12 3HG2 VAL 12 -16.407 -8.334 2.467 75 H ALA 13 H ALA 13 -11.790 -8.954 3.320 76 HA ALA 13 HA ALA 13 -10.474 -11.495 3.988 77 HB1 ALA 13 1HB ALA 13 -10.179 -10.300 1.255 78 HB2 ALA 13 2HB ALA 13 -9.815 -11.939 1.799 79 HB3 ALA 13 3HB ALA 13 -11.492 -11.419 1.628 80 H GLY 14 H GLY 14 -9.276 -10.318 5.550 81 HA2 GLY 14 1HA GLY 14 -7.909 -7.974 5.315 82 HA3 GLY 14 2HA GLY 14 -7.289 -9.352 6.214 83 H LEU 15 H LEU 15 -5.474 -7.702 5.145 84 HA LEU 15 HA LEU 15 -4.688 -8.473 2.500 85 HB2 LEU 15 1HB LEU 15 -3.243 -6.968 4.673 86 HB3 LEU 15 2HB LEU 15 -2.603 -7.216 3.049 87 HG LEU 15 HG LEU 15 -5.251 -5.874 3.416 88 HD11 LEU 15 1HD1 LEU 15 -3.895 -4.622 4.913 89 HD12 LEU 15 2HD1 LEU 15 -3.997 -3.702 3.412 90 HD13 LEU 15 3HD1 LEU 15 -2.539 -4.620 3.785 91 HD21 LEU 15 1HD2 LEU 15 -4.843 -4.988 1.301 92 HD22 LEU 15 2HD2 LEU 15 -4.214 -6.632 1.187 93 HD23 LEU 15 3HD2 LEU 15 -3.107 -5.277 1.408 94 H GLU 16 H GLU 16 -2.440 -9.332 2.096 95 HA GLU 16 HA GLU 16 -1.785 -11.442 4.046 96 HB2 GLU 16 1HB GLU 16 -1.619 -11.647 1.035 97 HB3 GLU 16 2HB GLU 16 -1.200 -12.911 2.183 98 HG2 GLU 16 1HG GLU 16 -3.304 -13.535 1.481 99 HG3 GLU 16 2HG GLU 16 -3.637 -12.680 2.986 100 H ASP 17 H ASP 17 0.362 -11.865 4.432 101 HA ASP 17 HA ASP 17 2.191 -9.757 4.088 102 HB2 ASP 17 1HB ASP 17 3.883 -11.407 4.934 103 HB3 ASP 17 2HB ASP 17 2.452 -11.250 5.950 104 H VAL 18 H VAL 18 3.964 -9.500 2.753 105 HA VAL 18 HA VAL 18 4.412 -11.457 0.631 106 HB VAL 18 HB VAL 18 3.846 -8.544 0.058 107 HG11 VAL 18 1HG1 VAL 18 5.600 -9.469 -1.376 108 HG12 VAL 18 2HG1 VAL 18 4.532 -10.801 -1.823 109 HG13 VAL 18 3HG1 VAL 18 4.125 -9.149 -2.287 110 HG21 VAL 18 1HG2 VAL 18 2.209 -11.005 -0.083 111 HG22 VAL 18 2HG2 VAL 18 1.726 -9.335 0.216 112 HG23 VAL 18 3HG2 VAL 18 2.064 -9.873 -1.429 113 H GLN 19 H GLN 19 6.462 -11.342 -0.326 114 HA GLN 19 HA GLN 19 8.325 -9.329 0.674 115 HB2 GLN 19 1HB GLN 19 9.852 -10.828 1.605 116 HB3 GLN 19 2HB GLN 19 8.298 -11.441 2.156 117 HG2 GLN 19 1HG GLN 19 8.365 -13.028 0.199 118 HG3 GLN 19 2HG GLN 19 10.038 -12.525 -0.038 119 HE21 GLN 19 1HE2 GLN 19 11.490 -13.772 0.878 120 HE22 GLN 19 2HE2 GLN 19 11.256 -14.760 2.276 121 H VAL 20 H VAL 20 9.605 -8.619 -0.901 122 HA VAL 20 HA VAL 20 10.240 -10.399 -3.146 123 HB VAL 20 HB VAL 20 9.891 -8.536 -4.742 124 HG11 VAL 20 1HG1 VAL 20 7.303 -8.531 -4.460 125 HG12 VAL 20 2HG1 VAL 20 8.143 -10.045 -4.802 126 HG13 VAL 20 3HG1 VAL 20 7.628 -9.673 -3.157 127 HG21 VAL 20 1HG2 VAL 20 8.652 -7.169 -2.356 128 HG22 VAL 20 2HG2 VAL 20 10.090 -6.654 -3.238 129 HG23 VAL 20 3HG2 VAL 20 8.512 -6.614 -4.024 130 H TYR 21 H TYR 21 12.078 -9.661 -4.432 131 HA TYR 21 HA TYR 21 14.152 -8.607 -2.734 132 HB2 TYR 21 1HB TYR 21 14.095 -9.694 -5.540 133 HB3 TYR 21 2HB TYR 21 15.542 -8.944 -4.876 134 HD1 TYR 21 1HD TYR 21 13.001 -11.387 -3.611 135 HD2 TYR 21 2HD TYR 21 17.116 -10.483 -4.211 136 HE1 TYR 21 1HE TYR 21 13.618 -13.524 -2.560 137 HE2 TYR 21 2HE TYR 21 17.743 -12.618 -3.163 138 HH TYR 21 HH TYR 21 15.274 -14.854 -1.926 139 H ASP 22 H ASP 22 15.642 -6.903 -3.510 140 HA ASP 22 HA ASP 22 14.399 -4.471 -3.855 141 HB2 ASP 22 1HB ASP 22 16.628 -4.401 -3.115 142 HB3 ASP 22 2HB ASP 22 17.198 -5.394 -4.454 143 H GLY 23 H GLY 23 14.004 -3.097 -5.589 144 HA2 GLY 23 1HA GLY 23 13.729 -2.469 -7.805 145 HA3 GLY 23 2HA GLY 23 14.596 -3.918 -8.291 146 H GLU 24 H GLU 24 12.950 -5.803 -6.937 147 HA GLU 24 HA GLU 24 11.057 -6.374 -8.873 148 HB2 GLU 24 1HB GLU 24 10.990 -7.197 -5.964 149 HB3 GLU 24 2HB GLU 24 10.108 -7.973 -7.272 150 HG2 GLU 24 1HG GLU 24 13.101 -7.840 -6.982 151 HG3 GLU 24 2HG GLU 24 12.082 -9.246 -6.678 152 H ASP 25 H ASP 25 8.631 -6.693 -8.292 153 HA ASP 25 HA ASP 25 7.636 -4.140 -7.208 154 HB2 ASP 25 1HB ASP 25 5.576 -4.877 -8.722 155 HB3 ASP 25 2HB ASP 25 6.944 -3.988 -9.387 156 H ALA 26 H ALA 26 6.169 -4.182 -5.608 157 HA ALA 26 HA ALA 26 5.367 -6.807 -4.588 158 HB1 ALA 26 1HB ALA 26 4.930 -5.714 -2.496 159 HB2 ALA 26 2HB ALA 26 6.517 -5.208 -3.076 160 HB3 ALA 26 3HB ALA 26 5.134 -4.125 -3.234 161 H VAL 27 H VAL 27 3.256 -7.404 -4.282 162 HA VAL 27 HA VAL 27 1.204 -5.565 -5.333 163 HB VAL 27 HB VAL 27 1.297 -8.568 -5.651 164 HG11 VAL 27 1HG1 VAL 27 -0.826 -6.541 -6.126 165 HG12 VAL 27 2HG1 VAL 27 -0.678 -7.884 -7.262 166 HG13 VAL 27 3HG1 VAL 27 -0.957 -8.202 -5.549 167 HG21 VAL 27 1HG2 VAL 27 1.658 -8.187 -7.974 168 HG22 VAL 27 2HG2 VAL 27 1.422 -6.449 -7.788 169 HG23 VAL 27 3HG2 VAL 27 2.848 -7.224 -7.097 170 H PHE 28 H PHE 28 -0.588 -5.275 -4.131 171 HA PHE 28 HA PHE 28 -1.177 -7.129 -1.951 172 HB2 PHE 28 1HB PHE 28 -0.806 -4.150 -1.566 173 HB3 PHE 28 2HB PHE 28 -1.445 -5.253 -0.351 174 HD1 PHE 28 1HD PHE 28 0.015 -6.946 0.675 175 HD2 PHE 28 2HD PHE 28 1.525 -4.010 -2.012 176 HE1 PHE 28 1HE PHE 28 2.301 -7.410 1.458 177 HE2 PHE 28 2HE PHE 28 3.813 -4.470 -1.235 178 HZ PHE 28 HZ PHE 28 4.204 -6.173 0.502 179 H SER 29 H SER 29 -3.333 -7.080 -1.234 180 HA SER 29 HA SER 29 -5.253 -5.214 -2.156 181 HB2 SER 29 1HB SER 29 -4.929 -6.275 -4.315 182 HB3 SER 29 2HB SER 29 -5.151 -7.873 -3.601 183 HG SER 29 HG SER 29 -7.277 -6.561 -2.922 184 H LEU 30 H LEU 30 -7.319 -5.583 -1.287 185 HA LEU 30 HA LEU 30 -7.627 -7.953 0.411 186 HB2 LEU 30 1HB LEU 30 -8.409 -6.615 2.269 187 HB3 LEU 30 2HB LEU 30 -6.768 -6.154 1.823 188 HG LEU 30 HG LEU 30 -8.088 -4.303 0.435 189 HD11 LEU 30 1HD1 LEU 30 -10.003 -5.308 2.464 190 HD12 LEU 30 2HD1 LEU 30 -10.298 -4.615 0.870 191 HD13 LEU 30 3HD1 LEU 30 -9.895 -3.564 2.228 192 HD21 LEU 30 1HD2 LEU 30 -6.431 -3.630 1.933 193 HD22 LEU 30 2HD2 LEU 30 -7.267 -4.330 3.320 194 HD23 LEU 30 3HD2 LEU 30 -7.896 -2.870 2.555 195 H ASP 31 H ASP 31 -9.951 -7.915 1.389 196 HA ASP 31 HA ASP 31 -11.833 -6.985 -0.677 197 HB2 ASP 31 1HB ASP 31 -12.010 -9.600 0.833 198 HB3 ASP 31 2HB ASP 31 -13.120 -9.033 -0.412 199 H LEU 32 H LEU 32 -13.815 -6.230 0.016 200 HA LEU 32 HA LEU 32 -14.211 -6.072 2.929 201 HB2 LEU 32 1HB LEU 32 -14.808 -3.875 0.955 202 HB3 LEU 32 2HB LEU 32 -15.013 -3.806 2.704 203 HG LEU 32 HG LEU 32 -12.379 -4.003 1.243 204 HD11 LEU 32 1HD1 LEU 32 -12.543 -1.670 2.784 205 HD12 LEU 32 2HD1 LEU 32 -14.061 -1.772 1.891 206 HD13 LEU 32 3HD1 LEU 32 -12.525 -1.803 1.025 207 HD21 LEU 32 1HD2 LEU 32 -11.701 -3.277 3.706 208 HD22 LEU 32 2HD2 LEU 32 -11.835 -4.969 3.229 209 HD23 LEU 32 3HD2 LEU 32 -13.157 -4.190 4.099 210 H SER 33 H SER 33 -16.475 -5.584 3.544 211 HA SER 33 HA SER 33 -18.262 -7.303 2.102 212 HB2 SER 33 1HB SER 33 -18.111 -6.897 4.669 213 HB3 SER 33 2HB SER 33 -19.127 -5.493 4.340 214 HG SER 33 HG SER 33 -19.851 -8.048 4.558 215 H THR 34 H THR 34 -17.635 -3.910 2.223 216 HA THR 34 HA THR 34 -19.648 -3.466 0.164 217 HB THR 34 HB THR 34 -20.624 -2.937 2.494 218 HG1 THR 34 1HG THR 34 -21.386 -2.159 0.368 219 HG21 THR 34 1HG2 THR 34 -19.581 -0.233 2.396 220 HG22 THR 34 2HG2 THR 34 -18.307 -1.417 2.692 221 HG23 THR 34 3HG2 THR 34 -19.708 -1.341 3.761 222 H ILE 35 H ILE 35 -19.506 -0.969 -0.446 223 HA ILE 35 HA ILE 35 -16.749 -0.553 -1.207 224 HB ILE 35 HB ILE 35 -19.015 1.334 -1.798 225 HG12 ILE 35 1HG1 ILE 35 -18.271 -1.018 -3.532 226 HG13 ILE 35 2HG1 ILE 35 -19.560 -1.109 -2.338 227 HG21 ILE 35 1HG2 ILE 35 -16.729 0.624 -3.595 228 HG22 ILE 35 2HG2 ILE 35 -17.709 2.089 -3.561 229 HG23 ILE 35 3HG2 ILE 35 -16.521 1.794 -2.292 230 HD11 ILE 35 1HD1 ILE 35 -20.128 1.187 -3.771 231 HD12 ILE 35 2HD1 ILE 35 -19.570 0.035 -4.985 232 HD13 ILE 35 3HD1 ILE 35 -20.918 -0.381 -3.927 233 H ILE 36 H ILE 36 -15.452 1.173 -0.649 234 HA ILE 36 HA ILE 36 -16.309 3.377 0.907 235 HB ILE 36 HB ILE 36 -16.413 1.523 2.616 236 HG12 ILE 36 1HG1 ILE 36 -14.357 3.635 3.269 237 HG13 ILE 36 2HG1 ILE 36 -16.072 3.994 3.099 238 HG21 ILE 36 1HG2 ILE 36 -14.591 0.147 2.068 239 HG22 ILE 36 2HG2 ILE 36 -13.464 1.502 2.057 240 HG23 ILE 36 3HG2 ILE 36 -14.135 0.925 3.583 241 HD11 ILE 36 1HD1 ILE 36 -16.433 3.380 5.188 242 HD12 ILE 36 2HD1 ILE 36 -15.742 1.787 4.877 243 HD13 ILE 36 3HD1 ILE 36 -14.700 3.116 5.383 244 H GLN 37 H GLN 37 -14.584 4.837 1.423 245 HA GLN 37 HA GLN 37 -12.115 4.267 -0.080 246 HB2 GLN 37 1HB GLN 37 -13.284 6.017 -1.193 247 HB3 GLN 37 2HB GLN 37 -13.620 6.848 0.320 248 HG2 GLN 37 1HG GLN 37 -10.786 6.428 -0.464 249 HG3 GLN 37 2HG GLN 37 -11.724 7.658 -1.310 250 HE21 GLN 37 1HE2 GLN 37 -9.439 7.930 0.496 251 HE22 GLN 37 2HE2 GLN 37 -9.965 8.966 1.774 252 H GLY 38 H GLY 38 -10.487 3.849 1.259 253 HA2 GLY 38 1HA GLY 38 -10.368 5.321 3.815 254 HA3 GLY 38 2HA GLY 38 -9.680 3.726 3.552 255 H THR 39 H THR 39 -7.625 4.340 4.225 256 HA THR 39 HA THR 39 -6.136 5.898 2.236 257 HB THR 39 HB THR 39 -5.972 6.321 5.225 258 HG1 THR 39 1HG THR 39 -6.369 8.325 3.279 259 HG21 THR 39 1HG2 THR 39 -3.898 7.108 4.998 260 HG22 THR 39 2HG2 THR 39 -4.387 8.139 3.653 261 HG23 THR 39 3HG2 THR 39 -3.889 6.474 3.353 262 H TRP 40 H TRP 40 -4.193 5.056 1.718 263 HA TRP 40 HA TRP 40 -3.444 2.547 2.999 264 HB2 TRP 40 1HB TRP 40 -2.705 3.892 0.418 265 HB3 TRP 40 2HB TRP 40 -1.710 2.586 1.056 266 HD1 TRP 40 HD TRP 40 -5.055 3.260 -0.611 267 HE1 TRP 40 1HE TRP 40 -6.139 1.017 -1.256 268 HE3 TRP 40 3HE TRP 40 -1.847 0.088 1.793 269 HZ2 TRP 40 2HZ TRP 40 -5.694 -1.734 -0.805 270 HZ3 TRP 40 3HZ TRP 40 -2.247 -2.335 1.637 271 HH2 TRP 40 HH TRP 40 -4.131 -3.225 0.365 272 H PHE 41 H PHE 41 -1.665 2.253 4.217 273 HA PHE 41 HA PHE 41 0.110 4.575 4.593 274 HB2 PHE 41 1HB PHE 41 -1.015 2.591 6.535 275 HB3 PHE 41 2HB PHE 41 0.533 3.357 6.878 276 HD1 PHE 41 2HD PHE 41 -3.032 4.054 6.172 277 HD2 PHE 41 1HD PHE 41 0.640 5.529 7.739 278 HE1 PHE 41 2HE PHE 41 -4.209 6.020 7.068 279 HE2 PHE 41 1HE PHE 41 -0.531 7.497 8.639 280 HZ PHE 41 HZ PHE 41 -2.959 7.745 8.303 281 H LEU 42 H LEU 42 2.337 4.065 5.217 282 HA LEU 42 HA LEU 42 3.275 1.403 4.474 283 HB2 LEU 42 1HB LEU 42 3.252 2.958 2.458 284 HB3 LEU 42 2HB LEU 42 4.534 3.853 3.272 285 HG LEU 42 HG LEU 42 5.822 1.646 3.299 286 HD11 LEU 42 1HD1 LEU 42 3.451 0.618 2.378 287 HD12 LEU 42 2HD1 LEU 42 5.024 -0.176 2.288 288 HD13 LEU 42 3HD1 LEU 42 4.420 0.743 0.909 289 HD21 LEU 42 1HD2 LEU 42 5.446 2.443 0.479 290 HD22 LEU 42 2HD2 LEU 42 6.920 2.322 1.440 291 HD23 LEU 42 3HD2 LEU 42 5.867 3.727 1.613 292 H ASN 43 H ASN 43 4.570 0.742 6.044 293 HA ASN 43 HA ASN 43 5.918 0.778 7.889 294 HB2 ASN 43 1HB ASN 43 8.055 1.970 7.556 295 HB3 ASN 43 2HB ASN 43 7.583 1.055 6.127 296 HD21 ASN 43 1HD2 ASN 43 7.794 2.077 4.282 297 HD22 ASN 43 2HD2 ASN 43 7.764 3.790 4.053 298 H GLY 44 H GLY 44 3.711 2.238 8.426 299 HA2 GLY 44 1HA GLY 44 3.063 3.626 10.175 300 HA3 GLY 44 2HA GLY 44 4.731 4.152 10.339 301 H GLU 45 H GLU 45 4.971 4.867 7.510 302 HA GLU 45 HA GLU 45 4.055 7.556 7.710 303 HB2 GLU 45 1HB GLU 45 5.516 5.950 5.659 304 HB3 GLU 45 2HB GLU 45 4.811 7.487 5.178 305 HG2 GLU 45 1HG GLU 45 6.238 8.712 6.480 306 HG3 GLU 45 2HG GLU 45 6.499 7.396 7.623 307 H GLU 46 H GLU 46 2.736 8.640 6.048 308 HA GLU 46 HA GLU 46 0.454 6.945 5.296 309 HB2 GLU 46 1HB GLU 46 0.135 8.926 6.869 310 HB3 GLU 46 2HB GLU 46 0.457 9.954 5.479 311 HG2 GLU 46 1HG GLU 46 -1.475 9.199 4.351 312 HG3 GLU 46 2HG GLU 46 -1.711 7.878 5.494 313 H LEU 47 H LEU 47 -0.490 7.141 3.244 314 HA LEU 47 HA LEU 47 1.328 8.222 1.202 315 HB2 LEU 47 1HB LEU 47 -0.817 6.114 0.991 316 HB3 LEU 47 2HB LEU 47 0.163 6.695 -0.353 317 HG LEU 47 HG LEU 47 1.380 5.398 2.072 318 HD11 LEU 47 1HD1 LEU 47 0.203 3.577 1.429 319 HD12 LEU 47 2HD1 LEU 47 1.505 3.450 0.248 320 HD13 LEU 47 3HD1 LEU 47 -0.037 4.170 -0.214 321 HD21 LEU 47 1HD2 LEU 47 2.988 6.569 0.803 322 HD22 LEU 47 2HD2 LEU 47 2.305 6.010 -0.724 323 HD23 LEU 47 3HD2 LEU 47 3.147 4.877 0.333 324 H LYS 48 H LYS 48 0.677 9.773 -0.173 325 HA LYS 48 HA LYS 48 -2.089 10.740 0.104 326 HB2 LYS 48 1HB LYS 48 0.424 12.200 -0.728 327 HB3 LYS 48 2HB LYS 48 -1.186 12.908 -0.749 328 HG2 LYS 48 1HG LYS 48 -0.223 11.707 1.790 329 HG3 LYS 48 2HG LYS 48 0.461 13.252 1.280 330 HD2 LYS 48 1HD LYS 48 -1.866 14.121 1.043 331 HD3 LYS 48 2HD LYS 48 -2.450 12.609 1.741 332 HE2 LYS 48 1HE LYS 48 -0.535 14.510 3.088 333 HE3 LYS 48 2HE LYS 48 -2.270 14.443 3.393 334 HZ1 LYS 48 1HZ LYS 48 -0.178 12.524 4.135 335 HZ2 LYS 48 2HZ LYS 48 -1.745 11.950 3.859 336 HZ3 LYS 48 3HZ LYS 48 -1.470 13.115 5.054 337 H SER 49 H SER 49 -3.207 9.711 -1.471 338 HA SER 49 HA SER 49 -2.403 8.810 -3.912 339 HB2 SER 49 1HB SER 49 -4.740 9.040 -4.657 340 HB3 SER 49 2HB SER 49 -4.653 8.419 -3.009 341 HG SER 49 HG SER 49 -4.763 11.152 -3.144 342 H ASN 50 H ASN 50 -1.611 9.692 -5.700 343 HA ASN 50 HA ASN 50 -0.952 11.224 -7.245 344 HB2 ASN 50 1HB ASN 50 -3.468 12.724 -6.497 345 HB3 ASN 50 2HB ASN 50 -2.592 12.804 -8.022 346 HD21 ASN 50 1HD2 ASN 50 -3.696 11.857 -9.563 347 HD22 ASN 50 2HD2 ASN 50 -4.587 10.383 -9.424 348 H GLU 51 H GLU 51 0.046 11.527 -4.596 349 HA GLU 51 HA GLU 51 1.040 14.212 -4.789 350 HB2 GLU 51 1HB GLU 51 -0.995 13.483 -2.746 351 HB3 GLU 51 2HB GLU 51 0.349 14.490 -2.225 352 HG2 GLU 51 1HG GLU 51 -0.223 15.994 -4.192 353 HG3 GLU 51 2HG GLU 51 -1.729 15.085 -4.303 354 HA PRO 52 HA PRO 52 4.486 12.041 -3.084 355 HB2 PRO 52 1HB PRO 52 6.071 14.192 -2.602 356 HB3 PRO 52 2HB PRO 52 5.792 13.548 -4.225 357 HG2 PRO 52 1HG PRO 52 4.507 15.887 -2.868 358 HG3 PRO 52 2HG PRO 52 5.096 15.745 -4.535 359 HD2 PRO 52 1HD PRO 52 2.475 15.520 -3.891 360 HD3 PRO 52 2HD PRO 52 3.208 14.627 -5.240 361 H GLU 53 H GLU 53 5.994 12.304 -1.120 362 HA GLU 53 HA GLU 53 4.461 13.298 1.190 363 HB2 GLU 53 1HB GLU 53 4.408 10.795 0.952 364 HB3 GLU 53 2HB GLU 53 6.151 10.795 1.176 365 HG2 GLU 53 1HG GLU 53 5.766 11.938 3.377 366 HG3 GLU 53 2HG GLU 53 4.046 11.627 3.151 367 H GLY 54 H GLY 54 5.546 15.003 1.939 368 HA2 GLY 54 1HA GLY 54 7.285 15.996 3.152 369 HA3 GLY 54 2HA GLY 54 8.332 14.658 2.704 370 H GLN 55 H GLN 55 9.860 16.486 2.376 371 HA GLN 55 HA GLN 55 9.413 18.084 -0.008 372 HB2 GLN 55 1HB GLN 55 11.649 19.055 0.563 373 HB3 GLN 55 2HB GLN 55 10.437 19.234 1.824 374 HG2 GLN 55 1HG GLN 55 12.232 16.874 1.939 375 HG3 GLN 55 2HG GLN 55 12.901 18.453 2.348 376 HE21 GLN 55 1HE2 GLN 55 11.436 15.778 3.571 377 HE22 GLN 55 2HE2 GLN 55 10.802 16.439 5.035 378 H VAL 56 H VAL 56 9.310 15.889 -1.175 379 HA VAL 56 HA VAL 56 11.980 15.367 -2.283 380 HB VAL 56 HB VAL 56 11.486 12.970 -2.456 381 HG11 VAL 56 1HG1 VAL 56 12.710 13.917 -0.502 382 HG12 VAL 56 2HG1 VAL 56 11.189 13.912 0.392 383 HG13 VAL 56 3HG1 VAL 56 11.890 12.393 -0.167 384 HG21 VAL 56 1HG2 VAL 56 9.273 13.072 -0.517 385 HG22 VAL 56 2HG2 VAL 56 8.886 13.640 -2.141 386 HG23 VAL 56 3HG2 VAL 56 9.521 12.012 -1.905 387 H GLU 57 H GLU 57 11.640 13.851 -4.321 388 HA GLU 57 HA GLU 57 10.365 15.359 -6.271 389 HB2 GLU 57 1HB GLU 57 10.907 12.391 -6.422 390 HB3 GLU 57 2HB GLU 57 10.738 13.503 -7.773 391 HG2 GLU 57 1HG GLU 57 12.891 13.829 -5.713 392 HG3 GLU 57 2HG GLU 57 13.088 12.785 -7.120 393 HA PRO 58 HA PRO 58 6.096 14.353 -6.094 394 HB2 PRO 58 1HB PRO 58 5.422 14.473 -8.721 395 HB3 PRO 58 2HB PRO 58 5.786 15.909 -7.757 396 HG2 PRO 58 1HG PRO 58 7.542 14.413 -9.664 397 HG3 PRO 58 2HG PRO 58 7.341 16.164 -9.466 398 HD2 PRO 58 1HD PRO 58 9.440 14.811 -8.419 399 HD3 PRO 58 2HD PRO 58 8.743 16.245 -7.639 400 H GLY 59 H GLY 59 8.278 12.405 -7.945 401 HA2 GLY 59 1HA GLY 59 6.345 10.179 -7.797 402 HA3 GLY 59 2HA GLY 59 7.311 10.449 -9.240 403 H ALA 60 H ALA 60 8.144 10.532 -5.781 404 HA ALA 60 HA ALA 60 10.645 9.302 -6.128 405 HB1 ALA 60 1HB ALA 60 8.893 9.717 -3.726 406 HB2 ALA 60 2HB ALA 60 10.449 8.892 -3.614 407 HB3 ALA 60 3HB ALA 60 10.375 10.563 -4.173 408 H LEU 61 H LEU 61 7.603 7.944 -4.852 409 HA LEU 61 HA LEU 61 8.669 5.259 -5.427 410 HB2 LEU 61 1HB LEU 61 8.221 5.601 -3.075 411 HB3 LEU 61 2HB LEU 61 6.582 6.137 -3.437 412 HG LEU 61 HG LEU 61 6.271 3.765 -4.418 413 HD11 LEU 61 1HD1 LEU 61 7.997 2.522 -2.549 414 HD12 LEU 61 2HD1 LEU 61 8.968 3.610 -3.539 415 HD13 LEU 61 3HD1 LEU 61 7.982 2.365 -4.306 416 HD21 LEU 61 1HD2 LEU 61 4.959 3.983 -2.604 417 HD22 LEU 61 2HD2 LEU 61 6.233 4.729 -1.640 418 HD23 LEU 61 3HD2 LEU 61 6.184 2.976 -1.833 419 H ARG 62 H ARG 62 7.591 3.940 -6.784 420 HA ARG 62 HA ARG 62 5.273 5.054 -8.165 421 HB2 ARG 62 1HB ARG 62 7.219 2.850 -8.783 422 HB3 ARG 62 2HB ARG 62 5.694 2.971 -9.651 423 HG2 ARG 62 1HG ARG 62 7.211 4.087 -11.013 424 HG3 ARG 62 2HG ARG 62 6.386 5.385 -10.148 425 HD2 ARG 62 1HD ARG 62 8.560 6.050 -9.895 426 HD3 ARG 62 2HD ARG 62 8.367 5.061 -8.448 427 HE ARG 62 HE ARG 62 9.883 3.577 -9.304 428 HH11 ARG 62 2HH1 ARG 62 8.770 5.667 -11.856 429 HH12 ARG 62 1HH1 ARG 62 9.917 5.082 -13.014 430 HH21 ARG 62 2HH2 ARG 62 11.399 2.798 -10.820 431 HH22 ARG 62 1HH2 ARG 62 11.412 3.449 -12.424 432 H TYR 63 H TYR 63 3.331 4.557 -7.403 433 HA TYR 63 HA TYR 63 2.817 1.788 -6.566 434 HB2 TYR 63 1HB TYR 63 1.269 2.753 -4.798 435 HB3 TYR 63 2HB TYR 63 2.993 2.929 -4.492 436 HD1 TYR 63 1HD TYR 63 4.070 5.181 -5.156 437 HD2 TYR 63 2HD TYR 63 -0.126 4.619 -4.729 438 HE1 TYR 63 1HE TYR 63 3.778 7.608 -4.887 439 HE2 TYR 63 2HE TYR 63 -0.429 7.045 -4.460 440 HH TYR 63 HH TYR 63 2.309 9.280 -4.727 441 H ARG 64 H ARG 64 0.529 1.193 -6.633 442 HA ARG 64 HA ARG 64 -1.116 2.887 -8.370 443 HB2 ARG 64 1HB ARG 64 0.095 1.183 -9.753 444 HB3 ARG 64 2HB ARG 64 -0.730 -0.072 -8.839 445 HG2 ARG 64 1HG ARG 64 -2.734 0.310 -9.850 446 HG3 ARG 64 2HG ARG 64 -2.390 2.018 -10.134 447 HD2 ARG 64 1HD ARG 64 -0.768 -0.036 -11.557 448 HD3 ARG 64 2HD ARG 64 -2.411 0.283 -12.112 449 HE ARG 64 HE ARG 64 -0.123 2.023 -12.350 450 HH11 ARG 64 2HH1 ARG 64 -3.597 1.795 -12.358 451 HH12 ARG 64 1HH1 ARG 64 -3.820 3.250 -13.272 452 HH21 ARG 64 2HH2 ARG 64 -0.404 3.941 -13.553 453 HH22 ARG 64 1HH2 ARG 64 -2.004 4.469 -13.951 454 H ILE 65 H ILE 65 -2.829 3.307 -7.135 455 HA ILE 65 HA ILE 65 -3.938 1.161 -5.462 456 HB ILE 65 HB ILE 65 -4.402 4.143 -5.341 457 HG12 ILE 65 1HG1 ILE 65 -3.187 2.532 -3.137 458 HG13 ILE 65 2HG1 ILE 65 -2.184 2.948 -4.522 459 HG21 ILE 65 1HG2 ILE 65 -5.340 2.133 -3.321 460 HG22 ILE 65 2HG2 ILE 65 -5.838 3.812 -3.524 461 HG23 ILE 65 3HG2 ILE 65 -6.336 2.596 -4.700 462 HD11 ILE 65 1HD1 ILE 65 -3.388 4.713 -2.453 463 HD12 ILE 65 2HD1 ILE 65 -1.748 4.687 -3.103 464 HD13 ILE 65 3HD1 ILE 65 -3.067 5.359 -4.062 465 H GLU 66 H GLU 66 -5.593 0.090 -6.299 466 HA GLU 66 HA GLU 66 -7.466 1.541 -8.053 467 HB2 GLU 66 1HB GLU 66 -6.714 -1.387 -8.079 468 HB3 GLU 66 2HB GLU 66 -7.965 -0.666 -9.081 469 HG2 GLU 66 1HG GLU 66 -5.219 0.467 -9.192 470 HG3 GLU 66 2HG GLU 66 -5.544 -1.065 -10.000 471 H GLN 67 H GLN 67 -9.574 1.556 -7.532 472 HA GLN 67 HA GLN 67 -10.467 -0.200 -5.344 473 HB2 GLN 67 1HB GLN 67 -10.096 2.197 -4.649 474 HB3 GLN 67 2HB GLN 67 -11.391 2.644 -5.751 475 HG2 GLN 67 1HG GLN 67 -12.794 0.929 -4.427 476 HG3 GLN 67 2HG GLN 67 -11.534 1.090 -3.204 477 HE21 GLN 67 1HE2 GLN 67 -14.445 2.249 -4.243 478 HE22 GLN 67 2HE2 GLN 67 -14.446 3.776 -3.434 479 H LYS 68 H LYS 68 -11.673 -1.654 -6.424 480 HA LYS 68 HA LYS 68 -13.840 -0.607 -8.126 481 HB2 LYS 68 1HB LYS 68 -11.846 -2.094 -9.101 482 HB3 LYS 68 2HB LYS 68 -12.874 -3.395 -8.515 483 HG2 LYS 68 1HG LYS 68 -14.530 -2.961 -10.034 484 HG3 LYS 68 2HG LYS 68 -14.091 -1.258 -10.189 485 HD2 LYS 68 1HD LYS 68 -13.451 -2.268 -12.223 486 HD3 LYS 68 2HD LYS 68 -11.957 -2.059 -11.306 487 HE2 LYS 68 1HE LYS 68 -11.765 -4.226 -12.104 488 HE3 LYS 68 2HE LYS 68 -12.409 -4.469 -10.481 489 HZ1 LYS 68 1HZ LYS 68 -13.854 -4.633 -13.059 490 HZ2 LYS 68 2HZ LYS 68 -14.664 -4.505 -11.580 491 HZ3 LYS 68 3HZ LYS 68 -13.669 -5.838 -11.886 492 H GLY 69 H GLY 69 -15.153 -0.516 -6.206 493 HA2 GLY 69 1HA GLY 69 -16.706 -1.345 -4.731 494 HA3 GLY 69 2HA GLY 69 -16.892 -2.651 -5.892 495 H LEU 70 H LEU 70 -15.919 -1.825 -2.777 496 HA LEU 70 HA LEU 70 -14.652 -2.894 -1.167 497 HB2 LEU 70 1HB LEU 70 -15.522 -5.419 -1.148 498 HB3 LEU 70 2HB LEU 70 -16.486 -4.060 -0.573 499 HG LEU 70 HG LEU 70 -16.745 -4.894 -3.423 500 HD11 LEU 70 1HD1 LEU 70 -17.688 -6.439 -1.047 501 HD12 LEU 70 2HD1 LEU 70 -17.013 -7.020 -2.569 502 HD13 LEU 70 3HD1 LEU 70 -18.660 -6.393 -2.518 503 HD21 LEU 70 1HD2 LEU 70 -18.969 -4.155 -1.583 504 HD22 LEU 70 2HD2 LEU 70 -18.782 -3.846 -3.310 505 HD23 LEU 70 3HD2 LEU 70 -17.865 -2.897 -2.140 506 H GLN 71 H GLN 71 -13.330 -2.836 -3.767 507 HA GLN 71 HA GLN 71 -11.594 -5.175 -3.387 508 HB2 GLN 71 1HB GLN 71 -13.115 -5.470 -5.367 509 HB3 GLN 71 2HB GLN 71 -12.344 -4.067 -6.094 510 HG2 GLN 71 1HG GLN 71 -10.221 -5.201 -6.143 511 HG3 GLN 71 2HG GLN 71 -10.903 -6.581 -5.283 512 HE21 GLN 71 1HE2 GLN 71 -9.768 -5.882 -8.115 513 HE22 GLN 71 2HE2 GLN 71 -10.846 -6.735 -9.162 514 H HIS 72 H HIS 72 -10.024 -3.994 -2.341 515 HA HIS 72 HA HIS 72 -8.882 -1.692 -3.756 516 HB2 HIS 72 1HB HIS 72 -8.573 -2.666 -0.913 517 HB3 HIS 72 2HB HIS 72 -7.628 -1.344 -1.591 518 HD2 HIS 72 2HD HIS 72 -11.369 -2.091 -0.634 519 HE1 HIS 72 1HE HIS 72 -10.832 2.102 -1.003 520 HE2 HIS 72 2HE HIS 72 -12.388 0.259 -0.275 521 H ARG 73 H ARG 73 -6.695 -1.580 -4.276 522 HA ARG 73 HA ARG 73 -4.973 -3.851 -3.756 523 HB2 ARG 73 1HB ARG 73 -6.170 -4.586 -5.753 524 HB3 ARG 73 2HB ARG 73 -5.758 -3.086 -6.573 525 HG2 ARG 73 1HG ARG 73 -3.424 -3.668 -6.574 526 HG3 ARG 73 2HG ARG 73 -3.750 -5.111 -5.612 527 HD2 ARG 73 1HD ARG 73 -3.483 -5.756 -7.911 528 HD3 ARG 73 2HD ARG 73 -5.175 -5.957 -7.456 529 HE ARG 73 HE ARG 73 -4.526 -3.434 -8.713 530 HH11 ARG 73 2HH1 ARG 73 -5.617 -6.711 -9.149 531 HH12 ARG 73 1HH1 ARG 73 -6.386 -6.391 -10.668 532 HH21 ARG 73 2HH2 ARG 73 -5.535 -3.000 -10.712 533 HH22 ARG 73 1HH2 ARG 73 -6.338 -4.280 -11.556 534 H LEU 74 H LEU 74 -2.901 -3.233 -3.572 535 HA LEU 74 HA LEU 74 -2.096 -0.658 -4.739 536 HB2 LEU 74 1HB LEU 74 -2.482 -0.113 -2.486 537 HB3 LEU 74 2HB LEU 74 -1.750 -1.611 -1.914 538 HG LEU 74 HG LEU 74 0.434 -0.619 -2.923 539 HD11 LEU 74 1HD1 LEU 74 0.366 1.922 -2.571 540 HD12 LEU 74 2HD1 LEU 74 -1.379 1.763 -2.770 541 HD13 LEU 74 3HD1 LEU 74 -0.295 1.271 -4.072 542 HD21 LEU 74 1HD2 LEU 74 0.168 -1.034 -0.576 543 HD22 LEU 74 2HD2 LEU 74 -0.857 0.389 -0.392 544 HD23 LEU 74 3HD2 LEU 74 0.852 0.578 -0.783 545 H ILE 75 H ILE 75 -0.566 -1.114 -6.173 546 HA ILE 75 HA ILE 75 1.355 -3.258 -5.567 547 HB ILE 75 HB ILE 75 0.730 -1.994 -8.238 548 HG12 ILE 75 1HG1 ILE 75 -0.064 -4.532 -8.526 549 HG13 ILE 75 2HG1 ILE 75 -0.346 -4.366 -6.796 550 HG21 ILE 75 1HG2 ILE 75 2.441 -4.375 -7.531 551 HG22 ILE 75 2HG2 ILE 75 2.059 -3.833 -9.165 552 HG23 ILE 75 3HG2 ILE 75 3.018 -2.808 -8.098 553 HD11 ILE 75 1HD1 ILE 75 -2.323 -3.889 -8.221 554 HD12 ILE 75 2HD1 ILE 75 -1.864 -2.563 -7.151 555 HD13 ILE 75 3HD1 ILE 75 -1.460 -2.493 -8.866 556 H LEU 76 H LEU 76 3.350 -2.704 -5.016 557 HA LEU 76 HA LEU 76 4.274 0.020 -5.621 558 HB2 LEU 76 1HB LEU 76 5.392 -1.899 -3.588 559 HB3 LEU 76 2HB LEU 76 5.777 -0.189 -3.765 560 HG LEU 76 HG LEU 76 2.966 -0.974 -3.152 561 HD11 LEU 76 1HD1 LEU 76 3.805 -2.207 -1.430 562 HD12 LEU 76 2HD1 LEU 76 3.820 -0.613 -0.679 563 HD13 LEU 76 3HD1 LEU 76 5.306 -1.284 -1.349 564 HD21 LEU 76 1HD2 LEU 76 2.954 1.272 -3.279 565 HD22 LEU 76 2HD2 LEU 76 4.692 1.403 -3.005 566 HD23 LEU 76 3HD2 LEU 76 3.598 1.177 -1.640 567 H HIS 77 H HIS 77 5.217 -0.156 -7.600 568 HA HIS 77 HA HIS 77 6.991 -2.349 -8.225 569 HB2 HIS 77 1HB HIS 77 6.803 0.102 -9.927 570 HB3 HIS 77 2HB HIS 77 6.964 -1.584 -10.409 571 HD1 HIS 77 1HD HIS 77 4.819 -2.930 -10.737 572 HD2 HIS 77 2HD HIS 77 4.156 0.939 -9.375 573 HE1 HIS 77 1HE HIS 77 2.344 -2.550 -10.970 574 HE2 HIS 77 2HE HIS 77 1.979 -0.174 -10.219 575 H ALA 78 H ALA 78 9.184 -2.317 -8.293 576 HA ALA 78 HA ALA 78 11.335 -1.602 -8.018 577 HB1 ALA 78 1HB ALA 78 11.199 1.184 -7.760 578 HB2 ALA 78 2HB ALA 78 11.634 0.256 -9.196 579 HB3 ALA 78 3HB ALA 78 9.960 0.746 -8.936 580 H VAL 79 H VAL 79 10.244 -2.543 -5.827 581 HA VAL 79 HA VAL 79 10.179 -0.686 -3.644 582 HB VAL 79 HB VAL 79 9.989 -2.660 -2.208 583 HG11 VAL 79 1HG1 VAL 79 8.278 -2.763 -4.689 584 HG12 VAL 79 2HG1 VAL 79 7.907 -3.584 -3.171 585 HG13 VAL 79 3HG1 VAL 79 7.970 -1.822 -3.229 586 HG21 VAL 79 1HG2 VAL 79 11.075 -4.500 -2.853 587 HG22 VAL 79 2HG2 VAL 79 9.706 -4.807 -3.921 588 HG23 VAL 79 3HG2 VAL 79 11.133 -3.972 -4.535 589 H LYS 80 H LYS 80 11.893 0.175 -2.697 590 HA LYS 80 HA LYS 80 14.538 -0.874 -3.148 591 HB2 LYS 80 1HB LYS 80 13.515 1.478 -1.554 592 HB3 LYS 80 2HB LYS 80 15.220 1.063 -1.677 593 HG2 LYS 80 1HG LYS 80 14.992 2.675 -3.302 594 HG3 LYS 80 2HG LYS 80 14.808 1.187 -4.233 595 HD2 LYS 80 1HD LYS 80 12.374 1.417 -4.120 596 HD3 LYS 80 2HD LYS 80 12.556 2.900 -3.180 597 HE2 LYS 80 1HE LYS 80 13.913 2.684 -5.826 598 HE3 LYS 80 2HE LYS 80 12.176 2.982 -5.779 599 HZ1 LYS 80 1HZ LYS 80 12.463 5.054 -4.986 600 HZ2 LYS 80 2HZ LYS 80 13.992 4.914 -5.696 601 HZ3 LYS 80 3HZ LYS 80 13.803 4.645 -4.037 602 H HIS 81 H HIS 81 15.958 -1.688 -1.605 603 HA HIS 81 HA HIS 81 14.829 -3.328 0.392 604 HB2 HIS 81 1HB HIS 81 16.888 -4.030 -0.561 605 HB3 HIS 81 2HB HIS 81 17.666 -2.492 -0.199 606 HD1 HIS 81 1HD HIS 81 16.222 -5.470 1.668 607 HD2 HIS 81 2HD HIS 81 19.089 -2.496 2.110 608 HE1 HIS 81 1HE HIS 81 17.426 -6.011 3.808 609 HE2 HIS 81 2HE HIS 81 19.099 -4.150 4.099 610 H GLN 82 H GLN 82 16.569 -0.244 0.562 611 HA GLN 82 HA GLN 82 16.949 0.122 3.212 612 HB2 GLN 82 1HB GLN 82 16.642 2.517 2.867 613 HB3 GLN 82 2HB GLN 82 17.506 1.803 1.512 614 HG2 GLN 82 1HG GLN 82 15.452 1.792 0.198 615 HG3 GLN 82 2HG GLN 82 14.577 2.494 1.558 616 HE21 GLN 82 1HE2 GLN 82 14.504 3.756 -0.822 617 HE22 GLN 82 2HE2 GLN 82 15.436 5.210 -0.767 618 H ASP 83 H ASP 83 13.872 0.198 1.533 619 HA ASP 83 HA ASP 83 12.473 0.898 4.004 620 HB2 ASP 83 1HB ASP 83 11.525 0.621 1.148 621 HB3 ASP 83 2HB ASP 83 10.449 0.947 2.504 622 H SER 84 H SER 84 13.789 -1.641 3.832 623 HA SER 84 HA SER 84 12.114 -3.764 3.142 624 HB2 SER 84 1HB SER 84 13.553 -5.156 4.460 625 HB3 SER 84 2HB SER 84 14.565 -3.901 3.743 626 HG SER 84 HG SER 84 14.429 -4.496 6.255 627 H GLY 85 H GLY 85 10.821 -5.162 4.443 628 HA2 GLY 85 1HA GLY 85 9.108 -5.558 5.920 629 HA3 GLY 85 2HA GLY 85 10.135 -4.772 7.110 630 H ALA 86 H ALA 86 8.625 -3.406 4.207 631 HA ALA 86 HA ALA 86 7.758 -1.083 5.585 632 HB1 ALA 86 1HB ALA 86 7.217 -0.276 3.547 633 HB2 ALA 86 2HB ALA 86 8.182 -1.645 2.993 634 HB3 ALA 86 3HB ALA 86 6.423 -1.770 3.045 635 H LEU 87 H LEU 87 5.985 -0.746 6.753 636 HA LEU 87 HA LEU 87 4.048 -2.848 7.085 637 HB2 LEU 87 1HB LEU 87 5.013 -1.047 8.781 638 HB3 LEU 87 2HB LEU 87 3.610 -0.139 8.222 639 HG LEU 87 HG LEU 87 3.097 -1.291 10.285 640 HD11 LEU 87 1HD1 LEU 87 1.433 -1.107 8.339 641 HD12 LEU 87 2HD1 LEU 87 1.054 -2.214 9.657 642 HD13 LEU 87 3HD1 LEU 87 1.693 -2.839 8.137 643 HD21 LEU 87 1HD2 LEU 87 3.301 -3.977 9.058 644 HD22 LEU 87 2HD2 LEU 87 3.531 -3.472 10.732 645 HD23 LEU 87 3HD2 LEU 87 4.808 -3.201 9.545 646 H VAL 88 H VAL 88 2.874 -3.068 5.216 647 HA VAL 88 HA VAL 88 1.530 -0.723 4.106 648 HB VAL 88 HB VAL 88 1.491 -3.569 3.093 649 HG11 VAL 88 1HG1 VAL 88 -0.260 -2.695 1.962 650 HG12 VAL 88 2HG1 VAL 88 0.278 -1.031 2.198 651 HG13 VAL 88 3HG1 VAL 88 1.016 -2.028 0.944 652 HG21 VAL 88 1HG2 VAL 88 3.011 -2.308 1.306 653 HG22 VAL 88 2HG2 VAL 88 3.424 -1.350 2.729 654 HG23 VAL 88 3HG2 VAL 88 3.686 -3.094 2.734 655 H GLY 89 H GLY 89 -0.342 -0.172 5.013 656 HA2 GLY 89 1HA GLY 89 -2.335 -2.279 5.470 657 HA3 GLY 89 2HA GLY 89 -1.947 -1.191 6.793 658 H PHE 90 H PHE 90 -4.500 -1.583 5.463 659 HA PHE 90 HA PHE 90 -4.878 1.082 4.269 660 HB2 PHE 90 1HB PHE 90 -5.533 -0.500 2.648 661 HB3 PHE 90 2HB PHE 90 -6.321 -1.525 3.843 662 HD1 PHE 90 2HD PHE 90 -6.558 1.856 2.305 663 HD2 PHE 90 1HD PHE 90 -8.609 -1.403 4.118 664 HE1 PHE 90 2HE PHE 90 -8.711 2.936 1.803 665 HE2 PHE 90 1HE PHE 90 -10.765 -0.329 3.618 666 HZ PHE 90 HZ PHE 90 -10.818 1.844 2.460 667 H SER 91 H SER 91 -5.564 2.452 5.781 668 HA SER 91 HA SER 91 -7.313 1.517 7.920 669 HB2 SER 91 1HB SER 91 -6.988 4.053 8.592 670 HB3 SER 91 2HB SER 91 -5.708 2.875 8.880 671 HG SER 91 HG SER 91 -4.509 4.061 7.646 672 H CYS 92 H CYS 92 -9.427 1.969 8.065 673 HA CYS 92 HA CYS 92 -10.590 4.118 6.491 674 HB2 CYS 92 1HB CYS 92 -11.900 2.855 5.100 675 HB3 CYS 92 2HB CYS 92 -10.527 1.764 5.249 676 HG CYS 92 HG CYS 92 -13.392 1.516 7.106 677 HA PRO 93 HA PRO 93 -13.307 4.510 9.911 678 HB2 PRO 93 1HB PRO 93 -15.584 5.385 8.718 679 HB3 PRO 93 2HB PRO 93 -14.143 6.393 8.894 680 HG2 PRO 93 1HG PRO 93 -15.092 4.847 6.513 681 HG3 PRO 93 2HG PRO 93 -14.423 6.487 6.587 682 HD2 PRO 93 1HD PRO 93 -12.949 4.346 5.831 683 HD3 PRO 93 2HD PRO 93 -12.248 5.731 6.692 684 H GLY 94 H GLY 94 -13.290 2.107 10.179 685 HA2 GLY 94 1HA GLY 94 -15.498 0.927 10.951 686 HA3 GLY 94 2HA GLY 94 -15.719 0.780 9.214 687 H VAL 95 H VAL 95 -12.620 0.566 9.150 688 HA VAL 95 HA VAL 95 -12.303 -2.140 10.204 689 HB VAL 95 HB VAL 95 -11.964 -1.425 7.292 690 HG11 VAL 95 1HG1 VAL 95 -10.039 -2.707 7.923 691 HG12 VAL 95 2HG1 VAL 95 -11.042 -3.873 8.790 692 HG13 VAL 95 3HG1 VAL 95 -11.138 -3.760 7.032 693 HG21 VAL 95 1HG2 VAL 95 -14.211 -2.208 8.420 694 HG22 VAL 95 2HG2 VAL 95 -13.720 -2.828 6.843 695 HG23 VAL 95 3HG2 VAL 95 -13.458 -3.798 8.292 696 H GLN 96 H GLN 96 -10.138 -2.791 10.471 697 HA GLN 96 HA GLN 96 -8.050 -0.852 9.841 698 HB2 GLN 96 1HB GLN 96 -8.731 -0.169 12.051 699 HB3 GLN 96 2HB GLN 96 -8.668 -1.828 12.631 700 HG2 GLN 96 1HG GLN 96 -6.170 -1.698 11.941 701 HG3 GLN 96 2HG GLN 96 -6.432 0.044 12.009 702 HE21 GLN 96 1HE2 GLN 96 -6.782 1.031 13.973 703 HE22 GLN 96 2HE2 GLN 96 -6.521 0.232 15.482 704 H ASP 97 H ASP 97 -6.776 -2.097 8.617 705 HA ASP 97 HA ASP 97 -5.708 -4.547 9.816 706 HB2 ASP 97 1HB ASP 97 -5.849 -5.687 7.598 707 HB3 ASP 97 2HB ASP 97 -7.419 -5.359 8.326 708 H SER 98 H SER 98 -3.672 -5.238 8.867 709 HA SER 98 HA SER 98 -2.288 -3.421 7.100 710 HB2 SER 98 1HB SER 98 -0.558 -2.752 8.618 711 HB3 SER 98 2HB SER 98 -2.097 -2.383 9.397 712 HG SER 98 HG SER 98 -1.668 -4.729 10.230 713 H ALA 99 H ALA 99 -0.106 -4.196 6.563 714 HA ALA 99 HA ALA 99 0.314 -7.041 7.165 715 HB1 ALA 99 1HB ALA 99 -0.648 -7.275 5.078 716 HB2 ALA 99 2HB ALA 99 0.048 -5.772 4.472 717 HB3 ALA 99 3HB ALA 99 1.069 -7.195 4.684 718 H ALA 100 H ALA 100 2.548 -7.656 5.982 719 HA ALA 100 HA ALA 100 4.483 -5.528 6.617 720 HB1 ALA 100 1HB ALA 100 4.211 -7.447 8.338 721 HB2 ALA 100 2HB ALA 100 5.118 -8.399 7.161 722 HB3 ALA 100 3HB ALA 100 5.831 -6.943 7.855 723 H LEU 101 H LEU 101 5.729 -5.043 4.942 724 HA LEU 101 HA LEU 101 6.012 -7.001 2.774 725 HB2 LEU 101 1HB LEU 101 5.135 -5.013 1.916 726 HB3 LEU 101 2HB LEU 101 6.205 -4.014 2.898 727 HG LEU 101 HG LEU 101 8.100 -4.973 1.452 728 HD11 LEU 101 1HD1 LEU 101 6.087 -5.320 -0.687 729 HD12 LEU 101 2HD1 LEU 101 6.255 -6.634 0.477 730 HD13 LEU 101 3HD1 LEU 101 7.652 -6.101 -0.459 731 HD21 LEU 101 1HD2 LEU 101 7.169 -3.382 -0.503 732 HD22 LEU 101 2HD2 LEU 101 7.845 -2.774 1.008 733 HD23 LEU 101 3HD2 LEU 101 6.096 -2.903 0.812 734 H THR 102 H THR 102 7.756 -8.236 3.134 735 HA THR 102 HA THR 102 10.179 -7.088 4.258 736 HB THR 102 HB THR 102 9.548 -9.926 3.428 737 HG1 THR 102 1HG THR 102 9.837 -9.972 5.923 738 HG21 THR 102 1HG2 THR 102 12.050 -8.820 3.668 739 HG22 THR 102 2HG2 THR 102 11.665 -10.529 3.868 740 HG23 THR 102 3HG2 THR 102 11.765 -9.477 5.279 741 H ILE 103 H ILE 103 12.048 -6.720 3.178 742 HA ILE 103 HA ILE 103 12.155 -7.452 0.329 743 HB ILE 103 HB ILE 103 13.055 -4.806 1.473 744 HG12 ILE 103 1HG1 ILE 103 10.839 -5.182 -0.520 745 HG13 ILE 103 2HG1 ILE 103 10.518 -5.311 1.206 746 HG21 ILE 103 1HG2 ILE 103 14.475 -5.168 -0.308 747 HG22 ILE 103 2HG2 ILE 103 13.269 -6.075 -1.220 748 HG23 ILE 103 3HG2 ILE 103 13.137 -4.322 -1.085 749 HD11 ILE 103 1HD1 ILE 103 11.948 -2.961 0.970 750 HD12 ILE 103 2HD1 ILE 103 10.887 -2.967 -0.439 751 HD13 ILE 103 3HD1 ILE 103 10.204 -3.119 1.180 752 H GLN 104 H GLN 104 13.886 -8.630 -0.116 753 HA GLN 104 HA GLN 104 16.179 -8.528 1.711 754 HB2 GLN 104 1HB GLN 104 15.472 -10.603 -0.370 755 HB3 GLN 104 2HB GLN 104 16.810 -10.697 0.766 756 HG2 GLN 104 1HG GLN 104 14.868 -10.407 2.530 757 HG3 GLN 104 2HG GLN 104 13.904 -11.080 1.216 758 HE21 GLN 104 1HE2 GLN 104 13.783 -12.659 3.168 759 HE22 GLN 104 2HE2 GLN 104 14.884 -13.988 3.093 760 H GLU 105 H GLU 105 17.873 -7.371 1.103 761 HA GLU 105 HA GLU 105 18.190 -6.173 -1.396 762 HB2 GLU 105 1HB GLU 105 20.615 -5.873 -0.627 763 HB3 GLU 105 2HB GLU 105 19.354 -5.177 0.382 764 HG2 GLU 105 1HG GLU 105 19.617 -6.774 2.040 765 HG3 GLU 105 2HG GLU 105 20.421 -7.909 0.956 766 H SER 106 H SER 106 18.433 -7.216 -3.258 767 HA SER 106 HA SER 106 19.258 -9.818 -3.649 768 HB2 SER 106 1HB SER 106 19.883 -8.951 -6.019 769 HB3 SER 106 2HB SER 106 18.206 -8.826 -5.488 770 HG SER 106 HG SER 106 19.826 -6.672 -4.866 771 H SER 107 H SER 107 21.195 -6.901 -3.404 772 HA SER 107 HA SER 107 23.543 -8.387 -2.768 773 HB2 SER 107 1HB SER 107 23.188 -7.342 -5.537 774 HB3 SER 107 2HB SER 107 24.778 -7.168 -4.795 775 HG SER 107 HG SER 107 24.233 -9.577 -4.254 776 H GLY 108 H GLY 108 25.443 -6.924 -2.431 777 HA2 GLY 108 1HA GLY 108 25.066 -4.099 -2.361 778 HA3 GLY 108 2HA GLY 108 24.824 -4.805 -0.770 779 HA PRO 109 HA PRO 109 29.334 -3.827 -1.291 780 HB2 PRO 109 1HB PRO 109 29.587 -2.578 1.106 781 HB3 PRO 109 2HB PRO 109 29.078 -1.740 -0.365 782 HG2 PRO 109 1HG PRO 109 27.411 -2.799 1.885 783 HG3 PRO 109 2HG PRO 109 27.275 -1.256 1.021 784 HD2 PRO 109 1HD PRO 109 25.670 -3.370 0.487 785 HD3 PRO 109 2HD PRO 109 26.163 -2.206 -0.760 786 H SER 110 H SER 110 31.042 -4.152 0.613 787 HA SER 110 HA SER 110 30.411 -6.768 1.804 788 HB2 SER 110 1HB SER 110 32.853 -7.154 1.822 789 HB3 SER 110 2HB SER 110 32.254 -6.827 0.196 790 HG SER 110 HG SER 110 33.732 -5.144 1.911 791 H SER 111 H SER 111 32.024 -3.678 2.443 792 HA SER 111 HA SER 111 32.809 -4.139 5.072 793 HB2 SER 111 1HB SER 111 32.151 -1.680 3.498 794 HB3 SER 111 2HB SER 111 32.402 -1.538 5.237 795 HG SER 111 HG SER 111 34.322 -1.275 3.902 796 H GLY 112 H GLY 112 29.783 -2.686 3.876 797 HA2 GLY 112 1HA GLY 112 28.057 -3.897 5.643 798 HA3 GLY 112 2HA GLY 112 28.636 -2.467 6.485 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -27.811 13.697 11.754 2 HA2 GLY 1 1HA GLY 1 -27.157 15.733 10.913 3 HA3 GLY 1 2HA GLY 1 -25.732 15.609 11.934 4 H SER 2 H SER 2 -24.450 16.536 10.290 5 HA SER 2 HA SER 2 -24.099 14.920 7.866 6 HB2 SER 2 1HB SER 2 -22.956 16.846 6.922 7 HB3 SER 2 2HB SER 2 -24.500 17.363 7.600 8 HG SER 2 HG SER 2 -22.045 17.522 9.007 9 H SER 3 H SER 3 -22.448 16.056 10.730 10 HA SER 3 HA SER 3 -19.913 14.912 9.861 11 HB2 SER 3 1HB SER 3 -19.017 15.853 11.955 12 HB3 SER 3 2HB SER 3 -19.874 17.077 11.018 13 HG SER 3 HG SER 3 -21.176 17.320 12.636 14 H GLY 4 H GLY 4 -20.242 12.706 9.855 15 HA2 GLY 4 1HA GLY 4 -20.138 11.435 12.447 16 HA3 GLY 4 2HA GLY 4 -21.604 11.085 11.543 17 H SER 5 H SER 5 -21.069 8.880 11.420 18 HA SER 5 HA SER 5 -18.642 7.856 10.468 19 HB2 SER 5 1HB SER 5 -19.916 5.775 10.032 20 HB3 SER 5 2HB SER 5 -20.269 6.450 11.622 21 HG SER 5 HG SER 5 -22.033 5.776 9.924 22 H SER 6 H SER 6 -17.806 8.618 8.611 23 HA SER 6 HA SER 6 -19.418 9.196 6.310 24 HB2 SER 6 1HB SER 6 -17.128 10.243 7.075 25 HB3 SER 6 2HB SER 6 -16.440 8.903 6.158 26 HG SER 6 HG SER 6 -17.819 9.657 4.389 27 H GLY 7 H GLY 7 -20.004 6.642 6.917 28 HA2 GLY 7 1HA GLY 7 -20.384 4.808 5.469 29 HA3 GLY 7 2HA GLY 7 -18.910 5.216 4.605 30 H THR 8 H THR 8 -19.659 2.618 5.521 31 HA THR 8 HA THR 8 -17.266 1.993 7.033 32 HB THR 8 HB THR 8 -18.428 0.657 8.730 33 HG1 THR 8 1HG THR 8 -20.449 0.731 7.188 34 HG21 THR 8 1HG2 THR 8 -18.977 2.419 10.157 35 HG22 THR 8 2HG2 THR 8 -19.650 3.394 8.850 36 HG23 THR 8 3HG2 THR 8 -17.905 3.177 8.980 37 H ALA 9 H ALA 9 -16.937 -0.391 7.204 38 HA ALA 9 HA ALA 9 -18.488 -2.091 5.472 39 HB1 ALA 9 1HB ALA 9 -17.169 -0.995 3.785 40 HB2 ALA 9 2HB ALA 9 -15.684 -1.316 4.681 41 HB3 ALA 9 3HB ALA 9 -16.594 -2.652 3.976 42 H ARG 10 H ARG 10 -17.588 -4.325 5.407 43 HA ARG 10 HA ARG 10 -16.178 -4.911 7.924 44 HB2 ARG 10 1HB ARG 10 -18.356 -6.329 6.439 45 HB3 ARG 10 2HB ARG 10 -17.265 -7.256 7.462 46 HG2 ARG 10 1HG ARG 10 -19.173 -6.737 8.762 47 HG3 ARG 10 2HG ARG 10 -17.861 -5.708 9.340 48 HD2 ARG 10 1HD ARG 10 -19.593 -4.199 9.196 49 HD3 ARG 10 2HD ARG 10 -18.824 -3.999 7.622 50 HE ARG 10 HE ARG 10 -20.745 -4.755 6.657 51 HH11 ARG 10 2HH1 ARG 10 -20.683 -5.809 9.974 52 HH12 ARG 10 1HH1 ARG 10 -22.275 -6.490 9.924 53 HH21 ARG 10 2HH2 ARG 10 -22.843 -5.647 6.578 54 HH22 ARG 10 1HH2 ARG 10 -23.503 -6.397 7.992 55 H LEU 11 H LEU 11 -14.488 -6.373 7.945 56 HA LEU 11 HA LEU 11 -13.054 -6.646 5.468 57 HB2 LEU 11 1HB LEU 11 -12.022 -6.171 7.715 58 HB3 LEU 11 2HB LEU 11 -12.361 -7.848 8.140 59 HG LEU 11 HG LEU 11 -10.891 -8.579 6.294 60 HD11 LEU 11 1HD1 LEU 11 -9.297 -6.562 5.598 61 HD12 LEU 11 2HD1 LEU 11 -10.797 -5.660 5.815 62 HD13 LEU 11 3HD1 LEU 11 -10.733 -7.003 4.674 63 HD21 LEU 11 1HD2 LEU 11 -9.607 -6.687 8.263 64 HD22 LEU 11 2HD2 LEU 11 -8.783 -7.966 7.370 65 HD23 LEU 11 3HD2 LEU 11 -10.016 -8.377 8.563 66 H VAL 12 H VAL 12 -13.554 -8.182 4.057 67 HA VAL 12 HA VAL 12 -14.707 -10.700 4.972 68 HB VAL 12 HB VAL 12 -14.225 -9.798 2.131 69 HG11 VAL 12 1HG1 VAL 12 -16.410 -11.488 2.218 70 HG12 VAL 12 2HG1 VAL 12 -14.782 -11.911 1.684 71 HG13 VAL 12 3HG1 VAL 12 -15.272 -12.215 3.352 72 HG21 VAL 12 1HG2 VAL 12 -16.491 -9.030 2.063 73 HG22 VAL 12 2HG2 VAL 12 -16.789 -9.602 3.705 74 HG23 VAL 12 3HG2 VAL 12 -15.693 -8.249 3.428 75 H ALA 13 H ALA 13 -11.931 -9.537 3.092 76 HA ALA 13 HA ALA 13 -10.545 -12.046 3.738 77 HB1 ALA 13 1HB ALA 13 -9.795 -12.403 1.560 78 HB2 ALA 13 2HB ALA 13 -11.487 -11.950 1.350 79 HB3 ALA 13 3HB ALA 13 -10.213 -10.769 1.046 80 H GLY 14 H GLY 14 -9.565 -10.713 5.401 81 HA2 GLY 14 1HA GLY 14 -8.237 -8.368 5.232 82 HA3 GLY 14 2HA GLY 14 -7.611 -9.726 6.155 83 H LEU 15 H LEU 15 -5.955 -7.817 4.979 84 HA LEU 15 HA LEU 15 -4.978 -8.444 2.443 85 HB2 LEU 15 1HB LEU 15 -3.556 -7.322 4.850 86 HB3 LEU 15 2HB LEU 15 -2.858 -7.387 3.233 87 HG LEU 15 HG LEU 15 -5.462 -5.989 3.594 88 HD11 LEU 15 1HD1 LEU 15 -2.794 -4.815 4.362 89 HD12 LEU 15 2HD1 LEU 15 -4.141 -5.146 5.451 90 HD13 LEU 15 3HD1 LEU 15 -4.304 -3.919 4.196 91 HD21 LEU 15 1HD2 LEU 15 -4.296 -4.483 1.906 92 HD22 LEU 15 2HD2 LEU 15 -4.715 -6.110 1.370 93 HD23 LEU 15 3HD2 LEU 15 -3.052 -5.730 1.819 94 H GLU 16 H GLU 16 -2.521 -9.175 2.258 95 HA GLU 16 HA GLU 16 -2.105 -11.598 3.861 96 HB2 GLU 16 1HB GLU 16 -1.956 -11.470 0.844 97 HB3 GLU 16 2HB GLU 16 -1.492 -12.853 1.825 98 HG2 GLU 16 1HG GLU 16 -4.256 -11.706 1.939 99 HG3 GLU 16 2HG GLU 16 -3.788 -12.883 0.713 100 H ASP 17 H ASP 17 0.074 -12.343 3.930 101 HA ASP 17 HA ASP 17 1.985 -10.237 3.983 102 HB2 ASP 17 1HB ASP 17 3.584 -11.990 4.643 103 HB3 ASP 17 2HB ASP 17 2.091 -12.091 5.572 104 H VAL 18 H VAL 18 3.645 -9.754 2.618 105 HA VAL 18 HA VAL 18 4.060 -11.429 0.253 106 HB VAL 18 HB VAL 18 3.584 -8.451 0.073 107 HG11 VAL 18 1HG1 VAL 18 4.097 -10.523 -2.059 108 HG12 VAL 18 2HG1 VAL 18 3.677 -8.835 -2.355 109 HG13 VAL 18 3HG1 VAL 18 5.198 -9.240 -1.559 110 HG21 VAL 18 1HG2 VAL 18 1.787 -10.762 -0.154 111 HG22 VAL 18 2HG2 VAL 18 1.423 -9.069 0.180 112 HG23 VAL 18 3HG2 VAL 18 1.681 -9.605 -1.481 113 H GLN 19 H GLN 19 6.089 -11.167 -0.746 114 HA GLN 19 HA GLN 19 7.997 -9.322 0.440 115 HB2 GLN 19 1HB GLN 19 9.484 -10.893 1.284 116 HB3 GLN 19 2HB GLN 19 7.926 -11.570 1.739 117 HG2 GLN 19 1HG GLN 19 8.015 -13.064 -0.196 118 HG3 GLN 19 2HG GLN 19 9.586 -12.394 -0.633 119 HE21 GLN 19 1HE2 GLN 19 9.498 -15.017 -0.323 120 HE22 GLN 19 2HE2 GLN 19 10.237 -15.511 1.158 121 H VAL 20 H VAL 20 9.467 -8.627 -1.001 122 HA VAL 20 HA VAL 20 10.017 -10.211 -3.393 123 HB VAL 20 HB VAL 20 9.622 -8.352 -4.908 124 HG11 VAL 20 1HG1 VAL 20 7.775 -9.987 -4.129 125 HG12 VAL 20 2HG1 VAL 20 7.102 -8.576 -3.309 126 HG13 VAL 20 3HG1 VAL 20 7.318 -8.561 -5.060 127 HG21 VAL 20 1HG2 VAL 20 8.356 -6.352 -4.034 128 HG22 VAL 20 2HG2 VAL 20 8.784 -6.893 -2.411 129 HG23 VAL 20 3HG2 VAL 20 10.050 -6.451 -3.556 130 H TYR 21 H TYR 21 11.888 -9.465 -4.583 131 HA TYR 21 HA TYR 21 13.970 -8.575 -2.838 132 HB2 TYR 21 1HB TYR 21 13.892 -9.239 -5.779 133 HB3 TYR 21 2HB TYR 21 15.356 -8.688 -4.973 134 HD1 TYR 21 1HD TYR 21 12.660 -11.172 -4.206 135 HD2 TYR 21 2HD TYR 21 16.831 -10.390 -4.513 136 HE1 TYR 21 1HE TYR 21 13.138 -13.482 -3.511 137 HE2 TYR 21 2HE TYR 21 17.321 -12.699 -3.820 138 HH TYR 21 HH TYR 21 16.217 -14.516 -2.564 139 H ASP 22 H ASP 22 15.405 -6.768 -3.284 140 HA ASP 22 HA ASP 22 14.131 -4.323 -3.416 141 HB2 ASP 22 1HB ASP 22 16.320 -4.404 -2.495 142 HB3 ASP 22 2HB ASP 22 16.995 -5.084 -3.973 143 H GLY 23 H GLY 23 13.755 -2.798 -4.996 144 HA2 GLY 23 1HA GLY 23 13.651 -1.896 -7.135 145 HA3 GLY 23 2HA GLY 23 14.612 -3.245 -7.721 146 H GLU 24 H GLU 24 12.682 -5.140 -6.390 147 HA GLU 24 HA GLU 24 11.040 -5.596 -8.652 148 HB2 GLU 24 1HB GLU 24 10.819 -6.762 -5.871 149 HB3 GLU 24 2HB GLU 24 10.034 -7.391 -7.313 150 HG2 GLU 24 1HG GLU 24 13.004 -7.230 -6.848 151 HG3 GLU 24 2HG GLU 24 12.012 -8.683 -6.735 152 H ASP 25 H ASP 25 8.573 -6.130 -8.102 153 HA ASP 25 HA ASP 25 7.457 -3.650 -6.968 154 HB2 ASP 25 1HB ASP 25 5.432 -4.389 -8.466 155 HB3 ASP 25 2HB ASP 25 6.811 -3.564 -9.187 156 H ALA 26 H ALA 26 6.005 -3.776 -5.359 157 HA ALA 26 HA ALA 26 5.340 -6.444 -4.353 158 HB1 ALA 26 1HB ALA 26 4.831 -3.862 -2.910 159 HB2 ALA 26 2HB ALA 26 5.027 -5.483 -2.242 160 HB3 ALA 26 3HB ALA 26 6.419 -4.631 -2.911 161 H VAL 27 H VAL 27 3.229 -7.064 -3.857 162 HA VAL 27 HA VAL 27 1.100 -5.354 -4.965 163 HB VAL 27 HB VAL 27 1.241 -8.364 -5.190 164 HG11 VAL 27 1HG1 VAL 27 -0.980 -6.712 -5.175 165 HG12 VAL 27 2HG1 VAL 27 -0.656 -6.978 -6.890 166 HG13 VAL 27 3HG1 VAL 27 -0.899 -8.354 -5.813 167 HG21 VAL 27 1HG2 VAL 27 1.347 -6.441 -7.486 168 HG22 VAL 27 2HG2 VAL 27 2.815 -6.920 -6.634 169 HG23 VAL 27 3HG2 VAL 27 1.822 -8.139 -7.434 170 H PHE 28 H PHE 28 -0.628 -5.049 -3.696 171 HA PHE 28 HA PHE 28 -1.193 -6.916 -1.527 172 HB2 PHE 28 1HB PHE 28 -0.762 -3.956 -1.071 173 HB3 PHE 28 2HB PHE 28 -1.342 -5.101 0.135 174 HD1 PHE 28 1HD PHE 28 0.181 -6.960 0.869 175 HD2 PHE 28 2HD PHE 28 1.528 -3.671 -1.472 176 HE1 PHE 28 1HE PHE 28 2.502 -7.453 1.519 177 HE2 PHE 28 2HE PHE 28 3.851 -4.159 -0.827 178 HZ PHE 28 HZ PHE 28 4.341 -6.052 0.670 179 H SER 29 H SER 29 -3.329 -7.054 -1.002 180 HA SER 29 HA SER 29 -5.233 -5.039 -1.721 181 HB2 SER 29 1HB SER 29 -6.533 -6.571 -3.264 182 HB3 SER 29 2HB SER 29 -5.032 -5.928 -3.931 183 HG SER 29 HG SER 29 -5.630 -8.369 -3.973 184 H LEU 30 H LEU 30 -7.486 -5.749 -1.216 185 HA LEU 30 HA LEU 30 -7.676 -8.053 0.559 186 HB2 LEU 30 1HB LEU 30 -8.696 -6.734 2.349 187 HB3 LEU 30 2HB LEU 30 -7.023 -6.269 2.050 188 HG LEU 30 HG LEU 30 -8.245 -4.433 0.538 189 HD11 LEU 30 1HD1 LEU 30 -10.124 -4.079 2.677 190 HD12 LEU 30 2HD1 LEU 30 -10.393 -5.628 1.880 191 HD13 LEU 30 3HD1 LEU 30 -10.406 -4.138 0.937 192 HD21 LEU 30 1HD2 LEU 30 -7.697 -4.380 3.496 193 HD22 LEU 30 2HD2 LEU 30 -8.130 -2.941 2.572 194 HD23 LEU 30 3HD2 LEU 30 -6.656 -3.829 2.183 195 H ASP 31 H ASP 31 -10.033 -8.208 1.402 196 HA ASP 31 HA ASP 31 -11.872 -7.393 -0.752 197 HB2 ASP 31 1HB ASP 31 -12.032 -9.995 0.778 198 HB3 ASP 31 2HB ASP 31 -12.997 -9.514 -0.614 199 H LEU 32 H LEU 32 -13.982 -6.869 -0.161 200 HA LEU 32 HA LEU 32 -14.566 -6.764 2.713 201 HB2 LEU 32 1HB LEU 32 -15.037 -4.477 0.809 202 HB3 LEU 32 2HB LEU 32 -15.390 -4.502 2.536 203 HG LEU 32 HG LEU 32 -12.625 -4.635 1.332 204 HD11 LEU 32 1HD1 LEU 32 -13.070 -2.457 0.930 205 HD12 LEU 32 2HD1 LEU 32 -12.685 -2.304 2.644 206 HD13 LEU 32 3HD1 LEU 32 -14.367 -2.385 2.123 207 HD21 LEU 32 1HD2 LEU 32 -13.389 -5.548 3.760 208 HD22 LEU 32 2HD2 LEU 32 -13.042 -3.861 4.140 209 HD23 LEU 32 3HD2 LEU 32 -11.796 -4.876 3.410 210 H SER 33 H SER 33 -16.897 -6.275 3.135 211 HA SER 33 HA SER 33 -18.534 -7.760 1.217 212 HB2 SER 33 1HB SER 33 -18.362 -8.187 3.820 213 HB3 SER 33 2HB SER 33 -19.563 -6.899 3.891 214 HG SER 33 HG SER 33 -19.763 -9.333 2.445 215 H THR 34 H THR 34 -17.703 -4.708 1.459 216 HA THR 34 HA THR 34 -19.991 -3.715 0.110 217 HB THR 34 HB THR 34 -20.936 -3.666 2.379 218 HG1 THR 34 1HG THR 34 -21.374 -1.958 0.796 219 HG21 THR 34 1HG2 THR 34 -19.258 -1.473 3.337 220 HG22 THR 34 2HG2 THR 34 -18.398 -3.006 3.195 221 HG23 THR 34 3HG2 THR 34 -19.851 -2.899 4.188 222 H ILE 35 H ILE 35 -19.669 -1.632 -0.755 223 HA ILE 35 HA ILE 35 -17.037 -0.953 -1.371 224 HB ILE 35 HB ILE 35 -19.481 0.819 -1.476 225 HG12 ILE 35 1HG1 ILE 35 -18.193 -0.762 -3.705 226 HG13 ILE 35 2HG1 ILE 35 -19.553 -1.361 -2.761 227 HG21 ILE 35 1HG2 ILE 35 -17.977 1.801 -3.410 228 HG22 ILE 35 2HG2 ILE 35 -17.815 2.355 -1.744 229 HG23 ILE 35 3HG2 ILE 35 -16.678 1.175 -2.395 230 HD11 ILE 35 1HD1 ILE 35 -19.754 0.021 -5.085 231 HD12 ILE 35 2HD1 ILE 35 -21.024 -0.096 -3.867 232 HD13 ILE 35 3HD1 ILE 35 -19.954 1.305 -3.893 233 H ILE 36 H ILE 36 -15.721 0.803 -0.754 234 HA ILE 36 HA ILE 36 -16.358 2.628 1.296 235 HB ILE 36 HB ILE 36 -16.200 0.437 2.596 236 HG12 ILE 36 1HG1 ILE 36 -14.302 2.653 3.395 237 HG13 ILE 36 2HG1 ILE 36 -16.050 2.719 3.591 238 HG21 ILE 36 1HG2 ILE 36 -14.284 -0.513 1.461 239 HG22 ILE 36 2HG2 ILE 36 -13.276 0.836 1.981 240 HG23 ILE 36 3HG2 ILE 36 -13.920 -0.294 3.172 241 HD11 ILE 36 1HD1 ILE 36 -15.978 0.858 5.127 242 HD12 ILE 36 2HD1 ILE 36 -14.239 0.693 4.881 243 HD13 ILE 36 3HD1 ILE 36 -14.886 2.135 5.664 244 H GLN 37 H GLN 37 -14.687 4.108 1.704 245 HA GLN 37 HA GLN 37 -12.287 3.758 0.031 246 HB2 GLN 37 1HB GLN 37 -13.713 5.402 -1.010 247 HB3 GLN 37 2HB GLN 37 -13.903 6.263 0.511 248 HG2 GLN 37 1HG GLN 37 -11.520 6.821 0.488 249 HG3 GLN 37 2HG GLN 37 -11.347 5.977 -1.051 250 HE21 GLN 37 1HE2 GLN 37 -12.706 6.780 -2.838 251 HE22 GLN 37 2HE2 GLN 37 -12.987 8.481 -2.947 252 H GLY 38 H GLY 38 -11.164 2.942 1.869 253 HA2 GLY 38 1HA GLY 38 -10.876 4.643 4.200 254 HA3 GLY 38 2HA GLY 38 -10.113 3.080 3.945 255 H THR 39 H THR 39 -8.096 3.817 4.633 256 HA THR 39 HA THR 39 -6.672 5.406 2.623 257 HB THR 39 HB THR 39 -6.626 5.927 5.597 258 HG1 THR 39 1HG THR 39 -8.223 7.058 4.435 259 HG21 THR 39 1HG2 THR 39 -4.540 6.302 3.589 260 HG22 THR 39 2HG2 THR 39 -4.443 6.377 5.349 261 HG23 THR 39 3HG2 THR 39 -4.968 7.790 4.434 262 H TRP 40 H TRP 40 -4.604 4.756 2.230 263 HA TRP 40 HA TRP 40 -3.801 2.227 3.411 264 HB2 TRP 40 1HB