NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8980 | 1n7t | 5631 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 14.086 -15.841 -32.008 2 2H GLY 1 2H GLY 1 15.191 -16.890 -31.275 3 3H GLY 1 3H GLY 1 13.940 -17.513 -32.228 4 1HA GLY 1 1HA GLY 1 15.958 -17.607 -33.486 5 2HA GLY 1 2HA GLY 1 14.882 -16.409 -34.186 6 H SER 2 H SER 2 15.218 -14.221 -32.658 7 HA SER 2 HA SER 2 18.009 -13.680 -32.195 8 1HB SER 2 1HB SER 2 18.150 -11.848 -33.865 9 2HB SER 2 2HB SER 2 17.954 -13.430 -34.619 10 HG SER 2 HG SER 2 16.571 -11.556 -35.335 11 H HIS 3 H HIS 3 18.195 -11.105 -31.940 12 HA HIS 3 HA HIS 3 16.399 -10.465 -29.798 13 1HB HIS 3 1HB HIS 3 18.906 -9.867 -30.018 14 2HB HIS 3 2HB HIS 3 18.351 -8.535 -31.026 15 HD1 HIS 3 HD1 HIS 3 17.750 -6.450 -29.822 16 HD2 HIS 3 HD2 HIS 3 17.698 -9.767 -27.319 17 HE1 HIS 3 HE1 HIS 3 17.321 -5.546 -27.515 18 HE2 HIS 3 HE2 HIS 3 17.217 -7.578 -26.029 19 H MET 4 H MET 4 14.684 -9.121 -29.790 20 HA MET 4 HA MET 4 13.667 -8.217 -32.343 21 1HB MET 4 1HB MET 4 12.472 -7.893 -29.585 22 2HB MET 4 2HB MET 4 11.643 -7.653 -31.119 23 1HG MET 4 1HG MET 4 12.888 -10.293 -30.524 24 2HG MET 4 2HG MET 4 11.347 -9.868 -29.781 25 1HE MET 4 1HE MET 4 10.894 -12.049 -30.711 26 2HE MET 4 2HE MET 4 9.627 -11.982 -31.936 27 3HE MET 4 3HE MET 4 11.248 -12.523 -32.372 28 H GLY 5 H GLY 5 12.779 -6.007 -32.582 29 1HA GLY 5 1HA GLY 5 13.931 -3.930 -30.923 30 2HA GLY 5 2HA GLY 5 14.597 -4.021 -32.547 31 H HIS 6 H HIS 6 13.071 -3.823 -34.352 32 HA HIS 6 HA HIS 6 11.099 -1.771 -33.752 33 1HB HIS 6 1HB HIS 6 12.295 -2.802 -36.326 34 2HB HIS 6 2HB HIS 6 10.972 -1.641 -36.297 35 HD1 HIS 6 HD1 HIS 6 12.183 -0.048 -33.785 36 HD2 HIS 6 HD2 HIS 6 14.133 -0.973 -37.335 37 HE1 HIS 6 HE1 HIS 6 14.032 1.645 -33.999 38 HE2 HIS 6 HE2 HIS 6 15.147 1.115 -36.195 39 H GLU 7 H GLU 7 10.007 -3.777 -32.628 40 HA GLU 7 HA GLU 7 7.663 -4.345 -34.133 41 1HB GLU 7 1HB GLU 7 7.890 -6.836 -34.074 42 2HB GLU 7 2HB GLU 7 8.987 -6.041 -35.196 43 1HG GLU 7 1HG GLU 7 10.650 -6.129 -33.193 44 2HG GLU 7 2HG GLU 7 9.579 -7.404 -32.614 45 H LEU 8 H LEU 8 6.331 -6.116 -32.855 46 HA LEU 8 HA LEU 8 6.043 -5.094 -30.207 47 1HB LEU 8 1HB LEU 8 4.209 -5.950 -31.760 48 2HB LEU 8 2HB LEU 8 4.724 -7.565 -31.309 49 HG LEU 8 HG LEU 8 4.285 -6.940 -28.910 50 1HD1 LEU 8 1HD1 LEU 8 4.378 -4.513 -29.183 51 2HD1 LEU 8 2HD1 LEU 8 2.930 -4.569 -30.189 52 3HD1 LEU 8 3HD1 LEU 8 2.840 -5.024 -28.487 53 1HD2 LEU 8 1HD2 LEU 8 2.728 -8.270 -30.299 54 2HD2 LEU 8 2HD2 LEU 8 1.908 -7.302 -29.072 55 3HD2 LEU 8 3HD2 LEU 8 1.907 -6.776 -30.755 56 H ALA 9 H ALA 9 7.600 -5.587 -28.760 57 HA ALA 9 HA ALA 9 7.782 -8.221 -27.734 58 1HB ALA 9 1HB ALA 9 9.158 -8.434 -29.817 59 2HB ALA 9 2HB ALA 9 10.289 -7.280 -29.109 60 3HB ALA 9 3HB ALA 9 10.006 -8.833 -28.322 61 H LYS 10 H LYS 10 10.120 -8.224 -26.394 62 HA LYS 10 HA LYS 10 9.662 -6.402 -24.298 63 1HB LYS 10 1HB LYS 10 11.425 -8.632 -24.852 64 2HB LYS 10 2HB LYS 10 12.304 -7.354 -24.023 65 1HG LYS 10 1HG LYS 10 10.430 -7.337 -22.332 66 2HG LYS 10 2HG LYS 10 9.852 -8.818 -23.096 67 1HD LYS 10 1HD LYS 10 11.176 -9.549 -21.302 68 2HD LYS 10 2HD LYS 10 12.209 -9.726 -22.722 69 1HE LYS 10 1HE LYS 10 13.137 -7.438 -22.163 70 2HE LYS 10 2HE LYS 10 12.291 -7.573 -20.622 71 1HZ LYS 10 1HZ LYS 10 13.545 -9.609 -20.178 72 2HZ LYS 10 2HZ LYS 10 14.385 -9.421 -21.635 73 3HZ LYS 10 3HZ LYS 10 14.572 -8.284 -20.398 74 H GLN 11 H GLN 11 9.878 -4.259 -24.623 75 HA GLN 11 HA GLN 11 12.205 -3.252 -26.091 76 1HB GLN 11 1HB GLN 11 10.969 -1.062 -25.963 77 2HB GLN 11 2HB GLN 11 10.153 -2.326 -26.873 78 1HG GLN 11 1HG GLN 11 9.383 -2.379 -24.090 79 2HG GLN 11 2HG GLN 11 9.104 -0.792 -24.801 80 1HE2 GLN 11 2HE2 GLN 11 7.908 -3.900 -24.407 81 2HE2 GLN 11 1HE2 GLN 11 6.628 -3.835 -25.564 82 H GLU 12 H GLU 12 13.155 -1.156 -25.193 83 HA GLU 12 HA GLU 12 13.260 -1.197 -22.252 84 1HB GLU 12 1HB GLU 12 15.230 -2.359 -23.494 85 2HB GLU 12 2HB GLU 12 15.742 -0.718 -23.869 86 1HG GLU 12 1HG GLU 12 15.687 -0.231 -21.418 87 2HG GLU 12 2HG GLU 12 15.401 -1.950 -21.148 88 H ILE 13 H ILE 13 12.092 0.662 -21.989 89 HA ILE 13 HA ILE 13 13.178 3.105 -23.245 90 HB ILE 13 HB ILE 13 10.973 4.158 -22.738 91 1HG1 ILE 13 1HG1 ILE 13 10.384 2.306 -21.025 92 2HG1 ILE 13 2HG1 ILE 13 9.097 2.939 -22.037 93 1HG2 ILE 13 1HG2 ILE 13 11.165 1.871 -24.672 94 2HG2 ILE 13 2HG2 ILE 13 9.796 2.982 -24.643 95 3HG2 ILE 13 3HG2 ILE 13 11.419 3.590 -24.971 96 1HD1 ILE 13 1HD1 ILE 13 10.305 0.640 -23.280 97 2HD1 ILE 13 2HD1 ILE 13 9.795 0.268 -21.633 98 3HD1 ILE 13 3HD1 ILE 13 8.631 0.906 -22.792 99 H ARG 14 H ARG 14 13.070 5.089 -22.012 100 HA ARG 14 HA ARG 14 13.465 4.628 -19.127 101 1HB ARG 14 1HB ARG 14 15.414 5.430 -20.695 102 2HB ARG 14 2HB ARG 14 14.618 6.993 -20.561 103 1HG ARG 14 1HG ARG 14 14.745 6.700 -18.056 104 2HG ARG 14 2HG ARG 14 15.813 5.332 -18.365 105 1HD ARG 14 1HD ARG 14 17.281 7.097 -18.016 106 2HD ARG 14 2HD ARG 14 17.196 6.983 -19.767 107 HE ARG 14 HE ARG 14 16.132 9.108 -18.082 108 1HH1 ARG 14 1HH1 ARG 14 16.295 7.770 -21.341 109 2HH1 ARG 14 2HH1 ARG 14 15.869 9.269 -22.085 110 1HH2 ARG 14 1HH2 ARG 14 15.562 11.040 -19.100 111 2HH2 ARG 14 2HH2 ARG 14 15.453 11.110 -20.827 112 H VAL 15 H VAL 15 12.810 6.331 -17.681 113 HA VAL 15 HA VAL 15 10.884 8.250 -18.792 114 HB VAL 15 HB VAL 15 9.373 7.788 -16.842 115 1HG1 VAL 15 1HG1 VAL 15 9.818 5.516 -18.776 116 2HG1 VAL 15 2HG1 VAL 15 8.348 5.800 -17.842 117 3HG1 VAL 15 3HG1 VAL 15 8.850 6.961 -19.070 118 1HG2 VAL 15 1HG2 VAL 15 11.299 5.513 -16.490 119 2HG2 VAL 15 2HG2 VAL 15 10.733 6.676 -15.291 120 3HG2 VAL 15 3HG2 VAL 15 9.642 5.429 -15.895 121 H ARG 16 H ARG 16 10.722 10.186 -17.695 122 HA ARG 16 HA ARG 16 12.713 10.609 -15.567 123 1HB ARG 16 1HB ARG 16 12.157 12.026 -17.987 124 2HB ARG 16 2HB ARG 16 11.790 13.100 -16.644 125 1HG ARG 16 1HG ARG 16 14.016 12.796 -15.750 126 2HG ARG 16 2HG ARG 16 14.392 11.630 -17.020 127 1HD ARG 16 1HD ARG 16 13.652 14.515 -17.497 128 2HD ARG 16 2HD ARG 16 15.303 13.898 -17.452 129 HE ARG 16 HE ARG 16 13.577 12.563 -19.339 130 1HH1 ARG 16 1HH1 ARG 16 15.826 15.221 -18.874 131 2HH1 ARG 16 2HH1 ARG 16 16.197 15.350 -20.560 132 1HH2 ARG 16 1HH2 ARG 16 14.081 12.753 -21.545 133 2HH2 ARG 16 2HH2 ARG 16 15.212 13.956 -22.069 134 H VAL 17 H VAL 17 11.745 10.479 -13.637 135 HA VAL 17 HA VAL 17 9.113 11.763 -13.285 136 HB VAL 17 HB VAL 17 10.362 9.713 -11.451 137 1HG1 VAL 17 1HG1 VAL 17 8.649 11.188 -10.464 138 2HG1 VAL 17 2HG1 VAL 17 7.510 10.664 -11.704 139 3HG1 VAL 17 3HG1 VAL 17 8.133 9.503 -10.532 140 1HG2 VAL 17 1HG2 VAL 17 9.976 8.756 -13.692 141 2HG2 VAL 17 2HG2 VAL 17 8.926 8.048 -12.465 142 3HG2 VAL 17 3HG2 VAL 17 8.285 9.246 -13.589 143 H GLU 18 H GLU 18 9.327 13.748 -12.475 144 HA GLU 18 HA GLU 18 11.561 14.401 -10.734 145 1HB GLU 18 1HB GLU 18 9.437 16.003 -12.123 146 2HB GLU 18 2HB GLU 18 10.390 16.720 -10.831 147 1HG GLU 18 1HG GLU 18 11.553 17.337 -12.721 148 2HG GLU 18 2HG GLU 18 12.424 15.900 -12.188 149 H LYS 19 H LYS 19 11.458 14.540 -8.590 150 HA LYS 19 HA LYS 19 9.000 13.865 -7.249 151 1HB LYS 19 1HB LYS 19 11.856 14.182 -6.471 152 2HB LYS 19 2HB LYS 19 10.648 14.371 -5.206 153 1HG LYS 19 1HG LYS 19 9.732 12.117 -6.224 154 2HG LYS 19 2HG LYS 19 11.404 11.961 -6.765 155 1HD LYS 19 1HD LYS 19 11.031 12.768 -3.952 156 2HD LYS 19 2HD LYS 19 10.518 11.129 -4.357 157 1HE LYS 19 1HE LYS 19 12.650 10.461 -4.931 158 2HE LYS 19 2HE LYS 19 13.181 12.103 -5.289 159 1HZ LYS 19 1HZ LYS 19 12.645 11.016 -2.576 160 2HZ LYS 19 2HZ LYS 19 14.175 11.268 -3.250 161 3HZ LYS 19 3HZ LYS 19 13.165 12.587 -2.923 162 H ASP 20 H ASP 20 7.511 15.316 -6.793 163 HA ASP 20 HA ASP 20 8.105 17.705 -5.365 164 1HB ASP 20 1HB ASP 20 8.658 18.308 -7.782 165 2HB ASP 20 2HB ASP 20 6.937 18.143 -8.116 166 HA PRO 21 HA PRO 21 7.500 17.461 -3.459 167 1HB PRO 21 1HB PRO 21 5.885 15.979 -1.569 168 2HB PRO 21 2HB PRO 21 6.289 17.696 -1.562 169 1HG PRO 21 1HG PRO 21 3.766 16.726 -1.994 170 2HG PRO 21 2HG PRO 21 4.345 18.288 -2.602 171 1HD PRO 21 1HD PRO 21 4.112 15.663 -4.035 172 2HD PRO 21 2HD PRO 21 3.696 17.296 -4.601 173 H GLU 22 H GLU 22 5.853 14.526 -4.448 174 HA GLU 22 HA GLU 22 8.313 13.023 -3.877 175 1HB GLU 22 1HB GLU 22 5.505 12.069 -3.287 176 2HB GLU 22 2HB GLU 22 6.961 11.091 -3.141 177 1HG GLU 22 1HG GLU 22 6.564 13.645 -1.615 178 2HG GLU 22 2HG GLU 22 6.041 12.076 -1.008 179 H LEU 23 H LEU 23 7.861 10.639 -4.877 180 HA LEU 23 HA LEU 23 7.914 11.003 -7.665 181 1HB LEU 23 1HB LEU 23 7.642 8.526 -5.970 182 2HB LEU 23 2HB LEU 23 7.787 8.478 -7.720 183 HG LEU 23 HG LEU 23 9.932 10.058 -6.989 184 1HD1 LEU 23 1HD1 LEU 23 9.376 9.353 -4.597 185 2HD1 LEU 23 2HD1 LEU 23 9.966 7.759 -5.065 186 3HD1 LEU 23 3HD1 LEU 23 11.041 9.154 -5.144 187 1HD2 LEU 23 1HD2 LEU 23 9.868 7.073 -7.424 188 2HD2 LEU 23 2HD2 LEU 23 10.012 8.315 -8.668 189 3HD2 LEU 23 3HD2 LEU 23 11.312 8.084 -7.499 190 H GLY 24 H GLY 24 5.483 9.258 -5.692 191 1HA GLY 24 1HA GLY 24 3.136 9.693 -5.968 192 2HA GLY 24 2HA GLY 24 3.447 10.114 -7.642 193 H PHE 25 H PHE 25 4.787 7.243 -6.094 194 HA PHE 25 HA PHE 25 2.721 5.500 -7.030 195 1HB PHE 25 1HB PHE 25 4.000 4.295 -8.717 196 2HB PHE 25 2HB PHE 25 3.842 5.987 -9.170 197 HD1 PHE 25 HD1 PHE 25 6.171 3.506 -7.715 198 HD2 PHE 25 HD2 PHE 25 5.732 7.310 -9.575 199 HE1 PHE 25 HE1 PHE 25 8.612 3.651 -7.989 200 HE2 PHE 25 HE2 PHE 25 8.173 7.460 -9.849 201 HZ PHE 25 HZ PHE 25 9.615 5.629 -9.057 202 H SER 26 H SER 26 3.079 3.276 -6.476 203 HA SER 26 HA SER 26 5.052 2.973 -4.311 204 1HB SER 26 1HB SER 26 3.469 0.991 -3.713 205 2HB SER 26 2HB SER 26 2.957 2.636 -3.342 206 HG SER 26 HG SER 26 2.242 1.208 -5.689 207 H ILE 27 H ILE 27 6.172 0.985 -4.073 208 HA ILE 27 HA ILE 27 6.361 -0.610 -6.551 209 HB ILE 27 HB ILE 27 8.740 -1.014 -5.996 210 1HG1 ILE 27 1HG1 ILE 27 8.430 1.193 -3.954 211 2HG1 ILE 27 2HG1 ILE 27 8.464 -0.517 -3.533 212 1HG2 ILE 27 1HG2 ILE 27 8.137 0.727 -7.589 213 2HG2 ILE 27 2HG2 ILE 27 8.006 1.898 -6.276 214 3HG2 ILE 27 3HG2 ILE 27 9.570 1.187 -6.669 215 1HD1 ILE 27 1HD1 ILE 27 10.691 0.493 -5.189 216 2HD1 ILE 27 2HD1 ILE 27 10.630 1.024 -3.508 217 3HD1 ILE 27 3HD1 ILE 27 10.688 -0.697 -3.886 218 H SER 28 H SER 28 6.704 -2.850 -6.321 219 HA SER 28 HA SER 28 6.544 -3.942 -3.606 220 1HB SER 28 1HB SER 28 4.230 -3.818 -4.461 221 2HB SER 28 2HB SER 28 4.706 -4.780 -5.861 222 HG SER 28 HG SER 28 4.031 -6.318 -4.542 223 H GLY 29 H GLY 29 6.849 -6.367 -3.630 224 1HA GLY 29 1HA GLY 29 7.795 -8.309 -4.591 225 2HA GLY 29 2HA GLY 29 8.426 -7.324 -5.903 226 H GLY 30 H GLY 30 10.524 -8.058 -5.755 227 1HA GLY 30 1HA GLY 30 12.692 -7.362 -5.028 228 2HA GLY 30 2HA GLY 30 12.013 -7.024 -3.443 229 H VAL 31 H VAL 31 14.362 -8.581 -4.072 230 HA VAL 31 HA VAL 31 13.689 -11.359 -3.731 231 HB VAL 31 HB VAL 31 16.397 -10.040 -3.436 232 1HG1 VAL 31 1HG1 VAL 31 16.260 -12.313 -2.527 233 2HG1 VAL 31 2HG1 VAL 31 15.658 -12.892 -4.080 234 3HG1 VAL 31 3HG1 VAL 31 17.291 -12.239 -3.956 235 1HG2 VAL 31 1HG2 VAL 31 15.071 -11.180 -5.892 236 2HG2 VAL 31 2HG2 VAL 31 15.507 -9.494 -5.610 237 3HG2 VAL 31 3HG2 VAL 31 16.768 -10.713 -5.779 238 H GLY 32 H GLY 32 12.639 -11.694 -1.817 239 1HA GLY 32 1HA GLY 32 12.919 -12.456 0.417 240 2HA GLY 32 2HA GLY 32 14.264 -11.343 0.599 241 H GLY 33 H GLY 33 11.919 -9.511 -0.862 242 1HA GLY 33 1HA GLY 33 11.293 -8.177 1.607 243 2HA GLY 33 2HA GLY 33 10.770 -7.703 0.000 244 H ARG 34 H ARG 34 8.703 -7.236 0.873 245 HA ARG 34 HA ARG 34 7.099 -9.082 2.247 246 1HB ARG 34 1HB ARG 34 6.183 -6.845 0.430 247 2HB ARG 34 2HB ARG 34 5.231 -7.628 1.684 248 1HG ARG 34 1HG ARG 34 5.899 -6.009 3.050 249 2HG ARG 34 2HG ARG 34 7.490 -6.767 3.028 250 1HD ARG 34 1HD ARG 34 8.233 -5.323 1.276 251 2HD ARG 34 2HD ARG 34 6.604 -4.697 1.023 252 HE ARG 34 HE ARG 34 8.483 -3.910 3.074 253 1HH1 ARG 34 1HH1 ARG 34 5.111 -3.896 2.091 254 2HH1 ARG 34 2HH1 ARG 34 4.707 -2.543 3.094 255 1HH2 ARG 34 1HH2 ARG 34 7.927 -2.141 4.382 256 2HH2 ARG 34 2HH2 ARG 34 6.297 -1.552 4.388 257 H GLY 35 H GLY 35 7.765 -8.681 -1.160 258 1HA GLY 35 1HA GLY 35 7.493 -10.606 -2.614 259 2HA GLY 35 2HA GLY 35 6.053 -11.027 -1.702 260 H ASN 36 H ASN 36 6.302 -10.717 -4.558 261 HA ASN 36 HA ASN 36 4.569 -8.373 -5.015 262 1HB ASN 36 1HB ASN 36 5.246 -8.833 -7.501 263 2HB ASN 36 2HB ASN 36 6.375 -8.003 -6.439 264 1HD2 ASN 36 2HD2 ASN 36 5.532 -11.360 -7.298 265 2HD2 ASN 36 1HD2 ASN 36 7.163 -11.896 -7.474 266 HA PRO 37 HA PRO 37 1.554 -11.536 -6.062 267 1HB PRO 37 1HB PRO 37 -0.636 -10.030 -6.064 268 2HB PRO 37 2HB PRO 37 0.255 -10.332 -4.567 269 1HG PRO 37 1HG PRO 37 0.146 -7.881 -6.243 270 2HG PRO 37 2HG PRO 37 0.352 -8.041 -4.490 271 1HD PRO 37 1HD PRO 37 2.390 -7.645 -6.434 272 2HD PRO 37 2HD PRO 37 2.606 -7.971 -4.704 273 H PHE 38 H PHE 38 3.099 -10.277 -8.263 274 HA PHE 38 HA PHE 38 0.997 -10.204 -10.336 275 1HB PHE 38 1HB PHE 38 3.658 -8.796 -10.177 276 2HB PHE 38 2HB PHE 38 2.793 -8.984 -11.699 277 HD1 PHE 38 HD1 PHE 38 2.755 -7.394 -8.395 278 HD2 PHE 38 HD2 PHE 38 0.817 -7.711 -12.171 279 HE1 PHE 38 HE1 PHE 38 1.437 -5.380 -7.884 280 HE2 PHE 38 HE2 PHE 38 -0.505 -5.695 -11.667 281 HZ PHE 38 HZ PHE 38 -0.195 -4.529 -9.520 282 H ARG 39 H ARG 39 4.372 -11.166 -9.732 283 HA ARG 39 HA ARG 39 4.047 -13.288 -11.760 284 1HB ARG 39 1HB ARG 39 6.643 -12.031 -10.854 285 2HB ARG 39 2HB ARG 39 6.424 -13.171 -12.175 286 1HG ARG 39 1HG ARG 39 5.312 -10.374 -12.070 287 2HG ARG 39 2HG ARG 39 6.731 -10.889 -12.983 288 1HD ARG 39 1HD ARG 39 5.363 -12.369 -14.331 289 2HD ARG 39 2HD ARG 39 3.938 -11.958 -13.377 290 HE ARG 39 HE ARG 39 5.236 -9.705 -14.631 291 1HH1 ARG 39 1HH1 ARG 39 2.782 -12.191 -15.002 292 2HH1 ARG 39 2HH1 ARG 39 1.906 -11.306 -16.207 293 1HH2 ARG 39 1HH2 ARG 39 4.069 -8.566 -16.210 294 2HH2 ARG 39 2HH2 ARG 39 2.634 -9.258 -16.889 295 HA PRO 40 HA PRO 40 4.741 -16.022 -8.300 296 1HB PRO 40 1HB PRO 40 4.768 -18.380 -9.550 297 2HB PRO 40 2HB PRO 40 3.294 -17.409 -9.451 298 1HG PRO 40 1HG PRO 40 5.188 -17.754 -11.734 299 2HG PRO 40 2HG PRO 40 3.419 -17.653 -11.749 300 1HD PRO 40 1HD PRO 40 5.144 -15.555 -12.322 301 2HD PRO 40 2HD PRO 40 3.446 -15.377 -11.842 302 H ASP 41 H ASP 41 6.762 -16.622 -11.184 303 HA ASP 41 HA ASP 41 8.878 -17.701 -9.504 304 1HB ASP 41 1HB ASP 41 8.520 -17.499 -12.491 305 2HB ASP 41 2HB ASP 41 10.003 -18.087 -11.745 306 H ASP 42 H ASP 42 8.050 -14.601 -10.652 307 HA ASP 42 HA ASP 42 10.869 -13.752 -10.667 308 1HB ASP 42 1HB ASP 42 9.263 -13.254 -12.646 309 2HB ASP 42 2HB ASP 42 8.580 -12.031 -11.579 310 H ASP 43 H ASP 43 11.611 -12.706 -8.950 311 HA ASP 43 HA ASP 43 9.676 -11.499 -7.084 312 1HB ASP 43 1HB ASP 43 11.496 -11.772 -5.379 313 2HB ASP 43 2HB ASP 43 10.900 -13.292 -6.038 314 H GLY 44 H GLY 44 10.640 -10.127 -9.422 315 1HA GLY 44 1HA GLY 44 12.707 -8.289 -8.612 316 2HA GLY 44 2HA GLY 44 11.751 -8.202 -10.083 317 H ILE 45 H ILE 45 11.642 -5.900 -9.700 318 HA ILE 45 HA ILE 45 9.791 -5.132 -7.538 319 HB ILE 45 HB ILE 45 11.506 -3.231 -9.136 320 1HG1 ILE 45 1HG1 ILE 45 12.988 -4.824 -7.980 321 2HG1 ILE 45 2HG1 ILE 45 13.092 -3.221 -7.259 322 1HG2 ILE 45 1HG2 ILE 45 9.568 -2.286 -7.974 323 2HG2 ILE 45 2HG2 ILE 45 10.159 -2.955 -6.453 324 3HG2 ILE 45 3HG2 ILE 45 11.087 -1.709 -7.288 325 1HD1 ILE 45 1HD1 ILE 45 11.430 -5.474 -6.163 326 2HD1 ILE 45 2HD1 ILE 45 13.052 -5.055 -5.610 327 3HD1 ILE 45 3HD1 ILE 45 11.729 -3.906 -5.413 328 H PHE 46 H PHE 46 7.802 -4.366 -8.058 329 HA PHE 46 HA PHE 46 7.304 -3.588 -10.858 330 1HB PHE 46 1HB PHE 46 5.520 -5.309 -9.120 331 2HB PHE 46 2HB PHE 46 5.110 -4.720 -10.729 332 HD1 PHE 46 HD1 PHE 46 7.346 -6.957 -8.838 333 HD2 PHE 46 HD2 PHE 46 5.929 -5.787 -12.676 334 HE1 PHE 46 HE1 PHE 46 8.398 -8.948 -9.829 335 HE2 PHE 46 HE2 PHE 46 6.977 -7.775 -13.674 336 HZ PHE 46 HZ PHE 46 8.214 -9.360 -12.251 337 H VAL 47 H VAL 47 5.769 -1.988 -11.203 338 HA VAL 47 HA VAL 47 5.207 -0.302 -8.891 339 HB VAL 47 HB VAL 47 4.623 0.282 -11.800 340 1HG1 VAL 47 1HG1 VAL 47 3.408 1.642 -10.128 341 2HG1 VAL 47 2HG1 VAL 47 4.958 2.155 -9.462 342 3HG1 VAL 47 3HG1 VAL 47 4.521 2.590 -11.114 343 1HG2 VAL 47 1HG2 VAL 47 7.017 -0.170 -11.463 344 2HG2 VAL 47 2HG2 VAL 47 6.715 1.523 -11.855 345 3HG2 VAL 47 3HG2 VAL 47 7.060 1.051 -10.191 346 H THR 48 H THR 48 3.677 -1.941 -8.082 347 HA THR 48 HA THR 48 1.451 -3.022 -9.019 348 HB THR 48 HB THR 48 1.997 -3.266 -6.722 349 HG1 THR 48 HG1 THR 48 -0.153 -3.603 -6.995 350 1HG2 THR 48 1HG2 THR 48 1.042 -0.500 -6.100 351 2HG2 THR 48 2HG2 THR 48 1.923 -1.629 -5.070 352 3HG2 THR 48 3HG2 THR 48 2.741 -0.849 -6.423 353 H ARG 49 H ARG 49 1.299 0.407 -7.878 354 HA ARG 49 HA ARG 49 -0.646 1.001 -9.918 355 1HB ARG 49 1HB ARG 49 -2.410 1.725 -8.301 356 2HB ARG 49 2HB ARG 49 -2.159 -0.015 -8.368 357 1HG ARG 49 1HG ARG 49 -0.951 0.007 -6.310 358 2HG ARG 49 2HG ARG 49 -0.933 1.772 -6.281 359 1HD ARG 49 1HD ARG 49 -3.537 0.307 -6.365 360 2HD ARG 49 2HD ARG 49 -2.665 0.456 -4.840 361 HE ARG 49 HE ARG 49 -2.723 2.995 -5.703 362 1HH1 ARG 49 1HH1 ARG 49 -5.276 0.600 -5.406 363 2HH1 ARG 49 2HH1 ARG 49 -6.510 1.784 -5.128 364 1HH2 ARG 49 1HH2 ARG 49 -4.359 4.526 -5.334 365 2HH2 ARG 49 2HH2 ARG 49 -5.991 4.001 -5.088 366 H VAL 50 H VAL 50 -1.545 3.267 -9.627 367 HA VAL 50 HA VAL 50 0.481 5.043 -8.423 368 HB VAL 50 HB VAL 50 -1.005 5.618 -10.994 369 1HG1 VAL 50 1HG1 VAL 50 -0.178 7.538 -9.595 370 2HG1 VAL 50 2HG1 VAL 50 1.458 6.951 -9.889 371 3HG1 VAL 50 3HG1 VAL 50 0.453 7.476 -11.239 372 1HG2 VAL 50 1HG2 VAL 50 0.525 3.699 -11.270 373 2HG2 VAL 50 2HG2 VAL 50 1.026 5.112 -12.200 374 3HG2 VAL 50 3HG2 VAL 50 1.854 4.707 -10.697 375 H GLN 51 H GLN 51 -0.302 6.992 -7.517 376 HA GLN 51 HA GLN 51 -3.200 6.982 -7.027 377 1HB GLN 51 1HB GLN 51 -0.844 7.783 -5.406 378 2HB GLN 51 2HB GLN 51 -2.319 8.713 -5.182 379 1HG GLN 51 1HG GLN 51 -2.494 5.749 -5.133 380 2HG GLN 51 2HG GLN 51 -1.796 6.575 -3.741 381 1HE2 GLN 51 2HE2 GLN 51 -3.708 5.532 -2.727 382 2HE2 GLN 51 1HE2 GLN 51 -5.194 6.414 -2.721 383 HA PRO 52 HA PRO 52 -2.647 11.539 -8.184 384 1HB PRO 52 1HB PRO 52 -0.274 12.742 -8.370 385 2HB PRO 52 2HB PRO 52 -1.014 12.432 -6.793 386 1HG PRO 52 1HG PRO 52 1.128 10.888 -8.211 387 2HG PRO 52 2HG PRO 52 1.050 11.385 -6.510 388 1HD PRO 52 1HD PRO 52 0.367 8.883 -7.390 389 2HD PRO 52 2HD PRO 52 -0.314 9.635 -5.934 390 H GLU 53 H GLU 53 -3.266 11.621 -10.263 391 HA GLU 53 HA GLU 53 -1.698 10.394 -12.342 392 1HB GLU 53 1HB GLU 53 -4.333 11.853 -12.295 393 2HB GLU 53 2HB GLU 53 -3.575 11.371 -13.807 394 1HG GLU 53 1HG GLU 53 -3.479 9.023 -12.739 395 2HG GLU 53 2HG GLU 53 -4.688 9.659 -11.626 396 H GLY 54 H GLY 54 0.132 11.919 -11.705 397 1HA GLY 54 1HA GLY 54 0.114 14.143 -13.614 398 2HA GLY 54 2HA GLY 54 0.537 14.493 -11.945 399 HA PRO 55 HA PRO 55 4.773 13.480 -12.654 400 1HB PRO 55 1HB PRO 55 5.403 11.609 -10.714 401 2HB PRO 55 2HB PRO 55 5.361 13.355 -10.464 402 1HG PRO 55 1HG PRO 55 3.314 11.294 -9.790 403 2HG PRO 55 2HG PRO 55 3.797 12.740 -8.885 404 1HD PRO 55 1HD PRO 55 1.525 12.646 -10.332 405 2HD PRO 55 2HD PRO 55 2.475 14.135 -10.161 406 H ALA 56 H ALA 56 3.669 10.294 -11.487 407 HA ALA 56 HA ALA 56 4.841 9.096 -13.888 408 1HB ALA 56 1HB ALA 56 4.111 7.977 -11.194 409 2HB ALA 56 2HB ALA 56 4.552 6.951 -12.559 410 3HB ALA 56 3HB ALA 56 5.708 8.123 -11.927 411 H SER 57 H SER 57 2.444 10.396 -14.348 412 HA SER 57 HA SER 57 0.318 8.417 -14.336 413 1HB SER 57 1HB SER 57 -1.061 10.190 -15.313 414 2HB SER 57 2HB SER 57 -0.208 10.790 -13.891 415 HG SER 57 HG SER 57 1.174 11.908 -15.186 416 H LYS 58 H LYS 58 1.904 10.410 -16.818 417 HA LYS 58 HA LYS 58 1.112 8.503 -18.871 418 1HB LYS 58 1HB LYS 58 1.031 11.095 -19.035 419 2HB LYS 58 2HB LYS 58 2.753 10.965 -19.369 420 1HG LYS 58 1HG LYS 58 1.166 9.129 -20.971 421 2HG LYS 58 2HG LYS 58 0.706 10.813 -21.215 422 1HD LYS 58 1HD LYS 58 3.129 11.328 -21.602 423 2HD LYS 58 2HD LYS 58 3.445 9.593 -21.556 424 1HE LYS 58 1HE LYS 58 3.238 10.092 -23.834 425 2HE LYS 58 2HE LYS 58 1.679 9.400 -23.391 426 1HZ LYS 58 1HZ LYS 58 2.256 12.307 -23.589 427 2HZ LYS 58 2HZ LYS 58 1.460 11.393 -24.767 428 3HZ LYS 58 3HZ LYS 58 0.755 11.608 -23.245 429 H LEU 59 H LEU 59 3.759 8.753 -16.787 430 HA LEU 59 HA LEU 59 5.733 7.935 -18.762 431 1HB LEU 59 1HB LEU 59 5.830 8.648 -15.852 432 2HB LEU 59 2HB LEU 59 7.176 7.813 -16.608 433 HG LEU 59 HG LEU 59 7.541 10.236 -16.527 434 1HD1 LEU 59 1HD1 LEU 59 8.446 8.824 -18.377 435 2HD1 LEU 59 2HD1 LEU 59 7.074 9.331 -19.361 436 3HD1 LEU 59 3HD1 LEU 59 8.240 10.526 -18.789 437 1HD2 LEU 59 1HD2 LEU 59 5.147 10.873 -16.660 438 2HD2 LEU 59 2HD2 LEU 59 6.173 11.763 -17.785 439 3HD2 LEU 59 3HD2 LEU 59 5.164 10.439 -18.370 440 H LEU 60 H LEU 60 4.922 6.645 -15.520 441 HA LEU 60 HA LEU 60 5.562 3.964 -16.504 442 1HB LEU 60 1HB LEU 60 5.000 4.870 -13.678 443 2HB LEU 60 2HB LEU 60 5.660 3.320 -14.171 444 HG LEU 60 HG LEU 60 7.152 5.781 -14.935 445 1HD1 LEU 60 1HD1 LEU 60 7.148 4.588 -12.167 446 2HD1 LEU 60 2HD1 LEU 60 8.337 5.742 -12.773 447 3HD1 LEU 60 3HD1 LEU 60 6.646 6.219 -12.614 448 1HD2 LEU 60 1HD2 LEU 60 7.833 2.945 -14.213 449 2HD2 LEU 60 2HD2 LEU 60 8.040 3.759 -15.764 450 3HD2 LEU 60 3HD2 LEU 60 9.054 4.203 -14.391 451 H GLN 61 H GLN 61 4.195 2.217 -16.327 452 HA GLN 61 HA GLN 61 1.343 2.863 -15.900 453 1HB GLN 61 1HB GLN 61 0.852 0.971 -17.420 454 2HB GLN 61 2HB GLN 61 1.792 2.234 -18.204 455 1HG GLN 61 1HG GLN 61 3.745 0.952 -18.186 456 2HG GLN 61 2HG GLN 61 3.100 -0.171 -16.990 457 1HE2 GLN 61 2HE2 GLN 61 2.678 -2.075 -17.819 458 2HE2 GLN 61 1HE2 GLN 61 2.076 -2.392 -19.407 459 HA PRO 62 HA PRO 62 1.258 0.022 -12.504 460 1HB PRO 62 1HB PRO 62 -1.372 -0.989 -13.387 461 2HB PRO 62 2HB PRO 62 -0.930 -0.156 -11.895 462 1HG PRO 62 1HG PRO 62 -2.369 1.058 -13.800 463 2HG PRO 62 2HG PRO 62 -1.174 1.939 -12.829 464 1HD PRO 62 1HD PRO 62 -0.946 0.893 -15.628 465 2HD PRO 62 2HD PRO 62 -0.387 2.440 -14.955 466 H GLY 63 H GLY 63 2.220 -1.878 -12.247 467 1HA GLY 63 1HA GLY 63 2.425 -4.209 -12.459 468 2HA GLY 63 2HA GLY 63 1.458 -4.144 -13.921 469 H ASP 64 H ASP 64 4.071 -1.883 -13.710 470 HA ASP 64 HA ASP 64 5.456 -3.359 -15.815 471 1HB ASP 64 1HB ASP 64 4.862 -0.807 -15.831 472 2HB ASP 64 2HB ASP 64 6.310 -0.654 -14.841 473 H LYS 65 H LYS 65 7.703 -3.791 -15.741 474 HA LYS 65 HA LYS 65 8.686 -4.210 -13.011 475 1HB LYS 65 1HB LYS 65 8.501 -6.116 -14.678 476 2HB LYS 65 2HB LYS 65 9.822 -5.360 -15.557 477 1HG LYS 65 1HG LYS 65 11.281 -5.610 -13.641 478 2HG LYS 65 2HG LYS 65 9.954 -6.290 -12.697 479 1HD LYS 65 1HD LYS 65 9.799 -8.148 -14.320 480 2HD LYS 65 2HD LYS 65 11.189 -7.482 -15.180 481 1HE LYS 65 1HE LYS 65 11.268 -8.248 -12.270 482 2HE LYS 65 2HE LYS 65 11.677 -9.367 -13.570 483 1HZ LYS 65 1HZ LYS 65 13.362 -7.709 -14.300 484 2HZ LYS 65 2HZ LYS 65 13.048 -6.827 -12.892 485 3HZ LYS 65 3HZ LYS 65 13.677 -8.393 -12.784 486 H ILE 66 H ILE 66 10.387 -3.139 -12.215 487 HA ILE 66 HA ILE 66 11.691 -1.150 -13.900 488 HB ILE 66 HB ILE 66 12.105 -1.624 -10.942 489 1HG1 ILE 66 1HG1 ILE 66 10.288 0.449 -12.167 490 2HG1 ILE 66 2HG1 ILE 66 9.702 -1.131 -11.658 491 1HG2 ILE 66 1HG2 ILE 66 12.682 0.739 -12.725 492 2HG2 ILE 66 2HG2 ILE 66 12.851 0.734 -10.969 493 3HG2 ILE 66 3HG2 ILE 66 13.865 -0.319 -11.956 494 1HD1 ILE 66 1HD1 ILE 66 10.704 -0.576 -9.383 495 2HD1 ILE 66 2HD1 ILE 66 10.816 1.081 -9.977 496 3HD1 ILE 66 3HD1 ILE 66 9.245 0.288 -9.867 497 H ILE 67 H ILE 67 13.516 -1.647 -14.948 498 HA ILE 67 HA ILE 67 15.087 -3.939 -14.099 499 HB ILE 67 HB ILE 67 15.604 -2.187 -16.498 500 1HG1 ILE 67 1HG1 ILE 67 13.301 -2.993 -16.646 501 2HG1 ILE 67 2HG1 ILE 67 14.314 -3.835 -17.815 502 1HG2 ILE 67 1HG2 ILE 67 16.365 -5.023 -15.821 503 2HG2 ILE 67 2HG2 ILE 67 16.664 -4.241 -17.373 504 3HG2 ILE 67 3HG2 ILE 67 17.441 -3.629 -15.914 505 1HD1 ILE 67 1HD1 ILE 67 14.459 -5.741 -16.258 506 2HD1 ILE 67 2HD1 ILE 67 13.347 -4.903 -15.176 507 3HD1 ILE 67 3HD1 ILE 67 12.812 -5.392 -16.784 508 H GLN 68 H GLN 68 15.576 -0.446 -14.637 509 HA GLN 68 HA GLN 68 17.861 -0.554 -12.813 510 1HB GLN 68 1HB GLN 68 18.586 -0.788 -15.271 511 2HB GLN 68 2HB GLN 68 18.114 0.898 -15.437 512 1HG GLN 68 1HG GLN 68 19.669 1.259 -13.389 513 2HG GLN 68 2HG GLN 68 20.351 -0.296 -13.866 514 1HE2 GLN 68 2HE2 GLN 68 19.450 2.849 -15.231 515 2HE2 GLN 68 1HE2 GLN 68 20.782 2.950 -16.326 516 H ALA 69 H ALA 69 18.400 1.436 -11.842 517 HA ALA 69 HA ALA 69 16.606 3.694 -12.376 518 1HB ALA 69 1HB ALA 69 15.737 2.259 -10.484 519 2HB ALA 69 2HB ALA 69 17.159 2.762 -9.571 520 3HB ALA 69 3HB ALA 69 15.987 3.965 -10.112 521 H ASN 70 H ASN 70 17.779 5.454 -12.698 522 HA ASN 70 HA ASN 70 19.549 6.898 -12.793 523 1HB ASN 70 1HB ASN 70 19.426 6.257 -9.849 524 2HB ASN 70 2HB ASN 70 20.377 7.577 -10.520 525 1HD2 ASN 70 2HD2 ASN 70 19.334 9.325 -9.817 526 2HD2 ASN 70 1HD2 ASN 70 17.667 9.673 -10.110 527 H GLY 71 H GLY 71 20.326 4.070 -13.218 528 1HA GLY 71 1HA GLY 71 22.515 3.425 -13.929 529 2HA GLY 71 2HA GLY 71 23.191 4.423 -12.654 530 H TYR 72 H TYR 72 21.058 3.158 -10.795 531 HA TYR 72 HA TYR 72 22.751 0.924 -10.022 532 1HB TYR 72 1HB TYR 72 20.497 2.411 -8.697 533 2HB TYR 72 2HB TYR 72 21.058 0.870 -8.058 534 HD1 TYR 72 HD1 TYR 72 22.400 4.191 -9.124 535 HD2 TYR 72 HD2 TYR 72 22.740 0.884 -6.467 536 HE1 TYR 72 HE1 TYR 72 24.192 5.358 -7.909 537 HE2 TYR 72 HE2 TYR 72 24.531 2.042 -5.245 538 HH TYR 72 HH TYR 72 26.287 3.918 -5.890 539 H SER 73 H SER 73 22.300 -1.138 -10.448 540 HA SER 73 HA SER 73 19.995 -1.845 -11.973 541 1HB SER 73 1HB SER 73 22.278 -2.930 -12.151 542 2HB SER 73 2HB SER 73 21.921 -3.751 -10.631 543 HG SER 73 HG SER 73 20.633 -5.066 -11.654 544 H PHE 74 H PHE 74 18.186 -2.995 -11.375 545 HA PHE 74 HA PHE 74 17.759 -3.272 -8.470 546 1HB PHE 74 1HB PHE 74 15.993 -2.442 -10.725 547 2HB PHE 74 2HB PHE 74 15.256 -3.293 -9.374 548 HD1 PHE 74 HD1 PHE 74 18.007 -0.777 -9.427 549 HD2 PHE 74 HD2 PHE 74 14.040 -1.720 -8.204 550 HE1 PHE 74 HE1 PHE 74 17.900 1.328 -8.158 551 HE2 PHE 74 HE2 PHE 74 13.928 0.385 -6.935 552 HZ PHE 74 HZ PHE 74 15.860 1.911 -6.910 553 H ILE 75 H ILE 75 18.862 -5.308 -10.519 554 HA ILE 75 HA ILE 75 16.794 -7.375 -10.314 555 HB ILE 75 HB ILE 75 19.448 -7.621 -11.726 556 1HG1 ILE 75 1HG1 ILE 75 18.228 -5.735 -12.696 557 2HG1 ILE 75 2HG1 ILE 75 18.227 -7.099 -13.809 558 1HG2 ILE 75 1HG2 ILE 75 16.860 -9.150 -11.963 559 2HG2 ILE 75 2HG2 ILE 75 18.289 -9.402 -12.967 560 3HG2 ILE 75 3HG2 ILE 75 18.360 -9.728 -11.235 561 1HD1 ILE 75 1HD1 ILE 75 15.926 -7.572 -12.531 562 2HD1 ILE 75 2HD1 ILE 75 15.999 -5.817 -12.376 563 3HD1 ILE 75 3HD1 ILE 75 16.048 -6.564 -13.973 564 H ASN 76 H ASN 76 16.987 -9.186 -9.103 565 HA ASN 76 HA ASN 76 17.719 -10.656 -7.530 566 1HB ASN 76 1HB ASN 76 20.480 -9.676 -8.280 567 2HB ASN 76 2HB ASN 76 20.122 -11.125 -7.346 568 1HD2 ASN 76 2HD2 ASN 76 20.906 -10.032 -10.323 569 2HD2 ASN 76 1HD2 ASN 76 20.291 -11.329 -11.287 570 H ILE 77 H ILE 77 17.628 -7.488 -6.990 571 HA ILE 77 HA ILE 77 19.210 -7.413 -4.558 572 HB ILE 77 HB ILE 77 18.605 -5.047 -4.428 573 1HG1 ILE 77 1HG1 ILE 77 17.274 -5.202 -7.106 574 2HG1 ILE 77 2HG1 ILE 77 16.326 -5.548 -5.661 575 1HG2 ILE 77 1HG2 ILE 77 20.534 -5.812 -5.768 576 2HG2 ILE 77 2HG2 ILE 77 19.502 -5.817 -7.198 577 3HG2 ILE 77 3HG2 ILE 77 19.838 -4.303 -6.358 578 1HD1 ILE 77 1HD1 ILE 77 17.858 -3.009 -6.179 579 2HD1 ILE 77 2HD1 ILE 77 16.117 -3.220 -6.361 580 3HD1 ILE 77 3HD1 ILE 77 16.859 -3.356 -4.768 581 H GLU 78 H GLU 78 18.328 -6.474 -2.601 582 HA GLU 78 HA GLU 78 15.863 -7.802 -1.842 583 1HB GLU 78 1HB GLU 78 17.761 -6.104 -0.208 584 2HB GLU 78 2HB GLU 78 16.407 -7.022 0.439 585 1HG GLU 78 1HG GLU 78 17.470 -9.092 -0.415 586 2HG GLU 78 2HG GLU 78 18.863 -8.127 -0.902 587 H HIS 79 H HIS 79 13.965 -6.781 -1.155 588 HA HIS 79 HA HIS 79 13.133 -4.515 -2.491 589 1HB HIS 79 1HB HIS 79 11.708 -6.248 -1.295 590 2HB HIS 79 2HB HIS 79 11.995 -5.327 0.179 591 HD1 HIS 79 HD1 HIS 79 9.139 -5.526 -0.637 592 HD2 HIS 79 HD2 HIS 79 11.645 -2.551 -2.100 593 HE1 HIS 79 HE1 HIS 79 7.616 -3.669 -1.392 594 HE2 HIS 79 HE2 HIS 79 9.161 -1.849 -2.194 595 H GLY 80 H GLY 80 14.142 -4.666 0.940 596 1HA GLY 80 1HA GLY 80 13.776 -1.995 1.608 597 2HA GLY 80 2HA GLY 80 14.981 -3.042 2.339 598 H GLN 81 H GLN 81 16.333 -3.422 -0.282 599 HA GLN 81 HA GLN 81 18.096 -1.168 -0.108 600 1HB GLN 81 1HB GLN 81 18.590 -3.683 -0.727 601 2HB GLN 81 2HB GLN 81 18.216 -3.138 -2.357 602 1HG GLN 81 1HG GLN 81 20.549 -2.976 -2.136 603 2HG GLN 81 2HG GLN 81 19.934 -1.327 -2.019 604 1HE2 GLN 81 2HE2 GLN 81 21.257 -4.025 -0.235 605 2HE2 GLN 81 1HE2 GLN 81 21.752 -3.119 1.149 606 H ALA 82 H ALA 82 15.634 -2.314 -2.340 607 HA ALA 82 HA ALA 82 16.123 -0.429 -4.396 608 1HB ALA 82 1HB ALA 82 14.861 -2.551 -4.677 609 2HB ALA 82 2HB ALA 82 13.528 -1.828 -3.778 610 3HB ALA 82 3HB ALA 82 14.027 -1.138 -5.322 611 H VAL 83 H VAL 83 13.764 -0.493 -1.731 612 HA VAL 83 HA VAL 83 12.491 1.934 -2.353 613 HB VAL 83 HB VAL 83 12.823 0.799 0.428 614 1HG1 VAL 83 1HG1 VAL 83 11.845 3.123 0.072 615 2HG1 VAL 83 2HG1 VAL 83 10.477 2.309 -0.687 616 3HG1 VAL 83 3HG1 VAL 83 10.873 1.981 1.000 617 1HG2 VAL 83 1HG2 VAL 83 10.966 -0.005 -1.792 618 2HG2 VAL 83 2HG2 VAL 83 12.016 -1.026 -0.811 619 3HG2 VAL 83 3HG2 VAL 83 10.580 -0.296 -0.096 620 H SER 84 H SER 84 15.253 1.227 -0.241 621 HA SER 84 HA SER 84 15.581 3.797 0.826 622 1HB SER 84 1HB SER 84 16.700 1.786 1.721 623 2HB SER 84 2HB SER 84 17.717 1.722 0.282 624 HG SER 84 HG SER 84 17.785 3.484 2.443 625 H LEU 85 H LEU 85 16.799 2.359 -2.156 626 HA LEU 85 HA LEU 85 18.552 4.472 -2.842 627 1HB LEU 85 1HB LEU 85 17.251 2.254 -4.389 628 2HB LEU 85 2HB LEU 85 18.204 3.479 -5.209 629 HG LEU 85 HG LEU 85 19.217 1.663 -3.019 630 1HD1 LEU 85 1HD1 LEU 85 18.744 0.506 -5.150 631 2HD1 LEU 85 2HD1 LEU 85 19.818 1.638 -5.972 632 3HD1 LEU 85 3HD1 LEU 85 20.463 0.541 -4.752 633 1HD2 LEU 85 1HD2 LEU 85 20.534 3.807 -4.666 634 2HD2 LEU 85 2HD2 LEU 85 20.426 3.694 -2.910 635 3HD2 LEU 85 3HD2 LEU 85 21.438 2.562 -3.805 636 H LEU 86 H LEU 86 15.206 3.747 -3.777 637 HA LEU 86 HA LEU 86 14.897 5.890 -5.570 638 1HB LEU 86 1HB LEU 86 13.052 4.072 -4.098 639 2HB LEU 86 2HB LEU 86 12.373 5.501 -4.857 640 HG LEU 86 HG LEU 86 14.038 3.464 -6.333 641 1HD1 LEU 86 1HD1 LEU 86 11.042 3.711 -6.131 642 2HD1 LEU 86 2HD1 LEU 86 11.901 2.673 -7.268 643 3HD1 LEU 86 3HD1 LEU 86 12.031 2.380 -5.533 644 1HD2 LEU 86 1HD2 LEU 86 12.281 5.737 -7.244 645 2HD2 LEU 86 2HD2 LEU 86 14.037 5.636 -7.379 646 3HD2 LEU 86 3HD2 LEU 86 13.015 4.541 -8.311 647 H LYS 87 H LYS 87 14.396 5.689 -2.089 648 HA LYS 87 HA LYS 87 13.066 8.193 -1.863 649 1HB LYS 87 1HB LYS 87 14.366 6.329 0.095 650 2HB LYS 87 2HB LYS 87 13.776 7.904 0.610 651 1HG LYS 87 1HG LYS 87 11.553 7.362 0.109 652 2HG LYS 87 2HG LYS 87 12.024 5.967 -0.863 653 1HD LYS 87 1HD LYS 87 12.622 4.715 1.042 654 2HD LYS 87 2HD LYS 87 12.605 6.141 2.081 655 1HE LYS 87 1HE LYS 87 10.117 5.254 0.674 656 2HE LYS 87 2HE LYS 87 10.622 4.472 2.172 657 1HZ LYS 87 1HZ LYS 87 10.643 6.686 3.220 658 2HZ LYS 87 2HZ LYS 87 10.031 7.357 1.794 659 3HZ LYS 87 3HZ LYS 87 9.107 6.242 2.668 660 H THR 88 H THR 88 16.470 7.230 -1.556 661 HA THR 88 HA THR 88 17.350 9.714 -0.516 662 HB THR 88 HB THR 88 18.629 7.673 -0.195 663 HG1 THR 88 HG1 THR 88 20.477 8.699 -0.315 664 1HG2 THR 88 1HG2 THR 88 20.098 7.103 -2.330 665 2HG2 THR 88 2HG2 THR 88 18.577 6.284 -1.978 666 3HG2 THR 88 3HG2 THR 88 18.619 7.602 -3.150 667 H PHE 89 H PHE 89 16.798 8.617 -3.806 668 HA PHE 89 HA PHE 89 18.484 10.215 -5.270 669 1HB PHE 89 1HB PHE 89 15.652 9.374 -5.842 670 2HB PHE 89 2HB PHE 89 16.608 10.279 -7.008 671 HD1 PHE 89 HD1 PHE 89 19.291 8.962 -6.589 672 HD2 PHE 89 HD2 PHE 89 15.365 7.341 -6.899 673 HE1 PHE 89 HE1 PHE 89 20.231 6.847 -7.412 674 HE2 PHE 89 HE2 PHE 89 16.304 5.225 -7.724 675 HZ PHE 89 HZ PHE 89 18.738 4.974 -7.981 676 H GLN 90 H GLN 90 18.426 12.227 -6.228 677 HA GLN 90 HA GLN 90 17.476 14.332 -4.603 678 1HB GLN 90 1HB GLN 90 18.590 14.394 -7.417 679 2HB GLN 90 2HB GLN 90 18.426 15.788 -6.359 680 1HG GLN 90 1HG GLN 90 19.915 14.553 -4.730 681 2HG GLN 90 2HG GLN 90 20.242 13.422 -6.042 682 1HE2 GLN 90 2HE2 GLN 90 20.829 14.603 -8.160 683 2HE2 GLN 90 1HE2 GLN 90 22.006 15.857 -8.003 684 H ASN 91 H ASN 91 16.657 15.943 -7.286 685 HA ASN 91 HA ASN 91 13.854 15.594 -6.792 686 1HB ASN 91 1HB ASN 91 15.361 17.412 -8.677 687 2HB ASN 91 2HB ASN 91 13.615 17.449 -8.454 688 1HD2 ASN 91 2HD2 ASN 91 13.428 19.433 -7.570 689 2HD2 ASN 91 1HD2 ASN 91 14.107 19.885 -6.048 690 H THR 92 H THR 92 15.584 15.759 -9.923 691 HA THR 92 HA THR 92 13.498 14.313 -11.239 692 HB THR 92 HB THR 92 16.138 14.553 -12.572 693 HG1 THR 92 HG1 THR 92 16.347 16.543 -11.927 694 1HG2 THR 92 1HG2 THR 92 13.764 15.840 -13.704 695 2HG2 THR 92 2HG2 THR 92 14.941 14.759 -14.449 696 3HG2 THR 92 3HG2 THR 92 13.631 14.096 -13.471 697 H VAL 93 H VAL 93 13.227 12.198 -11.307 698 HA VAL 93 HA VAL 93 15.542 10.449 -10.772 699 HB VAL 93 HB VAL 93 12.633 9.722 -10.399 700 1HG1 VAL 93 1HG1 VAL 93 14.242 7.870 -10.730 701 2HG1 VAL 93 2HG1 VAL 93 15.132 8.432 -9.315 702 3HG1 VAL 93 3HG1 VAL 93 13.476 7.851 -9.142 703 1HG2 VAL 93 1HG2 VAL 93 13.297 11.590 -8.901 704 2HG2 VAL 93 2HG2 VAL 93 12.889 10.108 -8.038 705 3HG2 VAL 93 3HG2 VAL 93 14.579 10.565 -8.253 706 H GLU 94 H GLU 94 16.297 9.581 -12.598 707 HA GLU 94 HA GLU 94 14.477 9.054 -14.822 708 1HB GLU 94 1HB GLU 94 16.622 8.503 -16.048 709 2HB GLU 94 2HB GLU 94 16.464 10.169 -15.507 710 1HG GLU 94 1HG GLU 94 17.963 9.801 -13.692 711 2HG GLU 94 2HG GLU 94 17.982 8.063 -13.989 712 H LEU 95 H LEU 95 13.707 7.080 -15.237 713 HA LEU 95 HA LEU 95 15.098 4.749 -14.089 714 1HB LEU 95 1HB LEU 95 12.171 5.432 -14.009 715 2HB LEU 95 2HB LEU 95 12.746 3.789 -13.782 716 HG LEU 95 HG LEU 95 14.095 5.753 -12.060 717 1HD1 LEU 95 1HD1 LEU 95 11.154 5.228 -11.663 718 2HD1 LEU 95 2HD1 LEU 95 12.227 6.011 -10.503 719 3HD1 LEU 95 3HD1 LEU 95 11.892 6.781 -12.053 720 1HD2 LEU 95 1HD2 LEU 95 14.316 3.289 -11.883 721 2HD2 LEU 95 2HD2 LEU 95 13.780 4.057 -10.388 722 3HD2 LEU 95 3HD2 LEU 95 12.619 3.208 -11.408 723 H ILE 96 H ILE 96 14.580 2.703 -15.101 724 HA ILE 96 HA ILE 96 13.792 2.973 -17.932 725 HB ILE 96 HB ILE 96 15.760 0.961 -16.820 726 1HG1 ILE 96 1HG1 ILE 96 16.364 3.409 -18.486 727 2HG1 ILE 96 2HG1 ILE 96 16.585 3.331 -16.741 728 1HG2 ILE 96 1HG2 ILE 96 14.983 1.669 -19.648 729 2HG2 ILE 96 2HG2 ILE 96 16.295 0.577 -19.202 730 3HG2 ILE 96 3HG2 ILE 96 14.628 0.163 -18.801 731 1HD1 ILE 96 1HD1 ILE 96 18.006 1.191 -17.422 732 2HD1 ILE 96 2HD1 ILE 96 18.171 2.115 -18.914 733 3HD1 ILE 96 3HD1 ILE 96 18.688 2.816 -17.382 734 H ILE 97 H ILE 97 12.123 1.724 -18.572 735 HA ILE 97 HA ILE 97 11.333 -0.529 -16.832 736 HB ILE 97 HB ILE 97 8.964 -0.022 -17.425 737 1HG1 ILE 97 1HG1 ILE 97 10.093 2.621 -18.373 738 2HG1 ILE 97 2HG1 ILE 97 9.504 1.351 -19.444 739 1HG2 ILE 97 1HG2 ILE 97 10.133 0.687 -15.302 740 2HG2 ILE 97 2HG2 ILE 97 10.286 2.288 -16.024 741 3HG2 ILE 97 3HG2 ILE 97 8.688 1.603 -15.729 742 1HD1 ILE 97 1HD1 ILE 97 7.723 2.439 -17.315 743 2HD1 ILE 97 2HD1 ILE 97 7.962 3.334 -18.815 744 3HD1 ILE 97 3HD1 ILE 97 7.306 1.697 -18.860 745 H VAL 98 H VAL 98 9.870 -2.100 -17.913 746 HA VAL 98 HA VAL 98 10.216 -2.299 -20.809 747 HB VAL 98 HB VAL 98 11.026 -4.526 -18.927 748 1HG1 VAL 98 1HG1 VAL 98 10.599 -4.396 -21.843 749 2HG1 VAL 98 2HG1 VAL 98 12.075 -5.208 -21.320 750 3HG1 VAL 98 3HG1 VAL 98 10.507 -5.769 -20.740 751 1HG2 VAL 98 1HG2 VAL 98 12.725 -2.686 -20.605 752 2HG2 VAL 98 2HG2 VAL 98 12.647 -2.736 -18.844 753 3HG2 VAL 98 3HG2 VAL 98 13.316 -4.102 -19.736 754 H ARG 99 H ARG 99 8.736 -3.648 -21.840 755 HA ARG 99 HA ARG 99 6.458 -4.537 -20.195 756 1HB ARG 99 1HB ARG 99 6.594 -2.857 -22.553 757 2HB ARG 99 2HB ARG 99 5.602 -4.272 -22.877 758 1HG ARG 99 1HG ARG 99 3.964 -3.015 -22.012 759 2HG ARG 99 2HG ARG 99 4.633 -3.541 -20.468 760 1HD ARG 99 1HD ARG 99 4.955 -1.410 -19.938 761 2HD ARG 99 2HD ARG 99 6.140 -1.294 -21.233 762 HE ARG 99 HE ARG 99 3.391 -0.351 -21.266 763 1HH1 ARG 99 1HH1 ARG 99 6.271 -0.988 -23.187 764 2HH1 ARG 99 2HH1 ARG 99 5.771 0.056 -24.471 765 1HH2 ARG 99 1HH2 ARG 99 2.772 0.998 -22.971 766 2HH2 ARG 99 2HH2 ARG 99 3.801 1.173 -24.352 767 H GLU 100 H GLU 100 6.375 -6.705 -20.055 768 HA GLU 100 HA GLU 100 7.958 -8.433 -21.606 769 1HB GLU 100 1HB GLU 100 5.530 -9.033 -19.910 770 2HB GLU 100 2HB GLU 100 6.626 -10.249 -20.555 771 1HG GLU 100 1HG GLU 100 7.686 -8.022 -18.875 772 2HG GLU 100 2HG GLU 100 6.911 -9.413 -18.118 773 H VAL 101 H VAL 101 7.084 -10.317 -22.850 774 HA VAL 101 HA VAL 101 4.624 -9.824 -24.318 775 HB VAL 101 HB VAL 101 5.867 -10.202 -26.522 776 1HG1 VAL 101 1HG1 VAL 101 4.900 -8.012 -25.514 777 2HG1 VAL 101 2HG1 VAL 101 6.595 -7.562 -25.327 778 3HG1 VAL 101 3HG1 VAL 101 5.952 -7.932 -26.927 779 1HG2 VAL 101 1HG2 VAL 101 8.044 -10.647 -25.031 780 2HG2 VAL 101 2HG2 VAL 101 8.123 -10.034 -26.684 781 3HG2 VAL 101 3HG2 VAL 101 8.250 -8.920 -25.323 782 H SER 102 H SER 102 3.648 -11.726 -24.016 783 HA SER 102 HA SER 102 4.955 -14.136 -24.987 784 1HB SER 102 1HB SER 102 5.532 -14.051 -22.576 785 2HB SER 102 2HB SER 102 3.813 -13.995 -22.186 786 HG SER 102 HG SER 102 5.379 -16.119 -23.002 787 H SER 103 H SER 103 3.531 -14.798 -26.457 788 HA SER 103 HA SER 103 0.666 -14.516 -25.922 789 1HB SER 103 1HB SER 103 1.717 -13.714 -28.098 790 2HB SER 103 2HB SER 103 1.942 -15.414 -28.508 791 HG SER 103 HG SER 103 -0.401 -13.913 -28.332 792 1H THR 301 1H THR 301 -2.527 -6.844 4.725 793 2H THR 301 2H THR 301 -1.970 -7.294 6.286 794 3H THR 301 3H THR 301 -2.997 -8.348 5.401 795 HA THR 301 HA THR 301 -0.747 -9.101 5.362 796 HB THR 301 HB THR 301 -1.442 -8.006 2.643 797 HG1 THR 301 HG1 THR 301 -3.397 -8.681 3.365 798 1HG2 THR 301 1HG2 THR 301 -0.820 -10.213 1.866 799 2HG2 THR 301 2HG2 THR 301 0.501 -9.479 2.775 800 3HG2 THR 301 3HG2 THR 301 -0.498 -10.724 3.522 801 H GLY 302 H GLY 302 -0.951 -6.176 3.321 802 1HA GLY 302 1HA GLY 302 0.483 -4.364 3.187 803 2HA GLY 302 2HA GLY 302 1.381 -5.019 4.547 804 H TRP 303 H TRP 303 1.886 -4.027 1.592 805 HA TRP 303 HA TRP 303 4.271 -5.512 1.238 806 1HB TRP 303 1HB TRP 303 3.580 -6.413 -1.084 807 2HB TRP 303 2HB TRP 303 3.078 -7.313 0.341 808 HD1 TRP 303 HD1 TRP 303 0.457 -7.252 0.969 809 HE1 TRP 303 HE1 TRP 303 -1.622 -6.762 -0.467 810 HE3 TRP 303 HE3 TRP 303 2.734 -5.002 -3.019 811 HZ2 TRP 303 HZ2 TRP 303 -2.217 -5.579 -2.959 812 HZ3 TRP 303 HZ3 TRP 303 1.337 -4.220 -4.888 813 HH2 TRP 303 HH2 TRP 303 -1.088 -4.505 -4.857 814 H GLU 304 H GLU 304 1.805 -3.516 -0.349 815 HA GLU 304 HA GLU 304 3.623 -2.351 -2.214 816 1HB GLU 304 1HB GLU 304 1.784 -0.670 -2.546 817 2HB GLU 304 2HB GLU 304 1.304 -2.346 -2.786 818 1HG GLU 304 1HG GLU 304 0.932 -1.328 -0.060 819 2HG GLU 304 2HG GLU 304 -0.061 -0.552 -1.293 820 H THR 305 H THR 305 4.944 -0.656 -2.002 821 HA THR 305 HA THR 305 4.734 0.988 0.439 822 HB THR 305 HB THR 305 7.322 0.328 -0.966 823 HG1 THR 305 HG1 THR 305 6.777 -1.609 -0.197 824 1HG2 THR 305 1HG2 THR 305 6.880 1.181 1.878 825 2HG2 THR 305 2HG2 THR 305 8.406 1.053 1.003 826 3HG2 THR 305 3HG2 THR 305 7.242 2.306 0.568 827 H TRP 306 H TRP 306 4.307 3.044 0.009 828 HA TRP 306 HA TRP 306 4.625 4.069 -2.680 829 1HB TRP 306 1HB TRP 306 3.457 5.277 -0.167 830 2HB TRP 306 2HB TRP 306 3.516 6.111 -1.718 831 HD1 TRP 306 HD1 TRP 306 1.679 3.321 0.116 832 HE1 TRP 306 HE1 TRP 306 -0.381 2.631 -1.266 833 HE3 TRP 306 HE3 TRP 306 2.621 5.996 -4.138 834 HZ2 TRP 306 HZ2 TRP 306 -1.460 3.152 -3.823 835 HZ3 TRP 306 HZ3 TRP 306 1.026 5.846 -6.005 836 HH2 TRP 306 HH2 TRP 306 -0.973 4.451 -5.849 837 H VAL 307 H VAL 307 6.488 4.893 -3.322 838 HA VAL 307 HA VAL 307 8.378 5.958 -1.385 839 HB VAL 307 HB VAL 307 9.923 6.112 -3.328 840 1HG1 VAL 307 1HG1 VAL 307 9.802 4.102 -1.901 841 2HG1 VAL 307 2HG1 VAL 307 8.636 3.405 -3.024 842 3HG1 VAL 307 3HG1 VAL 307 10.283 3.737 -3.559 843 1HG2 VAL 307 1HG2 VAL 307 8.060 6.416 -5.005 844 2HG2 VAL 307 2HG2 VAL 307 9.340 5.296 -5.472 845 3HG2 VAL 307 3HG2 VAL 307 7.794 4.676 -4.894 Start of MODEL 2 1 1H GLY 1 1H GLY 1 14.897 -21.334 -39.708 2 2H GLY 1 2H GLY 1 15.381 -22.908 -40.096 3 3H GLY 1 3H GLY 1 15.774 -21.626 -41.126 4 1HA GLY 1 1HA GLY 1 16.781 -21.986 -38.357 5 2HA GLY 1 2HA GLY 1 17.692 -22.328 -39.819 6 H SER 2 H SER 2 16.452 -19.857 -37.717 7 HA SER 2 HA SER 2 18.441 -18.003 -38.623 8 1HB SER 2 1HB SER 2 16.622 -17.713 -40.326 9 2HB SER 2 2HB SER 2 15.548 -17.213 -39.021 10 HG SER 2 HG SER 2 17.893 -15.929 -39.948 11 H HIS 3 H HIS 3 15.381 -18.334 -36.846 12 HA HIS 3 HA HIS 3 15.983 -16.283 -34.967 13 1HB HIS 3 1HB HIS 3 13.908 -18.431 -35.175 14 2HB HIS 3 2HB HIS 3 14.110 -17.577 -33.648 15 HD1 HIS 3 HD1 HIS 3 13.801 -16.510 -37.299 16 HD2 HIS 3 HD2 HIS 3 12.405 -15.498 -33.518 17 HE1 HIS 3 HE1 HIS 3 12.246 -14.565 -37.654 18 HE2 HIS 3 HE2 HIS 3 11.424 -13.959 -35.350 19 H MET 4 H MET 4 17.656 -16.435 -33.623 20 HA MET 4 HA MET 4 18.290 -19.037 -32.416 21 1HB MET 4 1HB MET 4 19.919 -16.522 -32.768 22 2HB MET 4 2HB MET 4 20.446 -17.865 -31.763 23 1HG MET 4 1HG MET 4 19.648 -18.453 -34.556 24 2HG MET 4 2HG MET 4 21.179 -17.622 -34.288 25 1HE MET 4 1HE MET 4 23.087 -18.507 -34.078 26 2HE MET 4 2HE MET 4 23.268 -19.152 -32.446 27 3HE MET 4 3HE MET 4 23.547 -20.193 -33.842 28 H GLY 5 H GLY 5 17.889 -15.603 -31.598 29 1HA GLY 5 1HA GLY 5 16.462 -16.113 -29.223 30 2HA GLY 5 2HA GLY 5 18.150 -15.840 -28.819 31 H HIS 6 H HIS 6 18.724 -13.921 -30.823 32 HA HIS 6 HA HIS 6 17.589 -11.593 -29.553 33 1HB HIS 6 1HB HIS 6 20.025 -12.148 -30.707 34 2HB HIS 6 2HB HIS 6 19.257 -11.147 -31.935 35 HD1 HIS 6 HD1 HIS 6 17.779 -9.152 -30.110 36 HD2 HIS 6 HD2 HIS 6 21.716 -10.359 -29.552 37 HE1 HIS 6 HE1 HIS 6 18.862 -7.318 -28.772 38 HE2 HIS 6 HE2 HIS 6 21.224 -8.105 -28.384 39 H GLU 7 H GLU 7 15.487 -11.284 -30.123 40 HA GLU 7 HA GLU 7 14.985 -10.612 -32.926 41 1HB GLU 7 1HB GLU 7 12.812 -11.842 -32.846 42 2HB GLU 7 2HB GLU 7 14.226 -12.888 -32.805 43 1HG GLU 7 1HG GLU 7 13.946 -13.357 -30.522 44 2HG GLU 7 2HG GLU 7 12.807 -12.029 -30.307 45 H LEU 8 H LEU 8 12.900 -9.450 -33.205 46 HA LEU 8 HA LEU 8 12.620 -7.479 -31.120 47 1HB LEU 8 1HB LEU 8 12.094 -7.656 -33.950 48 2HB LEU 8 2HB LEU 8 10.671 -7.039 -33.129 49 HG LEU 8 HG LEU 8 12.116 -5.223 -33.893 50 1HD1 LEU 8 1HD1 LEU 8 10.772 -4.928 -31.862 51 2HD1 LEU 8 2HD1 LEU 8 12.128 -5.503 -30.891 52 3HD1 LEU 8 3HD1 LEU 8 12.270 -4.000 -31.802 53 1HD2 LEU 8 1HD2 LEU 8 14.251 -6.410 -33.805 54 2HD2 LEU 8 2HD2 LEU 8 14.325 -4.890 -32.913 55 3HD2 LEU 8 3HD2 LEU 8 14.178 -6.417 -32.043 56 H ALA 9 H ALA 9 11.709 -8.669 -29.410 57 HA ALA 9 HA ALA 9 8.823 -9.026 -29.650 58 1HB ALA 9 1HB ALA 9 10.729 -11.186 -28.782 59 2HB ALA 9 2HB ALA 9 9.013 -11.209 -28.382 60 3HB ALA 9 3HB ALA 9 9.526 -11.246 -30.069 61 H LYS 10 H LYS 10 10.117 -6.932 -28.443 62 HA LYS 10 HA LYS 10 8.993 -6.924 -25.862 63 1HB LYS 10 1HB LYS 10 11.343 -8.280 -25.806 64 2HB LYS 10 2HB LYS 10 11.921 -6.645 -25.512 65 1HG LYS 10 1HG LYS 10 10.947 -6.518 -23.470 66 2HG LYS 10 2HG LYS 10 9.592 -7.552 -23.928 67 1HD LYS 10 1HD LYS 10 10.805 -9.508 -23.570 68 2HD LYS 10 2HD LYS 10 12.358 -8.678 -23.673 69 1HE LYS 10 1HE LYS 10 12.186 -7.816 -21.527 70 2HE LYS 10 2HE LYS 10 10.433 -8.002 -21.486 71 1HZ LYS 10 1HZ LYS 10 12.328 -10.284 -21.508 72 2HZ LYS 10 2HZ LYS 10 11.673 -9.621 -20.095 73 3HZ LYS 10 3HZ LYS 10 10.659 -10.343 -21.241 74 H GLN 11 H GLN 11 10.078 -4.909 -24.569 75 HA GLN 11 HA GLN 11 10.911 -2.817 -26.411 76 1HB GLN 11 1HB GLN 11 9.091 -1.289 -25.570 77 2HB GLN 11 2HB GLN 11 8.556 -2.577 -26.642 78 1HG GLN 11 1HG GLN 11 8.105 -3.864 -24.430 79 2HG GLN 11 2HG GLN 11 8.132 -2.255 -23.709 80 1HE2 GLN 11 2HE2 GLN 11 6.520 -4.339 -26.006 81 2HE2 GLN 11 1HE2 GLN 11 5.048 -3.438 -26.086 82 H GLU 12 H GLU 12 12.134 -1.260 -25.462 83 HA GLU 12 HA GLU 12 12.313 -1.261 -22.521 84 1HB GLU 12 1HB GLU 12 14.232 -2.400 -23.901 85 2HB GLU 12 2HB GLU 12 14.737 -0.743 -24.205 86 1HG GLU 12 1HG GLU 12 14.164 -1.347 -21.396 87 2HG GLU 12 2HG GLU 12 15.513 -2.248 -22.084 88 H ILE 13 H ILE 13 11.540 0.628 -21.865 89 HA ILE 13 HA ILE 13 12.443 3.069 -23.258 90 HB ILE 13 HB ILE 13 10.287 4.160 -22.594 91 1HG1 ILE 13 1HG1 ILE 13 9.657 2.368 -20.922 92 2HG1 ILE 13 2HG1 ILE 13 8.372 2.864 -22.013 93 1HG2 ILE 13 1HG2 ILE 13 10.227 1.908 -24.589 94 2HG2 ILE 13 2HG2 ILE 13 9.035 3.204 -24.506 95 3HG2 ILE 13 3HG2 ILE 13 10.718 3.576 -24.874 96 1HD1 ILE 13 1HD1 ILE 13 9.685 0.663 -23.206 97 2HD1 ILE 13 2HD1 ILE 13 9.390 0.260 -21.514 98 3HD1 ILE 13 3HD1 ILE 13 8.050 0.747 -22.552 99 H ARG 14 H ARG 14 12.563 4.991 -22.017 100 HA ARG 14 HA ARG 14 13.064 4.508 -19.151 101 1HB ARG 14 1HB ARG 14 15.050 4.969 -20.648 102 2HB ARG 14 2HB ARG 14 14.388 6.574 -20.914 103 1HG ARG 14 1HG ARG 14 14.420 6.661 -18.286 104 2HG ARG 14 2HG ARG 14 15.658 5.419 -18.490 105 1HD ARG 14 1HD ARG 14 15.723 8.038 -19.967 106 2HD ARG 14 2HD ARG 14 16.464 7.828 -18.383 107 HE ARG 14 HE ARG 14 17.408 6.786 -20.913 108 1HH1 ARG 14 1HH1 ARG 14 17.647 6.546 -17.418 109 2HH1 ARG 14 2HH1 ARG 14 19.219 5.821 -17.463 110 1HH2 ARG 14 1HH2 ARG 14 19.464 5.829 -20.944 111 2HH2 ARG 14 2HH2 ARG 14 20.244 5.414 -19.455 112 H VAL 15 H VAL 15 12.567 6.224 -17.670 113 HA VAL 15 HA VAL 15 10.987 8.465 -18.687 114 HB VAL 15 HB VAL 15 9.208 8.045 -16.983 115 1HG1 VAL 15 1HG1 VAL 15 8.883 7.497 -19.351 116 2HG1 VAL 15 2HG1 VAL 15 9.532 5.882 -19.061 117 3HG1 VAL 15 3HG1 VAL 15 8.021 6.376 -18.298 118 1HG2 VAL 15 1HG2 VAL 15 10.524 6.538 -15.545 119 2HG2 VAL 15 2HG2 VAL 15 8.976 5.835 -16.016 120 3HG2 VAL 15 3HG2 VAL 15 10.462 5.308 -16.807 121 H ARG 16 H ARG 16 10.907 10.263 -17.294 122 HA ARG 16 HA ARG 16 12.708 10.093 -14.965 123 1HB ARG 16 1HB ARG 16 13.156 12.494 -15.283 124 2HB ARG 16 2HB ARG 16 13.604 11.547 -16.694 125 1HG ARG 16 1HG ARG 16 11.699 12.288 -17.894 126 2HG ARG 16 2HG ARG 16 10.999 13.027 -16.457 127 1HD ARG 16 1HD ARG 16 11.903 14.813 -17.684 128 2HD ARG 16 2HD ARG 16 13.074 14.500 -16.404 129 HE ARG 16 HE ARG 16 13.645 13.106 -18.851 130 1HH1 ARG 16 1HH1 ARG 16 14.086 16.136 -17.132 131 2HH1 ARG 16 2HH1 ARG 16 15.508 16.565 -18.024 132 1HH2 ARG 16 1HH2 ARG 16 15.508 13.690 -20.005 133 2HH2 ARG 16 2HH2 ARG 16 16.311 15.182 -19.647 134 H VAL 17 H VAL 17 11.961 10.589 -12.997 135 HA VAL 17 HA VAL 17 9.274 11.799 -12.797 136 HB VAL 17 HB VAL 17 10.544 9.972 -10.753 137 1HG1 VAL 17 1HG1 VAL 17 8.818 11.497 -9.911 138 2HG1 VAL 17 2HG1 VAL 17 7.690 10.879 -11.117 139 3HG1 VAL 17 3HG1 VAL 17 8.293 9.815 -9.847 140 1HG2 VAL 17 1HG2 VAL 17 10.164 8.803 -12.914 141 2HG2 VAL 17 2HG2 VAL 17 9.185 8.173 -11.589 142 3HG2 VAL 17 3HG2 VAL 17 8.456 9.228 -12.800 143 H GLU 18 H GLU 18 9.253 13.778 -11.936 144 HA GLU 18 HA GLU 18 11.581 14.719 -10.445 145 1HB GLU 18 1HB GLU 18 9.194 16.353 -11.294 146 2HB GLU 18 2HB GLU 18 10.794 16.932 -10.850 147 1HG GLU 18 1HG GLU 18 11.014 17.083 -13.086 148 2HG GLU 18 2HG GLU 18 11.473 15.389 -12.912 149 H LYS 19 H LYS 19 11.606 14.712 -8.305 150 HA LYS 19 HA LYS 19 9.357 14.085 -6.714 151 1HB LYS 19 1HB LYS 19 12.154 14.292 -6.363 152 2HB LYS 19 2HB LYS 19 11.447 15.393 -5.188 153 1HG LYS 19 1HG LYS 19 11.732 13.258 -4.162 154 2HG LYS 19 2HG LYS 19 10.005 13.536 -4.398 155 1HD LYS 19 1HD LYS 19 10.181 11.381 -5.157 156 2HD LYS 19 2HD LYS 19 10.447 12.267 -6.659 157 1HE LYS 19 1HE LYS 19 12.104 10.551 -6.507 158 2HE LYS 19 2HE LYS 19 12.897 12.103 -6.242 159 1HZ LYS 19 1HZ LYS 19 11.970 10.428 -3.988 160 2HZ LYS 19 2HZ LYS 19 13.495 10.209 -4.688 161 3HZ LYS 19 3HZ LYS 19 13.099 11.687 -3.968 162 H ASP 20 H ASP 20 7.677 15.397 -6.362 163 HA ASP 20 HA ASP 20 7.931 17.907 -5.123 164 1HB ASP 20 1HB ASP 20 8.549 18.294 -7.670 165 2HB ASP 20 2HB ASP 20 6.797 18.305 -7.861 166 HA PRO 21 HA PRO 21 7.267 17.433 -3.277 167 1HB PRO 21 1HB PRO 21 5.612 15.921 -1.476 168 2HB PRO 21 2HB PRO 21 5.895 17.662 -1.492 169 1HG PRO 21 1HG PRO 21 3.479 16.465 -2.066 170 2HG PRO 21 2HG PRO 21 3.954 18.087 -2.600 171 1HD PRO 21 1HD PRO 21 4.015 15.499 -4.109 172 2HD PRO 21 2HD PRO 21 3.534 17.117 -4.664 173 H GLU 22 H GLU 22 5.723 14.475 -4.369 174 HA GLU 22 HA GLU 22 8.185 13.015 -3.719 175 1HB GLU 22 1HB GLU 22 5.387 12.304 -2.922 176 2HB GLU 22 2HB GLU 22 6.562 11.028 -3.217 177 1HG GLU 22 1HG GLU 22 7.954 11.765 -1.468 178 2HG GLU 22 2HG GLU 22 7.093 13.298 -1.327 179 H LEU 23 H LEU 23 7.834 10.625 -4.717 180 HA LEU 23 HA LEU 23 7.931 10.956 -7.500 181 1HB LEU 23 1HB LEU 23 7.616 8.489 -5.795 182 2HB LEU 23 2HB LEU 23 7.805 8.428 -7.539 183 HG LEU 23 HG LEU 23 9.937 9.998 -6.802 184 1HD1 LEU 23 1HD1 LEU 23 9.608 7.876 -4.687 185 2HD1 LEU 23 2HD1 LEU 23 11.050 8.857 -4.949 186 3HD1 LEU 23 3HD1 LEU 23 9.546 9.620 -4.431 187 1HD2 LEU 23 1HD2 LEU 23 9.837 7.003 -7.132 188 2HD2 LEU 23 2HD2 LEU 23 10.074 8.202 -8.402 189 3HD2 LEU 23 3HD2 LEU 23 11.310 7.971 -7.166 190 H GLY 24 H GLY 24 5.461 9.202 -5.594 191 1HA GLY 24 1HA GLY 24 3.111 9.586 -5.929 192 2HA GLY 24 2HA GLY 24 3.462 10.056 -7.584 193 H PHE 25 H PHE 25 4.940 7.186 -6.231 194 HA PHE 25 HA PHE 25 2.886 5.432 -7.245 195 1HB PHE 25 1HB PHE 25 4.232 4.315 -8.920 196 2HB PHE 25 2HB PHE 25 4.147 6.030 -9.300 197 HD1 PHE 25 HD1 PHE 25 6.311 3.360 -7.972 198 HD2 PHE 25 HD2 PHE 25 6.105 7.365 -9.395 199 HE1 PHE 25 HE1 PHE 25 8.765 3.436 -8.098 200 HE2 PHE 25 HE2 PHE 25 8.560 7.447 -9.527 201 HZ PHE 25 HZ PHE 25 9.894 5.481 -8.878 202 H SER 26 H SER 26 3.026 3.345 -6.460 203 HA SER 26 HA SER 26 4.974 2.992 -4.303 204 1HB SER 26 1HB SER 26 3.375 1.045 -3.713 205 2HB SER 26 2HB SER 26 2.799 2.693 -3.467 206 HG SER 26 HG SER 26 1.373 1.131 -4.620 207 H ILE 27 H ILE 27 6.103 1.022 -4.014 208 HA ILE 27 HA ILE 27 6.374 -0.614 -6.455 209 HB ILE 27 HB ILE 27 8.756 -0.953 -5.844 210 1HG1 ILE 27 1HG1 ILE 27 8.449 1.382 -3.964 211 2HG1 ILE 27 2HG1 ILE 27 8.324 -0.281 -3.398 212 1HG2 ILE 27 1HG2 ILE 27 8.049 0.735 -7.507 213 2HG2 ILE 27 2HG2 ILE 27 8.035 1.948 -6.227 214 3HG2 ILE 27 3HG2 ILE 27 9.548 1.164 -6.682 215 1HD1 ILE 27 1HD1 ILE 27 10.695 0.257 -5.021 216 2HD1 ILE 27 2HD1 ILE 27 10.618 1.165 -3.511 217 3HD1 ILE 27 3HD1 ILE 27 10.533 -0.597 -3.486 218 H SER 28 H SER 28 6.942 -2.836 -6.136 219 HA SER 28 HA SER 28 6.808 -3.893 -3.427 220 1HB SER 28 1HB SER 28 4.875 -4.818 -5.565 221 2HB SER 28 2HB SER 28 4.990 -5.434 -3.917 222 HG SER 28 HG SER 28 3.928 -3.030 -4.857 223 H GLY 29 H GLY 29 7.294 -6.237 -3.361 224 1HA GLY 29 1HA GLY 29 8.097 -8.212 -4.484 225 2HA GLY 29 2HA GLY 29 8.750 -7.179 -5.744 226 H GLY 30 H GLY 30 10.799 -8.083 -5.599 227 1HA GLY 30 1HA GLY 30 13.002 -7.473 -4.859 228 2HA GLY 30 2HA GLY 30 12.339 -7.181 -3.258 229 H VAL 31 H VAL 31 14.628 -8.827 -3.917 230 HA VAL 31 HA VAL 31 13.797 -11.573 -3.753 231 HB VAL 31 HB VAL 31 16.566 -10.486 -3.218 232 1HG1 VAL 31 1HG1 VAL 31 16.129 -12.827 -2.561 233 2HG1 VAL 31 2HG1 VAL 31 15.669 -13.182 -4.226 234 3HG1 VAL 31 3HG1 VAL 31 17.321 -12.690 -3.853 235 1HG2 VAL 31 1HG2 VAL 31 15.328 -11.270 -5.857 236 2HG2 VAL 31 2HG2 VAL 31 15.840 -9.651 -5.377 237 3HG2 VAL 31 3HG2 VAL 31 17.038 -10.926 -5.599 238 H GLY 32 H GLY 32 12.926 -12.344 -1.953 239 1HA GLY 32 1HA GLY 32 13.031 -13.137 0.245 240 2HA GLY 32 2HA GLY 32 14.348 -12.024 0.564 241 H GLY 33 H GLY 33 11.881 -10.267 -0.919 242 1HA GLY 33 1HA GLY 33 11.204 -9.021 1.598 243 2HA GLY 33 2HA GLY 33 10.700 -8.495 0.000 244 H ARG 34 H ARG 34 8.557 -8.194 0.538 245 HA ARG 34 HA ARG 34 7.037 -10.292 1.791 246 1HB ARG 34 1HB ARG 34 6.385 -7.566 0.727 247 2HB ARG 34 2HB ARG 34 5.105 -8.677 1.198 248 1HG ARG 34 1HG ARG 34 6.288 -8.868 3.431 249 2HG ARG 34 2HG ARG 34 7.256 -7.486 2.919 250 1HD ARG 34 1HD ARG 34 5.429 -6.050 2.914 251 2HD ARG 34 2HD ARG 34 4.266 -7.372 2.814 252 HE ARG 34 HE ARG 34 5.489 -6.298 5.199 253 1HH1 ARG 34 1HH1 ARG 34 3.791 -9.043 3.815 254 2HH1 ARG 34 2HH1 ARG 34 3.235 -9.618 5.352 255 1HH2 ARG 34 1HH2 ARG 34 4.750 -7.073 7.201 256 2HH2 ARG 34 2HH2 ARG 34 3.777 -8.505 7.264 257 H GLY 35 H GLY 35 8.072 -9.931 -1.398 258 1HA GLY 35 1HA GLY 35 7.534 -11.368 -3.156 259 2HA GLY 35 2HA GLY 35 6.092 -11.859 -2.284 260 H ASN 36 H ASN 36 6.086 -11.345 -5.019 261 HA ASN 36 HA ASN 36 4.743 -8.741 -5.261 262 1HB ASN 36 1HB ASN 36 5.975 -10.585 -7.314 263 2HB ASN 36 2HB ASN 36 4.972 -9.207 -7.754 264 1HD2 ASN 36 2HD2 ASN 36 8.061 -10.238 -7.267 265 2HD2 ASN 36 1HD2 ASN 36 8.838 -8.712 -7.039 266 HA PRO 37 HA PRO 37 1.005 -11.161 -5.825 267 1HB PRO 37 1HB PRO 37 -0.774 -9.164 -5.786 268 2HB PRO 37 2HB PRO 37 0.121 -9.633 -4.338 269 1HG PRO 37 1HG PRO 37 0.432 -7.248 -6.052 270 2HG PRO 37 2HG PRO 37 0.840 -7.468 -4.344 271 1HD PRO 37 1HD PRO 37 2.596 -7.603 -6.612 272 2HD PRO 37 2HD PRO 37 3.000 -7.845 -4.902 273 H PHE 38 H PHE 38 2.595 -10.153 -8.234 274 HA PHE 38 HA PHE 38 0.346 -10.114 -10.142 275 1HB PHE 38 1HB PHE 38 2.942 -8.575 -10.249 276 2HB PHE 38 2HB PHE 38 1.911 -8.804 -11.656 277 HD1 PHE 38 HD1 PHE 38 -0.340 -7.797 -11.717 278 HD2 PHE 38 HD2 PHE 38 2.389 -7.016 -8.546 279 HE1 PHE 38 HE1 PHE 38 -1.666 -5.829 -11.065 280 HE2 PHE 38 HE2 PHE 38 1.067 -5.049 -7.888 281 HZ PHE 38 HZ PHE 38 -0.963 -4.453 -9.148 282 H ARG 39 H ARG 39 3.775 -10.923 -9.681 283 HA ARG 39 HA ARG 39 3.472 -13.059 -11.695 284 1HB ARG 39 1HB ARG 39 5.898 -11.429 -10.936 285 2HB ARG 39 2HB ARG 39 5.979 -12.877 -11.933 286 1HG ARG 39 1HG ARG 39 4.219 -11.662 -13.398 287 2HG ARG 39 2HG ARG 39 4.785 -10.213 -12.563 288 1HD ARG 39 1HD ARG 39 7.023 -10.572 -13.332 289 2HD ARG 39 2HD ARG 39 6.595 -12.146 -14.001 290 HE ARG 39 HE ARG 39 6.192 -9.581 -15.218 291 1HH1 ARG 39 1HH1 ARG 39 4.992 -12.878 -15.109 292 2HH1 ARG 39 2HH1 ARG 39 4.296 -12.798 -16.693 293 1HH2 ARG 39 1HH2 ARG 39 5.273 -9.501 -17.293 294 2HH2 ARG 39 2HH2 ARG 39 4.456 -10.890 -17.927 295 HA PRO 40 HA PRO 40 4.539 -15.755 -8.330 296 1HB PRO 40 1HB PRO 40 4.822 -18.078 -9.673 297 2HB PRO 40 2HB PRO 40 3.264 -17.281 -9.451 298 1HG PRO 40 1HG PRO 40 4.886 -17.562 -11.879 299 2HG PRO 40 2HG PRO 40 3.164 -17.188 -11.716 300 1HD PRO 40 1HD PRO 40 5.366 -15.377 -12.188 301 2HD PRO 40 2HD PRO 40 3.632 -15.013 -12.128 302 H ASP 41 H ASP 41 6.636 -16.634 -11.109 303 HA ASP 41 HA ASP 41 8.760 -17.379 -9.303 304 1HB ASP 41 1HB ASP 41 8.503 -17.417 -12.305 305 2HB ASP 41 2HB ASP 41 9.974 -17.901 -11.465 306 H ASP 42 H ASP 42 7.887 -14.396 -10.665 307 HA ASP 42 HA ASP 42 10.674 -13.490 -10.805 308 1HB ASP 42 1HB ASP 42 8.945 -13.007 -12.661 309 2HB ASP 42 2HB ASP 42 8.269 -11.830 -11.538 310 H ASP 43 H ASP 43 11.522 -12.607 -9.048 311 HA ASP 43 HA ASP 43 9.727 -11.341 -7.084 312 1HB ASP 43 1HB ASP 43 11.618 -11.677 -5.486 313 2HB ASP 43 2HB ASP 43 10.986 -13.179 -6.154 314 H GLY 44 H GLY 44 10.600 -9.952 -9.466 315 1HA GLY 44 1HA GLY 44 12.712 -8.135 -8.689 316 2HA GLY 44 2HA GLY 44 11.740 -8.044 -10.150 317 H ILE 45 H ILE 45 11.704 -5.714 -9.687 318 HA ILE 45 HA ILE 45 9.814 -4.993 -7.541 319 HB ILE 45 HB ILE 45 11.531 -3.040 -9.069 320 1HG1 ILE 45 1HG1 ILE 45 13.031 -4.654 -7.984 321 2HG1 ILE 45 2HG1 ILE 45 13.113 -3.086 -7.186 322 1HG2 ILE 45 1HG2 ILE 45 9.579 -2.167 -7.856 323 2HG2 ILE 45 2HG2 ILE 45 10.215 -2.860 -6.364 324 3HG2 ILE 45 3HG2 ILE 45 11.101 -1.578 -7.190 325 1HD1 ILE 45 1HD1 ILE 45 11.468 -4.007 -5.505 326 2HD1 ILE 45 2HD1 ILE 45 11.772 -5.588 -6.223 327 3HD1 ILE 45 3HD1 ILE 45 13.093 -4.691 -5.475 328 H PHE 46 H PHE 46 7.840 -4.204 -8.063 329 HA PHE 46 HA PHE 46 7.369 -3.370 -10.851 330 1HB PHE 46 1HB PHE 46 5.475 -5.055 -9.201 331 2HB PHE 46 2HB PHE 46 5.251 -4.554 -10.875 332 HD1 PHE 46 HD1 PHE 46 7.671 -6.425 -8.737 333 HD2 PHE 46 HD2 PHE 46 5.829 -6.024 -12.555 334 HE1 PHE 46 HE1 PHE 46 8.808 -8.470 -9.497 335 HE2 PHE 46 HE2 PHE 46 6.968 -8.066 -13.321 336 HZ PHE 46 HZ PHE 46 8.458 -9.293 -11.791 337 H VAL 47 H VAL 47 5.780 -1.793 -11.181 338 HA VAL 47 HA VAL 47 5.248 -0.131 -8.843 339 HB VAL 47 HB VAL 47 4.669 0.501 -11.742 340 1HG1 VAL 47 1HG1 VAL 47 4.924 2.268 -9.311 341 2HG1 VAL 47 2HG1 VAL 47 4.692 2.832 -10.966 342 3HG1 VAL 47 3HG1 VAL 47 3.435 1.882 -10.174 343 1HG2 VAL 47 1HG2 VAL 47 7.103 -0.009 -11.178 344 2HG2 VAL 47 2HG2 VAL 47 6.765 1.548 -11.932 345 3HG2 VAL 47 3HG2 VAL 47 7.064 1.456 -10.196 346 H THR 48 H THR 48 3.690 -1.701 -8.018 347 HA THR 48 HA THR 48 1.455 -2.768 -8.959 348 HB THR 48 HB THR 48 2.053 -2.940 -6.638 349 HG1 THR 48 HG1 THR 48 0.028 -3.026 -5.865 350 1HG2 THR 48 1HG2 THR 48 0.800 -0.380 -5.873 351 2HG2 THR 48 2HG2 THR 48 2.098 -1.290 -5.101 352 3HG2 THR 48 3HG2 THR 48 2.436 -0.308 -6.528 353 H ARG 49 H ARG 49 1.401 0.693 -7.925 354 HA ARG 49 HA ARG 49 -0.580 1.262 -9.939 355 1HB ARG 49 1HB ARG 49 -2.329 2.025 -8.403 356 2HB ARG 49 2HB ARG 49 -2.009 0.307 -8.214 357 1HG ARG 49 1HG ARG 49 -0.381 1.174 -6.328 358 2HG ARG 49 2HG ARG 49 -1.481 2.555 -6.351 359 1HD ARG 49 1HD ARG 49 -2.668 -0.168 -6.296 360 2HD ARG 49 2HD ARG 49 -1.914 0.431 -4.818 361 HE ARG 49 HE ARG 49 -3.491 2.480 -5.492 362 1HH1 ARG 49 1HH1 ARG 49 -4.180 -0.954 -5.247 363 2HH1 ARG 49 2HH1 ARG 49 -5.847 -0.707 -4.848 364 1HH2 ARG 49 1HH2 ARG 49 -5.680 2.777 -4.963 365 2HH2 ARG 49 2HH2 ARG 49 -6.694 1.402 -4.688 366 H VAL 50 H VAL 50 -1.494 3.583 -9.545 367 HA VAL 50 HA VAL 50 0.644 5.339 -8.534 368 HB VAL 50 HB VAL 50 -0.907 5.889 -11.068 369 1HG1 VAL 50 1HG1 VAL 50 0.003 7.826 -9.806 370 2HG1 VAL 50 2HG1 VAL 50 1.619 7.153 -10.019 371 3HG1 VAL 50 3HG1 VAL 50 0.678 7.652 -11.426 372 1HG2 VAL 50 1HG2 VAL 50 0.512 3.912 -11.389 373 2HG2 VAL 50 2HG2 VAL 50 1.092 5.292 -12.321 374 3HG2 VAL 50 3HG2 VAL 50 1.910 4.831 -10.829 375 H GLN 51 H GLN 51 -0.058 7.366 -7.713 376 HA GLN 51 HA GLN 51 -2.927 7.438 -7.088 377 1HB GLN 51 1HB GLN 51 -0.482 8.309 -5.650 378 2HB GLN 51 2HB GLN 51 -1.930 9.279 -5.414 379 1HG GLN 51 1HG GLN 51 -2.438 6.423 -5.197 380 2HG GLN 51 2HG GLN 51 -1.248 7.001 -4.032 381 1HE2 GLN 51 2HE2 GLN 51 -4.206 6.138 -4.004 382 2HE2 GLN 51 1HE2 GLN 51 -4.960 7.352 -3.033 383 HA PRO 52 HA PRO 52 -2.389 11.909 -8.564 384 1HB PRO 52 1HB PRO 52 -0.009 13.049 -8.976 385 2HB PRO 52 2HB PRO 52 -0.663 12.866 -7.342 386 1HG PRO 52 1HG PRO 52 1.373 11.189 -8.764 387 2HG PRO 52 2HG PRO 52 1.395 11.799 -7.099 388 1HD PRO 52 1HD PRO 52 0.630 9.256 -7.769 389 2HD PRO 52 2HD PRO 52 0.041 10.114 -6.332 390 H GLU 53 H GLU 53 -3.120 11.915 -10.607 391 HA GLU 53 HA GLU 53 -1.771 10.469 -12.691 392 1HB GLU 53 1HB GLU 53 -3.645 11.159 -14.102 393 2HB GLU 53 2HB GLU 53 -4.222 10.525 -12.566 394 1HG GLU 53 1HG GLU 53 -4.195 13.050 -11.871 395 2HG GLU 53 2HG GLU 53 -4.274 13.308 -13.614 396 H GLY 54 H GLY 54 0.215 11.909 -12.259 397 1HA GLY 54 1HA GLY 54 0.359 13.803 -14.442 398 2HA GLY 54 2HA GLY 54 0.556 14.522 -12.854 399 HA PRO 55 HA PRO 55 4.853 13.553 -12.667 400 1HB PRO 55 1HB PRO 55 5.206 11.844 -10.517 401 2HB PRO 55 2HB PRO 55 5.069 13.601 -10.405 402 1HG PRO 55 1HG PRO 55 2.981 11.506 -9.976 403 2HG PRO 55 2HG PRO 55 3.282 12.996 -9.062 404 1HD PRO 55 1HD PRO 55 1.286 12.839 -10.837 405 2HD PRO 55 2HD PRO 55 2.234 14.329 -10.646 406 H ALA 56 H ALA 56 3.872 10.376 -11.387 407 HA ALA 56 HA ALA 56 5.163 9.143 -13.728 408 1HB ALA 56 1HB ALA 56 5.871 8.862 -11.128 409 2HB ALA 56 2HB ALA 56 4.789 7.485 -11.329 410 3HB ALA 56 3HB ALA 56 6.192 7.664 -12.382 411 H SER 57 H SER 57 2.624 9.860 -14.183 412 HA SER 57 HA SER 57 1.013 7.421 -13.816 413 1HB SER 57 1HB SER 57 -0.942 8.822 -14.356 414 2HB SER 57 2HB SER 57 -0.056 9.469 -12.975 415 HG SER 57 HG SER 57 0.867 11.006 -14.343 416 H LYS 58 H LYS 58 1.259 10.013 -16.241 417 HA LYS 58 HA LYS 58 0.529 8.333 -18.398 418 1HB LYS 58 1HB LYS 58 1.204 10.219 -19.826 419 2HB LYS 58 2HB LYS 58 0.185 10.738 -18.490 420 1HG LYS 58 1HG LYS 58 2.222 11.443 -17.268 421 2HG LYS 58 2HG LYS 58 3.175 11.030 -18.695 422 1HD LYS 58 1HD LYS 58 0.885 12.794 -19.224 423 2HD LYS 58 2HD LYS 58 2.122 13.492 -18.178 424 1HE LYS 58 1HE LYS 58 2.519 14.001 -20.547 425 2HE LYS 58 2HE LYS 58 3.826 13.047 -19.845 426 1HZ LYS 58 1HZ LYS 58 1.606 11.929 -21.471 427 2HZ LYS 58 2HZ LYS 58 3.152 12.276 -22.063 428 3HZ LYS 58 3HZ LYS 58 2.946 11.082 -20.881 429 H LEU 59 H LEU 59 3.513 8.570 -16.713 430 HA LEU 59 HA LEU 59 5.098 7.803 -19.036 431 1HB LEU 59 1HB LEU 59 5.754 8.530 -16.196 432 2HB LEU 59 2HB LEU 59 6.950 7.785 -17.243 433 HG LEU 59 HG LEU 59 5.571 10.170 -18.335 434 1HD1 LEU 59 1HD1 LEU 59 7.487 10.310 -16.020 435 2HD1 LEU 59 2HD1 LEU 59 7.196 11.656 -17.122 436 3HD1 LEU 59 3HD1 LEU 59 5.876 11.017 -16.142 437 1HD2 LEU 59 1HD2 LEU 59 7.379 8.866 -19.484 438 2HD2 LEU 59 2HD2 LEU 59 7.696 10.593 -19.318 439 3HD2 LEU 59 3HD2 LEU 59 8.492 9.443 -18.243 440 H LEU 60 H LEU 60 4.620 6.549 -15.723 441 HA LEU 60 HA LEU 60 5.459 3.902 -16.617 442 1HB LEU 60 1HB LEU 60 4.795 4.955 -13.867 443 2HB LEU 60 2HB LEU 60 5.362 3.330 -14.206 444 HG LEU 60 HG LEU 60 7.006 5.684 -15.057 445 1HD1 LEU 60 1HD1 LEU 60 6.252 5.658 -12.524 446 2HD1 LEU 60 2HD1 LEU 60 7.518 4.438 -12.410 447 3HD1 LEU 60 3HD1 LEU 60 7.905 6.056 -12.995 448 1HD2 LEU 60 1HD2 LEU 60 7.601 3.450 -15.854 449 2HD2 LEU 60 2HD2 LEU 60 8.830 4.093 -14.764 450 3HD2 LEU 60 3HD2 LEU 60 7.689 2.878 -14.187 451 H GLN 61 H GLN 61 4.212 2.028 -16.357 452 HA GLN 61 HA GLN 61 1.314 2.490 -16.048 453 1HB GLN 61 1HB GLN 61 1.425 0.112 -17.432 454 2HB GLN 61 2HB GLN 61 1.115 1.681 -18.149 455 1HG GLN 61 1HG GLN 61 2.733 0.626 -19.499 456 2HG GLN 61 2HG GLN 61 3.589 1.860 -18.577 457 1HE2 GLN 61 2HE2 GLN 61 2.628 -1.536 -18.155 458 2HE2 GLN 61 1HE2 GLN 61 4.162 -2.074 -17.572 459 HA PRO 62 HA PRO 62 1.398 -0.179 -12.520 460 1HB PRO 62 1HB PRO 62 -1.174 -1.329 -13.449 461 2HB PRO 62 2HB PRO 62 -0.778 -0.543 -11.919 462 1HG PRO 62 1HG PRO 62 -2.247 0.707 -13.756 463 2HG PRO 62 2HG PRO 62 -1.049 1.586 -12.788 464 1HD PRO 62 1HD PRO 62 -0.871 0.636 -15.618 465 2HD PRO 62 2HD PRO 62 -0.301 2.158 -14.903 466 H GLY 63 H GLY 63 2.349 -2.054 -12.093 467 1HA GLY 63 1HA GLY 63 2.721 -4.355 -12.199 468 2HA GLY 63 2HA GLY 63 1.742 -4.425 -13.653 469 H ASP 64 H ASP 64 4.284 -2.069 -13.533 470 HA ASP 64 HA ASP 64 5.625 -3.424 -15.712 471 1HB ASP 64 1HB ASP 64 6.924 -1.364 -15.906 472 2HB ASP 64 2HB ASP 64 5.209 -0.993 -15.779 473 H LYS 65 H LYS 65 8.270 -2.754 -15.407 474 HA LYS 65 HA LYS 65 9.131 -3.879 -12.849 475 1HB LYS 65 1HB LYS 65 8.900 -5.762 -14.460 476 2HB LYS 65 2HB LYS 65 10.071 -4.970 -15.505 477 1HG LYS 65 1HG LYS 65 11.722 -5.095 -13.652 478 2HG LYS 65 2HG LYS 65 10.548 -6.037 -12.733 479 1HD LYS 65 1HD LYS 65 10.609 -7.809 -14.312 480 2HD LYS 65 2HD LYS 65 11.507 -6.834 -15.472 481 1HE LYS 65 1HE LYS 65 12.913 -8.502 -14.300 482 2HE LYS 65 2HE LYS 65 13.450 -6.842 -14.051 483 1HZ LYS 65 1HZ LYS 65 11.779 -8.373 -12.133 484 2HZ LYS 65 2HZ LYS 65 13.456 -8.190 -12.008 485 3HZ LYS 65 3HZ LYS 65 12.447 -6.837 -11.889 486 H ILE 66 H ILE 66 10.789 -2.794 -12.033 487 HA ILE 66 HA ILE 66 12.180 -0.849 -13.701 488 HB ILE 66 HB ILE 66 12.492 -1.293 -10.726 489 1HG1 ILE 66 1HG1 ILE 66 10.758 0.802 -12.036 490 2HG1 ILE 66 2HG1 ILE 66 10.123 -0.757 -11.520 491 1HG2 ILE 66 1HG2 ILE 66 14.302 -0.041 -11.782 492 2HG2 ILE 66 2HG2 ILE 66 13.130 1.078 -12.479 493 3HG2 ILE 66 3HG2 ILE 66 13.341 0.999 -10.730 494 1HD1 ILE 66 1HD1 ILE 66 11.201 -0.109 -9.235 495 2HD1 ILE 66 2HD1 ILE 66 11.100 1.528 -9.886 496 3HD1 ILE 66 3HD1 ILE 66 9.638 0.555 -9.711 497 H ILE 67 H ILE 67 14.028 -1.380 -14.668 498 HA ILE 67 HA ILE 67 15.582 -3.629 -13.609 499 HB ILE 67 HB ILE 67 15.760 -2.330 -16.335 500 1HG1 ILE 67 1HG1 ILE 67 14.367 -4.876 -15.469 501 2HG1 ILE 67 2HG1 ILE 67 13.566 -3.379 -15.929 502 1HG2 ILE 67 1HG2 ILE 67 17.809 -3.522 -15.575 503 2HG2 ILE 67 2HG2 ILE 67 16.846 -4.990 -15.413 504 3HG2 ILE 67 3HG2 ILE 67 17.057 -4.244 -16.997 505 1HD1 ILE 67 1HD1 ILE 67 14.769 -3.658 -18.172 506 2HD1 ILE 67 2HD1 ILE 67 15.057 -5.318 -17.649 507 3HD1 ILE 67 3HD1 ILE 67 13.406 -4.719 -17.815 508 H GLN 68 H GLN 68 15.882 -0.191 -14.367 509 HA GLN 68 HA GLN 68 18.399 -0.156 -12.900 510 1HB GLN 68 1HB GLN 68 18.679 -0.403 -15.524 511 2HB GLN 68 2HB GLN 68 18.404 1.334 -15.482 512 1HG GLN 68 1HG GLN 68 20.430 0.130 -13.659 513 2HG GLN 68 2HG GLN 68 20.822 0.369 -15.361 514 1HE2 GLN 68 2HE2 GLN 68 20.676 2.527 -16.212 515 2HE2 GLN 68 1HE2 GLN 68 20.935 3.881 -15.171 516 H ALA 69 H ALA 69 18.879 1.782 -11.925 517 HA ALA 69 HA ALA 69 17.188 4.103 -12.456 518 1HB ALA 69 1HB ALA 69 16.011 2.745 -10.746 519 2HB ALA 69 2HB ALA 69 17.408 2.938 -9.686 520 3HB ALA 69 3HB ALA 69 16.472 4.350 -10.177 521 H ASN 70 H ASN 70 18.431 5.835 -12.568 522 HA ASN 70 HA ASN 70 20.270 7.193 -12.459 523 1HB ASN 70 1HB ASN 70 19.797 6.472 -9.569 524 2HB ASN 70 2HB ASN 70 20.874 7.769 -10.081 525 1HD2 ASN 70 2HD2 ASN 70 19.768 9.484 -9.321 526 2HD2 ASN 70 1HD2 ASN 70 18.184 9.934 -9.844 527 H GLY 71 H GLY 71 21.142 4.632 -13.212 528 1HA GLY 71 1HA GLY 71 23.307 3.841 -13.631 529 2HA GLY 71 2HA GLY 71 23.891 4.769 -12.262 530 H TYR 72 H TYR 72 21.538 3.432 -10.691 531 HA TYR 72 HA TYR 72 23.094 1.042 -10.009 532 1HB TYR 72 1HB TYR 72 21.801 3.057 -8.464 533 2HB TYR 72 2HB TYR 72 20.976 1.541 -8.133 534 HD1 TYR 72 HD1 TYR 72 24.599 1.896 -8.918 535 HD2 TYR 72 HD2 TYR 72 21.672 1.208 -5.905 536 HE1 TYR 72 HE1 TYR 72 26.378 1.277 -7.336 537 HE2 TYR 72 HE2 TYR 72 23.444 0.586 -4.320 538 HH TYR 72 HH TYR 72 25.753 -0.249 -4.372 539 H SER 73 H SER 73 22.382 -0.895 -10.599 540 HA SER 73 HA SER 73 19.909 -1.221 -11.977 541 1HB SER 73 1HB SER 73 21.824 -3.337 -10.971 542 2HB SER 73 2HB SER 73 20.559 -3.569 -12.177 543 HG SER 73 HG SER 73 22.518 -3.234 -13.218 544 H PHE 74 H PHE 74 18.145 -2.557 -11.417 545 HA PHE 74 HA PHE 74 17.753 -2.866 -8.511 546 1HB PHE 74 1HB PHE 74 15.953 -1.993 -10.719 547 2HB PHE 74 2HB PHE 74 15.237 -2.902 -9.394 548 HD1 PHE 74 HD1 PHE 74 17.938 -0.334 -9.410 549 HD2 PHE 74 HD2 PHE 74 14.023 -1.410 -8.130 550 HE1 PHE 74 HE1 PHE 74 17.811 1.728 -8.070 551 HE2 PHE 74 HE2 PHE 74 13.891 0.649 -6.791 552 HZ PHE 74 HZ PHE 74 15.786 2.220 -6.759 553 H ILE 75 H ILE 75 18.834 -4.839 -10.656 554 HA ILE 75 HA ILE 75 16.801 -6.933 -10.445 555 HB ILE 75 HB ILE 75 19.425 -7.061 -11.937 556 1HG1 ILE 75 1HG1 ILE 75 18.051 -5.219 -12.809 557 2HG1 ILE 75 2HG1 ILE 75 18.136 -6.545 -13.963 558 1HG2 ILE 75 1HG2 ILE 75 16.916 -8.727 -12.082 559 2HG2 ILE 75 2HG2 ILE 75 18.282 -8.865 -13.188 560 3HG2 ILE 75 3HG2 ILE 75 18.492 -9.234 -11.476 561 1HD1 ILE 75 1HD1 ILE 75 15.896 -7.219 -12.649 562 2HD1 ILE 75 2HD1 ILE 75 15.838 -5.464 -12.485 563 3HD1 ILE 75 3HD1 ILE 75 15.923 -6.197 -14.087 564 H ASN 76 H ASN 76 17.008 -8.665 -9.153 565 HA ASN 76 HA ASN 76 17.784 -10.048 -7.527 566 1HB ASN 76 1HB ASN 76 20.415 -9.367 -8.855 567 2HB ASN 76 2HB ASN 76 20.263 -10.562 -7.571 568 1HD2 ASN 76 2HD2 ASN 76 21.056 -12.115 -9.062 569 2HD2 ASN 76 1HD2 ASN 76 20.012 -12.810 -10.249 570 H ILE 77 H ILE 77 17.003 -7.977 -6.312 571 HA ILE 77 HA ILE 77 19.078 -7.374 -4.350 572 HB ILE 77 HB ILE 77 18.487 -4.982 -4.292 573 1HG1 ILE 77 1HG1 ILE 77 17.144 -5.333 -6.960 574 2HG1 ILE 77 2HG1 ILE 77 16.221 -5.439 -5.464 575 1HG2 ILE 77 1HG2 ILE 77 