TRP 40 -2.847 3.850 1.066 265 HB3 TRP 40 2HB TRP 40 -1.885 2.513 1.690 266 HD1 TRP 40 HD TRP 40 -5.071 3.258 -0.254 267 HE1 TRP 40 1HE TRP 40 -5.971 1.064 -1.253 268 HE3 TRP 40 3HE TRP 40 -1.963 -0.044 2.106 269 HZ2 TRP 40 2HZ TRP 40 -5.436 -1.701 -1.065 270 HZ3 TRP 40 3HZ TRP 40 -2.223 -2.446 1.642 271 HH2 TRP 40 HH TRP 40 -3.924 -3.256 0.090 272 H PHE 41 H PHE 41 -1.821 1.854 4.443 273 HA PHE 41 HA PHE 41 -0.336 4.243 5.297 274 HB2 PHE 41 1HB PHE 41 -1.601 2.133 7.002 275 HB3 PHE 41 2HB PHE 41 -0.104 2.887 7.542 276 HD1 PHE 41 2HD PHE 41 -3.570 3.645 6.462 277 HD2 PHE 41 1HD PHE 41 -0.133 4.961 8.601 278 HE1 PHE 41 2HE PHE 41 -4.855 5.545 7.351 279 HE2 PHE 41 1HE PHE 41 -1.413 6.862 9.495 280 HZ PHE 41 HZ PHE 41 -3.777 7.157 8.869 281 H LEU 42 H LEU 42 1.834 4.038 5.305 282 HA LEU 42 HA LEU 42 2.944 1.353 4.810 283 HB2 LEU 42 1HB LEU 42 2.933 3.155 2.924 284 HB3 LEU 42 2HB LEU 42 4.282 3.839 3.830 285 HG LEU 42 HG LEU 42 5.041 2.441 1.971 286 HD11 LEU 42 1HD1 LEU 42 6.718 1.310 3.138 287 HD12 LEU 42 2HD1 LEU 42 5.668 0.985 4.517 288 HD13 LEU 42 3HD1 LEU 42 6.249 2.623 4.218 289 HD21 LEU 42 1HD2 LEU 42 4.182 0.445 1.491 290 HD22 LEU 42 2HD2 LEU 42 2.934 0.790 2.689 291 HD23 LEU 42 3HD2 LEU 42 4.374 -0.119 3.151 292 H ASN 43 H ASN 43 4.604 0.706 6.059 293 HA ASN 43 HA ASN 43 5.933 0.651 7.918 294 HB2 ASN 43 1HB ASN 43 6.775 3.147 6.469 295 HB3 ASN 43 2HB ASN 43 7.567 2.670 7.968 296 HD21 ASN 43 1HD2 ASN 43 8.041 2.651 4.840 297 HD22 ASN 43 2HD2 ASN 43 8.892 1.162 4.627 298 H GLY 44 H GLY 44 3.318 1.683 8.408 299 HA2 GLY 44 1HA GLY 44 2.358 2.384 10.430 300 HA3 GLY 44 2HA GLY 44 3.889 3.124 10.875 301 H GLU 45 H GLU 45 4.003 4.456 8.183 302 HA GLU 45 HA GLU 45 2.541 6.822 8.967 303 HB2 GLU 45 1HB GLU 45 4.592 6.172 6.895 304 HB3 GLU 45 2HB GLU 45 3.603 7.610 6.681 305 HG2 GLU 45 1HG GLU 45 5.156 7.061 9.192 306 HG3 GLU 45 2HG GLU 45 5.827 7.937 7.817 307 H GLU 46 H GLU 46 1.406 8.074 7.153 308 HA GLU 46 HA GLU 46 -0.507 6.242 5.897 309 HB2 GLU 46 1HB GLU 46 -1.373 8.005 7.420 310 HB3 GLU 46 2HB GLU 46 -0.728 9.225 6.331 311 HG2 GLU 46 1HG GLU 46 -2.572 7.189 5.210 312 HG3 GLU 46 2HG GLU 46 -3.247 8.456 6.233 313 H LEU 47 H LEU 47 -1.111 6.456 3.722 314 HA LEU 47 HA LEU 47 0.955 7.687 2.045 315 HB2 LEU 47 1HB LEU 47 -1.080 5.536 1.517 316 HB3 LEU 47 2HB LEU 47 -0.111 6.270 0.241 317 HG LEU 47 HG LEU 47 1.121 4.885 2.611 318 HD11 LEU 47 1HD1 LEU 47 1.121 3.431 0.083 319 HD12 LEU 47 2HD1 LEU 47 -0.483 3.610 0.793 320 HD13 LEU 47 3HD1 LEU 47 0.814 2.860 1.723 321 HD21 LEU 47 1HD2 LEU 47 2.734 6.198 1.564 322 HD22 LEU 47 2HD2 LEU 47 2.088 5.881 -0.046 323 HD23 LEU 47 3HD2 LEU 47 2.951 4.612 0.823 324 H LYS 48 H LYS 48 0.515 9.604 1.203 325 HA LYS 48 HA LYS 48 -2.206 10.570 1.035 326 HB2 LYS 48 1HB LYS 48 0.497 11.786 0.540 327 HB3 LYS 48 2HB LYS 48 -0.968 12.617 0.036 328 HG2 LYS 48 1HG LYS 48 -1.773 12.622 2.333 329 HG3 LYS 48 2HG LYS 48 -0.326 11.752 2.849 330 HD2 LYS 48 1HD LYS 48 0.968 13.719 1.803 331 HD3 LYS 48 2HD LYS 48 -0.578 14.571 1.852 332 HE2 LYS 48 1HE LYS 48 -0.622 13.808 4.334 333 HE3 LYS 48 2HE LYS 48 1.112 13.575 4.113 334 HZ1 LYS 48 1HZ LYS 48 0.698 16.033 3.074 335 HZ2 LYS 48 2HZ LYS 48 1.253 15.723 4.641 336 HZ3 LYS 48 3HZ LYS 48 -0.391 16.014 4.369 337 H SER 49 H SER 49 -3.461 10.514 -0.709 338 HA SER 49 HA SER 49 -2.454 9.370 -3.159 339 HB2 SER 49 1HB SER 49 -4.749 9.309 -3.877 340 HB3 SER 49 2HB SER 49 -4.709 8.818 -2.184 341 HG SER 49 HG SER 49 -6.305 10.518 -2.994 342 H ASN 50 H ASN 50 -1.209 11.796 -2.637 343 HA ASN 50 HA ASN 50 -2.126 13.364 -4.935 344 HB2 ASN 50 1HB ASN 50 -3.019 14.507 -2.965 345 HB3 ASN 50 2HB ASN 50 -1.416 14.536 -2.236 346 HD21 ASN 50 1HD2 ASN 50 -3.331 15.709 -4.938 347 HD22 ASN 50 2HD2 ASN 50 -2.394 17.132 -5.224 348 H GLU 51 H GLU 51 -0.491 14.555 -5.989 349 HA GLU 51 HA GLU 51 1.980 13.342 -6.214 350 HB2 GLU 51 1HB GLU 51 2.678 15.257 -7.507 351 HB3 GLU 51 2HB GLU 51 0.997 14.900 -7.876 352 HG2 GLU 51 1HG GLU 51 0.457 16.678 -6.094 353 HG3 GLU 51 2HG GLU 51 2.136 17.172 -6.302 354 HA PRO 52 HA PRO 52 4.287 14.648 -2.700 355 HB2 PRO 52 1HB PRO 52 6.792 14.288 -3.684 356 HB3 PRO 52 2HB PRO 52 5.742 12.946 -3.215 357 HG2 PRO 52 1HG PRO 52 6.289 14.061 -5.939 358 HG3 PRO 52 2HG PRO 52 6.178 12.367 -5.425 359 HD2 PRO 52 1HD PRO 52 4.144 13.648 -6.672 360 HD3 PRO 52 2HD PRO 52 3.873 12.376 -5.463 361 H GLU 53 H GLU 53 3.920 16.834 -2.460 362 HA GLU 53 HA GLU 53 5.353 18.704 -4.185 363 HB2 GLU 53 1HB GLU 53 3.192 19.031 -2.115 364 HB3 GLU 53 2HB GLU 53 4.068 20.413 -2.760 365 HG2 GLU 53 1HG GLU 53 3.276 19.983 -4.964 366 HG3 GLU 53 2HG GLU 53 2.584 18.438 -4.473 367 H GLY 54 H GLY 54 7.475 18.223 -3.422 368 HA2 GLY 54 1HA GLY 54 8.356 19.936 -1.348 369 HA3 GLY 54 2HA GLY 54 8.316 18.278 -0.766 370 H GLN 55 H GLN 55 10.677 18.838 -0.526 371 HA GLN 55 HA GLN 55 12.396 19.218 -2.676 372 HB2 GLN 55 1HB GLN 55 14.153 18.275 -1.220 373 HB3 GLN 55 2HB GLN 55 13.148 19.449 -0.381 374 HG2 GLN 55 1HG GLN 55 12.593 16.512 -0.202 375 HG3 GLN 55 2HG GLN 55 13.780 17.294 0.841 376 HE21 GLN 55 1HE2 GLN 55 10.898 16.101 1.032 377 HE22 GLN 55 2HE2 GLN 55 10.096 17.239 2.055 378 H VAL 56 H VAL 56 10.521 16.499 -1.890 379 HA VAL 56 HA VAL 56 12.200 14.487 -3.037 380 HB VAL 56 HB VAL 56 9.248 14.488 -2.403 381 HG11 VAL 56 1HG1 VAL 56 10.139 11.858 -2.531 382 HG12 VAL 56 2HG1 VAL 56 9.087 12.677 -3.688 383 HG13 VAL 56 3HG1 VAL 56 10.830 12.633 -3.957 384 HG21 VAL 56 1HG2 VAL 56 10.157 14.419 -0.333 385 HG22 VAL 56 2HG2 VAL 56 10.354 12.710 -0.721 386 HG23 VAL 56 3HG2 VAL 56 11.711 13.820 -0.915 387 H GLU 57 H GLU 57 12.503 14.031 -5.113 388 HA GLU 57 HA GLU 57 11.378 15.552 -7.189 389 HB2 GLU 57 1HB GLU 57 12.429 13.883 -8.699 390 HB3 GLU 57 2HB GLU 57 13.529 14.498 -7.473 391 HG2 GLU 57 1HG GLU 57 12.885 12.412 -6.131 392 HG3 GLU 57 2HG GLU 57 12.240 11.804 -7.654 393 HA PRO 58 HA PRO 58 7.500 13.592 -7.892 394 HB2 PRO 58 1HB PRO 58 7.113 14.334 -10.475 395 HB3 PRO 58 2HB PRO 58 6.953 15.456 -9.118 396 HG2 PRO 58 1HG PRO 58 9.257 15.062 -10.989 397 HG3 PRO 58 2HG PRO 58 8.555 16.573 -10.382 398 HD2 PRO 58 1HD PRO 58 10.819 15.501 -9.353 399 HD3 PRO 58 2HD PRO 58 9.668 16.428 -8.369 400 H GLY 59 H GLY 59 10.369 12.512 -9.117 401 HA2 GLY 59 1HA GLY 59 9.035 10.232 -10.434 402 HA3 GLY 59 2HA GLY 59 10.463 10.976 -11.139 403 H ALA 60 H ALA 60 9.734 10.175 -7.757 404 HA ALA 60 HA ALA 60 12.242 8.651 -7.671 405 HB1 ALA 60 1HB ALA 60 10.633 9.555 -5.298 406 HB2 ALA 60 2HB ALA 60 12.325 9.058 -5.349 407 HB3 ALA 60 3HB ALA 60 11.831 10.583 -6.085 408 H LEU 61 H LEU 61 9.157 8.438 -5.896 409 HA LEU 61 HA LEU 61 9.351 5.522 -6.023 410 HB2 LEU 61 1HB LEU 61 9.013 6.435 -3.828 411 HB3 LEU 61 2HB LEU 61 7.622 7.365 -4.384 412 HG LEU 61 HG LEU 61 7.529 4.392 -4.584 413 HD11 LEU 61 1HD1 LEU 61 6.363 5.073 -2.132 414 HD12 LEU 61 2HD1 LEU 61 7.965 5.810 -2.127 415 HD13 LEU 61 3HD1 LEU 61 7.793 4.077 -2.405 416 HD21 LEU 61 1HD2 LEU 61 5.133 4.915 -3.965 417 HD22 LEU 61 2HD2 LEU 61 5.683 5.525 -5.526 418 HD23 LEU 61 3HD2 LEU 61 5.554 6.618 -4.147 419 H ARG 62 H ARG 62 7.718 4.218 -6.835 420 HA ARG 62 HA ARG 62 5.566 5.579 -8.309 421 HB2 ARG 62 1HB ARG 62 5.922 3.573 -9.975 422 HB3 ARG 62 2HB ARG 62 6.893 5.033 -10.107 423 HG2 ARG 62 1HG ARG 62 8.478 3.665 -8.476 424 HG3 ARG 62 2HG ARG 62 7.667 2.306 -9.257 425 HD2 ARG 62 1HD ARG 62 9.357 2.578 -10.746 426 HD3 ARG 62 2HD ARG 62 8.229 3.749 -11.426 427 HE ARG 62 HE ARG 62 10.016 4.855 -9.462 428 HH11 ARG 62 2HH1 ARG 62 9.575 4.072 -12.825 429 HH12 ARG 62 1HH1 ARG 62 10.729 5.238 -13.382 430 HH21 ARG 62 2HH2 ARG 62 11.537 6.394 -10.183 431 HH22 ARG 62 1HH2 ARG 62 11.845 6.558 -11.878 432 H TYR 63 H TYR 63 3.633 4.876 -7.715 433 HA TYR 63 HA TYR 63 3.282 2.063 -6.984 434 HB2 TYR 63 1HB TYR 63 1.972 2.656 -5.002 435 HB3 TYR 63 2HB TYR 63 3.614 3.274 -4.873 436 HD1 TYR 63 1HD TYR 63 3.784 5.763 -6.044 437 HD2 TYR 63 2HD TYR 63 0.360 4.067 -4.172 438 HE1 TYR 63 1HE TYR 63 2.905 8.020 -5.621 439 HE2 TYR 63 2HE TYR 63 -0.529 6.320 -3.745 440 HH TYR 63 HH TYR 63 1.368 9.170 -4.249 441 H ARG 64 H ARG 64 0.753 1.807 -6.461 442 HA ARG 64 HA ARG 64 -0.910 3.425 -8.192 443 HB2 ARG 64 1HB ARG 64 0.203 1.639 -9.636 444 HB3 ARG 64 2HB ARG 64 -0.752 0.466 -8.739 445 HG2 ARG 64 1HG ARG 64 -2.782 1.849 -9.439 446 HG3 ARG 64 2HG ARG 64 -1.695 2.616 -10.599 447 HD2 ARG 64 1HD ARG 64 -1.970 -0.368 -10.417 448 HD3 ARG 64 2HD ARG 64 -3.068 0.606 -11.394 449 HE ARG 64 HE ARG 64 -0.539 1.359 -12.159 450 HH11 ARG 64 2HH1 ARG 64 -2.364 -1.604 -12.076 451 HH12 ARG 64 1HH1 ARG 64 -1.552 -2.295 -13.442 452 HH21 ARG 64 2HH2 ARG 64 0.538 0.460 -13.958 453 HH22 ARG 64 1HH2 ARG 64 0.099 -1.120 -14.511 454 H ILE 65 H ILE 65 -2.726 3.748 -7.106 455 HA ILE 65 HA ILE 65 -3.636 1.668 -5.229 456 HB ILE 65 HB ILE 65 -4.079 4.652 -5.189 457 HG12 ILE 65 1HG1 ILE 65 -2.742 2.795 -3.209 458 HG13 ILE 65 2HG1 ILE 65 -1.896 3.834 -4.350 459 HG21 ILE 65 1HG2 ILE 65 -5.788 2.609 -4.222 460 HG22 ILE 65 2HG2 ILE 65 -5.040 3.391 -2.831 461 HG23 ILE 65 3HG2 ILE 65 -5.933 4.353 -4.008 462 HD11 ILE 65 1HD1 ILE 65 -3.445 4.575 -1.911 463 HD12 ILE 65 2HD1 ILE 65 -1.814 5.045 -2.392 464 HD13 ILE 65 3HD1 ILE 65 -3.211 5.743 -3.211 465 H GLU 66 H GLU 66 -4.990 0.454 -6.473 466 HA GLU 66 HA GLU 66 -7.059 1.801 -8.040 467 HB2 GLU 66 1HB GLU 66 -6.367 -1.137 -7.868 468 HB3 GLU 66 2HB GLU 66 -7.524 -0.415 -8.976 469 HG2 GLU 66 1HG GLU 66 -4.624 0.356 -8.938 470 HG3 GLU 66 2HG GLU 66 -5.248 -0.972 -9.915 471 H GLN 67 H GLN 67 -8.975 2.173 -7.166 472 HA GLN 67 HA GLN 67 -9.915 0.386 -5.020 473 HB2 GLN 67 1HB GLN 67 -9.353 2.859 -4.488 474 HB3 GLN 67 2HB GLN 67 -10.848 3.223 -5.339 475 HG2 GLN 67 1HG GLN 67 -11.781 1.365 -3.685 476 HG3 GLN 67 2HG GLN 67 -10.421 1.928 -2.714 477 HE21 GLN 67 1HE2 GLN 67 -13.579 2.277 -3.028 478 HE22 GLN 67 2HE2 GLN 67 -13.780 3.931 -2.572 479 H LYS 68 H LYS 68 -11.450 -0.914 -5.762 480 HA LYS 68 HA LYS 68 -13.493 0.219 -7.558 481 HB2 LYS 68 1HB LYS 68 -12.115 -2.453 -7.658 482 HB3 LYS 68 2HB LYS 68 -13.695 -2.216 -8.394 483 HG2 LYS 68 1HG LYS 68 -11.539 -0.297 -9.084 484 HG3 LYS 68 2HG LYS 68 -11.457 -1.925 -9.761 485 HD2 LYS 68 1HD LYS 68 -12.701 -0.905 -11.382 486 HD3 LYS 68 2HD LYS 68 -14.000 -1.431 -10.309 487 HE2 LYS 68 1HE LYS 68 -14.215 0.733 -9.365 488 HE3 LYS 68 2HE LYS 68 -12.713 1.281 -10.107 489 HZ1 LYS 68 1HZ LYS 68 -13.944 2.037 -11.769 490 HZ2 LYS 68 2HZ LYS 68 -15.344 1.300 -11.169 491 HZ3 LYS 68 3HZ LYS 68 -14.305 0.438 -12.188 492 H GLY 69 H GLY 69 -14.690 0.689 -5.601 493 HA2 GLY 69 1HA GLY 69 -16.401 0.238 -4.138 494 HA3 GLY 69 2HA GLY 69 -16.624 -1.272 -5.009 495 H LEU 70 H LEU 70 -16.354 -3.057 -3.858 496 HA LEU 70 HA LEU 70 -15.055 -2.883 -1.257 497 HB2 LEU 70 1HB LEU 70 -15.893 -5.403 -1.316 498 HB3 LEU 70 2HB LEU 70 -16.952 -4.057 -0.900 499 HG LEU 70 HG LEU 70 -16.828 -4.896 -3.749 500 HD11 LEU 70 1HD1 LEU 70 -17.417 -6.997 -3.352 501 HD12 LEU 70 2HD1 LEU 70 -18.895 -6.390 -2.608 502 HD13 LEU 70 3HD1 LEU 70 -17.475 -6.709 -1.613 503 HD21 LEU 70 1HD2 LEU 70 -18.890 -3.928 -3.877 504 HD22 LEU 70 2HD2 LEU 70 -18.213 -2.996 -2.542 505 HD23 LEU 70 3HD2 LEU 70 -19.311 -4.337 -2.214 506 H GLN 71 H GLN 71 -13.337 -2.693 -3.496 507 HA GLN 71 HA GLN 71 -11.607 -4.967 -2.940 508 HB2 GLN 71 1HB GLN 71 -13.089 -5.292 -5.085 509 HB3 GLN 71 2HB GLN 71 -11.932 -4.184 -5.810 510 HG2 GLN 71 1HG GLN 71 -10.141 -5.667 -5.479 511 HG3 GLN 71 2HG GLN 71 -11.073 -6.668 -4.367 512 HE21 GLN 71 1HE2 GLN 71 -10.486 -8.465 -5.683 513 HE22 GLN 71 2HE2 GLN 71 -11.334 -8.787 -7.153 514 H HIS 72 H HIS 72 -9.875 -3.954 -2.160 515 HA HIS 72 HA HIS 72 -8.915 -1.541 -3.545 516 HB2 HIS 72 1HB HIS 72 -8.359 -2.467 -0.719 517 HB3 HIS 72 2HB HIS 72 -7.743 -0.989 -1.452 518 HD2 HIS 72 2HD HIS 72 -11.247 -2.449 -0.366 519 HE1 HIS 72 1HE HIS 72 -11.438 1.788 -0.438 520 HE2 HIS 72 2HE HIS 72 -12.631 -0.338 0.195 521 H ARG 73 H ARG 73 -6.574 -1.261 -3.691 522 HA ARG 73 HA ARG 73 -4.835 -3.500 -3.315 523 HB2 ARG 73 1HB ARG 73 -6.094 -4.136 -5.391 524 HB3 ARG 73 2HB ARG 73 -5.427 -2.707 -6.169 525 HG2 ARG 73 1HG ARG 73 -3.227 -3.560 -6.069 526 HG3 ARG 73 2HG ARG 73 -3.704 -4.852 -4.965 527 HD2 ARG 73 1HD ARG 73 -3.433 -5.802 -7.141 528 HD3 ARG 73 2HD ARG 73 -5.157 -5.763 -6.774 529 HE ARG 73 HE ARG 73 -4.200 -3.483 -8.256 530 HH11 ARG 73 2HH1 ARG 73 -5.499 -6.708 -8.436 531 HH12 ARG 73 1HH1 ARG 73 -6.119 -6.509 -10.041 532 HH21 ARG 73 2HH2 ARG 73 -5.011 -3.209 -10.370 533 HH22 ARG 73 1HH2 ARG 73 -5.840 -4.519 -11.141 534 H LEU 74 H LEU 74 -2.738 -2.867 -3.241 535 HA LEU 74 HA LEU 74 -2.045 -0.220 -4.304 536 HB2 LEU 74 1HB LEU 74 -2.421 0.270 -2.043 537 HB3 LEU 74 2HB LEU 74 -1.666 -1.229 -1.505 538 HG LEU 74 HG LEU 74 0.514 -0.216 -2.431 539 HD11 LEU 74 1HD1 LEU 74 0.600 2.210 -2.457 540 HD12 LEU 74 2HD1 LEU 74 -1.133 2.293 -2.141 541 HD13 LEU 74 3HD1 LEU 74 -0.546 1.619 -3.661 542 HD21 LEU 74 1HD2 LEU 74 -0.793 1.011 -0.005 543 HD22 LEU 74 2HD2 LEU 74 0.938 0.920 -0.328 544 HD23 LEU 74 3HD2 LEU 74 0.014 -0.556 -0.051 545 H ILE 75 H ILE 75 -0.732 -0.919 -5.915 546 HA ILE 75 HA ILE 75 1.312 -2.920 -5.345 547 HB ILE 75 HB ILE 75 0.915 -1.528 -7.981 548 HG12 ILE 75 1HG1 ILE 75 -0.392 -3.861 -8.340 549 HG13 ILE 75 2HG1 ILE 75 -0.785 -3.560 -6.651 550 HG21 ILE 75 1HG2 ILE 75 1.943 -3.485 -8.905 551 HG22 ILE 75 2HG2 ILE 75 2.953 -2.900 -7.584 552 HG23 ILE 75 3HG2 ILE 75 1.908 -4.299 -7.341 553 HD11 ILE 75 1HD1 ILE 75 -2.508 -2.438 -7.547 554 HD12 ILE 75 2HD1 ILE 75 -1.319 -1.144 -7.696 555 HD13 ILE 75 3HD1 ILE 75 -1.679 -2.174 -9.081 556 H LEU 76 H LEU 76 3.375 -2.445 -4.946 557 HA LEU 76 HA LEU 76 4.257 0.335 -5.349 558 HB2 LEU 76 1HB LEU 76 5.376 -1.715 -3.445 559 HB3 LEU 76 2HB LEU 76 5.837 -0.018 -3.556 560 HG LEU 76 HG LEU 76 3.066 -0.906 -2.786 561 HD11 LEU 76 1HD1 LEU 76 5.542 -0.668 -1.152 562 HD12 LEU 76 2HD1 LEU 76 4.209 -1.815 -1.024 563 HD13 LEU 76 3HD1 LEU 76 4.005 -0.159 -0.452 564 HD21 LEU 76 1HD2 LEU 76 3.626 1.460 -3.636 565 HD22 LEU 76 2HD2 LEU 76 4.438 1.663 -2.083 566 HD23 LEU 76 3HD2 LEU 76 2.713 1.299 -2.136 567 H HIS 77 H HIS 77 5.143 0.271 -7.364 568 HA HIS 77 HA HIS 77 6.926 -1.869 -8.142 569 HB2 HIS 77 1HB HIS 77 6.655 0.652 -9.725 570 HB3 HIS 77 2HB HIS 77 6.822 -1.009 -10.286 571 HD1 HIS 77 1HD HIS 77 4.695 -2.320 -10.713 572 HD2 HIS 77 2HD HIS 77 4.005 1.383 -8.959 573 HE1 HIS 77 1HE HIS 77 2.207 -1.974 -10.831 574 HE2 HIS 77 2HE HIS 77 1.822 0.310 -9.840 575 H ALA 78 H ALA 78 9.093 -1.853 -8.083 576 HA ALA 78 HA ALA 78 11.247 -1.126 -7.842 577 HB1 ALA 78 1HB ALA 78 11.033 1.681 -7.585 578 HB2 ALA 78 2HB ALA 78 11.596 0.749 -8.973 579 HB3 ALA 78 3HB ALA 78 9.891 1.176 -8.830 580 H VAL 79 H VAL 79 10.161 -2.062 -5.647 581 HA VAL 79 HA VAL 79 10.016 -0.239 -3.464 582 HB VAL 79 HB VAL 79 10.111 -2.289 -2.043 583 HG11 VAL 79 1HG1 VAL 79 7.911 -2.584 -2.353 584 HG12 VAL 79 2HG1 VAL 79 8.076 -1.350 -3.604 585 HG13 VAL 79 3HG1 VAL 79 8.116 -3.059 -4.039 586 HG21 VAL 79 1HG2 VAL 79 9.719 -4.366 -3.777 587 HG22 VAL 79 2HG2 VAL 79 10.985 -3.441 -4.585 588 HG23 VAL 79 3HG2 VAL 79 11.229 -4.015 -2.936 589 H LYS 80 H LYS 80 11.456 -0.220 -1.608 590 HA LYS 80 HA LYS 80 14.266 -0.562 -2.417 591 HB2 LYS 80 1HB LYS 80 13.275 1.214 -0.192 592 HB3 LYS 80 2HB LYS 80 14.845 1.243 -0.984 593 HG2 LYS 80 1HG LYS 80 12.268 1.893 -2.390 594 HG3 LYS 80 2HG LYS 80 13.293 3.101 -1.612 595 HD2 LYS 80 1HD LYS 80 14.218 1.221 -3.783 596 HD3 LYS 80 2HD LYS 80 13.677 2.878 -4.063 597 HE2 LYS 80 1HE LYS 80 15.467 3.494 -2.292 598 HE3 LYS 80 2HE LYS 80 16.126 1.898 -2.645 599 HZ1 LYS 80 1HZ LYS 80 15.533 3.370 -5.021 600 HZ2 LYS 80 2HZ LYS 80 16.975 2.620 -4.552 601 HZ3 LYS 80 3HZ LYS 80 16.632 4.193 -4.032 602 H HIS 81 H HIS 81 15.766 -1.399 -0.918 603 HA HIS 81 HA HIS 81 14.684 -3.436 0.790 604 HB2 HIS 81 1HB HIS 81 16.692 -3.924 -0.456 605 HB3 HIS 81 2HB HIS 81 17.523 -2.545 0.257 606 HD1 HIS 81 1HD HIS 81 16.058 -5.883 1.306 607 HD2 HIS 81 2HD HIS 81 18.907 -3.118 2.530 608 HE1 HIS 81 1HE HIS 81 17.248 -6.956 3.245 609 HE2 HIS 81 2HE HIS 81 18.909 -5.230 4.022 610 H GLN 82 H GLN 82 16.149 -0.282 1.221 611 HA GLN 82 HA GLN 82 16.797 -0.347 3.908 612 HB2 GLN 82 1HB GLN 82 16.467 2.095 3.893 613 HB3 GLN 82 2HB GLN 82 17.362 1.540 2.484 614 HG2 GLN 82 1HG GLN 82 15.577 1.916 1.045 615 HG3 GLN 82 2HG GLN 82 14.402 1.950 2.359 616 HE21 GLN 82 1HE2 GLN 82 13.807 3.937 1.122 617 HE22 GLN 82 2HE2 GLN 82 14.585 5.413 1.572 618 H ASP 83 H ASP 83 13.699 -0.425 2.427 619 HA ASP 83 HA ASP 83 12.373 0.185 4.976 620 HB2 ASP 83 1HB ASP 83 11.216 -0.043 2.189 621 HB3 ASP 83 2HB ASP 83 10.305 0.368 3.640 622 H SER 84 H SER 84 13.782 -2.337 4.322 623 HA SER 84 HA SER 84 12.244 -4.470 3.627 624 HB2 SER 84 1HB SER 84 13.642 -5.847 5.066 625 HB3 SER 84 2HB SER 84 14.631 -4.599 4.310 626 HG SER 84 HG SER 84 13.687 -4.725 6.972 627 H GLY 85 H GLY 85 11.084 -6.084 4.898 628 HA2 GLY 85 1HA GLY 85 9.141 -6.491 6.098 629 HA3 GLY 85 2HA GLY 85 10.190 -6.041 7.434 630 H ALA 86 H ALA 86 8.729 -4.113 4.825 631 HA ALA 86 HA ALA 86 8.093 -1.966 6.568 632 HB1 ALA 86 1HB ALA 86 7.014 -0.958 4.669 633 HB2 ALA 86 2HB ALA 86 8.516 -1.716 4.138 634 HB3 ALA 86 3HB ALA 86 6.970 -2.505 3.823 635 H LEU 87 H LEU 87 5.771 -1.071 6.596 636 HA LEU 87 HA LEU 87 3.948 -3.272 7.309 637 HB2 LEU 87 1HB LEU 87 4.880 -1.470 9.022 638 HB3 LEU 87 2HB LEU 87 3.537 -0.530 8.374 639 HG LEU 87 HG LEU 87 2.793 -1.574 10.378 640 HD11 LEU 87 1HD1 LEU 87 1.272 -1.575 8.379 641 HD12 LEU 87 2HD1 LEU 87 0.893 -2.771 9.617 642 HD13 LEU 87 3HD1 LEU 87 1.713 -3.265 8.136 643 HD21 LEU 87 1HD2 LEU 87 2.869 -4.002 10.706 644 HD22 LEU 87 2HD2 LEU 87 4.485 -3.311 10.553 645 HD23 LEU 87 3HD2 LEU 87 3.762 -4.174 9.194 646 H VAL 88 H VAL 88 2.543 -3.545 5.697 647 HA VAL 88 HA VAL 88 1.396 -1.156 4.412 648 HB VAL 88 HB VAL 88 1.360 -3.975 3.334 649 HG11 VAL 88 1HG1 VAL 88 1.139 -1.653 1.544 650 HG12 VAL 88 2HG1 VAL 88 0.252 -3.178 1.543 651 HG13 VAL 88 3HG1 VAL 88 -0.218 -1.885 2.647 652 HG21 VAL 88 1HG2 VAL 88 3.523 -3.712 2.872 653 HG22 VAL 88 2HG2 VAL 88 3.042 -2.449 1.738 654 HG23 VAL 88 3HG2 VAL 88 3.500 -2.025 3.387 655 H GLY 89 H GLY 89 -0.470 -0.636 5.370 656 HA2 GLY 89 1HA GLY 89 -2.498 -2.746 5.632 657 HA3 GLY 89 2HA GLY 89 -2.146 -1.729 7.021 658 H PHE 90 H PHE 90 -4.673 -2.000 5.690 659 HA PHE 90 HA PHE 90 -4.994 0.730 4.627 660 HB2 PHE 90 1HB PHE 90 -5.592 -0.630 2.831 661 HB3 PHE 90 2HB PHE 90 -6.309 -1.857 3.871 662 HD1 PHE 90 2HD PHE 90 -6.798 1.535 2.488 663 HD2 PHE 90 1HD PHE 90 -8.596 -1.814 4.403 664 HE1 PHE 90 2HE PHE 90 -9.024 2.505 2.088 665 HE2 PHE 90 1HE PHE 90 -10.825 -0.850 4.006 666 HZ PHE 90 HZ PHE 90 -11.040 1.313 2.848 667 H SER 91 H SER 91 -5.727 1.946 6.254 668 HA SER 91 HA SER 91 -7.517 0.852 8.253 669 HB2 SER 91 1HB SER 91 -7.268 2.995 9.377 670 HB3 SER 91 2HB SER 91 -5.681 2.411 8.877 671 HG SER 91 HG SER 91 -6.871 4.707 8.249 672 H CYS 92 H CYS 92 -9.662 1.084 8.309 673 HA CYS 92 HA CYS 92 -10.936 3.175 6.712 674 HB2 CYS 92 1HB CYS 92 -12.168 1.787 5.376 675 HB3 CYS 92 2HB CYS 92 -10.752 0.764 5.585 676 HG CYS 92 HG CYS 92 -13.612 0.487 7.445 677 HA PRO 93 HA PRO 93 -13.658 3.578 10.126 678 HB2 PRO 93 1HB PRO 93 -15.974 4.299 8.906 679 HB3 PRO 93 2HB PRO 93 -14.581 5.379 9.039 680 HG2 PRO 93 1HG PRO 93 -15.461 3.697 6.724 681 HG3 PRO 93 2HG PRO 93 -14.868 5.368 6.731 682 HD2 PRO 93 1HD PRO 93 -13.297 3.269 6.055 683 HD3 PRO 93 2HD PRO 93 -12.660 4.718 6.859 684 H GLY 94 H GLY 94 -13.533 1.194 10.497 685 HA2 GLY 94 1HA GLY 94 -15.685 -0.054 11.317 686 HA3 GLY 94 2HA GLY 94 -15.895 -0.284 9.587 687 H VAL 95 H VAL 95 -12.820 -0.381 9.458 688 HA VAL 95 HA VAL 95 -12.380 -3.025 10.638 689 HB VAL 95 HB VAL 95 -12.001 -2.378 7.713 690 HG11 VAL 95 1HG1 VAL 95 -11.226 -4.918 9.138 691 HG12 VAL 95 2HG1 VAL 95 -10.956 -4.513 7.441 692 HG13 VAL 95 3HG1 VAL 95 -10.088 -3.642 8.706 693 HG21 VAL 95 1HG2 VAL 95 -14.177 -3.433 9.087 694 HG22 VAL 95 2HG2 VAL 95 -13.898 -3.486 7.346 695 HG23 VAL 95 3HG2 VAL 95 -13.383 -4.832 8.363 696 H GLN 96 H GLN 96 -10.199 -3.564 10.971 697 HA GLN 96 HA GLN 96 -8.186 -1.555 10.309 698 HB2 GLN 96 1HB GLN 96 -8.752 -0.754 12.440 699 HB3 GLN 96 2HB GLN 96 -8.980 -2.372 13.089 700 HG2 GLN 96 1HG GLN 96 -6.271 -1.630 12.140 701 HG3 GLN 96 2HG GLN 96 -6.848 -0.916 13.645 702 HE21 GLN 96 1HE2 GLN 96 -8.166 -2.798 14.907 703 HE22 GLN 96 2HE2 GLN 96 -7.191 -4.194 15.201 704 H ASP 97 H ASP 97 -6.823 -2.764 9.153 705 HA ASP 97 HA ASP 97 -5.551 -5.035 10.451 706 HB2 ASP 97 1HB ASP 97 -7.582 -5.733 8.930 707 HB3 ASP 97 2HB ASP 97 -6.436 -5.449 7.623 708 H SER 98 H SER 98 -3.652 -5.818 9.149 709 HA SER 98 HA SER 98 -2.573 -3.982 7.198 710 HB2 SER 98 1HB SER 98 -0.629 -3.315 8.455 711 HB3 SER 98 2HB SER 98 -2.054 -2.916 9.413 712 HG SER 98 HG SER 98 -1.006 -3.996 10.894 713 H ALA 99 H ALA 99 -0.227 -4.676 6.662 714 HA ALA 99 HA ALA 99 0.111 -7.573 6.991 715 HB1 ALA 99 1HB ALA 99 -1.002 -6.720 4.745 716 HB2 ALA 99 2HB ALA 99 0.684 -6.437 4.308 717 HB3 ALA 99 3HB ALA 99 0.150 -8.055 4.764 718 H ALA 100 H ALA 100 2.313 -8.255 6.056 719 HA ALA 100 HA ALA 100 4.305 -6.216 6.809 720 HB1 ALA 100 1HB ALA 100 4.799 -7.730 8.393 721 HB2 ALA 100 2HB ALA 100 4.017 -9.051 7.522 722 HB3 ALA 100 3HB ALA 100 5.651 -8.551 7.084 723 H LEU 101 H LEU 101 5.683 -5.588 5.285 724 HA LEU 101 HA LEU 101 5.869 -7.189 2.826 725 HB2 LEU 101 1HB LEU 101 5.108 -5.079 2.231 726 HB3 LEU 101 2HB LEU 101 6.136 -4.268 3.410 727 HG LEU 101 HG LEU 101 8.093 -5.014 1.927 728 HD11 LEU 101 1HD1 LEU 101 6.540 -6.583 0.625 729 HD12 LEU 101 2HD1 LEU 101 7.690 -5.609 -0.291 730 HD13 LEU 101 3HD1 LEU 101 5.995 -5.129 -0.211 731 HD21 LEU 101 1HD2 LEU 101 7.703 -2.737 1.967 732 HD22 LEU 101 2HD2 LEU 101 6.081 -2.896 1.292 733 HD23 LEU 101 3HD2 LEU 101 7.494 -3.117 0.257 734 H THR 102 H THR 102 7.552 -8.544 3.022 735 HA THR 102 HA THR 102 10.030 -7.631 4.259 736 HB THR 102 HB THR 102 9.134 -10.346 3.290 737 HG1 THR 102 1HG THR 102 9.959 -10.225 5.840 738 HG21 THR 102 1HG2 THR 102 11.348 -10.977 4.578 739 HG22 THR 102 2HG2 THR 102 11.833 -9.356 4.080 740 HG23 THR 102 3HG2 THR 102 11.383 -10.554 2.867 741 H ILE 103 H ILE 103 11.886 -7.226 3.184 742 HA ILE 103 HA ILE 103 11.964 -7.788 0.297 743 HB ILE 103 HB ILE 103 12.932 -5.230 1.577 744 HG12 ILE 103 1HG1 ILE 103 10.670 -5.440 -0.390 745 HG13 ILE 103 2HG1 ILE 103 10.377 -5.667 1.331 746 HG21 ILE 103 1HG2 ILE 103 13.340 -6.475 -1.033 747 HG22 ILE 103 2HG2 ILE 103 12.762 -4.812 -1.122 748 HG23 ILE 103 3HG2 ILE 103 14.241 -5.185 -0.237 749 HD11 ILE 103 1HD1 ILE 103 9.958 -3.446 1.162 750 HD12 ILE 103 2HD1 ILE 103 11.692 -3.379 1.478 751 HD13 ILE 103 3HD1 ILE 103 11.089 -3.218 -0.171 752 H GLN 104 H GLN 104 13.835 -8.612 -0.448 753 HA GLN 104 HA GLN 104 16.088 -8.767 1.444 754 HB2 GLN 104 1HB GLN 104 15.356 -10.721 -0.742 755 HB3 GLN 104 2HB GLN 104 16.703 -10.880 0.377 756 HG2 GLN 104 1HG GLN 104 13.803 -10.819 1.179 757 HG3 GLN 104 2HG GLN 104 14.763 -12.282 0.965 758 HE21 GLN 104 1HE2 GLN 104 13.473 -11.609 3.346 759 HE22 GLN 104 2HE2 GLN 104 14.671 -11.309 4.555 760 H GLU 105 H GLU 105 17.739 -7.527 0.877 761 HA GLU 105 HA GLU 105 18.053 -6.126 -1.463 762 HB2 GLU 105 1HB GLU 105 20.561 -6.156 -0.839 763 HB3 GLU 105 2HB GLU 105 19.422 -5.435 0.290 764 HG2 GLU 105 1HG GLU 105 19.466 -7.387 1.676 765 HG3 GLU 105 2HG GLU 105 20.443 -8.257 0.496 766 H SER 106 H SER 106 18.694 -6.562 -3.478 767 HA SER 106 HA SER 106 19.663 -9.280 -4.044 768 HB2 SER 106 1HB SER 106 17.499 -8.357 -5.105 769 HB3 SER 106 2HB SER 106 18.568 -7.373 -6.104 770 HG SER 106 HG SER 106 19.575 -9.344 -6.772 771 H SER 107 H SER 107 20.060 -5.952 -5.268 772 HA SER 107 HA SER 107 22.292 -6.311 -6.827 773 HB2 SER 107 1HB SER 107 21.254 -3.993 -5.245 774 HB3 SER 107 2HB SER 107 22.844 -3.865 -5.997 775 HG SER 107 HG SER 107 21.952 -3.901 -7.941 776 H GLY 108 H GLY 108 22.166 -5.707 -3.333 777 HA2 GLY 108 1HA GLY 108 23.686 -6.566 -1.760 778 HA3 GLY 108 2HA GLY 108 24.798 -6.938 -3.069 779 HA PRO 109 HA PRO 109 26.545 -3.292 -0.879 780 HB2 PRO 109 1HB PRO 109 29.122 -4.112 -1.125 781 HB3 PRO 109 2HB PRO 109 28.065 -4.645 0.188 782 HG2 PRO 109 1HG PRO 109 28.790 -6.056 -2.351 783 HG3 PRO 109 2HG PRO 109 28.673 -6.704 -0.705 784 HD2 PRO 109 1HD PRO 109 26.713 -7.034 -2.544 785 HD3 PRO 109 2HD PRO 109 26.377 -6.889 -0.807 786 H SER 110 H SER 110 26.287 -1.674 -2.334 787 HA SER 110 HA SER 110 27.843 -1.785 -4.827 788 HB2 SER 110 1HB SER 110 26.309 -0.099 -5.699 789 HB3 SER 110 2HB SER 110 25.396 -1.474 -5.077 790 HG SER 110 HG SER 110 25.632 0.119 -3.049 791 H SER 111 H SER 111 27.430 -0.084 -1.845 792 HA SER 111 HA SER 111 29.391 1.936 -2.712 793 HB2 SER 111 1HB SER 111 28.519 3.388 -0.958 794 HB3 SER 111 2HB SER 111 27.197 2.850 -1.994 795 HG SER 111 HG SER 111 27.252 2.670 0.567 796 H GLY 112 H GLY 112 31.364 1.267 -2.138 797 HA2 GLY 112 1HA GLY 112 31.791 0.567 0.683 798 HA3 GLY 112 2HA GLY 112 32.397 -0.519 -0.559 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -26.803 20.002 8.434 2 HA2 GLY 1 1HA GLY 1 -26.186 19.476 10.586 3 HA3 GLY 1 2HA GLY 1 -25.871 17.882 9.918 4 H SER 2 H SER 2 -24.293 18.154 11.838 5 HA SER 2 HA SER 2 -21.791 19.362 10.858 6 HB2 SER 2 1HB SER 2 -22.797 18.884 13.664 7 HB3 SER 2 2HB SER 2 -21.111 19.266 13.314 8 HG SER 2 HG SER 2 -21.874 21.238 13.519 9 H SER 3 H SER 3 -23.135 16.562 12.569 10 HA SER 3 HA SER 3 -20.643 15.092 12.196 11 HB2 SER 3 1HB SER 3 -21.549 14.763 14.355 12 HB3 SER 3 2HB SER 3 -23.180 14.529 13.726 13 HG SER 3 HG SER 3 -20.965 12.775 13.488 14 H GLY 4 H GLY 4 -24.066 14.877 11.282 15 HA2 GLY 4 1HA GLY 4 -25.056 13.900 9.448 16 HA3 GLY 4 2HA GLY 4 -23.449 13.707 8.762 17 H SER 5 H SER 5 -24.008 11.646 7.963 18 HA SER 5 HA SER 5 -24.658 9.572 9.906 19 HB2 SER 5 1HB SER 5 -24.829 8.109 7.874 20 HB3 SER 5 2HB SER 5 -25.919 9.495 7.850 21 HG SER 5 HG SER 5 -24.980 10.106 6.086 22 H SER 6 H SER 6 -23.389 7.726 10.241 23 HA SER 6 HA SER 6 -20.552 8.076 9.533 24 HB2 SER 6 1HB SER 6 -21.686 6.513 11.863 25 HB3 SER 6 2HB SER 6 -19.988 6.878 11.559 26 HG SER 6 HG SER 6 -22.040 8.549 12.470 27 H GLY 7 H GLY 7 -20.763 6.987 7.531 28 HA2 GLY 7 1HA GLY 7 -21.829 4.341 7.355 29 HA3 GLY 7 2HA GLY 7 -20.885 5.166 6.123 30 H THR 8 H THR 8 -20.770 2.382 7.123 31 HA THR 8 HA THR 8 -17.885 2.279 7.479 32 HB THR 8 HB THR 8 -18.020 0.694 9.366 33 HG1 THR 8 1HG THR 8 -20.310 1.075 10.441 34 HG21 THR 8 1HG2 THR 8 -19.468 3.220 10.126 35 HG22 THR 8 2HG2 THR 8 -17.770 3.217 9.649 36 HG23 THR 8 3HG2 THR 8 -18.290 2.305 11.066 37 H ALA 9 H ALA 9 -17.124 -0.066 7.443 38 HA ALA 9 HA ALA 9 -18.920 -1.823 5.945 39 HB1 ALA 9 1HB ALA 9 -17.479 -0.380 4.392 40 HB2 ALA 9 2HB ALA 9 -16.129 -1.375 4.941 41 HB3 ALA 9 3HB ALA 9 -17.498 -2.122 4.118 42 H ARG 10 H ARG 10 -17.535 -3.948 5.429 43 HA ARG 10 HA ARG 10 -16.126 -4.666 7.916 44 HB2 ARG 10 1HB ARG 10 -18.333 -6.033 6.464 45 HB3 ARG 10 2HB ARG 10 -17.091 -7.048 7.185 46 HG2 ARG 10 1HG ARG 10 -17.579 -5.498 9.281 47 HG3 ARG 10 2HG ARG 10 -19.142 -5.347 8.476 48 HD2 ARG 10 1HD ARG 10 -19.556 -7.202 9.731 49 HD3 ARG 10 2HD ARG 10 -18.885 -7.976 8.296 50 HE ARG 10 HE ARG 10 -16.999 -8.542 9.503 51 HH11 ARG 10 2HH1 ARG 10 -19.023 -6.400 11.356 52 HH12 ARG 10 1HH1 ARG 10 -18.163 -6.659 12.838 53 HH21 ARG 10 2HH2 ARG 10 -15.858 -8.890 11.447 54 HH22 ARG 10 1HH2 ARG 10 -16.363 -8.074 12.888 55 H LEU 11 H LEU 11 -14.855 -6.789 7.589 56 HA LEU 11 HA LEU 11 -13.345 -6.527 5.080 57 HB2 LEU 11 1HB LEU 11 -12.127 -6.116 7.198 58 HB3 LEU 11 2HB LEU 11 -12.480 -7.773 7.685 59 HG LEU 11 HG LEU 11 -11.158 -8.576 5.749 60 HD11 LEU 11 1HD1 LEU 11 -11.409 -6.618 4.314 61 HD12 LEU 11 2HD1 LEU 11 -9.709 -7.013 4.567 62 HD13 LEU 11 3HD1 LEU 11 -10.439 -5.665 5.437 63 HD21 LEU 11 1HD2 LEU 11 -9.810 -6.775 7.751 64 HD22 LEU 11 2HD2 LEU 11 -8.937 -7.869 6.678 65 HD23 LEU 11 3HD2 LEU 11 -10.071 -8.516 7.865 66 H VAL 12 H VAL 12 -12.725 -8.370 3.920 67 HA VAL 12 HA VAL 12 -14.044 -10.886 4.684 68 HB VAL 12 HB VAL 12 -14.244 -11.107 2.033 69 HG11 VAL 12 1HG1 VAL 12 -16.488 -9.534 2.969 70 HG12 VAL 12 2HG1 VAL 12 -16.412 -11.241 2.526 71 HG13 VAL 12 3HG1 VAL 12 -15.984 -10.732 4.160 72 HG21 VAL 12 1HG2 VAL 12 -14.377 -9.195 0.845 73 HG22 VAL 12 2HG2 VAL 12 -15.114 -8.296 2.172 74 HG23 VAL 12 3HG2 VAL 12 -13.369 -8.553 2.143 75 H ALA 13 H ALA 13 -11.526 -9.272 2.825 76 HA ALA 13 HA ALA 13 -9.918 -11.724 3.003 77 HB1 ALA 13 1HB ALA 13 -9.595 -10.067 0.566 78 HB2 ALA 13 2HB ALA 13 -9.408 -11.807 0.789 79 HB3 ALA 13 3HB ALA 13 -11.020 -11.101 0.667 80 H GLY 14 H GLY 14 -9.040 -10.531 4.858 81 HA2 GLY 14 1HA GLY 14 -7.833 -8.064 4.842 82 HA3 GLY 14 2HA GLY 14 -7.250 -9.425 5.790 83 H LEU 15 H LEU 15 -5.678 -7.337 4.574 84 HA LEU 15 HA LEU 15 -4.467 -7.848 2.191 85 HB2 LEU 15 1HB LEU 15 -3.158 -7.017 4.774 86 HB3 LEU 15 2HB LEU 15 -2.382 -6.928 3.194 87 HG LEU 15 HG LEU 15 -4.970 -5.505 3.606 88 HD11 LEU 15 1HD1 LEU 15 -4.105 -4.432 5.380 89 HD12 LEU 15 2HD1 LEU 15 -3.180 -3.555 4.162 90 HD13 LEU 15 3HD1 LEU 15 -2.453 -4.922 5.006 91 HD21 LEU 15 1HD2 LEU 15 -3.293 -3.895 2.200 92 HD22 LEU 15 2HD2 LEU 15 -4.396 -5.067 1.480 93 HD23 LEU 15 3HD2 LEU 15 -2.704 -5.493 1.742 94 H GLU 16 H GLU 16 -2.507 -8.952 1.583 95 HA GLU 16 HA GLU 16 -2.042 -11.397 3.161 96 HB2 GLU 16 1HB GLU 16 -1.875 -11.066 0.161 97 HB3 GLU 16 2HB GLU 16 -1.545 -12.547 1.049 98 HG2 GLU 16 1HG GLU 16 -4.201 -11.135 1.037 99 HG3 GLU 16 2HG GLU 16 -3.778 -12.476 -0.025 100 H ASP 17 H ASP 17 0.075 -12.202 3.280 101 HA ASP 17 HA ASP 17 2.104 -10.281 3.506 102 HB2 ASP 17 1HB ASP 17 3.597 -12.441 3.494 103 HB3 ASP 17 2HB ASP 17 2.489 -12.139 4.829 104 H VAL 18 H VAL 18 3.605 -9.516 2.139 105 HA VAL 18 HA VAL 18 3.940 -10.836 -0.466 106 HB VAL 18 HB VAL 18 3.528 -7.874 -0.042 107 HG11 VAL 18 1HG1 VAL 18 5.292 -8.405 -1.709 108 HG12 VAL 18 2HG1 VAL 18 4.096 -9.327 -2.622 109 HG13 VAL 18 3HG1 VAL 18 3.889 -7.589 -2.399 110 HG21 VAL 18 1HG2 VAL 18 1.878 -10.042 -1.302 111 HG22 VAL 18 2HG2 VAL 18 1.410 -8.873 -0.066 112 HG23 VAL 18 3HG2 VAL 18 1.658 -8.345 -1.730 113 H GLN 19 H GLN 19 6.004 -11.148 -0.990 114 HA GLN 19 HA GLN 19 8.049 -9.383 0.162 115 HB2 GLN 19 1HB GLN 19 9.380 -11.138 0.928 116 HB3 GLN 19 2HB GLN 19 7.757 -11.643 1.378 117 HG2 GLN 19 1HG GLN 19 7.751 -12.929 -0.835 118 HG3 GLN 19 2HG GLN 19 9.494 -12.670 -0.832 119 HE21 GLN 19 1HE2 GLN 19 10.443 -14.485 -0.254 120 HE22 GLN 19 2HE2 GLN 19 9.981 -15.500 1.066 121 H VAL 20 H VAL 20 9.394 -8.613 -1.324 122 HA VAL 20 HA VAL 20 9.957 -10.200 -3.723 123 HB VAL 20 HB VAL 20 9.701 -8.224 -5.169 124 HG11 VAL 20 1HG1 VAL 20 7.029 -8.082 -4.353 125 HG12 VAL 20 2HG1 VAL 20 7.724 -9.160 -5.565 126 HG13 VAL 20 3HG1 VAL 20 7.583 -9.690 -3.888 127 HG21 VAL 20 1HG2 VAL 20 10.021 -6.400 -3.712 128 HG22 VAL 20 2HG2 VAL 20 8.333 -6.307 -4.213 129 HG23 VAL 20 3HG2 VAL 20 8.746 -6.944 -2.621 130 H TYR 21 H TYR 21 11.877 -9.531 -4.862 131 HA TYR 21 HA TYR 21 13.956 -8.706 -3.065 132 HB2 TYR 21 1HB TYR 21 13.939 -9.452 -5.989 133 HB3 TYR 21 2HB TYR 21 15.401 -8.958 -5.142 134 HD1 TYR 21 1HD TYR 21 12.552 -11.296 -4.476 135 HD2 TYR 21 2HD TYR 21 16.764 -10.703 -4.527 136 HE1 TYR 21 1HE TYR 21 12.881 -13.609 -3.708 137 HE2 TYR 21 2HE TYR 21 17.105 -13.015 -3.762 138 HH TYR 21 HH TYR 21 16.051 -14.816 -2.818 139 H ASP 22 H ASP 22 15.445 -6.960 -3.461 140 HA ASP 22 HA ASP 22 14.342 -4.474 -3.676 141 HB2 ASP 22 1HB ASP 22 17.134 -5.054 -4.661 142 HB3 ASP 22 2HB ASP 22 16.540 -3.593 -3.876 143 H GLY 23 H GLY 23 14.135 -2.902 -5.286 144 HA2 GLY 23 1HA GLY 23 14.018 -2.055 -7.445 145 HA3 GLY 23 2HA GLY 23 14.784 -3.524 -8.031 146 H GLU 24 H GLU 24 12.893 -5.336 -6.834 147 HA GLU 24 HA GLU 24 11.036 -5.548 -8.909 148 HB2 GLU 24 1HB GLU 24 10.874 -6.718 -6.126 149 HB3 GLU 24 2HB GLU 24 9.928 -7.245 -7.511 150 HG2 GLU 24 1HG GLU 24 12.888 -7.503 -7.090 151 HG3 GLU 24 2HG GLU 24 11.694 -8.789 -7.255 152 H ASP 25 H ASP 25 8.569 -5.810 -8.302 153 HA ASP 25 HA ASP 25 7.752 -3.298 -6.995 154 HB2 ASP 25 1HB ASP 25 6.036 -4.685 -9.022 155 HB3 ASP 25 2HB ASP 25 6.087 -2.979 -8.586 156 H ALA 26 H ALA 26 6.559 -3.489 -5.224 157 HA ALA 26 HA ALA 26 5.360 -6.095 -4.610 158 HB1 ALA 26 1HB ALA 26 5.807 -3.777 -2.738 159 HB2 ALA 26 2HB ALA 26 5.377 -5.433 -2.309 160 HB3 ALA 26 3HB ALA 26 6.964 -5.083 -2.994 161 H VAL 27 H VAL 27 3.231 -6.374 -4.684 162 HA VAL 27 HA VAL 27 1.483 -4.013 -4.488 163 HB VAL 27 HB VAL 27 1.279 -4.376 -6.750 164 HG11 VAL 27 1HG1 VAL 27 1.395 -6.518 -7.863 165 HG12 VAL 27 2HG1 VAL 27 2.782 -6.336 -6.787 166 HG13 VAL 27 3HG1 VAL 27 1.424 -7.357 -6.313 167 HG21 VAL 27 1HG2 VAL 27 -0.873 -4.991 -5.254 168 HG22 VAL 27 2HG2 VAL 27 -0.898 -4.922 -7.016 169 HG23 VAL 27 3HG2 VAL 27 -0.721 -6.473 -6.197 170 H PHE 28 H PHE 28 -0.251 -4.232 -3.193 171 HA PHE 28 HA PHE 28 -0.730 -6.892 -2.025 172 HB2 PHE 28 1HB PHE 28 -0.966 -4.123 -0.868 173 HB3 PHE 28 2HB PHE 28 -1.783 -5.497 -0.131 174 HD1 PHE 28 2HD PHE 28 1.443 -3.926 -0.816 175 HD2 PHE 28 1HD PHE 28 -0.535 -7.237 0.984 176 HE1 PHE 28 2HE PHE 28 3.506 -4.494 0.396 177 HE2 PHE 28 1HE PHE 28 1.526 -7.811 2.200 178 HZ PHE 28 HZ PHE 28 3.550 -6.440 1.906 179 H SER 29 H SER 29 -3.041 -7.066 -1.105 180 HA SER 29 HA SER 29 -5.075 -5.652 -2.587 181 HB2 SER 29 1HB SER 29 -5.950 -7.462 -3.825 182 HB3 SER 29 2HB SER 29 -4.208 -7.551 -4.087 183 HG SER 29 HG SER 29 -4.138 -9.153 -2.439 184 H LEU 30 H LEU 30 -7.139 -5.887 -1.709 185 HA LEU 30 HA LEU 30 -7.640 -7.781 0.403 186 HB2 LEU 30 1HB LEU 30 -7.966 -6.228 2.177 187 HB3 LEU 30 2HB LEU 30 -6.350 -5.973 1.521 188 HG LEU 30 HG LEU 30 -7.634 -4.101 0.132 189 HD11 LEU 30 1HD1 LEU 30 -9.826 -4.390 0.900 190 HD12 LEU 30 2HD1 LEU 30 -9.222 -2.995 1.793 191 HD13 LEU 30 3HD1 LEU 30 -9.310 -4.572 2.577 192 HD21 LEU 30 1HD2 LEU 30 -5.762 -3.509 1.400 193 HD22 LEU 30 2HD2 LEU 30 -6.519 -3.995 2.917 194 HD23 LEU 30 3HD2 LEU 30 -7.069 -2.541 2.083 195 H ASP 31 H ASP 31 -9.793 -8.122 0.725 196 HA ASP 31 HA ASP 31 -11.612 -6.543 -0.962 197 HB2 ASP 31 1HB ASP 31 -11.871 -9.356 0.121 198 HB3 ASP 31 2HB ASP 31 -13.128 -8.522 -0.789 199 H LEU 32 H LEU 32 -13.769 -6.113 -0.150 200 HA LEU 32 HA LEU 32 -13.974 -6.085 2.780 201 HB2 LEU 32 1HB LEU 32 -14.751 -3.765 1.027 202 HB3 LEU 32 2HB LEU 32 -14.767 -3.826 2.788 203 HG LEU 32 HG LEU 32 -12.289 -3.902 1.067 204 HD11 LEU 32 1HD1 LEU 32 -12.176 -1.677 1.160 205 HD12 LEU 32 2HD1 LEU 32 -12.681 -1.632 2.849 206 HD13 LEU 32 3HD1 LEU 32 -13.891 -1.731 1.570 207 HD21 LEU 32 1HD2 LEU 32 -11.342 -4.738 2.901 208 HD22 LEU 32 2HD2 LEU 32 -12.793 -4.469 3.867 209 HD23 LEU 32 3HD2 LEU 32 -11.625 -3.165 3.648 210 H SER 33 H SER 33 -16.281 -5.390 3.432 211 HA SER 33 HA SER 33 -18.095 -7.178 2.086 212 HB2 SER 33 1HB SER 33 -18.045 -6.999 4.555 213 HB3 SER 33 2HB SER 33 -18.596 -5.328 4.431 214 HG SER 33 HG SER 33 -20.539 -6.023 3.660 215 H THR 34 H THR 34 -17.598 -3.727 2.330 216 HA THR 34 HA THR 34 -19.447 -3.308 0.129 217 HB THR 34 HB THR 34 -20.839 -3.053 2.184 218 HG1 THR 34 1HG THR 34 -21.398 -1.872 0.327 219 HG21 THR 34 1HG2 THR 34 -20.320 -0.676 3.274 220 HG22 THR 34 2HG2 THR 34 -18.673 -1.129 2.835 221 HG23 THR 34 3HG2 THR 34 -19.621 -2.169 3.898 222 H ILE 35 H ILE 35 -19.374 -0.986 -0.618 223 HA ILE 35 HA ILE 35 -16.684 -0.214 -1.021 224 HB ILE 35 HB ILE 35 -19.130 1.483 -1.512 225 HG12 ILE 35 1HG1 ILE 35 -17.826 -0.287 -3.562 226 HG13 ILE 35 2HG1 ILE 35 -19.083 -0.916 -2.503 227 HG21 ILE 35 1HG2 ILE 35 -17.128 2.766 -1.700 228 HG22 ILE 35 2HG2 ILE 35 -16.343 1.506 -2.651 229 HG23 ILE 35 3HG2 ILE 35 -17.691 2.416 -3.334 230 HD11 ILE 35 1HD1 ILE 35 -20.310 -0.288 -4.323 231 HD12 ILE 35 2HD1 ILE 35 -20.407 1.176 -3.344 232 HD13 ILE 35 3HD1 ILE 35 -19.270 1.088 -4.689 233 H ILE 36 H ILE 36 -15.397 1.139 0.063 234 HA ILE 36 HA ILE 36 -16.476 3.211 1.767 235 HB ILE 36 HB ILE 36 -16.482 1.203 3.234 236 HG12 ILE 36 1HG1 ILE 36 -14.323 3.000 4.264 237 HG13 ILE 36 2HG1 ILE 36 -15.904 3.688 3.907 238 HG21 ILE 36 1HG2 ILE 36 -13.976 0.700 4.009 239 HG22 ILE 36 2HG2 ILE 36 -14.782 -0.209 2.731 240 HG23 ILE 36 3HG2 ILE 36 -13.672 1.097 2.318 241 HD11 ILE 36 1HD1 ILE 36 -16.193 1.284 5.444 242 HD12 ILE 36 2HD1 ILE 36 -15.091 2.406 6.245 243 HD13 ILE 36 3HD1 ILE 36 -16.720 2.926 5.813 244 H GLN 37 H GLN 37 -14.920 4.760 2.403 245 HA GLN 37 HA GLN 37 -12.455 4.644 0.809 246 HB2 GLN 37 1HB GLN 37 -14.185 6.530 0.530 247 HB3 GLN 37 2HB GLN 37 -13.593 7.125 2.075 248 HG2 GLN 37 1HG GLN 37 -11.288 7.125 1.047 249 HG3 GLN 37 2HG GLN 37 -12.080 6.844 -0.502 250 HE21 GLN 37 1HE2 GLN 37 -13.181 8.489 -1.486 251 HE22 GLN 37 2HE2 GLN 37 -13.147 10.122 -0.925 252 H GLY 38 H GLY 38 -10.842 3.839 2.011 253 HA2 GLY 38 1HA GLY 38 -10.573 4.795 4.789 254 HA3 GLY 38 2HA GLY 38 -9.918 3.281 4.181 255 H THR 39 H THR 39 -7.865 3.877 5.020 256 HA THR 39 HA THR 39 -6.397 5.658 3.212 257 HB THR 39 HB THR 39 -6.249 5.775 6.229 258 HG1 THR 39 1HG THR 39 -6.810 7.824 4.330 259 HG21 THR 39 1HG2 THR 39 -4.391 7.199 6.068 260 HG22 THR 39 2HG2 THR 39 -4.608 7.432 4.333 261 HG23 THR 39 3HG2 THR 39 -4.027 5.886 4.950 262 H TRP 40 H TRP 40 -4.293 5.059 2.805 263 HA TRP 40 HA TRP 40 -3.575 2.367 3.688 264 HB2 TRP 40 1HB TRP 40 -2.758 4.110 1.390 265 HB3 TRP 40 2HB TRP 40 -1.714 2.782 1.891 266 HD1 TRP 40 HD TRP 40 -4.883 3.520 -0.006 267 HE1 TRP 40 1HE TRP 40 -5.833 1.332 -0.975 268 HE3 TRP 40 3HE TRP 40 -1.897 0.178 2.455 269 HZ2 TRP 40 2HZ TRP 40 -5.376 -1.443 -0.728 270 HZ3 TRP 40 3HZ TRP 40 -2.218 -2.224 2.032 271 HH2 TRP 40 HH TRP 40 -3.923 -3.016 0.474 272 H PHE 41 H PHE 41 -1.599 1.864 4.637 273 HA PHE 41 HA PHE 41 -0.061 4.162 5.653 274 HB2 PHE 41 1HB PHE 41 -1.185 1.802 7.075 275 HB3 PHE 41 2HB PHE 41 0.400 2.372 7.586 276 HD1 PHE 41 2HD PHE 41 -3.098 3.472 7.039 277 HD2 PHE 41 1HD PHE 41 0.604 4.207 9.006 278 HE1 PHE 41 2HE PHE 41 -4.171 5.221 8.396 279 HE2 PHE 41 1HE PHE 41 -0.463 5.957 10.368 280 HZ PHE 41 HZ PHE 41 -2.853 6.467 10.063 281 H LEU 42 H LEU 42 2.188 3.703 6.172 282 HA LEU 42 HA LEU 42 3.335 1.303 4.991 283 HB2 LEU 42 1HB LEU 42 3.302 2.744 3.095 284 HB3 LEU 42 2HB LEU 42 3.927 4.095 4.038 285 HG LEU 42 HG LEU 42 6.081 2.905 4.256 286 HD11 LEU 42 1HD1 LEU 42 5.854 0.667 4.038 287 HD12 LEU 42 2HD1 LEU 42 6.209 1.031 2.350 288 HD13 LEU 42 3HD1 LEU 42 4.540 0.800 2.869 289 HD21 LEU 42 1HD2 LEU 42 6.839 3.317 2.012 290 HD22 LEU 42 2HD2 LEU 42 5.645 4.542 2.443 291 HD23 LEU 42 3HD2 LEU 42 5.193 3.201 1.390 292 H ASN 43 H ASN 43 4.412 0.573 6.716 293 HA ASN 43 HA ASN 43 5.935 0.436 8.400 294 HB2 ASN 43 1HB ASN 43 7.018 2.614 6.684 295 HB3 ASN 43 2HB ASN 43 7.708 2.436 8.295 296 HD21 ASN 43 1HD2 ASN 43 7.834 1.413 5.128 297 HD22 ASN 43 2HD2 ASN 43 8.806 0.000 5.343 298 H GLY 44 H GLY 44 3.533 1.531 9.107 299 HA2 GLY 44 1HA GLY 44 2.709 2.479 11.063 300 HA3 GLY 44 2HA GLY 44 4.311 3.121 11.395 301 H GLU 45 H GLU 45 4.501 4.376 8.735 302 HA GLU 45 HA GLU 45 3.244 6.861 9.427 303 HB2 GLU 45 1HB GLU 45 5.116 5.923 7.309 304 HB3 GLU 45 2HB GLU 45 4.203 7.393 7.001 305 HG2 GLU 45 1HG GLU 45 5.137 8.469 8.903 306 HG3 GLU 45 2HG GLU 45 5.869 6.968 9.466 307 H GLU 46 H GLU 46 1.960 8.111 7.825 308 HA GLU 46 HA GLU 46 -0.019 6.346 6.555 309 HB2 GLU 46 1HB GLU 46 -0.792 7.902 8.363 310 HB3 GLU 46 2HB GLU 46 -0.343 9.249 7.326 311 HG2 GLU 46 1HG GLU 46 -1.911 8.122 5.602 312 HG3 GLU 46 2HG GLU 46 -2.560 7.276 7.005 313 H LEU 47 H LEU 47 -0.673 6.668 4.449 314 HA LEU 47 HA LEU 47 1.145 8.296 2.825 315 HB2 LEU 47 1HB LEU 47 -0.762 6.098 2.037 316 HB3 LEU 47 2HB LEU 47 0.302 6.965 0.932 317 HG LEU 47 HG LEU 47 1.429 5.439 3.251 318 HD11 LEU 47 1HD1 LEU 47 1.630 3.472 1.866 319 HD12 LEU 47 2HD1 LEU 47 0.800 4.284 0.539 320 HD13 LEU 47 3HD1 LEU 47 -0.070 3.913 2.027 321 HD21 LEU 47 1HD2 LEU 47 2.458 6.265 0.541 322 HD22 LEU 47 2HD2 LEU 47 3.338 5.233 1.669 323 HD23 LEU 47 3HD2 LEU 47 2.954 6.897 2.111 324 H LYS 48 H LYS 48 0.301 9.553 1.057 325 HA LYS 48 HA LYS 48 -2.485 10.426 1.452 326 HB2 LYS 48 1HB LYS 48 -1.727 12.723 0.831 327 HB3 LYS 48 2HB LYS 48 -1.079 12.148 2.361 328 HG2 LYS 48 1HG LYS 48 0.510 11.796 -0.139 329 HG3 LYS 48 2HG LYS 48 0.463 13.368 0.661 330 HD2 LYS 48 1HD LYS 48 1.566 12.602 2.529 331 HD3 LYS 48 2HD LYS 48 1.031 10.936 2.292 332 HE2 LYS 48 1HE LYS 48 3.289 10.850 1.751 333 HE3 LYS 48 2HE LYS 48 2.507 11.000 0.178 334 HZ1 LYS 48 1HZ LYS 48 4.352 12.491 0.270 335 HZ2 LYS 48 2HZ LYS 48 3.819 13.166 1.726 336 HZ3 LYS 48 3HZ LYS 48 2.936 13.417 0.304 337 H SER 49 H SER 49 -3.716 10.556 -0.331 338 HA SER 49 HA SER 49 -2.509 9.764 -2.863 339 HB2 SER 49 1HB SER 49 -4.680 8.775 -1.836 340 HB3 SER 49 2HB SER 49 -5.449 10.243 -2.442 341 HG SER 49 HG SER 49 -3.821 8.801 -4.192 342 H ASN 50 H ASN 50 -1.426 11.722 -3.356 343 HA ASN 50 HA ASN 50 -3.095 13.613 -4.760 344 HB2 ASN 50 1HB ASN 50 -1.586 14.360 -2.272 345 HB3 ASN 50 2HB ASN 50 -1.847 15.548 -3.546 346 HD21 ASN 50 1HD2 ASN 50 -3.741 16.571 -3.649 347 HD22 ASN 50 2HD2 ASN 50 -5.117 16.210 -2.668 348 H GLU 51 H GLU 51 -1.960 14.848 -6.285 349 HA GLU 51 HA GLU 51 0.032 13.766 -7.705 350 HB2 GLU 51 1HB GLU 51 0.611 15.989 -8.548 351 HB3 GLU 51 2HB GLU 51 -1.130 15.808 -8.387 352 HG2 GLU 51 1HG GLU 51 -1.070 17.058 -6.291 353 HG3 GLU 51 2HG GLU 51 0.676 17.240 -6.451 354 HA PRO 52 HA PRO 52 3.594 13.643 -5.077 355 HB2 PRO 52 1HB PRO 52 5.378 12.882 -6.977 356 HB3 PRO 52 2HB PRO 52 4.201 11.772 -6.265 357 HG2 PRO 52 1HG PRO 52 4.088 13.232 -8.876 358 HG3 PRO 52 2HG PRO 52 3.657 11.550 -8.515 359 HD2 PRO 52 1HD PRO 52 1.803 13.508 -8.761 360 HD3 PRO 52 2HD PRO 52 1.595 12.129 -7.663 361 H GLU 53 H GLU 53 2.852 15.983 -7.239 362 HA GLU 53 HA GLU 53 5.423 17.200 -7.610 363 HB2 GLU 53 1HB GLU 53 2.595 18.098 -8.105 364 HB3 GLU 53 2HB GLU 53 3.952 19.198 -8.304 365 HG2 GLU 53 1HG GLU 53 3.126 18.043 -10.385 366 HG3 GLU 53 2HG GLU 53 4.856 17.939 -10.066 367 H GLY 54 H GLY 54 6.289 17.420 -5.527 368 HA2 GLY 54 1HA GLY 54 5.607 19.863 -4.210 369 HA3 GLY 54 2HA GLY 54 5.103 18.464 -3.273 370 H GLN 55 H GLN 55 6.633 17.183 -2.271 371 HA GLN 55 HA GLN 55 9.320 18.361 -2.154 372 HB2 GLN 55 1HB GLN 55 7.618 16.882 -0.202 373 HB3 GLN 55 2HB GLN 55 9.365 16.740 -0.057 374 HG2 GLN 55 1HG GLN 55 7.908 19.368 -0.138 375 HG3 GLN 55 2HG GLN 55 8.319 18.517 1.350 376 HE21 GLN 55 1HE2 GLN 55 9.178 21.125 0.103 377 HE22 GLN 55 2HE2 GLN 55 10.904 21.075 0.159 378 H VAL 56 H VAL 56 7.854 15.118 -1.864 379 HA VAL 56 HA VAL 56 10.304 13.866 -2.744 380 HB VAL 56 HB VAL 56 7.598 12.662 -2.143 381 HG11 VAL 56 1HG1 VAL 56 9.187 11.409 -3.725 382 HG12 VAL 56 2HG1 VAL 56 10.190 11.161 -2.294 383 HG13 VAL 56 3HG1 VAL 56 8.540 10.537 -2.336 384 HG21 VAL 56 1HG2 VAL 56 9.314 11.799 -0.211 385 HG22 VAL 56 2HG2 VAL 56 9.885 13.445 -0.485 386 HG23 VAL 56 3HG2 VAL 56 8.203 13.158 -0.039 387 H GLU 57 H GLU 57 10.829 13.514 -4.791 388 HA GLU 57 HA GLU 57 9.095 14.128 -6.944 389 HB2 GLU 57 1HB GLU 57 10.912 13.181 -8.365 390 HB3 GLU 57 2HB GLU 57 11.466 14.400 -7.226 391 HG2 GLU 57 1HG GLU 57 12.661 12.912 -5.990 392 HG3 GLU 57 2HG GLU 57 11.599 11.561 -6.384 393 HA PRO 58 HA PRO 58 6.940 10.355 -7.590 394 HB2 PRO 58 1HB PRO 58 6.545 10.477 -10.273 395 HB3 PRO 58 2HB PRO 58 5.672 11.500 -9.126 396 HG2 PRO 58 1HG PRO 58 8.061 12.152 -10.808 397 HG3 PRO 58 2HG PRO 58 6.618 13.132 -10.485 398 HD2 PRO 58 1HD PRO 58 8.968 13.532 -9.201 399 HD3 PRO 58 2HD PRO 58 7.397 13.827 -8.430 400 H GLY 59 H GLY 59 10.045 10.913 -8.812 401 HA2 GLY 59 1HA GLY 59 10.270 8.394 -10.239 402 HA3 GLY 59 2HA GLY 59 11.549 9.574 -9.992 403 H ALA 60 H ALA 60 11.432 9.785 -7.196 404 HA ALA 60 HA ALA 60 13.093 7.678 -6.412 405 HB1 ALA 60 1HB ALA 60 12.106 8.646 -4.041 406 HB2 ALA 60 2HB ALA 60 13.478 9.307 -4.932 407 HB3 ALA 60 3HB ALA 60 11.872 10.002 -5.145 408 H LEU 61 H LEU 61 9.827 8.345 -5.132 409 HA LEU 61 HA LEU 61 9.522 5.452 -4.679 410 HB2 LEU 61 1HB LEU 61 9.439 6.595 -2.608 411 HB3 LEU 61 2HB LEU 61 8.367 7.834 -3.256 412 HG LEU 61 HG LEU 61 7.468 4.981 -3.050 413 HD11 LEU 61 1HD1 LEU 61 6.725 6.824 -0.875 414 HD12 LEU 61 2HD1 LEU 61 8.382 6.222 -0.847 415 HD13 LEU 61 3HD1 LEU 61 7.032 5.087 -0.842 416 HD21 LEU 61 1HD2 LEU 61 5.393 6.714 -2.495 417 HD22 LEU 61 2HD2 LEU 61 5.706 5.921 -4.039 418 HD23 LEU 61 3HD2 LEU 61 6.311 7.552 -3.746 419 H ARG 62 H ARG 62 8.073 4.406 -5.865 420 HA ARG 62 HA ARG 62 5.985 5.977 -7.226 421 HB2 ARG 62 1HB ARG 62 7.420 3.464 -8.085 422 HB3 ARG 62 2HB ARG 62 5.980 4.074 -8.889 423 HG2 ARG 62 1HG ARG 62 8.364 5.839 -8.536 424 HG3 ARG 62 2HG ARG 62 8.313 4.650 -9.839 425 HD2 ARG 62 1HD ARG 62 6.262 6.806 -9.344 426 HD3 ARG 62 2HD ARG 62 7.528 6.858 -10.571 427 HE ARG 62 HE ARG 62 5.783 4.565 -10.734 428 HH11 ARG 62 2HH1 ARG 62 6.355 7.847 -11.742 429 HH12 ARG 62 1HH1 ARG 62 5.378 7.718 -13.167 430 HH21 ARG 62 2HH2 ARG 62 4.494 4.382 -12.607 431 HH22 ARG 62 1HH2 ARG 62 4.320 5.747 -13.658 432 H TYR 63 H TYR 63 3.972 5.609 -6.592 433 HA TYR 63 HA TYR 63 3.220 2.935 -5.663 434 HB2 TYR 63 1HB TYR 63 2.060 3.813 -3.724 435 HB3 TYR 63 2HB TYR 63 3.747 4.310 -3.665 436 HD1 TYR 63 1HD TYR 63 4.117 6.671 -4.994 437 HD2 TYR 63 2HD TYR 63 0.545 5.407 -3.059 438 HE1 TYR 63 1HE TYR 63 3.421 9.019 -4.759 439 HE2 TYR 63 2HE TYR 63 -0.162 7.751 -2.820 440 HH TYR 63 HH TYR 63 1.943 10.415 -3.817 441 H ARG 64 H ARG 64 1.146 2.332 -6.144 442 HA ARG 64 HA ARG 64 -0.596 4.332 -7.409 443 HB2 ARG 64 1HB ARG 64 0.696 2.894 -9.083 444 HB3 ARG 64 2HB ARG 64 -0.278 1.546 -8.511 445 HG2 ARG 64 1HG ARG 64 -2.313 2.823 -9.141 446 HG3 ARG 64 2HG ARG 64 -1.265 4.057 -9.842 447 HD2 ARG 64 1HD ARG 64 -0.239 2.032 -11.136 448 HD3 ARG 64 2HD ARG 64 -1.776 1.258 -10.748 449 HE ARG 64 HE ARG 64 -2.583 3.582 -11.804 450 HH11 ARG 64 2HH1 ARG 64 -0.250 1.234 -12.884 451 HH12 ARG 64 1HH1 ARG 64 -0.503 1.564 -14.566 452 HH21 ARG 64 2HH2 ARG 64 -2.924 4.026 -14.015 453 HH22 ARG 64 1HH2 ARG 64 -2.023 3.153 -15.209 454 H ILE 65 H ILE 65 -2.440 4.399 -6.324 455 HA ILE 65 HA ILE 65 -3.342 2.015 -4.878 456 HB ILE 65 HB ILE 65 -4.263 4.882 -4.646 457 HG12 ILE 65 1HG1 ILE 65 -2.806 3.311 -2.539 458 HG13 ILE 65 2HG1 ILE 65 -1.914 4.144 -3.808 459 HG21 ILE 65 1HG2 ILE 65 -4.922 2.691 -2.715 460 HG22 ILE 65 2HG2 ILE 65 -5.719 4.246 -2.953 461 HG23 ILE 65 3HG2 ILE 65 -5.915 2.963 -4.147 462 HD11 ILE 65 1HD1 ILE 65 -3.015 6.252 -3.124 463 HD12 ILE 65 2HD1 ILE 65 -3.758 5.380 -1.782 464 HD13 ILE 65 3HD1 ILE 65 -2.004 5.537 -1.869 465 H GLU 66 H GLU 66 -4.998 0.846 -5.585 466 HA GLU 66 HA GLU 66 -6.791 2.041 -7.596 467 HB2 GLU 66 1HB GLU 66 -5.883 -0.826 -7.304 468 HB3 GLU 66 2HB GLU 66 -7.128 -0.292 -8.425 469 HG2 GLU 66 1HG GLU 66 -5.312 1.314 -9.312 470 HG3 GLU 66 2HG GLU 66 -4.189 0.240 -8.480 471 H GLN 67 H GLN 67 -8.951 1.919 -7.285 472 HA GLN 67 HA GLN 67 -9.938 0.306 -5.036 473 HB2 GLN 67 1HB GLN 67 -9.735 2.589 -4.228 474 HB3 GLN 67 2HB GLN 67 -10.637 3.189 -5.613 475 HG2 GLN 67 1HG GLN 67 -11.921 3.037 -3.471 476 HG3 GLN 67 2HG GLN 67 -12.646 2.210 -4.849 477 HE21 GLN 67 1HE2 GLN 67 -13.857 0.918 -3.428 478 HE22 GLN 67 2HE2 GLN 67 -13.138 -0.403 -2.577 479 H LYS 68 H LYS 68 -11.233 -1.157 -5.930 480 HA LYS 68 HA LYS 68 -13.246 -0.231 -7.866 481 HB2 LYS 68 1HB LYS 68 -11.304 -2.467 -8.108 482 HB3 LYS 68 2HB LYS 68 -12.936 -2.761 -8.693 483 HG2 LYS 68 1HG LYS 68 -12.583 -0.489 -9.935 484 HG3 LYS 68 2HG LYS 68 -10.874 -0.862 -9.698 485 HD2 LYS 68 1HD LYS 68 -11.138 -1.950 -11.664 486 HD3 LYS 68 2HD LYS 68 -11.736 -3.237 -10.614 487 HE2 LYS 68 1HE LYS 68 -13.663 -1.182 -11.566 488 HE3 LYS 68 2HE LYS 68 -13.107 -2.398 -12.716 489 HZ1 LYS 68 1HZ LYS 68 -15.182 -2.760 -11.111 490 HZ2 LYS 68 2HZ LYS 68 -13.963 -3.381 -10.117 491 HZ3 LYS 68 3HZ LYS 68 -14.212 -4.034 -11.657 492 H GLY 69 H GLY 69 -14.594 -0.094 -5.939 493 HA2 GLY 69 1HA GLY 69 -16.212 -0.903 -4.526 494 HA3 GLY 69 2HA GLY 69 -16.346 -2.235 -5.664 495 H LEU 70 H LEU 70 -15.579 -1.376 -2.524 496 HA LEU 70 HA LEU 70 -14.353 -2.390 -0.840 497 HB2 LEU 70 1HB LEU 70 -15.187 -4.898 -0.761 498 HB3 LEU 70 2HB LEU 70 -16.242 -3.545 -0.360 499 HG LEU 70 HG LEU 70 -16.236 -4.487 -3.175 500 HD11 LEU 70 1HD1 LEU 70 -16.253 -6.569 -1.848 501 HD12 LEU 70 2HD1 LEU 70 -17.766 -6.291 -2.711 502 HD13 LEU 70 3HD1 LEU 70 -17.668 -5.974 -0.979 503 HD21 LEU 70 1HD2 LEU 70 -18.266 -3.496 -3.250 504 HD22 LEU 70 2HD2 LEU 70 -17.631 -2.611 -1.863 505 HD23 LEU 70 3HD2 LEU 70 -18.694 -3.997 -1.614 506 H GLN 71 H GLN 71 -12.784 -2.259 -3.197 507 HA GLN 71 HA GLN 71 -11.039 -4.546 -2.711 508 HB2 GLN 71 1HB GLN 71 -12.622 -4.821 -4.793 509 HB3 GLN 71 2HB GLN 71 -11.473 -3.729 -5.555 510 HG2 GLN 71 1HG GLN 71 -9.672 -5.262 -5.175 511 HG3 GLN 71 2HG GLN 71 -10.716 -6.317 -4.223 512 HE21 GLN 71 1HE2 GLN 71 -9.612 -7.707 -6.002 513 HE22 GLN 71 2HE2 GLN 71 -10.570 -7.969 -7.415 514 H HIS 72 H HIS 72 -9.300 -3.514 -1.952 515 HA HIS 72 HA HIS 72 -8.331 -1.151 -3.417 516 HB2 HIS 72 1HB HIS 72 -7.845 -1.975 -0.548 517 HB3 HIS 72 2HB HIS 72 -7.113 -0.577 -1.328 518 HD2 HIS 72 2HD HIS 72 -10.737 -1.752 -0.288 519 HE1 HIS 72 1HE HIS 72 -10.633 2.483 -0.533 520 HE2 HIS 72 2HE HIS 72 -11.988 0.470 0.145 521 H ARG 73 H ARG 73 -6.236 -1.065 -4.128 522 HA ARG 73 HA ARG 73 -4.451 -3.299 -3.523 523 HB2 ARG 73 1HB ARG 73 -5.899 -3.540 -5.734 524 HB3 ARG 73 2HB ARG 73 -4.659 -2.474 -6.381 525 HG2 ARG 73 1HG ARG 73 -2.962 -4.132 -5.507 526 HG3 ARG 73 2HG ARG 73 -4.320 -5.225 -5.229 527 HD2 ARG 73 1HD ARG 73 -3.521 -4.005 -7.869 528 HD3 ARG 73 2HD ARG 73 -3.263 -5.678 -7.376 529 HE ARG 73 HE ARG 73 -5.912 -5.460 -7.142 530 HH11 ARG 73 2HH1 ARG 73 -3.751 -4.492 -9.694 531 HH12 ARG 73 1HH1 ARG 73 -4.924 -4.711 -10.949 532 HH21 ARG 73 2HH2 ARG 73 -7.467 -5.753 -8.786 533 HH22 ARG 73 1HH2 ARG 73 -7.038 -5.428 -10.431 534 H LEU 74 H LEU 74 -2.630 -2.407 -2.834 535 HA LEU 74 HA LEU 74 -1.802 0.183 -3.951 536 HB2 LEU 74 1HB LEU 74 -2.042 0.353 -1.615 537 HB3 LEU 74 2HB LEU 74 -1.231 -1.187 -1.341 538 HG LEU 74 HG LEU 74 0.802 0.142 -2.436 539 HD11 LEU 74 1HD1 LEU 74 -0.604 2.169 -2.767 540 HD12 LEU 74 2HD1 LEU 74 0.841 2.446 -1.795 541 HD13 LEU 74 3HD1 LEU 74 -0.734 2.308 -1.014 542 HD21 LEU 74 1HD2 LEU 74 1.214 -0.805 -0.386 543 HD22 LEU 74 2HD2 LEU 74 -0.182 -0.040 0.373 544 HD23 LEU 74 3HD2 LEU 74 1.265 0.909 0.027 545 H ILE 75 H ILE 75 -0.397 -0.038 -5.563 546 HA ILE 75 HA ILE 75 1.596 -2.193 -5.429 547 HB ILE 75 HB ILE 75 0.820 -0.516 -7.818 548 HG12 ILE 75 1HG1 ILE 75 -0.059 -2.960 -8.454 549 HG13 ILE 75 2HG1 ILE 75 -0.239 -3.067 -6.707 550 HG21 ILE 75 1HG2 ILE 75 3.148 -1.731 -7.540 551 HG22 ILE 75 2HG2 ILE 75 2.202 -3.139 -8.019 552 HG23 ILE 75 3HG2 ILE 75 2.286 -1.732 -9.079 553 HD11 ILE 75 1HD1 ILE 75 -2.301 -2.302 -7.351 554 HD12 ILE 75 2HD1 ILE 75 -1.470 -0.791 -6.978 555 HD13 ILE 75 3HD1 ILE 75 -1.648 -1.310 -8.654 556 H LEU 76 H LEU 76 3.733 -1.770 -5.341 557 HA LEU 76 HA LEU 76 4.593 1.036 -5.576 558 HB2 LEU 76 1HB LEU 76 5.693 -0.933 -3.583 559 HB3 LEU 76 2HB LEU 76 6.061 0.786 -3.707 560 HG LEU 76 HG LEU 76 3.263 -0.088 -3.120 561 HD11 LEU 76 1HD1 LEU 76 3.903 -1.118 -1.255 562 HD12 LEU 76 2HD1 LEU 76 4.398 0.467 -0.660 563 HD13 LEU 76 3HD1 LEU 76 5.575 -0.587 -1.444 564 HD21 LEU 76 1HD2 LEU 76 3.951 2.115 -1.608 565 HD22 LEU 76 2HD2 LEU 76 3.070 2.132 -3.135 566 HD23 LEU 76 3HD2 LEU 76 4.819 2.365 -3.123 567 H HIS 77 H HIS 77 5.549 0.891 -7.553 568 HA HIS 77 HA HIS 77 7.230 -1.307 -8.299 569 HB2 HIS 77 1HB HIS 77 7.343 1.306 -9.739 570 HB3 HIS 77 2HB HIS 77 7.341 -0.332 -10.387 571 HD1 HIS 77 1HD HIS 77 5.119 -1.306 -11.072 572 HD2 HIS 77 2HD HIS 77 4.742 2.282 -9.013 573 HE1 HIS 77 1HE HIS 77 2.699 -0.657 -11.290 574 HE2 HIS 77 2HE HIS 77 2.513 1.560 -10.108 575 H ALA 78 H ALA 78 9.387 -1.509 -8.139 576 HA ALA 78 HA ALA 78 11.583 -1.010 -7.738 577 HB1 ALA 78 1HB ALA 78 10.525 1.453 -8.627 578 HB2 ALA 78 2HB ALA 78 11.536 1.793 -7.222 579 HB3 ALA 78 3HB ALA 78 12.210 0.932 -8.606 580 H VAL 79 H VAL 79 10.293 -2.034 -5.699 581 HA VAL 79 HA VAL 79 10.231 -0.391 -3.360 582 HB VAL 79 HB VAL 79 9.937 -2.534 -2.133 583 HG11 VAL 79 1HG1 VAL 79 7.737 -2.729 -2.723 584 HG12 VAL 79 2HG1 VAL 79 8.125 -1.198 -3.511 585 HG13 VAL 79 3HG1 VAL 79 8.082 -2.690 -4.452 586 HG21 VAL 79 1HG2 VAL 79 9.472 -4.255 -4.356 587 HG22 VAL 79 2HG2 VAL 79 11.111 -3.613 -4.471 588 HG23 VAL 79 3HG2 VAL 79 10.597 -4.463 -3.014 589 H LYS 80 H LYS 80 11.907 0.243 -2.190 590 HA LYS 80 HA LYS 80 14.531 -0.856 -2.636 591 HB2 LYS 80 1HB LYS 80 13.470 1.336 -0.861 592 HB3 LYS 80 2HB LYS 80 15.152 0.827 -0.812 593 HG2 LYS 80 1HG LYS 80 15.266 2.590 -2.264 594 HG3 LYS 80 2HG LYS 80 15.051 1.246 -3.388 595 HD2 LYS 80 1HD LYS 80 13.521 2.824 -4.150 596 HD3 LYS 80 2HD LYS 80 12.530 1.752 -3.157 597 HE2 LYS 80 1HE LYS 80 13.791 4.180 -1.950 598 HE3 LYS 80 2HE LYS 80 12.312 4.333 -2.896 599 HZ1 LYS 80 1HZ LYS 80 11.354 3.932 -0.919 600 HZ2 LYS 80 2HZ LYS 80 12.718 3.170 -0.270 601 HZ3 LYS 80 3HZ LYS 80 11.672 2.312 -1.286 602 H HIS 81 H HIS 81 15.863 -1.847 -1.081 603 HA HIS 81 HA HIS 81 14.524 -3.688 0.625 604 HB2 HIS 81 1HB HIS 81 16.526 -4.492 -0.299 605 HB3 HIS 81 2HB HIS 81 17.412 -3.027 0.113 606 HD1 HIS 81 1HD HIS 81 15.827 -6.008 1.850 607 HD2 HIS 81 2HD HIS 81 18.830 -3.195 2.425 608 HE1 HIS 81 1HE HIS 81 17.013 -6.711 3.953 609 HE2 HIS 81 2HE HIS 81 18.771 -4.947 4.328 610 H GLN 82 H GLN 82 16.394 -0.741 1.179 611 HA GLN 82 HA GLN 82 16.787 -0.710 3.853 612 HB2 GLN 82 1HB GLN 82 16.611 1.702 3.802 613 HB3 GLN 82 2HB GLN 82 17.368 1.142 2.317 614 HG2 GLN 82 1HG GLN 82 15.437 1.560 1.047 615 HG3 GLN 82 2HG GLN 82 14.433 1.731 2.486 616 HE21 GLN 82 1HE2 GLN 82 17.449 3.144 1.249 617 HE22 GLN 82 2HE2 GLN 82 17.002 4.786 1.551 618 H ASP 83 H ASP 83 13.716 -0.432 2.213 619 HA ASP 83 HA ASP 83 12.318 0.131 4.711 620 HB2 ASP 83 1HB ASP 83 11.455 0.022 1.827 621 HB3 ASP 83 2HB ASP 83 10.284 0.097 3.141 622 H SER 84 H SER 84 13.677 -2.403 4.377 623 HA SER 84 HA SER 84 11.933 -4.489 3.685 624 HB2 SER 84 1HB SER 84 13.477 -5.955 4.793 625 HB3 SER 84 2HB SER 84 14.425 -4.673 4.039 626 HG SER 84 HG SER 84 14.091 -5.289 6.694 627 H GLY 85 H GLY 85 10.984 -6.091 5.186 628 HA2 GLY 85 1HA GLY 85 9.326 -6.510 6.732 629 HA3 GLY 85 2HA GLY 85 10.487 -5.819 7.856 630 H ALA 86 H ALA 86 8.788 -4.167 5.232 631 HA ALA 86 HA ALA 86 8.051 -1.997 6.908 632 HB1 ALA 86 1HB ALA 86 8.443 -1.690 4.528 633 HB2 ALA 86 2HB ALA 86 7.066 -2.727 4.152 634 HB3 ALA 86 3HB ALA 86 6.810 -1.179 4.958 635 H LEU 87 H LEU 87 5.691 -1.224 6.934 636 HA LEU 87 HA LEU 87 3.949 -3.500 7.620 637 HB2 LEU 87 1HB LEU 87 4.894 -1.787 9.421 638 HB3 LEU 87 2HB LEU 87 3.511 -0.844 8.871 639 HG LEU 87 HG LEU 87 2.840 -2.028 10.818 640 HD11 LEU 87 1HD1 LEU 87 0.928 -3.106 10.048 641 HD12 LEU 87 2HD1 LEU 87 1.737 -3.724 8.608 642 HD13 LEU 87 3HD1 LEU 87 1.342 -2.009 8.730 643 HD21 LEU 87 1HD2 LEU 87 3.796 -4.555 9.478 644 HD22 LEU 87 2HD2 LEU 87 3.039 -4.430 11.066 645 HD23 LEU 87 3HD2 LEU 87 4.628 -3.717 10.787 646 H VAL 88 H VAL 88 2.652 -3.668 5.878 647 HA VAL 88 HA VAL 88 1.432 -1.235 4.781 648 HB VAL 88 HB VAL 88 1.378 -4.037 3.653 649 HG11 VAL 88 1HG1 VAL 88 0.782 -2.716 1.547 650 HG12 VAL 88 2HG1 VAL 88 -0.471 -2.896 2.777 651 HG13 VAL 88 3HG1 VAL 88 0.419 -1.379 2.638 652 HG21 VAL 88 1HG2 VAL 88 3.574 -3.556 3.321 653 HG22 VAL 88 2HG2 VAL 88 2.912 -2.702 1.927 654 HG23 VAL 88 3HG2 VAL 88 3.318 -1.813 3.395 655 H GLY 89 H GLY 89 -0.366 -0.706 5.872 656 HA2 GLY 89 1HA GLY 89 -2.420 -2.800 6.171 657 HA3 GLY 89 2HA GLY 89 -2.037 -1.739 7.518 658 H PHE 90 H PHE 90 -4.571 -2.106 6.104 659 HA PHE 90 HA PHE 90 -4.924 0.610 5.019 660 HB2 PHE 90 1HB PHE 90 -5.516 -0.847 3.282 661 HB3 PHE 90 2HB PHE 90 -6.278 -1.994 4.378 662 HD1 PHE 90 2HD PHE 90 -6.645 1.411 2.954 663 HD2 PHE 90 1HD PHE 90 -8.572 -1.929 4.755 664 HE1 PHE 90 2HE PHE 90 -8.835 2.429 2.488 665 HE2 PHE 90 1HE PHE 90 -10.767 -0.916 4.291 666 HZ PHE 90 HZ PHE 90 -10.900 1.266 3.157 667 H SER 91 H SER 91 -5.667 1.884 6.591 668 HA SER 91 HA SER 91 -7.533 0.820 8.569 669 HB2 SER 91 1HB SER 91 -7.197 3.165 9.583 670 HB3 SER 91 2HB SER 91 -5.821 2.062 9.609 671 HG SER 91 HG SER 91 -4.780 3.333 8.286 672 H CYS 92 H CYS 92 -9.650 1.185 8.499 673 HA CYS 92 HA CYS 92 -10.691 3.538 7.133 674 HB2 CYS 92 1HB CYS 92 -11.884 2.459 5.503 675 HB3 CYS 92 2HB CYS 92 -10.524 1.350 5.627 676 HG CYS 92 HG CYS 92 -13.524 0.898 7.212 677 HA PRO 93 HA PRO 93 -13.671 3.538 10.350 678 HB2 PRO 93 1HB PRO 93 -15.849 4.562 9.095 679 HB3 PRO 93 2HB PRO 93 -14.429 5.534 9.502 680 HG2 PRO 93 1HG PRO 93 -15.183 4.287 6.888 681 HG3 PRO 93 2HG PRO 93 -14.528 5.903 7.209 682 HD2 PRO 93 1HD PRO 93 -12.992 3.857 6.321 683 HD3 PRO 93 2HD PRO 93 -12.365 5.126 7.393 684 H GLY 94 H GLY 94 -13.677 1.126 10.351 685 HA2 GLY 94 1HA GLY 94 -15.929 -0.126 10.796 686 HA3 GLY 94 2HA GLY 94 -16.016 -0.064 9.042 687 H VAL 95 H VAL 95 -12.920 -0.288 9.191 688 HA VAL 95 HA VAL 95 -12.676 -3.101 9.939 689 HB VAL 95 HB VAL 95 -12.091 -2.058 7.167 690 HG11 VAL 95 1HG1 VAL 95 -11.278 -4.346 6.691 691 HG12 VAL 95 2HG1 VAL 95 -10.265 -3.480 7.849 692 HG13 VAL 95 3HG1 VAL 95 -11.393 -4.714 8.412 693 HG21 VAL 95 1HG2 VAL 95 -14.090 -3.966 8.318 694 HG22 VAL 95 2HG2 VAL 95 -14.342 -2.625 7.201 695 HG23 VAL 95 3HG2 VAL 95 -13.577 -4.110 6.637 696 H GLN 96 H GLN 96 -10.584 -3.753 10.421 697 HA GLN 96 HA GLN 96 -8.415 -1.830 10.084 698 HB2 GLN 96 1HB GLN 96 -9.032 -3.028 12.785 699 HB3 GLN 96 2HB GLN 96 -7.794 -1.840 12.404 700 HG2 GLN 96 1HG GLN 96 -9.455 -0.170 11.952 701 HG3 GLN 96 2HG GLN 96 -10.750 -1.351 12.137 702 HE21 GLN 96 1HE2 GLN 96 -9.971 1.197 13.567 703 HE22 GLN 96 2HE2 GLN 96 -9.993 0.764 15.240 704 H ASP 97 H ASP 97 -6.809 -2.916 9.182 705 HA ASP 97 HA ASP 97 -5.891 -5.407 10.315 706 HB2 ASP 97 1HB ASP 97 -7.700 -6.057 8.680 707 HB3 ASP 97 2HB ASP 97 -6.694 -5.379 7.403 708 H SER 98 H SER 98 -3.882 -6.176 9.205 709 HA SER 98 HA SER 98 -2.488 -4.270 7.546 710 HB2 SER 98 1HB SER 98 -0.669 -3.827 9.094 711 HB3 SER 98 2HB SER 98 -2.192 -3.340 9.838 712 HG SER 98 HG SER 98 -1.641 -4.614 11.405 713 H ALA 99 H ALA 99 -0.480 -5.082 6.733 714 HA ALA 99 HA ALA 99 -0.132 -7.983 7.123 715 HB1 ALA 99 1HB ALA 99 -1.161 -7.227 4.909 716 HB2 ALA 99 2HB ALA 99 0.442 -6.598 4.523 717 HB3 ALA 99 3HB ALA 99 0.221 -8.320 4.835 718 H ALA 100 H ALA 100 2.118 -8.575 5.960 719 HA ALA 100 HA ALA 100 4.124 -6.691 7.016 720 HB1 ALA 100 1HB ALA 100 5.388 -8.420 7.925 721 HB2 ALA 100 2HB ALA 100 3.729 -8.884 8.306 722 HB3 ALA 100 3HB ALA 100 4.572 -9.652 6.962 723 H LEU 101 H LEU 101 5.463 -5.934 5.523 724 HA LEU 101 HA LEU 101 5.722 -7.388 2.987 725 HB2 LEU 101 1HB LEU 101 4.972 -5.185 2.624 726 HB3 LEU 101 2HB LEU 101 6.144 -4.517 3.759 727 HG LEU 101 HG LEU 101 7.903 -5.381 2.052 728 HD11 LEU 101 1HD1 LEU 101 7.035 -5.271 -0.279 729 HD12 LEU 101 2HD1 LEU 101 5.400 -5.296 0.379 730 HD13 LEU 101 3HD1 LEU 101 6.474 -6.671 0.635 731 HD21 LEU 101 1HD2 LEU 101 7.404 -3.245 0.646 732 HD22 LEU 101 2HD2 LEU 101 7.847 -3.095 2.346 733 HD23 LEU 101 3HD2 LEU 101 6.156 -2.966 1.860 734 H THR 102 H THR 102 7.577 -8.329 2.427 735 HA THR 102 HA THR 102 9.987 -7.691 4.001 736 HB THR 102 HB THR 102 9.235 -10.348 2.767 737 HG1 THR 102 1HG THR 102 9.267 -10.922 5.093 738 HG21 THR 102 1HG2 THR 102 11.415 -10.816 2.851 739 HG22 THR 102 2HG2 THR 102 11.325 -10.655 4.605 740 HG23 THR 102 3HG2 THR 102 11.769 -9.266 3.614 741 H ILE 103 H ILE 103 11.903 -7.386 2.939 742 HA ILE 103 HA ILE 103 11.898 -7.661 0.013 743 HB ILE 103 HB ILE 103 12.942 -5.256 1.512 744 HG12 ILE 103 1HG1 ILE 103 10.726 -5.270 -0.523 745 HG13 ILE 103 2HG1 ILE 103 10.396 -5.559 1.182 746 HG21 ILE 103 1HG2 ILE 103 13.024 -6.041 -1.387 747 HG22 ILE 103 2HG2 ILE 103 13.206 -4.370 -0.855 748 HG23 ILE 103 3HG2 ILE 103 14.364 -5.592 -0.331 749 HD11 ILE 103 1HD1 ILE 103 11.785 -3.328 1.449 750 HD12 ILE 103 2HD1 ILE 103 11.217 -3.075 -0.201 751 HD13 ILE 103 3HD1 ILE 103 10.056 -3.321 1.103 752 H GLN 104 H GLN 104 13.375 -9.198 -0.328 753 HA GLN 104 HA GLN 104 15.752 -9.364 1.335 754 HB2 GLN 104 1HB GLN 104 14.838 -11.102 -0.964 755 HB3 GLN 104 2HB GLN 104 16.215 -11.432 0.078 756 HG2 GLN 104 1HG GLN 104 13.418 -11.151 1.130 757 HG3 GLN 104 2HG GLN 104 14.086 -12.687 0.581 758 HE21 GLN 104 1HE2 GLN 104 13.553 -13.238 2.852 759 HE22 GLN 104 2HE2 GLN 104 14.756 -12.943 4.056 760 H GLU 105 H GLU 105 17.719 -8.665 0.779 761 HA GLU 105 HA GLU 105 18.099 -6.974 -1.436 762 HB2 GLU 105 1HB GLU 105 20.157 -8.355 0.296 763 HB3 GLU 105 2HB GLU 105 20.494 -7.035 -0.815 764 HG2 GLU 105 1HG GLU 105 19.385 -5.477 0.496 765 HG3 GLU 105 2HG GLU 105 18.471 -6.711 1.361 766 H SER 106 H SER 106 18.566 -7.385 -3.491 767 HA SER 106 HA SER 106 18.909 -10.102 -4.374 768 HB2 SER 106 1HB SER 106 18.944 -9.082 -6.651 769 HB3 SER 106 2HB SER 106 17.532 -8.614 -5.704 770 HG SER 106 HG SER 106 18.244 -6.610 -5.600 771 H SER 107 H SER 107 20.885 -7.162 -4.322 772 HA SER 107 HA SER 107 23.182 -8.628 -5.354 773 HB2 SER 107 1HB SER 107 22.665 -6.324 -6.170 774 HB3 SER 107 2HB SER 107 22.996 -5.716 -4.548 775 HG SER 107 HG SER 107 24.735 -6.537 -6.517 776 H GLY 108 H GLY 108 22.294 -9.539 -2.869 777 HA2 GLY 108 1HA GLY 108 24.714 -9.317 -1.354 778 HA3 GLY 108 2HA GLY 108 23.377 -8.477 -0.582 779 HA PRO 109 HA PRO 109 23.416 -12.984 0.687 780 HB2 PRO 109 1HB PRO 109 23.548 -12.517 3.358 781 HB3 PRO 109 2HB PRO 109 24.983 -12.667 2.337 782 HG2 PRO 109 1HG PRO 109 23.620 -10.197 3.339 783 HG3 PRO 109 2HG PRO 109 25.353 -10.561 3.251 784 HD2 PRO 109 1HD PRO 109 24.095 -9.009 1.422 785 HD3 PRO 109 2HD PRO 109 25.475 -10.047 1.007 786 H SER 110 H SER 110 21.753 -14.105 1.850 787 HA SER 110 HA SER 110 19.567 -12.676 3.033 788 HB2 SER 110 1HB SER 110 19.116 -12.340 0.606 789 HB3 SER 110 2HB SER 110 19.053 -14.091 0.406 790 HG SER 110 HG SER 110 17.436 -12.924 2.364 791 H SER 111 H SER 111 18.543 -13.946 4.457 792 HA SER 111 HA SER 111 19.251 -16.789 4.484 793 HB2 SER 111 1HB SER 111 18.357 -16.697 6.842 794 HB3 SER 111 2HB SER 111 19.761 -15.671 6.546 795 HG SER 111 HG SER 111 18.386 -14.340 7.554 796 H GLY 112 H GLY 112 16.423 -14.657 4.770 797 HA2 GLY 112 1HA GLY 112 14.623 -16.940 4.588 798 HA3 GLY 112 2HA GLY 112 14.159 -15.263 4.839 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -18.639 15.702 15.436 2 HA2 GLY 1 1HA GLY 1 -21.528 15.644 15.035 3 HA3 GLY 1 2HA GLY 1 -20.567 14.657 13.943 4 H SER 2 H SER 2 -22.560 13.798 15.873 5 HA SER 2 HA SER 2 -21.019 12.487 17.967 6 HB2 SER 2 1HB SER 2 -23.986 12.318 17.392 7 HB3 SER 2 2HB SER 2 -23.167 11.773 18.855 8 HG SER 2 HG SER 2 -24.136 14.177 18.334 9 H SER 3 H SER 3 -23.179 11.545 15.299 10 HA SER 3 HA SER 3 -21.640 9.080 14.987 11 HB2 SER 3 1HB SER 3 -23.545 8.503 16.453 12 HB3 SER 3 2HB SER 3 -24.659 9.112 15.229 13 HG SER 3 HG SER 3 -23.157 6.771 15.269 14 H GLY 4 H GLY 4 -21.995 8.022 12.922 15 HA2 GLY 4 1HA GLY 4 -22.598 9.995 10.844 16 HA3 GLY 4 2HA GLY 4 -21.709 8.495 10.621 17 H SER 5 H SER 5 -23.082 8.195 8.745 18 HA SER 5 HA SER 5 -25.654 6.980 9.495 19 HB2 SER 5 1HB SER 5 -26.661 7.847 7.425 20 HB3 SER 5 2HB SER 5 -26.102 9.163 8.457 21 HG SER 5 HG SER 5 -25.547 9.024 6.025 22 H SER 6 H SER 6 -24.505 4.974 9.471 23 HA SER 6 HA SER 6 -23.723 3.043 8.549 24 HB2 SER 6 1HB SER 6 -26.051 3.483 7.402 25 HB3 SER 6 2HB SER 6 -25.065 3.736 5.962 26 HG SER 6 HG SER 6 -24.487 1.669 5.967 27 H GLY 7 H GLY 7 -21.919 5.158 8.399 28 HA2 GLY 7 1HA GLY 7 -20.740 4.944 5.713 29 HA3 GLY 7 2HA GLY 7 -20.332 6.159 6.916 30 H THR 8 H THR 8 -20.394 2.593 6.809 31 HA THR 8 HA THR 8 -17.542 2.504 7.329 32 HB THR 8 HB THR 8 -17.755 1.063 9.316 33 HG1 THR 8 1HG THR 8 -20.404 1.852 9.721 34 HG21 THR 8 1HG2 THR 8 -18.336 2.803 10.919 35 HG22 THR 8 2HG2 THR 8 -19.148 3.723 9.652 36 HG23 THR 8 3HG2 THR 8 -17.402 3.485 9.588 37 H ALA 9 H ALA 9 -16.663 0.328 7.176 38 HA ALA 9 HA ALA 9 -18.450 -1.589 5.842 39 HB1 ALA 9 1HB ALA 9 -17.217 -1.724 3.967 40 HB2 ALA 9 2HB ALA 9 -16.675 -0.111 4.433 41 HB3 ALA 9 3HB ALA 9 -15.692 -1.520 4.829 42 H ARG 10 H ARG 10 -17.376 -3.792 5.659 43 HA ARG 10 HA ARG 10 -15.807 -4.322 8.097 44 HB2 ARG 10 1HB ARG 10 -18.083 -5.842 6.854 45 HB3 ARG 10 2HB ARG 10 -16.930 -6.648 7.909 46 HG2 ARG 10 1HG ARG 10 -18.279 -4.154 8.834 47 HG3 ARG 10 2HG ARG 10 -19.144 -5.692 8.876 48 HD2 ARG 10 1HD ARG 10 -16.989 -6.554 10.058 49 HD3 ARG 10 2HD ARG 10 -16.703 -4.844 10.379 50 HE ARG 10 HE ARG 10 -18.735 -6.525 11.561 51 HH11 ARG 10 2HH1 ARG 10 -17.654 -3.277 10.928 52 HH12 ARG 10 1HH1 ARG 10 -18.571 -2.580 12.222 53 HH21 ARG 10 2HH2 ARG 10 -19.948 -5.619 13.267 54 HH22 ARG 10 1HH2 ARG 10 -19.875 -3.913 13.552 55 H LEU 11 H LEU 11 -14.226 -5.956 8.005 56 HA LEU 11 HA LEU 11 -12.944 -6.192 5.447 57 HB2 LEU 11 1HB LEU 11 -11.721 -5.893 7.586 58 HB3 LEU 11 2HB LEU 11 -12.231 -7.512 8.061 59 HG LEU 11 HG LEU 11 -10.942 -8.463 6.212 60 HD11 LEU 11 1HD1 LEU 11 -9.476 -7.098 4.865 61 HD12 LEU 11 2HD1 LEU 11 -10.015 -5.641 5.699 62 HD13 LEU 11 3HD1 LEU 11 -11.139 -6.541 4.682 63 HD21 LEU 11 1HD2 LEU 11 -9.762 -8.390 8.238 64 HD22 LEU 11 2HD2 LEU 11 -9.526 -6.645 8.138 65 HD23 LEU 11 3HD2 LEU 11 -8.651 -7.717 7.044 66 H VAL 12 H VAL 12 -12.803 -7.936 4.128 67 HA VAL 12 HA VAL 12 -14.270 -10.360 4.946 68 HB VAL 12 HB VAL 12 -14.120 -9.178 2.169 69 HG11 VAL 12 1HG1 VAL 12 -14.339 -11.390 1.681 70 HG12 VAL 12 2HG1 VAL 12 -15.082 -11.774 3.235 71 HG13 VAL 12 3HG1 VAL 12 -16.036 -11.006 1.965 72 HG21 VAL 12 1HG2 VAL 12 -16.266 -8.389 2.419 73 HG22 VAL 12 2HG2 VAL 12 -16.651 -9.526 3.711 74 HG23 VAL 12 3HG2 VAL 12 -15.623 -8.131 4.042 75 H ALA 13 H ALA 13 -11.637 -9.046 2.986 76 HA ALA 13 HA ALA 13 -10.266 -11.634 3.227 77 HB1 ALA 13 1HB ALA 13 -11.340 -11.238 0.938 78 HB2 ALA 13 2HB ALA 13 -10.087 -10.018 0.706 79 HB3 ALA 13 3HB ALA 13 -9.638 -11.702 0.977 80 H GLY 14 H GLY 14 -9.161 -10.544 4.985 81 HA2 GLY 14 1HA GLY 14 -7.780 -8.200 4.978 82 HA3 GLY 14 2HA GLY 14 -7.183 -9.651 5.771 83 H LEU 15 H LEU 15 -5.385 -7.851 4.832 84 HA LEU 15 HA LEU 15 -4.527 -8.354 2.172 85 HB2 LEU 15 1HB LEU 15 -2.981 -7.281 4.528 86 HB3 LEU 15 2HB LEU 15 -2.464 -7.212 2.844 87 HG LEU 15 HG LEU 15 -5.062 -5.952 3.549 88 HD11 LEU 15 1HD1 LEU 15 -2.387 -5.006 4.475 89 HD12 LEU 15 2HD1 LEU 15 -3.942 -4.970 5.306 90 HD13 LEU 15 3HD1 LEU 15 -3.616 -3.836 3.995 91 HD21 LEU 15 1HD2 LEU 15 -3.652 -4.254 1.958 92 HD22 LEU 15 2HD2 LEU 15 -4.750 -5.505 1.374 93 HD23 LEU 15 3HD2 LEU 15 -3.016 -5.820 1.455 94 H GLU 16 H GLU 16 -2.486 -9.375 1.562 95 HA GLU 16 HA GLU 16 -1.863 -11.689 3.277 96 HB2 GLU 16 1HB GLU 16 -1.723 -11.577 0.260 97 HB3 GLU 16 2HB GLU 16 -1.429 -12.985 1.270 98 HG2 GLU 16 1HG GLU 16 -3.778 -12.883 2.029 99 HG3 GLU 16 2HG GLU 16 -4.048 -11.549 0.910 100 H ASP 17 H ASP 17 0.157 -11.809 3.984 101 HA ASP 17 HA ASP 17 2.101 -9.951 3.769 102 HB2 ASP 17 1HB ASP 17 2.270 -11.854 5.288 103 HB3 ASP 17 2HB ASP 17 2.535 -12.941 3.927 104 H VAL 18 H VAL 18 3.573 -9.264 2.329 105 HA VAL 18 HA VAL 18 3.978 -10.851 -0.117 106 HB VAL 18 HB VAL 18 3.549 -7.863 0.011 107 HG11 VAL 18 1HG1 VAL 18 5.259 -8.385 -1.616 108 HG12 VAL 18 2HG1 VAL 18 4.242 -9.640 -2.326 109 HG13 VAL 18 3HG1 VAL 18 3.767 -7.946 -2.446 110 HG21 VAL 18 1HG2 VAL 18 1.685 -8.576 -1.653 111 HG22 VAL 18 2HG2 VAL 18 1.872 -10.163 -0.907 112 HG23 VAL 18 3HG2 VAL 18 1.422 -8.773 0.080 113 H GLN 19 H GLN 19 6.049 -11.249 -0.507 114 HA GLN 19 HA GLN 19 8.067 -9.382 0.549 115 HB2 GLN 19 1HB GLN 19 9.453 -11.148 1.243 116 HB3 GLN 19 2HB GLN 19 7.844 -11.614 1.778 117 HG2 GLN 19 1HG GLN 19 7.615 -13.146 -0.050 118 HG3 GLN 19 2HG GLN 19 9.132 -12.592 -0.757 119 HE21 GLN 19 1HE2 GLN 19 7.885 -13.892 2.301 120 HE22 GLN 19 2HE2 GLN 19 9.226 -14.939 2.599 121 H VAL 20 H VAL 20 9.554 -8.686 -0.860 122 HA VAL 20 HA VAL 20 10.131 -10.214 -3.271 123 HB VAL 20 HB VAL 20 9.753 -8.326 -4.773 124 HG11 VAL 20 1HG1 VAL 20 7.209 -8.221 -4.523 125 HG12 VAL 20 2HG1 VAL 20 7.944 -9.813 -4.725 126 HG13 VAL 20 3HG1 VAL 20 7.430 -9.274 -3.126 127 HG21 VAL 20 1HG2 VAL 20 8.535 -6.339 -4.003 128 HG22 VAL 20 2HG2 VAL 20 8.613 -6.940 -2.347 129 HG23 VAL 20 3HG2 VAL 20 10.095 -6.504 -3.197 130 H TYR 21 H TYR 21 12.061 -9.566 -4.333 131 HA TYR 21 HA TYR 21 14.042 -8.528 -2.546 132 HB2 TYR 21 1HB TYR 21 14.069 -9.553 -5.367 133 HB3 TYR 21 2HB TYR 21 15.483 -8.736 -4.709 134 HD1 TYR 21 1HD TYR 21 13.073 -11.219 -3.286 135 HD2 TYR 21 2HD TYR 21 17.121 -10.275 -4.197 136 HE1 TYR 21 1HE TYR 21 13.794 -13.324 -2.237 137 HE2 TYR 21 2HE TYR 21 17.853 -12.377 -3.152 138 HH TYR 21 HH TYR 21 17.183 -14.339 -2.295 139 H ASP 22 H ASP 22 15.467 -6.737 -3.016 140 HA ASP 22 HA ASP 22 14.217 -4.325 -3.403 141 HB2 ASP 22 1HB ASP 22 16.297 -4.039 -2.480 142 HB3 ASP 22 2HB ASP 22 17.048 -5.231 -3.538 143 H GLY 23 H GLY 23 14.027 -2.855 -5.110 144 HA2 GLY 23 1HA GLY 23 14.005 -2.135 -7.318 145 HA3 GLY 23 2HA GLY 23 14.882 -3.589 -7.771 146 H GLU 24 H GLU 24 12.947 -5.373 -6.493 147 HA GLU 24 HA GLU 24 11.276 -5.863 -8.682 148 HB2 GLU 24 1HB GLU 24 10.975 -6.774 -5.815 149 HB3 GLU 24 2HB GLU 24 10.098 -7.446 -7.183 150 HG2 GLU 24 1HG GLU 24 13.041 -7.602 -6.617 151 HG3 GLU 24 2HG GLU 24 11.878 -8.922 -6.715 152 H ASP 25 H ASP 25 8.751 -6.273 -7.973 153 HA ASP 25 HA ASP 25 7.760 -3.650 -7.067 154 HB2 ASP 25 1HB ASP 25 6.191 -5.259 -9.034 155 HB3 ASP 25 2HB ASP 25 6.244 -3.514 -8.803 156 H ALA 26 H ALA 26 6.766 -3.889 -5.183 157 HA ALA 26 HA ALA 26 5.433 -6.420 -4.560 158 HB1 ALA 26 1HB ALA 26 6.251 -4.098 -2.825 159 HB2 ALA 26 2HB ALA 26 5.336 -5.488 -2.241 160 HB3 ALA 26 3HB ALA 26 6.966 -5.710 -2.877 161 H VAL 27 H VAL 27 3.289 -6.622 -4.544 162 HA VAL 27 HA VAL 27 1.629 -4.205 -4.343 163 HB VAL 27 HB VAL 27 1.368 -4.467 -6.600 164 HG11 VAL 27 1HG1 VAL 27 1.555 -7.464 -6.321 165 HG12 VAL 27 2HG1 VAL 27 1.525 -6.540 -7.824 166 HG13 VAL 27 3HG1 VAL 27 2.903 -6.404 -6.731 167 HG21 VAL 27 1HG2 VAL 27 -0.593 -6.605 -5.847 168 HG22 VAL 27 2HG2 VAL 27 -0.800 -4.943 -5.293 169 HG23 VAL 27 3HG2 VAL 27 -0.768 -5.299 -7.019 170 H PHE 28 H PHE 28 -0.226 -4.426 -3.183 171 HA PHE 28 HA PHE 28 -0.728 -7.082 -2.012 172 HB2 PHE 28 1HB PHE 28 -1.068 -4.314 -0.867 173 HB3 PHE 28 2HB PHE 28 -1.822 -5.729 -0.141 174 HD1 PHE 28 2HD PHE 28 1.356 -4.046 -0.852 175 HD2 PHE 28 1HD PHE 28 -0.528 -7.352 1.056 176 HE1 PHE 28 2HE PHE 28 3.431 -4.510 0.385 177 HE2 PHE 28 1HE PHE 28 1.545 -7.821 2.296 178 HZ PHE 28 HZ PHE 28 3.528 -6.400 1.961 179 H SER 29 H SER 29 -3.072 -7.251 -1.168 180 HA SER 29 HA SER 29 -5.080 -5.827 -2.642 181 HB2 SER 29 1HB SER 29 -5.942 -7.698 -3.930 182 HB3 SER 29 2HB SER 29 -4.251 -7.434 -4.355 183 HG SER 29 HG SER 29 -5.256 -9.678 -3.656 184 H LEU 30 H LEU 30 -7.160 -6.179 -1.850 185 HA LEU 30 HA LEU 30 -7.615 -8.235 0.139 186 HB2 LEU 30 1HB LEU 30 -8.166 -6.775 1.934 187 HB3 LEU 30 2HB LEU 30 -6.551 -6.352 1.368 188 HG LEU 30 HG LEU 30 -7.936 -4.563 -0.034 189 HD11 LEU 30 1HD1 LEU 30 -9.611 -4.992 2.436 190 HD12 LEU 30 2HD1 LEU 30 -10.109 -5.334 0.780 191 HD13 LEU 30 3HD1 LEU 30 -9.782 -3.674 1.276 192 HD21 LEU 30 1HD2 LEU 30 -7.108 -4.355 2.856 193 HD22 LEU 30 2HD2 LEU 30 -7.531 -2.973 1.846 194 HD23 LEU 30 3HD2 LEU 30 -6.139 -3.976 1.432 195 H ASP 31 H ASP 31 -9.923 -7.895 1.096 196 HA ASP 31 HA ASP 31 -11.722 -6.739 -0.909 197 HB2 ASP 31 1HB ASP 31 -12.086 -9.520 0.222 198 HB3 ASP 31 2HB ASP 31 -13.102 -8.725 -0.978 199 H LEU 32 H LEU 32 -13.749 -6.111 -0.126 200 HA LEU 32 HA LEU 32 -14.075 -6.241 2.797 201 HB2 LEU 32 1HB LEU 32 -14.861 -3.876 1.116 202 HB3 LEU 32 2HB LEU 32 -14.805 -3.986 2.874 203 HG LEU 32 HG LEU 32 -12.373 -4.077 1.093 204 HD11 LEU 32 1HD1 LEU 32 -12.442 -1.726 2.641 205 HD12 LEU 32 2HD1 LEU 32 -14.007 -1.857 1.839 206 HD13 LEU 32 3HD1 LEU 32 -12.524 -1.877 0.885 207 HD21 LEU 32 1HD2 LEU 32 -11.532 -4.948 2.991 208 HD22 LEU 32 2HD2 LEU 32 -12.862 -4.349 3.982 209 HD23 LEU 32 3HD2 LEU 32 -11.542 -3.269 3.532 210 H SER 33 H SER 33 -16.321 -5.873 3.520 211 HA SER 33 HA SER 33 -18.121 -7.505 2.028 212 HB2 SER 33 1HB SER 33 -18.214 -6.039 4.625 213 HB3 SER 33 2HB SER 33 -19.744 -6.523 3.894 214 HG SER 33 HG SER 33 -18.824 -8.110 5.325 215 H THR 34 H THR 34 -17.641 -4.071 2.399 216 HA THR 34 HA THR 34 -19.584 -3.593 0.275 217 HB THR 34 HB THR 34 -20.811 -3.258 2.417 218 HG1 THR 34 1HG THR 34 -20.604 -0.676 1.422 219 HG21 THR 34 1HG2 THR 34 -20.245 -1.213 3.734 220 HG22 THR 34 2HG2 THR 34 -18.740 -1.100 2.822 221 HG23 THR 34 3HG2 THR 34 -19.043 -2.496 3.856 222 H ILE 35 H ILE 35 -19.507 -1.168 -0.344 223 HA ILE 35 HA ILE 35 -16.784 -0.554 -0.966 224 HB ILE 35 HB ILE 35 -19.134 1.280 -1.390 225 HG12 ILE 35 1HG1 ILE 35 -18.203 -0.957 -3.203 226 HG13 ILE 35 2HG1 ILE 35 -19.666 -0.997 -2.225 227 HG21 ILE 35 1HG2 ILE 35 -17.801 2.460 -2.767 228 HG22 ILE 35 2HG2 ILE 35 -16.505 1.707 -1.839 229 HG23 ILE 35 3HG2 ILE 35 -16.993 1.021 -3.389 230 HD11 ILE 35 1HD1 ILE 35 -19.776 -0.361 -4.743 231 HD12 ILE 35 2HD1 ILE 35 -20.760 0.509 -3.565 232 HD13 ILE 35 3HD1 ILE 35 -19.265 1.225 -4.166 233 H ILE 36 H ILE 36 -15.547 1.198 -0.305 234 HA ILE 36 HA ILE 36 -16.455 3.207 1.468 235 HB ILE 36 HB ILE 36 -16.504 1.360 3.081 236 HG12 ILE 36 1HG1 ILE 36 -14.130 3.113 3.705 237 HG13 ILE 36 2HG1 ILE 36 -15.776 3.737 3.675 238 HG21 ILE 36 1HG2 ILE 36 -13.543 1.092 2.986 239 HG22 ILE 36 2HG2 ILE 36 -14.767 -0.066 3.506 240 HG23 ILE 36 3HG2 ILE 36 -14.507 0.230 1.787 241 HD11 ILE 36 1HD1 ILE 36 -15.628 1.362 5.282 242 HD12 ILE 36 2HD1 ILE 36 -14.450 2.561 5.817 243 HD13 ILE 36 3HD1 ILE 36 -16.158 2.986 5.718 244 H GLN 37 H GLN 37 -14.874 4.771 1.900 245 HA GLN 37 HA GLN 37 -12.489 4.526 0.220 246 HB2 GLN 37 1HB GLN 37 -13.969 6.469 -0.140 247 HB3 GLN 37 2HB GLN 37 -13.697 6.972 1.523 248 HG2 GLN 37 1HG GLN 37 -11.195 6.967 0.849 249 HG3 GLN 37 2HG GLN 37 -11.823 7.026 -0.798 250 HE21 GLN 37 1HE2 GLN 37 -10.304 8.994 0.803 251 HE22 GLN 37 2HE2 GLN 37 -11.249 10.440 0.765 252 H GLY 38 H GLY 38 -10.830 3.648 1.302 253 HA2 GLY 38 1HA GLY 38 -10.340 4.549 4.066 254 HA3 GLY 38 2HA GLY 38 -9.765 3.035 3.384 255 H THR 39 H THR 39 -7.700 3.790 4.304 256 HA THR 39 HA THR 39 -6.247 5.368 2.305 257 HB THR 39 HB THR 39 -6.078 5.821 5.290 258 HG1 THR 39 1HG THR 39 -7.591 7.205 4.721 259 HG21 THR 39 1HG2 THR 39 -3.874 5.853 4.020 260 HG22 THR 39 2HG2 THR 39 -4.287 7.318 4.910 261 HG23 THR 39 3HG2 THR 39 -4.507 7.257 3.161 262 H TRP 40 H TRP 40 -4.090 4.806 2.036 263 HA TRP 40 HA TRP 40 -3.371 2.204 3.161 264 HB2 TRP 40 1HB TRP 40 -2.405 3.774 0.781 265 HB3 TRP 40 2HB TRP 40 -1.503 2.392 1.395 266 HD1 TRP 40 HD TRP 40 -4.402 3.279 -0.792 267 HE1 TRP 40 1HE TRP 40 -5.538 1.136 -1.653 268 HE3 TRP 40 3HE TRP 40 -2.087 -0.136 2.227 269 HZ2 TRP 40 2HZ TRP 40 -5.463 -1.635 -1.123 270 HZ3 TRP 40 3HZ TRP 40 -2.676 -2.513 1.987 271 HH2 TRP 40 HH TRP 40 -4.329 -3.245 0.346 272 H PHE 41 H PHE 41 -1.535 1.837 4.342 273 HA PHE 41 HA PHE 41 -0.020 4.228 5.160 274 HB2 PHE 41 1HB PHE 41 -1.157 1.971 6.731 275 HB3 PHE 41 2HB PHE 41 0.396 2.617 7.250 276 HD1 PHE 41 2HD PHE 41 -2.967 3.850 6.205 277 HD2 PHE 41 1HD PHE 41 0.378 4.306 8.797 278 HE1 PHE 41 2HE PHE 41 -4.124 5.682 7.370 279 HE2 PHE 41 1HE PHE 41 -0.774 6.138 9.967 280 HZ PHE 41 HZ PHE 41 -3.028 6.830 9.253 281 H LEU 42 H LEU 42 2.211 3.809 5.865 282 HA LEU 42 HA LEU 42 3.435 1.358 4.896 283 HB2 LEU 42 1HB LEU 42 3.377 2.810 2.927 284 HB3 LEU 42 2HB LEU 42 4.214 4.070 3.832 285 HG LEU 42 HG LEU 42 6.099 2.320 4.082 286 HD11 LEU 42 1HD1 LEU 42 5.877 0.359 3.076 287 HD12 LEU 42 2HD1 LEU 42 5.557 1.149 1.532 288 HD13 LEU 42 3HD1 LEU 42 4.226 0.797 2.635 289 HD21 LEU 42 1HD2 LEU 42 6.330 2.917 1.336 290 HD22 LEU 42 2HD2 LEU 42 7.042 3.777 2.702 291 HD23 LEU 42 3HD2 LEU 42 5.460 4.257 2.084 292 H ASN 43 H ASN 43 4.622 0.733 6.568 293 HA ASN 43 HA ASN 43 6.108 0.735 8.290 294 HB2 ASN 43 1HB ASN 43 6.996 3.230 6.846 295 HB3 ASN 43 2HB ASN 43 7.811 2.643 8.292 296 HD21 ASN 43 1HD2 ASN 43 8.029 2.695 5.080 297 HD22 ASN 43 2HD2 ASN 43 8.867 1.211 4.793 298 H GLY 44 H GLY 44 3.549 1.661 8.851 299 HA2 GLY 44 1HA GLY 44 2.547 2.504 10.772 300 HA3 GLY 44 2HA GLY 44 4.089 3.212 11.232 301 H GLU 45 H GLU 45 4.377 4.553 8.613 302 HA GLU 45 HA GLU 45 2.924 6.943 9.296 303 HB2 GLU 45 1HB GLU 45 4.983 6.227 7.240 304 HB3 GLU 45 2HB GLU 45 4.076 7.724 7.082 305 HG2 GLU 45 1HG GLU 45 5.028 8.664 8.945 306 HG3 GLU 45 2HG GLU 45 5.406 7.103 9.671 307 H GLU 46 H GLU 46 1.888 8.206 7.423 308 HA GLU 46 HA GLU 46 0.031 6.386 6.049 309 HB2 GLU 46 1HB GLU 46 -0.999 7.957 7.640 310 HB3 GLU 46 2HB GLU 46 -0.310 9.307 6.749 311 HG2 GLU 46 1HG GLU 46 -1.616 8.589 4.764 312 HG3 GLU 46 2HG GLU 46 -2.385 7.362 5.769 313 H LEU 47 H LEU 47 -0.698 6.984 3.901 314 HA LEU 47 HA LEU 47 1.465 8.229 2.356 315 HB2 LEU 47 1HB LEU 47 -0.744 6.357 1.521 316 HB3 LEU 47 2HB LEU 47 0.430 7.071 0.417 317 HG LEU 47 HG LEU 47 1.345 5.401 2.728 318 HD11 LEU 47 1HD1 LEU 47 -0.453 4.380 0.976 319 HD12 LEU 47 2HD1 LEU 47 0.800 3.440 1.785 320 HD13 LEU 47 3HD1 LEU 47 1.065 4.035 0.147 321 HD21 LEU 47 1HD2 LEU 47 3.048 4.868 0.799 322 HD22 LEU 47 2HD2 LEU 47 3.188 6.346 1.750 323 HD23 LEU 47 3HD2 LEU 47 2.451 6.394 0.148 324 H LYS 48 H LYS 48 1.085 9.873 0.913 325 HA LYS 48 HA LYS 48 -1.357 11.386 1.352 326 HB2 LYS 48 1HB LYS 48 1.114 12.061 -0.257 327 HB3 LYS 48 2HB LYS 48 -0.218 13.161 0.075 328 HG2 LYS 48 1HG LYS 48 0.316 12.682 2.558 329 HG3 LYS 48 2HG LYS 48 1.864 12.100 1.938 330 HD2 LYS 48 1HD LYS 48 0.833 14.767 1.070 331 HD3 LYS 48 2HD LYS 48 1.586 14.599 2.658 332 HE2 LYS 48 1HE LYS 48 3.648 14.025 1.757 333 HE3 LYS 48 2HE LYS 48 2.948 13.529 0.217 334 HZ1 LYS 48 1HZ LYS 48 4.011 15.570 -0.174 335 HZ2 LYS 48 2HZ LYS 48 3.371 16.283 1.220 336 HZ3 LYS 48 3HZ LYS 48 2.363 15.944 -0.096 337 H SER 49 H SER 49 -3.066 10.805 0.174 338 HA SER 49 HA SER 49 -2.792 9.638 -2.443 339 HB2 SER 49 1HB SER 49 -5.311 9.667 -2.398 340 HB3 SER 49 2HB SER 49 -4.567 8.807 -1.051 341 HG SER 49 HG SER 49 -5.048 11.503 -0.646 342 H ASN 50 H ASN 50 -1.636 12.139 -2.458 343 HA ASN 50 HA ASN 50 -3.411 13.564 -4.310 344 HB2 ASN 50 1HB ASN 50 -2.313 15.712 -3.329 345 HB3 ASN 50 2HB ASN 50 -3.650 14.963 -2.461 346 HD21 ASN 50 1HD2 ASN 50 -3.342 14.268 -0.435 347 HD22 ASN 50 2HD2 ASN 50 -1.830 14.311 0.401 348 H GLU 51 H GLU 51 -2.078 15.329 -5.496 349 HA GLU 51 HA GLU 51 -0.048 14.039 -6.948 350 HB2 GLU 51 1HB GLU 51 0.327 16.231 -8.006 351 HB3 GLU 51 2HB GLU 51 -1.380 15.822 -7.925 352 HG2 GLU 51 1HG GLU 51 -1.705 17.310 -6.069 353 HG3 GLU 51 2HG GLU 51 0.025 17.636 -5.980 354 HA PRO 52 HA PRO 52 3.489 14.645 -4.387 355 HB2 PRO 52 1HB PRO 52 5.406 14.259 -6.270 356 HB3 PRO 52 2HB PRO 52 4.451 12.938 -5.586 357 HG2 PRO 52 1HG PRO 52 4.095 14.385 -8.182 358 HG3 PRO 52 2HG PRO 52 3.984 12.648 -7.846 359 HD2 PRO 52 1HD PRO 52 1.798 14.225 -8.097 360 HD3 PRO 52 2HD PRO 52 1.841 12.817 -7.016 361 H GLU 53 H GLU 53 3.355 16.838 -3.856 362 HA GLU 53 HA GLU 53 5.016 18.591 -5.528 363 HB2 GLU 53 1HB GLU 53 3.493 20.471 -5.092 364 HB3 GLU 53 2HB GLU 53 2.699 19.183 -5.987 365 HG2 GLU 53 1HG GLU 53 1.461 18.496 -4.114 366 HG3 GLU 53 2HG GLU 53 2.469 19.427 -3.007 367 H GLY 54 H GLY 54 5.900 17.174 -3.300 368 HA2 GLY 54 1HA GLY 54 6.548 19.408 -1.515 369 HA3 GLY 54 2HA GLY 54 5.882 17.947 -0.800 370 H GLN 55 H GLN 55 7.200 16.253 -0.390 371 HA GLN 55 HA GLN 55 10.044 16.655 -0.949 372 HB2 GLN 55 1HB GLN 55 8.945 16.106 1.388 373 HB3 GLN 55 2HB GLN 55 9.033 14.452 0.796 374 HG2 GLN 55 1HG GLN 55 11.467 14.795 0.402 375 HG3 GLN 55 2HG GLN 55 11.318 16.366 1.187 376 HE21 GLN 55 1HE2 GLN 55 12.394 13.411 1.715 377 HE22 GLN 55 2HE2 GLN 55 12.076 13.233 3.404 378 H VAL 56 H VAL 56 7.623 14.043 -1.049 379 HA VAL 56 HA VAL 56 9.240 12.175 -2.391 380 HB VAL 56 HB VAL 56 7.163 11.558 -1.221 381 HG11 VAL 56 1HG1 VAL 56 4.993 11.944 -2.268 382 HG12 VAL 56 2HG1 VAL 56 5.796 13.472 -1.897 383 HG13 VAL 56 3HG1 VAL 56 5.769 12.867 -3.554 384 HG21 VAL 56 1HG2 VAL 56 7.903 10.708 -3.905 385 HG22 VAL 56 2HG2 VAL 56 7.512 9.745 -2.481 386 HG23 VAL 56 3HG2 VAL 56 6.220 10.358 -3.512 387 H GLU 57 H GLU 57 9.801 11.938 -4.464 388 HA GLU 57 HA GLU 57 8.748 13.871 -6.397 389 HB2 GLU 57 1HB GLU 57 11.128 12.039 -6.711 390 HB3 GLU 57 2HB GLU 57 10.706 13.414 -7.721 391 HG2 GLU 57 1HG GLU 57 11.171 14.942 -5.925 392 HG3 GLU 57 2HG GLU 57 11.451 13.604 -4.813 393 HA PRO 58 HA PRO 58 6.464 10.889 -8.668 394 HB2 PRO 58 1HB PRO 58 6.743 11.834 -11.198 395 HB3 PRO 58 2HB PRO 58 5.735 12.628 -9.982 396 HG2 PRO 58 1HG PRO 58 8.515 13.297 -10.867 397 HG3 PRO 58 2HG PRO 58 7.152 14.384 -10.542 398 HD2 PRO 58 1HD PRO 58 9.152 13.982 -8.761 399 HD3 PRO 58 2HD PRO 58 7.482 14.320 -8.261 400 H GLY 59 H GLY 59 9.763 11.016 -8.759 401 HA2 GLY 59 1HA GLY 59 9.911 8.760 -10.664 402 HA3 GLY 59 2HA GLY 59 11.203 9.935 -10.465 403 H ALA 60 H ALA 60 10.901 10.014 -7.548 404 HA ALA 60 HA ALA 60 12.783 8.069 -6.846 405 HB1 ALA 60 1HB ALA 60 11.177 10.075 -5.440 406 HB2 ALA 60 2HB ALA 60 11.633 8.683 -4.456 407 HB3 ALA 60 3HB ALA 60 12.877 9.645 -5.254 408 H LEU 61 H LEU 61 9.414 8.214 -5.674 409 HA LEU 61 HA LEU 61 9.430 5.268 -5.583 410 HB2 LEU 61 1HB LEU 61 9.308 6.096 -3.363 411 HB3 LEU 61 2HB LEU 61 8.084 7.285 -3.804 412 HG LEU 61 HG LEU 61 6.514 5.375 -4.227 413 HD11 LEU 61 1HD1 LEU 61 8.784 3.823 -3.003 414 HD12 LEU 61 2HD1 LEU 61 8.020 3.567 -4.571 415 HD13 LEU 61 3HD1 LEU 61 7.125 3.230 -3.089 416 HD21 LEU 61 1HD2 LEU 61 7.499 6.399 -1.700 417 HD22 LEU 61 2HD2 LEU 61 6.787 4.793 -1.534 418 HD23 LEU 61 3HD2 LEU 61 5.843 6.109 -2.234 419 H ARG 62 H ARG 62 7.747 4.159 -6.472 420 HA ARG 62 HA ARG 62 5.640 5.759 -7.770 421 HB2 ARG 62 1HB ARG 62 7.214 3.420 -8.820 422 HB3 ARG 62 2HB ARG 62 5.641 3.836 -9.485 423 HG2 ARG 62 1HG ARG 62 7.934 5.774 -9.330 424 HG3 ARG 62 2HG ARG 62 7.614 4.746 -10.729 425 HD2 ARG 62 1HD ARG 62 5.606 6.663 -9.559 426 HD3 ARG 62 2HD ARG 62 6.691 7.071 -10.888 427 HE ARG 62 HE ARG 62 4.360 5.361 -10.999 428 HH11 ARG 62 2HH1 ARG 62 7.309 6.376 -12.546 429 HH12 ARG 62 1HH1 ARG 62 6.812 5.861 -14.124 430 HH21 ARG 62 2HH2 ARG 62 3.694 4.679 -13.071 431 HH22 ARG 62 1HH2 ARG 62 4.755 4.897 -14.422 432 H TYR 63 H TYR 63 3.732 5.360 -6.883 433 HA TYR 63 HA TYR 63 3.078 2.595 -6.126 434 HB2 TYR 63 1HB TYR 63 1.866 3.447 -4.151 435 HB3 TYR 63 2HB TYR 63 3.587 3.807 -4.073 436 HD1 TYR 63 1HD TYR 63 4.314 6.165 -4.860 437 HD2 TYR 63 2HD TYR 63 0.310 5.149 -3.839 438 HE1 TYR 63 1HE TYR 63 3.804 8.546 -4.512 439 HE2 TYR 63 2HE TYR 63 -0.211 7.527 -3.489 440 HH TYR 63 HH TYR 63 0.859 9.601 -3.055 441 H ARG 64 H ARG 64 0.941 1.972 -6.418 442 HA ARG 64 HA ARG 64 -0.818 3.925 -7.741 443 HB2 ARG 64 1HB ARG 64 0.237 2.409 -9.405 444 HB3 ARG 64 2HB ARG 64 -0.472 1.037 -8.564 445 HG2 ARG 64 1HG ARG 64 -2.658 1.659 -9.170 446 HG3 ARG 64 2HG ARG 64 -2.141 3.269 -9.677 447 HD2 ARG 64 1HD ARG 64 -1.341 0.682 -11.006 448 HD3 ARG 64 2HD ARG 64 -2.603 1.771 -11.581 449 HE ARG 64 HE ARG 64 0.000 2.982 -11.252 450 HH11 ARG 64 2HH1 ARG 64 -2.195 1.349 -13.405 451 HH12 ARG 64 1HH1 ARG 64 -1.438 1.951 -14.843 452 HH21 ARG 64 2HH2 ARG 64 1.005 3.781 -13.137 453 HH22 ARG 64 1HH2 ARG 64 0.382 3.334 -14.689 454 H ILE 65 H ILE 65 -2.545 4.201 -6.503 455 HA ILE 65 HA ILE 65 -3.536 1.935 -4.914 456 HB ILE 65 HB ILE 65 -4.061 4.891 -4.589 457 HG12 ILE 65 1HG1 ILE 65 -2.648 3.097 -2.634 458 HG13 ILE 65 2HG1 ILE 65 -1.769 3.850 -3.961 459 HG21 ILE 65 1HG2 ILE 65 -5.938 3.294 -3.966 460 HG22 ILE 65 2HG2 ILE 65 -4.871 2.710 -2.690 461 HG23 ILE 65 3HG2 ILE 65 -5.383 4.397 -2.708 462 HD11 ILE 65 1HD1 ILE 65 -3.010 6.004 -2.977 463 HD12 ILE 65 2HD1 ILE 65 -2.882 5.036 -1.508 464 HD13 ILE 65 3HD1 ILE 65 -1.431 5.451 -2.419 465 H GLU 66 H GLU 66 -5.338 0.951 -5.529 466 HA GLU 66 HA GLU 66 -7.293 2.457 -7.135 467 HB2 GLU 66 1HB GLU 66 -7.768 0.270 -8.314 468 HB3 GLU 66 2HB GLU 66 -6.229 1.027 -8.700 469 HG2 GLU 66 1HG GLU 66 -5.007 -0.592 -7.658 470 HG3 GLU 66 2HG GLU 66 -6.295 -0.987 -6.521 471 H GLN 67 H GLN 67 -9.171 2.594 -6.120 472 HA GLN 67 HA GLN 67 -10.005 0.358 -4.392 473 HB2 GLN 67 1HB GLN 67 -9.438 2.171 -2.942 474 HB3 GLN 67 2HB GLN 67 -10.312 3.325 -3.941 475 HG2 GLN 67 1HG GLN 67 -11.826 1.064 -2.754 476 HG3 GLN 67 2HG GLN 67 -11.322 2.385 -1.701 477 HE21 GLN 67 1HE2 GLN 67 -13.967 1.868 -2.069 478 HE22 GLN 67 2HE2 GLN 67 -14.693 3.131 -2.998 479 H LYS 68 H LYS 68 -11.561 -0.668 -5.472 480 HA LYS 68 HA LYS 68 -13.877 0.878 -6.360 481 HB2 LYS 68 1HB LYS 68 -13.994 -0.270 -8.496 482 HB3 LYS 68 2HB LYS 68 -12.455 0.569 -8.354 483 HG2 LYS 68 1HG LYS 68 -11.561 -1.710 -7.522 484 HG3 LYS 68 2HG LYS 68 -13.022 -2.364 -8.267 485 HD2 LYS 68 1HD LYS 68 -11.336 -0.485 -9.848 486 HD3 LYS 68 2HD LYS 68 -10.767 -2.140 -9.622 487 HE2 LYS 68 1HE LYS 68 -13.502 -1.427 -10.665 488 HE3 LYS 68 2HE LYS 68 -12.115 -1.762 -11.699 489 HZ1 LYS 68 1HZ LYS 68 -12.554 -3.908 -11.521 490 HZ2 LYS 68 2HZ LYS 68 -13.873 -3.588 -10.513 491 HZ3 LYS 68 3HZ LYS 68 -12.340 -3.841 -9.844 492 H GLY 69 H GLY 69 -15.809 -0.150 -6.077 493 HA2 GLY 69 1HA GLY 69 -17.138 -1.597 -4.809 494 HA3 GLY 69 2HA GLY 69 -16.611 -2.674 -6.093 495 H LEU 70 H LEU 70 -15.961 -1.606 -2.805 496 HA LEU 70 HA LEU 70 -14.570 -2.500 -1.187 497 HB2 LEU 70 1HB LEU 70 -15.299 -5.050 -0.961 498 HB3 LEU 70 2HB LEU 70 -16.333 -3.711 -0.466 499 HG LEU 70 HG LEU 70 -16.608 -4.753 -3.241 500 HD11 LEU 70 1HD1 LEU 70 -16.500 -6.760 -1.790 501 HD12 LEU 70 2HD1 LEU 70 -18.073 -6.526 -2.552 502 HD13 LEU 70 3HD1 LEU 70 -17.847 -6.111 -0.854 503 HD21 LEU 70 1HD2 LEU 70 -18.912 -4.179 -1.497 504 HD22 LEU 70 2HD2 LEU 70 -18.612 -3.723 -3.174 505 HD23 LEU 70 3HD2 LEU 70 -17.864 -2.808 -1.864 506 H GLN 71 H GLN 71 -13.323 -2.514 -3.807 507 HA GLN 71 HA GLN 71 -11.542 -4.830 -3.439 508 HB2 GLN 71 1HB GLN 71 -13.137 -4.749 -5.531 509 HB3 GLN 71 2HB GLN 71 -11.933 -3.626 -6.148 510 HG2 GLN 71 1HG GLN 71 -10.219 -5.275 -6.018 511 HG3 GLN 71 2HG GLN 71 -11.280 -6.386 -5.154 512 HE21 GLN 71 1HE2 GLN 71 -11.630 -8.040 -6.457 513 HE22 GLN 71 2HE2 GLN 71 -12.117 -7.940 -8.111 514 H HIS 72 H HIS 72 -9.822 -3.913 -2.475 515 HA HIS 72 HA HIS 72 -8.718 -1.453 -3.653 516 HB2 HIS 72 1HB HIS 72 -8.247 -2.663 -0.920 517 HB3 HIS 72 2HB HIS 72 -7.512 -1.177 -1.514 518 HD2 HIS 72 2HD HIS 72 -11.303 -2.322 -1.196 519 HE1 HIS 72 1HE HIS 72 -10.873 1.672 0.169 520 HE2 HIS 72 2HE HIS 72 -12.456 -0.264 -0.136 521 H ARG 73 H ARG 73 -6.406 -1.285 -3.884 522 HA ARG 73 HA ARG 73 -4.727 -3.580 -3.635 523 HB2 ARG 73 1HB ARG 73 -6.160 -4.014 -5.724 524 HB3 ARG 73 2HB ARG 73 -5.240 -2.715 -6.471 525 HG2 ARG 73 1HG ARG 73 -3.159 -3.990 -5.939 526 HG3 ARG 73 2HG ARG 73 -4.187 -5.327 -5.417 527 HD2 ARG 73 1HD ARG 73 -5.265 -5.197 -7.712 528 HD3 ARG 73 2HD ARG 73 -3.933 -4.135 -8.166 529 HE ARG 73 HE ARG 73 -2.619 -6.248 -7.202 530 HH11 ARG 73 2HH1 ARG 73 -5.291 -6.029 -9.423 531 HH12 ARG 73 1HH1 ARG 73 -4.857 -7.464 -10.290 532 HH21 ARG 73 2HH2 ARG 73 -2.037 -8.139 -8.336 533 HH22 ARG 73 1HH2 ARG 73 -3.007 -8.665 -9.671 534 H LEU 74 H LEU 74 -2.758 -2.829 -3.233 535 HA LEU 74 HA LEU 74 -2.004 -0.207 -4.347 536 HB2 LEU 74 1HB LEU 74 -2.266 0.057 -2.010 537 HB3 LEU 74 2HB LEU 74 -1.405 -1.443 -1.674 538 HG LEU 74 HG LEU 74 0.676 -0.348 -2.523 539 HD11 LEU 74 1HD1 LEU 74 -0.698 1.408 -3.801 540 HD12 LEU 74 2HD1 LEU 74 0.782 1.926 -2.996 541 HD13 LEU 74 3HD1 LEU 74 -0.784 2.254 -2.256 542 HD21 LEU 74 1HD2 LEU 74 0.957 1.102 -0.510 543 HD22 LEU 74 2HD2 LEU 74 0.342 -0.514 -0.162 544 HD23 LEU 74 3HD2 LEU 74 -0.757 0.867 -0.167 545 H ILE 75 H ILE 75 -0.491 -0.391 -5.850 546 HA ILE 75 HA ILE 75 1.451 -2.592 -5.644 547 HB ILE 75 HB ILE 75 0.847 -0.985 -8.121 548 HG12 ILE 75 1HG1 ILE 75 -0.312 -3.336 -8.661 549 HG13 ILE 75 2HG1 ILE 75 -0.563 -3.314 -6.919 550 HG21 ILE 75 1HG2 ILE 75 2.899 -2.743 -7.512 551 HG22 ILE 75 2HG2 ILE 75 1.763 -3.713 -8.448 552 HG23 ILE 75 3HG2 ILE 75 2.409 -2.218 -9.122 553 HD11 ILE 75 1HD1 ILE 75 -2.223 -1.859 -7.102 554 HD12 ILE 75 2HD1 ILE 75 -1.267 -0.788 -8.126 555 HD13 ILE 75 3HD1 ILE 75 -2.156 -2.132 -8.842 556 H LEU 76 H LEU 76 3.589 -2.180 -5.534 557 HA LEU 76 HA LEU 76 4.467 0.615 -5.833 558 HB2 LEU 76 1HB LEU 76 5.570 -1.311 -3.803 559 HB3 LEU 76 2HB LEU 76 5.902 0.414 -3.945 560 HG LEU 76 HG LEU 76 3.115 -0.493 -3.375 561 HD11 LEU 76 1HD1 LEU 76 5.306 -0.261 -1.318 562 HD12 LEU 76 2HD1 LEU 76 4.479 -1.744 -1.792 563 HD13 LEU 76 3HD1 LEU 76 3.587 -0.459 -0.979 564 HD21 LEU 76 1HD2 LEU 76 2.817 1.694 -3.167 565 HD22 LEU 76 2HD2 LEU 76 4.518 1.967 -3.542 566 HD23 LEU 76 3HD2 LEU 76 4.008 1.741 -1.868 567 H HIS 77 H HIS 77 5.448 0.443 -7.791 568 HA HIS 77 HA HIS 77 7.168 -1.780 -8.432 569 HB2 HIS 77 1HB HIS 77 7.200 0.703 -10.072 570 HB3 HIS 77 2HB HIS 77 7.170 -0.983 -10.583 571 HD1 HIS 77 1HD HIS 77 4.970 -1.870 -11.336 572 HD2 HIS 77 2HD HIS 77 4.580 1.634 -9.137 573 HE1 HIS 77 1HE HIS 77 2.537 -1.252 -11.481 574 HE2 HIS 77 2HE HIS 77 2.341 0.916 -10.214 575 H ALA 78 H ALA 78 9.330 -1.885 -8.270 576 HA ALA 78 HA ALA 78 11.506 -1.278 -7.921 577 HB1 ALA 78 1HB ALA 78 10.338 1.084 -8.984 578 HB2 ALA 78 2HB ALA 78 11.416 1.542 -7.666 579 HB3 ALA 78 3HB ALA 78 12.028 0.580 -9.011 580 H VAL 79 H VAL 79 10.250 -2.150 -5.787 581 HA VAL 79 HA VAL 79 10.136 -0.306 -3.610 582 HB VAL 79 HB VAL 79 9.976 -2.365 -2.193 583 HG11 VAL 79 1HG1 VAL 79 7.759 -2.670 -2.687 584 HG12 VAL 79 2HG1 VAL 79 8.073 -1.167 -3.558 585 HG13 VAL 79 3HG1 VAL 79 8.038 -2.701 -4.428 586 HG21 VAL 79 1HG2 VAL 79 11.359 -3.709 -3.900 587 HG22 VAL 79 2HG2 VAL 79 10.012 -4.514 -3.094 588 HG23 VAL 79 3HG2 VAL 79 9.827 -3.928 -4.747 589 H LYS 80 H LYS 80 11.640 0.213 -2.119 590 HA LYS 80 HA LYS 80 14.379 -0.574 -2.649 591 HB2 LYS 80 1HB LYS 80 13.122 1.418 -0.766 592 HB3 LYS 80 2HB LYS 80 14.844 1.063 -0.749 593 HG2 LYS 80 1HG LYS 80 14.744 2.930 -2.088 594 HG3 LYS 80 2HG LYS 80 14.729 1.625 -3.277 595 HD2 LYS 80 1HD LYS 80 13.001 2.924 -4.052 596 HD3 LYS 80 2HD LYS 80 12.124 1.825 -2.986 597 HE2 LYS 80 1HE LYS 80 12.101 3.471 -1.229 598 HE3 LYS 80 2HE LYS 80 13.131 4.548 -2.171 599 HZ1 LYS 80 1HZ LYS 80 11.401 5.290 -3.347 600 HZ2 LYS 80 2HZ LYS 80 10.441 4.647 -2.113 601 HZ3 LYS 80 3HZ LYS 80 10.714 3.754 -3.524 602 H HIS 81 H HIS 81 15.742 -1.634 -1.219 603 HA HIS 81 HA HIS 81 14.520 -3.591 0.446 604 HB2 HIS 81 1HB HIS 81 16.483 -4.384 -0.474 605 HB3 HIS 81 2HB HIS 81 17.323 -2.850 -0.270 606 HD1 HIS 81 1HD HIS 81 16.023 -5.684 1.909 607 HD2 HIS 81 2HD HIS 81 19.040 -2.828 1.824 608 HE1 HIS 81 1HE HIS 81 17.469 -6.173 3.908 609 HE2 HIS 81 2HE HIS 81 19.238 -4.380 3.884 610 H GLN 82 H GLN 82 16.396 -0.655 1.088 611 HA GLN 82 HA GLN 82 16.841 -0.737 3.747 612 HB2 GLN 82 1HB GLN 82 16.660 1.671 3.811 613 HB3 GLN 82 2HB GLN 82 17.368 1.188 2.275 614 HG2 GLN 82 1HG GLN 82 15.410 1.675 1.089 615 HG3 GLN 82 2HG GLN 82 14.435 1.732 2.557 616 HE21 GLN 82 1HE2 GLN 82 14.061 3.645 3.440 617 HE22 GLN 82 2HE2 GLN 82 14.886 5.113 3.052 618 H ASP 83 H ASP 83 13.726 -0.276 2.198 619 HA ASP 83 HA ASP 83 12.385 0.143 4.741 620 HB2 ASP 83 1HB ASP 83 11.377 0.001 1.896 621 HB3 ASP 83 2HB ASP 83 10.318 0.207 3.289 622 H SER 84 H SER 84 13.765 -2.371 4.305 623 HA SER 84 HA SER 84 12.142 -4.492 3.572 624 HB2 SER 84 1HB SER 84 14.510 -4.795 4.046 625 HB3 SER 84 2HB SER 84 14.251 -4.391 5.743 626 HG SER 84 HG SER 84 14.215 -6.561 5.718 627 H GLY 85 H GLY 85 11.108 -6.121 4.989 628 HA2 GLY 85 1HA GLY 85 9.230 -6.499 6.302 629 HA3 GLY 85 2HA GLY 85 10.349 -5.995 7.560 630 H ALA 86 H ALA 86 8.792 -4.120 4.975 631 HA ALA 86 HA ALA 86 8.195 -1.956 6.709 632 HB1 ALA 86 1HB ALA 86 8.083 -2.482 3.915 633 HB2 ALA 86 2HB ALA 86 6.530 -1.819 4.426 634 HB3 ALA 86 3HB ALA 86 8.018 -0.931 4.752 635 H LEU 87 H LEU 87 5.896 -1.065 6.841 636 HA LEU 87 HA LEU 87 4.041 -3.261 7.491 637 HB2 LEU 87 1HB LEU 87 5.128 -1.655 9.317 638 HB3 LEU 87 2HB LEU 87 3.772 -0.634 8.841 639 HG LEU 87 HG LEU 87 3.075 -1.834 10.753 640 HD11 LEU 87 1HD1 LEU 87 1.555 -1.765 8.684 641 HD12 LEU 87 2HD1 LEU 87 1.134 -2.867 9.994 642 HD13 LEU 87 3HD1 LEU 87 1.915 -3.486 8.539 643 HD21 LEU 87 1HD2 LEU 87 4.796 -3.555 10.752 644 HD22 LEU 87 2HD2 LEU 87 4.033 -4.338 9.368 645 HD23 LEU 87 3HD2 LEU 87 3.195 -4.275 10.919 646 H VAL 88 H VAL 88 2.858 -3.249 5.616 647 