20.446 -5.750 -5.533 576 2HG2 ILE 77 2HG2 ILE 77 19.458 -5.930 -6.983 577 3HG2 ILE 77 3HG2 ILE 77 19.721 -4.331 -6.287 578 1HD1 ILE 77 1HD1 ILE 77 17.913 -3.075 -6.224 579 2HD1 ILE 77 2HD1 ILE 77 16.186 -3.206 -6.554 580 3HD1 ILE 77 3HD1 ILE 77 16.767 -3.193 -4.889 581 H GLU 78 H GLU 78 18.189 -6.307 -2.400 582 HA GLU 78 HA GLU 78 15.753 -7.635 -1.604 583 1HB GLU 78 1HB GLU 78 17.670 -5.857 -0.088 584 2HB GLU 78 2HB GLU 78 16.269 -6.639 0.633 585 1HG GLU 78 1HG GLU 78 17.267 -8.829 -0.174 586 2HG GLU 78 2HG GLU 78 18.742 -7.914 -0.484 587 H HIS 79 H HIS 79 13.848 -6.660 -0.929 588 HA HIS 79 HA HIS 79 12.888 -4.502 -2.352 589 1HB HIS 79 1HB HIS 79 11.652 -6.278 -0.872 590 2HB HIS 79 2HB HIS 79 11.760 -5.033 0.370 591 HD1 HIS 79 HD1 HIS 79 9.319 -4.374 0.441 592 HD2 HIS 79 HD2 HIS 79 10.930 -4.224 -3.386 593 HE1 HIS 79 HE1 HIS 79 7.581 -3.235 -0.980 594 HE2 HIS 79 HE2 HIS 79 8.629 -3.054 -3.262 595 H GLY 80 H GLY 80 13.943 -4.431 1.074 596 1HA GLY 80 1HA GLY 80 13.536 -1.722 1.567 597 2HA GLY 80 2HA GLY 80 14.751 -2.708 2.364 598 H GLN 81 H GLN 81 16.060 -3.238 -0.293 599 HA GLN 81 HA GLN 81 17.868 -1.017 -0.238 600 1HB GLN 81 1HB GLN 81 18.383 -3.491 -0.761 601 2HB GLN 81 2HB GLN 81 17.781 -3.138 -2.374 602 1HG GLN 81 1HG GLN 81 19.841 -1.326 -1.263 603 2HG GLN 81 2HG GLN 81 20.344 -2.950 -1.729 604 1HE2 GLN 81 2HE2 GLN 81 21.631 -2.069 -3.376 605 2HE2 GLN 81 1HE2 GLN 81 20.939 -1.496 -4.851 606 H ALA 82 H ALA 82 15.351 -2.182 -2.408 607 HA ALA 82 HA ALA 82 15.822 -0.281 -4.465 608 1HB ALA 82 1HB ALA 82 14.684 -2.375 -4.918 609 2HB ALA 82 2HB ALA 82 13.357 -1.906 -3.858 610 3HB ALA 82 3HB ALA 82 13.653 -1.010 -5.348 611 H VAL 83 H VAL 83 13.690 -0.321 -1.642 612 HA VAL 83 HA VAL 83 12.232 2.018 -2.366 613 HB VAL 83 HB VAL 83 12.625 0.891 0.413 614 1HG1 VAL 83 1HG1 VAL 83 11.673 3.184 0.274 615 2HG1 VAL 83 2HG1 VAL 83 10.347 2.530 -0.687 616 3HG1 VAL 83 3HG1 VAL 83 10.572 2.000 0.979 617 1HG2 VAL 83 1HG2 VAL 83 11.735 -0.693 -1.420 618 2HG2 VAL 83 2HG2 VAL 83 10.837 -0.562 0.093 619 3HG2 VAL 83 3HG2 VAL 83 10.274 0.292 -1.343 620 H SER 84 H SER 84 15.011 1.429 -0.246 621 HA SER 84 HA SER 84 15.302 4.042 0.730 622 1HB SER 84 1HB SER 84 17.354 1.859 0.316 623 2HB SER 84 2HB SER 84 17.669 3.355 1.194 624 HG SER 84 HG SER 84 15.953 1.226 1.868 625 H LEU 85 H LEU 85 16.509 2.504 -2.204 626 HA LEU 85 HA LEU 85 18.283 4.555 -2.983 627 1HB LEU 85 1HB LEU 85 16.884 2.341 -4.437 628 2HB LEU 85 2HB LEU 85 17.808 3.536 -5.328 629 HG LEU 85 HG LEU 85 18.874 1.675 -3.204 630 1HD1 LEU 85 1HD1 LEU 85 18.339 0.734 -5.479 631 2HD1 LEU 85 2HD1 LEU 85 19.573 1.816 -6.125 632 3HD1 LEU 85 3HD1 LEU 85 20.016 0.570 -4.958 633 1HD2 LEU 85 1HD2 LEU 85 20.171 3.923 -4.726 634 2HD2 LEU 85 2HD2 LEU 85 20.102 3.682 -2.981 635 3HD2 LEU 85 3HD2 LEU 85 21.094 2.619 -3.979 636 H LEU 86 H LEU 86 14.900 3.913 -3.878 637 HA LEU 86 HA LEU 86 14.677 6.078 -5.669 638 1HB LEU 86 1HB LEU 86 12.682 4.406 -4.181 639 2HB LEU 86 2HB LEU 86 12.160 5.769 -5.157 640 HG LEU 86 HG LEU 86 13.737 3.402 -6.173 641 1HD1 LEU 86 1HD1 LEU 86 11.446 2.807 -5.577 642 2HD1 LEU 86 2HD1 LEU 86 10.840 4.137 -6.565 643 3HD1 LEU 86 3HD1 LEU 86 11.681 2.786 -7.325 644 1HD2 LEU 86 1HD2 LEU 86 12.627 5.848 -7.534 645 2HD2 LEU 86 2HD2 LEU 86 14.303 5.301 -7.482 646 3HD2 LEU 86 3HD2 LEU 86 13.106 4.389 -8.403 647 H LYS 87 H LYS 87 14.049 5.822 -2.199 648 HA LYS 87 HA LYS 87 12.827 8.370 -1.963 649 1HB LYS 87 1HB LYS 87 14.036 6.459 0.021 650 2HB LYS 87 2HB LYS 87 13.389 8.018 0.517 651 1HG LYS 87 1HG LYS 87 11.203 7.417 -0.319 652 2HG LYS 87 2HG LYS 87 11.831 5.888 -0.936 653 1HD LYS 87 1HD LYS 87 12.347 5.161 1.323 654 2HD LYS 87 2HD LYS 87 11.812 6.714 1.967 655 1HE LYS 87 1HE LYS 87 9.972 5.002 0.334 656 2HE LYS 87 2HE LYS 87 10.195 4.704 2.058 657 1HZ LYS 87 1HZ LYS 87 9.527 7.011 2.476 658 2HZ LYS 87 2HZ LYS 87 9.243 7.231 0.823 659 3HZ LYS 87 3HZ LYS 87 8.307 6.130 1.703 660 H THR 88 H THR 88 16.188 7.261 -1.533 661 HA THR 88 HA THR 88 17.092 9.733 -0.463 662 HB THR 88 HB THR 88 18.221 7.597 -0.027 663 HG1 THR 88 HG1 THR 88 19.883 9.427 -1.415 664 1HG2 THR 88 1HG2 THR 88 19.238 7.730 -2.850 665 2HG2 THR 88 2HG2 THR 88 19.616 6.518 -1.626 666 3HG2 THR 88 3HG2 THR 88 17.988 6.619 -2.294 667 H PHE 89 H PHE 89 16.751 8.561 -3.761 668 HA PHE 89 HA PHE 89 18.603 10.033 -5.143 669 1HB PHE 89 1HB PHE 89 15.777 9.322 -5.879 670 2HB PHE 89 2HB PHE 89 16.841 10.150 -7.003 671 HD1 PHE 89 HD1 PHE 89 19.421 8.648 -6.303 672 HD2 PHE 89 HD2 PHE 89 15.432 7.336 -7.025 673 HE1 PHE 89 HE1 PHE 89 20.275 6.469 -7.049 674 HE2 PHE 89 HE2 PHE 89 16.286 5.155 -7.769 675 HZ PHE 89 HZ PHE 89 18.707 4.719 -7.783 676 H GLN 90 H GLN 90 18.066 11.896 -6.702 677 HA GLN 90 HA GLN 90 17.423 14.182 -5.058 678 1HB GLN 90 1HB GLN 90 18.378 15.481 -6.876 679 2HB GLN 90 2HB GLN 90 19.417 14.115 -6.505 680 1HG GLN 90 1HG GLN 90 18.040 12.966 -8.423 681 2HG GLN 90 2HG GLN 90 17.768 14.638 -8.911 682 1HE2 GLN 90 2HE2 GLN 90 19.044 14.955 -10.602 683 2HE2 GLN 90 1HE2 GLN 90 20.738 14.617 -10.663 684 H ASN 91 H ASN 91 16.515 15.707 -7.674 685 HA ASN 91 HA ASN 91 13.716 15.379 -7.179 686 1HB ASN 91 1HB ASN 91 15.207 17.067 -9.196 687 2HB ASN 91 2HB ASN 91 13.473 17.156 -8.900 688 1HD2 ASN 91 2HD2 ASN 91 16.557 18.170 -7.917 689 2HD2 ASN 91 1HD2 ASN 91 16.078 19.081 -6.530 690 H THR 92 H THR 92 15.444 15.363 -10.320 691 HA THR 92 HA THR 92 13.363 13.730 -11.470 692 HB THR 92 HB THR 92 14.993 13.775 -13.494 693 HG1 THR 92 HG1 THR 92 16.865 14.470 -12.661 694 1HG2 THR 92 1HG2 THR 92 14.520 16.344 -13.765 695 2HG2 THR 92 2HG2 THR 92 13.226 15.150 -13.872 696 3HG2 THR 92 3HG2 THR 92 13.466 16.060 -12.380 697 H VAL 93 H VAL 93 13.310 11.603 -11.570 698 HA VAL 93 HA VAL 93 15.785 10.100 -11.011 699 HB VAL 93 HB VAL 93 12.966 9.090 -10.590 700 1HG1 VAL 93 1HG1 VAL 93 14.726 7.392 -10.903 701 2HG1 VAL 93 2HG1 VAL 93 15.610 8.083 -9.543 702 3HG1 VAL 93 3HG1 VAL 93 14.027 7.349 -9.285 703 1HG2 VAL 93 1HG2 VAL 93 13.445 11.042 -9.132 704 2HG2 VAL 93 2HG2 VAL 93 13.210 9.542 -8.236 705 3HG2 VAL 93 3HG2 VAL 93 14.837 10.174 -8.486 706 H GLU 94 H GLU 94 16.598 9.194 -12.779 707 HA GLU 94 HA GLU 94 14.882 8.621 -15.056 708 1HB GLU 94 1HB GLU 94 17.874 8.275 -14.738 709 2HB GLU 94 2HB GLU 94 16.975 8.124 -16.243 710 1HG GLU 94 1HG GLU 94 17.805 10.251 -16.421 711 2HG GLU 94 2HG GLU 94 16.217 10.556 -15.719 712 H LEU 95 H LEU 95 13.828 6.759 -15.107 713 HA LEU 95 HA LEU 95 15.101 4.375 -13.928 714 1HB LEU 95 1HB LEU 95 12.155 4.839 -14.369 715 2HB LEU 95 2HB LEU 95 12.898 3.519 -13.484 716 HG LEU 95 HG LEU 95 13.433 6.284 -12.525 717 1HD1 LEU 95 1HD1 LEU 95 11.031 6.331 -12.963 718 2HD1 LEU 95 2HD1 LEU 95 10.829 4.839 -12.044 719 3HD1 LEU 95 3HD1 LEU 95 11.364 6.310 -11.232 720 1HD2 LEU 95 1HD2 LEU 95 14.486 4.363 -11.462 721 2HD2 LEU 95 2HD2 LEU 95 13.358 5.154 -10.360 722 3HD2 LEU 95 3HD2 LEU 95 12.901 3.650 -11.160 723 H ILE 96 H ILE 96 14.827 2.374 -14.943 724 HA ILE 96 HA ILE 96 14.210 2.517 -17.823 725 HB ILE 96 HB ILE 96 16.020 0.528 -16.431 726 1HG1 ILE 96 1HG1 ILE 96 16.945 2.832 -16.414 727 2HG1 ILE 96 2HG1 ILE 96 17.896 1.728 -17.402 728 1HG2 ILE 96 1HG2 ILE 96 15.443 1.018 -19.349 729 2HG2 ILE 96 2HG2 ILE 96 16.738 -0.018 -18.747 730 3HG2 ILE 96 3HG2 ILE 96 15.055 -0.424 -18.411 731 1HD1 ILE 96 1HD1 ILE 96 15.799 3.283 -18.786 732 2HD1 ILE 96 2HD1 ILE 96 17.209 4.168 -18.203 733 3HD1 ILE 96 3HD1 ILE 96 17.414 2.820 -19.320 734 H ILE 97 H ILE 97 12.456 1.399 -18.448 735 HA ILE 97 HA ILE 97 11.529 -0.822 -16.738 736 HB ILE 97 HB ILE 97 9.193 -0.177 -17.310 737 1HG1 ILE 97 1HG1 ILE 97 10.373 2.458 -18.184 738 2HG1 ILE 97 2HG1 ILE 97 9.911 1.198 -19.323 739 1HG2 ILE 97 1HG2 ILE 97 10.382 0.462 -15.184 740 2HG2 ILE 97 2HG2 ILE 97 10.645 2.051 -15.903 741 3HG2 ILE 97 3HG2 ILE 97 9.003 1.473 -15.618 742 1HD1 ILE 97 1HD1 ILE 97 7.642 1.388 -17.910 743 2HD1 ILE 97 2HD1 ILE 97 8.241 3.038 -17.749 744 3HD1 ILE 97 3HD1 ILE 97 7.980 2.348 -19.350 745 H VAL 98 H VAL 98 10.194 -2.409 -17.812 746 HA VAL 98 HA VAL 98 10.397 -2.495 -20.728 747 HB VAL 98 HB VAL 98 11.453 -4.685 -18.921 748 1HG1 VAL 98 1HG1 VAL 98 10.358 -5.482 -21.043 749 2HG1 VAL 98 2HG1 VAL 98 11.594 -4.587 -21.930 750 3HG1 VAL 98 3HG1 VAL 98 12.059 -5.913 -20.864 751 1HG2 VAL 98 1HG2 VAL 98 12.878 -2.767 -20.754 752 2HG2 VAL 98 2HG2 VAL 98 12.978 -2.828 -18.994 753 3HG2 VAL 98 3HG2 VAL 98 13.631 -4.150 -19.961 754 H ARG 99 H ARG 99 8.923 -3.910 -21.725 755 HA ARG 99 HA ARG 99 6.757 -4.875 -19.971 756 1HB ARG 99 1HB ARG 99 6.482 -4.232 -22.908 757 2HB ARG 99 2HB ARG 99 5.200 -4.484 -21.734 758 1HG ARG 99 1HG ARG 99 7.128 -2.224 -21.409 759 2HG ARG 99 2HG ARG 99 5.761 -2.087 -22.514 760 1HD ARG 99 1HD ARG 99 5.643 -2.630 -19.551 761 2HD ARG 99 2HD ARG 99 5.186 -1.148 -20.366 762 HE ARG 99 HE ARG 99 3.264 -2.201 -21.214 763 1HH1 ARG 99 1HH1 ARG 99 5.021 -4.427 -19.082 764 2HH1 ARG 99 2HH1 ARG 99 3.639 -5.433 -18.855 765 1HH2 ARG 99 1HH2 ARG 99 1.515 -3.568 -20.877 766 2HH2 ARG 99 2HH2 ARG 99 1.677 -4.960 -19.859 767 H GLU 100 H GLU 100 6.742 -7.024 -19.774 768 HA GLU 100 HA GLU 100 8.315 -8.725 -21.390 769 1HB GLU 100 1HB GLU 100 6.076 -9.453 -19.499 770 2HB GLU 100 2HB GLU 100 7.322 -10.541 -20.098 771 1HG GLU 100 1HG GLU 100 8.115 -8.066 -18.640 772 2HG GLU 100 2HG GLU 100 7.527 -9.459 -17.733 773 H VAL 101 H VAL 101 7.787 -10.200 -22.941 774 HA VAL 101 HA VAL 101 5.041 -10.403 -23.891 775 HB VAL 101 HB VAL 101 7.259 -9.584 -25.776 776 1HG1 VAL 101 1HG1 VAL 101 5.454 -10.967 -26.749 777 2HG1 VAL 101 2HG1 VAL 101 4.283 -9.754 -26.233 778 3HG1 VAL 101 3HG1 VAL 101 5.516 -9.340 -27.425 779 1HG2 VAL 101 1HG2 VAL 101 6.706 -7.736 -24.282 780 2HG2 VAL 101 2HG2 VAL 101 6.145 -7.413 -25.924 781 3HG2 VAL 101 3HG2 VAL 101 4.997 -7.916 -24.682 782 H SER 102 H SER 102 4.894 -12.576 -23.630 783 HA SER 102 HA SER 102 6.535 -14.243 -25.352 784 1HB SER 102 1HB SER 102 6.433 -14.651 -22.354 785 2HB SER 102 2HB SER 102 7.090 -15.818 -23.503 786 HG SER 102 HG SER 102 8.803 -14.586 -23.805 787 H SER 103 H SER 103 5.759 -16.542 -25.328 788 HA SER 103 HA SER 103 2.834 -16.547 -25.162 789 1HB SER 103 1HB SER 103 3.950 -17.141 -27.326 790 2HB SER 103 2HB SER 103 4.641 -18.553 -26.529 791 HG SER 103 HG SER 103 2.487 -18.664 -27.744 792 1H THR 301 1H THR 301 0.123 -3.437 9.359 793 2H THR 301 2H THR 301 -0.295 -4.743 8.327 794 3H THR 301 3H THR 301 -0.953 -3.182 8.050 795 HA THR 301 HA THR 301 1.209 -2.327 7.569 796 HB THR 301 HB THR 301 3.068 -3.989 7.322 797 HG1 THR 301 HG1 THR 301 1.943 -5.899 7.200 798 1HG2 THR 301 1HG2 THR 301 1.978 -3.990 10.122 799 2HG2 THR 301 2HG2 THR 301 3.660 -4.152 9.614 800 3HG2 THR 301 3HG2 THR 301 2.815 -2.619 9.392 801 H GLY 302 H GLY 302 1.269 -1.933 5.449 802 1HA GLY 302 1HA GLY 302 -0.129 -3.737 3.643 803 2HA GLY 302 2HA GLY 302 0.442 -2.118 3.268 804 H TRP 303 H TRP 303 0.732 -4.694 1.815 805 HA TRP 303 HA TRP 303 3.496 -5.430 2.012 806 1HB TRP 303 1HB TRP 303 2.995 -6.610 -0.230 807 2HB TRP 303 2HB TRP 303 2.182 -7.190 1.215 808 HD1 TRP 303 HD1 TRP 303 -0.443 -6.928 1.335 809 HE1 TRP 303 HE1 TRP 303 -2.229 -6.375 -0.430 810 HE3 TRP 303 HE3 TRP 303 2.601 -5.157 -2.373 811 HZ2 TRP 303 HZ2 TRP 303 -2.336 -5.332 -3.045 812 HZ3 TRP 303 HZ3 TRP 303 1.574 -4.405 -4.479 813 HH2 TRP 303 HH2 TRP 303 -0.845 -4.491 -4.806 814 H GLU 304 H GLU 304 1.665 -3.151 0.099 815 HA GLU 304 HA GLU 304 3.863 -2.655 -1.720 816 1HB GLU 304 1HB GLU 304 2.412 -0.931 -2.680 817 2HB GLU 304 2HB GLU 304 1.557 -2.460 -2.523 818 1HG GLU 304 1HG GLU 304 0.904 -1.311 -0.180 819 2HG GLU 304 2HG GLU 304 1.089 0.119 -1.194 820 H THR 305 H THR 305 4.675 -0.384 -2.001 821 HA THR 305 HA THR 305 4.744 1.142 0.498 822 HB THR 305 HB THR 305 7.277 0.531 -1.015 823 HG1 THR 305 HG1 THR 305 6.778 -1.430 -0.258 824 1HG2 THR 305 1HG2 THR 305 8.291 1.030 1.223 825 2HG2 THR 305 2HG2 THR 305 7.568 2.405 0.389 826 3HG2 THR 305 3HG2 THR 305 6.708 1.630 1.719 827 H TRP 306 H TRP 306 4.078 3.113 -0.027 828 HA TRP 306 HA TRP 306 4.366 4.145 -2.706 829 1HB TRP 306 1HB TRP 306 3.148 5.247 -0.176 830 2HB TRP 306 2HB TRP 306 3.266 6.198 -1.653 831 HD1 TRP 306 HD1 TRP 306 1.293 3.381 -0.060 832 HE1 TRP 306 HE1 TRP 306 -0.699 2.784 -1.576 833 HE3 TRP 306 HE3 TRP 306 2.547 6.144 -4.175 834 HZ2 TRP 306 HZ2 TRP 306 -1.617 3.403 -4.172 835 HZ3 TRP 306 HZ3 TRP 306 1.058 6.086 -6.133 836 HH2 TRP 306 HH2 TRP 306 -0.982 4.744 -6.130 837 H VAL 307 H VAL 307 6.358 4.782 -3.279 838 HA VAL 307 HA VAL 307 8.146 6.035 -1.385 839 HB VAL 307 HB VAL 307 9.698 6.194 -3.343 840 1HG1 VAL 307 1HG1 VAL 307 9.729 4.281 -1.811 841 2HG1 VAL 307 2HG1 VAL 307 8.542 3.457 -2.823 842 3HG1 VAL 307 3HG1 VAL 307 10.150 3.806 -3.457 843 1HG2 VAL 307 1HG2 VAL 307 7.775 6.274 -5.008 844 2HG2 VAL 307 2HG2 VAL 307 9.160 5.269 -5.437 845 3HG2 VAL 307 3HG2 VAL 307 7.685 4.522 -4.821 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -7.012 -8.718 -24.614 2 2H GLY 1 2H GLY 1 -7.938 -9.402 -25.852 3 3H GLY 1 3H GLY 1 -8.404 -9.606 -24.239 4 1HA GLY 1 1HA GLY 1 -9.782 -7.950 -25.354 5 2HA GLY 1 2HA GLY 1 -8.877 -7.274 -24.009 6 H SER 2 H SER 2 -6.415 -6.834 -25.014 7 HA SER 2 HA SER 2 -6.915 -4.634 -26.837 8 1HB SER 2 1HB SER 2 -5.450 -4.372 -24.832 9 2HB SER 2 2HB SER 2 -4.306 -5.496 -25.565 10 HG SER 2 HG SER 2 -4.133 -3.035 -25.876 11 H HIS 3 H HIS 3 -5.068 -4.269 -28.518 12 HA HIS 3 HA HIS 3 -5.085 -6.613 -30.242 13 1HB HIS 3 1HB HIS 3 -5.705 -4.280 -31.031 14 2HB HIS 3 2HB HIS 3 -3.998 -3.874 -30.894 15 HD1 HIS 3 HD1 HIS 3 -6.353 -6.040 -32.878 16 HD2 HIS 3 HD2 HIS 3 -2.398 -4.765 -32.962 17 HE1 HIS 3 HE1 HIS 3 -5.463 -6.752 -35.120 18 HE2 HIS 3 HE2 HIS 3 -3.049 -6.037 -35.118 19 H MET 4 H MET 4 -3.431 -7.966 -30.351 20 HA MET 4 HA MET 4 -0.711 -6.947 -29.965 21 1HB MET 4 1HB MET 4 -2.143 -8.751 -28.186 22 2HB MET 4 2HB MET 4 -0.671 -9.496 -28.795 23 1HG MET 4 1HG MET 4 -0.069 -8.430 -26.797 24 2HG MET 4 2HG MET 4 0.534 -7.394 -28.090 25 1HE MET 4 1HE MET 4 0.683 -5.245 -27.678 26 2HE MET 4 2HE MET 4 -0.417 -4.152 -26.839 27 3HE MET 4 3HE MET 4 0.595 -5.265 -25.918 28 H GLY 5 H GLY 5 -0.326 -7.138 -32.175 29 1HA GLY 5 1HA GLY 5 0.397 -9.777 -33.063 30 2HA GLY 5 2HA GLY 5 -0.988 -9.124 -33.923 31 H HIS 6 H HIS 6 1.665 -7.158 -32.736 32 HA HIS 6 HA HIS 6 2.327 -6.494 -35.524 33 1HB HIS 6 1HB HIS 6 2.626 -4.981 -32.936 34 2HB HIS 6 2HB HIS 6 3.498 -4.502 -34.389 35 HD1 HIS 6 HD1 HIS 6 1.848 -2.319 -33.713 36 HD2 HIS 6 HD2 HIS 6 0.144 -5.620 -35.576 37 HE1 HIS 6 HE1 HIS 6 -0.312 -1.493 -34.702 38 HE2 HIS 6 HE2 HIS 6 -1.288 -3.490 -35.888 39 H GLU 7 H GLU 7 4.628 -6.005 -35.981 40 HA GLU 7 HA GLU 7 6.302 -8.112 -34.892 41 1HB GLU 7 1HB GLU 7 6.814 -6.101 -37.094 42 2HB GLU 7 2HB GLU 7 7.898 -7.416 -36.658 43 1HG GLU 7 1HG GLU 7 5.791 -8.900 -37.090 44 2HG GLU 7 2HG GLU 7 5.261 -7.510 -38.036 45 H LEU 8 H LEU 8 7.059 -7.572 -32.898 46 HA LEU 8 HA LEU 8 9.061 -5.527 -32.751 47 1HB LEU 8 1HB LEU 8 6.569 -4.621 -32.250 48 2HB LEU 8 2HB LEU 8 7.015 -5.164 -30.642 49 HG LEU 8 HG LEU 8 9.182 -3.789 -31.056 50 1HD1 LEU 8 1HD1 LEU 8 8.682 -3.376 -33.443 51 2HD1 LEU 8 2HD1 LEU 8 7.292 -2.406 -32.952 52 3HD1 LEU 8 3HD1 LEU 8 8.923 -1.895 -32.517 53 1HD2 LEU 8 1HD2 LEU 8 6.487 -2.556 -30.513 54 2HD2 LEU 8 2HD2 LEU 8 7.616 -3.222 -29.333 55 3HD2 LEU 8 3HD2 LEU 8 8.025 -1.749 -30.213 56 H ALA 9 H ALA 9 10.420 -5.744 -30.959 57 HA ALA 9 HA ALA 9 10.135 -8.297 -29.538 58 1HB ALA 9 1HB ALA 9 12.159 -7.850 -30.958 59 2HB ALA 9 2HB ALA 9 12.618 -6.606 -29.795 60 3HB ALA 9 3HB ALA 9 12.506 -8.291 -29.286 61 H LYS 10 H LYS 10 12.032 -7.637 -27.429 62 HA LYS 10 HA LYS 10 10.354 -6.744 -25.419 63 1HB LYS 10 1HB LYS 10 13.291 -7.068 -25.709 64 2HB LYS 10 2HB LYS 10 12.732 -6.111 -24.344 65 1HG LYS 10 1HG LYS 10 11.213 -8.559 -24.593 66 2HG LYS 10 2HG LYS 10 12.941 -8.887 -24.489 67 1HD LYS 10 1HD LYS 10 12.948 -7.317 -22.475 68 2HD LYS 10 2HD LYS 10 11.188 -7.439 -22.517 69 1HE LYS 10 1HE LYS 10 12.845 -9.924 -22.523 70 2HE LYS 10 2HE LYS 10 12.591 -9.051 -21.012 71 1HZ LYS 10 1HZ LYS 10 10.422 -10.034 -22.787 72 2HZ LYS 10 2HZ LYS 10 10.943 -10.808 -21.377 73 3HZ LYS 10 3HZ LYS 10 10.223 -9.279 -21.287 74 H GLN 11 H GLN 11 9.541 -4.860 -24.870 75 HA GLN 11 HA GLN 11 10.417 -2.460 -26.239 76 1HB GLN 11 1HB GLN 11 7.976 -3.290 -25.724 77 2HB GLN 11 2HB GLN 11 8.239 -2.461 -24.195 78 1HG GLN 11 1HG GLN 11 8.690 -0.387 -25.365 79 2HG GLN 11 2HG GLN 11 8.521 -1.205 -26.918 80 1HE2 GLN 11 2HE2 GLN 11 6.340 -2.583 -26.876 81 2HE2 GLN 11 1HE2 GLN 11 4.949 -1.644 -26.470 82 H GLU 12 H GLU 12 12.325 -1.813 -25.352 83 HA GLU 12 HA GLU 12 12.456 -1.268 -22.475 84 1HB GLU 12 1HB GLU 12 14.352 -2.406 -23.742 85 2HB GLU 12 2HB GLU 12 14.640 -0.854 -24.520 86 1HG GLU 12 1HG GLU 12 15.363 0.142 -22.559 87 2HG GLU 12 2HG GLU 12 14.577 -1.063 -21.541 88 H ILE 13 H ILE 13 12.123 0.753 -21.687 89 HA ILE 13 HA ILE 13 12.581 3.062 -23.419 90 HB ILE 13 HB ILE 13 10.340 4.008 -22.808 91 1HG1 ILE 13 1HG1 ILE 13 9.798 1.138 -22.003 92 2HG1 ILE 13 2HG1 ILE 13 9.859 2.517 -20.910 93 1HG2 ILE 13 1HG2 ILE 13 10.897 2.999 -25.011 94 2HG2 ILE 13 2HG2 ILE 13 10.230 1.473 -24.432 95 3HG2 ILE 13 3HG2 ILE 13 9.188 2.888 -24.591 96 1HD1 ILE 13 1HD1 ILE 13 7.937 2.529 -23.187 97 2HD1 ILE 13 2HD1 ILE 13 7.576 1.595 -21.735 98 3HD1 ILE 13 3HD1 ILE 13 7.835 3.336 -21.622 99 H ARG 14 H ARG 14 12.508 5.112 -22.326 100 HA ARG 14 HA ARG 14 13.312 4.883 -19.504 101 1HB ARG 14 1HB ARG 14 14.753 5.935 -21.455 102 2HB ARG 14 2HB ARG 14 13.767 7.354 -21.126 103 1HG ARG 14 1HG ARG 14 14.512 6.735 -18.625 104 2HG ARG 14 2HG ARG 14 15.898 6.106 -19.518 105 1HD ARG 14 1HD ARG 14 14.859 8.919 -19.417 106 2HD ARG 14 2HD ARG 14 16.448 8.327 -18.979 107 HE ARG 14 HE ARG 14 16.970 8.076 -21.288 108 1HH1 ARG 14 1HH1 ARG 14 13.871 9.777 -20.862 109 2HH1 ARG 14 2HH1 ARG 14 13.966 10.498 -22.424 110 1HH2 ARG 14 1HH2 ARG 14 16.993 9.039 -23.306 111 2HH2 ARG 14 2HH2 ARG 14 15.701 10.084 -23.795 112 H VAL 15 H VAL 15 12.633 6.470 -17.973 113 HA VAL 15 HA VAL 15 10.422 8.223 -18.703 114 HB VAL 15 HB VAL 15 9.067 7.431 -16.743 115 1HG1 VAL 15 1HG1 VAL 15 8.508 6.843 -19.065 116 2HG1 VAL 15 2HG1 VAL 15 9.496 5.388 -18.919 117 3HG1 VAL 15 3HG1 VAL 15 8.050 5.577 -17.925 118 1HG2 VAL 15 1HG2 VAL 15 11.010 5.130 -16.844 119 2HG2 VAL 15 2HG2 VAL 15 10.741 6.239 -15.500 120 3HG2 VAL 15 3HG2 VAL 15 9.476 5.105 -15.974 121 H ARG 16 H ARG 16 10.488 10.101 -17.598 122 HA ARG 16 HA ARG 16 12.424 10.297 -15.387 123 1HB ARG 16 1HB ARG 16 12.239 11.747 -17.742 124 2HB ARG 16 2HB ARG 16 11.522 12.829 -16.556 125 1HG ARG 16 1HG ARG 16 13.482 13.187 -15.494 126 2HG ARG 16 2HG ARG 16 14.055 11.540 -15.765 127 1HD ARG 16 1HD ARG 16 14.893 12.035 -17.858 128 2HD ARG 16 2HD ARG 16 13.811 13.407 -18.081 129 HE ARG 16 HE ARG 16 15.372 14.240 -16.061 130 1HH1 ARG 16 1HH1 ARG 16 16.178 12.835 -19.180 131 2HH1 ARG 16 2HH1 ARG 16 17.689 13.672 -19.294 132 1HH2 ARG 16 1HH2 ARG 16 17.358 15.327 -16.237 133 2HH2 ARG 16 2HH2 ARG 16 18.355 15.079 -17.631 134 H VAL 17 H VAL 17 11.627 10.522 -13.404 135 HA VAL 17 HA VAL 17 8.972 11.774 -13.068 136 HB VAL 17 HB VAL 17 10.176 9.730 -11.200 137 1HG1 VAL 17 1HG1 VAL 17 8.459 11.329 -10.325 138 2HG1 VAL 17 2HG1 VAL 17 7.318 10.637 -11.478 139 3HG1 VAL 17 3HG1 VAL 17 8.012 9.628 -10.209 140 1HG2 VAL 17 1HG2 VAL 17 9.757 8.751 -13.440 141 2HG2 VAL 17 2HG2 VAL 17 8.734 8.064 -12.178 142 3HG2 VAL 17 3HG2 VAL 17 8.069 9.246 -13.305 143 H GLU 18 H GLU 18 9.044 13.665 -12.054 144 HA GLU 18 HA GLU 18 11.379 14.333 -10.415 145 1HB GLU 18 1HB GLU 18 9.226 15.978 -11.727 146 2HB GLU 18 2HB GLU 18 10.270 16.663 -10.489 147 1HG GLU 18 1HG GLU 18 12.220 16.239 -11.822 148 2HG GLU 18 2HG GLU 18 11.256 15.386 -13.026 149 H LYS 19 H LYS 19 11.278 14.585 -8.253 150 HA LYS 19 HA LYS 19 8.863 13.811 -6.895 151 1HB LYS 19 1HB LYS 19 11.604 14.580 -5.922 152 2HB LYS 19 2HB LYS 19 10.284 14.173 -4.833 153 1HG LYS 19 1HG LYS 19 10.196 12.028 -6.420 154 2HG LYS 19 2HG LYS 19 11.904 12.438 -6.590 155 1HD LYS 19 1HD LYS 19 11.680 12.653 -3.936 156 2HD LYS 19 2HD LYS 19 10.402 11.471 -4.227 157 1HE LYS 19 1HE LYS 19 12.072 10.125 -5.525 158 2HE LYS 19 2HE LYS 19 13.314 11.246 -4.969 159 1HZ LYS 19 1HZ LYS 19 11.587 9.579 -3.221 160 2HZ LYS 19 2HZ LYS 19 13.212 9.275 -3.580 161 3HZ LYS 19 3HZ LYS 19 12.785 10.649 -2.690 162 H ASP 20 H ASP 20 7.338 15.104 -6.206 163 HA ASP 20 HA ASP 20 7.772 17.556 -4.881 164 1HB ASP 20 1HB ASP 20 8.213 18.132 -7.359 165 2HB ASP 20 2HB ASP 20 6.474 17.960 -7.569 166 HA PRO 21 HA PRO 21 7.278 17.106 -2.978 167 1HB PRO 21 1HB PRO 21 5.790 15.526 -1.078 168 2HB PRO 21 2HB PRO 21 6.107 17.260 -1.050 169 1HG PRO 21 1HG PRO 21 3.623 16.154 -1.427 170 2HG PRO 21 2HG PRO 21 4.092 17.768 -1.989 171 1HD PRO 21 1HD PRO 21 3.956 15.193 -3.519 172 2HD PRO 21 2HD PRO 21 3.438 16.822 -4.007 173 H GLU 22 H GLU 22 5.805 14.193 -4.202 174 HA GLU 22 HA GLU 22 8.280 12.740 -3.579 175 1HB GLU 22 1HB GLU 22 5.467 11.719 -3.157 176 2HB GLU 22 2HB GLU 22 6.900 10.700 -3.113 177 1HG GLU 22 1HG GLU 22 6.545 13.086 -1.326 178 2HG GLU 22 2HG GLU 22 6.000 11.469 -0.888 179 H LEU 23 H LEU 23 7.991 10.415 -4.770 180 HA LEU 23 HA LEU 23 8.238 10.944 -7.504 181 1HB LEU 23 1HB LEU 23 7.768 8.360 -6.024 182 2HB LEU 23 2HB LEU 23 8.086 8.434 -7.748 183 HG LEU 23 HG LEU 23 10.187 9.882 -6.794 184 1HD1 LEU 23 1HD1 LEU 23 9.464 7.853 -4.699 185 2HD1 LEU 23 2HD1 LEU 23 11.104 8.467 -4.910 186 3HD1 LEU 23 3HD1 LEU 23 9.796 9.572 -4.491 187 1HD2 LEU 23 1HD2 LEU 23 10.068 6.887 -7.147 188 2HD2 LEU 23 2HD2 LEU 23 10.352 8.080 -8.415 189 3HD2 LEU 23 3HD2 LEU 23 11.540 7.858 -7.130 190 H GLY 24 H GLY 24 5.650 9.007 -5.955 191 1HA GLY 24 1HA GLY 24 3.318 9.610 -6.409 192 2HA GLY 24 2HA GLY 24 3.810 10.015 -8.044 193 H PHE 25 H PHE 25 4.967 7.120 -6.417 194 HA PHE 25 HA PHE 25 2.943 5.406 -7.477 195 1HB PHE 25 1HB PHE 25 4.310 4.198 -9.106 196 2HB PHE 25 2HB PHE 25 4.143 5.889 -9.564 197 HD1 PHE 25 HD1 PHE 25 6.443 3.348 -8.238 198 HD2 PHE 25 HD2 PHE 25 6.031 7.338 -9.661 199 HE1 PHE 25 HE1 PHE 25 8.891 3.538 -8.404 200 HE2 PHE 25 HE2 PHE 25 8.478 7.534 -9.828 201 HZ PHE 25 HZ PHE 25 9.911 5.633 -9.200 202 H SER 26 H SER 26 3.121 3.264 -6.776 203 HA SER 26 HA SER 26 5.051 2.890 -4.596 204 1HB SER 26 1HB SER 26 3.366 0.882 -4.172 205 2HB SER 26 2HB SER 26 2.989 2.520 -3.641 206 HG SER 26 HG SER 26 2.178 1.432 -6.132 207 H ILE 27 H ILE 27 6.077 0.834 -4.300 208 HA ILE 27 HA ILE 27 6.323 -0.762 -6.770 209 HB ILE 27 HB ILE 27 8.703 -1.135 -6.216 210 1HG1 ILE 27 1HG1 ILE 27 8.501 1.153 -4.269 211 2HG1 ILE 27 2HG1 ILE 27 8.313 -0.516 -3.736 212 1HG2 ILE 27 1HG2 ILE 27 8.039 0.595 -7.819 213 2HG2 ILE 27 2HG2 ILE 27 7.969 1.775 -6.509 214 3HG2 ILE 27 3HG2 ILE 27 9.510 1.039 -6.951 215 1HD1 ILE 27 1HD1 ILE 27 10.706 0.274 -5.331 216 2HD1 ILE 27 2HD1 ILE 27 10.630 0.628 -3.605 217 3HD1 ILE 27 3HD1 ILE 27 10.512 -1.039 -4.168 218 H SER 28 H SER 28 6.838 -3.000 -6.473 219 HA SER 28 HA SER 28 6.612 -4.045 -3.751 220 1HB SER 28 1HB SER 28 4.855 -5.060 -5.994 221 2HB SER 28 2HB SER 28 4.830 -5.573 -4.307 222 HG SER 28 HG SER 28 3.816 -3.266 -5.487 223 H GLY 29 H GLY 29 7.016 -6.432 -3.686 224 1HA GLY 29 1HA GLY 29 7.976 -8.389 -4.632 225 2HA GLY 29 2HA GLY 29 8.623 -7.408 -5.936 226 H GLY 30 H GLY 30 10.732 -8.059 -5.764 227 1HA GLY 30 1HA GLY 30 12.866 -7.317 -4.973 228 2HA GLY 30 2HA GLY 30 12.151 -7.063 -3.388 229 H VAL 31 H VAL 31 14.549 -8.554 -4.096 230 HA VAL 31 HA VAL 31 13.910 -11.349 -3.817 231 HB VAL 31 HB VAL 31 16.610 -10.014 -3.546 232 1HG1 VAL 31 1HG1 VAL 31 15.817 -12.867 -4.115 233 2HG1 VAL 31 2HG1 VAL 31 17.463 -12.241 -4.221 234 3HG1 VAL 31 3HG1 VAL 31 16.624 -12.258 -2.670 235 1HG2 VAL 31 1HG2 VAL 31 14.967 -10.681 -5.915 236 2HG2 VAL 31 2HG2 VAL 31 16.177 -9.417 -5.691 237 3HG2 VAL 31 3HG2 VAL 31 16.684 -11.076 -6.003 238 H GLY 32 H GLY 32 12.924 -11.783 -1.901 239 1HA GLY 32 1HA GLY 32 13.265 -12.584 0.313 240 2HA GLY 32 2HA GLY 32 14.565 -11.423 0.502 241 H GLY 33 H GLY 33 12.157 -9.629 -0.877 242 1HA GLY 33 1HA GLY 33 11.479 -8.427 1.656 243 2HA GLY 33 2HA GLY 33 10.988 -7.868 0.066 244 H ARG 34 H ARG 34 8.867 -7.506 0.750 245 HA ARG 34 HA ARG 34 7.333 -9.742 1.778 246 1HB ARG 34 1HB ARG 34 5.403 -7.987 1.591 247 2HB ARG 34 2HB ARG 34 6.607 -7.833 2.857 248 1HG ARG 34 1HG ARG 34 7.746 -6.103 1.613 249 2HG ARG 34 2HG ARG 34 6.643 -6.316 0.253 250 1HD ARG 34 1HD ARG 34 4.904 -5.288 1.337 251 2HD ARG 34 2HD ARG 34 5.507 -5.714 2.937 252 HE ARG 34 HE ARG 34 6.047 -3.326 1.490 253 1HH1 ARG 34 1HH1 ARG 34 7.507 -5.570 3.767 254 2HH1 ARG 34 2HH1 ARG 34 8.580 -4.380 4.424 255 1HH2 ARG 34 1HH2 ARG 34 7.462 -1.788 2.371 256 2HH2 ARG 34 2HH2 ARG 34 8.555 -2.243 3.635 257 H GLY 35 H GLY 35 8.352 -9.382 -1.208 258 1HA GLY 35 1HA GLY 35 7.598 -9.947 -3.294 259 2HA GLY 35 2HA GLY 35 6.523 -11.023 -2.424 260 H ASN 36 H ASN 36 5.351 -10.503 -4.515 261 HA ASN 36 HA ASN 36 3.378 -8.421 -3.941 262 1HB ASN 36 1HB ASN 36 3.404 -7.686 -6.316 263 2HB ASN 36 2HB ASN 36 4.918 -7.341 -5.483 264 1HD2 ASN 36 2HD2 ASN 36 6.658 -7.779 -6.610 265 2HD2 ASN 36 1HD2 ASN 36 6.810 -8.996 -7.827 266 HA PRO 37 HA PRO 37 0.709 -11.621 -5.522 267 1HB PRO 37 1HB PRO 37 -1.587 -10.331 -5.844 268 2HB PRO 37 2HB PRO 37 -0.826 -10.434 -4.253 269 1HG PRO 37 1HG PRO 37 -0.950 -8.142 -6.149 270 2HG PRO 37 2HG PRO 37 -0.963 -8.139 -4.378 271 1HD PRO 37 1HD PRO 37 1.268 -7.687 -6.064 272 2HD PRO 37 2HD PRO 37 1.293 -7.915 -4.305 273 H PHE 38 H PHE 38 2.276 -10.039 -7.672 274 HA PHE 38 HA PHE 38 0.393 -10.351 -9.911 275 1HB PHE 38 1HB PHE 38 3.019 -8.882 -9.681 276 2HB PHE 38 2HB PHE 38 2.179 -9.118 -11.210 277 HD1 PHE 38 HD1 PHE 38 2.050 -7.464 -7.936 278 HD2 PHE 38 HD2 PHE 38 0.221 -7.865 -11.758 279 HE1 PHE 38 HE1 PHE 38 0.701 -5.453 -7.498 280 HE2 PHE 38 HE2 PHE 38 -1.130 -5.852 -11.327 281 HZ PHE 38 HZ PHE 38 -0.890 -4.645 -9.195 282 H ARG 39 H ARG 39 3.664 -11.265 -8.873 283 HA ARG 39 HA ARG 39 3.564 -13.494 -10.807 284 1HB ARG 39 1HB ARG 39 5.976 -11.879 -9.953 285 2HB ARG 39 2HB ARG 39 6.044 -13.328 -10.950 286 1HG ARG 39 1HG ARG 39 4.228 -11.236 -11.929 287 2HG ARG 39 2HG ARG 39 5.936 -10.797 -11.910 288 1HD ARG 39 1HD ARG 39 5.876 -11.766 -13.959 289 2HD ARG 39 2HD ARG 39 6.146 -13.222 -13.005 290 HE ARG 39 HE ARG 39 3.366 -12.588 -13.409 291 1HH1 ARG 39 1HH1 ARG 39 6.146 -14.265 -14.759 292 2HH1 ARG 39 2HH1 ARG 39 5.177 -15.347 -15.703 293 1HH2 ARG 39 1HH2 ARG 39 2.121 -14.019 -14.658 294 2HH2 ARG 39 2HH2 ARG 39 2.904 -15.207 -15.645 295 HA PRO 40 HA PRO 40 4.196 -15.837 -7.056 296 1HB PRO 40 1HB PRO 40 4.192 -18.316 -8.051 297 2HB PRO 40 2HB PRO 40 2.733 -17.322 -8.043 298 1HG PRO 40 1HG PRO 40 4.577 -17.964 -10.294 299 2HG PRO 40 2HG PRO 40 2.816 -17.777 -10.302 300 1HD PRO 40 1HD PRO 40 4.670 -15.838 -11.084 301 2HD PRO 40 2HD PRO 40 2.964 -15.544 -10.694 302 H ASP 41 H ASP 41 6.203 -16.860 -9.835 303 HA ASP 41 HA ASP 41 8.334 -17.625 -7.985 304 1HB ASP 41 1HB ASP 41 9.395 -18.601 -10.031 305 2HB ASP 41 2HB ASP 41 7.820 -19.284 -9.639 306 H ASP 42 H ASP 42 7.522 -14.910 -9.887 307 HA ASP 42 HA ASP 42 10.303 -14.145 -10.345 308 1HB ASP 42 1HB ASP 42 8.270 -13.757 -11.970 309 2HB ASP 42 2HB ASP 42 7.987 -12.345 -10.955 310 H ASP 43 H ASP 43 11.408 -13.009 -8.899 311 HA ASP 43 HA ASP 43 9.903 -11.488 -6.860 312 1HB ASP 43 1HB ASP 43 11.951 -11.775 -5.450 313 2HB ASP 43 2HB ASP 43 11.147 -13.286 -5.863 314 H GLY 44 H GLY 44 10.226 -10.166 -9.209 315 1HA GLY 44 1HA GLY 44 12.587 -8.445 -8.952 316 2HA GLY 44 2HA GLY 44 11.466 -8.467 -10.307 317 H ILE 45 H ILE 45 11.526 -6.069 -10.027 318 HA ILE 45 HA ILE 45 9.786 -5.187 -7.807 319 HB ILE 45 HB ILE 45 11.522 -3.345 -9.446 320 1HG1 ILE 45 1HG1 ILE 45 13.007 -5.007 -8.394 321 2HG1 ILE 45 2HG1 ILE 45 13.203 -3.418 -7.659 322 1HG2 ILE 45 1HG2 ILE 45 10.242 -3.102 -6.731 323 2HG2 ILE 45 2HG2 ILE 45 11.283 -1.888 -7.476 324 3HG2 ILE 45 3HG2 ILE 45 9.733 -2.295 -8.214 325 1HD1 ILE 45 1HD1 ILE 45 11.485 -5.589 -6.499 326 2HD1 ILE 45 2HD1 ILE 45 13.172 -5.323 -6.062 327 3HD1 ILE 45 3HD1 ILE 45 11.971 -4.074 -5.739 328 H PHE 46 H PHE 46 7.774 -4.528 -8.354 329 HA PHE 46 HA PHE 46 7.312 -3.605 -11.121 330 1HB PHE 46 1HB PHE 46 5.322 -5.197 -9.502 331 2HB PHE 46 2HB PHE 46 5.224 -4.773 -11.206 332 HD1 PHE 46 HD1 PHE 46 7.230 -6.747 -8.778 333 HD2 PHE 46 HD2 PHE 46 6.020 -6.237 -12.827 334 HE1 PHE 46 HE1 PHE 46 8.301 -8.884 -9.364 335 HE2 PHE 46 HE2 PHE 46 7.091 -8.369 -13.420 336 HZ PHE 46 HZ PHE 46 8.233 -9.696 -11.688 337 H VAL 47 H VAL 47 5.808 -1.944 -11.401 338 HA VAL 47 HA VAL 47 5.316 -0.344 -9.013 339 HB VAL 47 HB VAL 47 4.751 0.392 -11.891 340 1HG1 VAL 47 1HG1 VAL 47 5.046 2.075 -9.404 341 2HG1 VAL 47 2HG1 VAL 47 4.840 2.699 -11.040 342 3HG1 VAL 47 3HG1 VAL 47 3.551 1.761 -10.286 343 1HG2 VAL 47 1HG2 VAL 47 7.171 -0.200 -11.330 344 2HG2 VAL 47 2HG2 VAL 47 6.874 1.382 -12.052 345 3HG2 VAL 47 3HG2 VAL 47 7.164 1.244 -10.318 346 H THR 48 H THR 48 3.719 -1.881 -8.220 347 HA THR 48 HA THR 48 1.456 -2.884 -9.144 348 HB THR 48 HB THR 48 1.985 -3.096 -6.835 349 HG1 THR 48 HG1 THR 48 -0.183 -3.369 -7.176 350 1HG2 THR 48 1HG2 THR 48 0.984 -0.428 -6.062 351 2HG2 THR 48 2HG2 THR 48 2.186 -1.462 -5.290 352 3HG2 THR 48 3HG2 THR 48 2.618 -0.519 -6.717 353 H ARG 49 H ARG 49 1.400 0.579 -8.068 354 HA ARG 49 HA ARG 49 -0.512 1.187 -10.136 355 1HB ARG 49 1HB ARG 49 -2.311 1.926 -8.629 356 2HB ARG 49 2HB ARG 49 -2.014 0.197 -8.508 357 1HG ARG 49 1HG ARG 49 -0.458 0.926 -6.522 358 2HG ARG 49 2HG ARG 49 -1.484 2.359 -6.531 359 1HD ARG 49 1HD ARG 49 -3.222 0.144 -6.702 360 2HD ARG 49 2HD ARG 49 -2.023 -0.261 -5.476 361 HE ARG 49 HE ARG 49 -3.152 2.376 -5.198 362 1HH1 ARG 49 1HH1 ARG 49 -3.515 -1.010 -4.330 363 2HH1 ARG 49 2HH1 ARG 49 -4.469 -0.666 -2.927 364 1HH2 ARG 49 1HH2 ARG 49 -4.406 2.799 -3.353 365 2HH2 ARG 49 2HH2 ARG 49 -4.972 1.486 -2.376 366 H VAL 50 H VAL 50 -1.415 3.485 -9.805 367 HA VAL 50 HA VAL 50 0.696 5.240 -8.720 368 HB VAL 50 HB VAL 50 -0.935 5.826 -11.198 369 1HG1 VAL 50 1HG1 VAL 50 0.089 7.704 -9.793 370 2HG1 VAL 50 2HG1 VAL 50 1.645 7.116 -10.379 371 3HG1 VAL 50 3HG1 VAL 50 0.433 7.691 -11.521 372 1HG2 VAL 50 1HG2 VAL 50 0.561 3.868 -11.527 373 2HG2 VAL 50 2HG2 VAL 50 0.973 5.251 -12.539 374 3HG2 VAL 50 3HG2 VAL 50 1.932 4.893 -11.102 375 H GLN 51 H GLN 51 -0.007 7.173 -7.725 376 HA GLN 51 HA GLN 51 -2.882 7.222 -7.111 377 1HB GLN 51 1HB GLN 51 -0.440 7.974 -5.599 378 2HB GLN 51 2HB GLN 51 -1.893 8.918 -5.295 379 1HG GLN 51 1HG GLN 51 -2.440 6.074 -5.307 380 2HG GLN 51 2HG GLN 51 -1.196 6.498 -4.135 381 1HE2 GLN 51 2HE2 GLN 51 -2.042 6.709 -2.199 382 2HE2 GLN 51 1HE2 GLN 51 -3.551 7.459 -1.817 383 HA PRO 52 HA PRO 52 -2.374 11.761 -8.293 384 1HB PRO 52 1HB PRO 52 -0.053 13.042 -8.410 385 2HB PRO 52 2HB PRO 52 -0.768 12.635 -6.843 386 1HG PRO 52 1HG PRO 52 1.401 11.218 -8.355 387 2HG PRO 52 2HG PRO 52 1.345 11.659 -6.638 388 1HD PRO 52 1HD PRO 52 0.708 9.165 -7.587 389 2HD PRO 52 2HD PRO 52 0.047 9.854 -6.091 390 H GLU 53 H GLU 53 -2.946 11.929 -10.379 391 HA GLU 53 HA GLU 53 -1.347 10.752 -12.463 392 1HB GLU 53 1HB GLU 53 -4.010 12.114 -12.347 393 2HB GLU 53 2HB GLU 53 -3.221 11.886 -13.902 394 1HG GLU 53 1HG GLU 53 -3.143 9.493 -13.547 395 2HG GLU 53 2HG GLU 53 -3.854 9.689 -11.945 396 H GLY 54 H GLY 54 0.471 12.271 -11.758 397 1HA GLY 54 1HA GLY 54 0.462 14.565 -13.588 398 2HA GLY 54 2HA GLY 54 0.898 14.832 -11.909 399 HA PRO 55 HA PRO 55 5.116 13.830 -12.714 400 1HB PRO 55 1HB PRO 55 5.816 11.921 -10.864 401 2HB PRO 55 2HB PRO 55 5.678 13.645 -10.515 402 1HG PRO 55 1HG PRO 55 3.723 11.447 -10.002 403 2HG PRO 55 2HG PRO 55 4.158 12.825 -8.976 404 1HD PRO 55 1HD PRO 55 1.893 12.785 -10.427 405 2HD PRO 55 2HD PRO 55 2.799 14.284 -10.139 406 H ALA 56 H ALA 56 3.701 10.646 -11.845 407 HA ALA 56 HA ALA 56 4.900 9.560 -14.315 408 1HB ALA 56 1HB ALA 56 4.700 8.420 -11.554 409 2HB ALA 56 2HB ALA 56 4.844 7.357 -12.956 410 3HB ALA 56 3HB ALA 56 6.105 8.539 -12.615 411 H SER 57 H SER 57 2.441 10.647 -14.575 412 HA SER 57 HA SER 57 0.362 8.690 -14.166 413 1HB SER 57 1HB SER 57 -1.108 10.286 -15.210 414 2HB SER 57 2HB SER 57 -0.032 11.163 -14.126 415 HG SER 57 HG SER 57 -0.230 11.252 -16.874 416 H LYS 58 H LYS 58 1.732 10.205 -17.092 417 HA LYS 58 HA LYS 58 0.799 7.914 -18.653 418 1HB LYS 58 1HB LYS 58 1.650 10.705 -19.330 419 2HB LYS 58 2HB LYS 58 1.657 9.462 -20.577 420 1HG LYS 58 1HG LYS 58 -0.578 9.440 -20.749 421 2HG LYS 58 2HG LYS 58 -0.815 9.566 -19.007 422 1HD LYS 58 1HD LYS 58 -0.339 11.974 -19.128 423 2HD LYS 58 2HD LYS 58 -0.124 11.837 -20.874 424 1HE LYS 58 1HE LYS 58 -2.363 11.551 -21.266 425 2HE LYS 58 2HE LYS 58 -2.661 10.848 -19.677 426 1HZ LYS 58 1HZ LYS 58 -1.987 13.707 -20.074 427 2HZ LYS 58 2HZ LYS 58 -3.578 13.134 -20.039 428 3HZ LYS 58 3HZ LYS 58 -2.589 12.971 -18.676 429 H LEU 59 H LEU 59 3.491 8.317 -16.911 430 HA LEU 59 HA LEU 59 5.426 7.645 -18.980 431 1HB LEU 59 1HB LEU 59 5.783 8.003 -16.004 432 2HB LEU 59 2HB LEU 59 7.078 7.767 -17.165 433 HG LEU 59 HG LEU 59 5.192 10.127 -17.154 434 1HD1 LEU 59 1HD1 LEU 59 6.760 9.980 -15.196 435 2HD1 LEU 59 2HD1 LEU 59 8.090 10.080 -16.352 436 3HD1 LEU 59 3HD1 LEU 59 6.944 11.413 -16.209 437 1HD2 LEU 59 1HD2 LEU 59 6.093 9.528 -19.366 438 2HD2 LEU 59 2HD2 LEU 59 6.709 11.076 -18.785 439 3HD2 LEU 59 3HD2 LEU 59 7.728 9.639 -18.711 440 H LEU 60 H LEU 60 4.660 6.280 -15.770 441 HA LEU 60 HA LEU 60 5.475 3.648 -16.755 442 1HB LEU 60 1HB LEU 60 4.871 4.622 -13.963 443 2HB LEU 60 2HB LEU 60 5.379 2.992 -14.364 444 HG LEU 60 HG LEU 60 7.262 4.878 -15.479 445 1HD1 LEU 60 1HD1 LEU 60 6.676 5.210 -12.543 446 2HD1 LEU 60 2HD1 LEU 60 8.188 5.705 -13.308 447 3HD1 LEU 60 3HD1 LEU 60 6.666 6.453 -13.795 448 1HD2 LEU 60 1HD2 LEU 60 7.520 2.410 -14.792 449 2HD2 LEU 60 2HD2 LEU 60 8.868 3.507 -14.491 450 3HD2 LEU 60 3HD2 LEU 60 7.798 3.042 -13.169 451 H GLN 61 H GLN 61 4.179 1.816 -16.590 452 HA GLN 61 HA GLN 61 1.297 2.342 -16.224 453 1HB GLN 61 1HB GLN 61 1.221 0.053 -17.636 454 2HB GLN 61 2HB GLN 61 1.210 1.634 -18.393 455 1HG GLN 61 1HG GLN 61 2.746 0.358 -19.616 456 2HG GLN 61 2HG GLN 61 3.728 1.404 -18.592 457 1HE2 GLN 61 2HE2 GLN 61 5.477 -0.017 -18.803 458 2HE2 GLN 61 1HE2 GLN 61 5.539 -1.511 -17.936 459 HA PRO 62 HA PRO 62 1.341 -0.287 -12.658 460 1HB PRO 62 1HB PRO 62 -1.225 -1.376 -13.700 461 2HB PRO 62 2HB PRO 62 -0.841 -0.727 -12.102 462 1HG PRO 62 1HG PRO 62 -2.253 0.706 -13.841 463 2HG PRO 62 2HG PRO 62 -1.036 1.475 -12.804 464 1HD PRO 62 1HD PRO 62 -0.899 0.788 -15.704 465 2HD PRO 62 2HD PRO 62 -0.221 2.182 -14.840 466 H GLY 63 H GLY 63 2.215 -2.200 -12.205 467 1HA GLY 63 1HA GLY 63 2.677 -4.468 -12.358 468 2HA GLY 63 2HA GLY 63 1.640 -4.552 -13.771 469 H ASP 64 H ASP 64 4.205 -2.200 -13.653 470 HA ASP 64 HA ASP 64 5.465 -3.484 -15.927 471 1HB ASP 64 1HB ASP 64 6.770 -1.414 -16.092 472 2HB ASP 64 2HB ASP 64 5.055 -1.057 -15.933 473 H LYS 65 H LYS 65 8.099 -2.848 -15.696 474 HA LYS 65 HA LYS 65 9.057 -4.041 -13.198 475 1HB LYS 65 1HB LYS 65 8.806 -5.863 -14.860 476 2HB LYS 65 2HB LYS 65 9.891 -5.002 -15.940 477 1HG LYS 65 1HG LYS 65 11.736 -5.325 -14.504 478 2HG LYS 65 2HG LYS 65 10.701 -5.855 -13.176 479 1HD LYS 65 1HD LYS 65 10.105 -7.862 -14.414 480 2HD LYS 65 2HD LYS 65 11.073 -7.322 -15.788 481 1HE LYS 65 1HE LYS 65 12.286 -8.978 -14.490 482 2HE LYS 65 2HE LYS 65 13.087 -7.411 -14.395 483 1HZ LYS 65 1HZ LYS 65 11.167 -8.246 -12.317 484 2HZ LYS 65 2HZ LYS 65 12.776 -8.763 -12.257 485 3HZ LYS 65 3HZ LYS 65 12.417 -7.111 -12.214 486 H ILE 66 H ILE 66 10.645 -2.859 -12.378 487 HA ILE 66 HA ILE 66 11.969 -0.871 -14.043 488 HB ILE 66 HB ILE 66 12.247 -1.328 -11.061 489 1HG1 ILE 66 1HG1 ILE 66 10.464 0.614 -12.554 490 2HG1 ILE 66 2HG1 ILE 66 9.912 -0.845 -11.738 491 1HG2 ILE 66 1HG2 ILE 66 13.038 0.954 -12.868 492 2HG2 ILE 66 2HG2 ILE 66 12.965 1.085 -11.111 493 3HG2 ILE 66 3HG2 ILE 66 14.089 -0.046 -11.866 494 1HD1 ILE 66 1HD1 ILE 66 11.294 1.440 -10.357 495 2HD1 ILE 66 2HD1 ILE 66 9.545 1.243 -10.460 496 3HD1 ILE 66 3HD1 ILE 66 10.517 0.046 -9.606 497 H ILE 67 H ILE 67 13.901 -1.222 -14.952 498 HA ILE 67 HA ILE 67 15.453 -3.539 -14.092 499 HB ILE 67 HB ILE 67 16.009 -1.806 -16.495 500 1HG1 ILE 67 1HG1 ILE 67 13.704 -2.626 -16.674 501 2HG1 ILE 67 2HG1 ILE 67 14.745 -3.446 -17.834 502 1HG2 ILE 67 1HG2 ILE 67 16.755 -4.639 -15.784 503 2HG2 ILE 67 2HG2 ILE 67 17.092 -3.865 -17.332 504 3HG2 ILE 67 3HG2 ILE 67 17.834 -3.245 -15.857 505 1HD1 ILE 67 1HD1 ILE 67 14.215 -4.691 -15.176 506 2HD1 ILE 67 2HD1 ILE 67 13.015 -4.799 -16.465 507 3HD1 ILE 67 3HD1 ILE 67 14.636 -5.451 -16.711 508 H GLN 68 H GLN 68 15.937 -0.034 -14.644 509 HA GLN 68 HA GLN 68 18.188 -0.141 -12.783 510 1HB GLN 68 1HB GLN 68 18.362 0.658 -15.666 511 2HB GLN 68 2HB GLN 68 19.416 1.422 -14.484 512 1HG GLN 68 1HG GLN 68 20.459 -0.614 -13.943 513 2HG GLN 68 2HG GLN 68 19.213 -1.558 -14.759 514 1HE2 GLN 68 2HE2 GLN 68 21.122 1.260 -15.750 515 2HE2 GLN 68 1HE2 GLN 68 21.776 0.534 -17.175 516 H ALA 69 H ALA 69 18.737 1.830 -11.828 517 HA ALA 69 HA ALA 69 16.994 4.122 -12.388 518 1HB ALA 69 1HB ALA 69 16.110 2.712 -10.473 519 2HB ALA 69 2HB ALA 69 17.539 3.218 -9.573 520 3HB ALA 69 3HB ALA 69 16.378 4.421 -10.130 521 H ASN 70 H ASN 70 18.222 5.851 -12.738 522 HA ASN 70 HA ASN 70 20.083 7.191 -12.897 523 1HB ASN 70 1HB ASN 70 19.571 6.794 -9.973 524 2HB ASN 70 2HB ASN 70 20.890 7.832 -10.509 525 1HD2 ASN 70 2HD2 ASN 70 18.752 8.791 -9.045 526 2HD2 ASN 70 1HD2 ASN 70 17.820 9.856 -10.035 527 H GLY 71 H GLY 71 20.816 4.379 -13.182 528 1HA GLY 71 1HA GLY 71 22.989 3.589 -13.717 529 2HA GLY 71 2HA GLY 71 23.652 4.661 -12.497 530 H TYR 72 H TYR 72 21.007 3.064 -11.141 531 HA TYR 72 HA TYR 72 22.797 1.054 -9.946 532 1HB TYR 72 1HB TYR 72 20.607 2.749 -8.852 533 2HB TYR 72 2HB TYR 72 20.755 1.120 -8.202 534 HD1 TYR 72 HD1 TYR 72 23.055 0.427 -7.281 535 HD2 TYR 72 HD2 TYR 72 21.967 4.469 -8.050 536 HE1 TYR 72 HE1 TYR 72 24.839 1.189 -5.769 537 HE2 TYR 72 HE2 TYR 72 23.750 5.241 -6.541 538 HH TYR 72 HH TYR 72 26.240 3.324 -5.501 539 H SER 73 H SER 73 22.400 -1.016 -10.403 540 HA SER 73 HA SER 73 20.161 -1.775 -12.008 541 1HB SER 73 1HB SER 73 21.083 -4.086 -11.737 542 2HB SER 73 2HB SER 73 22.273 -2.919 -12.314 543 HG SER 73 HG SER 73 21.984 -3.948 -9.690 544 H PHE 74 H PHE 74 18.319 -2.878 -11.448 545 HA PHE 74 HA PHE 74 17.807 -3.145 -8.557 546 1HB PHE 74 1HB PHE 74 16.114 -2.325 -10.867 547 2HB PHE 74 2HB PHE 74 15.332 -3.167 -9.533 548 HD1 PHE 74 HD1 PHE 74 18.040 -0.601 -9.666 549 HD2 PHE 74 HD2 PHE 74 14.162 -1.657 -8.264 550 HE1 PHE 74 HE1 PHE 74 17.922 1.511 -8.408 551 HE2 PHE 74 HE2 PHE 74 14.038 0.453 -7.005 552 HZ PHE 74 HZ PHE 74 15.919 2.040 -7.077 553 H ILE 75 H ILE 75 18.982 -5.209 -10.532 554 HA ILE 75 HA ILE 75 16.900 -7.265 -10.340 555 HB ILE 75 HB ILE 75 19.557 -7.558 -11.738 556 1HG1 ILE 75 1HG1 ILE 75 18.399 -5.641 -12.733 557 2HG1 ILE 75 2HG1 ILE 75 18.380 -7.011 -13.838 558 1HG2 ILE 75 1HG2 ILE 75 18.209 -9.585 -11.149 559 2HG2 ILE 75 2HG2 ILE 75 16.946 -8.977 -12.219 560 3HG2 ILE 75 3HG2 ILE 75 18.532 -9.387 -12.871 561 1HD1 ILE 75 1HD1 ILE 75 16.054 -7.469 -12.721 562 2HD1 ILE 75 2HD1 ILE 75 16.148 -5.750 -12.341 563 3HD1 ILE 75 3HD1 ILE 75 16.226 -6.288 -14.018 564 H ASN 76 H ASN 76 17.120 -9.097 -9.153 565 HA ASN 76 HA ASN 76 17.846 -10.523 -7.540 566 1HB ASN 76 1HB ASN 76 20.559 -9.544 -8.434 567 2HB ASN 76 2HB ASN 76 20.320 -10.851 -7.281 568 1HD2 ASN 76 2HD2 ASN 76 19.448 -12.807 -7.987 569 2HD2 ASN 76 1HD2 ASN 76 19.424 -13.240 -9.659 570 H ILE 77 H ILE 77 17.669 -7.379 -7.038 571 HA ILE 77 HA ILE 77 19.246 -7.231 -4.602 572 HB ILE 77 HB ILE 77 18.533 -4.877 -4.500 573 1HG1 ILE 77 1HG1 ILE 77 17.267 -5.268 -7.204 574 2HG1 ILE 77 2HG1 ILE 77 16.325 -5.373 -5.720 575 1HG2 ILE 77 1HG2 ILE 77 20.547 -5.625 -5.753 576 2HG2 ILE 77 2HG2 ILE 77 19.578 -5.619 -7.226 577 3HG2 ILE 77 3HG2 ILE 77 19.856 -4.115 -6.347 578 1HD1 ILE 77 1HD1 ILE 77 17.989 -2.979 -6.432 579 2HD1 ILE 77 2HD1 ILE 77 16.294 -3.154 -6.890 580 3HD1 ILE 77 3HD1 ILE 77 16.748 -3.113 -5.186 581 H GLU 78 H GLU 78 18.354 -6.451 -2.617 582 HA GLU 78 HA GLU 78 15.879 -7.786 -1.952 583 1HB GLU 78 1HB GLU 78 17.777 -6.178 -0.234 584 2HB GLU 78 2HB GLU 78 16.401 -7.096 0.366 585 1HG GLU 78 1HG GLU 78 17.752 -8.967 -1.102 586 2HG GLU 78 2HG GLU 78 19.061 -7.999 -0.429 587 H HIS 79 H HIS 79 14.029 -6.802 -1.074 588 HA HIS 79 HA HIS 79 12.989 -4.608 -2.326 589 1HB HIS 79 1HB HIS 79 11.764 -6.305 -0.924 590 2HB HIS 79 2HB HIS 79 12.257 -5.385 0.493 591 HD1 HIS 79 HD1 HIS 79 10.010 -5.201 -2.506 592 HD2 HIS 79 HD2 HIS 79 10.833 -3.038 0.946 593 HE1 HIS 79 HE1 HIS 79 8.184 -3.480 -2.338 594 HE2 HIS 79 HE2 HIS 79 8.741 -2.139 -0.279 595 H GLY 80 H GLY 80 14.455 -4.560 0.938 596 1HA GLY 80 1HA GLY 80 14.066 -1.849 1.494 597 2HA GLY 80 2HA GLY 80 15.350 -2.842 2.166 598 H GLN 81 H GLN 81 16.415 -3.364 -0.596 599 HA GLN 81 HA GLN 81 18.193 -1.118 -0.687 600 1HB GLN 81 1HB GLN 81 18.453 -3.738 -1.343 601 2HB GLN 81 2HB GLN 81 18.199 -3.044 -2.939 602 1HG GLN 81 1HG GLN 81 20.205 -1.822 -1.104 603 2HG GLN 81 2HG GLN 81 20.601 -3.302 -1.976 604 1HE2 GLN 81 2HE2 GLN 81 20.523 -3.259 -4.286 605 2HE2 GLN 81 1HE2 GLN 81 20.788 -1.778 -5.136 606 H ALA 82 H ALA 82 15.610 -2.383 -2.752 607 HA ALA 82 HA ALA 82 15.924 -0.480 -4.828 608 1HB ALA 82 1HB ALA 82 13.544 -2.164 -4.066 609 2HB ALA 82 2HB ALA 82 13.694 -1.242 -5.562 610 3HB ALA 82 3HB ALA 82 14.799 -2.576 -5.232 611 H VAL 83 H VAL 83 13.899 -0.569 -1.927 612 HA VAL 83 HA VAL 83 12.441 1.799 -2.579 613 HB VAL 83 HB VAL 83 12.816 0.579 0.161 614 1HG1 VAL 83 1HG1 VAL 83 11.878 2.856 0.138 615 2HG1 VAL 83 2HG1 VAL 83 10.595 2.302 -0.938 616 3HG1 VAL 83 3HG1 VAL 83 10.710 1.661 0.701 617 1HG2 VAL 83 1HG2 VAL 83 11.947 -0.962 -1.704 618 2HG2 VAL 83 2HG2 VAL 83 11.006 -0.847 -0.217 619 3HG2 VAL 83 3HG2 VAL 83 10.493 0.034 -1.655 620 H SER 84 H SER 84 15.240 1.095 -0.522 621 HA SER 84 HA SER 84 15.559 3.645 0.589 622 1HB SER 84 1HB SER 84 16.727 1.639 1.423 623 2HB SER 84 2HB SER 84 17.706 1.605 -0.045 624 HG SER 84 HG SER 84 18.859 3.245 0.667 625 H LEU 85 H LEU 85 16.784 2.274 -2.433 626 HA LEU 85 HA LEU 85 18.455 4.460 -3.120 627 1HB LEU 85 1HB LEU 85 17.192 2.249 -4.723 628 2HB LEU 85 2HB LEU 85 18.185 3.486 -5.474 629 HG LEU 85 HG LEU 85 19.100 1.581 -3.315 630 1HD1 LEU 85 1HD1 LEU 85 19.529 1.644 -6.292 631 2HD1 LEU 85 2HD1 LEU 85 20.549 0.723 -5.187 632 3HD1 LEU 85 3HD1 LEU 85 18.832 0.349 -5.319 633 1HD2 LEU 85 1HD2 LEU 85 20.538 3.737 -4.852 634 2HD2 LEU 85 2HD2 LEU 85 20.294 3.639 -3.107 635 3HD2 LEU 85 3HD2 LEU 85 21.351 2.482 -3.918 636 H LEU 86 H LEU 86 15.120 3.616 -3.971 637 HA LEU 86 HA LEU 86 14.712 5.771 -5.750 638 1HB LEU 86 1HB LEU 86 12.945 3.867 -4.288 639 2HB LEU 86 2HB LEU 86 12.215 5.266 -5.056 640 HG LEU 86 HG LEU 86 13.950 3.268 -6.504 641 1HD1 LEU 86 1HD1 LEU 86 10.948 3.482 -6.345 642 2HD1 LEU 86 2HD1 LEU 86 11.830 2.470 -7.488 643 3HD1 LEU 86 3HD1 LEU 86 11.949 2.153 -5.758 644 1HD2 LEU 86 1HD2 LEU 86 12.215 5.550 -7.436 645 2HD2 LEU 86 2HD2 LEU 86 13.967 5.406 -7.584 646 3HD2 LEU 86 3HD2 LEU 86 12.914 4.331 -8.502 647 H LYS 87 H LYS 87 14.182 5.456 -2.271 648 HA LYS 87 HA LYS 87 12.822 7.948 -2.010 649 1HB LYS 87 1HB LYS 87 14.089 6.056 -0.048 650 2HB LYS 87 2HB LYS 87 13.405 7.593 0.465 651 1HG LYS 87 1HG LYS 87 11.240 6.929 -0.487 652 2HG LYS 87 2HG LYS 87 11.936 5.372 -0.940 653 1HD LYS 87 1HD LYS 87 12.262 4.761 1.332 654 2HD LYS 87 2HD LYS 87 11.908 6.397 1.890 655 1HE LYS 87 1HE LYS 87 9.864 4.817 0.376 656 2HE LYS 87 2HE LYS 87 10.088 4.572 2.107 657 1HZ LYS 87 1HZ LYS 87 9.535 7.212 0.869 658 2HZ LYS 87 2HZ LYS 87 8.342 6.211 1.529 659 3HZ LYS 87 3HZ LYS 87 9.558 6.844 2.520 660 H THR 88 H THR 88 16.216 6.973 -1.628 661 HA THR 88 HA THR 88 17.058 9.428 -0.487 662 HB THR 88 HB THR 88 18.343 7.361 -0.218 663 HG1 THR 88 HG1 THR 88 20.241 8.367 -0.286 664 1HG2 THR 88 1HG2 THR 88 19.751 6.504 -1.991 665 2HG2 THR 88 2HG2 THR 88 18.051 6.383 -2.439 666 3HG2 THR 88 3HG2 THR 88 19.055 7.658 -3.128 667 H PHE 89 H PHE 89 16.518 8.444 -3.798 668 HA PHE 89 HA PHE 89 18.222 10.146 -5.172 669 1HB PHE 89 1HB PHE 89 15.445 9.186 -5.866 670 2HB PHE 89 2HB PHE 89 16.422 10.131 -6.980 671 HD1 PHE 89 HD1 PHE 89 19.131 8.815 -6.324 672 HD2 PHE 89 HD2 PHE 89 15.258 7.216 -7.097 673 HE1 PHE 89 HE1 PHE 89 20.151 6.734 -7.142 674 HE2 PHE 89 HE2 PHE 89 16.281 5.135 -7.913 675 HZ PHE 89 HZ PHE 89 18.728 4.892 -7.935 676 H GLN 90 H GLN 90 18.206 12.222 -5.839 677 HA GLN 90 HA GLN 90 17.006 14.136 -4.184 678 1HB GLN 90 1HB GLN 90 18.365 14.474 -6.865 679 2HB GLN 90 2HB GLN 90 18.029 15.778 -5.732 680 1HG GLN 90 1HG GLN 90 19.516 13.491 -4.632 681 2HG GLN 90 2HG GLN 90 20.362 14.438 -5.855 682 1HE2 GLN 90 2HE2 GLN 90 18.389 14.896 -2.939 683 2HE2 GLN 90 1HE2 GLN 90 19.319 16.206 -2.308 684 H ASN 91 H ASN 91 16.395 15.844 -6.969 685 HA ASN 91 HA ASN 91 13.562 15.538 -6.609 686 1HB ASN 91 1HB ASN 91 15.147 17.328 -8.455 687 2HB ASN 91 2HB ASN 91 13.408 17.426 -8.199 688 1HD2 ASN 91 2HD2 ASN 91 12.634 18.452 -6.435 689 2HD2 ASN 91 1HD2 ASN 91 13.622 19.233 -5.252 690 H THR 92 H THR 92 15.391 15.746 -9.682 691 HA THR 92 HA THR 92 13.348 14.283 -11.054 692 HB THR 92 HB THR 92 15.941 14.534 -12.437 693 HG1 THR 92 HG1 THR 92 14.588 16.863 -11.555 694 1HG2 THR 92 1HG2 THR 92 13.587 16.044 -13.341 695 2HG2 THR 92 2HG2 THR 92 14.681 14.992 -14.240 696 3HG2 THR 92 3HG2 THR 92 13.393 14.294 -13.257 697 H VAL 93 H VAL 93 13.138 12.163 -11.220 698 HA VAL 93 HA VAL 93 15.451 10.453 -10.577 699 HB VAL 93 HB VAL 93 12.548 9.618 -10.516 700 1HG1 VAL 93 1HG1 VAL 93 14.286 7.854 -10.748 701 2HG1 VAL 93 2HG1 VAL 93 14.967 8.383 -9.210 702 3HG1 VAL 93 3HG1 VAL 93 13.333 7.723 -9.270 703 1HG2 VAL 93 1HG2 VAL 93 12.939 11.436 -8.893 704 2HG2 VAL 93 2HG2 VAL 93 12.590 9.896 -8.108 705 3HG2 VAL 93 3HG2 VAL 93 14.248 10.492 -8.179 706 H GLU 94 H GLU 94 16.379 9.555 -12.275 707 HA GLU 94 HA GLU 94 14.828 9.121 -14.721 708 1HB GLU 94 1HB GLU 94 17.118 10.339 -14.611 709 2HB GLU 94 2HB GLU 94 17.798 8.725 -14.454 710 1HG GLU 94 1HG GLU 94 15.889 9.069 -16.658 711 2HG GLU 94 2HG GLU 94 17.385 9.991 -16.799 712 H LEU 95 H LEU 95 13.795 7.196 -14.646 713 HA LEU 95 HA LEU 95 15.308 4.843 -13.710 714 1HB LEU 95 1HB LEU 95 12.317 5.121 -13.970 715 2HB LEU 95 2HB LEU 95 13.188 3.781 -13.248 716 HG LEU 95 HG LEU 95 14.107 5.679 -11.649 717 1HD1 LEU 95 1HD1 LEU 95 11.518 6.785 -12.706 718 2HD1 LEU 95 2HD1 LEU 95 12.232 7.277 -11.172 719 3HD1 LEU 95 3HD1 LEU 95 13.099 7.564 -12.681 720 1HD2 LEU 95 1HD2 LEU 95 11.413 4.345 -11.488 721 2HD2 LEU 95 2HD2 LEU 95 12.941 3.778 -10.813 722 3HD2 LEU 95 3HD2 LEU 95 12.157 5.210 -10.143 723 H ILE 96 H ILE 96 14.936 2.819 -14.778 724 HA ILE 96 HA ILE 96 14.259 3.095 -17.638 725 HB ILE 96 HB ILE 96 16.208 1.090 -16.493 726 1HG1 ILE 96 1HG1 ILE 96 17.078 3.373 -16.159 727 2HG1 ILE 96 2HG1 ILE 96 18.012 2.497 -17.368 728 1HG2 ILE 96 1HG2 ILE 96 15.131 0.493 -18.615 729 2HG2 ILE 96 2HG2 ILE 96 15.719 1.998 -19.326 730 3HG2 ILE 96 3HG2 ILE 96 16.864 0.763 -18.804 731 1HD1 ILE 96 1HD1 ILE 96 16.304 3.700 -19.000 732 2HD1 ILE 96 2HD1 ILE 96 16.252 4.853 -17.666 733 3HD1 ILE 96 3HD1 ILE 96 17.788 4.474 -18.445 734 H ILE 97 H ILE 97 12.661 1.782 -18.359 735 HA ILE 97 HA ILE 97 11.931 -0.555 -16.718 736 HB ILE 97 HB ILE 97 9.541 -0.085 -17.198 737 1HG1 ILE 97 1HG1 ILE 97 10.436 2.687 -17.985 738 2HG1 ILE 97 2HG1 ILE 97 10.122 1.434 -19.182 739 1HG2 ILE 97 1HG2 ILE 97 10.673 0.559 -15.074 740 2HG2 ILE 97 2HG2 ILE 97 10.902 2.175 -15.743 741 3HG2 ILE 97 3HG2 ILE 97 9.273 1.555 -15.474 742 1HD1 ILE 97 1HD1 ILE 97 8.130 2.452 -17.170 743 2HD1 ILE 97 2HD1 ILE 97 8.210 2.927 -18.866 744 3HD1 ILE 97 3HD1 ILE 97 7.827 1.261 -18.434 745 H VAL 98 H VAL 98 10.442 -2.069 -17.910 746 HA VAL 98 HA VAL 98 10.722 -2.024 -20.812 747 HB VAL 98 HB VAL 98 11.646 -4.438 -19.246 748 1HG1 VAL 98 1HG1 VAL 98 10.778 -4.928 -21.466 749 2HG1 VAL 98 2HG1 VAL 98 11.864 -3.730 -22.170 750 3HG1 VAL 98 3HG1 VAL 98 12.523 -5.178 -21.410 751 1HG2 VAL 98 1HG2 VAL 98 13.195 -2.566 -18.883 752 2HG2 VAL 98 2HG2 VAL 98 13.927 -3.847 -19.852 753 3HG2 VAL 98 3HG2 VAL 98 13.355 -2.369 -20.628 754 H ARG 99 H ARG 99 9.295 -3.438 -21.901 755 HA ARG 99 HA ARG 99 7.133 -4.530 -20.213 756 1HB ARG 99 1HB ARG 99 6.781 -2.525 -21.945 757 2HB ARG 99 2HB ARG 99 6.616 -3.868 -23.069 758 1HG ARG 99 1HG ARG 99 4.443 -3.587 -22.435 759 2HG ARG 99 2HG ARG 99 4.966 -4.783 -21.248 760 1HD ARG 99 1HD ARG 99 5.570 -2.680 -19.822 761 2HD ARG 99 2HD ARG 99 4.440 -1.861 -20.900 762 HE ARG 99 HE ARG 99 2.696 -2.986 -19.902 763 1HH1 ARG 99 1HH1 ARG 99 5.720 -4.391 -18.794 764 2HH1 ARG 99 2HH1 ARG 99 4.961 -5.326 -17.551 765 1HH2 ARG 99 1HH2 ARG 99 1.728 -4.224 -18.264 766 2HH2 ARG 99 2HH2 ARG 99 2.708 -5.232 -17.253 767 H GLU 100 H GLU 100 6.681 -6.633 -20.408 768 HA GLU 100 HA GLU 100 8.412 -8.352 -21.810 769 1HB GLU 100 1HB GLU 100 5.694 -8.953 -20.636 770 2HB GLU 100 2HB GLU 100 6.904 -10.146 -21.088 771 1HG GLU 100 1HG GLU 100 8.444 -9.092 -19.427 772 2HG GLU 100 2HG GLU 100 7.090 -8.096 -18.897 773 H VAL 101 H VAL 101 8.497 -8.646 -23.923 774 HA VAL 101 HA VAL 101 5.973 -8.806 -25.445 775 HB VAL 101 HB VAL 101 8.616 -7.888 -26.590 776 1HG1 VAL 101 1HG1 VAL 101 7.057 -8.884 -28.191 777 2HG1 VAL 101 2HG1 VAL 101 5.804 -7.754 -27.678 778 3HG1 VAL 101 3HG1 VAL 101 7.257 -7.156 -28.479 779 1HG2 VAL 101 1HG2 VAL 101 6.310 -6.275 -25.521 780 2HG2 VAL 101 2HG2 VAL 101 8.011 -6.185 -25.060 781 3HG2 VAL 101 3HG2 VAL 101 7.498 -5.621 -26.649 782 H SER 102 H SER 102 5.629 -10.730 -26.370 783 HA SER 102 HA SER 102 7.918 -12.359 -27.186 784 1HB SER 102 1HB SER 102 6.896 -14.375 -26.134 785 2HB SER 102 2HB SER 102 7.413 -13.168 -24.956 786 HG SER 102 HG SER 102 5.327 -12.614 -24.594 787 H SER 103 H SER 103 7.600 -13.469 -29.030 788 HA SER 103 HA SER 103 4.988 -13.184 -30.324 789 1HB SER 103 1HB SER 103 7.688 -13.943 -31.470 790 2HB SER 103 2HB SER 103 6.204 -13.765 -32.406 791 HG SER 103 HG SER 103 7.665 -11.777 -31.026 792 1H THR 301 1H THR 301 -2.355 -4.884 6.715 793 2H THR 301 2H THR 301 -0.711 -4.827 7.204 794 3H THR 301 3H THR 301 -1.783 -5.961 7.920 795 HA THR 301 HA THR 301 -0.315 -6.967 6.322 796 HB THR 301 HB THR 301 -2.479 -7.953 6.791 797 HG1 THR 301 HG1 THR 301 -1.718 -9.134 5.199 798 1HG2 THR 301 1HG2 THR 301 -4.444 -7.476 5.398 799 2HG2 THR 301 2HG2 THR 301 -3.961 -6.096 6.385 800 3HG2 THR 301 3HG2 THR 301 -3.574 -6.127 4.665 801 H GLY 302 H GLY 302 0.476 -4.577 5.556 802 1HA GLY 302 1HA GLY 302 -0.446 -4.007 2.845 803 2HA GLY 302 2HA GLY 302 0.700 -3.056 3.777 804 H TRP 303 H TRP 303 0.439 -4.928 1.122 805 HA TRP 303 HA TRP 303 3.091 -6.142 1.378 806 1HB TRP 303 1HB TRP 303 2.461 -7.263 -0.803 807 2HB TRP 303 2HB TRP 303 1.492 -7.705 0.599 808 HD1 TRP 303 HD1 TRP 303 -1.073 -7.111 0.547 809 HE1 TRP 303 HE1 TRP 303 -2.642 -6.243 -1.301 810 HE3 TRP 303 HE3 TRP 303 2.434 -5.667 -2.876 811 HZ2 TRP 303 HZ2 TRP 303 -2.417 -5.097 -3.873 812 HZ3 TRP 303 HZ3 TRP 303 1.677 -4.696 -5.006 813 HH2 TRP 303 HH2 TRP 303 -0.700 -4.417 -5.494 814 H GLU 304 H GLU 304 1.583 -3.397 -0.085 815 HA GLU 304 HA GLU 304 3.736 -3.136 -2.057 816 1HB GLU 304 1HB GLU 304 2.403 -1.197 -2.891 817 2HB GLU 304 2HB GLU 304 1.541 -2.729 -2.949 818 1HG GLU 304 1HG GLU 304 1.190 -1.084 -0.518 819 2HG GLU 304 2HG GLU 304 0.456 -0.491 -2.007 820 H THR 305 H THR 305 4.474 -0.751 -2.352 821 HA THR 305 HA THR 305 4.768 0.653 0.191 822 HB THR 305 HB THR 305 7.209 0.020 -1.465 823 HG1 THR 305 HG1 THR 305 6.248 -1.353 0.822 824 1HG2 THR 305 1HG2 THR 305 8.352 0.452 0.719 825 2HG2 THR 305 2HG2 THR 305 7.601 1.860 -0.031 826 3HG2 THR 305 3HG2 THR 305 6.810 1.056 1.325 827 H TRP 306 H TRP 306 4.289 2.710 -0.177 828 HA TRP 306 HA TRP 306 4.472 3.795 -2.872 829 1HB TRP 306 1HB TRP 306 3.265 4.811 -0.301 830 2HB TRP 306 2HB TRP 306 3.403 5.827 -1.732 831 HD1 TRP 306 HD1 TRP 306 1.339 3.037 -0.243 832 HE1 TRP 306 HE1 TRP 306 -0.646 2.520 -1.800 833 HE3 TRP 306 HE3 TRP 306 2.746 5.808 -4.303 834 HZ2 TRP 306 HZ2 TRP 306 -1.499 3.197 -4.402 835 HZ3 TRP 306 HZ3 TRP 306 1.291 5.820 -6.286 836 HH2 TRP 306 HH2 TRP 306 -0.790 4.540 -6.333 837 H VAL 307 H VAL 307 6.466 4.457 -3.435 838 HA VAL 307 HA VAL 307 8.284 5.590 -1.500 839 HB VAL 307 HB VAL 307 9.820 5.857 -3.436 840 1HG1 VAL 307 1HG1 VAL 307 9.793 3.798 -2.112 841 2HG1 VAL 307 2HG1 VAL 307 8.580 3.120 -3.196 842 3HG1 VAL 307 3HG1 VAL 307 10.197 3.482 -3.799 843 1HG2 VAL 307 1HG2 VAL 307 7.944 6.186 -5.098 844 2HG2 VAL 307 2HG2 VAL 307 9.253 5.121 -5.613 845 3HG2 VAL 307 3HG2 VAL 307 7.723 4.437 -5.062 Start of MODEL 4 1 1H GLY 1 1H GLY 1 21.795 -24.568 -24.494 2 2H GLY 1 2H GLY 1 20.922 -24.857 -23.074 3 3H GLY 1 3H GLY 1 20.121 -24.322 -24.464 4 1HA GLY 1 1HA GLY 1 21.517 -26.928 -24.200 5 2HA GLY 1 2HA GLY 1 19.781 -26.705 -24.060 6 H SER 2 H SER 2 18.609 -25.968 -25.940 7 HA SER 2 HA SER 2 19.786 -27.027 -28.393 8 1HB SER 2 1HB SER 2 17.458 -27.670 -27.531 9 2HB SER 2 2HB SER 2 16.948 -26.063 -28.049 10 HG SER 2 HG SER 2 16.886 -26.778 -30.013 11 H HIS 3 H HIS 3 18.735 -25.760 -30.423 12 HA HIS 3 HA HIS 3 20.083 -23.251 -30.462 13 1HB HIS 3 1HB HIS 3 19.051 -23.066 -32.767 14 2HB HIS 3 2HB HIS 3 20.048 -24.490 -32.496 15 HD1 HIS 3 HD1 HIS 3 16.498 -23.432 -33.036 16 HD2 HIS 3 HD2 HIS 3 18.695 -26.930 -32.581 17 HE1 HIS 3 HE1 HIS 3 14.941 -25.294 -33.689 18 HE2 HIS 3 HE2 HIS 3 16.325 -27.391 -33.506 19 H MET 4 H MET 4 19.341 -21.439 -29.621 20 HA MET 4 HA MET 4 16.723 -21.039 -28.710 21 1HB MET 4 1HB MET 4 17.381 -18.745 -28.287 22 2HB MET 4 2HB MET 4 18.698 -19.823 -27.851 23 1HG MET 4 1HG MET 4 18.752 -18.706 -30.588 24 2HG MET 4 2HG MET 4 19.034 -17.581 -29.263 25 1HE MET 4 1HE MET 4 20.689 -18.129 -27.321 26 2HE MET 4 2HE MET 4 20.601 -19.885 -27.191 27 3HE MET 4 3HE MET 4 22.149 -19.100 -27.503 28 H GLY 5 H GLY 5 15.219 -19.317 -29.401 29 1HA GLY 5 1HA GLY 5 15.280 -18.215 -32.004 30 2HA GLY 5 2HA GLY 5 14.332 -19.694 -32.021 31 H HIS 6 H HIS 6 14.618 -17.173 -29.533 32 HA HIS 6 HA HIS 6 11.711 -17.025 -29.406 33 1HB HIS 6 1HB HIS 6 13.905 -15.890 -27.669 34 2HB HIS 6 2HB HIS 6 12.202 -15.518 -27.423 35 HD1 HIS 6 HD1 HIS 6 12.181 -16.676 -25.118 36 HD2 HIS 6 HD2 HIS 6 13.204 -19.187 -28.268 37 HE1 HIS 6 HE1 HIS 6 12.066 -19.010 -24.185 38 HE2 HIS 6 HE2 HIS 6 12.616 -20.515 -26.128 39 H GLU 7 H GLU 7 10.516 -15.359 -30.123 40 HA GLU 7 HA GLU 7 11.942 -13.032 -31.243 41 1HB GLU 7 1HB GLU 7 10.738 -14.573 -32.856 42 2HB GLU 7 2HB GLU 7 9.233 -14.056 -32.107 43 1HG GLU 7 1HG GLU 7 9.379 -12.675 -33.943 44 2HG GLU 7 2HG GLU 7 10.050 -11.670 -32.659 45 H LEU 8 H LEU 8 11.731 -12.395 -28.864 46 HA LEU 8 HA LEU 8 9.092 -11.404 -28.139 47 1HB LEU 8 1HB LEU 8 11.436 -12.243 -26.719 48 2HB LEU 8 2HB LEU 8 11.067 -10.596 -26.242 49 HG LEU 8 HG LEU 8 8.702 -11.378 -25.784 50 1HD1 LEU 8 1HD1 LEU 8 8.822 -13.437 -27.125 51 2HD1 LEU 8 2HD1 LEU 8 9.987 -14.098 -25.978 52 3HD1 LEU 8 3HD1 LEU 8 8.340 -13.748 -25.458 53 1HD2 LEU 8 1HD2 LEU 8 10.323 -10.968 -24.006 54 2HD2 LEU 8 2HD2 LEU 8 9.286 -12.340 -23.616 55 3HD2 LEU 8 3HD2 LEU 8 10.936 -12.612 -24.177 56 H ALA 9 H ALA 9 8.487 -9.295 -28.158 57 HA ALA 9 HA ALA 9 10.378 -7.397 -29.358 58 1HB ALA 9 1HB ALA 9 8.147 -7.904 -30.444 59 2HB ALA 9 2HB ALA 9 7.402 -7.029 -29.107 60 3HB ALA 9 3HB ALA 9 8.521 -6.199 -30.189 61 H LYS 10 H LYS 10 10.908 -7.815 -26.736 62 HA LYS 10 HA LYS 10 9.543 -6.139 -24.918 63 1HB LYS 10 1HB LYS 10 12.314 -7.324 -24.922 64 2HB LYS 10 2HB LYS 10 11.725 -6.325 -23.599 65 1HG LYS 10 1HG LYS 10 9.904 -7.891 -23.209 66 2HG LYS 10 2HG LYS 10 10.462 -8.886 -24.554 67 1HD LYS 10 1HD LYS 10 12.234 -8.222 -22.220 68 2HD LYS 10 2HD LYS 10 11.139 -9.607 -22.199 69 1HE LYS 10 1HE LYS 10 12.233 -10.316 -24.376 70 2HE LYS 10 2HE LYS 10 13.459 -9.093 -24.044 71 1HZ LYS 10 1HZ LYS 10 12.776 -11.310 -22.193 72 2HZ LYS 10 2HZ LYS 10 14.067 -11.347 -23.284 73 3HZ LYS 10 3HZ LYS 10 14.049 -10.209 -22.033 74 H GLN 11 H GLN 11 9.376 -4.011 -25.062 75 HA GLN 11 HA GLN 11 11.395 -2.452 -26.461 76 1HB GLN 11 1HB GLN 11 9.800 -0.609 -26.296 77 2HB GLN 11 2HB GLN 11 9.028 -2.050 -26.944 78 1HG GLN 11 1HG GLN 11 8.485 -2.376 -24.333 79 2HG GLN 11 2HG GLN 11 8.555 -0.616 -24.415 80 1HE2 GLN 11 2HE2 GLN 11 6.936 -3.484 -25.623 81 2HE2 GLN 11 1HE2 GLN 11 5.518 -2.674 -26.186 82 H GLU 12 H GLU 12 13.106 -1.752 -25.373 83 HA GLU 12 HA GLU 12 12.979 -1.276 -22.509 84 1HB GLU 12 1HB GLU 12 14.899 -2.451 -23.700 85 2HB GLU 12 2HB GLU 12 15.365 -0.868 -24.313 86 1HG GLU 12 1HG GLU 12 14.961 -1.164 -21.389 87 2HG GLU 12 2HG GLU 12 16.402 -1.883 -22.106 88 H ILE 13 H ILE 13 11.888 0.582 -22.105 89 HA ILE 13 HA ILE 13 12.868 3.051 -23.401 90 HB ILE 13 HB ILE 13 10.642 4.036 -22.814 91 1HG1 ILE 13 1HG1 ILE 13 9.973 1.140 -22.216 92 2HG1 ILE 13 2HG1 ILE 13 10.010 2.456 -21.048 93 1HG2 ILE 13 1HG2 ILE 13 10.694 1.647 -24.656 94 2HG2 ILE 13 2HG2 ILE 13 9.469 2.915 -24.675 95 3HG2 ILE 13 3HG2 ILE 13 11.145 3.302 -25.064 96 1HD1 ILE 13 1HD1 ILE 13 8.196 3.547 -22.426 97 2HD1 ILE 13 2HD1 ILE 13 8.061 2.012 -23.282 98 3HD1 ILE 13 3HD1 ILE 13 7.749 2.085 -21.549 99 H ARG 14 H ARG 14 12.842 5.022 -22.157 100 HA ARG 14 HA ARG 14 13.343 4.571 -19.283 101 1HB ARG 14 1HB ARG 14 15.256 5.264 -20.904 102 2HB ARG 14 2HB ARG 14 14.507 6.853 -20.852 103 1HG ARG 14 1HG ARG 14 14.710 6.731 -18.340 104 2HG ARG 14 2HG ARG 14 15.725 5.309 -18.584 105 1HD ARG 14 1HD ARG 14 17.273 7.031 -18.439 106 2HD ARG 14 2HD ARG 14 17.073 6.828 -20.178 107 HE ARG 14 HE ARG 14 15.248 8.759 -19.316 108 1HH1 ARG 14 1HH1 ARG 14 18.730 8.388 -19.615 109 2HH1 ARG 14 2HH1 ARG 14 19.006 10.084 -19.831 110 1HH2 ARG 14 1HH2 ARG 14 15.638 10.977 -19.601 111 2HH2 ARG 14 2HH2 ARG 14 17.260 11.547 -19.822 112 H VAL 15 H VAL 15 12.826 6.323 -17.823 113 HA VAL 15 HA VAL 15 11.079 8.443 -18.797 114 HB VAL 15 HB VAL 15 9.355 7.894 -17.046 115 1HG1 VAL 15 1HG1 VAL 15 8.971 7.452 -19.417 116 2HG1 VAL 15 2HG1 VAL 15 9.726 5.867 -19.249 117 3HG1 VAL 15 3HG1 VAL 15 8.216 6.219 -18.407 118 1HG2 VAL 15 1HG2 VAL 15 10.848 5.275 -16.988 119 2HG2 VAL 15 2HG2 VAL 15 10.647 6.409 -15.652 120 3HG2 VAL 15 3HG2 VAL 15 9.251 5.540 -16.289 121 H ARG 16 H ARG 16 11.043 10.259 -17.446 122 HA ARG 16 HA ARG 16 12.793 10.094 -15.077 123 1HB ARG 16 1HB ARG 16 13.210 12.503 -15.366 124 2HB ARG 16 2HB ARG 16 13.705 11.575 -16.773 125 1HG ARG 16 1HG ARG 16 10.971 12.674 -16.856 126 2HG ARG 16 2HG ARG 16 12.283 13.850 -16.896 127 1HD ARG 16 1HD ARG 16 12.229 11.458 -18.702 128 2HD ARG 16 2HD ARG 16 11.421 12.964 -19.128 129 HE ARG 16 HE ARG 16 14.233 12.431 -19.199 130 1HH1 ARG 16 1HH1 ARG 16 11.864 14.995 -18.798 131 2HH1 ARG 16 2HH1 ARG 16 12.947 16.234 -19.337 132 1HH2 ARG 16 1HH2 ARG 16 15.631 14.073 -19.900 133 2HH2 ARG 16 2HH2 ARG 16 15.075 15.712 -19.960 134 H VAL 17 H VAL 17 12.029 10.607 -13.119 135 HA VAL 17 HA VAL 17 9.283 11.682 -12.956 136 HB VAL 17 HB VAL 17 10.663 9.977 -10.876 137 1HG1 VAL 17 1HG1 VAL 17 7.774 10.766 -11.236 138 2HG1 VAL 17 2HG1 VAL 17 8.394 9.681 -9.992 139 3HG1 VAL 17 3HG1 VAL 17 8.876 11.376 -10.002 140 1HG2 VAL 17 1HG2 VAL 17 10.286 8.813 -13.087 141 2HG2 VAL 17 2HG2 VAL 17 9.513 8.073 -11.685 142 3HG2 VAL 17 3HG2 VAL 17 8.558 9.038 -12.811 143 H GLU 18 H GLU 18 9.133 13.673 -12.163 144 HA GLU 18 HA GLU 18 11.372 14.836 -10.712 145 1HB GLU 18 1HB GLU 18 8.883 15.940 -11.979 146 2HB GLU 18 2HB GLU 18 9.815 16.913 -10.851 147 1HG GLU 18 1HG GLU 18 11.380 15.630 -12.977 148 2HG GLU 18 2HG GLU 18 10.224 16.844 -13.519 149 H LYS 19 H LYS 19 11.453 14.548 -8.586 150 HA LYS 19 HA LYS 19 9.244 13.826 -6.976 151 1HB LYS 19 1HB LYS 19 11.950 13.730 -6.680 152 2HB LYS 19 2HB LYS 19 11.553 15.075 -5.620 153 1HG LYS 19 1HG LYS 19 11.431 13.292 -4.181 154 2HG LYS 19 2HG LYS 19 9.748 13.453 -4.684 155 1HD LYS 19 1HD LYS 19 10.220 11.152 -4.822 156 2HD LYS 19 2HD LYS 19 10.284 11.739 -6.485 157 1HE LYS 19 1HE LYS 19 12.166 10.363 -6.277 158 2HE LYS 19 2HE LYS 19 12.797 12.000 -6.111 159 1HZ LYS 19 1HZ LYS 19 12.166 10.179 -3.851 160 2HZ LYS 19 2HZ LYS 19 13.717 10.480 -4.456 161 3HZ LYS 19 3HZ LYS 19 12.837 11.726 -3.726 162 H ASP 20 H ASP 20 7.618 15.096 -6.356 163 HA ASP 20 HA ASP 20 7.977 17.550 -5.027 164 1HB ASP 20 1HB ASP 20 7.627 17.687 -7.954 165 2HB ASP 20 2HB ASP 20 6.531 18.720 -7.041 166 HA PRO 21 HA PRO 21 7.488 17.003 -3.163 167 1HB PRO 21 1HB PRO 21 6.015 15.523 -1.213 168 2HB PRO 21 2HB PRO 21 6.252 17.268 -1.290 169 1HG PRO 21 1HG PRO 21 3.828 15.964 -1.640 170 2HG PRO 21 2HG PRO 21 4.188 17.617 -2.166 171 1HD PRO 21 1HD PRO 21 4.176 15.080 -3.751 172 2HD PRO 21 2HD PRO 21 3.635 16.707 -4.218 173 H GLU 22 H GLU 22 5.853 14.089 -4.214 174 HA GLU 22 HA GLU 22 8.298 12.558 -3.618 175 1HB GLU 22 1HB GLU 22 5.432 11.740 -3.145 176 2HB GLU 22 2HB GLU 22 6.745 10.573 -3.235 177 1HG GLU 22 1HG GLU 22 6.668 10.890 -0.990 178 2HG GLU 22 2HG GLU 22 7.820 12.152 -1.424 179 H LEU 23 H LEU 23 7.952 10.256 -4.809 180 HA LEU 23 HA LEU 23 8.134 10.817 -7.563 181 1HB LEU 23 1HB LEU 23 7.870 8.245 -6.020 182 2HB LEU 23 2HB LEU 23 7.986 8.269 -7.771 183 HG LEU 23 HG LEU 23 10.134 9.820 -7.071 184 1HD1 LEU 23 1HD1 LEU 23 9.668 9.223 -4.666 185 2HD1 LEU 23 2HD1 LEU 23 10.119 7.569 -5.078 186 3HD1 LEU 23 3HD1 LEU 23 11.296 8.871 -5.245 187 1HD2 LEU 23 1HD2 LEU 23 10.094 6.825 -7.429 188 2HD2 LEU 23 2HD2 LEU 23 10.165 8.027 -8.717 189 3HD2 LEU 23 3HD2 LEU 23 11.512 7.860 -7.590 190 H GLY 24 H GLY 24 5.646 8.938 -5.807 191 1HA GLY 24 1HA GLY 24 3.298 9.428 -6.170 192 2HA GLY 24 2HA GLY 24 3.692 9.845 -7.829 193 H PHE 25 H PHE 25 5.050 6.990 -6.324 194 HA PHE 25 HA PHE 25 3.000 5.232 -7.298 195 1HB PHE 25 1HB PHE 25 4.325 4.061 -8.968 196 2HB PHE 25 2HB PHE 25 4.195 5.762 -9.399 197 HD1 PHE 25 HD1 PHE 25 6.447 3.186 -8.024 198 HD2 PHE 25 HD2 PHE 25 6.120 7.125 -9.605 199 HE1 PHE 25 HE1 PHE 25 8.897 3.311 -8.210 200 HE2 PHE 25 HE2 PHE 25 8.570 7.256 -9.792 201 HZ PHE 25 HZ PHE 25 9.961 5.347 -9.096 202 H SER 26 H SER 26 3.076 3.243 -6.360 203 HA SER 26 HA SER 26 5.114 2.877 -4.301 204 1HB SER 26 1HB SER 26 3.472 0.883 -3.754 205 2HB SER 26 2HB SER 26 3.053 2.536 -3.306 206 HG SER 26 HG SER 26 2.226 1.226 -5.686 207 H ILE 27 H ILE 27 6.200 0.858 -4.014 208 HA ILE 27 HA ILE 27 6.396 -0.763 -6.473 209 HB ILE 27 HB ILE 27 8.781 -1.130 -5.948 210 1HG1 ILE 27 1HG1 ILE 27 8.553 1.131 -3.963 211 2HG1 ILE 27 2HG1 ILE 27 8.455 -0.557 -3.467 212 1HG2 ILE 27 1HG2 ILE 27 8.085 0.614 -7.529 213 2HG2 ILE 27 2HG2 ILE 27 8.049 1.783 -6.209 214 3HG2 ILE 27 3HG2 ILE 27 9.575 1.040 -6.689 215 1HD1 ILE 27 1HD1 ILE 27 10.723 -0.543 -4.977 216 2HD1 ILE 27 2HD1 ILE 27 10.768 1.049 -4.219 217 3HD1 ILE 27 3HD1 ILE 27 10.664 -0.402 -3.220 218 H SER 28 H SER 28 6.900 -2.990 -6.201 219 HA SER 28 HA SER 28 6.779 -4.077 -3.497 220 1HB SER 28 1HB SER 28 4.814 -4.873 -5.659 221 2HB SER 28 2HB SER 28 4.963 -5.636 -4.077 222 HG SER 28 HG SER 28 3.313 -3.870 -4.451 223 H GLY 29 H GLY 29 7.266 -6.410 -3.442 224 1HA GLY 29 1HA GLY 29 8.059 -8.389 -4.542 225 2HA GLY 29 2HA GLY 29 8.666 -7.380 -5.844 226 H GLY 30 H GLY 30 10.741 -8.168 -5.790 227 1HA GLY 30 1HA GLY 30 12.959 -7.605 -5.132 228 2HA GLY 30 2HA GLY 30 12.359 -7.238 -3.520 229 H VAL 31 H VAL 31 14.616 -8.887 -4.083 230 HA VAL 31 HA VAL 31 13.806 -11.650 -3.859 231 HB VAL 31 HB VAL 31 16.557 -10.527 -3.325 232 1HG1 VAL 31 1HG1 VAL 31 16.114 -12.855 -2.608 233 2HG1 VAL 31 2HG1 VAL 31 15.710 -13.257 -4.277 234 3HG1 VAL 31 3HG1 VAL 31 17.344 -12.734 -3.867 235 1HG2 VAL 31 1HG2 VAL 31 15.378 -11.411 -5.959 236 2HG2 VAL 31 2HG2 VAL 31 15.840 -9.767 -5.521 237 3HG2 VAL 31 3HG2 VAL 31 17.074 -11.017 -5.678 238 H GLY 32 H GLY 32 12.892 -12.349 -2.046 239 1HA GLY 32 1HA GLY 32 12.936 -13.077 0.172 240 2HA GLY 32 2HA GLY 32 14.302 -12.020 0.468 241 H GLY 33 H GLY 33 11.918 -10.182 -1.060 242 1HA GLY 33 1HA GLY 33 11.294 -8.853 1.429 243 2HA GLY 33 2HA GLY 33 10.818 -8.338 -0.180 244 H ARG 34 H ARG 34 8.725 -7.874 0.613 245 HA ARG 34 HA ARG 34 7.102 -9.910 1.795 246 1HB ARG 34 1HB ARG 34 6.282 -7.269 0.582 247 2HB ARG 34 2HB ARG 34 5.307 -8.268 1.650 248 1HG ARG 34 1HG ARG 34 6.465 -7.664 3.510 249 2HG ARG 34 2HG ARG 34 7.974 -7.428 2.628 250 1HD ARG 34 1HD ARG 34 6.487 -5.461 1.549 251 2HD ARG 34 2HD ARG 34 5.760 -5.546 3.153 252 HE ARG 34 HE ARG 34 8.602 -5.478 3.299 253 1HH1 ARG 34 1HH1 ARG 34 5.806 -3.410 2.805 254 2HH1 ARG 34 2HH1 ARG 34 6.608 -1.992 3.391 255 1HH2 ARG 34 1HH2 ARG 34 9.631 -3.604 4.063 256 2HH2 ARG 34 2HH2 ARG 34 8.770 -2.101 4.101 257 H GLY 35 H GLY 35 8.095 -9.628 -1.397 258 1HA GLY 35 1HA GLY 35 7.414 -10.984 -3.164 259 2HA GLY 35 2HA GLY 35 5.964 -11.392 -2.261 260 H ASN 36 H ASN 36 4.653 -11.103 -4.078 261 HA ASN 36 HA ASN 36 3.560 -8.520 -4.395 262 1HB ASN 36 1HB ASN 36 4.146 -8.166 -6.790 263 2HB ASN 36 2HB ASN 36 5.538 -8.051 -5.718 264 1HD2 ASN 36 2HD2 ASN 36 7.015 -9.803 -5.644 265 2HD2 ASN 36 1HD2 ASN 36 7.165 -10.885 -6.983 266 HA PRO 37 HA PRO 37 0.469 -11.348 -5.946 267 1HB PRO 37 1HB PRO 37 -1.613 -9.711 -6.124 268 2HB PRO 37 2HB PRO 37 -0.879 -10.072 -4.557 269 1HG PRO 37 1HG PRO 37 -0.636 -7.628 -6.247 270 2HG PRO 37 2HG PRO 37 -0.697 -7.773 -4.482 271 1HD PRO 37 1HD PRO 37 1.620 -7.487 -6.056 272 2HD PRO 37 2HD PRO 37 1.561 -7.947 -4.344 273 H PHE 38 H PHE 38 2.270 -10.349 -8.010 274 HA PHE 38 HA PHE 38 0.356 -10.161 -10.248 275 1HB PHE 38 1HB PHE 38 2.954 -8.692 -9.836 276 2HB PHE 38 2HB PHE 38 2.258 -8.907 -11.439 277 HD1 PHE 38 HD1 PHE 38 1.354 -7.680 -8.041 278 HD2 PHE 38 HD2 PHE 38 0.779 -7.331 -12.244 279 HE1 PHE 38 HE1 PHE 38 -0.075 -5.710 -7.679 280 HE2 PHE 38 HE2 PHE 38 -0.649 -5.360 -11.888 281 HZ PHE 38 HZ PHE 38 -1.078 -4.547 -9.603 282 H ARG 39 H ARG 39 3.740 -10.980 -9.458 283 HA ARG 39 HA ARG 39 3.575 -13.174 -11.429 284 1HB ARG 39 1HB ARG 39 6.029 -11.666 -10.499 285 2HB ARG 39 2HB ARG 39 6.015 -12.984 -11.663 286 1HG ARG 39 1HG ARG 39 4.310 -10.616 -12.207 287 2HG ARG 39 2HG ARG 39 6.054 -10.464 -12.422 288 1HD ARG 39 1HD ARG 39 5.582 -11.222 -14.494 289 2HD ARG 39 2HD ARG 39 5.637 -12.793 -13.696 290 HE ARG 39 HE ARG 39 3.060 -12.128 -13.409 291 1HH1 ARG 39 1HH1 ARG 39 5.131 -12.071 -16.248 292 2HH1 ARG 39 2HH1 ARG 39 3.822 -12.347 -17.346 293 1HH2 ARG 39 1HH2 ARG 39 1.366 -12.495 -14.871 294 2HH2 ARG 39 2HH2 ARG 39 1.696 -12.587 -16.569 295 HA PRO 40 HA PRO 40 4.282 -15.717 -7.823 296 1HB PRO 40 1HB PRO 40 4.251 -18.136 -8.952 297 2HB PRO 40 2HB PRO 40 2.793 -17.141 -8.866 298 1HG PRO 40 1HG PRO 40 4.599 -17.665 -11.178 299 2HG PRO 40 2HG PRO 40 2.838 -17.473 -11.148 300 1HD PRO 40 1HD PRO 40 4.690 -15.498 -11.849 301 2HD PRO 40 2HD PRO 40 2.990 -15.224 -11.426 302 H ASP 41 H ASP 41 6.231 -16.569 -10.700 303 HA ASP 41 HA ASP 41 8.369 -17.512 -8.958 304 1HB ASP 41 1HB ASP 41 9.429 -18.243 -11.108 305 2HB ASP 41 2HB ASP 41 7.853 -18.962 -10.787 306 H ASP 42 H ASP 42 7.572 -14.548 -10.430 307 HA ASP 42 HA ASP 42 10.389 -13.781 -10.721 308 1HB ASP 42 1HB ASP 42 8.421 -13.294 -12.439 309 2HB ASP 42 2HB ASP 42 8.158 -11.911 -11.380 310 H ASP 43 H ASP 43 11.363 -12.741 -9.098 311 HA ASP 43 HA ASP 43 9.680 -11.387 -7.092 312 1HB ASP 43 1HB ASP 43 11.597 -11.760 -5.540 313 2HB ASP 43 2HB ASP 43 10.903 -13.255 -6.163 314 H GLY 44 H GLY 44 10.365 -9.999 -9.451 315 1HA GLY 44 1HA GLY 44 12.605 -8.251 -8.802 316 2HA GLY 44 2HA GLY 44 11.612 -8.180 -10.252 317 H ILE 45 H ILE 45 11.554 -5.851 -9.907 318 HA ILE 45 HA ILE 45 9.750 -5.038 -7.715 319 HB ILE 45 HB ILE 45 11.411 -3.122 -9.343 320 1HG1 ILE 45 1HG1 ILE 45 12.964 -4.727 -8.304 321 2HG1 ILE 45 2HG1 ILE 45 13.088 -3.141 -7.547 322 1HG2 ILE 45 1HG2 ILE 45 9.496 -2.276 -8.029 323 2HG2 ILE 45 2HG2 ILE 45 10.256 -2.910 -6.569 324 3HG2 ILE 45 3HG2 ILE 45 11.047 -1.631 -7.490 325 1HD1 ILE 45 1HD1 ILE 45 11.414 -5.353 -6.410 326 2HD1 ILE 45 2HD1 ILE 45 13.115 -5.123 -6.003 327 3HD1 ILE 45 3HD1 ILE 45 11.938 -3.863 -5.627 328 H PHE 46 H PHE 46 7.725 -4.454 -8.237 329 HA PHE 46 HA PHE 46 7.206 -3.518 -10.986 330 1HB PHE 46 1HB PHE 46 5.325 -5.238 -9.354 331 2HB PHE 46 2HB PHE 46 5.143 -4.761 -11.040 332 HD1 PHE 46 HD1 PHE 46 7.417 -6.647 -8.777 333 HD2 PHE 46 HD2 PHE 46 5.873 -6.177 -12.715 334 HE1 PHE 46 HE1 PHE 46 8.588 -8.695 -9.477 335 HE2 PHE 46 HE2 PHE 46 7.042 -8.224 -13.422 336 HZ PHE 46 HZ PHE 46 8.400 -9.486 -11.802 337 H VAL 47 H VAL 47 5.527 -1.976 -11.214 338 HA VAL 47 HA VAL 47 5.049 -0.417 -8.787 339 HB VAL 47 HB VAL 47 4.448 0.362 -11.646 340 1HG1 VAL 47 1HG1 VAL 47 4.636 1.947 -9.090 341 2HG1 VAL 47 2HG1 VAL 47 4.571 2.670 -10.698 342 3HG1 VAL 47 3HG1 VAL 47 3.214 1.710 -10.107 343 1HG2 VAL 47 1HG2 VAL 47 6.866 -0.161 -11.220 344 2HG2 VAL 47 2HG2 VAL 47 6.543 1.495 -11.732 345 3HG2 VAL 47 3HG2 VAL 47 6.871 1.146 -10.035 346 H THR 48 H THR 48 3.463 -1.940 -7.969 347 HA THR 48 HA THR 48 1.205 -2.974 -8.932 348 HB THR 48 HB THR 48 1.749 -3.229 -6.624 349 HG1 THR 48 HG1 THR 48 -0.409 -3.527 -6.938 350 1HG2 THR 48 1HG2 THR 48 0.781 -0.490 -5.942 351 2HG2 THR 48 2HG2 THR 48 1.760 -1.605 -4.991 352 3HG2 THR 48 3HG2 THR 48 2.472 -0.761 -6.365 353 H ARG 49 H ARG 49 1.186 0.460 -7.800 354 HA ARG 49 HA ARG 49 -0.701 1.147 -9.852 355 1HB ARG 49 1HB ARG 49 -2.535 1.831 -8.411 356 2HB ARG 49 2HB ARG 49 -2.206 0.116 -8.208 357 1HG ARG 49 1HG ARG 49 -1.316 0.404 -6.088 358 2HG ARG 49 2HG ARG 49 -1.000 2.122 -6.347 359 1HD ARG 49 1HD ARG 49 -3.193 2.720 -5.979 360 2HD ARG 49 2HD ARG 49 -3.813 1.136 -6.439 361 HE ARG 49 HE ARG 49 -2.378 0.695 -4.146 362 1HH1 ARG 49 1HH1 ARG 49 -5.104 2.743 -5.001 363 2HH1 ARG 49 2HH1 ARG 49 -5.778 2.705 -3.406 364 1HH2 ARG 49 1HH2 ARG 49 -3.285 0.663 -2.065 365 2HH2 ARG 49 2HH2 ARG 49 -4.750 1.530 -1.747 366 H VAL 50 H VAL 50 -1.355 3.447 -9.758 367 HA VAL 50 HA VAL 50 0.762 5.094 -8.520 368 HB VAL 50 HB VAL 50 -0.844 5.865 -10.963 369 1HG1 VAL 50 1HG1 VAL 50 0.438 7.557 -9.486 370 2HG1 VAL 50 2HG1 VAL 50 1.879 6.869 -10.234 371 3HG1 VAL 50 3HG1 VAL 50 0.640 7.623 -11.236 372 1HG2 VAL 50 1HG2 VAL 50 0.457 3.780 -11.387 373 2HG2 VAL 50 2HG2 VAL 50 0.963 5.153 -12.374 374 3HG2 VAL 50 3HG2 VAL 50 1.925 4.667 -10.978 375 H GLN 51 H GLN 51 0.164 7.057 -7.511 376 HA GLN 51 HA GLN 51 -2.668 7.180 -6.781 377 1HB GLN 51 1HB GLN 51 -0.143 7.964 -5.460 378 2HB GLN 51 2HB GLN 51 -1.522 9.013 -5.162 379 1HG GLN 51 1HG GLN 51 -1.945 6.096 -4.888 380 2HG GLN 51 2HG GLN 51 -0.977 6.902 -3.654 381 1HE2 GLN 51 2HE2 GLN 51 -4.026 5.998 -4.490 382 2HE2 GLN 51 1HE2 GLN 51 -4.932 7.091 -3.505 383 HA PRO 52 HA PRO 52 -2.286 11.639 -8.265 384 1HB PRO 52 1HB PRO 52 0.000 12.943 -8.578 385 2HB PRO 52 2HB PRO 52 -0.623 12.615 -6.955 386 1HG PRO 52 1HG PRO 52 1.493 11.152 -8.496 387 2HG PRO 52 2HG PRO 52 1.513 11.683 -6.803 388 1HD PRO 52 1HD PRO 52 0.875 9.131 -7.596 389 2HD PRO 52 2HD PRO 52 0.294 9.883 -6.097 390 H GLU 53 H GLU 53 -2.968 11.663 -10.326 391 HA GLU 53 HA GLU 53 -1.468 10.376 -12.416 392 1HB GLU 53 1HB GLU 53 -4.051 11.947 -12.461 393 2HB GLU 53 2HB GLU 53 -3.367 11.142 -13.866 394 1HG GLU 53 1HG GLU 53 -3.390 9.058 -12.254 395 2HG GLU 53 2HG GLU 53 -4.657 9.987 -11.455 396 H GLY 54 H GLY 54 0.383 11.937 -11.866 397 1HA GLY 54 1HA GLY 54 0.347 14.041 -13.895 398 2HA GLY 54 2HA GLY 54 0.701 14.530 -12.245 399 HA PRO 55 HA PRO 55 4.988 13.587 -12.699 400 1HB PRO 55 1HB PRO 55 5.591 11.805 -10.674 401 2HB PRO 55 2HB PRO 55 5.468 13.554 -10.477 402 1HG PRO 55 1HG PRO 55 3.464 11.431 -9.858 403 2HG PRO 55 2HG PRO 55 3.858 12.905 -8.954 404 1HD PRO 55 1HD PRO 55 1.662 12.728 -10.499 405 2HD PRO 55 2HD PRO 55 2.570 14.244 -10.326 406 H ALA 56 H ALA 56 3.710 10.437 -11.582 407 HA ALA 56 HA ALA 56 5.033 9.186 -13.900 408 1HB ALA 56 1HB ALA 56 4.471 8.191 -11.125 409 2HB ALA 56 2HB ALA 56 4.831 7.081 -12.447 410 3HB ALA 56 3HB ALA 56 6.014 8.299 -11.971 411 H SER 57 H SER 57 2.605 10.334 -14.405 412 HA SER 57 HA SER 57 0.500 8.371 -14.156 413 1HB SER 57 1HB SER 57 -0.890 9.985 -15.310 414 2HB SER 57 2HB SER 57 0.057 10.825 -14.082 415 HG SER 57 HG SER 57 0.163 11.989 -15.990 416 H LYS 58 H LYS 58 2.092 9.946 -16.938 417 HA LYS 58 HA LYS 58 1.236 7.742 -18.644 418 1HB LYS 58 1HB LYS 58 2.437 10.446 -19.187 419 2HB LYS 58 2HB LYS 58 2.304 9.224 -20.446 420 1HG LYS 58 1HG LYS 58 0.260 9.990 -20.849 421 2HG LYS 58 2HG LYS 58 -0.225 9.296 -19.303 422 1HD LYS 58 1HD LYS 58 -0.240 11.319 -18.244 423 2HD LYS 58 2HD LYS 58 1.041 11.983 -19.261 424 1HE LYS 58 1HE LYS 58 -1.056 13.105 -19.724 425 2HE LYS 58 2HE LYS 58 -0.556 12.157 -21.123 426 1HZ LYS 58 1HZ LYS 58 -2.098 10.414 -20.425 427 2HZ LYS 58 2HZ LYS 58 -2.602 11.366 -19.121 428 3HZ LYS 58 3HZ LYS 58 -2.903 11.876 -20.705 429 H LEU 59 H LEU 59 3.828 8.048 -16.644 430 HA LEU 59 HA LEU 59 5.845 7.189 -18.568 431 1HB LEU 59 1HB LEU 59 6.043 7.674 -15.593 432 2HB LEU 59 2HB LEU 59 7.391 7.304 -16.655 433 HG LEU 59 HG LEU 59 5.645 9.756 -16.893 434 1HD1 LEU 59 1HD1 LEU 59 6.987 9.759 -14.835 435 2HD1 LEU 59 2HD1 LEU 59 8.441 9.497 -15.798 436 3HD1 LEU 59 3HD1 LEU 59 7.518 10.989 -15.982 437 1HD2 LEU 59 1HD2 LEU 59 6.675 8.965 -19.000 438 2HD2 LEU 59 2HD2 LEU 59 7.284 10.535 -18.477 439 3HD2 LEU 59 3HD2 LEU 59 8.260 9.086 -18.235 440 H LEU 60 H LEU 60 5.064 5.952 -15.295 441 HA LEU 60 HA LEU 60 5.610 3.248 -16.275 442 1HB LEU 60 1HB LEU 60 5.102 4.102 -13.431 443 2HB LEU 60 2HB LEU 60 5.796 2.588 -13.979 444 HG LEU 60 HG LEU 60 7.442 4.689 -14.998 445 1HD1 LEU 60 1HD1 LEU 60 6.901 4.948 -12.045 446 2HD1 LEU 60 2HD1 LEU 60 8.222 5.726 -12.916 447 3HD1 LEU 60 3HD1 LEU 60 6.550 6.152 -13.286 448 1HD2 LEU 60 1HD2 LEU 60 8.040 2.313 -14.335 449 2HD2 LEU 60 2HD2 LEU 60 9.191 3.570 -13.883 450 3HD2 LEU 60 3HD2 LEU 60 8.098 2.899 -12.673 451 H GLN 61 H GLN 61 4.138 1.576 -16.168 452 HA GLN 61 HA GLN 61 1.355 2.360 -15.542 453 1HB GLN 61 1HB GLN 61 0.813 0.354 -17.139 454 2HB GLN 61 2HB GLN 61 1.196 1.932 -17.805 455 1HG GLN 61 1HG GLN 61 2.377 0.428 -19.124 456 2HG GLN 61 2HG GLN 61 3.587 1.079 -18.022 457 1HE2 GLN 61 2HE2 GLN 61 4.791 -0.838 -18.606 458 2HE2 GLN 61 1HE2 GLN 61 4.472 -2.326 -17.789 459 HA PRO 62 HA PRO 62 1.036 -0.668 -12.361 460 1HB PRO 62 1HB PRO 62 -1.413 -1.714 -13.689 461 2HB PRO 62 2HB PRO 62 -1.174 -1.175 -12.023 462 1HG PRO 62 1HG PRO 62 -2.472 0.358 -13.755 463 2HG PRO 62 2HG PRO 62 -1.343 1.071 -12.587 464 1HD PRO 62 1HD PRO 62 -0.975 0.544 -15.506 465 2HD PRO 62 2HD PRO 62 -0.419 1.918 -14.528 466 H GLY 63 H GLY 63 2.245 -2.414 -12.155 467 1HA GLY 63 1HA GLY 63 2.666 -4.713 -12.350 468 2HA GLY 63 2HA GLY 63 1.708 -4.748 -13.818 469 H ASP 64 H ASP 64 4.079 -2.245 -13.704 470 HA ASP 64 HA ASP 64 5.526 -3.499 -15.853 471 1HB ASP 64 1HB ASP 64 6.758 -1.384 -15.957 472 2HB ASP 64 2HB ASP 64 5.026 -1.088 -15.866 473 H LYS 65 H LYS 65 8.120 -2.791 -15.558 474 HA LYS 65 HA LYS 65 9.058 -3.893 -13.017 475 1HB LYS 65 1HB LYS 65 8.796 -5.778 -14.624 476 2HB LYS 65 2HB LYS 65 9.933 -4.979 -15.699 477 1HG LYS 65 1HG LYS 65 11.689 -5.184 -14.044 478 2HG LYS 65 2HG LYS 65 10.555 -5.910 -12.904 479 1HD LYS 65 1HD LYS 65 10.162 -7.695 -14.675 480 2HD LYS 65 2HD LYS 65 11.584 -7.046 -15.491 481 1HE LYS 65 1HE LYS 65 12.517 -8.724 -14.226 482 2HE LYS 65 2HE LYS 65 12.702 -7.340 -13.149 483 1HZ LYS 65 1HZ LYS 65 10.663 -8.026 -12.014 484 2HZ LYS 65 2HZ LYS 65 10.547 -9.380 -13.021 485 3HZ LYS 65 3HZ LYS 65 11.848 -9.232 -11.949 486 H ILE 66 H ILE 66 10.693 -2.716 -12.247 487 HA ILE 66 HA ILE 66 12.014 -0.789 -13.998 488 HB ILE 66 HB ILE 66 12.071 -1.116 -10.976 489 1HG1 ILE 66 1HG1 ILE 66 10.891 1.159 -11.158 490 2HG1 ILE 66 2HG1 ILE 66 10.648 0.762 -12.855 491 1HG2 ILE 66 1HG2 ILE 66 13.412 0.960 -12.713 492 2HG2 ILE 66 2HG2 ILE 66 13.124 1.174 -10.986 493 3HG2 ILE 66 3HG2 ILE 66 14.171 -0.128 -11.550 494 1HD1 ILE 66 1HD1 ILE 66 9.812 -1.265 -10.879 495 2HD1 ILE 66 2HD1 ILE 66 8.863 0.218 -10.969 496 3HD1 ILE 66 3HD1 ILE 66 9.070 -0.786 -12.405 497 H ILE 67 H ILE 67 13.972 -1.148 -14.859 498 HA ILE 67 HA ILE 67 15.501 -3.467 -13.970 499 HB ILE 67 HB ILE 67 16.118 -1.715 -16.344 500 1HG1 ILE 67 1HG1 ILE 67 13.819 -2.539 -16.579 501 2HG1 ILE 67 2HG1 ILE 67 14.889 -3.336 -17.728 502 1HG2 ILE 67 1HG2 ILE 67 17.916 -3.181 -15.624 503 2HG2 ILE 67 2HG2 ILE 67 16.831 -4.569 -15.684 504 3HG2 ILE 67 3HG2 ILE 67 17.259 -3.720 -17.169 505 1HD1 ILE 67 1HD1 ILE 67 14.145 -4.564 -15.094 506 2HD1 ILE 67 2HD1 ILE 67 13.198 -4.794 -16.564 507 3HD1 ILE 67 3HD1 ILE 67 14.873 -5.341 -16.501 508 H GLN 68 H GLN 68 15.999 0.025 -14.516 509 HA GLN 68 HA GLN 68 18.163 -0.025 -12.560 510 1HB GLN 68 1HB GLN 68 19.269 -0.468 -14.699 511 2HB GLN 68 2HB GLN 68 18.534 0.969 -15.394 512 1HG GLN 68 1HG GLN 68 20.091 1.440 -12.952 513 2HG GLN 68 2HG GLN 68 21.022 0.859 -14.332 514 1HE2 GLN 68 2HE2 GLN 68 20.976 2.089 -16.278 515 2HE2 GLN 68 1HE2 GLN 68 20.640 3.783 -16.237 516 H ALA 69 H ALA 69 18.666 2.005 -11.657 517 HA ALA 69 HA ALA 69 16.954 4.260 -12.437 518 1HB ALA 69 1HB ALA 69 15.954 2.966 -10.518 519 2HB ALA 69 2HB ALA 69 17.343 3.476 -9.559 520 3HB ALA 69 3HB ALA 69 16.238 4.680 -10.218 521 H ASN 70 H ASN 70 18.103 6.052 -12.703 522 HA ASN 70 HA ASN 70 19.919 7.450 -12.826 523 1HB ASN 70 1HB ASN 70 19.185 7.085 -9.979 524 2HB ASN 70 2HB ASN 70 20.683 7.954 -10.303 525 1HD2 ASN 70 2HD2 ASN 70 18.168 8.921 -9.189 526 2HD2 ASN 70 1HD2 ASN 70 17.651 10.205 -10.221 527 H GLY 71 H GLY 71 20.760 4.726 -13.197 528 1HA GLY 71 1HA GLY 71 22.987 4.062 -13.717 529 2HA GLY 71 2HA GLY 71 23.563 5.054 -12.390 530 H TYR 72 H TYR 72 21.220 3.686 -10.768 531 HA TYR 72 HA TYR 72 22.911 1.483 -9.880 532 1HB TYR 72 1HB TYR 72 20.513 2.870 -8.683 533 2HB TYR 72 2HB TYR 72 21.192 1.398 -7.994 534 HD1 TYR 72 HD1 TYR 72 23.997 1.679 -8.014 535 HD2 TYR 72 HD2 TYR 72 21.078 4.720 -7.433 536 HE1 TYR 72 HE1 TYR 72 25.646 3.016 -6.772 537 HE2 TYR 72 HE2 TYR 72 22.719 6.064 -6.190 538 HH TYR 72 HH TYR 72 25.375 4.959 -4.861 539 H SER 73 H SER 73 22.535 -0.546 -10.458 540 HA SER 73 HA SER 73 20.304 -1.268 -12.072 541 1HB SER 73 1HB SER 73 22.270 -3.117 -10.704 542 2HB SER 73 2HB SER 73 21.273 -3.481 -12.112 543 HG SER 73 HG SER 73 22.541 -2.248 -13.354 544 H PHE 74 H PHE 74 18.386 -2.108 -11.523 545 HA PHE 74 HA PHE 74 17.905 -2.674 -8.681 546 1HB PHE 74 1HB PHE 74 16.234 -1.624 -10.907 547 2HB PHE 74 2HB PHE 74 15.423 -2.593 -9.681 548 HD1 PHE 74 HD1 PHE 74 18.049 0.067 -9.676 549 HD2 PHE 74 HD2 PHE 74 14.355 -1.342 -8.101 550 HE1 PHE 74 HE1 PHE 74 17.927 2.037 -8.206 551 HE2 PHE 74 HE2 PHE 74 14.226 0.627 -6.630 552 HZ PHE 74 HZ PHE 74 16.014 2.319 -6.683 553 H ILE 75 H ILE 75 18.948 -4.580 -10.979 554 HA ILE 75 HA ILE 75 16.849 -6.589 -10.931 555 HB ILE 75 HB ILE 75 18.091 -6.207 -13.029 556 1HG1 ILE 75 1HG1 ILE 75 18.805 -8.656 -13.379 557 2HG1 ILE 75 2HG1 ILE 75 18.316 -8.903 -11.705 558 1HG2 ILE 75 1HG2 ILE 75 20.269 -5.622 -12.068 559 2HG2 ILE 75 2HG2 ILE 75 20.492 -7.298 -11.566 560 3HG2 ILE 75 3HG2 ILE 75 20.408 -6.894 -13.280 561 1HD1 ILE 75 1HD1 ILE 75 16.551 -7.898 -13.925 562 2HD1 ILE 75 2HD1 ILE 75 16.550 -9.528 -13.249 563 3HD1 ILE 75 3HD1 ILE 75 16.062 -8.159 -12.250 564 H ASN 76 H ASN 76 16.744 -8.163 -9.461 565 HA ASN 76 HA ASN 76 17.268 -9.582 -7.774 566 1HB ASN 76 1HB ASN 76 19.996 -9.354 -9.052 567 2HB ASN 76 2HB ASN 76 19.670 -10.417 -7.686 568 1HD2 ASN 76 2HD2 ASN 76 20.166 -10.554 -10.798 569 2HD2 ASN 76 1HD2 ASN 76 19.088 -11.819 -11.270 570 H ILE 77 H ILE 77 16.688 -7.694 -6.435 571 HA ILE 77 HA ILE 77 18.871 -7.104 -4.589 572 HB ILE 77 HB ILE 77 18.161 -4.721 -4.417 573 1HG1 ILE 77 1HG1 ILE 77 16.881 -5.034 -7.116 574 2HG1 ILE 77 2HG1 ILE 77 15.932 -5.279 -5.652 575 1HG2 ILE 77 1HG2 ILE 77 20.163 -5.391 -5.650 576 2HG2 ILE 77 2HG2 ILE 77 19.200 -5.565 -7.118 577 3HG2 ILE 77 3HG2 ILE 77 19.399 -3.977 -6.376 578 1HD1 ILE 77 1HD1 ILE 77 17.451 -2.776 -6.349 579 2HD1 ILE 77 2HD1 ILE 77 15.712 -3.011 -6.526 580 3HD1 ILE 77 3HD1 ILE 77 16.445 -3.024 -4.921 581 H GLU 78 H GLU 78 18.065 -6.171 -2.529 582 HA GLU 78 HA GLU 78 15.697 -7.591 -1.701 583 1HB GLU 78 1HB GLU 78 17.744 -5.927 -0.253 584 2HB GLU 78 2HB GLU 78 16.299 -6.524 0.553 585 1HG GLU 78 1HG GLU 78 17.195 -8.797 -0.585 586 2HG GLU 78 2HG GLU 78 18.718 -7.953 -0.308 587 H HIS 79 H HIS 79 13.893 -6.652 -0.633 588 HA HIS 79 HA HIS 79 12.652 -4.559 -1.943 589 1HB HIS 79 1HB HIS 79 11.555 -6.288 -0.488 590 2HB HIS 79 2HB HIS 79 12.093 -5.368 0.914 591 HD1 HIS 79 HD1 HIS 79 9.503 -5.454 -1.724 592 HD2 HIS 79 HD2 HIS 79 10.797 -2.846 1.241 593 HE1 HIS 79 HE1 HIS 79 7.677 -3.740 -1.490 594 HE2 HIS 79 HE2 HIS 79 8.511 -2.135 0.263 595 H GLY 80 H GLY 80 14.099 -4.396 1.330 596 1HA GLY 80 1HA GLY 80 13.676 -1.678 1.794 597 2HA GLY 80 2HA GLY 80 14.964 -2.628 2.518 598 H GLN 81 H GLN 81 16.100 -3.202 -0.202 599 HA GLN 81 HA GLN 81 17.867 -0.961 -0.303 600 1HB GLN 81 1HB GLN 81 18.266 -3.490 -0.910 601 2HB GLN 81 2HB GLN 81 17.723 -2.982 -2.504 602 1HG GLN 81 1HG GLN 81 19.997 -2.739 -2.680 603 2HG GLN 81 2HG GLN 81 19.496 -1.109 -2.228 604 1HE2 GLN 81 2HE2 GLN 81 20.485 -4.174 -0.740 605 2HE2 GLN 81 1HE2 GLN 81 21.434 -3.457 0.514 606 H ALA 82 H ALA 82 15.225 -2.135 -2.333 607 HA ALA 82 HA ALA 82 15.553 -0.287 -4.437 608 1HB ALA 82 1HB ALA 82 14.239 -2.312 -4.697 609 2HB ALA 82 2HB ALA 82 13.066 -1.723 -3.519 610 3HB ALA 82 3HB ALA 82 13.259 -0.893 -5.063 611 H VAL 83 H VAL 83 13.641 -0.169 -1.459 612 HA VAL 83 HA VAL 83 12.337 2.286 -2.077 613 HB VAL 83 HB VAL 83 12.809 1.190 0.697 614 1HG1 VAL 83 1HG1 VAL 83 11.918 3.492 0.500 615 2HG1 VAL 83 2HG1 VAL 83 10.547 2.851 -0.407 616 3HG1 VAL 83 3HG1 VAL 83 10.793 2.376 1.273 617 1HG2 VAL 83 1HG2 VAL 83 10.769 0.386 -1.364 618 2HG2 VAL 83 2HG2 VAL 83 11.874 -0.644 -0.453 619 3HG2 VAL 83 3HG2 VAL 83 10.519 0.135 0.364 620 H SER 84 H SER 84 15.216 1.449 -0.197 621 HA SER 84 HA SER 84 15.746 3.980 0.867 622 1HB SER 84 1HB SER 84 17.614 1.711 0.160 623 2HB SER 84 2HB SER 84 18.108 3.140 1.068 624 HG SER 84 HG SER 84 17.001 2.465 2.768 625 H LEU 85 H LEU 85 16.885 2.491 -2.153 626 HA LEU 85 HA LEU 85 18.550 4.616 -2.946 627 1HB LEU 85 1HB LEU 85 17.181 2.410 -4.458 628 2HB LEU 85 2HB LEU 85 18.152 3.615 -5.282 629 HG LEU 85 HG LEU 85 19.120 1.692 -3.164 630 1HD1 LEU 85 1HD1 LEU 85 18.675 0.732 -5.411 631 2HD1 LEU 85 2HD1 LEU 85 19.829 1.883 -6.086 632 3HD1 LEU 85 3HD1 LEU 85 20.372 0.664 -4.933 633 1HD2 LEU 85 1HD2 LEU 85 20.522 3.921 -4.625 634 2HD2 LEU 85 2HD2 LEU 85 20.347 3.708 -2.883 635 3HD2 LEU 85 3HD2 LEU 85 21.372 2.610 -3.806 636 H LEU 86 H LEU 86 15.172 3.879 -3.746 637 HA LEU 86 HA LEU 86 14.811 6.021 -5.537 638 1HB LEU 86 1HB LEU 86 12.960 4.266 -3.974 639 2HB LEU 86 2HB LEU 86 12.321 5.640 -4.857 640 HG LEU 86 HG LEU 86 13.913 3.383 -6.080 641 1HD1 LEU 86 1HD1 LEU 86 11.582 2.848 -5.237 642 2HD1 LEU 86 2HD1 LEU 86 10.992 3.970 -6.462 643 3HD1 LEU 86 3HD1 LEU 86 11.896 2.535 -6.944 644 1HD2 LEU 86 1HD2 LEU 86 12.591 5.821 -7.249 645 2HD2 LEU 86 2HD2 LEU 86 14.285 5.346 -7.357 646 3HD2 LEU 86 3HD2 LEU 86 13.053 4.418 -8.211 647 H LYS 87 H LYS 87 14.297 5.761 -2.055 648 HA LYS 87 HA LYS 87 12.999 8.256 -1.749 649 1HB LYS 87 1HB LYS 87 14.478 6.494 0.198 650 2HB LYS 87 2HB LYS 87 13.643 7.965 0.680 651 1HG LYS 87 1HG LYS 87 11.986 6.173 -0.918 652 2HG LYS 87 2HG LYS 87 12.554 5.445 0.585 653 1HD LYS 87 1HD LYS 87 11.754 7.652 1.678 654 2HD LYS 87 2HD LYS 87 10.834 7.869 0.189 655 1HE LYS 87 1HE LYS 87 9.331 6.799 1.613 656 2HE LYS 87 2HE LYS 87 9.966 5.490 0.617 657 1HZ LYS 87 1HZ LYS 87 11.504 4.938 2.407 658 2HZ LYS 87 2HZ LYS 87 10.863 6.177 3.363 659 3HZ LYS 87 3HZ LYS 87 9.900 4.854 2.935 660 H THR 88 H THR 88 16.423 7.317 -1.490 661 HA THR 88 HA THR 88 17.280 9.829 -0.482 662 HB THR 88 HB THR 88 18.545 7.777 -0.112 663 HG1 THR 88 HG1 THR 88 19.997 9.296 0.071 664 1HG2 THR 88 1HG2 THR 88 19.911 6.791 -1.864 665 2HG2 THR 88 2HG2 THR 88 18.194 6.651 -2.243 666 3HG2 THR 88 3HG2 THR 88 19.179 7.870 -3.053 667 H PHE 89 H PHE 89 16.789 8.663 -3.767 668 HA PHE 89 HA PHE 89 18.493 10.208 -5.246 669 1HB PHE 89 1HB PHE 89 15.651 9.404 -5.799 670 2HB PHE 89 2HB PHE 89 16.587 10.314 -6.976 671 HD1 PHE 89 HD1 PHE 89 19.282 8.972 -6.583 672 HD2 PHE 89 HD2 PHE 89 15.337 7.393 -6.896 673 HE1 PHE 89 HE1 PHE 89 20.197 6.864 -7.438 674 HE2 PHE 89 HE2 PHE 89 16.255 5.280 -7.755 675 HZ PHE 89 HZ PHE 89 18.685 5.013 -8.026 676 H GLN 90 H GLN 90 17.816 12.061 -6.753 677 HA GLN 90 HA GLN 90 17.098 14.301 -5.039 678 1HB GLN 90 1HB GLN 90 18.319 14.217 -7.807 679 2HB GLN 90 2HB GLN 90 18.126 15.662 -6.823 680 1HG GLN 90 1HG GLN 90 19.541 14.476 -5.078 681 2HG GLN 90 2HG GLN 90 19.926 13.312 -6.345 682 1HE2 GLN 90 2HE2 GLN 90 21.112 14.007 -8.156 683 2HE2 GLN 90 1HE2 GLN 90 22.076 15.440 -8.104 684 H ASN 91 H ASN 91 16.390 15.777 -7.827 685 HA ASN 91 HA ASN 91 13.567 15.470 -7.446 686 1HB ASN 91 1HB ASN 91 15.212 17.145 -9.343 687 2HB ASN 91 2HB ASN 91 13.451 17.174 -9.308 688 1HD2 ASN 91 2HD2 ASN 91 16.364 18.092 -7.699 689 2HD2 ASN 91 1HD2 ASN 91 15.634 19.097 -6.498 690 H THR 92 H THR 92 15.315 15.474 -10.581 691 HA THR 92 HA THR 92 13.316 13.747 -11.711 692 HB THR 92 HB THR 92 15.383 13.854 -13.569 693 HG1 THR 92 HG1 THR 92 16.367 15.743 -13.412 694 1HG2 THR 92 1HG2 THR 92 13.441 16.105 -13.436 695 2HG2 THR 92 2HG2 THR 92 14.016 15.186 -14.827 696 3HG2 THR 92 3HG2 THR 92 12.860 14.463 -13.710 697 H VAL 93 H VAL 93 13.313 11.623 -11.693 698 HA VAL 93 HA VAL 93 15.820 10.191 -11.080 699 HB VAL 93 HB VAL 93 13.017 9.141 -10.673 700 1HG1 VAL 93 1HG1 VAL 93 14.829 7.475 -10.923 701 2HG1 VAL 93 2HG1 VAL 93 15.648 8.202 -9.539 702 3HG1 VAL 93 3HG1 VAL 93 14.071 7.441 -9.331 703 1HG2 VAL 93 1HG2 VAL 93 13.430 11.130 -9.261 704 2HG2 VAL 93 2HG2 VAL 93 13.240 9.651 -8.321 705 3HG2 VAL 93 3HG2 VAL 93 14.847 10.326 -8.585 706 H GLU 94 H GLU 94 16.680 9.190 -12.790 707 HA GLU 94 HA GLU 94 15.032 8.591 -15.107 708 1HB GLU 94 1HB GLU 94 17.998 8.199 -14.648 709 2HB GLU 94 2HB GLU 94 17.167 7.973 -16.181 710 1HG GLU 94 1HG GLU 94 16.672 10.286 -16.352 711 2HG GLU 94 2HG GLU 94 17.191 10.583 -14.694 712 H LEU 95 H LEU 95 13.924 6.778 -15.141 713 HA LEU 95 HA LEU 95 15.083 4.361 -13.907 714 1HB LEU 95 1HB LEU 95 12.171 5.006 -14.350 715 2HB LEU 95 2HB LEU 95 12.813 3.603 -13.515 716 HG LEU 95 HG LEU 95 13.618 6.247 -12.441 717 1HD1 LEU 95 1HD1 LEU 95 10.818 5.171 -12.143 718 2HD1 LEU 95 2HD1 LEU 95 11.520 6.463 -11.167 719 3HD1 LEU 95 3HD1 LEU 95 11.288 6.694 -12.900 720 1HD2 LEU 95 1HD2 LEU 95 14.311 4.063 -11.478 721 2HD2 LEU 95 2HD2 LEU 95 13.452 5.102 -10.342 722 3HD2 LEU 95 3HD2 LEU 95 12.620 3.743 -11.096 723 H ILE 96 H ILE 96 14.906 2.400 -14.952 724 HA ILE 96 HA ILE 96 14.286 2.554 -17.828 725 HB ILE 96 HB ILE 96 15.891 0.367 -16.502 726 1HG1 ILE 96 1HG1 ILE 96 17.034 2.511 -16.092 727 2HG1 ILE 96 2HG1 ILE 96 17.931 1.512 -17.232 728 1HG2 ILE 96 1HG2 ILE 96 14.836 0.064 -18.783 729 2HG2 ILE 96 2HG2 ILE 96 15.958 1.298 -19.360 730 3HG2 ILE 96 3HG2 ILE 96 16.576 -0.210 -18.684 731 1HD1 ILE 96 1HD1 ILE 96 16.174 3.157 -18.720 732 2HD1 ILE 96 2HD1 ILE 96 17.013 4.169 -17.544 733 3HD1 ILE 96 3HD1 ILE 96 17.938 3.179 -18.675 734 H ILE 97 H ILE 97 12.464 1.573 -18.460 735 HA ILE 97 HA ILE 97 11.458 -0.691 -16.851 736 HB ILE 97 HB ILE 97 9.155 0.040 -17.321 737 1HG1 ILE 97 1HG1 ILE 97 10.353 2.637 -18.293 738 2HG1 ILE 97 2HG1 ILE 97 9.792 1.373 -19.382 739 1HG2 ILE 97 1HG2 ILE 97 11.023 1.827 -15.821 740 2HG2 ILE 97 2HG2 ILE 97 9.300 2.192 -15.892 741 3HG2 ILE 97 3HG2 ILE 97 9.850 0.663 -15.204 742 1HD1 ILE 97 1HD1 ILE 97 7.555 1.562 -18.209 743 2HD1 ILE 97 2HD1 ILE 97 8.182 3.041 -17.483 744 3HD1 ILE 97 3HD1 ILE 97 8.035 2.914 -19.236 745 H VAL 98 H VAL 98 10.070 -2.186 -18.008 746 HA VAL 98 HA VAL 98 10.237 -2.109 -20.919 747 HB VAL 98 HB VAL 98 11.191 -4.548 -19.413 748 1HG1 VAL 98 1HG1 VAL 98 11.296 -3.789 -22.329 749 2HG1 VAL 98 2HG1 VAL 98 12.023 -5.234 -21.627 750 3HG1 VAL 98 3HG1 VAL 98 10.272 -5.025 -21.600 751 1HG2 VAL 98 1HG2 VAL 98 12.757 -2.665 -19.080 752 2HG2 VAL 98 2HG2 VAL 98 13.457 -3.972 -20.035 753 3HG2 VAL 98 3HG2 VAL 98 12.897 -2.501 -20.831 754 H ARG 99 H ARG 99 8.802 -3.545 -21.969 755 HA ARG 99 HA ARG 99 6.618 -4.528 -20.249 756 1HB ARG 99 1HB ARG 99 6.394 -3.957 -23.201 757 2HB ARG 99 2HB ARG 99 5.094 -4.167 -22.040 758 1HG ARG 99 1HG ARG 99 7.007 -1.901 -21.723 759 2HG ARG 99 2HG ARG 99 5.711 -1.800 -22.912 760 1HD ARG 99 1HD ARG 99 5.341 -2.339 -19.967 761 2HD ARG 99 2HD ARG 99 5.103 -0.788 -20.756 762 HE ARG 99 HE ARG 99 3.141 -1.575 -21.728 763 1HH1 ARG 99 1HH1 ARG 99 4.662 -4.190 -19.905 764 2HH1 ARG 99 2HH1 ARG 99 3.217 -5.135 -19.869 765 1HH2 ARG 99 1HH2 ARG 99 1.288 -2.862 -21.667 766 2HH2 ARG 99 2HH2 ARG 99 1.321 -4.395 -20.862 767 H GLU 100 H GLU 100 6.610 -6.696 -20.026 768 HA GLU 100 HA GLU 100 8.192 -8.382 -21.683 769 1HB GLU 100 1HB GLU 100 6.001 -9.225 -19.776 770 2HB GLU 100 2HB GLU 100 7.343 -10.206 -20.355 771 1HG GLU 100 1HG GLU 100 8.289 -9.638 -18.408 772 2HG GLU 100 2HG GLU 100 8.683 -8.141 -19.250 773 H VAL 101 H VAL 101 7.592 -9.825 -23.274 774 HA VAL 101 HA VAL 101 4.840 -9.524 -24.313 775 HB VAL 101 HB VAL 101 6.921 -10.369 -26.267 776 1HG1 VAL 101 1HG1 VAL 101 4.550 -10.085 -26.832 777 2HG1 VAL 101 2HG1 VAL 101 4.670 -8.374 -26.423 778 3HG1 VAL 101 3HG1 VAL 101 5.594 -9.024 -27.777 779 1HG2 VAL 101 1HG2 VAL 101 6.822 -7.526 -25.245 780 2HG2 VAL 101 2HG2 VAL 101 8.223 -8.597 -25.312 781 3HG2 VAL 101 3HG2 VAL 101 7.510 -7.985 -26.803 782 H SER 102 H SER 102 3.867 -11.375 -25.275 783 HA SER 102 HA SER 102 5.233 -13.923 -25.097 784 1HB SER 102 1HB SER 102 3.372 -13.010 -23.035 785 2HB SER 102 2HB SER 102 2.875 -14.543 -23.751 786 HG SER 102 HG SER 102 4.772 -15.456 -23.124 787 H SER 103 H SER 103 3.188 -15.662 -25.393 788 HA SER 103 HA SER 103 2.442 -15.319 -28.092 789 1HB SER 103 1HB SER 103 1.137 -17.230 -26.151 790 2HB SER 103 2HB SER 103 1.320 -17.415 -27.895 791 HG SER 103 HG SER 103 2.959 -18.240 -25.997 792 1H THR 301 1H THR 301 0.482 -5.596 6.606 793 2H THR 301 2H THR 301 1.246 -4.904 7.979 794 3H THR 301 3H THR 301 1.001 -6.600 7.895 795 HA THR 301 HA THR 301 3.283 -5.851 7.457 796 HB THR 301 HB THR 301 3.469 -7.329 5.429 797 HG1 THR 301 HG1 THR 301 0.641 -7.382 5.646 798 1HG2 THR 301 1HG2 THR 301 1.559 -8.499 7.426 799 2HG2 THR 301 2HG2 THR 301 2.780 -9.331 6.462 800 3HG2 THR 301 3HG2 THR 301 3.272 -8.245 7.763 801 H GLY 302 H GLY 302 1.074 -5.248 4.715 802 1HA GLY 302 1HA GLY 302 1.019 -3.459 3.245 803 2HA GLY 302 2HA GLY 302 2.322 -2.713 4.158 804 H TRP 303 H TRP 303 1.577 -5.135 1.706 805 HA TRP 303 HA TRP 303 4.276 -5.677 1.019 806 1HB TRP 303 1HB TRP 303 3.235 -6.618 -1.108 807 2HB TRP 303 2HB TRP 303 2.707 -7.336 0.408 808 HD1 TRP 303 HD1 TRP 303 0.166 -6.978 1.121 809 HE1 TRP 303 HE1 TRP 303 -1.907 -6.196 -0.189 810 HE3 TRP 303 HE3 TRP 303 2.492 -5.008 -2.987 811 HZ2 TRP 303 HZ2 TRP 303 -2.480 -4.922 -2.639 812 HZ3 TRP 303 HZ3 TRP 303 1.106 -4.032 -4.771 813 HH2 TRP 303 HH2 TRP 303 -1.330 -3.992 -4.599 814 H GLU 304 H GLU 304 2.010 -3.203 0.044 815 HA GLU 304 HA GLU 304 3.807 -2.325 -2.097 816 1HB GLU 304 1HB GLU 304 1.984 -0.711 -2.635 817 2HB GLU 304 2HB GLU 304 1.484 -2.395 -2.725 818 1HG GLU 304 1HG GLU 304 0.340 -2.241 -0.637 819 2HG GLU 304 2HG GLU 304 0.998 -0.632 -0.338 820 H THR 305 H THR 305 5.073 -0.569 -1.938 821 HA THR 305 HA THR 305 4.778 1.143 0.450 822 HB THR 305 HB THR 305 7.413 0.534 -0.885 823 HG1 THR 305 HG1 THR 305 6.242 -0.794 1.332 824 1HG2 THR 305 1HG2 THR 305 8.175 0.999 1.529 825 2HG2 THR 305 2HG2 THR 305 7.742 2.361 0.493 826 3HG2 THR 305 3HG2 THR 305 6.603 1.779 1.706 827 H TRP 306 H TRP 306 4.163 3.113 -0.131 828 HA TRP 306 HA TRP 306 4.553 4.100 -2.804 829 1HB TRP 306 1HB TRP 306 3.354 5.350 -0.327 830 2HB TRP 306 2HB TRP 306 3.426 6.160 -1.889 831 HD1 TRP 306 HD1 TRP 306 1.476 3.557 0.033 832 HE1 TRP 306 HE1 TRP 306 -0.533 2.784 -1.380 833 HE3 TRP 306 HE3 TRP 306 2.700 5.779 -4.406 834 HZ2 TRP 306 HZ2 TRP 306 -1.473 3.079 -4.024 835 HZ3 TRP 306 HZ3 TRP 306 1.193 5.485 -6.328 836 HH2 TRP 306 HH2 TRP 306 -0.851 4.161 -6.140 837 H VAL 307 H VAL 307 6.574 4.670 -3.342 838 HA VAL 307 HA VAL 307 8.358 5.915 -1.445 839 HB VAL 307 HB VAL 307 9.933 6.028 -3.387 840 1HG1 VAL 307 1HG1 VAL 307 9.771 4.090 -1.807 841 2HG1 VAL 307 2HG1 VAL 307 8.755 3.283 -3.002 842 3HG1 VAL 307 3HG1 VAL 307 10.423 3.696 -3.398 843 1HG2 VAL 307 1HG2 VAL 307 8.042 6.150 -5.078 844 2HG2 VAL 307 2HG2 VAL 307 9.394 5.092 -5.482 845 3HG2 VAL 307 3HG2 VAL 307 7.887 4.405 -4.876 Start of MODEL 5 1 1H GLY 1 1H GLY 1 31.206 -12.062 -22.919 2 2H GLY 1 2H GLY 1 30.791 -10.424 -23.008 3 3H GLY 1 3H GLY 1 32.417 -10.888 -23.067 4 1HA GLY 1 1HA GLY 1 31.661 -10.304 -25.269 5 2HA GLY 1 2HA GLY 1 32.056 -12.014 -25.174 6 H SER 2 H SER 2 30.039 -10.135 -26.680 7 HA SER 2 HA SER 2 27.695 -11.893 -26.314 8 1HB SER 2 1HB SER 2 27.291 -9.519 -25.689 9 2HB SER 2 2HB SER 2 27.714 -9.042 -27.333 10 HG SER 2 HG SER 2 25.460 -10.428 -26.400 11 H HIS 3 H HIS 3 26.639 -12.665 -28.142 12 HA HIS 3 HA HIS 3 28.294 -12.750 -30.542 13 1HB HIS 3 1HB HIS 3 27.195 -14.792 -29.366 14 2HB HIS 3 2HB HIS 3 25.723 -14.263 -30.174 15 HD1 HIS 3 HD1 HIS 3 29.058 -15.806 -30.826 16 HD2 HIS 3 HD2 HIS 3 25.685 -14.637 -32.956 17 HE1 HIS 3 HE1 HIS 3 29.315 -16.829 -33.111 18 HE2 HIS 3 HE2 HIS 3 27.290 -16.063 -34.398 19 H MET 4 H MET 4 27.237 -12.589 -32.678 20 HA MET 4 HA MET 4 25.741 -10.170 -32.872 21 1HB MET 4 1HB MET 4 27.433 -11.340 -34.548 22 2HB MET 4 2HB MET 4 25.951 -12.043 -35.185 23 1HG MET 4 1HG MET 4 26.465 -10.077 -36.435 24 2HG MET 4 2HG MET 4 25.037 -9.759 -35.452 25 1HE MET 4 1HE MET 4 28.769 -9.321 -35.959 26 2HE MET 4 2HE MET 4 29.246 -8.034 -34.853 27 3HE MET 4 3HE MET 4 28.938 -9.658 -34.236 28 H GLY 5 H GLY 5 23.605 -9.846 -33.081 29 1HA GLY 5 1HA GLY 5 21.401 -10.425 -33.761 30 2HA GLY 5 2HA GLY 5 21.858 -12.121 -33.702 31 H HIS 6 H HIS 6 21.729 -9.340 -31.475 32 HA HIS 6 HA HIS 6 20.858 -11.144 -29.344 33 1HB HIS 6 1HB HIS 6 22.744 -9.293 -29.219 34 2HB HIS 6 2HB HIS 6 21.374 -8.241 -28.880 35 HD1 HIS 6 HD1 HIS 6 23.631 -8.936 -26.802 36 HD2 HIS 6 HD2 HIS 6 19.896 -10.746 -27.018 37 HE1 HIS 6 HE1 HIS 6 23.198 -9.861 -24.504 38 HE2 HIS 6 HE2 HIS 6 20.962 -11.010 -24.677 39 H GLU 7 H GLU 7 19.708 -8.497 -31.319 40 HA GLU 7 HA GLU 7 17.526 -7.651 -29.784 41 1HB GLU 7 1HB GLU 7 17.751 -7.757 -32.798 42 2HB GLU 7 2HB GLU 7 16.605 -6.783 -31.886 43 1HG GLU 7 1HG GLU 7 19.569 -6.491 -31.538 44 2HG GLU 7 2HG GLU 7 18.678 -5.622 -32.787 45 H LEU 8 H LEU 8 15.796 -8.742 -29.112 46 HA LEU 8 HA LEU 8 14.922 -11.089 -30.659 47 1HB LEU 8 1HB LEU 8 15.608 -11.610 -28.394 48 2HB LEU 8 2HB LEU 8 14.517 -10.401 -27.744 49 HG LEU 8 HG LEU 8 12.615 -11.747 -28.741 50 1HD1 LEU 8 1HD1 LEU 8 13.977 -13.022 -30.339 51 2HD1 LEU 8 2HD1 LEU 8 14.775 -13.836 -28.993 52 3HD1 LEU 8 3HD1 LEU 8 13.049 -14.074 -29.271 53 1HD2 LEU 8 1HD2 LEU 8 14.351 -12.978 -26.605 54 2HD2 LEU 8 2HD2 LEU 8 13.058 -11.801 -26.374 55 3HD2 LEU 8 3HD2 LEU 8 12.677 -13.433 -26.927 56 H ALA 9 H ALA 9 12.995 -9.233 -28.280 57 HA ALA 9 HA ALA 9 11.435 -7.825 -30.161 58 1HB ALA 9 1HB ALA 9 10.792 -10.208 -30.713 59 2HB ALA 9 2HB ALA 9 10.017 -10.272 -29.131 60 3HB ALA 9 3HB ALA 9 9.459 -9.116 -30.341 61 H LYS 10 H LYS 10 12.605 -7.386 -27.567 62 HA LYS 10 HA LYS 10 10.337 -7.184 -25.744 63 1HB LYS 10 1HB LYS 10 13.299 -6.845 -25.469 64 2HB LYS 10 2HB LYS 10 12.233 -6.116 -24.274 65 1HG LYS 10 1HG LYS 10 11.181 -8.466 -24.111 66 2HG LYS 10 2HG LYS 10 12.662 -9.008 -24.903 67 1HD LYS 10 1HD LYS 10 13.983 -7.965 -23.113 68 2HD LYS 10 2HD LYS 10 12.492 -7.457 -22.318 69 1HE LYS 10 1HE LYS 10 13.083 -9.409 -21.190 70 2HE LYS 10 2HE LYS 10 11.866 -9.948 -22.347 71 1HZ LYS 10 1HZ LYS 10 14.801 -10.150 -22.756 72 2HZ LYS 10 2HZ LYS 10 13.806 -11.421 -22.255 73 3HZ LYS 10 3HZ LYS 10 13.602 -10.744 -23.791 74 H GLN 11 H GLN 11 10.571 -4.971 -24.358 75 HA GLN 11 HA GLN 11 10.725 -2.730 -26.262 76 1HB GLN 11 1HB GLN 11 8.338 -3.707 -25.626 77 2HB GLN 11 2HB GLN 11 8.575 -2.712 -24.195 78 1HG GLN 11 1HG GLN 11 7.723 -1.044 -25.388 79 2HG GLN 11 2HG GLN 11 9.267 -1.011 -26.235 80 1HE2 GLN 11 2HE2 GLN 11 6.204 -2.807 -26.296 81 2HE2 GLN 11 1HE2 GLN 11 6.055 -2.833 -28.016 82 H GLU 12 H GLU 12 12.628 -1.949 -25.386 83 HA GLU 12 HA GLU 12 12.703 -1.335 -22.526 84 1HB GLU 12 1HB GLU 12 14.636 -2.441 -23.767 85 2HB GLU 12 2HB GLU 12 14.903 -0.884 -24.541 86 1HG GLU 12 1HG GLU 12 14.753 -0.987 -21.575 87 2HG GLU 12 2HG GLU 12 16.208 -1.582 -22.373 88 H ILE 13 H ILE 13 12.410 0.686 -21.737 89 HA ILE 13 HA ILE 13 12.846 2.995 -23.456 90 HB ILE 13 HB ILE 13 10.608 3.948 -22.833 91 1HG1 ILE 13 1HG1 ILE 13 10.024 1.069 -22.101 92 2HG1 ILE 13 2HG1 ILE 13 10.115 2.413 -20.967 93 1HG2 ILE 13 1HG2 ILE 13 11.153 2.990 -25.055 94 2HG2 ILE 13 2HG2 ILE 13 10.495 1.447 -24.510 95 3HG2 ILE 13 3HG2 ILE 13 9.446 2.859 -24.634 96 1HD1 ILE 13 1HD1 ILE 13 8.200 2.580 -23.234 97 2HD1 ILE 13 2HD1 ILE 13 7.815 1.549 -21.856 98 3HD1 ILE 13 3HD1 ILE 13 8.099 3.272 -21.615 99 H ARG 14 H ARG 14 12.775 5.036 -22.289 100 HA ARG 14 HA ARG 14 13.387 4.705 -19.418 101 1HB ARG 14 1HB ARG 14 15.189 5.452 -21.182 102 2HB ARG 14 2HB ARG 14 14.401 7.016 -21.029 103 1HG ARG 14 1HG ARG 14 14.734 6.466 -18.440 104 2HG ARG 14 2HG ARG 14 16.081 5.538 -19.101 105 1HD ARG 14 1HD ARG 14 15.550 8.487 -19.361 106 2HD ARG 14 2HD ARG 14 16.925 7.694 -18.594 107 HE ARG 14 HE ARG 14 16.645 8.334 -21.355 108 1HH1 ARG 14 1HH1 ARG 14 18.056 5.947 -19.194 109 2HH1 ARG 14 2HH1 ARG 14 19.294 5.497 -20.317 110 1HH2 ARG 14 1HH2 ARG 14 18.278 7.724 -22.807 111 2HH2 ARG 14 2HH2 ARG 14 19.419 6.501 -22.358 112 H VAL 15 H VAL 15 12.779 6.412 -17.976 113 HA VAL 15 HA VAL 15 10.888 8.394 -19.010 114 HB VAL 15 HB VAL 15 9.334 7.916 -17.093 115 1HG1 VAL 15 1HG1 VAL 15 8.898 7.207 -19.428 116 2HG1 VAL 15 2HG1 VAL 15 9.631 5.648 -19.055 117 3HG1 VAL 15 3HG1 VAL 15 8.158 6.153 -18.224 118 1HG2 VAL 15 1HG2 VAL 15 10.986 6.589 -15.784 119 2HG2 VAL 15 2HG2 VAL 15 9.422 5.799 -15.976 120 3HG2 VAL 15 3HG2 VAL 15 10.796 5.284 -16.954 121 H ARG 16 H ARG 16 10.766 10.281 -17.824 122 HA ARG 16 HA ARG 16 12.749 10.552 -15.659 123 1HB ARG 16 1HB ARG 16 12.839 11.934 -17.882 124 2HB ARG 16 2HB ARG 16 11.565 12.885 -17.129 125 1HG ARG 16 1HG ARG 16 12.986 13.916 -15.748 126 2HG ARG 16 2HG ARG 16 13.837 12.421 -15.359 127 1HD ARG 16 1HD ARG 16 15.318 12.653 -17.127 128 2HD ARG 16 2HD ARG 16 14.241 13.720 -18.025 129 HE ARG 16 HE ARG 16 16.129 14.467 -15.963 130 1HH1 ARG 16 1HH1 ARG 16 13.301 15.475 -17.794 131 2HH1 ARG 16 2HH1 ARG 16 13.591 17.160 -17.526 132 1HH2 ARG 16 1HH2 ARG 16 16.479 16.683 -15.625 133 2HH2 ARG 16 2HH2 ARG 16 15.384 17.842 -16.301 134 H VAL 17 H VAL 17 11.897 10.607 -13.682 135 HA VAL 17 HA VAL 17 9.172 11.685 -13.339 136 HB VAL 17 HB VAL 17 10.644 9.911 -11.389 137 1HG1 VAL 17 1HG1 VAL 17 8.826 11.236 -10.442 138 2HG1 VAL 17 2HG1 VAL 17 7.723 10.609 -11.667 139 3HG1 VAL 17 3HG1 VAL 17 8.417 9.520 -10.465 140 1HG2 VAL 17 1HG2 VAL 17 10.317 8.770 -13.571 141 2HG2 VAL 17 2HG2 VAL 17 9.419 8.026 -12.248 142 3HG2 VAL 17 3HG2 VAL 17 8.583 9.049 -13.416 143 H GLU 18 H GLU 18 8.985 13.593 -12.389 144 HA GLU 18 HA GLU 18 11.235 14.659 -10.846 145 1HB GLU 18 1HB GLU 18 8.743 16.129 -11.714 146 2HB GLU 18 2HB GLU 18 10.258 16.826 -11.155 147 1HG GLU 18 1HG GLU 18 10.524 17.123 -13.384 148 2HG GLU 18 2HG GLU 18 11.215 15.508 -13.236 149 H LYS 19 H LYS 19 11.180 14.357 -8.720 150 HA LYS 19 HA LYS 19 8.775 13.639 -7.348 151 1HB LYS 19 1HB LYS 19 11.626 14.074 -6.539 152 2HB LYS 19 2HB LYS 19 10.378 13.933 -5.307 153 1HG LYS 19 1HG LYS 19 9.723 11.776 -6.605 154 2HG LYS 19 2HG LYS 19 11.360 11.893 -7.249 155 1HD LYS 19 1HD LYS 19 11.191 12.234 -4.339 156 2HD LYS 19 2HD LYS 19 10.658 10.653 -4.908 157 1HE LYS 19 1HE LYS 19 12.744 10.187 -5.894 158 2HE LYS 19 2HE LYS 19 13.256 11.872 -5.799 159 1HZ LYS 19 1HZ LYS 19 13.306 11.666 -3.380 160 2HZ LYS 19 2HZ LYS 19 12.857 10.040 -3.496 161 3HZ LYS 19 3HZ LYS 19 14.347 10.553 -4.114 162 H ASP 20 H ASP 20 7.298 14.970 -6.595 163 HA ASP 20 HA ASP 20 7.967 17.366 -5.184 164 1HB ASP 20 1HB ASP 20 6.996 17.503 -7.999 165 2HB ASP 20 2HB ASP 20 6.342 18.668 -6.851 166 HA PRO 21 HA PRO 21 7.731 16.909 -3.251 167 1HB PRO 21 1HB PRO 21 6.529 15.501 -1.074 168 2HB PRO 21 2HB PRO 21 6.771 17.240 -1.235 169 1HG PRO 21 1HG PRO 21 4.310 15.966 -1.207 170 2HG PRO 21 2HG PRO 21 4.611 17.593 -1.837 171 1HD PRO 21 1HD PRO 21 4.368 15.002 -3.313 172 2HD PRO 21 2HD PRO 21 3.768 16.615 -3.756 173 H GLU 22 H GLU 22 6.094 14.018 -4.250 174 HA GLU 22 HA GLU 22 8.560 12.500 -3.757 175 1HB GLU 22 1HB GLU 22 5.741 11.627 -3.092 176 2HB GLU 22 2HB GLU 22 7.099 10.514 -3.172 177 1HG GLU 22 1HG GLU 22 8.205 12.145 -1.484 178 2HG GLU 22 2HG GLU 22 6.549 12.679 -1.198 179 H LEU 23 H LEU 23 8.065 10.146 -4.882 180 HA LEU 23 HA LEU 23 8.089 10.668 -7.653 181 1HB LEU 23 1HB LEU 23 7.862 8.123 -6.057 182 2HB LEU 23 2HB LEU 23 7.858 8.126 -7.812 183 HG LEU 23 HG LEU 23 10.091 9.666 -7.155 184 1HD1 LEU 23 1HD1 LEU 23 9.784 8.788 -4.808 185 2HD1 LEU 23 2HD1 LEU 23 10.183 7.193 -5.449 186 3HD1 LEU 23 3HD1 LEU 23 11.361 8.502 -5.545 187 1HD2 LEU 23 1HD2 LEU 23 9.921 8.048 -8.993 188 2HD2 LEU 23 2HD2 LEU 23 11.386 7.812 -8.041 189 3HD2 LEU 23 3HD2 LEU 23 10.013 6.726 -7.829 190 H GLY 24 H GLY 24 5.643 9.063 -5.605 191 1HA GLY 24 1HA GLY 24 3.312 9.544 -5.830 192 2HA GLY 24 2HA GLY 24 3.593 9.967 -7.509 193 H PHE 25 H PHE 25 4.890 7.037 -6.059 194 HA PHE 25 HA PHE 25 2.723 5.378 -6.916 195 1HB PHE 25 1HB PHE 25 3.834 4.180 -8.701 196 2HB PHE 25 2HB PHE 25 3.809 5.892 -9.096 197 HD1 PHE 25 HD1 PHE 25 5.946 3.131 -7.902 198 HD2 PHE 25 HD2 PHE 25 5.817 7.094 -9.448 199 HE1 PHE 25 HE1 PHE 25 8.378 3.064 -8.267 200 HE2 PHE 25 HE2 PHE 25 8.249 7.032 -9.816 201 HZ PHE 25 HZ PHE 25 9.532 5.016 -9.226 202 H SER 26 H SER 26 2.881 3.265 -6.157 203 HA SER 26 HA SER 26 4.959 2.878 -4.136 204 1HB SER 26 1HB SER 26 3.360 0.882 -3.561 205 2HB SER 26 2HB SER 26 2.901 2.525 -3.121 206 HG SER 26 HG SER 26 1.317 1.102 -4.296 207 H ILE 27 H ILE 27 6.007 0.834 -3.882 208 HA ILE 27 HA ILE 27 6.163 -0.766 -6.357 209 HB ILE 27 HB ILE 27 8.558 -1.171 -5.857 210 1HG1 ILE 27 1HG1 ILE 27 8.375 1.129 -3.914 211 2HG1 ILE 27 2HG1 ILE 27 8.291 -0.550 -3.392 212 1HG2 ILE 27 1HG2 ILE 27 7.807 1.727 -6.216 213 2HG2 ILE 27 2HG2 ILE 27 9.375 1.017 -6.607 214 3HG2 ILE 27 3HG2 ILE 27 7.933 0.513 -7.489 215 1HD1 ILE 27 1HD1 ILE 27 10.566 0.168 -5.125 216 2HD1 ILE 27 2HD1 ILE 27 10.564 0.845 -3.496 217 3HD1 ILE 27 3HD1 ILE 27 10.492 -0.901 -3.725 218 H SER 28 H SER 28 6.695 -3.009 -6.056 219 HA SER 28 HA SER 28 6.559 -4.036 -3.328 220 1HB SER 28 1HB SER 28 4.217 -3.944 -4.024 221 2HB SER 28 2HB SER 28 4.600 -4.843 -5.491 222 HG SER 28 HG SER 28 4.631 -5.738 -2.813 223 H GLY 29 H GLY 29 6.735 -6.515 -3.381 224 1HA GLY 29 1HA GLY 29 7.646 -8.468 -4.319 225 2HA GLY 29 2HA GLY 29 8.241 -7.518 -5.672 226 H GLY 30 H GLY 30 10.357 -8.006 -5.690 227 1HA GLY 30 1HA GLY 30 12.540 -7.369 -5.005 228 2HA GLY 30 2HA GLY 30 11.931 -7.143 -3.371 229 H VAL 31 H VAL 31 14.265 -8.608 -4.158 230 HA VAL 31 HA VAL 31 13.657 -11.415 -4.009 231 HB VAL 31 HB VAL 31 16.336 -10.052 -3.657 232 1HG1 VAL 31 1HG1 VAL 31 15.620 -12.883 -4.407 233 2HG1 VAL 31 2HG1 VAL 31 17.251 -12.213 -4.397 234 3HG1 VAL 31 3HG1 VAL 31 16.346 -12.352 -2.890 235 1HG2 VAL 31 1HG2 VAL 31 14.721 -10.650 -6.065 236 2HG2 VAL 31 2HG2 VAL 31 15.887 -9.359 -5.773 237 3HG2 VAL 31 3HG2 VAL 31 16.450 -10.986 -6.158 238 H GLY 32 H GLY 32 12.633 -11.921 -2.133 239 1HA GLY 32 1HA GLY 32 12.933 -12.836 0.042 240 2HA GLY 32 2HA GLY 32 14.244 -11.703 0.307 241 H GLY 33 H GLY 33 11.832 -9.853 -1.040 242 1HA GLY 33 1HA GLY 33 11.223 -8.606 1.448 243 2HA GLY 33 2HA GLY 33 10.540 -8.197 -0.115 244 H ARG 34 H ARG 34 8.516 -7.883 0.875 245 HA ARG 34 HA ARG 34 7.196 -9.952 2.323 246 1HB ARG 34 1HB ARG 34 6.033 -7.510 0.971 247 2HB ARG 34 2HB ARG 34 5.222 -8.511 2.169 248 1HG ARG 34 1HG ARG 34 6.110 -7.329 3.822 249 2HG ARG 34 2HG ARG 34 7.736 -7.672 3.236 250 1HD ARG 34 1HD ARG 34 7.383 -5.768 1.589 251 2HD ARG 34 2HD ARG 34 5.950 -5.355 2.528 252 HE ARG 34 HE ARG 34 7.303 -4.546 4.205 253 1HH1 ARG 34 1HH1 ARG 34 9.296 -6.300 1.900 254 2HH1 ARG 34 2HH1 ARG 34 10.783 -5.741 2.590 255 1HH2 ARG 34 1HH2 ARG 34 9.266 -3.832 5.089 256 2HH2 ARG 34 2HH2 ARG 34 10.766 -4.349 4.392 257 H GLY 35 H GLY 35 7.396 -9.094 -1.065 258 1HA GLY 35 1HA GLY 35 6.962 -11.066 -2.551 259 2HA GLY 35 2HA GLY 35 5.445 -11.241 -1.682 260 H ASN 36 H ASN 36 4.536 -11.155 -3.872 261 HA ASN 36 HA ASN 36 3.457 -8.593 -4.420 262 1HB ASN 36 1HB ASN 36 4.396 -8.257 -6.673 263 2HB ASN 36 2HB ASN 36 5.650 -8.202 -5.438 264 1HD2 ASN 36 2HD2 ASN 36 6.916 -10.161 -5.117 265 2HD2 ASN 36 1HD2 ASN 36 7.235 -11.182 -6.473 266 HA PRO 37 HA PRO 37 0.713 -11.618 -6.276 267 1HB PRO 37 1HB PRO 37 -1.502 -10.124 -6.418 268 2HB PRO 37 2HB PRO 37 -0.851 -10.673 -4.873 269 1HG PRO 37 1HG PRO 37 -0.813 -7.975 -6.082 270 2HG PRO 37 2HG PRO 37 -0.772 -8.446 -4.376 271 1HD PRO 37 1HD PRO 37 1.429 -7.700 -6.040 272 2HD PRO 37 2HD PRO 37 1.479 -8.246 -4.354 273 H PHE 38 H PHE 38 2.507 -10.396 -8.126 274 HA PHE 38 HA PHE 38 0.707 -9.948 -10.425 275 1HB PHE 38 1HB PHE 38 3.329 -8.632 -9.739 276 2HB PHE 38 2HB PHE 38 2.706 -8.649 -11.387 277 HD1 PHE 38 HD1 PHE 38 2.061 -7.479 -7.953 278 HD2 PHE 38 HD2 PHE 38 0.939 -7.218 -12.049 279 HE1 PHE 38 HE1 PHE 38 0.683 -5.506 -7.445 280 HE2 PHE 38 HE2 PHE 38 -0.440 -5.242 -11.549 281 HZ PHE 38 HZ PHE 38 -0.569 -4.385 -9.244 282 H ARG 39 H ARG 39 4.084 -10.877 -9.686 283 HA ARG 39 HA ARG 39 3.913 -12.867 -11.859 284 1HB ARG 39 1HB ARG 39 6.278 -11.351 -10.754 285 2HB ARG 39 2HB ARG 39 6.439 -12.722 -11.843 286 1HG ARG 39 1HG ARG 39 4.915 -10.207 -12.486 287 2HG ARG 39 2HG ARG 39 6.580 -10.526 -12.973 288 1HD ARG 39 1HD ARG 39 5.599 -11.313 -14.845 289 2HD ARG 39 2HD ARG 39 5.386 -12.768 -13.872 290 HE ARG 39 HE ARG 39 3.224 -10.873 -13.656 291 1HH1 ARG 39 1HH1 ARG 39 4.457 -13.633 -15.452 292 2HH1 ARG 39 2HH1 ARG 39 2.894 -14.094 -16.037 293 1HH2 ARG 39 1HH2 ARG 39 1.188 -11.500 -14.439 294 2HH2 ARG 39 2HH2 ARG 39 1.047 -12.888 -15.465 295 HA PRO 40 HA PRO 40 4.623 -15.864 -8.643 296 1HB PRO 40 1HB PRO 40 4.874 -18.088 -10.157 297 2HB PRO 40 2HB PRO 40 3.335 -17.260 -9.915 298 1HG PRO 40 1HG PRO 40 5.033 -17.388 -12.309 299 2HG PRO 40 2HG PRO 40 3.310 -17.011 -12.172 300 1HD PRO 40 1HD PRO 40 5.512 -15.189 -12.470 301 2HD PRO 40 2HD PRO 40 3.783 -14.811 -12.353 302 H ASP 41 H ASP 41 6.767 -16.541 -11.437 303 HA ASP 41 HA ASP 41 8.850 -17.450 -9.641 304 1HB ASP 41 1HB ASP 41 8.210 -18.466 -11.930 305 2HB ASP 41 2HB ASP 41 9.153 -17.146 -12.616 306 H ASP 42 H ASP 42 7.993 -14.398 -10.859 307 HA ASP 42 HA ASP 42 10.784 -13.470 -10.859 308 1HB ASP 42 1HB ASP 42 9.169 -12.960 -12.801 309 2HB ASP 42 2HB ASP 42 8.410 -11.820 -11.693 310 H ASP 43 H ASP 43 11.529 -12.509 -9.093 311 HA ASP 43 HA ASP 43 9.599 -11.334 -7.196 312 1HB ASP 43 1HB ASP 43 11.404 -11.694 -5.489 313 2HB ASP 43 2HB ASP 43 10.782 -13.181 -6.198 314 H GLY 44 H GLY 44 10.433 -9.845 -9.416 315 1HA GLY 44 1HA GLY 44 12.581 -8.080 -8.599 316 2HA GLY 44 2HA GLY 44 11.624 -7.952 -10.065 317 H ILE 45 H ILE 45 11.509 -5.675 -9.670 318 HA ILE 45 HA ILE 45 9.670 -4.920 -7.489 319 HB ILE 45 HB ILE 45 11.415 -3.003 -9.034 320 1HG1 ILE 45 1HG1 ILE 45 12.876 -4.643 -7.912 321 2HG1 ILE 45 2HG1 ILE 45 12.998 -3.058 -7.155 322 1HG2 ILE 45 1HG2 ILE 45 9.420 -2.163 -7.785 323 2HG2 ILE 45 2HG2 ILE 45 10.180 -2.738 -6.301 324 3HG2 ILE 45 3HG2 ILE 45 10.957 -1.478 -7.259 325 1HD1 ILE 45 1HD1 ILE 45 11.135 -5.123 -6.067 326 2HD1 ILE 45 2HD1 ILE 45 12.852 -5.147 -5.667 327 3HD1 ILE 45 3HD1 ILE 45 11.870 -3.741 -5.256 328 H PHE 46 H PHE 46 7.656 -4.405 -8.065 329 HA PHE 46 HA PHE 46 7.171 -3.458 -10.822 330 1HB PHE 46 1HB PHE 46 5.301 -5.137 -9.142 331 2HB PHE 46 2HB PHE 46 5.055 -4.640 -10.813 332 HD1 PHE 46 HD1 PHE 46 7.363 -6.600 -8.652 333 HD2 PHE 46 HD2 PHE 46 5.746 -6.010 -12.546 334 HE1 PHE 46 HE1 PHE 46 8.485 -8.649 -9.426 335 HE2 PHE 46 HE2 PHE 46 6.863 -8.059 -13.323 336 HZ PHE 46 HZ PHE 46 8.233 -9.382 -11.763 337 H VAL 47 H VAL 47 5.685 -1.821 -11.134 338 HA VAL 47 HA VAL 47 5.169 -0.156 -8.817 339 HB VAL 47 HB VAL 47 4.464 0.405 -11.703 340 1HG1 VAL 47 1HG1 VAL 47 4.761 2.202 -9.301 341 2HG1 VAL 47 2HG1 VAL 47 4.547 2.768 -10.958 342 3HG1 VAL 47 3HG1 VAL 47 3.274 1.832 -10.173 343 1HG2 VAL 47 1HG2 VAL 47 6.884 -0.054 -11.399 344 2HG2 VAL 47 2HG2 VAL 47 6.543 1.606 -11.893 345 3HG2 VAL 47 3HG2 VAL 47 6.947 1.249 -10.213 346 H THR 48 H THR 48 3.659 -1.718 -7.885 347 HA THR 48 HA THR 48 1.383 -2.824 -8.674 348 HB THR 48 HB THR 48 2.029 -2.935 -6.384 349 HG1 THR 48 HG1 THR 48 0.055 -2.941 -5.546 350 1HG2 THR 48 1HG2 THR 48 1.087 -0.130 -5.916 351 2HG2 THR 48 2HG2 THR 48 1.968 -1.196 -4.822 352 3HG2 THR 48 3HG2 THR 48 2.777 -0.517 -6.234 353 H ARG 49 H ARG 49 1.338 0.667 -7.749 354 HA ARG 49 HA ARG 49 -0.683 1.181 -9.728 355 1HB ARG 49 1HB ARG 49 -2.435 1.931 -8.216 356 2HB ARG 49 2HB ARG 49 -2.059 0.240 -7.923 357 1HG ARG 49 1HG ARG 49 -0.567 1.049 -6.036 358 2HG ARG 49 2HG ARG 49 -1.336 2.623 -6.246 359 1HD ARG 49 1HD ARG 49 -3.497 0.947 -6.134 360 2HD ARG 49 2HD ARG 49 -2.369 0.161 -5.030 361 HE ARG 49 HE ARG 49 -2.603 1.924 -3.569 362 1HH1 ARG 49 1HH1 ARG 49 -4.085 2.802 -6.633 363 2HH1 ARG 49 2HH1 ARG 49 -4.841 4.220 -5.991 364 1HH2 ARG 49 1HH2 ARG 49 -3.606 3.789 -2.753 365 2HH2 ARG 49 2HH2 ARG 49 -4.569 4.778 -3.799 366 H VAL 50 H VAL 50 -1.612 3.532 -9.278 367 HA VAL 50 HA VAL 50 0.571 5.274 -8.350 368 HB VAL 50 HB VAL 50 -0.971 5.816 -10.890 369 1HG1 VAL 50 1HG1 VAL 50 -0.011 7.751 -9.681 370 2HG1 VAL 50 2HG1 VAL 50 1.587 7.023 -9.849 371 3HG1 VAL 50 3HG1 VAL 50 0.687 7.514 -11.284 372 1HG2 VAL 50 1HG2 VAL 50 0.420 3.781 -11.141 373 2HG2 VAL 50 2HG2 VAL 50 0.957 5.114 -12.162 374 3HG2 VAL 50 3HG2 VAL 50 1.837 4.726 -10.683 375 H GLN 51 H GLN 51 -0.084 7.295 -7.531 376 HA GLN 51 HA GLN 51 -2.967 7.480 -6.971 377 1HB GLN 51 1HB GLN 51 -0.528 8.208 -5.439 378 2HB GLN 51 2HB GLN 51 -1.945 9.228 -5.223 379 1HG GLN 51 1HG GLN 51 -3.244 7.409 -4.448 380 2HG GLN 51 2HG GLN 51 -2.018 6.241 -4.939 381 1HE2 GLN 51 2HE2 GLN 51 -3.353 7.295 -2.316 382 2HE2 GLN 51 1HE2 GLN 51 -2.011 7.389 -1.232 383 HA PRO 52 HA PRO 52 -2.161 11.950 -8.317 384 1HB PRO 52 1HB PRO 52 0.289 12.966 -8.661 385 2HB PRO 52 2HB PRO 52 -0.424 12.813 -7.051 386 1HG PRO 52 1HG PRO 52 1.570 11.045 -8.414 387 2HG PRO 52 2HG PRO 52 1.557 11.634 -6.741 388 1HD PRO 52 1HD PRO 52 0.697 9.142 -7.479 389 2HD PRO 52 2HD PRO 52 0.099 10.009 -6.051 390 H GLU 53 H GLU 53 -2.939 11.767 -10.342 391 HA GLU 53 HA GLU 53 -1.550 10.399 -12.421 392 1HB GLU 53 1HB GLU 53 -4.057 12.065 -12.336 393 2HB GLU 53 2HB GLU 53 -3.423 11.434 -13.850 394 1HG GLU 53 1HG GLU 53 -3.775 9.214 -13.207 395 2HG GLU 53 2HG GLU 53 -3.960 9.644 -11.508 396 H GLY 54 H GLY 54 0.460 11.734 -12.110 397 1HA GLY 54 1HA GLY 54 0.596 13.689 -14.231 398 2HA GLY 54 2HA GLY 54 0.825 14.375 -12.632 399 HA PRO 55 HA PRO 55 5.109 13.334 -12.487 400 1HB PRO 55 1HB PRO 55 5.429 11.507 -10.423 401 2HB PRO 55 2HB PRO 55 5.348 13.259 -10.229 402 1HG PRO 55 1HG PRO 55 3.199 11.211 -9.883 403 2HG PRO 55 2HG PRO 55 3.548 12.648 -8.904 404 1HD PRO 55 1HD PRO 55 1.540 12.634 -10.668 405 2HD PRO 55 2HD PRO 55 2.540 14.083 -10.429 406 H ALA 56 H ALA 56 4.063 10.114 -11.362 407 HA ALA 56 HA ALA 56 5.264 8.982 -13.811 408 1HB ALA 56 1HB ALA 56 6.232 8.627 -11.349 409 2HB ALA 56 2HB ALA 56 5.066 7.305 -11.381 410 3HB ALA 56 3HB ALA 56 6.334 7.391 -12.603 411 H SER 57 H SER 57 2.650 9.687 -13.992 412 HA SER 57 HA SER 57 1.096 7.235 -13.561 413 1HB SER 57 1HB SER 57 0.198 9.503 -12.841 414 2HB SER 57 2HB SER 57 0.055 9.891 -14.556 415 HG SER 57 HG SER 57 -1.838 8.985 -14.292 416 H LYS 58 H LYS 58 1.388 9.710 -16.107 417 HA LYS 58 HA LYS 58 0.577 7.888 -18.160 418 1HB LYS 58 1HB LYS 58 1.809 10.642 -18.336 419 2HB LYS 58 2HB LYS 58 1.123 9.756 -19.691 420 1HG LYS 58 1HG LYS 58 -1.056 9.942 -18.856 421 2HG LYS 58 2HG LYS 58 -0.492 10.392 -17.246 422 1HD LYS 58 1HD LYS 58 0.440 12.488 -18.264 423 2HD LYS 58 2HD LYS 58 -0.378 12.047 -19.763 424 1HE LYS 58 1HE LYS 58 -1.789 13.577 -18.610 425 2HE LYS 58 2HE LYS 58 -2.521 11.979 -18.468 426 1HZ LYS 58 1HZ LYS 58 -0.805 13.187 -16.371 427 2HZ LYS 58 2HZ LYS 58 -2.493 13.303 -16.379 428 3HZ LYS 58 3HZ LYS 58 -1.750 11.790 -16.245 429 H LEU 59 H LEU 59 3.530 8.127 -16.541 430 HA LEU 59 HA LEU 59 5.119 7.503 -18.913 431 1HB LEU 59 1HB LEU 59 5.782 8.325 -16.110 432 2HB LEU 59 2HB LEU 59 6.994 7.553 -17.116 433 HG LEU 59 HG LEU 59 5.541 9.920 -18.205 434 1HD1 LEU 59 1HD1 LEU 59 7.666 9.984 -16.083 435 2HD1 LEU 59 2HD1 LEU 59 7.397 11.327 -17.196 436 3HD1 LEU 59 3HD1 LEU 59 6.109 10.813 -16.106 437 1HD2 LEU 59 1HD2 LEU 59 7.187 8.494 -19.493 438 2HD2 LEU 59 2HD2 LEU 59 7.516 10.226 -19.462 439 3HD2 LEU 59 3HD2 LEU 59 8.435 9.136 -18.425 440 H LEU 60 H LEU 60 4.482 6.188 -15.640 441 HA LEU 60 HA LEU 60 5.523 3.600 -16.550 442 1HB LEU 60 1HB LEU 60 4.877 4.562 -13.765 443 2HB LEU 60 2HB LEU 60 5.603 3.017 -14.170 444 HG LEU 60 HG LEU 60 6.929 5.600 -14.939 445 1HD1 LEU 60 1HD1 LEU 60 6.383 5.388 -12.425 446 2HD1 LEU 60 2HD1 LEU 60 7.615 4.127 -12.428 447 3HD1 LEU 60 3HD1 LEU 60 8.035 5.771 -12.909 448 1HD2 LEU 60 1HD2 LEU 60 7.796 2.745 -14.597 449 2HD2 LEU 60 2HD2 LEU 60 7.875 3.751 -16.042 450 3HD2 LEU 60 3HD2 LEU 60 8.946 4.080 -14.680 451 H GLN 61 H GLN 61 4.357 1.679 -16.224 452 HA GLN 61 HA GLN 61 1.455 2.053 -16.244 453 1HB GLN 61 1HB GLN 61 3.050 -0.428 -16.909 454 2HB GLN 61 2HB GLN 61 1.340 -0.163 -17.221 455 1HG GLN 61 1HG GLN 61 2.015 1.742 -18.712 456 2HG GLN 61 2HG GLN 61 3.679 1.187 -18.532 457 1HE2 GLN 61 2HE2 GLN 61 3.716 -1.378 -18.795 458 2HE2 GLN 61 1HE2 GLN 61 2.997 -1.922 -20.269 459 HA PRO 62 HA PRO 62 1.086 0.429 -12.088 460 1HB PRO 62 1HB PRO 62 -1.552 -0.656 -12.855 461 2HB PRO 62 2HB PRO 62 -1.144 0.542 -11.626 462 1HG PRO 62 1HG PRO 62 -2.383 1.224 -13.904 463 2HG PRO 62 2HG PRO 62 -1.201 2.293 -13.125 464 1HD PRO 62 1HD PRO 62 -0.862 0.497 -15.495 465 2HD PRO 62 2HD PRO 62 -0.253 2.143 -15.229 466 H GLY 63 H GLY 63 2.757 -1.164 -12.705 467 1HA GLY 63 1HA GLY 63 2.833 -3.546 -11.835 468 2HA GLY 63 2HA GLY 63 1.657 -3.881 -13.096 469 H ASP 64 H ASP 64 4.540 -1.837 -13.267 470 HA ASP 64 HA ASP 64 5.467 -3.404 -15.563 471 1HB ASP 64 1HB ASP 64 5.211 -0.721 -15.263 472 2HB ASP 64 2HB ASP 64 6.890 -0.922 -14.768 473 H LYS 65 H LYS 65 8.247 -2.588 -15.316 474 HA LYS 65 HA LYS 65 9.128 -3.776 -12.801 475 1HB LYS 65 1HB LYS 65 8.850 -5.637 -14.459 476 2HB LYS 65 2HB LYS 65 10.065 -4.856 -15.462 477 1HG LYS 65 1HG LYS 65 11.725 -5.129 -13.721 478 2HG LYS 65 2HG LYS 65 10.514 -5.834 -12.650 479 1HD LYS 65 1HD LYS 65 10.314 -7.768 -13.978 480 2HD LYS 65 2HD LYS 65 11.150 -7.017 -15.338 481 1HE LYS 65 1HE LYS 65 12.594 -8.621 -14.210 482 2HE LYS 65 2HE LYS 65 13.225 -6.984 -14.044 483 1HZ LYS 65 1HZ LYS 65 12.211 -6.905 -11.821 484 2HZ LYS 65 2HZ LYS 65 11.731 -8.518 -11.989 485 3HZ LYS 65 3HZ LYS 65 13.376 -8.124 -11.956 486 H ILE 66 H ILE 66 10.835 -2.711 -12.016 487 HA ILE 66 HA ILE 66 12.159 -0.745 -13.709 488 HB ILE 66 HB ILE 66 12.390 -1.251 -10.723 489 1HG1 ILE 66 1HG1 ILE 66 11.193 1.009 -10.663 490 2HG1 ILE 66 2HG1 ILE 66 10.848 0.751 -12.369 491 1HG2 ILE 66 1HG2 ILE 66 13.554 0.975 -12.403 492 2HG2 ILE 66 2HG2 ILE 66 13.492 0.978 -10.640 493 3HG2 ILE 66 3HG2 ILE 66 14.445 -0.240 -11.487 494 1HD1 ILE 66 1HD1 ILE 66 10.105 -1.314 -10.346 495 2HD1 ILE 66 2HD1 ILE 66 9.087 0.102 -10.611 496 3HD1 ILE 66 3HD1 ILE 66 9.417 -1.009 -11.941 497 H ILE 67 H ILE 67 13.897 -1.308 -14.811 498 HA ILE 67 HA ILE 67 15.453 -3.636 -14.017 499 HB ILE 67 HB ILE 67 15.967 -1.953 -16.462 500 1HG1 ILE 67 1HG1 ILE 67 13.610 -2.556 -16.574 501 2HG1 ILE 67 2HG1 ILE 67 14.518 -3.537 -17.720 502 1HG2 ILE 67 1HG2 ILE 67 17.626 -3.662 -15.701 503 2HG2 ILE 67 2HG2 ILE 67 16.400 -4.894 -15.995 504 3HG2 ILE 67 3HG2 ILE 67 17.002 -3.912 -17.331 505 1HD1 ILE 67 1HD1 ILE 67 13.999 -4.626 -15.004 506 2HD1 ILE 67 2HD1 ILE 67 12.687 -4.594 -16.182 507 3HD1 ILE 67 3HD1 ILE 67 14.177 -5.465 -16.545 508 H GLN 68 H GLN 68 15.893 -0.154 -14.486 509 HA GLN 68 HA GLN 68 18.270 -0.269 -12.809 510 1HB GLN 68 1HB GLN 68 18.297 0.384 -15.713 511 2HB GLN 68 2HB GLN 68 19.310 1.364 -14.658 512 1HG GLN 68 1HG GLN 68 19.885 -1.170 -13.817 513 2HG GLN 68 2HG GLN 68 19.632 -1.398 -15.546 514 1HE2 GLN 68 2HE2 GLN 68 20.567 1.091 -16.439 515 2HE2 GLN 68 1HE2 GLN 68 22.273 1.157 -16.177 516 H ALA 69 H ALA 69 18.841 1.708 -11.872 517 HA ALA 69 HA ALA 69 17.027 3.973 -12.330 518 1HB ALA 69 1HB ALA 69 16.319 2.585 -10.335 519 2HB ALA 69 2HB ALA 69 17.825 3.086 -9.565 520 3HB ALA 69 3HB ALA 69 16.621 4.293 -10.017 521 H ASN 70 H ASN 70 18.266 5.655 -12.907 522 HA ASN 70 HA ASN 70 20.091 7.013 -13.191 523 1HB ASN 70 1HB ASN 70 19.862 6.622 -10.227 524 2HB ASN 70 2HB ASN 70 21.139 7.638 -10.891 525 1HD2 ASN 70 2HD2 ASN 70 18.431 7.973 -9.393 526 2HD2 ASN 70 1HD2 ASN 70 17.714 9.315 -10.212 527 H GLY 71 H GLY 71 20.717 4.138 -13.449 528 1HA GLY 71 1HA GLY 71 22.822 3.304 -14.198 529 2HA GLY 71 2HA GLY 71 23.618 4.371 -13.059 530 H TYR 72 H TYR 72 21.252 3.118 -11.186 531 HA TYR 72 HA TYR 72 23.021 1.027 -10.185 532 1HB TYR 72 1HB TYR 72 21.320 2.984 -8.977 533 2HB TYR 72 2HB TYR 72 20.716 1.397 -8.516 534 HD1 TYR 72 HD1 TYR 72 23.556 3.717 -8.304 535 HD2 TYR 72 HD2 TYR 72 22.012 -0.059 -7.088 536 HE1 TYR 72 HE1 TYR 72 25.304 3.562 -6.581 537 HE2 TYR 72 HE2 TYR 72 23.757 -0.223 -5.364 538 HH TYR 72 HH TYR 72 25.333 2.050 -4.119 539 H SER 73 H SER 73 22.564 -1.084 -10.407 540 HA SER 73 HA SER 73 20.329 -1.891 -11.996 541 1HB SER 73 1HB SER 73 22.801 -2.933 -11.575 542 2HB SER 73 2HB SER 73 21.834 -3.983 -10.541 543 HG SER 73 HG SER 73 20.457 -4.280 -12.429 544 H PHE 74 H PHE 74 18.361 -2.458 -11.351 545 HA PHE 74 HA PHE 74 17.882 -2.862 -8.485 546 1HB PHE 74 1HB PHE 74 16.277 -1.788 -10.738 547 2HB PHE 74 2HB PHE 74 15.392 -2.699 -9.519 548 HD1 PHE 74 HD1 PHE 74 18.240 -0.293 -9.305 549 HD2 PHE 74 HD2 PHE 74 14.249 -1.245 -8.158 550 HE1 PHE 74 HE1 PHE 74 18.175 1.707 -7.872 551 HE2 PHE 74 HE2 PHE 74 14.179 0.755 -6.729 552 HZ PHE 74 HZ PHE 74 16.144 2.232 -6.582 553 H ILE 75 H ILE 75 18.906 -4.960 -10.478 554 HA ILE 75 HA ILE 75 16.686 -6.872 -10.315 555 HB ILE 75 HB ILE 75 17.721 -6.535 -12.535 556 1HG1 ILE 75 1HG1 ILE 75 18.258 -9.018 -12.929 557 2HG1 ILE 75 2HG1 ILE 75 17.941 -9.226 -11.209 558 1HG2 ILE 75 1HG2 ILE 75 20.035 -6.101 -11.675 559 2HG2 ILE 75 2HG2 ILE 75 20.197 -7.838 -11.420 560 3HG2 ILE 75 3HG2 ILE 75 19.948 -7.204 -13.047 561 1HD1 ILE 75 1HD1 ILE 75 15.994 -8.097 -13.206 562 2HD1 ILE 75 2HD1 ILE 75 15.992 -9.750 -12.593 563 3HD1 ILE 75 3HD1 ILE 75 15.685 -8.403 -11.497 564 H ASN 76 H ASN 76 16.845 -8.806 -9.242 565 HA ASN 76 HA ASN 76 17.531 -10.336 -7.709 566 1HB ASN 76 1HB ASN 76 20.093 -9.493 -8.947 567 2HB ASN 76 2HB ASN 76 20.204 -10.354 -7.417 568 1HD2 ASN 76 2HD2 ASN 76 17.790 -10.791 -9.962 569 2HD2 ASN 76 1HD2 ASN 76 18.227 -12.418 -10.336 570 H ILE 77 H ILE 77 17.451 -7.210 -7.069 571 HA ILE 77 HA ILE 77 18.999 -7.206 -4.614 572 HB ILE 77 HB ILE 77 18.361 -4.833 -4.432 573 1HG1 ILE 77 1HG1 ILE 77 17.164 -5.042 -7.183 574 2HG1 ILE 77 2HG1 ILE 77 16.165 -5.252 -5.747 575 1HG2 ILE 77 1HG2 ILE 77 20.383 -5.564 -5.646 576 2HG2 ILE 77 2HG2 ILE 77 19.455 -5.556 -7.146 577 3HG2 ILE 77 3HG2 ILE 77 19.721 -4.051 -6.265 578 1HD1 ILE 77 1HD1 ILE 77 17.832 -2.820 -6.343 579 2HD1 ILE 77 2HD1 ILE 77 16.100 -2.966 -6.641 580 3HD1 ILE 77 3HD1 ILE 77 16.720 -3.033 -4.990 581 H GLU 78 H GLU 78 18.060 -6.242 -2.657 582 HA GLU 78 HA GLU 78 15.581 -7.603 -1.999 583 1HB GLU 78 1HB GLU 78 17.513 -6.007 -0.298 584 2HB GLU 78 2HB GLU 78 16.091 -6.840 0.325 585 1HG GLU 78 1HG GLU 78 17.807 -8.561 -1.280 586 2HG GLU 78 2HG GLU 78 18.624 -7.887 0.129 587 H HIS 79 H HIS 79 13.693 -6.615 -1.272 588 HA HIS 79 HA HIS 79 12.777 -4.350 -2.508 589 1HB HIS 79 1HB HIS 79 11.583 -6.197 -1.058 590 2HB HIS 79 2HB HIS 79 11.702 -4.973 0.201 591 HD1 HIS 79 HD1 HIS 79 9.308 -4.227 0.348 592 HD2 HIS 79 HD2 HIS 79 10.753 -4.222 -3.550 593 HE1 HIS 79 HE1 HIS 79 7.520 -3.120 -1.034 594 HE2 HIS 79 HE2 HIS 79 8.456 -3.049 -3.371 595 H GLY 80 H GLY 80 13.956 -4.501 0.875 596 1HA GLY 80 1HA GLY 80 13.582 -1.817 1.536 597 2HA GLY 80 2HA GLY 80 14.801 -2.859 2.249 598 H GLN 81 H GLN 81 16.080 -3.244 -0.447 599 HA GLN 81 HA GLN 81 17.867 -1.012 -0.282 600 1HB GLN 81 1HB GLN 81 18.320 -3.516 -0.951 601 2HB GLN 81 2HB GLN 81 17.904 -2.947 -2.562 602 1HG GLN 81 1HG GLN 81 20.230 -2.786 -2.438 603 2HG GLN 81 2HG GLN 81 19.643 -1.138 -2.218 604 1HE2 GLN 81 2HE2 GLN 81 20.796 -3.987 -0.495 605 2HE2 GLN 81 1HE2 GLN 81 21.442 -3.131 0.860 606 H ALA 82 H ALA 82 15.401 -2.120 -2.561 607 HA ALA 82 HA ALA 82 15.893 -0.147 -4.538 608 1HB ALA 82 1HB ALA 82 13.439 -1.799 -3.958 609 2HB ALA 82 2HB ALA 82 13.641 -0.779 -5.382 610 3HB ALA 82 3HB ALA 82 14.715 -2.154 -5.122 611 H VAL 83 H VAL 83 13.847 -0.223 -1.673 612 HA VAL 83 HA VAL 83 12.399 2.156 -2.299 613 HB VAL 83 HB VAL 83 12.824 0.958 0.445 614 1HG1 VAL 83 1HG1 VAL 83 11.890 3.237 0.408 615 2HG1 VAL 83 2HG1 VAL 83 10.583 2.667 -0.630 616 3HG1 VAL 83 3HG1 VAL 83 10.735 2.049 1.014 617 1HG2 VAL 83 1HG2 VAL 83 11.884 -0.571 -1.442 618 2HG2 VAL 83 2HG2 VAL 83 11.067 -0.512 0.119 619 3HG2 VAL 83 3HG2 VAL 83 10.424 0.396 -1.248 620 H SER 84 H SER 84 15.244 1.436 -0.317 621 HA SER 84 HA SER 84 15.605 3.984 0.783 622 1HB SER 84 1HB SER 84 16.772 1.949 1.577 623 2HB SER 84 2HB SER 84 17.737 1.944 0.100 624 HG SER 84 HG SER 84 17.823 3.698 2.285 625 H LEU 85 H LEU 85 16.792 2.586 -2.242 626 HA LEU 85 HA LEU 85 18.462 4.741 -2.975 627 1HB LEU 85 1HB LEU 85 17.146 2.517 -4.500 628 2HB LEU 85 2HB LEU 85 18.038 3.771 -5.342 629 HG LEU 85 HG LEU 85 19.157 1.902 -3.252 630 1HD1 LEU 85 1HD1 LEU 85 18.686 0.861 -5.439 631 2HD1 LEU 85 2HD1 LEU 85 19.701 2.078 -6.212 632 3HD1 LEU 85 3HD1 LEU 85 20.410 0.932 -5.075 633 1HD2 LEU 85 1HD2 LEU 85 20.384 4.185 -4.779 634 2HD2 LEU 85 2HD2 LEU 85 20.313 3.956 -3.032 635 3HD2 LEU 85 3HD2 LEU 85 21.341 2.915 -4.017 636 H LEU 86 H LEU 86 15.106 3.962 -3.821 637 HA LEU 86 HA LEU 86 14.712 6.120 -5.579 638 1HB LEU 86 1HB LEU 86 12.863 4.350 -4.022 639 2HB LEU 86 2HB LEU 86 12.235 5.686 -4.974 640 HG LEU 86 HG LEU 86 13.929 3.447 -6.087 641 1HD1 LEU 86 1HD1 LEU 86 10.948 3.880 -6.204 642 2HD1 LEU 86 2HD1 LEU 86 11.840 2.665 -7.121 643 3HD1 LEU 86 3HD1 LEU 86 11.789 2.580 -5.360 644 1HD2 LEU 86 1HD2 LEU 86 12.446 5.731 -7.374 645 2HD2 LEU 86 2HD2 LEU 86 14.184 5.432 -7.394 646 3HD2 LEU 86 3HD2 LEU 86 13.092 4.350 -8.259 647 H LYS 87 H LYS 87 14.266 5.849 -2.093 648 HA LYS 87 HA LYS 87 12.896 8.321 -1.792 649 1HB LYS 87 1HB LYS 87 14.410 6.615 0.186 650 2HB LYS 87 2HB LYS 87 13.477 8.039 0.633 651 1HG LYS 87 1HG LYS 87 12.111 5.946 -0.960 652 2HG LYS 87 2HG LYS 87 12.464 5.598 0.734 653 1HD LYS 87 1HD LYS 87 11.418 7.956 1.138 654 2HD LYS 87 2HD LYS 87 10.687 7.692 -0.446 655 1HE LYS 87 1HE LYS 87 9.779 5.539 0.395 656 2HE LYS 87 2HE LYS 87 10.414 5.937 1.991 657 1HZ LYS 87 1HZ LYS 87 9.010 7.907 2.014 658 2HZ LYS 87 2HZ LYS 87 8.398 7.517 0.486 659 3HZ LYS 87 3HZ LYS 87 8.079 6.510 1.809 660 H THR 88 H THR 88 16.320 7.428 -1.639 661 HA THR 88 HA THR 88 17.167 9.930 -0.579 662 HB THR 88 HB THR 88 18.496 7.923 -0.267 663 HG1 THR 88 HG1 THR 88 19.798 9.646 -0.192 664 1HG2 THR 88 1HG2 THR 88 19.860 7.039 -2.148 665 2HG2 THR 88 2HG2 THR 88 18.137 6.680 -2.261 666 3HG2 THR 88 3HG2 THR 88 18.837 7.962 -3.249 667 H PHE 89 H PHE 89 16.654 8.769 -3.870 668 HA PHE 89 HA PHE 89 18.266 10.449 -5.334 669 1HB PHE 89 1HB PHE 89 15.486 9.466 -5.945 670 2HB PHE 89 2HB PHE 89 16.455 10.348 -7.115 671 HD1 PHE 89 HD1 PHE 89 19.160 9.084 -6.472 672 HD2 PHE 89 HD2 PHE 89 15.280 7.411 -7.010 673 HE1 PHE 89 HE1 PHE 89 20.173 6.962 -7.187 674 HE2 PHE 89 HE2 PHE 89 16.294 5.289 -7.724 675 HZ PHE 89 HZ PHE 89 18.742 5.062 -7.812 676 H GLN 90 H GLN 90 18.103 12.449 -6.299 677 HA GLN 90 HA GLN 90 16.970 14.494 -4.712 678 1HB GLN 90 1HB GLN 90 18.187 14.610 -7.482 679 2HB GLN 90 2HB GLN 90 17.884 16.002 -6.450 680 1HG GLN 90 1HG GLN 90 19.599 13.732 -5.523 681 2HG GLN 90 2HG GLN 90 20.252 15.023 -6.529 682 1HE2 GLN 90 2HE2 GLN 90 21.644 15.482 -4.729 683 2HE2 GLN 90 1HE2 GLN 90 21.063 16.430 -3.407 684 H ASN 91 H ASN 91 16.154 16.023 -7.464 685 HA ASN 91 HA ASN 91 13.360 15.529 -7.057 686 1HB ASN 91 1HB ASN 91 14.671 17.758 -7.647 687 2HB ASN 91 2HB ASN 91 14.349 17.239 -9.298 688 1HD2 ASN 91 2HD2 ASN 91 12.537 17.933 -10.149 689 2HD2 ASN 91 1HD2 ASN 91 11.126 18.429 -9.284 690 H THR 92 H THR 92 15.237 15.637 -10.106 691 HA THR 92 HA THR 92 13.278 13.953 -11.392 692 HB THR 92 HB THR 92 15.161 14.136 -13.268 693 HG1 THR 92 HG1 THR 92 16.424 15.911 -13.016 694 1HG2 THR 92 1HG2 THR 92 14.270 16.516 -13.747 695 2HG2 THR 92 2HG2 THR 92 13.171 15.139 -13.822 696 3HG2 THR 92 3HG2 THR 92 13.179 16.185 -12.402 697 H VAL 93 H VAL 93 13.432 11.832 -11.868 698 HA VAL 93 HA VAL 93 15.946 10.440 -11.194 699 HB VAL 93 HB VAL 93 13.204 9.283 -10.698 700 1HG1 VAL 93 1HG1 VAL 93 15.120 7.729 -11.060 701 2HG1 VAL 93 2HG1 VAL 93 15.893 8.432 -9.639 702 3HG1 VAL 93 3HG1 VAL 93 14.357 7.580 -9.478 703 1HG2 VAL 93 1HG2 VAL 93 13.580 11.253 -9.250 704 2HG2 VAL 93 2HG2 VAL 93 13.491 9.743 -8.344 705 3HG2 VAL 93 3HG2 VAL 93 15.055 10.497 -8.648 706 H GLU 94 H GLU 94 16.741 9.339 -12.853 707 HA GLU 94 HA GLU 94 15.053 8.784 -15.163 708 1HB GLU 94 1HB GLU 94 18.028 8.384 -14.755 709 2HB GLU 94 2HB GLU 94 17.169 8.158 -16.273 710 1HG GLU 94 1HG GLU 94 16.725 10.455 -16.489 711 2HG GLU 94 2HG GLU 94 17.163 10.778 -14.811 712 H LEU 95 H LEU 95 13.875 6.970 -15.016 713 HA LEU 95 HA LEU 95 15.106 4.589 -13.791 714 1HB LEU 95 1HB LEU 95 12.235 5.438 -14.104 715 2HB LEU 95 2HB LEU 95 12.681 3.793 -13.681 716 HG LEU 95 HG LEU 95 13.756 6.036 -12.031 717 1HD1 LEU 95 1HD1 LEU 95 10.955 4.937 -11.867 718 2HD1 LEU 95 2HD1 LEU 95 11.738 5.874 -10.595 719 3HD1 LEU 95 3HD1 LEU 95 11.428 6.609 -12.168 720 1HD2 LEU 95 1HD2 LEU 95 14.451 3.653 -11.744 721 2HD2 LEU 95 2HD2 LEU 95 13.745 4.386 -10.305 722 3HD2 LEU 95 3HD2 LEU 95 12.787 3.281 -11.290 723 H ILE 96 H ILE 96 15.072 2.635 -14.814 724 HA ILE 96 HA ILE 96 14.414 2.689 -17.683 725 HB ILE 96 HB ILE 96 16.162 0.643 -16.310 726 1HG1 ILE 96 1HG1 ILE 96 17.169 2.871 -15.997 727 2HG1 ILE 96 2HG1 ILE 96 18.113 1.893 -17.117 728 1HG2 ILE 96 1HG2 ILE 96 15.093 0.198 -18.567 729 2HG2 ILE 96 2HG2 ILE 96 16.147 1.463 -19.200 730 3HG2 ILE 96 3HG2 ILE 96 16.844 0.016 -18.474 731 1HD1 ILE 96 1HD1 ILE 96 16.318 3.280 -18.722 732 2HD1 ILE 96 2HD1 ILE 96 16.857 4.448 -17.516 733 3HD1 ILE 96 3HD1 ILE 96 18.039 3.604 -18.517 734 H ILE 97 H ILE 97 12.635 1.619 -18.273 735 HA ILE 97 HA ILE 97 11.763 -0.672 -16.625 736 HB ILE 97 HB ILE 97 9.416 -0.044 -17.106 737 1HG1 ILE 97 1HG1 ILE 97 10.464 2.647 -17.965 738 2HG1 ILE 97 2HG1 ILE 97 10.114 1.378 -19.136 739 1HG2 ILE 97 1HG2 ILE 97 10.683 0.625 -15.023 740 2HG2 ILE 97 2HG2 ILE 97 10.858 2.222 -15.750 741 3HG2 ILE 97 3HG2 ILE 97 9.252 1.586 -15.397 742 1HD1 ILE 97 1HD1 ILE 97 7.993 2.026 -17.183 743 2HD1 ILE 97 2HD1 ILE 97 8.339 3.221 -18.434 744 3HD1 ILE 97 3HD1 ILE 97 7.876 1.581 -18.886 745 H VAL 98 H VAL 98 10.266 -2.151 -17.784 746 HA VAL 98 HA VAL 98 10.473 -2.128 -20.685 747 HB VAL 98 HB VAL 98 11.488 -4.505 -19.118 748 1HG1 VAL 98 1HG1 VAL 98 10.508 -5.057 -21.292 749 2HG1 VAL 98 2HG1 VAL 98 11.582 -3.895 -22.071 750 3HG1 VAL 98 3HG1 VAL 98 12.251 -5.323 -21.283 751 1HG2 VAL 98 1HG2 VAL 98 13.055 -2.395 -20.599 752 2HG2 VAL 98 2HG2 VAL 98 13.049 -2.669 -18.857 753 3HG2 VAL 98 3HG2 VAL 98 13.726 -3.887 -19.938 754 H ARG 99 H ARG 99 9.033 -3.547 -21.721 755 HA ARG 99 HA ARG 99 6.877 -4.587 -19.994 756 1HB ARG 99 1HB ARG 99 6.800 -3.484 -22.808 757 2HB ARG 99 2HB ARG 99 5.462 -4.376 -22.095 758 1HG ARG 99 1HG ARG 99 4.815 -2.230 -21.667 759 2HG ARG 99 2HG ARG 99 5.701 -2.598 -20.186 760 1HD ARG 99 1HD ARG 99 7.729 -1.584 -21.282 761 2HD ARG 99 2HD ARG 99 6.660 -1.026 -22.568 762 HE ARG 99 HE ARG 99 6.870 0.032 -19.888 763 1HH1 ARG 99 1HH1 ARG 99 4.870 -0.140 -22.774 764 2HH1 ARG 99 2HH1 ARG 99 4.005 1.313 -22.396 765 1HH2 ARG 99 1HH2 ARG 99 5.720 1.928 -19.418 766 2HH2 ARG 99 2HH2 ARG 99 4.485 2.480 -20.500 767 H GLU 100 H GLU 100 6.759 -6.776 -19.929 768 HA GLU 100 HA GLU 100 8.440 -8.427 -21.453 769 1HB GLU 100 1HB GLU 100 5.904 -9.179 -19.990 770 2HB GLU 100 2HB GLU 100 7.161 -10.295 -20.511 771 1HG GLU 100 1HG GLU 100 8.725 -8.827 -19.070 772 2HG GLU 100 2HG GLU 100 7.231 -8.259 -18.326 773 H VAL 101 H VAL 101 8.333 -8.945 -23.509 774 HA VAL 101 HA VAL 101 5.732 -8.901 -24.883 775 HB VAL 101 HB VAL 101 8.489 -8.887 -26.130 776 1HG1 VAL 101 1HG1 VAL 101 5.761 -8.336 -27.293 777 2HG1 VAL 101 2HG1 VAL 101 7.291 -8.125 -28.144 778 3HG1 VAL 101 3HG1 VAL 101 6.784 -9.733 -27.627 779 1HG2 VAL 101 1HG2 VAL 101 6.645 -6.606 -25.450 780 2HG2 VAL 101 2HG2 VAL 101 8.304 -6.858 -24.908 781 3HG2 VAL 101 3HG2 VAL 101 7.978 -6.471 -26.597 782 H SER 102 H SER 102 4.930 -10.938 -24.511 783 HA SER 102 HA SER 102 6.608 -13.217 -25.353 784 1HB SER 102 1HB SER 102 4.212 -13.240 -23.500 785 2HB SER 102 2HB SER 102 5.238 -14.618 -23.898 786 HG SER 102 HG SER 102 5.932 -13.781 -21.955 787 H SER 103 H SER 103 5.465 -15.024 -26.372 788 HA SER 103 HA SER 103 3.557 -14.033 -28.334 789 1HB SER 103 1HB SER 103 4.927 -16.726 -28.132 790 2HB SER 103 2HB SER 103 3.969 -16.154 -29.498 791 HG SER 103 HG SER 103 5.565 -14.883 -30.108 792 1H THR 301 1H THR 301 2.568 -2.074 7.603 793 2H THR 301 2H THR 301 2.024 -2.377 9.202 794 3H THR 301 3H THR 301 0.910 -1.882 7.994 795 HA THR 301 HA THR 301 2.469 -4.371 7.888 796 HB THR 301 HB THR 301 0.287 -5.427 8.546 797 HG1 THR 301 HG1 THR 301 -0.400 -2.776 9.283 798 1HG2 THR 301 1HG2 THR 301 1.222 -3.532 10.676 799 2HG2 THR 301 2HG2 THR 301 0.503 -5.130 10.872 800 3HG2 THR 301 3HG2 THR 301 2.126 -4.970 10.202 801 H GLY 302 H GLY 302 2.469 -5.170 5.900 802 1HA GLY 302 1HA GLY 302 0.409 -5.653 4.208 803 2HA GLY 302 2HA GLY 302 0.832 -3.987 3.835 804 H TRP 303 H TRP 303 1.348 -4.778 1.686 805 HA TRP 303 HA TRP 303 4.020 -6.031 1.582 806 1HB TRP 303 1HB TRP 303 3.264 -6.865 -0.730 807 2HB TRP 303 2HB TRP 303 2.625 -7.690 0.685 808 HD1 TRP 303 HD1 TRP 303 0.016 -7.251 1.278 809 HE1 TRP 303 HE1 TRP 303 -1.956 -6.556 -0.224 810 HE3 TRP 303 HE3 TRP 303 2.636 -5.469 -2.733 811 HZ2 TRP 303 HZ2 TRP 303 -2.348 -5.408 -2.769 812 HZ3 TRP 303 HZ3 TRP 303 1.387 -4.592 -4.664 813 HH2 TRP 303 HH2 TRP 303 -1.055 -4.563 -4.680 814 H GLU 304 H GLU 304 1.795 -3.741 0.031 815 HA GLU 304 HA GLU 304 3.729 -2.803 -1.851 816 1HB GLU 304 1HB GLU 304 2.094 -0.980 -2.261 817 2HB GLU 304 2HB GLU 304 1.381 -2.586 -2.363 818 1HG GLU 304 1HG GLU 304 0.304 -2.350 -0.280 819 2HG GLU 304 2HG GLU 304 1.250 -0.920 0.130 820 H THR 305 H THR 305 4.720 -0.735 -1.911 821 HA THR 305 HA THR 305 4.895 0.713 0.631 822 HB THR 305 HB THR 305 7.371 0.034 -0.959 823 HG1 THR 305 HG1 THR 305 6.350 -1.298 1.328 824 1HG2 THR 305 1HG2 THR 305 8.416 0.426 1.323 825 2HG2 THR 305 2HG2 THR 305 7.841 1.843 0.443 826 3HG2 THR 305 3HG2 THR 305 6.884 1.178 1.767 827 H TRP 306 H TRP 306 4.770 2.856 0.343 828 HA TRP 306 HA TRP 306 4.834 3.875 -2.392 829 1HB TRP 306 1HB TRP 306 3.769 4.977 0.203 830 2HB TRP 306 2HB TRP 306 3.898 5.968 -1.249 831 HD1 TRP 306 HD1 TRP 306 1.872 3.124 0.267 832 HE1 TRP 306 HE1 TRP 306 -0.190 2.683 -1.212 833 HE3 TRP 306 HE3 TRP 306 3.052 6.137 -3.690 834 HZ2 TRP 306 HZ2 TRP 306 -1.178 3.505 -3.724 835 HZ3 TRP 306 HZ3 TRP 306 1.497 6.253 -5.589 836 HH2 TRP 306 HH2 TRP 306 -0.575 4.963 -5.605 837 H VAL 307 H VAL 307 6.661 4.671 -3.140 838 HA VAL 307 HA VAL 307 8.744 5.595 -1.354 839 HB VAL 307 HB VAL 307 10.030 5.959 -3.481 840 1HG1 VAL 307 1HG1 VAL 307 10.205 3.887 -2.185 841 2HG1 VAL 307 2HG1 VAL 307 8.862 3.204 -3.102 842 3HG1 VAL 307 3HG1 VAL 307 10.379 3.590 -3.913 843 1HG2 VAL 307 1HG2 VAL 307 7.930 6.273 -4.861 844 2HG2 VAL 307 2HG2 VAL 307 9.179 5.248 -5.567 845 3HG2 VAL 307 3HG2 VAL 307 7.756 4.518 -4.824 Start of MODEL 6 1 1H GLY 1 1H GLY 1 23.202 -25.848 -21.555 2 2H GLY 1 2H GLY 1 24.093 -24.454 -21.201 3 3H GLY 1 3H GLY 1 24.627 -25.517 -22.404 4 1HA GLY 1 1HA GLY 1 23.629 -23.552 -23.389 5 2HA GLY 1 2HA GLY 1 22.723 -25.007 -23.776 6 H SER 2 H SER 2 22.677 -21.943 -22.217 7 HA SER 2 HA SER 2 19.912 -22.410 -21.302 8 1HB SER 2 1HB SER 2 21.563 -21.747 -19.543 9 2HB SER 2 2HB SER 2 21.812 -20.230 -20.405 10 HG SER 2 HG SER 2 19.566 -21.131 -18.987 11 H HIS 3 H HIS 3 21.966 -19.770 -22.550 12 HA HIS 3 HA HIS 3 19.614 -18.507 -23.723 13 1HB HIS 3 1HB HIS 3 21.448 -17.258 -22.425 14 2HB HIS 3 2HB HIS 3 22.439 -17.470 -23.865 15 HD1 HIS 3 HD1 HIS 3 19.002 -16.060 -23.018 16 HD2 HIS 3 HD2 HIS 3 22.189 -15.425 -25.609 17 HE1 HIS 3 HE1 HIS 3 18.406 -13.996 -24.325 18 HE2 HIS 3 HE2 HIS 3 20.390 -13.578 -25.820 19 H MET 4 H MET 4 19.020 -19.051 -25.710 20 HA MET 4 HA MET 4 20.970 -20.207 -27.545 21 1HB MET 4 1HB MET 4 18.645 -21.188 -27.109 22 2HB MET 4 2HB MET 4 18.023 -19.846 -28.063 23 1HG MET 4 1HG MET 4 19.499 -20.587 -29.930 24 2HG MET 4 2HG MET 4 19.899 -22.012 -28.972 25 1HE MET 4 1HE MET 4 19.303 -22.689 -31.422 26 2HE MET 4 2HE MET 4 18.565 -24.114 -30.691 27 3HE MET 4 3HE MET 4 17.685 -23.192 -31.911 28 H GLY 5 H GLY 5 18.438 -17.688 -27.674 29 1HA GLY 5 1HA GLY 5 20.189 -15.915 -29.125 30 2HA GLY 5 2HA GLY 5 18.899 -16.583 -30.113 31 H HIS 6 H HIS 6 17.675 -14.809 -30.453 32 