HA VAL 88 HA VAL 88 1.605 -0.718 4.808 648 HB VAL 88 HB VAL 88 1.654 -3.329 3.290 649 HG11 VAL 88 1HG1 VAL 88 1.305 -1.357 1.462 650 HG12 VAL 88 2HG1 VAL 88 -0.008 -2.278 2.198 651 HG13 VAL 88 3HG1 VAL 88 0.431 -0.696 2.843 652 HG21 VAL 88 1HG2 VAL 88 3.836 -2.849 3.027 653 HG22 VAL 88 2HG2 VAL 88 3.246 -1.647 1.879 654 HG23 VAL 88 3HG2 VAL 88 3.635 -1.171 3.532 655 H GLY 89 H GLY 89 -0.289 -0.379 5.782 656 HA2 GLY 89 1HA GLY 89 -2.222 -2.606 5.821 657 HA3 GLY 89 2HA GLY 89 -1.980 -1.610 7.249 658 H PHE 90 H PHE 90 -4.345 -2.090 5.460 659 HA PHE 90 HA PHE 90 -4.812 0.602 4.418 660 HB2 PHE 90 1HB PHE 90 -5.515 -0.923 2.812 661 HB3 PHE 90 2HB PHE 90 -6.121 -2.061 4.011 662 HD1 PHE 90 2HD PHE 90 -6.851 0.955 2.083 663 HD2 PHE 90 1HD PHE 90 -8.323 -1.805 4.970 664 HE1 PHE 90 2HE PHE 90 -9.127 1.829 1.754 665 HE2 PHE 90 1HE PHE 90 -10.602 -0.936 4.644 666 HZ PHE 90 HZ PHE 90 -11.006 0.885 3.035 667 H SER 91 H SER 91 -5.439 1.978 5.964 668 HA SER 91 HA SER 91 -7.211 1.081 8.097 669 HB2 SER 91 1HB SER 91 -6.809 3.335 9.055 670 HB3 SER 91 2HB SER 91 -5.309 2.462 8.740 671 HG SER 91 HG SER 91 -4.820 3.826 7.170 672 H CYS 92 H CYS 92 -9.329 1.481 8.172 673 HA CYS 92 HA CYS 92 -10.479 3.677 6.659 674 HB2 CYS 92 1HB CYS 92 -11.728 2.467 5.173 675 HB3 CYS 92 2HB CYS 92 -10.355 1.377 5.318 676 HG CYS 92 HG CYS 92 -13.227 1.023 7.142 677 HA PRO 93 HA PRO 93 -13.287 3.878 10.023 678 HB2 PRO 93 1HB PRO 93 -15.540 4.788 8.813 679 HB3 PRO 93 2HB PRO 93 -14.116 5.801 9.076 680 HG2 PRO 93 1HG PRO 93 -14.986 4.361 6.600 681 HG3 PRO 93 2HG PRO 93 -14.337 6.003 6.770 682 HD2 PRO 93 1HD PRO 93 -12.821 3.914 5.951 683 HD3 PRO 93 2HD PRO 93 -12.158 5.263 6.896 684 H GLY 94 H GLY 94 -13.251 1.466 10.178 685 HA2 GLY 94 1HA GLY 94 -15.463 0.228 10.834 686 HA3 GLY 94 2HA GLY 94 -15.641 0.165 9.087 687 H VAL 95 H VAL 95 -12.530 -0.011 9.114 688 HA VAL 95 HA VAL 95 -12.219 -2.768 10.028 689 HB VAL 95 HB VAL 95 -11.807 -1.890 7.171 690 HG11 VAL 95 1HG1 VAL 95 -10.839 -4.368 8.583 691 HG12 VAL 95 2HG1 VAL 95 -10.944 -4.220 6.827 692 HG13 VAL 95 3HG1 VAL 95 -9.872 -3.158 7.741 693 HG21 VAL 95 1HG2 VAL 95 -13.313 -4.301 8.116 694 HG22 VAL 95 2HG2 VAL 95 -14.079 -2.713 8.083 695 HG23 VAL 95 3HG2 VAL 95 -13.458 -3.423 6.593 696 H GLN 96 H GLN 96 -10.077 -3.393 10.390 697 HA GLN 96 HA GLN 96 -7.967 -1.444 9.885 698 HB2 GLN 96 1HB GLN 96 -8.522 -2.526 12.652 699 HB3 GLN 96 2HB GLN 96 -7.207 -1.450 12.199 700 HG2 GLN 96 1HG GLN 96 -8.820 0.289 11.628 701 HG3 GLN 96 2HG GLN 96 -10.141 -0.790 12.074 702 HE21 GLN 96 1HE2 GLN 96 -8.263 1.689 13.118 703 HE22 GLN 96 2HE2 GLN 96 -8.447 1.496 14.825 704 H ASP 97 H ASP 97 -6.628 -2.671 8.717 705 HA ASP 97 HA ASP 97 -5.610 -5.128 9.941 706 HB2 ASP 97 1HB ASP 97 -5.586 -6.056 7.493 707 HB3 ASP 97 2HB ASP 97 -7.057 -6.163 8.457 708 H SER 98 H SER 98 -3.593 -5.891 8.826 709 HA SER 98 HA SER 98 -2.137 -3.935 7.281 710 HB2 SER 98 1HB SER 98 -0.325 -3.629 8.885 711 HB3 SER 98 2HB SER 98 -1.849 -3.105 9.600 712 HG SER 98 HG SER 98 -1.744 -5.556 10.281 713 H ALA 99 H ALA 99 -0.309 -4.781 6.277 714 HA ALA 99 HA ALA 99 0.136 -7.667 6.682 715 HB1 ALA 99 1HB ALA 99 0.735 -6.687 4.000 716 HB2 ALA 99 2HB ALA 99 -0.166 -8.114 4.513 717 HB3 ALA 99 3HB ALA 99 -0.967 -6.544 4.440 718 H ALA 100 H ALA 100 2.243 -8.427 6.495 719 HA ALA 100 HA ALA 100 4.294 -6.437 6.982 720 HB1 ALA 100 1HB ALA 100 5.719 -8.312 7.552 721 HB2 ALA 100 2HB ALA 100 4.164 -8.463 8.369 722 HB3 ALA 100 3HB ALA 100 4.510 -9.445 6.946 723 H LEU 101 H LEU 101 5.770 -5.759 5.559 724 HA LEU 101 HA LEU 101 5.864 -7.096 2.939 725 HB2 LEU 101 1HB LEU 101 5.105 -4.881 2.660 726 HB3 LEU 101 2HB LEU 101 6.318 -4.245 3.769 727 HG LEU 101 HG LEU 101 8.068 -4.750 2.110 728 HD11 LEU 101 1HD1 LEU 101 7.559 -6.349 0.632 729 HD12 LEU 101 2HD1 LEU 101 6.780 -5.053 -0.276 730 HD13 LEU 101 3HD1 LEU 101 5.823 -6.080 0.791 731 HD21 LEU 101 1HD2 LEU 101 7.467 -2.989 0.517 732 HD22 LEU 101 2HD2 LEU 101 7.069 -2.533 2.173 733 HD23 LEU 101 3HD2 LEU 101 5.794 -3.060 1.073 734 H THR 102 H THR 102 7.496 -8.541 3.110 735 HA THR 102 HA THR 102 10.007 -7.782 4.365 736 HB THR 102 HB THR 102 9.174 -10.389 3.076 737 HG1 THR 102 1HG THR 102 9.322 -10.956 5.456 738 HG21 THR 102 1HG2 THR 102 11.230 -11.226 3.452 739 HG22 THR 102 2HG2 THR 102 11.404 -10.369 4.983 740 HG23 THR 102 3HG2 THR 102 11.737 -9.537 3.465 741 H ILE 103 H ILE 103 11.916 -7.443 3.324 742 HA ILE 103 HA ILE 103 12.016 -7.794 0.418 743 HB ILE 103 HB ILE 103 12.820 -5.224 1.787 744 HG12 ILE 103 1HG1 ILE 103 10.540 -5.704 -0.141 745 HG13 ILE 103 2HG1 ILE 103 10.345 -5.598 1.605 746 HG21 ILE 103 1HG2 ILE 103 14.260 -5.509 -0.036 747 HG22 ILE 103 2HG2 ILE 103 12.988 -6.190 -1.048 748 HG23 ILE 103 3HG2 ILE 103 12.974 -4.472 -0.652 749 HD11 ILE 103 1HD1 ILE 103 9.778 -3.485 0.783 750 HD12 ILE 103 2HD1 ILE 103 11.412 -3.301 1.423 751 HD13 ILE 103 3HD1 ILE 103 11.156 -3.447 -0.316 752 H GLN 104 H GLN 104 13.640 -9.200 0.215 753 HA GLN 104 HA GLN 104 15.955 -9.050 1.967 754 HB2 GLN 104 1HB GLN 104 15.301 -11.001 -0.248 755 HB3 GLN 104 2HB GLN 104 16.646 -11.141 0.876 756 HG2 GLN 104 1HG GLN 104 14.787 -11.056 2.691 757 HG3 GLN 104 2HG GLN 104 13.729 -11.519 1.359 758 HE21 GLN 104 1HE2 GLN 104 13.404 -13.607 1.210 759 HE22 GLN 104 2HE2 GLN 104 14.518 -14.853 1.650 760 H GLU 105 H GLU 105 18.108 -8.871 1.207 761 HA GLU 105 HA GLU 105 18.465 -6.916 -0.811 762 HB2 GLU 105 1HB GLU 105 20.363 -8.619 0.784 763 HB3 GLU 105 2HB GLU 105 20.944 -7.539 -0.477 764 HG2 GLU 105 1HG GLU 105 20.270 -5.632 0.675 765 HG3 GLU 105 2HG GLU 105 19.183 -6.538 1.726 766 H SER 106 H SER 106 19.907 -7.156 -2.695 767 HA SER 106 HA SER 106 19.566 -9.794 -3.967 768 HB2 SER 106 1HB SER 106 18.174 -7.895 -4.913 769 HB3 SER 106 2HB SER 106 19.687 -7.150 -5.427 770 HG SER 106 HG SER 106 19.173 -8.331 -7.147 771 H SER 107 H SER 107 21.492 -6.817 -4.385 772 HA SER 107 HA SER 107 23.670 -8.147 -5.608 773 HB2 SER 107 1HB SER 107 24.858 -6.038 -5.380 774 HB3 SER 107 2HB SER 107 23.193 -5.718 -5.867 775 HG SER 107 HG SER 107 23.814 -5.756 -3.137 776 H GLY 108 H GLY 108 25.180 -9.386 -4.723 777 HA2 GLY 108 1HA GLY 108 26.983 -9.534 -3.072 778 HA3 GLY 108 2HA GLY 108 25.830 -8.972 -1.871 779 HA PRO 109 HA PRO 109 26.111 -13.634 -1.744 780 HB2 PRO 109 1HB PRO 109 26.672 -13.793 0.907 781 HB3 PRO 109 2HB PRO 109 27.922 -13.622 -0.330 782 HG2 PRO 109 1HG PRO 109 26.700 -11.531 1.430 783 HG3 PRO 109 2HG PRO 109 28.401 -11.768 0.990 784 HD2 PRO 109 1HD PRO 109 26.834 -9.907 -0.199 785 HD3 PRO 109 2HD PRO 109 28.145 -10.742 -1.058 786 H SER 110 H SER 110 23.818 -13.486 -2.134 787 HA SER 110 HA SER 110 22.122 -13.073 0.211 788 HB2 SER 110 1HB SER 110 20.263 -13.023 -1.327 789 HB3 SER 110 2HB SER 110 21.544 -12.005 -1.984 790 HG SER 110 HG SER 110 20.385 -13.735 -3.348 791 H SER 111 H SER 111 22.880 -15.549 -2.206 792 HA SER 111 HA SER 111 21.224 -17.511 -0.864 793 HB2 SER 111 1HB SER 111 23.014 -17.657 -3.294 794 HB3 SER 111 2HB SER 111 22.142 -19.049 -2.653 795 HG SER 111 HG SER 111 21.213 -17.389 -4.364 796 H GLY 112 H GLY 112 21.911 -19.169 0.402 797 HA2 GLY 112 1HA GLY 112 24.157 -20.530 0.680 798 HA3 GLY 112 2HA GLY 112 24.665 -18.994 1.366 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -14.668 9.913 10.532 2 HA2 GLY 1 1HA GLY 1 -13.304 11.692 9.986 3 HA3 GLY 1 2HA GLY 1 -13.408 11.194 8.304 4 H SER 2 H SER 2 -15.978 11.430 7.641 5 HA SER 2 HA SER 2 -16.403 14.310 7.832 6 HB2 SER 2 1HB SER 2 -17.735 12.244 6.062 7 HB3 SER 2 2HB SER 2 -17.975 13.989 5.962 8 HG SER 2 HG SER 2 -15.667 12.481 5.363 9 H SER 3 H SER 3 -18.523 15.190 8.225 10 HA SER 3 HA SER 3 -20.016 13.580 10.174 11 HB2 SER 3 1HB SER 3 -19.035 15.888 10.754 12 HB3 SER 3 2HB SER 3 -20.327 16.549 9.752 13 HG SER 3 HG SER 3 -21.731 15.159 11.160 14 H GLY 4 H GLY 4 -21.355 12.394 8.830 15 HA2 GLY 4 1HA GLY 4 -23.841 13.312 8.203 16 HA3 GLY 4 2HA GLY 4 -22.903 13.654 6.757 17 H SER 5 H SER 5 -21.660 11.764 5.863 18 HA SER 5 HA SER 5 -23.407 9.680 5.234 19 HB2 SER 5 1HB SER 5 -20.467 10.121 4.874 20 HB3 SER 5 2HB SER 5 -21.144 8.531 4.521 21 HG SER 5 HG SER 5 -22.512 10.700 3.469 22 H SER 6 H SER 6 -20.698 9.771 7.524 23 HA SER 6 HA SER 6 -19.986 8.244 9.083 24 HB2 SER 6 1HB SER 6 -22.924 8.616 9.504 25 HB3 SER 6 2HB SER 6 -22.070 7.427 10.487 26 HG SER 6 HG SER 6 -21.794 10.212 10.409 27 H GLY 7 H GLY 7 -20.240 7.061 6.542 28 HA2 GLY 7 1HA GLY 7 -21.614 4.528 6.871 29 HA3 GLY 7 2HA GLY 7 -20.695 5.045 5.465 30 H THR 8 H THR 8 -20.628 2.480 6.826 31 HA THR 8 HA THR 8 -17.751 2.293 7.144 32 HB THR 8 HB THR 8 -17.849 1.096 9.279 33 HG1 THR 8 1HG THR 8 -19.711 0.495 10.080 34 HG21 THR 8 1HG2 THR 8 -17.553 3.604 9.162 35 HG22 THR 8 2HG2 THR 8 -18.130 2.976 10.707 36 HG23 THR 8 3HG2 THR 8 -19.258 3.741 9.589 37 H ALA 9 H ALA 9 -17.066 -0.030 7.403 38 HA ALA 9 HA ALA 9 -19.004 -1.981 6.436 39 HB1 ALA 9 1HB ALA 9 -16.422 -1.861 4.955 40 HB2 ALA 9 2HB ALA 9 -17.990 -2.487 4.443 41 HB3 ALA 9 3HB ALA 9 -17.716 -0.746 4.511 42 H ARG 10 H ARG 10 -17.809 -4.190 6.172 43 HA ARG 10 HA ARG 10 -16.019 -4.495 8.492 44 HB2 ARG 10 1HB ARG 10 -18.249 -6.193 7.438 45 HB3 ARG 10 2HB ARG 10 -16.935 -6.948 8.330 46 HG2 ARG 10 1HG ARG 10 -18.248 -4.574 9.533 47 HG3 ARG 10 2HG ARG 10 -19.130 -6.103 9.523 48 HD2 ARG 10 1HD ARG 10 -16.297 -6.131 10.416 49 HD3 ARG 10 2HD ARG 10 -17.497 -5.432 11.501 50 HE ARG 10 HE ARG 10 -18.143 -8.051 10.448 51 HH11 ARG 10 2HH1 ARG 10 -16.722 -6.212 13.041 52 HH12 ARG 10 1HH1 ARG 10 -16.882 -7.485 14.206 53 HH21 ARG 10 2HH2 ARG 10 -18.359 -9.734 11.973 54 HH22 ARG 10 1HH2 ARG 10 -17.813 -9.488 13.597 55 H LEU 11 H LEU 11 -14.278 -5.938 8.345 56 HA LEU 11 HA LEU 11 -13.115 -6.127 5.731 57 HB2 LEU 11 1HB LEU 11 -11.828 -5.665 7.808 58 HB3 LEU 11 2HB LEU 11 -12.145 -7.320 8.324 59 HG LEU 11 HG LEU 11 -10.901 -8.117 6.319 60 HD11 LEU 11 1HD1 LEU 11 -11.216 -5.555 5.405 61 HD12 LEU 11 2HD1 LEU 11 -10.104 -6.753 4.742 62 HD13 LEU 11 3HD1 LEU 11 -9.530 -5.574 5.922 63 HD21 LEU 11 1HD2 LEU 11 -9.754 -8.090 8.406 64 HD22 LEU 11 2HD2 LEU 11 -9.485 -6.349 8.305 65 HD23 LEU 11 3HD2 LEU 11 -8.652 -7.437 7.193 66 H VAL 12 H VAL 12 -13.495 -7.691 4.322 67 HA VAL 12 HA VAL 12 -14.563 -10.248 5.264 68 HB VAL 12 HB VAL 12 -14.451 -9.021 2.510 69 HG11 VAL 12 1HG1 VAL 12 -14.302 -11.197 1.874 70 HG12 VAL 12 2HG1 VAL 12 -14.991 -11.801 3.382 71 HG13 VAL 12 3HG1 VAL 12 -16.044 -11.123 2.139 72 HG21 VAL 12 1HG2 VAL 12 -16.223 -8.598 4.553 73 HG22 VAL 12 2HG2 VAL 12 -16.565 -8.353 2.840 74 HG23 VAL 12 3HG2 VAL 12 -17.017 -9.868 3.622 75 H ALA 13 H ALA 13 -11.940 -8.916 3.299 76 HA ALA 13 HA ALA 13 -10.471 -11.430 3.691 77 HB1 ALA 13 1HB ALA 13 -11.518 -11.220 1.375 78 HB2 ALA 13 2HB ALA 13 -10.339 -9.940 1.088 79 HB3 ALA 13 3HB ALA 13 -9.793 -11.577 1.453 80 H GLY 14 H GLY 14 -9.377 -10.275 5.380 81 HA2 GLY 14 1HA GLY 14 -8.105 -7.851 5.255 82 HA3 GLY 14 2HA GLY 14 -7.483 -9.224 6.158 83 H LEU 15 H LEU 15 -5.599 -7.631 5.307 84 HA LEU 15 HA LEU 15 -4.690 -8.084 2.653 85 HB2 LEU 15 1HB LEU 15 -3.280 -7.099 5.124 86 HB3 LEU 15 2HB LEU 15 -2.529 -7.163 3.531 87 HG LEU 15 HG LEU 15 -5.066 -5.628 3.913 88 HD11 LEU 15 1HD1 LEU 15 -3.626 -4.857 5.710 89 HD12 LEU 15 2HD1 LEU 15 -3.749 -3.632 4.448 90 HD13 LEU 15 3HD1 LEU 15 -2.299 -4.627 4.572 91 HD21 LEU 15 1HD2 LEU 15 -4.213 -5.991 1.656 92 HD22 LEU 15 2HD2 LEU 15 -2.664 -5.286 2.119 93 HD23 LEU 15 3HD2 LEU 15 -4.118 -4.287 2.103 94 H GLU 16 H GLU 16 -2.181 -8.851 2.588 95 HA GLU 16 HA GLU 16 -1.915 -11.365 4.063 96 HB2 GLU 16 1HB GLU 16 -1.691 -11.149 1.055 97 HB3 GLU 16 2HB GLU 16 -1.329 -12.583 2.005 98 HG2 GLU 16 1HG GLU 16 -3.628 -12.781 2.678 99 HG3 GLU 16 2HG GLU 16 -4.028 -11.260 1.884 100 H ASP 17 H ASP 17 0.294 -12.374 3.592 101 HA ASP 17 HA ASP 17 2.279 -10.258 3.854 102 HB2 ASP 17 1HB ASP 17 3.794 -12.091 4.555 103 HB3 ASP 17 2HB ASP 17 2.323 -12.023 5.522 104 H VAL 18 H VAL 18 4.042 -9.991 2.525 105 HA VAL 18 HA VAL 18 4.393 -11.763 0.240 106 HB VAL 18 HB VAL 18 3.899 -8.804 -0.122 107 HG11 VAL 18 1HG1 VAL 18 4.414 -10.937 -2.192 108 HG12 VAL 18 2HG1 VAL 18 4.155 -9.216 -2.487 109 HG13 VAL 18 3HG1 VAL 18 5.604 -9.758 -1.638 110 HG21 VAL 18 1HG2 VAL 18 1.804 -9.857 0.257 111 HG22 VAL 18 2HG2 VAL 18 1.947 -9.627 -1.486 112 HG23 VAL 18 3HG2 VAL 18 2.225 -11.219 -0.781 113 H GLN 19 H GLN 19 6.431 -11.599 -0.748 114 HA GLN 19 HA GLN 19 8.347 -9.706 0.373 115 HB2 GLN 19 1HB GLN 19 9.844 -11.286 1.202 116 HB3 GLN 19 2HB GLN 19 8.284 -11.922 1.705 117 HG2 GLN 19 1HG GLN 19 8.375 -13.305 -0.451 118 HG3 GLN 19 2HG GLN 19 10.087 -12.887 -0.479 119 HE21 GLN 19 1HE2 GLN 19 11.334 -14.379 0.364 120 HE22 GLN 19 2HE2 GLN 19 10.926 -15.445 1.660 121 H VAL 20 H VAL 20 9.581 -8.896 -1.186 122 HA VAL 20 HA VAL 20 10.106 -10.533 -3.575 123 HB VAL 20 HB VAL 20 9.905 -8.490 -4.971 124 HG11 VAL 20 1HG1 VAL 20 7.942 -10.181 -4.134 125 HG12 VAL 20 2HG1 VAL 20 7.239 -8.606 -3.762 126 HG13 VAL 20 3HG1 VAL 20 7.759 -8.975 -5.407 127 HG21 VAL 20 1HG2 VAL 20 8.850 -7.294 -2.414 128 HG22 VAL 20 2HG2 VAL 20 10.255 -6.769 -3.343 129 HG23 VAL 20 3HG2 VAL 20 8.633 -6.569 -4.007 130 H TYR 21 H TYR 21 11.925 -9.619 -4.903 131 HA TYR 21 HA TYR 21 14.130 -8.994 -3.128 132 HB2 TYR 21 1HB TYR 21 13.948 -9.739 -6.041 133 HB3 TYR 21 2HB TYR 21 15.460 -9.211 -5.311 134 HD1 TYR 21 1HD TYR 21 12.703 -11.630 -4.557 135 HD2 TYR 21 2HD TYR 21 16.890 -10.876 -4.621 136 HE1 TYR 21 1HE TYR 21 13.123 -13.927 -3.784 137 HE2 TYR 21 2HE TYR 21 17.321 -13.171 -3.849 138 HH TYR 21 HH TYR 21 14.864 -15.195 -2.641 139 H ASP 22 H ASP 22 15.765 -7.357 -3.855 140 HA ASP 22 HA ASP 22 14.706 -4.803 -3.864 141 HB2 ASP 22 1HB ASP 22 16.879 -4.030 -4.012 142 HB3 ASP 22 2HB ASP 22 17.150 -5.681 -3.460 143 H GLY 23 H GLY 23 14.187 -3.302 -5.400 144 HA2 GLY 23 1HA GLY 23 13.880 -2.397 -7.517 145 HA3 GLY 23 2HA GLY 23 14.721 -3.781 -8.199 146 H GLU 24 H GLU 24 12.954 -5.685 -6.786 147 HA GLU 24 HA GLU 24 11.078 -6.121 -8.802 148 HB2 GLU 24 1HB GLU 24 10.967 -7.088 -5.939 149 HB3 GLU 24 2HB GLU 24 10.077 -7.771 -7.292 150 HG2 GLU 24 1HG GLU 24 13.071 -7.728 -6.995 151 HG3 GLU 24 2HG GLU 24 12.021 -9.118 -6.726 152 H ASP 25 H ASP 25 8.629 -6.476 -8.063 153 HA ASP 25 HA ASP 25 7.721 -3.925 -6.899 154 HB2 ASP 25 1HB ASP 25 6.229 -5.469 -9.019 155 HB3 ASP 25 2HB ASP 25 5.932 -3.823 -8.468 156 H ALA 26 H ALA 26 6.193 -4.006 -5.345 157 HA ALA 26 HA ALA 26 5.358 -6.664 -4.446 158 HB1 ALA 26 1HB ALA 26 5.135 -5.802 -2.314 159 HB2 ALA 26 2HB ALA 26 6.484 -4.862 -2.954 160 HB3 ALA 26 3HB ALA 26 4.868 -4.157 -2.893 161 H VAL 27 H VAL 27 3.177 -7.095 -3.857 162 HA VAL 27 HA VAL 27 1.173 -5.250 -4.959 163 HB VAL 27 HB VAL 27 1.158 -8.233 -5.435 164 HG11 VAL 27 1HG1 VAL 27 -0.952 -8.042 -6.136 165 HG12 VAL 27 2HG1 VAL 27 -0.964 -6.469 -5.336 166 HG13 VAL 27 3HG1 VAL 27 -0.596 -6.582 -7.058 167 HG21 VAL 27 1HG2 VAL 27 2.885 -7.126 -6.760 168 HG22 VAL 27 2HG2 VAL 27 1.561 -7.683 -7.784 169 HG23 VAL 27 3HG2 VAL 27 1.693 -5.975 -7.365 170 H PHE 28 H PHE 28 -0.654 -5.056 -3.777 171 HA PHE 28 HA PHE 28 -1.261 -7.033 -1.718 172 HB2 PHE 28 1HB PHE 28 -0.832 -4.096 -1.131 173 HB3 PHE 28 2HB PHE 28 -1.525 -5.253 0.001 174 HD1 PHE 28 1HD PHE 28 -0.122 -7.129 0.847 175 HD2 PHE 28 2HD PHE 28 1.497 -3.920 -1.433 176 HE1 PHE 28 1HE PHE 28 2.135 -7.712 1.636 177 HE2 PHE 28 2HE PHE 28 3.756 -4.498 -0.648 178 HZ PHE 28 HZ PHE 28 4.078 -6.396 0.888 179 H SER 29 H SER 29 -3.406 -7.258 -1.320 180 HA SER 29 HA SER 29 -5.291 -5.216 -2.146 181 HB2 SER 29 1HB SER 29 -6.554 -6.704 -3.635 182 HB3 SER 29 2HB SER 29 -4.911 -6.472 -4.232 183 HG SER 29 HG SER 29 -4.392 -8.497 -3.227 184 H LEU 30 H LEU 30 -7.510 -5.734 -1.501 185 HA LEU 30 HA LEU 30 -7.832 -7.925 0.385 186 HB2 LEU 30 1HB LEU 30 -8.592 -6.505 2.187 187 HB3 LEU 30 2HB LEU 30 -6.939 -6.094 1.738 188 HG LEU 30 HG LEU 30 -8.211 -4.266 0.277 189 HD11 LEU 30 1HD1 LEU 30 -9.967 -3.639 2.361 190 HD12 LEU 30 2HD1 LEU 30 -10.254 -5.339 1.988 191 HD13 LEU 30 3HD1 LEU 30 -10.380 -4.124 0.716 192 HD21 LEU 30 1HD2 LEU 30 -6.837 -4.346 2.763 193 HD22 LEU 30 2HD2 LEU 30 -8.159 -3.186 2.897 194 HD23 LEU 30 3HD2 LEU 30 -6.961 -3.015 1.613 195 H ASP 31 H ASP 31 -10.163 -7.796 1.334 196 HA ASP 31 HA ASP 31 -12.016 -6.815 -0.729 197 HB2 ASP 31 1HB ASP 31 -12.261 -9.496 0.647 198 HB3 ASP 31 2HB ASP 31 -13.294 -8.863 -0.631 199 H LEU 32 H LEU 32 -13.942 -6.006 -0.006 200 HA LEU 32 HA LEU 32 -14.337 -5.976 2.915 201 HB2 LEU 32 1HB LEU 32 -15.059 -3.784 0.978 202 HB3 LEU 32 2HB LEU 32 -15.226 -3.740 2.732 203 HG LEU 32 HG LEU 32 -12.611 -3.848 1.229 204 HD11 LEU 32 1HD1 LEU 32 -12.991 -1.673 0.902 205 HD12 LEU 32 2HD1 LEU 32 -12.701 -1.495 2.632 206 HD13 LEU 32 3HD1 LEU 32 -14.350 -1.648 2.026 207 HD21 LEU 32 1HD2 LEU 32 -11.691 -4.422 3.162 208 HD22 LEU 32 2HD2 LEU 32 -13.277 -4.447 3.933 209 HD23 LEU 32 3HD2 LEU 32 -12.337 -2.954 3.897 210 H SER 33 H SER 33 -16.518 -5.873 3.663 211 HA SER 33 HA SER 33 -18.285 -7.555 2.229 212 HB2 SER 33 1HB SER 33 -18.178 -7.300 4.741 213 HB3 SER 33 2HB SER 33 -19.014 -5.759 4.549 214 HG SER 33 HG SER 33 -20.128 -8.002 3.322 215 H THR 34 H THR 34 -17.901 -4.107 2.419 216 HA THR 34 HA THR 34 -19.903 -3.781 0.326 217 HB THR 34 HB THR 34 -21.045 -3.404 2.554 218 HG1 THR 34 1HG THR 34 -22.234 -1.814 1.648 219 HG21 THR 34 1HG2 THR 34 -19.953 -2.166 4.058 220 HG22 THR 34 2HG2 THR 34 -20.328 -0.762 3.059 221 HG23 THR 34 3HG2 THR 34 -18.795 -1.607 2.852 222 H ILE 35 H ILE 35 -19.896 -1.447 -0.476 223 HA ILE 35 HA ILE 35 -17.216 -0.744 -1.134 224 HB ILE 35 HB ILE 35 -19.782 0.767 -1.637 225 HG12 ILE 35 1HG1 ILE 35 -19.057 -0.183 -4.041 226 HG13 ILE 35 2HG1 ILE 35 -18.368 -1.446 -3.027 227 HG21 ILE 35 1HG2 ILE 35 -16.987 1.410 -2.155 228 HG22 ILE 35 2HG2 ILE 35 -17.998 1.477 -3.598 229 HG23 ILE 35 3HG2 ILE 35 -18.414 2.447 -2.185 230 HD11 ILE 35 1HD1 ILE 35 -20.945 -1.027 -2.045 231 HD12 ILE 35 2HD1 ILE 35 -21.091 -1.013 -3.803 232 HD13 ILE 35 3HD1 ILE 35 -20.361 -2.396 -2.990 233 H ILE 36 H ILE 36 -15.983 0.987 -0.495 234 HA ILE 36 HA ILE 36 -16.891 3.128 1.097 235 HB ILE 36 HB ILE 36 -17.052 1.252 2.771 236 HG12 ILE 36 1HG1 ILE 36 -15.023 3.376 3.485 237 HG13 ILE 36 2HG1 ILE 36 -16.751 3.685 3.344 238 HG21 ILE 36 1HG2 ILE 36 -14.081 1.346 3.008 239 HG22 ILE 36 2HG2 ILE 36 -15.213 0.101 3.532 240 HG23 ILE 36 3HG2 ILE 36 -14.821 0.272 1.821 241 HD11 ILE 36 1HD1 ILE 36 -15.231 2.405 5.489 242 HD12 ILE 36 2HD1 ILE 36 -16.767 3.271 5.538 243 HD13 ILE 36 3HD1 ILE 36 -16.725 1.577 5.050 244 H GLN 37 H GLN 37 -15.081 4.461 1.933 245 HA GLN 37 HA GLN 37 -12.799 4.253 0.116 246 HB2 GLN 37 1HB GLN 37 -12.503 6.550 0.353 247 HB3 GLN 37 2HB GLN 37 -14.251 6.373 0.428 248 HG2 GLN 37 1HG GLN 37 -12.645 6.381 2.943 249 HG3 GLN 37 2HG GLN 37 -13.027 7.897 2.128 250 HE21 GLN 37 1HE2 GLN 37 -14.567 8.823 3.287 251 HE22 GLN 37 2HE2 GLN 37 -16.030 8.068 3.808 252 H GLY 38 H GLY 38 -10.701 4.092 0.791 253 HA2 GLY 38 1HA GLY 38 -10.211 4.008 3.693 254 HA3 GLY 38 2HA GLY 38 -9.710 2.657 2.686 255 H THR 39 H THR 39 -7.680 3.500 3.941 256 HA THR 39 HA THR 39 -6.190 5.151 2.029 257 HB THR 39 HB THR 39 -6.026 5.518 5.026 258 HG1 THR 39 1HG THR 39 -7.760 6.521 3.313 259 HG21 THR 39 1HG2 THR 39 -4.611 6.879 2.734 260 HG22 THR 39 2HG2 THR 39 -3.883 5.915 4.018 261 HG23 THR 39 3HG2 THR 39 -4.609 7.478 4.392 262 H TRP 40 H TRP 40 -3.901 4.813 2.058 263 HA TRP 40 HA TRP 40 -3.172 2.175 3.136 264 HB2 TRP 40 1HB TRP 40 -2.170 3.725 0.750 265 HB3 TRP 40 2HB TRP 40 -1.307 2.331 1.395 266 HD1 TRP 40 HD TRP 40 -4.054 3.238 -0.940 267 HE1 TRP 40 1HE TRP 40 -5.233 1.115 -1.793 268 HE3 TRP 40 3HE TRP 40 -2.065 -0.161 2.320 269 HZ2 TRP 40 2HZ TRP 40 -5.310 -1.636 -1.167 270 HZ3 TRP 40 3HZ TRP 40 -2.743 -2.518 2.126 271 HH2 TRP 40 HH TRP 40 -4.333 -3.238 0.418 272 H PHE 41 H PHE 41 -1.266 1.888 4.268 273 HA PHE 41 HA PHE 41 0.119 4.358 5.081 274 HB2 PHE 41 1HB PHE 41 -0.842 2.029 6.698 275 HB3 PHE 41 2HB PHE 41 0.581 2.918 7.230 276 HD1 PHE 41 2HD PHE 41 -2.670 3.970 5.731 277 HD2 PHE 41 1HD PHE 41 0.045 4.277 8.995 278 HE1 PHE 41 2HE PHE 41 -4.122 5.660 6.775 279 HE2 PHE 41 1HE PHE 41 -1.403 5.967 10.044 280 HZ PHE 41 HZ PHE 41 -3.489 6.662 8.934 281 H LEU 42 H LEU 42 2.349 3.955 5.933 282 HA LEU 42 HA LEU 42 3.658 1.586 4.849 283 HB2 LEU 42 1HB LEU 42 3.576 3.665 3.223 284 HB3 LEU 42 2HB LEU 42 4.917 4.211 4.228 285 HG LEU 42 HG LEU 42 6.135 2.132 3.660 286 HD11 LEU 42 1HD1 LEU 42 5.075 0.409 2.762 287 HD12 LEU 42 2HD1 LEU 42 4.722 1.371 1.327 288 HD13 LEU 42 3HD1 LEU 42 3.587 1.352 2.676 289 HD21 LEU 42 1HD2 LEU 42 5.229 3.736 1.272 290 HD22 LEU 42 2HD2 LEU 42 6.707 2.781 1.391 291 HD23 LEU 42 3HD2 LEU 42 6.496 4.210 2.404 292 H ASN 43 H ASN 43 4.676 0.813 6.576 293 HA ASN 43 HA ASN 43 6.033 0.655 8.394 294 HB2 ASN 43 1HB ASN 43 7.081 3.235 7.226 295 HB3 ASN 43 2HB ASN 43 7.794 2.471 8.645 296 HD21 ASN 43 1HD2 ASN 43 7.947 2.726 5.359 297 HD22 ASN 43 2HD2 ASN 43 8.844 1.292 5.007 298 H GLY 44 H GLY 44 3.477 1.573 8.877 299 HA2 GLY 44 1HA GLY 44 2.406 2.285 10.823 300 HA3 GLY 44 2HA GLY 44 3.909 3.029 11.349 301 H GLU 45 H GLU 45 4.210 4.455 8.768 302 HA GLU 45 HA GLU 45 2.627 6.762 9.482 303 HB2 GLU 45 1HB GLU 45 4.758 6.263 7.413 304 HB3 GLU 45 2HB GLU 45 3.867 7.776 7.486 305 HG2 GLU 45 1HG GLU 45 5.906 8.100 8.642 306 HG3 GLU 45 2HG GLU 45 4.627 8.017 9.852 307 H GLU 46 H GLU 46 1.774 8.063 7.464 308 HA GLU 46 HA GLU 46 0.010 6.223 5.993 309 HB2 GLU 46 1HB GLU 46 -1.110 7.814 7.532 310 HB3 GLU 46 2HB GLU 46 -0.420 9.149 6.619 311 HG2 GLU 46 1HG GLU 46 -1.671 8.523 4.662 312 HG3 GLU 46 2HG GLU 46 -2.278 7.080 5.472 313 H LEU 47 H LEU 47 -0.580 6.816 3.800 314 HA LEU 47 HA LEU 47 1.606 8.235 2.429 315 HB2 LEU 47 1HB LEU 47 -0.134 5.948 1.537 316 HB3 LEU 47 2HB LEU 47 0.892 6.863 0.434 317 HG LEU 47 HG LEU 47 1.929 5.337 2.819 318 HD11 LEU 47 1HD1 LEU 47 1.138 4.434 0.155 319 HD12 LEU 47 2HD1 LEU 47 1.447 3.510 1.624 320 HD13 LEU 47 3HD1 LEU 47 2.791 4.006 0.596 321 HD21 LEU 47 1HD2 LEU 47 4.085 5.635 1.786 322 HD22 LEU 47 2HD2 LEU 47 3.320 7.210 1.992 323 HD23 LEU 47 3HD2 LEU 47 3.352 6.446 0.402 324 H LYS 48 H LYS 48 0.886 9.078 0.206 325 HA LYS 48 HA LYS 48 -1.769 10.333 0.461 326 HB2 LYS 48 1HB LYS 48 0.819 11.527 -0.535 327 HB3 LYS 48 2HB LYS 48 -0.751 12.277 -0.796 328 HG2 LYS 48 1HG LYS 48 0.283 11.596 1.941 329 HG3 LYS 48 2HG LYS 48 0.605 13.141 1.150 330 HD2 LYS 48 1HD LYS 48 -1.822 13.512 0.940 331 HD3 LYS 48 2HD LYS 48 -2.112 11.993 1.793 332 HE2 LYS 48 1HE LYS 48 -1.054 12.846 3.776 333 HE3 LYS 48 2HE LYS 48 -0.558 14.312 2.932 334 HZ1 LYS 48 1HZ LYS 48 -3.026 14.688 2.568 335 HZ2 LYS 48 2HZ LYS 48 -2.445 14.914 4.140 336 HZ3 LYS 48 3HZ LYS 48 -3.282 13.499 3.744 337 H SER 49 H SER 49 -2.698 11.056 -1.626 338 HA SER 49 HA SER 49 -1.834 9.359 -3.872 339 HB2 SER 49 1HB SER 49 -4.698 9.894 -3.044 340 HB3 SER 49 2HB SER 49 -4.184 8.940 -4.436 341 HG SER 49 HG SER 49 -2.965 7.708 -2.691 342 H ASN 50 H ASN 50 -1.014 11.975 -3.604 343 HA ASN 50 HA ASN 50 -2.408 13.223 -5.859 344 HB2 ASN 50 1HB ASN 50 -3.259 14.296 -3.809 345 HB3 ASN 50 2HB ASN 50 -1.610 14.694 -3.337 346 HD21 ASN 50 1HD2 ASN 50 -4.152 15.312 -5.657 347 HD22 ASN 50 2HD2 ASN 50 -3.545 16.835 -6.203 348 H GLU 51 H GLU 51 -1.082 15.107 -6.734 349 HA GLU 51 HA GLU 51 1.452 14.182 -7.486 350 HB2 GLU 51 1HB GLU 51 1.725 16.254 -8.633 351 HB3 GLU 51 2HB GLU 51 0.023 15.828 -8.742 352 HG2 GLU 51 1HG GLU 51 -0.437 17.367 -6.859 353 HG3 GLU 51 2HG GLU 51 1.258 17.852 -6.890 354 HA PRO 52 HA PRO 52 4.129 15.395 -4.221 355 HB2 PRO 52 1HB PRO 52 6.422 15.831 -5.607 356 HB3 PRO 52 2HB PRO 52 5.772 14.215 -5.311 357 HG2 PRO 52 1HG PRO 52 5.558 15.923 -7.760 358 HG3 PRO 52 2HG PRO 52 5.888 14.185 -7.633 359 HD2 PRO 52 1HD PRO 52 3.440 15.161 -8.255 360 HD3 PRO 52 2HD PRO 52 3.664 13.656 -7.341 361 H GLU 53 H GLU 53 3.615 17.320 -3.317 362 HA GLU 53 HA GLU 53 4.422 19.764 -4.750 363 HB2 GLU 53 1HB GLU 53 1.953 19.403 -4.158 364 HB3 GLU 53 2HB GLU 53 2.437 19.661 -2.488 365 HG2 GLU 53 1HG GLU 53 3.167 21.881 -2.967 366 HG3 GLU 53 2HG GLU 53 2.944 21.635 -4.698 367 H GLY 54 H GLY 54 6.307 18.256 -3.316 368 HA2 GLY 54 1HA GLY 54 7.978 19.742 -2.062 369 HA3 GLY 54 2HA GLY 54 6.702 19.831 -0.856 370 H GLN 55 H GLN 55 6.380 18.140 0.538 371 HA GLN 55 HA GLN 55 8.386 16.604 1.436 372 HB2 GLN 55 1HB GLN 55 6.024 16.798 2.363 373 HB3 GLN 55 2HB GLN 55 5.590 15.488 1.272 374 HG2 GLN 55 1HG GLN 55 7.450 14.158 2.370 375 HG3 GLN 55 2HG GLN 55 7.480 15.420 3.599 376 HE21 GLN 55 1HE2 GLN 55 6.211 12.488 2.792 377 HE22 GLN 55 2HE2 GLN 55 4.837 12.473 3.839 378 H VAL 56 H VAL 56 5.956 15.323 -0.845 379 HA VAL 56 HA VAL 56 7.563 13.012 -1.425 380 HB VAL 56 HB VAL 56 5.097 14.011 -2.857 381 HG11 VAL 56 1HG1 VAL 56 6.856 12.103 -3.694 382 HG12 VAL 56 2HG1 VAL 56 5.678 11.142 -2.798 383 HG13 VAL 56 3HG1 VAL 56 5.149 12.168 -4.132 384 HG21 VAL 56 1HG2 VAL 56 4.576 13.653 -0.537 385 HG22 VAL 56 2HG2 VAL 56 3.912 12.317 -1.478 386 HG23 VAL 56 3HG2 VAL 56 5.395 12.091 -0.551 387 H GLU 57 H GLU 57 8.926 12.679 -3.086 388 HA GLU 57 HA GLU 57 9.578 14.959 -4.772 389 HB2 GLU 57 1HB GLU 57 10.967 12.286 -4.755 390 HB3 GLU 57 2HB GLU 57 11.604 13.835 -5.287 391 HG2 GLU 57 1HG GLU 57 11.768 14.634 -3.064 392 HG3 GLU 57 2HG GLU 57 10.841 13.272 -2.438 393 HA PRO 58 HA PRO 58 7.605 13.520 -8.419 394 HB2 PRO 58 1HB PRO 58 9.312 14.427 -10.325 395 HB3 PRO 58 2HB PRO 58 8.251 15.495 -9.399 396 HG2 PRO 58 1HG PRO 58 11.156 14.898 -8.995 397 HG3 PRO 58 2HG PRO 58 10.313 16.456 -8.917 398 HD2 PRO 58 1HD PRO 58 10.995 15.056 -6.702 399 HD3 PRO 58 2HD PRO 58 9.543 16.075 -6.778 400 H GLY 59 H GLY 59 10.444 12.195 -7.300 401 HA2 GLY 59 1HA GLY 59 10.180 9.931 -9.107 402 HA3 GLY 59 2HA GLY 59 11.723 10.770 -9.162 403 H ALA 60 H ALA 60 9.630 10.060 -6.386 404 HA ALA 60 HA ALA 60 11.926 8.888 -5.020 405 HB1 ALA 60 1HB ALA 60 11.059 9.977 -3.293 406 HB2 ALA 60 2HB ALA 60 9.599 10.359 -4.206 407 HB3 ALA 60 3HB ALA 60 9.708 8.843 -3.311 408 H LEU 61 H LEU 61 8.471 8.028 -4.976 409 HA LEU 61 HA LEU 61 9.221 5.243 -5.540 410 HB2 LEU 61 1HB LEU 61 7.894 4.394 -3.807 411 HB3 LEU 61 2HB LEU 61 8.818 5.710 -3.085 412 HG LEU 61 HG LEU 61 6.051 6.241 -4.075 413 HD11 LEU 61 1HD1 LEU 61 5.063 5.504 -2.041 414 HD12 LEU 61 2HD1 LEU 61 6.635 5.101 -1.351 415 HD13 LEU 61 3HD1 LEU 61 5.993 4.153 -2.692 416 HD21 LEU 61 1HD2 LEU 61 8.062 7.511 -2.376 417 HD22 LEU 61 2HD2 LEU 61 6.439 7.514 -1.686 418 HD23 LEU 61 3HD2 LEU 61 6.723 8.221 -3.277 419 H ARG 62 H ARG 62 7.473 3.925 -6.375 420 HA ARG 62 HA ARG 62 5.338 5.514 -7.639 421 HB2 ARG 62 1HB ARG 62 7.177 3.465 -8.805 422 HB3 ARG 62 2HB ARG 62 5.547 3.612 -9.448 423 HG2 ARG 62 1HG ARG 62 6.844 4.967 -10.828 424 HG3 ARG 62 2HG ARG 62 6.065 6.096 -9.717 425 HD2 ARG 62 1HD ARG 62 8.380 6.703 -9.950 426 HD3 ARG 62 2HD ARG 62 8.115 6.069 -8.327 427 HE ARG 62 HE ARG 62 8.949 3.974 -9.995 428 HH11 ARG 62 2HH1 ARG 62 10.177 6.893 -8.548 429 HH12 ARG 62 1HH1 ARG 62 11.812 6.326 -8.479 430 HH21 ARG 62 2HH2 ARG 62 11.099 3.216 -9.909 431 HH22 ARG 62 1HH2 ARG 62 12.336 4.234 -9.253 432 H TYR 63 H TYR 63 3.431 4.945 -6.847 433 HA TYR 63 HA TYR 63 2.940 2.099 -6.271 434 HB2 TYR 63 1HB TYR 63 1.341 2.992 -4.468 435 HB3 TYR 63 2HB TYR 63 3.066 3.054 -4.126 436 HD1 TYR 63 1HD TYR 63 4.278 5.259 -4.449 437 HD2 TYR 63 2HD TYR 63 0.035 4.947 -4.439 438 HE1 TYR 63 1HE TYR 63 4.109 7.672 -4.006 439 HE2 TYR 63 2HE TYR 63 -0.147 7.360 -3.997 440 HH TYR 63 HH TYR 63 2.473 9.488 -4.303 441 H ARG 64 H ARG 64 0.808 1.350 -6.609 442 HA ARG 64 HA ARG 64 -0.860 3.129 -8.264 443 HB2 ARG 64 1HB ARG 64 0.384 1.187 -9.431 444 HB3 ARG 64 2HB ARG 64 -0.780 0.145 -8.623 445 HG2 ARG 64 1HG ARG 64 -2.595 1.507 -9.693 446 HG3 ARG 64 2HG ARG 64 -1.336 2.300 -10.642 447 HD2 ARG 64 1HD ARG 64 -0.715 0.242 -11.675 448 HD3 ARG 64 2HD ARG 64 -1.737 -0.683 -10.576 449 HE ARG 64 HE ARG 64 -3.127 1.255 -12.212 450 HH11 ARG 64 2HH1 ARG 64 -2.037 -2.036 -11.887 451 HH12 ARG 64 1HH1 ARG 64 -3.199 -2.668 -13.006 452 HH21 ARG 64 2HH2 ARG 64 -4.661 0.434 -13.687 453 HH22 ARG 64 1HH2 ARG 64 -4.690 -1.262 -14.030 454 H ILE 65 H ILE 65 -2.540 3.676 -7.024 455 HA ILE 65 HA ILE 65 -3.730 1.673 -5.247 456 HB ILE 65 HB ILE 65 -4.161 4.657 -5.403 457 HG12 ILE 65 1HG1 ILE 65 -2.923 3.038 -3.176 458 HG13 ILE 65 2HG1 ILE 65 -1.972 3.772 -4.464 459 HG21 ILE 65 1HG2 ILE 65 -5.183 3.753 -2.999 460 HG22 ILE 65 2HG2 ILE 65 -6.114 4.258 -4.408 461 HG23 ILE 65 3HG2 ILE 65 -5.730 2.553 -4.169 462 HD11 ILE 65 1HD1 ILE 65 -2.267 5.877 -3.666 463 HD12 ILE 65 2HD1 ILE 65 -3.840 5.510 -2.958 464 HD13 ILE 65 3HD1 ILE 65 -2.365 4.975 -2.154 465 H GLU 66 H GLU 66 -5.427 0.569 -5.942 466 HA GLU 66 HA GLU 66 -7.296 1.881 -7.803 467 HB2 GLU 66 1HB GLU 66 -6.527 -1.043 -7.801 468 HB3 GLU 66 2HB GLU 66 -7.664 -0.270 -8.897 469 HG2 GLU 66 1HG GLU 66 -4.858 0.723 -8.749 470 HG3 GLU 66 2HG GLU 66 -5.222 -0.746 -9.652 471 H GLN 67 H GLN 67 -9.330 1.975 -7.117 472 HA GLN 67 HA GLN 67 -10.235 0.029 -5.105 473 HB2 GLN 67 1HB GLN 67 -9.665 2.301 -4.136 474 HB3 GLN 67 2HB GLN 67 -11.004 2.946 -5.075 475 HG2 GLN 67 1HG GLN 67 -12.333 1.023 -3.862 476 HG3 GLN 67 2HG GLN 67 -11.033 1.189 -2.684 477 HE21 GLN 67 1HE2 GLN 67 -13.999 2.352 -3.709 478 HE22 GLN 67 2HE2 GLN 67 -14.051 3.800 -2.769 479 H LYS 68 H LYS 68 -11.923 -1.071 -5.822 480 HA LYS 68 HA LYS 68 -14.045 0.289 -7.276 481 HB2 LYS 68 1HB LYS 68 -12.244 -1.765 -8.454 482 HB3 LYS 68 2HB LYS 68 -13.956 -1.877 -8.840 483 HG2 LYS 68 1HG LYS 68 -13.960 0.285 -9.825 484 HG3 LYS 68 2HG LYS 68 -12.337 0.628 -9.221 485 HD2 LYS 68 1HD LYS 68 -12.768 -1.727 -11.005 486 HD3 LYS 68 2HD LYS 68 -12.705 -0.110 -11.709 487 HE2 LYS 68 1HE LYS 68 -10.498 0.194 -11.151 488 HE3 LYS 68 2HE LYS 68 -10.578 -0.921 -9.787 489 HZ1 LYS 68 1HZ LYS 68 -10.633 -2.767 -11.316 490 HZ2 LYS 68 2HZ LYS 68 -9.278 -1.808 -11.640 491 HZ3 LYS 68 3HZ LYS 68 -10.635 -1.722 -12.646 492 H GLY 69 H GLY 69 -15.676 -0.146 -5.916 493 HA2 GLY 69 1HA GLY 69 -17.114 -1.321 -4.555 494 HA3 GLY 69 2HA GLY 69 -16.977 -2.556 -5.797 495 H LEU 70 H LEU 70 -16.119 -1.610 -2.607 496 HA LEU 70 HA LEU 70 -14.709 -2.565 -1.035 497 HB2 LEU 70 1HB LEU 70 -15.467 -5.087 -0.836 498 HB3 LEU 70 2HB LEU 70 -16.521 -3.754 -0.369 499 HG LEU 70 HG LEU 70 -16.743 -4.741 -3.157 500 HD11 LEU 70 1HD1 LEU 70 -17.940 -6.674 -2.653 501 HD12 LEU 70 2HD1 LEU 70 -18.116 -6.238 -0.953 502 HD13 LEU 70 3HD1 LEU 70 -16.547 -6.752 -1.574 503 HD21 LEU 70 1HD2 LEU 70 -18.751 -3.747 -3.062 504 HD22 LEU 70 2HD2 LEU 70 -18.098 -2.938 -1.637 505 HD23 LEU 70 3HD2 LEU 70 -19.100 -4.378 -1.453 506 H GLN 71 H GLN 71 -13.400 -2.451 -3.565 507 HA GLN 71 HA GLN 71 -11.643 -4.787 -3.284 508 HB2 GLN 71 1HB GLN 71 -13.300 -4.750 -5.335 509 HB3 GLN 71 2HB GLN 71 -12.113 -3.637 -6.003 510 HG2 GLN 71 1HG GLN 71 -10.389 -5.286 -5.863 511 HG3 GLN 71 2HG GLN 71 -11.447 -6.385 -4.980 512 HE21 GLN 71 1HE2 GLN 71 -10.291 -5.471 -7.992 513 HE22 GLN 71 2HE2 GLN 71 -11.382 -6.381 -8.974 514 H HIS 72 H HIS 72 -9.960 -3.769 -2.325 515 HA HIS 72 HA HIS 72 -8.874 -1.375 -3.650 516 HB2 HIS 72 1HB HIS 72 -8.388 -2.364 -0.832 517 HB3 HIS 72 2HB HIS 72 -7.751 -0.878 -1.530 518 HD2 HIS 72 2HD HIS 72 -11.490 -2.194 -1.289 519 HE1 HIS 72 1HE HIS 72 -11.274 1.816 0.078 520 HE2 HIS 72 2HE HIS 72 -12.766 -0.180 -0.286 521 H ARG 73 H ARG 73 -6.537 -1.187 -3.782 522 HA ARG 73 HA ARG 73 -4.877 -3.483 -3.380 523 HB2 ARG 73 1HB ARG 73 -6.101 -4.109 -5.459 524 HB3 ARG 73 2HB ARG 73 -5.448 -2.672 -6.235 525 HG2 ARG 73 1HG ARG 73 -3.217 -3.513 -6.073 526 HG3 ARG 73 2HG ARG 73 -3.752 -4.872 -5.080 527 HD2 ARG 73 1HD ARG 73 -4.561 -4.361 -7.941 528 HD3 ARG 73 2HD ARG 73 -3.347 -5.526 -7.414 529 HE ARG 73 HE ARG 73 -5.035 -6.925 -6.670 530 HH11 ARG 73 2HH1 ARG 73 -6.339 -3.856 -7.668 531 HH12 ARG 73 1HH1 ARG 73 -7.983 -4.404 -7.660 532 HH21 ARG 73 2HH2 ARG 73 -7.195 -7.659 -6.655 533 HH22 ARG 73 1HH2 ARG 73 -8.468 -6.567 -7.082 534 H LEU 74 H LEU 74 -2.731 -2.955 -3.376 535 HA LEU 74 HA LEU 74 -1.954 -0.312 -4.380 536 HB2 LEU 74 1HB LEU 74 -2.331 0.131 -2.096 537 HB3 LEU 74 2HB LEU 74 -1.564 -1.376 -1.599 538 HG LEU 74 HG LEU 74 0.609 -0.391 -2.463 539 HD11 LEU 74 1HD1 LEU 74 -0.907 2.203 -2.283 540 HD12 LEU 74 2HD1 LEU 74 -0.532 1.393 -3.803 541 HD13 LEU 74 3HD1 LEU 74 0.773 1.961 -2.763 542 HD21 LEU 74 1HD2 LEU 74 -0.260 -0.506 -0.041 543 HD22 LEU 74 2HD2 LEU 74 -0.544 1.226 -0.218 544 HD23 LEU 74 3HD2 LEU 74 1.086 0.576 -0.401 545 H ILE 75 H ILE 75 -0.564 -0.882 -5.940 546 HA ILE 75 HA ILE 75 1.387 -3.004 -5.413 547 HB ILE 75 HB ILE 75 0.721 -1.601 -8.004 548 HG12 ILE 75 1HG1 ILE 75 -0.029 -4.127 -8.428 549 HG13 ILE 75 2HG1 ILE 75 -0.264 -4.083 -6.684 550 HG21 ILE 75 1HG2 ILE 75 2.063 -3.380 -9.050 551 HG22 ILE 75 2HG2 ILE 75 3.021 -2.357 -7.980 552 HG23 ILE 75 3HG2 ILE 75 2.515 -3.960 -7.447 553 HD11 ILE 75 1HD1 ILE 75 -1.786 -2.217 -6.912 554 HD12 ILE 75 2HD1 ILE 75 -1.511 -2.183 -8.654 555 HD13 ILE 75 3HD1 ILE 75 -2.311 -3.570 -7.914 556 H LEU 76 H LEU 76 3.464 -2.579 -5.031 557 HA LEU 76 HA LEU 76 4.410 0.179 -5.452 558 HB2 LEU 76 1HB LEU 76 5.522 -1.847 -3.522 559 HB3 LEU 76 2HB LEU 76 5.923 -0.134 -3.624 560 HG LEU 76 HG LEU 76 3.108 -0.900 -3.020 561 HD11 LEU 76 1HD1 LEU 76 5.073 -0.686 -0.785 562 HD12 LEU 76 2HD1 LEU 76 4.830 -2.235 -1.590 563 HD13 LEU 76 3HD1 LEU 76 3.471 -1.425 -0.810 564 HD21 LEU 76 1HD2 LEU 76 4.787 1.267 -1.800 565 HD22 LEU 76 2HD2 LEU 76 3.032 1.178 -1.955 566 HD23 LEU 76 3HD2 LEU 76 4.030 1.465 -3.381 567 H HIS 77 H HIS 77 5.319 0.065 -7.452 568 HA HIS 77 HA HIS 77 7.044 -2.134 -8.188 569 HB2 HIS 77 1HB HIS 77 6.860 0.386 -9.789 570 HB3 HIS 77 2HB HIS 77 7.007 -1.280 -10.341 571 HD1 HIS 77 1HD HIS 77 4.877 -2.513 -10.880 572 HD2 HIS 77 2HD HIS 77 4.198 1.123 -8.988 573 HE1 HIS 77 1HE HIS 77 2.395 -2.136 -11.020 574 HE2 HIS 77 2HE HIS 77 2.019 0.110 -9.945 575 H ALA 78 H ALA 78 9.223 -2.165 -8.191 576 HA ALA 78 HA ALA 78 11.395 -1.483 -7.960 577 HB1 ALA 78 1HB ALA 78 11.136 1.335 -7.559 578 HB2 ALA 78 2HB ALA 78 11.826 0.465 -8.929 579 HB3 ALA 78 3HB ALA 78 10.103 0.836 -8.899 580 H VAL 79 H VAL 79 10.322 -2.505 -5.798 581 HA VAL 79 HA VAL 79 10.307 -0.749 -3.534 582 HB VAL 79 HB VAL 79 10.180 -2.827 -2.192 583 HG11 VAL 79 1HG1 VAL 79 8.285 -1.775 -3.957 584 HG12 VAL 79 2HG1 VAL 79 8.161 -3.528 -4.121 585 HG13 VAL 79 3HG1 VAL 79 7.984 -2.774 -2.536 586 HG21 VAL 79 1HG2 VAL 79 11.293 -4.546 -3.153 587 HG22 VAL 79 2HG2 VAL 79 9.709 -4.884 -3.851 588 HG23 VAL 79 3HG2 VAL 79 10.921 -4.016 -4.794 589 H LYS 80 H LYS 80 11.992 -0.044 -2.413 590 HA LYS 80 HA LYS 80 14.649 -0.970 -3.031 591 HB2 LYS 80 1HB LYS 80 13.633 1.099 -1.077 592 HB3 LYS 80 2HB LYS 80 15.337 0.762 -1.353 593 HG2 LYS 80 1HG LYS 80 14.960 2.601 -2.692 594 HG3 LYS 80 2HG LYS 80 14.792 1.261 -3.830 595 HD2 LYS 80 1HD LYS 80 12.499 1.494 -3.969 596 HD3 LYS 80 2HD LYS 80 12.379 2.283 -2.395 597 HE2 LYS 80 1HE LYS 80 13.730 3.563 -4.758 598 HE3 LYS 80 2HE LYS 80 12.007 3.746 -4.435 599 HZ1 LYS 80 1HZ LYS 80 13.801 5.427 -3.506 600 HZ2 LYS 80 2HZ LYS 80 13.843 4.309 -2.238 601 HZ3 LYS 80 3HZ LYS 80 12.387 5.065 -2.651 602 H HIS 81 H HIS 81 16.080 -2.018 -1.671 603 HA HIS 81 HA HIS 81 14.951 -3.858 0.174 604 HB2 HIS 81 1HB HIS 81 16.869 -4.598 -0.997 605 HB3 HIS 81 2HB HIS 81 17.784 -3.154 -0.575 606 HD1 HIS 81 1HD HIS 81 16.204 -6.096 1.258 607 HD2 HIS 81 2HD HIS 81 19.496 -3.571 1.471 608 HE1 HIS 81 1HE HIS 81 17.573 -6.939 3.191 609 HE2 HIS 81 2HE HIS 81 19.515 -5.344 3.354 610 H GLN 82 H GLN 82 16.753 -0.848 0.520 611 HA GLN 82 HA GLN 82 17.453 -0.817 3.142 612 HB2 GLN 82 1HB GLN 82 17.285 1.573 3.101 613 HB3 GLN 82 2HB GLN 82 17.787 1.041 1.501 614 HG2 GLN 82 1HG GLN 82 15.593 1.383 0.623 615 HG3 GLN 82 2HG GLN 82 14.946 1.700 2.232 616 HE21 GLN 82 1HE2 GLN 82 15.265 3.684 3.176 617 HE22 GLN 82 2HE2 GLN 82 15.892 5.045 2.316 618 H ASP 83 H ASP 83 14.215 -0.494 1.831 619 HA ASP 83 HA ASP 83 13.071 0.041 4.446 620 HB2 ASP 83 1HB ASP 83 12.282 0.945 2.106 621 HB3 ASP 83 2HB ASP 83 11.420 -0.589 2.029 622 H SER 84 H SER 84 14.477 -2.494 3.916 623 HA SER 84 HA SER 84 12.819 -4.664 3.497 624 HB2 SER 84 1HB SER 84 14.443 -5.980 4.778 625 HB3 SER 84 2HB SER 84 15.270 -4.831 3.726 626 HG SER 84 HG SER 84 16.015 -3.811 5.419 627 H GLY 85 H GLY 85 10.879 -4.920 4.414 628 HA2 GLY 85 1HA GLY 85 9.678 -5.815 6.291 629 HA3 GLY 85 2HA GLY 85 10.763 -4.933 7.355 630 H ALA 86 H ALA 86 9.049 -3.725 4.505 631 HA ALA 86 HA ALA 86 8.168 -1.393 5.859 632 HB1 ALA 86 1HB ALA 86 6.603 -1.908 3.515 633 HB2 ALA 86 2HB ALA 86 7.843 -0.682 3.782 634 HB3 ALA 86 3HB ALA 86 8.297 -2.283 3.198 635 H LEU 87 H LEU 87 6.277 -0.910 6.839 636 HA LEU 87 HA LEU 87 4.425 -3.122 7.304 637 HB2 LEU 87 1HB LEU 87 5.511 -1.498 9.078 638 HB3 LEU 87 2HB LEU 87 4.145 -0.475 8.637 639 HG LEU 87 HG LEU 87 3.459 -1.636 10.556 640 HD11 LEU 87 1HD1 LEU 87 1.929 -1.693 8.494 641 HD12 LEU 87 2HD1 LEU 87 1.546 -2.756 9.847 642 HD13 LEU 87 3HD1 LEU 87 2.340 -3.406 8.413 643 HD21 LEU 87 1HD2 LEU 87 4.937 -3.333 10.971 644 HD22 LEU 87 2HD2 LEU 87 4.887 -3.934 9.313 645 HD23 LEU 87 3HD2 LEU 87 3.546 -4.261 10.411 646 H VAL 88 H VAL 88 3.155 -3.191 5.484 647 HA VAL 88 HA VAL 88 1.811 -0.754 4.601 648 HB VAL 88 HB VAL 88 1.599 -3.525 3.422 649 HG11 VAL 88 1HG1 VAL 88 0.077 -2.643 2.069 650 HG12 VAL 88 2HG1 VAL 88 0.198 -1.109 2.933 651 HG13 VAL 88 3HG1 VAL 88 1.237 -1.424 1.542 652 HG21 VAL 88 1HG2 VAL 88 3.871 -3.002 3.206 653 HG22 VAL 88 2HG2 VAL 88 3.164 -2.508 1.668 654 HG23 VAL 88 3HG2 VAL 88 3.543 -1.298 2.894 655 H GLY 89 H GLY 89 -0.063 -0.209 5.489 656 HA2 GLY 89 1HA GLY 89 -1.953 -2.362 6.193 657 HA3 GLY 89 2HA GLY 89 -1.630 -1.052 7.319 658 H PHE 90 H PHE 90 -4.159 -1.835 6.106 659 HA PHE 90 HA PHE 90 -4.737 0.580 4.522 660 HB2 PHE 90 1HB PHE 90 -5.288 -1.265 3.170 661 HB3 PHE 90 2HB PHE 90 -5.974 -2.162 4.521 662 HD1 PHE 90 1HD PHE 90 -8.215 -1.702 5.312 663 HD2 PHE 90 2HD PHE 90 -6.558 0.439 2.028 664 HE1 PHE 90 1HE PHE 90 -10.459 -0.891 4.713 665 HE2 PHE 90 2HE PHE 90 -8.799 1.254 1.424 666 HZ PHE 90 HZ PHE 90 -10.753 0.590 2.767 667 H SER 91 H SER 91 -5.452 2.104 5.878 668 HA SER 91 HA SER 91 -7.225 1.361 8.083 669 HB2 SER 91 1HB SER 91 -6.823 3.619 8.929 670 HB3 SER 91 2HB SER 91 -5.290 2.823 8.574 671 HG SER 91 HG SER 91 -6.518 4.406 6.607 672 H CYS 92 H CYS 92 -9.349 1.662 7.997 673 HA CYS 92 HA CYS 92 -10.482 3.770 6.348 674 HB2 CYS 92 1HB CYS 92 -11.635 2.467 4.861 675 HB3 CYS 92 2HB CYS 92 -10.239 1.425 5.108 676 HG CYS 92 HG CYS 92 -13.230 1.066 6.734 677 HA PRO 93 HA PRO 93 -13.444 4.033 9.572 678 HB2 PRO 93 1HB PRO 93 -15.659 4.842 8.226 679 HB3 PRO 93 2HB PRO 93 -14.270 5.897 8.513 680 HG2 PRO 93 1HG PRO 93 -14.993 4.343 6.059 681 HG3 PRO 93 2HG PRO 93 -14.389 6.005 6.193 682 HD2 PRO 93 1HD PRO 93 -12.790 3.924 5.527 683 HD3 PRO 93 2HD PRO 93 -12.202 5.324 6.447 684 H GLY 94 H GLY 94 -13.354 1.623 9.809 685 HA2 GLY 94 1HA GLY 94 -15.574 0.363 10.414 686 HA3 GLY 94 2HA GLY 94 -15.659 0.224 8.664 687 H VAL 95 H VAL 95 -12.553 0.126 8.851 688 HA VAL 95 HA VAL 95 -12.226 -2.583 9.895 689 HB VAL 95 HB VAL 95 -11.667 -1.812 7.032 690 HG11 VAL 95 1HG1 VAL 95 -9.762 -3.037 7.704 691 HG12 VAL 95 2HG1 VAL 95 -10.733 -4.185 8.627 692 HG13 VAL 95 3HG1 VAL 95 -10.804 -4.185 6.864 693 HG21 VAL 95 1HG2 VAL 95 -13.750 -2.617 6.817 694 HG22 VAL 95 2HG2 VAL 95 -12.992 -4.197 7.019 695 HG23 VAL 95 3HG2 VAL 95 -13.722 -3.385 8.404 696 H GLN 96 H GLN 96 -10.130 -3.100 10.485 697 HA GLN 96 HA GLN 96 -8.007 -1.173 9.948 698 HB2 GLN 96 1HB GLN 96 -8.731 -2.011 12.760 699 HB3 GLN 96 2HB GLN 96 -7.411 -0.947 12.294 700 HG2 GLN 96 1HG GLN 96 -9.098 0.637 11.381 701 HG3 GLN 96 2HG GLN 96 -10.357 -0.400 12.051 702 HE21 GLN 96 1HE2 GLN 96 -9.240 2.411 12.597 703 HE22 GLN 96 2HE2 GLN 96 -9.093 2.451 14.317 704 H ASP 97 H ASP 97 -6.536 -2.450 9.031 705 HA ASP 97 HA ASP 97 -5.403 -4.623 10.557 706 HB2 ASP 97 1HB ASP 97 -7.412 -5.464 9.069 707 HB3 ASP 97 2HB ASP 97 -6.219 -5.364 7.777 708 H SER 98 H SER 98 -3.513 -5.610 9.341 709 HA SER 98 HA SER 98 -2.353 -3.972 7.261 710 HB2 SER 98 1HB SER 98 -1.003 -4.154 9.965 711 HB3 SER 98 2HB SER 98 -0.336 -3.387 8.525 712 HG SER 98 HG SER 98 -2.730 -2.610 9.840 713 H ALA 99 H ALA 99 0.020 -4.784 6.881 714 HA ALA 99 HA ALA 99 0.255 -7.649 7.426 715 HB1 ALA 99 1HB ALA 99 0.814 -6.812 4.637 716 HB2 ALA 99 2HB ALA 99 0.220 -8.350 5.263 717 HB3 ALA 99 3HB ALA 99 -0.874 -6.975 5.119 718 H ALA 100 H ALA 100 2.427 -8.388 6.196 719 HA ALA 100 HA ALA 100 4.478 -6.399 6.923 720 HB1 ALA 100 1HB ALA 100 5.630 -8.966 6.998 721 HB2 ALA 100 2HB ALA 100 5.294 -7.886 8.352 722 HB3 ALA 100 3HB ALA 100 4.090 -9.075 7.852 723 H LEU 101 H LEU 101 5.828 -5.794 5.360 724 HA LEU 101 HA LEU 101 5.938 -7.426 2.911 725 HB2 LEU 101 1HB LEU 101 4.975 -5.370 2.340 726 HB3 LEU 101 2HB LEU 101 6.088 -4.466 3.364 727 HG LEU 101 HG LEU 101 7.902 -5.257 1.704 728 HD11 LEU 101 1HD1 LEU 101 6.251 -6.870 0.618 729 HD12 LEU 101 2HD1 LEU 101 7.243 -5.881 -0.453 730 HD13 LEU 101 3HD1 LEU 101 5.559 -5.447 -0.161 731 HD21 LEU 101 1HD2 LEU 101 6.162 -3.019 1.792 732 HD22 LEU 101 2HD2 LEU 101 6.447 -3.420 0.098 733 HD23 LEU 101 3HD2 LEU 101 7.811 -3.107 1.172 734 H THR 102 H THR 102 7.754 -8.566 2.826 735 HA THR 102 HA THR 102 10.200 -7.487 4.020 736 HB THR 102 HB THR 102 9.654 -10.267 2.960 737 HG1 THR 102 1HG THR 102 9.260 -9.042 5.428 738 HG21 THR 102 1HG2 THR 102 11.800 -9.999 4.881 739 HG22 THR 102 2HG2 THR 102 12.092 -9.006 3.453 740 HG23 THR 102 3HG2 THR 102 11.812 -10.738 3.281 741 H ILE 103 H ILE 103 12.063 -7.131 2.873 742 HA ILE 103 HA ILE 103 11.951 -7.540 -0.039 743 HB ILE 103 HB ILE 103 13.006 -5.053 1.312 744 HG12 ILE 103 1HG1 ILE 103 10.649 -5.171 -0.549 745 HG13 ILE 103 2HG1 ILE 103 10.444 -5.459 1.175 746 HG21 ILE 103 1HG2 ILE 103 12.799 -5.844 -1.587 747 HG22 ILE 103 2HG2 ILE 103 13.160 -4.211 -1.029 748 HG23 ILE 103 3HG2 ILE 103 14.269 -5.533 -0.664 749 HD11 ILE 103 1HD1 ILE 103 11.147 -2.958 -0.263 750 HD12 ILE 103 2HD1 ILE 103 10.013 -3.224 1.062 751 HD13 ILE 103 3HD1 ILE 103 11.747 -3.193 1.379 752 H GLN 104 H GLN 104 13.496 -8.967 -0.478 753 HA GLN 104 HA GLN 104 15.953 -8.992 1.096 754 HB2 GLN 104 1HB GLN 104 14.950 -10.897 -1.026 755 HB3 GLN 104 2HB GLN 104 16.423 -11.111 -0.089 756 HG2 GLN 104 1HG GLN 104 13.650 -10.972 1.072 757 HG3 GLN 104 2HG GLN 104 14.534 -12.459 0.734 758 HE21 GLN 104 1HE2 GLN 104 13.898 -12.516 3.147 759 HE22 GLN 104 2HE2 GLN 104 15.117 -11.969 4.242 760 H GLU 105 H GLU 105 17.937 -8.481 0.318 761 HA GLU 105 HA GLU 105 18.024 -7.047 -2.203 762 HB2 GLU 105 1HB GLU 105 20.294 -6.404 -1.505 763 HB3 GLU 105 2HB GLU 105 19.102 -6.047 -0.264 764 HG2 GLU 105 1HG GLU 105 19.763 -8.032 0.970 765 HG3 GLU 105 2HG GLU 105 20.928 -8.439 -0.287 766 H SER 106 H SER 106 19.016 -7.699 -4.029 767 HA SER 106 HA SER 106 19.793 -10.473 -4.220 768 HB2 SER 106 1HB SER 106 19.928 -10.071 -6.617 769 HB3 SER 106 2HB SER 106 18.438 -9.370 -5.986 770 HG SER 106 HG SER 106 20.666 -7.712 -6.047 771 H SER 107 H SER 107 21.516 -9.065 -2.548 772 HA SER 107 HA SER 107 23.935 -8.586 -4.122 773 HB2 SER 107 1HB SER 107 23.254 -8.063 -1.224 774 HB3 SER 107 2HB SER 107 24.870 -7.830 -1.892 775 HG SER 107 HG SER 107 22.748 -6.645 -3.249 776 H GLY 108 H GLY 108 26.012 -9.361 -2.888 777 HA2 GLY 108 1HA GLY 108 25.586 -12.202 -2.191 778 HA3 GLY 108 2HA GLY 108 26.961 -11.632 -3.125 779 HA PRO 109 HA PRO 109 28.276 -12.008 1.303 780 HB2 PRO 109 1HB PRO 109 30.610 -13.277 0.745 781 HB3 PRO 109 2HB PRO 109 29.078 -14.133 0.959 782 HG2 PRO 109 1HG PRO 109 30.468 -13.340 -1.571 783 HG3 PRO 109 2HG PRO 109 29.659 -14.866 -1.170 784 HD2 PRO 109 1HD PRO 109 28.487 -12.948 -2.680 785 HD3 PRO 109 2HD PRO 109 27.562 -14.013 -1.602 786 H SER 110 H SER 110 28.513 -9.695 1.213 787 HA SER 110 HA SER 110 31.054 -8.704 0.146 788 HB2 SER 110 1HB SER 110 28.438 -7.458 0.838 789 HB3 SER 110 2HB SER 110 29.883 -6.461 1.007 790 HG SER 110 HG SER 110 28.898 -7.742 -1.316 791 H SER 111 H SER 111 32.095 -6.936 1.537 792 HA SER 111 HA SER 111 33.505 -6.727 3.350 793 HB2 SER 111 1HB SER 111 32.385 -5.760 5.190 794 HB3 SER 111 2HB SER 111 31.338 -5.423 3.812 795 HG SER 111 HG SER 111 30.527 -7.717 4.687 796 H GLY 112 H GLY 112 33.315 -9.419 2.682 797 HA2 GLY 112 1HA GLY 112 34.228 -10.656 5.037 798 HA3 GLY 112 2HA GLY 112 32.558 -11.133 4.771 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -13.514 18.885 9.440 2 HA2 GLY 1 1HA GLY 1 -14.367 16.832 10.347 3 HA3 GLY 1 2HA GLY 1 -15.939 17.601 10.505 4 H SER 2 H SER 2 -16.086 15.244 9.409 5 HA SER 2 HA SER 2 -16.535 15.806 6.563 6 HB2 SER 2 1HB SER 2 -14.397 14.422 7.065 7 HB3 SER 2 2HB SER 2 -15.519 13.113 7.437 8 HG SER 2 HG SER 2 -16.424 13.864 5.227 9 H SER 3 H SER 3 -18.327 14.835 5.666 10 HA SER 3 HA SER 3 -20.255 13.795 7.583 11 HB2 SER 3 1HB SER 3 -21.891 14.084 5.750 12 HB3 SER 3 2HB SER 3 -20.994 15.569 6.070 13 HG SER 3 HG SER 3 -20.002 13.808 4.139 14 H GLY 4 H GLY 4 -21.595 11.921 7.024 15 HA2 GLY 4 1HA GLY 4 -21.603 10.036 5.251 16 HA3 GLY 4 2HA GLY 4 -19.938 9.835 5.777 17 H SER 5 H SER 5 -23.301 9.521 6.696 18 HA SER 5 HA SER 5 -22.771 8.473 9.303 19 HB2 SER 5 1HB SER 5 -24.897 9.501 8.983 20 HB3 SER 5 2HB SER 5 -25.239 8.512 7.563 21 HG SER 5 HG SER 5 -25.702 6.829 8.820 22 H SER 6 H SER 6 -23.597 7.051 6.164 23 HA SER 6 HA SER 6 -23.327 4.362 7.246 24 HB2 SER 6 1HB SER 6 -23.942 3.674 4.903 25 HB3 SER 6 2HB SER 6 -25.152 4.671 5.710 26 HG SER 6 HG SER 6 -24.579 6.384 4.473 27 H GLY 7 H GLY 7 -20.968 5.874 7.354 28 HA2 GLY 7 1HA GLY 7 -19.324 4.897 5.133 29 HA3 GLY 7 2HA GLY 7 -18.836 6.080 6.337 30 H THR 8 H THR 8 -19.798 2.659 6.106 31 HA THR 8 HA THR 8 -17.433 1.855 7.546 32 HB THR 8 HB THR 8 -18.612 0.685 9.354 33 HG1 THR 8 1HG THR 8 -20.780 0.816 9.575 34 HG21 THR 8 1HG2 THR 8 -18.989 2.558 10.747 35 HG22 THR 8 2HG2 THR 8 -19.462 3.573 9.385 36 HG23 THR 8 3HG2 THR 8 -17.780 3.077 9.573 37 H ALA 9 H ALA 9 -17.055 -0.404 7.467 38 HA ALA 9 HA ALA 9 -18.960 -2.100 6.088 39 HB1 ALA 9 1HB ALA 9 -16.231 -1.796 4.869 40 HB2 ALA 9 2HB ALA 9 -17.649 -2.608 4.204 41 HB3 ALA 9 3HB ALA 9 -17.617 -0.849 4.327 42 H ARG 10 H ARG 10 -17.667 -4.307 5.590 43 HA ARG 10 HA ARG 10 -16.234 -4.965 8.080 44 HB2 ARG 10 1HB ARG 10 -18.633 -5.954 7.436 45 HB3 ARG 10 2HB ARG 10 -17.632 -7.098 6.552 46 HG2 ARG 10 1HG ARG 10 -16.617 -7.896 8.497 47 HG3 ARG 10 2HG ARG 10 -17.135 -6.500 9.445 48 HD2 ARG 10 1HD ARG 10 -18.605 -8.134 10.153 49 HD3 ARG 10 2HD ARG 10 -19.528 -7.333 8.882 50 HE ARG 10 HE ARG 10 -19.450 -9.266 7.659 51 HH11 ARG 10 2HH1 ARG 10 -17.067 -9.423 10.192 52 HH12 ARG 10 1HH1 ARG 10 -16.675 -11.085 9.899 53 HH21 ARG 10 2HH2 ARG 10 -18.943 -11.454 7.263 54 HH22 ARG 10 1HH2 ARG 10 -17.742 -12.239 8.232 55 H LEU 11 H LEU 11 -14.640 -6.669 7.940 56 HA LEU 11 HA LEU 11 -13.148 -6.514 5.450 57 HB2 LEU 11 1HB LEU 11 -12.066 -6.175 7.664 58 HB3 LEU 11 2HB LEU 11 -12.402 -7.863 8.040 59 HG LEU 11 HG LEU 11 -10.899 -8.600 6.309 60 HD11 LEU 11 1HD1 LEU 11 -10.557 -5.676 5.665 61 HD12 LEU 11 2HD1 LEU 11 -11.313 -6.899 4.644 62 HD13 LEU 11 3HD1 LEU 11 -9.587 -6.986 4.993 63 HD21 LEU 11 1HD2 LEU 11 -8.787 -7.730 7.180 64 HD22 LEU 11 2HD2 LEU 11 -9.924 -8.080 8.483 65 HD23 LEU 11 3HD2 LEU 11 -9.653 -6.413 7.972 66 H VAL 12 H VAL 12 -13.928 -7.877 3.942 67 HA VAL 12 HA VAL 12 -14.885 -10.511 4.607 68 HB VAL 12 HB VAL 12 -14.397 -9.243 1.908 69 HG11 VAL 12 1HG1 VAL 12 -14.537 -11.381 1.221 70 HG12 VAL 12 2HG1 VAL 12 -15.268 -11.928 2.731 71 HG13 VAL 12 3HG1 VAL 12 -16.264 -11.158 1.495 72 HG21 VAL 12 1HG2 VAL 12 -16.153 -8.272 3.547 73 HG22 VAL 12 2HG2 VAL 12 -16.621 -8.585 1.876 74 HG23 VAL 12 3HG2 VAL 12 -17.079 -9.718 3.148 75 H ALA 13 H ALA 13 -11.900 -9.095 3.590 76 HA ALA 13 HA ALA 13 -10.509 -11.573 3.954 77 HB1 ALA 13 1HB ALA 13 -9.897 -12.124 1.827 78 HB2 ALA 13 2HB ALA 13 -11.501 -11.463 1.507 79 HB3 ALA 13 3HB ALA 13 -10.068 -10.473 1.229 80 H GLY 14 H GLY 14 -9.001 -10.745 5.276 81 HA2 GLY 14 1HA GLY 14 -7.952 -8.128 5.098 82 HA3 GLY 14 2HA GLY 14 -7.275 -9.443 6.047 83 H LEU 15 H LEU 15 -5.556 -7.696 4.931 84 HA LEU 15 HA LEU 15 -4.670 -8.185 2.339 85 HB2 LEU 15 1HB LEU 15 -3.177 -7.350 4.813 86 HB3 LEU 15 2HB LEU 15 -2.431 -7.418 3.218 87 HG LEU 15 HG LEU 15 -3.091 -5.138 3.876 88 HD11 LEU 15 1HD1 LEU 15 -4.551 -6.346 1.536 89 HD12 LEU 15 2HD1 LEU 15 -2.947 -5.615 1.537 90 HD13 LEU 15 3HD1 LEU 15 -4.373 -4.612 1.808 91 HD21 LEU 15 1HD2 LEU 15 -5.927 -6.139 3.687 92 HD22 LEU 15 2HD2 LEU 15 -5.389 -4.507 4.086 93 HD23 LEU 15 3HD2 LEU 15 -5.082 -5.836 5.205 94 H GLU 16 H GLU 16 -2.148 -9.013 2.222 95 HA GLU 16 HA GLU 16 -1.941 -11.609 3.543 96 HB2 GLU 16 1HB GLU 16 -1.979 -11.219 0.549 97 HB3 GLU 16 2HB GLU 16 -1.374 -12.675 1.328 98 HG2 GLU 16 1HG GLU 16 -4.116 -11.722 1.983 99 HG3 GLU 16 2HG GLU 16 -3.831 -12.537 0.446 100 H ASP 17 H ASP 17 0.182 -12.530 3.457 101 HA ASP 17 HA ASP 17 2.247 -10.623 3.726 102 HB2 ASP 17 1HB ASP 17 3.703 -12.798 3.651 103 HB3 ASP 17 2HB ASP 17 2.613 -12.519 5.006 104 H VAL 18 H VAL 18 4.031 -10.174 2.440 105 HA VAL 18 HA VAL 18 4.047 -11.280 -0.277 106 HB VAL 18 HB VAL 18 2.833 -9.116 -0.338 107 HG11 VAL 18 1HG1 VAL 18 3.760 -7.836 1.385 108 HG12 VAL 18 2HG1 VAL 18 5.411 -8.115 0.827 109 HG13 VAL 18 3HG1 VAL 18 4.336 -7.058 -0.088 110 HG21 VAL 18 1HG2 VAL 18 4.259 -10.011 -2.225 111 HG22 VAL 18 2HG2 VAL 18 3.936 -8.277 -2.258 112 HG23 VAL 18 3HG2 VAL 18 5.502 -8.872 -1.707 113 H GLN 19 H GLN 19 6.067 -11.202 -1.332 114 HA GLN 19 HA GLN 19 8.362 -10.180 0.128 115 HB2 GLN 19 1HB GLN 19 9.506 -12.224 0.354 116 HB3 GLN 19 2HB GLN 19 7.873 -12.562 0.911 117 HG2 GLN 19 1HG GLN 19 7.337 -13.578 -1.234 118 HG3 GLN 19 2HG GLN 19 8.961 -13.218 -1.817 119 HE21 GLN 19 1HE2 GLN 19 7.934 -14.410 1.342 120 HE22 GLN 19 2HE2 GLN 19 8.803 -15.901 1.262 121 H VAL 20 H VAL 20 9.766 -9.306 -1.245 122 HA VAL 20 HA VAL 20 10.121 -10.427 -3.909 123 HB VAL 20 HB VAL 20 9.823 -8.283 -5.042 124 HG11 VAL 20 1HG1 VAL 20 7.439 -9.165 -3.420 125 HG12 VAL 20 2HG1 VAL 20 7.359 -8.112 -4.834 126 HG13 VAL 20 3HG1 VAL 20 7.931 -9.773 -5.000 127 HG21 VAL 20 1HG2 VAL 20 10.341 -6.711 -3.338 128 HG22 VAL 20 2HG2 VAL 20 8.657 -6.437 -3.787 129 HG23 VAL 20 3HG2 VAL 20 9.043 -7.306 -2.302 130 H TYR 21 H TYR 21 12.005 -9.585 -5.012 131 HA TYR 21 HA TYR 21 14.143 -9.020 -3.157 132 HB2 TYR 21 1HB TYR 21 13.992 -9.655 -6.085 133 HB3 TYR 21 2HB TYR 21 15.481 -9.018 -5.397 134 HD1 TYR 21 1HD TYR 21 13.265 -11.207 -3.464 135 HD2 TYR 21 2HD TYR 21 16.748 -11.019 -5.900 136 HE1 TYR 21 1HE TYR 21 13.891 -13.471 -2.733 137 HE2 TYR 21 2HE TYR 21 17.383 -13.282 -5.176 138 HH TYR 21 HH TYR 21 16.121 -15.348 -4.271 139 H ASP 22 H ASP 22 15.684 -7.281 -3.480 140 HA ASP 22 HA ASP 22 14.614 -4.762 -3.441 141 HB2 ASP 22 1HB ASP 22 16.895 -3.917 -3.872 142 HB3 ASP 22 2HB ASP 22 16.888 -5.228 -2.696 143 H GLY 23 H GLY 23 14.230 -3.128 -4.895 144 HA2 GLY 23 1HA GLY 23 14.064 -2.076 -6.961 145 HA3 GLY 23 2HA GLY 23 14.917 -3.431 -7.687 146 H GLU 24 H GLU 24 13.027 -5.375 -6.487 147 HA GLU 24 HA GLU 24 11.240 -5.588 -8.641 148 HB2 GLU 24 1HB GLU 24 11.049 -6.870 -5.909 149 HB3 GLU 24 2HB GLU 24 10.176 -7.384 -7.346 150 HG2 GLU 24 1HG GLU 24 13.169 -7.399 -7.026 151 HG3 GLU 24 2HG GLU 24 12.112 -8.801 -6.874 152 H ASP 25 H ASP 25 8.764 -6.026 -7.984 153 HA ASP 25 HA ASP 25 7.837 -3.574 -6.635 154 HB2 ASP 25 1HB ASP 25 6.401 -5.005 -8.876 155 HB3 ASP 25 2HB ASP 25 6.011 -3.433 -8.185 156 H ALA 26 H ALA 26 6.218 -3.738 -5.156 157 HA ALA 26 HA ALA 26 5.468 -6.455 -4.362 158 HB1 ALA 26 1HB ALA 26 4.758 -5.404 -2.242 159 HB2 ALA 26 2HB ALA 26 6.457 -5.113 -2.619 160 HB3 ALA 26 3HB ALA 26 5.265 -3.839 -2.877 161 H VAL 27 H VAL 27 3.254 -6.871 -3.665 162 HA VAL 27 HA VAL 27 1.243 -5.127 -4.903 163 HB VAL 27 HB VAL 27 1.281 -8.130 -5.232 164 HG11 VAL 27 1HG1 VAL 27 -0.648 -5.982 -6.037 165 HG12 VAL 27 2HG1 VAL 27 -0.553 -7.503 -6.927 166 HG13 VAL 27 3HG1 VAL 27 -0.964 -7.508 -5.211 167 HG21 VAL 27 1HG2 VAL 27 1.969 -7.856 -7.441 168 HG22 VAL 27 2HG2 VAL 27 1.578 -6.136 -7.452 169 HG23 VAL 27 3HG2 VAL 27 2.981 -6.716 -6.554 170 H PHE 28 H PHE 28 -0.597 -4.895 -3.751 171 HA PHE 28 HA PHE 28 -1.120 -6.744 -1.537 172 HB2 PHE 28 1HB PHE 28 -0.750 -3.768 -1.347 173 HB3 PHE 28 2HB PHE 28 -1.772 -4.620 -0.194 174 HD1 PHE 28 1HD PHE 28 -0.678 -6.675 0.977 175 HD2 PHE 28 2HD PHE 28 1.501 -3.548 -0.918 176 HE1 PHE 28 1HE PHE 28 1.308 -7.257 2.308 177 HE2 PHE 28 2HE PHE 28 3.491 -4.126 0.409 178 HZ PHE 28 HZ PHE 28 3.397 -5.983 2.023 179 H SER 29 H SER 29 -3.217 -7.251 -1.290 180 HA SER 29 HA SER 29 -5.293 -5.503 -2.333 181 HB2 SER 29 1HB SER 29 -4.877 -6.772 -4.309 182 HB3 SER 29 2HB SER 29 -4.772 -8.280 -3.401 183 HG SER 29 HG SER 29 -6.787 -8.162 -4.364 184 H LEU 30 H LEU 30 -7.453 -6.175 -1.682 185 HA LEU 30 HA LEU 30 -7.732 -8.291 0.251 186 HB2 LEU 30 1HB LEU 30 -8.400 -6.895 2.107 187 HB3 LEU 30 2HB LEU 30 -6.750 -6.517 1.618 188 HG LEU 30 HG LEU 30 -8.062 -4.634 0.229 189 HD11 LEU 30 1HD1 LEU 30 -10.245 -4.803 0.822 190 HD12 LEU 30 2HD1 LEU 30 -9.694 -3.771 2.141 191 HD13 LEU 30 3HD1 LEU 30 -9.881 -5.506 2.399 192 HD21 LEU 30 1HD2 LEU 30 -6.983 -3.210 1.596 193 HD22 LEU 30 2HD2 LEU 30 -6.298 -4.686 2.276 194 HD23 LEU 30 3HD2 LEU 30 -7.679 -3.915 3.055 195 H ASP 31 H ASP 31 -10.021 -8.191 1.238 196 HA ASP 31 HA ASP 31 -11.899 -7.173 -0.792 197 HB2 ASP 31 1HB ASP 31 -12.199 -9.740 0.779 198 HB3 ASP 31 2HB ASP 31 -13.272 -9.148 -0.487 199 H LEU 32 H LEU 32 -14.015 -6.618 -0.035 200 HA LEU 32 HA LEU 32 -14.278 -6.281 2.865 201 HB2 LEU 32 1HB LEU 32 -14.774 -4.103 0.841 202 HB3 LEU 32 2HB LEU 32 -15.073 -3.992 2.575 203 HG LEU 32 HG LEU 32 -12.378 -4.262 1.244 204 HD11 LEU 32 1HD1 LEU 32 -12.720 -2.061 0.935 205 HD12 LEU 32 2HD1 LEU 32 -12.319 -1.957 2.648 206 HD13 LEU 32 3HD1 LEU 32 -14.007 -1.982 2.139 207 HD21 LEU 32 1HD2 LEU 32 -11.627 -4.993 3.199 208 HD22 LEU 32 2HD2 LEU 32 -13.235 -4.859 3.912 209 HD23 LEU 32 3HD2 LEU 32 -12.143 -3.473 3.930 210 H SER 33 H SER 33 -16.443 -6.034 3.607 211 HA SER 33 HA SER 33 -18.319 -7.612 2.190 212 HB2 SER 33 1HB SER 33 -19.838 -7.144 4.016 213 HB3 SER 33 2HB SER 33 -18.225 -7.403 4.681 214 HG SER 33 HG SER 33 -19.789 -5.141 4.675 215 H THR 34 H THR 34 -17.628 -4.233 2.232 216 HA THR 34 HA THR 34 -19.525 -3.763 0.116 217 HB THR 34 HB THR 34 -20.908 -3.480 2.185 218 HG1 THR 34 1HG THR 34 -20.720 -0.919 1.095 219 HG21 THR 34 1HG2 THR 34 -19.761 -2.534 3.892 220 HG22 THR 34 2HG2 THR 34 -20.323 -1.031 3.161 221 HG23 THR 34 3HG2 THR 34 -18.700 -1.626 2.815 222 H ILE 35 H ILE 35 -19.498 -1.285 -0.415 223 HA ILE 35 HA ILE 35 -16.763 -0.605 -0.893 224 HB ILE 35 HB ILE 35 -19.278 0.985 -1.413 225 HG12 ILE 35 1HG1 ILE 35 -18.448 0.249 -3.842 226 HG13 ILE 35 2HG1 ILE 35 -17.772 -1.093 -2.925 227 HG21 ILE 35 1HG2 ILE 35 -16.406 1.530 -1.922 228 HG22 ILE 35 2HG2 ILE 35 -17.566 1.997 -3.164 229 HG23 ILE 35 3HG2 ILE 35 -17.718 2.641 -1.530 230 HD11 ILE 35 1HD1 ILE 35 -19.757 -2.058 -2.718 231 HD12 ILE 35 2HD1 ILE 35 -20.520 -0.556 -2.196 232 HD13 ILE 35 3HD1 ILE 35 -20.336 -0.900 -3.916 233 H ILE 36 H ILE 36 -15.532 1.011 -0.019 234 HA ILE 36 HA ILE 36 -16.616 2.910 1.849 235 HB ILE 36 HB ILE 36 -16.384 0.867 3.255 236 HG12 ILE 36 1HG1 ILE 36 -14.305 2.785 4.217 237 HG13 ILE 36 2HG1 ILE 36 -15.939 3.383 3.949 238 HG21 ILE 36 1HG2 ILE 36 -14.339 -0.164 3.676 239 HG22 ILE 36 2HG2 ILE 36 -14.304 0.124 1.938 240 HG23 ILE 36 3HG2 ILE 36 -13.414 1.188 3.026 241 HD11 ILE 36 1HD1 ILE 36 -16.141 0.976 5.416 242 HD12 ILE 36 2HD1 ILE 36 -14.903 1.976 6.179 243 HD13 ILE 36 3HD1 ILE 36 -16.527 2.618 5.932 244 H GLN 37 H GLN 37 -15.171 4.580 2.358 245 HA GLN 37 HA GLN 37 -12.890 4.747 0.543 246 HB2 GLN 37 1HB GLN 37 -14.699 6.559 0.778 247 HB3 GLN 37 2HB GLN 37 -13.915 6.966 2.298 248 HG2 GLN 37 1HG GLN 37 -11.876 7.513 1.175 249 HG3 GLN 37 2HG GLN 37 -12.510 6.921 -0.360 250 HE21 GLN 37 1HE2 GLN 37 -13.242 9.271 2.190 251 HE22 GLN 37 2HE2 GLN 37 -13.823 10.503 1.128 252 H GLY 38 H GLY 38 -11.390 3.440 1.628 253 HA2 GLY 38 1HA GLY 38 -10.593 4.294 4.322 254 HA3 GLY 38 2HA GLY 38 -10.139 2.784 3.547 255 H THR 39 H THR 39 -8.025 3.630 4.501 256 HA THR 39 HA THR 39 -6.596 5.024 2.354 257 HB THR 39 HB THR 39 -6.402 5.729 5.287 258 HG1 THR 39 1HG THR 39 -6.876 7.863 4.296 259 HG21 THR 39 1HG2 THR 39 -4.225 6.088 4.817 260 HG22 THR 39 2HG2 THR 39 -4.824 7.525 3.988 261 HG23 THR 39 3HG2 THR 39 -4.494 6.053 3.075 262 H TRP 40 H TRP 40 -4.462 4.404 2.077 263 HA TRP 40 HA TRP 40 -3.765 1.860 3.293 264 HB2 TRP 40 1HB TRP 40 -2.645 3.456 0.998 265 HB3 TRP 40 2HB TRP 40 -1.793 2.058 1.648 266 HD1 TRP 40 HD TRP 40 -4.700 3.014 -0.565 267 HE1 TRP 40 1HE TRP 40 -5.734 0.888 -1.582 268 HE3 TRP 40 3HE TRP 40 -2.229 -0.497 2.211 269 HZ2 TRP 40 2HZ TRP 40 -5.530 -1.908 -1.250 270 HZ3 TRP 40 3HZ TRP 40 -2.707 -2.875 1.800 271 HH2 TRP 40 HH TRP 40 -4.323 -3.564 0.105 272 H PHE 41 H PHE 41 -1.723 1.447 4.277 273 HA PHE 41 HA PHE 41 -0.368 3.838 5.332 274 HB2 PHE 41 1HB PHE 41 -1.502 1.500 6.798 275 HB3 PHE 41 2HB PHE 41 -0.008 2.210 7.400 276 HD1 PHE 41 2HD PHE 41 -3.213 3.549 6.027 277 HD2 PHE 41 1HD PHE 41 -0.344 3.615 9.170 278 HE1 PHE 41 2HE PHE 41 -4.511 5.299 7.170 279 HE2 PHE 41 1HE PHE 41 -1.637 5.365 10.319 280 HZ PHE 41 HZ PHE 41 -3.723 6.210 9.318 281 H LEU 42 H LEU 42 1.830 3.358 6.188 282 HA LEU 42 HA LEU 42 3.120 0.966 5.192 283 HB2 LEU 42 1HB LEU 42 3.033 2.587 3.272 284 HB3 LEU 42 2HB LEU 42 4.062 3.657 4.223 285 HG LEU 42 HG LEU 42 5.604 1.490 4.277 286 HD11 LEU 42 1HD1 LEU 42 5.157 -0.093 2.785 287 HD12 LEU 42 2HD1 LEU 42 4.918 1.090 1.501 288 HD13 LEU 42 3HD1 LEU 42 3.578 0.661 2.564 289 HD21 LEU 42 1HD2 LEU 42 5.764 2.904 1.698 290 HD22 LEU 42 2HD2 LEU 42 6.981 2.691 2.957 291 HD23 LEU 42 3HD2 LEU 42 5.736 3.929 3.133 292 H ASN 43 H ASN 43 4.516 0.341 6.692 293 HA ASN 43 HA ASN 43 5.989 0.355 8.425 294 HB2 ASN 43 1HB ASN 43 6.586 3.212 7.636 295 HB3 ASN 43 2HB ASN 43 7.633 2.108 8.523 296 HD21 ASN 43 1HD2 ASN 43 7.266 -0.189 6.992 297 HD22 ASN 43 2HD2 ASN 43 7.979 0.065 5.439 298 H GLY 44 H GLY 44 3.254 1.084 8.904 299 HA2 GLY 44 1HA GLY 44 2.118 1.584 10.874 300 HA3 GLY 44 2HA GLY 44 3.598 2.276 11.520 301 H GLU 45 H GLU 45 3.675 3.823 8.822 302 HA GLU 45 HA GLU 45 2.152 6.090 9.851 303 HB2 GLU 45 1HB GLU 45 4.434 5.759 7.960 304 HB3 GLU 45 2HB GLU 45 3.401 7.169 7.772 305 HG2 GLU 45 1HG GLU 45 4.067 8.099 9.745 306 HG3 GLU 45 2HG GLU 45 4.441 6.542 10.481 307 H GLU 46 H GLU 46 1.320 7.562 7.925 308 HA GLU 46 HA GLU 46 -0.489 5.854 6.365 309 HB2 GLU 46 1HB GLU 46 -1.605 7.423 7.855 310 HB3 GLU 46 2HB GLU 46 -0.718 8.765 7.146 311 HG2 GLU 46 1HG GLU 46 -1.817 8.079 4.940 312 HG3 GLU 46 2HG GLU 46 -2.910 7.122 5.939 313 H LEU 47 H LEU 47 -0.851 6.244 4.163 314 HA LEU 47 HA LEU 47 1.431 7.442 2.799 315 HB2 LEU 47 1HB LEU 47 -0.820 5.668 1.894 316 HB3 LEU 47 2HB LEU 47 0.307 6.415 0.764 317 HG LEU 47 HG LEU 47 1.228 4.626 2.999 318 HD11 LEU 47 1HD1 LEU 47 0.313 2.886 1.969 319 HD12 LEU 47 2HD1 LEU 47 1.374 3.213 0.599 320 HD13 LEU 47 3HD1 LEU 47 -0.250 3.897 0.638 321 HD21 LEU 47 1HD2 LEU 47 2.457 5.529 0.397 322 HD22 LEU 47 2HD2 LEU 47 3.171 4.346 1.494 323 HD23 LEU 47 3HD2 LEU 47 2.941 6.013 2.023 324 H LYS 48 H LYS 48 1.204 8.956 1.100 325 HA LYS 48 HA LYS 48 -1.352 10.418 1.071 326 HB2 LYS 48 1HB LYS 48 -0.200 12.522 1.055 327 HB3 LYS 48 2HB LYS 48 0.400 11.589 2.420 328 HG2 LYS 48 1HG LYS 48 2.272 10.871 0.768 329 HG3 LYS 48 2HG LYS 48 1.771 12.305 -0.131 330 HD2 LYS 48 1HD LYS 48 2.247 12.574 2.793 331 HD3 LYS 48 2HD LYS 48 3.648 12.415 1.731 332 HE2 LYS 48 1HE LYS 48 1.518 14.362 1.000 333 HE3 LYS 48 2HE LYS 48 2.617 14.774 2.314 334 HZ1 LYS 48 1HZ LYS 48 3.114 14.629 -0.526 335 HZ2 LYS 48 2HZ LYS 48 4.311 13.903 0.423 336 HZ3 LYS 48 3HZ LYS 48 3.908 15.528 0.668 337 H SER 49 H SER 49 -2.206 10.327 -0.890 338 HA SER 49 HA SER 49 -0.572 9.744 -3.202 339 HB2 SER 49 1HB SER 49 -2.676 9.567 -4.409 340 HB3 SER 49 2HB SER 49 -2.807 8.699 -2.879 341 HG SER 49 HG SER 49 -4.540 10.303 -3.619 342 H ASN 50 H ASN 50 0.368 12.061 -2.361 343 HA ASN 50 HA ASN 50 -1.005 14.274 -3.639 344 HB2 ASN 50 1HB ASN 50 1.336 13.969 -1.827 345 HB3 ASN 50 2HB ASN 50 1.309 15.382 -2.879 346 HD21 ASN 50 1HD2 ASN 50 0.797 17.012 -1.588 347 HD22 ASN 50 2HD2 ASN 50 -0.578 17.072 -0.544 348 H GLU 51 H GLU 51 0.844 15.829 -4.732 349 HA GLU 51 HA GLU 51 2.123 14.183 -6.815 350 HB2 GLU 51 1HB GLU 51 0.637 16.794 -7.129 351 HB3 GLU 51 2HB GLU 51 1.642 16.086 -8.387 352 HG2 GLU 51 1HG GLU 51 -0.867 14.933 -7.198 353 HG3 GLU 51 2HG GLU 51 -0.640 15.549 -8.833 354 HA PRO 52 HA PRO 52 5.877 16.303 -5.992 355 HB2 PRO 52 1HB PRO 52 7.010 16.342 -8.458 356 HB3 PRO 52 2HB PRO 52 6.873 14.871 -7.488 357 HG2 PRO 52 1HG PRO 52 5.149 15.820 -9.744 358 HG3 PRO 52 2HG PRO 52 5.765 14.190 -9.415 359 HD2 PRO 52 1HD PRO 52 3.234 14.940 -8.812 360 HD3 PRO 52 2HD PRO 52 4.134 13.754 -7.846 361 H GLU 53 H GLU 53 7.351 17.990 -7.519 362 HA GLU 53 HA GLU 53 7.598 20.173 -8.110 363 HB2 GLU 53 1HB GLU 53 4.789 19.735 -9.127 364 HB3 GLU 53 2HB GLU 53 5.690 21.222 -9.389 365 HG2 GLU 53 1HG GLU 53 7.493 19.683 -10.404 366 HG3 GLU 53 2HG GLU 53 6.195 18.493 -10.496 367 H GLY 54 H GLY 54 7.010 19.710 -5.458 368 HA2 GLY 54 1HA GLY 54 6.453 22.165 -4.414 369 HA3 GLY 54 2HA GLY 54 4.871 21.415 -4.567 370 H GLN 55 H GLN 55 4.378 19.575 -3.311 371 HA GLN 55 HA GLN 55 5.431 19.617 -0.702 372 HB2 GLN 55 1HB GLN 55 3.665 17.651 -2.150 373 HB3 GLN 55 2HB GLN 55 4.125 17.435 -0.467 374 HG2 GLN 55 1HG GLN 55 2.574 19.736 -1.630 375 HG3 GLN 55 2HG GLN 55 1.951 18.450 -0.596 376 HE21 GLN 55 1HE2 GLN 55 2.348 21.506 -0.431 377 HE22 GLN 55 2HE2 GLN 55 3.001 21.728 1.153 378 H VAL 56 H VAL 56 5.920 17.365 -3.398 379 HA VAL 56 HA VAL 56 8.362 16.422 -2.058 380 HB VAL 56 HB VAL 56 7.927 14.136 -2.915 381 HG11 VAL 56 1HG1 VAL 56 5.699 15.100 -1.131 382 HG12 VAL 56 2HG1 VAL 56 6.424 13.491 -1.176 383 HG13 VAL 56 3HG1 VAL 56 7.361 14.866 -0.589 384 HG21 VAL 56 1HG2 VAL 56 6.399 13.941 -4.531 385 HG22 VAL 56 2HG2 VAL 56 5.188 14.043 -3.252 386 HG23 VAL 56 3HG2 VAL 56 5.664 15.495 -4.134 387 H GLU 57 H GLU 57 9.444 14.805 -3.855 388 HA GLU 57 HA GLU 57 9.877 16.563 -6.159 389 HB2 GLU 57 1HB GLU 57 11.977 15.378 -6.470 390 HB3 GLU 57 2HB GLU 57 11.845 15.949 -4.812 391 HG2 GLU 57 1HG GLU 57 11.255 13.737 -4.053 392 HG3 GLU 57 2HG GLU 57 11.248 13.140 -5.712 393 HA PRO 58 HA PRO 58 7.890 13.828 -8.967 394 HB2 PRO 58 1HB PRO 58 9.263 14.406 -11.237 395 HB3 PRO 58 2HB PRO 58 8.082 15.509 -10.521 396 HG2 PRO 58 1HG PRO 58 11.068 15.538 -10.315 397 HG3 PRO 58 2HG PRO 58 9.951 16.892 -10.568 398 HD2 PRO 58 1HD PRO 58 11.033 16.328 -8.151 399 HD3 PRO 58 2HD PRO 58 9.412 17.029 -8.331 400 H GLY 59 H GLY 59 8.102 11.793 -9.817 401 HA2 GLY 59 1HA GLY 59 9.042 9.743 -10.241 402 HA3 GLY 59 2HA GLY 59 10.496 10.617 -10.700 403 H ALA 60 H ALA 60 9.150 10.936 -7.507 404 HA ALA 60 HA ALA 60 11.584 10.144 -6.276 405 HB1 ALA 60 1HB ALA 60 9.051 11.275 -5.448 406 HB2 ALA 60 2HB ALA 60 9.646 10.079 -4.295 407 HB3 ALA 60 3HB ALA 60 10.656 11.456 -4.737 408 H LEU 61 H LEU 61 8.329 8.688 -6.062 409 HA LEU 61 HA LEU 61 9.625 6.058 -5.813 410 HB2 LEU 61 1HB LEU 61 8.277 5.413 -4.049 411 HB3 LEU 61 2HB LEU 61 8.672 7.085 -3.656 412 HG LEU 61 HG LEU 61 6.116 6.435 -5.073 413 HD11 LEU 61 1HD1 LEU 61 6.198 4.946 -3.135 414 HD12 LEU 61 2HD1 LEU 61 4.993 6.216 -2.926 415 HD13 LEU 61 3HD1 LEU 61 6.542 6.325 -2.090 416 HD21 LEU 61 1HD2 LEU 61 5.962 8.648 -4.920 417 HD22 LEU 61 2HD2 LEU 61 7.375 8.742 -3.869 418 HD23 LEU 61 3HD2 LEU 61 5.779 8.440 -3.179 419 H ARG 62 H ARG 62 8.124 4.238 -6.308 420 HA ARG 62 HA ARG 62 6.177 5.021 -8.379 421 HB2 ARG 62 1HB ARG 62 8.289 2.907 -8.366 422 HB3 ARG 62 2HB ARG 62 6.804 2.614 -9.260 423 HG2 ARG 62 1HG ARG 62 7.233 4.277 -10.789 424 HG3 ARG 62 2HG ARG 62 8.292 5.161 -9.688 425 HD2 ARG 62 1HD ARG 62 10.092 3.765 -10.090 426 HD3 ARG 62 2HD ARG 62 9.068 2.434 -10.629 427 HE ARG 62 HE ARG 62 10.225 4.422 -12.261 428 HH11 ARG 62 2HH1 ARG 62 7.268 2.633 -11.845 429 HH12 ARG 62 1HH1 ARG 62 6.821 2.729 -13.516 430 HH21 ARG 62 2HH2 ARG 62 9.649 4.555 -14.464 431 HH22 ARG 62 1HH2 ARG 62 8.177 3.821 -15.005 432 H TYR 63 H TYR 63 4.164 4.502 -7.873 433 HA TYR 63 HA TYR 63 3.498 1.926 -6.787 434 HB2 TYR 63 1HB TYR 63 2.417 2.716 -4.758 435 HB3 TYR 63 2HB TYR 63 4.117 3.171 -4.740 436 HD1 TYR 63 1HD TYR 63 4.410 5.594 -6.083 437 HD2 TYR 63 2HD TYR 63 1.050 4.304 -3.814 438 HE1 TYR 63 1HE TYR 63 3.781 7.940 -5.691 439 HE2 TYR 63 2HE TYR 63 0.411 6.646 -3.417 440 HH TYR 63 HH TYR 63 2.427 9.203 -3.873 441 H ARG 64 H ARG 64 1.106 1.690 -6.516 442 HA ARG 64 HA ARG 64 -0.453 3.620 -8.068 443 HB2 ARG 64 1HB ARG 64 0.344 1.852 -9.628 444 HB3 ARG 64 2HB ARG 64 -0.475 0.652 -8.637 445 HG2 ARG 64 1HG ARG 64 -2.608 1.933 -9.071 446 HG3 ARG 64 2HG ARG 64 -1.702 2.842 -10.283 447 HD2 ARG 64 1HD ARG 64 -2.598 1.176 -11.581 448 HD3 ARG 64 2HD ARG 64 -1.053 0.450 -11.137 449 HE ARG 64 HE ARG 64 -2.766 -0.387 -9.193 450 HH11 ARG 64 2HH1 ARG 64 -2.752 -0.537 -12.672 451 HH12 ARG 64 1HH1 ARG 64 -3.647 -2.019 -12.741 452 HH21 ARG 64 2HH2 ARG 64 -3.944 -2.339 -9.272 453 HH22 ARG 64 1HH2 ARG 64 -4.325 -3.043 -10.807 454 H ILE 65 H ILE 65 -2.328 4.052 -7.110 455 HA ILE 65 HA ILE 65 -3.320 2.160 -5.083 456 HB ILE 65 HB ILE 65 -3.697 5.150 -5.269 457 HG12 ILE 65 1HG1 ILE 65 -2.315 3.461 -3.173 458 HG13 ILE 65 2HG1 ILE 65 -1.486 4.352 -4.444 459 HG21 ILE 65 1HG2 ILE 65 -5.256 3.113 -3.918 460 HG22 ILE 65 2HG2 ILE 65 -4.608 4.308 -2.796 461 HG23 ILE 65 3HG2 ILE 65 -5.601 4.826 -4.158 462 HD11 ILE 65 1HD1 ILE 65 -1.300 5.849 -2.754 463 HD12 ILE 65 2HD1 ILE 65 -2.856 6.364 -3.407 464 HD13 ILE 65 3HD1 ILE 65 -2.797 5.331 -1.979 465 H GLU 66 H GLU 66 -5.032 1.037 -5.711 466 HA GLU 66 HA GLU 66 -6.994 2.338 -7.485 467 HB2 GLU 66 1HB GLU 66 -6.261 -0.592 -7.345 468 HB3 GLU 66 2HB GLU 66 -7.522 0.092 -8.362 469 HG2 GLU 66 1HG GLU 66 -4.653 0.947 -8.561 470 HG3 GLU 66 2HG GLU 66 -5.307 -0.415 -9.469 471 H GLN 67 H GLN 67 -8.988 2.545 -6.709 472 HA GLN 67 HA GLN 67 -9.794 0.839 -4.447 473 HB2 GLN 67 1HB GLN 67 -9.269 3.259 -3.871 474 HB3 GLN 67 2HB GLN 67 -10.679 3.696 -4.828 475 HG2 GLN 67 1HG GLN 67 -11.818 1.891 -3.244 476 HG3 GLN 67 2HG GLN 67 -10.508 2.395 -2.178 477 HE21 GLN 67 1HE2 GLN 67 -13.605 2.870 -2.637 478 HE22 GLN 67 2HE2 GLN 67 -13.764 4.542 -2.235 479 H LYS 68 H LYS 68 -11.153 -0.577 -5.380 480 HA LYS 68 HA LYS 68 -13.361 0.522 -6.995 481 HB2 LYS 68 1HB LYS 68 -11.695 -0.987 -8.189 482 HB3 LYS 68 2HB LYS 68 -12.305 -2.298 -7.187 483 HG2 LYS 68 1HG LYS 68 -13.488 -2.498 -9.180 484 HG3 LYS 68 2HG LYS 68 -14.612 -1.677 -8.095 485 HD2 LYS 68 1HD LYS 68 -14.351 0.367 -9.171 486 HD3 LYS 68 2HD LYS 68 -12.806 -0.097 -9.888 487 HE2 LYS 68 1HE LYS 68 -14.173 -0.261 -11.717 488 HE3 LYS 68 2HE LYS 68 -14.283 -1.907 -11.094 489 HZ1 LYS 68 1HZ LYS 68 -16.428 -1.645 -10.552 490 HZ2 LYS 68 2HZ LYS 68 -16.396 -0.371 -11.665 491 HZ3 LYS 68 3HZ LYS 68 -16.226 -0.054 -10.012 492 H GLY 69 H GLY 69 -14.595 0.835 -5.067 493 HA2 GLY 69 1HA GLY 69 -16.182 0.226 -3.525 494 HA3 GLY 69 2HA GLY 69 -16.373 -1.240 -4.475 495 H LEU 70 H LEU 70 -16.159 -3.009 -3.295 496 HA LEU 70 HA LEU 70 -14.718 -2.942 -0.786 497 HB2 LEU 70 1HB LEU 70 -15.456 -5.493 -0.966 498 HB3 LEU 70 2HB LEU 70 -16.547 -4.216 -0.432 499 HG LEU 70 HG LEU 70 -16.508 -4.853 -3.330 500 HD11 LEU 70 1HD1 LEU 70 -16.496 -7.075 -2.435 501 HD12 LEU 70 2HD1 LEU 70 -18.137 -6.689 -2.950 502 HD13 LEU 70 3HD1 LEU 70 -17.718 -6.650 -1.237 503 HD21 LEU 70 1HD2 LEU 70 -17.934 -3.127 -1.949 504 HD22 LEU 70 2HD2 LEU 70 -18.934 -4.545 -1.633 505 HD23 LEU 70 3HD2 LEU 70 -18.641 -4.024 -3.293 506 H GLN 71 H GLN 71 -13.128 -2.606 -3.150 507 HA GLN 71 HA GLN 71 -11.274 -4.820 -2.730 508 HB2 GLN 71 1HB GLN 71 -12.749 -5.223 -4.792 509 HB3 GLN 71 2HB GLN 71 -11.876 -3.885 -5.528 510 HG2 GLN 71 1HG GLN 71 -9.778 -5.078 -5.255 511 HG3 GLN 71 2HG GLN 71 -10.625 -6.409 -4.467 512 HE21 GLN 71 1HE2 GLN 71 -10.544 -4.550 -7.475 513 HE22 GLN 71 2HE2 GLN 71 -10.962 -5.870 -8.508 514 H HIS 72 H HIS 72 -9.626 -3.707 -1.875 515 HA HIS 72 HA HIS 72 -8.709 -1.291 -3.290 516 HB2 HIS 72 1HB HIS 72 -8.238 -2.025 -0.394 517 HB3 HIS 72 2HB HIS 72 -7.750 -0.529 -1.185 518 HD2 HIS 72 2HD HIS 72 -11.201 -2.307 -0.383 519 HE1 HIS 72 1HE HIS 72 -11.688 1.906 -0.258 520 HE2 HIS 72 2HE HIS 72 -12.778 -0.327 0.152 521 H ARG 73 H ARG 73 -6.787 -1.376 -4.249 522 HA ARG 73 HA ARG 73 -4.867 -3.430 -3.371 523 HB2 ARG 73 1HB ARG 73 -6.057 -4.001 -5.525 524 HB3 ARG 73 2HB ARG 73 -5.283 -2.593 -6.241 525 HG2 ARG 73 1HG ARG 73 -3.082 -3.578 -5.716 526 HG3 ARG 73 2HG ARG 73 -3.903 -5.015 -5.104 527 HD2 ARG 73 1HD ARG 73 -4.584 -5.683 -7.198 528 HD3 ARG 73 2HD ARG 73 -4.531 -4.047 -7.852 529 HE ARG 73 HE ARG 73 -1.926 -4.852 -7.181 530 HH11 ARG 73 2HH1 ARG 73 -4.439 -5.547 -9.488 531 HH12 ARG 73 1HH1 ARG 73 -3.340 -6.046 -10.731 532 HH21 ARG 73 2HH2 ARG 73 -0.469 -5.507 -8.810 533 HH22 ARG 73 1HH2 ARG 73 -1.083 -6.024 -10.344 534 H LEU 74 H LEU 74 -2.710 -2.866 -3.393 535 HA LEU 74 HA LEU 74 -1.987 -0.187 -4.321 536 HB2 LEU 74 1HB LEU 74 -2.431 0.297 -2.077 537 HB3 LEU 74 2HB LEU 74 -1.735 -1.223 -1.520 538 HG LEU 74 HG LEU 74 0.510 -0.372 -2.088 539 HD11 LEU 74 1HD1 LEU 74 -0.825 2.284 -2.552 540 HD12 LEU 74 2HD1 LEU 74 -0.317 1.209 -3.855 541 HD13 LEU 74 3HD1 LEU 74 0.880 1.877 -2.745 542 HD21 LEU 74 1HD2 LEU 74 0.451 1.536 -0.339 543 HD22 LEU 74 2HD2 LEU 74 0.019 -0.100 0.159 544 HD23 LEU 74 3HD2 LEU 74 -1.246 1.089 -0.155 545 H ILE 75 H ILE 75 -0.490 -0.675 -5.799 546 HA ILE 75 HA ILE 75 1.480 -2.765 -5.208 547 HB ILE 75 HB ILE 75 1.108 -1.331 -7.833 548 HG12 ILE 75 1HG1 ILE 75 -0.012 -3.710 -8.316 549 HG13 ILE 75 2HG1 ILE 75 -0.412 -3.578 -6.607 550 HG21 ILE 75 1HG2 ILE 75 3.239 -2.600 -7.318 551 HG22 ILE 75 2HG2 ILE 75 2.253 -4.062 -7.323 552 HG23 ILE 75 3HG2 ILE 75 2.378 -3.077 -8.781 553 HD11 ILE 75 1HD1 ILE 75 -2.153 -2.753 -8.214 554 HD12 ILE 75 2HD1 ILE 75 -1.665 -1.608 -6.964 555 HD13 ILE 75 3HD1 ILE 75 -1.052 -1.434 -8.609 556 H LEU 76 H LEU 76 3.571 -2.326 -4.844 557 HA LEU 76 HA LEU 76 4.469 0.458 -5.198 558 HB2 LEU 76 1HB LEU 76 5.442 -1.494 -3.122 559 HB3 LEU 76 2HB LEU 76 5.874 0.208 -3.264 560 HG LEU 76 HG LEU 76 3.048 -0.660 -2.729 561 HD11 LEU 76 1HD1 LEU 76 3.565 -1.322 -0.681 562 HD12 LEU 76 2HD1 LEU 76 4.280 0.256 -0.352 563 HD13 LEU 76 3HD1 LEU 76 5.277 -1.044 -1.005 564 HD21 LEU 76 1HD2 LEU 76 3.600 1.674 -3.489 565 HD22 LEU 76 2HD2 LEU 76 4.498 1.872 -1.984 566 HD23 LEU 76 3HD2 LEU 76 2.762 1.561 -1.941 567 H HIS 77 H HIS 77 5.524 0.302 -7.121 568 HA HIS 77 HA HIS 77 7.316 -1.895 -7.676 569 HB2 HIS 77 1HB HIS 77 7.252 0.590 -9.338 570 HB3 HIS 77 2HB HIS 77 7.430 -1.088 -9.842 571 HD1 HIS 77 1HD HIS 77 5.365 -2.252 -10.634 572 HD2 HIS 77 2HD HIS 77 4.517 1.283 -8.623 573 HE1 HIS 77 1HE HIS 77 2.895 -1.886 -10.931 574 HE2 HIS 77 2HE HIS 77 2.421 0.303 -9.778 575 H ALA 78 H ALA 78 9.521 -1.864 -7.676 576 HA ALA 78 HA ALA 78 11.661 -1.140 -7.319 577 HB1 ALA 78 1HB ALA 78 12.132 0.900 -8.070 578 HB2 ALA 78 2HB ALA 78 10.396 1.144 -8.269 579 HB3 ALA 78 3HB ALA 78 11.195 1.662 -6.784 580 H VAL 79 H VAL 79 10.480 -2.293 -5.258 581 HA VAL 79 HA VAL 79 10.428 -0.629 -2.910 582 HB VAL 79 HB VAL 79 10.086 -2.734 -1.674 583 HG11 VAL 79 1HG1 VAL 79 7.925 -2.547 -2.157 584 HG12 VAL 79 2HG1 VAL 79 8.370 -1.540 -3.536 585 HG13 VAL 79 3HG1 VAL 79 8.167 -3.280 -3.743 586 HG21 VAL 79 1HG2 VAL 79 10.851 -3.898 -4.299 587 HG22 VAL 79 2HG2 VAL 79 11.247 -4.434 -2.666 588 HG23 VAL 79 3HG2 VAL 79 9.644 -4.747 -3.333 589 H LYS 80 H LYS 80 12.106 -0.087 -1.692 590 HA LYS 80 HA LYS 80 14.723 -1.153 -2.249 591 HB2 LYS 80 1HB LYS 80 13.755 0.881 -0.235 592 HB3 LYS 80 2HB LYS 80 15.445 0.449 -0.459 593 HG2 LYS 80 1HG LYS 80 15.195 2.396 -1.698 594 HG3 LYS 80 2HG LYS 80 15.092 1.115 -2.907 595 HD2 LYS 80 1HD LYS 80 12.691 1.279 -2.952 596 HD3 LYS 80 2HD LYS 80 12.705 2.427 -1.611 597 HE2 LYS 80 1HE LYS 80 12.383 3.636 -3.661 598 HE3 LYS 80 2HE LYS 80 13.993 3.996 -3.039 599 HZ1 LYS 80 1HZ LYS 80 13.215 2.478 -5.415 600 HZ2 LYS 80 2HZ LYS 80 14.618 1.999 -4.602 601 HZ3 LYS 80 3HZ LYS 80 14.485 3.574 -5.203 602 H HIS 81 H HIS 81 16.015 -2.376 -0.906 603 HA HIS 81 HA HIS 81 14.705 -4.225 0.795 604 HB2 HIS 81 1HB HIS 81 16.665 -4.942 -0.382 605 HB3 HIS 81 2HB HIS 81 17.630 -3.643 0.313 606 HD1 HIS 81 1HD HIS 81 15.803 -6.776 1.436 607 HD2 HIS 81 2HD HIS 81 18.969 -4.339 2.573 608 HE1 HIS 81 1HE HIS 81 16.879 -7.939 3.389 609 HE2 HIS 81 2HE HIS 81 18.739 -6.404 4.113 610 H GLN 82 H GLN 82 16.170 -1.150 1.330 611 HA GLN 82 HA GLN 82 16.886 -1.352 4.023 612 HB2 GLN 82 1HB GLN 82 16.855 1.040 4.075 613 HB3 GLN 82 2HB GLN 82 17.429 0.551 2.486 614 HG2 GLN 82 1HG GLN 82 15.244 0.993 1.534 615 HG3 GLN 82 2HG GLN 82 14.620 1.422 3.126 616 HE21 GLN 82 1HE2 GLN 82 14.102 3.357 1.685 617 HE22 GLN 82 2HE2 GLN 82 15.263 4.636 1.692 618 H ASP 83 H ASP 83 13.805 -1.343 2.548 619 HA ASP 83 HA ASP 83 12.462 -0.619 5.049 620 HB2 ASP 83 1HB ASP 83 11.656 -0.689 2.183 621 HB3 ASP 83 2HB ASP 83 10.406 -0.984 3.388 622 H SER 84 H SER 84 13.853 -3.258 4.111 623 HA SER 84 HA SER 84 12.260 -5.378 3.751 624 HB2 SER 84 1HB SER 84 13.761 -6.702 5.211 625 HB3 SER 84 2HB SER 84 14.658 -5.610 4.155 626 HG SER 84 HG SER 84 13.931 -4.831 6.765 627 H GLY 85 H GLY 85 10.552 -6.317 4.676 628 HA2 GLY 85 1HA GLY 85 8.993 -6.916 6.264 629 HA3 GLY 85 2HA GLY 85 10.104 -6.333 7.495 630 H ALA 86 H ALA 86 8.504 -4.653 4.800 631 HA ALA 86 HA ALA 86 7.914 -2.371 6.377 632 HB1 ALA 86 1HB ALA 86 7.835 -3.052 3.648 633 HB2 ALA 86 2HB ALA 86 6.212 -2.515 4.083 634 HB3 ALA 86 3HB ALA 86 7.597 -1.464 4.379 635 H LEU 87 H LEU 87 5.640 -1.495 6.559 636 HA LEU 87 HA LEU 87 3.763 -3.649 7.277 637 HB2 LEU 87 1HB LEU 87 4.969 -2.187 9.123 638 HB3 LEU 87 2HB LEU 87 3.688 -1.047 8.715 639 HG LEU 87 HG LEU 87 2.929 -2.246 10.597 640 HD11 LEU 87 1HD1 LEU 87 1.696 -3.500 8.148 641 HD12 LEU 87 2HD1 LEU 87 1.243 -1.953 8.863 642 HD13 LEU 87 3HD1 LEU 87 0.977 -3.449 9.758 643 HD21 LEU 87 1HD2 LEU 87 2.803 -4.936 9.883 644 HD22 LEU 87 2HD2 LEU 87 3.874 -4.200 11.075 645 HD23 LEU 87 3HD2 LEU 87 4.419 -4.412 9.411 646 H VAL 88 H VAL 88 2.510 -3.533 5.451 647 HA VAL 88 HA VAL 88 1.251 -0.939 4.854 648 HB VAL 88 HB VAL 88 1.278 -3.362 3.058 649 HG11 VAL 88 1HG1 VAL 88 0.514 -0.479 2.713 650 HG12 VAL 88 2HG1 VAL 88 0.900 -1.512 1.335 651 HG13 VAL 88 3HG1 VAL 88 -0.448 -1.923 2.396 652 HG21 VAL 88 1HG2 VAL 88 3.490 -2.971 2.894 653 HG22 VAL 88 2HG2 VAL 88 2.985 -1.625 1.872 654 HG23 VAL 88 3HG2 VAL 88 3.360 -1.349 3.573 655 H GLY 89 H GLY 89 -0.750 -0.689 5.583 656 HA2 GLY 89 1HA GLY 89 -2.570 -3.000 5.529 657 HA3 GLY 89 2HA GLY 89 -2.397 -2.077 7.015 658 H PHE 90 H PHE 90 -4.807 -2.480 5.507 659 HA PHE 90 HA PHE 90 -5.321 0.172 4.370 660 HB2 PHE 90 1HB PHE 90 -6.105 -1.435 2.867 661 HB3 PHE 90 2HB PHE 90 -6.700 -2.484 4.149 662 HD1 PHE 90 2HD PHE 90 -7.354 0.631 2.289 663 HD2 PHE 90 1HD PHE 90 -8.899 -2.279 4.984 664 HE1 PHE 90 2HE PHE 90 -9.610 1.571 2.005 665 HE2 PHE 90 1HE PHE 90 -11.158 -1.344 4.703 666 HZ PHE 90 HZ PHE 90 -11.516 0.584 3.213 667 H SER 91 H SER 91 -5.866 1.602 5.895 668 HA SER 91 HA SER 91 -7.467 0.775 8.182 669 HB2 SER 91 1HB SER 91 -7.027 3.053 9.030 670 HB3 SER 91 2HB SER 91 -5.534 2.222 8.594 671 HG SER 91 HG SER 91 -5.581 3.378 6.608 672 H CYS 92 H CYS 92 -9.586 1.107 8.364 673 HA CYS 92 HA CYS 92 -10.887 3.232 6.867 674 HB2 CYS 92 1HB CYS 92 -12.200 1.944 5.508 675 HB3 CYS 92 2HB CYS 92 -10.799 0.884 5.603 676 HG CYS 92 HG CYS 92 -13.554 0.551 7.604 677 HA PRO 93 HA PRO 93 -13.469 3.491 10.402 678 HB2 PRO 93 1HB PRO 93 -15.824 4.298 9.317 679 HB3 PRO 93 2HB PRO 93 -14.413 5.355 9.444 680 HG2 PRO 93 1HG PRO 93 -15.409 3.800 7.088 681 HG3 PRO 93 2HG PRO 93 -14.795 5.462 7.153 682 HD2 PRO 93 1HD PRO 93 -13.280 3.382 6.310 683 HD3 PRO 93 2HD PRO 93 -12.592 4.783 7.157 684 H GLY 94 H GLY 94 -13.371 1.102 10.674 685 HA2 GLY 94 1HA GLY 94 -15.494 -0.167 11.514 686 HA3 GLY 94 2HA GLY 94 -15.787 -0.305 9.787 687 H VAL 95 H VAL 95 -12.715 -0.427 9.526 688 HA VAL 95 HA VAL 95 -12.260 -3.134 10.543 689 HB VAL 95 HB VAL 95 -12.033 -2.344 7.639 690 HG11 VAL 95 1HG1 VAL 95 -11.042 -4.505 7.219 691 HG12 VAL 95 2HG1 VAL 95 -10.058 -3.628 8.392 692 HG13 VAL 95 3HG1 VAL 95 -11.134 -4.917 8.931 693 HG21 VAL 95 1HG2 VAL 95 -13.897 -3.528 7.281 694 HG22 VAL 95 2HG2 VAL 95 -13.380 -4.834 8.348 695 HG23 VAL 95 3HG2 VAL 95 -14.157 -3.401 9.021 696 H GLN 96 H GLN 96 -10.092 -3.688 10.812 697 HA GLN 96 HA GLN 96 -8.062 -1.720 10.092 698 HB2 GLN 96 1HB GLN 96 -8.427 -2.695 12.929 699 HB3 GLN 96 2HB GLN 96 -7.159 -1.620 12.355 700 HG2 GLN 96 1HG GLN 96 -8.861 0.055 11.784 701 HG3 GLN 96 2HG GLN 96 -10.107 -1.019 12.419 702 HE21 GLN 96 1HE2 GLN 96 -10.229 1.246 13.574 703 HE22 GLN 96 2HE2 GLN 96 -9.468 1.286 15.125 704 H ASP 97 H ASP 97 -6.764 -2.964 8.897 705 HA ASP 97 HA ASP 97 -5.532 -5.282 10.164 706 HB2 ASP 97 1HB ASP 97 -7.593 -5.865 8.610 707 HB3 ASP 97 2HB ASP 97 -6.407 -5.632 7.329 708 H SER 98 H SER 98 -3.554 -5.955 9.121 709 HA SER 98 HA SER 98 -2.456 -4.307 7.020 710 HB2 SER 98 1HB SER 98 -0.585 -3.435 8.305 711 HB3 SER 98 2HB SER 98 -2.096 -2.924 9.056 712 HG SER 98 HG SER 98 -0.435 -5.075 9.878 713 H ALA 99 H ALA 99 -0.490 -5.127 6.168 714 HA ALA 99 HA ALA 99 0.146 -7.863 7.063 715 HB1 ALA 99 1HB ALA 99 0.378 -6.851 4.236 716 HB2 ALA 99 2HB ALA 99 0.526 -8.515 4.805 717 HB3 ALA 99 3HB ALA 99 -1.037 -7.700 4.859 718 H ALA 100 H ALA 100 2.380 -8.538 6.072 719 HA ALA 100 HA ALA 100 4.276 -6.364 6.673 720 HB1 ALA 100 1HB ALA 100 4.498 -7.994 8.360 721 HB2 ALA 100 2HB ALA 100 4.444 -9.319 7.197 722 HB3 ALA 100 3HB ALA 100 5.852 -8.260 7.262 723 H LEU 101 H LEU 101 5.586 -5.729 5.092 724 HA LEU 101 HA LEU 101 5.651 -7.262 2.612 725 HB2 LEU 101 1HB LEU 101 5.385 -4.614 3.059 726 HB3 LEU 101 2HB LEU 101 7.126 -4.718 2.806 727 HG LEU 101 HG LEU 101 4.930 -5.423 0.871 728 HD11 LEU 101 1HD1 LEU 101 5.364 -3.121 0.794 729 HD12 LEU 101 2HD1 LEU 101 6.303 -3.803 -0.534 730 HD13 LEU 101 3HD1 LEU 101 7.103 -3.354 0.972 731 HD21 LEU 101 1HD2 LEU 101 6.283 -6.741 -0.312 732 HD22 LEU 101 2HD2 LEU 101 7.292 -6.826 1.132 733 HD23 LEU 101 3HD2 LEU 101 7.650 -5.643 -0.127 734 H THR 102 H THR 102 7.197 -8.727 2.380 735 HA THR 102 HA THR 102 9.703 -8.472 3.838 736 HB THR 102 HB THR 102 8.610 -10.701 2.115 737 HG1 THR 102 1HG THR 102 8.604 -11.749 4.233 738 HG21 THR 102 1HG2 THR 102 10.514 -12.029 2.879 739 HG22 THR 102 2HG2 THR 102 11.163 -10.626 3.729 740 HG23 THR 102 3HG2 THR 102 11.058 -10.621 1.969 741 H ILE 103 H ILE 103 11.644 -8.019 2.954 742 HA ILE 103 HA ILE 103 11.906 -7.958 0.039 743 HB ILE 103 HB ILE 103 12.913 -5.655 1.689 744 HG12 ILE 103 1HG1 ILE 103 10.357 -5.630 0.085 745 HG13 ILE 103 2HG1 ILE 103 10.384 -5.930 1.820 746 HG21 ILE 103 1HG2 ILE 103 12.583 -6.231 -1.232 747 HG22 ILE 103 2HG2 ILE 103 12.699 -4.575 -0.638 748 HG23 ILE 103 3HG2 ILE 103 14.021 -5.707 -0.357 749 HD11 ILE 103 1HD1 ILE 103 9.891 -3.567 1.062 750 HD12 ILE 103 2HD1 ILE 103 11.145 -3.763 2.286 751 HD13 ILE 103 3HD1 ILE 103 11.592 -3.470 0.606 752 H GLN 104 H GLN 104 13.559 -9.259 -0.381 753 HA GLN 104 HA GLN 104 15.862 -9.253 1.451 754 HB2 GLN 104 1HB GLN 104 15.137 -11.397 -0.547 755 HB3 GLN 104 2HB GLN 104 16.350 -11.491 0.723 756 HG2 GLN 104 1HG GLN 104 13.511 -10.989 1.465 757 HG3 GLN 104 2HG GLN 104 14.013 -12.617 1.013 758 HE21 GLN 104 1HE2 GLN 104 13.640 -10.527 3.532 759 HE22 GLN 104 2HE2 GLN 104 14.685 -11.278 4.684 760 H GLU 105 H GLU 105 17.907 -8.925 0.681 761 HA GLU 105 HA GLU 105 18.274 -7.346 -1.580 762 HB2 GLU 105 1HB GLU 105 20.089 -8.863 0.232 763 HB3 GLU 105 2HB GLU 105 20.753 -8.254 -1.277 764 HG2 GLU 105 1HG GLU 105 19.941 -5.990 -0.645 765 HG3 GLU 105 2HG GLU 105 19.473 -6.650 0.921 766 H SER 106 H SER 106 19.649 -7.848 -3.480 767 HA SER 106 HA SER 106 18.892 -10.464 -4.583 768 HB2 SER 106 1HB SER 106 18.019 -8.743 -5.956 769 HB3 SER 106 2HB SER 106 19.514 -7.810 -5.876 770 HG SER 106 HG SER 106 18.822 -9.890 -7.530 771 H SER 107 H SER 107 20.407 -11.955 -4.819 772 HA SER 107 HA SER 107 23.076 -11.630 -4.111 773 HB2 SER 107 1HB SER 107 21.680 -13.796 -4.414 774 HB3 SER 107 2HB SER 107 22.217 -13.725 -6.092 775 HG SER 107 HG SER 107 23.523 -14.849 -4.250 776 H GLY 108 H GLY 108 25.007 -11.874 -5.472 777 HA2 GLY 108 1HA GLY 108 25.425 -11.740 -8.086 778 HA3 GLY 108 2HA GLY 108 24.800 -10.123 -7.797 779 HA PRO 109 HA PRO 109 29.354 -9.805 -7.346 780 HB2 PRO 109 1HB PRO 109 29.498 -7.320 -8.429 781 HB3 PRO 109 2HB PRO 109 29.486 -8.794 -9.404 782 HG2 PRO 109 1HG PRO 109 27.238 -6.921 -8.773 783 HG3 PRO 109 2HG PRO 109 27.655 -7.688 -10.317 784 HD2 PRO 109 1HD PRO 109 25.679 -8.617 -8.715 785 HD3 PRO 109 2HD PRO 109 26.663 -9.686 -9.736 786 H SER 110 H SER 110 30.582 -7.733 -6.498 787 HA SER 110 HA SER 110 29.053 -6.137 -4.634 788 HB2 SER 110 1HB SER 110 30.898 -8.334 -3.729 789 HB3 SER 110 2HB SER 110 30.635 -6.906 -2.728 790 HG SER 110 HG SER 110 28.514 -8.480 -3.749 791 H SER 111 H SER 111 29.872 -4.168 -4.783 792 HA SER 111 HA SER 111 32.650 -3.832 -5.637 793 HB2 SER 111 1HB SER 111 30.740 -2.656 -6.823 794 HB3 SER 111 2HB SER 111 30.549 -1.676 -5.369 795 HG SER 111 HG SER 111 32.180 -0.525 -5.995 796 H GLY 112 H GLY 112 34.032 -2.284 -4.588 797 HA2 GLY 112 1HA GLY 112 33.826 -2.438 -1.717 798 HA3 GLY 112 2HA GLY 112 35.142 -1.720 -2.634 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -32.852 -1.099 12.331 2 HA2 GLY 1 1HA GLY 1 -33.430 -1.824 9.602 3 HA3 GLY 1 2HA GLY 1 -34.839 -1.251 10.482 4 H SER 2 H SER 2 -31.417 -0.260 10.306 5 HA SER 2 HA SER 2 -32.360 2.477 9.747 6 HB2 SER 2 1HB SER 2 -30.412 3.323 10.948 7 HB3 SER 2 2HB SER 2 -31.336 2.244 11.993 8 HG SER 2 HG SER 2 -29.650 1.012 12.127 9 H SER 3 H SER 3 -31.759 3.297 7.860 10 HA SER 3 HA SER 3 -30.380 1.931 5.903 11 HB2 SER 3 1HB SER 3 -31.808 4.114 5.777 12 HB3 SER 3 2HB SER 3 -30.261 4.931 6.003 13 HG SER 3 HG SER 3 -30.767 3.003 3.984 14 H GLY 4 H GLY 4 -29.112 4.495 8.031 15 HA2 GLY 4 1HA GLY 4 -26.849 3.883 8.980 16 HA3 GLY 4 2HA GLY 4 -26.391 3.605 7.306 17 H SER 5 H SER 5 -25.634 5.590 9.553 18 HA SER 5 HA SER 5 -26.112 8.098 8.117 19 HB2 SER 5 1HB SER 5 -26.522 7.874 10.626 20 HB3 SER 5 2HB SER 5 -24.769 7.795 10.804 21 HG SER 5 HG SER 5 -24.621 9.862 10.364 22 H SER 6 H SER 6 -23.367 6.596 9.834 23 HA SER 6 HA SER 6 -21.511 8.038 8.119 24 HB2 SER 6 1HB SER 6 -20.948 8.023 10.456 25 HB3 SER 6 2HB SER 6 -21.099 6.268 10.537 26 HG SER 6 HG SER 6 -19.295 7.299 8.687 27 H GLY 7 H GLY 7 -20.187 7.131 6.612 28 HA2 GLY 7 1HA GLY 7 -20.984 4.669 5.444 29 HA3 GLY 7 2HA GLY 7 -19.581 5.623 4.986 30 H THR 8 H THR 8 -20.532 2.699 6.145 31 HA THR 8 HA THR 8 -17.828 2.107 7.082 32 HB THR 8 HB THR 8 -18.703 0.764 8.978 33 HG1 THR 8 1HG THR 8 -20.787 0.434 9.001 34 HG21 THR 8 1HG2 THR 8 -19.728 3.538 9.395 35 HG22 THR 8 2HG2 THR 8 -18.018 3.298 9.037 36 HG23 THR 8 3HG2 THR 8 -18.738 2.535 10.454 37 H ALA 9 H ALA 9 -17.373 -0.217 7.147 38 HA ALA 9 HA ALA 9 -19.231 -1.955 5.741 39 HB1 ALA 9 1HB ALA 9 -16.465 -1.509 4.631 40 HB2 ALA 9 2HB ALA 9 -17.736 -2.534 3.963 41 HB3 ALA 9 3HB ALA 9 -17.929 -0.781 3.970 42 H ARG 10 H ARG 10 -18.134 -4.198 5.443 43 HA ARG 10 HA ARG 10 -16.675 -4.795 7.931 44 HB2 ARG 10 1HB ARG 10 -18.809 -6.261 6.435 45 HB3 ARG 10 2HB ARG 10 -17.644 -7.183 7.376 46 HG2 ARG 10 1HG ARG 10 -19.010 -4.890 8.681 47 HG3 ARG 10 2HG ARG 10 -19.921 -6.377 8.411 48 HD2 ARG 10 1HD ARG 10 -17.208 -6.590 9.607 49 HD3 ARG 10 2HD ARG 10 -18.515 -5.976 10.619 50 HE ARG 10 HE ARG 10 -19.519 -8.253 9.483 51 HH11 ARG 10 2HH1 ARG 10 -16.738 -7.466 11.424 52 HH12 ARG 10 1HH1 ARG 10 -16.665 -9.022 12.183 53 HH21 ARG 10 2HH2 ARG 10 -19.433 -10.306 10.474 54 HH22 ARG 10 1HH2 ARG 10 -18.198 -10.637 11.641 55 H LEU 11 H LEU 11 -15.026 -6.382 7.881 56 HA LEU 11 HA LEU 11 -13.532 -6.387 5.411 57 HB2 LEU 11 1HB LEU 11 -12.425 -6.041 7.570 58 HB3 LEU 11 2HB LEU 11 -12.920 -7.655 8.078 59 HG LEU 11 HG LEU 11 -11.449 -8.680 6.499 60 HD11 LEU 11 1HD1 LEU 11 -10.819 -5.907 5.500 61 HD12 LEU 11 2HD1 LEU 11 -11.787 -7.111 4.651 62 HD13 LEU 11 3HD1 LEU 11 -10.075 -7.409 4.950 63 HD21 LEU 11 1HD2 LEU 11 -10.222 -6.440 8.080 64 HD22 LEU 11 2HD2 LEU 11 -9.242 -7.594 7.175 65 HD23 LEU 11 3HD2 LEU 11 -10.295 -8.158 8.473 66 H VAL 12 H VAL 12 -13.819 -7.858 3.883 67 HA VAL 12 HA VAL 12 -15.027 -10.432 4.557 68 HB VAL 12 HB VAL 12 -14.489 -9.150 1.875 69 HG11 VAL 12 1HG1 VAL 12 -14.475 -11.325 1.228 70 HG12 VAL 12 2HG1 VAL 12 -15.379 -11.867 2.644 71 HG13 VAL 12 3HG1 VAL 12 -16.222 -11.096 1.300 72 HG21 VAL 12 1HG2 VAL 12 -16.322 -8.256 3.459 73 HG22 VAL 12 2HG2 VAL 12 -16.745 -8.595 1.781 74 HG23 VAL 12 3HG2 VAL 12 -17.181 -9.741 3.050 75 H ALA 13 H ALA 13 -12.027 -9.039 3.494 76 HA ALA 13 HA ALA 13 -10.645 -11.516 3.957 77 HB1 ALA 13 1HB ALA 13 -9.968 -12.080 1.842 78 HB2 ALA 13 2HB ALA 13 -11.595 -11.486 1.509 79 HB3 ALA 13 3HB ALA 13 -10.200 -10.449 1.212 80 H GLY 14 H GLY 14 -8.966 -10.850 5.118 81 HA2 GLY 14 1HA GLY 14 -7.949 -8.171 4.931 82 HA3 GLY 14 2HA GLY 14 -7.332 -9.452 5.965 83 H LEU 15 H LEU 15 -5.600 -7.727 4.725 84 HA LEU 15 HA LEU 15 -4.646 -8.698 2.231 85 HB2 LEU 15 1HB LEU 15 -3.160 -7.111 4.318 86 HB3 LEU 15 2HB LEU 15 -2.723 -7.279 2.619 87 HG LEU 15 HG LEU 15 -5.094 -6.191 2.247 88 HD11 LEU 15 1HD1 LEU 15 -4.537 -5.775 5.110 89 HD12 LEU 15 2HD1 LEU 15 -6.070 -5.803 4.240 90 HD13 LEU 15 3HD1 LEU 15 -5.067 -4.354 4.210 91 HD21 LEU 15 1HD2 LEU 15 -3.970 -4.313 1.666 92 HD22 LEU 15 2HD2 LEU 15 -2.573 -5.351 1.947 93 HD23 LEU 15 3HD2 LEU 15 -3.100 -4.224 3.197 94 H GLU 16 H GLU 16 -2.067 -9.175 2.280 95 HA GLU 16 HA GLU 16 -1.470 -11.170 4.326 96 HB2 GLU 16 1HB GLU 16 -0.841 -12.848 2.629 97 HB3 GLU 16 2HB GLU 16 -2.557 -12.469 2.588 98 HG2 GLU 16 1HG GLU 16 -2.251 -11.078 0.647 99 HG3 GLU 16 2HG GLU 16 -0.504 -11.303 0.722 100 H ASP 17 H ASP 17 0.656 -11.306 4.819 101 HA ASP 17 HA ASP 17 2.415 -9.278 4.170 102 HB2 ASP 17 1HB ASP 17 3.118 -10.394 6.043 103 HB3 ASP 17 2HB ASP 17 2.697 -11.975 5.389 104 H VAL 18 H VAL 18 4.279 -9.169 2.853 105 HA VAL 18 HA VAL 18 4.621 -11.196 0.789 106 HB VAL 18 HB VAL 18 4.029 -8.312 0.113 107 HG11 VAL 18 1HG1 VAL 18 4.802 -10.621 -1.666 108 HG12 VAL 18 2HG1 VAL 18 4.264 -9.037 -2.229 109 HG13 VAL 18 3HG1 VAL 18 5.771 -9.189 -1.325 110 HG21 VAL 18 1HG2 VAL 18 2.487 -10.865 -0.251 111 HG22 VAL 18 2HG2 VAL 18 1.970 -9.369 0.528 112 HG23 VAL 18 3HG2 VAL 18 2.167 -9.428 -1.223 113 H GLN 19 H GLN 19 6.649 -11.160 -0.205 114 HA GLN 19 HA GLN 19 8.554 -9.123 0.676 115 HB2 GLN 19 1HB GLN 19 10.075 -10.599 1.619 116 HB3 GLN 19 2HB GLN 19 8.537 -11.249 2.169 117 HG2 GLN 19 1HG GLN 19 8.658 -12.782 0.132 118 HG3 GLN 19 2HG GLN 19 10.349 -12.294 0.025 119 HE21 GLN 19 1HE2 GLN 19 11.723 -12.742 1.842 120 HE22 GLN 19 2HE2 GLN 19 11.379 -14.086 2.872 121 H VAL 20 H VAL 20 9.850 -8.476 -0.922 122 HA VAL 20 HA VAL 20 10.382 -10.287 -3.165 123 HB VAL 20 HB VAL 20 9.955 -8.524 -4.805 124 HG11 VAL 20 1HG1 VAL 20 8.061 -10.022 -3.444 125 HG12 VAL 20 2HG1 VAL 20 7.361 -8.405 -3.522 126 HG13 VAL 20 3HG1 VAL 20 7.851 -9.227 -5.004 127 HG21 VAL 20 1HG2 VAL 20 8.611 -6.518 -3.993 128 HG22 VAL 20 2HG2 VAL 20 9.173 -6.936 -2.375 129 HG23 VAL 20 3HG2 VAL 20 10.337 -6.520 -3.633 130 H TYR 21 H TYR 21 12.245 -9.730 -4.412 131 HA TYR 21 HA TYR 21 14.377 -8.698 -2.841 132 HB2 TYR 21 1HB TYR 21 14.108 -9.718 -5.643 133 HB3 TYR 21 2HB TYR 21 15.575 -8.866 -5.176 134 HD1 TYR 21 1HD TYR 21 13.370 -11.562 -3.802 135 HD2 TYR 21 2HD TYR 21 17.335 -10.176 -4.484 136 HE1 TYR 21 1HE TYR 21 14.257 -13.638 -2.826 137 HE2 TYR 21 2HE TYR 21 18.233 -12.249 -3.511 138 HH TYR 21 HH TYR 21 16.082 -14.855 -2.433 139 H ASP 22 H ASP 22 15.849 -6.966 -3.567 140 HA ASP 22 HA ASP 22 14.601 -4.504 -3.734 141 HB2 ASP 22 1HB ASP 22 16.742 -3.553 -4.022 142 HB3 ASP 22 2HB ASP 22 17.026 -5.033 -3.110 143 H GLY 23 H GLY 23 14.122 -3.070 -5.371 144 HA2 GLY 23 1HA GLY 23 13.855 -2.300 -7.548 145 HA3 GLY 23 2HA GLY 23 14.737 -3.706 -8.124 146 H GLU 24 H GLU 24 12.966 -5.548 -6.627 147 HA GLU 24 HA GLU 24 11.143 -6.135 -8.662 148 HB2 GLU 24 1HB GLU 24 11.066 -6.961 -5.755 149 HB3 GLU 24 2HB GLU 24 10.121 -7.698 -7.040 150 HG2 GLU 24 1HG GLU 24 13.114 -7.715 -6.756 151 HG3 GLU 24 2HG GLU 24 12.016 -9.080 -6.564 152 H ASP 25 H ASP 25 8.700 -6.438 -8.104 153 HA ASP 25 HA ASP 25 7.715 -3.868 -7.051 154 HB2 ASP 25 1HB ASP 25 5.685 -4.470 -8.581 155 HB3 ASP 25 2HB ASP 25 7.143 -3.789 -9.299 156 H ALA 26 H ALA 26 6.188 -3.880 -5.499 157 HA ALA 26 HA ALA 26 5.376 -6.491 -4.451 158 HB1 ALA 26 1HB ALA 26 5.104 -5.497 -2.375 159 HB2 ALA 26 2HB ALA 26 6.474 -4.615 -3.049 160 HB3 ALA 26 3HB ALA 26 4.867 -3.890 -3.062 161 H VAL 27 H VAL 27 3.196 -6.911 -3.855 162 HA VAL 27 HA VAL 27 1.179 -5.154 -5.068 163 HB VAL 27 HB VAL 27 1.300 -8.151 -5.435 164 HG11 VAL 27 1HG1 VAL 27 -0.683 -6.616 -6.945 165 HG12 VAL 27 2HG1 VAL 27 -0.841 -8.159 -6.102 166 HG13 VAL 27 3HG1 VAL 27 -0.964 -6.645 -5.204 167 HG21 VAL 27 1HG2 VAL 27 1.329 -6.059 -7.589 168 HG22 VAL 27 2HG2 VAL 27 2.814 -6.647 -6.842 169 HG23 VAL 27 3HG2 VAL 27 1.758 -7.766 -7.704 170 H PHE 28 H PHE 28 -0.675 -4.943 -3.924 171 HA PHE 28 HA PHE 28 -1.240 -6.806 -1.748 172 HB2 PHE 28 1HB PHE 28 -0.712 -3.862 -1.418 173 HB3 PHE 28 2HB PHE 28 -1.720 -4.742 -0.275 174 HD1 PHE 28 1HD PHE 28 -0.597 -7.034 0.545 175 HD2 PHE 28 2HD PHE 28 1.497 -3.614 -0.882 176 HE1 PHE 28 1HE PHE 28 1.415 -7.764 1.758 177 HE2 PHE 28 2HE PHE 28 3.513 -4.339 0.328 178 HZ PHE 28 HZ PHE 28 3.474 -6.417 1.649 179 H SER 29 H SER 29 -3.414 -6.632 -0.918 180 HA SER 29 HA SER 29 -5.354 -4.884 -1.965 181 HB2 SER 29 1HB SER 29 -5.398 -5.824 -4.062 182 HB3 SER 29 2HB SER 29 -4.860 -7.401 -3.485 183 HG SER 29 HG SER 29 -7.125 -7.223 -4.178 184 H LEU 30 H LEU 30 -7.620 -5.704 -1.501 185 HA LEU 30 HA LEU 30 -7.835 -7.856 0.411 186 HB2 LEU 30 1HB LEU 30 -8.686 -6.501 2.227 187 HB3 LEU 30 2HB LEU 30 -7.041 -6.021 1.813 188 HG LEU 30 HG LEU 30 -8.368 -4.219 0.360 189 HD11 LEU 30 1HD1 LEU 30 -10.206 -4.863 2.660 190 HD12 LEU 30 2HD1 LEU 30 -10.578 -4.971 0.940 191 HD13 LEU 30 3HD1 LEU 30 -10.291 -3.398 1.682 192 HD21 LEU 30 1HD2 LEU 30 -8.326 -3.347 3.123 193 HD22 LEU 30 2HD2 LEU 30 -7.346 -2.818 1.756 194 HD23 LEU 30 3HD2 LEU 30 -6.867 -4.238 2.688 195 H ASP 31 H ASP 31 -10.137 -8.033 1.229 196 HA ASP 31 HA ASP 31 -12.004 -7.122 -0.863 197 HB2 ASP 31 1HB ASP 31 -12.077 -9.716 0.695 198 HB3 ASP 31 2HB ASP 31 -13.269 -9.204 -0.497 199 H LEU 32 H LEU 32 -14.060 -6.468 -0.240 200 HA LEU 32 HA LEU 32 -14.548 -6.246 2.650 201 HB2 LEU 32 1HB LEU 32 -15.123 -4.060 0.660 202 HB3 LEU 32 2HB LEU 32 -15.319 -3.989 2.410 203 HG LEU 32 HG LEU 32 -12.684 -4.197 0.955 204 HD11 LEU 32 1HD1 LEU 32 -14.376 -1.951 1.547 205 HD12 LEU 32 2HD1 LEU 32 -12.853 -2.005 0.662 206 HD13 LEU 32 3HD1 LEU 32 -12.847 -1.820 2.415 207 HD21 LEU 32 1HD2 LEU 32 -12.166 -5.112 2.976 208 HD22 LEU 32 2HD2 LEU 32 -13.479 -4.285 3.814 209 HD23 LEU 32 3HD2 LEU 32 -12.010 -3.405 3.391 210 H SER 33 H SER 33 -16.769 -6.062 3.258 211 HA SER 33 HA SER 33 -18.498 -7.656 1.634 212 HB2 SER 33 1HB SER 33 -18.401 -7.516 4.215 213 HB3 SER 33 2HB SER 33 -19.400 -6.075 4.033 214 HG SER 33 HG SER 33 -20.178 -8.396 2.687 215 H THR 34 H THR 34 -17.927 -4.287 1.984 216 HA THR 34 HA THR 34 -19.823 -3.690 -0.103 217 HB THR 34 HB THR 34 -21.198 -3.618 2.011 218 HG1 THR 34 1HG THR 34 -22.214 -1.704 1.358 219 HG21 THR 34 1HG2 THR 34 -19.739 -2.747 3.637 220 HG22 THR 34 2HG2 THR 34 -20.876 -1.438 3.315 221 HG23 THR 34 3HG2 THR 34 -19.261 -1.397 2.609 222 H ILE 35 H ILE 35 -19.767 -1.308 -0.650 223 HA ILE 35 HA ILE 35 -17.103 -0.488 -1.027 224 HB ILE 35 HB ILE 35 -19.566 1.247 -1.225 225 HG12 ILE 35 1HG1 ILE 35 -18.328 -0.086 -3.592 226 HG13 ILE 35 2HG1 ILE 35 -19.364 -1.050 -2.544 227 HG21 ILE 35 1HG2 ILE 35 -17.874 2.084 -3.163 228 HG22 ILE 35 2HG2 ILE 35 -17.970 2.797 -1.554 229 HG23 ILE 35 3HG2 ILE 35 -16.730 1.597 -1.913 230 HD11 ILE 35 1HD1 ILE 35 -20.303 0.260 -4.632 231 HD12 ILE 35 2HD1 ILE 35 -21.245 0.063 -3.154 232 HD13 ILE 35 3HD1 ILE 35 -20.389 1.574 -3.460 233 H ILE 36 H ILE 36 -15.937 1.253 -0.162 234 HA ILE 36 HA ILE 36 -16.919 2.861 1.971 235 HB ILE 36 HB ILE 36 -16.585 0.654 3.130 236 HG12 ILE 36 1HG1 ILE 36 -14.652 2.684 4.214 237 HG13 ILE 36 2HG1 ILE 36 -16.375 3.037 4.146 238 HG21 ILE 36 1HG2 ILE 36 -13.645 1.200 2.856 239 HG22 ILE 36 2HG2 ILE 36 -14.443 -0.245 3.475 240 HG23 ILE 36 3HG2 ILE 36 -14.510 0.130 1.753 241 HD11 ILE 36 1HD1 ILE 36 -15.608 2.177 6.332 242 HD12 ILE 36 2HD1 ILE 36 -16.865 1.189 5.586 243 HD13 ILE 36 3HD1 ILE 36 -15.184 0.657 5.545 244 H GLN 37 H GLN 37 -15.271 4.315 2.831 245 HA GLN 37 HA GLN 37 -13.101 4.715 0.888 246 HB2 GLN 37 1HB GLN 37 -14.814 6.570 2.466 247 HB3 GLN 37 2HB GLN 37 -13.167 7.075 2.116 248 HG2 GLN 37 1HG GLN 37 -13.548 6.911 -0.239 249 HG3 GLN 37 2HG GLN 37 -15.136 6.192 0.022 250 HE21 GLN 37 1HE2 GLN 37 -16.846 7.490 0.175 251 HE22 GLN 37 2HE2 GLN 37 -16.784 9.213 0.273 252 H GLY 38 H GLY 38 -11.221 3.946 1.599 253 HA2 GLY 38 1HA GLY 38 -10.519 4.434 4.429 254 HA3 GLY 38 2HA GLY 38 -10.076 2.957 3.585 255 H THR 39 H THR 39 -7.953 3.827 4.543 256 HA THR 39 HA THR 39 -6.580 5.272 2.393 257 HB THR 39 HB THR 39 -6.503 5.991 5.317 258 HG1 THR 39 1HG THR 39 -6.546 8.136 3.974 259 HG21 THR 39 1HG2 THR 39 -4.629 7.573 4.580 260 HG22 THR 39 2HG2 THR 39 -4.442 6.505 3.189 261 HG23 THR 39 3HG2 THR 39 -4.209 5.878 4.820 262 H TRP 40 H TRP 40 -4.386 4.766 2.152 263 HA TRP 40 HA TRP 40 -3.639 2.201 3.326 264 HB2 TRP 40 1HB TRP 40 -2.522 3.796 1.017 265 HB3 TRP 40 2HB TRP 40 -1.776 2.316 1.614 266 HD1 TRP 40 HD TRP 40 -4.635 3.563 -0.517 267 HE1 TRP 40 1HE TRP 40 -5.842 1.555 -1.582 268 HE3 TRP 40 3HE TRP 40 -2.390 -0.213 2.098 269 HZ2 TRP 40 2HZ TRP 40 -5.843 -1.258 -1.345 270 HZ3 TRP 40 3HZ TRP 40 -3.051 -2.534 1.619 271 HH2 TRP 40 HH TRP 40 -4.742 -3.044 -0.067 272 H PHE 41 H PHE 41 -1.656 1.838 4.365 273 HA PHE 41 HA PHE 41 -0.310 4.271 5.342 274 HB2 PHE 41 1HB PHE 41 -1.258 1.842 6.800 275 HB3 PHE 41 2HB PHE 41 0.203 2.644 7.367 276 HD1 PHE 41 2HD PHE 41 -3.185 3.681 6.183 277 HD2 PHE 41 1HD PHE 41 -0.114 4.095 9.101 278 HE1 PHE 41 2HE PHE 41 -4.562 5.321 7.394 279 HE2 PHE 41 1HE PHE 41 -1.487 5.736 10.318 280 HZ PHE 41 HZ PHE 41 -3.714 6.351 9.464 281 H LEU 42 H LEU 42 1.942 3.950 6.017 282 HA LEU 42 HA LEU 42 3.285 1.643 4.829 283 HB2 LEU 42 1HB LEU 42 3.224 3.371 3.087 284 HB3 LEU 42 2HB LEU 42 4.011 4.499 4.189 285 HG LEU 42 HG LEU 42 5.958 2.859 4.228 286 HD11 LEU 42 1HD1 LEU 42 4.179 1.284 2.783 287 HD12 LEU 42 2HD1 LEU 42 5.897 0.982 3.044 288 HD13 LEU 42 3HD1 LEU 42 5.362 1.837 1.597 289 HD21 LEU 42 1HD2 LEU 42 5.432 4.030 1.513 290 HD22 LEU 42 2HD2 LEU 42 6.965 3.880 2.374 291 HD23 LEU 42 3HD2 LEU 42 5.755 5.042 2.921 292 H ASN 43 H ASN 43 4.489 0.830 6.402 293 HA ASN 43 HA ASN 43 5.909 0.639 8.168 294 HB2 ASN 43 1HB ASN 43 6.752 3.204 6.900 295 HB3 ASN 43 2HB ASN 43 7.395 2.823 8.495 296 HD21 ASN 43 1HD2 ASN 43 7.752 2.389 5.202 297 HD22 ASN 43 2HD2 ASN 43 8.908 1.106 5.230 298 H GLY 44 H GLY 44 3.234 1.603 8.617 299 HA2 GLY 44 1HA GLY 44 2.160 2.050 10.655 300 HA3 GLY 44 2HA GLY 44 3.658 2.734 11.269 301 H GLU 45 H GLU 45 3.707 4.263 8.565 302 HA GLU 45 HA GLU 45 2.281 6.573 9.613 303 HB2 GLU 45 1HB GLU 45 3.676 7.876 8.348 304 HB3 GLU 45 2HB GLU 45 4.697 6.456 8.533 305 HG2 GLU 45 1HG GLU 45 3.460 5.741 6.303 306 HG3 GLU 45 2HG GLU 45 3.290 7.487 6.140 307 H GLU 46 H GLU 46 1.391 8.019 7.658 308 HA GLU 46 HA GLU 46 -0.577 6.316 6.287 309 HB2 GLU 46 1HB GLU 46 -1.665 7.841 7.768 310 HB3 GLU 46 2HB GLU 46 -0.699 9.191 7.189 311 HG2 GLU 46 1HG GLU 46 -1.810 8.672 4.904 312 HG3 GLU 46 2HG GLU 46 -3.001 7.817 5.882 313 H LEU 47 H LEU 47 -0.769 6.350 4.117 314 HA LEU 47 HA LEU 47 1.237 7.855 2.628 315 HB2 LEU 47 1HB LEU 47 -0.585 5.572 1.932 316 HB3 LEU 47 2HB LEU 47 0.335 6.440 0.705 317 HG LEU 47 HG LEU 47 1.635 5.080 3.055 318 HD11 LEU 47 1HD1 LEU 47 1.895 3.739 0.494 319 HD12 LEU 47 2HD1 LEU 47 0.231 3.766 1.077 320 HD13 LEU 47 3HD1 LEU 47 1.506 3.082 2.084 321 HD21 LEU 47 1HD2 LEU 47 2.595 6.233 0.451 322 HD22 LEU 47 2HD2 LEU 47 3.558 5.088 1.387 323 HD23 LEU 47 3HD2 LEU 47 3.103 6.641 2.090 324 H LYS 48 H LYS 48 0.671 9.840 2.031 325 HA LYS 48 HA LYS 48 -2.102 10.507 1.499 326 HB2 LYS 48 1HB LYS 48 0.421 12.167 1.512 327 HB3 LYS 48 2HB LYS 48 -1.172 12.817 1.150 328 HG2 LYS 48 1HG LYS 48 -1.951 12.253 3.363 329 HG3 LYS 48 2HG LYS 48 -0.413 11.470 3.734 330 HD2 LYS 48 1HD LYS 48 -0.542 14.354 2.915 331 HD3 LYS 48 2HD LYS 48 -0.795 13.863 4.592 332 HE2 LYS 48 1HE LYS 48 1.636 13.163 2.950 333 HE3 LYS 48 2HE LYS 48 1.548 14.519 4.073 334 HZ1 LYS 48 1HZ LYS 48 1.358 11.632 4.718 335 HZ2 LYS 48 2HZ LYS 48 0.986 12.854 5.826 336 HZ3 LYS 48 3HZ LYS 48 2.556 12.722 5.208 337 H SER 49 H SER 49 -2.856 9.870 -0.425 338 HA SER 49 HA SER 49 -1.164 9.798 -2.764 339 HB2 SER 49 1HB SER 49 -2.832 8.041 -2.441 340 HB3 SER 49 2HB SER 49 -4.123 9.242 -2.437 341 HG SER 49 HG SER 49 -2.862 8.072 -4.535 342 H ASN 50 H ASN 50 -1.301 12.374 -1.777 343 HA ASN 50 HA ASN 50 -3.271 13.869 -3.274 344 HB2 ASN 50 1HB ASN 50 -0.967 14.695 -1.504 345 HB3 ASN 50 2HB ASN 50 -1.986 15.855 -2.352 346 HD21 ASN 50 1HD2 ASN 50 -1.498 14.854 0.557 347 HD22 ASN 50 2HD2 ASN 50 -3.102 14.768 1.194 348 H GLU 51 H GLU 51 0.251 14.350 -3.117 349 HA GLU 51 HA GLU 51 0.569 14.033 -5.954 350 HB2 GLU 51 1HB GLU 51 1.217 16.306 -6.470 351 HB3 GLU 51 2HB GLU 51 -0.415 16.302 -5.816 352 HG2 GLU 51 1HG GLU 51 0.755 16.793 -3.559 353 HG3 GLU 51 2HG GLU 51 2.116 17.276 -4.570 354 HA PRO 52 HA PRO 52 4.537 12.943 -4.309 355 HB2 PRO 52 1HB PRO 52 5.742 12.436 -6.688 356 HB3 PRO 52 2HB PRO 52 4.587 11.327 -5.941 357 HG2 PRO 52 1HG PRO 52 4.150 13.330 -8.122 358 HG3 PRO 52 2HG PRO 52 3.553 11.665 -7.996 359 HD2 PRO 52 1HD PRO 52 2.011 13.813 -7.417 360 HD3 PRO 52 2HD PRO 52 1.831 12.256 -6.583 361 H GLU 53 H GLU 53 5.090 15.039 -3.518 362 HA GLU 53 HA GLU 53 7.128 16.341 -5.129 363 HB2 GLU 53 1HB GLU 53 4.537 17.602 -4.380 364 HB3 GLU 53 2HB GLU 53 5.985 18.594 -4.278 365 HG2 GLU 53 1HG GLU 53 5.072 17.110 -6.732 366 HG3 GLU 53 2HG GLU 53 4.818 18.827 -6.423 367 H GLY 54 H GLY 54 8.355 17.972 -3.845 368 HA2 GLY 54 1HA GLY 54 9.592 18.503 -1.986 369 HA3 GLY 54 2HA GLY 54 8.109 18.265 -1.074 370 H GLN 55 H GLN 55 7.615 16.119 -0.307 371 HA GLN 55 HA GLN 55 9.789 14.853 0.910 372 HB2 GLN 55 1HB GLN 55 6.988 13.850 0.389 373 HB3 GLN 55 2HB GLN 55 8.152 13.021 1.414 374 HG2 GLN 55 1HG GLN 55 8.246 14.969 2.884 375 HG3 GLN 55 2HG GLN 55 7.074 15.796 1.859 376 HE21 GLN 55 1HE2 GLN 55 4.942 14.897 1.706 377 HE22 GLN 55 2HE2 GLN 55 4.295 13.979 3.018 378 H VAL 56 H VAL 56 7.885 13.882 -1.930 379 HA VAL 56 HA VAL 56 10.160 12.237 -2.793 380 HB VAL 56 HB VAL 56 7.272 11.350 -2.854 381 HG11 VAL 56 1HG1 VAL 56 9.482 10.633 -4.513 382 HG12 VAL 56 2HG1 VAL 56 9.037 9.249 -3.513 383 HG13 VAL 56 3HG1 VAL 56 7.829 10.020 -4.541 384 HG21 VAL 56 1HG2 VAL 56 8.423 9.413 -1.512 385 HG22 VAL 56 2HG2 VAL 56 9.611 10.662 -1.136 386 HG23 VAL 56 3HG2 VAL 56 7.919 10.894 -0.696 387 H GLU 57 H GLU 57 10.557 12.234 -4.967 388 HA GLU 57 HA GLU 57 9.141 14.239 -6.523 389 HB2 GLU 57 1HB GLU 57 11.468 12.589 -7.480 390 HB3 GLU 57 2HB GLU 57 10.960 14.181 -8.025 391 HG2 GLU 57 1HG GLU 57 12.814 14.671 -6.762 392 HG3 GLU 57 2HG GLU 57 11.506 14.914 -5.605 393 HA PRO 58 HA PRO 58 6.706 11.482 -8.918 394 HB2 PRO 58 1HB PRO 58 6.649 12.778 -11.303 395 HB3 PRO 58 2HB PRO 58 5.766 13.344 -9.881 396 HG2 PRO 58 1HG PRO 58 8.396 14.271 -10.969 397 HG3 PRO 58 2HG PRO 58 7.044 15.231 -10.342 398 HD2 PRO 58 1HD PRO 58 9.254 14.692 -8.873 399 HD3 PRO 58 2HD PRO 58 7.645 14.872 -8.145 400 H GLY 59 H GLY 59 9.963 11.780 -9.354 401 HA2 GLY 59 1HA GLY 59 9.954 9.697 -11.447 402 HA3 GLY 59 2HA GLY 59 11.115 11.017 -11.478 403 H ALA 60 H ALA 60 10.121 9.541 -8.482 404 HA ALA 60 HA ALA 60 12.728 8.175 -8.324 405 HB1 ALA 60 1HB ALA 60 13.033 8.867 -6.089 406 HB2 ALA 60 2HB ALA 60 12.555 10.313 -6.980 407 HB3 ALA 60 3HB ALA 60 11.380 9.470 -5.969 408 H LEU 61 H LEU 61 9.594 8.368 -6.621 409 HA LEU 61 HA LEU 61 9.725 5.462 -6.211 410 HB2 LEU 61 1HB LEU 61 9.490 6.689 -4.168 411 HB3 LEU 61 2HB LEU 61 8.141 7.615 -4.823 412 HG LEU 61 HG LEU 61 6.775 5.565 -4.849 413 HD11 LEU 61 1HD1 LEU 61 8.773 4.032 -5.045 414 HD12 LEU 61 2HD1 LEU 61 7.516 3.527 -3.916 415 HD13 LEU 61 3HD1 LEU 61 9.003 4.257 -3.310 416 HD21 LEU 61 1HD2 LEU 61 6.184 5.723 -2.644 417 HD22 LEU 61 2HD2 LEU 61 7.149 7.189 -2.814 418 HD23 LEU 61 3HD2 LEU 61 7.855 5.748 -2.081 419 H ARG 62 H ARG 62 8.147 4.115 -6.949 420 HA ARG 62 HA ARG 62 5.971 5.341 -8.513 421 HB2 ARG 62 1HB ARG 62 7.755 3.015 -9.184 422 HB3 ARG 62 2HB ARG 62 6.167 3.183 -9.919 423 HG2 ARG 62 1HG ARG 62 6.799 5.334 -10.850 424 HG3 ARG 62 2HG ARG 62 8.379 5.220 -10.071 425 HD2 ARG 62 1HD ARG 62 8.936 3.279 -11.396 426 HD3 ARG 62 2HD ARG 62 7.319 3.258 -12.100 427 HE ARG 62 HE ARG 62 7.914 5.020 -13.479 428 HH11 ARG 62 2HH1 ARG 62 10.428 4.379 -11.158 429 HH12 ARG 62 1HH1 ARG 62 11.603 5.366 -11.963 430 HH21 ARG 62 2HH2 ARG 62 9.451 6.323 -14.547 431 HH22 ARG 62 1HH2 ARG 62 11.045 6.472 -13.890 432 H TYR 63 H TYR 63 4.094 4.951 -7.555 433 HA TYR 63 HA TYR 63 3.521 2.245 -6.604 434 HB2 TYR 63 1HB TYR 63 2.562 3.054 -4.520 435 HB3 TYR 63 2HB TYR 63 4.246 3.554 -4.633 436 HD1 TYR 63 1HD TYR 63 4.470 5.956 -5.918 437 HD2 TYR 63 2HD TYR 63 1.129 4.623 -3.645 438 HE1 TYR 63 1HE TYR 63 3.806 8.293 -5.534 439 HE2 TYR 63 2HE TYR 63 0.455 6.956 -3.256 440 HH TYR 63 HH TYR 63 2.486 9.642 -4.229 441 H ARG 64 H ARG 64 1.336 1.672 -6.651 442 HA ARG 64 HA ARG 64 -0.459 3.620 -7.939 443 HB2 ARG 64 1HB ARG 64 0.404 1.855 -9.511 444 HB3 ARG 64 2HB ARG 64 -0.413 0.656 -8.518 445 HG2 ARG 64 1HG ARG 64 -2.540 1.987 -8.947 446 HG3 ARG 64 2HG ARG 64 -1.623 2.820 -10.204 447 HD2 ARG 64 1HD ARG 64 -1.955 -0.172 -10.040 448 HD3 ARG 64 2HD ARG 64 -2.968 0.886 -11.022 449 HE ARG 64 HE ARG 64 -0.142 1.140 -11.526 450 HH11 ARG 64 2HH1 ARG 64 -3.083 -0.530 -12.352 451 HH12 ARG 64 1HH1 ARG 64 -2.527 -1.003 -13.923 452 HH21 ARG 64 2HH2 ARG 64 0.601 0.523 -13.593 453 HH22 ARG 64 1HH2 ARG 64 -0.431 -0.405 -14.628 454 H ILE 65 H ILE 65 -2.289 3.962 -6.870 455 HA ILE 65 HA ILE 65 -3.112 1.986 -4.846 456 HB ILE 65 HB ILE 65 -3.563 4.969 -4.929 457 HG12 ILE 65 1HG1 ILE 65 -2.224 3.363 -2.763 458 HG13 ILE 65 2HG1 ILE 65 -1.325 3.946 -4.159 459 HG21 ILE 65 1HG2 ILE 65 -5.415 4.624 -3.750 460 HG22 ILE 65 2HG2 ILE 65 -5.098 2.892 -3.649 461 HG23 ILE 65 3HG2 ILE 65 -4.396 3.988 -2.459 462 HD11 ILE 65 1HD1 ILE 65 -0.950 5.589 -2.593 463 HD12 ILE 65 2HD1 ILE 65 -2.306 6.251 -3.506 464 HD13 ILE 65 3HD1 ILE 65 -2.585 5.489 -1.940 465 H GLU 66 H GLU 66 -4.619 0.732 -5.785 466 HA GLU 66 HA GLU 66 -6.679 1.969 -7.455 467 HB2 GLU 66 1HB GLU 66 -6.152 -0.960 -6.920 468 HB3 GLU 66 2HB GLU 66 -7.269 -0.304 -8.108 469 HG2 GLU 66 1HG GLU 66 -5.131 0.879 -9.031 470 HG3 GLU 66 2HG GLU 66 -4.294 -0.400 -8.154 471 H GLN 67 H GLN 67 -8.603 2.457 -6.652 472 HA GLN 67 HA GLN 67 -9.605 0.937 -4.342 473 HB2 GLN 67 1HB GLN 67 -8.786 3.052 -3.490 474 HB3 GLN 67 2HB GLN 67 -9.690 3.935 -4.713 475 HG2 GLN 67 1HG GLN 67 -11.078 2.172 -2.733 476 HG3 GLN 67 2HG GLN 67 -10.625 3.827 -2.330 477 HE21 GLN 67 1HE2 GLN 67 -13.254 2.447 -2.721 478 HE22 GLN 67 2HE2 GLN 67 -14.104 3.439 -3.851 479 H LYS 68 H LYS 68 -11.175 -0.225 -5.303 480 HA LYS 68 HA LYS 68 -13.305 1.281 -6.663 481 HB2 LYS 68 1HB LYS 68 -12.027 -1.308 -7.531 482 HB3 LYS 68 2HB LYS 68 -13.616 -0.811 -8.096 483 HG2 LYS 68 1HG LYS 68 -12.274 -0.048 -9.789 484 HG3 LYS 68 2HG LYS 68 -12.381 1.386 -8.765 485 HD2 LYS 68 1HD LYS 68 -10.223 1.062 -7.899 486 HD3 LYS 68 2HD LYS 68 -10.158 -0.611 -8.456 487 HE2 LYS 68 1HE LYS 68 -10.333 1.729 -10.339 488 HE3 LYS 68 2HE LYS 68 -8.797 1.076 -9.771 489 HZ1 LYS 68 1HZ LYS 68 -9.437 0.143 -11.910 490 HZ2 LYS 68 2HZ LYS 68 -10.874 -0.451 -11.245 491 HZ3 LYS 68 3HZ LYS 68 -9.386 -1.059 -10.721 492 H GLY 69 H GLY 69 -14.863 1.240 -5.140 493 HA2 GLY 69 1HA GLY 69 -16.395 0.423 -3.634 494 HA3 GLY 69 2HA GLY 69 -16.448 -0.974 -4.699 495 H LEU 70 H LEU 70 -16.335 -2.747 -3.495 496 HA LEU 70 HA LEU 70 -14.793 -2.772 -1.037 497 HB2 LEU 70 1HB LEU 70 -15.673 -5.271 -1.181 498 HB3 LEU 70 2HB LEU 70 -16.680 -3.942 -0.612 499 HG LEU 70 HG LEU 70 -16.785 -4.582 -3.507 500 HD11 LEU 70 1HD1 LEU 70 -18.199 -6.450 -3.266 501 HD12 LEU 70 2HD1 LEU 70 -18.307 -6.243 -1.518 502 HD13 LEU 70 3HD1 LEU 70 -16.795 -6.780 -2.251 503 HD21 LEU 70 1HD2 LEU 70 -18.684 -3.414 -3.401 504 HD22 LEU 70 2HD2 LEU 70 -18.149 -2.917 -1.796 505 HD23 LEU 70 3HD2 LEU 70 -19.245 -4.288 -1.976 506 H GLN 71 H GLN 71 -13.406 -2.556 -3.609 507 HA GLN 71 HA GLN 71 -11.646 -4.880 -3.288 508 HB2 GLN 71 1HB GLN 71 -13.253 -5.018 -5.316 509 HB3 GLN 71 2HB GLN 71 -12.227 -3.775 -6.020 510 HG2 GLN 71 1HG GLN 71 -10.348 -5.193 -6.040 511 HG3 GLN 71 2HG GLN 71 -11.131 -6.370 -4.987 512 HE21 GLN 71 1HE2 GLN 71 -12.085 -8.046 -5.907 513 HE22 GLN 71 2HE2 GLN 71 -12.487 -8.186 -7.581 514 H HIS 72 H HIS 72 -9.887 -3.934 -2.453 515 HA HIS 72 HA HIS 72 -8.819 -1.559 -3.835 516 HB2 HIS 72 1HB HIS 72 -8.399 -2.335 -0.942 517 HB3 HIS 72 2HB HIS 72 -7.798 -0.879 -1.730 518 HD2 HIS 72 2HD HIS 72 -11.440 -2.367 -1.177 519 HE1 HIS 72 1HE HIS 72 -11.487 1.836 -0.602 520 HE2 HIS 72 2HE HIS 72 -12.829 -0.293 -0.499 521 H ARG 73 H ARG 73 -6.679 -1.532 -4.408 522 HA ARG 73 HA ARG 73 -4.924 -3.694 -3.589 523 HB2 ARG 73 1HB ARG 73 -6.125 -4.623 -5.532 524 HB3 ARG 73 2HB ARG 73 -5.608 -3.249 -6.500 525 HG2 ARG 73 1HG ARG 73 -3.228 -3.968 -5.954 526 HG3 ARG 73 2HG ARG 73 -3.942 -5.478 -5.382 527 HD2 ARG 73 1HD ARG 73 -5.143 -5.416 -7.718 528 HD3 ARG 73 2HD ARG 73 -3.791 -4.367 -8.145 529 HE ARG 73 HE ARG 73 -2.647 -6.555 -6.959 530 HH11 ARG 73 2HH1 ARG 73 -4.752 -6.008 -9.677 531 HH12 ARG 73 1HH1 ARG 73 -4.170 -7.374 -10.570 532 HH21 ARG 73 2HH2 ARG 73 -1.872 -8.356 -8.124 533 HH22 ARG 73 1HH2 ARG 73 -2.532 -8.709 -9.685 534 H LEU 74 H LEU 74 -2.820 -3.096 -3.562 535 HA LEU 74 HA LEU 74 -2.089 -0.576 -4.891 536 HB2 LEU 74 1HB LEU 74 -2.261 0.169 -2.720 537 HB3 LEU 74 2HB LEU 74 -1.754 -1.376 -2.040 538 HG LEU 74 HG LEU 74 0.297 0.099 -3.570 539 HD11 LEU 74 1HD1 LEU 74 -1.080 1.234 -1.207 540 HD12 LEU 74 2HD1 LEU 74 -0.270 2.043 -2.548 541 HD13 LEU 74 3HD1 LEU 74 0.680 1.329 -1.245 542 HD21 LEU 74 1HD2 LEU 74 1.745 -0.788 -1.915 543 HD22 LEU 74 2HD2 LEU 74 0.609 -2.072 -2.332 544 HD23 LEU 74 3HD2 LEU 74 0.398 -1.159 -0.837 545 H ILE 75 H ILE 75 -0.261 -0.658 -6.041 546 HA ILE 75 HA ILE 75 1.529 -2.963 -5.622 547 HB ILE 75 HB ILE 75 1.037 -1.567 -8.252 548 HG12 ILE 75 1HG1 ILE 75 -0.012 -3.953 -8.705 549 HG13 ILE 75 2HG1 ILE 75 -0.272 -3.926 -6.965 550 HG21 ILE 75 1HG2 ILE 75 3.239 -2.626 -8.001 551 HG22 ILE 75 2HG2 ILE 75 2.449 -4.154 -7.615 552 HG23 ILE 75 3HG2 ILE 75 2.249 -3.438 -9.214 553 HD11 ILE 75 1HD1 ILE 75 -1.314 -1.580 -7.473 554 HD12 ILE 75 2HD1 ILE 75 -1.495 -2.253 -9.093 555 HD13 ILE 75 3HD1 ILE 75 -2.244 -3.059 -7.715 556 H LEU 76 H LEU 76 3.620 -2.540 -5.274 557 HA LEU 76 HA LEU 76 4.535 0.236 -5.634 558 HB2 LEU 76 1HB LEU 76 5.386 -1.873 -3.661 559 HB3 LEU 76 2HB LEU 76 6.237 -0.346 -3.888 560 HG LEU 76 HG LEU 76 3.343 -0.497 -3.070 561 HD11 LEU 76 1HD1 LEU 76 5.640 -0.048 -1.191 562 HD12 LEU 76 2HD1 LEU 76 4.966 -1.652 -1.479 563 HD13 LEU 76 3HD1 LEU 76 3.948 -0.375 -0.812 564 HD21 LEU 76 1HD2 LEU 76 4.691 1.781 -2.098 565 HD22 LEU 76 2HD2 LEU 76 3.429 1.704 -3.328 566 HD23 LEU 76 3HD2 LEU 76 5.127 1.611 -3.798 567 H HIS 77 H HIS 77 5.443 0.184 -7.636 568 HA HIS 77 HA HIS 77 7.161 -1.984 -8.455 569 HB2 HIS 77 1HB HIS 77 7.063 0.589 -9.960 570 HB3 HIS 77 2HB HIS 77 7.096 -1.065 -10.565 571 HD1 HIS 77 1HD HIS 77 4.841 -2.274 -10.838 572 HD2 HIS 77 2HD HIS 77 4.509 1.600 -9.374 573 HE1 HIS 77 1HE HIS 77 2.398 -1.701 -11.000 574 HE2 HIS 77 2HE HIS 77 2.234 0.678 -10.189 575 H ALA 78 H ALA 78 9.295 -2.105 -8.201 576 HA ALA 78 HA ALA 78 11.480 -1.501 -7.890 577 HB1 ALA 78 1HB ALA 78 10.426 0.708 -9.168 578 HB2 ALA 78 2HB ALA 78 11.173 1.381 -7.719 579 HB3 ALA 78 3HB ALA 78 12.132 0.409 -8.835 580 H VAL 79 H VAL 79 10.234 -2.318 -5.730 581 HA VAL 79 HA VAL 79 10.150 -0.422 -3.594 582 HB VAL 79 HB VAL 79 9.831 -2.342 -2.125 583 HG11 VAL 79 1HG1 VAL 79 7.744 -3.071 -2.968 584 HG12 VAL 79 2HG1 VAL 79 7.975 -1.433 -3.582 585 HG13 VAL 79 3HG1 VAL 79 8.248 -2.819 -4.639 586 HG21 VAL 79 1HG2 VAL 79 10.892 -3.809 -4.472 587 HG22 VAL 79 2HG2 VAL 79 11.138 -4.096 -2.749 588 HG23 VAL 79 3HG2 VAL 79 9.636 -4.603 -3.521 589 H LYS 80 H LYS 80 11.885 0.475 -2.716 590 HA LYS 80 HA LYS 80 14.495 -0.721 -2.958 591 HB2 LYS 80 1HB LYS 80 13.534 1.798 -1.593 592 HB3 LYS 80 2HB LYS 80 15.221 1.306 -1.658 593 HG2 LYS 80 1HG LYS 80 15.116 2.760 -3.420 594 HG3 LYS 80 2HG LYS 80 14.795 1.227 -4.234 595 HD2 LYS 80 1HD LYS 80 12.388 1.671 -4.107 596 HD3 LYS 80 2HD LYS 80 12.715 3.207 -3.301 597 HE2 LYS 80 1HE LYS 80 13.844 4.047 -5.251 598 HE3 LYS 80 2HE LYS 80 13.725 2.479 -6.047 599 HZ1 LYS 80 1HZ LYS 80 11.273 3.849 -5.179 600 HZ2 LYS 80 2HZ LYS 80 11.494 2.748 -6.444 601 HZ3 LYS 80 3HZ LYS 80 12.036 4.343 -6.606 602 H HIS 81 H HIS 81 15.796 -1.500 -1.311 603 HA HIS 81 HA HIS 81 14.507 -2.874 0.786 604 HB2 HIS 81 1HB HIS 81 17.038 -2.980 1.611 605 HB3 HIS 81 2HB HIS 81 16.465 -3.931 0.244 606 HD1 HIS 81 1HD HIS 81 17.373 -3.342 -2.068 607 HD2 HIS 81 2HD HIS 81 18.700 -0.792 0.932 608 HE1 HIS 81 1HE HIS 81 19.219 -1.986 -3.106 609 HE2 HIS 81 2HE HIS 81 20.064 -0.511 -1.247 610 H GLN 82 H GLN 82 15.451 0.356 0.507 611 HA GLN 82 HA GLN 82 16.205 0.960 3.151 612 HB2 GLN 82 1HB GLN 82 15.895 3.244 2.574 613 HB3 GLN 82 2HB GLN 82 16.478 2.439 1.123 614 HG2 GLN 82 1HG GLN 82 14.418 2.568 0.067 615 HG3 GLN 82 2HG GLN 82 13.549 2.816 1.581 616 HE21 GLN 82 1HE2 GLN 82 14.104 4.868 2.739 617 HE22 GLN 82 2HE2 GLN 82 14.318 6.285 1.774 618 H ASP 83 H ASP 83 13.205 0.074 1.831 619 HA ASP 83 HA ASP 83 11.772 1.159 4.163 620 HB2 ASP 83 1HB ASP 83 10.969 0.647 1.341 621 HB3 ASP 83 2HB ASP 83 9.749 0.417 2.591 622 H SER 84 H SER 84 13.350 -1.485 3.484 623 HA SER 84 HA SER 84 11.838 -3.719 3.487 624 HB2 SER 84 1HB SER 84 14.367 -3.021 4.912 625 HB3 SER 84 2HB SER 84 13.589 -4.554 5.302 626 HG SER 84 HG SER 84 15.101 -4.737 3.578 627 H GLY 85 H GLY 85 11.099 -5.168 5.221 628 HA2 GLY 85 1HA GLY 85 9.602 -5.544 6.928 629 HA3 GLY 85 2HA GLY 85 10.704 -4.545 7.865 630 H ALA 86 H ALA 86 8.836 -3.427 5.105 631 HA ALA 86 HA ALA 86 7.801 -1.216 6.564 632 HB1 ALA 86 1HB ALA 86 8.049 -0.703 4.343 633 HB2 ALA 86 2HB ALA 86 7.459 -2.275 3.801 634 HB3 ALA 86 3HB ALA 86 6.324 -1.066 4.402 635 H LEU 87 H LEU 87 5.401 -0.715 6.540 636 HA LEU 87 HA LEU 87 3.807 -3.121 7.106 637 HB2 LEU 87 1HB LEU 87 4.724 -1.728 9.123 638 HB3 LEU 87 2HB LEU 87 3.412 -0.629 8.700 639 HG LEU 87 HG LEU 87 2.600 -2.005 10.438 640 HD11 LEU 87 1HD1 LEU 87 1.213 -1.712 8.268 641 HD12 LEU 87 2HD1 LEU 87 0.671 -2.856 9.495 642 HD13 LEU 87 3HD1 LEU 87 1.505 -3.438 8.055 643 HD21 LEU 87 1HD2 LEU 87 2.769 -4.630 9.313 644 HD22 LEU 87 2HD2 LEU 87 3.399 -4.034 10.848 645 HD23 LEU 87 3HD2 LEU 87 4.379 -3.915 9.386 646 H VAL 88 H VAL 88 2.651 -3.022 5.212 647 HA VAL 88 HA VAL 88 1.212 -0.543 4.599 648 HB VAL 88 HB VAL 88 1.308 -3.043 2.916 649 HG11 VAL 88 1HG1 VAL 88 0.864 -1.282 1.113 650 HG12 VAL 88 2HG1 VAL 88 -0.467 -1.698 2.195 651 HG13 VAL 88 3HG1 VAL 88 0.443 -0.208 2.447 652 HG21 VAL 88 1HG2 VAL 88 3.046 -1.837 1.591 653 HG22 VAL 88 2HG2 VAL 88 3.151 -0.657 2.898 654 HG23 VAL 88 3HG2 VAL 88 3.581 -2.342 3.194 655 H GLY 89 H GLY 89 -0.812 -0.316 5.270 656 HA2 GLY 89 1HA GLY 89 -2.573 -2.661 5.308 657 HA3 GLY 89 2HA GLY 89 -2.387 -1.741 6.794 658 H PHE 90 H PHE 90 -4.827 -2.165 5.373 659 HA PHE 90 HA PHE 90 -5.400 0.502 4.282 660 HB2 PHE 90 1HB PHE 90 -6.124 -1.077 2.715 661 HB3 PHE 90 2HB PHE 90 -6.710 -2.180 3.955 662 HD1 PHE 90 2HD PHE 90 -7.435 0.882 2.070 663 HD2 PHE 90 1HD PHE 90 -8.898 -1.949 4.892 664 HE1 PHE 90 2HE PHE 90 -9.707 1.783 1.791 665 HE2 PHE 90 1HE PHE 90 -11.173 -1.053 4.616 666 HZ PHE 90 HZ PHE 90 -11.580 0.817 3.065 667 H SER 91 H SER 91 -6.024 1.865 5.831 668 HA SER 91 HA SER 91 -7.646 0.891 8.058 669 HB2 SER 91 1HB SER 91 -7.189 3.067 9.091 670 HB3 SER 91 2HB SER 91 -5.688 2.304 8.568 671 HG SER 91 HG SER 91 -6.306 3.660 6.523 672 H CYS 92 H CYS 92 -9.766 1.228 8.205 673 HA CYS 92 HA CYS 92 -11.011 3.460 6.819 674 HB2 CYS 92 1HB CYS 92 -12.312 2.273 5.355 675 HB3 CYS 92 2HB CYS 92 -10.909 1.212 5.398 676 HG CYS 92 HG CYS 92 -13.740 0.743 7.264 677 HA PRO 93 HA PRO 93 -13.674 3.514 10.303 678 HB2 PRO 93 1HB PRO 93 -15.988 4.431 9.219 679 HB3 PRO 93 2HB PRO 93 -14.566 5.454 9.455 680 HG2 PRO 93 1HG PRO 93 -15.523 4.083 6.972 681 HG3 PRO 93 2HG PRO 93 -14.887 5.727 7.168 682 HD2 PRO 93 1HD PRO 93 -13.381 3.687 6.219 683 HD3 PRO 93 2HD PRO 93 -12.696 5.014 7.179 684 H GLY 94 H GLY 94 -13.599 1.095 10.369 685 HA2 GLY 94 1HA GLY 94 -15.772 -0.190 11.077 686 HA3 GLY 94 2HA GLY 94 -16.012 -0.205 9.336 687 H VAL 95 H VAL 95 -12.907 -0.340 9.230 688 HA VAL 95 HA VAL 95 -12.519 -3.113 10.060 689 HB VAL 95 HB VAL 95 -12.217 -2.163 7.211 690 HG11 VAL 95 1HG1 VAL 95 -10.271 -3.465 7.739 691 HG12 VAL 95 2HG1 VAL 95 -11.259 -4.714 8.500 692 HG13 VAL 95 3HG1 VAL 95 -11.355 -4.450 6.758 693 HG21 VAL 95 1HG2 VAL 95 -13.652 -4.268 6.866 694 HG22 VAL 95 2HG2 VAL 95 -13.988 -4.151 8.594 695 HG23 VAL 95 3HG2 VAL 95 -14.434 -2.827 7.517 696 H GLN 96 H GLN 96 -10.355 -3.714 10.318 697 HA GLN 96 HA GLN 96 -8.297 -1.720 9.774 698 HB2 GLN 96 1HB GLN 96 -8.733 -2.881 12.531 699 HB3 GLN 96 2HB GLN 96 -7.434 -1.795 12.058 700 HG2 GLN 96 1HG GLN 96 -9.096 -0.054 11.561 701 HG3 GLN 96 2HG GLN 96 -10.371 -1.143 12.107 702 HE21 GLN 96 1HE2 GLN 96 -7.553 0.684 13.096 703 HE22 GLN 96 2HE2 GLN 96 -7.949 0.752 14.776 704 H ASP 97 H ASP 97 -6.987 -2.891 8.520 705 HA ASP 97 HA ASP 97 -5.776 -5.285 9.649 706 HB2 ASP 97 1HB ASP 97 -7.842 -5.774 8.064 707 HB3 ASP 97 2HB ASP 97 -6.648 -5.490 6.800 708 H SER 98 H SER 98 -3.770 -5.853 8.667 709 HA SER 98 HA SER 98 -2.676 -4.171 6.592 710 HB2 SER 98 1HB SER 98 -0.936 -3.150 7.862 711 HB3 SER 98 2HB SER 98 -2.427 -2.860 8.758 712 HG SER 98 HG SER 98 -1.852 -4.395 10.222 713 H ALA 99 H ALA 99 -0.469 -4.829 5.990 714 HA ALA 99 HA ALA 99 0.055 -7.639 6.716 715 HB1 ALA 99 1HB ALA 99 0.357 -6.281 4.044 716 HB2 ALA 99 2HB ALA 99 0.990 -7.886 4.412 717 HB3 ALA 99 3HB ALA 99 -0.748 -7.589 4.468 718 H ALA 100 H ALA 100 2.424 -8.198 5.885 719 HA ALA 100 HA ALA 100 4.203 -6.088 6.924 720 HB1 ALA 100 1HB ALA 100 5.592 -7.763 7.914 721 HB2 ALA 100 2HB ALA 100 3.930 -8.060 8.427 722 HB3 ALA 100 3HB ALA 100 4.655 -9.056 7.165 723 H LEU 101 H LEU 101 5.572 -5.314 5.470 724 HA LEU 101 HA LEU 101 6.096 -6.835 3.034 725 HB2 LEU 101 1HB LEU 101 6.066 -4.012 3.795 726 HB3 LEU 101 2HB LEU 101 7.422 -4.454 2.760 727 HG LEU 101 HG LEU 101 4.489 -4.767 2.129 728 HD11 LEU 101 1HD1 LEU 101 5.325 -3.250 0.186 729 HD12 LEU 101 2HD1 LEU 101 6.627 -2.853 1.307 730 HD13 LEU 101 3HD1 LEU 101 4.951 -2.542 1.758 731 HD21 LEU 101 1HD2 LEU 101 5.610 -5.311 -0.186 732 HD22 LEU 101 2HD2 LEU 101 5.347 -6.575 1.016 733 HD23 LEU 101 3HD2 LEU 101 6.944 -5.847 0.836 734 H THR 102 H THR 102 8.165 -7.325 2.293 735 HA THR 102 HA THR 102 10.429 -6.811 4.064 736 HB THR 102 HB THR 102 9.499 -9.578 3.296 737 HG1 THR 102 1HG THR 102 8.639 -8.907 5.240 738 HG21 THR 102 1HG2 THR 102 11.643 -10.250 4.556 739 HG22 THR 102 2HG2 THR 102 12.193 -8.612 4.203 740 HG23 THR 102 3HG2 THR 102 11.797 -9.714 2.884 741 H ILE 103 H ILE 103 12.338 -6.593 3.006 742 HA ILE 103 HA ILE 103 12.455 -7.380 0.178 743 HB ILE 103 HB ILE 103 13.398 -4.709 1.224 744 HG12 ILE 103 1HG1 ILE 103 11.195 -5.059 -0.775 745 HG13 ILE 103 2HG1 ILE 103 10.837 -5.217 0.941 746 HG21 ILE 103 1HG2 ILE 103 14.562 -4.511 -0.654 747 HG22 ILE 103 2HG2 ILE 103 14.172 -6.188 -1.033 748 HG23 ILE 103 3HG2 ILE 103 13.136 -4.888 -1.622 749 HD11 ILE 103 1HD1 ILE 103 12.090 -2.810 -0.358 750 HD12 ILE 103 2HD1 ILE 103 10.393 -2.967 0.097 751 HD13 ILE 103 3HD1 ILE 103 11.644 -2.971 1.340 752 H GLN 104 H GLN 104 14.242 -8.471 -0.306 753 HA GLN 104 HA GLN 104 16.438 -8.480 1.637 754 HB2 GLN 104 1HB GLN 104 15.737 -10.410 -0.580 755 HB3 GLN 104 2HB GLN 104 17.153 -10.557 0.452 756 HG2 GLN 104 1HG GLN 104 15.411 -10.482 2.384 757 HG3 GLN 104 2HG GLN 104 14.275 -10.946 1.119 758 HE21 GLN 104 1HE2 GLN 104 14.153 -12.813 2.679 759 HE22 GLN 104 2HE2 GLN 104 15.220 -14.140 2.389 760 H GLU 105 H GLU 105 18.178 -7.311 1.207 761 HA GLU 105 HA GLU 105 18.628 -5.887 -1.134 762 HB2 GLU 105 1HB GLU 105 20.385 -6.698 1.153 763 HB3 GLU 105 2HB GLU 105 21.089 -5.890 -0.241 764 HG2 GLU 105 1HG GLU 105 20.651 -4.079 1.043 765 HG3 GLU 105 2HG GLU 105 19.111 -4.195 0.195 766 H SER 106 H SER 106 19.838 -6.213 -2.960 767 HA SER 106 HA SER 106 21.112 -8.836 -3.303 768 HB2 SER 106 1HB SER 106 18.717 -8.601 -4.317 769 HB3 SER 106 2HB SER 106 19.525 -7.636 -5.552 770 HG SER 106 HG SER 106 19.455 -10.310 -5.268 771 H SER 107 H SER 107 22.450 -8.876 -5.364 772 HA SER 107 HA SER 107 24.507 -7.093 -5.268 773 HB2 SER 107 1HB SER 107 24.674 -9.142 -6.553 774 HB3 SER 107 2HB SER 107 23.466 -8.563 -7.701 775 HG SER 107 HG SER 107 26.145 -8.011 -7.542 776 H GLY 108 H GLY 108 24.458 -4.949 -5.395 777 HA2 GLY 108 1HA GLY 108 23.850 -3.536 -7.713 778 HA3 GLY 108 2HA GLY 108 22.415 -3.481 -6.700 779 HA PRO 109 HA PRO 109 24.915 0.156 -5.475 780 HB2 PRO 109 1HB PRO 109 22.760 1.725 -4.961 781 HB3 PRO 109 2HB PRO 109 23.440 1.527 -6.581 782 HG2 PRO 109 1HG PRO 109 21.065 0.186 -5.346 783 HG3 PRO 109 2HG PRO 109 21.248 0.859 -6.976 784 HD2 PRO 109 1HD PRO 109 21.448 -1.793 -6.464 785 HD3 PRO 109 2HD PRO 109 22.374 -0.997 -7.752 786 H SER 110 H SER 110 22.987 -2.058 -3.926 787 HA SER 110 HA SER 110 22.122 -1.172 -1.557 788 HB2 SER 110 1HB SER 110 22.304 -3.585 -2.296 789 HB3 SER 110 2HB SER 110 23.967 -3.562 -1.710 790 HG SER 110 HG SER 110 23.272 -3.433 0.323 791 H SER 111 H SER 111 22.917 -0.587 0.450 792 HA SER 111 HA SER 111 25.535 0.637 0.417 793 HB2 SER 111 1HB SER 111 23.640 1.830 1.423 794 HB3 SER 111 2HB SER 111 23.439 0.533 2.601 795 HG SER 111 HG SER 111 25.271 1.132 3.600 796 H GLY 112 H GLY 112 27.043 -1.005 0.441 797 HA2 GLY 112 1HA GLY 112 27.121 -2.588 2.934 798 HA3 GLY 112 2HA GLY 112 27.533 -3.293 1.378 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -26.463 18.246 13.824 2 HA2 GLY 1 1HA GLY 1 -29.258 18.464 13.321 3 HA3 GLY 1 2HA GLY 1 -27.993 18.340 12.107 4 H SER 2 H SER 2 -28.337 16.691 10.792 5 HA SER 2 HA SER 2 -29.945 14.441 11.599 6 HB2 SER 2 1HB SER 2 -28.712 15.388 9.051 7 HB3 SER 2 2HB SER 2 -29.136 13.681 9.182 8 HG SER 2 HG SER 2 -31.025 15.589 9.967 9 H SER 3 H SER 3 -28.949 13.121 13.022 10 HA SER 3 HA SER 3 -26.212 12.236 12.449 11 HB2 SER 3 1HB SER 3 -26.030 11.607 14.723 12 HB3 SER 3 2HB SER 3 -26.905 13.138 14.747 13 HG SER 3 HG SER 3 -27.682 11.031 15.924 14 H GLY 4 H GLY 4 -28.170 11.240 10.749 15 HA2 GLY 4 1HA GLY 4 -28.393 8.433 11.651 16 HA3 GLY 4 2HA GLY 4 -29.586 9.213 10.623 17 H SER 5 H SER 5 -26.094 8.511 10.695 18 HA SER 5 HA SER 5 -26.302 7.629 7.904 19 HB2 SER 5 1HB SER 5 -24.504 9.752 9.006 20 HB3 SER 5 2HB SER 5 -23.913 8.728 7.698 21 HG SER 5 HG SER 5 -25.777 9.360 6.499 22 H SER 6 H SER 6 -24.941 5.962 7.325 23 HA SER 6 HA SER 6 -23.261 4.848 9.474 24 HB2 SER 6 1HB SER 6 -25.370 3.560 9.186 25 HB3 SER 6 2HB SER 6 -24.924 3.255 7.508 26 HG SER 6 HG SER 6 -22.898 2.375 8.529 27 H GLY 7 H GLY 7 -21.314 5.557 8.682 28 HA2 GLY 7 1HA GLY 7 -20.616 4.744 5.934 29 HA3 GLY 7 2HA GLY 7 -19.834 6.039 6.829 30 H THR 8 H THR 8 -20.339 2.526 6.853 31 HA THR 8 HA THR 8 -17.541 2.150 7.543 32 HB THR 8 HB THR 8 -17.977 0.680 9.434 33 HG1 THR 8 1HG THR 8 -19.930 -0.042 9.777 34 HG21 THR 8 1HG2 THR 8 -17.788 3.247 9.662 35 HG22 THR 8 2HG2 THR 8 -18.368 2.322 11.047 36 HG23 THR 8 3HG2 THR 8 -19.512 3.189 10.023 37 H ALA 9 H ALA 9 -16.975 -0.225 7.546 38 HA ALA 9 HA ALA 9 -18.783 -1.892 5.978 39 HB1 ALA 9 1HB ALA 9 -17.737 -1.532 4.054 40 HB2 ALA 9 2HB ALA 9 -16.520 -0.530 4.846 41 HB3 ALA 9 3HB ALA 9 -16.298 -2.277 4.749 42 H ARG 10 H ARG 10 -17.433 -4.063 5.483 43 HA ARG 10 HA ARG 10 -16.087 -4.819 7.991 44 HB2 ARG 10 1HB ARG 10 -18.562 -5.659 7.414 45 HB3 ARG 10 2HB ARG 10 -17.653 -6.875 6.526 46 HG2 ARG 10 1HG ARG 10 -16.870 -6.321 9.336 47 HG3 ARG 10 2HG ARG 10 -18.357 -7.224 9.041 48 HD2 ARG 10 1HD ARG 10 -16.765 -8.554 7.385 49 HD3 ARG 10 2HD ARG 10 -15.534 -7.971 8.505 50 HE ARG 10 HE ARG 10 -16.322 -9.436 10.078 51 HH11 ARG 10 2HH1 ARG 10 -18.677 -9.114 7.534 52 HH12 ARG 10 1HH1 ARG 10 -19.682 -10.396 8.125 53 HH21 ARG 10 2HH2 ARG 10 -17.637 -11.125 10.866 54 HH22 ARG 10 1HH2 ARG 10 -19.090 -11.539 10.020 55 H LEU 11 H LEU 11 -14.527 -6.503 7.835 56 HA LEU 11 HA LEU 11 -13.171 -6.529 5.266 57 HB2 LEU 11 1HB LEU 11 -11.987 -6.117 7.433 58 HB3 LEU 11 2HB LEU 11 -12.311 -7.796 7.860 59 HG LEU 11 HG LEU 11 -10.938 -8.545 5.985 60 HD11 LEU 11 1HD1 LEU 11 -11.211 -6.856 4.366 61 HD12 LEU 11 2HD1 LEU 11 -9.515 -6.792 4.842 62 HD13 LEU 11 3HD1 LEU 11 -10.652 -5.598 5.469 63 HD21 LEU 11 1HD2 LEU 11 -9.832 -8.281 8.097 64 HD22 LEU 11 2HD2 LEU 11 -9.622 -6.551 7.824 65 HD23 LEU 11 3HD2 LEU 11 -8.749 -7.714 6.825 66 H VAL 12 H VAL 12 -12.846 -8.297 3.994 67 HA VAL 12 HA VAL 12 -14.162 -10.797 4.836 68 HB VAL 12 HB VAL 12 -14.303 -11.059 2.189 69 HG11 VAL 12 1HG1 VAL 12 -16.315 -11.338 3.198 70 HG12 VAL 12 2HG1 VAL 12 -16.138 -9.896 4.199 71 HG13 VAL 12 3HG1 VAL 12 -16.605 -9.743 2.505 72 HG21 VAL 12 1HG2 VAL 12 -14.347 -8.085 2.665 73 HG22 VAL 12 2HG2 VAL 12 -13.284 -8.986 1.585 74 HG23 VAL 12 3HG2 VAL 12 -15.005 -8.856 1.222 75 H ALA 13 H ALA 13 -11.560 -9.345 2.938 76 HA ALA 13 HA ALA 13 -10.031 -11.832 3.269 77 HB1 ALA 13 1HB ALA 13 -9.741 -10.295 0.730 78 HB2 ALA 13 2HB ALA 13 -9.435 -12.001 1.057 79 HB3 ALA 13 3HB ALA 13 -11.092 -11.415 0.913 80 H GLY 14 H GLY 14 -9.215 -10.446 5.074 81 HA2 GLY 14 1HA GLY 14 -7.925 -8.070 4.964 82 HA3 GLY 14 2HA GLY 14 -7.325 -9.417 5.920 83 H LEU 15 H LEU 15 -5.646 -7.481 4.815 84 HA LEU 15 HA LEU 15 -4.534 -8.013 2.342 85 HB2 LEU 15 1HB LEU 15 -3.236 -7.073 4.890 86 HB3 LEU 15 2HB LEU 15 -2.406 -7.111 3.335 87 HG LEU 15 HG LEU 15 -4.970 -5.608 3.536 88 HD11 LEU 15 1HD1 LEU 15 -3.489 -3.599 4.162 89 HD12 LEU 15 2HD1 LEU 15 -2.374 -4.809 4.798 90 HD13 LEU 15 3HD1 LEU 15 -4.011 -4.693 5.444 91 HD21 LEU 15 1HD2 LEU 15 -3.626 -5.969 1.419 92 HD22 LEU 15 2HD2 LEU 15 -2.404 -4.913 2.128 93 HD23 LEU 15 3HD2 LEU 15 -4.027 -4.298 1.815 94 H GLU 16 H GLU 16 -2.420 -9.035 1.860 95 HA GLU 16 HA GLU 16 -1.997 -11.470 3.464 96 HB2 GLU 16 1HB GLU 16 -1.851 -11.243 0.452 97 HB3 GLU 16 2HB GLU 16 -1.521 -12.692 1.392 98 HG2 GLU 16 1HG GLU 16 -4.175 -11.294 1.468 99 HG3 GLU 16 2HG GLU 16 -3.787 -12.536 0.280 100 H ASP 17 H ASP 17 0.143 -12.339 3.438 101 HA ASP 17 HA ASP 17 2.166 -10.390 3.656 102 HB2 ASP 17 1HB ASP 17 3.703 -12.392 3.815 103 HB3 ASP 17 2HB ASP 17 2.371 -12.370 4.967 104 H VAL 18 H VAL 18 3.734 -9.709 2.290 105 HA VAL 18 HA VAL 18 3.961 -11.004 -0.336 106 HB VAL 18 HB VAL 18 3.525 -8.061 0.156 107 HG11 VAL 18 1HG1 VAL 18 3.946 -7.739 -2.249 108 HG12 VAL 18 2HG1 VAL 18 5.384 -8.284 -1.383 109 HG13 VAL 18 3HG1 VAL 18 4.462 -9.421 -2.368 110 HG21 VAL 18 1HG2 VAL 18 2.012 -10.252 -1.186 111 HG22 VAL 18 2HG2 VAL 18 1.433 -8.975 -0.116 112 HG23 VAL 18 3HG2 VAL 18 1.849 -8.602 -1.788 113 H GLN 19 H GLN 19 6.004 -11.352 -0.919 114 HA GLN 19 HA GLN 19 8.117 -9.684 0.262 115 HB2 GLN 19 1HB GLN 19 9.418 -11.508 0.890 116 HB3 GLN 19 2HB GLN 19 7.793 -12.023 1.324 117 HG2 GLN 19 1HG GLN 19 7.666 -13.270 -0.808 118 HG3 GLN 19 2HG GLN 19 9.343 -12.828 -1.126 119 HE21 GLN 19 1HE2 GLN 19 10.459 -14.644 -0.923 120 HE22 GLN 19 2HE2 GLN 19 10.405 -15.713 0.433 121 H VAL 20 H VAL 20 9.423 -8.833 -1.212 122 HA VAL 20 HA VAL 20 9.910 -10.277 -3.716 123 HB VAL 20 HB VAL 20 9.653 -8.193 -5.023 124 HG11 VAL 20 1HG1 VAL 20 7.365 -8.409 -5.325 125 HG12 VAL 20 2HG1 VAL 20 7.800 -9.946 -4.573 126 HG13 VAL 20 3HG1 VAL 20 7.060 -8.668 -3.608 127 HG21 VAL 20 1HG2 VAL 20 8.492 -7.091 -2.465 128 HG22 VAL 20 2HG2 VAL 20 9.996 -6.580 -3.231 129 HG23 VAL 20 3HG2 VAL 20 8.454 -6.292 -4.036 130 H TYR 21 H TYR 21 11.780 -9.460 -4.905 131 HA TYR 21 HA TYR 21 13.928 -8.809 -3.108 132 HB2 TYR 21 1HB TYR 21 13.711 -9.534 -6.000 133 HB3 TYR 21 2HB TYR 21 15.190 -8.774 -5.424 134 HD1 TYR 21 1HD TYR 21 12.882 -11.489 -4.272 135 HD2 TYR 21 2HD TYR 21 16.895 -10.227 -4.909 136 HE1 TYR 21 1HE TYR 21 13.688 -13.673 -3.479 137 HE2 TYR 21 2HE TYR 21 17.712 -12.408 -4.119 138 HH TYR 21 HH TYR 21 16.636 -14.283 -2.458 139 H ASP 22 H ASP 22 15.503 -7.082 -3.615 140 HA ASP 22 HA ASP 22 14.312 -4.560 -3.610 141 HB2 ASP 22 1HB ASP 22 16.418 -4.547 -2.660 142 HB3 ASP 22 2HB ASP 22 17.112 -5.551 -3.929 143 H GLY 23 H GLY 23 13.903 -3.038 -5.145 144 HA2 GLY 23 1HA GLY 23 13.951 -2.034 -7.257 145 HA3 GLY 23 2HA GLY 23 14.840 -3.421 -7.871 146 H GLU 24 H GLU 24 12.765 -5.217 -6.596 147 HA GLU 24 HA GLU 24 11.139 -5.526 -8.896 148 HB2 GLU 24 1HB GLU 24 10.740 -6.728 -6.152 149 HB3 GLU 24 2HB GLU 24 10.033 -7.304 -7.655 150 HG2 GLU 24 1HG GLU 24 12.923 -7.363 -6.840 151 HG3 GLU 24 2HG GLU 24 11.848 -8.730 -7.125 152 H ASP 25 H ASP 25 8.618 -6.013 -8.199 153 HA ASP 25 HA ASP 25 7.644 -3.476 -7.056 154 HB2 ASP 25 1HB ASP 25 6.235 -5.039 -9.219 155 HB3 ASP 25 2HB ASP 25 5.887 -3.404 -8.665 156 H ALA 26 H ALA 26 6.766 -3.887 -5.141 157 HA ALA 26 HA ALA 26 5.417 -6.444 -4.683 158 HB1 ALA 26 1HB ALA 26 5.387 -5.021 -2.300 159 HB2 ALA 26 2HB ALA 26 6.514 -6.300 -2.754 160 HB3 ALA 26 3HB ALA 26 6.934 -4.611 -3.040 161 H VAL 27 H VAL 27 3.274 -6.607 -4.669 162 HA VAL 27 HA VAL 27 1.674 -4.175 -4.217 163 HB VAL 27 HB VAL 27 1.233 -4.374 -6.443 164 HG11 VAL 27 1HG1 VAL 27 1.346 -6.393 -7.747 165 HG12 VAL 27 2HG1 VAL 27 2.782 -6.294 -6.725 166 HG13 VAL 27 3HG1 VAL 27 1.460 -7.377 -6.288 167 HG21 VAL 27 1HG2 VAL 27 -0.638 -6.473 -5.350 168 HG22 VAL 27 2HG2 VAL 27 -0.879 -4.731 -5.226 169 HG23 VAL 27 3HG2 VAL 27 -0.880 -5.510 -6.808 170 H PHE 28 H PHE 28 -0.323 -4.458 -3.188 171 HA PHE 28 HA PHE 28 -0.700 -7.093 -1.923 172 HB2 PHE 28 1HB PHE 28 -0.981 -4.324 -0.774 173 HB3 PHE 28 2HB PHE 28 -1.773 -5.712 -0.036 174 HD1 PHE 28 2HD PHE 28 1.474 -4.193 -0.853 175 HD2 PHE 28 1HD PHE 28 -0.545 -7.314 1.220 176 HE1 PHE 28 2HE PHE 28 3.547 -4.721 0.363 177 HE2 PHE 28 1HE PHE 28 1.524 -7.847 2.440 178 HZ PHE 28 HZ PHE 28 3.574 -6.550 2.012 179 H SER 29 H SER 29 -3.013 -7.289 -1.014 180 HA SER 29 HA SER 29 -5.045 -5.912 -2.546 181 HB2 SER 29 1HB SER 29 -5.936 -7.811 -3.675 182 HB3 SER 29 2HB SER 29 -4.203 -7.820 -4.003 183 HG SER 29 HG SER 29 -3.975 -9.582 -2.836 184 H LEU 30 H LEU 30 -7.085 -6.053 -1.636 185 HA LEU 30 HA LEU 30 -7.606 -7.887 0.534 186 HB2 LEU 30 1HB LEU 30 -7.882 -6.311 2.258 187 HB3 LEU 30 2HB LEU 30 -6.315 -5.966 1.527 188 HG LEU 30 HG LEU 30 -7.780 -4.219 0.153 189 HD11 LEU 30 1HD1 LEU 30 -9.395 -3.178 1.781 190 HD12 LEU 30 2HD1 LEU 30 -9.291 -4.670 2.715 191 HD13 LEU 30 3HD1 LEU 30 -9.910 -4.704 1.064 192 HD21 LEU 30 1HD2 LEU 30 -5.914 -3.442 1.306 193 HD22 LEU 30 2HD2 LEU 30 -6.528 -3.988 2.867 194 HD23 LEU 30 3HD2 LEU 30 -7.252 -2.588 2.074 195 H ASP 31 H ASP 31 -9.768 -8.188 0.903 196 HA ASP 31 HA ASP 31 -11.585 -6.662 -0.840 197 HB2 ASP 31 1HB ASP 31 -11.819 -9.483 0.224 198 HB3 ASP 31 2HB ASP 31 -13.076 -8.660 -0.695 199 H LEU 32 H LEU 32 -13.647 -6.070 -0.046 200 HA LEU 32 HA LEU 32 -13.902 -6.118 2.887 201 HB2 LEU 32 1HB LEU 32 -14.742 -3.818 1.139 202 HB3 LEU 32 2HB LEU 32 -14.693 -3.872 2.900 203 HG LEU 32 HG LEU 32 -12.219 -4.053 1.194 204 HD11 LEU 32 1HD1 LEU 32 -13.789 -1.685 2.074 205 HD12 LEU 32 2HD1 LEU 32 -12.871 -1.948 0.592 206 HD13 LEU 32 3HD1 LEU 32 -12.027 -1.590 2.099 207 HD21 LEU 32 1HD2 LEU 32 -12.828 -4.043 4.061 208 HD22 LEU 32 2HD2 LEU 32 -11.552 -2.923 3.581 209 HD23 LEU 32 3HD2 LEU 32 -11.408 -4.640 3.201 210 H SER 33 H SER 33 -16.282 -5.179 3.377 211 HA SER 33 HA SER 33 -18.057 -7.115 2.152 212 HB2 SER 33 1HB SER 33 -18.093 -6.810 4.591 213 HB3 SER 33 2HB SER 33 -18.560 -5.123 4.377 214 HG SER 33 HG SER 33 -20.244 -6.894 4.741 215 H THR 34 H THR 34 -17.597 -3.641 2.235 216 HA THR 34 HA THR 34 -19.339 -3.358 -0.072 217 HB THR 34 HB THR 34 -20.830 -3.050 1.918 218 HG1 THR 34 1HG THR 34 -21.226 -1.987 -0.113 219 HG21 THR 34 1HG2 THR 34 -20.498 -0.657 2.940 220 HG22 THR 34 2HG2 THR 34 -18.814 -0.920 2.487 221 HG23 THR 34 3HG2 THR 34 -19.614 -2.034 3.595 222 H ILE 35 H ILE 35 -19.289 -1.049 -0.892 223 HA ILE 35 HA ILE 35 -16.585 -0.233 -1.169 224 HB ILE 35 HB ILE 35 -19.006 1.400 -1.919 225 HG12 ILE 35 1HG1 ILE 35 -18.386 0.181 -4.221 226 HG13 ILE 35 2HG1 ILE 35 -17.880 -1.085 -3.108 227 HG21 ILE 35 1HG2 ILE 35 -16.341 2.006 -2.058 228 HG22 ILE 35 2HG2 ILE 35 -16.669 1.371 -3.670 229 HG23 ILE 35 3HG2 ILE 35 -17.606 2.730 -3.049 230 HD11 ILE 35 1HD1 ILE 35 -20.399 -0.747 -4.088 231 HD12 ILE 35 2HD1 ILE 35 -19.981 -1.655 -2.635 232 HD13 ILE 35 3HD1 ILE 35 -20.509 0.022 -2.505 233 H ILE 36 H ILE 36 -15.416 1.133 0.008 234 HA ILE 36 HA ILE 36 -16.667 3.299 1.472 235 HB ILE 36 HB ILE 36 -16.743 1.328 3.022 236 HG12 ILE 36 1HG1 ILE 36 -14.891 3.518 3.973 237 HG13 ILE 36 2HG1 ILE 36 -16.622 3.743 3.752 238 HG21 ILE 36 1HG2 ILE 36 -13.784 1.615 3.338 239 HG22 ILE 36 2HG2 ILE 36 -14.839 0.290 3.828 240 HG23 ILE 36 3HG2 ILE 36 -14.449 0.521 2.124 241 HD11 ILE 36 1HD1 ILE 36 -16.498 1.500 5.321 242 HD12 ILE 36 2HD1 ILE 36 -15.163 2.483 5.923 243 HD13 ILE 36 3HD1 ILE 36 -16.798 3.144 5.883 244 H GLN 37 H GLN 37 -15.156 4.870 2.243 245 HA GLN 37 HA GLN 37 -12.670 4.850 0.705 246 HB2 GLN 37 1HB GLN 37 -14.289 6.783 0.579 247 HB3 GLN 37 2HB GLN 37 -13.870 7.151 2.247 248 HG2 GLN 37 1HG GLN 37 -12.446 8.554 1.175 249 HG3 GLN 37 2HG GLN 37 -11.422 7.124 1.284 250 HE21 GLN 37 1HE2 GLN 37 -11.102 9.195 -0.593 251 HE22 GLN 37 2HE2 GLN 37 -11.368 8.538 -2.168 252 H GLY 38 H GLY 38 -10.903 4.140 1.694 253 HA2 GLY 38 1HA GLY 38 -10.618 4.685 4.586 254 HA3 GLY 38 2HA GLY 38 -10.004 3.234 3.808 255 H THR 39 H THR 39 -7.992 3.934 4.894 256 HA THR 39 HA THR 39 -6.455 5.657 3.087 257 HB THR 39 HB THR 39 -6.422 5.896 6.102 258 HG1 THR 39 1HG THR 39 -7.882 7.356 5.642 259 HG21 THR 39 1HG2 THR 39 -4.317 6.303 4.288 260 HG22 THR 39 2HG2 THR 39 -4.393 6.811 5.975 261 HG23 THR 39 3HG2 THR 39 -4.919 7.908 4.699 262 H TRP 40 H TRP 40 -4.531 4.824 2.552 263 HA TRP 40 HA TRP 40 -3.776 2.260 3.635 264 HB2 TRP 40 1HB TRP 40 -2.776 3.992 1.398 265 HB3 TRP 40 2HB TRP 40 -1.804 2.638 1.967 266 HD1 TRP 40 HD TRP 40 -4.896 3.453 -0.061 267 HE1 TRP 40 1HE TRP 40 -5.796 1.294 -1.137 268 HE3 TRP 40 3HE TRP 40 -1.974 0.047 2.387 269 HZ2 TRP 40 2HZ TRP 40 -5.328 -1.484 -0.970 270 HZ3 TRP 40 3HZ TRP 40 -2.263 -2.342 1.872 271 HH2 TRP 40 HH TRP 40 -3.906 -3.090 0.228 272 H PHE 41 H PHE 41 -1.702 1.767 4.526 273 HA PHE 41 HA PHE 41 -0.264 4.063 5.666 274 HB2 PHE 41 1HB PHE 41 -1.520 1.769 7.093 275 HB3 PHE 41 2HB PHE 41 0.031 2.351 7.689 276 HD1 PHE 41 2HD PHE 41 -3.325 3.621 6.683 277 HD2 PHE 41 1HD PHE 41 0.061 4.064 9.224 278 HE1 PHE 41 2HE PHE 41 -4.475 5.427 7.894 279 HE2 PHE 41 1HE PHE 41 -1.084 5.871 10.440 280 HZ PHE 41 HZ PHE 41 -3.354 6.555 9.775 281 H LEU 42 H LEU 42 1.931 3.864 5.781 282 HA LEU 42 HA LEU 42 3.093 1.309 4.892 283 HB2 LEU 42 1HB LEU 42 3.147 2.866 3.044 284 HB3 LEU 42 2HB LEU 42 3.894 4.094 4.064 285 HG LEU 42 HG LEU 42 5.948 2.879 4.148 286 HD11 LEU 42 1HD1 LEU 42 5.795 0.735 2.464 287 HD12 LEU 42 2HD1 LEU 42 4.252 0.651 3.313 288 HD13 LEU 42 3HD1 LEU 42 5.761 0.652 4.225 289 HD21 LEU 42 1HD2 LEU 42 5.882 4.196 2.217 290 HD22 LEU 42 2HD2 LEU 42 4.732 3.125 1.415 291 HD23 LEU 42 3HD2 LEU 42 6.405 2.612 1.643 292 H ASN 43 H ASN 43 4.089 0.517 6.632 293 HA ASN 43 HA ASN 43 5.539 0.310 8.372 294 HB2 ASN 43 1HB ASN 43 6.675 2.584 6.827 295 HB3 ASN 43 2HB ASN 43 7.274 2.349 8.466 296 HD21 ASN 43 1HD2 ASN 43 7.821 1.618 5.335 297 HD22 ASN 43 2HD2 ASN 43 8.725 0.158 5.522 298 H GLY 44 H GLY 44 3.084 1.327 9.003 299 HA2 GLY 44 1HA GLY 44 2.058 2.238 10.858 300 HA3 GLY 44 2HA GLY 44 3.648 2.679 11.463 301 H GLU 45 H GLU 45 3.650 3.929 8.483 302 HA GLU 45 HA GLU 45 2.789 6.551 9.467 303 HB2 GLU 45 1HB GLU 45 4.896 6.909 8.659 304 HB3 GLU 45 2HB GLU 45 4.781 5.610 7.480 305 HG2 GLU 45 1HG GLU 45 4.889 7.589 6.233 306 HG3 GLU 45 2HG GLU 45 3.198 7.094 6.189 307 H GLU 46 H GLU 46 1.609 7.983 8.036 308 HA GLU 46 HA GLU 46 -0.448 6.534 6.575 309 HB2 GLU 46 1HB GLU 46 -1.151 8.235 8.180 310 HB3 GLU 46 2HB GLU 46 -0.224 9.455 7.318 311 HG2 GLU 46 1HG GLU 46 -1.691 9.465 5.507 312 HG3 GLU 46 2HG GLU 46 -2.406 7.920 5.962 313 H LEU 47 H LEU 47 -0.914 6.793 4.418 314 HA LEU 47 HA LEU 47 1.231 7.973 2.811 315 HB2 LEU 47 1HB LEU 47 -0.906 5.946 2.239 316 HB3 LEU 47 2HB LEU 47 0.001 6.723 0.942 317 HG LEU 47 HG LEU 47 1.215 5.059 3.148 318 HD11 LEU 47 1HD1 LEU 47 1.614 3.430 1.304 319 HD12 LEU 47 2HD1 LEU 47 0.545 4.396 0.287 320 HD13 LEU 47 3HD1 LEU 47 -0.083 3.626 1.745 321 HD21 LEU 47 1HD2 LEU 47 2.404 6.231 0.636 322 HD22 LEU 47 2HD2 LEU 47 3.230 5.150 1.758 323 HD23 LEU 47 3HD2 LEU 47 2.731 6.757 2.287 324 H LYS 48 H LYS 48 0.900 9.590 1.360 325 HA LYS 48 HA LYS 48 -1.700 10.939 1.499 326 HB2 LYS 48 1HB LYS 48 1.093 11.842 0.919 327 HB3 LYS 48 2HB LYS 48 -0.257 12.776 0.286 328 HG2 LYS 48 1HG LYS 48 -1.142 12.896 2.633 329 HG3 LYS 48 2HG LYS 48 0.388 12.193 3.164 330 HD2 LYS 48 1HD LYS 48 1.580 14.074 2.081 331 HD3 LYS 48 2HD LYS 48 0.020 14.790 1.671 332 HE2 LYS 48 1HE LYS 48 0.682 15.886 3.634 333 HE3 LYS 48 2HE LYS 48 -0.494 14.684 4.166 334 HZ1 LYS 48 1HZ LYS 48 1.471 13.217 4.648 335 HZ2 LYS 48 2HZ LYS 48 1.304 14.564 5.657 336 HZ3 LYS 48 3HZ LYS 48 2.455 14.574 4.418 337 H SER 49 H SER 49 -2.960 11.270 -0.258 338 HA SER 49 HA SER 49 -2.100 9.978 -2.751 339 HB2 SER 49 1HB SER 49 -4.565 10.042 -3.306 340 HB3 SER 49 2HB SER 49 -4.142 9.040 -1.918 341 HG SER 49 HG SER 49 -4.925 11.737 -1.616 342 H ASN 50 H ASN 50 -0.908 11.648 -3.661 343 HA ASN 50 HA ASN 50 -2.414 13.592 -5.104 344 HB2 ASN 50 1HB ASN 50 -2.238 14.670 -2.844 345 HB3 ASN 50 2HB ASN 50 -0.488 14.677 -3.040 346 HD21 ASN 50 1HD2 ASN 50 -2.084 16.961 -2.658 347 HD22 ASN 50 2HD2 ASN 50 -1.960 17.943 -4.074 348 H GLU 51 H GLU 51 -1.410 13.958 -6.977 349 HA GLU 51 HA GLU 51 0.794 12.665 -7.881 350 HB2 GLU 51 1HB GLU 51 -0.446 15.271 -8.666 351 HB3 GLU 51 2HB GLU 51 1.059 14.778 -9.429 352 HG2 GLU 51 1HG GLU 51 -1.296 12.936 -9.339 353 HG3 GLU 51 2HG GLU 51 -1.162 14.188 -10.572 354 HA PRO 52 HA PRO 52 4.345 14.348 -5.904 355 HB2 PRO 52 1HB PRO 52 6.222 13.743 -7.770 356 HB3 PRO 52 2HB PRO 52 5.481 12.527 -6.723 357 HG2 PRO 52 1HG PRO 52 4.834 13.232 -9.559 358 HG3 PRO 52 2HG PRO 52 4.971 11.632 -8.808 359 HD2 PRO 52 1HD PRO 52 2.584 12.821 -9.276 360 HD3 PRO 52 2HD PRO 52 2.857 11.741 -7.894 361 H GLU 53 H GLU 53 4.604 16.486 -5.728 362 HA GLU 53 HA GLU 53 5.360 17.996 -8.136 363 HB2 GLU 53 1HB GLU 53 3.055 18.557 -7.665 364 HB3 GLU 53 2HB GLU 53 3.435 18.864 -5.976 365 HG2 GLU 53 1HG GLU 53 3.319 20.988 -6.840 366 HG3 GLU 53 2HG GLU 53 5.048 20.654 -6.920 367 H GLY 54 H GLY 54 4.992 18.739 -4.668 368 HA2 GLY 54 1HA GLY 54 7.769 19.741 -4.708 369 HA3 GLY 54 2HA GLY 54 6.504 20.349 -3.650 370 H GLN 55 H GLN 55 5.521 18.550 -2.210 371 HA GLN 55 HA GLN 55 7.283 17.767 -0.312 372 HB2 GLN 55 1HB GLN 55 4.785 16.312 -1.189 373 HB3 GLN 55 2HB GLN 55 5.650 15.968 0.303 374 HG2 GLN 55 1HG GLN 55 4.517 18.667 -0.378 375 HG3 GLN 55 2HG GLN 55 3.647 17.440 0.542 376 HE21 GLN 55 1HE2 GLN 55 4.705 20.166 1.209 377 HE22 GLN 55 2HE2 GLN 55 5.629 19.932 2.650 378 H VAL 56 H VAL 56 6.022 15.455 -2.722 379 HA VAL 56 HA VAL 56 8.521 13.927 -2.426 380 HB VAL 56 HB VAL 56 5.826 12.994 -3.427 381 HG11 VAL 56 1HG1 VAL 56 8.434 11.927 -3.832 382 HG12 VAL 56 2HG1 VAL 56 7.543 10.844 -2.760 383 HG13 VAL 56 3HG1 VAL 56 6.879 11.267 -4.339 384 HG21 VAL 56 1HG2 VAL 56 7.282 12.594 -0.823 385 HG22 VAL 56 2HG2 VAL 56 5.684 13.297 -1.081 386 HG23 VAL 56 3HG2 VAL 56 5.942 11.572 -1.342 387 H GLU 57 H GLU 57 9.906 13.936 -4.064 388 HA GLU 57 HA GLU 57 9.249 15.223 -6.542 389 HB2 GLU 57 1HB GLU 57 11.573 14.794 -7.151 390 HB3 GLU 57 2HB GLU 57 11.470 15.466 -5.530 391 HG2 GLU 57 1HG GLU 57 11.617 12.510 -5.952 392 HG3 GLU 57 2HG GLU 57 13.073 13.504 -5.971 393 HA PRO 58 HA PRO 58 8.024 11.751 -8.936 394 HB2 PRO 58 1HB PRO 58 8.851 12.541 -11.398 395 HB3 PRO 58 2HB PRO 58 7.456 13.253 -10.579 396 HG2 PRO 58 1HG PRO 58 10.259 14.283 -10.789 397 HG3 PRO 58 2HG PRO 58 8.729 15.164 -10.948 398 HD2 PRO 58 1HD PRO 58 10.207 15.210 -8.680 399 HD3 PRO 58 2HD PRO 58 8.435 15.318 -8.667 400 H GLY 59 H GLY 59 9.235 9.988 -8.344 401 HA2 GLY 59 1HA GLY 59 10.759 8.504 -9.817 402 HA3 GLY 59 2HA GLY 59 11.947 9.749 -9.457 403 H ALA 60 H ALA 60 11.463 10.264 -6.809 404 HA ALA 60 HA ALA 60 12.988 8.538 -5.414 405 HB1 ALA 60 1HB ALA 60 10.919 9.285 -3.620 406 HB2 ALA 60 2HB ALA 60 12.527 9.988 -3.802 407 HB3 ALA 60 3HB ALA 60 11.177 10.617 -4.747 408 H LEU 61 H LEU 61 9.422 8.343 -5.394 409 HA LEU 61 HA LEU 61 9.597 5.437 -5.313 410 HB2 LEU 61 1HB LEU 61 9.577 5.848 -2.998 411 HB3 LEU 61 2HB LEU 61 8.381 7.133 -3.156 412 HG LEU 61 HG LEU 61 6.785 5.251 -3.914 413 HD11 LEU 61 1HD1 LEU 61 8.588 3.565 -4.164 414 HD12 LEU 61 2HD1 LEU 61 7.279 3.050 -3.101 415 HD13 LEU 61 3HD1 LEU 61 8.809 3.597 -2.414 416 HD21 LEU 61 1HD2 LEU 61 7.618 6.175 -1.291 417 HD22 LEU 61 2HD2 LEU 61 6.895 4.567 -1.238 418 HD23 LEU 61 3HD2 LEU 61 5.997 5.915 -1.938 419 H ARG 62 H ARG 62 7.914 4.438 -6.306 420 HA ARG 62 HA ARG 62 5.699 6.153 -7.220 421 HB2 ARG 62 1HB ARG 62 6.977 3.846 -8.699 422 HB3 ARG 62 2HB ARG 62 5.616 4.802 -9.269 423 HG2 ARG 62 1HG ARG 62 