HA HIS 6 HA HIS 6 16.137 -13.814 -28.211 33 1HB HIS 6 1HB HIS 6 18.333 -12.406 -28.584 34 2HB HIS 6 2HB HIS 6 17.417 -11.714 -29.918 35 HD1 HIS 6 HD1 HIS 6 17.051 -9.418 -28.932 36 HD2 HIS 6 HD2 HIS 6 15.802 -12.481 -26.416 37 HE1 HIS 6 HE1 HIS 6 15.800 -8.288 -27.066 38 HE2 HIS 6 HE2 HIS 6 15.136 -10.154 -25.507 39 H GLU 7 H GLU 7 14.236 -14.451 -29.108 40 HA GLU 7 HA GLU 7 13.538 -13.295 -31.733 41 1HB GLU 7 1HB GLU 7 12.906 -15.998 -30.573 42 2HB GLU 7 2HB GLU 7 11.923 -15.302 -31.855 43 1HG GLU 7 1HG GLU 7 13.483 -16.711 -32.909 44 2HG GLU 7 2HG GLU 7 14.039 -15.062 -33.193 45 H LEU 8 H LEU 8 13.144 -12.111 -29.109 46 HA LEU 8 HA LEU 8 10.200 -11.960 -29.126 47 1HB LEU 8 1HB LEU 8 12.046 -11.995 -26.741 48 2HB LEU 8 2HB LEU 8 10.370 -11.485 -26.652 49 HG LEU 8 HG LEU 8 9.933 -13.848 -27.747 50 1HD1 LEU 8 1HD1 LEU 8 12.627 -14.127 -26.443 51 2HD1 LEU 8 2HD1 LEU 8 11.543 -15.491 -26.718 52 3HD1 LEU 8 3HD1 LEU 8 12.160 -14.565 -28.086 53 1HD2 LEU 8 1HD2 LEU 8 10.592 -13.422 -24.835 54 2HD2 LEU 8 2HD2 LEU 8 9.036 -13.129 -25.612 55 3HD2 LEU 8 3HD2 LEU 8 9.662 -14.773 -25.483 56 H ALA 9 H ALA 9 9.298 -9.930 -28.784 57 HA ALA 9 HA ALA 9 11.140 -7.702 -29.241 58 1HB ALA 9 1HB ALA 9 8.142 -7.859 -29.521 59 2HB ALA 9 2HB ALA 9 9.129 -6.445 -29.894 60 3HB ALA 9 3HB ALA 9 9.323 -7.927 -30.829 61 H LYS 10 H LYS 10 11.921 -7.377 -27.142 62 HA LYS 10 HA LYS 10 9.994 -6.763 -25.036 63 1HB LYS 10 1HB LYS 10 13.005 -7.015 -25.014 64 2HB LYS 10 2HB LYS 10 12.048 -6.581 -23.603 65 1HG LYS 10 1HG LYS 10 10.820 -8.733 -23.860 66 2HG LYS 10 2HG LYS 10 11.959 -9.168 -25.136 67 1HD LYS 10 1HD LYS 10 13.808 -9.016 -23.567 68 2HD LYS 10 2HD LYS 10 12.706 -8.497 -22.291 69 1HE LYS 10 1HE LYS 10 13.177 -10.831 -21.996 70 2HE LYS 10 2HE LYS 10 11.505 -10.656 -22.524 71 1HZ LYS 10 1HZ LYS 10 13.759 -11.296 -24.346 72 2HZ LYS 10 2HZ LYS 10 12.744 -12.460 -23.655 73 3HZ LYS 10 3HZ LYS 10 12.109 -11.310 -24.721 74 H GLN 11 H GLN 11 9.400 -4.763 -24.554 75 HA GLN 11 HA GLN 11 10.683 -2.539 -25.909 76 1HB GLN 11 1HB GLN 11 8.158 -2.768 -24.278 77 2HB GLN 11 2HB GLN 11 8.751 -1.239 -24.915 78 1HG GLN 11 1HG GLN 11 8.294 -1.808 -27.090 79 2HG GLN 11 2HG GLN 11 8.384 -3.539 -26.769 80 1HE2 GLN 11 2HE2 GLN 11 6.467 -4.323 -27.318 81 2HE2 GLN 11 1HE2 GLN 11 4.941 -3.726 -26.769 82 H GLU 12 H GLU 12 12.628 -2.280 -24.799 83 HA GLU 12 HA GLU 12 12.563 -1.724 -21.936 84 1HB GLU 12 1HB GLU 12 14.396 -3.077 -23.043 85 2HB GLU 12 2HB GLU 12 14.931 -1.588 -23.810 86 1HG GLU 12 1HG GLU 12 15.248 -0.600 -21.563 87 2HG GLU 12 2HG GLU 12 14.831 -2.160 -20.858 88 H ILE 13 H ILE 13 11.437 0.217 -21.793 89 HA ILE 13 HA ILE 13 12.617 2.533 -23.187 90 HB ILE 13 HB ILE 13 10.493 3.711 -22.742 91 1HG1 ILE 13 1HG1 ILE 13 9.923 2.086 -20.785 92 2HG1 ILE 13 2HG1 ILE 13 8.615 2.721 -21.767 93 1HG2 ILE 13 1HG2 ILE 13 10.984 2.602 -24.882 94 2HG2 ILE 13 2HG2 ILE 13 10.151 1.158 -24.307 95 3HG2 ILE 13 3HG2 ILE 13 9.257 2.662 -24.527 96 1HD1 ILE 13 1HD1 ILE 13 9.522 0.228 -22.859 97 2HD1 ILE 13 2HD1 ILE 13 9.166 0.047 -21.142 98 3HD1 ILE 13 3HD1 ILE 13 7.931 0.667 -22.239 99 H ARG 14 H ARG 14 12.557 4.603 -22.099 100 HA ARG 14 HA ARG 14 13.125 4.352 -19.216 101 1HB ARG 14 1HB ARG 14 14.477 5.735 -21.435 102 2HB ARG 14 2HB ARG 14 14.280 6.731 -20.001 103 1HG ARG 14 1HG ARG 14 15.274 4.728 -18.733 104 2HG ARG 14 2HG ARG 14 15.803 4.178 -20.325 105 1HD ARG 14 1HD ARG 14 16.371 6.964 -19.369 106 2HD ARG 14 2HD ARG 14 17.416 5.616 -18.922 107 HE ARG 14 HE ARG 14 17.296 5.365 -21.589 108 1HH1 ARG 14 1HH1 ARG 14 17.963 8.161 -19.571 109 2HH1 ARG 14 2HH1 ARG 14 18.979 8.915 -20.755 110 1HH2 ARG 14 1HH2 ARG 14 18.635 6.374 -23.122 111 2HH2 ARG 14 2HH2 ARG 14 19.357 7.905 -22.760 112 H VAL 15 H VAL 15 12.517 6.154 -17.847 113 HA VAL 15 HA VAL 15 10.584 8.043 -18.951 114 HB VAL 15 HB VAL 15 9.007 7.612 -17.051 115 1HG1 VAL 15 1HG1 VAL 15 9.431 5.351 -19.000 116 2HG1 VAL 15 2HG1 VAL 15 7.947 5.668 -18.103 117 3HG1 VAL 15 3HG1 VAL 15 8.518 6.830 -19.299 118 1HG2 VAL 15 1HG2 VAL 15 10.701 6.350 -15.686 119 2HG2 VAL 15 2HG2 VAL 15 9.112 5.595 -15.804 120 3HG2 VAL 15 3HG2 VAL 15 10.450 4.986 -16.776 121 H ARG 16 H ARG 16 10.463 9.973 -17.852 122 HA ARG 16 HA ARG 16 12.453 10.336 -15.712 123 1HB ARG 16 1HB ARG 16 12.668 11.611 -17.899 124 2HB ARG 16 2HB ARG 16 11.225 12.494 -17.424 125 1HG ARG 16 1HG ARG 16 12.336 13.383 -15.492 126 2HG ARG 16 2HG ARG 16 13.758 12.385 -15.805 127 1HD ARG 16 1HD ARG 16 12.830 14.198 -17.966 128 2HD ARG 16 2HD ARG 16 13.616 14.926 -16.566 129 HE ARG 16 HE ARG 16 15.339 12.982 -17.211 130 1HH1 ARG 16 1HH1 ARG 16 13.800 15.430 -19.204 131 2HH1 ARG 16 2HH1 ARG 16 15.111 15.494 -20.334 132 1HH2 ARG 16 1HH2 ARG 16 17.043 13.087 -18.704 133 2HH2 ARG 16 2HH2 ARG 16 16.943 14.171 -20.052 134 H VAL 17 H VAL 17 11.631 10.456 -13.730 135 HA VAL 17 HA VAL 17 8.971 11.688 -13.365 136 HB VAL 17 HB VAL 17 10.291 9.748 -11.462 137 1HG1 VAL 17 1HG1 VAL 17 8.572 11.277 -10.541 138 2HG1 VAL 17 2HG1 VAL 17 7.414 10.618 -11.696 139 3HG1 VAL 17 3HG1 VAL 17 8.112 9.577 -10.455 140 1HG2 VAL 17 1HG2 VAL 17 9.856 8.671 -13.646 141 2HG2 VAL 17 2HG2 VAL 17 8.864 8.009 -12.347 142 3HG2 VAL 17 3HG2 VAL 17 8.160 9.135 -13.509 143 H GLU 18 H GLU 18 9.041 13.638 -12.472 144 HA GLU 18 HA GLU 18 11.381 14.440 -10.922 145 1HB GLU 18 1HB GLU 18 9.142 15.908 -12.266 146 2HB GLU 18 2HB GLU 18 10.059 16.703 -10.992 147 1HG GLU 18 1HG GLU 18 11.234 17.372 -12.824 148 2HG GLU 18 2HG GLU 18 12.116 15.906 -12.404 149 H LYS 19 H LYS 19 11.378 14.411 -8.778 150 HA LYS 19 HA LYS 19 8.997 13.759 -7.319 151 1HB LYS 19 1HB LYS 19 11.882 14.124 -6.664 152 2HB LYS 19 2HB LYS 19 10.718 14.250 -5.350 153 1HG LYS 19 1HG LYS 19 9.829 11.994 -6.408 154 2HG LYS 19 2HG LYS 19 11.494 11.899 -6.982 155 1HD LYS 19 1HD LYS 19 11.249 12.645 -4.157 156 2HD LYS 19 2HD LYS 19 10.603 11.047 -4.533 157 1HE LYS 19 1HE LYS 19 12.704 10.364 -5.488 158 2HE LYS 19 2HE LYS 19 13.357 11.993 -5.320 159 1HZ LYS 19 1HZ LYS 19 13.147 11.762 -2.905 160 2HZ LYS 19 2HZ LYS 19 12.592 10.176 -3.098 161 3HZ LYS 19 3HZ LYS 19 14.167 10.582 -3.561 162 H ASP 20 H ASP 20 7.551 15.137 -6.587 163 HA ASP 20 HA ASP 20 8.198 17.551 -5.258 164 1HB ASP 20 1HB ASP 20 8.485 18.077 -7.793 165 2HB ASP 20 2HB ASP 20 6.725 18.050 -7.830 166 HA PRO 21 HA PRO 21 7.772 17.220 -3.332 167 1HB PRO 21 1HB PRO 21 6.334 15.824 -1.269 168 2HB PRO 21 2HB PRO 21 6.690 17.549 -1.374 169 1HG PRO 21 1HG PRO 21 4.166 16.463 -1.561 170 2HG PRO 21 2HG PRO 21 4.632 18.043 -2.210 171 1HD PRO 21 1HD PRO 21 4.362 15.416 -3.624 172 2HD PRO 21 2HD PRO 21 3.870 17.038 -4.157 173 H GLU 22 H GLU 22 6.081 14.322 -4.292 174 HA GLU 22 HA GLU 22 8.516 12.775 -3.715 175 1HB GLU 22 1HB GLU 22 5.678 11.927 -3.123 176 2HB GLU 22 2HB GLU 22 7.059 10.837 -3.087 177 1HG GLU 22 1HG GLU 22 6.852 13.315 -1.400 178 2HG GLU 22 2HG GLU 22 6.334 11.717 -0.864 179 H LEU 23 H LEU 23 8.096 10.425 -4.755 180 HA LEU 23 HA LEU 23 8.149 10.826 -7.543 181 1HB LEU 23 1HB LEU 23 7.906 8.309 -5.902 182 2HB LEU 23 2HB LEU 23 8.107 8.316 -7.644 183 HG LEU 23 HG LEU 23 10.191 9.925 -6.786 184 1HD1 LEU 23 1HD1 LEU 23 9.658 9.202 -4.447 185 2HD1 LEU 23 2HD1 LEU 23 10.103 7.564 -4.924 186 3HD1 LEU 23 3HD1 LEU 23 11.302 8.855 -4.982 187 1HD2 LEU 23 1HD2 LEU 23 10.189 6.966 -7.373 188 2HD2 LEU 23 2HD2 LEU 23 10.393 8.278 -8.534 189 3HD2 LEU 23 3HD2 LEU 23 11.630 7.980 -7.313 190 H GLY 24 H GLY 24 5.747 9.055 -5.562 191 1HA GLY 24 1HA GLY 24 3.393 9.404 -5.835 192 2HA GLY 24 2HA GLY 24 3.692 9.894 -7.492 193 H PHE 25 H PHE 25 5.065 6.978 -6.031 194 HA PHE 25 HA PHE 25 3.028 5.255 -7.056 195 1HB PHE 25 1HB PHE 25 4.292 4.135 -8.789 196 2HB PHE 25 2HB PHE 25 4.204 5.851 -9.159 197 HD1 PHE 25 HD1 PHE 25 6.402 3.151 -7.959 198 HD2 PHE 25 HD2 PHE 25 6.165 7.179 -9.314 199 HE1 PHE 25 HE1 PHE 25 8.849 3.211 -8.199 200 HE2 PHE 25 HE2 PHE 25 8.613 7.246 -9.554 201 HZ PHE 25 HZ PHE 25 9.958 5.259 -8.997 202 H SER 26 H SER 26 3.230 3.117 -6.365 203 HA SER 26 HA SER 26 5.230 2.742 -4.256 204 1HB SER 26 1HB SER 26 3.641 0.760 -3.693 205 2HB SER 26 2HB SER 26 3.118 2.403 -3.324 206 HG SER 26 HG SER 26 1.566 1.009 -4.459 207 H ILE 27 H ILE 27 6.378 0.792 -4.035 208 HA ILE 27 HA ILE 27 6.604 -0.807 -6.509 209 HB ILE 27 HB ILE 27 8.999 -1.118 -5.947 210 1HG1 ILE 27 1HG1 ILE 27 8.654 1.140 -3.974 211 2HG1 ILE 27 2HG1 ILE 27 8.627 -0.550 -3.478 212 1HG2 ILE 27 1HG2 ILE 27 8.316 0.573 -7.563 213 2HG2 ILE 27 2HG2 ILE 27 8.142 1.755 -6.266 214 3HG2 ILE 27 3HG2 ILE 27 9.734 1.104 -6.657 215 1HD1 ILE 27 1HD1 ILE 27 10.920 0.544 -5.052 216 2HD1 ILE 27 2HD1 ILE 27 10.825 0.762 -3.305 217 3HD1 ILE 27 3HD1 ILE 27 10.864 -0.863 -3.990 218 H SER 28 H SER 28 7.097 -3.052 -6.248 219 HA SER 28 HA SER 28 7.126 -4.154 -3.552 220 1HB SER 28 1HB SER 28 4.754 -4.046 -3.904 221 2HB SER 28 2HB SER 28 4.908 -4.720 -5.526 222 HG SER 28 HG SER 28 5.048 -6.665 -4.712 223 H GLY 29 H GLY 29 7.443 -6.563 -3.577 224 1HA GLY 29 1HA GLY 29 7.976 -8.524 -4.946 225 2HA GLY 29 2HA GLY 29 8.809 -7.446 -6.050 226 H GLY 30 H GLY 30 10.899 -6.793 -5.600 227 1HA GLY 30 1HA GLY 30 12.984 -6.814 -4.608 228 2HA GLY 30 2HA GLY 30 12.208 -7.331 -3.117 229 H VAL 31 H VAL 31 13.384 -9.027 -2.462 230 HA VAL 31 HA VAL 31 13.383 -11.423 -4.107 231 HB VAL 31 HB VAL 31 15.966 -10.441 -2.875 232 1HG1 VAL 31 1HG1 VAL 31 15.771 -12.868 -3.012 233 2HG1 VAL 31 2HG1 VAL 31 15.386 -12.750 -4.729 234 3HG1 VAL 31 3HG1 VAL 31 16.981 -12.270 -4.149 235 1HG2 VAL 31 1HG2 VAL 31 15.105 -10.409 -5.763 236 2HG2 VAL 31 2HG2 VAL 31 15.391 -9.004 -4.738 237 3HG2 VAL 31 3HG2 VAL 31 16.732 -10.061 -5.179 238 H GLY 32 H GLY 32 11.873 -12.104 -2.529 239 1HA GLY 32 1HA GLY 32 11.587 -13.644 -0.770 240 2HA GLY 32 2HA GLY 32 13.147 -13.165 -0.125 241 H GLY 33 H GLY 33 11.264 -10.419 -0.901 242 1HA GLY 33 1HA GLY 33 10.887 -9.862 1.914 243 2HA GLY 33 2HA GLY 33 10.584 -8.761 0.578 244 H ARG 34 H ARG 34 8.548 -8.092 1.085 245 HA ARG 34 HA ARG 34 6.493 -9.635 2.148 246 1HB ARG 34 1HB ARG 34 6.097 -7.303 0.273 247 2HB ARG 34 2HB ARG 34 5.015 -7.852 1.546 248 1HG ARG 34 1HG ARG 34 5.950 -6.234 2.769 249 2HG ARG 34 2HG ARG 34 7.295 -7.360 2.952 250 1HD ARG 34 1HD ARG 34 7.951 -6.217 0.602 251 2HD ARG 34 2HD ARG 34 7.090 -4.879 1.361 252 HE ARG 34 HE ARG 34 9.645 -5.983 2.141 253 1HH1 ARG 34 1HH1 ARG 34 6.920 -4.016 3.159 254 2HH1 ARG 34 2HH1 ARG 34 7.830 -3.183 4.376 255 1HH2 ARG 34 1HH2 ARG 34 10.814 -4.880 3.742 256 2HH2 ARG 34 2HH2 ARG 34 10.030 -3.672 4.705 257 H GLY 35 H GLY 35 7.595 -9.377 -1.156 258 1HA GLY 35 1HA GLY 35 7.150 -11.064 -2.768 259 2HA GLY 35 2HA GLY 35 5.678 -11.469 -1.900 260 H ASN 36 H ASN 36 5.834 -11.089 -4.695 261 HA ASN 36 HA ASN 36 4.165 -8.674 -5.006 262 1HB ASN 36 1HB ASN 36 5.039 -8.458 -7.305 263 2HB ASN 36 2HB ASN 36 6.324 -8.330 -6.107 264 1HD2 ASN 36 2HD2 ASN 36 7.534 -10.342 -5.665 265 2HD2 ASN 36 1HD2 ASN 36 7.852 -11.404 -6.989 266 HA PRO 37 HA PRO 37 1.373 -11.776 -6.643 267 1HB PRO 37 1HB PRO 37 -0.836 -10.260 -6.843 268 2HB PRO 37 2HB PRO 37 -0.182 -10.774 -5.286 269 1HG PRO 37 1HG PRO 37 -0.156 -8.109 -6.545 270 2HG PRO 37 2HG PRO 37 -0.036 -8.548 -4.835 271 1HD PRO 37 1HD PRO 37 2.087 -7.858 -6.640 272 2HD PRO 37 2HD PRO 37 2.208 -8.305 -4.929 273 H PHE 38 H PHE 38 3.076 -10.074 -8.550 274 HA PHE 38 HA PHE 38 1.224 -10.011 -10.840 275 1HB PHE 38 1HB PHE 38 3.845 -8.610 -10.328 276 2HB PHE 38 2HB PHE 38 3.139 -8.708 -11.937 277 HD1 PHE 38 HD1 PHE 38 2.634 -7.412 -8.523 278 HD2 PHE 38 HD2 PHE 38 1.337 -7.306 -12.576 279 HE1 PHE 38 HE1 PHE 38 1.265 -5.429 -8.030 280 HE2 PHE 38 HE2 PHE 38 -0.036 -5.317 -12.088 281 HZ PHE 38 HZ PHE 38 -0.071 -4.381 -9.812 282 H ARG 39 H ARG 39 4.587 -10.894 -10.037 283 HA ARG 39 HA ARG 39 4.431 -13.021 -12.080 284 1HB ARG 39 1HB ARG 39 6.750 -11.287 -11.234 285 2HB ARG 39 2HB ARG 39 6.983 -12.796 -12.108 286 1HG ARG 39 1HG ARG 39 5.105 -10.768 -13.214 287 2HG ARG 39 2HG ARG 39 6.842 -10.508 -13.374 288 1HD ARG 39 1HD ARG 39 5.976 -13.215 -14.081 289 2HD ARG 39 2HD ARG 39 5.280 -11.957 -15.099 290 HE ARG 39 HE ARG 39 8.132 -11.748 -14.714 291 1HH1 ARG 39 1HH1 ARG 39 5.586 -13.096 -16.723 292 2HH1 ARG 39 2HH1 ARG 39 6.613 -13.270 -18.107 293 1HH2 ARG 39 1HH2 ARG 39 9.458 -11.986 -16.542 294 2HH2 ARG 39 2HH2 ARG 39 8.801 -12.643 -18.004 295 HA PRO 40 HA PRO 40 5.225 -15.637 -8.550 296 1HB PRO 40 1HB PRO 40 5.230 -18.030 -9.744 297 2HB PRO 40 2HB PRO 40 3.756 -17.065 -9.607 298 1HG PRO 40 1HG PRO 40 5.515 -17.515 -11.964 299 2HG PRO 40 2HG PRO 40 3.757 -17.309 -11.894 300 1HD PRO 40 1HD PRO 40 5.636 -15.332 -12.562 301 2HD PRO 40 2HD PRO 40 3.932 -15.063 -12.156 302 H ASP 41 H ASP 41 7.162 -16.449 -11.452 303 HA ASP 41 HA ASP 41 9.327 -17.385 -9.745 304 1HB ASP 41 1HB ASP 41 8.873 -17.461 -12.720 305 2HB ASP 41 2HB ASP 41 10.390 -17.965 -11.979 306 H ASP 42 H ASP 42 8.483 -14.416 -11.206 307 HA ASP 42 HA ASP 42 11.274 -13.586 -11.496 308 1HB ASP 42 1HB ASP 42 9.328 -13.045 -13.167 309 2HB ASP 42 2HB ASP 42 8.942 -11.774 -12.011 310 H ASP 43 H ASP 43 12.245 -12.850 -9.729 311 HA ASP 43 HA ASP 43 10.637 -11.566 -7.641 312 1HB ASP 43 1HB ASP 43 12.636 -11.930 -6.203 313 2HB ASP 43 2HB ASP 43 11.997 -13.424 -6.882 314 H GLY 44 H GLY 44 10.597 -9.739 -9.349 315 1HA GLY 44 1HA GLY 44 12.939 -7.976 -8.937 316 2HA GLY 44 2HA GLY 44 11.930 -7.944 -10.375 317 H ILE 45 H ILE 45 11.703 -5.655 -9.964 318 HA ILE 45 HA ILE 45 9.835 -5.029 -7.765 319 HB ILE 45 HB ILE 45 11.475 -3.012 -9.295 320 1HG1 ILE 45 1HG1 ILE 45 13.017 -4.567 -8.179 321 2HG1 ILE 45 2HG1 ILE 45 13.043 -2.986 -7.406 322 1HG2 ILE 45 1HG2 ILE 45 9.445 -2.259 -8.071 323 2HG2 ILE 45 2HG2 ILE 45 10.191 -2.828 -6.579 324 3HG2 ILE 45 3HG2 ILE 45 10.943 -1.526 -7.499 325 1HD1 ILE 45 1HD1 ILE 45 11.131 -4.334 -5.976 326 2HD1 ILE 45 2HD1 ILE 45 12.327 -5.581 -6.326 327 3HD1 ILE 45 3HD1 ILE 45 12.813 -4.100 -5.501 328 H PHE 46 H PHE 46 7.837 -4.256 -8.248 329 HA PHE 46 HA PHE 46 7.299 -3.429 -11.029 330 1HB PHE 46 1HB PHE 46 5.430 -5.105 -9.339 331 2HB PHE 46 2HB PHE 46 5.192 -4.620 -11.014 332 HD1 PHE 46 HD1 PHE 46 7.654 -6.467 -8.899 333 HD2 PHE 46 HD2 PHE 46 5.705 -6.129 -12.668 334 HE1 PHE 46 HE1 PHE 46 8.753 -8.537 -9.650 335 HE2 PHE 46 HE2 PHE 46 6.798 -8.202 -13.423 336 HZ PHE 46 HZ PHE 46 8.325 -9.405 -11.914 337 H VAL 47 H VAL 47 5.612 -1.894 -11.298 338 HA VAL 47 HA VAL 47 5.192 -0.226 -8.935 339 HB VAL 47 HB VAL 47 4.484 0.416 -11.803 340 1HG1 VAL 47 1HG1 VAL 47 3.327 1.779 -10.139 341 2HG1 VAL 47 2HG1 VAL 47 4.872 2.193 -9.396 342 3HG1 VAL 47 3HG1 VAL 47 4.507 2.736 -11.034 343 1HG2 VAL 47 1HG2 VAL 47 6.918 -0.080 -11.459 344 2HG2 VAL 47 2HG2 VAL 47 6.569 1.556 -12.018 345 3HG2 VAL 47 3HG2 VAL 47 6.967 1.269 -10.324 346 H THR 48 H THR 48 3.660 -1.758 -8.018 347 HA THR 48 HA THR 48 1.380 -2.827 -8.879 348 HB THR 48 HB THR 48 2.018 -3.054 -6.595 349 HG1 THR 48 HG1 THR 48 0.033 -2.964 -5.696 350 1HG2 THR 48 1HG2 THR 48 1.017 -0.380 -5.801 351 2HG2 THR 48 2HG2 THR 48 2.199 -1.430 -5.019 352 3HG2 THR 48 3HG2 THR 48 2.652 -0.504 -6.450 353 H ARG 49 H ARG 49 1.349 0.620 -7.767 354 HA ARG 49 HA ARG 49 -0.643 1.243 -9.749 355 1HB ARG 49 1HB ARG 49 -2.371 1.987 -8.135 356 2HB ARG 49 2HB ARG 49 -2.113 0.248 -8.121 357 1HG ARG 49 1HG ARG 49 -1.198 0.256 -6.029 358 2HG ARG 49 2HG ARG 49 -0.608 1.914 -6.174 359 1HD ARG 49 1HD ARG 49 -2.646 2.832 -5.624 360 2HD ARG 49 2HD ARG 49 -3.549 1.414 -6.156 361 HE ARG 49 HE ARG 49 -2.374 1.865 -3.554 362 1HH1 ARG 49 1HH1 ARG 49 -3.659 -0.545 -5.762 363 2HH1 ARG 49 2HH1 ARG 49 -4.020 -1.674 -4.497 364 1HH2 ARG 49 1HH2 ARG 49 -2.854 0.368 -1.918 365 2HH2 ARG 49 2HH2 ARG 49 -3.565 -1.157 -2.327 366 H VAL 50 H VAL 50 -1.346 3.512 -9.676 367 HA VAL 50 HA VAL 50 0.716 5.256 -8.481 368 HB VAL 50 HB VAL 50 -0.825 5.854 -11.011 369 1HG1 VAL 50 1HG1 VAL 50 0.113 7.767 -9.745 370 2HG1 VAL 50 2HG1 VAL 50 1.718 7.063 -9.941 371 3HG1 VAL 50 3HG1 VAL 50 0.806 7.584 -11.357 372 1HG2 VAL 50 1HG2 VAL 50 0.566 3.853 -11.348 373 2HG2 VAL 50 2HG2 VAL 50 1.150 5.231 -12.281 374 3HG2 VAL 50 3HG2 VAL 50 1.978 4.755 -10.798 375 H GLN 51 H GLN 51 0.026 7.303 -7.676 376 HA GLN 51 HA GLN 51 -2.850 7.400 -7.069 377 1HB GLN 51 1HB GLN 51 -0.412 8.210 -5.576 378 2HB GLN 51 2HB GLN 51 -1.865 9.172 -5.331 379 1HG GLN 51 1HG GLN 51 -2.093 6.217 -5.162 380 2HG GLN 51 2HG GLN 51 -1.306 7.072 -3.837 381 1HE2 GLN 51 2HE2 GLN 51 -3.696 5.623 -3.597 382 2HE2 GLN 51 1HE2 GLN 51 -4.963 6.728 -3.197 383 HA PRO 52 HA PRO 52 -2.212 11.893 -8.432 384 1HB PRO 52 1HB PRO 52 0.195 12.999 -8.789 385 2HB PRO 52 2HB PRO 52 -0.495 12.805 -7.172 386 1HG PRO 52 1HG PRO 52 1.540 11.114 -8.576 387 2HG PRO 52 2HG PRO 52 1.537 11.698 -6.901 388 1HD PRO 52 1HD PRO 52 0.746 9.179 -7.627 389 2HD PRO 52 2HD PRO 52 0.136 10.027 -6.192 390 H GLU 53 H GLU 53 -2.903 11.988 -10.479 391 HA GLU 53 HA GLU 53 -1.580 10.555 -12.584 392 1HB GLU 53 1HB GLU 53 -3.403 11.419 -14.005 393 2HB GLU 53 2HB GLU 53 -4.010 10.675 -12.532 394 1HG GLU 53 1HG GLU 53 -3.531 13.561 -12.348 395 2HG GLU 53 2HG GLU 53 -4.792 13.085 -13.484 396 H GLY 54 H GLY 54 0.465 11.904 -12.097 397 1HA GLY 54 1HA GLY 54 0.671 13.893 -14.203 398 2HA GLY 54 2HA GLY 54 0.937 14.505 -12.581 399 HA PRO 55 HA PRO 55 5.186 13.339 -12.586 400 1HB PRO 55 1HB PRO 55 5.530 11.571 -10.487 401 2HB PRO 55 2HB PRO 55 5.470 13.330 -10.332 402 1HG PRO 55 1HG PRO 55 3.310 11.313 -9.885 403 2HG PRO 55 2HG PRO 55 3.703 12.765 -8.945 404 1HD PRO 55 1HD PRO 55 1.648 12.734 -10.661 405 2HD PRO 55 2HD PRO 55 2.659 14.180 -10.460 406 H ALA 56 H ALA 56 4.112 10.177 -11.340 407 HA ALA 56 HA ALA 56 5.294 8.947 -13.737 408 1HB ALA 56 1HB ALA 56 5.929 8.549 -11.093 409 2HB ALA 56 2HB ALA 56 4.884 7.176 -11.454 410 3HB ALA 56 3HB ALA 56 6.330 7.465 -12.424 411 H SER 57 H SER 57 2.777 9.811 -14.119 412 HA SER 57 HA SER 57 1.043 7.457 -13.790 413 1HB SER 57 1HB SER 57 0.144 9.596 -12.940 414 2HB SER 57 2HB SER 57 0.306 10.295 -14.550 415 HG SER 57 HG SER 57 -1.684 8.796 -13.557 416 H LYS 58 H LYS 58 1.418 10.043 -16.209 417 HA LYS 58 HA LYS 58 0.573 8.410 -18.362 418 1HB LYS 58 1HB LYS 58 1.555 10.285 -19.777 419 2HB LYS 58 2HB LYS 58 0.279 10.731 -18.654 420 1HG LYS 58 1HG LYS 58 2.987 10.962 -17.557 421 2HG LYS 58 2HG LYS 58 2.655 12.027 -18.923 422 1HD LYS 58 1HD LYS 58 0.398 12.356 -17.446 423 2HD LYS 58 2HD LYS 58 1.590 12.071 -16.177 424 1HE LYS 58 1HE LYS 58 2.643 14.034 -16.546 425 2HE LYS 58 2HE LYS 58 2.413 13.950 -18.292 426 1HZ LYS 58 1HZ LYS 58 0.300 14.674 -16.333 427 2HZ LYS 58 2HZ LYS 58 1.177 15.781 -17.265 428 3HZ LYS 58 3HZ LYS 58 0.144 14.670 -18.018 429 H LEU 59 H LEU 59 3.591 8.501 -16.719 430 HA LEU 59 HA LEU 59 5.082 7.619 -19.069 431 1HB LEU 59 1HB LEU 59 5.935 8.233 -16.244 432 2HB LEU 59 2HB LEU 59 7.025 7.651 -17.490 433 HG LEU 59 HG LEU 59 5.427 10.187 -17.789 434 1HD1 LEU 59 1HD1 LEU 59 6.919 10.286 -15.803 435 2HD1 LEU 59 2HD1 LEU 59 8.285 9.950 -16.867 436 3HD1 LEU 59 3HD1 LEU 59 7.346 11.428 -17.077 437 1HD2 LEU 59 1HD2 LEU 59 6.269 9.156 -19.848 438 2HD2 LEU 59 2HD2 LEU 59 7.069 10.691 -19.509 439 3HD2 LEU 59 3HD2 LEU 59 7.902 9.171 -19.182 440 H LEU 60 H LEU 60 4.635 6.461 -15.714 441 HA LEU 60 HA LEU 60 5.329 3.762 -16.585 442 1HB LEU 60 1HB LEU 60 4.820 4.887 -13.830 443 2HB LEU 60 2HB LEU 60 5.305 3.234 -14.164 444 HG LEU 60 HG LEU 60 7.000 5.541 -15.066 445 1HD1 LEU 60 1HD1 LEU 60 6.383 5.459 -12.510 446 2HD1 LEU 60 2HD1 LEU 60 7.571 4.156 -12.496 447 3HD1 LEU 60 3HD1 LEU 60 8.036 5.768 -13.039 448 1HD2 LEU 60 1HD2 LEU 60 7.473 2.625 -14.486 449 2HD2 LEU 60 2HD2 LEU 60 7.605 3.458 -16.035 450 3HD2 LEU 60 3HD2 LEU 60 8.773 3.786 -14.755 451 H GLN 61 H GLN 61 4.009 1.953 -16.251 452 HA GLN 61 HA GLN 61 1.143 2.574 -16.054 453 1HB GLN 61 1HB GLN 61 0.936 0.169 -17.007 454 2HB GLN 61 2HB GLN 61 1.432 1.464 -18.086 455 1HG GLN 61 1HG GLN 61 3.547 -0.092 -16.702 456 2HG GLN 61 2HG GLN 61 2.673 -0.858 -18.028 457 1HE2 GLN 61 2HE2 GLN 61 3.201 -0.357 -20.066 458 2HE2 GLN 61 1HE2 GLN 61 4.351 0.850 -20.521 459 HA PRO 62 HA PRO 62 0.913 0.552 -12.123 460 1HB PRO 62 1HB PRO 62 -1.744 -0.542 -12.768 461 2HB PRO 62 2HB PRO 62 -1.284 0.657 -11.560 462 1HG PRO 62 1HG PRO 62 -2.654 1.327 -13.767 463 2HG PRO 62 2HG PRO 62 -1.451 2.412 -13.044 464 1HD PRO 62 1HD PRO 62 -1.181 0.600 -15.418 465 2HD PRO 62 2HD PRO 62 -0.633 2.276 -15.215 466 H GLY 63 H GLY 63 2.596 -1.046 -13.024 467 1HA GLY 63 1HA GLY 63 2.558 -3.460 -12.063 468 2HA GLY 63 2HA GLY 63 1.441 -3.731 -13.387 469 H ASP 64 H ASP 64 4.406 -1.765 -13.464 470 HA ASP 64 HA ASP 64 5.317 -3.397 -15.702 471 1HB ASP 64 1HB ASP 64 6.800 -1.544 -16.212 472 2HB ASP 64 2HB ASP 64 5.186 -0.924 -15.907 473 H LYS 65 H LYS 65 8.088 -2.888 -15.522 474 HA LYS 65 HA LYS 65 8.895 -4.231 -13.033 475 1HB LYS 65 1HB LYS 65 8.668 -5.886 -14.888 476 2HB LYS 65 2HB LYS 65 9.876 -4.987 -15.791 477 1HG LYS 65 1HG LYS 65 11.563 -5.494 -14.173 478 2HG LYS 65 2HG LYS 65 10.371 -6.216 -13.090 479 1HD LYS 65 1HD LYS 65 9.944 -7.987 -14.690 480 2HD LYS 65 2HD LYS 65 11.043 -7.240 -15.849 481 1HE LYS 65 1HE LYS 65 12.234 -7.765 -13.220 482 2HE LYS 65 2HE LYS 65 11.716 -9.212 -14.083 483 1HZ LYS 65 1HZ LYS 65 12.974 -8.241 -16.043 484 2HZ LYS 65 2HZ LYS 65 13.686 -7.181 -14.935 485 3HZ LYS 65 3HZ LYS 65 13.901 -8.850 -14.765 486 H ILE 66 H ILE 66 10.450 -3.107 -12.039 487 HA ILE 66 HA ILE 66 11.839 -0.992 -13.468 488 HB ILE 66 HB ILE 66 12.475 -1.639 -10.611 489 1HG1 ILE 66 1HG1 ILE 66 10.018 -1.727 -10.645 490 2HG1 ILE 66 2HG1 ILE 66 10.585 -0.287 -9.808 491 1HG2 ILE 66 1HG2 ILE 66 13.681 0.128 -11.781 492 2HG2 ILE 66 2HG2 ILE 66 12.157 0.957 -12.102 493 3HG2 ILE 66 3HG2 ILE 66 12.727 0.772 -10.443 494 1HD1 ILE 66 1HD1 ILE 66 10.278 0.616 -12.361 495 2HD1 ILE 66 2HD1 ILE 66 8.962 -0.547 -12.207 496 3HD1 ILE 66 3HD1 ILE 66 9.099 0.786 -11.061 497 H ILE 67 H ILE 67 13.613 -1.577 -14.633 498 HA ILE 67 HA ILE 67 15.246 -3.806 -13.754 499 HB ILE 67 HB ILE 67 15.790 -2.039 -16.135 500 1HG1 ILE 67 1HG1 ILE 67 13.486 -2.828 -16.346 501 2HG1 ILE 67 2HG1 ILE 67 14.521 -3.667 -17.496 502 1HG2 ILE 67 1HG2 ILE 67 17.540 -3.623 -15.327 503 2HG2 ILE 67 2HG2 ILE 67 16.429 -4.946 -15.682 504 3HG2 ILE 67 3HG2 ILE 67 17.006 -3.907 -16.984 505 1HD1 ILE 67 1HD1 ILE 67 13.753 -4.825 -14.836 506 2HD1 ILE 67 2HD1 ILE 67 12.826 -5.082 -16.314 507 3HD1 ILE 67 3HD1 ILE 67 14.493 -5.648 -16.211 508 H GLN 68 H GLN 68 15.685 -0.292 -14.296 509 HA GLN 68 HA GLN 68 17.883 -0.335 -12.386 510 1HB GLN 68 1HB GLN 68 18.214 0.357 -15.288 511 2HB GLN 68 2HB GLN 68 19.275 1.044 -14.065 512 1HG GLN 68 1HG GLN 68 19.454 -1.526 -13.382 513 2HG GLN 68 2HG GLN 68 19.103 -1.714 -15.099 514 1HE2 GLN 68 2HE2 GLN 68 20.414 0.579 -16.048 515 2HE2 GLN 68 1HE2 GLN 68 22.115 0.354 -15.847 516 H ALA 69 H ALA 69 18.491 1.679 -11.569 517 HA ALA 69 HA ALA 69 16.773 3.963 -12.268 518 1HB ALA 69 1HB ALA 69 15.894 2.850 -10.238 519 2HB ALA 69 2HB ALA 69 17.441 3.141 -9.443 520 3HB ALA 69 3HB ALA 69 16.435 4.502 -9.940 521 H ASN 70 H ASN 70 18.015 5.634 -12.853 522 HA ASN 70 HA ASN 70 19.855 6.955 -13.189 523 1HB ASN 70 1HB ASN 70 19.847 6.633 -10.189 524 2HB ASN 70 2HB ASN 70 20.852 7.806 -11.037 525 1HD2 ASN 70 2HD2 ASN 70 19.490 9.153 -9.496 526 2HD2 ASN 70 1HD2 ASN 70 18.020 9.794 -10.140 527 H GLY 71 H GLY 71 20.436 4.075 -13.372 528 1HA GLY 71 1HA GLY 71 22.523 3.189 -14.108 529 2HA GLY 71 2HA GLY 71 23.342 4.270 -12.998 530 H TYR 72 H TYR 72 20.883 3.008 -11.178 531 HA TYR 72 HA TYR 72 22.682 1.048 -9.998 532 1HB TYR 72 1HB TYR 72 19.985 2.011 -9.015 533 2HB TYR 72 2HB TYR 72 21.144 1.046 -8.107 534 HD1 TYR 72 HD1 TYR 72 23.671 2.517 -8.797 535 HD2 TYR 72 HD2 TYR 72 19.811 3.949 -7.714 536 HE1 TYR 72 HE1 TYR 72 24.687 4.575 -7.913 537 HE2 TYR 72 HE2 TYR 72 20.818 6.010 -6.830 538 HH TYR 72 HH TYR 72 23.112 7.316 -7.364 539 H SER 73 H SER 73 22.163 -1.122 -9.713 540 HA SER 73 HA SER 73 20.308 -2.175 -11.683 541 1HB SER 73 1HB SER 73 21.312 -4.361 -11.121 542 2HB SER 73 2HB SER 73 22.540 -3.164 -11.530 543 HG SER 73 HG SER 73 23.129 -3.029 -9.439 544 H PHE 74 H PHE 74 18.233 -2.291 -11.091 545 HA PHE 74 HA PHE 74 17.536 -2.898 -8.326 546 1HB PHE 74 1HB PHE 74 16.119 -1.730 -10.664 547 2HB PHE 74 2HB PHE 74 15.144 -2.590 -9.476 548 HD1 PHE 74 HD1 PHE 74 18.051 -0.254 -9.281 549 HD2 PHE 74 HD2 PHE 74 14.079 -1.158 -8.050 550 HE1 PHE 74 HE1 PHE 74 18.045 1.745 -7.846 551 HE2 PHE 74 HE2 PHE 74 14.065 0.839 -6.614 552 HZ PHE 74 HZ PHE 74 16.049 2.293 -6.510 553 H ILE 75 H ILE 75 18.400 -4.888 -10.743 554 HA ILE 75 HA ILE 75 16.146 -6.706 -10.642 555 HB ILE 75 HB ILE 75 17.403 -6.427 -12.751 556 1HG1 ILE 75 1HG1 ILE 75 17.857 -8.937 -13.115 557 2HG1 ILE 75 2HG1 ILE 75 17.345 -9.134 -11.441 558 1HG2 ILE 75 1HG2 ILE 75 19.649 -6.120 -11.699 559 2HG2 ILE 75 2HG2 ILE 75 19.688 -7.858 -11.406 560 3HG2 ILE 75 3HG2 ILE 75 19.628 -7.244 -13.057 561 1HD1 ILE 75 1HD1 ILE 75 15.189 -8.108 -12.002 562 2HD1 ILE 75 2HD1 ILE 75 15.707 -7.973 -13.682 563 3HD1 ILE 75 3HD1 ILE 75 15.508 -9.563 -12.946 564 H ASN 76 H ASN 76 15.892 -8.122 -9.026 565 HA ASN 76 HA ASN 76 16.314 -9.562 -7.321 566 1HB ASN 76 1HB ASN 76 18.764 -9.857 -9.013 567 2HB ASN 76 2HB ASN 76 18.761 -10.585 -7.409 568 1HD2 ASN 76 2HD2 ASN 76 16.408 -10.241 -10.049 569 2HD2 ASN 76 1HD2 ASN 76 15.974 -11.913 -10.105 570 H ILE 77 H ILE 77 16.132 -7.635 -6.001 571 HA ILE 77 HA ILE 77 18.484 -7.330 -4.317 572 HB ILE 77 HB ILE 77 18.167 -4.850 -4.202 573 1HG1 ILE 77 1HG1 ILE 77 16.794 -5.011 -6.861 574 2HG1 ILE 77 2HG1 ILE 77 15.840 -5.118 -5.384 575 1HG2 ILE 77 1HG2 ILE 77 19.994 -5.884 -5.467 576 2HG2 ILE 77 2HG2 ILE 77 18.970 -5.918 -6.902 577 3HG2 ILE 77 3HG2 ILE 77 19.454 -4.374 -6.201 578 1HD1 ILE 77 1HD1 ILE 77 17.681 -2.853 -6.115 579 2HD1 ILE 77 2HD1 ILE 77 15.923 -2.844 -6.260 580 3HD1 ILE 77 3HD1 ILE 77 16.676 -2.955 -4.670 581 H GLU 78 H GLU 78 17.982 -6.525 -2.203 582 HA GLU 78 HA GLU 78 15.488 -7.432 -1.215 583 1HB GLU 78 1HB GLU 78 17.512 -5.646 0.149 584 2HB GLU 78 2HB GLU 78 16.237 -6.563 0.941 585 1HG GLU 78 1HG GLU 78 17.269 -8.630 0.392 586 2HG GLU 78 2HG GLU 78 18.428 -7.837 -0.674 587 H HIS 79 H HIS 79 13.659 -6.346 -0.600 588 HA HIS 79 HA HIS 79 12.814 -4.126 -1.988 589 1HB HIS 79 1HB HIS 79 11.576 -5.844 -0.357 590 2HB HIS 79 2HB HIS 79 11.663 -4.462 0.730 591 HD1 HIS 79 HD1 HIS 79 9.197 -3.857 0.670 592 HD2 HIS 79 HD2 HIS 79 10.931 -4.048 -3.101 593 HE1 HIS 79 HE1 HIS 79 7.492 -2.888 -0.905 594 HE2 HIS 79 HE2 HIS 79 8.626 -2.879 -3.155 595 H GLY 80 H GLY 80 13.978 -4.120 1.398 596 1HA GLY 80 1HA GLY 80 13.734 -1.393 1.923 597 2HA GLY 80 2HA GLY 80 14.928 -2.445 2.666 598 H GLN 81 H GLN 81 16.104 -3.021 -0.050 599 HA GLN 81 HA GLN 81 17.991 -0.853 -0.058 600 1HB GLN 81 1HB GLN 81 18.540 -3.294 -0.500 601 2HB GLN 81 2HB GLN 81 17.780 -3.093 -2.073 602 1HG GLN 81 1HG GLN 81 20.125 -2.860 -2.358 603 2HG GLN 81 2HG GLN 81 19.398 -1.264 -2.547 604 1HE2 GLN 81 2HE2 GLN 81 20.778 -3.335 -0.016 605 2HE2 GLN 81 1HE2 GLN 81 21.631 -2.070 0.795 606 H ALA 82 H ALA 82 15.390 -1.995 -2.140 607 HA ALA 82 HA ALA 82 15.870 -0.175 -4.267 608 1HB ALA 82 1HB ALA 82 14.614 -2.276 -4.535 609 2HB ALA 82 2HB ALA 82 13.311 -1.602 -3.556 610 3HB ALA 82 3HB ALA 82 13.712 -0.874 -5.111 611 H VAL 83 H VAL 83 13.802 -0.085 -1.402 612 HA VAL 83 HA VAL 83 12.454 2.322 -2.115 613 HB VAL 83 HB VAL 83 12.825 1.196 0.668 614 1HG1 VAL 83 1HG1 VAL 83 11.976 3.551 0.443 615 2HG1 VAL 83 2HG1 VAL 83 10.575 2.891 -0.400 616 3HG1 VAL 83 3HG1 VAL 83 10.888 2.439 1.275 617 1HG2 VAL 83 1HG2 VAL 83 11.848 -0.381 -1.106 618 2HG2 VAL 83 2HG2 VAL 83 10.934 -0.149 0.384 619 3HG2 VAL 83 3HG2 VAL 83 10.446 0.688 -1.089 620 H SER 84 H SER 84 15.247 1.577 -0.068 621 HA SER 84 HA SER 84 15.696 4.163 0.918 622 1HB SER 84 1HB SER 84 17.549 1.821 0.478 623 2HB SER 84 2HB SER 84 18.078 3.323 1.237 624 HG SER 84 HG SER 84 17.443 2.007 2.879 625 H LEU 85 H LEU 85 16.803 2.569 -2.034 626 HA LEU 85 HA LEU 85 18.628 4.558 -2.849 627 1HB LEU 85 1HB LEU 85 17.143 2.370 -4.252 628 2HB LEU 85 2HB LEU 85 18.014 3.562 -5.199 629 HG LEU 85 HG LEU 85 19.186 1.665 -3.164 630 1HD1 LEU 85 1HD1 LEU 85 18.619 0.689 -5.347 631 2HD1 LEU 85 2HD1 LEU 85 19.606 1.918 -6.139 632 3HD1 LEU 85 3HD1 LEU 85 20.361 0.736 -5.069 633 1HD2 LEU 85 1HD2 LEU 85 20.429 3.960 -4.663 634 2HD2 LEU 85 2HD2 LEU 85 20.429 3.664 -2.925 635 3HD2 LEU 85 3HD2 LEU 85 21.374 2.630 -3.996 636 H LEU 86 H LEU 86 15.210 4.030 -3.648 637 HA LEU 86 HA LEU 86 14.966 6.176 -5.443 638 1HB LEU 86 1HB LEU 86 13.016 4.575 -3.836 639 2HB LEU 86 2HB LEU 86 12.468 5.966 -4.756 640 HG LEU 86 HG LEU 86 13.961 3.642 -5.967 641 1HD1 LEU 86 1HD1 LEU 86 11.769 2.972 -5.026 642 2HD1 LEU 86 2HD1 LEU 86 11.000 4.192 -6.041 643 3HD1 LEU 86 3HD1 LEU 86 11.851 2.837 -6.782 644 1HD2 LEU 86 1HD2 LEU 86 12.428 5.937 -7.181 645 2HD2 LEU 86 2HD2 LEU 86 14.174 5.699 -7.228 646 3HD2 LEU 86 3HD2 LEU 86 13.108 4.580 -8.078 647 H LYS 87 H LYS 87 14.456 5.992 -1.955 648 HA LYS 87 HA LYS 87 13.292 8.536 -1.646 649 1HB LYS 87 1HB LYS 87 14.875 6.886 0.329 650 2HB LYS 87 2HB LYS 87 13.892 8.285 0.742 651 1HG LYS 87 1HG LYS 87 12.582 6.087 -0.750 652 2HG LYS 87 2HG LYS 87 12.989 5.803 0.944 653 1HD LYS 87 1HD LYS 87 11.800 7.940 1.493 654 2HD LYS 87 2HD LYS 87 11.255 7.996 -0.185 655 1HE LYS 87 1HE LYS 87 9.483 7.009 0.998 656 2HE LYS 87 2HE LYS 87 10.311 5.666 0.210 657 1HZ LYS 87 1HZ LYS 87 10.764 6.484 3.028 658 2HZ LYS 87 2HZ LYS 87 9.725 5.237 2.555 659 3HZ LYS 87 3HZ LYS 87 11.386 5.114 2.258 660 H THR 88 H THR 88 16.680 7.485 -1.535 661 HA THR 88 HA THR 88 17.701 9.956 -0.611 662 HB THR 88 HB THR 88 18.928 7.882 -0.329 663 HG1 THR 88 HG1 THR 88 20.763 8.886 -0.526 664 1HG2 THR 88 1HG2 THR 88 20.229 7.121 -2.454 665 2HG2 THR 88 2HG2 THR 88 18.613 6.499 -2.124 666 3HG2 THR 88 3HG2 THR 88 18.836 7.795 -3.300 667 H PHE 89 H PHE 89 16.905 8.844 -3.844 668 HA PHE 89 HA PHE 89 18.561 10.285 -5.469 669 1HB PHE 89 1HB PHE 89 15.667 9.586 -5.745 670 2HB PHE 89 2HB PHE 89 16.445 10.574 -6.973 671 HD1 PHE 89 HD1 PHE 89 19.142 9.293 -7.090 672 HD2 PHE 89 HD2 PHE 89 15.246 7.597 -6.817 673 HE1 PHE 89 HE1 PHE 89 19.962 7.243 -8.167 674 HE2 PHE 89 HE2 PHE 89 16.065 5.543 -7.896 675 HZ PHE 89 HZ PHE 89 18.424 5.366 -8.573 676 H GLN 90 H GLN 90 17.942 12.190 -6.888 677 HA GLN 90 HA GLN 90 17.533 14.472 -5.145 678 1HB GLN 90 1HB GLN 90 18.348 14.336 -8.058 679 2HB GLN 90 2HB GLN 90 18.434 15.759 -7.026 680 1HG GLN 90 1HG GLN 90 20.562 15.131 -6.740 681 2HG GLN 90 2HG GLN 90 19.880 13.999 -5.574 682 1HE2 GLN 90 2HE2 GLN 90 20.968 12.173 -5.750 683 2HE2 GLN 90 1HE2 GLN 90 21.336 11.350 -7.224 684 H ASN 91 H ASN 91 16.573 16.058 -7.720 685 HA ASN 91 HA ASN 91 13.781 15.777 -7.101 686 1HB ASN 91 1HB ASN 91 15.272 17.557 -9.036 687 2HB ASN 91 2HB ASN 91 13.527 17.619 -8.798 688 1HD2 ASN 91 2HD2 ASN 91 16.619 18.430 -7.531 689 2HD2 ASN 91 1HD2 ASN 91 16.065 19.344 -6.174 690 H THR 92 H THR 92 15.476 15.816 -10.255 691 HA THR 92 HA THR 92 13.331 14.341 -11.484 692 HB THR 92 HB THR 92 15.873 14.594 -12.972 693 HG1 THR 92 HG1 THR 92 15.882 16.765 -13.072 694 1HG2 THR 92 1HG2 THR 92 13.448 15.945 -13.911 695 2HG2 THR 92 2HG2 THR 92 14.557 14.866 -14.758 696 3HG2 THR 92 3HG2 THR 92 13.311 14.199 -13.703 697 H VAL 93 H VAL 93 13.149 12.207 -11.586 698 HA VAL 93 HA VAL 93 15.537 10.561 -11.039 699 HB VAL 93 HB VAL 93 12.659 9.762 -10.572 700 1HG1 VAL 93 1HG1 VAL 93 14.216 7.901 -10.925 701 2HG1 VAL 93 2HG1 VAL 93 15.241 8.518 -9.630 702 3HG1 VAL 93 3HG1 VAL 93 13.614 7.942 -9.268 703 1HG2 VAL 93 1HG2 VAL 93 13.352 11.656 -9.126 704 2HG2 VAL 93 2HG2 VAL 93 13.001 10.180 -8.227 705 3HG2 VAL 93 3HG2 VAL 93 14.674 10.661 -8.516 706 H GLU 94 H GLU 94 16.299 9.673 -12.832 707 HA GLU 94 HA GLU 94 14.519 9.070 -15.059 708 1HB GLU 94 1HB GLU 94 17.147 9.986 -14.893 709 2HB GLU 94 2HB GLU 94 17.319 8.318 -15.423 710 1HG GLU 94 1HG GLU 94 16.156 8.688 -17.391 711 2HG GLU 94 2HG GLU 94 15.370 10.140 -16.770 712 H LEU 95 H LEU 95 13.497 7.171 -14.999 713 HA LEU 95 HA LEU 95 14.894 4.847 -13.841 714 1HB LEU 95 1HB LEU 95 11.980 5.559 -14.030 715 2HB LEU 95 2HB LEU 95 12.507 3.919 -13.700 716 HG LEU 95 HG LEU 95 13.515 6.156 -11.991 717 1HD1 LEU 95 1HD1 LEU 95 10.844 4.790 -11.696 718 2HD1 LEU 95 2HD1 LEU 95 11.600 5.831 -10.490 719 3HD1 LEU 95 3HD1 LEU 95 11.114 6.496 -12.051 720 1HD2 LEU 95 1HD2 LEU 95 14.438 3.858 -11.824 721 2HD2 LEU 95 2HD2 LEU 95 13.682 4.423 -10.335 722 3HD2 LEU 95 3HD2 LEU 95 12.831 3.285 -11.380 723 H ILE 96 H ILE 96 14.650 2.800 -14.808 724 HA ILE 96 HA ILE 96 13.944 2.858 -17.673 725 HB ILE 96 HB ILE 96 15.964 0.983 -16.440 726 1HG1 ILE 96 1HG1 ILE 96 16.652 3.427 -18.071 727 2HG1 ILE 96 2HG1 ILE 96 16.607 3.462 -16.312 728 1HG2 ILE 96 1HG2 ILE 96 14.884 0.290 -18.543 729 2HG2 ILE 96 2HG2 ILE 96 15.470 1.768 -19.308 730 3HG2 ILE 96 3HG2 ILE 96 16.617 0.560 -18.728 731 1HD1 ILE 96 1HD1 ILE 96 18.169 1.233 -17.165 732 2HD1 ILE 96 2HD1 ILE 96 18.729 2.693 -17.980 733 3HD1 ILE 96 3HD1 ILE 96 18.655 2.640 -16.219 734 H ILE 97 H ILE 97 12.419 1.414 -18.311 735 HA ILE 97 HA ILE 97 11.837 -0.871 -16.555 736 HB ILE 97 HB ILE 97 9.412 -0.488 -16.837 737 1HG1 ILE 97 1HG1 ILE 97 10.130 2.282 -17.795 738 2HG1 ILE 97 2HG1 ILE 97 9.761 0.974 -18.915 739 1HG2 ILE 97 1HG2 ILE 97 10.595 0.244 -14.818 740 2HG2 ILE 97 2HG2 ILE 97 10.888 1.815 -15.564 741 3HG2 ILE 97 3HG2 ILE 97 9.239 1.305 -15.200 742 1HD1 ILE 97 1HD1 ILE 97 7.820 1.524 -16.744 743 2HD1 ILE 97 2HD1 ILE 97 7.922 2.669 -18.082 744 3HD1 ILE 97 3HD1 ILE 97 7.550 0.975 -18.399 745 H VAL 98 H VAL 98 10.243 -2.408 -17.623 746 HA VAL 98 HA VAL 98 10.443 -2.447 -20.540 747 HB VAL 98 HB VAL 98 11.242 -4.848 -18.887 748 1HG1 VAL 98 1HG1 VAL 98 11.370 -4.283 -21.847 749 2HG1 VAL 98 2HG1 VAL 98 12.071 -5.698 -21.060 750 3HG1 VAL 98 3HG1 VAL 98 10.325 -5.448 -21.035 751 1HG2 VAL 98 1HG2 VAL 98 12.882 -2.997 -18.680 752 2HG2 VAL 98 2HG2 VAL 98 13.531 -4.422 -19.492 753 3HG2 VAL 98 3HG2 VAL 98 13.061 -3.008 -20.435 754 H ARG 99 H ARG 99 8.966 -3.903 -21.561 755 HA ARG 99 HA ARG 99 6.713 -4.714 -19.837 756 1HB ARG 99 1HB ARG 99 6.610 -3.839 -22.734 757 2HB ARG 99 2HB ARG 99 5.232 -4.307 -21.746 758 1HG ARG 99 1HG ARG 99 7.019 -1.936 -21.232 759 2HG ARG 99 2HG ARG 99 5.422 -1.877 -21.982 760 1HD ARG 99 1HD ARG 99 5.956 -2.966 -19.234 761 2HD ARG 99 2HD ARG 99 5.462 -1.306 -19.544 762 HE ARG 99 HE ARG 99 3.487 -2.510 -20.736 763 1HH1 ARG 99 1HH1 ARG 99 4.918 -3.504 -17.658 764 2HH1 ARG 99 2HH1 ARG 99 3.460 -4.247 -17.116 765 1HH2 ARG 99 1HH2 ARG 99 1.610 -3.478 -19.960 766 2HH2 ARG 99 2HH2 ARG 99 1.601 -4.231 -18.400 767 H GLU 100 H GLU 100 6.632 -6.840 -19.631 768 HA GLU 100 HA GLU 100 8.042 -8.659 -21.247 769 1HB GLU 100 1HB GLU 100 5.662 -9.366 -19.533 770 2HB GLU 100 2HB GLU 100 7.033 -10.384 -19.954 771 1HG GLU 100 1HG GLU 100 7.997 -9.789 -18.052 772 2HG GLU 100 2HG GLU 100 8.128 -8.148 -18.678 773 H VAL 101 H VAL 101 7.607 -9.410 -23.199 774 HA VAL 101 HA VAL 101 4.848 -9.233 -24.211 775 HB VAL 101 HB VAL 101 5.972 -9.577 -26.479 776 1HG1 VAL 101 1HG1 VAL 101 5.085 -7.418 -25.567 777 2HG1 VAL 101 2HG1 VAL 101 6.727 -7.041 -25.045 778 3HG1 VAL 101 3HG1 VAL 101 6.373 -7.250 -26.760 779 1HG2 VAL 101 1HG2 VAL 101 8.182 -10.213 -25.154 780 2HG2 VAL 101 2HG2 VAL 101 8.234 -9.453 -26.744 781 3HG2 VAL 101 3HG2 VAL 101 8.463 -8.478 -25.292 782 H SER 102 H SER 102 3.991 -11.152 -23.477 783 HA SER 102 HA SER 102 5.368 -13.638 -24.187 784 1HB SER 102 1HB SER 102 3.583 -14.702 -22.756 785 2HB SER 102 2HB SER 102 4.642 -13.581 -21.899 786 HG SER 102 HG SER 102 1.944 -13.367 -22.516 787 H SER 103 H SER 103 4.885 -14.513 -26.082 788 HA SER 103 HA SER 103 2.309 -13.940 -27.334 789 1HB SER 103 1HB SER 103 3.321 -14.933 -29.359 790 2HB SER 103 2HB SER 103 4.310 -13.627 -28.707 791 HG SER 103 HG SER 103 4.779 -16.391 -28.717 792 1H THR 301 1H THR 301 -1.773 -5.763 0.696 793 2H THR 301 2H THR 301 -2.681 -4.585 1.554 794 3H THR 301 3H THR 301 -3.486 -5.799 0.645 795 HA THR 301 HA THR 301 -3.476 -6.139 3.061 796 HB THR 301 HB THR 301 -2.033 -8.285 1.509 797 HG1 THR 301 HG1 THR 301 -3.585 -7.734 0.110 798 1HG2 THR 301 1HG2 THR 301 -3.795 -9.704 2.659 799 2HG2 THR 301 2HG2 THR 301 -2.481 -9.082 3.658 800 3HG2 THR 301 3HG2 THR 301 -4.067 -8.312 3.707 801 H GLY 302 H GLY 302 -0.857 -4.625 2.392 802 1HA GLY 302 1HA GLY 302 0.844 -4.140 3.948 803 2HA GLY 302 2HA GLY 302 0.614 -5.726 4.663 804 H TRP 303 H TRP 303 1.711 -4.236 1.607 805 HA TRP 303 HA TRP 303 4.178 -5.679 1.724 806 1HB TRP 303 1HB TRP 303 3.826 -6.807 -0.527 807 2HB TRP 303 2HB TRP 303 2.998 -7.528 0.847 808 HD1 TRP 303 HD1 TRP 303 0.334 -7.404 0.880 809 HE1 TRP 303 HE1 TRP 303 -1.393 -6.938 -0.968 810 HE3 TRP 303 HE3 TRP 303 3.447 -5.413 -2.652 811 HZ2 TRP 303 HZ2 TRP 303 -1.430 -5.873 -3.580 812 HZ3 TRP 303 HZ3 TRP 303 2.485 -4.699 -4.802 813 HH2 TRP 303 HH2 TRP 303 0.096 -4.925 -5.255 814 H GLU 304 H GLU 304 1.952 -3.836 -0.346 815 HA GLU 304 HA GLU 304 4.022 -2.793 -2.013 816 1HB GLU 304 1HB GLU 304 2.259 -1.203 -2.783 817 2HB GLU 304 2HB GLU 304 1.777 -2.893 -2.877 818 1HG GLU 304 1HG GLU 304 0.404 -2.694 -0.950 819 2HG GLU 304 2HG GLU 304 1.047 -1.095 -0.583 820 H THR 305 H THR 305 5.264 -1.026 -1.772 821 HA THR 305 HA THR 305 4.772 0.695 0.575 822 HB THR 305 HB THR 305 7.455 0.177 -0.713 823 HG1 THR 305 HG1 THR 305 7.779 -1.410 0.724 824 1HG2 THR 305 1HG2 THR 305 8.308 0.887 1.506 825 2HG2 THR 305 2HG2 THR 305 7.495 2.165 0.603 826 3HG2 THR 305 3HG2 THR 305 6.664 1.360 1.934 827 H TRP 306 H TRP 306 4.559 2.827 0.247 828 HA TRP 306 HA TRP 306 4.716 3.813 -2.490 829 1HB TRP 306 1HB TRP 306 3.511 4.879 0.053 830 2HB TRP 306 2HB TRP 306 3.719 5.913 -1.356 831 HD1 TRP 306 HD1 TRP 306 1.593 3.063 -0.024 832 HE1 TRP 306 HE1 TRP 306 -0.386 2.673 -1.625 833 HE3 TRP 306 HE3 TRP 306 3.046 6.105 -3.869 834 HZ2 TRP 306 HZ2 TRP 306 -1.219 3.541 -4.179 835 HZ3 TRP 306 HZ3 TRP 306 1.602 6.269 -5.854 836 HH2 TRP 306 HH2 TRP 306 -0.487 5.012 -6.005 837 H VAL 307 H VAL 307 6.546 4.690 -3.189 838 HA VAL 307 HA VAL 307 8.493 5.737 -1.301 839 HB VAL 307 HB VAL 307 9.914 6.041 -3.354 840 1HG1 VAL 307 1HG1 VAL 307 8.823 3.313 -2.702 841 2HG1 VAL 307 2HG1 VAL 307 10.253 3.587 -3.698 842 3HG1 VAL 307 3HG1 VAL 307 10.242 4.100 -2.011 843 1HG2 VAL 307 1HG2 VAL 307 7.814 6.120 -4.847 844 2HG2 VAL 307 2HG2 VAL 307 9.246 5.289 -5.451 845 3HG2 VAL 307 3HG2 VAL 307 7.898 4.360 -4.797 Start of MODEL 7 1 1H GLY 1 1H GLY 1 19.336 -13.702 -42.237 2 2H GLY 1 2H GLY 1 20.981 -13.334 -42.109 3 3H GLY 1 3H GLY 1 20.006 -13.337 -40.727 4 1HA GLY 1 1HA GLY 1 20.560 -15.733 -42.388 5 2HA GLY 1 2HA GLY 1 21.436 -15.330 -40.920 6 H SER 2 H SER 2 19.729 -17.654 -41.600 7 HA SER 2 HA SER 2 17.411 -17.350 -39.879 8 1HB SER 2 1HB SER 2 18.409 -19.873 -41.216 9 2HB SER 2 2HB SER 2 16.791 -19.560 -40.592 10 HG SER 2 HG SER 2 18.041 -18.524 -42.893 11 H HIS 3 H HIS 3 17.913 -17.256 -37.767 12 HA HIS 3 HA HIS 3 19.880 -19.143 -36.685 13 1HB HIS 3 1HB HIS 3 19.705 -17.723 -34.619 14 2HB HIS 3 2HB HIS 3 20.305 -16.872 -36.039 15 HD1 HIS 3 HD1 HIS 3 16.859 -17.459 -34.508 16 HD2 HIS 3 HD2 HIS 3 19.146 -14.450 -36.235 17 HE1 HIS 3 HE1 HIS 3 15.415 -15.402 -34.451 18 HE2 HIS 3 HE2 HIS 3 16.850 -13.574 -35.425 19 H MET 4 H MET 4 19.263 -19.766 -34.289 20 HA MET 4 HA MET 4 16.932 -21.414 -34.498 21 1HB MET 4 1HB MET 4 19.154 -21.901 -33.261 22 2HB MET 4 2HB MET 4 18.465 -20.947 -31.955 23 1HG MET 4 1HG MET 4 16.515 -22.479 -31.936 24 2HG MET 4 2HG MET 4 17.339 -23.473 -33.136 25 1HE MET 4 1HE MET 4 16.954 -25.477 -31.620 26 2HE MET 4 2HE MET 4 18.576 -25.635 -32.294 27 3HE MET 4 3HE MET 4 18.287 -26.004 -30.594 28 H GLY 5 H GLY 5 17.834 -18.603 -32.521 29 1HA GLY 5 1HA GLY 5 16.334 -16.892 -31.886 30 2HA GLY 5 2HA GLY 5 14.993 -17.983 -32.200 31 H HIS 6 H HIS 6 16.365 -16.347 -29.813 32 HA HIS 6 HA HIS 6 15.983 -18.469 -27.800 33 1HB HIS 6 1HB HIS 6 17.584 -15.907 -27.645 34 2HB HIS 6 2HB HIS 6 17.335 -17.008 -26.295 35 HD1 HIS 6 HD1 HIS 6 17.838 -19.691 -27.714 36 HD2 HIS 6 HD2 HIS 6 20.219 -16.317 -28.187 37 HE1 HIS 6 HE1 HIS 6 20.079 -20.548 -28.469 38 HE2 HIS 6 HE2 HIS 6 21.479 -18.483 -28.823 39 H GLU 7 H GLU 7 15.676 -14.916 -28.031 40 HA GLU 7 HA GLU 7 13.419 -15.031 -26.177 41 1HB GLU 7 1HB GLU 7 15.101 -12.759 -27.229 42 2HB GLU 7 2HB GLU 7 13.649 -12.499 -26.271 43 1HG GLU 7 1HG GLU 7 15.843 -14.264 -25.269 44 2HG GLU 7 2HG GLU 7 15.938 -12.511 -25.098 45 H LEU 8 H LEU 8 11.568 -13.522 -26.640 46 HA LEU 8 HA LEU 8 10.694 -13.939 -29.402 47 1HB LEU 8 1HB LEU 8 9.043 -13.036 -27.043 48 2HB LEU 8 2HB LEU 8 8.452 -13.612 -28.591 49 HG LEU 8 HG LEU 8 10.070 -15.366 -26.758 50 1HD1 LEU 8 1HD1 LEU 8 8.058 -14.529 -25.576 51 2HD1 LEU 8 2HD1 LEU 8 7.064 -15.186 -26.877 52 3HD1 LEU 8 3HD1 LEU 8 8.027 -16.268 -25.871 53 1HD2 LEU 8 1HD2 LEU 8 9.857 -16.020 -29.127 54 2HD2 LEU 8 2HD2 LEU 8 9.068 -17.158 -28.035 55 3HD2 LEU 8 3HD2 LEU 8 8.103 -16.003 -28.953 56 H ALA 9 H ALA 9 10.277 -11.380 -26.945 57 HA ALA 9 HA ALA 9 11.273 -9.326 -28.644 58 1HB ALA 9 1HB ALA 9 8.279 -9.486 -28.302 59 2HB ALA 9 2HB ALA 9 9.149 -8.091 -28.941 60 3HB ALA 9 3HB ALA 9 9.181 -9.625 -29.811 61 H LYS 10 H LYS 10 11.426 -7.302 -27.572 62 HA LYS 10 HA LYS 10 10.202 -6.761 -25.078 63 1HB LYS 10 1HB LYS 10 11.956 -8.647 -24.626 64 2HB LYS 10 2HB LYS 10 13.123 -7.336 -24.741 65 1HG LYS 10 1HG LYS 10 12.649 -7.533 -22.464 66 2HG LYS 10 2HG LYS 10 11.718 -6.136 -23.004 67 1HD LYS 10 1HD LYS 10 10.233 -7.353 -21.658 68 2HD LYS 10 2HD LYS 10 9.779 -7.771 -23.312 69 1HE LYS 10 1HE LYS 10 9.808 -9.776 -21.996 70 2HE LYS 10 2HE LYS 10 11.168 -9.819 -23.116 71 1HZ LYS 10 1HZ LYS 10 11.420 -8.915 -20.305 72 2HZ LYS 10 2HZ LYS 10 11.670 -10.517 -20.783 73 3HZ LYS 10 3HZ LYS 10 12.666 -9.289 -21.386 74 H GLN 11 H GLN 11 10.052 -4.615 -25.136 75 HA GLN 11 HA GLN 11 12.235 -3.063 -26.355 76 1HB GLN 11 1HB GLN 11 10.459 -1.242 -26.479 77 2HB GLN 11 2HB GLN 11 10.212 -2.642 -27.512 78 1HG GLN 11 1HG GLN 11 8.580 -3.541 -25.997 79 2HG GLN 11 2HG GLN 11 8.898 -2.253 -24.835 80 1HE2 GLN 11 2HE2 GLN 11 7.569 -2.993 -27.990 81 2HE2 GLN 11 1HE2 GLN 11 6.569 -1.590 -28.110 82 H GLU 12 H GLU 12 13.590 -2.162 -24.950 83 HA GLU 12 HA GLU 12 12.673 -1.512 -22.248 84 1HB GLU 12 1HB GLU 12 14.735 -2.859 -22.598 85 2HB GLU 12 2HB GLU 12 15.470 -1.469 -23.385 86 1HG GLU 12 1HG GLU 12 15.435 -0.208 -21.373 87 2HG GLU 12 2HG GLU 12 14.440 -1.419 -20.565 88 H ILE 13 H ILE 13 11.755 0.466 -22.103 89 HA ILE 13 HA ILE 13 13.062 2.727 -23.467 90 HB ILE 13 HB ILE 13 10.911 3.934 -23.092 91 1HG1 ILE 13 1HG1 ILE 13 9.891 1.192 -22.314 92 2HG1 ILE 13 2HG1 ILE 13 10.126 2.532 -21.194 93 1HG2 ILE 13 1HG2 ILE 13 10.796 1.372 -24.676 94 2HG2 ILE 13 2HG2 ILE 13 9.692 2.733 -24.867 95 3HG2 ILE 13 3HG2 ILE 13 11.405 2.931 -25.235 96 1HD1 ILE 13 1HD1 ILE 13 8.402 2.968 -23.572 97 2HD1 ILE 13 2HD1 ILE 13 7.775 2.001 -22.236 98 3HD1 ILE 13 3HD1 ILE 13 8.299 3.661 -21.953 99 H ARG 14 H ARG 14 12.883 4.856 -22.309 100 HA ARG 14 HA ARG 14 13.438 4.493 -19.434 101 1HB ARG 14 1HB ARG 14 14.861 5.893 -21.569 102 2HB ARG 14 2HB ARG 14 14.586 6.926 -20.173 103 1HG ARG 14 1HG ARG 14 15.471 4.759 -18.906 104 2HG ARG 14 2HG ARG 14 16.279 4.518 -20.455 105 1HD ARG 14 1HD ARG 14 16.406 7.227 -19.250 106 2HD ARG 14 2HD ARG 14 17.352 5.954 -18.481 107 HE ARG 14 HE ARG 14 17.952 7.271 -20.918 108 1HH1 ARG 14 1HH1 ARG 14 18.155 4.112 -19.396 109 2HH1 ARG 14 2HH1 ARG 14 19.508 3.611 -20.354 110 1HH2 ARG 14 1HH2 ARG 14 19.725 6.591 -22.161 111 2HH2 ARG 14 2HH2 ARG 14 20.396 5.013 -21.916 112 H VAL 15 H VAL 15 13.031 6.440 -18.075 113 HA VAL 15 HA VAL 15 10.988 8.275 -19.037 114 HB VAL 15 HB VAL 15 9.548 7.835 -17.025 115 1HG1 VAL 15 1HG1 VAL 15 8.954 7.056 -19.276 116 2HG1 VAL 15 2HG1 VAL 15 9.813 5.547 -18.971 117 3HG1 VAL 15 3HG1 VAL 15 8.381 5.954 -18.024 118 1HG2 VAL 15 1HG2 VAL 15 11.184 6.621 -15.684 119 2HG2 VAL 15 2HG2 VAL 15 9.730 5.656 -15.933 120 3HG2 VAL 15 3HG2 VAL 15 11.188 5.309 -16.862 121 H ARG 16 H ARG 16 10.488 9.973 -17.362 122 HA ARG 16 HA ARG 16 12.725 10.377 -15.488 123 1HB ARG 16 1HB ARG 16 12.801 11.691 -17.754 124 2HB ARG 16 2HB ARG 16 11.590 12.709 -16.987 125 1HG ARG 16 1HG ARG 16 13.069 13.626 -15.550 126 2HG ARG 16 2HG ARG 16 13.999 12.137 -15.386 127 1HD ARG 16 1HD ARG 16 15.424 13.649 -16.494 128 2HD ARG 16 2HD ARG 16 14.827 12.561 -17.746 129 HE ARG 16 HE ARG 16 13.295 14.989 -17.432 130 1HH1 ARG 16 1HH1 ARG 16 15.991 13.476 -19.102 131 2HH1 ARG 16 2HH1 ARG 16 15.947 14.595 -20.423 132 1HH2 ARG 16 1HH2 ARG 16 13.259 16.441 -19.176 133 2HH2 ARG 16 2HH2 ARG 16 14.404 16.269 -20.465 134 H VAL 17 H VAL 17 11.998 10.644 -13.482 135 HA VAL 17 HA VAL 17 9.341 11.876 -13.087 136 HB VAL 17 HB VAL 17 10.698 9.959 -11.188 137 1HG1 VAL 17 1HG1 VAL 17 9.037 11.517 -10.220 138 2HG1 VAL 17 2HG1 VAL 17 7.828 10.875 -11.332 139 3HG1 VAL 17 3HG1 VAL 17 8.548 9.827 -10.108 140 1HG2 VAL 17 1HG2 VAL 17 10.172 8.860 -13.340 141 2HG2 VAL 17 2HG2 VAL 17 9.217 8.229 -11.999 142 3HG2 VAL 17 3HG2 VAL 17 8.488 9.349 -13.150 143 H GLU 18 H GLU 18 9.228 13.681 -11.883 144 HA GLU 18 HA GLU 18 11.681 14.594 -10.535 145 1HB GLU 18 1HB GLU 18 9.420 15.993 -11.892 146 2HB GLU 18 2HB GLU 18 10.246 16.827 -10.582 147 1HG GLU 18 1HG GLU 18 11.934 15.599 -12.678 148 2HG GLU 18 2HG GLU 18 11.002 17.030 -13.117 149 H LYS 19 H LYS 19 11.733 14.612 -8.374 150 HA LYS 19 HA LYS 19 9.485 13.841 -6.816 151 1HB LYS 19 1HB LYS 19 12.159 14.960 -5.967 152 2HB LYS 19 2HB LYS 19 10.987 14.216 -4.887 153 1HG LYS 19 1HG LYS 19 11.733 12.563 -7.189 154 2HG LYS 19 2HG LYS 19 13.059 12.926 -6.086 155 1HD LYS 19 1HD LYS 19 11.205 12.259 -4.287 156 2HD LYS 19 2HD LYS 19 10.607 11.316 -5.653 157 1HE LYS 19 1HE LYS 19 12.391 9.912 -5.640 158 2HE LYS 19 2HE LYS 19 13.509 11.166 -5.106 159 1HZ LYS 19 1HZ LYS 19 11.518 9.787 -3.387 160 2HZ LYS 19 2HZ LYS 19 13.181 9.481 -3.407 161 3HZ LYS 19 3HZ LYS 19 12.602 10.981 -2.877 162 H ASP 20 H ASP 20 7.948 15.524 -7.428 163 HA ASP 20 HA ASP 20 8.226 17.869 -5.688 164 1HB ASP 20 1HB ASP 20 8.790 18.421 -8.107 165 2HB ASP 20 2HB ASP 20 7.104 18.080 -8.483 166 HA PRO 21 HA PRO 21 7.659 17.468 -3.807 167 1HB PRO 21 1HB PRO 21 6.113 16.058 -1.847 168 2HB PRO 21 2HB PRO 21 6.366 17.798 -1.980 169 1HG PRO 21 1HG PRO 21 3.946 16.512 -2.363 170 2HG PRO 21 2HG PRO 21 4.349 18.128 -2.968 171 1HD PRO 21 1HD PRO 21 4.367 15.503 -4.405 172 2HD PRO 21 2HD PRO 21 3.854 17.104 -4.982 173 H GLU 22 H GLU 22 6.057 14.473 -4.693 174 HA GLU 22 HA GLU 22 8.542 13.028 -4.105 175 1HB GLU 22 1HB GLU 22 5.763 12.227 -3.248 176 2HB GLU 22 2HB GLU 22 7.091 11.080 -3.333 177 1HG GLU 22 1HG GLU 22 7.199 13.599 -1.701 178 2HG GLU 22 2HG GLU 22 6.627 12.054 -1.069 179 H LEU 23 H LEU 23 8.097 10.596 -4.986 180 HA LEU 23 HA LEU 23 8.041 10.831 -7.791 181 1HB LEU 23 1HB LEU 23 7.741 8.378 -6.053 182 2HB LEU 23 2HB LEU 23 8.000 8.349 -7.789 183 HG LEU 23 HG LEU 23 10.100 9.899 -6.982 184 1HD1 LEU 23 1HD1 LEU 23 9.420 8.019 -4.752 185 2HD1 LEU 23 2HD1 LEU 23 11.089 8.488 -5.077 186 3HD1 LEU 23 3HD1 LEU 23 9.889 9.717 -4.673 187 1HD2 LEU 23 1HD2 LEU 23 9.963 6.901 -7.278 188 2HD2 LEU 23 2HD2 LEU 23 10.342 8.088 -8.527 189 3HD2 LEU 23 3HD2 LEU 23 11.468 7.818 -7.196 190 H GLY 24 H GLY 24 5.684 9.217 -5.635 191 1HA GLY 24 1HA GLY 24 3.324 9.552 -5.815 192 2HA GLY 24 2HA GLY 24 3.555 10.050 -7.481 193 H PHE 25 H PHE 25 4.930 7.105 -6.062 194 HA PHE 25 HA PHE 25 2.843 5.430 -7.082 195 1HB PHE 25 1HB PHE 25 4.054 4.289 -8.818 196 2HB PHE 25 2HB PHE 25 4.092 6.011 -9.167 197 HD1 PHE 25 HD1 PHE 25 6.071 3.133 -8.021 198 HD2 PHE 25 HD2 PHE 25 6.156 7.213 -9.230 199 HE1 PHE 25 HE1 PHE 25 8.520 3.018 -8.226 200 HE2 PHE 25 HE2 PHE 25 8.605 7.102 -9.441 201 HZ PHE 25 HZ PHE 25 9.789 5.004 -8.937 202 H SER 26 H SER 26 3.094 3.206 -6.521 203 HA SER 26 HA SER 26 5.013 2.814 -4.327 204 1HB SER 26 1HB SER 26 3.377 0.828 -3.846 205 2HB SER 26 2HB SER 26 2.901 2.471 -3.415 206 HG SER 26 HG SER 26 2.198 1.158 -5.832 207 H ILE 27 H ILE 27 6.215 0.925 -4.156 208 HA ILE 27 HA ILE 27 6.425 -0.663 -6.634 209 HB ILE 27 HB ILE 27 8.807 -1.015 -6.059 210 1HG1 ILE 27 1HG1 ILE 27 8.467 1.183 -4.019 211 2HG1 ILE 27 2HG1 ILE 27 8.428 -0.521 -3.579 212 1HG2 ILE 27 1HG2 ILE 27 8.151 0.741 -7.626 213 2HG2 ILE 27 2HG2 ILE 27 8.001 1.883 -6.290 214 3HG2 ILE 27 3HG2 ILE 27 9.578 1.211 -6.703 215 1HD1 ILE 27 1HD1 ILE 27 10.737 0.223 -5.197 216 2HD1 ILE 27 2HD1 ILE 27 10.651 1.047 -3.641 217 3HD1 ILE 27 3HD1 ILE 27 10.644 -0.716 -3.707 218 H SER 28 H SER 28 6.785 -2.898 -6.441 219 HA SER 28 HA SER 28 6.650 -4.046 -3.749 220 1HB SER 28 1HB SER 28 4.895 -5.645 -4.501 221 2HB SER 28 2HB SER 28 4.335 -3.974 -4.478 222 HG SER 28 HG SER 28 4.979 -5.603 -6.684 223 H GLY 29 H GLY 29 7.270 -6.293 -3.644 224 1HA GLY 29 1HA GLY 29 8.104 -8.280 -4.752 225 2HA GLY 29 2HA GLY 29 8.761 -7.244 -6.008 226 H GLY 30 H GLY 30 10.771 -8.380 -5.662 227 1HA GLY 30 1HA GLY 30 12.977 -7.689 -4.940 228 2HA GLY 30 2HA GLY 30 12.277 -7.242 -3.392 229 H VAL 31 H VAL 31 14.546 -8.981 -3.899 230 HA VAL 31 HA VAL 31 13.666 -11.685 -3.429 231 HB VAL 31 HB VAL 31 16.466 -10.602 -3.096 232 1HG1 VAL 31 1HG1 VAL 31 15.992 -12.844 -2.153 233 2HG1 VAL 31 2HG1 VAL 31 15.505 -13.382 -3.761 234 3HG1 VAL 31 3HG1 VAL 31 17.168 -12.877 -3.467 235 1HG2 VAL 31 1HG2 VAL 31 15.611 -10.034 -5.325 236 2HG2 VAL 31 2HG2 VAL 31 16.882 -11.256 -5.406 237 3HG2 VAL 31 3HG2 VAL 31 15.193 -11.727 -5.591 238 H GLY 32 H GLY 32 12.737 -12.116 -1.525 239 1HA GLY 32 1HA GLY 32 12.838 -12.651 0.749 240 2HA GLY 32 2HA GLY 32 14.276 -11.657 0.898 241 H GLY 33 H GLY 33 12.111 -9.708 -0.698 242 1HA GLY 33 1HA GLY 33 11.526 -8.252 1.734 243 2HA GLY 33 2HA GLY 33 11.195 -7.724 0.093 244 H ARG 34 H ARG 34 9.116 -7.016 0.808 245 HA ARG 34 HA ARG 34 7.225 -8.649 2.061 246 1HB ARG 34 1HB ARG 34 6.407 -6.540 0.078 247 2HB ARG 34 2HB ARG 34 5.607 -7.029 1.560 248 1HG ARG 34 1HG ARG 34 8.143 -6.079 2.322 249 2HG ARG 34 2HG ARG 34 7.523 -4.942 1.129 250 1HD ARG 34 1HD ARG 34 5.771 -4.294 2.455 251 2HD ARG 34 2HD ARG 34 5.706 -5.837 3.307 252 HE ARG 34 HE ARG 34 7.125 -4.973 4.867 253 1HH1 ARG 34 1HH1 ARG 34 7.428 -3.013 1.969 254 2HH1 ARG 34 2HH1 ARG 34 8.479 -1.860 2.721 255 1HH2 ARG 34 1HH2 ARG 34 8.501 -3.448 5.831 256 2HH2 ARG 34 2HH2 ARG 34 9.085 -2.108 4.904 257 H GLY 35 H GLY 35 8.256 -8.581 -1.278 258 1HA GLY 35 1HA GLY 35 7.829 -10.319 -2.804 259 2HA GLY 35 2HA GLY 35 6.464 -10.824 -1.819 260 H ASN 36 H ASN 36 6.372 -10.574 -4.622 261 HA ASN 36 HA ASN 36 4.560 -8.267 -4.950 262 1HB ASN 36 1HB ASN 36 5.141 -8.325 -7.361 263 2HB ASN 36 2HB ASN 36 6.542 -8.004 -6.343 264 1HD2 ASN 36 2HD2 ASN 36 8.260 -9.299 -6.490 265 2HD2 ASN 36 1HD2 ASN 36 8.332 -10.748 -7.427 266 HA PRO 37 HA PRO 37 1.716 -11.632 -5.849 267 1HB PRO 37 1HB PRO 37 -0.586 -10.194 -5.760 268 2HB PRO 37 2HB PRO 37 0.289 -10.711 -4.318 269 1HG PRO 37 1HG PRO 37 -0.007 -8.028 -5.448 270 2HG PRO 37 2HG PRO 37 0.508 -8.511 -3.824 271 1HD PRO 37 1HD PRO 37 2.140 -7.691 -6.067 272 2HD PRO 37 2HD PRO 37 2.646 -8.062 -4.409 273 H PHE 38 H PHE 38 3.063 -10.799 -8.077 274 HA PHE 38 HA PHE 38 0.910 -10.636 -10.075 275 1HB PHE 38 1HB PHE 38 3.461 -9.032 -10.012 276 2HB PHE 38 2HB PHE 38 2.531 -9.266 -11.486 277 HD1 PHE 38 HD1 PHE 38 2.522 -7.751 -8.140 278 HD2 PHE 38 HD2 PHE 38 0.498 -8.087 -11.868 279 HE1 PHE 38 HE1 PHE 38 1.108 -5.828 -7.542 280 HE2 PHE 38 HE2 PHE 38 -0.919 -6.162 -11.278 281 HZ PHE 38 HZ PHE 38 -0.614 -5.031 -9.112 282 H ARG 39 H ARG 39 4.396 -11.263 -9.636 283 HA ARG 39 HA ARG 39 4.206 -13.354 -11.707 284 1HB ARG 39 1HB ARG 39 6.688 -11.955 -10.690 285 2HB ARG 39 2HB ARG 39 6.602 -13.091 -12.030 286 1HG ARG 39 1HG ARG 39 5.045 -10.531 -12.050 287 2HG ARG 39 2HG ARG 39 6.730 -10.594 -12.565 288 1HD ARG 39 1HD ARG 39 5.962 -11.138 -14.589 289 2HD ARG 39 2HD ARG 39 5.547 -12.712 -13.911 290 HE ARG 39 HE ARG 39 3.381 -11.249 -13.299 291 1HH1 ARG 39 1HH1 ARG 39 5.110 -11.652 -16.331 292 2HH1 ARG 39 2HH1 ARG 39 3.700 -11.390 -17.301 293 1HH2 ARG 39 1HH2 ARG 39 1.548 -10.911 -14.594 294 2HH2 ARG 39 2HH2 ARG 39 1.687 -10.971 -16.319 295 HA PRO 40 HA PRO 40 5.043 -16.208 -8.382 296 1HB PRO 40 1HB PRO 40 5.149 -18.499 -9.748 297 2HB PRO 40 2HB PRO 40 3.642 -17.592 -9.586 298 1HG PRO 40 1HG PRO 40 5.496 -17.788 -11.910 299 2HG PRO 40 2HG PRO 40 3.728 -17.690 -11.888 300 1HD PRO 40 1HD PRO 40 5.482 -15.563 -12.360 301 2HD PRO 40 2HD PRO 40 3.765 -15.419 -11.938 302 H ASP 41 H ASP 41 7.064 -16.663 -11.301 303 HA ASP 41 HA ASP 41 9.239 -17.659 -9.635 304 1HB ASP 41 1HB ASP 41 8.769 -17.598 -12.605 305 2HB ASP 41 2HB ASP 41 10.337 -18.021 -11.924 306 H ASP 42 H ASP 42 8.295 -14.624 -10.863 307 HA ASP 42 HA ASP 42 11.076 -13.694 -11.029 308 1HB ASP 42 1HB ASP 42 9.296 -13.197 -12.850 309 2HB ASP 42 2HB ASP 42 8.667 -12.022 -11.699 310 H ASP 43 H ASP 43 11.913 -12.864 -9.240 311 HA ASP 43 HA ASP 43 10.112 -11.687 -7.237 312 1HB ASP 43 1HB ASP 43 12.037 -12.000 -5.672 313 2HB ASP 43 2HB ASP 43 11.439 -13.504 -6.367 314 H GLY 44 H GLY 44 10.859 -10.201 -9.573 315 1HA GLY 44 1HA GLY 44 12.917 -8.322 -8.765 316 2HA GLY 44 2HA GLY 44 11.967 -8.260 -10.242 317 H ILE 45 H ILE 45 11.702 -5.976 -9.872 318 HA ILE 45 HA ILE 45 9.798 -5.337 -7.705 319 HB ILE 45 HB ILE 45 11.422 -3.280 -9.196 320 1HG1 ILE 45 1HG1 ILE 45 13.001 -4.848 -8.130 321 2HG1 ILE 45 2HG1 ILE 45 13.022 -3.276 -7.339 322 1HG2 ILE 45 1HG2 ILE 45 10.010 -3.262 -6.535 323 2HG2 ILE 45 2HG2 ILE 45 10.956 -1.928 -7.196 324 3HG2 ILE 45 3HG2 ILE 45 9.484 -2.456 -8.013 325 1HD1 ILE 45 1HD1 ILE 45 11.414 -5.589 -6.310 326 2HD1 ILE 45 2HD1 ILE 45 13.083 -5.281 -5.827 327 3HD1 ILE 45 3HD1 ILE 45 11.829 -4.091 -5.478 328 H PHE 46 H PHE 46 7.905 -4.255 -8.182 329 HA PHE 46 HA PHE 46 7.383 -3.554 -10.982 330 1HB PHE 46 1HB PHE 46 5.577 -5.321 -9.315 331 2HB PHE 46 2HB PHE 46 5.221 -4.726 -10.933 332 HD1 PHE 46 HD1 PHE 46 7.527 -6.876 -8.997 333 HD2 PHE 46 HD2 PHE 46 5.991 -5.856 -12.833 334 HE1 PHE 46 HE1 PHE 46 8.638 -8.848 -9.961 335 HE2 PHE 46 HE2 PHE 46 7.098 -7.827 -13.804 336 HZ PHE 46 HZ PHE 46 8.424 -9.325 -12.368 337 H VAL 47 H VAL 47 5.602 -2.101 -11.281 338 HA VAL 47 HA VAL 47 5.129 -0.430 -8.920 339 HB VAL 47 HB VAL 47 4.487 0.247 -11.793 340 1HG1 VAL 47 1HG1 VAL 47 4.833 1.967 -9.340 341 2HG1 VAL 47 2HG1 VAL 47 4.528 2.556 -10.975 342 3HG1 VAL 47 3HG1 VAL 47 3.310 1.589 -10.145 343 1HG2 VAL 47 1HG2 VAL 47 6.933 -0.270 -11.351 344 2HG2 VAL 47 2HG2 VAL 47 6.575 1.324 -12.016 345 3HG2 VAL 47 3HG2 VAL 47 6.940 1.146 -10.300 346 H THR 48 H THR 48 3.587 -2.048 -8.110 347 HA THR 48 HA THR 48 1.354 -3.113 -9.083 348 HB THR 48 HB THR 48 1.982 -3.336 -6.759 349 HG1 THR 48 HG1 THR 48 -0.041 -3.959 -6.830 350 1HG2 THR 48 1HG2 THR 48 0.766 -0.640 -6.245 351 2HG2 THR 48 2HG2 THR 48 1.539 -1.721 -5.085 352 3HG2 THR 48 3HG2 THR 48 2.502 -0.935 -6.335 353 H ARG 49 H ARG 49 1.282 0.316 -7.946 354 HA ARG 49 HA ARG 49 -0.672 0.939 -9.959 355 1HB ARG 49 1HB ARG 49 -2.489 1.592 -8.500 356 2HB ARG 49 2HB ARG 49 -2.100 -0.101 -8.245 357 1HG ARG 49 1HG ARG 49 -1.284 0.255 -6.136 358 2HG ARG 49 2HG ARG 49 -0.850 1.934 -6.470 359 1HD ARG 49 1HD ARG 49 -3.124 2.629 -6.356 360 2HD ARG 49 2HD ARG 49 -3.696 0.962 -6.328 361 HE ARG 49 HE ARG 49 -2.189 1.077 -4.110 362 1HH1 ARG 49 1HH1 ARG 49 -4.728 3.198 -5.293 363 2HH1 ARG 49 2HH1 ARG 49 -5.221 3.682 -3.705 364 1HH2 ARG 49 1HH2 ARG 49 -2.855 1.728 -2.039 365 2HH2 ARG 49 2HH2 ARG 49 -4.162 2.852 -1.867 366 H VAL 50 H VAL 50 -1.585 3.248 -9.542 367 HA VAL 50 HA VAL 50 0.524 4.970 -8.417 368 HB VAL 50 HB VAL 50 -0.920 5.570 -11.003 369 1HG1 VAL 50 1HG1 VAL 50 -0.120 7.518 -9.749 370 2HG1 VAL 50 2HG1 VAL 50 1.507 6.835 -9.739 371 3HG1 VAL 50 3HG1 VAL 50 0.759 7.309 -11.265 372 1HG2 VAL 50 1HG2 VAL 50 0.516 3.609 -11.302 373 2HG2 VAL 50 2HG2 VAL 50 1.146 5.008 -12.169 374 3HG2 VAL 50 3HG2 VAL 50 1.883 4.511 -10.646 375 H GLN 51 H GLN 51 -0.192 7.031 -7.664 376 HA GLN 51 HA GLN 51 -3.073 7.103 -7.090 377 1HB GLN 51 1HB GLN 51 -0.658 7.960 -5.593 378 2HB GLN 51 2HB GLN 51 -2.109 8.932 -5.387 379 1HG GLN 51 1HG GLN 51 -2.288 5.971 -5.126 380 2HG GLN 51 2HG GLN 51 -1.612 6.921 -3.803 381 1HE2 GLN 51 2HE2 GLN 51 -4.447 6.010 -5.506 382 2HE2 GLN 51 1HE2 GLN 51 -5.586 6.840 -4.508 383 HA PRO 52 HA PRO 52 -2.479 11.597 -8.482 384 1HB PRO 52 1HB PRO 52 -0.069 12.686 -8.926 385 2HB PRO 52 2HB PRO 52 -0.745 12.554 -7.297 386 1HG PRO 52 1HG PRO 52 1.292 10.829 -8.647 387 2HG PRO 52 2HG PRO 52 1.272 11.446 -6.985 388 1HD PRO 52 1HD PRO 52 0.502 8.908 -7.677 389 2HD PRO 52 2HD PRO 52 -0.108 9.770 -6.252 390 H GLU 53 H GLU 53 -3.211 11.701 -10.503 391 HA GLU 53 HA GLU 53 -1.934 10.242 -12.630 392 1HB GLU 53 1HB GLU 53 -4.389 11.999 -12.537 393 2HB GLU 53 2HB GLU 53 -3.833 11.197 -14.000 394 1HG GLU 53 1HG GLU 53 -4.166 9.040 -13.024 395 2HG GLU 53 2HG GLU 53 -4.524 9.756 -11.454 396 H GLY 54 H GLY 54 0.068 11.690 -12.178 397 1HA GLY 54 1HA GLY 54 0.202 13.593 -14.354 398 2HA GLY 54 2HA GLY 54 0.400 14.307 -12.763 399 HA PRO 55 HA PRO 55 4.708 13.411 -12.673 400 1HB PRO 55 1HB PRO 55 5.131 11.893 -10.402 401 2HB PRO 55 2HB PRO 55 4.974 13.650 -10.431 402 1HG PRO 55 1HG PRO 55 2.932 11.574 -9.764 403 2HG PRO 55 2HG PRO 55 3.226 13.148 -9.001 404 1HD PRO 55 1HD PRO 55 1.193 12.770 -10.713 405 2HD PRO 55 2HD PRO 55 2.088 14.303 -10.654 406 H ALA 56 H ALA 56 3.727 10.347 -11.139 407 HA ALA 56 HA ALA 56 5.105 8.931 -13.315 408 1HB ALA 56 1HB ALA 56 4.699 8.307 -10.414 409 2HB ALA 56 2HB ALA 56 5.099 7.033 -11.566 410 3HB ALA 56 3HB ALA 56 6.199 8.394 -11.338 411 H SER 57 H SER 57 2.584 9.721 -13.955 412 HA SER 57 HA SER 57 0.924 7.304 -13.653 413 1HB SER 57 1HB SER 57 -0.986 8.716 -14.257 414 2HB SER 57 2HB SER 57 -0.127 9.401 -12.876 415 HG SER 57 HG SER 57 -0.481 10.408 -15.402 416 H LYS 58 H LYS 58 1.548 9.862 -16.050 417 HA LYS 58 HA LYS 58 0.777 8.261 -18.265 418 1HB LYS 58 1HB LYS 58 0.829 10.818 -18.084 419 2HB LYS 58 2HB LYS 58 2.549 10.683 -18.424 420 1HG LYS 58 1HG LYS 58 2.200 9.932 -20.582 421 2HG LYS 58 2HG LYS 58 0.558 9.388 -20.234 422 1HD LYS 58 1HD LYS 58 0.210 11.315 -21.481 423 2HD LYS 58 2HD LYS 58 0.068 11.892 -19.819 424 1HE LYS 58 1HE LYS 58 2.744 11.953 -21.117 425 2HE LYS 58 2HE LYS 58 1.550 13.154 -21.605 426 1HZ LYS 58 1HZ LYS 58 1.293 13.657 -19.175 427 2HZ LYS 58 2HZ LYS 58 2.664 12.705 -18.897 428 3HZ LYS 58 3HZ LYS 58 2.780 14.098 -19.851 429 H LEU 59 H LEU 59 3.703 8.350 -16.434 430 HA LEU 59 HA LEU 59 5.316 7.386 -18.665 431 1HB LEU 59 1HB LEU 59 6.042 7.915 -15.784 432 2HB LEU 59 2HB LEU 59 7.171 7.442 -17.042 433 HG LEU 59 HG LEU 59 5.533 9.971 -17.156 434 1HD1 LEU 59 1HD1 LEU 59 7.055 9.944 -15.199 435 2HD1 LEU 59 2HD1 LEU 59 8.406 9.673 -16.300 436 3HD1 LEU 59 3HD1 LEU 59 7.472 11.166 -16.400 437 1HD2 LEU 59 1HD2 LEU 59 6.367 9.065 -19.300 438 2HD2 LEU 59 2HD2 LEU 59 7.088 10.620 -18.884 439 3HD2 LEU 59 3HD2 LEU 59 8.008 9.131 -18.659 440 H LEU 60 H LEU 60 4.770 6.304 -15.310 441 HA LEU 60 HA LEU 60 5.352 3.564 -16.114 442 1HB LEU 60 1HB LEU 60 4.834 4.789 -13.405 443 2HB LEU 60 2HB LEU 60 5.250 3.105 -13.676 444 HG LEU 60 HG LEU 60 7.141 5.032 -14.862 445 1HD1 LEU 60 1HD1 LEU 60 6.845 4.824 -11.869 446 2HD1 LEU 60 2HD1 LEU 60 8.252 5.490 -12.699 447 3HD1 LEU 60 3HD1 LEU 60 6.682 6.277 -12.856 448 1HD2 LEU 60 1HD2 LEU 60 7.312 2.475 -14.641 449 2HD2 LEU 60 2HD2 LEU 60 8.737 3.446 -14.271 450 3HD2 LEU 60 3HD2 LEU 60 7.750 2.795 -12.963 451 H GLN 61 H GLN 61 3.938 1.854 -15.942 452 HA GLN 61 HA GLN 61 1.104 2.549 -15.494 453 1HB GLN 61 1HB GLN 61 0.519 0.792 -17.108 454 2HB GLN 61 2HB GLN 61 1.539 2.019 -17.845 455 1HG GLN 61 1HG GLN 61 2.482 0.102 -18.658 456 2HG GLN 61 2HG GLN 61 3.474 0.389 -17.229 457 1HE2 GLN 61 2HE2 GLN 61 4.029 -1.787 -17.089 458 2HE2 GLN 61 1HE2 GLN 61 2.913 -2.984 -16.534 459 HA PRO 62 HA PRO 62 0.880 -0.437 -12.244 460 1HB PRO 62 1HB PRO 62 -1.549 -1.626 -13.464 461 2HB PRO 62 2HB PRO 62 -1.326 -0.913 -11.864 462 1HG PRO 62 1HG PRO 62 -2.686 0.376 -13.767 463 2HG PRO 62 2HG PRO 62 -1.640 1.246 -12.629 464 1HD PRO 62 1HD PRO 62 -1.136 0.505 -15.484 465 2HD PRO 62 2HD PRO 62 -0.713 1.993 -14.614 466 H GLY 63 H GLY 63 2.242 -2.080 -12.130 467 1HA GLY 63 1HA GLY 63 2.695 -4.399 -12.329 468 2HA GLY 63 2HA GLY 63 1.784 -4.424 -13.828 469 H ASP 64 H ASP 64 3.855 -1.739 -13.886 470 HA ASP 64 HA ASP 64 5.473 -2.923 -15.901 471 1HB ASP 64 1HB ASP 64 4.784 -0.452 -15.630 472 2HB ASP 64 2HB ASP 64 6.121 -0.345 -14.489 473 H LYS 65 H LYS 65 7.558 -3.616 -15.839 474 HA LYS 65 HA LYS 65 8.629 -4.227 -13.199 475 1HB LYS 65 1HB LYS 65 8.421 -5.965 -15.004 476 2HB LYS 65 2HB LYS 65 9.661 -5.098 -15.899 477 1HG LYS 65 1HG LYS 65 11.221 -5.447 -14.023 478 2HG LYS 65 2HG LYS 65 9.976 -6.387 -13.197 479 1HD LYS 65 1HD LYS 65 10.004 -8.062 -14.883 480 2HD LYS 65 2HD LYS 65 10.990 -7.062 -15.952 481 1HE LYS 65 1HE LYS 65 12.734 -7.149 -14.054 482 2HE LYS 65 2HE LYS 65 11.789 -8.510 -13.452 483 1HZ LYS 65 1HZ LYS 65 12.082 -9.576 -15.635 484 2HZ LYS 65 2HZ LYS 65 13.086 -8.302 -16.115 485 3HZ LYS 65 3HZ LYS 65 13.552 -9.312 -14.841 486 H ILE 66 H ILE 66 10.192 -3.062 -12.292 487 HA ILE 66 HA ILE 66 11.573 -1.038 -13.869 488 HB ILE 66 HB ILE 66 11.902 -1.552 -10.910 489 1HG1 ILE 66 1HG1 ILE 66 10.007 0.450 -12.148 490 2HG1 ILE 66 2HG1 ILE 66 9.489 -1.150 -11.624 491 1HG2 ILE 66 1HG2 ILE 66 13.601 -0.150 -12.009 492 2HG2 ILE 66 2HG2 ILE 66 12.326 0.934 -12.565 493 3HG2 ILE 66 3HG2 ILE 66 12.641 0.756 -10.839 494 1HD1 ILE 66 1HD1 ILE 66 10.444 -0.531 -9.350 495 2HD1 ILE 66 2HD1 ILE 66 10.506 1.123 -9.959 496 3HD1 ILE 66 3HD1 ILE 66 8.961 0.279 -9.855 497 H ILE 67 H ILE 67 13.404 -1.559 -14.860 498 HA ILE 67 HA ILE 67 14.938 -3.857 -13.967 499 HB ILE 67 HB ILE 67 15.587 -2.100 -16.327 500 1HG1 ILE 67 1HG1 ILE 67 13.281 -2.839 -16.607 501 2HG1 ILE 67 2HG1 ILE 67 14.325 -3.729 -17.711 502 1HG2 ILE 67 1HG2 ILE 67 17.292 -3.708 -15.483 503 2HG2 ILE 67 2HG2 ILE 67 16.164 -5.015 -15.840 504 3HG2 ILE 67 3HG2 ILE 67 16.783 -4.004 -17.145 505 1HD1 ILE 67 1HD1 ILE 67 14.355 -5.526 -15.864 506 2HD1 ILE 67 2HD1 ILE 67 12.933 -4.683 -15.250 507 3HD1 ILE 67 3HD1 ILE 67 12.921 -5.360 -16.878 508 H GLN 68 H GLN 68 15.447 -0.358 -14.394 509 HA GLN 68 HA GLN 68 17.600 -0.478 -12.447 510 1HB GLN 68 1HB GLN 68 18.619 -0.921 -14.710 511 2HB GLN 68 2HB GLN 68 18.132 0.705 -15.169 512 1HG GLN 68 1HG GLN 68 19.501 1.613 -13.346 513 2HG GLN 68 2HG GLN 68 20.013 -0.023 -12.936 514 1HE2 GLN 68 2HE2 GLN 68 20.279 2.581 -15.211 515 2HE2 GLN 68 1HE2 GLN 68 21.643 1.962 -16.072 516 H ALA 69 H ALA 69 18.289 1.606 -11.683 517 HA ALA 69 HA ALA 69 16.652 3.895 -12.452 518 1HB ALA 69 1HB ALA 69 15.429 2.759 -10.632 519 2HB ALA 69 2HB ALA 69 16.841 2.953 -9.592 520 3HB ALA 69 3HB ALA 69 15.976 4.373 -10.179 521 H ASN 70 H ASN 70 17.869 5.661 -12.604 522 HA ASN 70 HA ASN 70 19.722 7.006 -12.601 523 1HB ASN 70 1HB ASN 70 19.314 6.332 -9.695 524 2HB ASN 70 2HB ASN 70 20.510 7.515 -10.220 525 1HD2 ASN 70 2HD2 ASN 70 19.493 9.241 -9.261 526 2HD2 ASN 70 1HD2 ASN 70 17.996 9.884 -9.832 527 H GLY 71 H GLY 71 20.415 4.261 -13.193 528 1HA GLY 71 1HA GLY 71 22.559 3.450 -13.774 529 2HA GLY 71 2HA GLY 71 23.249 4.408 -12.476 530 H TYR 72 H TYR 72 20.955 3.205 -10.720 531 HA TYR 72 HA TYR 72 22.545 0.922 -9.878 532 1HB TYR 72 1HB TYR 72 20.086 2.153 -8.617 533 2HB TYR 72 2HB TYR 72 21.112 0.922 -7.889 534 HD1 TYR 72 HD1 TYR 72 23.378 1.492 -7.118 535 HD2 TYR 72 HD2 TYR 72 20.752 4.462 -8.663 536 HE1 TYR 72 HE1 TYR 72 24.801 3.247 -6.147 537 HE2 TYR 72 HE2 TYR 72 22.168 6.224 -7.697 538 HH TYR 72 HH TYR 72 23.922 6.215 -5.563 539 H SER 73 H SER 73 22.065 -1.122 -10.310 540 HA SER 73 HA SER 73 19.835 -1.791 -11.958 541 1HB SER 73 1HB SER 73 22.120 -2.907 -11.977 542 2HB SER 73 2HB SER 73 21.628 -3.735 -10.499 543 HG SER 73 HG SER 73 20.976 -5.116 -12.005 544 H PHE 74 H PHE 74 17.841 -2.330 -11.358 545 HA PHE 74 HA PHE 74 17.345 -2.933 -8.528 546 1HB PHE 74 1HB PHE 74 15.762 -1.646 -10.692 547 2HB PHE 74 2HB PHE 74 14.874 -2.549 -9.470 548 HD1 PHE 74 HD1 PHE 74 17.839 -0.280 -9.360 549 HD2 PHE 74 HD2 PHE 74 13.919 -1.143 -7.942 550 HE1 PHE 74 HE1 PHE 74 17.966 1.652 -7.842 551 HE2 PHE 74 HE2 PHE 74 14.039 0.788 -6.424 552 HZ PHE 74 HZ PHE 74 16.064 2.189 -6.372 553 H ILE 75 H ILE 75 18.084 -4.854 -10.971 554 HA ILE 75 HA ILE 75 15.789 -6.639 -10.821 555 HB ILE 75 HB ILE 75 16.868 -6.284 -13.013 556 1HG1 ILE 75 1HG1 ILE 75 17.268 -8.784 -13.508 557 2HG1 ILE 75 2HG1 ILE 75 16.885 -9.041 -11.809 558 1HG2 ILE 75 1HG2 ILE 75 19.182 -6.007 -12.193 559 2HG2 ILE 75 2HG2 ILE 75 19.246 -7.739 -11.865 560 3HG2 ILE 75 3HG2 ILE 75 19.055 -7.162 -13.521 561 1HD1 ILE 75 1HD1 ILE 75 15.080 -7.714 -13.816 562 2HD1 ILE 75 2HD1 ILE 75 14.951 -9.384 -13.263 563 3HD1 ILE 75 3HD1 ILE 75 14.697 -8.057 -12.129 564 H ASN 76 H ASN 76 15.644 -8.193 -9.362 565 HA ASN 76 HA ASN 76 16.158 -9.751 -7.791 566 1HB ASN 76 1HB ASN 76 18.966 -9.831 -8.903 567 2HB ASN 76 2HB ASN 76 18.099 -11.111 -8.062 568 1HD2 ASN 76 2HD2 ASN 76 15.649 -10.907 -9.430 569 2HD2 ASN 76 1HD2 ASN 76 15.893 -11.443 -11.053 570 H ILE 77 H ILE 77 15.924 -7.874 -6.348 571 HA ILE 77 HA ILE 77 18.277 -7.633 -4.656 572 HB ILE 77 HB ILE 77 18.021 -5.167 -4.444 573 1HG1 ILE 77 1HG1 ILE 77 16.513 -5.215 -7.042 574 2HG1 ILE 77 2HG1 ILE 77 15.654 -5.285 -5.506 575 1HG2 ILE 77 1HG2 ILE 77 19.788 -6.143 -5.822 576 2HG2 ILE 77 2HG2 ILE 77 18.710 -6.124 -7.218 577 3HG2 ILE 77 3HG2 ILE 77 19.227 -4.607 -6.481 578 1HD1 ILE 77 1HD1 ILE 77 17.551 -3.104 -6.339 579 2HD1 ILE 77 2HD1 ILE 77 15.791 -3.013 -6.395 580 3HD1 ILE 77 3HD1 ILE 77 16.617 -3.166 -4.845 581 H GLU 78 H GLU 78 17.735 -6.554 -2.566 582 HA GLU 78 HA GLU 78 15.280 -7.614 -1.553 583 1HB GLU 78 1HB GLU 78 17.345 -5.829 -0.244 584 2HB GLU 78 2HB GLU 78 16.022 -6.628 0.598 585 1HG GLU 78 1HG GLU 78 16.928 -8.798 0.024 586 2HG GLU 78 2HG GLU 78 18.219 -8.036 -0.903 587 H HIS 79 H HIS 79 13.486 -6.530 -0.797 588 HA HIS 79 HA HIS 79 12.552 -4.340 -2.218 589 1HB HIS 79 1HB HIS 79 11.182 -5.984 -0.901 590 2HB HIS 79 2HB HIS 79 11.618 -5.090 0.553 591 HD1 HIS 79 HD1 HIS 79 9.029 -5.311 -1.879 592 HD2 HIS 79 HD2 HIS 79 10.809 -2.199 0.221 593 HE1 HIS 79 HE1 HIS 79 7.398 -3.403 -1.995 594 HE2 HIS 79 HE2 HIS 79 8.553 -1.494 -0.826 595 H GLY 80 H GLY 80 13.697 -4.322 1.179 596 1HA GLY 80 1HA GLY 80 13.467 -1.601 1.671 597 2HA GLY 80 2HA GLY 80 14.635 -2.655 2.448 598 H GLN 81 H GLN 81 15.888 -3.278 -0.188 599 HA GLN 81 HA GLN 81 17.834 -1.192 -0.181 600 1HB GLN 81 1HB GLN 81 18.036 -3.738 -0.819 601 2HB GLN 81 2HB GLN 81 17.597 -3.166 -2.422 602 1HG GLN 81 1HG GLN 81 19.875 -1.994 -0.859 603 2HG GLN 81 2HG GLN 81 20.062 -3.389 -1.921 604 1HE2 GLN 81 2HE2 GLN 81 18.881 -2.949 -4.135 605 2HE2 GLN 81 1HE2 GLN 81 19.330 -1.461 -4.887 606 H ALA 82 H ALA 82 15.170 -2.116 -2.294 607 HA ALA 82 HA ALA 82 15.703 -0.268 -4.364 608 1HB ALA 82 1HB ALA 82 13.143 -1.639 -3.555 609 2HB ALA 82 2HB ALA 82 13.347 -0.696 -5.032 610 3HB ALA 82 3HB ALA 82 14.295 -2.163 -4.784 611 H VAL 83 H VAL 83 13.361 -0.142 -1.675 612 HA VAL 83 HA VAL 83 12.328 2.396 -2.233 613 HB VAL 83 HB VAL 83 12.606 1.209 0.530 614 1HG1 VAL 83 1HG1 VAL 83 11.828 3.616 0.214 615 2HG1 VAL 83 2HG1 VAL 83 10.379 2.930 -0.519 616 3HG1 VAL 83 3HG1 VAL 83 10.783 2.552 1.155 617 1HG2 VAL 83 1HG2 VAL 83 10.666 0.587 -1.676 618 2HG2 VAL 83 2HG2 VAL 83 11.613 -0.526 -0.689 619 3HG2 VAL 83 3HG2 VAL 83 10.250 0.340 0.020 620 H SER 84 H SER 84 15.044 1.447 -0.154 621 HA SER 84 HA SER 84 15.601 3.964 0.929 622 1HB SER 84 1HB SER 84 17.396 1.595 0.381 623 2HB SER 84 2HB SER 84 17.925 3.025 1.267 624 HG SER 84 HG SER 84 17.211 1.628 2.794 625 H LEU 85 H LEU 85 16.737 2.453 -2.064 626 HA LEU 85 HA LEU 85 18.613 4.455 -2.742 627 1HB LEU 85 1HB LEU 85 17.161 2.356 -4.326 628 2HB LEU 85 2HB LEU 85 18.225 3.509 -5.111 629 HG LEU 85 HG LEU 85 19.025 1.542 -2.965 630 1HD1 LEU 85 1HD1 LEU 85 19.570 1.645 -5.926 631 2HD1 LEU 85 2HD1 LEU 85 20.385 0.563 -4.796 632 3HD1 LEU 85 3HD1 LEU 85 18.646 0.423 -5.053 633 1HD2 LEU 85 1HD2 LEU 85 20.568 3.680 -4.417 634 2HD2 LEU 85 2HD2 LEU 85 20.369 3.471 -2.677 635 3HD2 LEU 85 3HD2 LEU 85 21.341 2.323 -3.596 636 H LEU 86 H LEU 86 15.214 3.989 -3.641 637 HA LEU 86 HA LEU 86 15.067 6.169 -5.428 638 1HB LEU 86 1HB LEU 86 13.037 4.559 -3.922 639 2HB LEU 86 2HB LEU 86 12.542 5.968 -4.842 640 HG LEU 86 HG LEU 86 14.073 3.670 -6.050 641 1HD1 LEU 86 1HD1 LEU 86 11.854 2.982 -5.124 642 2HD1 LEU 86 2HD1 LEU 86 11.107 4.154 -6.210 643 3HD1 LEU 86 3HD1 LEU 86 12.015 2.794 -6.871 644 1HD2 LEU 86 1HD2 LEU 86 14.191 5.851 -7.208 645 2HD2 LEU 86 2HD2 LEU 86 13.364 4.613 -8.153 646 3HD2 LEU 86 3HD2 LEU 86 12.432 5.857 -7.320 647 H LYS 87 H LYS 87 14.321 5.881 -1.980 648 HA LYS 87 HA LYS 87 13.235 8.453 -1.661 649 1HB LYS 87 1HB LYS 87 14.559 6.612 0.329 650 2HB LYS 87 2HB LYS 87 13.717 8.093 0.769 651 1HG LYS 87 1HG LYS 87 12.300 6.046 -0.866 652 2HG LYS 87 2HG LYS 87 12.500 5.786 0.867 653 1HD LYS 87 1HD LYS 87 11.567 8.181 1.108 654 2HD LYS 87 2HD LYS 87 11.016 7.972 -0.556 655 1HE LYS 87 1HE LYS 87 9.914 5.829 0.227 656 2HE LYS 87 2HE LYS 87 10.251 6.367 1.872 657 1HZ LYS 87 1HZ LYS 87 8.954 8.364 1.440 658 2HZ LYS 87 2HZ LYS 87 8.627 7.838 -0.135 659 3HZ LYS 87 3HZ LYS 87 8.020 6.976 1.189 660 H THR 88 H THR 88 16.583 7.279 -1.223 661 HA THR 88 HA THR 88 17.560 9.722 -0.202 662 HB THR 88 HB THR 88 18.679 7.560 0.147 663 HG1 THR 88 HG1 THR 88 20.092 9.147 0.455 664 1HG2 THR 88 1HG2 THR 88 20.299 7.197 -2.038 665 2HG2 THR 88 2HG2 THR 88 18.931 6.186 -1.574 666 3HG2 THR 88 3HG2 THR 88 18.712 7.479 -2.753 667 H PHE 89 H PHE 89 17.022 8.620 -3.476 668 HA PHE 89 HA PHE 89 18.814 10.008 -5.000 669 1HB PHE 89 1HB PHE 89 15.883 9.521 -5.479 670 2HB PHE 89 2HB PHE 89 16.903 10.289 -6.682 671 HD1 PHE 89 HD1 PHE 89 19.287 8.195 -5.614 672 HD2 PHE 89 HD2 PHE 89 15.373 7.922 -7.293 673 HE1 PHE 89 HE1 PHE 89 19.834 5.989 -6.537 674 HE2 PHE 89 HE2 PHE 89 15.929 5.711 -8.208 675 HZ PHE 89 HZ PHE 89 18.158 4.743 -7.833 676 H GLN 90 H GLN 90 18.340 11.909 -6.465 677 HA GLN 90 HA GLN 90 17.975 14.228 -4.785 678 1HB GLN 90 1HB GLN 90 19.754 13.669 -6.682 679 2HB GLN 90 2HB GLN 90 18.547 14.429 -7.711 680 1HG GLN 90 1HG GLN 90 19.728 16.275 -7.187 681 2HG GLN 90 2HG GLN 90 18.653 16.267 -5.789 682 1HE2 GLN 90 2HE2 GLN 90 19.470 15.202 -3.837 683 2HE2 GLN 90 1HE2 GLN 90 21.158 15.299 -3.486 684 H ASN 91 H ASN 91 17.049 15.822 -7.352 685 HA ASN 91 HA ASN 91 14.248 15.606 -6.723 686 1HB ASN 91 1HB ASN 91 15.754 17.421 -8.618 687 2HB ASN 91 2HB ASN 91 14.028 17.541 -8.286 688 1HD2 ASN 91 2HD2 ASN 91 13.522 17.645 -5.869 689 2HD2 ASN 91 1HD2 ASN 91 14.505 18.719 -4.941 690 H THR 92 H THR 92 16.019 15.609 -9.842 691 HA THR 92 HA THR 92 13.779 14.258 -11.102 692 HB THR 92 HB THR 92 16.225 14.639 -12.710 693 HG1 THR 92 HG1 THR 92 14.938 16.828 -11.463 694 1HG2 THR 92 1HG2 THR 92 13.758 16.066 -13.385 695 2HG2 THR 92 2HG2 THR 92 14.809 15.060 -14.380 696 3HG2 THR 92 3HG2 THR 92 13.622 14.308 -13.314 697 H VAL 93 H VAL 93 13.661 12.134 -11.520 698 HA VAL 93 HA VAL 93 16.111 10.516 -11.226 699 HB VAL 93 HB VAL 93 13.349 9.603 -10.414 700 1HG1 VAL 93 1HG1 VAL 93 15.125 7.920 -11.077 701 2HG1 VAL 93 2HG1 VAL 93 16.006 8.435 -9.637 702 3HG1 VAL 93 3HG1 VAL 93 14.404 7.714 -9.480 703 1HG2 VAL 93 1HG2 VAL 93 14.136 11.479 -8.988 704 2HG2 VAL 93 2HG2 VAL 93 13.965 9.956 -8.112 705 3HG2 VAL 93 3HG2 VAL 93 15.564 10.525 -8.587 706 H GLU 94 H GLU 94 16.614 9.453 -13.017 707 HA GLU 94 HA GLU 94 14.573 9.044 -15.074 708 1HB GLU 94 1HB GLU 94 17.572 9.053 -15.061 709 2HB GLU 94 2HB GLU 94 16.708 8.247 -16.363 710 1HG GLU 94 1HG GLU 94 15.504 10.369 -16.805 711 2HG GLU 94 2HG GLU 94 16.523 11.148 -15.596 712 H LEU 95 H LEU 95 13.436 7.199 -14.752 713 HA LEU 95 HA LEU 95 14.854 4.818 -13.813 714 1HB LEU 95 1HB LEU 95 11.893 5.287 -14.160 715 2HB LEU 95 2HB LEU 95 12.634 3.884 -13.412 716 HG LEU 95 HG LEU 95 13.140 6.613 -12.293 717 1HD1 LEU 95 1HD1 LEU 95 10.685 6.340 -12.550 718 2HD1 LEU 95 2HD1 LEU 95 10.788 4.879 -11.567 719 3HD1 LEU 95 3HD1 LEU 95 11.218 6.442 -10.871 720 1HD2 LEU 95 1HD2 LEU 95 13.024 3.847 -11.101 721 2HD2 LEU 95 2HD2 LEU 95 14.484 4.764 -11.476 722 3HD2 LEU 95 3HD2 LEU 95 13.386 5.330 -10.217 723 H ILE 96 H ILE 96 14.615 2.806 -14.840 724 HA ILE 96 HA ILE 96 14.023 2.981 -17.722 725 HB ILE 96 HB ILE 96 15.825 0.997 -16.310 726 1HG1 ILE 96 1HG1 ILE 96 16.600 3.330 -18.069 727 2HG1 ILE 96 2HG1 ILE 96 16.672 3.353 -16.309 728 1HG2 ILE 96 1HG2 ILE 96 15.243 1.476 -19.225 729 2HG2 ILE 96 2HG2 ILE 96 16.609 0.524 -18.644 730 3HG2 ILE 96 3HG2 ILE 96 14.960 0.004 -18.294 731 1HD1 ILE 96 1HD1 ILE 96 18.061 1.075 -17.431 732 2HD1 ILE 96 2HD1 ILE 96 18.691 2.612 -18.024 733 3HD1 ILE 96 3HD1 ILE 96 18.621 2.298 -16.291 734 H ILE 97 H ILE 97 12.330 1.840 -18.452 735 HA ILE 97 HA ILE 97 11.325 -0.393 -16.803 736 HB ILE 97 HB ILE 97 9.022 0.261 -17.438 737 1HG1 ILE 97 1HG1 ILE 97 10.280 2.841 -18.397 738 2HG1 ILE 97 2HG1 ILE 97 9.702 1.571 -19.472 739 1HG2 ILE 97 1HG2 ILE 97 10.748 2.127 -15.852 740 2HG2 ILE 97 2HG2 ILE 97 9.013 2.403 -16.008 741 3HG2 ILE 97 3HG2 ILE 97 9.607 0.910 -15.281 742 1HD1 ILE 97 1HD1 ILE 97 7.970 2.996 -17.469 743 2HD1 ILE 97 2HD1 ILE 97 8.120 3.460 -19.164 744 3HD1 ILE 97 3HD1 ILE 97 7.453 1.885 -18.736 745 H VAL 98 H VAL 98 9.752 -1.791 -18.056 746 HA VAL 98 HA VAL 98 10.296 -1.913 -20.923 747 HB VAL 98 HB VAL 98 10.731 -4.327 -19.160 748 1HG1 VAL 98 1HG1 VAL 98 10.001 -4.816 -21.443 749 2HG1 VAL 98 2HG1 VAL 98 11.343 -3.860 -22.074 750 3HG1 VAL 98 3HG1 VAL 98 11.663 -5.337 -21.165 751 1HG2 VAL 98 1HG2 VAL 98 12.475 -2.629 -18.763 752 2HG2 VAL 98 2HG2 VAL 98 13.107 -4.078 -19.542 753 3HG2 VAL 98 3HG2 VAL 98 12.830 -2.619 -20.491 754 H ARG 99 H ARG 99 8.782 -3.167 -22.105 755 HA ARG 99 HA ARG 99 6.338 -3.851 -20.599 756 1HB ARG 99 1HB ARG 99 6.550 -1.953 -22.547 757 2HB ARG 99 2HB ARG 99 6.091 -3.357 -23.504 758 1HG ARG 99 1HG ARG 99 4.021 -2.590 -23.004 759 2HG ARG 99 2HG ARG 99 4.279 -3.593 -21.575 760 1HD ARG 99 1HD ARG 99 4.891 -1.701 -20.263 761 2HD ARG 99 2HD ARG 99 4.955 -0.661 -21.684 762 HE ARG 99 HE ARG 99 2.605 -1.465 -20.211 763 1HH1 ARG 99 1HH1 ARG 99 3.801 -0.164 -23.247 764 2HH1 ARG 99 2HH1 ARG 99 2.286 0.571 -23.659 765 1HH2 ARG 99 1HH2 ARG 99 0.632 -0.494 -20.776 766 2HH2 ARG 99 2HH2 ARG 99 0.497 0.384 -22.262 767 H GLU 100 H GLU 100 6.240 -5.991 -20.376 768 HA GLU 100 HA GLU 100 7.623 -7.878 -21.891 769 1HB GLU 100 1HB GLU 100 5.145 -8.172 -20.193 770 2HB GLU 100 2HB GLU 100 6.034 -9.533 -20.866 771 1HG GLU 100 1HG GLU 100 8.068 -8.418 -19.671 772 2HG GLU 100 2HG GLU 100 6.816 -7.638 -18.706 773 H VAL 101 H VAL 101 7.329 -8.699 -23.841 774 HA VAL 101 HA VAL 101 4.762 -8.252 -25.199 775 HB VAL 101 HB VAL 101 7.370 -9.107 -26.465 776 1HG1 VAL 101 1HG1 VAL 101 4.831 -7.972 -27.633 777 2HG1 VAL 101 2HG1 VAL 101 6.308 -8.309 -28.535 778 3HG1 VAL 101 3HG1 VAL 101 5.409 -9.631 -27.791 779 1HG2 VAL 101 1HG2 VAL 101 7.624 -6.916 -25.380 780 2HG2 VAL 101 2HG2 VAL 101 7.689 -6.794 -27.138 781 3HG2 VAL 101 3HG2 VAL 101 6.225 -6.321 -26.275 782 H SER 102 H SER 102 3.810 -9.973 -26.437 783 HA SER 102 HA SER 102 4.814 -12.655 -26.176 784 1HB SER 102 1HB SER 102 2.318 -11.839 -24.672 785 2HB SER 102 2HB SER 102 2.800 -13.510 -24.966 786 HG SER 102 HG SER 102 3.748 -13.170 -23.088 787 H SER 103 H SER 103 2.987 -14.242 -26.956 788 HA SER 103 HA SER 103 2.098 -13.198 -29.513 789 1HB SER 103 1HB SER 103 3.226 -15.415 -29.336 790 2HB SER 103 2HB SER 103 1.850 -16.004 -28.404 791 HG SER 103 HG SER 103 0.568 -15.837 -30.175 792 1H THR 301 1H THR 301 0.638 -7.658 5.552 793 2H THR 301 2H THR 301 0.525 -7.353 7.237 794 3H THR 301 3H THR 301 1.649 -8.507 6.645 795 HA THR 301 HA THR 301 1.689 -5.586 6.380 796 HB THR 301 HB THR 301 2.603 -6.600 8.431 797 HG1 THR 301 HG1 THR 301 3.642 -4.765 7.524 798 1HG2 THR 301 1HG2 THR 301 4.759 -7.884 8.219 799 2HG2 THR 301 2HG2 THR 301 3.287 -8.770 7.822 800 3HG2 THR 301 3HG2 THR 301 4.326 -8.161 6.532 801 H GLY 302 H GLY 302 2.593 -8.605 4.875 802 1HA GLY 302 1HA GLY 302 4.696 -7.566 3.255 803 2HA GLY 302 2HA GLY 302 3.862 -9.092 3.018 804 H TRP 303 H TRP 303 4.116 -5.788 2.031 805 HA TRP 303 HA TRP 303 2.620 -6.330 -0.348 806 1HB TRP 303 1HB TRP 303 1.080 -5.598 1.753 807 2HB TRP 303 2HB TRP 303 1.447 -4.023 1.064 808 HD1 TRP 303 HD1 TRP 303 -1.486 -5.233 1.070 809 HE1 TRP 303 HE1 TRP 303 -2.740 -5.545 -1.145 810 HE3 TRP 303 HE3 TRP 303 2.514 -5.420 -2.140 811 HZ2 TRP 303 HZ2 TRP 303 -2.139 -5.827 -3.873 812 HZ3 TRP 303 HZ3 TRP 303 2.069 -5.713 -4.538 813 HH2 TRP 303 HH2 TRP 303 -0.207 -5.910 -5.386 814 H GLU 304 H GLU 304 2.055 -3.571 -1.013 815 HA GLU 304 HA GLU 304 4.587 -2.835 -2.011 816 1HB GLU 304 1HB GLU 304 3.467 -1.135 -3.201 817 2HB GLU 304 2HB GLU 304 2.324 -2.462 -3.093 818 1HG GLU 304 1HG GLU 304 2.295 0.066 -1.448 819 2HG GLU 304 2HG GLU 304 1.212 -0.340 -2.773 820 H THR 305 H THR 305 5.059 -0.322 -1.983 821 HA THR 305 HA THR 305 4.896 0.891 0.634 822 HB THR 305 HB THR 305 7.614 0.247 -0.525 823 HG1 THR 305 HG1 THR 305 6.730 -1.654 0.246 824 1HG2 THR 305 1HG2 THR 305 8.397 0.843 1.755 825 2HG2 THR 305 2HG2 THR 305 7.735 2.195 0.836 826 3HG2 THR 305 3HG2 THR 305 6.772 1.435 2.102 827 H TRP 306 H TRP 306 4.018 2.723 -0.204 828 HA TRP 306 HA TRP 306 4.673 3.880 -2.663 829 1HB TRP 306 1HB TRP 306 3.381 4.996 -0.183 830 2HB TRP 306 2HB TRP 306 3.593 5.958 -1.644 831 HD1 TRP 306 HD1 TRP 306 1.641 2.945 -0.302 832 HE1 TRP 306 HE1 TRP 306 -0.325 2.468 -1.892 833 HE3 TRP 306 HE3 TRP 306 2.806 6.227 -4.047 834 HZ2 TRP 306 HZ2 TRP 306 -1.255 3.358 -4.400 835 HZ3 TRP 306 HZ3 TRP 306 1.327 6.348 -6.011 836 HH2 TRP 306 HH2 TRP 306 -0.662 4.939 -6.182 837 H VAL 307 H VAL 307 6.372 4.953 -3.335 838 HA VAL 307 HA VAL 307 8.315 5.948 -1.384 839 HB VAL 307 HB VAL 307 9.817 6.172 -3.383 840 1HG1 VAL 307 1HG1 VAL 307 8.658 3.478 -2.709 841 2HG1 VAL 307 2HG1 VAL 307 10.117 3.700 -3.676 842 3HG1 VAL 307 3HG1 VAL 307 10.076 4.253 -2.002 843 1HG2 VAL 307 1HG2 VAL 307 7.900 6.316 -5.014 844 2HG2 VAL 307 2HG2 VAL 307 9.219 5.242 -5.478 845 3HG2 VAL 307 3HG2 VAL 307 7.722 4.571 -4.831 Start of MODEL 8 1 1H GLY 1 1H GLY 1 21.116 -16.436 -44.557 2 2H GLY 1 2H GLY 1 20.574 -15.463 -43.286 3 3H GLY 1 3H GLY 1 21.906 -14.981 -44.209 4 1HA GLY 1 1HA GLY 1 20.588 -14.582 -46.115 5 2HA GLY 1 2HA GLY 1 19.202 -15.351 -45.359 6 H SER 2 H SER 2 17.914 -14.196 -43.979 7 HA SER 2 HA SER 2 18.203 -11.318 -44.107 8 1HB SER 2 1HB SER 2 16.041 -13.233 -43.412 9 2HB SER 2 2HB SER 2 15.974 -11.653 -42.633 10 HG SER 2 HG SER 2 16.064 -10.715 -44.723 11 H HIS 3 H HIS 3 17.230 -10.306 -41.845 12 HA HIS 3 HA HIS 3 19.374 -10.323 -40.061 13 1HB HIS 3 1HB HIS 3 17.183 -8.757 -40.406 14 2HB HIS 3 2HB HIS 3 16.742 -9.597 -38.924 15 HD1 HIS 3 HD1 HIS 3 19.823 -9.684 -37.926 16 HD2 HIS 3 HD2 HIS 3 17.619 -6.348 -39.061 17 HE1 HIS 3 HE1 HIS 3 20.928 -7.728 -36.793 18 HE2 HIS 3 HE2 HIS 3 19.531 -5.732 -37.433 19 H MET 4 H MET 4 20.042 -12.048 -38.967 20 HA MET 4 HA MET 4 18.238 -14.092 -38.049 21 1HB MET 4 1HB MET 4 20.697 -14.314 -38.879 22 2HB MET 4 2HB MET 4 21.112 -13.903 -37.220 23 1HG MET 4 1HG MET 4 21.113 -16.213 -37.212 24 2HG MET 4 2HG MET 4 19.523 -15.809 -36.566 25 1HE MET 4 1HE MET 4 17.636 -16.430 -37.152 26 2HE MET 4 2HE MET 4 17.061 -16.220 -38.807 27 3HE MET 4 3HE MET 4 17.330 -17.841 -38.166 28 H GLY 5 H GLY 5 19.639 -11.228 -36.655 29 1HA GLY 5 1HA GLY 5 19.756 -11.880 -33.956 30 2HA GLY 5 2HA GLY 5 19.415 -10.275 -34.579 31 H HIS 6 H HIS 6 18.172 -10.295 -32.485 32 HA HIS 6 HA HIS 6 15.746 -11.809 -32.359 33 1HB HIS 6 1HB HIS 6 16.963 -9.607 -30.732 34 2HB HIS 6 2HB HIS 6 15.274 -10.038 -30.489 35 HD1 HIS 6 HD1 HIS 6 18.313 -10.657 -28.961 36 HD2 HIS 6 HD2 HIS 6 15.274 -13.170 -30.271 37 HE1 HIS 6 HE1 HIS 6 18.599 -12.792 -27.664 38 HE2 HIS 6 HE2 HIS 6 16.691 -14.261 -28.403 39 H GLU 7 H GLU 7 13.617 -10.712 -32.062 40 HA GLU 7 HA GLU 7 13.298 -8.421 -33.887 41 1HB GLU 7 1HB GLU 7 11.357 -10.731 -33.640 42 2HB GLU 7 2HB GLU 7 11.299 -9.413 -34.804 43 1HG GLU 7 1HG GLU 7 13.498 -10.247 -35.694 44 2HG GLU 7 2HG GLU 7 13.278 -11.669 -34.676 45 H LEU 8 H LEU 8 10.432 -8.232 -33.443 46 HA LEU 8 HA LEU 8 10.362 -6.571 -31.210 47 1HB LEU 8 1HB LEU 8 8.643 -7.218 -33.268 48 2HB LEU 8 2HB LEU 8 7.774 -7.787 -31.854 49 HG LEU 8 HG LEU 8 7.116 -5.511 -32.392 50 1HD1 LEU 8 1HD1 LEU 8 7.199 -6.210 -30.030 51 2HD1 LEU 8 2HD1 LEU 8 8.837 -5.566 -29.917 52 3HD1 LEU 8 3HD1 LEU 8 7.484 -4.481 -30.236 53 1HD2 LEU 8 1HD2 LEU 8 9.279 -4.913 -33.500 54 2HD2 LEU 8 2HD2 LEU 8 8.641 -3.678 -32.414 55 3HD2 LEU 8 3HD2 LEU 8 9.975 -4.707 -31.893 56 H ALA 9 H ALA 9 10.742 -7.148 -29.184 57 HA ALA 9 HA ALA 9 9.121 -9.200 -27.934 58 1HB ALA 9 1HB ALA 9 11.049 -10.438 -28.828 59 2HB ALA 9 2HB ALA 9 12.136 -9.393 -27.914 60 3HB ALA 9 3HB ALA 9 11.017 -10.459 -27.064 61 H LYS 10 H LYS 10 11.192 -9.120 -25.572 62 HA LYS 10 HA LYS 10 10.004 -7.334 -23.902 63 1HB LYS 10 1HB LYS 10 12.834 -8.331 -24.015 64 2HB LYS 10 2HB LYS 10 12.318 -7.232 -22.742 65 1HG LYS 10 1HG LYS 10 11.994 -9.260 -21.732 66 2HG LYS 10 2HG LYS 10 10.395 -8.969 -22.420 67 1HD LYS 10 1HD LYS 10 10.747 -10.489 -24.168 68 2HD LYS 10 2HD LYS 10 12.494 -10.499 -23.926 69 1HE LYS 10 1HE LYS 10 11.833 -12.530 -23.017 70 2HE LYS 10 2HE LYS 10 11.936 -11.480 -21.604 71 1HZ LYS 10 1HZ LYS 10 9.532 -11.146 -21.748 72 2HZ LYS 10 2HZ LYS 10 9.454 -12.201 -23.068 73 3HZ LYS 10 3HZ LYS 10 9.919 -12.780 -21.549 74 H GLN 11 H GLN 11 9.550 -5.268 -24.281 75 HA GLN 11 HA GLN 11 11.343 -3.559 -25.762 76 1HB GLN 11 1HB GLN 11 8.563 -3.731 -25.295 77 2HB GLN 11 2HB GLN 11 9.062 -2.172 -24.655 78 1HG GLN 11 1HG GLN 11 9.394 -1.318 -26.676 79 2HG GLN 11 2HG GLN 11 10.224 -2.760 -27.254 80 1HE2 GLN 11 2HE2 GLN 11 8.335 -4.683 -27.053 81 2HE2 GLN 11 1HE2 GLN 11 6.997 -4.326 -28.087 82 H GLU 12 H GLU 12 12.855 -2.328 -24.916 83 HA GLU 12 HA GLU 12 12.790 -1.677 -22.056 84 1HB GLU 12 1HB GLU 12 14.805 -2.689 -23.633 85 2HB GLU 12 2HB GLU 12 15.218 -0.981 -23.564 86 1HG GLU 12 1HG GLU 12 16.269 -1.523 -21.676 87 2HG GLU 12 2HG GLU 12 14.660 -1.499 -20.958 88 H ILE 13 H ILE 13 12.526 0.380 -21.343 89 HA ILE 13 HA ILE 13 13.063 2.632 -23.099 90 HB ILE 13 HB ILE 13 10.851 3.665 -22.725 91 1HG1 ILE 13 1HG1 ILE 13 10.269 2.268 -20.711 92 2HG1 ILE 13 2HG1 ILE 13 8.977 2.414 -21.895 93 1HG2 ILE 13 1HG2 ILE 13 11.383 2.534 -24.822 94 2HG2 ILE 13 2HG2 ILE 13 10.757 1.020 -24.168 95 3HG2 ILE 13 3HG2 ILE 13 9.671 2.384 -24.426 96 1HD1 ILE 13 1HD1 ILE 13 10.406 0.096 -22.579 97 2HD1 ILE 13 2HD1 ILE 13 10.204 0.063 -20.827 98 3HD1 ILE 13 3HD1 ILE 13 8.793 0.210 -21.876 99 H ARG 14 H ARG 14 12.807 4.746 -21.956 100 HA ARG 14 HA ARG 14 13.365 4.443 -19.074 101 1HB ARG 14 1HB ARG 14 14.392 6.584 -20.942 102 2HB ARG 14 2HB ARG 14 14.813 6.389 -19.248 103 1HG ARG 14 1HG ARG 14 15.682 4.075 -19.937 104 2HG ARG 14 2HG ARG 14 15.607 4.701 -21.586 105 1HD ARG 14 1HD ARG 14 16.954 6.690 -20.676 106 2HD ARG 14 2HD ARG 14 17.279 5.659 -19.284 107 HE ARG 14 HE ARG 14 17.878 4.433 -21.822 108 1HH1 ARG 14 1HH1 ARG 14 19.154 6.435 -19.231 109 2HH1 ARG 14 2HH1 ARG 14 20.803 6.052 -19.595 110 1HH2 ARG 14 1HH2 ARG 14 20.049 3.949 -22.278 111 2HH2 ARG 14 2HH2 ARG 14 21.308 4.649 -21.317 112 H VAL 15 H VAL 15 12.909 6.412 -17.763 113 HA VAL 15 HA VAL 15 10.819 8.164 -18.800 114 HB VAL 15 HB VAL 15 9.422 7.775 -16.746 115 1HG1 VAL 15 1HG1 VAL 15 8.861 6.858 -18.974 116 2HG1 VAL 15 2HG1 VAL 15 9.720 5.376 -18.549 117 3HG1 VAL 15 3HG1 VAL 15 8.281 5.852 -17.646 118 1HG2 VAL 15 1HG2 VAL 15 11.190 6.665 -15.423 119 2HG2 VAL 15 2HG2 VAL 15 9.701 5.724 -15.501 120 3HG2 VAL 15 3HG2 VAL 15 11.085 5.271 -16.497 121 H ARG 16 H ARG 16 10.340 9.977 -17.307 122 HA ARG 16 HA ARG 16 12.526 10.509 -15.402 123 1HB ARG 16 1HB ARG 16 12.736 11.668 -17.702 124 2HB ARG 16 2HB ARG 16 11.399 12.674 -17.160 125 1HG ARG 16 1HG ARG 16 12.828 13.988 -16.097 126 2HG ARG 16 2HG ARG 16 13.295 12.637 -15.067 127 1HD ARG 16 1HD ARG 16 15.329 12.689 -15.968 128 2HD ARG 16 2HD ARG 16 14.631 12.292 -17.539 129 HE ARG 16 HE ARG 16 14.281 15.010 -17.210 130 1HH1 ARG 16 1HH1 ARG 16 17.024 12.819 -17.368 131 2HH1 ARG 16 2HH1 ARG 16 18.088 14.018 -18.028 132 1HH2 ARG 16 1HH2 ARG 16 15.696 16.561 -18.075 133 2HH2 ARG 16 2HH2 ARG 16 17.337 16.131 -18.426 134 H VAL 17 H VAL 17 11.764 10.951 -13.441 135 HA VAL 17 HA VAL 17 9.162 12.325 -13.202 136 HB VAL 17 HB VAL 17 10.180 10.260 -11.245 137 1HG1 VAL 17 1HG1 VAL 17 8.623 11.965 -10.369 138 2HG1 VAL 17 2HG1 VAL 17 7.441 11.473 -11.582 139 3HG1 VAL 17 3HG1 VAL 17 7.946 10.337 -10.332 140 1HG2 VAL 17 1HG2 VAL 17 9.711 9.219 -13.430 141 2HG2 VAL 17 2HG2 VAL 17 8.577 8.700 -12.183 142 3HG2 VAL 17 3HG2 VAL 17 8.082 9.894 -13.384 143 H GLU 18 H GLU 18 9.090 14.043 -11.831 144 HA GLU 18 HA GLU 18 11.582 14.719 -10.413 145 1HB GLU 18 1HB GLU 18 9.346 16.589 -11.192 146 2HB GLU 18 2HB GLU 18 10.940 17.030 -10.589 147 1HG GLU 18 1HG GLU 18 11.379 17.346 -12.765 148 2HG GLU 18 2HG GLU 18 11.644 15.603 -12.751 149 H LYS 19 H LYS 19 11.604 14.800 -8.256 150 HA LYS 19 HA LYS 19 9.315 14.080 -6.739 151 1HB LYS 19 1HB LYS 19 12.010 13.950 -6.341 152 2HB LYS 19 2HB LYS 19 11.590 15.307 -5.305 153 1HG LYS 19 1HG LYS 19 11.409 13.522 -3.865 154 2HG LYS 19 2HG LYS 19 9.743 13.727 -4.408 155 1HD LYS 19 1HD LYS 19 10.155 11.412 -4.534 156 2HD LYS 19 2HD LYS 19 10.274 11.996 -6.195 157 1HE LYS 19 1HE LYS 19 12.110 10.559 -5.927 158 2HE LYS 19 2HE LYS 19 12.781 12.183 -5.777 159 1HZ LYS 19 1HZ LYS 19 12.715 11.936 -3.367 160 2HZ LYS 19 2HZ LYS 19 12.095 10.370 -3.525 161 3HZ LYS 19 3HZ LYS 19 13.655 10.721 -4.076 162 H ASP 20 H ASP 20 7.663 15.418 -6.347 163 HA ASP 20 HA ASP 20 7.992 17.844 -4.948 164 1HB ASP 20 1HB ASP 20 8.621 18.344 -7.471 165 2HB ASP 20 2HB ASP 20 6.871 18.408 -7.663 166 HA PRO 21 HA PRO 21 7.333 17.246 -3.143 167 1HB PRO 21 1HB PRO 21 5.644 15.741 -1.387 168 2HB PRO 21 2HB PRO 21 5.970 17.473 -1.353 169 1HG PRO 21 1HG PRO 21 3.522 16.328 -1.953 170 2HG PRO 21 2HG PRO 21 4.011 17.974 -2.388 171 1HD PRO 21 1HD PRO 21 4.001 15.492 -4.062 172 2HD PRO 21 2HD PRO 21 3.573 17.158 -4.509 173 H GLU 22 H GLU 22 5.664 14.437 -4.412 174 HA GLU 22 HA GLU 22 8.043 12.822 -3.826 175 1HB GLU 22 1HB GLU 22 5.177 12.044 -3.278 176 2HB GLU 22 2HB GLU 22 6.492 10.877 -3.354 177 1HG GLU 22 1HG GLU 22 6.672 13.231 -1.527 178 2HG GLU 22 2HG GLU 22 5.738 11.809 -1.065 179 H LEU 23 H LEU 23 7.578 10.526 -5.005 180 HA LEU 23 HA LEU 23 7.648 11.111 -7.767 181 1HB LEU 23 1HB LEU 23 7.428 8.502 -6.273 182 2HB LEU 23 2HB LEU 23 7.585 8.601 -8.019 183 HG LEU 23 HG LEU 23 9.688 10.167 -7.149 184 1HD1 LEU 23 1HD1 LEU 23 9.155 9.296 -4.822 185 2HD1 LEU 23 2HD1 LEU 23 9.731 7.730 -5.396 186 3HD1 LEU 23 3HD1 LEU 23 10.818 9.118 -5.381 187 1HD2 LEU 23 1HD2 LEU 23 9.776 8.526 -8.956 188 2HD2 LEU 23 2HD2 LEU 23 11.121 8.310 -7.836 189 3HD2 LEU 23 3HD2 LEU 23 9.739 7.215 -7.777 190 H GLY 24 H GLY 24 5.224 9.317 -5.841 191 1HA GLY 24 1HA GLY 24 2.870 9.817 -6.143 192 2HA GLY 24 2HA GLY 24 3.206 10.135 -7.837 193 H PHE 25 H PHE 25 4.442 7.341 -6.069 194 HA PHE 25 HA PHE 25 2.374 5.569 -6.889 195 1HB PHE 25 1HB PHE 25 3.590 4.271 -8.560 196 2HB PHE 25 2HB PHE 25 3.417 5.938 -9.093 197 HD1 PHE 25 HD1 PHE 25 5.785 3.488 -7.672 198 HD2 PHE 25 HD2 PHE 25 5.304 7.272 -9.558 199 HE1 PHE 25 HE1 PHE 25 8.215 3.612 -8.034 200 HE2 PHE 25 HE2 PHE 25 7.733 7.401 -9.927 201 HZ PHE 25 HZ PHE 25 9.192 5.570 -9.164 202 H SER 26 H SER 26 3.339 3.167 -6.775 203 HA SER 26 HA SER 26 5.205 3.045 -4.498 204 1HB SER 26 1HB SER 26 3.705 1.041 -3.758 205 2HB SER 26 2HB SER 26 3.184 2.686 -3.390 206 HG SER 26 HG SER 26 1.690 1.034 -4.497 207 H ILE 27 H ILE 27 6.152 0.879 -4.176 208 HA ILE 27 HA ILE 27 6.320 -0.670 -6.679 209 HB ILE 27 HB ILE 27 8.714 -1.053 -6.248 210 1HG1 ILE 27 1HG1 ILE 27 8.543 1.121 -4.158 211 2HG1 ILE 27 2HG1 ILE 27 8.516 -0.591 -3.747 212 1HG2 ILE 27 1HG2 ILE 27 7.922 1.851 -6.426 213 2HG2 ILE 27 2HG2 ILE 27 9.502 1.199 -6.861 214 3HG2 ILE 27 3HG2 ILE 27 8.068 0.717 -7.768 215 1HD1 ILE 27 1HD1 ILE 27 10.719 -0.118 -5.478 216 2HD1 ILE 27 2HD1 ILE 27 10.748 1.078 -4.182 217 3HD1 ILE 27 3HD1 ILE 27 10.723 -0.642 -3.795 218 H SER 28 H SER 28 6.883 -2.915 -6.420 219 HA SER 28 HA SER 28 6.735 -4.005 -3.715 220 1HB SER 28 1HB SER 28 4.396 -3.921 -4.477 221 2HB SER 28 2HB SER 28 4.832 -4.835 -5.921 222 HG SER 28 HG SER 28 4.710 -5.685 -3.244 223 H GLY 29 H GLY 29 7.108 -6.415 -3.731 224 1HA GLY 29 1HA GLY 29 8.000 -8.348 -4.807 225 2HA GLY 29 2HA GLY 29 8.661 -7.309 -6.058 226 H GLY 30 H GLY 30 10.745 -8.107 -5.902 227 1HA GLY 30 1HA GLY 30 12.903 -7.413 -5.090 228 2HA GLY 30 2HA GLY 30 12.199 -7.238 -3.490 229 H VAL 31 H VAL 31 14.568 -8.716 -4.246 230 HA VAL 31 HA VAL 31 13.896 -11.517 -4.165 231 HB VAL 31 HB VAL 31 16.600 -10.225 -3.754 232 1HG1 VAL 31 1HG1 VAL 31 15.821 -13.028 -4.549 233 2HG1 VAL 31 2HG1 VAL 31 17.469 -12.400 -4.518 234 3HG1 VAL 31 3HG1 VAL 31 16.548 -12.533 -3.020 235 1HG2 VAL 31 1HG2 VAL 31 15.088 -10.930 -6.236 236 2HG2 VAL 31 2HG2 VAL 31 16.003 -9.470 -5.862 237 3HG2 VAL 31 3HG2 VAL 31 16.850 -10.974 -6.219 238 H GLY 32 H GLY 32 13.062 -12.317 -2.344 239 1HA GLY 32 1HA GLY 32 13.285 -13.175 -0.172 240 2HA GLY 32 2HA GLY 32 14.578 -12.028 0.126 241 H GLY 33 H GLY 33 12.122 -10.204 -1.194 242 1HA GLY 33 1HA GLY 33 11.408 -9.170 1.411 243 2HA GLY 33 2HA GLY 33 10.948 -8.498 -0.146 244 H ARG 34 H ARG 34 8.810 -8.202 0.465 245 HA ARG 34 HA ARG 34 7.231 -10.405 1.432 246 1HB ARG 34 1HB ARG 34 6.637 -7.550 0.710 247 2HB ARG 34 2HB ARG 34 5.341 -8.687 1.065 248 1HG ARG 34 1HG ARG 34 6.601 -9.155 3.243 249 2HG ARG 34 2HG ARG 34 7.500 -7.680 2.882 250 1HD ARG 34 1HD ARG 34 5.594 -6.339 3.048 251 2HD ARG 34 2HD ARG 34 4.502 -7.713 2.874 252 HE ARG 34 HE ARG 34 4.700 -8.131 5.128 253 1HH1 ARG 34 1HH1 ARG 34 7.128 -5.765 4.208 254 2HH1 ARG 34 2HH1 ARG 34 7.547 -5.390 5.846 255 1HH2 ARG 34 1HH2 ARG 34 5.269 -7.624 7.265 256 2HH2 ARG 34 2HH2 ARG 34 6.498 -6.442 7.573 257 H GLY 35 H GLY 35 8.068 -9.218 -1.714 258 1HA GLY 35 1HA GLY 35 7.586 -10.280 -3.730 259 2HA GLY 35 2HA GLY 35 6.358 -11.235 -2.914 260 H ASN 36 H ASN 36 5.459 -10.538 -5.181 261 HA ASN 36 HA ASN 36 3.674 -8.265 -4.669 262 1HB ASN 36 1HB ASN 36 3.890 -7.578 -7.053 263 2HB ASN 36 2HB ASN 36 5.386 -7.387 -6.142 264 1HD2 ASN 36 2HD2 ASN 36 6.950 -9.179 -6.323 265 2HD2 ASN 36 1HD2 ASN 36 7.101 -9.975 -7.849 266 HA PRO 37 HA PRO 37 0.669 -11.135 -6.253 267 1HB PRO 37 1HB PRO 37 -1.427 -9.577 -6.731 268 2HB PRO 37 2HB PRO 37 -0.777 -9.746 -5.095 269 1HG PRO 37 1HG PRO 37 -0.445 -7.511 -7.046 270 2HG PRO 37 2HG PRO 37 -0.661 -7.445 -5.288 271 1HD PRO 37 1HD PRO 37 1.777 -7.259 -6.643 272 2HD PRO 37 2HD PRO 37 1.576 -7.611 -4.916 273 H PHE 38 H PHE 38 2.462 -9.590 -8.382 274 HA PHE 38 HA PHE 38 0.664 -9.940 -10.680 275 1HB PHE 38 1HB PHE 38 3.317 -8.524 -10.393 276 2HB PHE 38 2HB PHE 38 2.526 -8.782 -11.945 277 HD1 PHE 38 HD1 PHE 38 2.351 -7.013 -8.738 278 HD2 PHE 38 HD2 PHE 38 0.596 -7.514 -12.583 279 HE1 PHE 38 HE1 PHE 38 1.038 -4.960 -8.402 280 HE2 PHE 38 HE2 PHE 38 -0.720 -5.461 -12.253 281 HZ PHE 38 HZ PHE 38 -0.499 -4.180 -10.160 282 H ARG 39 H ARG 39 3.799 -10.936 -9.394 283 HA ARG 39 HA ARG 39 3.734 -13.252 -11.213 284 1HB ARG 39 1HB ARG 39 6.105 -11.517 -10.509 285 2HB ARG 39 2HB ARG 39 6.265 -13.112 -11.234 286 1HG ARG 39 1HG ARG 39 4.484 -11.165 -12.583 287 2HG ARG 39 2HG ARG 39 6.226 -10.893 -12.679 288 1HD ARG 39 1HD ARG 39 5.660 -12.187 -14.573 289 2HD ARG 39 2HD ARG 39 6.429 -13.295 -13.437 290 HE ARG 39 HE ARG 39 4.456 -14.445 -13.273 291 1HH1 ARG 39 1HH1 ARG 39 3.781 -11.336 -14.763 292 2HH1 ARG 39 2HH1 ARG 39 2.142 -11.748 -15.144 293 1HH2 ARG 39 1HH2 ARG 39 2.306 -14.959 -13.785 294 2HH2 ARG 39 2HH2 ARG 39 1.309 -13.794 -14.591 295 HA PRO 40 HA PRO 40 4.245 -15.266 -7.241 296 1HB PRO 40 1HB PRO 40 4.128 -17.820 -7.999 297 2HB PRO 40 2HB PRO 40 2.709 -16.769 -8.094 298 1HG PRO 40 1HG PRO 40 4.568 -17.646 -10.265 299 2HG PRO 40 2HG PRO 40 2.802 -17.485 -10.296 300 1HD PRO 40 1HD PRO 40 4.580 -15.607 -11.287 301 2HD PRO 40 2HD PRO 40 2.906 -15.264 -10.808 302 H ASP 41 H ASP 41 6.224 -16.398 -9.974 303 HA ASP 41 HA ASP 41 8.313 -17.224 -8.095 304 1HB ASP 41 1HB ASP 41 7.916 -17.773 -11.035 305 2HB ASP 41 2HB ASP 41 9.340 -18.282 -10.130 306 H ASP 42 H ASP 42 7.602 -14.437 -9.853 307 HA ASP 42 HA ASP 42 10.366 -13.859 -10.562 308 1HB ASP 42 1HB ASP 42 8.183 -13.207 -11.887 309 2HB ASP 42 2HB ASP 42 8.166 -11.840 -10.776 310 H ASP 43 H ASP 43 11.727 -12.889 -9.219 311 HA ASP 43 HA ASP 43 10.649 -11.543 -6.843 312 1HB ASP 43 1HB ASP 43 12.953 -11.822 -5.930 313 2HB ASP 43 2HB ASP 43 12.183 -13.349 -6.350 314 H GLY 44 H GLY 44 10.505 -10.121 -9.246 315 1HA GLY 44 1HA GLY 44 12.726 -8.201 -9.144 316 2HA GLY 44 2HA GLY 44 11.534 -8.324 -10.428 317 H ILE 45 H ILE 45 11.625 -5.900 -9.991 318 HA ILE 45 HA ILE 45 9.797 -5.177 -7.791 319 HB ILE 45 HB ILE 45 11.563 -3.259 -9.314 320 1HG1 ILE 45 1HG1 ILE 45 13.002 -4.913 -8.203 321 2HG1 ILE 45 2HG1 ILE 45 13.123 -3.344 -7.413 322 1HG2 ILE 45 1HG2 ILE 45 9.572 -2.398 -8.073 323 2HG2 ILE 45 2HG2 ILE 45 10.313 -2.993 -6.588 324 3HG2 ILE 45 3HG2 ILE 45 11.116 -1.739 -7.533 325 1HD1 ILE 45 1HD1 ILE 45 11.482 -5.671 -6.443 326 2HD1 ILE 45 2HD1 ILE 45 13.045 -5.166 -5.802 327 3HD1 ILE 45 3HD1 ILE 45 11.644 -4.108 -5.644 328 H PHE 46 H PHE 46 7.793 -4.466 -8.310 329 HA PHE 46 HA PHE 46 7.323 -3.514 -11.065 330 1HB PHE 46 1HB PHE 46 5.405 -5.221 -9.466 331 2HB PHE 46 2HB PHE 46 5.216 -4.696 -11.135 332 HD1 PHE 46 HD1 PHE 46 7.607 -6.613 -8.998 333 HD2 PHE 46 HD2 PHE 46 5.763 -6.169 -12.809 334 HE1 PHE 46 HE1 PHE 46 8.706 -8.675 -9.766 335 HE2 PHE 46 HE2 PHE 46 6.859 -8.233 -13.582 336 HZ PHE 46 HZ PHE 46 8.332 -9.487 -12.060 337 H VAL 47 H VAL 47 5.781 -1.894 -11.340 338 HA VAL 47 HA VAL 47 5.271 -0.275 -8.982 339 HB VAL 47 HB VAL 47 4.506 0.338 -11.841 340 1HG1 VAL 47 1HG1 VAL 47 3.373 1.674 -10.117 341 2HG1 VAL 47 2HG1 VAL 47 4.944 2.158 -9.476 342 3HG1 VAL 47 3HG1 VAL 47 4.465 2.648 -11.101 343 1HG2 VAL 47 1HG2 VAL 47 6.936 -0.105 -11.610 344 2HG2 VAL 47 2HG2 VAL 47 6.569 1.561 -12.057 345 3HG2 VAL 47 3HG2 VAL 47 7.020 1.173 -10.397 346 H THR 48 H THR 48 3.765 -1.769 -8.010 347 HA THR 48 HA THR 48 1.517 -2.930 -8.830 348 HB THR 48 HB THR 48 2.147 -3.061 -6.544 349 HG1 THR 48 HG1 THR 48 0.096 -3.461 -6.351 350 1HG2 THR 48 1HG2 THR 48 1.083 -0.460 -5.711 351 2HG2 THR 48 2HG2 THR 48 2.458 -1.380 -5.100 352 3HG2 THR 48 3HG2 THR 48 2.627 -0.409 -6.563 353 H ARG 49 H ARG 49 1.365 0.557 -7.836 354 HA ARG 49 HA ARG 49 -0.646 1.035 -9.846 355 1HB ARG 49 1HB ARG 49 -2.414 1.744 -8.286 356 2HB ARG 49 2HB ARG 49 -2.044 0.031 -8.137 357 1HG ARG 49 1HG ARG 49 -0.647 0.543 -6.162 358 2HG ARG 49 2HG ARG 49 -1.140 2.231 -6.288 359 1HD ARG 49 1HD ARG 49 -3.518 0.720 -6.323 360 2HD ARG 49 2HD ARG 49 -2.508 0.015 -5.060 361 HE ARG 49 HE ARG 49 -2.696 2.894 -4.979 362 1HH1 ARG 49 1HH1 ARG 49 -4.114 -0.119 -3.859 363 2HH1 ARG 49 2HH1 ARG 49 -4.864 0.614 -2.480 364 1HH2 ARG 49 1HH2 ARG 49 -3.690 3.830 -3.165 365 2HH2 ARG 49 2HH2 ARG 49 -4.624 2.846 -2.089 366 H VAL 50 H VAL 50 -1.712 3.321 -9.331 367 HA VAL 50 HA VAL 50 0.330 5.186 -8.334 368 HB VAL 50 HB VAL 50 -1.106 5.648 -10.955 369 1HG1 VAL 50 1HG1 VAL 50 -0.118 7.544 -9.489 370 2HG1 VAL 50 2HG1 VAL 50 1.435 6.959 -10.086 371 3HG1 VAL 50 3HG1 VAL 50 0.211 7.528 -11.221 372 1HG2 VAL 50 1HG2 VAL 50 0.411 3.679 -11.108 373 2HG2 VAL 50 2HG2 VAL 50 0.885 5.027 -12.142 374 3HG2 VAL 50 3HG2 VAL 50 1.747 4.728 -10.633 375 H GLN 51 H GLN 51 -0.518 7.142 -7.497 376 HA GLN 51 HA GLN 51 -3.439 7.125 -7.149 377 1HB GLN 51 1HB GLN 51 -1.180 7.905 -5.411 378 2HB GLN 51 2HB GLN 51 -2.608 8.926 -5.312 379 1HG GLN 51 1HG GLN 51 -3.915 6.754 -5.007 380 2HG GLN 51 2HG GLN 51 -2.346 6.006 -4.706 381 1HE2 GLN 51 2HE2 GLN 51 -2.324 5.618 -2.594 382 2HE2 GLN 51 1HE2 GLN 51 -2.630 6.784 -1.357 383 HA PRO 52 HA PRO 52 -2.882 11.656 -8.362 384 1HB PRO 52 1HB PRO 52 -0.542 12.921 -8.382 385 2HB PRO 52 2HB PRO 52 -1.373 12.587 -6.857 386 1HG PRO 52 1HG PRO 52 0.897 11.105 -8.136 387 2HG PRO 52 2HG PRO 52 0.702 11.602 -6.446 388 1HD PRO 52 1HD PRO 52 0.137 9.080 -7.363 389 2HD PRO 52 2HD PRO 52 -0.641 9.815 -5.948 390 H GLU 53 H GLU 53 -3.399 11.520 -10.477 391 HA GLU 53 HA GLU 53 -1.586 10.420 -12.413 392 1HB GLU 53 1HB GLU 53 -4.337 11.630 -12.577 393 2HB GLU 53 2HB GLU 53 -3.437 11.198 -14.025 394 1HG GLU 53 1HG GLU 53 -3.369 8.900 -13.382 395 2HG GLU 53 2HG GLU 53 -4.048 9.271 -11.799 396 H GLY 54 H GLY 54 0.102 12.046 -11.814 397 1HA GLY 54 1HA GLY 54 -0.029 14.262 -13.724 398 2HA GLY 54 2HA GLY 54 0.320 14.648 -12.046 399 HA PRO 55 HA PRO 55 4.644 13.921 -12.575 400 1HB PRO 55 1HB PRO 55 5.301 11.981 -10.706 401 2HB PRO 55 2HB PRO 55 5.155 13.708 -10.370 402 1HG PRO 55 1HG PRO 55 3.188 11.512 -9.903 403 2HG PRO 55 2HG PRO 55 3.561 12.922 -8.895 404 1HD PRO 55 1HD PRO 55 1.359 12.827 -10.428 405 2HD PRO 55 2HD PRO 55 2.250 14.339 -10.167 406 H ALA 56 H ALA 56 3.748 10.609 -11.605 407 HA ALA 56 HA ALA 56 4.949 9.646 -14.107 408 1HB ALA 56 1HB ALA 56 5.781 8.955 -11.745 409 2HB ALA 56 2HB ALA 56 4.387 7.876 -11.762 410 3HB ALA 56 3HB ALA 56 5.630 7.732 -13.005 411 H SER 57 H SER 57 2.431 10.605 -14.430 412 HA SER 57 HA SER 57 0.499 8.464 -14.193 413 1HB SER 57 1HB SER 57 -1.062 10.031 -15.231 414 2HB SER 57 2HB SER 57 -0.181 10.832 -13.930 415 HG SER 57 HG SER 57 1.065 11.884 -15.428 416 H LYS 58 H LYS 58 1.810 10.359 -16.903 417 HA LYS 58 HA LYS 58 1.085 8.249 -18.766 418 1HB LYS 58 1HB LYS 58 0.871 10.799 -19.152 419 2HB LYS 58 2HB LYS 58 2.597 10.741 -19.486 420 1HG LYS 58 1HG LYS 58 1.522 10.595 -21.571 421 2HG LYS 58 2HG LYS 58 2.082 8.964 -21.199 422 1HD LYS 58 1HD LYS 58 -0.145 8.338 -20.464 423 2HD LYS 58 2HD LYS 58 -0.719 9.984 -20.735 424 1HE LYS 58 1HE LYS 58 -0.074 9.711 -23.144 425 2HE LYS 58 2HE LYS 58 0.235 8.010 -22.801 426 1HZ LYS 58 1HZ LYS 58 -2.080 7.786 -22.099 427 2HZ LYS 58 2HZ LYS 58 -2.365 9.410 -22.477 428 3HZ LYS 58 3HZ LYS 58 -1.971 8.313 -23.704 429 H LEU 59 H LEU 59 3.651 8.515 -16.709 430 HA LEU 59 HA LEU 59 5.716 7.842 -18.638 431 1HB LEU 59 1HB LEU 59 5.723 8.369 -15.677 432 2HB LEU 59 2HB LEU 59 7.125 7.712 -16.501 433 HG LEU 59 HG LEU 59 7.293 10.142 -16.188 434 1HD1 LEU 59 1HD1 LEU 59 8.340 8.991 -18.133 435 2HD1 LEU 59 2HD1 LEU 59 6.935 9.449 -19.096 436 3HD1 LEU 59 3HD1 LEU 59 7.978 10.695 -18.410 437 1HD2 LEU 59 1HD2 LEU 59 4.802 10.510 -16.359 438 2HD2 LEU 59 2HD2 LEU 59 5.814 11.676 -17.210 439 3HD2 LEU 59 3HD2 LEU 59 4.993 10.400 -18.109 440 H LEU 60 H LEU 60 4.679 6.418 -15.524 441 HA LEU 60 HA LEU 60 5.514 3.791 -16.527 442 1HB LEU 60 1HB LEU 60 4.728 4.529 -13.715 443 2HB LEU 60 2HB LEU 60 5.581 3.087 -14.243 444 HG LEU 60 HG LEU 60 6.860 5.712 -14.809 445 1HD1 LEU 60 1HD1 LEU 60 5.998 5.831 -12.449 446 2HD1 LEU 60 2HD1 LEU 60 7.030 4.448 -12.084 447 3HD1 LEU 60 3HD1 LEU 60 7.748 5.966 -12.625 448 1HD2 LEU 60 1HD2 LEU 60 7.832 2.983 -13.980 449 2HD2 LEU 60 2HD2 LEU 60 7.930 3.708 -15.585 450 3HD2 LEU 60 3HD2 LEU 60 8.877 4.377 -14.255 451 H GLN 61 H GLN 61 4.203 2.007 -16.516 452 HA GLN 61 HA GLN 61 1.317 2.537 -16.259 453 1HB GLN 61 1HB GLN 61 1.011 0.569 -17.732 454 2HB GLN 61 2HB GLN 61 1.963 1.836 -18.494 455 1HG GLN 61 1HG GLN 61 3.881 0.606 -18.471 456 2HG GLN 61 2HG GLN 61 3.403 -0.317 -17.047 457 1HE2 GLN 61 2HE2 GLN 61 3.101 -2.370 -17.480 458 2HE2 GLN 61 1HE2 GLN 61 2.446 -3.026 -18.938 459 HA PRO 62 HA PRO 62 1.094 -0.002 -12.620 460 1HB PRO 62 1HB PRO 62 -1.403 -1.124 -13.787 461 2HB PRO 62 2HB PRO 62 -1.127 -0.400 -12.200 462 1HG PRO 62 1HG PRO 62 -2.415 0.948 -14.094 463 2HG PRO 62 2HG PRO 62 -1.267 1.767 -13.017 464 1HD PRO 62 1HD PRO 62 -0.928 0.920 -15.861 465 2HD PRO 62 2HD PRO 62 -0.333 2.376 -15.039 466 H GLY 63 H GLY 63 2.067 -1.855 -12.136 467 1HA GLY 63 1HA GLY 63 2.555 -4.118 -12.180 468 2HA GLY 63 2HA GLY 63 1.499 -4.294 -13.569 469 H ASP 64 H ASP 64 4.176 -2.003 -13.447 470 HA ASP 64 HA ASP 64 5.329 -3.309 -15.768 471 1HB ASP 64 1HB ASP 64 5.041 -0.685 -15.118 472 2HB ASP 64 2HB ASP 64 6.701 -0.960 -14.601 473 H LYS 65 H LYS 65 7.999 -2.767 -15.554 474 HA LYS 65 HA LYS 65 8.916 -4.097 -13.107 475 1HB LYS 65 1HB LYS 65 8.563 -5.751 -15.017 476 2HB LYS 65 2HB LYS 65 9.896 -4.943 -15.832 477 1HG LYS 65 1HG LYS 65 11.363 -5.483 -13.940 478 2HG LYS 65 2HG LYS 65 10.024 -6.330 -13.161 479 1HD LYS 65 1HD LYS 65 9.918 -7.907 -15.003 480 2HD LYS 65 2HD LYS 65 11.187 -7.030 -15.857 481 1HE LYS 65 1HE LYS 65 12.683 -7.493 -13.889 482 2HE LYS 65 2HE LYS 65 11.422 -8.560 -13.273 483 1HZ LYS 65 1HZ LYS 65 11.600 -9.864 -15.312 484 2HZ LYS 65 2HZ LYS 65 12.839 -8.854 -15.868 485 3HZ LYS 65 3HZ LYS 65 13.079 -9.805 -14.491 486 H ILE 66 H ILE 66 10.607 -3.081 -12.250 487 HA ILE 66 HA ILE 66 12.012 -1.077 -13.848 488 HB ILE 66 HB ILE 66 12.278 -1.584 -10.881 489 1HG1 ILE 66 1HG1 ILE 66 10.557 0.512 -12.215 490 2HG1 ILE 66 2HG1 ILE 66 9.926 -1.025 -11.634 491 1HG2 ILE 66 1HG2 ILE 66 13.023 0.756 -12.631 492 2HG2 ILE 66 2HG2 ILE 66 13.083 0.765 -10.868 493 3HG2 ILE 66 3HG2 ILE 66 14.122 -0.330 -11.780 494 1HD1 ILE 66 1HD1 ILE 66 11.437 0.783 -9.799 495 2HD1 ILE 66 2HD1 ILE 66 9.730 1.062 -10.142 496 3HD1 ILE 66 3HD1 ILE 66 10.246 -0.460 -9.416 497 H ILE 67 H ILE 67 13.942 -1.491 -14.708 498 HA ILE 67 HA ILE 67 15.444 -3.820 -13.726 499 HB ILE 67 HB ILE 67 15.868 -2.376 -16.344 500 1HG1 ILE 67 1HG1 ILE 67 13.580 -3.262 -16.272 501 2HG1 ILE 67 2HG1 ILE 67 14.573 -4.183 -17.397 502 1HG2 ILE 67 1HG2 ILE 67 16.750 -5.068 -15.311 503 2HG2 ILE 67 2HG2 ILE 67 16.937 -4.531 -16.980 504 3HG2 ILE 67 3HG2 ILE 67 17.771 -3.678 -15.681 505 1HD1 ILE 67 1HD1 ILE 67 14.114 -5.079 -14.573 506 2HD1 ILE 67 2HD1 ILE 67 13.017 -5.492 -15.891 507 3HD1 ILE 67 3HD1 ILE 67 14.699 -6.020 -15.946 508 H GLN 68 H GLN 68 15.799 -0.375 -14.479 509 HA GLN 68 HA GLN 68 18.188 -0.314 -12.811 510 1HB GLN 68 1HB GLN 68 18.882 -0.734 -15.209 511 2HB GLN 68 2HB GLN 68 18.259 0.867 -15.584 512 1HG GLN 68 1HG GLN 68 20.134 0.750 -13.327 513 2HG GLN 68 2HG GLN 68 20.815 0.343 -14.902 514 1HE2 GLN 68 2HE2 GLN 68 20.885 1.907 -16.513 515 2HE2 GLN 68 1HE2 GLN 68 20.680 3.589 -16.173 516 H ALA 69 H ALA 69 18.709 1.716 -11.976 517 HA ALA 69 HA ALA 69 16.995 3.981 -12.649 518 1HB ALA 69 1HB ALA 69 15.876 2.670 -10.824 519 2HB ALA 69 2HB ALA 69 17.254 3.059 -9.793 520 3HB ALA 69 3HB ALA 69 16.234 4.351 -10.426 521 H ASN 70 H ASN 70 18.224 5.733 -12.841 522 HA ASN 70 HA ASN 70 20.057 7.107 -12.812 523 1HB ASN 70 1HB ASN 70 19.714 6.461 -9.882 524 2HB ASN 70 2HB ASN 70 20.735 7.763 -10.487 525 1HD2 ASN 70 2HD2 ASN 70 19.650 9.499 -9.767 526 2HD2 ASN 70 1HD2 ASN 70 18.026 9.892 -10.204 527 H GLY 71 H GLY 71 20.833 4.455 -13.445 528 1HA GLY 71 1HA GLY 71 22.913 3.523 -13.916 529 2HA GLY 71 2HA GLY 71 23.643 4.625 -12.764 530 H TYR 72 H TYR 72 20.983 2.943 -11.409 531 HA TYR 72 HA TYR 72 22.840 1.043 -10.133 532 1HB TYR 72 1HB TYR 72 20.862 2.884 -9.043 533 2HB TYR 72 2HB TYR 72 20.571 1.236 -8.498 534 HD1 TYR 72 HD1 TYR 72 22.363 0.018 -7.262 535 HD2 TYR 72 HD2 TYR 72 22.696 4.151 -8.215 536 HE1 TYR 72 HE1 TYR 72 24.131 0.260 -5.570 537 HE2 TYR 72 HE2 TYR 72 24.466 4.403 -6.527 538 HH TYR 72 HH TYR 72 26.207 2.092 -5.326 539 H SER 73 H SER 73 22.521 -1.028 -10.621 540 HA SER 73 HA SER 73 20.281 -1.873 -12.179 541 1HB SER 73 1HB SER 73 21.305 -4.118 -12.019 542 2HB SER 73 2HB SER 73 22.488 -2.895 -12.480 543 HG SER 73 HG SER 73 23.504 -3.927 -10.891 544 H PHE 74 H PHE 74 18.451 -2.922 -11.573 545 HA PHE 74 HA PHE 74 18.020 -3.255 -8.684 546 1HB PHE 74 1HB PHE 74 16.233 -2.599 -10.982 547 2HB PHE 74 2HB PHE 74 15.539 -3.422 -9.590 548 HD1 PHE 74 HD1 PHE 74 18.079 -0.713 -9.948 549 HD2 PHE 74 HD2 PHE 74 14.344 -1.933 -8.306 550 HE1 PHE 74 HE1 PHE 74 17.895 1.440 -8.773 551 HE2 PHE 74 HE2 PHE 74 14.155 0.220 -7.130 552 HZ PHE 74 HZ PHE 74 15.933 1.908 -7.361 553 H ILE 75 H ILE 75 19.319 -5.256 -10.567 554 HA ILE 75 HA ILE 75 17.383 -7.448 -10.411 555 HB ILE 75 HB ILE 75 19.912 -6.999 -11.996 556 1HG1 ILE 75 1HG1 ILE 75 17.737 -6.271 -12.877 557 2HG1 ILE 75 2HG1 ILE 75 18.454 -7.532 -13.876 558 1HG2 ILE 75 1HG2 ILE 75 18.653 -9.709 -11.553 559 2HG2 ILE 75 2HG2 ILE 75 19.705 -9.332 -12.916 560 3HG2 ILE 75 3HG2 ILE 75 20.328 -9.241 -11.268 561 1HD1 ILE 75 1HD1 ILE 75 16.929 -8.986 -12.145 562 2HD1 ILE 75 2HD1 ILE 75 15.961 -7.527 -12.359 563 3HD1 ILE 75 3HD1 ILE 75 16.439 -8.481 -13.763 564 H ASN 76 H ASN 76 17.685 -9.235 -9.153 565 HA ASN 76 HA ASN 76 18.390 -10.518 -7.418 566 1HB ASN 76 1HB ASN 76 21.044 -9.443 -8.360 567 2HB ASN 76 2HB ASN 76 20.912 -10.603 -7.041 568 1HD2 ASN 76 2HD2 ASN 76 20.926 -12.674 -7.548 569 2HD2 ASN 76 1HD2 ASN 76 20.652 -13.333 -9.122 570 H ILE 77 H ILE 77 17.900 -7.443 -7.040 571 HA ILE 77 HA ILE 77 19.416 -7.029 -4.581 572 HB ILE 77 HB ILE 77 18.488 -4.753 -4.591 573 1HG1 ILE 77 1HG1 ILE 77 17.323 -5.362 -7.302 574 2HG1 ILE 77 2HG1 ILE 77 16.360 -5.492 -5.834 575 1HG2 ILE 77 1HG2 ILE 77 20.595 -5.283 -5.736 576 2HG2 ILE 77 2HG2 ILE 77 19.700 -5.548 -7.232 577 3HG2 ILE 77 3HG2 ILE 77 19.737 -3.944 -6.499 578 1HD1 ILE 77 1HD1 ILE 77 17.805 -2.994 -6.679 579 2HD1 ILE 77 2HD1 ILE 77 16.114 -3.337 -7.042 580 3HD1 ILE 77 3HD1 ILE 77 16.639 -3.170 -5.367 581 H GLU 78 H GLU 78 18.321 -6.095 -2.707 582 HA GLU 78 HA GLU 78 15.942 -7.656 -2.062 583 1HB GLU 78 1HB GLU 78 17.720 -5.969 -0.293 584 2HB GLU 78 2HB GLU 78 16.400 -6.989 0.266 585 1HG GLU 78 1HG GLU 78 17.616 -8.932 -0.786 586 2HG GLU 78 2HG GLU 78 18.987 -7.843 -0.998 587 H HIS 79 H HIS 79 14.057 -6.769 -1.178 588 HA HIS 79 HA HIS 79 12.889 -4.632 -2.413 589 1HB HIS 79 1HB HIS 79 11.707 -6.343 -1.046 590 2HB HIS 79 2HB HIS 79 12.260 -5.522 0.410 591 HD1 HIS 79 HD1 HIS 79 9.572 -5.529 -2.057 592 HD2 HIS 79 HD2 HIS 79 11.162 -2.829 0.674 593 HE1 HIS 79 HE1 HIS 79 7.830 -3.733 -1.791 594 HE2 HIS 79 HE2 HIS 79 8.851 -2.067 -0.201 595 H GLY 80 H GLY 80 14.342 -4.501 0.860 596 1HA GLY 80 1HA GLY 80 13.852 -1.808 1.403 597 2HA GLY 80 2HA GLY 80 15.183 -2.733 2.075 598 H GLN 81 H GLN 81 16.274 -3.209 -0.687 599 HA GLN 81 HA GLN 81 17.934 -0.880 -0.782 600 1HB GLN 81 1HB GLN 81 18.115 -3.553 -1.655 601 2HB GLN 81 2HB GLN 81 18.214 -2.575 -3.114 602 1HG GLN 81 1HG GLN 81 19.949 -2.302 -0.668 603 2HG GLN 81 2HG GLN 81 20.418 -3.024 -2.206 604 1HE2 GLN 81 2HE2 GLN 81 20.965 -0.449 -0.449 605 2HE2 GLN 81 1HE2 GLN 81 21.129 0.772 -1.661 606 H ALA 82 H ALA 82 15.390 -2.244 -2.838 607 HA ALA 82 HA ALA 82 15.554 -0.354 -4.918 608 1HB ALA 82 1HB ALA 82 14.374 -2.483 -5.139 609 2HB ALA 82 2HB ALA 82 13.152 -1.928 -3.994 610 3HB ALA 82 3HB ALA 82 13.329 -1.124 -5.554 611 H VAL 83 H VAL 83 13.629 -0.404 -1.946 612 HA VAL 83 HA VAL 83 12.243 2.031 -2.540 613 HB VAL 83 HB VAL 83 12.597 0.806 0.202 614 1HG1 VAL 83 1HG1 VAL 83 11.675 3.118 0.039 615 2HG1 VAL 83 2HG1 VAL 83 10.341 2.469 -0.915 616 3HG1 VAL 83 3HG1 VAL 83 10.565 1.952 0.756 617 1HG2 VAL 83 1HG2 VAL 83 11.767 -0.885 -1.391 618 2HG2 VAL 83 2HG2 VAL 83 10.556 -0.448 -0.186 619 3HG2 VAL 83 3HG2 VAL 83 10.443 0.195 -1.824 620 H SER 84 H SER 84 15.056 1.161 -0.591 621 HA SER 84 HA SER 84 15.486 3.665 0.599 622 1HB SER 84 1HB SER 84 16.594 1.656 1.415 623 2HB SER 84 2HB SER 84 17.475 1.493 -0.104 624 HG SER 84 HG SER 84 17.782 3.418 1.933 625 H LEU 85 H LEU 85 16.820 2.273 -2.389 626 HA LEU 85 HA LEU 85 18.500 4.412 -3.053 627 1HB LEU 85 1HB LEU 85 17.139 2.328 -4.743 628 2HB LEU 85 2HB LEU 85 18.208 3.532 -5.435 629 HG LEU 85 HG LEU 85 18.947 1.403 -3.423 630 1HD1 LEU 85 1HD1 LEU 85 19.695 1.863 -6.307 631 2HD1 LEU 85 2HD1 LEU 85 20.450 0.665 -5.254 632 3HD1 LEU 85 3HD1 LEU 85 18.737 0.534 -5.654 633 1HD2 LEU 85 1HD2 LEU 85 20.585 3.670 -4.552 634 2HD2 LEU 85 2HD2 LEU 85 20.205 3.362 -2.858 635 3HD2 LEU 85 3HD2 LEU 85 21.269 2.264 -3.736 636 H LEU 86 H LEU 86 15.170 3.732 -4.140 637 HA LEU 86 HA LEU 86 14.944 6.009 -5.772 638 1HB LEU 86 1HB LEU 86 13.007 4.111 -4.532 639 2HB LEU 86 2HB LEU 86 12.390 5.592 -5.243 640 HG LEU 86 HG LEU 86 14.103 3.607 -6.734 641 1HD1 LEU 86 1HD1 LEU 86 11.968 2.605 -6.058 642 2HD1 LEU 86 2HD1 LEU 86 11.110 3.951 -6.809 643 3HD1 LEU 86 3HD1 LEU 86 12.065 2.849 -7.802 644 1HD2 LEU 86 1HD2 LEU 86 13.714 6.200 -7.341 645 2HD2 LEU 86 2HD2 LEU 86 13.917 4.936 -8.552 646 3HD2 LEU 86 3HD2 LEU 86 12.301 5.489 -8.118 647 H LYS 87 H LYS 87 14.223 5.522 -2.352 648 HA LYS 87 HA LYS 87 12.900 8.002 -1.992 649 1HB LYS 87 1HB LYS 87 14.182 6.084 -0.052 650 2HB LYS 87 2HB LYS 87 13.332 7.538 0.457 651 1HG LYS 87 1HG LYS 87 11.904 5.700 -1.374 652 2HG LYS 87 2HG LYS 87 12.145 5.171 0.292 653 1HD LYS 87 1HD LYS 87 11.266 7.592 0.838 654 2HD LYS 87 2HD LYS 87 10.554 7.458 -0.771 655 1HE LYS 87 1HE LYS 87 8.847 6.568 0.438 656 2HE LYS 87 2HE LYS 87 9.792 5.100 0.188 657 1HZ LYS 87 1HZ LYS 87 9.944 6.835 2.594 658 2HZ LYS 87 2HZ LYS 87 9.091 5.377 2.500 659 3HZ LYS 87 3HZ LYS 87 10.776 5.381 2.357 660 H THR 88 H THR 88 16.293 7.005 -1.523 661 HA THR 88 HA THR 88 17.073 9.422 -0.273 662 HB THR 88 HB THR 88 18.292 7.314 0.007 663 HG1 THR 88 HG1 THR 88 19.866 9.327 -1.218 664 1HG2 THR 88 1HG2 THR 88 20.024 7.138 -2.103 665 2HG2 THR 88 2HG2 THR 88 18.668 6.057 -1.785 666 3HG2 THR 88 3HG2 THR 88 18.472 7.415 -2.892 667 H PHE 89 H PHE 89 16.819 8.509 -3.661 668 HA PHE 89 HA PHE 89 18.621 10.129 -4.920 669 1HB PHE 89 1HB PHE 89 15.811 9.404 -5.689 670 2HB PHE 89 2HB PHE 89 16.802 10.410 -6.733 671 HD1 PHE 89 HD1 PHE 89 19.472 9.033 -6.338 672 HD2 PHE 89 HD2 PHE 89 15.547 7.499 -6.958 673 HE1 PHE 89 HE1 PHE 89 20.424 6.997 -7.332 674 HE2 PHE 89 HE2 PHE 89 16.499 5.461 -7.949 675 HZ PHE 89 HZ PHE 89 18.939 5.208 -8.137 676 H GLN 90 H GLN 90 18.113 12.103 -6.291 677 HA GLN 90 HA GLN 90 17.402 14.241 -4.488 678 1HB GLN 90 1HB GLN 90 18.440 14.330 -7.333 679 2HB GLN 90 2HB GLN 90 18.358 15.691 -6.222 680 1HG GLN 90 1HG GLN 90 20.543 15.107 -5.974 681 2HG GLN 90 2HG GLN 90 19.816 14.127 -4.702 682 1HE2 GLN 90 2HE2 GLN 90 20.642 13.974 -8.145 683 2HE2 GLN 90 1HE2 GLN 90 21.159 12.325 -8.126 684 H ASN 91 H ASN 91 16.536 15.941 -7.020 685 HA ASN 91 HA ASN 91 13.728 15.485 -6.623 686 1HB ASN 91 1HB ASN 91 15.248 17.438 -8.359 687 2HB ASN 91 2HB ASN 91 13.492 17.413 -8.219 688 1HD2 ASN 91 2HD2 ASN 91 15.942 19.155 -7.307 689 2HD2 ASN 91 1HD2 ASN 91 15.475 19.623 -5.710 690 H THR 92 H THR 92 15.531 15.875 -9.680 691 HA THR 92 HA THR 92 13.557 14.371 -11.115 692 HB THR 92 HB THR 92 15.896 14.638 -12.729 693 HG1 THR 92 HG1 THR 92 16.851 16.239 -11.749 694 1HG2 THR 92 1HG2 THR 92 13.531 16.488 -12.671 695 2HG2 THR 92 2HG2 THR 92 14.611 16.151 -14.024 696 3HG2 THR 92 3HG2 THR 92 13.520 14.898 -13.433 697 H VAL 93 H VAL 93 13.451 12.251 -11.368 698 HA VAL 93 HA VAL 93 15.895 10.645 -10.954 699 HB VAL 93 HB VAL 93 13.096 9.680 -10.353 700 1HG1 VAL 93 1HG1 VAL 93 14.924 8.028 -10.845 701 2HG1 VAL 93 2HG1 VAL 93 15.741 8.610 -9.394 702 3HG1 VAL 93 3HG1 VAL 93 14.153 7.851 -9.268 703 1HG2 VAL 93 1HG2 VAL 93 13.709 11.591 -8.879 704 2HG2 VAL 93 2HG2 VAL 93 13.493 10.070 -8.013 705 3HG2 VAL 93 3HG2 VAL 93 15.117 10.674 -8.344 706 H GLU 94 H GLU 94 16.521 9.588 -12.713 707 HA GLU 94 HA GLU 94 14.582 9.138 -14.866 708 1HB GLU 94 1HB GLU 94 17.120 10.188 -14.926 709 2HB GLU 94 2HB GLU 94 17.409 8.522 -15.407 710 1HG GLU 94 1HG GLU 94 15.334 10.265 -16.702 711 2HG GLU 94 2HG GLU 94 17.000 10.163 -17.267 712 H LEU 95 H LEU 95 13.583 7.225 -14.677 713 HA LEU 95 HA LEU 95 15.153 4.885 -13.830 714 1HB LEU 95 1HB LEU 95 12.201 5.467 -13.777 715 2HB LEU 95 2HB LEU 95 12.840 3.851 -13.542 716 HG LEU 95 HG LEU 95 14.271 5.008 -11.669 717 1HD1 LEU 95 1HD1 LEU 95 11.916 6.868 -11.947 718 2HD1 LEU 95 2HD1 LEU 95 13.026 6.824 -10.577 719 3HD1 LEU 95 3HD1 LEU 95 13.615 7.282 -12.175 720 1HD2 LEU 95 1HD2 LEU 95 12.395 3.273 -11.515 721 2HD2 LEU 95 2HD2 LEU 95 12.721 4.256 -10.087 722 3HD2 LEU 95 3HD2 LEU 95 11.344 4.634 -11.123 723 H ILE 96 H ILE 96 14.627 2.821 -14.835 724 HA ILE 96 HA ILE 96 13.805 3.074 -17.654 725 HB ILE 96 HB ILE 96 15.884 1.111 -16.675 726 1HG1 ILE 96 1HG1 ILE 96 16.334 3.768 -18.060 727 2HG1 ILE 96 2HG1 ILE 96 16.730 3.411 -16.382 728 1HG2 ILE 96 1HG2 ILE 96 14.578 0.603 -18.750 729 2HG2 ILE 96 2HG2 ILE 96 15.280 2.052 -19.471 730 3HG2 ILE 96 3HG2 ILE 96 16.322 0.715 -18.986 731 1HD1 ILE 96 1HD1 ILE 96 18.144 1.484 -17.494 732 2HD1 ILE 96 2HD1 ILE 96 18.097 2.579 -18.877 733 3HD1 ILE 96 3HD1 ILE 96 18.769 3.126 -17.341 734 H ILE 97 H ILE 97 12.248 1.661 -18.296 735 HA ILE 97 HA ILE 97 11.596 -0.568 -16.466 736 HB ILE 97 HB ILE 97 9.209 -0.203 -16.971 737 1HG1 ILE 97 1HG1 ILE 97 10.132 2.380 -18.254 738 2HG1 ILE 97 2HG1 ILE 97 9.564 0.972 -19.148 739 1HG2 ILE 97 1HG2 ILE 97 10.294 0.757 -14.964 740 2HG2 ILE 97 2HG2 ILE 97 10.546 2.259 -15.855 741 3HG2 ILE 97 3HG2 ILE 97 8.908 1.697 -15.518 742 1HD1 ILE 97 1HD1 ILE 97 7.804 2.117 -17.049 743 2HD1 ILE 97 2HD1 ILE 97 7.966 2.974 -18.582 744 3HD1 ILE 97 3HD1 ILE 97 7.387 1.308 -18.559 745 H VAL 98 H VAL 98 9.933 -2.100 -17.624 746 HA VAL 98 HA VAL 98 10.475 -2.383 -20.469 747 HB VAL 98 HB VAL 98 11.105 -4.679 -18.614 748 1HG1 VAL 98 1HG1 VAL 98 10.372 -5.153 -20.974 749 2HG1 VAL 98 2HG1 VAL 98 11.834 -4.330 -21.514 750 3HG1 VAL 98 3HG1 VAL 98 11.956 -5.788 -20.531 751 1HG2 VAL 98 1HG2 VAL 98 12.743 -2.903 -18.256 752 2HG2 VAL 98 2HG2 VAL 98 13.469 -4.277 -19.091 753 3HG2 VAL 98 3HG2 VAL 98 13.044 -2.821 -19.993 754 H ARG 99 H ARG 99 8.967 -3.576 -21.588 755 HA ARG 99 HA ARG 99 6.676 -4.579 -20.013 756 1HB ARG 99 1HB ARG 99 6.846 -2.877 -22.402 757 2HB ARG 99 2HB ARG 99 5.732 -4.224 -22.596 758 1HG ARG 99 1HG ARG 99 4.318 -2.662 -21.737 759 2HG ARG 99 2HG ARG 99 4.866 -3.429 -20.248 760 1HD ARG 99 1HD ARG 99 5.567 -1.456 -19.511 761 2HD ARG 99 2HD ARG 99 6.712 -1.366 -20.844 762 HE ARG 99 HE ARG 99 4.142 -0.034 -20.636 763 1HH1 ARG 99 1HH1 ARG 99 6.793 -0.912 -22.774 764 2HH1 ARG 99 2HH1 ARG 99 6.402 0.309 -23.935 765 1HH2 ARG 99 1HH2 ARG 99 3.657 1.548 -22.180 766 2HH2 ARG 99 2HH2 ARG 99 4.636 1.694 -23.603 767 H GLU 100 H GLU 100 6.579 -6.757 -19.996 768 HA GLU 100 HA GLU 100 8.197 -8.382 -21.635 769 1HB GLU 100 1HB GLU 100 5.787 -9.131 -19.977 770 2HB GLU 100 2HB GLU 100 6.968 -10.261 -20.626 771 1HG GLU 100 1HG GLU 100 8.715 -9.185 -19.282 772 2HG GLU 100 2HG GLU 100 7.506 -8.092 -18.609 773 H VAL 101 H VAL 101 7.580 -9.971 -23.164 774 HA VAL 101 HA VAL 101 5.175 -9.262 -24.718 775 HB VAL 101 HB VAL 101 6.424 -10.274 -26.678 776 1HG1 VAL 101 1HG1 VAL 101 6.177 -7.788 -26.086 777 2HG1 VAL 101 2HG1 VAL 101 7.868 -7.882 -25.593 778 3HG1 VAL 101 3HG1 VAL 101 7.413 -8.244 -27.258 779 1HG2 VAL 101 1HG2 VAL 101 8.126 -11.340 -25.025 780 2HG2 VAL 101 2HG2 VAL 101 8.686 -10.738 -26.586 781 3HG2 VAL 101 3HG2 VAL 101 8.932 -9.775 -25.131 782 H SER 102 H SER 102 3.947 -10.954 -25.621 783 HA SER 102 HA SER 102 3.951 -13.369 -24.065 784 1HB SER 102 1HB SER 102 1.977 -13.969 -25.474 785 2HB SER 102 2HB SER 102 1.825 -12.395 -24.693 786 HG SER 102 HG SER 102 1.838 -11.459 -26.584 787 H SER 103 H SER 103 4.971 -15.198 -24.517 788 HA SER 103 HA SER 103 5.643 -15.814 -27.313 789 1HB SER 103 1HB SER 103 7.524 -16.150 -24.961 790 2HB SER 103 2HB SER 103 7.860 -16.611 -26.631 791 HG SER 103 HG SER 103 8.010 -14.521 -27.195 792 1H THR 301 1H THR 301 0.529 -1.064 1.507 793 2H THR 301 2H THR 301 -0.057 -0.461 3.004 794 3H THR 301 3H THR 301 -0.887 -0.098 1.547 795 HA THR 301 HA THR 301 -2.043 -1.756 2.761 796 HB THR 301 HB THR 301 -0.664 -3.020 0.391 797 HG1 THR 301 HG1 THR 301 -1.196 -1.168 -0.510 798 1HG2 THR 301 1HG2 THR 301 -2.991 -3.760 -0.128 799 2HG2 THR 301 2HG2 THR 301 -2.284 -4.484 1.316 800 3HG2 THR 301 3HG2 THR 301 -3.464 -3.181 1.470 801 H GLY 302 H GLY 302 1.117 -3.060 1.694 802 1HA GLY 302 1HA GLY 302 1.914 -4.095 4.138 803 2HA GLY 302 2HA GLY 302 0.956 -5.352 3.373 804 H TRP 303 H TRP 303 1.625 -5.562 0.895 805 HA TRP 303 HA TRP 303 4.441 -6.263 0.990 806 1HB TRP 303 1HB TRP 303 3.879 -7.117 -1.440 807 2HB TRP 303 2HB TRP 303 3.380 -8.028 -0.025 808 HD1 TRP 303 HD1 TRP 303 0.873 -8.575 0.186 809 HE1 TRP 303 HE1 TRP 303 -1.242 -7.963 -1.145 810 HE3 TRP 303 HE3 TRP 303 2.852 -5.001 -2.892 811 HZ2 TRP 303 HZ2 TRP 303 -1.974 -6.203 -3.221 812 HZ3 TRP 303 HZ3 TRP 303 1.372 -3.903 -4.524 813 HH2 TRP 303 HH2 TRP 303 -0.992 -4.493 -4.684 814 H GLU 304 H GLU 304 2.528 -3.707 -0.352 815 HA GLU 304 HA GLU 304 4.705 -2.944 -2.162 816 1HB GLU 304 1HB GLU 304 3.066 -1.179 -2.922 817 2HB GLU 304 2HB GLU 304 2.592 -2.841 -3.242 818 1HG GLU 304 1HG GLU 304 1.036 -2.830 -1.450 819 2HG GLU 304 2HG GLU 304 1.644 -1.286 -0.852 820 H THR 305 H THR 305 5.341 -0.651 -2.216 821 HA THR 305 HA THR 305 5.016 0.786 0.307 822 HB THR 305 HB THR 305 7.745 0.308 -0.899 823 HG1 THR 305 HG1 THR 305 6.820 -1.617 0.000 824 1HG2 THR 305 1HG2 THR 305 8.421 0.960 1.476 825 2HG2 THR 305 2HG2 THR 305 7.900 2.242 0.383 826 3HG2 THR 305 3HG2 THR 305 6.794 1.628 1.612 827 H TRP 306 H TRP 306 4.803 2.928 0.010 828 HA TRP 306 HA TRP 306 4.939 3.932 -2.711 829 1HB TRP 306 1HB TRP 306 3.876 5.106 -0.140 830 2HB TRP 306 2HB TRP 306 3.894 5.984 -1.668 831 HD1 TRP 306 HD1 TRP 306 2.246 2.935 -0.001 832 HE1 TRP 306 HE1 TRP 306 0.102 2.356 -1.304 833 HE3 TRP 306 HE3 TRP 306 2.737 6.230 -3.877 834 HZ2 TRP 306 HZ2 TRP 306 -1.202 3.187 -3.663 835 HZ3 TRP 306 HZ3 TRP 306 0.998 6.275 -5.614 836 HH2 TRP 306 HH2 TRP 306 -0.930 4.783 -5.510 837 H VAL 307 H VAL 307 6.616 4.977 -3.501 838 HA VAL 307 HA VAL 307 8.670 5.987 -1.680 839 HB VAL 307 HB VAL 307 10.066 6.191 -3.731 840 1HG1 VAL 307 1HG1 VAL 307 8.854 3.474 -3.246 841 2HG1 VAL 307 2HG1 VAL 307 10.385 3.783 -4.065 842 3HG1 VAL 307 3HG1 VAL 307 10.199 4.193 -2.360 843 1HG2 VAL 307 1HG2 VAL 307 8.081 6.457 -5.267 844 2HG2 VAL 307 2HG2 VAL 307 9.349 5.369 -5.832 845 3HG2 VAL 307 3HG2 VAL 307 7.863 4.711 -5.145 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -1.827 -7.877 -29.128 2 2H GLY 1 2H GLY 1 -1.768 -9.526 -29.498 3 3H GLY 1 3H GLY 1 -1.661 -8.377 -30.736 4 1HA GLY 1 1HA GLY 1 0.472 -7.684 -30.091 5 2HA GLY 1 2HA GLY 1 0.331 -8.522 -28.553 6 H SER 2 H SER 2 -0.325 -9.579 -31.887 7 HA SER 2 HA SER 2 1.568 -11.801 -31.454 8 1HB SER 2 1HB SER 2 -0.948 -11.679 -33.135 9 2HB SER 2 2HB SER 2 0.190 -13.025 -33.163 10 HG SER 2 HG SER 2 -0.291 -13.458 -31.036 11 H HIS 3 H HIS 3 2.678 -9.471 -32.251 12 HA HIS 3 HA HIS 3 2.827 -9.240 -35.106 13 1HB HIS 3 1HB HIS 3 3.233 -7.411 -33.310 14 2HB HIS 3 2HB HIS 3 4.852 -8.093 -33.201 15 HD1 HIS 3 HD1 HIS 3 6.243 -6.356 -34.323 16 HD2 HIS 3 HD2 HIS 3 2.877 -7.358 -36.547 17 HE1 HIS 3 HE1 HIS 3 6.500 -5.149 -36.515 18 HE2 HIS 3 HE2 HIS 3 4.409 -5.699 -37.807 19 H MET 4 H MET 4 4.567 -9.779 -36.450 20 HA MET 4 HA MET 4 6.626 -11.536 -35.309 21 1HB MET 4 1HB MET 4 6.359 -13.069 -37.247 22 2HB MET 4 2HB MET 4 4.949 -13.034 -36.195 23 1HG MET 4 1HG MET 4 4.222 -11.152 -37.942 24 2HG MET 4 2HG MET 4 5.266 -12.118 -38.983 25 1HE MET 4 1HE MET 4 2.303 -12.022 -36.608 26 2HE MET 4 2HE MET 4 1.593 -11.686 -38.187 27 3HE MET 4 3HE MET 4 1.165 -13.163 -37.325 28 H GLY 5 H GLY 5 8.528 -11.770 -36.652 29 1HA GLY 5 1HA GLY 5 9.162 -10.719 -39.048 30 2HA GLY 5 2HA GLY 5 9.156 -9.294 -38.020 31 H HIS 6 H HIS 6 11.288 -8.807 -38.010 32 HA HIS 6 HA HIS 6 13.157 -10.888 -37.074 33 1HB HIS 6 1HB HIS 6 13.477 -9.815 -39.381 34 2HB HIS 6 2HB HIS 6 13.947 -8.360 -38.510 35 HD1 HIS 6 HD1 HIS 6 16.309 -8.673 -39.674 36 HD2 HIS 6 HD2 HIS 6 15.257 -11.618 -36.936 37 HE1 HIS 6 HE1 HIS 6 18.443 -9.894 -39.145 38 HE2 HIS 6 HE2 HIS 6 17.795 -11.623 -37.431 39 H GLU 7 H GLU 7 11.932 -7.665 -36.497 40 HA GLU 7 HA GLU 7 13.923 -6.717 -34.766 41 1HB GLU 7 1HB GLU 7 11.045 -6.075 -35.218 42 2HB GLU 7 2HB GLU 7 11.838 -5.413 -33.794 43 1HG GLU 7 1HG GLU 7 11.964 -3.800 -35.542 44 2HG GLU 7 2HG GLU 7 13.579 -4.454 -35.276 45 H LEU 8 H LEU 8 13.225 -6.125 -32.383 46 HA LEU 8 HA LEU 8 12.958 -8.672 -31.019 47 1HB LEU 8 1HB LEU 8 14.119 -6.055 -30.444 48 2HB LEU 8 2HB LEU 8 13.231 -6.695 -29.074 49 HG LEU 8 HG LEU 8 15.351 -8.274 -30.519 50 1HD1 LEU 8 1HD1 LEU 8 15.629 -6.527 -28.078 51 2HD1 LEU 8 2HD1 LEU 8 16.848 -7.657 -28.667 52 3HD1 LEU 8 3HD1 LEU 8 16.387 -6.265 -29.648 53 1HD2 LEU 8 1HD2 LEU 8 13.731 -9.553 -29.192 54 2HD2 LEU 8 2HD2 LEU 8 15.347 -9.610 -28.487 55 3HD2 LEU 8 3HD2 LEU 8 14.114 -8.563 -27.783 56 H ALA 9 H ALA 9 11.399 -9.168 -29.478 57 HA ALA 9 HA ALA 9 8.925 -7.595 -29.684 58 1HB ALA 9 1HB ALA 9 8.880 -10.002 -30.363 59 2HB ALA 9 2HB ALA 9 9.224 -10.426 -28.687 60 3HB ALA 9 3HB ALA 9 7.729 -9.585 -29.093 61 H LYS 10 H LYS 10 10.347 -6.206 -28.141 62 HA LYS 10 HA LYS 10 9.306 -6.597 -25.465 63 1HB LYS 10 1HB LYS 10 12.283 -6.453 -26.001 64 2HB LYS 10 2HB LYS 10 11.556 -6.219 -24.420 65 1HG LYS 10 1HG LYS 10 11.237 -8.745 -26.023 66 2HG LYS 10 2HG LYS 10 12.523 -8.489 -24.845 67 1HD LYS 10 1HD LYS 10 9.777 -7.928 -23.915 68 2HD LYS 10 2HD LYS 10 10.159 -9.619 -24.241 69 1HE LYS 10 1HE LYS 10 12.343 -8.944 -22.851 70 2HE LYS 10 2HE LYS 10 11.202 -7.798 -22.152 71 1HZ LYS 10 1HZ LYS 10 10.507 -10.655 -22.379 72 2HZ LYS 10 2HZ LYS 10 11.445 -10.102 -21.086 73 3HZ LYS 10 3HZ LYS 10 9.887 -9.490 -21.319 74 H GLN 11 H GLN 11 8.581 -4.669 -24.796 75 HA GLN 11 HA GLN 11 9.426 -2.275 -26.219 76 1HB GLN 11 1HB GLN 11 7.175 -2.912 -24.344 77 2HB GLN 11 2HB GLN 11 7.589 -1.240 -24.701 78 1HG GLN 11 1HG GLN 11 6.088 -1.512 -26.346 79 2HG GLN 11 2HG GLN 11 7.463 -2.215 -27.194 80 1HE2 GLN 11 2HE2 GLN 11 4.755 -3.064 -25.084 81 2HE2 GLN 11 1HE2 GLN 11 4.481 -4.626 -25.770 82 H GLU 12 H GLU 12 11.503 -1.912 -25.407 83 HA GLU 12 HA GLU 12 11.837 -1.445 -22.544 84 1HB GLU 12 1HB GLU 12 13.552 -2.676 -23.929 85 2HB GLU 12 2HB GLU 12 13.884 -1.158 -24.751 86 1HG GLU 12 1HG GLU 12 14.483 -0.167 -22.555 87 2HG GLU 12 2HG GLU 12 14.288 -1.764 -21.833 88 H ILE 13 H ILE 13 11.651 0.552 -21.664 89 HA ILE 13 HA ILE 13 12.228 2.912 -23.296 90 HB ILE 13 HB ILE 13 10.056 3.963 -22.579 91 1HG1 ILE 13 1HG1 ILE 13 9.508 1.097 -21.753 92 2HG1 ILE 13 2HG1 ILE 13 9.414 2.536 -20.748 93 1HG2 ILE 13 1HG2 ILE 13 10.538 3.038 -24.843 94 2HG2 ILE 13 2HG2 ILE 13 9.781 1.526 -24.341 95 3HG2 ILE 13 3HG2 ILE 13 8.826 3.008 -24.415 96 1HD1 ILE 13 1HD1 ILE 13 7.587 2.977 -22.802 97 2HD1 ILE 13 2HD1 ILE 13 7.392 1.281 -22.362 98 3HD1 ILE 13 3HD1 ILE 13 7.235 2.534 -21.132 99 H ARG 14 H ARG 14 12.341 4.915 -22.068 100 HA ARG 14 HA ARG 14 12.934 4.475 -19.207 101 1HB ARG 14 1HB ARG 14 14.839 5.018 -20.922 102 2HB ARG 14 2HB ARG 14 14.224 6.660 -20.800 103 1HG ARG 14 1HG ARG 14 14.553 6.565 -18.357 104 2HG ARG 14 2HG ARG 14 15.266 4.963 -18.546 105 1HD ARG 14 1HD ARG 14 17.070 6.485 -18.411 106 2HD ARG 14 2HD ARG 14 16.947 6.018 -20.102 107 HE ARG 14 HE ARG 14 16.413 8.631 -18.954 108 1HH1 ARG 14 1HH1 ARG 14 16.107 6.592 -21.805 109 2HH1 ARG 14 2HH1 ARG 14 15.939 7.937 -22.878 110 1HH2 ARG 14 1HH2 ARG 14 16.180 10.365 -20.388 111 2HH2 ARG 14 2HH2 ARG 14 15.978 10.064 -22.082 112 H VAL 15 H VAL 15 12.615 6.315 -17.770 113 HA VAL 15 HA VAL 15 11.012 8.534 -18.767 114 HB VAL 15 HB VAL 15 9.252 8.180 -17.025 115 1HG1 VAL 15 1HG1 VAL 15 8.852 7.642 -19.375 116 2HG1 VAL 15 2HG1 VAL 15 9.482 6.016 -19.114 117 3HG1 VAL 15 3HG1 VAL 15 7.998 6.526 -18.310 118 1HG2 VAL 15 1HG2 VAL 15 10.603 6.614 -15.639 119 2HG2 VAL 15 2HG2 VAL 15 8.978 6.030 -15.996 120 3HG2 VAL 15 3HG2 VAL 15 10.361 5.381 -16.877 121 H ARG 16 H ARG 16 10.824 10.298 -17.289 122 HA ARG 16 HA ARG 16 12.738 10.186 -15.041 123 1HB ARG 16 1HB ARG 16 12.901 12.700 -15.380 124 2HB ARG 16 2HB ARG 16 13.626 11.701 -16.631 125 1HG ARG 16 1HG ARG 16 11.944 12.176 -18.158 126 2HG ARG 16 2HG ARG 16 10.826 12.716 -16.908 127 1HD ARG 16 1HD ARG 16 11.452 14.746 -17.706 128 2HD ARG 16 2HD ARG 16 12.749 14.519 -16.534 129 HE ARG 16 HE ARG 16 13.823 13.444 -18.732 130 1HH1 ARG 16 1HH1 ARG 16 12.180 16.515 -18.274 131 2HH1 ARG 16 2HH1 ARG 16 13.053 17.300 -19.547 132 1HH2 ARG 16 1HH2 ARG 16 14.958 14.499 -20.388 133 2HH2 ARG 16 2HH2 ARG 16 14.623 16.162 -20.739 134 H VAL 17 H VAL 17 11.991 10.592 -13.052 135 HA VAL 17 HA VAL 17 9.274 11.718 -12.782 136 HB VAL 17 HB VAL 17 10.676 9.949 -10.773 137 1HG1 VAL 17 1HG1 VAL 17 7.805 10.832 -11.044 138 2HG1 VAL 17 2HG1 VAL 17 8.402 9.672 -9.858 139 3HG1 VAL 17 3HG1 VAL 17 8.952 11.346 -9.808 140 1HG2 VAL 17 1HG2 VAL 17 10.258 8.785 -12.942 141 2HG2 VAL 17 2HG2 VAL 17 9.391 8.093 -11.571 142 3HG2 VAL 17 3HG2 VAL 17 8.539 9.115 -12.729 143 H GLU 18 H GLU 18 9.202 13.705 -11.952 144 HA GLU 18 HA GLU 18 11.512 14.750 -10.504 145 1HB GLU 18 1HB GLU 18 9.040 16.102 -11.592 146 2HB GLU 18 2HB GLU 18 10.329 16.938 -10.737 147 1HG GLU 18 1HG GLU 18 11.852 16.615 -12.457 148 2HG GLU 18 2HG GLU 18 10.913 15.305 -13.171 149 H LYS 19 H LYS 19 11.577 14.808 -8.355 150 HA LYS 19 HA LYS 19 9.335 14.106 -6.749 151 1HB LYS 19 1HB LYS 19 12.158 14.350 -6.426 152 2HB LYS 19 2HB LYS 19 11.409 15.330 -5.174 153 1HG LYS 19 1HG LYS 19 11.805 13.106 -4.350 154 2HG LYS 19 2HG LYS 19 10.068 13.391 -4.485 155 1HD LYS 19 1HD LYS 19 10.450 11.218 -5.335 156 2HD LYS 19 2HD LYS 19 10.183 12.254 -6.736 157 1HE LYS 19 1HE LYS 19 12.025 10.894 -7.290 158 2HE LYS 19 2HE LYS 19 12.700 12.470 -6.886 159 1HZ LYS 19 1HZ LYS 19 13.086 11.547 -4.602 160 2HZ LYS 19 2HZ LYS 19 12.697 10.021 -5.219 161 3HZ LYS 19 3HZ LYS 19 14.034 10.863 -5.824 162 H ASP 20 H ASP 20 7.694 15.418 -6.256 163 HA ASP 20 HA ASP 20 8.022 17.920 -5.041 164 1HB ASP 20 1HB ASP 20 8.593 18.447 -7.500 165 2HB ASP 20 2HB ASP 20 6.875 18.223 -7.813 166 HA PRO 21 HA PRO 21 7.482 17.311 -3.191 167 1HB PRO 21 1HB PRO 21 5.904 15.831 -1.314 168 2HB PRO 21 2HB PRO 21 6.204 17.568 -1.344 169 1HG PRO 21 1HG PRO 21 3.748 16.378 -1.790 170 2HG PRO 21 2HG PRO 21 4.195 18.012 -2.311 171 1HD PRO 21 1HD PRO 21 4.158 15.462 -3.883 172 2HD PRO 21 2HD PRO 21 3.658 17.097 -4.371 173 H GLU 22 H GLU 22 5.820 14.418 -4.301 174 HA GLU 22 HA GLU 22 8.263 12.883 -3.742 175 1HB GLU 22 1HB GLU 22 5.446 12.033 -3.068 176 2HB GLU 22 2HB GLU 22 6.816 10.931 -3.095 177 1HG GLU 22 1HG GLU 22 7.918 12.302 -1.372 178 2HG GLU 22 2HG GLU 22 6.490 13.334 -1.313 179 H LEU 23 H LEU 23 7.874 10.534 -4.759 180 HA LEU 23 HA LEU 23 7.885 10.876 -7.544 181 1HB LEU 23 1HB LEU 23 7.640 8.404 -5.844 182 2HB LEU 23 2HB LEU 23 7.766 8.351 -7.593 183 HG LEU 23 HG LEU 23 9.918 9.924 -6.926 184 1HD1 LEU 23 1HD1 LEU 23 9.643 7.806 -4.799 185 2HD1 LEU 23 2HD1 LEU 23 11.099 8.749 -5.121 186 3HD1 LEU 23 3HD1 LEU 23 9.636 9.551 -4.551 187 1HD2 LEU 23 1HD2 LEU 23 9.857 6.922 -7.225 188 2HD2 LEU 23 2HD2 LEU 23 9.957 8.101 -8.532 189 3HD2 LEU 23 3HD2 LEU 23 11.288 7.940 -7.387 190 H GLY 24 H GLY 24 5.498 9.049 -5.588 191 1HA GLY 24 1HA GLY 24 3.134 9.466 -5.859 192 2HA GLY 24 2HA GLY 24 3.443 9.866 -7.539 193 H PHE 25 H PHE 25 5.040 7.058 -6.243 194 HA PHE 25 HA PHE 25 2.921 5.265 -7.083 195 1HB PHE 25 1HB PHE 25 4.239 4.081 -8.746 196 2HB PHE 25 2HB PHE 25 4.096 5.776 -9.194 197 HD1 PHE 25 HD1 PHE 25 6.369 3.209 -7.854 198 HD2 PHE 25 HD2 PHE 25 6.010 7.162 -9.388 199 HE1 PHE 25 HE1 PHE 25 8.817 3.344 -8.068 200 HE2 PHE 25 HE2 PHE 25 8.457 7.302 -9.608 201 HZ PHE 25 HZ PHE 25 9.863 5.392 -8.947 202 H SER 26 H SER 26 3.301 3.037 -6.517 203 HA SER 26 HA SER 26 5.237 2.771 -4.312 204 1HB SER 26 1HB SER 26 3.567 0.742 -3.826 205 2HB SER 26 2HB SER 26 3.236 2.380 -3.265 206 HG SER 26 HG SER 26 2.316 1.394 -5.754 207 H ILE 27 H ILE 27 6.370 0.806 -4.037 208 HA ILE 27 HA ILE 27 6.595 -0.841 -6.478 209 HB ILE 27 HB ILE 27 8.983 -1.191 -5.833 210 1HG1 ILE 27 1HG1 ILE 27 8.706 1.215 -4.055 211 2HG1 ILE 27 2HG1 ILE 27 8.448 -0.403 -3.410 212 1HG2 ILE 27 1HG2 ILE 27 8.360 0.412 -7.566 213 2HG2 ILE 27 2HG2 ILE 27 8.170 1.668 -6.343 214 3HG2 ILE 27 3HG2 ILE 27 9.761 0.976 -6.656 215 1HD1 ILE 27 1HD1 ILE 27 10.949 0.342 -4.882 216 2HD1 ILE 27 2HD1 ILE 27 10.758 0.600 -3.148 217 3HD1 ILE 27 3HD1 ILE 27 10.667 -1.031 -3.811 218 H SER 28 H SER 28 7.084 -3.073 -6.203 219 HA SER 28 HA SER 28 7.084 -4.176 -3.507 220 1HB SER 28 1HB SER 28 4.978 -5.048 -5.495 221 2HB SER 28 2HB SER 28 5.166 -5.601 -3.832 222 HG SER 28 HG SER 28 3.599 -3.758 -4.506 223 H GLY 29 H GLY 29 7.447 -6.566 -3.513 224 1HA GLY 29 1HA GLY 29 7.973 -8.516 -4.952 225 2HA GLY 29 2HA GLY 29 8.908 -7.412 -5.949 226 H GLY 30 H GLY 30 10.932 -6.677 -5.205 227 1HA GLY 30 1HA GLY 30 12.942 -6.821 -4.092 228 2HA GLY 30 2HA GLY 30 12.037 -7.364 -2.685 229 H VAL 31 H VAL 31 13.241 -9.064 -2.009 230 HA VAL 31 HA VAL 31 13.486 -11.330 -3.866 231 HB VAL 31 HB VAL 31 15.636 -10.478 -1.906 232 1HG1 VAL 31 1HG1 VAL 31 15.303 -12.865 -3.667 233 2HG1 VAL 31 2HG1 VAL 31 16.921 -12.219 -3.392 234 3HG1 VAL 31 3HG1 VAL 31 15.941 -12.755 -2.027 235 1HG2 VAL 31 1HG2 VAL 31 15.245 -10.010 -4.817 236 2HG2 VAL 31 2HG2 VAL 31 15.945 -8.960 -3.586 237 3HG2 VAL 31 3HG2 VAL 31 16.880 -10.308 -4.229 238 H GLY 32 H GLY 32 11.348 -11.449 -2.436 239 1HA GLY 32 1HA GLY 32 10.360 -13.180 -1.197 240 2HA GLY 32 2HA GLY 32 11.922 -13.535 -0.489 241 H GLY 33 H GLY 33 11.752 -10.312 -0.012 242 1HA GLY 33 1HA GLY 33 10.656 -10.712 2.681 243 2HA GLY 33 2HA GLY 33 11.702 -9.393 2.178 244 H ARG 34 H ARG 34 8.919 -10.308 0.289 245 HA ARG 34 HA ARG 34 6.981 -8.651 1.481 246 1HB ARG 34 1HB ARG 34 8.720 -7.353 -0.572 247 2HB ARG 34 2HB ARG 34 7.003 -7.058 -0.713 248 1HG ARG 34 1HG ARG 34 8.886 -6.220 1.462 249 2HG ARG 34 2HG ARG 34 7.809 -5.240 0.484 250 1HD ARG 34 1HD ARG 34 6.492 -5.244 2.291 251 2HD ARG 34 2HD ARG 34 6.039 -6.865 1.768 252 HE ARG 34 HE ARG 34 8.182 -7.372 3.284 253 1HH1 ARG 34 1HH1 ARG 34 5.359 -5.380 3.928 254 2HH1 ARG 34 2HH1 ARG 34 5.437 -5.627 5.640 255 1HH2 ARG 34 1HH2 ARG 34 8.253 -7.684 5.531 256 2HH2 ARG 34 2HH2 ARG 34 7.070 -6.928 6.545 257 H GLY 35 H GLY 35 8.241 -9.947 -1.554 258 1HA GLY 35 1HA GLY 35 7.269 -11.369 -3.085 259 2HA GLY 35 2HA GLY 35 5.904 -11.527 -1.990 260 H ASN 36 H ASN 36 6.049 -11.195 -4.938 261 HA ASN 36 HA ASN 36 4.331 -8.805 -5.155 262 1HB ASN 36 1HB ASN 36 5.132 -8.576 -7.499 263 2HB ASN 36 2HB ASN 36 6.419 -8.364 -6.315 264 1HD2 ASN 36 2HD2 ASN 36 7.733 -10.306 -5.852 265 2HD2 ASN 36 1HD2 ASN 36 8.096 -11.369 -7.165 266 HA PRO 37 HA PRO 37 1.504 -11.871 -6.766 267 1HB PRO 37 1HB PRO 37 -0.674 -10.370 -7.014 268 2HB PRO 37 2HB PRO 37 0.023 -10.704 -5.426 269 1HG PRO 37 1HG PRO 37 0.141 -8.221 -7.061 270 2HG PRO 37 2HG PRO 37 0.073 -8.407 -5.301 271 1HD PRO 37 1HD PRO 37 2.383 -7.953 -6.870 272 2HD PRO 37 2HD PRO 37 2.335 -8.386 -5.151 273 H PHE 38 H PHE 38 3.241 -10.211 -8.722 274 HA PHE 38 HA PHE 38 1.413 -10.283 -11.032 275 1HB PHE 38 1HB PHE 38 4.029 -8.821 -10.632 276 2HB PHE 38 2HB PHE 38 3.169 -8.890 -12.167 277 HD1 PHE 38 HD1 PHE 38 0.998 -7.769 -12.424 278 HD2 PHE 38 HD2 PHE 38 3.288 -7.417 -8.853 279 HE1 PHE 38 HE1 PHE 38 -0.350 -5.821 -11.755 280 HE2 PHE 38 HE2 PHE 38 1.943 -5.470 -8.179 281 HZ PHE 38 HZ PHE 38 0.123 -4.670 -9.631 282 H ARG 39 H ARG 39 4.787 -11.036 -10.149 283 HA ARG 39 HA ARG 39 4.728 -13.220 -12.136 284 1HB ARG 39 1HB ARG 39 6.981 -11.387 -11.320 285 2HB ARG 39 2HB ARG 39 7.271 -12.912 -12.147 286 1HG ARG 39 1HG ARG 39 5.340 -10.981 -13.333 287 2HG ARG 39 2HG ARG 39 7.068 -10.662 -13.477 288 1HD ARG 39 1HD ARG 39 6.518 -13.402 -14.135 289 2HD ARG 39 2HD ARG 39 5.471 -12.352 -15.066 290 HE ARG 39 HE ARG 39 7.428 -11.239 -15.927 291 1HH1 ARG 39 1HH1 ARG 39 8.207 -14.344 -14.347 292 2HH1 ARG 39 2HH1 ARG 39 9.684 -14.494 -15.217 293 1HH2 ARG 39 1HH2 ARG 39 9.369 -11.527 -16.991 294 2HH2 ARG 39 2HH2 ARG 39 10.340 -12.928 -16.686 295 HA PRO 40 HA PRO 40 5.532 -15.657 -8.467 296 1HB PRO 40 1HB PRO 40 5.525 -18.106 -9.534 297 2HB PRO 40 2HB PRO 40 4.048 -17.142 -9.428 298 1HG PRO 40 1HG PRO 40 5.800 -17.674 -11.781 299 2HG PRO 40 2HG PRO 40 4.036 -17.535 -11.701 300 1HD PRO 40 1HD PRO 40 5.791 -15.524 -12.515 301 2HD PRO 40 2HD PRO 40 4.106 -15.284 -12.018 302 H ASP 41 H ASP 41 7.417 -16.547 -11.373 303 HA ASP 41 HA ASP 41 9.603 -17.474 -9.707 304 1HB ASP 41 1HB ASP 41 10.662 -18.073 -11.886 305 2HB ASP 41 2HB ASP 41 9.083 -18.812 -11.632 306 H ASP 42 H ASP 42 8.731 -14.451 -11.018 307 HA ASP 42 HA ASP 42 11.526 -13.597 -11.254 308 1HB ASP 42 1HB ASP 42 9.727 -13.058 -13.027 309 2HB ASP 42 2HB ASP 42 9.130 -11.881 -11.862 310 H ASP 43 H ASP 43 12.453 -12.730 -9.521 311 HA ASP 43 HA ASP 43 10.747 -11.469 -7.481 312 1HB ASP 43 1HB ASP 43 12.730 -11.837 -5.967 313 2HB ASP 43 2HB ASP 43 11.974 -13.310 -6.566 314 H GLY 44 H GLY 44 10.816 -9.641 -9.148 315 1HA GLY 44 1HA GLY 44 13.208 -7.959 -8.698 316 2HA GLY 44 2HA GLY 44 12.208 -7.879 -10.141 317 H ILE 45 H ILE 45 11.635 -5.742 -9.992 318 HA ILE 45 HA ILE 45 9.920 -5.033 -7.696 319 HB ILE 45 HB ILE 45 11.592 -3.027 -9.209 320 1HG1 ILE 45 1HG1 ILE 45 13.118 -4.578 -8.081 321 2HG1 ILE 45 2HG1 ILE 45 13.124 -3.013 -7.275 322 1HG2 ILE 45 1HG2 ILE 45 9.555 -2.252 -8.014 323 2HG2 ILE 45 2HG2 ILE 45 10.268 -2.836 -6.510 324 3HG2 ILE 45 3HG2 ILE 45 11.052 -1.538 -7.412 325 1HD1 ILE 45 1HD1 ILE 45 11.231 -4.279 -5.845 326 2HD1 ILE 45 2HD1 ILE 45 12.255 -5.641 -6.303 327 3HD1 ILE 45 3HD1 ILE 45 12.946 -4.273 -5.431 328 H PHE 46 H PHE 46 7.910 -4.419 -8.222 329 HA PHE 46 HA PHE 46 7.378 -3.614 -11.013 330 1HB PHE 46 1HB PHE 46 5.557 -5.203 -9.188 331 2HB PHE 46 2HB PHE 46 5.198 -4.722 -10.843 332 HD1 PHE 46 HD1 PHE 46 7.748 -6.615 -8.886 333 HD2 PHE 46 HD2 PHE 46 5.617 -6.216 -12.552 334 HE1 PHE 46 HE1 PHE 46 8.771 -8.699 -9.707 335 HE2 PHE 46 HE2 PHE 46 6.638 -8.302 -13.374 336 HZ PHE 46 HZ PHE 46 8.216 -9.542 -11.950 337 H VAL 47 H VAL 47 5.837 -2.004 -11.372 338 HA VAL 47 HA VAL 47 5.421 -0.202 -9.113 339 HB VAL 47 HB VAL 47 4.772 0.291 -12.025 340 1HG1 VAL 47 1HG1 VAL 47 3.679 1.757 -10.336 341 2HG1 VAL 47 2HG1 VAL 47 5.283 2.260 -9.802 342 3HG1 VAL 47 3HG1 VAL 47 4.749 2.615 -11.445 343 1HG2 VAL 47 1HG2 VAL 47 7.170 -0.259 -11.684 344 2HG2 VAL 47 2HG2 VAL 47 6.902 1.392 -12.242 345 3HG2 VAL 47 3HG2 VAL 47 7.280 1.084 -10.547 346 H THR 48 H THR 48 3.850 -1.797 -8.231 347 HA THR 48 HA THR 48 1.544 -2.760 -9.126 348 HB THR 48 HB THR 48 2.246 -3.036 -6.839 349 HG1 THR 48 HG1 THR 48 -0.319 -1.834 -6.899 350 1HG2 THR 48 1HG2 THR 48 1.065 -0.496 -5.918 351 2HG2 THR 48 2HG2 THR 48 2.378 -1.456 -5.239 352 3HG2 THR 48 3HG2 THR 48 2.675 -0.420 -6.635 353 H ARG 49 H ARG 49 1.589 0.675 -7.924 354 HA ARG 49 HA ARG 49 -0.426 1.352 -9.880 355 1HB ARG 49 1HB ARG 49 -2.157 2.035 -8.300 356 2HB ARG 49 2HB ARG 49 -1.817 0.315 -8.159 357 1HG ARG 49 1HG ARG 49 -0.242 0.999 -6.244 358 2HG ARG 49 2HG ARG 49 -1.113 2.531 -6.274 359 1HD ARG 49 1HD ARG 49 -2.874 0.198 -6.281 360 2HD ARG 49 2HD ARG 49 -1.839 0.288 -4.858 361 HE ARG 49 HE ARG 49 -2.979 2.162 -4.160 362 1HH1 ARG 49 1HH1 ARG 49 -3.966 1.400 -7.443 363 2HH1 ARG 49 2HH1 ARG 49 -5.303 2.500 -7.416 364 1HH2 ARG 49 1HH2 ARG 49 -4.733 3.599 -4.152 365 2HH2 ARG 49 2HH2 ARG 49 -5.735 3.743 -5.558 366 H VAL 50 H VAL 50 -1.221 3.627 -9.629 367 HA VAL 50 HA VAL 50 0.853 5.392 -8.483 368 HB VAL 50 HB VAL 50 -0.670 5.969 -11.030 369 1HG1 VAL 50 1HG1 VAL 50 0.216 7.902 -9.757 370 2HG1 VAL 50 2HG1 VAL 50 1.838 7.229 -9.931 371 3HG1 VAL 50 3HG1 VAL 50 0.931 7.730 -11.359 372 1HG2 VAL 50 1HG2 VAL 50 0.745 4.008 -11.385 373 2HG2 VAL 50 2HG2 VAL 50 1.362 5.408 -12.264 374 3HG2 VAL 50 3HG2 VAL 50 2.137 4.896 -10.765 375 H GLN 51 H GLN 51 0.099 7.461 -7.702 376 HA GLN 51 HA GLN 51 -2.783 7.459 -7.108 377 1HB GLN 51 1HB GLN 51 -0.390 8.335 -5.593 378 2HB GLN 51 2HB GLN 51 -1.859 9.277 -5.374 379 1HG GLN 51 1HG GLN 51 -2.147 6.346 -5.209 380 2HG GLN 51 2HG GLN 51 -1.248 7.126 -3.908 381 1HE2 GLN 51 2HE2 GLN 51 -2.565 7.247 -2.233 382 2HE2 GLN 51 1HE2 GLN 51 -4.186 7.844 -2.260 383 HA PRO 52 HA PRO 52 -2.354 11.980 -8.428 384 1HB PRO 52 1HB PRO 52 -0.029 13.252 -8.675 385 2HB PRO 52 2HB PRO 52 -0.722 12.934 -7.079 386 1HG PRO 52 1HG PRO 52 1.427 11.437 -8.538 387 2HG PRO 52 2HG PRO 52 1.388 11.961 -6.844 388 1HD PRO 52 1HD PRO 52 0.751 9.425 -7.654 389 2HD PRO 52 2HD PRO 52 0.088 10.189 -6.196 390 H GLU 53 H GLU 53 -3.005 12.107 -10.491 391 HA GLU 53 HA GLU 53 -1.564 10.816 -12.602 392 1HB GLU 53 1HB GLU 53 -3.361 11.796 -14.055 393 2HB GLU 53 2HB GLU 53 -3.955 10.820 -12.717 394 1HG GLU 53 1HG GLU 53 -4.652 12.714 -11.508 395 2HG GLU 53 2HG GLU 53 -3.744 13.808 -12.551 396 H GLY 54 H GLY 54 0.439 12.159 -12.051 397 1HA GLY 54 1HA GLY 54 0.653 14.242 -14.058 398 2HA GLY 54 2HA GLY 54 0.880 14.787 -12.404 399 HA PRO 55 HA PRO 55 5.139 13.660 -12.369 400 1HB PRO 55 1HB PRO 55 5.461 11.782 -10.366 401 2HB PRO 55 2HB PRO 55 5.373 13.527 -10.113 402 1HG PRO 55 1HG PRO 55 3.231 11.461 -9.835 403 2HG PRO 55 2HG PRO 55 3.583 12.858 -8.801 404 1HD PRO 55 1HD PRO 55 1.569 12.910 -10.561 405 2HD PRO 55 2HD PRO 55 2.561 14.351 -10.255 406 H ALA 56 H ALA 56 4.114 10.408 -11.316 407 HA ALA 56 HA ALA 56 5.230 9.362 -13.840 408 1HB ALA 56 1HB ALA 56 6.306 8.951 -11.433 409 2HB ALA 56 2HB ALA 56 5.162 7.610 -11.457 410 3HB ALA 56 3HB ALA 56 6.375 7.756 -12.728 411 H SER 57 H SER 57 2.690 9.971 -14.099 412 HA SER 57 HA SER 57 1.163 7.487 -13.660 413 1HB SER 57 1HB SER 57 -0.854 8.865 -14.056 414 2HB SER 57 2HB SER 57 0.093 9.467 -12.695 415 HG SER 57 HG SER 57 -0.498 10.662 -15.084 416 H LYS 58 H LYS 58 1.249 10.146 -16.024 417 HA LYS 58 HA LYS 58 0.395 8.526 -18.181 418 1HB LYS 58 1HB LYS 58 0.795 11.260 -17.716 419 2HB LYS 58 2HB LYS 58 1.899 10.864 -19.026 420 1HG LYS 58 1HG LYS 58 -0.984 10.042 -19.089 421 2HG LYS 58 2HG LYS 58 -0.453 11.632 -19.640 422 1HD LYS 58 1HD LYS 58 0.906 9.180 -20.675 423 2HD LYS 58 2HD LYS 58 -0.663 9.645 -21.331 424 1HE LYS 58 1HE LYS 58 0.334 11.121 -22.660 425 2HE LYS 58 2HE LYS 58 0.962 11.976 -21.253 426 1HZ LYS 58 1HZ LYS 58 2.870 10.476 -21.257 427 2HZ LYS 58 2HZ LYS 58 2.270 9.692 -22.630 428 3HZ LYS 58 3HZ LYS 58 2.745 11.312 -22.723 429 H LEU 59 H LEU 59 3.466 8.766 -16.633 430 HA LEU 59 HA LEU 59 4.948 7.972 -19.013 431 1HB LEU 59 1HB LEU 59 5.862 8.457 -16.173 432 2HB LEU 59 2HB LEU 59 6.918 8.088 -17.526 433 HG LEU 59 HG LEU 59 5.142 10.524 -17.428 434 1HD1 LEU 59 1HD1 LEU 59 6.828 10.500 -15.595 435 2HD1 LEU 59 2HD1 LEU 59 8.090 10.376 -16.821 436 3HD1 LEU 59 3HD1 LEU 59 7.054 11.803 -16.763 437 1HD2 LEU 59 1HD2 LEU 59 5.831 9.764 -19.661 438 2HD2 LEU 59 2HD2 LEU 59 6.556 11.313 -19.233 439 3HD2 LEU 59 3HD2 LEU 59 7.519 9.838 -19.153 440 H LEU 60 H LEU 60 4.515 6.759 -15.680 441 HA LEU 60 HA LEU 60 5.251 4.075 -16.584 442 1HB LEU 60 1HB LEU 60 4.778 5.160 -13.805 443 2HB LEU 60 2HB LEU 60 5.280 3.519 -14.172 444 HG LEU 60 HG LEU 60 6.925 5.883 -15.030 445 1HD1 LEU 60 1HD1 LEU 60 6.402 5.760 -12.497 446 2HD1 LEU 60 2HD1 LEU 60 7.477 4.362 -12.517 447 3HD1 LEU 60 3HD1 LEU 60 8.076 5.941 -13.022 448 1HD2 LEU 60 1HD2 LEU 60 7.529 2.970 -14.536 449 2HD2 LEU 60 2HD2 LEU 60 7.462 3.787 -16.098 450 3HD2 LEU 60 3HD2 LEU 60 8.731 4.195 -14.943 451 H GLN 61 H GLN 61 3.939 2.280 -16.303 452 HA GLN 61 HA GLN 61 1.114 2.819 -15.638 453 1HB GLN 61 1HB GLN 61 0.504 1.082 -17.347 454 2HB GLN 61 2HB GLN 61 1.159 2.571 -18.009 455 1HG GLN 61 1HG GLN 61 3.413 1.106 -17.817 456 2HG GLN 61 2HG GLN 61 2.229 -0.169 -18.075 457 1HE2 GLN 61 2HE2 GLN 61 2.750 -0.714 -20.128 458 2HE2 GLN 61 1HE2 GLN 61 2.610 0.352 -21.479 459 HA PRO 62 HA PRO 62 1.382 -0.378 -12.600 460 1HB PRO 62 1HB PRO 62 -1.316 -1.259 -13.485 461 2HB PRO 62 2HB PRO 62 -0.753 -0.792 -11.877 462 1HG PRO 62 1HG PRO 62 -2.296 0.839 -13.296 463 2HG PRO 62 2HG PRO 62 -0.956 1.474 -12.322 464 1HD PRO 62 1HD PRO 62 -1.113 1.040 -15.278 465 2HD PRO 62 2HD PRO 62 -0.381 2.382 -14.374 466 H GLY 63 H GLY 63 2.439 -2.247 -12.685 467 1HA GLY 63 1HA GLY 63 2.412 -4.606 -13.152 468 2HA GLY 63 2HA GLY 63 1.601 -4.260 -14.668 469 H ASP 64 H ASP 64 4.170 -2.080 -14.171 470 HA ASP 64 HA ASP 64 5.752 -3.539 -16.144 471 1HB ASP 64 1HB ASP 64 5.903 -0.699 -15.126 472 2HB ASP 64 2HB ASP 64 7.038 -1.384 -16.286 473 H LYS 65 H LYS 65 7.921 -4.043 -15.892 474 HA LYS 65 HA LYS 65 8.796 -4.313 -13.107 475 1HB LYS 65 1HB LYS 65 8.700 -6.346 -14.519 476 2HB LYS 65 2HB LYS 65 9.869 -5.626 -15.616 477 1HG LYS 65 1HG LYS 65 11.462 -5.507 -13.677 478 2HG LYS 65 2HG LYS 65 10.302 -6.477 -12.765 479 1HD LYS 65 1HD LYS 65 10.580 -8.333 -14.167 480 2HD LYS 65 2HD LYS 65 11.323 -7.369 -15.444 481 1HE LYS 65 1HE LYS 65 13.163 -6.919 -13.658 482 2HE LYS 65 2HE LYS 65 12.503 -8.358 -12.880 483 1HZ LYS 65 1HZ LYS 65 13.399 -8.292 -15.707 484 2HZ LYS 65 2HZ LYS 65 14.391 -8.775 -14.425 485 3HZ LYS 65 3HZ LYS 65 12.992 -9.654 -14.791 486 H ILE 66 H ILE 66 10.537 -3.262 -12.314 487 HA ILE 66 HA ILE 66 11.826 -1.289 -14.026 488 HB ILE 66 HB ILE 66 12.274 -1.724 -11.067 489 1HG1 ILE 66 1HG1 ILE 66 10.381 0.267 -12.323 490 2HG1 ILE 66 2HG1 ILE 66 9.855 -1.297 -11.709 491 1HG2 ILE 66 1HG2 ILE 66 12.786 0.623 -12.890 492 2HG2 ILE 66 2HG2 ILE 66 12.959 0.656 -11.135 493 3HG2 ILE 66 3HG2 ILE 66 13.994 -0.394 -12.103 494 1HD1 ILE 66 1HD1 ILE 66 11.397 0.518 -9.924 495 2HD1 ILE 66 2HD1 ILE 66 9.689 0.837 -10.227 496 3HD1 ILE 66 3HD1 ILE 66 10.187 -0.701 -9.523 497 H ILE 67 H ILE 67 13.681 -1.707 -15.030 498 HA ILE 67 HA ILE 67 15.249 -4.026 -14.250 499 HB ILE 67 HB ILE 67 15.832 -2.185 -16.565 500 1HG1 ILE 67 1HG1 ILE 67 13.523 -2.959 -16.800 501 2HG1 ILE 67 2HG1 ILE 67 14.557 -3.765 -17.977 502 1HG2 ILE 67 1HG2 ILE 67 16.520 -5.070 -16.020 503 2HG2 ILE 67 2HG2 ILE 67 16.922 -4.182 -17.491 504 3HG2 ILE 67 3HG2 ILE 67 17.626 -3.698 -15.948 505 1HD1 ILE 67 1HD1 ILE 67 14.650 -5.727 -16.466 506 2HD1 ILE 67 2HD1 ILE 67 13.486 -4.919 -15.416 507 3HD1 ILE 67 3HD1 ILE 67 13.031 -5.357 -17.062 508 H GLN 68 H GLN 68 15.667 -0.502 -14.457 509 HA GLN 68 HA GLN 68 17.883 -0.684 -12.599 510 1HB GLN 68 1HB GLN 68 18.784 -0.977 -14.989 511 2HB GLN 68 2HB GLN 68 18.401 0.727 -15.202 512 1HG GLN 68 1HG GLN 68 19.863 1.279 -13.313 513 2HG GLN 68 2HG GLN 68 20.271 -0.429 -13.147 514 1HE2 GLN 68 2HE2 GLN 68 20.374 2.288 -15.395 515 2HE2 GLN 68 1HE2 GLN 68 21.792 1.773 -16.237 516 H ALA 69 H ALA 69 18.524 1.331 -11.701 517 HA ALA 69 HA ALA 69 16.867 3.655 -12.338 518 1HB ALA 69 1HB ALA 69 15.747 2.364 -10.514 519 2HB ALA 69 2HB ALA 69 17.170 2.653 -9.512 520 3HB ALA 69 3HB ALA 69 16.194 4.012 -10.070 521 H ASN 70 H ASN 70 18.107 5.407 -12.495 522 HA ASN 70 HA ASN 70 19.996 6.712 -12.520 523 1HB ASN 70 1HB ASN 70 19.685 6.107 -9.577 524 2HB ASN 70 2HB ASN 70 20.673 7.413 -10.226 525 1HD2 ASN 70 2HD2 ASN 70 19.550 9.112 -9.436 526 2HD2 ASN 70 1HD2 ASN 70 17.921 9.486 -9.875 527 H GLY 71 H GLY 71 20.772 4.114 -13.213 528 1HA GLY 71 1HA GLY 71 22.858 3.184 -13.672 529 2HA GLY 71 2HA GLY 71 23.564 4.214 -12.443 530 H TYR 72 H TYR 72 20.980 2.731 -10.950 531 HA TYR 72 HA TYR 72 22.730 0.601 -9.919 532 1HB TYR 72 1HB TYR 72 20.328 1.889 -8.604 533 2HB TYR 72 2HB TYR 72 21.391 0.689 -7.874 534 HD1 TYR 72 HD1 TYR 72 23.954 1.384 -7.853 535 HD2 TYR 72 HD2 TYR 72 20.702 4.114 -8.116 536 HE1 TYR 72 HE1 TYR 72 25.400 3.181 -6.997 537 HE2 TYR 72 HE2 TYR 72 22.138 5.917 -7.262 538 HH TYR 72 HH TYR 72 24.876 6.271 -7.312 539 H SER 73 H SER 73 22.212 -1.440 -10.363 540 HA SER 73 HA SER 73 19.876 -2.093 -11.858 541 1HB SER 73 1HB SER 73 22.030 -3.297 -12.112 542 2HB SER 73 2HB SER 73 21.835 -3.953 -10.487 543 HG SER 73 HG SER 73 20.998 -5.495 -11.760 544 H PHE 74 H PHE 74 17.928 -2.818 -11.188 545 HA PHE 74 HA PHE 74 17.536 -3.115 -8.301 546 1HB PHE 74 1HB PHE 74 15.870 -2.169 -10.563 547 2HB PHE 74 2HB PHE 74 15.022 -3.043 -9.294 548 HD1 PHE 74 HD1 PHE 74 17.929 -0.737 -8.944 549 HD2 PHE 74 HD2 PHE 74 13.778 -1.383 -8.255 550 HE1 PHE 74 HE1 PHE 74 17.837 1.315 -7.589 551 HE2 PHE 74 HE2 PHE 74 13.680 0.668 -6.903 552 HZ PHE 74 HZ PHE 74 15.710 2.019 -6.567 553 H ILE 75 H ILE 75 18.500 -5.286 -10.304 554 HA ILE 75 HA ILE 75 16.320 -7.209 -10.066 555 HB ILE 75 HB ILE 75 19.050 -7.683 -11.272 556 1HG1 ILE 75 1HG1 ILE 75 17.971 -5.806 -12.427 557 2HG1 ILE 75 2HG1 ILE 75 18.003 -7.234 -13.457 558 1HG2 ILE 75 1HG2 ILE 75 16.411 -9.117 -11.535 559 2HG2 ILE 75 2HG2 ILE 75 17.844 -9.470 -12.501 560 3HG2 ILE 75 3HG2 ILE 75 17.874 -9.716 -10.754 561 1HD1 ILE 75 1HD1 ILE 75 15.612 -7.615 -12.453 562 2HD1 ILE 75 2HD1 ILE 75 15.701 -5.877 -12.164 563 3HD1 ILE 75 3HD1 ILE 75 15.871 -6.510 -13.803 564 H ASN 76 H ASN 76 16.160 -8.519 -8.377 565 HA ASN 76 HA ASN 76 16.651 -9.752 -6.528 566 1HB ASN 76 1HB ASN 76 19.193 -9.970 -8.109 567 2HB ASN 76 2HB ASN 76 19.143 -10.609 -6.469 568 1HD2 ASN 76 2HD2 ASN 76 19.264 -11.789 -9.274 569 2HD2 ASN 76 1HD2 ASN 76 18.052 -13.020 -9.251 570 H ILE 77 H ILE 77 16.294 -7.693 -5.414 571 HA ILE 77 HA ILE 77 18.598 -7.049 -3.757 572 HB ILE 77 HB ILE 77 18.101 -4.600 -3.902 573 1HG1 ILE 77 1HG1 ILE 77 16.743 -5.166 -6.518 574 2HG1 ILE 77 2HG1 ILE 77 15.805 -5.133 -5.027 575 1HG2 ILE 77 1HG2 ILE 77 20.005 -5.631 -5.058 576 2HG2 ILE 77 2HG2 ILE 77 18.992 -5.892 -6.478 577 3HG2 ILE 77 3HG2 ILE 77 19.362 -4.251 -5.948 578 1HD1 ILE 77 1HD1 ILE 77 17.543 -2.875 -5.990 579 2HD1 ILE 77 2HD1 ILE 77 15.804 -2.993 -6.260 580 3HD1 ILE 77 3HD1 ILE 77 16.434 -2.859 -4.619 581 H GLU 78 H GLU 78 18.056 -6.194 -1.725 582 HA GLU 78 HA GLU 78 15.574 -7.105 -0.694 583 1HB GLU 78 1HB GLU 78 17.836 -5.495 0.478 584 2HB GLU 78 2HB GLU 78 16.379 -5.851 1.399 585 1HG GLU 78 1HG GLU 78 17.720 -8.135 0.085 586 2HG GLU 78 2HG GLU 78 18.548 -7.396 1.455 587 H HIS 79 H HIS 79 13.729 -6.065 -0.211 588 HA HIS 79 HA HIS 79 12.774 -3.927 -1.588 589 1HB HIS 79 1HB HIS 79 11.551 -5.537 -0.001 590 2HB HIS 79 2HB HIS 79 11.903 -4.354 1.256 591 HD1 HIS 79 HD1 HIS 79 10.362 -4.266 -2.232 592 HD2 HIS 79 HD2 HIS 79 9.886 -2.589 1.539 593 HE1 HIS 79 HE1 HIS 79 8.350 -2.766 -2.409 594 HE2 HIS 79 HE2 HIS 79 8.013 -1.859 -0.086 595 H GLY 80 H GLY 80 14.285 -3.685 1.633 596 1HA GLY 80 1HA GLY 80 13.888 -0.936 2.033 597 2HA GLY 80 2HA GLY 80 15.175 -1.889 2.759 598 H GLN 81 H GLN 81 16.240 -2.634 0.088 599 HA GLN 81 HA GLN 81 18.037 -0.436 -0.222 600 1HB GLN 81 1HB GLN 81 18.578 -2.891 -0.574 601 2HB GLN 81 2HB GLN 81 17.707 -2.777 -2.097 602 1HG GLN 81 1HG GLN 81 20.020 -2.536 -2.566 603 2HG GLN 81 2HG GLN 81 19.266 -0.955 -2.771 604 1HE2 GLN 81 2HE2 GLN 81 21.791 -2.623 -1.385 605 2HE2 GLN 81 1HE2 GLN 81 22.321 -1.425 -0.259 606 H ALA 82 H ALA 82 15.408 -1.799 -2.172 607 HA ALA 82 HA ALA 82 15.688 -0.004 -4.347 608 1HB ALA 82 1HB ALA 82 13.301 -1.611 -3.444 609 2HB ALA 82 2HB ALA 82 13.424 -0.762 -4.984 610 3HB ALA 82 3HB ALA 82 14.518 -2.096 -4.624 611 H VAL 83 H VAL 83 13.789 0.101 -1.373 612 HA VAL 83 HA VAL 83 12.345 2.466 -2.102 613 HB VAL 83 HB VAL 83 12.757 1.360 0.683 614 1HG1 VAL 83 1HG1 VAL 83 11.853 3.675 0.492 615 2HG1 VAL 83 2HG1 VAL 83 10.491 3.017 -0.414 616 3HG1 VAL 83 3HG1 VAL 83 10.750 2.535 1.262 617 1HG2 VAL 83 1HG2 VAL 83 11.771 -0.203 -1.169 618 2HG2 VAL 83 2HG2 VAL 83 10.999 -0.107 0.414 619 3HG2 VAL 83 3HG2 VAL 83 10.325 0.783 -0.951 620 H SER 84 H SER 84 15.179 1.767 -0.099 621 HA SER 84 HA SER 84 15.580 4.369 0.886 622 1HB SER 84 1HB SER 84 16.677 2.399 1.857 623 2HB SER 84 2HB SER 84 17.618 2.188 0.381 624 HG SER 84 HG SER 84 18.704 4.068 0.811 625 H LEU 85 H LEU 85 16.779 2.746 -2.019 626 HA LEU 85 HA LEU 85 18.522 4.797 -2.866 627 1HB LEU 85 1HB LEU 85 17.150 2.526 -4.270 628 2HB LEU 85 2HB LEU 85 18.103 3.691 -5.169 629 HG LEU 85 HG LEU 85 19.119 1.923 -2.942 630 1HD1 LEU 85 1HD1 LEU 85 18.639 0.737 -5.044 631 2HD1 LEU 85 2HD1 LEU 85 19.682 1.870 -5.905 632 3HD1 LEU 85 3HD1 LEU 85 20.364 0.793 -4.686 633 1HD2 LEU 85 1HD2 LEU 85 20.465 4.031 -4.618 634 2HD2 LEU 85 2HD2 LEU 85 20.348 3.951 -2.859 635 3HD2 LEU 85 3HD2 LEU 85 21.349 2.790 -3.730 636 H LEU 86 H LEU 86 15.160 4.061 -3.738 637 HA LEU 86 HA LEU 86 14.870 6.149 -5.607 638 1HB LEU 86 1HB LEU 86 12.966 4.430 -4.069 639 2HB LEU 86 2HB LEU 86 12.356 5.776 -5.015 640 HG LEU 86 HG LEU 86 14.069 3.573 -6.162 641 1HD1 LEU 86 1HD1 LEU 86 11.923 2.700 -5.321 642 2HD1 LEU 86 2HD1 LEU 86 11.076 3.884 -6.315 643 3HD1 LEU 86 3HD1 LEU 86 12.048 2.626 -7.078 644 1HD2 LEU 86 1HD2 LEU 86 12.425 5.767 -7.415 645 2HD2 LEU 86 2HD2 LEU 86 14.182 5.615 -7.433 646 3HD2 LEU 86 3HD2 LEU 86 13.186 4.448 -8.303 647 H LYS 87 H LYS 87 14.504 6.065 -2.126 648 HA LYS 87 HA LYS 87 13.105 8.561 -1.967 649 1HB LYS 87 1HB LYS 87 14.501 6.884 0.116 650 2HB LYS 87 2HB LYS 87 13.632 8.367 0.486 651 1HG LYS 87 1HG LYS 87 12.179 6.301 -1.055 652 2HG LYS 87 2HG LYS 87 12.508 5.967 0.646 653 1HD LYS 87 1HD LYS 87 11.580 8.382 1.002 654 2HD LYS 87 2HD LYS 87 10.840 8.123 -0.579 655 1HE LYS 87 1HE LYS 87 9.613 6.252 0.202 656 2HE LYS 87 2HE LYS 87 10.542 6.181 1.699 657 1HZ LYS 87 1HZ LYS 87 9.584 8.370 2.281 658 2HZ LYS 87 2HZ LYS 87 8.602 8.284 0.907 659 3HZ LYS 87 3HZ LYS 87 8.421 7.149 2.149 660 H THR 88 H THR 88 16.496 7.577 -1.726 661 HA THR 88 HA THR 88 17.392 10.103 -0.755 662 HB THR 88 HB THR 88 18.646 8.080 -0.288 663 HG1 THR 88 HG1 THR 88 20.545 9.025 -0.506 664 1HG2 THR 88 1HG2 THR 88 19.999 7.003 -2.034 665 2HG2 THR 88 2HG2 THR 88 18.267 6.774 -2.270 666 3HG2 THR 88 3HG2 THR 88 19.142 7.948 -3.252 667 H PHE 89 H PHE 89 16.855 8.824 -3.974 668 HA PHE 89 HA PHE 89 18.586 10.363 -5.497 669 1HB PHE 89 1HB PHE 89 15.767 9.497 -6.152 670 2HB PHE 89 2HB PHE 89 16.877 10.189 -7.324 671 HD1 PHE 89 HD1 PHE 89 19.381 8.663 -6.177 672 HD2 PHE 89 HD2 PHE 89 15.455 7.458 -7.316 673 HE1 PHE 89 HE1 PHE 89 20.220 6.406 -6.678 674 HE2 PHE 89 HE2 PHE 89 16.294 5.202 -7.813 675 HZ PHE 89 HZ PHE 89 18.675 4.673 -7.495 676 H GLN 90 H GLN 90 18.439 12.327 -6.600 677 HA GLN 90 HA GLN 90 17.390 14.463 -5.096 678 1HB GLN 90 1HB GLN 90 19.413 14.288 -6.769 679 2HB GLN 90 2HB GLN 90 18.221 14.825 -7.947 680 1HG GLN 90 1HG GLN 90 17.743 16.652 -6.107 681 2HG GLN 90 2HG GLN 90 19.397 16.271 -5.636 682 1HE2 GLN 90 2HE2 GLN 90 18.482 18.759 -6.638 683 2HE2 GLN 90 1HE2 GLN 90 19.295 19.055 -8.134 684 H ASN 91 H ASN 91 16.500 15.868 -7.900 685 HA ASN 91 HA ASN 91 13.710 15.474 -7.346 686 1HB ASN 91 1HB ASN 91 15.274 17.245 -9.200 687 2HB ASN 91 2HB ASN 91 13.523 17.115 -9.343 688 1HD2 ASN 91 2HD2 ASN 91 13.197 19.247 -8.760 689 2HD2 ASN 91 1HD2 ASN 91 13.414 19.809 -7.142 690 H THR 92 H THR 92 15.389 15.428 -10.513 691 HA THR 92 HA THR 92 13.328 13.749 -11.609 692 HB THR 92 HB THR 92 14.977 13.738 -13.627 693 HG1 THR 92 HG1 THR 92 16.562 15.244 -13.550 694 1HG2 THR 92 1HG2 THR 92 14.313 15.953 -14.334 695 2HG2 THR 92 2HG2 THR 92 12.959 15.113 -13.578 696 3HG2 THR 92 3HG2 THR 92 13.834 16.357 -12.686 697 H VAL 93 H VAL 93 13.273 11.615 -11.738 698 HA VAL 93 HA VAL 93 15.744 10.104 -11.168 699 HB VAL 93 HB VAL 93 12.923 9.170 -10.608 700 1HG1 VAL 93 1HG1 VAL 93 15.627 8.079 -9.838 701 2HG1 VAL 93 2HG1 VAL 93 14.093 7.489 -9.199 702 3HG1 VAL 93 3HG1 VAL 93 14.447 7.340 -10.920 703 1HG2 VAL 93 1HG2 VAL 93 13.538 11.130 -9.219 704 2HG2 VAL 93 2HG2 VAL 93 13.303 9.657 -8.278 705 3HG2 VAL 93 3HG2 VAL 93 14.935 10.231 -8.625 706 H GLU 94 H GLU 94 16.491 9.161 -12.948 707 HA GLU 94 HA GLU 94 14.690 8.509 -15.140 708 1HB GLU 94 1HB GLU 94 17.698 8.436 -14.870 709 2HB GLU 94 2HB GLU 94 16.845 7.904 -16.313 710 1HG GLU 94 1HG GLU 94 17.456 10.074 -16.824 711 2HG GLU 94 2HG GLU 94 15.781 10.240 -16.297 712 H LEU 95 H LEU 95 13.669 6.609 -15.063 713 HA LEU 95 HA LEU 95 15.096 4.284 -13.941 714 1HB LEU 95 1HB LEU 95 12.116 4.655 -14.230 715 2HB LEU 95 2HB LEU 95 12.934 3.326 -13.429 716 HG LEU 95 HG LEU 95 13.930 5.340 -11.975 717 1HD1 LEU 95 1HD1 LEU 95 12.608 6.968 -13.385 718 2HD1 LEU 95 2HD1 LEU 95 11.161 6.316 -12.617 719 3HD1 LEU 95 3HD1 LEU 95 12.399 7.103 -11.638 720 1HD2 LEU 95 1HD2 LEU 95 11.239 4.030 -11.606 721 2HD2 LEU 95 2HD2 LEU 95 12.797 3.439 -11.028 722 3HD2 LEU 95 3HD2 LEU 95 12.106 4.913 -10.349 723 H ILE 96 H ILE 96 14.896 2.267 -14.944 724 HA ILE 96 HA ILE 96 14.259 2.396 -17.817 725 HB ILE 96 HB ILE 96 15.920 0.253 -16.494 726 1HG1 ILE 96 1HG1 ILE 96 17.018 2.413 -16.068 727 2HG1 ILE 96 2HG1 ILE 96 17.934 1.453 -17.226 728 1HG2 ILE 96 1HG2 ILE 96 15.015 -0.285 -18.680 729 2HG2 ILE 96 2HG2 ILE 96 15.702 1.195 -19.349 730 3HG2 ILE 96 3HG2 ILE 96 16.765 -0.087 -18.769 731 1HD1 ILE 96 1HD1 ILE 96 16.260 2.969 -18.810 732 2HD1 ILE 96 2HD1 ILE 96 16.739 4.068 -17.517 733 3HD1 ILE 96 3HD1 ILE 96 17.969 3.269 -18.495 734 H ILE 97 H ILE 97 12.454 1.353 -18.450 735 HA ILE 97 HA ILE 97 11.534 -0.949 -16.846 736 HB ILE 97 HB ILE 97 9.200 -0.247 -17.266 737 1HG1 ILE 97 1HG1 ILE 97 10.295 2.441 -18.074 738 2HG1 ILE 97 2HG1 ILE 97 9.911 1.211 -19.275 739 1HG2 ILE 97 1HG2 ILE 97 10.397 0.297 -15.169 740 2HG2 ILE 97 2HG2 ILE 97 10.828 1.863 -15.857 741 3HG2 ILE 97 3HG2 ILE 97 9.135 1.463 -15.569 742 1HD1 ILE 97 1HD1 ILE 97 7.883 2.051 -17.247 743 2HD1 ILE 97 2HD1 ILE 97 8.151 2.994 -18.713 744 3HD1 ILE 97 3HD1 ILE 97 7.640 1.309 -18.829 745 H VAL 98 H VAL 98 10.003 -2.382 -18.008 746 HA VAL 98 HA VAL 98 10.105 -2.285 -20.917 747 HB VAL 98 HB VAL 98 11.114 -4.755 -19.504 748 1HG1 VAL 98 1HG1 VAL 98 11.067 -3.896 -22.390 749 2HG1 VAL 98 2HG1 VAL 98 11.931 -5.311 -21.790 750 3HG1 VAL 98 3HG1 VAL 98 10.175 -5.227 -21.652 751 1HG2 VAL 98 1HG2 VAL 98 12.709 -2.941 -19.123 752 2HG2 VAL 98 2HG2 VAL 98 13.365 -4.147 -20.230 753 3HG2 VAL 98 3HG2 VAL 98 12.756 -2.615 -20.855 754 H ARG 99 H ARG 99 8.676 -3.798 -21.946 755 HA ARG 99 HA ARG 99 6.556 -4.807 -20.154 756 1HB ARG 99 1HB ARG 99 6.265 -4.186 -23.097 757 2HB ARG 99 2HB ARG 99 4.983 -4.552 -21.951 758 1HG ARG 99 1HG ARG 99 6.741 -2.154 -21.602 759 2HG ARG 99 2HG ARG 99 5.324 -2.117 -22.654 760 1HD ARG 99 1HD ARG 99 5.425 -2.621 -19.689 761 2HD ARG 99 2HD ARG 99 4.634 -1.295 -20.538 762 HE ARG 99 HE ARG 99 3.557 -3.881 -20.021 763 1HH1 ARG 99 1HH1 ARG 99 3.495 -1.269 -22.369 764 2HH1 ARG 99 2HH1 ARG 99 1.910 -1.670 -22.942 765 1HH2 ARG 99 1HH2 ARG 99 1.481 -4.386 -20.792 766 2HH2 ARG 99 2HH2 ARG 99 0.773 -3.431 -22.050 767 H GLU 100 H GLU 100 6.417 -6.956 -19.996 768 HA GLU 100 HA GLU 100 8.063 -8.672 -21.556 769 1HB GLU 100 1HB GLU 100 5.838 -9.269 -19.601 770 2HB GLU 100 2HB GLU 100 6.867 -10.499 -20.326 771 1HG GLU 100 1HG GLU 100 7.933 -10.161 -18.332 772 2HG GLU 100 2HG GLU 100 8.800 -9.029 -19.369 773 H VAL 101 H VAL 101 7.634 -8.901 -23.659 774 HA VAL 101 HA VAL 101 4.882 -9.614 -24.458 775 HB VAL 101 HB VAL 101 6.969 -8.321 -26.223 776 1HG1 VAL 101 1HG1 VAL 101 5.263 -9.665 -27.381 777 2HG1 VAL 101 2HG1 VAL 101 4.005 -8.675 -26.638 778 3HG1 VAL 101 3HG1 VAL 101 5.149 -7.948 -27.767 779 1HG2 VAL 101 1HG2 VAL 101 4.644 -7.043 -24.789 780 2HG2 VAL 101 2HG2 VAL 101 6.357 -6.758 -24.478 781 3HG2 VAL 101 3HG2 VAL 101 5.644 -6.257 -26.012 782 H SER 102 H SER 102 4.644 -11.626 -25.211 783 HA SER 102 HA SER 102 7.036 -13.059 -26.178 784 1HB SER 102 1HB SER 102 5.988 -13.938 -24.072 785 2HB SER 102 2HB SER 102 4.531 -14.285 -25.004 786 HG SER 102 HG SER 102 5.608 -15.815 -26.138 787 H SER 103 H SER 103 7.053 -13.745 -28.217 788 HA SER 103 HA SER 103 4.605 -13.471 -29.799 789 1HB SER 103 1HB SER 103 6.121 -13.610 -31.759 790 2HB SER 103 2HB SER 103 6.562 -12.301 -30.664 791 HG SER 103 HG SER 103 8.302 -13.744 -31.464 792 1H THR 301 1H THR 301 -2.479 -8.600 3.490 793 2H THR 301 2H THR 301 -1.533 -8.072 4.821 794 3H THR 301 3H THR 301 -0.813 -8.261 3.274 795 HA THR 301 HA THR 301 -2.228 -6.534 2.411 796 HB THR 301 HB THR 301 -2.984 -6.076 5.304 797 HG1 THR 301 HG1 THR 301 -4.859 -7.121 4.916 798 1HG2 THR 301 1HG2 THR 301 -4.376 -5.072 2.845 799 2HG2 THR 301 2HG2 THR 301 -4.604 -4.567 4.519 800 3HG2 THR 301 3HG2 THR 301 -3.113 -4.158 3.671 801 H GLY 302 H GLY 302 0.319 -6.631 2.456 802 1HA GLY 302 1HA GLY 302 1.234 -4.056 3.117 803 2HA GLY 302 2HA GLY 302 1.769 -5.169 4.365 804 H TRP 303 H TRP 303 1.607 -5.095 0.797 805 HA TRP 303 HA TRP 303 4.419 -6.003 0.751 806 1HB TRP 303 1HB TRP 303 3.784 -7.138 -1.451 807 2HB TRP 303 2HB TRP 303 3.199 -7.890 0.028 808 HD1 TRP 303 HD1 TRP 303 0.592 -8.001 0.399 809 HE1 TRP 303 HE1 TRP 303 -1.428 -7.510 -1.118 810 HE3 TRP 303 HE3 TRP 303 2.993 -5.534 -3.384 811 HZ2 TRP 303 HZ2 TRP 303 -1.936 -6.244 -3.589 812 HZ3 TRP 303 HZ3 TRP 303 1.667 -4.715 -5.286 813 HH2 TRP 303 HH2 TRP 303 -0.747 -5.063 -5.386 814 H GLU 304 H GLU 304 2.922 -3.259 0.368 815 HA GLU 304 HA GLU 304 4.503 -2.512 -1.978 816 1HB GLU 304 1HB GLU 304 2.634 -1.055 -2.768 817 2HB GLU 304 2HB GLU 304 2.296 -2.777 -2.888 818 1HG GLU 304 1HG GLU 304 0.927 -2.692 -0.909 819 2HG GLU 304 2HG GLU 304 1.343 -0.998 -0.656 820 H THR 305 H THR 305 5.549 -0.620 -1.775 821 HA THR 305 HA THR 305 4.878 1.093 0.531 822 HB THR 305 HB THR 305 7.637 0.428 -0.526 823 HG1 THR 305 HG1 THR 305 7.845 -0.626 1.493 824 1HG2 THR 305 1HG2 THR 305 8.393 1.521 1.600 825 2HG2 THR 305 2HG2 THR 305 7.765 2.614 0.367 826 3HG2 THR 305 3HG2 THR 305 6.765 2.180 1.752 827 H TRP 306 H TRP 306 4.355 3.098 -0.027 828 HA TRP 306 HA TRP 306 4.702 4.017 -2.728 829 1HB TRP 306 1HB TRP 306 3.489 5.244 -0.255 830 2HB TRP 306 2HB TRP 306 3.637 6.138 -1.765 831 HD1 TRP 306 HD1 TRP 306 1.690 3.276 -0.157 832 HE1 TRP 306 HE1 TRP 306 -0.331 2.709 -1.647 833 HE3 TRP 306 HE3 TRP 306 2.818 6.195 -4.200 834 HZ2 TRP 306 HZ2 TRP 306 -1.315 3.407 -4.199 835 HZ3 TRP 306 HZ3 TRP 306 1.285 6.188 -6.125 836 HH2 TRP 306 HH2 TRP 306 -0.739 4.821 -6.123 837 H VAL 307 H VAL 307 6.658 4.660 -3.363 838 HA VAL 307 HA VAL 307 8.519 5.900 -1.535 839 HB VAL 307 HB VAL 307 10.006 6.035 -3.541 840 1HG1 VAL 307 1HG1 VAL 307 8.807 3.335 -2.939 841 2HG1 VAL 307 2HG1 VAL 307 10.364 3.612 -3.719 842 3HG1 VAL 307 3HG1 VAL 307 10.110 4.123 -2.051 843 1HG2 VAL 307 1HG2 VAL 307 8.057 6.175 -5.152 844 2HG2 VAL 307 2HG2 VAL 307 9.382 5.108 -5.619 845 3HG2 VAL 307 3HG2 VAL 307 7.895 4.430 -4.956 Start of MODEL 10 1 1H GLY 1 1H GLY 1 14.243 6.762 -45.644 2 2H GLY 1 2H GLY 1 15.401 7.152 -44.474 3 3H GLY 1 3H GLY 1 14.147 6.082 -44.098 4 1HA GLY 1 1HA GLY 1 14.993 4.440 -45.610 5 2HA GLY 1 2HA GLY 1 16.237 5.563 -46.140 6 H SER 2 H SER 2 15.008 4.431 -42.986 7 HA SER 2 HA SER 2 17.612 3.329 -42.344 8 1HB SER 2 1HB SER 2 16.414 5.588 -40.722 9 2HB SER 2 2HB SER 2 17.817 4.632 -40.244 10 HG SER 2 HG SER 2 17.565 6.525 -42.303 11 H HIS 3 H HIS 3 14.659 4.370 -40.624 12 HA HIS 3 HA HIS 3 14.318 1.586 -39.705 13 1HB HIS 3 1HB HIS 3 13.339 2.549 -37.610 14 2HB HIS 3 2HB HIS 3 15.055 2.886 -37.817 15 HD1 HIS 3 HD1 HIS 3 11.950 4.509 -37.021 16 HD2 HIS 3 HD2 HIS 3 15.462 5.620 -38.947 17 HE1 HIS 3 HE1 HIS 3 11.962 7.024 -37.004 18 HE2 HIS 3 HE2 HIS 3 14.131 7.672 -38.110 19 H MET 4 H MET 4 12.272 0.748 -39.727 20 HA MET 4 HA MET 4 10.046 2.494 -40.472 21 1HB MET 4 1HB MET 4 9.320 0.887 -42.220 22 2HB MET 4 2HB MET 4 10.844 1.677 -42.602 23 1HG MET 4 1HG MET 4 12.032 -0.335 -41.770 24 2HG MET 4 2HG MET 4 10.467 -1.121 -41.563 25 1HE MET 4 1HE MET 4 13.352 -0.568 -43.373 26 2HE MET 4 2HE MET 4 13.124 -1.388 -44.918 27 3HE MET 4 3HE MET 4 12.845 0.349 -44.792 28 H GLY 5 H GLY 5 11.032 -0.830 -39.655 29 1HA GLY 5 1HA GLY 5 9.894 -1.438 -37.409 30 2HA GLY 5 2HA GLY 5 8.426 -1.237 -38.353 31 H HIS 6 H HIS 6 10.471 -3.483 -37.164 32 HA HIS 6 HA HIS 6 9.421 -5.534 -38.891 33 1HB HIS 6 1HB HIS 6 12.223 -4.596 -39.123 34 2HB HIS 6 2HB HIS 6 12.001 -6.343 -39.073 35 HD1 HIS 6 HD1 HIS 6 11.698 -3.427 -41.286 36 HD2 HIS 6 HD2 HIS 6 10.381 -7.368 -41.228 37 HE1 HIS 6 HE1 HIS 6 10.953 -3.923 -43.637 38 HE2 HIS 6 HE2 HIS 6 10.246 -6.341 -43.597 39 H GLU 7 H GLU 7 11.854 -4.802 -36.398 40 HA GLU 7 HA GLU 7 11.484 -7.403 -35.171 41 1HB GLU 7 1HB GLU 7 13.705 -6.160 -35.336 42 2HB GLU 7 2HB GLU 7 13.093 -5.103 -34.071 43 1HG GLU 7 1HG GLU 7 14.376 -6.690 -32.948 44 2HG GLU 7 2HG GLU 7 12.711 -7.218 -32.712 45 H LEU 8 H LEU 8 9.860 -7.786 -33.833 46 HA LEU 8 HA LEU 8 8.933 -5.618 -32.056 47 1HB LEU 8 1HB LEU 8 7.403 -7.518 -33.769 48 2HB LEU 8 2HB LEU 8 6.716 -7.092 -32.212 49 HG LEU 8 HG LEU 8 7.109 -4.638 -32.976 50 1HD1 LEU 8 1HD1 LEU 8 8.453 -5.206 -34.947 51 2HD1 LEU 8 2HD1 LEU 8 7.068 -6.049 -35.640 52 3HD1 LEU 8 3HD1 LEU 8 6.999 -4.307 -35.378 53 1HD2 LEU 8 1HD2 LEU 8 4.922 -5.795 -32.655 54 2HD2 LEU 8 2HD2 LEU 8 4.910 -4.558 -33.913 55 3HD2 LEU 8 3HD2 LEU 8 4.980 -6.265 -34.354 56 H ALA 9 H ALA 9 9.729 -6.133 -30.103 57 HA ALA 9 HA ALA 9 8.805 -8.446 -28.739 58 1HB ALA 9 1HB ALA 9 10.619 -9.397 -30.191 59 2HB ALA 9 2HB ALA 9 11.771 -8.428 -29.272 60 3HB ALA 9 3HB ALA 9 10.825 -9.677 -28.463 61 H LYS 10 H LYS 10 10.855 -8.610 -26.755 62 HA LYS 10 HA LYS 10 10.121 -6.664 -24.952 63 1HB LYS 10 1HB LYS 10 12.262 -8.674 -25.147 64 2HB LYS 10 2HB LYS 10 12.631 -7.337 -24.066 65 1HG LYS 10 1HG LYS 10 10.404 -7.768 -22.966 66 2HG LYS 10 2HG LYS 10 10.324 -9.257 -23.912 67 1HD LYS 10 1HD LYS 10 12.162 -10.191 -22.819 68 2HD LYS 10 2HD LYS 10 12.720 -8.627 -22.223 69 1HE LYS 10 1HE LYS 10 10.696 -8.524 -20.783 70 2HE LYS 10 2HE LYS 10 10.288 -10.157 -21.307 71 1HZ LYS 10 1HZ LYS 10 12.778 -9.381 -19.884 72 2HZ LYS 10 2HZ LYS 10 11.445 -10.150 -19.180 73 3HZ LYS 10 3HZ LYS 10 12.357 -10.949 -20.359 74 H GLN 11 H GLN 11 10.366 -4.540 -24.977 75 HA GLN 11 HA GLN 11 12.766 -3.367 -26.223 76 1HB GLN 11 1HB GLN 11 11.442 -1.299 -26.406 77 2HB GLN 11 2HB GLN 11 10.661 -2.646 -27.224 78 1HG GLN 11 1HG GLN 11 9.651 -2.684 -24.621 79 2HG GLN 11 2HG GLN 11 9.692 -0.985 -25.081 80 1HE2 GLN 11 2HE2 GLN 11 9.038 -3.964 -26.896 81 2HE2 GLN 11 1HE2 GLN 11 7.488 -3.472 -27.480 82 H GLU 12 H GLU 12 13.251 -1.087 -25.175 83 HA GLU 12 HA GLU 12 12.961 -1.172 -22.264 84 1HB GLU 12 1HB GLU 12 15.103 -2.329 -22.946 85 2HB GLU 12 2HB GLU 12 15.659 -0.784 -23.579 86 1HG GLU 12 1HG GLU 12 14.691 -0.554 -20.855 87 2HG GLU 12 2HG GLU 12 15.982 -1.744 -21.000 88 H ILE 13 H ILE 13 11.857 0.685 -22.018 89 HA ILE 13 HA ILE 13 12.880 3.121 -23.335 90 HB ILE 13 HB ILE 13 10.644 4.104 -22.769 91 1HG1 ILE 13 1HG1 ILE 13 9.930 1.223 -22.163 92 2HG1 ILE 13 2HG1 ILE 13 10.071 2.501 -20.960 93 1HG2 ILE 13 1HG2 ILE 13 10.695 1.670 -24.542 94 2HG2 ILE 13 2HG2 ILE 13 9.467 2.934 -24.585 95 3HG2 ILE 13 3HG2 ILE 13 11.139 3.314 -24.998 96 1HD1 ILE 13 1HD1 ILE 13 8.286 3.711 -22.362 97 2HD1 ILE 13 2HD1 ILE 13 7.998 2.125 -23.079 98 3HD1 ILE 13 3HD1 ILE 13 7.794 2.358 -21.342 99 H ARG 14 H ARG 14 12.689 5.156 -22.131 100 HA ARG 14 HA ARG 14 13.290 4.780 -19.261 101 1HB ARG 14 1HB ARG 14 15.107 5.587 -20.958 102 2HB ARG 14 2HB ARG 14 14.268 7.128 -20.852 103 1HG ARG 14 1HG ARG 14 14.540 6.828 -18.298 104 2HG ARG 14 2HG ARG 14 15.774 5.650 -18.737 105 1HD ARG 14 1HD ARG 14 15.710 8.570 -19.486 106 2HD ARG 14 2HD ARG 14 16.798 7.798 -18.345 107 HE ARG 14 HE ARG 14 17.988 6.850 -20.112 108 1HH1 ARG 14 1HH1 ARG 14 15.295 8.755 -21.400 109 2HH1 ARG 14 2HH1 ARG 14 15.967 8.794 -22.990 110 1HH2 ARG 14 1HH2 ARG 14 18.803 6.936 -22.206 111 2HH2 ARG 14 2HH2 ARG 14 17.931 7.774 -23.446 112 H VAL 15 H VAL 15 12.645 6.415 -17.786 113 HA VAL 15 HA VAL 15 10.763 8.435 -18.742 114 HB VAL 15 HB VAL 15 9.176 7.858 -16.876 115 1HG1 VAL 15 1HG1 VAL 15 8.721 7.304 -19.227 116 2HG1 VAL 15 2HG1 VAL 15 9.515 5.746 -19.001 117 3HG1 VAL 15 3HG1 VAL 15 8.034 6.117 -18.119 118 1HG2 VAL 15 1HG2 VAL 15 10.753 6.464 -15.589 119 2HG2 VAL 15 2HG2 VAL 15 9.232 5.639 -15.924 120 3HG2 VAL 15 3HG2 VAL 15 10.674 5.242 -16.858 121 H ARG 16 H ARG 16 10.645 10.259 -17.434 122 HA ARG 16 HA ARG 16 12.537 10.325 -15.167 123 1HB ARG 16 1HB ARG 16 13.150 11.643 -17.236 124 2HB ARG 16 2HB ARG 16 11.760 12.668 -16.904 125 1HG ARG 16 1HG ARG 16 12.721 13.602 -15.037 126 2HG ARG 16 2HG ARG 16 13.791 12.225 -14.769 127 1HD ARG 16 1HD ARG 16 15.230 13.877 -15.532 128 2HD ARG 16 2HD ARG 16 14.909 12.933 -16.980 129 HE ARG 16 HE ARG 16 14.001 15.642 -16.401 130 1HH1 ARG 16 1HH1 ARG 16 13.825 12.908 -18.631 131 2HH1 ARG 16 2HH1 ARG 16 13.212 13.877 -19.921 132 1HH2 ARG 16 1HH2 ARG 16 13.193 16.856 -18.121 133 2HH2 ARG 16 2HH2 ARG 16 12.854 16.093 -19.638 134 H VAL 17 H VAL 17 11.795 10.935 -13.233 135 HA VAL 17 HA VAL 17 9.124 12.190 -13.082 136 HB VAL 17 HB VAL 17 10.237 10.273 -11.029 137 1HG1 VAL 17 1HG1 VAL 17 8.541 11.921 -10.277 138 2HG1 VAL 17 2HG1 VAL 17 7.419 11.253 -11.463 139 3HG1 VAL 17 3HG1 VAL 17 8.005 10.247 -10.140 140 1HG2 VAL 17 1HG2 VAL 17 9.884 9.109 -13.172 141 2HG2 VAL 17 2HG2 VAL 17 8.755 8.573 -11.927 142 3HG2 VAL 17 3HG2 VAL 17 8.214 9.679 -13.191 143 H GLU 18 H GLU 18 9.079 14.088 -12.059 144 HA GLU 18 HA GLU 18 11.447 14.965 -10.599 145 1HB GLU 18 1HB GLU 18 8.976 16.551 -11.317 146 2HB GLU 18 2HB GLU 18 10.512 17.193 -10.751 147 1HG GLU 18 1HG GLU 18 10.706 17.572 -12.987 148 2HG GLU 18 2HG GLU 18 11.445 15.976 -12.874 149 H LYS 19 H LYS 19 11.561 14.800 -8.460 150 HA LYS 19 HA LYS 19 9.332 14.026 -6.872 151 1HB LYS 19 1HB LYS 19 11.949 13.676 -6.566 152 2HB LYS 19 2HB LYS 19 11.792 15.152 -5.621 153 1HG LYS 19 1HG LYS 19 11.498 13.570 -4.000 154 2HG LYS 19 2HG LYS 19 9.825 13.854 -4.483 155 1HD LYS 19 1HD LYS 19 10.058 11.513 -4.385 156 2HD LYS 19 2HD LYS 19 10.125 11.918 -6.102 157 1HE LYS 19 1HE LYS 19 11.868 10.393 -5.812 158 2HE LYS 19 2HE LYS 19 12.669 11.964 -5.794 159 1HZ LYS 19 1HZ LYS 19 12.630 11.873 -3.354 160 2HZ LYS 19 2HZ LYS 19 11.957 10.321 -3.424 161 3HZ LYS 19 3HZ LYS 19 13.513 10.597 -4.026 162 H ASP 20 H ASP 20 7.791 15.304 -6.096 163 HA ASP 20 HA ASP 20 8.285 17.715 -4.730 164 1HB ASP 20 1HB ASP 20 8.642 18.435 -7.148 165 2HB ASP 20 2HB ASP 20 6.919 18.157 -7.387 166 HA PRO 21 HA PRO 21 7.925 17.013 -2.889 167 1HB PRO 21 1HB PRO 21 6.549 15.574 -0.866 168 2HB PRO 21 2HB PRO 21 6.805 17.316 -0.951 169 1HG PRO 21 1HG PRO 21 4.345 16.011 -1.156 170 2HG PRO 21 2HG PRO 21 4.673 17.691 -1.611 171 1HD PRO 21 1HD PRO 21 4.505 15.255 -3.332 172 2HD PRO 21 2HD PRO 21 3.988 16.921 -3.674 173 H GLU 22 H GLU 22 6.101 14.249 -4.010 174 HA GLU 22 HA GLU 22 8.481 12.572 -3.566 175 1HB GLU 22 1HB GLU 22 5.604 11.826 -3.029 176 2HB GLU 22 2HB GLU 22 6.906 10.648 -3.137 177 1HG GLU 22 1HG GLU 22 7.026 12.952 -1.226 178 2HG GLU 22 2HG GLU 22 6.202 11.447 -0.819 179 H LEU 23 H LEU 23 7.979 10.341 -4.807 180 HA LEU 23 HA LEU 23 8.030 10.998 -7.553 181 1HB LEU 23 1HB LEU 23 7.709 8.322 -6.198 182 2HB LEU 23 2HB LEU 23 8.018 8.544 -7.910 183 HG LEU 23 HG LEU 23 10.058 10.000 -6.714 184 1HD1 LEU 23 1HD1 LEU 23 9.296 8.845 -4.558 185 2HD1 LEU 23 2HD1 LEU 23 9.980 7.379 -5.261 186 3HD1 LEU 23 3HD1 LEU 23 11.010 8.781 -4.969 187 1HD2 LEU 23 1HD2 LEU 23 10.034 7.178 -7.773 188 2HD2 LEU 23 2HD2 LEU 23 10.414 8.657 -8.655 189 3HD2 LEU 23 3HD2 LEU 23 11.505 8.075 -7.397 190 H GLY 24 H GLY 24 5.622 9.131 -5.678 191 1HA GLY 24 1HA GLY 24 3.268 9.614 -5.904 192 2HA GLY 24 2HA GLY 24 3.567 10.093 -7.564 193 H PHE 25 H PHE 25 4.857 7.144 -6.107 194 HA PHE 25 HA PHE 25 2.760 5.473 -7.089 195 1HB PHE 25 1HB PHE 25 3.970 4.311 -8.846 196 2HB PHE 25 2HB PHE 25 3.874 6.025 -9.227 197 HD1 PHE 25 HD1 PHE 25 6.101 3.323 -8.090 198 HD2 PHE 25 HD2 PHE 25 5.832 7.354 -9.430 199 HE1 PHE 25 HE1 PHE 25 8.541 3.380 -8.399 200 HE2 PHE 25 HE2 PHE 25 8.272 7.417 -9.739 201 HZ PHE 25 HZ PHE 25 9.629 5.429 -9.225 202 H SER 26 H SER 26 3.037 3.256 -6.549 203 HA SER 26 HA SER 26 5.028 2.858 -4.425 204 1HB SER 26 1HB SER 26 3.458 0.879 -3.865 205 2HB SER 26 2HB SER 26 2.893 2.513 -3.514 206 HG SER 26 HG SER 26 1.520 0.867 -4.785 207 H ILE 27 H ILE 27 6.201 0.925 -4.269 208 HA ILE 27 HA ILE 27 6.402 -0.614 -6.782 209 HB ILE 27 HB ILE 27 8.778 -1.047 -6.142 210 1HG1 ILE 27 1HG1 ILE 27 8.450 1.255 -4.219 211 2HG1 ILE 27 2HG1 ILE 27 8.358 -0.426 -3.699 212 1HG2 ILE 27 1HG2 ILE 27 8.017 1.840 -6.554 213 2HG2 ILE 27 2HG2 ILE 27 9.611 1.147 -6.855 214 3HG2 ILE 27 3HG2 ILE 27 8.226 0.624 -7.815 215 1HD1 ILE 27 1HD1 ILE 27 10.724 0.369 -5.285 216 2HD1 ILE 27 2HD1 ILE 27 10.608 0.973 -3.632 217 3HD1 ILE 27 3HD1 ILE 27 10.583 -0.763 -3.940 218 H SER 28 H SER 28 6.602 -2.847 -6.639 219 HA SER 28 HA SER 28 6.395 -4.028 -3.948 220 1HB SER 28 1HB SER 28 4.736 -5.645 -4.826 221 2HB SER 28 2HB SER 28 4.145 -3.985 -4.900 222 HG SER 28 HG SER 28 5.104 -5.606 -7.011 223 H GLY 29 H GLY 29 7.039 -6.271 -3.824 224 1HA GLY 29 1HA GLY 29 8.022 -8.220 -4.866 225 2HA GLY 29 2HA GLY 29 8.752 -7.157 -6.059 226 H GLY 30 H GLY 30 10.785 -8.143 -5.594 227 1HA GLY 30 1HA GLY 30 12.870 -7.322 -4.646 228 2HA GLY 30 2HA GLY 30 12.017 -7.072 -3.130 229 H VAL 31 H VAL 31 14.449 -8.609 -3.732 230 HA VAL 31 HA VAL 31 13.740 -11.387 -3.458 231 HB VAL 31 HB VAL 31 16.445 -10.069 -3.138 232 1HG1 VAL 31 1HG1 VAL 31 16.325 -12.329 -2.194 233 2HG1 VAL 31 2HG1 VAL 31 15.735 -12.936 -3.741 234 3HG1 VAL 31 3HG1 VAL 31 17.362 -12.265 -3.618 235 1HG2 VAL 31 1HG2 VAL 31 14.921 -10.972 -5.536 236 2HG2 VAL 31 2HG2 VAL 31 15.915 -9.533 -5.311 237 3HG2 VAL 31 3HG2 VAL 31 16.678 -11.108 -5.519 238 H GLY 32 H GLY 32 12.704 -11.832 -1.578 239 1HA GLY 32 1HA GLY 32 12.895 -12.595 0.648 240 2HA GLY 32 2HA GLY 32 14.268 -11.526 0.874 241 H GLY 33 H GLY 33 11.856 -9.701 -0.596 242 1HA GLY 33 1HA GLY 33 11.238 -8.426 1.942 243 2HA GLY 33 2HA GLY 33 10.852 -7.812 0.343 244 H ARG 34 H ARG 34 8.742 -7.299 1.083 245 HA ARG 34 HA ARG 34 6.970 -9.154 2.225 246 1HB ARG 34 1HB ARG 34 6.545 -6.595 0.701 247 2HB ARG 34 2HB ARG 34 5.191 -7.550 1.293 248 1HG ARG 34 1HG ARG 34 6.873 -7.321 3.490 249 2HG ARG 34 2HG ARG 34 6.953 -5.739 2.717 250 1HD ARG 34 1HD ARG 34 4.810 -5.237 3.230 251 2HD ARG 34 2HD ARG 34 4.252 -6.890 2.975 252 HE ARG 34 HE ARG 34 5.852 -6.550 5.344 253 1HH1 ARG 34 1HH1 ARG 34 2.589 -6.398 4.051 254 2HH1 ARG 34 2HH1 ARG 34 1.844 -6.635 5.597 255 1HH2 ARG 34 1HH2 ARG 34 4.852 -6.860 7.356 256 2HH2 ARG 34 2HH2 ARG 34 3.123 -6.895 7.464 257 H GLY 35 H GLY 35 8.002 -8.763 -1.077 258 1HA GLY 35 1HA GLY 35 7.664 -10.402 -2.734 259 2HA GLY 35 2HA GLY 35 6.289 -11.011 -1.826 260 H ASN 36 H ASN 36 6.260 -10.583 -4.598 261 HA ASN 36 HA ASN 36 4.443 -8.269 -4.851 262 1HB ASN 36 1HB ASN 36 5.009 -8.262 -7.253 263 2HB ASN 36 2HB ASN 36 6.438 -8.041 -6.250 264 1HD2 ASN 36 2HD2 ASN 36 7.759 -9.957 -5.845 265 2HD2 ASN 36 1HD2 ASN 36 7.883 -11.156 -7.082 266 HA PRO 37 HA PRO 37 1.420 -11.439 -5.771 267 1HB PRO 37 1HB PRO 37 -0.751 -9.936 -6.044 268 2HB PRO 37 2HB PRO 37 0.071 -10.064 -4.484 269 1HG PRO 37 1HG PRO 37 0.145 -7.854 -6.492 270 2HG PRO 37 2HG PRO 37 0.106 -7.762 -4.722 271 1HD PRO 37 1HD PRO 37 2.390 -7.545 -6.316 272 2HD PRO 37 2HD PRO 37 2.371 -7.878 -4.574 273 H PHE 38 H PHE 38 2.881 -9.735 -8.110 274 HA PHE 38 HA PHE 38 0.867 -10.241 -10.180 275 1HB PHE 38 1HB PHE 38 3.434 -8.654 -10.190 276 2HB PHE 38 2HB PHE 38 2.507 -8.984 -11.651 277 HD1 PHE 38 HD1 PHE 38 2.331 -7.377 -8.321 278 HD2 PHE 38 HD2 PHE 38 0.645 -7.679 -12.218 279 HE1 PHE 38 HE1 PHE 38 0.915 -5.419 -7.857 280 HE2 PHE 38 HE2 PHE 38 -0.773 -5.718 -11.760 281 HZ PHE 38 HZ PHE 38 -0.637 -4.587 -9.578 282 H ARG 39 H ARG 39 4.203 -11.054 -9.306 283 HA ARG 39 HA ARG 39 4.062 -13.318 -11.196 284 1HB ARG 39 1HB ARG 39 6.491 -11.646 -10.521 285 2HB ARG 39 2HB ARG 39 6.494 -13.076 -11.545 286 1HG ARG 39 1HG ARG 39 4.518 -11.409 -12.615 287 2HG ARG 39 2HG ARG 39 5.858 -10.342 -12.205 288 1HD ARG 39 1HD ARG 39 6.897 -10.978 -14.059 289 2HD ARG 39 2HD ARG 39 6.975 -12.626 -13.443 290 HE ARG 39 HE ARG 39 5.151 -11.583 -15.428 291 1HH1 ARG 39 1HH1 ARG 39 5.761 -14.194 -13.159 292 2HH1 ARG 39 2HH1 ARG 39 4.739 -15.313 -13.998 293 1HH2 ARG 39 1HH2 ARG 39 3.815 -13.067 -16.506 294 2HH2 ARG 39 2HH2 ARG 39 3.640 -14.676 -15.888 295 HA PRO 40 HA PRO 40 5.005 -15.558 -7.442 296 1HB PRO 40 1HB PRO 40 4.979 -18.056 -8.374 297 2HB PRO 40 2HB PRO 40 3.505 -17.084 -8.315 298 1HG PRO 40 1HG PRO 40 5.251 -17.738 -10.644 299 2HG PRO 40 2HG PRO 40 3.485 -17.616 -10.564 300 1HD PRO 40 1HD PRO 40 5.207 -15.631 -11.497 301 2HD PRO 40 2HD PRO 40 3.524 -15.384 -10.994 302 H ASP 41 H ASP 41 6.861 -16.528 -10.343 303 HA ASP 41 HA ASP 41 9.084 -17.344 -8.648 304 1HB ASP 41 1HB ASP 41 10.093 -18.128 -10.799 305 2HB ASP 41 2HB ASP 41 8.538 -18.865 -10.418 306 H ASP 42 H ASP 42 8.151 -14.459 -10.198 307 HA ASP 42 HA ASP 42 10.909 -13.621 -10.679 308 1HB ASP 42 1HB ASP 42 8.926 -13.144 -12.278 309 2HB ASP 42 2HB ASP 42 8.478 -11.903 -11.112 310 H ASP 43 H ASP 43 12.003 -12.699 -9.080 311 HA ASP 43 HA ASP 43 10.515 -11.414 -6.896 312 1HB ASP 43 1HB ASP 43 12.587 -11.740 -5.575 313 2HB ASP 43 2HB ASP 43 11.934 -13.254 -6.192 314 H GLY 44 H GLY 44 10.876 -9.973 -9.308 315 1HA GLY 44 1HA GLY 44 13.052 -8.089 -8.787 316 2HA GLY 44 2HA GLY 44 12.019 -8.117 -10.209 317 H ILE 45 H ILE 45 11.520 -5.910 -10.092 318 HA ILE 45 HA ILE 45 9.726 -5.190 -7.860 319 HB ILE 45 HB ILE 45 11.445 -3.182 -9.316 320 1HG1 ILE 45 1HG1 ILE 45 12.949 -4.720 -8.153 321 2HG1 ILE 45 2HG1 ILE 45 12.905 -3.170 -7.319 322 1HG2 ILE 45 1HG2 ILE 45 9.397 -2.376 -8.208 323 2HG2 ILE 45 2HG2 ILE 45 9.988 -3.028 -6.681 324 3HG2 ILE 45 3HG2 ILE 45 10.864 -1.723 -7.480 325 1HD1 ILE 45 1HD1 ILE 45 10.967 -4.508 -5.996 326 2HD1 ILE 45 2HD1 ILE 45 12.062 -5.826 -6.416 327 3HD1 ILE 45 3HD1 ILE 45 12.657 -4.443 -5.497 328 H PHE 46 H PHE 46 7.829 -4.167 -8.383 329 HA PHE 46 HA PHE 46 7.385 -3.438 -11.190 330 1HB PHE 46 1HB PHE 46 5.489 -5.153 -9.567 331 2HB PHE 46 2HB PHE 46 5.230 -4.597 -11.217 332 HD1 PHE 46 HD1 PHE 46 7.432 -6.710 -9.114 333 HD2 PHE 46 HD2 PHE 46 6.041 -5.819 -13.037 334 HE1 PHE 46 HE1 PHE 46 8.548 -8.731 -9.965 335 HE2 PHE 46 HE2 PHE 46 7.152 -7.840 -13.893 336 HZ PHE 46 HZ PHE 46 8.408 -9.298 -12.357 337 H VAL 47 H VAL 47 5.709 -1.904 -11.531 338 HA VAL 47 HA VAL 47 5.224 -0.199 -9.212 339 HB VAL 47 HB VAL 47 4.487 0.347 -12.093 340 1HG1 VAL 47 1HG1 VAL 47 3.321 1.721 -10.433 341 2HG1 VAL 47 2HG1 VAL 47 4.873 2.211 -9.751 342 3HG1 VAL 47 3HG1 VAL 47 4.445 2.679 -11.397 343 1HG2 VAL 47 1HG2 VAL 47 6.891 -0.056 -11.913 344 2HG2 VAL 47 2HG2 VAL 47 6.556 1.645 -12.237 345 3HG2 VAL 47 3HG2 VAL 47 7.000 1.127 -10.610 346 H THR 48 H THR 48 3.752 -1.848 -8.310 347 HA THR 48 HA THR 48 1.481 -2.936 -9.172 348 HB THR 48 HB THR 48 2.239 -3.163 -6.888 349 HG1 THR 48 HG1 THR 48 -0.401 -2.137 -6.938 350 1HG2 THR 48 1HG2 THR 48 1.022 -0.488 -6.273 351 2HG2 THR 48 2HG2 THR 48 1.892 -1.565 -5.181 352 3HG2 THR 48 3HG2 THR 48 2.753 -0.748 -6.484 353 H ARG 49 H ARG 49 1.405 0.490 -7.986 354 HA ARG 49 HA ARG 49 -0.645 1.109 -9.904 355 1HB ARG 49 1HB ARG 49 -2.331 1.813 -8.192 356 2HB ARG 49 2HB ARG 49 -2.095 0.075 -8.316 357 1HG ARG 49 1HG ARG 49 -0.936 -0.031 -6.290 358 2HG ARG 49 2HG ARG 49 -0.643 1.708 -6.266 359 1HD ARG 49 1HD ARG 49 -3.392 0.493 -6.099 360 2HD ARG 49 2HD ARG 49 -2.416 0.868 -4.679 361 HE ARG 49 HE ARG 49 -2.671 3.119 -6.405 362 1HH1 ARG 49 1HH1 ARG 49 -4.392 1.299 -3.940 363 2HH1 ARG 49 2HH1 ARG 49 -5.362 2.650 -3.459 364 1HH2 ARG 49 1HH2 ARG 49 -3.958 4.873 -5.755 365 2HH2 ARG 49 2HH2 ARG 49 -5.116 4.669 -4.485 366 H VAL 50 H VAL 50 -1.562 3.371 -9.484 367 HA VAL 50 HA VAL 50 0.526 5.135 -8.368 368 HB VAL 50 HB VAL 50 -1.075 5.755 -10.860 369 1HG1 VAL 50 1HG1 VAL 50 -0.150 7.639 -9.460 370 2HG1 VAL 50 2HG1 VAL 50 1.458 7.051 -9.883 371 3HG1 VAL 50 3HG1 VAL 50 0.364 7.611 -11.147 372 1HG2 VAL 50 1HG2 VAL 50 0.415 3.833 -11.258 373 2HG2 VAL 50 2HG2 VAL 50 0.902 5.264 -12.169 374 3HG2 VAL 50 3HG2 VAL 50 1.785 4.803 -10.713 375 H GLN 51 H GLN 51 -0.219 7.079 -7.399 376 HA GLN 51 HA GLN 51 -3.094 7.057 -6.781 377 1HB GLN 51 1HB GLN 51 -0.676 7.893 -5.278 378 2HB GLN 51 2HB GLN 51 -2.148 8.814 -4.998 379 1HG GLN 51 1HG GLN 51 -2.425 5.882 -4.935 380 2HG GLN 51 2HG GLN 51 -1.480 6.605 -3.633 381 1HE2 GLN 51 2HE2 GLN 51 -2.833 6.433 -1.952 382 2HE2 GLN 51 1HE2 GLN 51 -4.416 7.122 -1.884 383 HA PRO 52 HA PRO 52 -2.674 11.593 -8.043 384 1HB PRO 52 1HB PRO 52 -0.353 12.878 -8.263 385 2HB PRO 52 2HB PRO 52 -1.060 12.554 -6.674 386 1HG PRO 52 1HG PRO 52 1.130 11.091 -8.104 387 2HG PRO 52 2HG PRO 52 1.041 11.585 -6.402 388 1HD PRO 52 1HD PRO 52 0.445 9.055 -7.295 389 2HD PRO 52 2HD PRO 52 -0.222 9.771 -5.815 390 H GLU 53 H GLU 53 -3.349 11.478 -10.120 391 HA GLU 53 HA GLU 53 -1.757 10.307 -12.181 392 1HB GLU 53 1HB GLU 53 -3.628 10.983 -13.674 393 2HB GLU 53 2HB GLU 53 -4.153 10.061 -12.272 394 1HG GLU 53 1HG GLU 53 -4.158 12.964 -11.891 395 2HG GLU 53 2HG GLU 53 -5.277 12.377 -13.120 396 H GLY 54 H GLY 54 0.080 11.875 -11.677 397 1HA GLY 54 1HA GLY 54 -0.014 14.005 -13.667 398 2HA GLY 54 2HA GLY 54 0.305 14.499 -12.014 399 HA PRO 55 HA PRO 55 4.629 13.794 -12.440 400 1HB PRO 55 1HB PRO 55 5.323 12.039 -10.422 401 2HB PRO 55 2HB PRO 55 5.088 13.777 -10.214 402 1HG PRO 55 1HG PRO 55 3.202 11.527 -9.652 403 2HG PRO 55 2HG PRO 55 3.509 12.998 -8.710 404 1HD PRO 55 1HD PRO 55 1.339 12.760 -10.267 405 2HD PRO 55 2HD PRO 55 2.189 14.310 -10.090 406 H ALA 56 H ALA 56 4.005 10.513 -11.192 407 HA ALA 56 HA ALA 56 5.128 9.460 -13.697 408 1HB ALA 56 1HB ALA 56 6.078 9.054 -11.241 409 2HB ALA 56 2HB ALA 56 4.913 7.731 -11.299 410 3HB ALA 56 3HB ALA 56 6.190 7.837 -12.511 411 H SER 57 H SER 57 2.555 10.133 -13.963 412 HA SER 57 HA SER 57 0.976 7.692 -13.570 413 1HB SER 57 1HB SER 57 0.102 9.984 -12.860 414 2HB SER 57 2HB SER 57 -0.045 10.350 -14.577 415 HG SER 57 HG SER 57 -1.975 9.510 -14.129 416 H LYS 58 H LYS 58 1.402 10.172 -16.096 417 HA LYS 58 HA LYS 58 0.572 8.385 -18.170 418 1HB LYS 58 1HB LYS 58 0.305 10.904 -18.167 419 2HB LYS 58 2HB LYS 58 2.027 11.002 -18.516 420 1HG LYS 58 1HG LYS 58 1.730 10.519 -20.672 421 2HG LYS 58 2HG LYS 58 0.639 9.184 -20.309 422 1HD LYS 58 1HD LYS 58 -0.654 10.713 -21.543 423 2HD LYS 58 2HD LYS 58 -1.131 10.968 -19.863 424 1HE LYS 58 1HE LYS 58 0.347 12.899 -19.724 425 2HE LYS 58 2HE LYS 58 0.872 12.632 -21.387 426 1HZ LYS 58 1HZ LYS 58 -1.911 13.253 -20.557 427 2HZ LYS 58 2HZ LYS 58 -0.821 14.366 -21.215 428 3HZ LYS 58 3HZ LYS 58 -1.364 13.062 -22.146 429 H LEU 59 H LEU 59 3.531 8.619 -16.504 430 HA LEU 59 HA LEU 59 5.151 7.910 -18.823 431 1HB LEU 59 1HB LEU 59 6.049 8.071 -15.954 432 2HB LEU 59 2HB LEU 59 7.044 8.138 -17.397 433 HG LEU 59 HG LEU 59 5.038 10.258 -16.625 434 1HD1 LEU 59 1HD1 LEU 59 7.016 9.965 -15.064 435 2HD1 LEU 59 2HD1 LEU 59 8.027 10.456 -16.422 436 3HD1 LEU 59 3HD1 LEU 59 6.808 11.560 -15.787 437 1HD2 LEU 59 1HD2 LEU 59 5.521 10.078 -19.033 438 2HD2 LEU 59 2HD2 LEU 59 6.120 11.584 -18.337 439 3HD2 LEU 59 3HD2 LEU 59 7.239 10.266 -18.685 440 H LEU 60 H LEU 60 4.581 6.565 -15.566 441 HA LEU 60 HA LEU 60 5.384 3.929 -16.525 442 1HB LEU 60 1HB LEU 60 4.673 4.887 -13.751 443 2HB LEU 60 2HB LEU 60 5.267 3.284 -14.147 444 HG LEU 60 HG LEU 60 6.906 5.669 -14.896 445 1HD1 LEU 60 1HD1 LEU 60 6.155 5.827 -12.467 446 2HD1 LEU 60 2HD1 LEU 60 7.118 4.374 -12.197 447 3HD1 LEU 60 3HD1 LEU 60 7.891 5.850 -12.777 448 1HD2 LEU 60 1HD2 LEU 60 7.527 3.429 -15.685 449 2HD2 LEU 60 2HD2 LEU 60 8.733 4.098 -14.586 450 3HD2 LEU 60 3HD2 LEU 60 7.604 2.870 -14.014 451 H GLN 61 H GLN 61 4.073 2.140 -16.545 452 HA GLN 61 HA GLN 61 1.186 2.648 -16.213 453 1HB GLN 61 1HB GLN 61 0.829 0.843 -17.854 454 2HB GLN 61 2HB GLN 61 1.785 2.157 -18.526 455 1HG GLN 61 1HG GLN 61 3.411 0.754 -19.056 456 2HG GLN 61 2HG GLN 61 3.560 0.246 -17.377 457 1HE2 GLN 61 2HE2 GLN 61 4.057 -1.861 -18.049 458 2HE2 GLN 61 1HE2 GLN 61 2.838 -2.938 -18.633 459 HA PRO 62 HA PRO 62 1.167 -0.237 -12.828 460 1HB PRO 62 1HB PRO 62 -1.467 -1.154 -13.850 461 2HB PRO 62 2HB PRO 62 -1.027 -0.545 -12.252 462 1HG PRO 62 1HG PRO 62 -2.419 0.960 -13.954 463 2HG PRO 62 2HG PRO 62 -1.174 1.672 -12.910 464 1HD PRO 62 1HD PRO 62 -1.058 1.003 -15.823 465 2HD PRO 62 2HD PRO 62 -0.380 2.398 -14.957 466 H GLY 63 H GLY 63 2.313 -2.060 -12.795 467 1HA GLY 63 1HA GLY 63 2.408 -4.435 -13.073 468 2HA GLY 63 2HA GLY 63 1.510 -4.264 -14.569 469 H ASP 64 H ASP 64 4.103 -2.020 -14.165 470 HA ASP 64 HA ASP 64 5.595 -3.449 -16.238 471 1HB ASP 64 1HB ASP 64 4.975 -0.910 -16.267 472 2HB ASP 64 2HB ASP 64 6.362 -0.743 -15.193 473 H LYS 65 H LYS 65 7.782 -3.978 -16.050 474 HA LYS 65 HA LYS 65 8.677 -4.374 -13.293 475 1HB LYS 65 1HB LYS 65 8.565 -6.259 -14.998 476 2HB LYS 65 2HB LYS 65 9.925 -5.488 -15.801 477 1HG LYS 65 1HG LYS 65 11.296 -5.773 -13.829 478 2HG LYS 65 2HG LYS 65 9.928 -6.460 -12.951 479 1HD LYS 65 1HD LYS 65 9.843 -8.319 -14.543 480 2HD LYS 65 2HD LYS 65 11.208 -7.630 -15.423 481 1HE LYS 65 1HE LYS 65 11.336 -8.401 -12.516 482 2HE LYS 65 2HE LYS 65 11.760 -9.501 -13.825 483 1HZ LYS 65 1HZ LYS 65 13.409 -7.823 -14.557 484 2HZ LYS 65 2HZ LYS 65 13.071 -6.922 -13.167 485 3HZ LYS 65 3HZ LYS 65 13.739 -8.470 -13.030 486 H ILE 66 H ILE 66 10.470 -3.442 -12.448 487 HA ILE 66 HA ILE 66 11.794 -1.398 -14.070 488 HB ILE 66 HB ILE 66 12.093 -1.856 -11.098 489 1HG1 ILE 66 1HG1 ILE 66 10.299 0.180 -12.426 490 2HG1 ILE 66 2HG1 ILE 66 9.715 -1.385 -11.870 491 1HG2 ILE 66 1HG2 ILE 66 12.755 0.464 -12.904 492 2HG2 ILE 66 2HG2 ILE 66 12.792 0.539 -11.142 493 3HG2 ILE 66 3HG2 ILE 66 13.883 -0.548 -12.002 494 1HD1 ILE 66 1HD1 ILE 66 10.731 -0.688 -9.601 495 2HD1 ILE 66 2HD1 ILE 66 10.692 0.941 -10.277 496 3HD1 ILE 66 3HD1 ILE 66 9.199 0.017 -10.114 497 H ILE 67 H ILE 67 13.742 -1.728 -14.908 498 HA ILE 67 HA ILE 67 15.290 -4.061 -14.023 499 HB ILE 67 HB ILE 67 15.808 -2.370 -16.471 500 1HG1 ILE 67 1HG1 ILE 67 13.527 -3.268 -16.603 501 2HG1 ILE 67 2HG1 ILE 67 14.584 -4.073 -17.760 502 1HG2 ILE 67 1HG2 ILE 67 16.647 -5.158 -15.688 503 2HG2 ILE 67 2HG2 ILE 67 16.950 -4.418 -17.260 504 3HG2 ILE 67 3HG2 ILE 67 17.680 -3.734 -15.807 505 1HD1 ILE 67 1HD1 ILE 67 14.741 -5.642 -15.485 506 2HD1 ILE 67 2HD1 ILE 67 13.043 -5.176 -15.587 507 3HD1 ILE 67 3HD1 ILE 67 13.820 -5.985 -16.949 508 H GLN 68 H GLN 68 15.681 -0.563 -14.610 509 HA GLN 68 HA GLN 68 17.935 -0.576 -12.752 510 1HB GLN 68 1HB GLN 68 18.100 0.117 -15.652 511 2HB GLN 68 2HB GLN 68 19.089 1.017 -14.509 512 1HG GLN 68 1HG GLN 68 20.171 -0.991 -13.773 513 2HG GLN 68 2HG GLN 68 19.083 -1.982 -14.745 514 1HE2 GLN 68 2HE2 GLN 68 20.952 0.960 -15.411 515 2HE2 GLN 68 1HE2 GLN 68 21.784 0.326 -16.786 516 H ALA 69 H ALA 69 18.442 1.434 -11.847 517 HA ALA 69 HA ALA 69 16.667 3.683 -12.458 518 1HB ALA 69 1HB ALA 69 15.787 2.234 -10.534 519 2HB ALA 69 2HB ALA 69 17.138 2.885 -9.604 520 3HB ALA 69 3HB ALA 69 15.915 3.972 -10.264 521 H ASN 70 H ASN 70 17.831 5.476 -12.706 522 HA ASN 70 HA ASN 70 19.633 6.892 -12.782 523 1HB ASN 70 1HB ASN 70 19.529 6.224 -9.836 524 2HB ASN 70 2HB ASN 70 20.427 7.577 -10.519 525 1HD2 ASN 70 2HD2 ASN 70 19.298 9.217 -9.620 526 2HD2 ASN 70 1HD2 ASN 70 17.634 9.542 -9.949 527 H GLY 71 H GLY 71 20.339 4.052 -13.206 528 1HA GLY 71 1HA GLY 71 22.456 3.246 -13.887 529 2HA GLY 71 2HA GLY 71 23.214 4.339 -12.742 530 H TYR 72 H TYR 72 20.583 2.565 -11.408 531 HA TYR 72 HA TYR 72 22.489 0.681 -10.172 532 1HB TYR 72 1HB TYR 72 20.023 1.988 -9.008 533 2HB TYR 72 2HB TYR 72 20.888 0.667 -8.228 534 HD1 TYR 72 HD1 TYR 72 21.372 4.125 -9.525 535 HD2 TYR 72 HD2 TYR 72 22.675 1.126 -6.803 536 HE1 TYR 72 HE1 TYR 72 22.878 5.752 -8.462 537 HE2 TYR 72 HE2 TYR 72 24.186 2.745 -5.734 538 HH TYR 72 HH TYR 72 25.364 5.111 -6.745 539 H SER 73 H SER 73 22.153 -1.390 -10.661 540 HA SER 73 HA SER 73 19.908 -2.246 -12.177 541 1HB SER 73 1HB SER 73 20.876 -4.522 -11.878 542 2HB SER 73 2HB SER 73 22.058 -3.346 -12.451 543 HG SER 73 HG SER 73 23.084 -3.436 -10.578 544 H PHE 74 H PHE 74 17.957 -2.840 -11.490 545 HA PHE 74 HA PHE 74 17.525 -3.196 -8.627 546 1HB PHE 74 1HB PHE 74 15.838 -2.444 -10.949 547 2HB PHE 74 2HB PHE 74 15.038 -3.296 -9.633 548 HD1 PHE 74 HD1 PHE 74 17.748 -0.738 -9.606 549 HD2 PHE 74 HD2 PHE 74 13.773 -1.761 -8.483 550 HE1 PHE 74 HE1 PHE 74 17.566 1.369 -8.351 551 HE2 PHE 74 HE2 PHE 74 13.583 0.346 -7.226 552 HZ PHE 74 HZ PHE 74 15.481 1.913 -7.158 553 H ILE 75 H ILE 75 18.674 -5.342 -10.540 554 HA ILE 75 HA ILE 75 16.610 -7.394 -10.243 555 HB ILE 75 HB ILE 75 17.706 -7.141 -12.433 556 1HG1 ILE 75 1HG1 ILE 75 18.419 -9.560 -12.685 557 2HG1 ILE 75 2HG1 ILE 75 18.181 -9.720 -10.947 558 1HG2 ILE 75 1HG2 ILE 75 20.207 -7.848 -10.914 559 2HG2 ILE 75 2HG2 ILE 75 20.068 -7.959 -12.669 560 3HG2 ILE 75 3HG2 ILE 75 19.888 -6.399 -11.868 561 1HD1 ILE 75 1HD1 ILE 75 16.036 -8.800 -12.837 562 2HD1 ILE 75 2HD1 ILE 75 16.274 -10.483 -12.363 563 3HD1 ILE 75 3HD1 ILE 75 15.861 -9.274 -11.147 564 H ASN 76 H ASN 76 16.802 -9.157 -8.932 565 HA ASN 76 HA ASN 76 17.504 -10.496 -7.235 566 1HB ASN 76 1HB ASN 76 20.147 -9.687 -8.409 567 2HB ASN 76 2HB ASN 76 20.075 -10.685 -6.961 568 1HD2 ASN 76 2HD2 ASN 76 21.014 -11.247 -9.709 569 2HD2 ASN 76 1HD2 ASN 76 20.145 -12.656 -10.207 570 H ILE 77 H ILE 77 17.155 -7.480 -6.836 571 HA ILE 77 HA ILE 77 18.855 -7.058 -4.496 572 HB ILE 77 HB ILE 77 17.993 -4.742 -4.517 573 1HG1 ILE 77 1HG1 ILE 77 16.736 -5.407 -7.167 574 2HG1 ILE 77 2HG1 ILE 77 15.812 -5.446 -5.669 575 1HG2 ILE 77 1HG2 ILE 77 20.051 -5.394 -5.707 576 2HG2 ILE 77 2HG2 ILE 77 19.101 -5.647 -7.170 577 3HG2 ILE 77 3HG2 ILE 77 19.229 -4.034 -6.471 578 1HD1 ILE 77 1HD1 ILE 77 17.333 -3.027 -6.588 579 2HD1 ILE 77 2HD1 ILE 77 15.647 -3.330 -7.010 580 3HD1 ILE 77 3HD1 ILE 77 16.112 -3.131 -5.320 581 H GLU 78 H GLU 78 17.923 -6.001 -2.591 582 HA GLU 78 HA GLU 78 15.593 -7.474 -1.687 583 1HB GLU 78 1HB GLU 78 17.507 -5.621 -0.265 584 2HB GLU 78 2HB GLU 78 16.149 -6.413 0.525 585 1HG GLU 78 1HG GLU 78 17.151 -8.600 -0.270 586 2HG GLU 78 2HG GLU 78 18.594 -7.672 -0.673 587 H HIS 79 H HIS 79 13.694 -6.599 -0.886 588 HA HIS 79 HA HIS 79 12.458 -4.564 -2.249 589 1HB HIS 79 1HB HIS 79 11.329 -6.226 -0.792 590 2HB HIS 79 2HB HIS 79 11.868 -5.324 0.618 591 HD1 HIS 79 HD1 HIS 79 9.307 -5.348 -2.059 592 HD2 HIS 79 HD2 HIS 79 10.555 -2.832 1.002 593 HE1 HIS 79 HE1 HIS 79 7.476 -3.644 -1.800 594 HE2 HIS 79 HE2 HIS 79 8.212 -2.187 0.119 595 H GLY 80 H GLY 80 13.968 -4.220 0.966 596 1HA GLY 80 1HA GLY 80 13.426 -1.481 1.312 597 2HA GLY 80 2HA GLY 80 14.724 -2.366 2.101 598 H GLN 81 H GLN 81 15.924 -3.125 -0.503 599 HA GLN 81 HA GLN 81 17.717 -0.960 -0.769 600 1HB GLN 81 1HB GLN 81 17.899 -3.542 -1.379 601 2HB GLN 81 2HB GLN 81 17.426 -2.955 -2.967 602 1HG GLN 81 1HG GLN 81 19.333 -1.312 -2.787 603 2HG GLN 81 2HG GLN 81 19.863 -2.226 -1.375 604 1HE2 GLN 81 2HE2 GLN 81 20.179 -1.892 -4.648 605 2HE2 GLN 81 1HE2 GLN 81 20.856 -3.437 -5.023 606 H ALA 82 H ALA 82 15.057 -2.106 -2.817 607 HA ALA 82 HA ALA 82 15.397 -0.175 -4.856 608 1HB ALA 82 1HB ALA 82 12.995 -1.814 -4.070 609 2HB ALA 82 2HB ALA 82 13.090 -0.820 -5.524 610 3HB ALA 82 3HB ALA 82 14.183 -2.188 -5.318 611 H VAL 83 H VAL 83 13.467 -0.227 -1.901 612 HA VAL 83 HA VAL 83 12.065 2.196 -2.473 613 HB VAL 83 HB VAL 83 12.498 0.925 0.237 614 1HG1 VAL 83 1HG1 VAL 83 11.623 3.254 0.214 615 2HG1 VAL 83 2HG1 VAL 83 10.248 2.683 -0.732 616 3HG1 VAL 83 3HG1 VAL 83 10.501 2.082 0.906 617 1HG2 VAL 83 1HG2 VAL 83 11.510 -0.559 -1.622 618 2HG2 VAL 83 2HG2 VAL 83 10.642 -0.447 -0.092 619 3HG2 VAL 83 3HG2 VAL 83 10.088 0.475 -1.490 620 H SER 84 H SER 84 14.906 1.365 -0.530 621 HA SER 84 HA SER 84 15.337 3.922 0.564 622 1HB SER 84 1HB SER 84 16.395 1.878 1.450 623 2HB SER 84 2HB SER 84 17.363 1.748 -0.018 624 HG SER 84 HG SER 84 18.679 2.819 1.309 625 H LEU 85 H LEU 85 16.665 2.363 -2.341 626 HA LEU 85 HA LEU 85 18.415 4.399 -3.111 627 1HB LEU 85 1HB LEU 85 16.955 2.258 -4.624 628 2HB LEU 85 2HB LEU 85 17.941 3.435 -5.473 629 HG LEU 85 HG LEU 85 18.908 1.518 -3.350 630 1HD1 LEU 85 1HD1 LEU 85 18.387 0.496 -5.539 631 2HD1 LEU 85 2HD1 LEU 85 19.503 1.627 -6.304 632 3HD1 LEU 85 3HD1 LEU 85 20.105 0.440 -5.146 633 1HD2 LEU 85 1HD2 LEU 85 20.302 3.699 -4.882 634 2HD2 LEU 85 2HD2 LEU 85 20.206 3.481 -3.134 635 3HD2 LEU 85 3HD2 LEU 85 21.164 2.367 -4.109 636 H LEU 86 H LEU 86 15.057 3.829 -4.171 637 HA LEU 86 HA LEU 86 14.895 6.051 -5.873 638 1HB LEU 86 1HB LEU 86 12.867 4.351 -4.475 639 2HB LEU 86 2HB LEU 86 12.357 5.773 -5.367 640 HG LEU 86 HG LEU 86 13.909 3.463 -6.536 641 1HD1 LEU 86 1HD1 LEU 86 11.536 2.979 -5.866 642 2HD1 LEU 86 2HD1 LEU 86 11.037 4.209 -7.026 643 3HD1 LEU 86 3HD1 LEU 86 11.896 2.772 -7.580 644 1HD2 LEU 86 1HD2 LEU 86 12.769 5.976 -7.739 645 2HD2 LEU 86 2HD2 LEU 86 14.449 5.441 -7.736 646 3HD2 LEU 86 3HD2 LEU 86 13.249 4.573 -8.693 647 H LYS 87 H LYS 87 14.390 5.762 -2.414 648 HA LYS 87 HA LYS 87 13.126 8.313 -2.149 649 1HB LYS 87 1HB LYS 87 14.205 6.279 -0.230 650 2HB LYS 87 2HB LYS 87 13.732 7.875 0.342 651 1HG LYS 87 1HG LYS 87 11.486 7.536 -0.546 652 2HG LYS 87 2HG LYS 87 11.957 5.938 -1.127 653 1HD LYS 87 1HD LYS 87 12.282 5.144 1.099 654 2HD LYS 87 2HD LYS 87 12.108 6.768 1.765 655 1HE LYS 87 1HE LYS 87 9.885 5.531 0.189 656 2HE LYS 87 2HE LYS 87 10.112 5.112 1.887 657 1HZ LYS 87 1HZ LYS 87 9.952 7.472 2.437 658 2HZ LYS 87 2HZ LYS 87 9.690 7.847 0.808 659 3HZ LYS 87 3HZ LYS 87 8.554 6.926 1.657 660 H THR 88 H THR 88 16.476 7.143 -1.754 661 HA THR 88 HA THR 88 17.401 9.569 -0.601 662 HB THR 88 HB THR 88 18.543 7.457 -0.212 663 HG1 THR 88 HG1 THR 88 20.473 8.348 -0.221 664 1HG2 THR 88 1HG2 THR 88 20.140 6.904 -2.311 665 2HG2 THR 88 2HG2 THR 88 18.640 6.050 -1.947 666 3HG2 THR 88 3HG2 THR 88 18.648 7.349 -3.138 667 H PHE 89 H PHE 89 17.084 8.454 -3.937 668 HA PHE 89 HA PHE 89 18.910 9.977 -5.293 669 1HB PHE 89 1HB PHE 89 16.075 9.309 -6.054 670 2HB PHE 89 2HB PHE 89 17.186 10.109 -7.155 671 HD1 PHE 89 HD1 PHE 89 19.707 8.545 -6.413 672 HD2 PHE 89 HD2 PHE 89 15.701 7.325 -7.194 673 HE1 PHE 89 HE1 PHE 89 20.520 6.341 -7.139 674 HE2 PHE 89 HE2 PHE 89 16.513 5.122 -7.921 675 HZ PHE 89 HZ PHE 89 18.922 4.627 -7.895 676 H GLN 90 H GLN 90 18.384 11.897 -6.783 677 HA GLN 90 HA GLN 90 17.798 14.134 -5.095 678 1HB GLN 90 1HB GLN 90 18.555 15.466 -6.981 679 2HB GLN 90 2HB GLN 90 19.643 14.105 -6.743 680 1HG GLN 90 1HG GLN 90 18.083 12.971 -8.527 681 2HG GLN 90 2HG GLN 90 17.725 14.645 -8.948 682 1HE2 GLN 90 2HE2 GLN 90 19.380 12.262 -10.077 683 2HE2 GLN 90 1HE2 GLN 90 20.836 13.031 -10.599 684 H ASN 91 H ASN 91 16.617 15.715 -7.530 685 HA ASN 91 HA ASN 91 13.872 15.227 -6.832 686 1HB ASN 91 1HB ASN 91 15.193 17.173 -8.731 687 2HB ASN 91 2HB ASN 91 13.453 17.105 -8.465 688 1HD2 ASN 91 2HD2 ASN 91 12.739 17.349 -6.197 689 2HD2 ASN 91 1HD2 ASN 91 13.604 18.456 -5.191 690 H THR 92 H THR 92 15.421 15.523 -10.032 691 HA THR 92 HA THR 92 13.341 14.006 -11.287 692 HB THR 92 HB THR 92 15.207 14.086 -13.209 693 HG1 THR 92 HG1 THR 92 16.655 15.652 -12.906 694 1HG2 THR 92 1HG2 THR 92 14.453 16.454 -13.712 695 2HG2 THR 92 2HG2 THR 92 13.199 15.219 -13.594 696 3HG2 THR 92 3HG2 THR 92 13.471 16.332 -12.253 697 H VAL 93 H VAL 93 13.169 11.877 -11.338 698 HA VAL 93 HA VAL 93 15.598 10.243 -10.960 699 HB VAL 93 HB VAL 93 12.765 9.367 -10.385 700 1HG1 VAL 93 1HG1 VAL 93 14.432 7.597 -10.835 701 2HG1 VAL 93 2HG1 VAL 93 15.404 8.209 -9.495 702 3HG1 VAL 93 3HG1 VAL 93 13.799 7.544 -9.189 703 1HG2 VAL 93 1HG2 VAL 93 13.431 11.264 -8.931 704 2HG2 VAL 93 2HG2 VAL 93 13.176 9.761 -8.044 705 3HG2 VAL 93 3HG2 VAL 93 14.814 10.317 -8.385 706 H GLU 94 H GLU 94 16.267 9.316 -12.776 707 HA GLU 94 HA GLU 94 14.354 8.762 -14.915 708 1HB GLU 94 1HB GLU 94 17.374 8.592 -14.933 709 2HB GLU 94 2HB GLU 94 16.322 8.438 -16.334 710 1HG GLU 94 1HG GLU 94 17.052 10.614 -16.499 711 2HG GLU 94 2HG GLU 94 15.502 10.799 -15.680 712 H LEU 95 H LEU 95 13.366 6.851 -14.694 713 HA LEU 95 HA LEU 95 14.909 4.551 -13.720 714 1HB LEU 95 1HB LEU 95 11.949 5.067 -13.935 715 2HB LEU 95 2HB LEU 95 12.611 3.487 -13.555 716 HG LEU 95 HG LEU 95 13.847 4.793 -11.640 717 1HD1 LEU 95 1HD1 LEU 95 13.116 7.009 -12.393 718 2HD1 LEU 95 2HD1 LEU 95 11.438 6.534 -12.134 719 3HD1 LEU 95 3HD1 LEU 95 12.544 6.643 -10.764 720 1HD2 LEU 95 1HD2 LEU 95 10.922 4.063 -11.603 721 2HD2 LEU 95 2HD2 LEU 95 12.286 3.007 -11.234 722 3HD2 LEU 95 3HD2 LEU 95 11.901 4.357 -10.166 723 H ILE 96 H ILE 96 14.845 2.551 -14.785 724 HA ILE 96 HA ILE 96 14.263 2.733 -17.668 725 HB ILE 96 HB ILE 96 16.004 0.633 -16.380 726 1HG1 ILE 96 1HG1 ILE 96 16.980 2.833 -15.859 727 2HG1 ILE 96 2HG1 ILE 96 17.969 1.956 -17.023 728 1HG2 ILE 96 1HG2 ILE 96 15.137 0.166 -18.617 729 2HG2 ILE 96 2HG2 ILE 96 15.844 1.671 -19.204 730 3HG2 ILE 96 3HG2 ILE 96 16.889 0.371 -18.631 731 1HD1 ILE 96 1HD1 ILE 96 16.333 3.394 -18.654 732 2HD1 ILE 96 2HD1 ILE 96 16.550 4.490 -17.290 733 3HD1 ILE 96 3HD1 ILE 96 17.956 3.873 -18.158 734 H ILE 97 H ILE 97 12.533 1.617 -18.376 735 HA ILE 97 HA ILE 97 11.658 -0.734 -16.816 736 HB ILE 97 HB ILE 97 9.322 -0.155 -17.404 737 1HG1 ILE 97 1HG1 ILE 97 10.473 2.511 -18.249 738 2HG1 ILE 97 2HG1 ILE 97 9.928 1.273 -19.376 739 1HG2 ILE 97 1HG2 ILE 97 10.312 0.433 -15.228 740 2HG2 ILE 97 2HG2 ILE 97 10.772 2.005 -15.880 741 3HG2 ILE 97 3HG2 ILE 97 9.068 1.577 -15.731 742 1HD1 ILE 97 1HD1 ILE 97 7.704 1.444 -18.016 743 2HD1 ILE 97 2HD1 ILE 97 8.344 3.027 -17.574 744 3HD1 ILE 97 3HD1 ILE 97 8.088 2.622 -19.271 745 H VAL 98 H VAL 98 10.263 -2.233 -18.013 746 HA VAL 98 HA VAL 98 10.734 -2.272 -20.911 747 HB VAL 98 HB VAL 98 11.246 -4.626 -19.077 748 1HG1 VAL 98 1HG1 VAL 98 10.763 -4.478 -21.918 749 2HG1 VAL 98 2HG1 VAL 98 12.379 -5.108 -21.598 750 3HG1 VAL 98 3HG1 VAL 98 10.967 -5.893 -20.889 751 1HG2 VAL 98 1HG2 VAL 98 13.180 -2.873 -20.588 752 2HG2 VAL 98 2HG2 VAL 98 12.980 -2.952 -18.839 753 3HG2 VAL 98 3HG2 VAL 98 13.608 -4.346 -19.717 754 H ARG 99 H ARG 99 9.152 -3.282 -22.115 755 HA ARG 99 HA ARG 99 6.739 -4.130 -20.642 756 1HB ARG 99 1HB ARG 99 6.935 -2.993 -23.442 757 2HB ARG 99 2HB ARG 99 5.451 -3.462 -22.622 758 1HG ARG 99 1HG ARG 99 7.289 -1.369 -21.511 759 2HG ARG 99 2HG ARG 99 6.021 -0.989 -22.677 760 1HD ARG 99 1HD ARG 99 5.659 -2.233 -19.955 761 2HD ARG 99 2HD ARG 99 5.216 -0.595 -20.432 762 HE ARG 99 HE ARG 99 3.707 -2.979 -20.870 763 1HH1 ARG 99 1HH1 ARG 99 4.369 0.195 -22.224 764 2HH1 ARG 99 2HH1 ARG 99 2.850 0.284 -23.051 765 1HH2 ARG 99 1HH2 ARG 99 1.724 -2.837 -21.964 766 2HH2 ARG 99 2HH2 ARG 99 1.356 -1.428 -22.903 767 H GLU 100 H GLU 100 6.646 -6.282 -20.592 768 HA GLU 100 HA GLU 100 8.018 -8.028 -22.282 769 1HB GLU 100 1HB GLU 100 5.521 -8.574 -20.670 770 2HB GLU 100 2HB GLU 100 6.610 -9.793 -21.318 771 1HG GLU 100 1HG GLU 100 8.413 -8.945 -19.917 772 2HG GLU 100 2HG GLU 100 7.340 -7.699 -19.283 773 H VAL 101 H VAL 101 7.421 -9.311 -24.003 774 HA VAL 101 HA VAL 101 5.060 -8.388 -25.503 775 HB VAL 101 HB VAL 101 6.259 -9.501 -27.480 776 1HG1 VAL 101 1HG1 VAL 101 6.148 -6.981 -26.733 777 2HG1 VAL 101 2HG1 VAL 101 7.880 -7.211 -26.493 778 3HG1 VAL 101 3HG1 VAL 101 7.165 -7.491 -28.081 779 1HG2 VAL 101 1HG2 VAL 101 7.932 -10.567 -25.726 780 2HG2 VAL 101 2HG2 VAL 101 8.448 -10.143 -27.358 781 3HG2 VAL 101 3HG2 VAL 101 8.807 -9.062 -26.011 782 H SER 102 H SER 102 3.388 -9.713 -25.183 783 HA SER 102 HA SER 102 3.880 -12.606 -24.982 784 1HB SER 102 1HB SER 102 2.715 -11.686 -23.064 785 2HB SER 102 2HB SER 102 1.510 -10.937 -24.111 786 HG SER 102 HG SER 102 0.511 -12.784 -24.272 787 H SER 103 H SER 103 3.892 -11.283 -27.532 788 HA SER 103 HA SER 103 1.349 -11.819 -28.792 789 1HB SER 103 1HB SER 103 2.808 -9.956 -29.547 790 2HB SER 103 2HB SER 103 4.010 -11.137 -30.064 791 HG SER 103 HG SER 103 1.405 -10.725 -31.089 792 1H THR 301 1H THR 301 -4.125 -3.018 7.281 793 2H THR 301 2H THR 301 -4.142 -1.675 6.214 794 3H THR 301 3H THR 301 -2.649 -2.318 6.765 795 HA THR 301 HA THR 301 -3.099 -4.367 5.638 796 HB THR 301 HB THR 301 -5.024 -4.398 4.048 797 HG1 THR 301 HG1 THR 301 -5.571 -2.322 3.744 798 1HG2 THR 301 1HG2 THR 301 -6.080 -3.842 6.796 799 2HG2 THR 301 2HG2 THR 301 -6.696 -4.958 5.578 800 3HG2 THR 301 3HG2 THR 301 -5.185 -5.313 6.413 801 H GLY 302 H GLY 302 -1.459 -4.277 4.253 802 1HA GLY 302 1HA GLY 302 -1.505 -3.096 1.758 803 2HA GLY 302 2HA GLY 302 -0.767 -1.910 2.822 804 H TRP 303 H TRP 303 -0.072 -4.247 0.679 805 HA TRP 303 HA TRP 303 2.338 -5.187 2.066 806 1HB TRP 303 1HB TRP 303 2.493 -6.621 -0.156 807 2HB TRP 303 2HB TRP 303 1.460 -7.111 1.177 808 HD1 TRP 303 HD1 TRP 303 -1.003 -7.564 0.601 809 HE1 TRP 303 HE1 TRP 303 -2.504 -7.186 -1.455 810 HE3 TRP 303 HE3 TRP 303 2.206 -4.785 -2.252 811 HZ2 TRP 303 HZ2 TRP 303 -2.349 -5.886 -3.952 812 HZ3 TRP 303 HZ3 TRP 303 1.450 -4.015 -4.463 813 HH2 TRP 303 HH2 TRP 303 -0.782 -4.555 -5.295 814 H GLU 304 H GLU 304 1.374 -2.929 -0.369 815 HA GLU 304 HA GLU 304 4.008 -2.878 -1.602 816 1HB GLU 304 1HB GLU 304 3.080 -1.173 -3.080 817 2HB GLU 304 2HB GLU 304 2.021 -2.573 -3.019 818 1HG GLU 304 1HG GLU 304 0.859 -1.138 -1.115 819 2HG GLU 304 2HG GLU 304 1.590 0.184 -2.023 820 H THR 305 H THR 305 5.159 -0.795 -1.816 821 HA THR 305 HA THR 305 4.850 0.902 0.577 822 HB THR 305 HB THR 305 7.498 0.256 -0.719 823 HG1 THR 305 HG1 THR 305 6.332 -0.976 1.554 824 1HG2 THR 305 1HG2 THR 305 8.332 0.847 1.580 825 2HG2 THR 305 2HG2 THR 305 7.702 2.184 0.619 826 3HG2 THR 305 3HG2 THR 305 6.721 1.485 1.906 827 H TRP 306 H TRP 306 4.274 2.882 -0.007 828 HA TRP 306 HA TRP 306 4.665 3.835 -2.691 829 1HB TRP 306 1HB TRP 306 3.440 5.064 -0.223 830 2HB TRP 306 2HB TRP 306 3.572 5.930 -1.750 831 HD1 TRP 306 HD1 TRP 306 1.737 2.970 -0.140 832 HE1 TRP 306 HE1 TRP 306 -0.312 2.394 -1.588 833 HE3 TRP 306 HE3 TRP 306 2.640 6.077 -4.097 834 HZ2 TRP 306 HZ2 TRP 306 -1.398 3.156 -4.079 835 HZ3 TRP 306 HZ3 TRP 306 1.049 6.093 -5.974 836 HH2 TRP 306 HH2 TRP 306 -0.929 4.660 -5.964 837 H VAL 307 H VAL 307 6.529 4.643 -3.359 838 HA VAL 307 HA VAL 307 8.457 5.724 -1.496 839 HB VAL 307 HB VAL 307 9.859 6.057 -3.548 840 1HG1 VAL 307 1HG1 VAL 307 10.047 4.039 -2.204 841 2HG1 VAL 307 2HG1 VAL 307 8.739 3.290 -3.123 842 3HG1 VAL 307 3HG1 VAL 307 10.268 3.672 -3.915 843 1HG2 VAL 307 1HG2 VAL 307 7.834 6.270 -5.061 844 2HG2 VAL 307 2HG2 VAL 307 9.163 5.280 -5.663 845 3HG2 VAL 307 3HG2 VAL 307 7.724 4.511 -4.993 Start of MODEL 11 1 1H GLY 1 1H GLY 1 3.829 4.960 -33.063 2 2H GLY 1 2H GLY 1 5.451 5.298 -33.403 3 3H GLY 1 3H GLY 1 4.803 5.698 -31.892 4 1HA GLY 1 1HA GLY 1 6.196 3.702 -31.788 5 2HA GLY 1 2HA GLY 1 4.532 3.406 -31.309 6 H SER 2 H SER 2 6.889 3.009 -33.885 7 HA SER 2 HA SER 2 5.517 0.586 -34.725 8 1HB SER 2 1HB SER 2 5.624 1.259 -37.132 9 2HB SER 2 2HB SER 2 4.494 2.224 -36.185 10 HG SER 2 HG SER 2 5.740 3.937 -36.408 11 H HIS 3 H HIS 3 8.003 1.145 -33.370 12 HA HIS 3 HA HIS 3 10.119 0.752 -35.296 13 1HB HIS 3 1HB HIS 3 9.911 1.363 -32.436 14 2HB HIS 3 2HB HIS 3 11.219 0.244 -32.804 15 HD1 HIS 3 HD1 HIS 3 12.005 1.506 -35.572 16 HD2 HIS 3 HD2 HIS 3 11.444 3.605 -32.029 17 HE1 HIS 3 HE1 HIS 3 13.326 3.630 -35.831 18 HE2 HIS 3 HE2 HIS 3 13.050 4.838 -33.638 19 H MET 4 H MET 4 11.273 -1.114 -35.662 20 HA MET 4 HA MET 4 10.468 -3.556 -34.268 21 1HB MET 4 1HB MET 4 9.223 -3.078 -36.554 22 2HB MET 4 2HB MET 4 10.723 -3.684 -37.243 23 1HG MET 4 1HG MET 4 9.271 -5.228 -35.134 24 2HG MET 4 2HG MET 4 8.789 -5.325 -36.826 25 1HE MET 4 1HE MET 4 9.125 -7.914 -36.314 26 2HE MET 4 2HE MET 4 10.697 -8.697 -36.163 27 3HE MET 4 3HE MET 4 10.021 -7.809 -34.798 28 H GLY 5 H GLY 5 12.366 -4.118 -33.392 29 1HA GLY 5 1HA GLY 5 14.866 -3.669 -34.775 30 2HA GLY 5 2HA GLY 5 14.666 -4.373 -33.178 31 H HIS 6 H HIS 6 16.490 -5.654 -34.346 32 HA HIS 6 HA HIS 6 15.506 -7.744 -36.100 33 1HB HIS 6 1HB HIS 6 18.235 -7.138 -34.954 34 2HB HIS 6 2HB HIS 6 17.905 -8.545 -35.961 35 HD1 HIS 6 HD1 HIS 6 15.863 -6.104 -37.418 36 HD2 HIS 6 HD2 HIS 6 19.972 -6.727 -37.372 37 HE1 HIS 6 HE1 HIS 6 16.758 -4.842 -39.402 38 HE2 HIS 6 HE2 HIS 6 19.235 -5.305 -39.401 39 H GLU 7 H GLU 7 16.572 -7.363 -32.769 40 HA GLU 7 HA GLU 7 16.629 -10.125 -32.130 41 1HB GLU 7 1HB GLU 7 17.479 -7.870 -30.881 42 2HB GLU 7 2HB GLU 7 16.026 -8.216 -29.952 43 1HG GLU 7 1HG GLU 7 16.882 -10.115 -29.053 44 2HG GLU 7 2HG GLU 7 17.885 -10.463 -30.460 45 H LEU 8 H LEU 8 15.158 -10.608 -29.964 46 HA LEU 8 HA LEU 8 12.595 -11.160 -30.993 47 1HB LEU 8 1HB LEU 8 13.878 -12.372 -29.138 48 2HB LEU 8 2HB LEU 8 13.289 -11.115 -28.065 49 HG LEU 8 HG LEU 8 10.964 -11.748 -28.628 50 1HD1 LEU 8 1HD1 LEU 8 12.316 -13.935 -30.201 51 2HD1 LEU 8 2HD1 LEU 8 10.602 -13.914 -29.780 52 3HD1 LEU 8 3HD1 LEU 8 11.267 -12.662 -30.828 53 1HD2 LEU 8 1HD2 LEU 8 12.197 -12.706 -26.681 54 2HD2 LEU 8 2HD2 LEU 8 10.902 -13.733 -27.296 55 3HD2 LEU 8 3HD2 LEU 8 12.583 -14.106 -27.681 56 H ALA 9 H ALA 9 10.528 -10.458 -30.104 57 HA ALA 9 HA ALA 9 10.314 -7.630 -30.068 58 1HB ALA 9 1HB ALA 9 8.582 -9.117 -30.992 59 2HB ALA 9 2HB ALA 9 8.218 -9.677 -29.360 60 3HB ALA 9 3HB ALA 9 7.938 -7.992 -29.795 61 H LYS 10 H LYS 10 10.375 -6.240 -28.443 62 HA LYS 10 HA LYS 10 9.346 -6.681 -25.867 63 1HB LYS 10 1HB LYS 10 11.532 -8.098 -25.916 64 2HB LYS 10 2HB LYS 10 12.349 -6.544 -25.784 65 1HG LYS 10 1HG LYS 10 12.184 -7.202 -23.584 66 2HG LYS 10 2HG LYS 10 10.769 -6.165 -23.767 67 1HD LYS 10 1HD LYS 10 9.821 -7.976 -22.730 68 2HD LYS 10 2HD LYS 10 9.602 -8.433 -24.419 69 1HE LYS 10 1HE LYS 10 11.930 -9.569 -24.119 70 2HE LYS 10 2HE LYS 10 11.542 -9.484 -22.402 71 1HZ LYS 10 1HZ LYS 10 9.411 -10.633 -22.976 72 2HZ LYS 10 2HZ LYS 10 10.031 -10.894 -24.528 73 3HZ LYS 10 3HZ LYS 10 10.803 -11.572 -23.185 74 H GLN 11 H GLN 11 8.802 -4.752 -25.157 75 HA GLN 11 HA GLN 11 9.886 -2.398 -26.452 76 1HB GLN 11 1HB GLN 11 7.622 -2.752 -24.495 77 2HB GLN 11 2HB GLN 11 8.077 -1.206 -25.200 78 1HG GLN 11 1HG GLN 11 6.765 -1.632 -26.928 79 2HG GLN 11 2HG GLN 11 7.794 -2.997 -27.352 80 1HE2 GLN 11 2HE2 GLN 11 7.217 -5.081 -26.611 81 2HE2 GLN 11 1HE2 GLN 11 5.588 -5.452 -26.172 82 H GLU 12 H GLU 12 11.923 -2.084 -25.613 83 HA GLU 12 HA GLU 12 12.196 -1.652 -22.726 84 1HB GLU 12 1HB GLU 12 13.865 -3.031 -24.074 85 2HB GLU 12 2HB GLU 12 14.387 -1.515 -24.796 86 1HG GLU 12 1HG GLU 12 14.834 -0.685 -22.468 87 2HG GLU 12 2HG GLU 12 14.559 -2.334 -21.912 88 H ILE 13 H ILE 13 12.113 0.361 -21.901 89 HA ILE 13 HA ILE 13 13.057 2.624 -23.463 90 HB ILE 13 HB ILE 13 11.011 3.950 -23.136 91 1HG1 ILE 13 1HG1 ILE 13 10.121 2.584 -21.224 92 2HG1 ILE 13 2HG1 ILE 13 8.930 2.955 -22.461 93 1HG2 ILE 13 1HG2 ILE 13 11.520 2.739 -25.245 94 2HG2 ILE 13 2HG2 ILE 13 10.472 1.432 -24.694 95 3HG2 ILE 13 3HG2 ILE 13 9.802 3.038 -24.982 96 1HD1 ILE 13 1HD1 ILE 13 9.665 0.574 -23.363 97 2HD1 ILE 13 2HD1 ILE 13 10.106 0.351 -21.671 98 3HD1 ILE 13 3HD1 ILE 13 8.448 0.764 -22.101 99 H ARG 14 H ARG 14 12.971 4.690 -22.231 100 HA ARG 14 HA ARG 14 13.376 4.201 -19.350 101 1HB ARG 14 1HB ARG 14 15.091 5.375 -21.340 102 2HB ARG 14 2HB ARG 14 14.708 6.599 -20.137 103 1HG ARG 14 1HG ARG 14 15.299 4.265 -18.696 104 2HG ARG 14 2HG ARG 14 16.511 4.363 -19.972 105 1HD ARG 14 1HD ARG 14 16.474 6.932 -19.088 106 2HD ARG 14 2HD ARG 14 16.100 6.062 -17.603 107 HE ARG 14 HE ARG 14 18.232 5.183 -17.594 108 1HH1 ARG 14 1HH1 ARG 14 17.694 6.808 -20.665 109 2HH1 ARG 14 2HH1 ARG 14 19.366 6.765 -21.106 110 1HH2 ARG 14 1HH2 ARG 14 20.415 5.134 -18.205 111 2HH2 ARG 14 2HH2 ARG 14 20.903 5.819 -19.720 112 H VAL 15 H VAL 15 12.878 6.021 -17.918 113 HA VAL 15 HA VAL 15 11.090 8.059 -19.004 114 HB VAL 15 HB VAL 15 9.434 7.650 -17.167 115 1HG1 VAL 15 1HG1 VAL 15 9.109 6.925 -19.528 116 2HG1 VAL 15 2HG1 VAL 15 9.715 5.333 -19.071 117 3HG1 VAL 15 3HG1 VAL 15 8.231 5.953 -18.348 118 1HG2 VAL 15 1HG2 VAL 15 11.058 5.138 -16.846 119 2HG2 VAL 15 2HG2 VAL 15 10.666 6.345 -15.621 120 3HG2 VAL 15 3HG2 VAL 15 9.400 5.298 -16.263 121 H ARG 16 H ARG 16 10.983 9.937 -17.774 122 HA ARG 16 HA ARG 16 12.967 10.104 -15.603 123 1HB ARG 16 1HB ARG 16 12.759 11.581 -17.928 124 2HB ARG 16 2HB ARG 16 12.022 12.643 -16.737 125 1HG ARG 16 1HG ARG 16 14.121 13.319 -16.365 126 2HG ARG 16 2HG ARG 16 14.247 11.845 -15.408 127 1HD ARG 16 1HD ARG 16 16.136 12.088 -16.948 128 2HD ARG 16 2HD ARG 16 15.173 10.659 -17.321 129 HE ARG 16 HE ARG 16 14.687 11.569 -19.358 130 1HH1 ARG 16 1HH1 ARG 16 15.852 14.156 -17.282 131 2HH1 ARG 16 2HH1 ARG 16 15.886 15.322 -18.563 132 1HH2 ARG 16 1HH2 ARG 16 14.741 13.119 -21.018 133 2HH2 ARG 16 2HH2 ARG 16 15.257 14.735 -20.672 134 H VAL 17 H VAL 17 12.116 10.124 -13.629 135 HA VAL 17 HA VAL 17 9.484 11.398 -13.222 136 HB VAL 17 HB VAL 17 10.806 9.404 -11.378 137 1HG1 VAL 17 1HG1 VAL 17 9.116 10.913 -10.383 138 2HG1 VAL 17 2HG1 VAL 17 7.937 10.318 -11.553 139 3HG1 VAL 17 3HG1 VAL 17 8.626 9.219 -10.359 140 1HG2 VAL 17 1HG2 VAL 17 10.342 8.386 -13.576 141 2HG2 VAL 17 2HG2 VAL 17 9.343 7.707 -12.292 142 3HG2 VAL 17 3HG2 VAL 17 8.654 8.871 -13.423 143 H GLU 18 H GLU 18 9.530 13.307 -12.252 144 HA GLU 18 HA GLU 18 11.860 14.032 -10.624 145 1HB GLU 18 1HB GLU 18 9.821 15.582 -12.167 146 2HB GLU 18 2HB GLU 18 10.629 16.358 -10.810 147 1HG GLU 18 1HG GLU 18 11.994 16.967 -12.537 148 2HG GLU 18 2HG GLU 18 12.795 15.496 -11.983 149 H LYS 19 H LYS 19 11.712 14.219 -8.475 150 HA LYS 19 HA LYS 19 9.184 13.648 -7.198 151 1HB LYS 19 1HB LYS 19 12.030 13.820 -6.324 152 2HB LYS 19 2HB LYS 19 10.772 13.996 -5.105 153 1HG LYS 19 1HG LYS 19 9.817 11.822 -6.170 154 2HG LYS 19 2HG LYS 19 11.459 11.633 -6.788 155 1HD LYS 19 1HD LYS 19 11.263 12.315 -3.930 156 2HD LYS 19 2HD LYS 19 10.615 10.736 -4.371 157 1HE LYS 19 1HE LYS 19 12.664 9.946 -5.084 158 2HE LYS 19 2HE LYS 19 13.296 11.561 -5.396 159 1HZ LYS 19 1HZ LYS 19 12.807 10.387 -2.711 160 2HZ LYS 19 2HZ LYS 19 14.319 10.565 -3.448 161 3HZ LYS 19 3HZ LYS 19 13.423 11.934 -3.013 162 H ASP 20 H ASP 20 7.814 15.087 -6.469 163 HA ASP 20 HA ASP 20 8.528 17.454 -5.101 164 1HB ASP 20 1HB ASP 20 8.990 17.989 -7.607 165 2HB ASP 20 2HB ASP 20 7.236 18.067 -7.747 166 HA PRO 21 HA PRO 21 7.993 17.034 -3.210 167 1HB PRO 21 1HB PRO 21 6.362 15.650 -1.286 168 2HB PRO 21 2HB PRO 21 6.844 17.346 -1.290 169 1HG PRO 21 1HG PRO 21 4.261 16.457 -1.643 170 2HG PRO 21 2HG PRO 21 4.869 18.028 -2.191 171 1HD PRO 21 1HD PRO 21 4.483 15.496 -3.746 172 2HD PRO 21 2HD PRO 21 4.132 17.173 -4.218 173 H GLU 22 H GLU 22 6.124 14.303 -4.347 174 HA GLU 22 HA GLU 22 8.438 12.571 -3.809 175 1HB GLU 22 1HB GLU 22 5.546 11.886 -3.263 176 2HB GLU 22 2HB GLU 22 6.860 10.717 -3.246 177 1HG GLU 22 1HG GLU 22 6.706 13.137 -1.468 178 2HG GLU 22 2HG GLU 22 6.203 11.513 -1.001 179 H LEU 23 H LEU 23 7.855 10.296 -4.943 180 HA LEU 23 HA LEU 23 7.879 10.842 -7.723 181 1HB LEU 23 1HB LEU 23 7.641 8.259 -6.184 182 2HB LEU 23 2HB LEU 23 7.762 8.333 -7.934 183 HG LEU 23 HG LEU 23 9.924 9.851 -7.148 184 1HD1 LEU 23 1HD1 LEU 23 9.481 9.127 -4.790 185 2HD1 LEU 23 2HD1 LEU 23 9.855 7.480 -5.296 186 3HD1 LEU 23 3HD1 LEU 23 11.088 8.736 -5.402 187 1HD2 LEU 23 1HD2 LEU 23 9.878 8.120 -8.903 188 2HD2 LEU 23 2HD2 LEU 23 11.290 7.979 -7.854 189 3HD2 LEU 23 3HD2 LEU 23 9.929 6.875 -7.654 190 H GLY 24 H GLY 24 5.478 9.188 -5.658 191 1HA GLY 24 1HA GLY 24 3.134 9.691 -5.887 192 2HA GLY 24 2HA GLY 24 3.410 10.009 -7.589 193 H PHE 25 H PHE 25 4.794 7.164 -6.075 194 HA PHE 25 HA PHE 25 2.587 5.471 -6.827 195 1HB PHE 25 1HB PHE 25 3.744 4.152 -8.497 196 2HB PHE 25 2HB PHE 25 3.727 5.835 -9.002 197 HD1 PHE 25 HD1 PHE 25 5.821 3.114 -7.690 198 HD2 PHE 25 HD2 PHE 25 5.752 7.065 -9.266 199 HE1 PHE 25 HE1 PHE 25 8.262 3.033 -7.987 200 HE2 PHE 25 HE2 PHE 25 8.193 6.992 -9.566 201 HZ PHE 25 HZ PHE 25 9.451 4.974 -8.927 202 H SER 26 H SER 26 3.224 3.083 -6.538 203 HA SER 26 HA SER 26 5.048 2.854 -4.228 204 1HB SER 26 1HB SER 26 3.487 0.876 -3.619 205 2HB SER 26 2HB SER 26 2.914 2.516 -3.313 206 HG SER 26 HG SER 26 1.507 0.890 -4.498 207 H ILE 27 H ILE 27 6.172 0.859 -3.976 208 HA ILE 27 HA ILE 27 6.419 -0.710 -6.466 209 HB ILE 27 HB ILE 27 8.789 -1.108 -5.848 210 1HG1 ILE 27 1HG1 ILE 27 8.477 1.151 -3.874 211 2HG1 ILE 27 2HG1 ILE 27 8.367 -0.537 -3.386 212 1HG2 ILE 27 1HG2 ILE 27 8.196 0.614 -7.471 213 2HG2 ILE 27 2HG2 ILE 27 8.037 1.794 -6.170 214 3HG2 ILE 27 3HG2 ILE 27 9.612 1.089 -6.532 215 1HD1 ILE 27 1HD1 ILE 27 10.740 0.270 -4.960 216 2HD1 ILE 27 2HD1 ILE 27 10.632 0.829 -3.290 217 3HD1 ILE 27 3HD1 ILE 27 10.588 -0.898 -3.646 218 H SER 28 H SER 28 6.772 -2.941 -6.267 219 HA SER 28 HA SER 28 6.602 -4.093 -3.579 220 1HB SER 28 1HB SER 28 4.837 -5.670 -4.332 221 2HB SER 28 2HB SER 28 4.292 -3.993 -4.347 222 HG SER 28 HG SER 28 3.803 -5.317 -6.265 223 H GLY 29 H GLY 29 7.164 -6.375 -3.505 224 1HA GLY 29 1HA GLY 29 8.015 -8.349 -4.591 225 2HA GLY 29 2HA GLY 29 8.661 -7.323 -5.862 226 H GLY 30 H GLY 30 10.745 -8.116 -5.700 227 1HA GLY 30 1HA GLY 30 12.919 -7.492 -4.947 228 2HA GLY 30 2HA GLY 30 12.234 -7.121 -3.372 229 H VAL 31 H VAL 31 14.539 -8.789 -4.009 230 HA VAL 31 HA VAL 31 13.728 -11.525 -3.589 231 HB VAL 31 HB VAL 31 16.527 -10.434 -3.285 232 1HG1 VAL 31 1HG1 VAL 31 16.146 -12.705 -2.462 233 2HG1 VAL 31 2HG1 VAL 31 15.495 -13.168 -4.035 234 3HG1 VAL 31 3HG1 VAL 31 17.190 -12.704 -3.883 235 1HG2 VAL 31 1HG2 VAL 31 15.082 -11.261 -5.799 236 2HG2 VAL 31 2HG2 VAL 31 15.824 -9.700 -5.444 237 3HG2 VAL 31 3HG2 VAL 31 16.837 -11.125 -5.678 238 H GLY 32 H GLY 32 12.730 -11.806 -1.660 239 1HA GLY 32 1HA GLY 32 13.110 -12.515 0.606 240 2HA GLY 32 2HA GLY 32 14.362 -11.292 0.739 241 H GLY 33 H GLY 33 12.014 -9.608 -0.791 242 1HA GLY 33 1HA GLY 33 11.213 -8.257 1.594 243 2HA GLY 33 2HA GLY 33 10.662 -7.910 -0.038 244 H ARG 34 H ARG 34 8.496 -7.659 0.576 245 HA ARG 34 HA ARG 34 7.163 -9.862 1.909 246 1HB ARG 34 1HB ARG 34 6.051 -7.247 0.872 247 2HB ARG 34 2HB ARG 34 5.200 -8.394 1.902 248 1HG ARG 34 1HG ARG 34 7.028 -8.049 3.602 249 2HG ARG 34 2HG ARG 34 7.591 -6.710 2.599 250 1HD ARG 34 1HD ARG 34 5.066 -5.973 2.764 251 2HD ARG 34 2HD ARG 34 5.106 -6.963 4.224 252 HE ARG 34 HE ARG 34 6.285 -4.386 3.861 253 1HH1 ARG 34 1HH1 ARG 34 6.660 -7.411 5.612 254 2HH1 ARG 34 2HH1 ARG 34 7.532 -6.678 6.916 255 1HH2 ARG 34 1HH2 ARG 34 7.432 -3.453 5.583 256 2HH2 ARG 34 2HH2 ARG 34 7.968 -4.443 6.900 257 H GLY 35 H GLY 35 8.171 -9.929 -1.059 258 1HA GLY 35 1HA GLY 35 7.498 -11.000 -2.963 259 2HA GLY 35 2HA GLY 35 6.176 -11.656 -2.014 260 H ASN 36 H ASN 36 5.688 -11.184 -4.588 261 HA ASN 36 HA ASN 36 3.823 -8.926 -4.488 262 1HB ASN 36 1HB ASN 36 4.426 -8.283 -6.803 263 2HB ASN 36 2HB ASN 36 5.767 -8.068 -5.682 264 1HD2 ASN 36 2HD2 ASN 36 7.278 -9.959 -5.548 265 2HD2 ASN 36 1HD2 ASN 36 7.683 -10.747 -7.031 266 HA PRO 37 HA PRO 37 1.311 -12.095 -6.383 267 1HB PRO 37 1HB PRO 37 -1.007 -10.816 -6.538 268 2HB PRO 37 2HB PRO 37 -0.266 -11.156 -4.970 269 1HG PRO 37 1HG PRO 37 -0.409 -8.596 -6.483 270 2HG PRO 37 2HG PRO 37 -0.457 -8.872 -4.734 271 1HD PRO 37 1HD PRO 37 1.795 -8.111 -6.268 272 2HD PRO 37 2HD PRO 37 1.792 -8.632 -4.572 273 H PHE 38 H PHE 38 2.897 -10.242 -8.240 274 HA PHE 38 HA PHE 38 1.046 -10.187 -10.526 275 1HB PHE 38 1HB PHE 38 3.651 -8.769 -9.989 276 2HB PHE 38 2HB PHE 38 2.920 -8.814 -11.590 277 HD1 PHE 38 HD1 PHE 38 2.526 -7.605 -8.141 278 HD2 PHE 38 HD2 PHE 38 1.002 -7.497 -12.115 279 HE1 PHE 38 HE1 PHE 38 1.113 -5.681 -7.545 280 HE2 PHE 38 HE2 PHE 38 -0.413 -5.573 -11.524 281 HZ PHE 38 HZ PHE 38 -0.359 -4.664 -9.236 282 H ARG 39 H ARG 39 4.394 -11.119 -9.727 283 HA ARG 39 HA ARG 39 4.245 -13.145 -11.871 284 1HB ARG 39 1HB ARG 39 6.570 -11.453 -10.961 285 2HB ARG 39 2HB ARG 39 6.786 -12.915 -11.918 286 1HG ARG 39 1HG ARG 39 5.010 -11.739 -13.473 287 2HG ARG 39 2HG ARG 39 5.640 -10.289 -12.692 288 1HD ARG 39 1HD ARG 39 6.918 -10.593 -14.652 289 2HD ARG 39 2HD ARG 39 7.945 -11.103 -13.314 290 HE ARG 39 HE ARG 39 6.834 -13.421 -14.078 291 1HH1 ARG 39 1HH1 ARG 39 8.420 -10.902 -15.948 292 2HH1 ARG 39 2HH1 ARG 39 8.986 -12.001 -17.160 293 1HH2 ARG 39 1HH2 ARG 39 7.592 -14.839 -15.682 294 2HH2 ARG 39 2HH2 ARG 39 8.518 -14.224 -17.010 295 HA PRO 40 HA PRO 40 5.015 -15.904 -8.451 296 1HB PRO 40 1HB PRO 40 5.055 -18.244 -9.733 297 2HB PRO 40 2HB PRO 40 3.574 -17.289 -9.607 298 1HG PRO 40 1HG PRO 40 5.438 -17.603 -11.916 299 2HG PRO 40 2HG PRO 40 3.669 -17.489 -11.908 300 1HD PRO 40 1HD PRO 40 5.425 -15.396 -12.459 301 2HD PRO 40 2HD PRO 40 3.720 -15.219 -12.007 302 H ASP 41 H ASP 41 7.021 -16.499 -11.350 303 HA ASP 41 HA ASP 41 9.142 -17.585 -9.686 304 1HB ASP 41 1HB ASP 41 8.354 -18.425 -12.034 305 2HB ASP 41 2HB ASP 41 9.409 -17.149 -12.636 306 H ASP 42 H ASP 42 8.335 -14.480 -10.896 307 HA ASP 42 HA ASP 42 11.149 -13.616 -10.763 308 1HB ASP 42 1HB ASP 42 9.489 -13.118 -12.774 309 2HB ASP 42 2HB ASP 42 8.995 -11.792 -11.726 310 H ASP 43 H ASP 43 11.797 -12.587 -8.993 311 HA ASP 43 HA ASP 43 9.765 -11.391 -7.227 312 1HB ASP 43 1HB ASP 43 11.521 -11.632 -5.446 313 2HB ASP 43 2HB ASP 43 10.954 -13.159 -6.118 314 H GLY 44 H GLY 44 10.769 -9.991 -9.509 315 1HA GLY 44 1HA GLY 44 12.782 -8.121 -8.632 316 2HA GLY 44 2HA GLY 44 11.870 -8.047 -10.133 317 H ILE 45 H ILE 45 11.682 -5.751 -9.760 318 HA ILE 45 HA ILE 45 9.752 -5.039 -7.641 319 HB ILE 45 HB ILE 45 11.469 -3.071 -9.147 320 1HG1 ILE 45 1HG1 ILE 45 12.960 -4.659 -7.995 321 2HG1 ILE 45 2HG1 ILE 45 13.011 -3.070 -7.237 322 1HG2 ILE 45 1HG2 ILE 45 9.435 -2.277 -7.958 323 2HG2 ILE 45 2HG2 ILE 45 10.141 -2.862 -6.451 324 3HG2 ILE 45 3HG2 ILE 45 10.936 -1.574 -7.356 325 1HD1 ILE 45 1HD1 ILE 45 11.312 -5.325 -6.217 326 2HD1 ILE 45 2HD1 ILE 45 12.960 -5.018 -5.670 327 3HD1 ILE 45 3HD1 ILE 45 11.704 -3.808 -5.408 328 H PHE 46 H PHE 46 7.801 -4.263 -8.178 329 HA PHE 46 HA PHE 46 7.327 -3.402 -10.959 330 1HB PHE 46 1HB PHE 46 5.418 -5.119 -9.354 331 2HB PHE 46 2HB PHE 46 5.236 -4.615 -11.031 332 HD1 PHE 46 HD1 PHE 46 7.600 -6.494 -8.837 333 HD2 PHE 46 HD2 PHE 46 5.851 -6.082 -12.697 334 HE1 PHE 46 HE1 PHE 46 8.744 -8.546 -9.573 335 HE2 PHE 46 HE2 PHE 46 6.993 -8.134 -13.436 336 HZ PHE 46 HZ PHE 46 8.439 -9.367 -11.873 337 H VAL 47 H VAL 47 5.660 -1.834 -11.222 338 HA VAL 47 HA VAL 47 5.183 -0.261 -8.805 339 HB VAL 47 HB VAL 47 4.599 0.491 -11.677 340 1HG1 VAL 47 1HG1 VAL 47 4.708 2.100 -9.132 341 2HG1 VAL 47 2HG1 VAL 47 4.695 2.816 -10.744 342 3HG1 VAL 47 3HG1 VAL 47 3.322 1.855 -10.193 343 1HG2 VAL 47 1HG2 VAL 47 7.046 -0.014 -11.021 344 2HG2 VAL 47 2HG2 VAL 47 6.689 1.504 -11.843 345 3HG2 VAL 47 3HG2 VAL 47 6.944 1.485 -10.098 346 H THR 48 H THR 48 3.632 -1.864 -8.026 347 HA THR 48 HA THR 48 1.371 -2.883 -8.952 348 HB THR 48 HB THR 48 1.968 -3.149 -6.656 349 HG1 THR 48 HG1 THR 48 -0.185 -3.505 -6.940 350 1HG2 THR 48 1HG2 THR 48 0.992 -0.384 -6.034 351 2HG2 THR 48 2HG2 THR 48 1.839 -1.518 -4.982 352 3HG2 THR 48 3HG2 THR 48 2.695 -0.746 -6.317 353 H ARG 49 H ARG 49 1.315 0.549 -7.789 354 HA ARG 49 HA ARG 49 -0.703 1.162 -9.763 355 1HB ARG 49 1HB ARG 49 -2.355 1.985 -8.069 356 2HB ARG 49 2HB ARG 49 -2.172 0.237 -8.126 357 1HG ARG 49 1HG ARG 49 -0.930 0.205 -6.118 358 2HG ARG 49 2HG ARG 49 -0.713 1.955 -6.140 359 1HD ARG 49 1HD ARG 49 -3.458 0.764 -6.031 360 2HD ARG 49 2HD ARG 49 -2.490 0.912 -4.565 361 HE ARG 49 HE ARG 49 -2.520 3.382 -5.914 362 1HH1 ARG 49 1HH1 ARG 49 -4.672 1.315 -4.055 363 2HH1 ARG 49 2HH1 ARG 49 -5.642 2.636 -3.496 364 1HH2 ARG 49 1HH2 ARG 49 -3.809 5.093 -5.168 365 2HH2 ARG 49 2HH2 ARG 49 -5.154 4.771 -4.125 366 H VAL 50 H VAL 50 -1.569 3.465 -9.407 367 HA VAL 50 HA VAL 50 0.518 5.237 -8.321 368 HB VAL 50 HB VAL 50 -0.852 5.730 -10.972 369 1HG1 VAL 50 1HG1 VAL 50 -0.012 7.699 -9.693 370 2HG1 VAL 50 2HG1 VAL 50 1.610 7.017 -9.807 371 3HG1 VAL 50 3HG1 VAL 50 0.746 7.484 -11.271 372 1HG2 VAL 50 1HG2 VAL 50 0.604 3.735 -11.097 373 2HG2 VAL 50 2HG2 VAL 50 1.186 5.073 -12.087 374 3HG2 VAL 50 3HG2 VAL 50 1.958 4.720 -10.541 375 H GLN 51 H GLN 51 -0.249 7.318 -7.629 376 HA GLN 51 HA GLN 51 -3.160 7.383 -7.205 377 1HB GLN 51 1HB GLN 51 -0.838 8.190 -5.568 378 2HB GLN 51 2HB GLN 51 -2.222 9.275 -5.501 379 1HG GLN 51 1HG GLN 51 -3.570 7.089 -5.096 380 2HG GLN 51 2HG GLN 51 -2.000 6.432 -4.635 381 1HE2 GLN 51 2HE2 GLN 51 -2.289 6.218 -2.488 382 2HE2 GLN 51 1HE2 GLN 51 -2.612 7.529 -1.409 383 HA PRO 52 HA PRO 52 -2.520 11.847 -8.650 384 1HB PRO 52 1HB PRO 52 -0.115 12.988 -8.907 385 2HB PRO 52 2HB PRO 52 -0.893 12.824 -7.326 386 1HG PRO 52 1HG PRO 52 1.257 11.145 -8.562 387 2HG PRO 52 2HG PRO 52 1.134 11.763 -6.904 388 1HD PRO 52 1HD PRO 52 0.442 9.212 -7.634 389 2HD PRO 52 2HD PRO 52 -0.258 10.069 -6.248 390 H GLU 53 H GLU 53 -3.115 11.872 -10.722 391 HA GLU 53 HA GLU 53 -1.638 10.449 -12.732 392 1HB GLU 53 1HB GLU 53 -4.053 12.249 -13.017 393 2HB GLU 53 2HB GLU 53 -3.432 11.157 -14.248 394 1HG GLU 53 1HG GLU 53 -5.030 9.805 -13.428 395 2HG GLU 53 2HG GLU 53 -3.769 9.406 -12.262 396 H GLY 54 H GLY 54 0.336 11.835 -12.282 397 1HA GLY 54 1HA GLY 54 0.523 13.830 -14.369 398 2HA GLY 54 2HA GLY 54 0.720 14.466 -12.745 399 HA PRO 55 HA PRO 55 5.000 13.441 -12.664 400 1HB PRO 55 1HB PRO 55 5.380 11.815 -10.464 401 2HB PRO 55 2HB PRO 55 5.247 13.575 -10.410 402 1HG PRO 55 1HG PRO 55 3.177 11.498 -9.846 403 2HG PRO 55 2HG PRO 55 3.484 13.035 -9.017 404 1HD PRO 55 1HD PRO 55 1.459 12.737 -10.766 405 2HD PRO 55 2HD PRO 55 2.349 14.266 -10.607 406 H ALA 56 H ALA 56 3.970 10.324 -11.266 407 HA ALA 56 HA ALA 56 5.308 8.991 -13.523 408 1HB ALA 56 1HB ALA 56 5.080 8.385 -10.626 409 2HB ALA 56 2HB ALA 56 5.190 7.028 -11.748 410 3HB ALA 56 3HB ALA 56 6.465 8.246 -11.709 411 H SER 57 H SER 57 2.781 9.793 -14.105 412 HA SER 57 HA SER 57 1.156 7.336 -13.904 413 1HB SER 57 1HB SER 57 0.192 9.515 -12.991 414 2HB SER 57 2HB SER 57 0.133 10.075 -14.661 415 HG SER 57 HG SER 57 -1.269 7.938 -13.464 416 H LYS 58 H LYS 58 1.537 10.097 -16.115 417 HA LYS 58 HA LYS 58 0.800 8.664 -18.434 418 1HB LYS 58 1HB LYS 58 0.856 11.201 -18.040 419 2HB LYS 58 2HB LYS 58 2.570 11.096 -18.423 420 1HG LYS 58 1HG LYS 58 1.217 9.705 -20.463 421 2HG LYS 58 2HG LYS 58 0.313 11.191 -20.191 422 1HD LYS 58 1HD LYS 58 3.299 11.238 -20.497 423 2HD LYS 58 2HD LYS 58 2.244 11.202 -21.911 424 1HE LYS 58 1HE LYS 58 2.666 13.477 -21.540 425 2HE LYS 58 2HE LYS 58 1.059 13.204 -20.868 426 1HZ LYS 58 1HZ LYS 58 3.499 13.103 -19.196 427 2HZ LYS 58 2HZ LYS 58 2.665 14.547 -19.477 428 3HZ LYS 58 3HZ LYS 58 1.891 13.262 -18.694 429 H LEU 59 H LEU 59 3.762 8.646 -16.643 430 HA LEU 59 HA LEU 59 5.320 7.796 -18.961 431 1HB LEU 59 1HB LEU 59 5.996 8.592 -16.148 432 2HB LEU 59 2HB LEU 59 7.154 7.698 -17.117 433 HG LEU 59 HG LEU 59 5.932 10.288 -18.049 434 1HD1 LEU 59 1HD1 LEU 59 8.515 9.875 -16.551 435 2HD1 LEU 59 2HD1 LEU 59 7.998 11.379 -17.313 436 3HD1 LEU 59 3HD1 LEU 59 7.085 10.720 -15.955 437 1HD2 LEU 59 1HD2 LEU 59 8.405 8.769 -18.869 438 2HD2 LEU 59 2HD2 LEU 59 6.900 8.882 -19.783 439 3HD2 LEU 59 3HD2 LEU 59 7.886 10.322 -19.526 440 H LEU 60 H LEU 60 4.563 6.606 -15.675 441 HA LEU 60 HA LEU 60 5.291 3.899 -16.563 442 1HB LEU 60 1HB LEU 60 4.861 4.976 -13.776 443 2HB LEU 60 2HB LEU 60 5.357 3.340 -14.169 444 HG LEU 60 HG LEU 60 7.028 5.606 -15.155 445 1HD1 LEU 60 1HD1 LEU 60 6.821 4.677 -12.311 446 2HD1 LEU 60 2HD1 LEU 60 8.325 5.329 -12.962 447 3HD1 LEU 60 3HD1 LEU 60 6.870 6.324 -12.941 448 1HD2 LEU 60 1HD2 LEU 60 7.571 2.792 -14.219 449 2HD2 LEU 60 2HD2 LEU 60 7.605 3.390 -15.879 450 3HD2 LEU 60 3HD2 LEU 60 8.816 3.937 -14.719 451 H GLN 61 H GLN 61 3.946 2.121 -16.143 452 HA GLN 61 HA GLN 61 1.127 2.766 -15.550 453 1HB GLN 61 1HB GLN 61 0.535 0.910 -17.182 454 2HB GLN 61 2HB GLN 61 1.136 2.400 -17.889 455 1HG GLN 61 1HG GLN 61 2.262 0.800 -19.090 456 2HG GLN 61 2HG GLN 61 3.434 1.208 -17.842 457 1HE2 GLN 61 2HE2 GLN 61 4.439 -0.808 -18.147 458 2HE2 GLN 61 1HE2 GLN 61 3.754 -2.259 -17.508 459 HA PRO 62 HA PRO 62 1.243 -0.337 -12.402 460 1HB PRO 62 1HB PRO 62 -1.392 -1.305 -13.378 461 2HB PRO 62 2HB PRO 62 -0.918 -0.754 -11.769 462 1HG PRO 62 1HG PRO 62 -2.414 0.786 -13.337 463 2HG PRO 62 2HG PRO 62 -1.132 1.488 -12.331 464 1HD PRO 62 1HD PRO 62 -1.133 0.906 -15.266 465 2HD PRO 62 2HD PRO 62 -0.480 2.309 -14.395 466 H GLY 63 H GLY 63 2.253 -2.217 -12.296 467 1HA GLY 63 1HA GLY 63 2.427 -4.550 -12.665 468 2HA GLY 63 2HA GLY 63 1.563 -4.351 -14.176 469 H ASP 64 H ASP 64 4.033 -2.009 -13.868 470 HA ASP 64 HA ASP 64 5.526 -3.248 -15.976 471 1HB ASP 64 1HB ASP 64 6.910 -1.179 -15.818 472 2HB ASP 64 2HB ASP 64 5.187 -0.849 -15.961 473 H LYS 65 H LYS 65 8.102 -2.761 -15.593 474 HA LYS 65 HA LYS 65 8.934 -3.968 -13.060 475 1HB LYS 65 1HB LYS 65 8.659 -5.753 -14.827 476 2HB LYS 65 2HB LYS 65 9.924 -4.954 -15.745 477 1HG LYS 65 1HG LYS 65 11.562 -5.468 -14.137 478 2HG LYS 65 2HG LYS 65 10.351 -5.898 -12.927 479 1HD LYS 65 1HD LYS 65 9.652 -7.757 -14.528 480 2HD LYS 65 2HD LYS 65 11.147 -7.418 -15.399 481 1HE LYS 65 1HE LYS 65 11.445 -7.762 -12.492 482 2HE LYS 65 2HE LYS 65 10.919 -9.200 -13.366 483 1HZ LYS 65 1HZ LYS 65 13.314 -7.585 -14.055 484 2HZ LYS 65 2HZ LYS 65 13.343 -9.033 -13.181 485 3HZ LYS 65 3HZ LYS 65 12.830 -9.029 -14.792 486 H ILE 66 H ILE 66 10.574 -2.843 -12.209 487 HA ILE 66 HA ILE 66 11.911 -0.831 -13.831 488 HB ILE 66 HB ILE 66 12.301 -1.374 -10.881 489 1HG1 ILE 66 1HG1 ILE 66 10.450 0.694 -12.074 490 2HG1 ILE 66 2HG1 ILE 66 9.892 -0.904 -11.591 491 1HG2 ILE 66 1HG2 ILE 66 12.888 1.004 -12.635 492 2HG2 ILE 66 2HG2 ILE 66 12.954 1.038 -10.872 493 3HG2 ILE 66 3HG2 ILE 66 14.046 -0.011 -11.776 494 1HD1 ILE 66 1HD1 ILE 66 11.387 0.759 -9.630 495 2HD1 ILE 66 2HD1 ILE 66 9.697 1.126 -9.969 496 3HD1 ILE 66 3HD1 ILE 66 10.148 -0.466 -9.359 497 H ILE 67 H ILE 67 13.720 -1.332 -14.908 498 HA ILE 67 HA ILE 67 15.313 -3.604 -14.078 499 HB ILE 67 HB ILE 67 15.855 -1.826 -16.448 500 1HG1 ILE 67 1HG1 ILE 67 13.548 -2.586 -16.650 501 2HG1 ILE 67 2HG1 ILE 67 14.561 -3.454 -17.800 502 1HG2 ILE 67 1HG2 ILE 67 16.559 -4.687 -15.813 503 2HG2 ILE 67 2HG2 ILE 67 16.902 -3.874 -17.341 504 3HG2 ILE 67 3HG2 ILE 67 17.661 -3.311 -15.852 505 1HD1 ILE 67 1HD1 ILE 67 13.720 -4.549 -15.129 506 2HD1 ILE 67 2HD1 ILE 67 12.884 -4.867 -16.649 507 3HD1 ILE 67 3HD1 ILE 67 14.548 -5.409 -16.427 508 H GLN 68 H GLN 68 15.804 -0.078 -14.511 509 HA GLN 68 HA GLN 68 18.043 -0.241 -12.659 510 1HB GLN 68 1HB GLN 68 18.462 -0.197 -15.465 511 2HB GLN 68 2HB GLN 68 18.942 1.384 -14.863 512 1HG GLN 68 1HG GLN 68 20.034 -0.397 -13.046 513 2HG GLN 68 2HG GLN 68 20.251 -1.184 -14.605 514 1HE2 GLN 68 2HE2 GLN 68 20.526 1.275 -16.118 515 2HE2 GLN 68 1HE2 GLN 68 22.064 1.940 -15.707 516 H ALA 69 H ALA 69 18.556 1.651 -11.631 517 HA ALA 69 HA ALA 69 16.923 4.026 -12.247 518 1HB ALA 69 1HB ALA 69 16.078 2.610 -10.282 519 2HB ALA 69 2HB ALA 69 17.496 3.204 -9.418 520 3HB ALA 69 3HB ALA 69 16.288 4.341 -10.019 521 H ASN 70 H ASN 70 18.170 5.751 -12.590 522 HA ASN 70 HA ASN 70 20.054 7.053 -12.771 523 1HB ASN 70 1HB ASN 70 19.910 6.576 -9.789 524 2HB ASN 70 2HB ASN 70 20.830 7.869 -10.555 525 1HD2 ASN 70 2HD2 ASN 70 19.474 9.244 -9.210 526 2HD2 ASN 70 1HD2 ASN 70 17.911 9.699 -9.788 527 H GLY 71 H GLY 71 20.751 4.292 -13.217 528 1HA GLY 71 1HA GLY 71 22.854 3.398 -13.772 529 2HA GLY 71 2HA GLY 71 23.600 4.488 -12.621 530 H TYR 72 H TYR 72 21.284 3.348 -10.726 531 HA TYR 72 HA TYR 72 22.994 1.266 -9.636 532 1HB TYR 72 1HB TYR 72 20.586 2.765 -8.638 533 2HB TYR 72 2HB TYR 72 21.100 1.283 -7.842 534 HD1 TYR 72 HD1 TYR 72 23.692 1.220 -7.241 535 HD2 TYR 72 HD2 TYR 72 21.417 4.766 -7.845 536 HE1 TYR 72 HE1 TYR 72 25.332 2.492 -5.921 537 HE2 TYR 72 HE2 TYR 72 23.052 6.046 -6.527 538 HH TYR 72 HH TYR 72 25.098 4.854 -4.475 539 H SER 73 H SER 73 22.668 -0.833 -9.977 540 HA SER 73 HA SER 73 20.591 -1.749 -11.676 541 1HB SER 73 1HB SER 73 21.531 -3.987 -11.266 542 2HB SER 73 2HB SER 73 22.793 -2.814 -11.636 543 HG SER 73 HG SER 73 23.235 -4.213 -9.810 544 H PHE 74 H PHE 74 18.551 -2.058 -11.132 545 HA PHE 74 HA PHE 74 17.859 -2.663 -8.357 546 1HB PHE 74 1HB PHE 74 16.431 -1.483 -10.680 547 2HB PHE 74 2HB PHE 74 15.458 -2.413 -9.546 548 HD1 PHE 74 HD1 PHE 74 18.282 0.006 -9.196 549 HD2 PHE 74 HD2 PHE 74 14.310 -1.064 -8.100 550 HE1 PHE 74 HE1 PHE 74 18.172 1.955 -7.697 551 HE2 PHE 74 HE2 PHE 74 14.195 0.883 -6.602 552 HZ PHE 74 HZ PHE 74 16.127 2.396 -6.399 553 H ILE 75 H ILE 75 18.807 -4.606 -10.773 554 HA ILE 75 HA ILE 75 16.603 -6.494 -10.681 555 HB ILE 75 HB ILE 75 17.768 -6.132 -12.822 556 1HG1 ILE 75 1HG1 ILE 75 18.307 -8.578 -13.296 557 2HG1 ILE 75 2HG1 ILE 75 17.990 -8.879 -11.590 558 1HG2 ILE 75 1HG2 ILE 75 20.004 -5.656 -11.991 559 2HG2 ILE 75 2HG2 ILE 75 20.174 -7.326 -11.450 560 3HG2 ILE 75 3HG2 ILE 75 20.042 -6.966 -13.171 561 1HD1 ILE 75 1HD1 ILE 75 15.942 -7.470 -13.226 562 2HD1 ILE 75 2HD1 ILE 75 16.120 -9.219 -13.364 563 3HD1 ILE 75 3HD1 ILE 75 15.741 -8.491 -11.802 564 H ASN 76 H ASN 76 16.488 -8.148 -9.313 565 HA ASN 76 HA ASN 76 16.997 -9.635 -7.673 566 1HB ASN 76 1HB ASN 76 19.636 -9.472 -9.117 567 2HB ASN 76 2HB ASN 76 19.439 -10.488 -7.692 568 1HD2 ASN 76 2HD2 ASN 76 19.364 -10.480 -10.957 569 2HD2 ASN 76 1HD2 ASN 76 18.349 -11.850 -11.235 570 H ILE 77 H ILE 77 16.548 -7.682 -6.318 571 HA ILE 77 HA ILE 77 18.768 -7.296 -4.465 572 HB ILE 77 HB ILE 77 18.289 -4.855 -4.292 573 1HG1 ILE 77 1HG1 ILE 77 16.937 -5.120 -6.971 574 2HG1 ILE 77 2HG1 ILE 77 16.020 -5.124 -5.467 575 1HG2 ILE 77 1HG2 ILE 77 20.226 -5.689 -5.521 576 2HG2 ILE 77 2HG2 ILE 77 19.254 -5.798 -6.988 577 3HG2 ILE 77 3HG2 ILE 77 19.583 -4.224 -6.262 578 1HD1 ILE 77 1HD1 ILE 77 17.888 -2.913 -6.274 579 2HD1 ILE 77 2HD1 ILE 77 16.158 -2.917 -6.613 580 3HD1 ILE 77 3HD1 ILE 77 16.729 -2.915 -4.944 581 H GLU 78 H GLU 78 17.988 -6.122 -2.451 582 HA GLU 78 HA GLU 78 15.548 -7.401 -1.588 583 1HB GLU 78 1HB GLU 78 17.484 -5.627 -0.093 584 2HB GLU 78 2HB GLU 78 16.145 -6.503 0.636 585 1HG GLU 78 1HG GLU 78 17.140 -8.604 0.127 586 2HG GLU 78 2HG GLU 78 18.380 -7.838 -0.864 587 H HIS 79 H HIS 79 13.720 -6.393 -0.759 588 HA HIS 79 HA HIS 79 12.689 -4.233 -2.151 589 1HB HIS 79 1HB HIS 79 11.608 -6.012 -0.482 590 2HB HIS 79 2HB HIS 79 11.704 -4.651 0.632 591 HD1 HIS 79 HD1 HIS 79 9.225 -4.138 0.738 592 HD2 HIS 79 HD2 HIS 79 10.708 -4.206 -3.145 593 HE1 HIS 79 HE1 HIS 79 7.377 -3.229 -0.707 594 HE2 HIS 79 HE2 HIS 79 8.326 -3.206 -3.039 595 H GLY 80 H GLY 80 13.975 -4.158 1.194 596 1HA GLY 80 1HA GLY 80 13.612 -1.436 1.677 597 2HA GLY 80 2HA GLY 80 14.838 -2.432 2.439 598 H GLN 81 H GLN 81 16.039 -3.013 -0.261 599 HA GLN 81 HA GLN 81 17.883 -0.829 -0.285 600 1HB GLN 81 1HB GLN 81 18.283 -3.344 -0.830 601 2HB GLN 81 2HB GLN 81 17.713 -2.917 -2.438 602 1HG GLN 81 1HG GLN 81 19.841 -1.241 -1.237 603 2HG GLN 81 2HG GLN 81 20.272 -2.861 -1.784 604 1HE2 GLN 81 2HE2 GLN 81 21.635 -1.768 -3.317 605 2HE2 GLN 81 1HE2 GLN 81 20.961 -1.162 -4.786 606 H ALA 82 H ALA 82 15.281 -1.955 -2.385 607 HA ALA 82 HA ALA 82 15.733 -0.077 -4.462 608 1HB ALA 82 1HB ALA 82 14.500 -2.157 -4.818 609 2HB ALA 82 2HB ALA 82 13.210 -1.575 -3.767 610 3HB ALA 82 3HB ALA 82 13.545 -0.752 -5.292 611 H VAL 83 H VAL 83 13.790 0.003 -1.506 612 HA VAL 83 HA VAL 83 12.373 2.385 -2.221 613 HB VAL 83 HB VAL 83 12.779 1.243 0.551 614 1HG1 VAL 83 1HG1 VAL 83 11.880 3.565 0.382 615 2HG1 VAL 83 2HG1 VAL 83 10.509 2.913 -0.515 616 3HG1 VAL 83 3HG1 VAL 83 10.787 2.418 1.154 617 1HG2 VAL 83 1HG2 VAL 83 11.834 -0.351 -1.224 618 2HG2 VAL 83 2HG2 VAL 83 10.916 -0.144 0.267 619 3HG2 VAL 83 3HG2 VAL 83 10.407 0.685 -1.204 620 H SER 84 H SER 84 15.162 1.657 -0.148 621 HA SER 84 HA SER 84 15.595 4.227 0.861 622 1HB SER 84 1HB SER 84 16.697 2.150 1.694 623 2HB SER 84 2HB SER 84 17.712 2.150 0.252 624 HG SER 84 HG SER 84 18.761 3.902 0.967 625 H LEU 85 H LEU 85 16.631 2.745 -2.158 626 HA LEU 85 HA LEU 85 18.380 4.855 -2.939 627 1HB LEU 85 1HB LEU 85 17.054 2.591 -4.406 628 2HB LEU 85 2HB LEU 85 17.997 3.799 -5.260 629 HG LEU 85 HG LEU 85 19.027 1.992 -3.073 630 1HD1 LEU 85 1HD1 LEU 85 18.543 0.861 -5.219 631 2HD1 LEU 85 2HD1 LEU 85 19.625 1.995 -6.027 632 3HD1 LEU 85 3HD1 LEU 85 20.259 0.879 -4.816 633 1HD2 LEU 85 1HD2 LEU 85 20.357 4.131 -4.725 634 2HD2 LEU 85 2HD2 LEU 85 20.222 4.047 -2.969 635 3HD2 LEU 85 3HD2 LEU 85 21.245 2.897 -3.830 636 H LEU 86 H LEU 86 15.002 4.054 -3.616 637 HA LEU 86 HA LEU 86 14.623 6.278 -5.392 638 1HB LEU 86 1HB LEU 86 12.828 4.235 -4.153 639 2HB LEU 86 2HB LEU 86 12.147 5.618 -4.993 640 HG LEU 86 HG LEU 86 14.127 3.739 -6.261 641 1HD1 LEU 86 1HD1 LEU 86 12.052 2.585 -5.546 642 2HD1 LEU 86 2HD1 LEU 86 11.133 3.718 -6.536 643 3HD1 LEU 86 3HD1 LEU 86 12.286 2.620 -7.294 644 1HD2 LEU 86 1HD2 LEU 86 13.968 5.964 -7.267 645 2HD2 LEU 86 2HD2 LEU 86 13.300 4.730 -8.336 646 3HD2 LEU 86 3HD2 LEU 86 12.220 5.776 -7.413 647 H LYS 87 H LYS 87 14.803 6.176 -2.001 648 HA LYS 87 HA LYS 87 12.915 8.394 -1.690 649 1HB LYS 87 1HB LYS 87 14.357 6.662 0.319 650 2HB LYS 87 2HB LYS 87 13.412 8.076 0.767 651 1HG LYS 87 1HG LYS 87 12.133 5.981 -0.911 652 2HG LYS 87 2HG LYS 87 12.371 5.668 0.808 653 1HD LYS 87 1HD LYS 87 11.284 7.988 1.145 654 2HD LYS 87 2HD LYS 87 10.719 7.791 -0.515 655 1HE LYS 87 1HE LYS 87 8.954 6.919 0.679 656 2HE LYS 87 2HE LYS 87 9.898 5.469 0.335 657 1HZ LYS 87 1HZ LYS 87 10.898 5.675 2.546 658 2HZ LYS 87 2HZ LYS 87 9.918 7.015 2.872 659 3HZ LYS 87 3HZ LYS 87 9.219 5.493 2.631 660 H THR 88 H THR 88 16.293 7.511 -1.410 661 HA THR 88 HA THR 88 17.190 9.954 -0.287 662 HB THR 88 HB THR 88 18.475 7.891 -0.080 663 HG1 THR 88 HG1 THR 88 19.886 9.461 0.138 664 1HG2 THR 88 1HG2 THR 88 19.161 8.146 -2.994 665 2HG2 THR 88 2HG2 THR 88 19.683 6.896 -1.864 666 3HG2 THR 88 3HG2 THR 88 17.993 6.991 -2.354 667 H PHE 89 H PHE 89 16.407 9.048 -3.566 668 HA PHE 89 HA PHE 89 18.078 10.724 -5.014 669 1HB PHE 89 1HB PHE 89 15.259 9.794 -5.544 670 2HB PHE 89 2HB PHE 89 16.135 10.789 -6.700 671 HD1 PHE 89 HD1 PHE 89 18.880 9.593 -6.445 672 HD2 PHE 89 HD2 PHE 89 15.032 7.776 -6.654 673 HE1 PHE 89 HE1 PHE 89 19.892 7.558 -7.385 674 HE2 PHE 89 HE2 PHE 89 16.046 5.739 -7.592 675 HZ PHE 89 HZ PHE 89 18.476 5.630 -7.958 676 H GLN 90 H GLN 90 18.301 12.829 -5.211 677 HA GLN 90 HA GLN 90 17.002 14.655 -3.568 678 1HB GLN 90 1HB GLN 90 18.774 14.935 -5.964 679 2HB GLN 90 2HB GLN 90 18.064 16.361 -5.215 680 1HG GLN 90 1HG GLN 90 20.179 16.141 -4.241 681 2HG GLN 90 2HG GLN 90 19.047 15.534 -3.033 682 1HE2 GLN 90 2HE2 GLN 90 20.642 14.315 -2.023 683 2HE2 GLN 90 1HE2 GLN 90 21.267 12.862 -2.717 684 H ASN 91 H ASN 91 16.769 14.654 -7.151 685 HA ASN 91 HA ASN 91 13.982 15.566 -6.855 686 1HB ASN 91 1HB ASN 91 16.108 16.858 -8.569 687 2HB ASN 91 2HB ASN 91 14.388 17.203 -8.721 688 1HD2 ASN 91 2HD2 ASN 91 13.427 17.510 -6.333 689 2HD2 ASN 91 1HD2 ASN 91 14.257 18.724 -5.428 690 H THR 92 H THR 92 15.938 15.287 -9.824 691 HA THR 92 HA THR 92 13.861 13.845 -11.124 692 HB THR 92 HB THR 92 16.504 13.680 -12.406 693 HG1 THR 92 HG1 THR 92 15.420 16.221 -11.761 694 1HG2 THR 92 1HG2 THR 92 14.288 15.320 -13.478 695 2HG2 THR 92 2HG2 THR 92 15.381 14.207 -14.301 696 3HG2 THR 92 3HG2 THR 92 14.037 13.579 -13.349 697 H VAL 93 H VAL 93 14.076 11.741 -12.135 698 HA VAL 93 HA VAL 93 15.989 9.896 -10.958 699 HB VAL 93 HB VAL 93 13.031 9.340 -10.677 700 1HG1 VAL 93 1HG1 VAL 93 15.463 7.943 -9.570 701 2HG1 VAL 93 2HG1 VAL 93 13.787 7.512 -9.227 702 3HG1 VAL 93 3HG1 VAL 93 14.421 7.357 -10.866 703 1HG2 VAL 93 1HG2 VAL 93 14.977 10.274 -8.569 704 2HG2 VAL 93 2HG2 VAL 93 13.602 11.181 -9.200 705 3HG2 VAL 93 3HG2 VAL 93 13.335 9.710 -8.262 706 H GLU 94 H GLU 94 16.760 8.857 -12.679 707 HA GLU 94 HA GLU 94 15.086 8.455 -15.027 708 1HB GLU 94 1HB GLU 94 18.002 7.788 -14.567 709 2HB GLU 94 2HB GLU 94 17.158 7.687 -16.107 710 1HG GLU 94 1HG GLU 94 18.229 9.704 -16.295 711 2HG GLU 94 2HG GLU 94 16.647 10.198 -15.693 712 H LEU 95 H LEU 95 13.930 6.664 -15.277 713 HA LEU 95 HA LEU 95 14.868 4.179 -13.986 714 1HB LEU 95 1HB LEU 95 12.059 5.218 -14.329 715 2HB LEU 95 2HB LEU 95 12.432 3.576 -13.835 716 HG LEU 95 HG LEU 95 13.625 5.797 -12.253 717 1HD1 LEU 95 1HD1 LEU 95 10.740 4.948 -12.028 718 2HD1 LEU 95 2HD1 LEU 95 11.603 5.971 -10.881 719 3HD1 LEU 95 3HD1 LEU 95 11.323 6.535 -12.528 720 1HD2 LEU 95 1HD2 LEU 95 14.140 3.436 -11.790 721 2HD2 LEU 95 2HD2 LEU 95 13.320 4.219 -10.438 722 3HD2 LEU 95 3HD2 LEU 95 12.427 3.134 -11.503 723 H ILE 96 H ILE 96 14.578 2.250 -15.057 724 HA ILE 96 HA ILE 96 13.908 2.458 -17.922 725 HB ILE 96 HB ILE 96 15.665 0.360 -16.635 726 1HG1 ILE 96 1HG1 ILE 96 16.546 2.757 -18.257 727 2HG1 ILE 96 2HG1 ILE 96 16.634 2.672 -16.500 728 1HG2 ILE 96 1HG2 ILE 96 15.090 1.075 -19.505 729 2HG2 ILE 96 2HG2 ILE 96 16.366 -0.030 -18.997 730 3HG2 ILE 96 3HG2 ILE 96 14.679 -0.423 -18.669 731 1HD1 ILE 96 1HD1 ILE 96 17.913 0.376 -17.313 732 2HD1 ILE 96 2HD1 ILE 96 18.406 1.573 -18.510 733 3HD1 ILE 96 3HD1 ILE 96 18.683 1.876 -16.795 734 H ILE 97 H ILE 97 12.156 1.348 -18.583 735 HA ILE 97 HA ILE 97 11.172 -0.854 -16.880 736 HB ILE 97 HB ILE 97 8.861 -0.189 -17.541 737 1HG1 ILE 97 1HG1 ILE 97 10.147 2.405 -18.411 738 2HG1 ILE 97 2HG1 ILE 97 9.611 1.161 -19.536 739 1HG2 ILE 97 1HG2 ILE 97 10.047 0.460 -15.386 740 2HG2 ILE 97 2HG2 ILE 97 10.243 2.058 -16.106 741 3HG2 ILE 97 3HG2 ILE 97 8.627 1.406 -15.832 742 1HD1 ILE 97 1HD1 ILE 97 7.650 2.145 -17.548 743 2HD1 ILE 97 2HD1 ILE 97 8.092 3.219 -18.876 744 3HD1 ILE 97 3HD1 ILE 97 7.415 1.626 -19.217 745 H VAL 98 H VAL 98 9.617 -2.306 -18.055 746 HA VAL 98 HA VAL 98 10.001 -2.444 -20.937 747 HB VAL 98 HB VAL 98 10.735 -4.832 -19.243 748 1HG1 VAL 98 1HG1 VAL 98 9.911 -5.322 -21.495 749 2HG1 VAL 98 2HG1 VAL 98 11.142 -4.257 -22.175 750 3HG1 VAL 98 3HG1 VAL 98 11.619 -5.728 -21.326 751 1HG2 VAL 98 1HG2 VAL 98 12.385 -3.064 -18.873 752 2HG2 VAL 98 2HG2 VAL 98 13.070 -4.396 -19.803 753 3HG2 VAL 98 3HG2 VAL 98 12.605 -2.901 -20.615 754 H ARG 99 H ARG 99 8.520 -3.759 -22.010 755 HA ARG 99 HA ARG 99 6.235 -4.658 -20.374 756 1HB ARG 99 1HB ARG 99 6.423 -3.195 -22.932 757 2HB ARG 99 2HB ARG 99 5.249 -4.504 -22.929 758 1HG ARG 99 1HG ARG 99 4.011 -2.657 -22.268 759 2HG ARG 99 2HG ARG 99 4.388 -3.464 -20.747 760 1HD ARG 99 1HD ARG 99 5.265 -1.562 -20.000 761 2HD ARG 99 2HD ARG 99 6.506 -1.665 -21.247 762 HE ARG 99 HE ARG 99 5.488 0.092 -22.270 763 1HH1 ARG 99 1HH1 ARG 99 3.034 -1.554 -20.367 764 2HH1 ARG 99 2HH1 ARG 99 1.796 -0.410 -20.767 765 1HH2 ARG 99 1HH2 ARG 99 3.847 1.575 -22.778 766 2HH2 ARG 99 2HH2 ARG 99 2.255 1.357 -22.130 767 H GLU 100 H GLU 100 6.165 -6.796 -20.166 768 HA GLU 100 HA GLU 100 7.720 -8.538 -21.800 769 1HB GLU 100 1HB GLU 100 5.547 -9.321 -19.855 770 2HB GLU 100 2HB GLU 100 6.884 -10.316 -20.418 771 1HG GLU 100 1HG GLU 100 8.430 -9.224 -19.103 772 2HG GLU 100 2HG GLU 100 7.449 -7.766 -18.975 773 H VAL 101 H VAL 101 7.181 -9.745 -23.511 774 HA VAL 101 HA VAL 101 4.523 -9.384 -24.656 775 HB VAL 101 HB VAL 101 5.498 -10.581 -26.634 776 1HG1 VAL 101 1HG1 VAL 101 5.443 -8.120 -26.448 777 2HG1 VAL 101 2HG1 VAL 101 7.054 -8.161 -25.732 778 3HG1 VAL 101 3HG1 VAL 101 6.813 -8.703 -27.393 779 1HG2 VAL 101 1HG2 VAL 101 7.237 -11.784 -25.269 780 2HG2 VAL 101 2HG2 VAL 101 7.824 -11.048 -26.761 781 3HG2 VAL 101 3HG2 VAL 101 8.133 -10.266 -25.211 782 H SER 102 H SER 102 3.125 -11.077 -25.175 783 HA SER 102 HA SER 102 3.828 -13.743 -24.154 784 1HB SER 102 1HB SER 102 2.465 -12.533 -22.453 785 2HB SER 102 2HB SER 102 1.177 -12.371 -23.646 786 HG SER 102 HG SER 102 0.693 -14.429 -23.427 787 H SER 103 H SER 103 3.786 -12.736 -26.850 788 HA SER 103 HA SER 103 1.403 -13.970 -28.016 789 1HB SER 103 1HB SER 103 2.266 -13.012 -30.158 790 2HB SER 103 2HB SER 103 1.967 -11.796 -28.917 791 HG SER 103 HG SER 103 4.452 -12.870 -29.747 792 1H THR 301 1H THR 301 -3.683 -3.570 6.233 793 2H THR 301 2H THR 301 -2.505 -2.409 6.693 794 3H THR 301 3H THR 301 -2.885 -3.711 7.743 795 HA THR 301 HA THR 301 -0.816 -4.083 6.661 796 HB THR 301 HB THR 301 -2.894 -5.901 5.450 797 HG1 THR 301 HG1 THR 301 -2.047 -5.801 8.154 798 1HG2 THR 301 1HG2 THR 301 -0.325 -6.620 6.824 799 2HG2 THR 301 2HG2 THR 301 -1.368 -7.655 5.849 800 3HG2 THR 301 3HG2 THR 301 -0.450 -6.358 5.085 801 H GLY 302 H GLY 302 0.427 -4.256 4.796 802 1HA GLY 302 1HA GLY 302 -0.712 -3.986 2.174 803 2HA GLY 302 2HA GLY 302 0.033 -2.497 2.737 804 H TRP 303 H TRP 303 0.550 -5.361 1.116 805 HA TRP 303 HA TRP 303 3.274 -5.828 1.840 806 1HB TRP 303 1HB TRP 303 3.281 -7.202 -0.338 807 2HB TRP 303 2HB TRP 303 2.236 -7.729 0.973 808 HD1 TRP 303 HD1 TRP 303 -0.241 -8.089 0.399 809 HE1 TRP 303 HE1 TRP 303 -1.729 -7.626 -1.650 810 HE3 TRP 303 HE3 TRP 303 3.045 -5.335 -2.391 811 HZ2 TRP 303 HZ2 TRP 303 -1.537 -6.276 -4.116 812 HZ3 TRP 303 HZ3 TRP 303 2.311 -4.495 -4.584 813 HH2 TRP 303 HH2 TRP 303 0.066 -4.958 -5.429 814 H GLU 304 H GLU 304 1.971 -3.282 0.052 815 HA GLU 304 HA GLU 304 4.405 -3.039 -1.588 816 1HB GLU 304 1HB GLU 304 3.102 -1.305 -2.845 817 2HB GLU 304 2HB GLU 304 2.431 -2.927 -2.945 818 1HG GLU 304 1HG GLU 304 1.403 -1.191 -0.788 819 2HG GLU 304 2HG GLU 304 0.958 -0.767 -2.440 820 H THR 305 H THR 305 5.378 -0.903 -1.765 821 HA THR 305 HA THR 305 4.960 0.766 0.634 822 HB THR 305 HB THR 305 7.643 0.375 -0.684 823 HG1 THR 305 HG1 THR 305 8.069 -1.224 0.773 824 1HG2 THR 305 1HG2 THR 305 8.492 1.018 1.537 825 2HG2 THR 305 2HG2 THR 305 7.545 2.290 0.764 826 3HG2 THR 305 3HG2 THR 305 6.833 1.321 2.053 827 H TRP 306 H TRP 306 4.666 2.878 0.273 828 HA TRP 306 HA TRP 306 4.761 3.826 -2.480 829 1HB TRP 306 1HB TRP 306 3.564 4.912 0.063 830 2HB TRP 306 2HB TRP 306 3.684 5.895 -1.394 831 HD1 TRP 306 HD1 TRP 306 1.854 2.838 0.013 832 HE1 TRP 306 HE1 TRP 306 -0.188 2.347 -1.478 833 HE3 TRP 306 HE3 TRP 306 2.774 6.175 -3.749 834 HZ2 TRP 306 HZ2 TRP 306 -1.262 3.256 -3.925 835 HZ3 TRP 306 HZ3 TRP 306 1.193 6.302 -5.629 836 HH2 TRP 306 HH2 TRP 306 -0.786 4.871 -5.714 837 H VAL 307 H VAL 307 6.635 4.621 -3.176 838 HA VAL 307 HA VAL 307 8.544 5.799 -1.351 839 HB VAL 307 HB VAL 307 9.932 6.121 -3.407 840 1HG1 VAL 307 1HG1 VAL 307 8.866 3.358 -2.853 841 2HG1 VAL 307 2HG1 VAL 307 10.325 3.700 -3.783 842 3HG1 VAL 307 3HG1 VAL 307 10.242 4.146 -2.080 843 1HG2 VAL 307 1HG2 VAL 307 7.915 6.270 -4.930 844 2HG2 VAL 307 2HG2 VAL 307 9.256 5.282 -5.510 845 3HG2 VAL 307 3HG2 VAL 307 7.824 4.513 -4.826 Start of MODEL 12 1 1H GLY 1 1H GLY 1 3.274 -2.356 -48.378 2 2H GLY 1 2H GLY 1 3.337 -1.489 -49.829 3 3H GLY 1 3H GLY 1 2.778 -0.739 -48.420 4 1HA GLY 1 1HA GLY 1 5.088 -0.116 -49.070 5 2HA GLY 1 2HA GLY 1 4.902 -0.728 -47.433 6 H SER 2 H SER 2 7.139 -1.270 -47.439 7 HA SER 2 HA SER 2 7.619 -3.942 -48.413 8 1HB SER 2 1HB SER 2 8.251 -2.305 -50.299 9 2HB SER 2 2HB SER 2 9.596 -1.832 -49.261 10 HG SER 2 HG SER 2 10.574 -3.634 -49.730 11 H HIS 3 H HIS 3 7.919 -4.560 -46.296 12 HA HIS 3 HA HIS 3 9.929 -3.174 -44.698 13 1HB HIS 3 1HB HIS 3 9.202 -4.844 -42.921 14 2HB HIS 3 2HB HIS 3 7.981 -3.691 -43.446 15 HD1 HIS 3 HD1 HIS 3 6.072 -5.273 -42.720 16 HD2 HIS 3 HD2 HIS 3 8.579 -6.859 -45.631 17 HE1 HIS 3 HE1 HIS 3 4.881 -7.305 -43.601 18 HE2 HIS 3 HE2 HIS 3 6.377 -8.198 -45.420 19 H MET 4 H MET 4 11.454 -4.605 -43.421 20 HA MET 4 HA MET 4 12.483 -6.775 -45.134 21 1HB MET 4 1HB MET 4 14.765 -6.133 -44.416 22 2HB MET 4 2HB MET 4 13.958 -4.869 -45.333 23 1HG MET 4 1HG MET 4 14.812 -3.598 -43.675 24 2HG MET 4 2HG MET 4 13.298 -4.051 -42.899 25 1HE MET 4 1HE MET 4 14.519 -3.067 -40.964 26 2HE MET 4 2HE MET 4 15.418 -4.057 -39.814 27 3HE MET 4 3HE MET 4 16.272 -3.210 -41.104 28 H GLY 5 H GLY 5 12.226 -5.528 -41.820 29 1HA GLY 5 1HA GLY 5 11.445 -7.695 -40.481 30 2HA GLY 5 2HA GLY 5 13.143 -8.069 -40.728 31 H HIS 6 H HIS 6 10.875 -6.428 -38.814 32 HA HIS 6 HA HIS 6 13.050 -5.192 -37.253 33 1HB HIS 6 1HB HIS 6 11.425 -3.610 -38.513 34 2HB HIS 6 2HB HIS 6 10.256 -4.079 -37.282 35 HD1 HIS 6 HD1 HIS 6 10.462 -2.998 -35.010 36 HD2 HIS 6 HD2 HIS 6 13.687 -2.166 -37.497 37 HE1 HIS 6 HE1 HIS 6 11.792 -1.225 -33.819 38 HE2 HIS 6 HE2 HIS 6 13.785 -0.805 -35.300 39 H GLU 7 H GLU 7 12.873 -5.300 -35.003 40 HA GLU 7 HA GLU 7 11.050 -7.392 -34.055 41 1HB GLU 7 1HB GLU 7 13.610 -7.462 -33.735 42 2HB GLU 7 2HB GLU 7 13.350 -6.245 -32.492 43 1HG GLU 7 1HG GLU 7 12.054 -7.718 -31.182 44 2HG GLU 7 2HG GLU 7 11.921 -8.884 -32.499 45 H LEU 8 H LEU 8 9.782 -7.133 -32.208 46 HA LEU 8 HA LEU 8 9.639 -4.488 -30.982 47 1HB LEU 8 1HB LEU 8 7.195 -4.382 -31.278 48 2HB LEU 8 2HB LEU 8 8.058 -4.321 -32.804 49 HG LEU 8 HG LEU 8 7.105 -6.980 -31.864 50 1HD1 LEU 8 1HD1 LEU 8 5.202 -5.433 -31.479 51 2HD1 LEU 8 2HD1 LEU 8 5.277 -4.980 -33.182 52 3HD1 LEU 8 3HD1 LEU 8 4.892 -6.640 -32.727 53 1HD2 LEU 8 1HD2 LEU 8 8.440 -6.724 -33.912 54 2HD2 LEU 8 2HD2 LEU 8 6.824 -7.346 -34.244 55 3HD2 LEU 8 3HD2 LEU 8 7.201 -5.656 -34.571 56 H ALA 9 H ALA 9 10.568 -6.999 -30.024 57 HA ALA 9 HA ALA 9 8.496 -8.018 -28.260 58 1HB ALA 9 1HB ALA 9 10.186 -9.439 -29.532 59 2HB ALA 9 2HB ALA 9 11.369 -8.901 -28.341 60 3HB ALA 9 3HB ALA 9 9.951 -9.815 -27.825 61 H LYS 10 H LYS 10 10.677 -8.618 -26.121 62 HA LYS 10 HA LYS 10 10.082 -6.764 -24.226 63 1HB LYS 10 1HB LYS 10 12.830 -7.980 -24.482 64 2HB LYS 10 2HB LYS 10 12.052 -7.423 -23.011 65 1HG LYS 10 1HG LYS 10 11.321 -9.824 -24.669 66 2HG LYS 10 2HG LYS 10 11.992 -9.796 -23.044 67 1HD LYS 10 1HD LYS 10 9.921 -8.629 -22.282 68 2HD LYS 10 2HD LYS 10 9.250 -8.884 -23.894 69 1HE LYS 10 1HE LYS 10 10.136 -11.023 -21.960 70 2HE LYS 10 2HE LYS 10 8.472 -10.609 -22.371 71 1HZ LYS 10 1HZ LYS 10 10.479 -11.623 -24.310 72 2HZ LYS 10 2HZ LYS 10 9.307 -12.582 -23.556 73 3HZ LYS 10 3HZ LYS 10 8.837 -11.345 -24.610 74 H GLN 11 H GLN 11 10.130 -4.620 -24.410 75 HA GLN 11 HA GLN 11 12.396 -3.305 -25.711 76 1HB GLN 11 1HB GLN 11 11.002 -1.299 -25.691 77 2HB GLN 11 2HB GLN 11 10.137 -2.650 -26.409 78 1HG GLN 11 1HG GLN 11 9.392 -2.852 -23.798 79 2HG GLN 11 2HG GLN 11 9.555 -1.108 -23.990 80 1HE2 GLN 11 2HE2 GLN 11 7.994 -3.976 -25.298 81 2HE2 GLN 11 1HE2 GLN 11 6.623 -3.156 -25.955 82 H GLU 12 H GLU 12 13.285 -1.327 -24.724 83 HA GLU 12 HA GLU 12 13.211 -1.335 -21.783 84 1HB GLU 12 1HB GLU 12 15.708 -0.801 -21.871 85 2HB GLU 12 2HB GLU 12 15.245 -2.466 -22.193 86 1HG GLU 12 1HG GLU 12 15.616 -0.543 -24.447 87 2HG GLU 12 2HG GLU 12 17.008 -1.311 -23.687 88 H ILE 13 H ILE 13 12.050 0.516 -21.577 89 HA ILE 13 HA ILE 13 13.048 2.922 -22.959 90 HB ILE 13 HB ILE 13 10.800 3.900 -22.365 91 1HG1 ILE 13 1HG1 ILE 13 10.127 1.008 -21.777 92 2HG1 ILE 13 2HG1 ILE 13 10.260 2.277 -20.563 93 1HG2 ILE 13 1HG2 ILE 13 10.930 1.486 -24.165 94 2HG2 ILE 13 2HG2 ILE 13 9.622 2.670 -24.174 95 3HG2 ILE 13 3HG2 ILE 13 11.261 3.162 -24.602 96 1HD1 ILE 13 1HD1 ILE 13 8.335 2.438 -22.856 97 2HD1 ILE 13 2HD1 ILE 13 7.934 1.661 -21.323 98 3HD1 ILE 13 3HD1 ILE 13 8.345 3.376 -21.362 99 H ARG 14 H ARG 14 12.971 4.960 -21.820 100 HA ARG 14 HA ARG 14 13.475 4.663 -18.930 101 1HB ARG 14 1HB ARG 14 14.897 6.157 -21.070 102 2HB ARG 14 2HB ARG 14 14.771 6.952 -19.506 103 1HG ARG 14 1HG ARG 14 15.712 4.843 -18.493 104 2HG ARG 14 2HG ARG 14 16.058 4.311 -20.137 105 1HD ARG 14 1HD ARG 14 17.029 6.998 -19.708 106 2HD ARG 14 2HD ARG 14 17.662 5.900 -18.483 107 HE ARG 14 HE ARG 14 18.883 4.814 -20.104 108 1HH1 ARG 14 1HH1 ARG 14 16.650 7.027 -21.667 109 2HH1 ARG 14 2HH1 ARG 14 17.407 6.872 -23.218 110 1HH2 ARG 14 1HH2 ARG 14 19.853 4.625 -22.145 111 2HH2 ARG 14 2HH2 ARG 14 19.215 5.515 -23.488 112 H VAL 15 H VAL 15 12.722 6.284 -17.528 113 HA VAL 15 HA VAL 15 10.933 8.319 -18.659 114 HB VAL 15 HB VAL 15 9.249 7.827 -16.893 115 1HG1 VAL 15 1HG1 VAL 15 8.938 7.057 -19.187 116 2HG1 VAL 15 2HG1 VAL 15 9.805 5.568 -18.811 117 3HG1 VAL 15 3HG1 VAL 15 8.259 5.909 -18.034 118 1HG2 VAL 15 1HG2 VAL 15 10.784 6.594 -15.385 119 2HG2 VAL 15 2HG2 VAL 15 9.288 5.723 -15.718 120 3HG2 VAL 15 3HG2 VAL 15 10.780 5.254 -16.532 121 H ARG 16 H ARG 16 10.816 10.212 -17.493 122 HA ARG 16 HA ARG 16 12.708 10.440 -15.253 123 1HB ARG 16 1HB ARG 16 11.766 12.335 -17.366 124 2HB ARG 16 2HB ARG 16 12.324 12.984 -15.830 125 1HG ARG 16 1HG ARG 16 14.455 11.747 -16.152 126 2HG ARG 16 2HG ARG 16 13.889 11.287 -17.757 127 1HD ARG 16 1HD ARG 16 14.185 14.129 -16.798 128 2HD ARG 16 2HD ARG 16 15.396 13.266 -17.746 129 HE ARG 16 HE ARG 16 13.010 14.484 -18.716 130 1HH1 ARG 16 1HH1 ARG 16 15.195 11.798 -19.300 131 2HH1 ARG 16 2HH1 ARG 16 14.798 11.692 -20.982 132 1HH2 ARG 16 1HH2 ARG 16 12.507 14.326 -20.925 133 2HH2 ARG 16 2HH2 ARG 16 13.279 13.122 -21.900 134 H VAL 17 H VAL 17 11.899 10.613 -13.273 135 HA VAL 17 HA VAL 17 9.151 11.634 -12.950 136 HB VAL 17 HB VAL 17 10.666 9.927 -10.970 137 1HG1 VAL 17 1HG1 VAL 17 8.859 11.251 -10.017 138 2HG1 VAL 17 2HG1 VAL 17 7.738 10.610 -11.218 139 3HG1 VAL 17 3HG1 VAL 17 8.447 9.537 -10.011 140 1HG2 VAL 17 1HG2 VAL 17 10.339 8.704 -13.086 141 2HG2 VAL 17 2HG2 VAL 17 9.397 8.020 -11.761 142 3HG2 VAL 17 3HG2 VAL 17 8.607 9.020 -12.981 143 H GLU 18 H GLU 18 9.118 13.679 -12.277 144 HA GLU 18 HA GLU 18 11.336 14.760 -10.736 145 1HB GLU 18 1HB GLU 18 8.846 16.107 -11.801 146 2HB GLU 18 2HB GLU 18 10.206 16.926 -11.044 147 1HG GLU 18 1HG GLU 18 11.589 16.598 -12.851 148 2HG GLU 18 2HG GLU 18 10.677 15.205 -13.430 149 H LYS 19 H LYS 19 11.333 14.738 -8.593 150 HA LYS 19 HA LYS 19 9.000 14.018 -7.102 151 1HB LYS 19 1HB LYS 19 11.763 14.886 -6.251 152 2HB LYS 19 2HB LYS 19 10.504 14.408 -5.119 153 1HG LYS 19 1HG LYS 19 10.490 12.295 -6.809 154 2HG LYS 19 2HG LYS 19 12.187 12.769 -6.880 155 1HD LYS 19 1HD LYS 19 11.833 12.872 -4.232 156 2HD LYS 19 2HD LYS 19 10.606 11.666 -4.628 157 1HE LYS 19 1HE LYS 19 12.202 10.209 -5.578 158 2HE LYS 19 2HE LYS 19 13.434 11.469 -5.633 159 1HZ LYS 19 1HZ LYS 19 13.246 11.468 -3.115 160 2HZ LYS 19 2HZ LYS 19 12.413 10.004 -3.275 161 3HZ LYS 19 3HZ LYS 19 14.008 10.135 -3.824 162 H ASP 20 H ASP 20 7.444 15.344 -6.524 163 HA ASP 20 HA ASP 20 7.919 17.835 -5.256 164 1HB ASP 20 1HB ASP 20 8.122 18.146 -7.916 165 2HB ASP 20 2HB ASP 20 6.372 18.289 -7.755 166 HA PRO 21 HA PRO 21 7.483 17.511 -3.320 167 1HB PRO 21 1HB PRO 21 6.097 16.015 -1.281 168 2HB PRO 21 2HB PRO 21 6.367 17.756 -1.369 169 1HG PRO 21 1HG PRO 21 3.904 16.562 -1.595 170 2HG PRO 21 2HG PRO 21 4.309 18.153 -2.264 171 1HD PRO 21 1HD PRO 21 4.193 15.493 -3.640 172 2HD PRO 21 2HD PRO 21 3.618 17.077 -4.202 173 H GLU 22 H GLU 22 6.027 14.496 -4.289 174 HA GLU 22 HA GLU 22 8.558 13.132 -3.691 175 1HB GLU 22 1HB GLU 22 5.797 12.034 -3.128 176 2HB GLU 22 2HB GLU 22 7.290 11.114 -3.000 177 1HG GLU 22 1HG GLU 22 8.000 12.279 -1.130 178 2HG GLU 22 2HG GLU 22 6.933 13.645 -1.453 179 H LEU 23 H LEU 23 8.221 10.718 -4.727 180 HA LEU 23 HA LEU 23 8.285 11.122 -7.509 181 1HB LEU 23 1HB LEU 23 7.954 8.550 -5.961 182 2HB LEU 23 2HB LEU 23 8.360 8.660 -7.665 183 HG LEU 23 HG LEU 23 10.312 10.223 -6.516 184 1HD1 LEU 23 1HD1 LEU 23 9.573 8.037 -4.605 185 2HD1 LEU 23 2HD1 LEU 23 11.224 8.644 -4.719 186 3HD1 LEU 23 3HD1 LEU 23 9.912 9.735 -4.272 187 1HD2 LEU 23 1HD2 LEU 23 10.439 7.264 -7.092 188 2HD2 LEU 23 2HD2 LEU 23 10.671 8.563 -8.262 189 3HD2 LEU 23 3HD2 LEU 23 11.824 8.345 -6.946 190 H GLY 24 H GLY 24 5.868 9.353 -5.546 191 1HA GLY 24 1HA GLY 24 3.530 9.671 -5.812 192 2HA GLY 24 2HA GLY 24 3.816 10.241 -7.446 193 H PHE 25 H PHE 25 5.117 7.242 -6.060 194 HA PHE 25 HA PHE 25 3.083 5.620 -7.260 195 1HB PHE 25 1HB PHE 25 4.427 4.495 -8.925 196 2HB PHE 25 2HB PHE 25 4.443 6.223 -9.250 197 HD1 PHE 25 HD1 PHE 25 6.421 3.401 -7.945 198 HD2 PHE 25 HD2 PHE 25 6.468 7.455 -9.238 199 HE1 PHE 25 HE1 PHE 25 8.879 3.352 -7.996 200 HE2 PHE 25 HE2 PHE 25 8.927 7.412 -9.296 201 HZ PHE 25 HZ PHE 25 10.135 5.359 -8.673 202 H SER 26 H SER 26 3.298 3.371 -6.767 203 HA SER 26 HA SER 26 5.024 2.919 -4.429 204 1HB SER 26 1HB SER 26 3.337 0.918 -4.167 205 2HB SER 26 2HB SER 26 2.861 2.548 -3.692 206 HG SER 26 HG SER 26 1.523 1.093 -5.262 207 H ILE 27 H ILE 27 6.254 1.097 -4.203 208 HA ILE 27 HA ILE 27 6.549 -0.613 -6.587 209 HB ILE 27 HB ILE 27 8.950 -0.834 -6.026 210 1HG1 ILE 27 1HG1 ILE 27 8.563 1.516 -4.172 211 2HG1 ILE 27 2HG1 ILE 27 8.586 -0.147 -3.591 212 1HG2 ILE 27 1HG2 ILE 27 8.202 0.763 -7.720 213 2HG2 ILE 27 2HG2 ILE 27 8.042 2.006 -6.481 214 3HG2 ILE 27 3HG2 ILE 27 9.632 1.350 -6.872 215 1HD1 ILE 27 1HD1 ILE 27 10.835 0.854 -5.269 216 2HD1 ILE 27 2HD1 ILE 27 10.753 1.283 -3.561 217 3HD1 ILE 27 3HD1 ILE 27 10.822 -0.412 -4.041 218 H SER 28 H SER 28 7.063 -2.811 -6.200 219 HA SER 28 HA SER 28 7.018 -3.742 -3.429 220 1HB SER 28 1HB SER 28 5.174 -5.035 -5.427 221 2HB SER 28 2HB SER 28 5.154 -5.153 -3.668 222 HG SER 28 HG SER 28 4.479 -2.977 -3.601 223 H GLY 29 H GLY 29 6.996 -6.367 -3.646 224 1HA GLY 29 1HA GLY 29 8.007 -8.268 -4.525 225 2HA GLY 29 2HA GLY 29 8.605 -7.302 -5.863 226 H GLY 30 H GLY 30 10.681 -8.088 -5.804 227 1HA GLY 30 1HA GLY 30 12.903 -7.527 -5.192 228 2HA GLY 30 2HA GLY 30 12.322 -7.061 -3.598 229 H VAL 31 H VAL 31 14.558 -8.700 -3.940 230 HA VAL 31 HA VAL 31 13.823 -11.460 -3.685 231 HB VAL 31 HB VAL 31 16.464 -10.188 -2.940 232 1HG1 VAL 31 1HG1 VAL 31 16.135 -12.477 -2.121 233 2HG1 VAL 31 2HG1 VAL 31 15.799 -13.010 -3.769 234 3HG1 VAL 31 3HG1 VAL 31 17.396 -12.392 -3.350 235 1HG2 VAL 31 1HG2 VAL 31 15.656 -9.701 -5.298 236 2HG2 VAL 31 2HG2 VAL 31 17.228 -10.487 -5.151 237 3HG2 VAL 31 3HG2 VAL 31 15.808 -11.433 -5.598 238 H GLY 32 H GLY 32 12.404 -11.634 -1.985 239 1HA GLY 32 1HA GLY 32 12.258 -12.437 0.256 240 2HA GLY 32 2HA GLY 32 13.623 -11.416 0.675 241 H GLY 33 H GLY 33 11.412 -9.664 -1.241 242 1HA GLY 33 1HA GLY 33 10.621 -8.106 1.062 243 2HA GLY 33 2HA GLY 33 10.288 -7.732 -0.620 244 H ARG 34 H ARG 34 8.177 -7.123 0.184 245 HA ARG 34 HA ARG 34 6.397 -8.933 1.389 246 1HB ARG 34 1HB ARG 34 5.968 -6.416 -0.208 247 2HB ARG 34 2HB ARG 34 4.636 -7.321 0.500 248 1HG ARG 34 1HG ARG 34 5.473 -6.957 2.710 249 2HG ARG 34 2HG ARG 34 6.956 -6.240 2.080 250 1HD ARG 34 1HD ARG 34 5.649 -4.406 1.114 251 2HD ARG 34 2HD ARG 34 4.174 -5.119 1.762 252 HE ARG 34 HE ARG 34 6.177 -3.627 3.212 253 1HH1 ARG 34 1HH1 ARG 34 3.499 -5.882 3.490 254 2HH1 ARG 34 2HH1 ARG 34 3.177 -5.471 5.141 255 1HH2 ARG 34 1HH2 ARG 34 5.734 -3.108 5.377 256 2HH2 ARG 34 2HH2 ARG 34 4.440 -3.904 6.207 257 H GLY 35 H GLY 35 7.308 -8.487 -1.954 258 1HA GLY 35 1HA GLY 35 6.953 -10.083 -3.644 259 2HA GLY 35 2HA GLY 35 5.703 -10.817 -2.653 260 H ASN 36 H ASN 36 5.263 -10.501 -5.311 261 HA ASN 36 HA ASN 36 3.266 -8.330 -5.399 262 1HB ASN 36 1HB ASN 36 5.354 -9.110 -7.369 263 2HB ASN 36 2HB ASN 36 3.779 -8.666 -8.020 264 1HD2 ASN 36 2HD2 ASN 36 6.738 -7.537 -7.067 265 2HD2 ASN 36 1HD2 ASN 36 6.352 -5.860 -6.910 266 HA PRO 37 HA PRO 37 0.543 -11.712 -6.413 267 1HB PRO 37 1HB PRO 37 -1.691 -10.380 -7.060 268 2HB PRO 37 2HB PRO 37 -1.076 -10.431 -5.406 269 1HG PRO 37 1HG PRO 37 -0.954 -8.236 -7.405 270 2HG PRO 37 2HG PRO 37 -1.112 -8.148 -5.644 271 1HD PRO 37 1HD PRO 37 1.249 -7.789 -7.119 272 2HD PRO 37 2HD PRO 37 1.137 -8.049 -5.368 273 H PHE 38 H PHE 38 1.917 -9.791 -8.794 274 HA PHE 38 HA PHE 38 0.297 -10.937 -10.956 275 1HB PHE 38 1HB PHE 38 2.582 -9.013 -11.342 276 2HB PHE 38 2HB PHE 38 1.224 -9.329 -12.413 277 HD1 PHE 38 HD1 PHE 38 2.133 -7.808 -9.153 278 HD2 PHE 38 HD2 PHE 38 -0.693 -8.003 -12.332 279 HE1 PHE 38 HE1 PHE 38 0.966 -5.841 -8.233 280 HE2 PHE 38 HE2 PHE 38 -1.858 -6.035 -11.422 281 HZ PHE 38 HZ PHE 38 -1.031 -4.957 -9.369 282 H ARG 39 H ARG 39 3.572 -10.785 -9.698 283 HA ARG 39 HA ARG 39 4.577 -12.624 -11.716 284 1HB ARG 39 1HB ARG 39 6.768 -12.280 -10.633 285 2HB ARG 39 2HB ARG 39 6.009 -10.764 -11.090 286 1HG ARG 39 1HG ARG 39 6.545 -10.112 -9.016 287 2HG ARG 39 2HG ARG 39 5.138 -11.047 -8.522 288 1HD ARG 39 1HD ARG 39 6.385 -12.755 -7.682 289 2HD ARG 39 2HD ARG 39 7.716 -12.481 -8.804 290 HE ARG 39 HE ARG 39 7.752 -10.280 -7.215 291 1HH1 ARG 39 1HH1 ARG 39 7.830 -13.724 -6.537 292 2HH1 ARG 39 2HH1 ARG 39 8.750 -13.532 -5.082 293 1HH2 ARG 39 1HH2 ARG 39 8.956 -10.053 -5.309 294 2HH2 ARG 39 2HH2 ARG 39 9.386 -11.455 -4.388 295 HA PRO 40 HA PRO 40 4.034 -16.041 -8.831 296 1HB PRO 40 1HB PRO 40 4.501 -18.072 -10.477 297 2HB PRO 40 2HB PRO 40 3.075 -17.047 -10.685 298 1HG PRO 40 1HG PRO 40 5.635 -17.064 -12.215 299 2HG PRO 40 2HG PRO 40 3.981 -16.808 -12.796 300 1HD PRO 40 1HD PRO 40 5.857 -14.803 -12.215 301 2HD PRO 40 2HD PRO 40 4.114 -14.567 -12.439 302 H ASP 41 H ASP 41 7.006 -15.442 -10.612 303 HA ASP 41 HA ASP 41 8.535 -16.539 -8.406 304 1HB ASP 41 1HB ASP 41 9.885 -18.031 -9.854 305 2HB ASP 41 2HB ASP 41 8.204 -18.537 -9.730 306 H ASP 42 H ASP 42 8.192 -13.939 -10.084 307 HA ASP 42 HA ASP 42 10.915 -13.558 -11.045 308 1HB ASP 42 1HB ASP 42 8.789 -12.677 -12.202 309 2HB ASP 42 2HB ASP 42 8.781 -11.440 -10.948 310 H ASP 43 H ASP 43 12.475 -12.908 -9.696 311 HA ASP 43 HA ASP 43 11.769 -11.720 -7.141 312 1HB ASP 43 1HB ASP 43 14.190 -12.028 -6.632 313 2HB ASP 43 2HB ASP 43 13.376 -13.515 -7.111 314 H GLY 44 H GLY 44 11.269 -9.939 -9.299 315 1HA GLY 44 1HA GLY 44 13.441 -7.955 -9.028 316 2HA GLY 44 2HA GLY 44 12.305 -8.019 -10.364 317 H ILE 45 H ILE 45 11.844 -5.794 -10.004 318 HA ILE 45 HA ILE 45 10.054 -5.321 -7.700 319 HB ILE 45 HB ILE 45 11.609 -3.138 -9.084 320 1HG1 ILE 45 1HG1 ILE 45 13.225 -4.708 -8.087 321 2HG1 ILE 45 2HG1 ILE 45 13.196 -3.178 -7.215 322 1HG2 ILE 45 1HG2 ILE 45 10.195 -3.277 -6.427 323 2HG2 ILE 45 2HG2 ILE 45 11.093 -1.887 -7.036 324 3HG2 ILE 45 3HG2 ILE 45 9.637 -2.431 -7.869 325 1HD1 ILE 45 1HD1 ILE 45 11.501 -5.427 -6.259 326 2HD1 ILE 45 2HD1 ILE 45 13.233 -5.437 -5.929 327 3HD1 ILE 45 3HD1 ILE 45 12.233 -4.101 -5.357 328 H PHE 46 H PHE 46 8.059 -4.439 -8.140 329 HA PHE 46 HA PHE 46 7.527 -3.617 -10.924 330 1HB PHE 46 1HB PHE 46 5.651 -5.262 -9.217 331 2HB PHE 46 2HB PHE 46 5.393 -4.768 -10.887 332 HD1 PHE 46 HD1 PHE 46 7.719 -6.744 -8.757 333 HD2 PHE 46 HD2 PHE 46 5.996 -6.184 -12.609 334 HE1 PHE 46 HE1 PHE 46 8.772 -8.829 -9.528 335 HE2 PHE 46 HE2 PHE 46 7.048 -8.267 -13.385 336 HZ PHE 46 HZ PHE 46 8.438 -9.593 -11.843 337 H VAL 47 H VAL 47 5.919 -2.028 -11.219 338 HA VAL 47 HA VAL 47 5.432 -0.384 -8.847 339 HB VAL 47 HB VAL 47 4.835 0.326 -11.721 340 1HG1 VAL 47 1HG1 VAL 47 3.685 1.647 -9.980 341 2HG1 VAL 47 2HG1 VAL 47 5.255 2.081 -9.307 342 3HG1 VAL 47 3HG1 VAL 47 4.817 2.606 -10.932 343 1HG2 VAL 47 1HG2 VAL 47 7.259 -0.244 -11.270 344 2HG2 VAL 47 2HG2 VAL 47 6.949 1.373 -11.897 345 3HG2 VAL 47 3HG2 VAL 47 7.288 1.143 -10.181 346 H THR 48 H THR 48 3.835 -1.925 -8.036 347 HA THR 48 HA THR 48 1.588 -2.931 -9.068 348 HB THR 48 HB THR 48 2.181 -3.248 -6.758 349 HG1 THR 48 HG1 THR 48 -0.382 -2.051 -6.908 350 1HG2 THR 48 1HG2 THR 48 0.952 -0.738 -5.835 351 2HG2 THR 48 2HG2 THR 48 2.245 -1.705 -5.126 352 3HG2 THR 48 3HG2 THR 48 2.588 -0.635 -6.486 353 H ARG 49 H ARG 49 1.561 0.469 -7.807 354 HA ARG 49 HA ARG 49 -0.341 1.188 -9.848 355 1HB ARG 49 1HB ARG 49 -2.097 1.962 -8.254 356 2HB ARG 49 2HB ARG 49 -1.917 0.215 -8.336 357 1HG ARG 49 1HG ARG 49 -0.803 0.143 -6.244 358 2HG ARG 49 2HG ARG 49 -0.625 1.896 -6.204 359 1HD ARG 49 1HD ARG 49 -2.624 2.145 -5.249 360 2HD ARG 49 2HD ARG 49 -3.407 1.155 -6.481 361 HE ARG 49 HE ARG 49 -2.616 0.340 -3.843 362 1HH1 ARG 49 1HH1 ARG 49 -3.263 -0.815 -7.096 363 2HH1 ARG 49 2HH1 ARG 49 -3.632 -2.425 -6.572 364 1HH2 ARG 49 1HH2 ARG 49 -3.104 -1.776 -3.183 365 2HH2 ARG 49 2HH2 ARG 49 -3.542 -2.968 -4.361 366 H VAL 50 H VAL 50 -1.257 3.505 -9.303 367 HA VAL 50 HA VAL 50 0.928 5.163 -8.211 368 HB VAL 50 HB VAL 50 -0.669 5.955 -10.652 369 1HG1 VAL 50 1HG1 VAL 50 0.612 7.630 -9.167 370 2HG1 VAL 50 2HG1 VAL 50 2.056 6.937 -9.904 371 3HG1 VAL 50 3HG1 VAL 50 0.832 7.702 -10.915 372 1HG2 VAL 50 1HG2 VAL 50 0.613 3.881 -11.134 373 2HG2 VAL 50 2HG2 VAL 50 1.150 5.273 -12.074 374 3HG2 VAL 50 3HG2 VAL 50 2.090 4.733 -10.683 375 H GLN 51 H GLN 51 0.285 7.148 -7.244 376 HA GLN 51 HA GLN 51 -2.540 7.211 -6.491 377 1HB GLN 51 1HB GLN 51 -0.026 8.122 -5.225 378 2HB GLN 51 2HB GLN 51 -1.435 9.138 -4.951 379 1HG GLN 51 1HG GLN 51 -1.690 6.204 -4.549 380 2HG GLN 51 2HG GLN 51 -0.840 7.160 -3.336 381 1HE2 GLN 51 2HE2 GLN 51 -3.693 5.833 -3.965 382 2HE2 GLN 51 1HE2 GLN 51 -4.753 6.947 -3.177 383 HA PRO 52 HA PRO 52 -2.219 11.650 -8.112 384 1HB PRO 52 1HB PRO 52 0.090 12.863 -8.661 385 2HB PRO 52 2HB PRO 52 -0.461 12.677 -6.990 386 1HG PRO 52 1HG PRO 52 1.546 11.054 -8.510 387 2HG PRO 52 2HG PRO 52 1.644 11.685 -6.855 388 1HD PRO 52 1HD PRO 52 0.923 9.108 -7.463 389 2HD PRO 52 2HD PRO 52 0.409 9.960 -5.994 390 H GLU 53 H GLU 53 -3.034 11.621 -10.119 391 HA GLU 53 HA GLU 53 -1.739 10.157 -12.230 392 1HB GLU 53 1HB GLU 53 -4.269 11.812 -12.181 393 2HB GLU 53 2HB GLU 53 -3.723 10.883 -13.572 394 1HG GLU 53 1HG GLU 53 -3.785 8.846 -12.111 395 2HG GLU 53 2HG GLU 53 -4.567 9.839 -10.883 396 H GLY 54 H GLY 54 0.202 11.718 -11.918 397 1HA GLY 54 1HA GLY 54 0.142 13.545 -14.163 398 2HA GLY 54 2HA GLY 54 0.382 14.322 -12.608 399 HA PRO 55 HA PRO 55 4.730 13.603 -12.623 400 1HB PRO 55 1HB PRO 55 5.281 11.987 -10.440 401 2HB PRO 55 2HB PRO 55 5.063 13.739 -10.381 402 1HG PRO 55 1HG PRO 55 3.108 11.564 -9.768 403 2HG PRO 55 2HG PRO 55 3.380 13.101 -8.927 404 1HD PRO 55 1HD PRO 55 1.306 12.777 -10.585 405 2HD PRO 55 2HD PRO 55 2.184 14.318 -10.503 406 H ALA 56 H ALA 56 3.911 10.431 -11.224 407 HA ALA 56 HA ALA 56 5.222 9.174 -13.544 408 1HB ALA 56 1HB ALA 56 5.181 8.480 -10.632 409 2HB ALA 56 2HB ALA 56 5.502 7.236 -11.841 410 3HB ALA 56 3HB ALA 56 6.557 8.644 -11.725 411 H SER 57 H SER 57 2.622 9.800 -13.924 412 HA SER 57 HA SER 57 1.133 7.297 -13.484 413 1HB SER 57 1HB SER 57 -0.894 8.593 -13.879 414 2HB SER 57 2HB SER 57 0.070 9.370 -12.624 415 HG SER 57 HG SER 57 0.778 10.866 -14.145 416 H LYS 58 H LYS 58 1.742 9.801 -15.925 417 HA LYS 58 HA LYS 58 0.710 8.165 -18.051 418 1HB LYS 58 1HB LYS 58 2.214 10.782 -18.161 419 2HB LYS 58 2HB LYS 58 1.362 10.029 -19.504 420 1HG LYS 58 1HG LYS 58 0.051 10.907 -16.939 421 2HG LYS 58 2HG LYS 58 0.108 11.872 -18.415 422 1HD LYS 58 1HD LYS 58 -1.520 10.672 -19.402 423 2HD LYS 58 2HD LYS 58 -0.880 9.138 -18.813 424 1HE LYS 58 1HE LYS 58 -2.102 10.897 -16.782 425 2HE LYS 58 2HE LYS 58 -3.205 10.220 -17.980 426 1HZ LYS 58 1HZ LYS 58 -1.286 8.537 -16.485 427 2HZ LYS 58 2HZ LYS 58 -2.831 8.880 -15.888 428 3HZ LYS 58 3HZ LYS 58 -2.653 8.047 -17.352 429 H LEU 59 H LEU 59 3.741 8.253 -16.465 430 HA LEU 59 HA LEU 59 5.195 7.451 -18.873 431 1HB LEU 59 1HB LEU 59 6.136 8.008 -16.061 432 2HB LEU 59 2HB LEU 59 7.186 7.476 -17.362 433 HG LEU 59 HG LEU 59 5.990 9.658 -18.501 434 1HD1 LEU 59 1HD1 LEU 59 4.855 10.253 -16.429 435 2HD1 LEU 59 2HD1 LEU 59 6.405 10.308 -15.590 436 3HD1 LEU 59 3HD1 LEU 59 6.055 11.467 -16.873 437 1HD2 LEU 59 1HD2 LEU 59 8.417 9.055 -18.416 438 2HD2 LEU 59 2HD2 LEU 59 8.079 10.776 -18.233 439 3HD2 LEU 59 3HD2 LEU 59 8.485 9.803 -16.820 440 H LEU 60 H LEU 60 4.763 6.236 -15.541 441 HA LEU 60 HA LEU 60 5.525 3.566 -16.433 442 1HB LEU 60 1HB LEU 60 4.943 4.696 -13.697 443 2HB LEU 60 2HB LEU 60 5.353 3.015 -13.992 444 HG LEU 60 HG LEU 60 7.338 4.715 -15.221 445 1HD1 LEU 60 1HD1 LEU 60 6.647 6.349 -13.507 446 2HD1 LEU 60 2HD1 LEU 60 7.005 5.155 -12.259 447 3HD1 LEU 60 3HD1 LEU 60 8.300 5.774 -13.283 448 1HD2 LEU 60 1HD2 LEU 60 7.441 2.277 -14.383 449 2HD2 LEU 60 2HD2 LEU 60 8.860 3.304 -14.176 450 3HD2 LEU 60 3HD2 LEU 60 7.788 2.995 -12.811 451 H GLN 61 H GLN 61 4.218 1.751 -16.266 452 HA GLN 61 HA GLN 61 1.332 2.300 -15.983 453 1HB GLN 61 1HB GLN 61 2.659 0.080 -17.554 454 2HB GLN 61 2HB GLN 61 0.939 0.437 -17.502 455 1HG GLN 61 1HG GLN 61 1.446 2.660 -18.508 456 2HG GLN 61 2HG GLN 61 3.114 2.127 -18.705 457 1HE2 GLN 61 2HE2 GLN 61 3.213 -0.153 -19.763 458 2HE2 GLN 61 1HE2 GLN 61 2.257 -0.330 -21.191 459 HA PRO 62 HA PRO 62 1.291 -0.317 -12.383 460 1HB PRO 62 1HB PRO 62 -1.350 -1.295 -13.323 461 2HB PRO 62 2HB PRO 62 -0.904 -0.556 -11.782 462 1HG PRO 62 1HG PRO 62 -2.293 0.805 -13.613 463 2HG PRO 62 2HG PRO 62 -1.064 1.596 -12.609 464 1HD PRO 62 1HD PRO 62 -0.915 0.736 -15.467 465 2HD PRO 62 2HD PRO 62 -0.232 2.175 -14.685 466 H GLY 63 H GLY 63 2.333 -2.173 -12.154 467 1HA GLY 63 1HA GLY 63 2.576 -4.506 -12.308 468 2HA GLY 63 2HA GLY 63 1.528 -4.502 -13.716 469 H ASP 64 H ASP 64 4.110 -2.187 -13.681 470 HA ASP 64 HA ASP 64 5.414 -3.679 -15.829 471 1HB ASP 64 1HB ASP 64 5.523 -0.815 -14.912 472 2HB ASP 64 2HB ASP 64 6.765 -1.465 -15.976 473 H LYS 65 H LYS 65 7.736 -3.948 -15.845 474 HA LYS 65 HA LYS 65 8.766 -4.423 -13.144 475 1HB LYS 65 1HB LYS 65 8.688 -6.313 -14.725 476 2HB LYS 65 2HB LYS 65 9.756 -5.435 -15.807 477 1HG LYS 65 1HG LYS 65 11.527 -5.496 -14.145 478 2HG LYS 65 2HG LYS 65 10.452 -6.328 -13.020 479 1HD LYS 65 1HD LYS 65 10.373 -8.265 -14.384 480 2HD LYS 65 2HD LYS 65 11.124 -7.425 -15.741 481 1HE LYS 65 1HE LYS 65 12.642 -8.981 -14.503 482 2HE LYS 65 2HE LYS 65 13.222 -7.320 -14.611 483 1HZ LYS 65 1HZ LYS 65 11.757 -8.371 -12.263 484 2HZ LYS 65 2HZ LYS 65 13.443 -8.396 -12.385 485 3HZ LYS 65 3HZ LYS 65 12.616 -6.919 -12.381 486 H ILE 66 H ILE 66 10.304 -3.195 -12.291 487 HA ILE 66 HA ILE 66 11.611 -1.172 -13.935 488 HB ILE 66 HB ILE 66 11.843 -1.595 -10.946 489 1HG1 ILE 66 1HG1 ILE 66 10.013 0.300 -12.438 490 2HG1 ILE 66 2HG1 ILE 66 9.493 -1.212 -11.703 491 1HG2 ILE 66 1HG2 ILE 66 12.525 0.728 -12.746 492 2HG2 ILE 66 2HG2 ILE 66 12.481 0.822 -10.986 493 3HG2 ILE 66 3HG2 ILE 66 13.636 -0.246 -11.782 494 1HD1 ILE 66 1HD1 ILE 66 10.930 0.509 -9.854 495 2HD1 ILE 66 2HD1 ILE 66 9.473 1.253 -10.512 496 3HD1 ILE 66 3HD1 ILE 66 9.371 -0.299 -9.680 497 H ILE 67 H ILE 67 13.565 -1.530 -14.804 498 HA ILE 67 HA ILE 67 15.147 -3.782 -13.828 499 HB ILE 67 HB ILE 67 15.733 -2.127 -16.274 500 1HG1 ILE 67 1HG1 ILE 67 13.456 -2.971 -16.512 501 2HG1 ILE 67 2HG1 ILE 67 14.538 -3.867 -17.575 502 1HG2 ILE 67 1HG2 ILE 67 17.538 -3.551 -15.461 503 2HG2 ILE 67 2HG2 ILE 67 16.465 -4.950 -15.518 504 3HG2 ILE 67 3HG2 ILE 67 16.917 -4.125 -17.009 505 1HD1 ILE 67 1HD1 ILE 67 14.618 -5.666 -15.869 506 2HD1 ILE 67 2HD1 ILE 67 13.397 -4.784 -14.951 507 3HD1 ILE 67 3HD1 ILE 67 13.018 -5.398 -16.561 508 H GLN 68 H GLN 68 15.541 -0.279 -14.408 509 HA GLN 68 HA GLN 68 17.778 -0.287 -12.533 510 1HB GLN 68 1HB GLN 68 18.717 -0.703 -14.802 511 2HB GLN 68 2HB GLN 68 18.055 0.839 -15.321 512 1HG GLN 68 1HG GLN 68 19.736 0.969 -12.924 513 2HG GLN 68 2HG GLN 68 20.569 0.461 -14.392 514 1HE2 GLN 68 2HE2 GLN 68 20.551 1.868 -16.205 515 2HE2 GLN 68 1HE2 GLN 68 20.338 3.570 -15.994 516 H ALA 69 H ALA 69 18.356 1.788 -11.718 517 HA ALA 69 HA ALA 69 16.595 4.021 -12.409 518 1HB ALA 69 1HB ALA 69 15.572 2.737 -10.522 519 2HB ALA 69 2HB ALA 69 16.985 3.155 -9.553 520 3HB ALA 69 3HB ALA 69 15.924 4.427 -10.159 521 H ASN 70 H ASN 70 17.742 5.809 -12.668 522 HA ASN 70 HA ASN 70 19.554 7.213 -12.783 523 1HB ASN 70 1HB ASN 70 18.843 6.832 -9.922 524 2HB ASN 70 2HB ASN 70 20.277 7.785 -10.290 525 1HD2 ASN 70 2HD2 ASN 70 18.622 9.256 -9.093 526 2HD2 ASN 70 1HD2 ASN 70 17.656 10.246 -10.128 527 H GLY 71 H GLY 71 20.463 4.542 -13.189 528 1HA GLY 71 1HA GLY 71 22.683 3.869 -13.637 529 2HA GLY 71 2HA GLY 71 23.237 4.898 -12.330 530 H TYR 72 H TYR 72 20.908 3.548 -10.694 531 HA TYR 72 HA TYR 72 22.614 1.389 -9.727 532 1HB TYR 72 1HB TYR 72 20.203 2.815 -8.624 533 2HB TYR 72 2HB TYR 72 20.757 1.299 -7.922 534 HD1 TYR 72 HD1 TYR 72 22.905 1.178 -6.753 535 HD2 TYR 72 HD2 TYR 72 21.465 4.854 -8.339 536 HE1 TYR 72 HE1 TYR 72 24.547 2.403 -5.392 537 HE2 TYR 72 HE2 TYR 72 23.103 6.088 -6.983 538 HH TYR 72 HH TYR 72 24.564 5.005 -4.426 539 H SER 73 H SER 73 22.300 -0.658 -10.294 540 HA SER 73 HA SER 73 20.112 -1.442 -11.942 541 1HB SER 73 1HB SER 73 22.059 -3.272 -10.530 542 2HB SER 73 2HB SER 73 21.143 -3.608 -11.998 543 HG SER 73 HG SER 73 23.326 -3.026 -12.426 544 H PHE 74 H PHE 74 18.214 -2.353 -11.419 545 HA PHE 74 HA PHE 74 17.710 -2.916 -8.578 546 1HB PHE 74 1HB PHE 74 16.019 -1.916 -10.821 547 2HB PHE 74 2HB PHE 74 15.240 -2.845 -9.545 548 HD1 PHE 74 HD1 PHE 74 17.962 -0.293 -9.491 549 HD2 PHE 74 HD2 PHE 74 14.068 -1.414 -8.191 550 HE1 PHE 74 HE1 PHE 74 17.849 1.730 -8.093 551 HE2 PHE 74 HE2 PHE 74 13.948 0.607 -6.793 552 HZ PHE 74 HZ PHE 74 15.840 2.181 -6.743 553 H ILE 75 H ILE 75 18.759 -4.787 -10.921 554 HA ILE 75 HA ILE 75 16.681 -6.825 -10.830 555 HB ILE 75 HB ILE 75 17.783 -6.359 -12.982 556 1HG1 ILE 75 1HG1 ILE 75 18.484 -8.781 -13.462 557 2HG1 ILE 75 2HG1 ILE 75 18.132 -9.092 -11.765 558 1HG2 ILE 75 1HG2 ILE 75 20.002 -5.765 -12.163 559 2HG2 ILE 75 2HG2 ILE 75 20.278 -7.437 -11.675 560 3HG2 ILE 75 3HG2 ILE 75 20.094 -7.037 -13.382 561 1HD1 ILE 75 1HD1 ILE 75 16.183 -8.033 -13.799 562 2HD1 ILE 75 2HD1 ILE 75 16.257 -9.688 -13.194 563 3HD1 ILE 75 3HD1 ILE 75 15.833 -8.369 -12.104 564 H ASN 76 H ASN 76 16.693 -8.478 -9.462 565 HA ASN 76 HA ASN 76 17.321 -9.943 -7.845 566 1HB ASN 76 1HB ASN 76 19.987 -9.592 -9.225 567 2HB ASN 76 2HB ASN 76 19.735 -10.728 -7.900 568 1HD2 ASN 76 2HD2 ASN 76 19.687 -10.333 -11.197 569 2HD2 ASN 76 1HD2 ASN 76 18.788 -11.744 -11.627 570 H ILE 77 H ILE 77 16.768 -8.020 -6.485 571 HA ILE 77 HA ILE 77 18.955 -7.541 -4.629 572 HB ILE 77 HB ILE 77 18.471 -5.112 -4.495 573 1HG1 ILE 77 1HG1 ILE 77 17.166 -5.235 -7.181 574 2HG1 ILE 77 2HG1 ILE 77 16.184 -5.548 -5.752 575 1HG2 ILE 77 1HG2 ILE 77 20.386 -5.939 -5.764 576 2HG2 ILE 77 2HG2 ILE 77 19.382 -6.055 -7.209 577 3HG2 ILE 77 3HG2 ILE 77 19.717 -4.479 -6.492 578 1HD1 ILE 77 1HD1 ILE 77 17.855 -3.078 -6.124 579 2HD1 ILE 77 2HD1 ILE 77 16.148 -3.193 -6.549 580 3HD1 ILE 77 3HD1 ILE 77 16.653 -3.386 -4.872 581 H GLU 78 H GLU 78 18.179 -6.495 -2.613 582 HA GLU 78 HA GLU 78 15.685 -7.704 -1.812 583 1HB GLU 78 1HB GLU 78 17.678 -6.046 -0.251 584 2HB GLU 78 2HB GLU 78 16.287 -6.867 0.445 585 1HG GLU 78 1HG GLU 78 17.438 -8.934 -0.810 586 2HG GLU 78 2HG GLU 78 18.866 -7.955 -0.479 587 H HIS 79 H HIS 79 13.829 -6.661 -1.148 588 HA HIS 79 HA HIS 79 12.997 -4.396 -2.477 589 1HB HIS 79 1HB HIS 79 11.663 -6.171 -1.090 590 2HB HIS 79 2HB HIS 79 11.832 -4.998 0.213 591 HD1 HIS 79 HD1 HIS 79 9.478 -4.131 0.344 592 HD2 HIS 79 HD2 HIS 79 11.001 -4.051 -3.522 593 HE1 HIS 79 HE1 HIS 79 7.785 -2.867 -1.021 594 HE2 HIS 79 HE2 HIS 79 8.774 -2.751 -3.335 595 H GLY 80 H GLY 80 14.048 -4.525 0.950 596 1HA GLY 80 1HA GLY 80 13.748 -1.843 1.594 597 2HA GLY 80 2HA GLY 80 14.953 -2.905 2.307 598 H GLN 81 H GLN 81 16.236 -3.332 -0.347 599 HA GLN 81 HA GLN 81 18.063 -1.127 -0.228 600 1HB GLN 81 1HB GLN 81 18.623 -3.556 -0.809 601 2HB GLN 81 2HB GLN 81 17.938 -3.223 -2.394 602 1HG GLN 81 1HG GLN 81 20.297 -2.977 -2.541 603 2HG GLN 81 2HG GLN 81 19.573 -1.372 -2.648 604 1HE2 GLN 81 2HE2 GLN 81 21.406 -0.310 -1.969 605 2HE2 GLN 81 1HE2 GLN 81 21.989 -0.391 -0.345 606 H ALA 82 H ALA 82 15.506 -2.203 -2.390 607 HA ALA 82 HA ALA 82 15.950 -0.314 -4.446 608 1HB ALA 82 1HB ALA 82 13.438 -1.790 -3.676 609 2HB ALA 82 2HB ALA 82 13.667 -0.891 -5.175 610 3HB ALA 82 3HB ALA 82 14.652 -2.314 -4.841 611 H VAL 83 H VAL 83 13.537 -0.341 -1.809 612 HA VAL 83 HA VAL 83 12.390 2.148 -2.354 613 HB VAL 83 HB VAL 83 12.688 0.959 0.406 614 1HG1 VAL 83 1HG1 VAL 83 11.813 3.286 0.223 615 2HG1 VAL 83 2HG1 VAL 83 10.478 2.657 -0.742 616 3HG1 VAL 83 3HG1 VAL 83 10.674 2.143 0.934 617 1HG2 VAL 83 1HG2 VAL 83 10.820 0.245 -1.833 618 2HG2 VAL 83 2HG2 VAL 83 11.812 -0.822 -0.839 619 3HG2 VAL 83 3HG2 VAL 83 10.394 -0.035 -0.145 620 H SER 84 H SER 84 15.128 1.314 -0.260 621 HA SER 84 HA SER 84 15.554 3.846 0.858 622 1HB SER 84 1HB SER 84 16.603 1.767 1.693 623 2HB SER 84 2HB SER 84 17.615 1.714 0.249 624 HG SER 84 HG SER 84 18.527 2.713 2.225 625 H LEU 85 H LEU 85 16.801 2.405 -2.127 626 HA LEU 85 HA LEU 85 18.589 4.484 -2.784 627 1HB LEU 85 1HB LEU 85 17.237 2.318 -4.352 628 2HB LEU 85 2HB LEU 85 18.185 3.543 -5.177 629 HG LEU 85 HG LEU 85 19.224 1.693 -3.029 630 1HD1 LEU 85 1HD1 LEU 85 19.534 1.675 -6.024 631 2HD1 LEU 85 2HD1 LEU 85 20.537 0.732 -4.920 632 3HD1 LEU 85 3HD1 LEU 85 18.801 0.430 -5.010 633 1HD2 LEU 85 1HD2 LEU 85 20.525 3.845 -4.679 634 2HD2 LEU 85 2HD2 LEU 85 20.460 3.708 -2.923 635 3HD2 LEU 85 3HD2 LEU 85 21.439 2.578 -3.859 636 H LEU 86 H LEU 86 15.231 3.878 -3.759 637 HA LEU 86 HA LEU 86 14.988 6.052 -5.518 638 1HB LEU 86 1HB LEU 86 13.022 4.397 -3.981 639 2HB LEU 86 2HB LEU 86 12.479 5.780 -4.915 640 HG LEU 86 HG LEU 86 14.021 3.450 -6.055 641 1HD1 LEU 86 1HD1 LEU 86 11.688 2.951 -5.213 642 2HD1 LEU 86 2HD1 LEU 86 11.108 4.064 -6.453 643 