6.926 6.659 -9.692 424 HG3 ARG 62 2HG ARG 62 8.203 6.131 -8.594 425 HD2 ARG 62 1HD ARG 62 7.584 4.431 -10.953 426 HD3 ARG 62 2HD ARG 62 8.451 5.943 -11.223 427 HE ARG 62 HE ARG 62 9.573 4.331 -9.126 428 HH11 ARG 62 2HH1 ARG 62 9.508 4.923 -12.556 429 HH12 ARG 62 1HH1 ARG 62 11.080 4.248 -12.834 430 HH21 ARG 62 2HH2 ARG 62 11.642 3.440 -9.479 431 HH22 ARG 62 1HH2 ARG 62 12.292 3.404 -11.083 432 H TYR 63 H TYR 63 3.818 5.581 -6.374 433 HA TYR 63 HA TYR 63 3.339 2.731 -5.800 434 HB2 TYR 63 1HB TYR 63 1.881 3.521 -3.909 435 HB3 TYR 63 2HB TYR 63 3.600 3.825 -3.686 436 HD1 TYR 63 1HD TYR 63 4.388 6.212 -4.584 437 HD2 TYR 63 2HD TYR 63 0.418 5.231 -3.409 438 HE1 TYR 63 1HE TYR 63 3.920 8.596 -4.195 439 HE2 TYR 63 2HE TYR 63 -0.061 7.612 -3.018 440 HH TYR 63 HH TYR 63 1.823 9.797 -2.448 441 H ARG 64 H ARG 64 1.235 1.953 -6.125 442 HA ARG 64 HA ARG 64 -0.497 3.722 -7.725 443 HB2 ARG 64 1HB ARG 64 0.453 2.036 -9.162 444 HB3 ARG 64 2HB ARG 64 0.021 0.762 -8.029 445 HG2 ARG 64 1HG ARG 64 -1.646 0.530 -9.566 446 HG3 ARG 64 2HG ARG 64 -2.411 1.658 -8.445 447 HD2 ARG 64 1HD ARG 64 -2.793 2.481 -10.644 448 HD3 ARG 64 2HD ARG 64 -1.579 3.521 -9.900 449 HE ARG 64 HE ARG 64 -1.154 1.614 -12.070 450 HH11 ARG 64 2HH1 ARG 64 0.154 3.959 -9.853 451 HH12 ARG 64 1HH1 ARG 64 1.624 4.174 -10.744 452 HH21 ARG 64 2HH2 ARG 64 0.777 1.889 -13.252 453 HH22 ARG 64 1HH2 ARG 64 1.977 2.997 -12.678 454 H ILE 65 H ILE 65 -2.477 4.049 -6.957 455 HA ILE 65 HA ILE 65 -3.549 2.135 -4.989 456 HB ILE 65 HB ILE 65 -3.948 5.129 -5.006 457 HG12 ILE 65 1HG1 ILE 65 -2.503 3.425 -2.970 458 HG13 ILE 65 2HG1 ILE 65 -1.686 4.294 -4.264 459 HG21 ILE 65 1HG2 ILE 65 -4.756 3.412 -2.724 460 HG22 ILE 65 2HG2 ILE 65 -5.455 4.920 -3.310 461 HG23 ILE 65 3HG2 ILE 65 -5.778 3.409 -4.160 462 HD11 ILE 65 1HD1 ILE 65 -3.254 6.224 -3.072 463 HD12 ILE 65 2HD1 ILE 65 -2.673 5.250 -1.721 464 HD13 ILE 65 3HD1 ILE 65 -1.523 5.982 -2.839 465 H GLU 66 H GLU 66 -5.131 1.042 -5.958 466 HA GLU 66 HA GLU 66 -7.085 2.561 -7.558 467 HB2 GLU 66 1HB GLU 66 -6.101 -0.263 -7.990 468 HB3 GLU 66 2HB GLU 66 -7.453 0.457 -8.852 469 HG2 GLU 66 1HG GLU 66 -4.631 1.499 -8.903 470 HG3 GLU 66 2HG GLU 66 -5.355 0.473 -10.140 471 H GLN 67 H GLN 67 -9.127 2.468 -6.882 472 HA GLN 67 HA GLN 67 -9.885 0.310 -5.025 473 HB2 GLN 67 1HB GLN 67 -9.581 2.545 -3.922 474 HB3 GLN 67 2HB GLN 67 -10.896 3.154 -4.919 475 HG2 GLN 67 1HG GLN 67 -11.324 0.743 -3.217 476 HG3 GLN 67 2HG GLN 67 -11.355 2.350 -2.493 477 HE21 GLN 67 1HE2 GLN 67 -13.171 3.490 -2.606 478 HE22 GLN 67 2HE2 GLN 67 -14.551 3.083 -3.562 479 H LYS 68 H LYS 68 -11.299 -0.976 -5.993 480 HA LYS 68 HA LYS 68 -13.457 0.252 -7.573 481 HB2 LYS 68 1HB LYS 68 -11.577 -1.920 -8.325 482 HB3 LYS 68 2HB LYS 68 -13.258 -2.129 -8.798 483 HG2 LYS 68 1HG LYS 68 -12.448 -1.063 -10.641 484 HG3 LYS 68 2HG LYS 68 -12.972 0.328 -9.689 485 HD2 LYS 68 1HD LYS 68 -10.867 1.022 -10.237 486 HD3 LYS 68 2HD LYS 68 -10.501 0.147 -8.748 487 HE2 LYS 68 1HE LYS 68 -10.468 -1.316 -11.348 488 HE3 LYS 68 2HE LYS 68 -9.109 -0.273 -10.932 489 HZ1 LYS 68 1HZ LYS 68 -9.245 -1.592 -8.697 490 HZ2 LYS 68 2HZ LYS 68 -8.433 -2.241 -10.032 491 HZ3 LYS 68 3HZ LYS 68 -10.000 -2.760 -9.661 492 H GLY 69 H GLY 69 -14.849 0.106 -5.782 493 HA2 GLY 69 1HA GLY 69 -16.406 -0.894 -4.423 494 HA3 GLY 69 2HA GLY 69 -16.428 -2.180 -5.620 495 H LEU 70 H LEU 70 -15.593 -1.315 -2.456 496 HA LEU 70 HA LEU 70 -14.252 -2.314 -0.849 497 HB2 LEU 70 1HB LEU 70 -15.041 -4.800 -0.669 498 HB3 LEU 70 2HB LEU 70 -16.147 -3.472 -0.320 499 HG LEU 70 HG LEU 70 -16.112 -4.571 -3.084 500 HD11 LEU 70 1HD1 LEU 70 -17.591 -6.377 -2.514 501 HD12 LEU 70 2HD1 LEU 70 -17.540 -5.935 -0.807 502 HD13 LEU 70 3HD1 LEU 70 -16.093 -6.556 -1.601 503 HD21 LEU 70 1HD2 LEU 70 -17.627 -2.725 -1.666 504 HD22 LEU 70 2HD2 LEU 70 -18.659 -4.151 -1.778 505 HD23 LEU 70 3HD2 LEU 70 -18.006 -3.416 -3.244 506 H GLN 71 H GLN 71 -12.832 -2.159 -3.306 507 HA GLN 71 HA GLN 71 -11.116 -4.522 -3.007 508 HB2 GLN 71 1HB GLN 71 -12.674 -4.483 -5.107 509 HB3 GLN 71 2HB GLN 71 -11.520 -3.303 -5.714 510 HG2 GLN 71 1HG GLN 71 -9.730 -4.885 -5.572 511 HG3 GLN 71 2HG GLN 71 -10.771 -6.056 -4.762 512 HE21 GLN 71 1HE2 GLN 71 -12.033 -7.372 -5.951 513 HE22 GLN 71 2HE2 GLN 71 -12.101 -7.363 -7.677 514 H HIS 72 H HIS 72 -9.479 -3.522 -1.945 515 HA HIS 72 HA HIS 72 -8.337 -1.094 -3.146 516 HB2 HIS 72 1HB HIS 72 -7.882 -2.256 -0.390 517 HB3 HIS 72 2HB HIS 72 -7.229 -0.735 -0.991 518 HD2 HIS 72 2HD HIS 72 -10.558 -2.182 0.403 519 HE1 HIS 72 1HE HIS 72 -11.061 1.988 -0.190 520 HE2 HIS 72 2HE HIS 72 -12.026 -0.098 0.838 521 H ARG 73 H ARG 73 -6.293 -1.056 -3.920 522 HA ARG 73 HA ARG 73 -4.535 -3.339 -3.432 523 HB2 ARG 73 1HB ARG 73 -6.000 -3.461 -5.640 524 HB3 ARG 73 2HB ARG 73 -4.753 -2.379 -6.247 525 HG2 ARG 73 1HG ARG 73 -3.043 -4.030 -5.670 526 HG3 ARG 73 2HG ARG 73 -4.300 -5.116 -5.075 527 HD2 ARG 73 1HD ARG 73 -5.309 -5.132 -7.325 528 HD3 ARG 73 2HD ARG 73 -3.994 -4.109 -7.901 529 HE ARG 73 HE ARG 73 -2.614 -5.943 -7.932 530 HH11 ARG 73 2HH1 ARG 73 -5.523 -6.703 -6.177 531 HH12 ARG 73 1HH1 ARG 73 -5.176 -8.397 -6.076 532 HH21 ARG 73 2HH2 ARG 73 -2.146 -8.172 -7.806 533 HH22 ARG 73 1HH2 ARG 73 -3.254 -9.232 -7.003 534 H LEU 74 H LEU 74 -2.524 -2.690 -3.027 535 HA LEU 74 HA LEU 74 -1.701 -0.024 -3.975 536 HB2 LEU 74 1HB LEU 74 -1.992 0.128 -1.631 537 HB3 LEU 74 2HB LEU 74 -1.168 -1.406 -1.359 538 HG LEU 74 HG LEU 74 0.919 -0.217 -2.274 539 HD11 LEU 74 1HD1 LEU 74 -0.534 1.740 -3.077 540 HD12 LEU 74 2HD1 LEU 74 0.996 2.110 -2.283 541 HD13 LEU 74 3HD1 LEU 74 -0.518 2.261 -1.392 542 HD21 LEU 74 1HD2 LEU 74 0.350 -0.838 0.132 543 HD22 LEU 74 2HD2 LEU 74 -0.107 0.853 0.339 544 HD23 LEU 74 3HD2 LEU 74 1.547 0.434 -0.109 545 H ILE 75 H ILE 75 -0.402 -0.439 -5.664 546 HA ILE 75 HA ILE 75 1.593 -2.576 -5.430 547 HB ILE 75 HB ILE 75 0.961 -0.988 -7.911 548 HG12 ILE 75 1HG1 ILE 75 -0.267 -3.312 -8.401 549 HG13 ILE 75 2HG1 ILE 75 -0.477 -3.272 -6.654 550 HG21 ILE 75 1HG2 ILE 75 2.688 -3.264 -7.232 551 HG22 ILE 75 2HG2 ILE 75 1.742 -3.456 -8.707 552 HG23 ILE 75 3HG2 ILE 75 2.827 -2.078 -8.530 553 HD11 ILE 75 1HD1 ILE 75 -1.912 -1.516 -6.730 554 HD12 ILE 75 2HD1 ILE 75 -1.181 -0.835 -8.184 555 HD13 ILE 75 3HD1 ILE 75 -2.250 -2.233 -8.305 556 H LEU 76 H LEU 76 3.710 -2.160 -5.253 557 HA LEU 76 HA LEU 76 4.584 0.641 -5.529 558 HB2 LEU 76 1HB LEU 76 5.756 -1.472 -3.729 559 HB3 LEU 76 2HB LEU 76 6.235 0.221 -3.816 560 HG LEU 76 HG LEU 76 3.436 -0.493 -3.044 561 HD11 LEU 76 1HD1 LEU 76 5.902 -0.869 -1.421 562 HD12 LEU 76 2HD1 LEU 76 4.414 -1.814 -1.452 563 HD13 LEU 76 3HD1 LEU 76 4.448 -0.252 -0.636 564 HD21 LEU 76 1HD2 LEU 76 4.583 1.620 -1.553 565 HD22 LEU 76 2HD2 LEU 76 3.318 1.705 -2.779 566 HD23 LEU 76 3HD2 LEU 76 5.012 1.869 -3.246 567 H HIS 77 H HIS 77 5.389 0.627 -7.576 568 HA HIS 77 HA HIS 77 7.051 -1.515 -8.542 569 HB2 HIS 77 1HB HIS 77 6.979 1.104 -9.950 570 HB3 HIS 77 2HB HIS 77 6.884 -0.528 -10.605 571 HD1 HIS 77 1HD HIS 77 4.595 -1.439 -11.097 572 HD2 HIS 77 2HD HIS 77 4.480 2.074 -8.882 573 HE1 HIS 77 1HE HIS 77 2.172 -0.767 -11.027 574 HE2 HIS 77 2HE HIS 77 2.138 1.406 -9.754 575 H ALA 78 H ALA 78 9.175 -1.703 -8.299 576 HA ALA 78 HA ALA 78 11.384 -1.166 -8.039 577 HB1 ALA 78 1HB ALA 78 12.073 0.729 -8.987 578 HB2 ALA 78 2HB ALA 78 10.369 1.078 -9.283 579 HB3 ALA 78 3HB ALA 78 11.165 1.723 -7.848 580 H VAL 79 H VAL 79 10.170 -1.958 -5.853 581 HA VAL 79 HA VAL 79 10.062 -0.143 -3.693 582 HB VAL 79 HB VAL 79 10.140 -2.169 -2.248 583 HG11 VAL 79 1HG1 VAL 79 7.994 -2.941 -2.837 584 HG12 VAL 79 2HG1 VAL 79 8.060 -1.270 -3.399 585 HG13 VAL 79 3HG1 VAL 79 8.251 -2.595 -4.547 586 HG21 VAL 79 1HG2 VAL 79 11.672 -3.464 -3.714 587 HG22 VAL 79 2HG2 VAL 79 10.241 -4.367 -3.218 588 HG23 VAL 79 3HG2 VAL 79 10.337 -3.691 -4.844 589 H LYS 80 H LYS 80 11.483 -0.852 -1.635 590 HA LYS 80 HA LYS 80 14.303 -0.926 -2.463 591 HB2 LYS 80 1HB LYS 80 13.219 0.881 -0.299 592 HB3 LYS 80 2HB LYS 80 14.873 0.816 -0.894 593 HG2 LYS 80 1HG LYS 80 12.472 1.691 -2.488 594 HG3 LYS 80 2HG LYS 80 13.667 2.759 -1.749 595 HD2 LYS 80 1HD LYS 80 14.445 0.622 -3.714 596 HD3 LYS 80 2HD LYS 80 13.933 2.228 -4.237 597 HE2 LYS 80 1HE LYS 80 16.165 2.618 -4.093 598 HE3 LYS 80 2HE LYS 80 15.735 2.954 -2.416 599 HZ1 LYS 80 1HZ LYS 80 17.695 1.396 -2.893 600 HZ2 LYS 80 2HZ LYS 80 16.517 0.236 -3.249 601 HZ3 LYS 80 3HZ LYS 80 16.578 0.934 -1.710 602 H HIS 81 H HIS 81 15.737 -1.877 -0.997 603 HA HIS 81 HA HIS 81 14.569 -3.873 0.696 604 HB2 HIS 81 1HB HIS 81 16.559 -4.440 -0.540 605 HB3 HIS 81 2HB HIS 81 17.442 -3.093 0.172 606 HD1 HIS 81 1HD HIS 81 16.062 -6.487 1.039 607 HD2 HIS 81 2HD HIS 81 18.592 -3.601 2.630 608 HE1 HIS 81 1HE HIS 81 17.157 -7.574 3.025 609 HE2 HIS 81 2HE HIS 81 18.619 -5.781 4.022 610 H GLN 82 H GLN 82 16.144 -0.781 1.162 611 HA GLN 82 HA GLN 82 16.786 -0.894 3.849 612 HB2 GLN 82 1HB GLN 82 16.535 1.559 3.857 613 HB3 GLN 82 2HB GLN 82 17.421 0.986 2.450 614 HG2 GLN 82 1HG GLN 82 15.605 1.376 1.013 615 HG3 GLN 82 2HG GLN 82 14.479 1.559 2.357 616 HE21 GLN 82 1HE2 GLN 82 17.170 3.037 0.666 617 HE22 GLN 82 2HE2 GLN 82 16.850 4.655 1.179 618 H ASP 83 H ASP 83 13.682 -0.777 2.350 619 HA ASP 83 HA ASP 83 12.380 -0.182 4.912 620 HB2 ASP 83 1HB ASP 83 11.817 0.937 2.580 621 HB3 ASP 83 2HB ASP 83 10.838 -0.513 2.374 622 H SER 84 H SER 84 13.676 -2.762 4.095 623 HA SER 84 HA SER 84 11.906 -4.762 3.439 624 HB2 SER 84 1HB SER 84 14.313 -5.145 3.713 625 HB3 SER 84 2HB SER 84 14.163 -4.912 5.454 626 HG SER 84 HG SER 84 14.150 -7.153 4.646 627 H GLY 85 H GLY 85 10.778 -6.343 4.739 628 HA2 GLY 85 1HA GLY 85 9.096 -6.805 6.243 629 HA3 GLY 85 2HA GLY 85 10.290 -6.308 7.433 630 H ALA 86 H ALA 86 8.641 -4.360 4.973 631 HA ALA 86 HA ALA 86 8.083 -2.277 6.827 632 HB1 ALA 86 1HB ALA 86 7.221 -1.085 5.033 633 HB2 ALA 86 2HB ALA 86 8.405 -2.146 4.268 634 HB3 ALA 86 3HB ALA 86 6.688 -2.541 4.193 635 H LEU 87 H LEU 87 5.790 -1.374 7.003 636 HA LEU 87 HA LEU 87 3.949 -3.592 7.609 637 HB2 LEU 87 1HB LEU 87 4.965 -1.944 9.423 638 HB3 LEU 87 2HB LEU 87 3.626 -0.931 8.889 639 HG LEU 87 HG LEU 87 2.909 -2.104 10.826 640 HD11 LEU 87 1HD1 LEU 87 1.748 -3.614 8.497 641 HD12 LEU 87 2HD1 LEU 87 1.338 -1.941 8.876 642 HD13 LEU 87 3HD1 LEU 87 0.973 -3.222 10.032 643 HD21 LEU 87 1HD2 LEU 87 3.992 -3.983 11.344 644 HD22 LEU 87 2HD2 LEU 87 4.464 -4.269 9.669 645 HD23 LEU 87 3HD2 LEU 87 2.883 -4.801 10.243 646 H VAL 88 H VAL 88 2.706 -3.681 5.803 647 HA VAL 88 HA VAL 88 1.482 -1.195 4.831 648 HB VAL 88 HB VAL 88 1.423 -3.901 3.497 649 HG11 VAL 88 1HG1 VAL 88 0.152 -1.385 2.972 650 HG12 VAL 88 2HG1 VAL 88 1.242 -1.798 1.647 651 HG13 VAL 88 3HG1 VAL 88 -0.028 -2.924 2.130 652 HG21 VAL 88 1HG2 VAL 88 3.453 -3.580 2.624 653 HG22 VAL 88 2HG2 VAL 88 3.132 -1.879 2.285 654 HG23 VAL 88 3HG2 VAL 88 3.679 -2.371 3.888 655 H GLY 89 H GLY 89 -0.426 -0.742 5.714 656 HA2 GLY 89 1HA GLY 89 -2.404 -2.909 5.923 657 HA3 GLY 89 2HA GLY 89 -2.099 -1.889 7.321 658 H PHE 90 H PHE 90 -4.625 -2.127 6.198 659 HA PHE 90 HA PHE 90 -4.994 0.531 4.981 660 HB2 PHE 90 1HB PHE 90 -5.657 -0.961 3.298 661 HB3 PHE 90 2HB PHE 90 -6.390 -2.075 4.447 662 HD1 PHE 90 2HD PHE 90 -6.791 1.200 2.792 663 HD2 PHE 90 1HD PHE 90 -8.653 -1.877 5.069 664 HE1 PHE 90 2HE PHE 90 -8.988 2.229 2.381 665 HE2 PHE 90 1HE PHE 90 -10.853 -0.853 4.661 666 HZ PHE 90 HZ PHE 90 -11.022 1.204 3.316 667 H SER 91 H SER 91 -5.675 1.845 6.547 668 HA SER 91 HA SER 91 -7.444 0.837 8.636 669 HB2 SER 91 1HB SER 91 -7.014 2.955 9.768 670 HB3 SER 91 2HB SER 91 -5.489 2.227 9.263 671 HG SER 91 HG SER 91 -5.734 3.625 7.335 672 H CYS 92 H CYS 92 -9.566 1.188 8.676 673 HA CYS 92 HA CYS 92 -10.715 3.465 7.279 674 HB2 CYS 92 1HB CYS 92 -11.942 2.324 5.721 675 HB3 CYS 92 2HB CYS 92 -10.562 1.238 5.824 676 HG CYS 92 HG CYS 92 -13.483 0.784 7.550 677 HA PRO 93 HA PRO 93 -13.554 3.479 10.623 678 HB2 PRO 93 1HB PRO 93 -15.799 4.444 9.440 679 HB3 PRO 93 2HB PRO 93 -14.380 5.446 9.771 680 HG2 PRO 93 1HG PRO 93 -15.221 4.138 7.213 681 HG3 PRO 93 2HG PRO 93 -14.580 5.770 7.477 682 HD2 PRO 93 1HD PRO 93 -13.047 3.732 6.563 683 HD3 PRO 93 2HD PRO 93 -12.399 5.031 7.585 684 H GLY 94 H GLY 94 -13.506 1.058 10.640 685 HA2 GLY 94 1HA GLY 94 -15.724 -0.218 11.209 686 HA3 GLY 94 2HA GLY 94 -15.879 -0.191 9.459 687 H VAL 95 H VAL 95 -12.773 -0.359 9.504 688 HA VAL 95 HA VAL 95 -12.457 -3.156 10.286 689 HB VAL 95 HB VAL 95 -12.000 -2.143 7.479 690 HG11 VAL 95 1HG1 VAL 95 -10.103 -3.504 8.167 691 HG12 VAL 95 2HG1 VAL 95 -11.196 -4.785 8.693 692 HG13 VAL 95 3HG1 VAL 95 -11.088 -4.363 6.983 693 HG21 VAL 95 1HG2 VAL 95 -14.307 -2.913 8.229 694 HG22 VAL 95 2HG2 VAL 95 -13.632 -3.698 6.801 695 HG23 VAL 95 3HG2 VAL 95 -13.606 -4.527 8.358 696 H GLN 96 H GLN 96 -10.341 -3.764 10.712 697 HA GLN 96 HA GLN 96 -8.213 -1.818 10.267 698 HB2 GLN 96 1HB GLN 96 -8.873 -2.914 13.006 699 HB3 GLN 96 2HB GLN 96 -7.489 -1.904 12.611 700 HG2 GLN 96 1HG GLN 96 -8.876 -0.310 13.419 701 HG3 GLN 96 2HG GLN 96 -9.384 -0.284 11.731 702 HE21 GLN 96 1HE2 GLN 96 -10.937 0.569 13.937 703 HE22 GLN 96 2HE2 GLN 96 -12.327 -0.452 14.029 704 H ASP 97 H ASP 97 -6.857 -3.038 9.110 705 HA ASP 97 HA ASP 97 -5.702 -5.387 10.357 706 HB2 ASP 97 1HB ASP 97 -7.766 -5.966 8.797 707 HB3 ASP 97 2HB ASP 97 -6.563 -5.769 7.524 708 H SER 98 H SER 98 -3.761 -6.138 9.229 709 HA SER 98 HA SER 98 -2.642 -4.440 7.177 710 HB2 SER 98 1HB SER 98 -1.333 -4.545 9.905 711 HB3 SER 98 2HB SER 98 -0.695 -3.731 8.477 712 HG SER 98 HG SER 98 -3.124 -3.108 9.810 713 H ALA 99 H ALA 99 -0.229 -5.126 6.840 714 HA ALA 99 HA ALA 99 0.168 -7.964 7.422 715 HB1 ALA 99 1HB ALA 99 -0.675 -8.442 5.384 716 HB2 ALA 99 2HB ALA 99 -0.383 -6.818 4.762 717 HB3 ALA 99 3HB ALA 99 0.941 -7.980 4.848 718 H ALA 100 H ALA 100 2.386 -8.619 6.296 719 HA ALA 100 HA ALA 100 4.313 -6.501 6.998 720 HB1 ALA 100 1HB ALA 100 5.760 -8.087 7.891 721 HB2 ALA 100 2HB ALA 100 4.171 -8.647 8.412 722 HB3 ALA 100 3HB ALA 100 4.974 -9.422 7.047 723 H LEU 101 H LEU 101 5.637 -5.801 5.452 724 HA LEU 101 HA LEU 101 5.721 -7.282 2.920 725 HB2 LEU 101 1HB LEU 101 4.939 -5.043 2.662 726 HB3 LEU 101 2HB LEU 101 6.287 -4.405 3.600 727 HG LEU 101 HG LEU 101 7.811 -5.159 1.760 728 HD11 LEU 101 1HD1 LEU 101 6.094 -5.227 -0.411 729 HD12 LEU 101 2HD1 LEU 101 5.320 -6.265 0.785 730 HD13 LEU 101 3HD1 LEU 101 6.977 -6.589 0.277 731 HD21 LEU 101 1HD2 LEU 101 5.699 -3.075 1.407 732 HD22 LEU 101 2HD2 LEU 101 6.875 -3.365 0.124 733 HD23 LEU 101 3HD2 LEU 101 7.422 -2.884 1.731 734 H THR 102 H THR 102 7.415 -8.589 2.743 735 HA THR 102 HA THR 102 9.934 -7.899 4.053 736 HB THR 102 HB THR 102 9.064 -10.446 2.675 737 HG1 THR 102 1HG THR 102 9.215 -9.594 5.368 738 HG21 THR 102 1HG2 THR 102 11.307 -10.702 2.439 739 HG22 THR 102 2HG2 THR 102 11.203 -11.165 4.138 740 HG23 THR 102 3HG2 THR 102 11.681 -9.526 3.698 741 H ILE 103 H ILE 103 11.767 -7.376 2.991 742 HA ILE 103 HA ILE 103 11.802 -7.594 0.063 743 HB ILE 103 HB ILE 103 12.683 -5.128 1.565 744 HG12 ILE 103 1HG1 ILE 103 10.299 -5.455 -0.266 745 HG13 ILE 103 2HG1 ILE 103 10.197 -5.478 1.491 746 HG21 ILE 103 1HG2 ILE 103 12.422 -5.585 -1.402 747 HG22 ILE 103 2HG2 ILE 103 13.055 -4.151 -0.596 748 HG23 ILE 103 3HG2 ILE 103 13.939 -5.674 -0.508 749 HD11 ILE 103 1HD1 ILE 103 10.842 -3.201 -0.329 750 HD12 ILE 103 2HD1 ILE 103 9.631 -3.305 0.950 751 HD13 ILE 103 3HD1 ILE 103 11.341 -3.176 1.362 752 H GLN 104 H GLN 104 13.516 -8.740 -0.513 753 HA GLN 104 HA GLN 104 15.838 -8.851 1.260 754 HB2 GLN 104 1HB GLN 104 14.886 -10.565 -1.021 755 HB3 GLN 104 2HB GLN 104 16.524 -10.702 -0.395 756 HG2 GLN 104 1HG GLN 104 14.072 -10.986 1.318 757 HG3 GLN 104 2HG GLN 104 14.867 -12.342 0.522 758 HE21 GLN 104 1HE2 GLN 104 15.295 -13.279 2.544 759 HE22 GLN 104 2HE2 GLN 104 16.560 -12.688 3.562 760 H GLU 105 H GLU 105 17.993 -8.662 0.408 761 HA GLU 105 HA GLU 105 18.276 -6.432 -1.346 762 HB2 GLU 105 1HB GLU 105 20.191 -8.257 0.070 763 HB3 GLU 105 2HB GLU 105 20.780 -7.127 -1.140 764 HG2 GLU 105 1HG GLU 105 19.632 -5.307 0.172 765 HG3 GLU 105 2HG GLU 105 19.386 -6.502 1.444 766 H SER 106 H SER 106 19.403 -6.366 -3.353 767 HA SER 106 HA SER 106 19.083 -8.841 -4.906 768 HB2 SER 106 1HB SER 106 18.949 -7.412 -6.882 769 HB3 SER 106 2HB SER 106 17.778 -6.882 -5.674 770 HG SER 106 HG SER 106 20.326 -5.721 -5.678 771 H SER 107 H SER 107 21.360 -8.529 -3.270 772 HA SER 107 HA SER 107 23.454 -8.412 -5.332 773 HB2 SER 107 1HB SER 107 23.689 -7.332 -2.512 774 HB3 SER 107 2HB SER 107 24.995 -7.400 -3.696 775 HG SER 107 HG SER 107 23.450 -5.410 -3.375 776 H GLY 108 H GLY 108 24.990 -9.993 -5.243 777 HA2 GLY 108 1HA GLY 108 24.378 -12.388 -3.891 778 HA3 GLY 108 2HA GLY 108 25.888 -12.040 -4.721 779 HA PRO 109 HA PRO 109 26.743 -12.479 -0.174 780 HB2 PRO 109 1HB PRO 109 28.831 -14.186 -0.483 781 HB3 PRO 109 2HB PRO 109 27.153 -14.731 -0.373 782 HG2 PRO 109 1HG PRO 109 28.861 -14.339 -2.800 783 HG3 PRO 109 2HG PRO 109 27.749 -15.666 -2.417 784 HD2 PRO 109 1HD PRO 109 27.083 -13.643 -4.089 785 HD3 PRO 109 2HD PRO 109 25.891 -14.461 -3.058 786 H SER 110 H SER 110 28.207 -11.218 -2.904 787 HA SER 110 HA SER 110 30.815 -10.659 -1.993 788 HB2 SER 110 1HB SER 110 30.064 -10.480 -4.369 789 HB3 SER 110 2HB SER 110 29.164 -9.027 -3.936 790 HG SER 110 HG SER 110 31.961 -9.436 -3.917 791 H SER 111 H SER 111 27.855 -8.685 -1.958 792 HA SER 111 HA SER 111 29.126 -6.591 -0.440 793 HB2 SER 111 1HB SER 111 27.286 -6.216 -2.133 794 HB3 SER 111 2HB SER 111 26.170 -6.938 -0.974 795 HG SER 111 HG SER 111 27.813 -4.889 -0.052 796 H GLY 112 H GLY 112 28.828 -6.087 1.707 797 HA2 GLY 112 1HA GLY 112 26.951 -7.272 3.428 798 HA3 GLY 112 2HA GLY 112 28.438 -8.205 3.509 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -27.508 -1.149 12.001 2 HA2 GLY 1 1HA GLY 1 -27.709 -0.997 9.101 3 HA3 GLY 1 2HA GLY 1 -28.506 0.058 10.259 4 H SER 2 H SER 2 -27.915 1.982 9.326 5 HA SER 2 HA SER 2 -25.157 2.787 9.780 6 HB2 SER 2 1HB SER 2 -25.040 3.832 7.486 7 HB3 SER 2 2HB SER 2 -24.993 2.069 7.496 8 HG SER 2 HG SER 2 -26.721 2.092 6.321 9 H SER 3 H SER 3 -24.896 5.184 9.395 10 HA SER 3 HA SER 3 -27.343 6.553 10.284 11 HB2 SER 3 1HB SER 3 -24.441 6.944 10.884 12 HB3 SER 3 2HB SER 3 -25.510 8.345 10.940 13 HG SER 3 HG SER 3 -26.044 7.656 12.842 14 H GLY 4 H GLY 4 -28.304 7.254 8.441 15 HA2 GLY 4 1HA GLY 4 -28.681 8.714 6.700 16 HA3 GLY 4 2HA GLY 4 -27.159 9.496 7.100 17 H SER 5 H SER 5 -25.744 9.473 5.500 18 HA SER 5 HA SER 5 -25.961 7.412 3.435 19 HB2 SER 5 1HB SER 5 -25.828 9.983 3.000 20 HB3 SER 5 2HB SER 5 -24.100 9.764 3.277 21 HG SER 5 HG SER 5 -25.331 7.979 1.538 22 H SER 6 H SER 6 -23.303 9.101 5.117 23 HA SER 6 HA SER 6 -21.370 7.134 4.495 24 HB2 SER 6 1HB SER 6 -21.278 9.103 6.790 25 HB3 SER 6 2HB SER 6 -19.908 8.325 5.998 26 HG SER 6 HG SER 6 -20.357 10.521 5.305 27 H GLY 7 H GLY 7 -20.042 6.209 6.496 28 HA2 GLY 7 1HA GLY 7 -21.184 5.431 8.865 29 HA3 GLY 7 2HA GLY 7 -21.773 4.263 7.691 30 H THR 8 H THR 8 -20.695 2.471 8.348 31 HA THR 8 HA THR 8 -17.804 2.474 7.913 32 HB THR 8 HB THR 8 -17.441 1.104 9.964 33 HG1 THR 8 1HG THR 8 -19.097 1.103 11.534 34 HG21 THR 8 1HG2 THR 8 -18.618 3.818 10.566 35 HG22 THR 8 2HG2 THR 8 -17.010 3.561 9.889 36 HG23 THR 8 3HG2 THR 8 -17.397 2.955 11.499 37 H ALA 9 H ALA 9 -16.921 0.397 7.466 38 HA ALA 9 HA ALA 9 -18.946 -1.614 6.726 39 HB1 ALA 9 1HB ALA 9 -16.408 -1.758 5.284 40 HB2 ALA 9 2HB ALA 9 -18.065 -1.832 4.681 41 HB3 ALA 9 3HB ALA 9 -17.311 -0.269 5.000 42 H ARG 10 H ARG 10 -17.854 -3.848 6.415 43 HA ARG 10 HA ARG 10 -16.081 -4.314 8.722 44 HB2 ARG 10 1HB ARG 10 -18.264 -6.045 7.558 45 HB3 ARG 10 2HB ARG 10 -17.097 -6.626 8.738 46 HG2 ARG 10 1HG ARG 10 -17.890 -4.697 10.210 47 HG3 ARG 10 2HG ARG 10 -19.247 -4.569 9.089 48 HD2 ARG 10 1HD ARG 10 -18.538 -7.213 10.291 49 HD3 ARG 10 2HD ARG 10 -19.461 -6.039 11.228 50 HE ARG 10 HE ARG 10 -21.277 -6.396 9.853 51 HH11 ARG 10 2HH1 ARG 10 -18.453 -7.946 8.533 52 HH12 ARG 10 1HH1 ARG 10 -19.340 -8.843 7.345 53 HH21 ARG 10 2HH2 ARG 10 -22.456 -7.571 8.293 54 HH22 ARG 10 1HH2 ARG 10 -21.617 -8.628 7.209 55 H LEU 11 H LEU 11 -14.382 -5.770 8.510 56 HA LEU 11 HA LEU 11 -13.222 -5.944 5.919 57 HB2 LEU 11 1HB LEU 11 -11.822 -5.719 7.859 58 HB3 LEU 11 2HB LEU 11 -12.466 -7.208 8.547 59 HG LEU 11 HG LEU 11 -11.388 -8.490 6.750 60 HD11 LEU 11 1HD1 LEU 11 -9.836 -7.441 5.229 61 HD12 LEU 11 2HD1 LEU 11 -10.167 -5.858 5.931 62 HD13 LEU 11 3HD1 LEU 11 -11.430 -6.710 5.043 63 HD21 LEU 11 1HD2 LEU 11 -9.817 -6.735 8.575 64 HD22 LEU 11 2HD2 LEU 11 -8.959 -7.752 7.417 65 HD23 LEU 11 3HD2 LEU 11 -10.039 -8.485 8.605 66 H VAL 12 H VAL 12 -13.234 -7.549 4.460 67 HA VAL 12 HA VAL 12 -14.687 -10.013 5.169 68 HB VAL 12 HB VAL 12 -14.311 -8.818 2.419 69 HG11 VAL 12 1HG1 VAL 12 -15.480 -11.334 3.437 70 HG12 VAL 12 2HG1 VAL 12 -16.380 -10.499 2.170 71 HG13 VAL 12 3HG1 VAL 12 -14.707 -10.984 1.892 72 HG21 VAL 12 1HG2 VAL 12 -16.749 -8.819 4.197 73 HG22 VAL 12 2HG2 VAL 12 -15.744 -7.417 3.827 74 HG23 VAL 12 3HG2 VAL 12 -16.669 -8.202 2.547 75 H ALA 13 H ALA 13 -11.840 -8.707 3.570 76 HA ALA 13 HA ALA 13 -10.522 -11.289 3.873 77 HB1 ALA 13 1HB ALA 13 -9.922 -11.586 1.653 78 HB2 ALA 13 2HB ALA 13 -11.594 -11.036 1.534 79 HB3 ALA 13 3HB ALA 13 -10.271 -9.910 1.229 80 H GLY 14 H GLY 14 -8.896 -10.691 5.173 81 HA2 GLY 14 1HA GLY 14 -7.689 -8.117 5.131 82 HA3 GLY 14 2HA GLY 14 -7.100 -9.521 6.008 83 H LEU 15 H LEU 15 -5.408 -7.676 4.758 84 HA LEU 15 HA LEU 15 -4.589 -8.443 2.177 85 HB2 LEU 15 1HB LEU 15 -3.015 -7.160 4.404 86 HB3 LEU 15 2HB LEU 15 -2.482 -7.277 2.728 87 HG LEU 15 HG LEU 15 -4.754 -5.990 2.292 88 HD11 LEU 15 1HD1 LEU 15 -5.666 -5.840 4.430 89 HD12 LEU 15 2HD1 LEU 15 -4.928 -4.258 4.177 90 HD13 LEU 15 3HD1 LEU 15 -4.110 -5.464 5.172 91 HD21 LEU 15 1HD2 LEU 15 -2.175 -5.358 2.095 92 HD22 LEU 15 2HD2 LEU 15 -2.621 -4.256 3.399 93 HD23 LEU 15 3HD2 LEU 15 -3.462 -4.177 1.850 94 H GLU 16 H GLU 16 -2.090 -9.123 1.981 95 HA GLU 16 HA GLU 16 -1.589 -11.430 3.719 96 HB2 GLU 16 1HB GLU 16 -1.211 -12.914 1.894 97 HB3 GLU 16 2HB GLU 16 -2.772 -12.154 1.620 98 HG2 GLU 16 1HG GLU 16 -1.704 -10.586 0.052 99 HG3 GLU 16 2HG GLU 16 -0.173 -11.426 0.289 100 H ASP 17 H ASP 17 0.557 -11.936 4.031 101 HA ASP 17 HA ASP 17 2.432 -9.853 3.716 102 HB2 ASP 17 1HB ASP 17 4.095 -11.597 4.479 103 HB3 ASP 17 2HB ASP 17 2.716 -11.356 5.547 104 H VAL 18 H VAL 18 4.179 -9.608 2.350 105 HA VAL 18 HA VAL 18 4.495 -11.526 0.159 106 HB VAL 18 HB VAL 18 4.157 -8.554 -0.267 107 HG11 VAL 18 1HG1 VAL 18 5.836 -9.628 -1.743 108 HG12 VAL 18 2HG1 VAL 18 4.581 -10.733 -2.307 109 HG13 VAL 18 3HG1 VAL 18 4.437 -9.002 -2.614 110 HG21 VAL 18 1HG2 VAL 18 2.375 -10.290 -1.739 111 HG22 VAL 18 2HG2 VAL 18 2.206 -10.518 0.001 112 HG23 VAL 18 3HG2 VAL 18 2.002 -8.914 -0.702 113 H GLN 19 H GLN 19 6.559 -11.738 -0.582 114 HA GLN 19 HA GLN 19 8.583 -9.849 0.385 115 HB2 GLN 19 1HB GLN 19 9.943 -11.476 1.333 116 HB3 GLN 19 2HB GLN 19 8.335 -12.000 1.815 117 HG2 GLN 19 1HG GLN 19 8.333 -13.569 -0.110 118 HG3 GLN 19 2HG GLN 19 10.006 -13.111 -0.426 119 HE21 GLN 19 1HE2 GLN 19 8.194 -13.830 2.538 120 HE22 GLN 19 2HE2 GLN 19 9.271 -15.057 3.103 121 H VAL 20 H VAL 20 9.825 -9.172 -1.224 122 HA VAL 20 HA VAL 20 10.355 -10.988 -3.476 123 HB VAL 20 HB VAL 20 10.158 -9.095 -5.048 124 HG11 VAL 20 1HG1 VAL 20 7.489 -8.945 -3.946 125 HG12 VAL 20 2HG1 VAL 20 8.054 -9.718 -5.428 126 HG13 VAL 20 3HG1 VAL 20 8.118 -10.591 -3.897 127 HG21 VAL 20 1HG2 VAL 20 10.490 -7.147 -3.847 128 HG22 VAL 20 2HG2 VAL 20 8.744 -7.128 -4.097 129 HG23 VAL 20 3HG2 VAL 20 9.407 -7.641 -2.546 130 H TYR 21 H TYR 21 12.200 -10.210 -4.839 131 HA TYR 21 HA TYR 21 14.414 -9.563 -3.129 132 HB2 TYR 21 1HB TYR 21 14.134 -10.222 -6.048 133 HB3 TYR 21 2HB TYR 21 15.665 -9.647 -5.395 134 HD1 TYR 21 1HD TYR 21 13.066 -12.098 -4.271 135 HD2 TYR 21 2HD TYR 21 17.177 -11.350 -5.073 136 HE1 TYR 21 1HE TYR 21 13.615 -14.388 -3.562 137 HE2 TYR 21 2HE TYR 21 17.737 -13.638 -4.367 138 HH TYR 21 HH TYR 21 15.295 -16.020 -3.747 139 H ASP 22 H ASP 22 16.081 -7.935 -3.980 140 HA ASP 22 HA ASP 22 15.060 -5.362 -3.760 141 HB2 ASP 22 1HB ASP 22 17.353 -5.644 -3.280 142 HB3 ASP 22 2HB ASP 22 17.670 -6.411 -4.834 143 H GLY 23 H GLY 23 14.445 -3.788 -5.179 144 HA2 GLY 23 1HA GLY 23 13.993 -2.776 -7.219 145 HA3 GLY 23 2HA GLY 23 14.787 -4.119 -8.028 146 H GLU 24 H GLU 24 13.187 -6.169 -6.758 147 HA GLU 24 HA GLU 24 11.189 -6.524 -8.612 148 HB2 GLU 24 1HB GLU 24 11.174 -7.525 -5.760 149 HB3 GLU 24 2HB GLU 24 10.234 -8.188 -7.089 150 HG2 GLU 24 1HG GLU 24 13.219 -8.238 -6.751 151 HG3 GLU 24 2HG GLU 24 12.107 -9.605 -6.736 152 H ASP 25 H ASP 25 8.780 -6.736 -8.051 153 HA ASP 25 HA ASP 25 7.922 -4.257 -6.709 154 HB2 ASP 25 1HB ASP 25 5.844 -4.595 -8.240 155 HB3 ASP 25 2HB ASP 25 7.322 -3.936 -8.935 156 H ALA 26 H ALA 26 6.381 -4.358 -5.163 157 HA ALA 26 HA ALA 26 5.516 -7.031 -4.340 158 HB1 ALA 26 1HB ALA 26 4.689 -5.436 -2.331 159 HB2 ALA 26 2HB ALA 26 6.298 -6.155 -2.416 160 HB3 ALA 26 3HB ALA 26 6.046 -4.492 -2.946 161 H VAL 27 H VAL 27 3.326 -7.433 -3.729 162 HA VAL 27 HA VAL 27 1.363 -5.566 -4.880 163 HB VAL 27 HB VAL 27 1.275 -8.573 -5.160 164 HG11 VAL 27 1HG1 VAL 27 -0.912 -8.274 -5.436 165 HG12 VAL 27 2HG1 VAL 27 -0.741 -6.518 -5.397 166 HG13 VAL 27 3HG1 VAL 27 -0.532 -7.392 -6.915 167 HG21 VAL 27 1HG2 VAL 27 2.972 -7.329 -6.571 168 HG22 VAL 27 2HG2 VAL 27 1.794 -8.304 -7.449 169 HG23 VAL 27 3HG2 VAL 27 1.601 -6.553 -7.364 170 H PHE 28 H PHE 28 -0.410 -5.197 -3.672 171 HA PHE 28 HA PHE 28 -1.094 -7.022 -1.502 172 HB2 PHE 28 1HB PHE 28 -0.564 -4.078 -1.050 173 HB3 PHE 28 2HB PHE 28 -1.185 -5.205 0.151 174 HD1 PHE 28 1HD PHE 28 0.331 -7.341 0.517 175 HD2 PHE 28 2HD PHE 28 1.682 -3.622 -1.052 176 HE1 PHE 28 1HE PHE 28 2.633 -7.900 1.183 177 HE2 PHE 28 2HE PHE 28 3.986 -4.176 -0.389 178 HZ PHE 28 HZ PHE 28 4.464 -6.317 0.730 179 H SER 29 H SER 29 -3.241 -6.909 -0.840 180 HA SER 29 HA SER 29 -5.034 -4.871 -1.678 181 HB2 SER 29 1HB SER 29 -6.377 -6.230 -3.257 182 HB3 SER 29 2HB SER 29 -4.753 -5.913 -3.867 183 HG SER 29 HG SER 29 -4.263 -7.976 -3.683 184 H LEU 30 H LEU 30 -7.317 -5.438 -1.162 185 HA LEU 30 HA LEU 30 -7.695 -7.725 0.585 186 HB2 LEU 30 1HB LEU 30 -8.407 -6.455 2.486 187 HB3 LEU 30 2HB LEU 30 -6.778 -5.952 2.039 188 HG LEU 30 HG LEU 30 -8.153 -4.073 0.737 189 HD11 LEU 30 1HD1 LEU 30 -10.214 -5.335 1.992 190 HD12 LEU 30 2HD1 LEU 30 -10.232 -3.656 1.454 191 HD13 LEU 30 3HD1 LEU 30 -9.837 -4.041 3.129 192 HD21 LEU 30 1HD2 LEU 30 -7.090 -2.746 2.175 193 HD22 LEU 30 2HD2 LEU 30 -6.567 -4.216 2.998 194 HD23 LEU 30 3HD2 LEU 30 -8.012 -3.365 3.546 195 H ASP 31 H ASP 31 -10.033 -7.650 1.491 196 HA ASP 31 HA ASP 31 -11.828 -6.545 -0.566 197 HB2 ASP 31 1HB ASP 31 -12.134 -9.226 0.802 198 HB3 ASP 31 2HB ASP 31 -13.196 -8.555 -0.433 199 H LEU 32 H LEU 32 -14.001 -6.106 0.136 200 HA LEU 32 HA LEU 32 -14.337 -5.894 3.046 201 HB2 LEU 32 1HB LEU 32 -14.982 -3.714 1.066 202 HB3 LEU 32 2HB LEU 32 -15.274 -3.660 2.803 203 HG LEU 32 HG LEU 32 -12.547 -3.802 1.518 204 HD11 LEU 32 1HD1 LEU 32 -12.799 -1.634 1.106 205 HD12 LEU 32 2HD1 LEU 32 -12.839 -1.383 2.851 206 HD13 LEU 32 3HD1 LEU 32 -14.345 -1.583 1.954 207 HD21 LEU 32 1HD2 LEU 32 -13.257 -3.125 4.362 208 HD22 LEU 32 2HD2 LEU 32 -11.663 -3.459 3.684 209 HD23 LEU 32 3HD2 LEU 32 -12.847 -4.759 3.839 210 H SER 33 H SER 33 -16.648 -5.375 3.629 211 HA SER 33 HA SER 33 -18.369 -7.205 2.222 212 HB2 SER 33 1HB SER 33 -18.220 -6.729 4.793 213 HB3 SER 33 2HB SER 33 -19.326 -5.405 4.425 214 HG SER 33 HG SER 33 -19.745 -8.146 3.808 215 H THR 34 H THR 34 -17.969 -3.750 2.470 216 HA THR 34 HA THR 34 -19.881 -3.390 0.299 217 HB THR 34 HB THR 34 -21.102 -3.047 2.499 218 HG1 THR 34 1HG THR 34 -21.887 -0.876 1.682 219 HG21 THR 34 1HG2 THR 34 -20.155 -1.754 4.046 220 HG22 THR 34 2HG2 THR 34 -20.363 -0.371 2.971 221 HG23 THR 34 3HG2 THR 34 -18.866 -1.303 2.931 222 H ILE 35 H ILE 35 -19.899 -0.910 -0.278 223 HA ILE 35 HA ILE 35 -17.195 -0.243 -0.932 224 HB ILE 35 HB ILE 35 -19.694 1.406 -1.328 225 HG12 ILE 35 1HG1 ILE 35 -18.319 -0.278 -3.410 226 HG13 ILE 35 2HG1 ILE 35 -19.575 -0.948 -2.376 227 HG21 ILE 35 1HG2 ILE 35 -16.865 1.795 -2.009 228 HG22 ILE 35 2HG2 ILE 35 -17.995 2.080 -3.331 229 HG23 ILE 35 3HG2 ILE 35 -18.162 2.975 -1.821 230 HD11 ILE 35 1HD1 ILE 35 -20.327 -0.146 -4.625 231 HD12 ILE 35 2HD1 ILE 35 -21.200 0.533 -3.251 232 HD13 ILE 35 3HD1 ILE 35 -19.974 1.493 -4.079 233 H ILE 36 H ILE 36 -15.986 1.532 -0.271 234 HA ILE 36 HA ILE 36 -16.895 3.505 1.534 235 HB ILE 36 HB ILE 36 -16.800 1.408 3.006 236 HG12 ILE 36 1HG1 ILE 36 -15.079 3.721 3.905 237 HG13 ILE 36 2HG1 ILE 36 -16.831 3.824 3.768 238 HG21 ILE 36 1HG2 ILE 36 -14.697 0.523 2.148 239 HG22 ILE 36 2HG2 ILE 36 -13.845 1.945 2.747 240 HG23 ILE 36 3HG2 ILE 36 -14.593 0.823 3.883 241 HD11 ILE 36 1HD1 ILE 36 -16.871 3.168 5.888 242 HD12 ILE 36 2HD1 ILE 36 -16.456 1.564 5.282 243 HD13 ILE 36 3HD1 ILE 36 -15.186 2.648 5.848 244 H GLN 37 H GLN 37 -15.339 5.087 1.947 245 HA GLN 37 HA GLN 37 -12.999 4.927 0.213 246 HB2 GLN 37 1HB GLN 37 -12.891 7.284 0.331 247 HB3 GLN 37 2HB GLN 37 -14.603 6.899 0.214 248 HG2 GLN 37 1HG GLN 37 -14.612 7.046 2.771 249 HG3 GLN 37 2HG GLN 37 -13.054 7.851 2.590 250 HE21 GLN 37 1HE2 GLN 37 -16.431 8.171 2.442 251 HE22 GLN 37 2HE2 GLN 37 -16.493 9.816 1.919 252 H GLY 38 H GLY 38 -11.134 4.254 1.029 253 HA2 GLY 38 1HA GLY 38 -10.547 4.888 3.857 254 HA3 GLY 38 2HA GLY 38 -10.065 3.380 3.093 255 H THR 39 H THR 39 -7.948 4.137 3.999 256 HA THR 39 HA THR 39 -6.529 5.638 1.919 257 HB THR 39 HB THR 39 -6.381 6.202 4.880 258 HG1 THR 39 1HG THR 39 -7.257 8.076 4.317 259 HG21 THR 39 1HG2 THR 39 -4.361 6.596 2.745 260 HG22 THR 39 2HG2 THR 39 -4.145 6.346 4.478 261 HG23 THR 39 3HG2 THR 39 -4.612 7.933 3.867 262 H TRP 40 H TRP 40 -4.369 5.058 1.631 263 HA TRP 40 HA TRP 40 -3.680 2.447 2.741 264 HB2 TRP 40 1HB TRP 40 -2.771 4.028 0.361 265 HB3 TRP 40 2HB TRP 40 -1.751 2.738 0.993 266 HD1 TRP 40 HD TRP 40 -4.641 3.327 -1.264 267 HE1 TRP 40 1HE TRP 40 -5.637 1.084 -2.041 268 HE3 TRP 40 3HE TRP 40 -2.241 0.201 1.993 269 HZ2 TRP 40 2HZ TRP 40 -5.432 -1.648 -1.363 270 HZ3 TRP 40 3HZ TRP 40 -2.697 -2.213 1.863 271 HH2 TRP 40 HH TRP 40 -4.260 -3.117 0.220 272 H PHE 41 H PHE 41 -1.542 2.011 3.548 273 HA PHE 41 HA PHE 41 -0.110 4.376 4.545 274 HB2 PHE 41 1HB PHE 41 -1.227 2.087 6.098 275 HB3 PHE 41 2HB PHE 41 0.313 2.767 6.615 276 HD1 PHE 41 2HD PHE 41 -3.064 3.960 5.560 277 HD2 PHE 41 1HD PHE 41 0.240 4.412 8.204 278 HE1 PHE 41 2HE PHE 41 -4.260 5.756 6.742 279 HE2 PHE 41 1HE PHE 41 -0.951 6.208 9.391 280 HZ PHE 41 HZ PHE 41 -3.203 6.883 8.659 281 H LEU 42 H LEU 42 2.128 4.036 5.018 282 HA LEU 42 HA LEU 42 3.316 1.533 4.113 283 HB2 LEU 42 1HB LEU 42 3.354 2.648 2.063 284 HB3 LEU 42 2HB LEU 42 3.719 4.201 2.813 285 HG LEU 42 HG LEU 42 5.995 3.279 3.366 286 HD11 LEU 42 1HD1 LEU 42 5.205 0.877 3.049 287 HD12 LEU 42 2HD1 LEU 42 6.778 1.305 2.377 288 HD13 LEU 42 3HD1 LEU 42 5.373 1.174 1.318 289 HD21 LEU 42 1HD2 LEU 42 6.700 3.335 0.866 290 HD22 LEU 42 2HD2 LEU 42 6.010 4.778 1.609 291 HD23 LEU 42 3HD2 LEU 42 5.009 3.749 0.584 292 H ASN 43 H ASN 43 4.613 0.958 5.718 293 HA ASN 43 HA ASN 43 6.208 1.016 7.339 294 HB2 ASN 43 1HB ASN 43 6.917 3.343 5.630 295 HB3 ASN 43 2HB ASN 43 7.656 3.270 7.227 296 HD21 ASN 43 1HD2 ASN 43 7.986 2.385 4.072 297 HD22 ASN 43 2HD2 ASN 43 9.124 1.098 4.255 298 H GLY 44 H GLY 44 3.531 2.160 7.756 299 HA2 GLY 44 1HA GLY 44 2.654 2.822 9.860 300 HA3 GLY 44 2HA GLY 44 4.168 3.645 10.202 301 H GLU 45 H GLU 45 4.149 4.891 7.492 302 HA GLU 45 HA GLU 45 2.579 7.203 8.224 303 HB2 GLU 45 1HB GLU 45 3.909 8.381 6.807 304 HB3 GLU 45 2HB GLU 45 4.960 6.986 7.012 305 HG2 GLU 45 1HG GLU 45 4.074 6.017 4.950 306 HG3 GLU 45 2HG GLU 45 3.033 7.425 4.742 307 H GLU 46 H GLU 46 1.418 8.339 6.299 308 HA GLU 46 HA GLU 46 -0.370 6.344 5.077 309 HB2 GLU 46 1HB GLU 46 -1.601 7.713 6.595 310 HB3 GLU 46 2HB GLU 46 -0.868 9.182 5.967 311 HG2 GLU 46 1HG GLU 46 -2.432 7.496 4.094 312 HG3 GLU 46 2HG GLU 46 -3.307 8.439 5.298 313 H LEU 47 H LEU 47 -0.795 6.404 2.917 314 HA LEU 47 HA LEU 47 0.925 8.156 1.320 315 HB2 LEU 47 1HB LEU 47 -0.635 5.698 0.536 316 HB3 LEU 47 2HB LEU 47 0.437 6.611 -0.524 317 HG LEU 47 HG LEU 47 1.464 5.350 1.996 318 HD11 LEU 47 1HD1 LEU 47 0.371 3.555 0.809 319 HD12 LEU 47 2HD1 LEU 47 2.119 3.400 0.638 320 HD13 LEU 47 3HD1 LEU 47 1.155 4.031 -0.697 321 HD21 LEU 47 1HD2 LEU 47 2.767 6.019 -0.641 322 HD22 LEU 47 2HD2 LEU 47 3.571 5.394 0.799 323 HD23 LEU 47 3HD2 LEU 47 2.853 7.006 0.818 324 H LYS 48 H LYS 48 0.117 9.300 -0.487 325 HA LYS 48 HA LYS 48 -2.701 10.062 -0.196 326 HB2 LYS 48 1HB LYS 48 -0.434 11.469 -1.619 327 HB3 LYS 48 2HB LYS 48 -2.079 12.075 -1.486 328 HG2 LYS 48 1HG LYS 48 -0.316 11.504 0.883 329 HG3 LYS 48 2HG LYS 48 -0.450 13.086 0.110 330 HD2 LYS 48 1HD LYS 48 -2.907 11.643 1.025 331 HD3 LYS 48 2HD LYS 48 -1.922 12.540 2.183 332 HE2 LYS 48 1HE LYS 48 -2.435 14.568 1.256 333 HE3 LYS 48 2HE LYS 48 -2.689 13.891 -0.352 334 HZ1 LYS 48 1HZ LYS 48 -4.753 14.652 0.709 335 HZ2 LYS 48 2HZ LYS 48 -4.534 13.517 1.944 336 HZ3 LYS 48 3HZ LYS 48 -4.787 12.998 0.354 337 H SER 49 H SER 49 -3.572 10.941 -2.446 338 HA SER 49 HA SER 49 -3.258 8.707 -4.333 339 HB2 SER 49 1HB SER 49 -5.502 9.337 -5.167 340 HB3 SER 49 2HB SER 49 -5.522 8.952 -3.446 341 HG SER 49 HG SER 49 -6.527 10.823 -3.391 342 H ASN 50 H ASN 50 -2.020 9.147 -6.023 343 HA ASN 50 HA ASN 50 -0.781 10.399 -7.514 344 HB2 ASN 50 1HB ASN 50 -2.925 9.838 -8.663 345 HB3 ASN 50 2HB ASN 50 -3.560 11.404 -8.165 346 HD21 ASN 50 1HD2 ASN 50 -3.781 12.368 -10.097 347 HD22 ASN 50 2HD2 ASN 50 -2.478 12.685 -11.187 348 H GLU 51 H GLU 51 -0.370 11.648 -5.224 349 HA GLU 51 HA GLU 51 0.109 14.326 -5.968 350 HB2 GLU 51 1HB GLU 51 -1.366 15.525 -4.501 351 HB3 GLU 51 2HB GLU 51 -2.341 14.477 -5.522 352 HG2 GLU 51 1HG GLU 51 -2.212 12.817 -3.556 353 HG3 GLU 51 2HG GLU 51 -1.717 14.220 -2.610 354 HA PRO 52 HA PRO 52 3.105 13.297 -2.843 355 HB2 PRO 52 1HB PRO 52 4.574 15.566 -3.102 356 HB3 PRO 52 2HB PRO 52 4.662 14.228 -4.254 357 HG2 PRO 52 1HG PRO 52 3.141 16.799 -4.449 358 HG3 PRO 52 2HG PRO 52 4.091 15.964 -5.692 359 HD2 PRO 52 1HD PRO 52 1.390 15.819 -5.582 360 HD3 PRO 52 2HD PRO 52 2.395 14.479 -6.170 361 H GLU 53 H GLU 53 4.208 14.727 -1.039 362 HA GLU 53 HA GLU 53 2.006 15.964 0.443 363 HB2 GLU 53 1HB GLU 53 3.242 14.119 1.520 364 HB3 GLU 53 2HB GLU 53 4.724 15.057 1.408 365 HG2 GLU 53 1HG GLU 53 3.796 16.743 2.886 366 HG3 GLU 53 2HG GLU 53 2.275 15.855 2.965 367 H GLY 54 H GLY 54 5.470 16.546 -0.190 368 HA2 GLY 54 1HA GLY 54 5.132 19.266 -0.831 369 HA3 GLY 54 2HA GLY 54 5.559 19.141 0.869 370 H GLN 55 H GLN 55 7.594 18.210 1.441 371 HA GLN 55 HA GLN 55 9.730 19.074 -0.140 372 HB2 GLN 55 1HB GLN 55 10.028 18.804 2.225 373 HB3 GLN 55 2HB GLN 55 9.630 17.094 2.136 374 HG2 GLN 55 1HG GLN 55 11.941 17.132 2.360 375 HG3 GLN 55 2HG GLN 55 11.682 16.877 0.635 376 HE21 GLN 55 1HE2 GLN 55 13.079 18.849 3.018 377 HE22 GLN 55 2HE2 GLN 55 13.690 20.085 1.977 378 H VAL 56 H VAL 56 8.671 15.729 0.504 379 HA VAL 56 HA VAL 56 10.434 14.405 -1.160 380 HB VAL 56 HB VAL 56 7.554 13.674 -0.611 381 HG11 VAL 56 1HG1 VAL 56 8.964 12.562 -2.551 382 HG12 VAL 56 2HG1 VAL 56 9.648 11.650 -1.204 383 HG13 VAL 56 3HG1 VAL 56 7.911 11.606 -1.509 384 HG21 VAL 56 1HG2 VAL 56 8.228 13.303 1.473 385 HG22 VAL 56 2HG2 VAL 56 9.321 12.063 0.857 386 HG23 VAL 56 3HG2 VAL 56 9.890 13.721 1.057 387 H GLU 57 H GLU 57 10.682 14.196 -3.295 388 HA GLU 57 HA GLU 57 9.438 15.853 -5.135 389 HB2 GLU 57 1HB GLU 57 10.405 14.379 -6.872 390 HB3 GLU 57 2HB GLU 57 11.563 14.798 -5.616 391 HG2 GLU 57 1HG GLU 57 11.305 12.637 -4.590 392 HG3 GLU 57 2HG GLU 57 10.028 12.212 -5.729 393 HA PRO 58 HA PRO 58 5.548 14.055 -6.085 394 HB2 PRO 58 1HB PRO 58 5.305 14.707 -8.709 395 HB3 PRO 58 2HB PRO 58 5.161 15.894 -7.407 396 HG2 PRO 58 1HG PRO 58 7.507 15.287 -9.165 397 HG3 PRO 58 2HG PRO 58 6.874 16.860 -8.648 398 HD2 PRO 58 1HD PRO 58 9.029 15.704 -7.486 399 HD3 PRO 58 2HD PRO 58 7.899 16.737 -6.587 400 H GLY 59 H GLY 59 8.412 12.818 -7.259 401 HA2 GLY 59 1HA GLY 59 7.032 10.417 -8.221 402 HA3 GLY 59 2HA GLY 59 8.198 11.179 -9.293 403 H ALA 60 H ALA 60 8.266 10.630 -5.780 404 HA ALA 60 HA ALA 60 10.993 9.789 -5.863 405 HB1 ALA 60 1HB ALA 60 10.306 9.081 -3.403 406 HB2 ALA 60 2HB ALA 60 10.567 10.767 -3.852 407 HB3 ALA 60 3HB ALA 60 8.928 10.123 -3.759 408 H LEU 61 H LEU 61 8.141 8.024 -4.641 409 HA LEU 61 HA LEU 61 9.423 5.530 -5.533 410 HB2 LEU 61 1HB LEU 61 9.138 5.429 -3.208 411 HB3 LEU 61 2HB LEU 61 7.532 6.149 -3.289 412 HG LEU 61 HG LEU 61 7.935 3.496 -4.570 413 HD11 LEU 61 1HD1 LEU 61 8.671 2.517 -2.720 414 HD12 LEU 61 2HD1 LEU 61 7.142 2.947 -1.954 415 HD13 LEU 61 3HD1 LEU 61 8.535 4.017 -1.802 416 HD21 LEU 61 1HD2 LEU 61 5.728 4.960 -3.158 417 HD22 LEU 61 2HD2 LEU 61 5.637 3.227 -3.473 418 HD23 LEU 61 3HD2 LEU 61 5.777 4.362 -4.817 419 H ARG 62 H ARG 62 8.372 4.153 -6.875 420 HA ARG 62 HA ARG 62 5.953 5.158 -8.145 421 HB2 ARG 62 1HB ARG 62 7.762 2.841 -8.852 422 HB3 ARG 62 2HB ARG 62 6.369 3.350 -9.798 423 HG2 ARG 62 1HG ARG 62 8.001 4.430 -10.942 424 HG3 ARG 62 2HG ARG 62 7.640 5.670 -9.740 425 HD2 ARG 62 1HD ARG 62 9.480 4.748 -8.337 426 HD3 ARG 62 2HD ARG 62 9.884 3.659 -9.664 427 HE ARG 62 HE ARG 62 9.824 6.460 -10.366 428 HH11 ARG 62 2HH1 ARG 62 11.754 3.794 -9.231 429 HH12 ARG 62 1HH1 ARG 62 13.255 4.495 -9.738 430 HH21 ARG 62 2HH2 ARG 62 11.794 7.394 -11.037 431 HH22 ARG 62 1HH2 ARG 62 13.276 6.544 -10.764 432 H TYR 63 H TYR 63 3.980 4.270 -7.958 433 HA TYR 63 HA TYR 63 3.616 1.580 -6.974 434 HB2 TYR 63 1HB TYR 63 2.346 2.153 -5.007 435 HB3 TYR 63 2HB TYR 63 3.917 2.940 -4.900 436 HD1 TYR 63 2HD TYR 63 0.408 3.601 -5.981 437 HD2 TYR 63 1HD TYR 63 4.023 5.207 -4.414 438 HE1 TYR 63 2HE TYR 63 -0.708 5.767 -5.642 439 HE2 TYR 63 1HE TYR 63 2.917 7.377 -4.070 440 HH TYR 63 HH TYR 63 0.630 8.250 -3.770 441 H ARG 64 H ARG 64 1.179 1.135 -6.708 442 HA ARG 64 HA ARG 64 -0.401 2.745 -8.586 443 HB2 ARG 64 1HB ARG 64 0.382 0.933 -9.938 444 HB3 ARG 64 2HB ARG 64 0.005 -0.243 -8.686 445 HG2 ARG 64 1HG ARG 64 -2.320 -0.018 -9.039 446 HG3 ARG 64 2HG ARG 64 -2.098 1.422 -10.037 447 HD2 ARG 64 1HD ARG 64 -1.043 -1.305 -10.764 448 HD3 ARG 64 2HD ARG 64 -2.601 -0.682 -11.305 449 HE ARG 64 HE ARG 64 -1.502 0.800 -12.720 450 HH11 ARG 64 2HH1 ARG 64 0.758 -0.985 -10.763 451 HH12 ARG 64 1HH1 ARG 64 2.135 -0.537 -11.714 452 HH21 ARG 64 2HH2 ARG 64 0.304 1.397 -13.980 453 HH22 ARG 64 1HH2 ARG 64 1.876 0.818 -13.543 454 H ILE 65 H ILE 65 -2.054 3.469 -7.422 455 HA ILE 65 HA ILE 65 -3.201 1.758 -5.334 456 HB ILE 65 HB ILE 65 -3.549 4.713 -5.851 457 HG12 ILE 65 1HG1 ILE 65 -2.224 3.309 -3.525 458 HG13 ILE 65 2HG1 ILE 65 -1.343 3.928 -4.918 459 HG21 ILE 65 1HG2 ILE 65 -4.556 4.418 -3.411 460 HG22 ILE 65 2HG2 ILE 65 -5.548 4.270 -4.861 461 HG23 ILE 65 3HG2 ILE 65 -4.953 2.823 -4.049 462 HD11 ILE 65 1HD1 ILE 65 -2.478 6.172 -4.333 463 HD12 ILE 65 2HD1 ILE 65 -2.754 5.425 -2.759 464 HD13 ILE 65 3HD1 ILE 65 -1.110 5.615 -3.368 465 H GLU 66 H GLU 66 -4.822 0.520 -6.017 466 HA GLU 66 HA GLU 66 -6.728 1.643 -7.960 467 HB2 GLU 66 1HB GLU 66 -6.046 -1.236 -7.344 468 HB3 GLU 66 2HB GLU 66 -7.328 -0.732 -8.436 469 HG2 GLU 66 1HG GLU 66 -4.546 0.240 -8.883 470 HG3 GLU 66 2HG GLU 66 -4.993 -1.395 -9.365 471 H GLN 67 H GLN 67 -8.405 2.480 -6.889 472 HA GLN 67 HA GLN 67 -9.522 0.961 -4.629 473 HB2 GLN 67 1HB GLN 67 -8.883 3.124 -3.882 474 HB3 GLN 67 2HB GLN 67 -9.592 3.900 -5.292 475 HG2 GLN 67 1HG GLN 67 -10.816 4.021 -3.023 476 HG3 GLN 67 2HG GLN 67 -11.740 3.704 -4.490 477 HE21 GLN 67 1HE2 GLN 67 -13.398 2.677 -3.416 478 HE22 GLN 67 2HE2 GLN 67 -13.223 1.114 -2.701 479 H LYS 68 H LYS 68 -11.376 -0.055 -4.960 480 HA LYS 68 HA LYS 68 -13.413 1.111 -6.674 481 HB2 LYS 68 1HB LYS 68 -11.949 -0.340 -8.131 482 HB3 LYS 68 2HB LYS 68 -12.468 -1.715 -7.164 483 HG2 LYS 68 1HG LYS 68 -14.809 -1.219 -7.800 484 HG3 LYS 68 2HG LYS 68 -14.211 0.059 -8.860 485 HD2 LYS 68 1HD LYS 68 -12.906 -1.605 -10.109 486 HD3 LYS 68 2HD LYS 68 -13.534 -2.877 -9.057 487 HE2 LYS 68 1HE LYS 68 -15.385 -1.075 -10.577 488 HE3 LYS 68 2HE LYS 68 -14.658 -2.483 -11.349 489 HZ1 LYS 68 1HZ LYS 68 -15.679 -3.292 -8.882 490 HZ2 LYS 68 2HZ LYS 68 -16.214 -3.731 -10.425 491 HZ3 LYS 68 3HZ LYS 68 -16.885 -2.386 -9.648 492 H GLY 69 H GLY 69 -15.006 1.211 -5.207 493 HA2 GLY 69 1HA GLY 69 -16.464 0.580 -3.537 494 HA3 GLY 69 2HA GLY 69 -16.554 -0.913 -4.460 495 H LEU 70 H LEU 70 -16.157 -2.679 -3.323 496 HA LEU 70 HA LEU 70 -14.652 -2.449 -0.825 497 HB2 LEU 70 1HB LEU 70 -15.514 -4.951 -0.728 498 HB3 LEU 70 2HB LEU 70 -16.526 -3.586 -0.260 499 HG LEU 70 HG LEU 70 -16.670 -4.514 -3.080 500 HD11 LEU 70 1HD1 LEU 70 -18.371 -6.203 -2.419 501 HD12 LEU 70 2HD1 LEU 70 -17.853 -6.005 -0.745 502 HD13 LEU 70 3HD1 LEU 70 -16.724 -6.625 -1.949 503 HD21 LEU 70 1HD2 LEU 70 -17.957 -2.605 -1.697 504 HD22 LEU 70 2HD2 LEU 70 -19.047 -3.963 -1.419 505 HD23 LEU 70 3HD2 LEU 70 -18.667 -3.459 -3.066 506 H GLN 71 H GLN 71 -13.123 -2.288 -3.156 507 HA GLN 71 HA GLN 71 -11.457 -4.663 -2.825 508 HB2 GLN 71 1HB GLN 71 -13.050 -4.757 -4.903 509 HB3 GLN 71 2HB GLN 71 -11.895 -3.629 -5.601 510 HG2 GLN 71 1HG GLN 71 -10.106 -5.220 -5.320 511 HG3 GLN 71 2HG GLN 71 -11.193 -6.338 -4.498 512 HE21 GLN 71 1HE2 GLN 71 -12.343 -7.737 -5.674 513 HE22 GLN 71 2HE2 GLN 71 -12.404 -7.766 -7.400 514 H HIS 72 H HIS 72 -9.702 -3.722 -1.975 515 HA HIS 72 HA HIS 72 -8.628 -1.326 -3.309 516 HB2 HIS 72 1HB HIS 72 -8.244 -2.311 -0.476 517 HB3 HIS 72 2HB HIS 72 -7.399 -0.931 -1.171 518 HD2 HIS 72 2HD HIS 72 -11.255 -1.828 -0.830 519 HE1 HIS 72 1HE HIS 72 -10.629 2.266 0.092 520 HE2 HIS 72 2HE HIS 72 -12.309 0.393 -0.027 521 H ARG 73 H ARG 73 -6.418 -1.213 -3.784 522 HA ARG 73 HA ARG 73 -4.718 -3.500 -3.290 523 HB2 ARG 73 1HB ARG 73 -5.973 -4.179 -5.304 524 HB3 ARG 73 2HB ARG 73 -5.433 -2.718 -6.121 525 HG2 ARG 73 1HG ARG 73 -3.174 -3.457 -6.124 526 HG3 ARG 73 2HG ARG 73 -3.554 -4.807 -5.053 527 HD2 ARG 73 1HD ARG 73 -4.853 -4.515 -7.742 528 HD3 ARG 73 2HD ARG 73 -3.282 -5.292 -7.557 529 HE ARG 73 HE ARG 73 -4.902 -6.541 -5.740 530 HH11 ARG 73 2HH1 ARG 73 -4.977 -6.005 -9.179 531 HH12 ARG 73 1HH1 ARG 73 -5.839 -7.469 -9.520 532 HH21 ARG 73 2HH2 ARG 73 -6.037 -8.471 -6.176 533 HH22 ARG 73 1HH2 ARG 73 -6.442 -8.871 -7.811 534 H LEU 74 H LEU 74 -2.566 -2.997 -3.367 535 HA LEU 74 HA LEU 74 -1.752 -0.429 -4.495 536 HB2 LEU 74 1HB LEU 74 -2.225 0.182 -2.250 537 HB3 LEU 74 2HB LEU 74 -1.409 -1.248 -1.622 538 HG LEU 74 HG LEU 74 0.747 -0.326 -2.305 539 HD11 LEU 74 1HD1 LEU 74 0.502 1.006 -4.138 540 HD12 LEU 74 2HD1 LEU 74 0.563 2.243 -2.883 541 HD13 LEU 74 3HD1 LEU 74 -0.991 1.738 -3.548 542 HD21 LEU 74 1HD2 LEU 74 0.143 0.178 -0.083 543 HD22 LEU 74 2HD2 LEU 74 -1.016 1.407 -0.593 544 HD23 LEU 74 3HD2 LEU 74 0.715 1.696 -0.776 545 H ILE 75 H ILE 75 -0.278 -1.090 -5.927 546 HA ILE 75 HA ILE 75 1.585 -3.227 -5.196 547 HB ILE 75 HB ILE 75 1.199 -1.900 -7.881 548 HG12 ILE 75 1HG1 ILE 75 0.229 -4.368 -8.248 549 HG13 ILE 75 2HG1 ILE 75 -0.156 -4.185 -6.540 550 HG21 ILE 75 1HG2 ILE 75 3.417 -2.986 -7.404 551 HG22 ILE 75 2HG2 ILE 75 2.551 -4.514 -7.254 552 HG23 ILE 75 3HG2 ILE 75 2.538 -3.640 -8.786 553 HD11 ILE 75 1HD1 ILE 75 -2.035 -3.536 -7.904 554 HD12 ILE 75 2HD1 ILE 75 -1.388 -2.129 -7.061 555 HD13 ILE 75 3HD1 ILE 75 -1.037 -2.371 -8.772 556 H LEU 76 H LEU 76 3.568 -2.768 -4.528 557 HA LEU 76 HA LEU 76 4.640 -0.079 -5.037 558 HB2 LEU 76 1HB LEU 76 5.544 -2.088 -2.983 559 HB3 LEU 76 2HB LEU 76 6.054 -0.407 -3.117 560 HG LEU 76 HG LEU 76 3.181 -1.083 -2.609 561 HD11 LEU 76 1HD1 LEU 76 3.595 -1.899 -0.593 562 HD12 LEU 76 2HD1 LEU 76 4.477 -0.431 -0.173 563 HD13 LEU 76 3HD1 LEU 76 5.329 -1.795 -0.897 564 HD21 LEU 76 1HD2 LEU 76 3.159 1.148 -2.819 565 HD22 LEU 76 2HD2 LEU 76 4.903 1.287 -2.594 566 HD23 LEU 76 3HD2 LEU 76 3.841 1.149 -1.192 567 H HIS 77 H HIS 77 5.660 -0.272 -6.979 568 HA HIS 77 HA HIS 77 7.397 -2.522 -7.528 569 HB2 HIS 77 1HB HIS 77 7.265 -0.056 -9.231 570 HB3 HIS 77 2HB HIS 77 7.528 -1.728 -9.717 571 HD1 HIS 77 1HD HIS 77 5.536 -2.960 -10.561 572 HD2 HIS 77 2HD HIS 77 4.488 0.455 -8.438 573 HE1 HIS 77 1HE HIS 77 3.046 -2.737 -10.832 574 HE2 HIS 77 2HE HIS 77 2.447 -0.618 -9.611 575 H ALA 78 H ALA 78 9.626 -2.455 -7.747 576 HA ALA 78 HA ALA 78 11.774 -1.716 -7.478 577 HB1 ALA 78 1HB ALA 78 12.151 0.359 -8.174 578 HB2 ALA 78 2HB ALA 78 10.405 0.610 -8.192 579 HB3 ALA 78 3HB ALA 78 11.343 1.039 -6.762 580 H VAL 79 H VAL 79 10.786 -3.013 -5.425 581 HA VAL 79 HA VAL 79 11.002 -1.416 -2.999 582 HB VAL 79 HB VAL 79 10.429 -3.505 -1.817 583 HG11 VAL 79 1HG1 VAL 79 8.699 -2.473 -4.024 584 HG12 VAL 79 2HG1 VAL 79 8.142 -3.812 -3.018 585 HG13 VAL 79 3HG1 VAL 79 8.539 -2.259 -2.281 586 HG21 VAL 79 1HG2 VAL 79 9.544 -5.114 -3.969 587 HG22 VAL 79 2HG2 VAL 79 11.225 -4.686 -4.285 588 HG23 VAL 79 3HG2 VAL 79 10.787 -5.478 -2.772 589 H LYS 80 H LYS 80 13.014 -0.955 -2.375 590 HA LYS 80 HA LYS 80 15.172 -2.859 -2.811 591 HB2 LYS 80 1HB LYS 80 16.663 -1.101 -2.279 592 HB3 LYS 80 2HB LYS 80 15.385 -0.364 -3.236 593 HG2 LYS 80 1HG LYS 80 15.007 -0.332 -0.310 594 HG3 LYS 80 2HG LYS 80 16.307 0.676 -0.951 595 HD2 LYS 80 1HD LYS 80 13.677 0.793 -2.322 596 HD3 LYS 80 2HD LYS 80 13.802 1.549 -0.732 597 HE2 LYS 80 1HE LYS 80 15.884 2.711 -1.640 598 HE3 LYS 80 2HE LYS 80 15.347 2.177 -3.232 599 HZ1 LYS 80 1HZ LYS 80 14.235 4.223 -1.488 600 HZ2 LYS 80 2HZ LYS 80 13.116 3.280 -2.335 601 HZ3 LYS 80 3HZ LYS 80 14.294 4.155 -3.178 602 H HIS 81 H HIS 81 16.635 -3.451 -1.075 603 HA HIS 81 HA HIS 81 15.311 -4.509 1.158 604 HB2 HIS 81 1HB HIS 81 17.779 -4.694 2.033 605 HB3 HIS 81 2HB HIS 81 17.255 -5.655 0.653 606 HD1 HIS 81 1HD HIS 81 18.060 -4.821 -1.724 607 HD2 HIS 81 2HD HIS 81 19.803 -2.898 1.521 608 HE1 HIS 81 1HE HIS 81 20.071 -3.629 -2.650 609 HE2 HIS 81 2HE HIS 81 21.157 -2.543 -0.654 610 H GLN 82 H GLN 82 16.872 -1.445 0.635 611 HA GLN 82 HA GLN 82 17.459 -0.588 3.175 612 HB2 GLN 82 1HB GLN 82 16.147 1.107 1.046 613 HB3 GLN 82 2HB GLN 82 17.146 1.677 2.376 614 HG2 GLN 82 1HG GLN 82 18.356 -0.293 0.532 615 HG3 GLN 82 2HG GLN 82 18.077 1.334 -0.089 616 HE21 GLN 82 1HE2 GLN 82 19.742 -0.569 2.320 617 HE22 GLN 82 2HE2 GLN 82 20.932 0.618 2.718 618 H ASP 83 H ASP 83 14.319 -0.299 1.522 619 HA ASP 83 HA ASP 83 13.050 0.563 3.989 620 HB2 ASP 83 1HB ASP 83 11.886 0.080 1.238 621 HB3 ASP 83 2HB ASP 83 11.019 0.779 2.603 622 H SER 84 H SER 84 14.181 -2.183 3.625 623 HA SER 84 HA SER 84 12.254 -4.133 3.275 624 HB2 SER 84 1HB SER 84 14.579 -4.737 3.512 625 HB3 SER 84 2HB SER 84 14.624 -4.097 5.155 626 HG SER 84 HG SER 84 12.936 -5.729 5.593 627 H GLY 85 H GLY 85 10.631 -4.981 4.471 628 HA2 GLY 85 1HA GLY 85 9.306 -5.393 6.340 629 HA3 GLY 85 2HA GLY 85 10.381 -4.380 7.293 630 H ALA 86 H ALA 86 8.865 -3.372 4.292 631 HA ALA 86 HA ALA 86 7.841 -0.999 5.463 632 HB1 ALA 86 1HB ALA 86 8.518 -1.351 3.045 633 HB2 ALA 86 2HB ALA 86 6.960 -2.149 2.829 634 HB3 ALA 86 3HB ALA 86 7.023 -0.456 3.321 635 H LEU 87 H LEU 87 6.040 -0.720 6.593 636 HA LEU 87 HA LEU 87 4.130 -2.854 6.870 637 HB2 LEU 87 1HB LEU 87 4.990 -1.055 8.601 638 HB3 LEU 87 2HB LEU 87 3.635 -0.128 7.959 639 HG LEU 87 HG LEU 87 2.893 -1.205 9.944 640 HD11 LEU 87 1HD1 LEU 87 1.845 -2.963 7.749 641 HD12 LEU 87 2HD1 LEU 87 1.433 -1.252 7.856 642 HD13 LEU 87 3HD1 LEU 87 1.001 -2.346 9.169 643 HD21 LEU 87 1HD2 LEU 87 4.191 -3.639 8.767 644 HD22 LEU 87 2HD2 LEU 87 2.937 -3.772 10.001 645 HD23 LEU 87 3HD2 LEU 87 4.434 -2.907 10.354 646 H VAL 88 H VAL 88 3.040 -3.111 4.952 647 HA VAL 88 HA VAL 88 1.704 -0.803 3.763 648 HB VAL 88 HB VAL 88 1.763 -3.665 2.798 649 HG11 VAL 88 1HG1 VAL 88 1.189 -1.286 1.087 650 HG12 VAL 88 2HG1 VAL 88 0.711 -2.970 0.867 651 HG13 VAL 88 3HG1 VAL 88 -0.092 -1.976 2.083 652 HG21 VAL 88 1HG2 VAL 88 3.998 -2.539 2.905 653 HG22 VAL 88 2HG2 VAL 88 3.497 -3.027 1.286 654 HG23 VAL 88 3HG2 VAL 88 3.379 -1.337 1.773 655 H GLY 89 H GLY 89 -0.100 -0.274 4.864 656 HA2 GLY 89 1HA GLY 89 -2.146 -2.375 5.134 657 HA3 GLY 89 2HA GLY 89 -1.774 -1.341 6.505 658 H PHE 90 H PHE 90 -4.317 -1.631 5.199 659 HA PHE 90 HA PHE 90 -4.651 1.084 4.103 660 HB2 PHE 90 1HB PHE 90 -5.334 -0.224 2.331 661 HB3 PHE 90 2HB PHE 90 -5.903 -1.525 3.373 662 HD1 PHE 90 1HD PHE 90 -8.117 -1.460 4.351 663 HD2 PHE 90 2HD PHE 90 -6.743 1.657 1.798 664 HE1 PHE 90 1HE PHE 90 -10.426 -0.647 4.106 665 HE2 PHE 90 2HE PHE 90 -9.050 2.474 1.549 666 HZ PHE 90 HZ PHE 90 -10.895 1.323 2.704 667 H SER 91 H SER 91 -5.344 2.329 5.726 668 HA SER 91 HA SER 91 -7.167 1.265 7.729 669 HB2 SER 91 1HB SER 91 -6.800 3.367 8.909 670 HB3 SER 91 2HB SER 91 -5.250 2.683 8.416 671 HG SER 91 HG SER 91 -6.044 4.212 6.438 672 H CYS 92 H CYS 92 -9.290 1.687 7.844 673 HA CYS 92 HA CYS 92 -10.432 3.896 6.328 674 HB2 CYS 92 1HB CYS 92 -11.705 2.671 4.877 675 HB3 CYS 92 2HB CYS 92 -10.348 1.562 5.038 676 HG CYS 92 HG CYS 92 -13.251 1.309 6.833 677 HA PRO 93 HA PRO 93 -13.209 4.196 9.709 678 HB2 PRO 93 1HB PRO 93 -15.477 5.071 8.500 679 HB3 PRO 93 2HB PRO 93 -14.049 6.090 8.716 680 HG2 PRO 93 1HG PRO 93 -14.950 4.579 6.294 681 HG3 PRO 93 2HG PRO 93 -14.298 6.224 6.408 682 HD2 PRO 93 1HD PRO 93 -12.792 4.112 5.632 683 HD3 PRO 93 2HD PRO 93 -12.118 5.488 6.529 684 H GLY 94 H GLY 94 -13.167 1.785 9.924 685 HA2 GLY 94 1HA GLY 94 -15.362 0.563 10.653 686 HA3 GLY 94 2HA GLY 94 -15.580 0.461 8.912 687 H VAL 95 H VAL 95 -12.509 0.257 8.774 688 HA VAL 95 HA VAL 95 -12.161 -2.469 9.779 689 HB VAL 95 HB VAL 95 -11.798 -1.671 6.890 690 HG11 VAL 95 1HG1 VAL 95 -10.826 -4.069 8.411 691 HG12 VAL 95 2HG1 VAL 95 -11.111 -4.126 6.670 692 HG13 VAL 95 3HG1 VAL 95 -9.925 -3.002 7.335 693 HG21 VAL 95 1HG2 VAL 95 -13.843 -2.500 6.638 694 HG22 VAL 95 2HG2 VAL 95 -13.239 -4.070 7.169 695 HG23 VAL 95 3HG2 VAL 95 -13.915 -2.942 8.344 696 H GLN 96 H GLN 96 -10.019 -3.078 10.122 697 HA GLN 96 HA GLN 96 -7.915 -1.162 9.478 698 HB2 GLN 96 1HB GLN 96 -8.803 -0.537 11.720 699 HB3 GLN 96 2HB GLN 96 -8.380 -2.143 12.299 700 HG2 GLN 96 1HG GLN 96 -6.539 -1.025 12.986 701 HG3 GLN 96 2HG GLN 96 -6.005 -1.452 11.361 702 HE21 GLN 96 1HE2 GLN 96 -6.799 1.072 13.522 703 HE22 GLN 96 2HE2 GLN 96 -6.489 2.394 12.455 704 H ASP 97 H ASP 97 -6.616 -2.439 8.320 705 HA ASP 97 HA ASP 97 -5.417 -4.738 9.623 706 HB2 ASP 97 1HB ASP 97 -7.533 -5.372 8.165 707 HB3 ASP 97 2HB ASP 97 -6.384 -5.219 6.838 708 H SER 98 H SER 98 -3.459 -5.445 8.607 709 HA SER 98 HA SER 98 -2.420 -3.947 6.366 710 HB2 SER 98 1HB SER 98 -0.521 -2.986 7.542 711 HB3 SER 98 2HB SER 98 -2.015 -2.428 8.295 712 HG SER 98 HG SER 98 -0.306 -4.497 9.219 713 H ALA 99 H ALA 99 -0.029 -4.590 6.011 714 HA ALA 99 HA ALA 99 0.437 -7.360 6.872 715 HB1 ALA 99 1HB ALA 99 1.079 -6.636 4.058 716 HB2 ALA 99 2HB ALA 99 0.657 -8.201 4.756 717 HB3 ALA 99 3HB ALA 99 -0.597 -6.992 4.479 718 H ALA 100 H ALA 100 2.736 -8.010 5.854 719 HA ALA 100 HA ALA 100 4.581 -5.794 6.469 720 HB1 ALA 100 1HB ALA 100 5.312 -8.637 7.026 721 HB2 ALA 100 2HB ALA 100 5.930 -7.156 7.756 722 HB3 ALA 100 3HB ALA 100 4.319 -7.738 8.173 723 H LEU 101 H LEU 101 5.938 -5.294 4.882 724 HA LEU 101 HA LEU 101 6.219 -7.138 2.630 725 HB2 LEU 101 1HB LEU 101 5.591 -5.014 1.888 726 HB3 LEU 101 2HB LEU 101 6.693 -4.203 2.999 727 HG LEU 101 HG LEU 101 8.571 -5.223 1.582 728 HD11 LEU 101 1HD1 LEU 101 6.233 -5.592 -0.282 729 HD12 LEU 101 2HD1 LEU 101 7.297 -6.847 0.353 730 HD13 LEU 101 3HD1 LEU 101 7.927 -5.644 -0.771 731 HD21 LEU 101 1HD2 LEU 101 6.758 -2.975 0.888 732 HD22 LEU 101 2HD2 LEU 101 7.994 -3.435 -0.284 733 HD23 LEU 101 3HD2 LEU 101 8.460 -2.958 1.350 734 H THR 102 H THR 102 7.993 -8.308 2.350 735 HA THR 102 HA THR 102 10.416 -7.556 3.847 736 HB THR 102 HB THR 102 9.539 -10.287 2.888 737 HG1 THR 102 1HG THR 102 8.782 -10.516 4.854 738 HG21 THR 102 1HG2 THR 102 11.705 -10.294 4.780 739 HG22 THR 102 2HG2 THR 102 12.140 -9.340 3.362 740 HG23 THR 102 3HG2 THR 102 11.626 -11.016 3.174 741 H ILE 103 H ILE 103 12.239 -7.123 2.766 742 HA ILE 103 HA ILE 103 12.325 -7.769 -0.109 743 HB ILE 103 HB ILE 103 13.491 -5.330 1.239 744 HG12 ILE 103 1HG1 ILE 103 11.406 -5.198 -0.891 745 HG13 ILE 103 2HG1 ILE 103 10.897 -5.632 0.737 746 HG21 ILE 103 1HG2 ILE 103 13.628 -4.760 -1.362 747 HG22 ILE 103 2HG2 ILE 103 14.934 -5.565 -0.494 748 HG23 ILE 103 3HG2 ILE 103 13.799 -6.512 -1.456 749 HD11 ILE 103 1HD1 ILE 103 12.420 -3.466 1.253 750 HD12 ILE 103 2HD1 ILE 103 11.787 -3.057 -0.342 751 HD13 ILE 103 3HD1 ILE 103 10.679 -3.419 0.981 752 H GLN 104 H GLN 104 13.891 -9.136 -0.621 753 HA GLN 104 HA GLN 104 16.151 -9.469 1.211 754 HB2 GLN 104 1HB GLN 104 15.230 -11.200 -1.090 755 HB3 GLN 104 2HB GLN 104 16.563 -11.573 -0.005 756 HG2 GLN 104 1HG GLN 104 13.836 -11.085 1.103 757 HG3 GLN 104 2HG GLN 104 14.232 -12.643 0.380 758 HE21 GLN 104 1HE2 GLN 104 13.675 -11.695 3.190 759 HE22 GLN 104 2HE2 GLN 104 14.985 -12.332 4.120 760 H GLU 105 H GLU 105 18.267 -9.237 0.586 761 HA GLU 105 HA GLU 105 18.820 -7.397 -1.484 762 HB2 GLU 105 1HB GLU 105 20.729 -9.204 0.010 763 HB3 GLU 105 2HB GLU 105 21.182 -7.802 -0.948 764 HG2 GLU 105 1HG GLU 105 19.737 -6.435 0.612 765 HG3 GLU 105 2HG GLU 105 19.667 -7.865 1.641 766 H SER 106 H SER 106 19.582 -7.650 -3.526 767 HA SER 106 HA SER 106 19.744 -10.414 -4.534 768 HB2 SER 106 1HB SER 106 17.880 -9.364 -5.574 769 HB3 SER 106 2HB SER 106 18.784 -7.877 -5.859 770 HG SER 106 HG SER 106 19.024 -8.784 -7.762 771 H SER 107 H SER 107 21.383 -10.966 -5.970 772 HA SER 107 HA SER 107 23.896 -9.895 -5.540 773 HB2 SER 107 1HB SER 107 24.656 -11.245 -7.401 774 HB3 SER 107 2HB SER 107 23.420 -12.144 -6.522 775 HG SER 107 HG SER 107 22.761 -10.543 -8.749 776 H GLY 108 H GLY 108 24.578 -7.906 -5.971 777 HA2 GLY 108 1HA GLY 108 23.393 -6.307 -8.051 778 HA3 GLY 108 2HA GLY 108 24.698 -5.825 -6.978 779 HA PRO 109 HA PRO 109 26.467 -6.324 -11.223 780 HB2 PRO 109 1HB PRO 109 27.933 -4.041 -11.128 781 HB3 PRO 109 2HB PRO 109 26.243 -4.076 -11.644 782 HG2 PRO 109 1HG PRO 109 27.396 -3.329 -8.985 783 HG3 PRO 109 2HG PRO 109 26.104 -2.538 -9.906 784 HD2 PRO 109 1HD PRO 109 25.604 -4.199 -7.827 785 HD3 PRO 109 2HD PRO 109 24.512 -4.058 -9.220 786 H SER 110 H SER 110 28.833 -6.269 -11.834 787 HA SER 110 HA SER 110 30.578 -6.848 -9.540 788 HB2 SER 110 1HB SER 110 29.620 -8.934 -10.733 789 HB3 SER 110 2HB SER 110 30.705 -8.501 -12.053 790 HG SER 110 HG SER 110 32.031 -9.684 -10.887 791 H SER 111 H SER 111 32.701 -6.249 -9.764 792 HA SER 111 HA SER 111 33.266 -4.247 -11.719 793 HB2 SER 111 1HB SER 111 35.047 -5.567 -9.658 794 HB3 SER 111 2HB SER 111 35.510 -4.175 -10.637 795 HG SER 111 HG SER 111 34.668 -3.663 -8.511 796 H GLY 112 H GLY 112 34.430 -7.550 -11.144 797 HA2 GLY 112 1HA GLY 112 34.761 -8.926 -13.162 798 HA3 GLY 112 2HA GLY 112 35.527 -7.521 -13.888 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -16.177 12.636 17.560 2 HA2 GLY 1 1HA GLY 1 -16.295 15.048 18.981 3 HA3 GLY 1 2HA GLY 1 -15.053 15.211 17.749 4 H SER 2 H SER 2 -16.073 13.892 15.620 5 HA SER 2 HA SER 2 -18.231 15.669 14.832 6 HB2 SER 2 1HB SER 2 -17.822 14.757 12.558 7 HB3 SER 2 2HB SER 2 -16.358 15.407 13.296 8 HG SER 2 HG SER 2 -15.709 13.307 13.769 9 H SER 3 H SER 3 -20.007 14.842 15.947 10 HA SER 3 HA SER 3 -20.763 12.096 15.822 11 HB2 SER 3 1HB SER 3 -22.362 14.552 16.582 12 HB3 SER 3 2HB SER 3 -22.905 12.890 16.808 13 HG SER 3 HG SER 3 -21.725 14.132 18.596 14 H GLY 4 H GLY 4 -22.858 11.359 14.902 15 HA2 GLY 4 1HA GLY 4 -24.597 12.210 13.199 16 HA3 GLY 4 2HA GLY 4 -23.177 12.491 12.203 17 H SER 5 H SER 5 -22.838 10.966 10.746 18 HA SER 5 HA SER 5 -22.763 8.201 11.397 19 HB2 SER 5 1HB SER 5 -25.274 8.739 11.196 20 HB3 SER 5 2HB SER 5 -24.967 8.909 9.467 21 HG SER 5 HG SER 5 -24.044 6.740 9.606 22 H SER 6 H SER 6 -21.065 7.587 10.249 23 HA SER 6 HA SER 6 -20.764 8.629 7.508 24 HB2 SER 6 1HB SER 6 -18.965 9.416 8.937 25 HB3 SER 6 2HB SER 6 -18.633 7.772 9.481 26 HG SER 6 HG SER 6 -17.696 7.317 7.608 27 H GLY 7 H GLY 7 -20.289 7.219 5.854 28 HA2 GLY 7 1HA GLY 7 -21.315 4.669 5.882 29 HA3 GLY 7 2HA GLY 7 -20.098 5.217 4.739 30 H THR 8 H THR 8 -20.557 2.615 6.180 31 HA THR 8 HA THR 8 -17.776 2.239 6.989 32 HB THR 8 HB THR 8 -18.522 0.840 8.949 33 HG1 THR 8 1HG THR 8 -20.983 1.924 8.130 34 HG21 THR 8 1HG2 THR 8 -17.908 3.471 8.831 35 HG22 THR 8 2HG2 THR 8 -18.220 2.603 10.335 36 HG23 THR 8 3HG2 THR 8 -19.502 3.550 9.580 37 H ALA 9 H ALA 9 -17.174 -0.058 7.120 38 HA ALA 9 HA ALA 9 -18.980 -1.935 5.822 39 HB1 ALA 9 1HB ALA 9 -17.008 -0.557 4.348 40 HB2 ALA 9 2HB ALA 9 -16.456 -2.223 4.526 41 HB3 ALA 9 3HB ALA 9 -18.036 -1.888 3.817 42 H ARG 10 H ARG 10 -17.561 -4.088 5.451 43 HA ARG 10 HA ARG 10 -16.094 -4.545 7.966 44 HB2 ARG 10 1HB ARG 10 -18.484 -5.613 7.518 45 HB3 ARG 10 2HB ARG 10 -17.528 -6.788 6.625 46 HG2 ARG 10 1HG ARG 10 -16.474 -7.571 8.513 47 HG3 ARG 10 2HG ARG 10 -16.741 -6.075 9.410 48 HD2 ARG 10 1HD ARG 10 -18.145 -7.873 10.268 49 HD3 ARG 10 2HD ARG 10 -19.124 -6.587 9.563 50 HE ARG 10 HE ARG 10 -19.847 -8.056 7.955 51 HH11 ARG 10 2HH1 ARG 10 -17.119 -9.421 9.633 52 HH12 ARG 10 1HH1 ARG 10 -17.291 -10.986 8.908 53 HH21 ARG 10 2HH2 ARG 10 -20.083 -10.112 6.995 54 HH22 ARG 10 1HH2 ARG 10 -18.977 -11.377 7.407 55 H LEU 11 H LEU 11 -14.771 -6.662 7.802 56 HA LEU 11 HA LEU 11 -13.264 -6.543 5.282 57 HB2 LEU 11 1HB LEU 11 -12.058 -5.993 7.370 58 HB3 LEU 11 2HB LEU 11 -12.403 -7.616 7.965 59 HG LEU 11 HG LEU 11 -11.053 -8.551 6.128 60 HD11 LEU 11 1HD1 LEU 11 -10.413 -5.668 5.523 61 HD12 LEU 11 2HD1 LEU 11 -11.353 -6.758 4.505 62 HD13 LEU 11 3HD1 LEU 11 -9.642 -7.076 4.791 63 HD21 LEU 11 1HD2 LEU 11 -8.876 -7.874 7.005 64 HD22 LEU 11 2HD2 LEU 11 -10.037 -8.132 8.307 65 HD23 LEU 11 3HD2 LEU 11 -9.623 -6.491 7.806 66 H VAL 12 H VAL 12 -12.896 -8.342 4.073 67 HA VAL 12 HA VAL 12 -14.086 -10.864 5.029 68 HB VAL 12 HB VAL 12 -14.308 -11.206 2.391 69 HG11 VAL 12 1HG1 VAL 12 -16.599 -9.692 3.114 70 HG12 VAL 12 2HG1 VAL 12 -16.411 -11.446 3.058 71 HG13 VAL 12 3HG1 VAL 12 -16.044 -10.565 4.542 72 HG21 VAL 12 1HG2 VAL 12 -14.638 -9.317 1.139 73 HG22 VAL 12 2HG2 VAL 12 -15.090 -8.337 2.534 74 HG23 VAL 12 3HG2 VAL 12 -13.396 -8.737 2.249 75 H ALA 13 H ALA 13 -11.598 -9.331 3.061 76 HA ALA 13 HA ALA 13 -9.982 -11.772 3.329 77 HB1 ALA 13 1HB ALA 13 -9.778 -10.161 0.826 78 HB2 ALA 13 2HB ALA 13 -9.398 -11.861 1.106 79 HB3 ALA 13 3HB ALA 13 -11.080 -11.339 0.998 80 H GLY 14 H GLY 14 -9.065 -10.545 5.128 81 HA2 GLY 14 1HA GLY 14 -7.890 -8.081 5.092 82 HA3 GLY 14 2HA GLY 14 -7.231 -9.444 5.984 83 H LEU 15 H LEU 15 -5.483 -7.608 5.118 84 HA LEU 15 HA LEU 15 -4.449 -8.029 2.522 85 HB2 LEU 15 1HB LEU 15 -3.193 -6.944 5.033 86 HB3 LEU 15 2HB LEU 15 -2.376 -6.970 3.472 87 HG LEU 15 HG LEU 15 -5.026 -5.625 3.656 88 HD11 LEU 15 1HD1 LEU 15 -3.577 -3.518 4.194 89 HD12 LEU 15 2HD1 LEU 15 -2.511 -4.695 4.960 90 HD13 LEU 15 3HD1 LEU 15 -4.183 -4.541 5.497 91 HD21 LEU 15 1HD2 LEU 15 -2.473 -5.038 2.159 92 HD22 LEU 15 2HD2 LEU 15 -3.993 -4.159 1.994 93 HD23 LEU 15 3HD2 LEU 15 -3.895 -5.852 1.507 94 H GLU 16 H GLU 16 -2.455 -9.065 1.925 95 HA GLU 16 HA GLU 16 -1.772 -11.348 3.660 96 HB2 GLU 16 1HB GLU 16 -1.834 -11.290 0.637 97 HB3 GLU 16 2HB GLU 16 -1.351 -12.661 1.626 98 HG2 GLU 16 1HG GLU 16 -3.585 -12.837 2.534 99 HG3 GLU 16 2HG GLU 16 -4.086 -11.404 1.637 100 H ASP 17 H ASP 17 0.301 -11.540 4.209 101 HA ASP 17 HA ASP 17 2.210 -9.608 3.797 102 HB2 ASP 17 1HB ASP 17 2.464 -11.277 5.532 103 HB3 ASP 17 2HB ASP 17 2.608 -12.558 4.331 104 H VAL 18 H VAL 18 3.793 -9.195 2.328 105 HA VAL 18 HA VAL 18 3.984 -10.987 -0.001 106 HB VAL 18 HB VAL 18 3.826 -7.972 -0.043 107 HG11 VAL 18 1HG1 VAL 18 4.121 -8.161 -2.477 108 HG12 VAL 18 2HG1 VAL 18 5.545 -8.708 -1.590 109 HG13 VAL 18 3HG1 VAL 18 4.436 -9.886 -2.293 110 HG21 VAL 18 1HG2 VAL 18 1.645 -8.844 0.049 111 HG22 VAL 18 2HG2 VAL 18 1.935 -8.525 -1.661 112 HG23 VAL 18 3HG2 VAL 18 2.039 -10.173 -1.042 113 H GLN 19 H GLN 19 5.990 -11.647 -0.375 114 HA GLN 19 HA GLN 19 8.220 -9.972 0.576 115 HB2 GLN 19 1HB GLN 19 9.360 -11.811 1.379 116 HB3 GLN 19 2HB GLN 19 7.698 -12.259 1.738 117 HG2 GLN 19 1HG GLN 19 7.693 -13.516 -0.447 118 HG3 GLN 19 2HG GLN 19 9.434 -13.245 -0.504 119 HE21 GLN 19 1HE2 GLN 19 10.766 -14.322 0.927 120 HE22 GLN 19 2HE2 GLN 19 10.225 -15.660 1.876 121 H VAL 20 H VAL 20 9.567 -9.297 -0.950 122 HA VAL 20 HA VAL 20 10.059 -10.947 -3.305 123 HB VAL 20 HB VAL 20 9.699 -9.108 -4.866 124 HG11 VAL 20 1HG1 VAL 20 7.835 -10.493 -4.756 125 HG12 VAL 20 2HG1 VAL 20 7.413 -9.960 -3.127 126 HG13 VAL 20 3HG1 VAL 20 7.155 -8.886 -4.503 127 HG21 VAL 20 1HG2 VAL 20 8.568 -7.052 -4.140 128 HG22 VAL 20 2HG2 VAL 20 8.681 -7.591 -2.464 129 HG23 VAL 20 3HG2 VAL 20 10.148 -7.238 -3.378 130 H TYR 21 H TYR 21 11.921 -10.226 -4.552 131 HA TYR 21 HA TYR 21 14.032 -9.325 -2.835 132 HB2 TYR 21 1HB TYR 21 13.878 -10.204 -5.704 133 HB3 TYR 21 2HB TYR 21 15.350 -9.478 -5.069 134 HD1 TYR 21 1HD TYR 21 12.890 -12.098 -4.016 135 HD2 TYR 21 2HD TYR 21 16.972 -10.955 -4.381 136 HE1 TYR 21 1HE TYR 21 13.576 -14.285 -3.124 137 HE2 TYR 21 2HE TYR 21 17.670 -13.139 -3.490 138 HH TYR 21 HH TYR 21 16.979 -15.214 -2.954 139 H ASP 22 H ASP 22 15.505 -7.566 -3.385 140 HA ASP 22 HA ASP 22 14.254 -5.106 -3.601 141 HB2 ASP 22 1HB ASP 22 16.423 -5.134 -2.665 142 HB3 ASP 22 2HB ASP 22 17.107 -5.949 -4.069 143 H GLY 23 H GLY 23 14.077 -3.564 -5.253 144 HA2 GLY 23 1HA GLY 23 14.047 -2.769 -7.439 145 HA3 GLY 23 2HA GLY 23 14.838 -4.250 -7.959 146 H GLU 24 H GLU 24 12.894 -6.018 -6.741 147 HA GLU 24 HA GLU 24 11.115 -6.309 -8.880 148 HB2 GLU 24 1HB GLU 24 10.812 -7.379 -6.068 149 HB3 GLU 24 2HB GLU 24 9.983 -7.980 -7.498 150 HG2 GLU 24 1HG GLU 24 12.908 -8.155 -6.847 151 HG3 GLU 24 2HG GLU 24 11.755 -9.473 -7.048 152 H ASP 25 H ASP 25 8.609 -6.675 -8.093 153 HA ASP 25 HA ASP 25 7.757 -4.053 -7.048 154 HB2 ASP 25 1HB ASP 25 5.633 -4.679 -8.511 155 HB3 ASP 25 2HB ASP 25 7.033 -3.880 -9.220 156 H ALA 26 H ALA 26 6.592 -4.120 -5.249 157 HA ALA 26 HA ALA 26 5.377 -6.679 -4.460 158 HB1 ALA 26 1HB ALA 26 6.591 -4.432 -2.937 159 HB2 ALA 26 2HB ALA 26 5.301 -5.365 -2.175 160 HB3 ALA 26 3HB ALA 26 6.770 -6.174 -2.721 161 H VAL 27 H VAL 27 3.252 -6.840 -4.678 162 HA VAL 27 HA VAL 27 1.613 -4.408 -4.380 163 HB VAL 27 HB VAL 27 1.265 -4.796 -6.607 164 HG11 VAL 27 1HG1 VAL 27 1.281 -6.991 -7.683 165 HG12 VAL 27 2HG1 VAL 27 2.761 -6.720 -6.761 166 HG13 VAL 27 3HG1 VAL 27 1.495 -7.763 -6.112 167 HG21 VAL 27 1HG2 VAL 27 -0.866 -5.900 -6.931 168 HG22 VAL 27 2HG2 VAL 27 -0.692 -6.748 -5.395 169 HG23 VAL 27 3HG2 VAL 27 -0.887 -4.995 -5.417 170 H PHE 28 H PHE 28 -0.335 -4.595 -3.293 171 HA PHE 28 HA PHE 28 -0.782 -7.163 -1.918 172 HB2 PHE 28 1HB PHE 28 -1.050 -4.346 -0.868 173 HB3 PHE 28 2HB PHE 28 -1.743 -5.741 -0.047 174 HD1 PHE 28 2HD PHE 28 1.395 -4.124 -1.084 175 HD2 PHE 28 1HD PHE 28 -0.391 -7.234 1.210 176 HE1 PHE 28 2HE PHE 28 3.544 -4.520 0.046 177 HE2 PHE 28 1HE PHE 28 1.755 -7.634 2.344 178 HZ PHE 28 HZ PHE 28 3.727 -6.278 1.762 179 H SER 29 H SER 29 -3.039 -7.478 -1.165 180 HA SER 29 HA SER 29 -5.086 -5.994 -2.593 181 HB2 SER 29 1HB SER 29 -6.001 -7.878 -3.767 182 HB3 SER 29 2HB SER 29 -4.285 -7.797 -4.165 183 HG SER 29 HG SER 29 -3.932 -9.427 -2.593 184 H LEU 30 H LEU 30 -7.158 -6.254 -1.732 185 HA LEU 30 HA LEU 30 -7.626 -8.149 0.396 186 HB2 LEU 30 1HB LEU 30 -8.031 -6.577 2.133 187 HB3 LEU 30 2HB LEU 30 -6.422 -6.264 1.488 188 HG LEU 30 HG LEU 30 -7.763 -4.475 0.051 189 HD11 LEU 30 1HD1 LEU 30 -9.397 -4.760 2.568 190 HD12 LEU 30 2HD1 LEU 30 -9.950 -5.060 0.921 191 HD13 LEU 30 3HD1 LEU 30 -9.508 -3.427 1.419 192 HD21 LEU 30 1HD2 LEU 30 -7.328 -2.871 2.019 193 HD22 LEU 30 2HD2 LEU 30 -5.961 -3.741 1.324 194 HD23 LEU 30 3HD2 LEU 30 -6.679 -4.292 2.838 195 H ASP 31 H ASP 31 -9.835 -8.261 1.037 196 HA ASP 31 HA ASP 31 -11.662 -6.958 -0.874 197 HB2 ASP 31 1HB ASP 31 -12.030 -9.603 0.549 198 HB3 ASP 31 2HB ASP 31 -13.133 -8.894 -0.629 199 H LEU 32 H LEU 32 -13.798 -6.424 -0.098 200 HA LEU 32 HA LEU 32 -13.990 -6.112 2.817 201 HB2 LEU 32 1HB LEU 32 -14.771 -3.973 0.848 202 HB3 LEU 32 2HB LEU 32 -14.775 -3.861 2.607 203 HG LEU 32 HG LEU 32 -12.271 -4.203 0.964 204 HD11 LEU 32 1HD1 LEU 32 -12.831 -2.114 0.264 205 HD12 LEU 32 2HD1 LEU 32 -12.074 -1.695 1.800 206 HD13 LEU 32 3HD1 LEU 32 -13.831 -1.783 1.679 207 HD21 LEU 32 1HD2 LEU 32 -11.393 -4.624 2.965 208 HD22 LEU 32 2HD2 LEU 32 -12.887 -4.185 3.794 209 HD23 LEU 32 3HD2 LEU 32 -11.716 -2.937 3.365 210 H SER 33 H SER 33 -16.309 -5.277 3.364 211 HA SER 33 HA SER 33 -18.129 -7.226 2.281 212 HB2 SER 33 1HB SER 33 -18.061 -6.602 4.707 213 HB3 SER 33 2HB SER 33 -18.707 -5.020 4.272 214 HG SER 33 HG SER 33 -19.951 -7.518 4.281 215 H THR 34 H THR 34 -17.649 -3.760 2.050 216 HA THR 34 HA THR 34 -19.265 -3.639 -0.324 217 HB THR 34 HB THR 34 -20.972 -3.441 1.493 218 HG1 THR 34 1HG THR 34 -21.960 -1.625 0.520 219 HG21 THR 34 1HG2 THR 34 -19.155 -1.236 2.292 220 HG22 THR 34 2HG2 THR 34 -20.145 -2.304 3.287 221 HG23 THR 34 3HG2 THR 34 -20.888 -0.947 2.442 222 H ILE 35 H ILE 35 -19.467 -1.202 -1.003 223 HA ILE 35 HA ILE 35 -16.903 -0.218 -1.435 224 HB ILE 35 HB ILE 35 -19.457 1.392 -1.476 225 HG12 ILE 35 1HG1 ILE 35 -19.046 0.812 -4.051 226 HG13 ILE 35 2HG1 ILE 35 -18.293 -0.614 -3.345 227 HG21 ILE 35 1HG2 ILE 35 -17.956 3.042 -1.800 228 HG22 ILE 35 2HG2 ILE 35 -16.676 1.927 -2.276 229 HG23 ILE 35 3HG2 ILE 35 -17.910 2.401 -3.443 230 HD11 ILE 35 1HD1 ILE 35 -20.991 -0.217 -3.874 231 HD12 ILE 35 2HD1 ILE 35 -20.266 -1.535 -2.952 232 HD13 ILE 35 3HD1 ILE 35 -20.844 -0.090 -2.121 233 H ILE 36 H ILE 36 -15.713 1.474 -0.565 234 HA ILE 36 HA ILE 36 -16.589 3.150 1.527 235 HB ILE 36 HB ILE 36 -16.533 1.049 2.823 236 HG12 ILE 36 1HG1 ILE 36 -14.302 2.920 3.638 237 HG13 ILE 36 2HG1 ILE 36 -16.012 3.289 3.837 238 HG21 ILE 36 1HG2 ILE 36 -13.644 0.835 2.971 239 HG22 ILE 36 2HG2 ILE 36 -14.859 -0.418 2.729 240 HG23 ILE 36 3HG2 ILE 36 -14.260 0.505 1.352 241 HD11 ILE 36 1HD1 ILE 36 -15.093 0.730 4.971 242 HD12 ILE 36 2HD1 ILE 36 -14.504 2.198 5.752 243 HD13 ILE 36 3HD1 ILE 36 -16.238 1.913 5.603 244 H GLN 37 H GLN 37 -15.061 4.705 2.075 245 HA GLN 37 HA GLN 37 -12.688 4.722 0.359 246 HB2 GLN 37 1HB GLN 37 -14.199 6.640 0.169 247 HB3 GLN 37 2HB GLN 37 -14.018 6.966 1.887 248 HG2 GLN 37 1HG GLN 37 -11.567 6.876 0.216 249 HG3 GLN 37 2HG GLN 37 -12.634 8.271 0.064 250 HE21 GLN 37 1HE2 GLN 37 -9.959 7.238 1.545 251 HE22 GLN 37 2HE2 GLN 37 -10.019 8.173 2.997 252 H GLY 38 H GLY 38 -10.893 3.972 1.276 253 HA2 GLY 38 1HA GLY 38 -10.402 4.653 4.111 254 HA3 GLY 38 2HA GLY 38 -9.902 3.132 3.387 255 H THR 39 H THR 39 -7.823 3.922 4.384 256 HA THR 39 HA THR 39 -6.309 5.357 2.324 257 HB THR 39 HB THR 39 -6.308 6.021 5.267 258 HG1 THR 39 1HG THR 39 -6.441 8.197 4.125 259 HG21 THR 39 1HG2 THR 39 -4.479 7.711 4.153 260 HG22 THR 39 2HG2 THR 39 -4.138 6.206 3.298 261 HG23 THR 39 3HG2 THR 39 -4.078 6.253 5.060 262 H TRP 40 H TRP 40 -4.186 4.707 2.087 263 HA TRP 40 HA TRP 40 -3.539 2.152 3.323 264 HB2 TRP 40 1HB TRP 40 -2.421 3.690 0.991 265 HB3 TRP 40 2HB TRP 40 -1.561 2.310 1.670 266 HD1 TRP 40 HD TRP 40 -4.581 3.205 -0.452 267 HE1 TRP 40 1HE TRP 40 -5.576 1.050 -1.446 268 HE3 TRP 40 3HE TRP 40 -1.851 -0.234 2.166 269 HZ2 TRP 40 2HZ TRP 40 -5.248 -1.739 -1.159 270 HZ3 TRP 40 3HZ TRP 40 -2.253 -2.625 1.748 271 HH2 TRP 40 HH TRP 40 -3.917 -3.360 0.120 272 H PHE 41 H PHE 41 -1.279 1.758 4.036 273 HA PHE 41 HA PHE 41 0.101 4.118 5.064 274 HB2 PHE 41 1HB PHE 41 -1.122 1.950 6.736 275 HB3 PHE 41 2HB PHE 41 0.344 2.754 7.286 276 HD1 PHE 41 2HD PHE 41 -3.095 3.497 6.074 277 HD2 PHE 41 1HD PHE 41 0.185 4.710 8.500 278 HE1 PHE 41 2HE PHE 41 -4.451 5.339 6.981 279 HE2 PHE 41 1HE PHE 41 -1.166 6.553 9.411 280 HZ PHE 41 HZ PHE 41 -3.487 6.870 8.651 281 H LEU 42 H LEU 42 2.299 3.786 5.531 282 HA LEU 42 HA LEU 42 3.419 1.149 4.955 283 HB2 LEU 42 1HB LEU 42 3.312 2.632 2.871 284 HB3 LEU 42 2HB LEU 42 4.559 3.602 3.652 285 HG LEU 42 HG LEU 42 5.931 1.455 3.758 286 HD11 LEU 42 1HD1 LEU 42 5.350 -0.198 1.994 287 HD12 LEU 42 2HD1 LEU 42 3.791 0.605 1.816 288 HD13 LEU 42 3HD1 LEU 42 4.216 -0.165 3.344 289 HD21 LEU 42 1HD2 LEU 42 5.766 1.867 0.925 290 HD22 LEU 42 2HD2 LEU 42 7.015 2.383 2.059 291 HD23 LEU 42 3HD2 LEU 42 5.609 3.408 1.769 292 H ASN 43 H ASN 43 4.409 0.755 6.837 293 HA ASN 43 HA ASN 43 6.040 0.874 8.432 294 HB2 ASN 43 1HB ASN 43 6.995 3.546 7.499 295 HB3 ASN 43 2HB ASN 43 7.920 2.171 8.096 296 HD21 ASN 43 1HD2 ASN 43 8.017 0.272 6.668 297 HD22 ASN 43 2HD2 ASN 43 8.086 0.537 4.962 298 H GLY 44 H GLY 44 3.390 1.924 8.770 299 HA2 GLY 44 1HA GLY 44 2.297 2.874 10.582 300 HA3 GLY 44 2HA GLY 44 3.848 3.445 11.178 301 H GLU 45 H GLU 45 3.656 4.360 8.019 302 HA GLU 45 HA GLU 45 2.674 7.028 8.778 303 HB2 GLU 45 1HB GLU 45 4.766 7.513 8.029 304 HB3 GLU 45 2HB GLU 45 4.855 6.075 7.022 305 HG2 GLU 45 1HG GLU 45 3.752 7.094 5.249 306 HG3 GLU 45 2HG GLU 45 3.088 8.367 6.270 307 H GLU 46 H GLU 46 1.363 8.203 7.303 308 HA GLU 46 HA GLU 46 -0.411 6.479 5.771 309 HB2 GLU 46 1HB GLU 46 -1.504 8.030 7.233 310 HB3 GLU 46 2HB GLU 46 -0.577 9.378 6.590 311 HG2 GLU 46 1HG GLU 46 -1.733 8.624 4.335 312 HG3 GLU 46 2HG GLU 46 -2.929 7.977 5.456 313 H LEU 47 H LEU 47 -0.519 6.401 3.609 314 HA LEU 47 HA LEU 47 1.476 7.838 2.082 315 HB2 LEU 47 1HB LEU 47 -0.491 5.665 1.452 316 HB3 LEU 47 2HB LEU 47 0.393 6.495 0.173 317 HG LEU 47 HG LEU 47 1.692 4.987 2.439 318 HD11 LEU 47 1HD1 LEU 47 2.252 3.411 0.469 319 HD12 LEU 47 2HD1 LEU 47 0.846 4.143 -0.303 320 HD13 LEU 47 3HD1 LEU 47 0.667 3.297 1.234 321 HD21 LEU 47 1HD2 LEU 47 3.704 5.178 1.098 322 HD22 LEU 47 2HD2 LEU 47 3.052 6.779 1.449 323 HD23 LEU 47 3HD2 LEU 47 2.818 6.061 -0.146 324 H LYS 48 H LYS 48 1.134 9.491 0.705 325 HA LYS 48 HA LYS 48 -1.542 10.667 0.673 326 HB2 LYS 48 1HB LYS 48 1.135 11.783 -0.183 327 HB3 LYS 48 2HB LYS 48 -0.385 12.666 -0.252 328 HG2 LYS 48 1HG LYS 48 0.607 13.409 1.711 329 HG3 LYS 48 2HG LYS 48 -0.551 12.196 2.261 330 HD2 LYS 48 1HD LYS 48 1.143 10.598 2.629 331 HD3 LYS 48 2HD LYS 48 2.328 11.527 1.709 332 HE2 LYS 48 1HE LYS 48 2.977 12.039 3.844 333 HE3 LYS 48 2HE LYS 48 1.835 13.348 3.541 334 HZ1 LYS 48 1HZ LYS 48 1.762 11.550 5.615 335 HZ2 LYS 48 2HZ LYS 48 0.520 11.051 4.581 336 HZ3 LYS 48 3HZ LYS 48 0.540 12.634 5.176 337 H SER 49 H SER 49 -2.725 9.662 -0.874 338 HA SER 49 HA SER 49 -1.931 8.554 -3.245 339 HB2 SER 49 1HB SER 49 -4.499 10.007 -2.589 340 HB3 SER 49 2HB SER 49 -4.260 9.091 -4.077 341 HG SER 49 HG SER 49 -4.174 8.110 -1.417 342 H ASN 50 H ASN 50 -3.343 11.825 -3.016 343 HA ASN 50 HA ASN 50 -2.858 12.692 -5.565 344 HB2 ASN 50 1HB ASN 50 -2.870 14.980 -4.671 345 HB3 ASN 50 2HB ASN 50 -4.122 13.997 -3.918 346 HD21 ASN 50 1HD2 ASN 50 -2.730 16.431 -3.006 347 HD22 ASN 50 2HD2 ASN 50 -2.071 16.031 -1.460 348 H GLU 51 H GLU 51 -1.229 14.244 -6.374 349 HA GLU 51 HA GLU 51 1.344 13.196 -6.297 350 HB2 GLU 51 1HB GLU 51 0.492 16.003 -7.031 351 HB3 GLU 51 2HB GLU 51 2.045 15.279 -7.424 352 HG2 GLU 51 1HG GLU 51 -0.616 14.236 -8.364 353 HG3 GLU 51 2HG GLU 51 0.447 15.282 -9.304 354 HA PRO 52 HA PRO 52 2.915 14.690 -2.444 355 HB2 PRO 52 1HB PRO 52 5.535 14.145 -2.901 356 HB3 PRO 52 2HB PRO 52 4.346 12.894 -2.519 357 HG2 PRO 52 1HG PRO 52 5.444 13.714 -5.180 358 HG3 PRO 52 2HG PRO 52 5.149 12.085 -4.545 359 HD2 PRO 52 1HD PRO 52 3.452 13.307 -6.264 360 HD3 PRO 52 2HD PRO 52 2.895 12.172 -5.018 361 H GLU 53 H GLU 53 2.380 16.926 -2.952 362 HA GLU 53 HA GLU 53 4.380 18.519 -4.316 363 HB2 GLU 53 1HB GLU 53 1.912 18.946 -4.516 364 HB3 GLU 53 2HB GLU 53 1.923 19.464 -2.836 365 HG2 GLU 53 1HG GLU 53 1.995 21.341 -4.414 366 HG3 GLU 53 2HG GLU 53 3.404 21.286 -3.355 367 H GLY 54 H GLY 54 6.178 19.067 -3.276 368 HA2 GLY 54 1HA GLY 54 6.325 20.715 -1.083 369 HA3 GLY 54 2HA GLY 54 6.366 19.088 -0.419 370 H GLN 55 H GLN 55 8.321 18.274 -0.114 371 HA GLN 55 HA GLN 55 10.606 19.539 -1.392 372 HB2 GLN 55 1HB GLN 55 10.316 17.552 0.851 373 HB3 GLN 55 2HB GLN 55 11.881 17.937 0.150 374 HG2 GLN 55 1HG GLN 55 11.501 19.229 2.158 375 HG3 GLN 55 2HG GLN 55 11.578 20.283 0.747 376 HE21 GLN 55 1HE2 GLN 55 9.200 18.481 2.666 377 HE22 GLN 55 2HE2 GLN 55 7.986 19.709 2.631 378 H VAL 56 H VAL 56 9.630 16.156 -0.800 379 HA VAL 56 HA VAL 56 11.382 14.982 -2.617 380 HB VAL 56 HB VAL 56 8.646 13.995 -1.795 381 HG11 VAL 56 1HG1 VAL 56 9.032 12.057 -2.864 382 HG12 VAL 56 2HG1 VAL 56 10.154 13.017 -3.831 383 HG13 VAL 56 3HG1 VAL 56 10.750 12.064 -2.471 384 HG21 VAL 56 1HG2 VAL 56 10.194 12.529 -0.296 385 HG22 VAL 56 2HG2 VAL 56 11.354 13.835 -0.540 386 HG23 VAL 56 3HG2 VAL 56 9.791 14.172 0.203 387 H GLU 57 H GLU 57 11.374 14.648 -4.768 388 HA GLU 57 HA GLU 57 9.967 16.241 -6.512 389 HB2 GLU 57 1HB GLU 57 10.781 13.494 -7.381 390 HB3 GLU 57 2HB GLU 57 10.917 15.019 -8.245 391 HG2 GLU 57 1HG GLU 57 12.606 15.625 -6.365 392 HG3 GLU 57 2HG GLU 57 12.681 13.880 -6.128 393 HA PRO 58 HA PRO 58 5.911 14.613 -6.914 394 HB2 PRO 58 1HB PRO 58 5.390 15.148 -9.525 395 HB3 PRO 58 2HB PRO 58 5.460 16.403 -8.282 396 HG2 PRO 58 1HG PRO 58 7.547 15.582 -10.265 397 HG3 PRO 58 2HG PRO 58 7.057 17.212 -9.766 398 HD2 PRO 58 1HD PRO 58 9.277 15.998 -8.800 399 HD3 PRO 58 2HD PRO 58 8.313 17.134 -7.834 400 H GLY 59 H GLY 59 8.463 13.436 -8.959 401 HA2 GLY 59 1HA GLY 59 6.954 10.925 -9.302 402 HA3 GLY 59 2HA GLY 59 7.817 11.639 -10.655 403 H ALA 60 H ALA 60 8.691 11.165 -7.236 404 HA ALA 60 HA ALA 60 11.355 10.398 -7.904 405 HB1 ALA 60 1HB ALA 60 10.573 11.533 -5.768 406 HB2 ALA 60 2HB ALA 60 10.031 9.937 -5.246 407 HB3 ALA 60 3HB ALA 60 11.738 10.220 -5.591 408 H LEU 61 H LEU 61 8.571 8.607 -6.585 409 HA LEU 61 HA LEU 61 9.854 6.124 -7.519 410 HB2 LEU 61 1HB LEU 61 9.087 4.962 -5.668 411 HB3 LEU 61 2HB LEU 61 9.594 6.510 -4.995 412 HG LEU 61 HG LEU 61 6.730 6.139 -5.731 413 HD11 LEU 61 1HD1 LEU 61 6.630 5.413 -3.168 414 HD12 LEU 61 2HD1 LEU 61 8.175 4.683 -3.600 415 HD13 LEU 61 3HD1 LEU 61 6.716 4.247 -4.487 416 HD21 LEU 61 1HD2 LEU 61 8.118 7.576 -3.471 417 HD22 LEU 61 2HD2 LEU 61 6.400 7.650 -3.862 418 HD23 LEU 61 3HD2 LEU 61 7.589 8.317 -4.981 419 H ARG 62 H ARG 62 8.353 4.392 -8.120 420 HA ARG 62 HA ARG 62 5.912 5.496 -9.340 421 HB2 ARG 62 1HB ARG 62 6.100 3.486 -10.873 422 HB3 ARG 62 2HB ARG 62 7.345 4.714 -11.057 423 HG2 ARG 62 1HG ARG 62 7.922 2.479 -9.206 424 HG3 ARG 62 2HG ARG 62 7.889 2.116 -10.932 425 HD2 ARG 62 1HD ARG 62 9.377 4.303 -11.044 426 HD3 ARG 62 2HD ARG 62 9.745 3.845 -9.382 427 HE ARG 62 HE ARG 62 10.783 1.892 -10.171 428 HH11 ARG 62 2HH1 ARG 62 9.532 3.869 -12.749 429 HH12 ARG 62 1HH1 ARG 62 10.459 3.079 -13.981 430 HH21 ARG 62 2HH2 ARG 62 12.009 0.844 -11.784 431 HH22 ARG 62 1HH2 ARG 62 11.867 1.357 -13.431 432 H TYR 63 H TYR 63 3.984 4.725 -8.747 433 HA TYR 63 HA TYR 63 3.653 2.062 -7.707 434 HB2 TYR 63 1HB TYR 63 2.790 2.705 -5.525 435 HB3 TYR 63 2HB TYR 63 4.443 3.282 -5.706 436 HD1 TYR 63 1HD TYR 63 4.504 5.763 -6.839 437 HD2 TYR 63 2HD TYR 63 1.343 4.158 -4.486 438 HE1 TYR 63 1HE TYR 63 3.775 8.043 -6.274 439 HE2 TYR 63 2HE TYR 63 0.604 6.434 -3.916 440 HH TYR 63 HH TYR 63 2.356 9.286 -5.105 441 H ARG 64 H ARG 64 1.247 1.966 -6.752 442 HA ARG 64 HA ARG 64 -0.589 3.706 -8.156 443 HB2 ARG 64 1HB ARG 64 0.105 1.934 -9.817 444 HB3 ARG 64 2HB ARG 64 -0.647 0.749 -8.758 445 HG2 ARG 64 1HG ARG 64 -2.800 1.867 -9.025 446 HG3 ARG 64 2HG ARG 64 -2.046 3.065 -10.079 447 HD2 ARG 64 1HD ARG 64 -2.077 0.101 -10.625 448 HD3 ARG 64 2HD ARG 64 -3.247 1.241 -11.286 449 HE ARG 64 HE ARG 64 -0.913 2.317 -12.058 450 HH11 ARG 64 2HH1 ARG 64 -2.172 -0.922 -12.266 451 HH12 ARG 64 1HH1 ARG 64 -1.303 -1.306 -13.715 452 HH21 ARG 64 2HH2 ARG 64 0.236 1.823 -13.965 453 HH22 ARG 64 1HH2 ARG 64 0.067 0.256 -14.680 454 H ILE 65 H ILE 65 -2.541 3.826 -7.163 455 HA ILE 65 HA ILE 65 -3.056 1.912 -4.981 456 HB ILE 65 HB ILE 65 -3.596 4.883 -4.996 457 HG12 ILE 65 1HG1 ILE 65 -1.852 3.217 -3.170 458 HG13 ILE 65 2HG1 ILE 65 -1.250 4.161 -4.529 459 HG21 ILE 65 1HG2 ILE 65 -4.751 2.694 -3.428 460 HG22 ILE 65 2HG2 ILE 65 -4.134 4.037 -2.468 461 HG23 ILE 65 3HG2 ILE 65 -5.350 4.328 -3.711 462 HD11 ILE 65 1HD1 ILE 65 -0.877 5.615 -2.820 463 HD12 ILE 65 2HD1 ILE 65 -2.503 6.112 -3.290 464 HD13 ILE 65 3HD1 ILE 65 -2.272 5.060 -1.894 465 H GLU 66 H GLU 66 -4.561 0.634 -5.945 466 HA GLU 66 HA GLU 66 -6.786 1.844 -7.382 467 HB2 GLU 66 1HB GLU 66 -5.677 -0.902 -7.103 468 HB3 GLU 66 2HB GLU 66 -7.394 -0.755 -7.446 469 HG2 GLU 66 1HG GLU 66 -5.142 0.375 -9.091 470 HG3 GLU 66 2HG GLU 66 -6.140 -1.022 -9.492 471 H GLN 67 H GLN 67 -8.668 2.299 -6.462 472 HA GLN 67 HA GLN 67 -9.492 0.795 -4.078 473 HB2 GLN 67 1HB GLN 67 -8.617 2.845 -3.202 474 HB3 GLN 67 2HB GLN 67 -9.474 3.795 -4.408 475 HG2 GLN 67 1HG GLN 67 -11.049 2.093 -2.546 476 HG3 GLN 67 2HG GLN 67 -10.355 3.600 -1.949 477 HE21 GLN 67 1HE2 GLN 67 -13.154 2.588 -2.627 478 HE22 GLN 67 2HE2 GLN 67 -13.830 3.868 -3.571 479 H LYS 68 H LYS 68 -11.026 -0.371 -5.188 480 HA LYS 68 HA LYS 68 -13.286 1.194 -6.246 481 HB2 LYS 68 1HB LYS 68 -11.895 -1.192 -7.384 482 HB3 LYS 68 2HB LYS 68 -13.626 -1.023 -7.647 483 HG2 LYS 68 1HG LYS 68 -12.735 -0.020 -9.520 484 HG3 LYS 68 2HG LYS 68 -13.025 1.360 -8.458 485 HD2 LYS 68 1HD LYS 68 -10.597 1.016 -7.688 486 HD3 LYS 68 2HD LYS 68 -10.427 0.014 -9.132 487 HE2 LYS 68 1HE LYS 68 -9.712 2.178 -9.750 488 HE3 LYS 68 2HE LYS 68 -11.321 1.983 -10.443 489 HZ1 LYS 68 1HZ LYS 68 -11.965 3.785 -9.360 490 HZ2 LYS 68 2HZ LYS 68 -10.421 3.971 -8.694 491 HZ3 LYS 68 3HZ LYS 68 -11.592 3.064 -7.876 492 H GLY 69 H GLY 69 -15.019 0.956 -5.004 493 HA2 GLY 69 1HA GLY 69 -16.415 0.088 -3.380 494 HA3 GLY 69 2HA GLY 69 -16.394 -1.313 -4.440 495 H LEU 70 H LEU 70 -16.055 -3.110 -3.330 496 HA LEU 70 HA LEU 70 -14.474 -3.016 -0.877 497 HB2 LEU 70 1HB LEU 70 -15.289 -5.491 -0.819 498 HB3 LEU 70 2HB LEU 70 -16.390 -4.176 -0.412 499 HG LEU 70 HG LEU 70 -16.336 -5.193 -3.215 500 HD11 LEU 70 1HD1 LEU 70 -17.923 -6.524 -1.032 501 HD12 LEU 70 2HD1 LEU 70 -16.423 -7.178 -1.687 502 HD13 LEU 70 3HD1 LEU 70 -17.828 -6.979 -2.734 503 HD21 LEU 70 1HD2 LEU 70 -18.896 -4.705 -1.978 504 HD22 LEU 70 2HD2 LEU 70 -18.168 -3.946 -3.394 505 HD23 LEU 70 3HD2 LEU 70 -17.821 -3.321 -1.781 506 H GLN 71 H GLN 71 -13.024 -2.699 -3.261 507 HA GLN 71 HA GLN 71 -11.297 -5.050 -3.093 508 HB2 GLN 71 1HB GLN 71 -12.913 -5.160 -5.104 509 HB3 GLN 71 2HB GLN 71 -11.932 -3.869 -5.784 510 HG2 GLN 71 1HG GLN 71 -9.990 -5.252 -5.795 511 HG3 GLN 71 2HG GLN 71 -10.821 -6.515 -4.889 512 HE21 GLN 71 1HE2 GLN 71 -10.304 -7.995 -6.541 513 HE22 GLN 71 2HE2 GLN 71 -11.185 -8.021 -8.027 514 H HIS 72 H HIS 72 -9.490 -4.171 -2.313 515 HA HIS 72 HA HIS 72 -8.462 -1.738 -3.621 516 HB2 HIS 72 1HB HIS 72 -8.074 -2.579 -0.740 517 HB3 HIS 72 2HB HIS 72 -7.394 -1.138 -1.492 518 HD2 HIS 72 2HD HIS 72 -11.147 -2.420 -1.259 519 HE1 HIS 72 1HE HIS 72 -10.948 1.684 -0.204 520 HE2 HIS 72 2HE HIS 72 -12.438 -0.332 -0.444 521 H ARG 73 H ARG 73 -6.346 -1.710 -4.247 522 HA ARG 73 HA ARG 73 -4.559 -3.858 -3.462 523 HB2 ARG 73 1HB ARG 73 -5.669 -4.897 -5.329 524 HB3 ARG 73 2HB ARG 73 -5.458 -3.457 -6.317 525 HG2 ARG 73 1HG ARG 73 -2.918 -3.895 -5.888 526 HG3 ARG 73 2HG ARG 73 -3.471 -5.535 -5.543 527 HD2 ARG 73 1HD ARG 73 -2.841 -5.360 -7.869 528 HD3 ARG 73 2HD ARG 73 -4.584 -5.592 -7.740 529 HE ARG 73 HE ARG 73 -4.241 -2.879 -7.854 530 HH11 ARG 73 2HH1 ARG 73 -3.365 -5.582 -9.865 531 HH12 ARG 73 1HH1 ARG 73 -3.436 -4.676 -11.340 532 HH21 ARG 73 2HH2 ARG 73 -4.338 -1.675 -9.789 533 HH22 ARG 73 1HH2 ARG 73 -3.989 -2.453 -11.296 534 H LEU 74 H LEU 74 -2.662 -2.954 -3.050 535 HA LEU 74 HA LEU 74 -1.934 -0.490 -4.487 536 HB2 LEU 74 1HB LEU 74 -2.032 0.127 -2.271 537 HB3 LEU 74 2HB LEU 74 -1.462 -1.440 -1.701 538 HG LEU 74 HG LEU 74 0.811 -0.843 -2.519 539 HD11 LEU 74 1HD1 LEU 74 1.007 1.779 -2.739 540 HD12 LEU 74 2HD1 LEU 74 -0.647 1.616 -3.328 541 HD13 LEU 74 3HD1 LEU 74 0.665 0.758 -4.136 542 HD21 LEU 74 1HD2 LEU 74 -0.165 -0.410 -0.160 543 HD22 LEU 74 2HD2 LEU 74 -0.118 1.288 -0.635 544 HD23 LEU 74 3HD2 LEU 74 1.369 0.337 -0.606 545 H ILE 75 H ILE 75 -0.382 -0.701 -5.945 546 HA ILE 75 HA ILE 75 1.474 -2.964 -5.733 547 HB ILE 75 HB ILE 75 0.964 -1.178 -8.114 548 HG12 ILE 75 1HG1 ILE 75 -0.040 -3.543 -8.869 549 HG13 ILE 75 2HG1 ILE 75 -0.342 -3.668 -7.139 550 HG21 ILE 75 1HG2 ILE 75 2.421 -3.810 -7.899 551 HG22 ILE 75 2HG2 ILE 75 2.164 -2.880 -9.374 552 HG23 ILE 75 3HG2 ILE 75 3.178 -2.229 -8.087 553 HD11 ILE 75 1HD1 ILE 75 -2.111 -2.354 -7.307 554 HD12 ILE 75 2HD1 ILE 75 -1.163 -1.096 -8.100 555 HD13 ILE 75 3HD1 ILE 75 -1.903 -2.378 -9.058 556 H LEU 76 H LEU 76 3.637 -2.694 -5.550 557 HA LEU 76 HA LEU 76 4.662 0.068 -5.541 558 HB2 LEU 76 1HB LEU 76 5.518 -2.192 -3.739 559 HB3 LEU 76 2HB LEU 76 6.177 -0.557 -3.740 560 HG LEU 76 HG LEU 76 3.288 -1.121 -3.121 561 HD11 LEU 76 1HD1 LEU 76 4.626 -2.400 -1.548 562 HD12 LEU 76 2HD1 LEU 76 3.893 -1.009 -0.750 563 HD13 LEU 76 3HD1 LEU 76 5.600 -0.974 -1.190 564 HD21 LEU 76 1HD2 LEU 76 4.244 1.200 -3.749 565 HD22 LEU 76 2HD2 LEU 76 4.958 1.160 -2.137 566 HD23 LEU 76 3HD2 LEU 76 3.207 1.055 -2.329 567 H HIS 77 H HIS 77 5.664 0.120 -7.488 568 HA HIS 77 HA HIS 77 7.298 -2.092 -8.388 569 HB2 HIS 77 1HB HIS 77 7.324 0.559 -9.760 570 HB3 HIS 77 2HB HIS 77 7.341 -1.061 -10.451 571 HD1 HIS 77 1HD HIS 77 5.022 -2.287 -10.626 572 HD2 HIS 77 2HD HIS 77 4.823 1.690 -9.441 573 HE1 HIS 77 1HE HIS 77 2.612 -1.625 -10.898 574 HE2 HIS 77 2HE HIS 77 2.531 0.809 -10.256 575 H ALA 78 H ALA 78 9.429 -2.293 -8.133 576 HA ALA 78 HA ALA 78 11.624 -1.781 -7.742 577 HB1 ALA 78 1HB ALA 78 10.578 0.639 -8.746 578 HB2 ALA 78 2HB ALA 78 11.571 1.044 -7.346 579 HB3 ALA 78 3HB ALA 78 12.263 0.124 -8.681 580 H VAL 79 H VAL 79 10.321 -2.717 -5.669 581 HA VAL 79 HA VAL 79 10.259 -0.973 -3.402 582 HB VAL 79 HB VAL 79 9.747 -2.917 -2.090 583 HG11 VAL 79 1HG1 VAL 79 7.703 -2.772 -2.943 584 HG12 VAL 79 2HG1 VAL 79 8.350 -2.251 -4.500 585 HG13 VAL 79 3HG1 VAL 79 8.156 -3.970 -4.155 586 HG21 VAL 79 1HG2 VAL 79 9.739 -5.187 -3.278 587 HG22 VAL 79 2HG2 VAL 79 10.817 -4.431 -4.452 588 HG23 VAL 79 3HG2 VAL 79 11.296 -4.541 -2.758 589 H LYS 80 H LYS 80 11.948 -0.290 -2.280 590 HA LYS 80 HA LYS 80 14.554 -1.463 -2.647 591 HB2 LYS 80 1HB LYS 80 13.604 0.807 -0.890 592 HB3 LYS 80 2HB LYS 80 15.287 0.331 -1.075 593 HG2 LYS 80 1HG LYS 80 15.071 2.119 -2.530 594 HG3 LYS 80 2HG LYS 80 14.901 0.716 -3.588 595 HD2 LYS 80 1HD LYS 80 12.518 0.957 -3.631 596 HD3 LYS 80 2HD LYS 80 12.572 2.208 -2.387 597 HE2 LYS 80 1HE LYS 80 13.976 3.559 -4.007 598 HE3 LYS 80 2HE LYS 80 13.536 2.371 -5.233 599 HZ1 LYS 80 1HZ LYS 80 11.256 2.930 -5.003 600 HZ2 LYS 80 2HZ LYS 80 12.101 4.385 -5.171 601 HZ3 LYS 80 3HZ LYS 80 11.549 3.898 -3.647 602 H HIS 81 H HIS 81 15.780 -2.558 -1.150 603 HA HIS 81 HA HIS 81 14.406 -4.167 0.724 604 HB2 HIS 81 1HB HIS 81 16.329 -5.163 -0.141 605 HB3 HIS 81 2HB HIS 81 17.298 -3.708 0.072 606 HD1 HIS 81 1HD HIS 81 15.946 -6.651 1.972 607 HD2 HIS 81 2HD HIS 81 18.542 -3.458 2.540 608 HE1 HIS 81 1HE HIS 81 17.130 -7.125 4.139 609 HE2 HIS 81 2HE HIS 81 18.634 -5.138 4.504 610 H GLN 82 H GLN 82 16.371 -1.257 1.042 611 HA GLN 82 HA GLN 82 16.857 -1.085 3.702 612 HB2 GLN 82 1HB GLN 82 16.735 1.332 3.506 613 HB3 GLN 82 2HB GLN 82 17.468 0.651 2.060 614 HG2 GLN 82 1HG GLN 82 15.575 1.067 0.761 615 HG3 GLN 82 2HG GLN 82 14.545 1.291 2.174 616 HE21 GLN 82 1HE2 GLN 82 13.818 3.302 1.622 617 HE22 GLN 82 2HE2 GLN 82 14.828 4.703 1.593 618 H ASP 83 H ASP 83 13.754 -0.930 2.153 619 HA ASP 83 HA ASP 83 12.450 -0.142 4.653 620 HB2 ASP 83 1HB ASP 83 11.409 -0.427 1.831 621 HB3 ASP 83 2HB ASP 83 10.381 -0.065 3.215 622 H SER 84 H SER 84 13.708 -2.732 4.402 623 HA SER 84 HA SER 84 11.970 -4.817 3.810 624 HB2 SER 84 1HB SER 84 13.413 -6.225 5.090 625 HB3 SER 84 2HB SER 84 14.438 -4.979 4.376 626 HG SER 84 HG SER 84 13.902 -5.508 7.002 627 H GLY 85 H GLY 85 10.888 -6.301 5.342 628 HA2 GLY 85 1HA GLY 85 9.097 -6.575 6.772 629 HA3 GLY 85 2HA GLY 85 10.204 -5.870 7.940 630 H ALA 86 H ALA 86 8.633 -4.379 5.129 631 HA ALA 86 HA ALA 86 7.951 -2.037 6.574 632 HB1 ALA 86 1HB ALA 86 7.858 -1.302 4.482 633 HB2 ALA 86 2HB ALA 86 7.824 -2.950 3.854 634 HB3 ALA 86 3HB ALA 86 6.319 -2.145 4.300 635 H LEU 87 H LEU 87 5.631 -1.197 6.569 636 HA LEU 87 HA LEU 87 3.823 -3.344 7.469 637 HB2 LEU 87 1HB LEU 87 4.821 -1.528 9.107 638 HB3 LEU 87 2HB LEU 87 3.512 -0.550 8.447 639 HG LEU 87 HG LEU 87 2.728 -1.487 10.478 640 HD11 LEU 87 1HD1 LEU 87 1.181 -1.532 8.524 641 HD12 LEU 87 2HD1 LEU 87 0.810 -2.724 9.770 642 HD13 LEU 87 3HD1 LEU 87 1.616 -3.225 8.283 643 HD21 LEU 87 1HD2 LEU 87 4.207 -3.233 10.958 644 HD22 LEU 87 2HD2 LEU 87 3.887 -4.049 9.428 645 HD23 LEU 87 3HD2 LEU 87 2.660 -4.037 10.695 646 H VAL 88 H VAL 88 2.673 -3.617 5.594 647 HA VAL 88 HA VAL 88 1.436 -1.271 4.356 648 HB VAL 88 HB VAL 88 1.385 -4.141 3.416 649 HG11 VAL 88 1HG1 VAL 88 0.836 -1.659 1.811 650 HG12 VAL 88 2HG1 VAL 88 0.501 -3.338 1.384 651 HG13 VAL 88 3HG1 VAL 88 -0.436 -2.546 2.651 652 HG21 VAL 88 1HG2 VAL 88 3.272 -1.882 2.849 653 HG22 VAL 88 2HG2 VAL 88 3.638 -3.552 3.281 654 HG23 VAL 88 3HG2 VAL 88 3.015 -3.173 1.676 655 H GLY 89 H GLY 89 -0.334 -0.680 5.487 656 HA2 GLY 89 1HA GLY 89 -2.423 -2.734 5.832 657 HA3 GLY 89 2HA GLY 89 -2.042 -1.617 7.134 658 H PHE 90 H PHE 90 -4.565 -2.025 5.709 659 HA PHE 90 HA PHE 90 -4.883 0.650 4.517 660 HB2 PHE 90 1HB PHE 90 -5.444 -0.861 2.815 661 HB3 PHE 90 2HB PHE 90 -6.234 -1.969 3.932 662 HD1 PHE 90 2HD PHE 90 -6.556 1.341 2.307 663 HD2 PHE 90 1HD PHE 90 -8.534 -1.833 4.339 664 HE1 PHE 90 2HE PHE 90 -8.732 2.351 1.760 665 HE2 PHE 90 1HE PHE 90 -10.713 -0.828 3.795 666 HZ PHE 90 HZ PHE 90 -10.814 1.267 2.505 667 H SER 91 H SER 91 -5.625 1.963 6.063 668 HA SER 91 HA SER 91 -7.482 0.985 8.074 669 HB2 SER 91 1HB SER 91 -7.184 3.168 9.130 670 HB3 SER 91 2HB SER 91 -5.615 2.471 8.731 671 HG SER 91 HG SER 91 -6.055 3.789 6.651 672 H CYS 92 H CYS 92 -9.616 1.308 8.065 673 HA CYS 92 HA CYS 92 -10.770 3.435 6.439 674 HB2 CYS 92 1HB CYS 92 -11.990 2.111 5.019 675 HB3 CYS 92 2HB CYS 92 -10.583 1.077 5.229 676 HG CYS 92 HG CYS 92 -13.517 0.734 6.959 677 HA PRO 93 HA PRO 93 -13.636 3.793 9.740 678 HB2 PRO 93 1HB PRO 93 -15.873 4.617 8.440 679 HB3 PRO 93 2HB PRO 93 -14.461 5.654 8.675 680 HG2 PRO 93 1HG PRO 93 -15.272 4.076 6.264 681 HG3 PRO 93 2HG PRO 93 -14.639 5.730 6.357 682 HD2 PRO 93 1HD PRO 93 -13.091 3.614 5.682 683 HD3 PRO 93 2HD PRO 93 -12.457 5.018 6.564 684 H GLY 94 H GLY 94 -13.580 1.389 10.018 685 HA2 GLY 94 1HA GLY 94 -15.814 0.180 10.689 686 HA3 GLY 94 2HA GLY 94 -15.924 0.000 8.944 687 H VAL 95 H VAL 95 -12.823 -0.143 9.075 688 HA VAL 95 HA VAL 95 -12.512 -2.824 10.194 689 HB VAL 95 HB VAL 95 -12.007 -2.148 7.297 690 HG11 VAL 95 1HG1 VAL 95 -10.989 -4.322 7.051 691 HG12 VAL 95 2HG1 VAL 95 -10.115 -3.405 8.279 692 HG13 VAL 95 3HG1 VAL 95 -11.244 -4.672 8.760 693 HG21 VAL 95 1HG2 VAL 95 -13.375 -4.418 7.215 694 HG22 VAL 95 2HG2 VAL 95 -13.963 -3.829 8.770 695 HG23 VAL 95 3HG2 VAL 95 -14.177 -2.850 7.318 696 H GLN 96 H GLN 96 -10.368 -3.406 10.641 697 HA GLN 96 HA GLN 96 -8.274 -1.452 10.082 698 HB2 GLN 96 1HB GLN 96 -8.968 -0.628 12.178 699 HB3 GLN 96 2HB GLN 96 -9.209 -2.244 12.829 700 HG2 GLN 96 1HG GLN 96 -6.469 -1.484 11.987 701 HG3 GLN 96 2HG GLN 96 -7.114 -0.768 13.463 702 HE21 GLN 96 1HE2 GLN 96 -4.904 -2.540 13.286 703 HE22 GLN 96 2HE2 GLN 96 -5.309 -3.970 14.168 704 H ASP 97 H ASP 97 -6.893 -2.714 9.003 705 HA ASP 97 HA ASP 97 -5.711 -4.971 10.394 706 HB2 ASP 97 1HB ASP 97 -7.736 -5.662 8.829 707 HB3 ASP 97 2HB ASP 97 -6.515 -5.507 7.569 708 H SER 98 H SER 98 -3.725 -5.720 9.373 709 HA SER 98 HA SER 98 -2.601 -4.141 7.234 710 HB2 SER 98 1HB SER 98 -0.656 -3.370 8.586 711 HB3 SER 98 2HB SER 98 -2.178 -2.641 9.098 712 HG SER 98 HG SER 98 -1.011 -4.921 10.317 713 H ALA 99 H ALA 99 -0.622 -4.991 6.429 714 HA ALA 99 HA ALA 99 -0.025 -7.713 7.394 715 HB1 ALA 99 1HB ALA 99 -0.456 -6.656 4.661 716 HB2 ALA 99 2HB ALA 99 0.796 -7.882 4.865 717 HB3 ALA 99 3HB ALA 99 -0.864 -8.228 5.349 718 H ALA 100 H ALA 100 2.221 -8.398 6.319 719 HA ALA 100 HA ALA 100 4.127 -6.258 7.006 720 HB1 ALA 100 1HB ALA 100 5.648 -7.936 7.793 721 HB2 ALA 100 2HB ALA 100 4.081 -8.201 8.558 722 HB3 ALA 100 3HB ALA 100 4.593 -9.228 7.219 723 H LEU 101 H LEU 101 5.691 -5.723 5.584 724 HA LEU 101 HA LEU 101 5.742 -7.199 3.039 725 HB2 LEU 101 1HB LEU 101 5.028 -4.938 2.737 726 HB3 LEU 101 2HB LEU 101 6.379 -4.330 3.691 727 HG LEU 101 HG LEU 101 7.918 -5.137 1.901 728 HD11 LEU 101 1HD1 LEU 101 5.625 -5.311 0.026 729 HD12 LEU 101 2HD1 LEU 101 5.963 -6.706 1.049 730 HD13 LEU 101 3HD1 LEU 101 7.206 -6.089 -0.039 731 HD21 LEU 101 1HD2 LEU 101 6.760 -2.794 2.112 732 HD22 LEU 101 2HD2 LEU 101 5.953 -3.293 0.625 733 HD23 LEU 101 3HD2 LEU 101 7.714 -3.201 0.685 734 H THR 102 H THR 102 7.403 -8.555 2.934 735 HA THR 102 HA THR 102 9.920 -7.862 4.264 736 HB THR 102 HB THR 102 9.045 -10.493 3.053 737 HG1 THR 102 1HG THR 102 9.264 -9.675 5.778 738 HG21 THR 102 1HG2 THR 102 11.266 -10.877 3.053 739 HG22 THR 102 2HG2 THR 102 11.060 -11.058 4.795 740 HG23 THR 102 3HG2 THR 102 11.601 -9.519 4.126 741 H ILE 103 H ILE 103 11.879 -7.791 3.186 742 HA ILE 103 HA ILE 103 11.883 -8.140 0.284 743 HB ILE 103 HB ILE 103 12.862 -5.606 1.604 744 HG12 ILE 103 1HG1 ILE 103 10.582 -5.887 -0.352 745 HG13 ILE 103 2HG1 ILE 103 10.339 -5.926 1.391 746 HG21 ILE 103 1HG2 ILE 103 12.962 -6.634 -1.210 747 HG22 ILE 103 2HG2 ILE 103 13.019 -4.907 -0.860 748 HG23 ILE 103 3HG2 ILE 103 14.266 -5.978 -0.222 749 HD11 ILE 103 1HD1 ILE 103 11.509 -3.649 -0.188 750 HD12 ILE 103 2HD1 ILE 103 9.893 -3.721 0.513 751 HD13 ILE 103 3HD1 ILE 103 11.309 -3.686 1.563 752 H GLN 104 H GLN 104 13.537 -9.415 -0.184 753 HA GLN 104 HA GLN 104 15.841 -9.502 1.615 754 HB2 GLN 104 1HB GLN 104 14.775 -11.367 -0.486 755 HB3 GLN 104 2HB GLN 104 16.418 -11.531 0.119 756 HG2 GLN 104 1HG GLN 104 13.927 -11.615 1.807 757 HG3 GLN 104 2HG GLN 104 14.837 -13.020 1.254 758 HE21 GLN 104 1HE2 GLN 104 14.773 -10.310 3.416 759 HE22 GLN 104 2HE2 GLN 104 16.100 -10.805 4.406 760 H GLU 105 H GLU 105 17.771 -8.701 1.083 761 HA GLU 105 HA GLU 105 18.169 -7.007 -1.075 762 HB2 GLU 105 1HB GLU 105 19.981 -8.389 0.848 763 HB3 GLU 105 2HB GLU 105 20.699 -7.612 -0.556 764 HG2 GLU 105 1HG GLU 105 19.515 -5.514 0.102 765 HG3 GLU 105 2HG GLU 105 19.039 -6.325 1.593 766 H SER 106 H SER 106 19.864 -7.269 -2.797 767 HA SER 106 HA SER 106 19.415 -9.823 -4.161 768 HB2 SER 106 1HB SER 106 20.083 -8.646 -6.204 769 HB3 SER 106 2HB SER 106 18.800 -7.764 -5.376 770 HG SER 106 HG SER 106 21.419 -7.093 -4.724 771 H SER 107 H SER 107 21.022 -11.207 -4.642 772 HA SER 107 HA SER 107 23.534 -10.923 -3.332 773 HB2 SER 107 1HB SER 107 22.434 -12.965 -5.262 774 HB3 SER 107 2HB SER 107 24.077 -13.061 -4.627 775 HG SER 107 HG SER 107 22.155 -14.140 -3.483 776 H GLY 108 H GLY 108 22.770 -11.312 -6.802 777 HA2 GLY 108 1HA GLY 108 23.658 -10.083 -8.585 778 HA3 GLY 108 2HA GLY 108 24.776 -9.314 -7.469 779 HA PRO 109 HA PRO 109 27.295 -12.210 -9.986 780 HB2 PRO 109 1HB PRO 109 29.465 -10.581 -10.070 781 HB3 PRO 109 2HB PRO 109 28.115 -10.442 -11.202 782 HG2 PRO 109 1HG PRO 109 28.693 -8.844 -8.738 783 HG3 PRO 109 2HG PRO 109 28.133 -8.288 -10.326 784 HD2 PRO 109 1HD PRO 109 26.460 -8.606 -8.221 785 HD3 PRO 109 2HD PRO 109 25.944 -8.872 -9.899 786 H SER 110 H SER 110 28.061 -10.373 -7.073 787 HA SER 110 HA SER 110 30.370 -11.723 -6.281 788 HB2 SER 110 1HB SER 110 28.214 -10.311 -4.716 789 HB3 SER 110 2HB SER 110 29.613 -11.036 -3.924 790 HG SER 110 HG SER 110 30.389 -9.543 -6.027 791 H SER 111 H SER 111 30.366 -13.910 -6.429 792 HA SER 111 HA SER 111 28.410 -15.347 -4.757 793 HB2 SER 111 1HB SER 111 28.119 -15.721 -7.223 794 HB3 SER 111 2HB SER 111 29.733 -16.430 -7.253 795 HG SER 111 HG SER 111 28.253 -17.528 -5.287 796 H GLY 112 H GLY 112 29.218 -16.594 -3.189 797 HA2 GLY 112 1HA GLY 112 31.961 -17.597 -3.412 798 HA3 GLY 112 2HA GLY 112 31.582 -16.559 -2.045
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