3HD1 LEU 86 3HD1 LEU 86 11.996 2.612 -6.916 644 1HD2 LEU 86 1HD2 LEU 86 12.689 5.841 -7.313 645 2HD2 LEU 86 2HD2 LEU 86 14.405 5.430 -7.339 646 3HD2 LEU 86 3HD2 LEU 86 13.244 4.431 -8.215 647 H LYS 87 H LYS 87 14.428 5.802 -2.048 648 HA LYS 87 HA LYS 87 13.185 8.311 -1.722 649 1HB LYS 87 1HB LYS 87 14.698 6.559 0.209 650 2HB LYS 87 2HB LYS 87 13.849 8.021 0.692 651 1HG LYS 87 1HG LYS 87 12.135 6.302 -0.871 652 2HG LYS 87 2HG LYS 87 12.814 5.434 0.505 653 1HD LYS 87 1HD LYS 87 11.995 7.183 2.013 654 2HD LYS 87 2HD LYS 87 11.330 8.063 0.635 655 1HE LYS 87 1HE LYS 87 9.731 6.369 0.208 656 2HE LYS 87 2HE LYS 87 10.535 5.237 1.296 657 1HZ LYS 87 1HZ LYS 87 9.240 7.763 2.168 658 2HZ LYS 87 2HZ LYS 87 8.506 6.240 2.238 659 3HZ LYS 87 3HZ LYS 87 9.884 6.559 3.166 660 H THR 88 H THR 88 16.605 7.342 -1.523 661 HA THR 88 HA THR 88 17.510 9.841 -0.545 662 HB THR 88 HB THR 88 18.784 7.820 -0.182 663 HG1 THR 88 HG1 THR 88 20.661 8.781 -0.429 664 1HG2 THR 88 1HG2 THR 88 20.155 6.980 -2.194 665 2HG2 THR 88 2HG2 THR 88 18.498 6.415 -1.988 666 3HG2 THR 88 3HG2 THR 88 18.858 7.680 -3.161 667 H PHE 89 H PHE 89 16.954 8.676 -3.821 668 HA PHE 89 HA PHE 89 18.660 10.227 -5.312 669 1HB PHE 89 1HB PHE 89 15.826 9.398 -5.879 670 2HB PHE 89 2HB PHE 89 16.786 10.285 -7.056 671 HD1 PHE 89 HD1 PHE 89 19.462 8.951 -6.602 672 HD2 PHE 89 HD2 PHE 89 15.523 7.365 -6.931 673 HE1 PHE 89 HE1 PHE 89 20.388 6.822 -7.406 674 HE2 PHE 89 HE2 PHE 89 16.447 5.235 -7.734 675 HZ PHE 89 HZ PHE 89 18.881 4.959 -7.972 676 H GLN 90 H GLN 90 17.920 12.051 -6.838 677 HA GLN 90 HA GLN 90 17.260 14.308 -5.144 678 1HB GLN 90 1HB GLN 90 18.193 14.193 -8.022 679 2HB GLN 90 2HB GLN 90 18.098 15.643 -7.032 680 1HG GLN 90 1HG GLN 90 20.271 15.216 -6.676 681 2HG GLN 90 2HG GLN 90 19.640 14.113 -5.455 682 1HE2 GLN 90 2HE2 GLN 90 20.162 12.037 -5.591 683 2HE2 GLN 90 1HE2 GLN 90 20.929 11.281 -6.942 684 H ASN 91 H ASN 91 16.256 15.744 -7.822 685 HA ASN 91 HA ASN 91 13.474 15.262 -7.245 686 1HB ASN 91 1HB ASN 91 14.835 17.128 -9.198 687 2HB ASN 91 2HB ASN 91 13.098 17.079 -8.917 688 1HD2 ASN 91 2HD2 ASN 91 12.401 17.432 -6.658 689 2HD2 ASN 91 1HD2 ASN 91 13.277 18.583 -5.713 690 H THR 92 H THR 92 15.341 15.300 -10.293 691 HA THR 92 HA THR 92 13.297 13.714 -11.591 692 HB THR 92 HB THR 92 15.142 13.819 -13.493 693 HG1 THR 92 HG1 THR 92 15.808 16.155 -12.030 694 1HG2 THR 92 1HG2 THR 92 13.652 16.320 -12.734 695 2HG2 THR 92 2HG2 THR 92 14.201 15.840 -14.340 696 3HG2 THR 92 3HG2 THR 92 12.921 14.931 -13.538 697 H VAL 93 H VAL 93 13.308 11.591 -11.880 698 HA VAL 93 HA VAL 93 15.799 10.101 -11.345 699 HB VAL 93 HB VAL 93 13.029 9.066 -10.731 700 1HG1 VAL 93 1HG1 VAL 93 14.785 7.391 -11.138 701 2HG1 VAL 93 2HG1 VAL 93 15.750 8.112 -9.850 702 3HG1 VAL 93 3HG1 VAL 93 14.198 7.360 -9.475 703 1HG2 VAL 93 1HG2 VAL 93 13.545 11.028 -9.317 704 2HG2 VAL 93 2HG2 VAL 93 13.435 9.531 -8.392 705 3HG2 VAL 93 3HG2 VAL 93 15.014 10.220 -8.771 706 H GLU 94 H GLU 94 16.487 9.025 -13.074 707 HA GLU 94 HA GLU 94 14.657 8.536 -15.290 708 1HB GLU 94 1HB GLU 94 17.646 8.471 -14.992 709 2HB GLU 94 2HB GLU 94 16.860 7.780 -16.405 710 1HG GLU 94 1HG GLU 94 16.170 10.557 -15.604 711 2HG GLU 94 2HG GLU 94 17.720 10.257 -16.391 712 H LEU 95 H LEU 95 13.435 6.766 -14.595 713 HA LEU 95 HA LEU 95 14.833 4.329 -13.809 714 1HB LEU 95 1HB LEU 95 11.860 4.663 -14.138 715 2HB LEU 95 2HB LEU 95 12.716 3.471 -13.178 716 HG LEU 95 HG LEU 95 13.065 6.341 -12.459 717 1HD1 LEU 95 1HD1 LEU 95 10.652 6.140 -12.811 718 2HD1 LEU 95 2HD1 LEU 95 10.615 4.733 -11.750 719 3HD1 LEU 95 3HD1 LEU 95 11.045 6.315 -11.100 720 1HD2 LEU 95 1HD2 LEU 95 14.265 4.447 -11.351 721 2HD2 LEU 95 2HD2 LEU 95 13.313 5.455 -10.261 722 3HD2 LEU 95 3HD2 LEU 95 12.702 3.879 -10.764 723 H ILE 96 H ILE 96 14.434 2.305 -14.842 724 HA ILE 96 HA ILE 96 13.715 2.532 -17.697 725 HB ILE 96 HB ILE 96 15.677 0.599 -16.421 726 1HG1 ILE 96 1HG1 ILE 96 16.167 2.897 -18.324 727 2HG1 ILE 96 2HG1 ILE 96 16.505 2.927 -16.597 728 1HG2 ILE 96 1HG2 ILE 96 14.455 -0.363 -18.353 729 2HG2 ILE 96 2HG2 ILE 96 15.043 0.970 -19.347 730 3HG2 ILE 96 3HG2 ILE 96 16.184 -0.179 -18.647 731 1HD1 ILE 96 1HD1 ILE 96 17.892 0.737 -17.320 732 2HD1 ILE 96 2HD1 ILE 96 17.998 1.688 -18.800 733 3HD1 ILE 96 3HD1 ILE 96 18.568 2.366 -17.275 734 H ILE 97 H ILE 97 12.006 1.358 -18.343 735 HA ILE 97 HA ILE 97 11.077 -0.832 -16.591 736 HB ILE 97 HB ILE 97 8.759 -0.248 -17.217 737 1HG1 ILE 97 1HG1 ILE 97 9.955 2.283 -18.367 738 2HG1 ILE 97 2HG1 ILE 97 9.381 0.935 -19.346 739 1HG2 ILE 97 1HG2 ILE 97 10.470 1.780 -15.816 740 2HG2 ILE 97 2HG2 ILE 97 8.717 1.954 -15.914 741 3HG2 ILE 97 3HG2 ILE 97 9.421 0.546 -15.118 742 1HD1 ILE 97 1HD1 ILE 97 7.559 2.210 -17.359 743 2HD1 ILE 97 2HD1 ILE 97 7.845 2.974 -18.923 744 3HD1 ILE 97 3HD1 ILE 97 7.173 1.346 -18.847 745 H VAL 98 H VAL 98 9.684 -2.424 -17.674 746 HA VAL 98 HA VAL 98 10.210 -2.701 -20.552 747 HB VAL 98 HB VAL 98 10.569 -4.952 -18.561 748 1HG1 VAL 98 1HG1 VAL 98 9.844 -5.388 -21.020 749 2HG1 VAL 98 2HG1 VAL 98 11.521 -4.995 -21.394 750 3HG1 VAL 98 3HG1 VAL 98 11.151 -6.338 -20.314 751 1HG2 VAL 98 1HG2 VAL 98 12.326 -3.226 -18.363 752 2HG2 VAL 98 2HG2 VAL 98 12.944 -4.774 -18.939 753 3HG2 VAL 98 3HG2 VAL 98 12.698 -3.445 -20.073 754 H ARG 99 H ARG 99 8.598 -3.628 -21.722 755 HA ARG 99 HA ARG 99 6.160 -4.413 -20.260 756 1HB ARG 99 1HB ARG 99 6.585 -3.053 -22.908 757 2HB ARG 99 2HB ARG 99 5.100 -3.943 -22.598 758 1HG ARG 99 1HG ARG 99 4.480 -1.831 -21.978 759 2HG ARG 99 2HG ARG 99 5.027 -2.483 -20.431 760 1HD ARG 99 1HD ARG 99 6.951 -1.226 -20.427 761 2HD ARG 99 2HD ARG 99 6.993 -1.090 -22.185 762 HE ARG 99 HE ARG 99 5.602 0.633 -20.332 763 1HH1 ARG 99 1HH1 ARG 99 5.834 -0.415 -23.674 764 2HH1 ARG 99 2HH1 ARG 99 5.091 1.021 -24.295 765 1HH2 ARG 99 1HH2 ARG 99 4.629 2.505 -21.169 766 2HH2 ARG 99 2HH2 ARG 99 4.411 2.671 -22.879 767 H GLU 100 H GLU 100 6.162 -6.581 -20.113 768 HA GLU 100 HA GLU 100 7.496 -8.345 -21.821 769 1HB GLU 100 1HB GLU 100 5.102 -8.912 -20.070 770 2HB GLU 100 2HB GLU 100 6.209 -10.114 -20.723 771 1HG GLU 100 1HG GLU 100 7.296 -7.901 -19.055 772 2HG GLU 100 2HG GLU 100 6.461 -9.241 -18.271 773 H VAL 101 H VAL 101 7.031 -9.241 -23.721 774 HA VAL 101 HA VAL 101 4.460 -8.590 -24.967 775 HB VAL 101 HB VAL 101 5.576 -9.400 -27.072 776 1HG1 VAL 101 1HG1 VAL 101 5.465 -6.998 -26.281 777 2HG1 VAL 101 2HG1 VAL 101 7.134 -7.198 -25.747 778 3HG1 VAL 101 3HG1 VAL 101 6.727 -7.378 -27.453 779 1HG2 VAL 101 1HG2 VAL 101 7.274 -10.770 -25.738 780 2HG2 VAL 101 2HG2 VAL 101 7.861 -9.892 -27.150 781 3HG2 VAL 101 3HG2 VAL 101 8.146 -9.251 -25.532 782 H SER 102 H SER 102 3.319 -10.222 -26.202 783 HA SER 102 HA SER 102 3.957 -12.996 -25.871 784 1HB SER 102 1HB SER 102 1.875 -13.561 -24.603 785 2HB SER 102 2HB SER 102 3.045 -12.640 -23.657 786 HG SER 102 HG SER 102 1.713 -10.991 -23.595 787 H SER 103 H SER 103 3.648 -13.407 -27.989 788 HA SER 103 HA SER 103 0.956 -13.512 -28.977 789 1HB SER 103 1HB SER 103 1.560 -11.141 -29.434 790 2HB SER 103 2HB SER 103 2.914 -11.704 -30.414 791 HG SER 103 HG SER 103 0.206 -11.670 -30.975 792 1H THR 301 1H THR 301 -2.559 -0.209 5.225 793 2H THR 301 2H THR 301 -3.190 -0.214 3.630 794 3H THR 301 3H THR 301 -2.241 1.107 4.175 795 HA THR 301 HA THR 301 -0.952 -0.245 2.761 796 HB THR 301 HB THR 301 0.799 -0.927 4.520 797 HG1 THR 301 HG1 THR 301 0.362 -0.426 6.601 798 1HG2 THR 301 1HG2 THR 301 1.285 1.375 5.188 799 2HG2 THR 301 2HG2 THR 301 0.907 1.248 3.471 800 3HG2 THR 301 3HG2 THR 301 -0.299 1.872 4.596 801 H GLY 302 H GLY 302 -1.240 -2.101 1.714 802 1HA GLY 302 1HA GLY 302 -2.010 -4.496 3.231 803 2HA GLY 302 2HA GLY 302 -2.198 -4.275 1.499 804 H TRP 303 H TRP 303 -0.068 -4.045 0.274 805 HA TRP 303 HA TRP 303 2.148 -5.480 1.505 806 1HB TRP 303 1HB TRP 303 2.234 -6.965 -0.633 807 2HB TRP 303 2HB TRP 303 1.135 -7.400 0.668 808 HD1 TRP 303 HD1 TRP 303 -1.378 -7.608 0.074 809 HE1 TRP 303 HE1 TRP 303 -2.777 -7.244 -2.052 810 HE3 TRP 303 HE3 TRP 303 2.159 -5.360 -2.862 811 HZ2 TRP 303 HZ2 TRP 303 -2.434 -6.154 -4.627 812 HZ3 TRP 303 HZ3 TRP 303 1.538 -4.689 -5.145 813 HH2 TRP 303 HH2 TRP 303 -0.712 -5.079 -6.009 814 H GLU 304 H GLU 304 1.545 -2.757 0.205 815 HA GLU 304 HA GLU 304 3.813 -2.811 -1.690 816 1HB GLU 304 1HB GLU 304 2.707 -0.839 -2.795 817 2HB GLU 304 2HB GLU 304 1.847 -2.364 -2.972 818 1HG GLU 304 1HG GLU 304 0.328 -1.712 -1.172 819 2HG GLU 304 2HG GLU 304 1.183 -0.178 -1.013 820 H THR 305 H THR 305 4.721 -0.518 -1.988 821 HA THR 305 HA THR 305 4.710 1.012 0.510 822 HB THR 305 HB THR 305 7.293 0.289 -0.875 823 HG1 THR 305 HG1 THR 305 6.096 -0.959 1.374 824 1HG2 THR 305 1HG2 THR 305 6.788 1.251 1.928 825 2HG2 THR 305 2HG2 THR 305 8.351 0.961 1.166 826 3HG2 THR 305 3HG2 THR 305 7.320 2.272 0.593 827 H TRP 306 H TRP 306 4.301 3.061 0.022 828 HA TRP 306 HA TRP 306 4.666 4.012 -2.688 829 1HB TRP 306 1HB TRP 306 3.439 5.262 -0.228 830 2HB TRP 306 2HB TRP 306 3.562 6.093 -1.777 831 HD1 TRP 306 HD1 TRP 306 1.589 3.391 0.022 832 HE1 TRP 306 HE1 TRP 306 -0.408 2.692 -1.445 833 HE3 TRP 306 HE3 TRP 306 2.819 5.884 -4.269 834 HZ2 TRP 306 HZ2 TRP 306 -1.335 3.137 -4.072 835 HZ3 TRP 306 HZ3 TRP 306 1.326 5.692 -6.214 836 HH2 TRP 306 HH2 TRP 306 -0.709 4.345 -6.116 837 H VAL 307 H VAL 307 6.532 4.824 -3.325 838 HA VAL 307 HA VAL 307 8.439 5.872 -1.410 839 HB VAL 307 HB VAL 307 9.915 6.137 -3.408 840 1HG1 VAL 307 1HG1 VAL 307 8.691 3.413 -3.003 841 2HG1 VAL 307 2HG1 VAL 307 10.247 3.731 -3.770 842 3HG1 VAL 307 3HG1 VAL 307 10.007 4.118 -2.066 843 1HG2 VAL 307 1HG2 VAL 307 7.969 6.419 -5.000 844 2HG2 VAL 307 2HG2 VAL 307 9.269 5.362 -5.546 845 3HG2 VAL 307 3HG2 VAL 307 7.772 4.668 -4.924 Start of MODEL 13 1 1H GLY 1 1H GLY 1 25.309 -6.641 -22.702 2 2H GLY 1 2H GLY 1 24.788 -7.764 -23.854 3 3H GLY 1 3H GLY 1 26.111 -6.765 -24.187 4 1HA GLY 1 1HA GLY 1 27.305 -7.817 -22.290 5 2HA GLY 1 2HA GLY 1 25.974 -8.960 -22.197 6 H SER 2 H SER 2 27.028 -10.803 -22.765 7 HA SER 2 HA SER 2 28.334 -10.842 -25.410 8 1HB SER 2 1HB SER 2 29.480 -12.931 -24.513 9 2HB SER 2 2HB SER 2 29.962 -11.409 -23.765 10 HG SER 2 HG SER 2 28.963 -11.960 -21.947 11 H HIS 3 H HIS 3 25.490 -11.086 -24.968 12 HA HIS 3 HA HIS 3 24.979 -13.921 -25.514 13 1HB HIS 3 1HB HIS 3 23.097 -11.638 -24.889 14 2HB HIS 3 2HB HIS 3 22.577 -13.281 -25.250 15 HD1 HIS 3 HD1 HIS 3 23.974 -11.163 -22.551 16 HD2 HIS 3 HD2 HIS 3 23.167 -15.185 -23.221 17 HE1 HIS 3 HE1 HIS 3 24.109 -12.262 -20.291 18 HE2 HIS 3 HE2 HIS 3 23.672 -14.704 -20.730 19 H MET 4 H MET 4 24.723 -14.602 -27.533 20 HA MET 4 HA MET 4 24.361 -12.627 -29.658 21 1HB MET 4 1HB MET 4 25.662 -15.246 -29.430 22 2HB MET 4 2HB MET 4 24.729 -15.062 -30.909 23 1HG MET 4 1HG MET 4 26.960 -14.390 -31.362 24 2HG MET 4 2HG MET 4 25.954 -12.942 -31.339 25 1HE MET 4 1HE MET 4 28.120 -11.675 -31.364 26 2HE MET 4 2HE MET 4 29.165 -11.404 -29.969 27 3HE MET 4 3HE MET 4 29.351 -12.865 -30.940 28 H GLY 5 H GLY 5 23.084 -13.657 -31.627 29 1HA GLY 5 1HA GLY 5 21.048 -15.426 -31.504 30 2HA GLY 5 2HA GLY 5 20.387 -14.040 -30.650 31 H HIS 6 H HIS 6 18.792 -13.658 -32.194 32 HA HIS 6 HA HIS 6 19.740 -12.229 -34.545 33 1HB HIS 6 1HB HIS 6 18.278 -14.811 -34.628 34 2HB HIS 6 2HB HIS 6 17.740 -13.570 -35.756 35 HD1 HIS 6 HD1 HIS 6 20.171 -12.379 -36.876 36 HD2 HIS 6 HD2 HIS 6 19.998 -16.423 -35.933 37 HE1 HIS 6 HE1 HIS 6 21.967 -13.470 -38.258 38 HE2 HIS 6 HE2 HIS 6 21.784 -15.928 -37.736 39 H GLU 7 H GLU 7 16.577 -13.528 -33.531 40 HA GLU 7 HA GLU 7 15.550 -10.765 -33.510 41 1HB GLU 7 1HB GLU 7 14.133 -13.392 -33.987 42 2HB GLU 7 2HB GLU 7 13.303 -11.852 -33.807 43 1HG GLU 7 1HG GLU 7 13.539 -11.504 -35.976 44 2HG GLU 7 2HG GLU 7 15.285 -11.441 -35.752 45 H LEU 8 H LEU 8 14.026 -10.168 -31.870 46 HA LEU 8 HA LEU 8 13.860 -11.915 -29.533 47 1HB LEU 8 1HB LEU 8 14.920 -9.089 -29.450 48 2HB LEU 8 2HB LEU 8 14.501 -10.040 -28.036 49 HG LEU 8 HG LEU 8 16.584 -10.932 -30.019 50 1HD1 LEU 8 1HD1 LEU 8 17.236 -8.757 -29.105 51 2HD1 LEU 8 2HD1 LEU 8 17.002 -9.376 -27.471 52 3HD1 LEU 8 3HD1 LEU 8 18.265 -10.053 -28.499 53 1HD2 LEU 8 1HD2 LEU 8 15.601 -12.641 -28.545 54 2HD2 LEU 8 2HD2 LEU 8 17.309 -12.363 -28.206 55 3HD2 LEU 8 3HD2 LEU 8 16.077 -11.683 -27.142 56 H ALA 9 H ALA 9 12.323 -11.070 -27.892 57 HA ALA 9 HA ALA 9 10.271 -9.311 -29.060 58 1HB ALA 9 1HB ALA 9 9.660 -11.739 -29.247 59 2HB ALA 9 2HB ALA 9 9.630 -11.797 -27.484 60 3HB ALA 9 3HB ALA 9 8.509 -10.748 -28.352 61 H LYS 10 H LYS 10 11.217 -7.659 -27.729 62 HA LYS 10 HA LYS 10 9.983 -7.477 -25.150 63 1HB LYS 10 1HB LYS 10 12.820 -8.238 -25.384 64 2HB LYS 10 2HB LYS 10 12.522 -6.890 -24.294 65 1HG LYS 10 1HG LYS 10 10.684 -9.132 -23.923 66 2HG LYS 10 2HG LYS 10 12.375 -9.537 -23.630 67 1HD LYS 10 1HD LYS 10 12.247 -7.223 -22.286 68 2HD LYS 10 2HD LYS 10 10.560 -7.725 -22.145 69 1HE LYS 10 1HE LYS 10 12.864 -9.540 -21.470 70 2HE LYS 10 2HE LYS 10 12.121 -8.464 -20.288 71 1HZ LYS 10 1HZ LYS 10 9.976 -9.568 -20.785 72 2HZ LYS 10 2HZ LYS 10 10.801 -10.678 -21.759 73 3HZ LYS 10 3HZ LYS 10 11.123 -10.604 -20.100 74 H GLN 11 H GLN 11 10.919 -5.344 -24.024 75 HA GLN 11 HA GLN 11 11.754 -3.332 -25.941 76 1HB GLN 11 1HB GLN 11 9.814 -1.841 -25.352 77 2HB GLN 11 2HB GLN 11 9.409 -3.228 -26.355 78 1HG GLN 11 1HG GLN 11 8.757 -4.400 -24.199 79 2HG GLN 11 2HG GLN 11 8.850 -2.812 -23.440 80 1HE2 GLN 11 2HE2 GLN 11 6.959 -4.949 -25.252 81 2HE2 GLN 11 1HE2 GLN 11 5.635 -3.889 -25.579 82 H GLU 12 H GLU 12 12.703 -1.529 -24.988 83 HA GLU 12 HA GLU 12 12.679 -1.408 -22.048 84 1HB GLU 12 1HB GLU 12 14.760 -2.541 -23.132 85 2HB GLU 12 2HB GLU 12 15.216 -0.898 -23.566 86 1HG GLU 12 1HG GLU 12 15.231 -0.241 -21.250 87 2HG GLU 12 2HG GLU 12 14.633 -1.827 -20.765 88 H ILE 13 H ILE 13 11.643 0.457 -21.693 89 HA ILE 13 HA ILE 13 12.527 2.858 -23.173 90 HB ILE 13 HB ILE 13 10.286 3.812 -22.683 91 1HG1 ILE 13 1HG1 ILE 13 9.709 0.992 -21.734 92 2HG1 ILE 13 2HG1 ILE 13 9.707 2.445 -20.741 93 1HG2 ILE 13 1HG2 ILE 13 10.868 2.725 -24.832 94 2HG2 ILE 13 2HG2 ILE 13 10.194 1.217 -24.215 95 3HG2 ILE 13 3HG2 ILE 13 9.151 2.621 -24.444 96 1HD1 ILE 13 1HD1 ILE 13 7.831 3.289 -22.188 97 2HD1 ILE 13 2HD1 ILE 13 7.761 1.673 -22.893 98 3HD1 ILE 13 3HD1 ILE 13 7.455 1.899 -21.170 99 H ARG 14 H ARG 14 12.534 4.875 -22.040 100 HA ARG 14 HA ARG 14 13.447 4.567 -19.299 101 1HB ARG 14 1HB ARG 14 13.767 6.574 -21.451 102 2HB ARG 14 2HB ARG 14 13.804 7.197 -19.807 103 1HG ARG 14 1HG ARG 14 15.572 5.524 -19.287 104 2HG ARG 14 2HG ARG 14 15.601 5.101 -21.000 105 1HD ARG 14 1HD ARG 14 15.919 7.954 -20.162 106 2HD ARG 14 2HD ARG 14 17.290 6.852 -20.050 107 HE ARG 14 HE ARG 14 16.137 6.646 -22.607 108 1HH1 ARG 14 1HH1 ARG 14 18.027 8.906 -20.697 109 2HH1 ARG 14 2HH1 ARG 14 18.775 9.629 -22.082 110 1HH2 ARG 14 1HH2 ARG 14 17.131 7.611 -24.408 111 2HH2 ARG 14 2HH2 ARG 14 18.268 8.898 -24.179 112 H VAL 15 H VAL 15 12.929 6.317 -17.722 113 HA VAL 15 HA VAL 15 10.262 7.469 -17.918 114 HB VAL 15 HB VAL 15 11.042 5.490 -15.755 115 1HG1 VAL 15 1HG1 VAL 15 8.661 7.332 -15.882 116 2HG1 VAL 15 2HG1 VAL 15 8.705 5.879 -14.883 117 3HG1 VAL 15 3HG1 VAL 15 9.854 7.185 -14.594 118 1HG2 VAL 15 1HG2 VAL 15 10.283 4.455 -17.814 119 2HG2 VAL 15 2HG2 VAL 15 9.086 4.239 -16.536 120 3HG2 VAL 15 3HG2 VAL 15 8.825 5.448 -17.793 121 H ARG 16 H ARG 16 10.385 9.515 -17.199 122 HA ARG 16 HA ARG 16 12.535 10.225 -15.309 123 1HB ARG 16 1HB ARG 16 12.372 11.262 -17.702 124 2HB ARG 16 2HB ARG 16 11.087 12.236 -17.001 125 1HG ARG 16 1HG ARG 16 12.716 12.964 -15.248 126 2HG ARG 16 2HG ARG 16 13.976 12.143 -16.172 127 1HD ARG 16 1HD ARG 16 13.000 13.580 -18.149 128 2HD ARG 16 2HD ARG 16 12.424 14.603 -16.834 129 HE ARG 16 HE ARG 16 15.198 13.955 -16.580 130 1HH1 ARG 16 1HH1 ARG 16 12.959 16.127 -18.193 131 2HH1 ARG 16 2HH1 ARG 16 14.145 17.370 -18.412 132 1HH2 ARG 16 1HH2 ARG 16 16.735 15.600 -16.880 133 2HH2 ARG 16 2HH2 ARG 16 16.278 17.073 -17.670 134 H VAL 17 H VAL 17 11.802 10.451 -13.290 135 HA VAL 17 HA VAL 17 9.155 11.701 -12.882 136 HB VAL 17 HB VAL 17 10.464 9.752 -10.981 137 1HG1 VAL 17 1HG1 VAL 17 8.837 11.320 -10.007 138 2HG1 VAL 17 2HG1 VAL 17 7.624 10.751 -11.155 139 3HG1 VAL 17 3HG1 VAL 17 8.277 9.648 -9.944 140 1HG2 VAL 17 1HG2 VAL 17 9.889 8.725 -13.204 141 2HG2 VAL 17 2HG2 VAL 17 9.066 8.016 -11.816 142 3HG2 VAL 17 3HG2 VAL 17 8.205 9.131 -12.874 143 H GLU 18 H GLU 18 9.161 13.568 -11.800 144 HA GLU 18 HA GLU 18 11.618 14.366 -10.401 145 1HB GLU 18 1HB GLU 18 9.327 15.948 -11.560 146 2HB GLU 18 2HB GLU 18 10.545 16.672 -10.517 147 1HG GLU 18 1HG GLU 18 12.261 16.280 -12.076 148 2HG GLU 18 2HG GLU 18 11.253 15.188 -13.026 149 H LYS 19 H LYS 19 11.666 14.568 -8.246 150 HA LYS 19 HA LYS 19 9.394 13.857 -6.674 151 1HB LYS 19 1HB LYS 19 12.106 13.784 -6.307 152 2HB LYS 19 2HB LYS 19 11.655 15.143 -5.287 153 1HG LYS 19 1HG LYS 19 11.565 13.324 -3.855 154 2HG LYS 19 2HG LYS 19 9.878 13.564 -4.320 155 1HD LYS 19 1HD LYS 19 10.249 11.244 -4.479 156 2HD LYS 19 2HD LYS 19 10.290 11.839 -6.139 157 1HE LYS 19 1HE LYS 19 12.095 10.285 -5.831 158 2HE LYS 19 2HE LYS 19 12.769 11.905 -5.998 159 1HZ LYS 19 1HZ LYS 19 12.274 10.615 -3.374 160 2HZ LYS 19 2HZ LYS 19 13.754 10.521 -4.188 161 3HZ LYS 19 3HZ LYS 19 13.160 12.023 -3.680 162 H ASP 20 H ASP 20 7.751 15.183 -6.246 163 HA ASP 20 HA ASP 20 8.079 17.674 -4.979 164 1HB ASP 20 1HB ASP 20 8.712 18.211 -7.415 165 2HB ASP 20 2HB ASP 20 7.003 17.990 -7.779 166 HA PRO 21 HA PRO 21 7.466 17.156 -3.129 167 1HB PRO 21 1HB PRO 21 5.832 15.664 -1.298 168 2HB PRO 21 2HB PRO 21 6.148 17.398 -1.305 169 1HG PRO 21 1HG PRO 21 3.693 16.253 -1.822 170 2HG PRO 21 2HG PRO 21 4.183 17.872 -2.350 171 1HD PRO 21 1HD PRO 21 4.156 15.302 -3.891 172 2HD PRO 21 2HD PRO 21 3.684 16.934 -4.412 173 H GLU 22 H GLU 22 5.833 14.258 -4.244 174 HA GLU 22 HA GLU 22 8.235 12.699 -3.547 175 1HB GLU 22 1HB GLU 22 5.362 11.785 -3.321 176 2HB GLU 22 2HB GLU 22 6.766 10.747 -3.112 177 1HG GLU 22 1HG GLU 22 6.580 11.229 -0.948 178 2HG GLU 22 2HG GLU 22 7.302 12.779 -1.374 179 H LEU 23 H LEU 23 7.894 10.387 -4.737 180 HA LEU 23 HA LEU 23 8.246 10.920 -7.477 181 1HB LEU 23 1HB LEU 23 7.803 8.359 -5.956 182 2HB LEU 23 2HB LEU 23 8.063 8.387 -7.691 183 HG LEU 23 HG LEU 23 10.184 9.882 -6.789 184 1HD1 LEU 23 1HD1 LEU 23 9.606 9.340 -4.453 185 2HD1 LEU 23 2HD1 LEU 23 9.820 7.629 -4.823 186 3HD1 LEU 23 3HD1 LEU 23 11.192 8.731 -4.929 187 1HD2 LEU 23 1HD2 LEU 23 10.264 8.098 -8.469 188 2HD2 LEU 23 2HD2 LEU 23 11.556 7.936 -7.280 189 3HD2 LEU 23 3HD2 LEU 23 10.137 6.892 -7.189 190 H GLY 24 H GLY 24 5.615 9.068 -5.900 191 1HA GLY 24 1HA GLY 24 3.304 9.703 -6.438 192 2HA GLY 24 2HA GLY 24 3.837 9.971 -8.086 193 H PHE 25 H PHE 25 4.855 7.167 -6.205 194 HA PHE 25 HA PHE 25 2.805 5.434 -7.115 195 1HB PHE 25 1HB PHE 25 4.041 4.120 -8.754 196 2HB PHE 25 2HB PHE 25 3.910 5.793 -9.285 197 HD1 PHE 25 HD1 PHE 25 6.178 3.212 -8.003 198 HD2 PHE 25 HD2 PHE 25 5.850 7.181 -9.504 199 HE1 PHE 25 HE1 PHE 25 8.618 3.296 -8.305 200 HE2 PHE 25 HE2 PHE 25 8.289 7.270 -9.811 201 HZ PHE 25 HZ PHE 25 9.676 5.326 -9.211 202 H SER 26 H SER 26 2.986 3.326 -6.320 203 HA SER 26 HA SER 26 5.003 3.031 -4.213 204 1HB SER 26 1HB SER 26 3.392 1.097 -3.541 205 2HB SER 26 2HB SER 26 2.890 2.763 -3.246 206 HG SER 26 HG SER 26 1.348 1.262 -4.333 207 H ILE 27 H ILE 27 6.157 1.079 -3.945 208 HA ILE 27 HA ILE 27 6.286 -0.614 -6.360 209 HB ILE 27 HB ILE 27 8.686 -0.968 -5.849 210 1HG1 ILE 27 1HG1 ILE 27 8.397 1.342 -3.924 211 2HG1 ILE 27 2HG1 ILE 27 8.449 -0.341 -3.407 212 1HG2 ILE 27 1HG2 ILE 27 7.945 0.709 -7.493 213 2HG2 ILE 27 2HG2 ILE 27 7.949 1.931 -6.222 214 3HG2 ILE 27 3HG2 ILE 27 9.459 1.160 -6.706 215 1HD1 ILE 27 1HD1 ILE 27 10.634 0.616 -5.159 216 2HD1 ILE 27 2HD1 ILE 27 10.606 1.185 -3.490 217 3HD1 ILE 27 3HD1 ILE 27 10.665 -0.543 -3.830 218 H SER 28 H SER 28 6.671 -2.828 -6.078 219 HA SER 28 HA SER 28 6.678 -3.876 -3.347 220 1HB SER 28 1HB SER 28 4.844 -5.454 -3.881 221 2HB SER 28 2HB SER 28 4.311 -3.773 -3.941 222 HG SER 28 HG SER 28 3.567 -4.948 -5.746 223 H GLY 29 H GLY 29 7.182 -6.201 -3.266 224 1HA GLY 29 1HA GLY 29 7.911 -8.203 -4.412 225 2HA GLY 29 2HA GLY 29 8.538 -7.184 -5.696 226 H GLY 30 H GLY 30 10.571 -8.183 -5.563 227 1HA GLY 30 1HA GLY 30 12.808 -7.600 -4.910 228 2HA GLY 30 2HA GLY 30 12.196 -7.211 -3.310 229 H VAL 31 H VAL 31 14.426 -8.916 -3.878 230 HA VAL 31 HA VAL 31 13.576 -11.647 -3.620 231 HB VAL 31 HB VAL 31 16.343 -10.568 -3.070 232 1HG1 VAL 31 1HG1 VAL 31 15.823 -12.902 -2.383 233 2HG1 VAL 31 2HG1 VAL 31 15.473 -13.273 -4.071 234 3HG1 VAL 31 3HG1 VAL 31 17.098 -12.781 -3.596 235 1HG2 VAL 31 1HG2 VAL 31 15.132 -11.376 -5.712 236 2HG2 VAL 31 2HG2 VAL 31 15.698 -9.770 -5.255 237 3HG2 VAL 31 3HG2 VAL 31 16.850 -11.094 -5.435 238 H GLY 32 H GLY 32 12.458 -12.059 -1.792 239 1HA GLY 32 1HA GLY 32 12.498 -12.836 0.430 240 2HA GLY 32 2HA GLY 32 13.928 -11.864 0.724 241 H GLY 33 H GLY 33 11.570 -9.987 -0.855 242 1HA GLY 33 1HA GLY 33 11.031 -8.576 1.628 243 2HA GLY 33 2HA GLY 33 10.645 -8.022 0.007 244 H ARG 34 H ARG 34 8.575 -7.403 0.787 245 HA ARG 34 HA ARG 34 6.746 -9.126 2.020 246 1HB ARG 34 1HB ARG 34 6.284 -6.712 0.266 247 2HB ARG 34 2HB ARG 34 5.021 -7.513 1.192 248 1HG ARG 34 1HG ARG 34 7.456 -6.647 2.647 249 2HG ARG 34 2HG ARG 34 6.327 -5.402 2.112 250 1HD ARG 34 1HD ARG 34 4.658 -6.126 3.503 251 2HD ARG 34 2HD ARG 34 5.227 -7.794 3.496 252 HE ARG 34 HE ARG 34 7.023 -5.993 4.822 253 1HH1 ARG 34 1HH1 ARG 34 4.148 -7.958 5.261 254 2HH1 ARG 34 2HH1 ARG 34 4.371 -8.105 6.973 255 1HH2 ARG 34 1HH2 ARG 34 7.294 -6.200 7.067 256 2HH2 ARG 34 2HH2 ARG 34 6.149 -7.110 7.992 257 H GLY 35 H GLY 35 7.677 -8.813 -1.338 258 1HA GLY 35 1HA GLY 35 7.314 -10.645 -2.838 259 2HA GLY 35 2HA GLY 35 5.831 -11.017 -1.976 260 H ASN 36 H ASN 36 6.163 -10.708 -4.811 261 HA ASN 36 HA ASN 36 4.558 -8.285 -5.315 262 1HB ASN 36 1HB ASN 36 5.274 -8.782 -7.781 263 2HB ASN 36 2HB ASN 36 6.416 -8.008 -6.693 264 1HD2 ASN 36 2HD2 ASN 36 5.425 -11.317 -7.581 265 2HD2 ASN 36 1HD2 ASN 36 7.032 -11.938 -7.713 266 HA PRO 37 HA PRO 37 1.434 -11.312 -6.434 267 1HB PRO 37 1HB PRO 37 -0.687 -9.689 -6.497 268 2HB PRO 37 2HB PRO 37 0.127 -10.086 -4.980 269 1HG PRO 37 1HG PRO 37 0.161 -7.570 -6.533 270 2HG PRO 37 2HG PRO 37 0.398 -7.826 -4.797 271 1HD PRO 37 1HD PRO 37 2.403 -7.472 -6.815 272 2HD PRO 37 2HD PRO 37 2.642 -7.775 -5.083 273 H PHE 38 H PHE 38 3.074 -10.091 -8.601 274 HA PHE 38 HA PHE 38 1.022 -9.846 -10.706 275 1HB PHE 38 1HB PHE 38 3.825 -8.770 -10.492 276 2HB PHE 38 2HB PHE 38 3.012 -8.902 -12.049 277 HD1 PHE 38 HD1 PHE 38 1.066 -7.524 -12.556 278 HD2 PHE 38 HD2 PHE 38 3.165 -7.129 -8.876 279 HE1 PHE 38 HE1 PHE 38 -0.038 -5.361 -12.164 280 HE2 PHE 38 HE2 PHE 38 2.064 -4.966 -8.476 281 HZ PHE 38 HZ PHE 38 0.461 -4.079 -10.122 282 H ARG 39 H ARG 39 4.266 -11.196 -10.111 283 HA ARG 39 HA ARG 39 3.592 -13.400 -11.950 284 1HB ARG 39 1HB ARG 39 6.182 -11.870 -11.713 285 2HB ARG 39 2HB ARG 39 6.069 -13.430 -12.517 286 1HG ARG 39 1HG ARG 39 4.164 -12.284 -13.873 287 2HG ARG 39 2HG ARG 39 4.938 -10.794 -13.332 288 1HD ARG 39 1HD ARG 39 6.989 -11.390 -14.376 289 2HD ARG 39 2HD ARG 39 6.419 -13.024 -14.705 290 HE ARG 39 HE ARG 39 5.993 -10.722 -16.310 291 1HH1 ARG 39 1HH1 ARG 39 4.418 -13.691 -15.296 292 2HH1 ARG 39 2HH1 ARG 39 3.430 -13.786 -16.715 293 1HH2 ARG 39 1HH2 ARG 39 4.686 -10.867 -18.161 294 2HH2 ARG 39 2HH2 ARG 39 3.581 -12.189 -18.333 295 HA PRO 40 HA PRO 40 4.964 -15.911 -8.562 296 1HB PRO 40 1HB PRO 40 5.273 -18.303 -9.772 297 2HB PRO 40 2HB PRO 40 3.698 -17.541 -9.540 298 1HG PRO 40 1HG PRO 40 5.252 -17.905 -12.006 299 2HG PRO 40 2HG PRO 40 3.520 -17.609 -11.802 300 1HD PRO 40 1HD PRO 40 5.588 -15.726 -12.485 301 2HD PRO 40 2HD PRO 40 3.845 -15.436 -12.329 302 H ASP 41 H ASP 41 6.982 -16.889 -11.366 303 HA ASP 41 HA ASP 41 9.186 -17.510 -9.631 304 1HB ASP 41 1HB ASP 41 8.519 -18.644 -11.860 305 2HB ASP 41 2HB ASP 41 9.404 -17.322 -12.617 306 H ASP 42 H ASP 42 8.146 -14.557 -10.945 307 HA ASP 42 HA ASP 42 10.880 -13.503 -11.089 308 1HB ASP 42 1HB ASP 42 9.118 -13.094 -12.931 309 2HB ASP 42 2HB ASP 42 8.383 -11.973 -11.789 310 H ASP 43 H ASP 43 11.657 -12.705 -9.249 311 HA ASP 43 HA ASP 43 9.788 -11.529 -7.306 312 1HB ASP 43 1HB ASP 43 11.631 -11.882 -5.661 313 2HB ASP 43 2HB ASP 43 11.066 -13.373 -6.409 314 H GLY 44 H GLY 44 10.546 -9.983 -9.549 315 1HA GLY 44 1HA GLY 44 12.637 -8.157 -8.688 316 2HA GLY 44 2HA GLY 44 11.706 -8.051 -10.174 317 H ILE 45 H ILE 45 11.464 -5.780 -9.774 318 HA ILE 45 HA ILE 45 9.581 -5.129 -7.596 319 HB ILE 45 HB ILE 45 11.226 -3.109 -9.115 320 1HG1 ILE 45 1HG1 ILE 45 12.785 -4.675 -8.035 321 2HG1 ILE 45 2HG1 ILE 45 12.812 -3.108 -7.233 322 1HG2 ILE 45 1HG2 ILE 45 9.238 -2.321 -7.896 323 2HG2 ILE 45 2HG2 ILE 45 9.908 -2.990 -6.408 324 3HG2 ILE 45 3HG2 ILE 45 10.738 -1.672 -7.234 325 1HD1 ILE 45 1HD1 ILE 45 11.357 -5.557 -6.266 326 2HD1 ILE 45 2HD1 ILE 45 12.873 -4.921 -5.626 327 3HD1 ILE 45 3HD1 ILE 45 11.385 -3.987 -5.463 328 H PHE 46 H PHE 46 7.583 -4.421 -8.096 329 HA PHE 46 HA PHE 46 7.041 -3.625 -10.886 330 1HB PHE 46 1HB PHE 46 5.272 -5.301 -9.092 331 2HB PHE 46 2HB PHE 46 4.845 -4.740 -10.705 332 HD1 PHE 46 HD1 PHE 46 7.191 -6.902 -8.828 333 HD2 PHE 46 HD2 PHE 46 5.515 -5.930 -12.619 334 HE1 PHE 46 HE1 PHE 46 8.200 -8.930 -9.793 335 HE2 PHE 46 HE2 PHE 46 6.521 -7.959 -13.587 336 HZ PHE 46 HZ PHE 46 7.866 -9.458 -12.173 337 H VAL 47 H VAL 47 5.378 -2.094 -11.218 338 HA VAL 47 HA VAL 47 5.013 -0.259 -8.984 339 HB VAL 47 HB VAL 47 4.090 0.089 -11.842 340 1HG1 VAL 47 1HG1 VAL 47 3.041 1.565 -10.165 341 2HG1 VAL 47 2HG1 VAL 47 4.642 2.137 -9.700 342 3HG1 VAL 47 3HG1 VAL 47 4.033 2.448 -11.325 343 1HG2 VAL 47 1HG2 VAL 47 6.583 -0.322 -11.540 344 2HG2 VAL 47 2HG2 VAL 47 6.116 1.164 -12.369 345 3HG2 VAL 47 3HG2 VAL 47 6.623 1.218 -10.681 346 H THR 48 H THR 48 3.552 -1.604 -7.775 347 HA THR 48 HA THR 48 1.246 -2.806 -8.489 348 HB THR 48 HB THR 48 2.108 -2.886 -6.233 349 HG1 THR 48 HG1 THR 48 -0.522 -1.836 -6.266 350 1HG2 THR 48 1HG2 THR 48 0.851 -0.333 -5.440 351 2HG2 THR 48 2HG2 THR 48 2.216 -1.200 -4.734 352 3HG2 THR 48 3HG2 THR 48 2.436 -0.261 -6.211 353 H ARG 49 H ARG 49 1.249 0.694 -7.518 354 HA ARG 49 HA ARG 49 -0.820 1.227 -9.440 355 1HB ARG 49 1HB ARG 49 -2.442 2.094 -7.685 356 2HB ARG 49 2HB ARG 49 -2.323 0.348 -7.851 357 1HG ARG 49 1HG ARG 49 -1.047 0.156 -5.866 358 2HG ARG 49 2HG ARG 49 -0.807 1.901 -5.771 359 1HD ARG 49 1HD ARG 49 -3.522 0.604 -5.633 360 2HD ARG 49 2HD ARG 49 -2.539 0.924 -4.205 361 HE ARG 49 HE ARG 49 -2.900 3.249 -5.831 362 1HH1 ARG 49 1HH1 ARG 49 -4.426 1.294 -3.345 363 2HH1 ARG 49 2HH1 ARG 49 -5.400 2.600 -2.755 364 1HH2 ARG 49 1HH2 ARG 49 -4.188 4.946 -5.039 365 2HH2 ARG 49 2HH2 ARG 49 -5.265 4.662 -3.712 366 H VAL 50 H VAL 50 -1.417 3.457 -9.593 367 HA VAL 50 HA VAL 50 0.640 5.268 -8.499 368 HB VAL 50 HB VAL 50 -1.100 5.771 -10.920 369 1HG1 VAL 50 1HG1 VAL 50 -0.021 7.705 -9.695 370 2HG1 VAL 50 2HG1 VAL 50 1.530 7.043 -10.212 371 3HG1 VAL 50 3HG1 VAL 50 0.350 7.564 -11.414 372 1HG2 VAL 50 1HG2 VAL 50 0.324 3.774 -11.260 373 2HG2 VAL 50 2HG2 VAL 50 0.752 5.116 -12.322 374 3HG2 VAL 50 3HG2 VAL 50 1.742 4.761 -10.907 375 H GLN 51 H GLN 51 0.006 7.280 -7.603 376 HA GLN 51 HA GLN 51 -2.826 7.390 -6.833 377 1HB GLN 51 1HB GLN 51 -0.315 8.074 -5.468 378 2HB GLN 51 2HB GLN 51 -1.612 9.238 -5.232 379 1HG GLN 51 1HG GLN 51 -2.500 6.486 -4.927 380 2HG GLN 51 2HG GLN 51 -1.214 6.919 -3.803 381 1HE2 GLN 51 2HE2 GLN 51 -4.425 6.718 -4.070 382 2HE2 GLN 51 1HE2 GLN 51 -4.915 7.956 -2.969 383 HA PRO 52 HA PRO 52 -2.392 11.827 -8.358 384 1HB PRO 52 1HB PRO 52 -0.100 13.133 -8.605 385 2HB PRO 52 2HB PRO 52 -0.766 12.808 -6.997 386 1HG PRO 52 1HG PRO 52 1.391 11.343 -8.479 387 2HG PRO 52 2HG PRO 52 1.369 11.880 -6.788 388 1HD PRO 52 1HD PRO 52 0.751 9.323 -7.588 389 2HD PRO 52 2HD PRO 52 0.134 10.081 -6.107 390 H GLU 53 H GLU 53 -3.001 11.838 -10.449 391 HA GLU 53 HA GLU 53 -1.401 10.528 -12.455 392 1HB GLU 53 1HB GLU 53 -3.248 11.489 -14.025 393 2HB GLU 53 2HB GLU 53 -3.637 10.178 -12.927 394 1HG GLU 53 1HG GLU 53 -5.375 11.923 -13.052 395 2HG GLU 53 2HG GLU 53 -4.746 11.675 -11.426 396 H GLY 54 H GLY 54 0.393 12.100 -11.840 397 1HA GLY 54 1HA GLY 54 0.380 14.245 -13.850 398 2HA GLY 54 2HA GLY 54 0.865 14.620 -12.203 399 HA PRO 55 HA PRO 55 5.044 13.485 -13.050 400 1HB PRO 55 1HB PRO 55 5.767 11.743 -11.050 401 2HB PRO 55 2HB PRO 55 5.669 13.495 -10.863 402 1HG PRO 55 1HG PRO 55 3.700 11.391 -10.080 403 2HG PRO 55 2HG PRO 55 4.180 12.860 -9.212 404 1HD PRO 55 1HD PRO 55 1.872 12.698 -10.596 405 2HD PRO 55 2HD PRO 55 2.794 14.209 -10.468 406 H ALA 56 H ALA 56 3.651 10.412 -11.830 407 HA ALA 56 HA ALA 56 4.881 9.054 -14.131 408 1HB ALA 56 1HB ALA 56 4.185 8.092 -11.368 409 2HB ALA 56 2HB ALA 56 4.588 6.988 -12.683 410 3HB ALA 56 3HB ALA 56 5.772 8.174 -12.132 411 H SER 57 H SER 57 2.527 10.350 -14.662 412 HA SER 57 HA SER 57 0.321 8.492 -14.428 413 1HB SER 57 1HB SER 57 -0.964 10.207 -15.623 414 2HB SER 57 2HB SER 57 -0.079 10.912 -14.271 415 HG SER 57 HG SER 57 1.265 11.903 -15.638 416 H LYS 58 H LYS 58 1.914 10.091 -17.185 417 HA LYS 58 HA LYS 58 0.947 7.998 -18.955 418 1HB LYS 58 1HB LYS 58 2.424 10.574 -19.469 419 2HB LYS 58 2HB LYS 58 1.991 9.434 -20.737 420 1HG LYS 58 1HG LYS 58 -0.015 10.701 -18.889 421 2HG LYS 58 2HG LYS 58 0.435 11.374 -20.457 422 1HD LYS 58 1HD LYS 58 -0.602 8.568 -20.105 423 2HD LYS 58 2HD LYS 58 -1.652 9.949 -20.423 424 1HE LYS 58 1HE LYS 58 -0.997 10.122 -22.582 425 2HE LYS 58 2HE LYS 58 0.660 9.633 -22.230 426 1HZ LYS 58 1HZ LYS 58 -1.598 7.718 -22.179 427 2HZ LYS 58 2HZ LYS 58 -0.719 8.039 -23.587 428 3HZ LYS 58 3HZ LYS 58 0.058 7.379 -22.240 429 H LEU 59 H LEU 59 3.637 8.184 -16.996 430 HA LEU 59 HA LEU 59 5.461 7.080 -18.989 431 1HB LEU 59 1HB LEU 59 5.917 7.827 -16.103 432 2HB LEU 59 2HB LEU 59 7.142 7.173 -17.173 433 HG LEU 59 HG LEU 59 5.678 9.733 -17.777 434 1HD1 LEU 59 1HD1 LEU 59 8.299 9.366 -16.335 435 2HD1 LEU 59 2HD1 LEU 59 7.663 10.901 -16.925 436 3HD1 LEU 59 3HD1 LEU 59 6.810 10.024 -15.655 437 1HD2 LEU 59 1HD2 LEU 59 6.800 8.533 -19.637 438 2HD2 LEU 59 2HD2 LEU 59 7.491 10.122 -19.307 439 3HD2 LEU 59 3HD2 LEU 59 8.322 8.668 -18.756 440 H LEU 60 H LEU 60 4.621 6.165 -15.609 441 HA LEU 60 HA LEU 60 5.173 3.382 -16.315 442 1HB LEU 60 1HB LEU 60 4.623 4.675 -13.645 443 2HB LEU 60 2HB LEU 60 5.036 2.987 -13.880 444 HG LEU 60 HG LEU 60 6.957 4.919 -15.019 445 1HD1 LEU 60 1HD1 LEU 60 6.538 4.672 -12.047 446 2HD1 LEU 60 2HD1 LEU 60 8.025 5.266 -12.785 447 3HD1 LEU 60 3HD1 LEU 60 6.513 6.142 -13.022 448 1HD2 LEU 60 1HD2 LEU 60 7.129 2.369 -14.876 449 2HD2 LEU 60 2HD2 LEU 60 8.540 3.316 -14.407 450 3HD2 LEU 60 3HD2 LEU 60 7.494 2.622 -13.170 451 H GLN 61 H GLN 61 3.701 1.766 -16.252 452 HA GLN 61 HA GLN 61 0.904 2.491 -15.639 453 1HB GLN 61 1HB GLN 61 0.177 0.961 -17.401 454 2HB GLN 61 2HB GLN 61 1.235 2.202 -18.060 455 1HG GLN 61 1HG GLN 61 2.145 0.410 -19.084 456 2HG GLN 61 2HG GLN 61 3.067 0.340 -17.583 457 1HE2 GLN 61 2HE2 GLN 61 3.385 -1.776 -17.308 458 2HE2 GLN 61 1HE2 GLN 61 2.135 -2.965 -17.218 459 HA PRO 62 HA PRO 62 0.788 -0.749 -12.625 460 1HB PRO 62 1HB PRO 62 -1.706 -1.734 -13.920 461 2HB PRO 62 2HB PRO 62 -1.403 -1.315 -12.230 462 1HG PRO 62 1HG PRO 62 -2.798 0.320 -13.792 463 2HG PRO 62 2HG PRO 62 -1.636 0.963 -12.617 464 1HD PRO 62 1HD PRO 62 -1.376 0.675 -15.580 465 2HD PRO 62 2HD PRO 62 -0.799 1.975 -14.518 466 H GLY 63 H GLY 63 2.260 -2.337 -12.840 467 1HA GLY 63 1HA GLY 63 2.389 -4.762 -13.279 468 2HA GLY 63 2HA GLY 63 1.747 -4.424 -14.875 469 H ASP 64 H ASP 64 3.886 -1.956 -14.340 470 HA ASP 64 HA ASP 64 5.792 -2.997 -16.154 471 1HB ASP 64 1HB ASP 64 5.525 -0.507 -14.529 472 2HB ASP 64 2HB ASP 64 7.092 -0.873 -15.245 473 H LYS 65 H LYS 65 8.259 -2.492 -15.452 474 HA LYS 65 HA LYS 65 8.851 -3.677 -12.851 475 1HB LYS 65 1HB LYS 65 8.679 -5.562 -14.484 476 2HB LYS 65 2HB LYS 65 9.977 -4.827 -15.413 477 1HG LYS 65 1HG LYS 65 11.435 -5.019 -13.401 478 2HG LYS 65 2HG LYS 65 10.139 -5.923 -12.615 479 1HD LYS 65 1HD LYS 65 10.323 -7.710 -14.128 480 2HD LYS 65 2HD LYS 65 11.254 -6.753 -15.278 481 1HE LYS 65 1HE LYS 65 13.208 -7.031 -14.139 482 2HE LYS 65 2HE LYS 65 12.406 -7.122 -12.572 483 1HZ LYS 65 1HZ LYS 65 12.165 -9.293 -14.568 484 2HZ LYS 65 2HZ LYS 65 13.451 -9.236 -13.470 485 3HZ LYS 65 3HZ LYS 65 11.860 -9.355 -12.905 486 H ILE 66 H ILE 66 10.498 -2.625 -11.919 487 HA ILE 66 HA ILE 66 12.045 -0.741 -13.516 488 HB ILE 66 HB ILE 66 11.980 -1.160 -10.513 489 1HG1 ILE 66 1HG1 ILE 66 10.791 1.120 -10.663 490 2HG1 ILE 66 2HG1 ILE 66 10.553 0.736 -12.364 491 1HG2 ILE 66 1HG2 ILE 66 13.230 1.075 -12.115 492 2HG2 ILE 66 2HG2 ILE 66 13.103 1.014 -10.356 493 3HG2 ILE 66 3HG2 ILE 66 14.099 -0.165 -11.209 494 1HD1 ILE 66 1HD1 ILE 66 9.710 -1.200 -10.261 495 2HD1 ILE 66 2HD1 ILE 66 8.700 0.190 -10.660 496 3HD1 ILE 66 3HD1 ILE 66 9.105 -0.992 -11.904 497 H ILE 67 H ILE 67 13.922 -1.317 -14.371 498 HA ILE 67 HA ILE 67 15.424 -3.540 -13.165 499 HB ILE 67 HB ILE 67 15.743 -2.431 -15.957 500 1HG1 ILE 67 1HG1 ILE 67 14.211 -4.893 -15.093 501 2HG1 ILE 67 2HG1 ILE 67 13.464 -3.369 -15.561 502 1HG2 ILE 67 1HG2 ILE 67 17.662 -3.685 -14.965 503 2HG2 ILE 67 2HG2 ILE 67 16.607 -5.092 -14.838 504 3HG2 ILE 67 3HG2 ILE 67 16.989 -4.417 -16.422 505 1HD1 ILE 67 1HD1 ILE 67 14.554 -3.609 -17.787 506 2HD1 ILE 67 2HD1 ILE 67 15.085 -5.216 -17.291 507 3HD1 ILE 67 3HD1 ILE 67 13.363 -4.855 -17.416 508 H GLN 68 H GLN 68 15.640 -0.152 -14.010 509 HA GLN 68 HA GLN 68 18.149 0.035 -12.569 510 1HB GLN 68 1HB GLN 68 18.687 -0.500 -15.008 511 2HB GLN 68 2HB GLN 68 18.073 1.104 -15.384 512 1HG GLN 68 1HG GLN 68 19.758 2.128 -14.009 513 2HG GLN 68 2HG GLN 68 20.323 0.548 -13.466 514 1HE2 GLN 68 2HE2 GLN 68 19.934 2.572 -16.328 515 2HE2 GLN 68 1HE2 GLN 68 21.278 1.918 -17.195 516 H ALA 69 H ALA 69 18.670 2.125 -11.881 517 HA ALA 69 HA ALA 69 16.916 4.334 -12.605 518 1HB ALA 69 1HB ALA 69 15.764 3.147 -10.759 519 2HB ALA 69 2HB ALA 69 17.164 3.459 -9.733 520 3HB ALA 69 3HB ALA 69 16.211 4.805 -10.357 521 H ASN 70 H ASN 70 18.161 6.066 -12.902 522 HA ASN 70 HA ASN 70 19.969 7.467 -12.897 523 1HB ASN 70 1HB ASN 70 19.320 6.948 -10.034 524 2HB ASN 70 2HB ASN 70 20.769 7.880 -10.402 525 1HD2 ASN 70 2HD2 ASN 70 18.363 8.753 -9.074 526 2HD2 ASN 70 1HD2 ASN 70 17.719 10.049 -10.018 527 H GLY 71 H GLY 71 20.698 4.743 -13.409 528 1HA GLY 71 1HA GLY 71 22.780 3.808 -13.900 529 2HA GLY 71 2HA GLY 71 23.529 4.936 -12.784 530 H TYR 72 H TYR 72 20.866 3.332 -11.352 531 HA TYR 72 HA TYR 72 22.707 1.451 -10.034 532 1HB TYR 72 1HB TYR 72 20.967 3.417 -8.947 533 2HB TYR 72 2HB TYR 72 20.278 1.851 -8.531 534 HD1 TYR 72 HD1 TYR 72 21.975 0.115 -7.527 535 HD2 TYR 72 HD2 TYR 72 22.611 4.322 -7.591 536 HE1 TYR 72 HE1 TYR 72 23.588 -0.106 -5.685 537 HE2 TYR 72 HE2 TYR 72 24.227 4.112 -5.750 538 HH TYR 72 HH TYR 72 25.784 1.711 -4.931 539 H SER 73 H SER 73 22.377 -0.624 -10.504 540 HA SER 73 HA SER 73 20.163 -1.471 -12.077 541 1HB SER 73 1HB SER 73 22.190 -3.183 -10.621 542 2HB SER 73 2HB SER 73 21.165 -3.682 -11.967 543 HG SER 73 HG SER 73 23.451 -2.091 -11.956 544 H PHE 74 H PHE 74 18.251 -2.266 -11.489 545 HA PHE 74 HA PHE 74 17.792 -2.815 -8.634 546 1HB PHE 74 1HB PHE 74 16.090 -1.722 -10.824 547 2HB PHE 74 2HB PHE 74 15.300 -2.649 -9.553 548 HD1 PHE 74 HD1 PHE 74 18.041 -0.113 -9.612 549 HD2 PHE 74 HD2 PHE 74 14.265 -1.287 -8.038 550 HE1 PHE 74 HE1 PHE 74 18.021 1.887 -8.179 551 HE2 PHE 74 HE2 PHE 74 14.237 0.711 -6.603 552 HZ PHE 74 HZ PHE 74 16.117 2.301 -6.672 553 H ILE 75 H ILE 75 18.707 -4.699 -11.033 554 HA ILE 75 HA ILE 75 16.564 -6.662 -10.902 555 HB ILE 75 HB ILE 75 17.643 -6.245 -13.075 556 1HG1 ILE 75 1HG1 ILE 75 18.282 -8.695 -13.545 557 2HG1 ILE 75 2HG1 ILE 75 17.910 -8.979 -11.847 558 1HG2 ILE 75 1HG2 ILE 75 19.895 -5.721 -12.286 559 2HG2 ILE 75 2HG2 ILE 75 20.127 -7.407 -11.825 560 3HG2 ILE 75 3HG2 ILE 75 19.918 -6.978 -13.523 561 1HD1 ILE 75 1HD1 ILE 75 15.643 -7.972 -12.315 562 2HD1 ILE 75 2HD1 ILE 75 16.058 -8.072 -14.025 563 3HD1 ILE 75 3HD1 ILE 75 15.973 -9.540 -13.051 564 H ASN 76 H ASN 76 16.528 -8.266 -9.488 565 HA ASN 76 HA ASN 76 17.129 -9.758 -7.886 566 1HB ASN 76 1HB ASN 76 19.835 -9.523 -9.222 567 2HB ASN 76 2HB ASN 76 19.443 -10.706 -7.976 568 1HD2 ASN 76 2HD2 ASN 76 20.200 -10.937 -10.858 569 2HD2 ASN 76 1HD2 ASN 76 18.976 -11.939 -11.553 570 H ILE 77 H ILE 77 16.663 -7.875 -6.484 571 HA ILE 77 HA ILE 77 18.924 -7.418 -4.708 572 HB ILE 77 HB ILE 77 18.404 -4.998 -4.497 573 1HG1 ILE 77 1HG1 ILE 77 16.939 -5.230 -7.116 574 2HG1 ILE 77 2HG1 ILE 77 16.084 -5.311 -5.578 575 1HG2 ILE 77 1HG2 ILE 77 20.283 -5.804 -5.853 576 2HG2 ILE 77 2HG2 ILE 77 19.231 -5.846 -7.269 577 3HG2 ILE 77 3HG2 ILE 77 19.602 -4.307 -6.489 578 1HD1 ILE 77 1HD1 ILE 77 17.862 -3.023 -6.362 579 2HD1 ILE 77 2HD1 ILE 77 16.126 -3.066 -6.669 580 3HD1 ILE 77 3HD1 ILE 77 16.730 -3.103 -5.013 581 H GLU 78 H GLU 78 18.190 -6.367 -2.637 582 HA GLU 78 HA GLU 78 15.783 -7.691 -1.755 583 1HB GLU 78 1HB GLU 78 17.826 -6.009 -0.300 584 2HB GLU 78 2HB GLU 78 16.443 -6.761 0.485 585 1HG GLU 78 1HG GLU 78 17.302 -8.867 0.300 586 2HG GLU 78 2HG GLU 78 18.239 -8.477 -1.141 587 H HIS 79 H HIS 79 14.045 -6.643 -0.636 588 HA HIS 79 HA HIS 79 12.884 -4.522 -1.991 589 1HB HIS 79 1HB HIS 79 11.753 -6.195 -0.463 590 2HB HIS 79 2HB HIS 79 12.293 -5.205 0.888 591 HD1 HIS 79 HD1 HIS 79 9.734 -5.399 -1.775 592 HD2 HIS 79 HD2 HIS 79 11.042 -2.645 1.050 593 HE1 HIS 79 HE1 HIS 79 7.940 -3.640 -1.668 594 HE2 HIS 79 HE2 HIS 79 8.729 -2.009 0.083 595 H GLY 80 H GLY 80 14.328 -4.381 1.290 596 1HA GLY 80 1HA GLY 80 14.061 -1.665 1.746 597 2HA GLY 80 2HA GLY 80 15.343 -2.654 2.422 598 H GLN 81 H GLN 81 16.506 -3.296 -0.175 599 HA GLN 81 HA GLN 81 18.284 -1.105 -0.410 600 1HB GLN 81 1HB GLN 81 18.752 -3.550 -0.970 601 2HB GLN 81 2HB GLN 81 17.882 -3.273 -2.474 602 1HG GLN 81 1HG GLN 81 20.120 -3.004 -3.043 603 2HG GLN 81 2HG GLN 81 19.517 -1.357 -2.867 604 1HE2 GLN 81 2HE2 GLN 81 22.235 -2.538 -2.624 605 2HE2 GLN 81 1HE2 GLN 81 22.809 -2.028 -1.076 606 H ALA 82 H ALA 82 15.491 -2.189 -2.264 607 HA ALA 82 HA ALA 82 15.757 -0.337 -4.389 608 1HB ALA 82 1HB ALA 82 13.369 -1.856 -3.365 609 2HB ALA 82 2HB ALA 82 13.362 -0.878 -4.833 610 3HB ALA 82 3HB ALA 82 14.420 -2.284 -4.715 611 H VAL 83 H VAL 83 13.327 -0.317 -1.739 612 HA VAL 83 HA VAL 83 12.340 2.242 -2.190 613 HB VAL 83 HB VAL 83 12.574 1.016 0.561 614 1HG1 VAL 83 1HG1 VAL 83 11.666 3.392 0.157 615 2HG1 VAL 83 2HG1 VAL 83 10.259 2.577 -0.521 616 3HG1 VAL 83 3HG1 VAL 83 10.722 2.288 1.156 617 1HG2 VAL 83 1HG2 VAL 83 10.729 0.292 -1.693 618 2HG2 VAL 83 2HG2 VAL 83 11.679 -0.771 -0.655 619 3HG2 VAL 83 3HG2 VAL 83 10.263 0.059 -0.009 620 H SER 84 H SER 84 15.364 1.317 -0.732 621 HA SER 84 HA SER 84 15.767 3.772 0.707 622 1HB SER 84 1HB SER 84 17.531 1.430 0.022 623 2HB SER 84 2HB SER 84 18.186 2.878 0.786 624 HG SER 84 HG SER 84 17.048 2.468 2.581 625 H LEU 85 H LEU 85 16.865 2.432 -2.380 626 HA LEU 85 HA LEU 85 18.610 4.543 -3.047 627 1HB LEU 85 1HB LEU 85 17.206 2.429 -4.643 628 2HB LEU 85 2HB LEU 85 18.158 3.668 -5.438 629 HG LEU 85 HG LEU 85 19.175 1.674 -3.414 630 1HD1 LEU 85 1HD1 LEU 85 19.679 1.952 -6.375 631 2HD1 LEU 85 2HD1 LEU 85 20.460 0.791 -5.300 632 3HD1 LEU 85 3HD1 LEU 85 18.724 0.690 -5.595 633 1HD2 LEU 85 1HD2 LEU 85 20.512 3.979 -4.812 634 2HD2 LEU 85 2HD2 LEU 85 20.418 3.658 -3.080 635 3HD2 LEU 85 3HD2 LEU 85 21.412 2.631 -4.113 636 H LEU 86 H LEU 86 15.191 3.986 -3.781 637 HA LEU 86 HA LEU 86 14.900 6.201 -5.508 638 1HB LEU 86 1HB LEU 86 12.940 4.570 -3.919 639 2HB LEU 86 2HB LEU 86 12.427 5.929 -4.903 640 HG LEU 86 HG LEU 86 13.875 3.485 -5.927 641 1HD1 LEU 86 1HD1 LEU 86 11.498 3.163 -5.166 642 2HD1 LEU 86 2HD1 LEU 86 11.025 4.304 -6.424 643 3HD1 LEU 86 3HD1 LEU 86 11.814 2.787 -6.859 644 1HD2 LEU 86 1HD2 LEU 86 12.783 5.922 -7.324 645 2HD2 LEU 86 2HD2 LEU 86 14.456 5.365 -7.279 646 3HD2 LEU 86 3HD2 LEU 86 13.240 4.434 -8.153 647 H LYS 87 H LYS 87 14.160 5.796 -2.055 648 HA LYS 87 HA LYS 87 13.118 8.356 -1.636 649 1HB LYS 87 1HB LYS 87 14.388 6.327 0.171 650 2HB LYS 87 2HB LYS 87 13.908 7.901 0.791 651 1HG LYS 87 1HG LYS 87 11.632 7.514 0.290 652 2HG LYS 87 2HG LYS 87 12.017 6.093 -0.683 653 1HD LYS 87 1HD LYS 87 12.591 4.822 1.221 654 2HD LYS 87 2HD LYS 87 12.650 6.253 2.252 655 1HE LYS 87 1HE LYS 87 10.172 6.527 1.739 656 2HE LYS 87 2HE LYS 87 10.238 4.892 1.080 657 1HZ LYS 87 1HZ LYS 87 11.000 5.633 3.854 658 2HZ LYS 87 2HZ LYS 87 9.519 4.950 3.409 659 3HZ LYS 87 3HZ LYS 87 10.951 4.070 3.212 660 H THR 88 H THR 88 16.503 7.206 -1.243 661 HA THR 88 HA THR 88 17.467 9.655 -0.253 662 HB THR 88 HB THR 88 18.597 7.500 0.084 663 HG1 THR 88 HG1 THR 88 20.213 9.329 -1.358 664 1HG2 THR 88 1HG2 THR 88 19.572 7.656 -2.745 665 2HG2 THR 88 2HG2 THR 88 19.807 6.363 -1.568 666 3HG2 THR 88 3HG2 THR 88 18.210 6.648 -2.259 667 H PHE 89 H PHE 89 16.984 8.548 -3.559 668 HA PHE 89 HA PHE 89 18.795 9.991 -4.997 669 1HB PHE 89 1HB PHE 89 15.938 9.324 -5.590 670 2HB PHE 89 2HB PHE 89 16.874 10.272 -6.730 671 HD1 PHE 89 HD1 PHE 89 19.556 8.760 -6.335 672 HD2 PHE 89 HD2 PHE 89 15.538 7.463 -6.915 673 HE1 PHE 89 HE1 PHE 89 20.374 6.672 -7.328 674 HE2 PHE 89 HE2 PHE 89 16.360 5.375 -7.916 675 HZ PHE 89 HZ PHE 89 18.779 4.976 -8.121 676 H GLN 90 H GLN 90 18.213 11.854 -6.546 677 HA GLN 90 HA GLN 90 17.774 14.182 -4.890 678 1HB GLN 90 1HB GLN 90 18.572 13.960 -7.802 679 2HB GLN 90 2HB GLN 90 18.663 15.412 -6.814 680 1HG GLN 90 1HG GLN 90 20.415 14.554 -5.517 681 2HG GLN 90 2HG GLN 90 20.141 12.907 -6.083 682 1HE2 GLN 90 2HE2 GLN 90 22.089 15.538 -6.368 683 2HE2 GLN 90 1HE2 GLN 90 22.789 15.215 -7.915 684 H ASN 91 H ASN 91 16.796 15.713 -7.465 685 HA ASN 91 HA ASN 91 14.006 15.410 -6.843 686 1HB ASN 91 1HB ASN 91 15.501 17.226 -8.735 687 2HB ASN 91 2HB ASN 91 13.750 17.259 -8.549 688 1HD2 ASN 91 2HD2 ASN 91 16.667 18.451 -7.434 689 2HD2 ASN 91 1HD2 ASN 91 16.105 19.203 -5.983 690 H THR 92 H THR 92 15.589 15.573 -10.051 691 HA THR 92 HA THR 92 13.459 14.018 -11.207 692 HB THR 92 HB THR 92 15.859 14.425 -12.866 693 HG1 THR 92 HG1 THR 92 16.191 16.360 -12.062 694 1HG2 THR 92 1HG2 THR 92 13.450 15.830 -13.634 695 2HG2 THR 92 2HG2 THR 92 14.380 14.609 -14.502 696 3HG2 THR 92 3HG2 THR 92 13.167 14.117 -13.320 697 H VAL 93 H VAL 93 13.410 11.891 -11.551 698 HA VAL 93 HA VAL 93 15.902 10.353 -11.173 699 HB VAL 93 HB VAL 93 13.137 9.348 -10.490 700 1HG1 VAL 93 1HG1 VAL 93 14.844 7.653 -11.002 701 2HG1 VAL 93 2HG1 VAL 93 15.869 8.323 -9.733 702 3HG1 VAL 93 3HG1 VAL 93 14.319 7.590 -9.319 703 1HG2 VAL 93 1HG2 VAL 93 13.772 11.276 -9.053 704 2HG2 VAL 93 2HG2 VAL 93 13.607 9.761 -8.166 705 3HG2 VAL 93 3HG2 VAL 93 15.209 10.383 -8.557 706 H GLU 94 H GLU 94 16.519 9.311 -12.948 707 HA GLU 94 HA GLU 94 14.551 8.786 -15.053 708 1HB GLU 94 1HB GLU 94 17.515 9.131 -14.986 709 2HB GLU 94 2HB GLU 94 16.821 8.146 -16.267 710 1HG GLU 94 1HG GLU 94 15.715 9.924 -17.223 711 2HG GLU 94 2HG GLU 94 15.707 10.857 -15.727 712 H LEU 95 H LEU 95 13.562 6.867 -14.763 713 HA LEU 95 HA LEU 95 15.182 4.552 -13.944 714 1HB LEU 95 1HB LEU 95 12.180 4.889 -13.971 715 2HB LEU 95 2HB LEU 95 13.043 3.477 -13.383 716 HG LEU 95 HG LEU 95 14.190 5.223 -11.783 717 1HD1 LEU 95 1HD1 LEU 95 11.668 6.601 -12.659 718 2HD1 LEU 95 2HD1 LEU 95 12.431 6.920 -11.102 719 3HD1 LEU 95 3HD1 LEU 95 13.308 7.246 -12.596 720 1HD2 LEU 95 1HD2 LEU 95 11.374 4.207 -11.416 721 2HD2 LEU 95 2HD2 LEU 95 12.861 3.338 -11.038 722 3HD2 LEU 95 3HD2 LEU 95 12.428 4.784 -10.124 723 H ILE 96 H ILE 96 14.574 2.454 -14.912 724 HA ILE 96 HA ILE 96 13.835 2.715 -17.756 725 HB ILE 96 HB ILE 96 15.906 0.860 -16.530 726 1HG1 ILE 96 1HG1 ILE 96 17.406 2.088 -18.187 727 2HG1 ILE 96 2HG1 ILE 96 16.094 3.249 -18.362 728 1HG2 ILE 96 1HG2 ILE 96 14.942 1.025 -19.387 729 2HG2 ILE 96 2HG2 ILE 96 16.372 0.139 -18.857 730 3HG2 ILE 96 3HG2 ILE 96 14.774 -0.345 -18.291 731 1HD1 ILE 96 1HD1 ILE 96 16.871 2.702 -15.595 732 2HD1 ILE 96 2HD1 ILE 96 18.120 3.456 -16.585 733 3HD1 ILE 96 3HD1 ILE 96 16.547 4.232 -16.410 734 H ILE 97 H ILE 97 12.204 1.415 -18.432 735 HA ILE 97 HA ILE 97 11.319 -0.742 -16.621 736 HB ILE 97 HB ILE 97 8.981 -0.202 -17.225 737 1HG1 ILE 97 1HG1 ILE 97 10.147 2.326 -18.410 738 2HG1 ILE 97 2HG1 ILE 97 9.543 0.974 -19.364 739 1HG2 ILE 97 1HG2 ILE 97 10.699 1.827 -15.840 740 2HG2 ILE 97 2HG2 ILE 97 8.950 2.029 -15.945 741 3HG2 ILE 97 3HG2 ILE 97 9.628 0.614 -15.139 742 1HD1 ILE 97 1HD1 ILE 97 7.830 2.401 -17.361 743 2HD1 ILE 97 2HD1 ILE 97 7.990 2.947 -19.030 744 3HD1 ILE 97 3HD1 ILE 97 7.333 1.348 -18.685 745 H VAL 98 H VAL 98 9.817 -2.307 -17.700 746 HA VAL 98 HA VAL 98 10.299 -2.637 -20.569 747 HB VAL 98 HB VAL 98 10.991 -4.718 -18.474 748 1HG1 VAL 98 1HG1 VAL 98 9.933 -5.601 -20.659 749 2HG1 VAL 98 2HG1 VAL 98 11.443 -5.101 -21.418 750 3HG1 VAL 98 3HG1 VAL 98 11.461 -6.298 -20.126 751 1HG2 VAL 98 1HG2 VAL 98 12.691 -3.205 -20.444 752 2HG2 VAL 98 2HG2 VAL 98 12.689 -3.030 -18.690 753 3HG2 VAL 98 3HG2 VAL 98 13.260 -4.527 -19.426 754 H ARG 99 H ARG 99 8.727 -3.768 -21.650 755 HA ARG 99 HA ARG 99 6.351 -4.545 -20.087 756 1HB ARG 99 1HB ARG 99 6.528 -2.731 -22.183 757 2HB ARG 99 2HB ARG 99 5.950 -4.191 -22.974 758 1HG ARG 99 1HG ARG 99 3.924 -3.462 -22.371 759 2HG ARG 99 2HG ARG 99 4.344 -4.110 -20.784 760 1HD ARG 99 1HD ARG 99 4.861 -2.011 -19.926 761 2HD ARG 99 2HD ARG 99 5.086 -1.305 -21.525 762 HE ARG 99 HE ARG 99 2.651 -1.471 -20.051 763 1HH1 ARG 99 1HH1 ARG 99 3.925 -1.472 -23.322 764 2HH1 ARG 99 2HH1 ARG 99 2.461 -0.857 -24.015 765 1HH2 ARG 99 1HH2 ARG 99 0.744 -0.664 -20.982 766 2HH2 ARG 99 2HH2 ARG 99 0.664 -0.400 -22.692 767 H GLU 100 H GLU 100 6.500 -6.694 -19.766 768 HA GLU 100 HA GLU 100 7.917 -8.501 -21.345 769 1HB GLU 100 1HB GLU 100 5.631 -8.957 -19.430 770 2HB GLU 100 2HB GLU 100 6.584 -10.255 -20.139 771 1HG GLU 100 1HG GLU 100 8.166 -8.149 -18.862 772 2HG GLU 100 2HG GLU 100 7.113 -9.041 -17.766 773 H VAL 101 H VAL 101 7.559 -9.232 -23.316 774 HA VAL 101 HA VAL 101 4.846 -9.126 -24.425 775 HB VAL 101 HB VAL 101 7.402 -9.737 -25.917 776 1HG1 VAL 101 1HG1 VAL 101 5.280 -10.422 -26.983 777 2HG1 VAL 101 2HG1 VAL 101 4.733 -8.748 -26.911 778 3HG1 VAL 101 3HG1 VAL 101 6.135 -9.177 -27.891 779 1HG2 VAL 101 1HG2 VAL 101 7.578 -7.529 -24.877 780 2HG2 VAL 101 2HG2 VAL 101 7.419 -7.403 -26.629 781 3HG2 VAL 101 3HG2 VAL 101 6.033 -7.067 -25.592 782 H SER 102 H SER 102 3.683 -10.930 -24.186 783 HA SER 102 HA SER 102 5.024 -13.517 -24.029 784 1HB SER 102 1HB SER 102 2.782 -14.371 -23.374 785 2HB SER 102 2HB SER 102 3.341 -13.063 -22.332 786 HG SER 102 HG SER 102 1.790 -11.810 -23.051 787 H SER 103 H SER 103 5.649 -13.650 -26.243 788 HA SER 103 HA SER 103 3.417 -14.239 -28.083 789 1HB SER 103 1HB SER 103 5.011 -13.641 -29.923 790 2HB SER 103 2HB SER 103 4.610 -12.287 -28.864 791 HG SER 103 HG SER 103 6.589 -12.470 -27.891 792 1H THR 301 1H THR 301 0.865 -2.355 6.189 793 2H THR 301 2H THR 301 0.716 -3.744 7.185 794 3H THR 301 3H THR 301 0.520 -2.178 7.859 795 HA THR 301 HA THR 301 -1.540 -3.481 7.440 796 HB THR 301 HB THR 301 -1.410 -0.848 5.980 797 HG1 THR 301 HG1 THR 301 -1.339 -1.239 8.787 798 1HG2 THR 301 1HG2 THR 301 -3.470 -0.471 7.452 799 2HG2 THR 301 2HG2 THR 301 -3.623 -1.536 6.054 800 3HG2 THR 301 3HG2 THR 301 -3.458 -2.220 7.671 801 H GLY 302 H GLY 302 0.367 -4.414 5.330 802 1HA GLY 302 1HA GLY 302 -1.315 -5.549 3.516 803 2HA GLY 302 2HA GLY 302 -0.960 -3.981 2.807 804 H TRP 303 H TRP 303 0.827 -3.794 1.590 805 HA TRP 303 HA TRP 303 3.207 -5.272 2.099 806 1HB TRP 303 1HB TRP 303 3.150 -6.395 -0.240 807 2HB TRP 303 2HB TRP 303 2.300 -7.163 1.094 808 HD1 TRP 303 HD1 TRP 303 -0.333 -7.342 0.930 809 HE1 TRP 303 HE1 TRP 303 -1.997 -6.974 -0.996 810 HE3 TRP 303 HE3 TRP 303 2.739 -4.888 -2.339 811 HZ2 TRP 303 HZ2 TRP 303 -2.006 -5.803 -3.561 812 HZ3 TRP 303 HZ3 TRP 303 1.824 -4.182 -4.510 813 HH2 TRP 303 HH2 TRP 303 -0.501 -4.631 -5.108 814 H GLU 304 H GLU 304 1.355 -3.429 -0.307 815 HA GLU 304 HA GLU 304 3.543 -2.552 -1.835 816 1HB GLU 304 1HB GLU 304 2.007 -0.688 -2.529 817 2HB GLU 304 2HB GLU 304 1.341 -2.305 -2.728 818 1HG GLU 304 1HG GLU 304 0.715 -1.184 -0.131 819 2HG GLU 304 2HG GLU 304 0.148 -0.162 -1.449 820 H THR 305 H THR 305 4.704 -0.602 -1.842 821 HA THR 305 HA THR 305 4.609 0.962 0.656 822 HB THR 305 HB THR 305 7.171 0.353 -0.825 823 HG1 THR 305 HG1 THR 305 6.551 -1.617 -0.105 824 1HG2 THR 305 1HG2 THR 305 8.184 0.836 1.385 825 2HG2 THR 305 2HG2 THR 305 7.390 2.223 0.639 826 3HG2 THR 305 3HG2 THR 305 6.596 1.352 1.951 827 H TRP 306 H TRP 306 4.204 3.039 0.281 828 HA TRP 306 HA TRP 306 4.438 4.104 -2.404 829 1HB TRP 306 1HB TRP 306 3.327 5.212 0.173 830 2HB TRP 306 2HB TRP 306 3.455 6.180 -1.292 831 HD1 TRP 306 HD1 TRP 306 1.328 3.541 0.354 832 HE1 TRP 306 HE1 TRP 306 -0.699 3.017 -1.143 833 HE3 TRP 306 HE3 TRP 306 2.762 6.046 -3.867 834 HZ2 TRP 306 HZ2 TRP 306 -1.574 3.589 -3.764 835 HZ3 TRP 306 HZ3 TRP 306 1.273 6.008 -5.825 836 HH2 TRP 306 HH2 TRP 306 -0.851 4.804 -5.773 837 H VAL 307 H VAL 307 6.423 4.701 -3.020 838 HA VAL 307 HA VAL 307 8.350 5.749 -1.146 839 HB VAL 307 HB VAL 307 9.809 5.990 -3.157 840 1HG1 VAL 307 1HG1 VAL 307 8.512 3.340 -2.579 841 2HG1 VAL 307 2HG1 VAL 307 9.918 3.510 -3.630 842 3HG1 VAL 307 3HG1 VAL 307 10.022 3.983 -1.934 843 1HG2 VAL 307 1HG2 VAL 307 7.849 6.335 -4.723 844 2HG2 VAL 307 2HG2 VAL 307 9.120 5.256 -5.295 845 3HG2 VAL 307 3HG2 VAL 307 7.614 4.588 -4.664 Start of MODEL 14 1 1H GLY 1 1H GLY 1 18.738 -18.438 -40.192 2 2H GLY 1 2H GLY 1 18.427 -19.902 -39.404 3 3H GLY 1 3H GLY 1 18.311 -19.809 -41.089 4 1HA GLY 1 1HA GLY 1 20.345 -20.862 -40.718 5 2HA GLY 1 2HA GLY 1 20.741 -19.195 -41.106 6 H SER 2 H SER 2 19.873 -18.162 -38.525 7 HA SER 2 HA SER 2 21.623 -19.459 -36.598 8 1HB SER 2 1HB SER 2 23.022 -17.828 -37.953 9 2HB SER 2 2HB SER 2 22.038 -16.540 -37.258 10 HG SER 2 HG SER 2 24.026 -18.061 -36.111 11 H HIS 3 H HIS 3 20.569 -19.521 -34.734 12 HA HIS 3 HA HIS 3 18.377 -17.652 -34.262 13 1HB HIS 3 1HB HIS 3 19.174 -20.298 -33.099 14 2HB HIS 3 2HB HIS 3 18.082 -19.244 -32.206 15 HD1 HIS 3 HD1 HIS 3 18.168 -21.708 -34.901 16 HD2 HIS 3 HD2 HIS 3 15.620 -18.672 -33.652 17 HE1 HIS 3 HE1 HIS 3 15.976 -22.152 -36.053 18 HE2 HIS 3 HE2 HIS 3 14.426 -20.353 -35.214 19 H MET 4 H MET 4 18.292 -16.222 -32.584 20 HA MET 4 HA MET 4 20.776 -15.880 -31.029 21 1HB MET 4 1HB MET 4 19.778 -14.077 -32.717 22 2HB MET 4 2HB MET 4 18.806 -13.659 -31.313 23 1HG MET 4 1HG MET 4 21.561 -13.952 -30.552 24 2HG MET 4 2HG MET 4 21.427 -12.845 -31.914 25 1HE MET 4 1HE MET 4 22.711 -11.522 -30.149 26 2HE MET 4 2HE MET 4 21.899 -10.335 -29.129 27 3HE MET 4 3HE MET 4 22.260 -11.941 -28.497 28 H GLY 5 H GLY 5 20.234 -14.473 -28.957 29 1HA GLY 5 1HA GLY 5 18.727 -16.140 -27.242 30 2HA GLY 5 2HA GLY 5 19.373 -14.559 -26.829 31 H HIS 6 H HIS 6 17.078 -15.049 -25.674 32 HA HIS 6 HA HIS 6 14.872 -14.177 -27.348 33 1HB HIS 6 1HB HIS 6 13.495 -14.513 -25.323 34 2HB HIS 6 2HB HIS 6 14.439 -15.942 -25.726 35 HD1 HIS 6 HD1 HIS 6 16.566 -16.396 -24.186 36 HD2 HIS 6 HD2 HIS 6 13.929 -13.493 -22.815 37 HE1 HIS 6 HE1 HIS 6 17.126 -16.071 -21.756 38 HE2 HIS 6 HE2 HIS 6 15.446 -14.390 -20.923 39 H GLU 7 H GLU 7 15.842 -12.085 -27.814 40 HA GLU 7 HA GLU 7 15.066 -10.122 -25.792 41 1HB GLU 7 1HB GLU 7 17.803 -10.541 -26.864 42 2HB GLU 7 2HB GLU 7 17.265 -8.873 -26.710 43 1HG GLU 7 1HG GLU 7 16.986 -10.777 -24.424 44 2HG GLU 7 2HG GLU 7 18.525 -9.983 -24.753 45 H LEU 8 H LEU 8 13.929 -11.046 -28.362 46 HA LEU 8 HA LEU 8 14.224 -8.630 -30.008 47 1HB LEU 8 1HB LEU 8 13.417 -11.442 -30.560 48 2HB LEU 8 2HB LEU 8 12.678 -10.184 -31.536 49 HG LEU 8 HG LEU 8 15.663 -10.449 -31.225 50 1HD1 LEU 8 1HD1 LEU 8 13.888 -11.619 -33.362 51 2HD1 LEU 8 2HD1 LEU 8 15.650 -11.552 -33.420 52 3HD1 LEU 8 3HD1 LEU 8 14.845 -12.517 -32.184 53 1HD2 LEU 8 1HD2 LEU 8 13.889 -8.999 -33.183 54 2HD2 LEU 8 2HD2 LEU 8 14.944 -8.279 -31.967 55 3HD2 LEU 8 3HD2 LEU 8 15.640 -9.147 -33.336 56 H ALA 9 H ALA 9 11.807 -10.704 -28.469 57 HA ALA 9 HA ALA 9 9.683 -8.798 -29.017 58 1HB ALA 9 1HB ALA 9 9.796 -11.532 -27.797 59 2HB ALA 9 2HB ALA 9 8.365 -10.520 -27.600 60 3HB ALA 9 3HB ALA 9 8.905 -10.980 -29.215 61 H LYS 10 H LYS 10 10.209 -6.979 -27.822 62 HA LYS 10 HA LYS 10 9.441 -6.960 -25.095 63 1HB LYS 10 1HB LYS 10 12.040 -7.792 -25.429 64 2HB LYS 10 2HB LYS 10 12.245 -6.066 -25.168 65 1HG LYS 10 1HG LYS 10 12.258 -6.641 -23.003 66 2HG LYS 10 2HG LYS 10 10.505 -6.663 -23.188 67 1HD LYS 10 1HD LYS 10 10.639 -9.087 -23.708 68 2HD LYS 10 2HD LYS 10 12.372 -9.026 -23.380 69 1HE LYS 10 1HE LYS 10 10.330 -8.142 -21.361 70 2HE LYS 10 2HE LYS 10 10.841 -9.824 -21.497 71 1HZ LYS 10 1HZ LYS 10 12.720 -7.568 -21.070 72 2HZ LYS 10 2HZ LYS 10 12.072 -8.498 -19.814 73 3HZ LYS 10 3HZ LYS 10 13.065 -9.221 -20.979 74 H GLN 11 H GLN 11 9.985 -4.712 -24.092 75 HA GLN 11 HA GLN 11 10.241 -2.615 -26.113 76 1HB GLN 11 1HB GLN 11 7.758 -3.382 -25.585 77 2HB GLN 11 2HB GLN 11 7.980 -2.338 -24.187 78 1HG GLN 11 1HG GLN 11 8.268 -0.435 -25.507 79 2HG GLN 11 2HG GLN 11 8.569 -1.382 -26.963 80 1HE2 GLN 11 2HE2 GLN 11 6.622 -2.980 -27.362 81 2HE2 GLN 11 1HE2 GLN 11 5.075 -2.212 -27.365 82 H GLU 12 H GLU 12 12.113 -1.848 -25.192 83 HA GLU 12 HA GLU 12 12.109 -1.166 -22.341 84 1HB GLU 12 1HB GLU 12 13.991 -2.449 -23.593 85 2HB GLU 12 2HB GLU 12 14.466 -0.859 -24.175 86 1HG GLU 12 1HG GLU 12 14.611 -0.117 -21.799 87 2HG GLU 12 2HG GLU 12 14.328 -1.790 -21.319 88 H ILE 13 H ILE 13 12.036 0.875 -21.585 89 HA ILE 13 HA ILE 13 12.776 3.122 -23.265 90 HB ILE 13 HB ILE 13 10.641 4.336 -22.829 91 1HG1 ILE 13 1HG1 ILE 13 9.884 2.819 -20.962 92 2HG1 ILE 13 2HG1 ILE 13 8.652 3.179 -22.162 93 1HG2 ILE 13 1HG2 ILE 13 11.222 3.238 -24.986 94 2HG2 ILE 13 2HG2 ILE 13 10.270 1.843 -24.478 95 3HG2 ILE 13 3HG2 ILE 13 9.489 3.408 -24.704 96 1HD1 ILE 13 1HD1 ILE 13 9.437 0.911 -23.210 97 2HD1 ILE 13 2HD1 ILE 13 10.044 0.613 -21.581 98 3HD1 ILE 13 3HD1 ILE 13 8.330 0.938 -21.836 99 H ARG 14 H ARG 14 12.672 5.227 -22.043 100 HA ARG 14 HA ARG 14 13.131 4.774 -19.157 101 1HB ARG 14 1HB ARG 14 15.095 5.432 -20.782 102 2HB ARG 14 2HB ARG 14 14.421 7.049 -20.615 103 1HG ARG 14 1HG ARG 14 14.603 6.764 -18.132 104 2HG ARG 14 2HG ARG 14 15.493 5.278 -18.436 105 1HD ARG 14 1HD ARG 14 16.524 7.560 -19.937 106 2HD ARG 14 2HD ARG 14 16.574 7.790 -18.190 107 HE ARG 14 HE ARG 14 17.626 5.276 -19.200 108 1HH1 ARG 14 1HH1 ARG 14 18.406 8.535 -18.123 109 2HH1 ARG 14 2HH1 ARG 14 20.035 8.122 -17.719 110 1HH2 ARG 14 1HH2 ARG 14 19.769 4.783 -18.680 111 2HH2 ARG 14 2HH2 ARG 14 20.806 6.011 -18.036 112 H VAL 15 H VAL 15 12.663 6.571 -17.713 113 HA VAL 15 HA VAL 15 10.904 8.661 -18.770 114 HB VAL 15 HB VAL 15 9.243 8.239 -16.969 115 1HG1 VAL 15 1HG1 VAL 15 9.734 6.072 -19.001 116 2HG1 VAL 15 2HG1 VAL 15 8.263 6.179 -18.035 117 3HG1 VAL 15 3HG1 VAL 15 8.683 7.480 -19.150 118 1HG2 VAL 15 1HG2 VAL 15 10.800 5.682 -16.589 119 2HG2 VAL 15 2HG2 VAL 15 10.661 7.002 -15.428 120 3HG2 VAL 15 3HG2 VAL 15 9.240 6.050 -15.854 121 H ARG 16 H ARG 16 10.614 10.478 -17.361 122 HA ARG 16 HA ARG 16 12.671 10.682 -15.249 123 1HB ARG 16 1HB ARG 16 11.937 12.459 -17.471 124 2HB ARG 16 2HB ARG 16 12.096 13.296 -15.933 125 1HG ARG 16 1HG ARG 16 14.212 13.416 -16.914 126 2HG ARG 16 2HG ARG 16 14.344 12.126 -15.713 127 1HD ARG 16 1HD ARG 16 15.400 11.422 -17.762 128 2HD ARG 16 2HD ARG 16 13.934 10.484 -17.486 129 HE ARG 16 HE ARG 16 13.762 12.830 -19.216 130 1HH1 ARG 16 1HH1 ARG 16 13.846 9.298 -19.051 131 2HH1 ARG 16 2HH1 ARG 16 13.153 9.117 -20.621 132 1HH2 ARG 16 1HH2 ARG 16 12.886 12.529 -21.263 133 2HH2 ARG 16 2HH2 ARG 16 12.619 10.929 -21.869 134 H VAL 17 H VAL 17 11.903 10.799 -13.244 135 HA VAL 17 HA VAL 17 9.259 12.042 -12.799 136 HB VAL 17 HB VAL 17 10.585 10.054 -10.951 137 1HG1 VAL 17 1HG1 VAL 17 8.918 11.513 -9.928 138 2HG1 VAL 17 2HG1 VAL 17 7.742 11.041 -11.155 139 3HG1 VAL 17 3HG1 VAL 17 8.341 9.848 -10.003 140 1HG2 VAL 17 1HG2 VAL 17 8.549 9.537 -13.117 141 2HG2 VAL 17 2HG2 VAL 17 10.188 8.892 -13.025 142 3HG2 VAL 17 3HG2 VAL 17 8.975 8.390 -11.847 143 H GLU 18 H GLU 18 9.275 13.901 -11.680 144 HA GLU 18 HA GLU 18 11.722 14.631 -10.225 145 1HB GLU 18 1HB GLU 18 9.483 16.291 -11.377 146 2HB GLU 18 2HB GLU 18 10.728 16.962 -10.333 147 1HG GLU 18 1HG GLU 18 12.431 16.474 -11.910 148 2HG GLU 18 2HG GLU 18 11.332 15.504 -12.891 149 H LYS 19 H LYS 19 11.751 14.786 -8.077 150 HA LYS 19 HA LYS 19 9.495 14.066 -6.512 151 1HB LYS 19 1HB LYS 19 12.303 14.321 -6.151 152 2HB LYS 19 2HB LYS 19 11.540 15.302 -4.910 153 1HG LYS 19 1HG LYS 19 11.937 13.069 -4.092 154 2HG LYS 19 2HG LYS 19 10.203 13.368 -4.217 155 1HD LYS 19 1HD LYS 19 10.565 11.191 -5.067 156 2HD LYS 19 2HD LYS 19 10.293 12.228 -6.467 157 1HE LYS 19 1HE LYS 19 12.122 11.049 -7.177 158 2HE LYS 19 2HE LYS 19 12.912 12.430 -6.420 159 1HZ LYS 19 1HZ LYS 19 12.983 10.987 -4.350 160 2HZ LYS 19 2HZ LYS 19 12.613 9.686 -5.364 161 3HZ LYS 19 3HZ LYS 19 14.035 10.571 -5.607 162 H ASP 20 H ASP 20 7.841 15.336 -5.949 163 HA ASP 20 HA ASP 20 8.136 17.835 -4.728 164 1HB ASP 20 1HB ASP 20 8.647 18.394 -7.195 165 2HB ASP 20 2HB ASP 20 6.926 18.139 -7.471 166 HA PRO 21 HA PRO 21 7.692 17.039 -2.911 167 1HB PRO 21 1HB PRO 21 6.206 15.527 -1.011 168 2HB PRO 21 2HB PRO 21 6.452 17.273 -1.035 169 1HG PRO 21 1HG PRO 21 4.019 15.975 -1.423 170 2HG PRO 21 2HG PRO 21 4.375 17.654 -1.860 171 1HD PRO 21 1HD PRO 21 4.358 15.209 -3.583 172 2HD PRO 21 2HD PRO 21 3.817 16.859 -3.958 173 H GLU 22 H GLU 22 6.017 14.254 -4.196 174 HA GLU 22 HA GLU 22 8.412 12.634 -3.657 175 1HB GLU 22 1HB GLU 22 5.545 11.819 -3.171 176 2HB GLU 22 2HB GLU 22 6.875 10.670 -3.254 177 1HG GLU 22 1HG GLU 22 7.968 11.923 -1.394 178 2HG GLU 22 2HG GLU 22 6.494 12.881 -1.253 179 H LEU 23 H LEU 23 7.990 10.370 -4.897 180 HA LEU 23 HA LEU 23 8.109 10.999 -7.641 181 1HB LEU 23 1HB LEU 23 7.747 8.337 -6.258 182 2HB LEU 23 2HB LEU 23 8.074 8.523 -7.971 183 HG LEU 23 HG LEU 23 10.128 9.967 -6.874 184 1HD1 LEU 23 1HD1 LEU 23 9.463 7.717 -4.998 185 2HD1 LEU 23 2HD1 LEU 23 11.082 8.401 -5.135 186 3HD1 LEU 23 3HD1 LEU 23 9.736 9.416 -4.616 187 1HD2 LEU 23 1HD2 LEU 23 10.047 7.040 -7.594 188 2HD2 LEU 23 2HD2 LEU 23 10.437 8.393 -8.656 189 3HD2 LEU 23 3HD2 LEU 23 11.530 7.960 -7.340 190 H GLY 24 H GLY 24 5.647 9.132 -5.839 191 1HA GLY 24 1HA GLY 24 3.304 9.619 -6.119 192 2HA GLY 24 2HA GLY 24 3.646 10.121 -7.764 193 H PHE 25 H PHE 25 4.954 7.142 -6.406 194 HA PHE 25 HA PHE 25 2.842 5.511 -7.467 195 1HB PHE 25 1HB PHE 25 4.112 4.364 -9.184 196 2HB PHE 25 2HB PHE 25 4.074 6.087 -9.534 197 HD1 PHE 25 HD1 PHE 25 6.175 3.296 -8.402 198 HD2 PHE 25 HD2 PHE 25 6.073 7.392 -9.556 199 HE1 PHE 25 HE1 PHE 25 8.628 3.300 -8.590 200 HE2 PHE 25 HE2 PHE 25 8.526 7.401 -9.750 201 HZ PHE 25 HZ PHE 25 9.806 5.354 -9.266 202 H SER 26 H SER 26 2.915 3.389 -6.764 203 HA SER 26 HA SER 26 4.815 2.899 -4.599 204 1HB SER 26 1HB SER 26 3.203 0.953 -4.132 205 2HB SER 26 2HB SER 26 2.584 2.586 -3.881 206 HG SER 26 HG SER 26 1.216 1.075 -5.115 207 H ILE 27 H ILE 27 6.007 0.989 -4.397 208 HA ILE 27 HA ILE 27 6.271 -0.617 -6.860 209 HB ILE 27 HB ILE 27 8.687 -0.874 -6.280 210 1HG1 ILE 27 1HG1 ILE 27 8.266 1.477 -4.437 211 2HG1 ILE 27 2HG1 ILE 27 8.313 -0.185 -3.855 212 1HG2 ILE 27 1HG2 ILE 27 7.917 0.717 -7.985 213 2HG2 ILE 27 2HG2 ILE 27 7.801 1.969 -6.748 214 3HG2 ILE 27 3HG2 ILE 27 9.371 1.280 -7.160 215 1HD1 ILE 27 1HD1 ILE 27 10.556 0.820 -5.531 216 2HD1 ILE 27 2HD1 ILE 27 10.455 1.303 -3.838 217 3HD1 ILE 27 3HD1 ILE 27 10.553 -0.406 -4.263 218 H SER 28 H SER 28 6.818 -2.813 -6.611 219 HA SER 28 HA SER 28 6.758 -3.909 -3.889 220 1HB SER 28 1HB SER 28 4.453 -4.054 -4.708 221 2HB SER 28 2HB SER 28 5.008 -4.869 -6.170 222 HG SER 28 HG SER 28 5.260 -6.675 -5.085 223 H GLY 29 H GLY 29 7.640 -6.086 -3.740 224 1HA GLY 29 1HA GLY 29 8.595 -7.744 -5.646 225 2HA GLY 29 2HA GLY 29 9.810 -6.476 -5.627 226 H GLY 30 H GLY 30 11.287 -6.393 -4.011 227 1HA GLY 30 1HA GLY 30 12.661 -7.221 -2.373 228 2HA GLY 30 2HA GLY 30 11.174 -7.356 -1.462 229 H VAL 31 H VAL 31 13.816 -9.027 -2.704 230 HA VAL 31 HA VAL 31 12.565 -11.603 -2.999 231 HB VAL 31 HB VAL 31 15.512 -11.050 -2.591 232 1HG1 VAL 31 1HG1 VAL 31 14.735 -13.401 -2.375 233 2HG1 VAL 31 2HG1 VAL 31 14.139 -13.316 -4.033 234 3HG1 VAL 31 3HG1 VAL 31 15.863 -13.149 -3.707 235 1HG2 VAL 31 1HG2 VAL 31 13.886 -10.977 -5.126 236 2HG2 VAL 31 2HG2 VAL 31 14.860 -9.682 -4.430 237 3HG2 VAL 31 3HG2 VAL 31 15.644 -11.115 -5.094 238 H GLY 32 H GLY 32 11.494 -12.035 -1.065 239 1HA GLY 32 1HA GLY 32 11.532 -13.336 0.889 240 2HA GLY 32 2HA GLY 32 13.235 -12.966 1.079 241 H GLY 33 H GLY 33 11.917 -9.995 0.537 242 1HA GLY 33 1HA GLY 33 11.529 -9.563 3.431 243 2HA GLY 33 2HA GLY 33 12.192 -8.370 2.330 244 H ARG 34 H ARG 34 9.527 -9.983 0.942 245 HA ARG 34 HA ARG 34 7.338 -8.767 2.134 246 1HB ARG 34 1HB ARG 34 8.820 -6.961 0.395 247 2HB ARG 34 2HB ARG 34 7.181 -7.190 -0.188 248 1HG ARG 34 1HG ARG 34 8.040 -6.176 2.512 249 2HG ARG 34 2HG ARG 34 7.207 -5.286 1.243 250 1HD ARG 34 1HD ARG 34 5.379 -5.769 2.469 251 2HD ARG 34 2HD ARG 34 5.470 -7.315 1.627 252 HE ARG 34 HE ARG 34 6.047 -8.321 3.604 253 1HH1 ARG 34 1HH1 ARG 34 6.402 -4.848 3.998 254 2HH1 ARG 34 2HH1 ARG 34 6.668 -4.954 5.706 255 1HH2 ARG 34 1HH2 ARG 34 6.396 -8.432 5.845 256 2HH2 ARG 34 2HH2 ARG 34 6.665 -6.979 6.749 257 H GLY 35 H GLY 35 8.122 -8.803 -1.336 258 1HA GLY 35 1HA GLY 35 7.674 -10.777 -2.701 259 2HA GLY 35 2HA GLY 35 6.309 -11.118 -1.651 260 H ASN 36 H ASN 36 6.335 -10.874 -4.531 261 HA ASN 36 HA ASN 36 4.442 -8.631 -4.828 262 1HB ASN 36 1HB ASN 36 5.193 -8.420 -7.185 263 2HB ASN 36 2HB ASN 36 6.483 -8.075 -6.035 264 1HD2 ASN 36 2HD2 ASN 36 7.986 -9.843 -5.573 265 2HD2 ASN 36 1HD2 ASN 36 8.387 -10.940 -6.847 266 HA PRO 37 HA PRO 37 1.891 -12.009 -6.288 267 1HB PRO 37 1HB PRO 37 -0.441 -10.753 -6.412 268 2HB PRO 37 2HB PRO 37 0.380 -10.979 -4.862 269 1HG PRO 37 1HG PRO 37 0.130 -8.530 -6.533 270 2HG PRO 37 2HG PRO 37 0.195 -8.688 -4.771 271 1HD PRO 37 1HD PRO 37 2.341 -8.039 -6.512 272 2HD PRO 37 2HD PRO 37 2.444 -8.396 -4.777 273 H PHE 38 H PHE 38 3.390 -10.324 -8.341 274 HA PHE 38 HA PHE 38 1.431 -10.455 -10.539 275 1HB PHE 38 1HB PHE 38 3.972 -8.867 -10.202 276 2HB PHE 38 2HB PHE 38 3.190 -9.061 -11.767 277 HD1 PHE 38 HD1 PHE 38 2.902 -7.592 -8.421 278 HD2 PHE 38 HD2 PHE 38 1.139 -7.923 -12.282 279 HE1 PHE 38 HE1 PHE 38 1.421 -5.696 -7.903 280 HE2 PHE 38 HE2 PHE 38 -0.344 -6.026 -11.771 281 HZ PHE 38 HZ PHE 38 -0.205 -4.912 -9.579 282 H ARG 39 H ARG 39 4.842 -11.187 -9.795 283 HA ARG 39 HA ARG 39 4.765 -13.260 -11.898 284 1HB ARG 39 1HB ARG 39 7.040 -11.534 -10.922 285 2HB ARG 39 2HB ARG 39 7.295 -12.976 -11.896 286 1HG ARG 39 1HG ARG 39 5.472 -10.783 -12.811 287 2HG ARG 39 2HG ARG 39 7.214 -10.711 -13.082 288 1HD ARG 39 1HD ARG 39 5.715 -13.172 -13.851 289 2HD ARG 39 2HD ARG 39 5.617 -11.750 -14.884 290 HE ARG 39 HE ARG 39 8.312 -12.236 -14.328 291 1HH1 ARG 39 1HH1 ARG 39 5.678 -13.751 -16.091 292 2HH1 ARG 39 2HH1 ARG 39 6.732 -14.517 -17.233 293 1HH2 ARG 39 1HH2 ARG 39 9.670 -13.251 -15.836 294 2HH2 ARG 39 2HH2 ARG 39 8.988 -14.234 -17.088 295 HA PRO 40 HA PRO 40 5.548 -16.007 -8.451 296 1HB PRO 40 1HB PRO 40 5.649 -18.346 -9.733 297 2HB PRO 40 2HB PRO 40 4.139 -17.435 -9.601 298 1HG PRO 40 1HG PRO 40 6.010 -17.679 -11.914 299 2HG PRO 40 2HG PRO 40 4.239 -17.640 -11.903 300 1HD PRO 40 1HD PRO 40 5.885 -15.473 -12.468 301 2HD PRO 40 2HD PRO 40 4.185 -15.365 -11.971 302 H ASP 41 H ASP 41 7.541 -16.493 -11.372 303 HA ASP 41 HA ASP 41 9.744 -17.455 -9.720 304 1HB ASP 41 1HB ASP 41 10.837 -17.928 -11.917 305 2HB ASP 41 2HB ASP 41 9.304 -18.762 -11.679 306 H ASP 42 H ASP 42 8.741 -14.467 -11.087 307 HA ASP 42 HA ASP 42 11.497 -13.456 -11.146 308 1HB ASP 42 1HB ASP 42 9.742 -13.052 -13.039 309 2HB ASP 42 2HB ASP 42 9.096 -11.835 -11.941 310 H ASP 43 H ASP 43 12.238 -12.505 -9.370 311 HA ASP 43 HA ASP 43 10.308 -11.338 -7.478 312 1HB ASP 43 1HB ASP 43 12.110 -11.642 -5.782 313 2HB ASP 43 2HB ASP 43 11.579 -13.153 -6.513 314 H GLY 44 H GLY 44 10.996 -9.796 -9.683 315 1HA GLY 44 1HA GLY 44 13.084 -7.936 -8.856 316 2HA GLY 44 2HA GLY 44 12.166 -7.876 -10.355 317 H ILE 45 H ILE 45 11.875 -5.597 -9.997 318 HA ILE 45 HA ILE 45 9.967 -4.951 -7.843 319 HB ILE 45 HB ILE 45 11.635 -2.973 -9.401 320 1HG1 ILE 45 1HG1 ILE 45 13.115 -4.484 -8.151 321 2HG1 ILE 45 2HG1 ILE 45 13.110 -2.875 -7.436 322 1HG2 ILE 45 1HG2 ILE 45 10.083 -2.737 -6.827 323 2HG2 ILE 45 2HG2 ILE 45 11.078 -1.469 -7.541 324 3HG2 ILE 45 3HG2 ILE 45 9.639 -2.040 -8.385 325 1HD1 ILE 45 1HD1 ILE 45 11.413 -5.129 -6.408 326 2HD1 ILE 45 2HD1 ILE 45 13.041 -4.791 -5.822 327 3HD1 ILE 45 3HD1 ILE 45 11.766 -3.588 -5.626 328 H PHE 46 H PHE 46 7.961 -4.142 -8.349 329 HA PHE 46 HA PHE 46 7.424 -3.446 -11.163 330 1HB PHE 46 1HB PHE 46 5.613 -5.147 -9.440 331 2HB PHE 46 2HB PHE 46 5.341 -4.694 -11.119 332 HD1 PHE 46 HD1 PHE 46 7.895 -6.411 -9.004 333 HD2 PHE 46 HD2 PHE 46 5.895 -6.212 -12.757 334 HE1 PHE 46 HE1 PHE 46 9.072 -8.444 -9.736 335 HE2 PHE 46 HE2 PHE 46 7.068 -8.248 -13.493 336 HZ PHE 46 HZ PHE 46 8.659 -9.363 -11.982 337 H VAL 47 H VAL 47 5.773 -1.918 -11.525 338 HA VAL 47 HA VAL 47 5.228 -0.202 -9.227 339 HB VAL 47 HB VAL 47 4.577 0.363 -12.122 340 1HG1 VAL 47 1HG1 VAL 47 3.482 1.709 -10.289 341 2HG1 VAL 47 2HG1 VAL 47 5.091 2.311 -9.892 342 3HG1 VAL 47 3HG1 VAL 47 4.399 2.630 -11.482 343 1HG2 VAL 47 1HG2 VAL 47 7.018 -0.139 -11.698 344 2HG2 VAL 47 2HG2 VAL 47 6.662 1.446 -12.384 345 3HG2 VAL 47 3HG2 VAL 47 7.040 1.293 -10.668 346 H THR 48 H THR 48 3.687 -1.832 -8.379 347 HA THR 48 HA THR 48 1.427 -2.875 -9.293 348 HB THR 48 HB THR 48 2.102 -3.048 -6.970 349 HG1 THR 48 HG1 THR 48 0.098 -3.295 -6.221 350 1HG2 THR 48 1HG2 THR 48 0.730 -0.532 -6.223 351 2HG2 THR 48 2HG2 THR 48 2.005 -1.422 -5.391 352 3HG2 THR 48 3HG2 THR 48 2.394 -0.434 -6.800 353 H ARG 49 H ARG 49 1.364 0.585 -8.198 354 HA ARG 49 HA ARG 49 -0.601 1.180 -10.213 355 1HB ARG 49 1HB ARG 49 -2.362 1.942 -8.644 356 2HB ARG 49 2HB ARG 49 -2.101 0.205 -8.599 357 1HG ARG 49 1HG ARG 49 -1.264 0.240 -6.482 358 2HG ARG 49 2HG ARG 49 -0.624 1.876 -6.643 359 1HD ARG 49 1HD ARG 49 -2.526 2.825 -5.907 360 2HD ARG 49 2HD ARG 49 -3.550 1.701 -6.798 361 HE ARG 49 HE ARG 49 -2.647 1.452 -4.062 362 1HH1 ARG 49 1HH1 ARG 49 -4.000 -0.248 -6.823 363 2HH1 ARG 49 2HH1 ARG 49 -4.678 -1.512 -5.853 364 1HH2 ARG 49 1HH2 ARG 49 -3.543 -0.219 -2.817 365 2HH2 ARG 49 2HH2 ARG 49 -4.420 -1.496 -3.591 366 H VAL 50 H VAL 50 -1.544 3.510 -9.745 367 HA VAL 50 HA VAL 50 0.611 5.232 -8.698 368 HB VAL 50 HB VAL 50 -0.917 5.876 -11.224 369 1HG1 VAL 50 1HG1 VAL 50 0.073 7.756 -9.957 370 2HG1 VAL 50 2HG1 VAL 50 1.658 7.005 -10.143 371 3HG1 VAL 50 3HG1 VAL 50 0.772 7.556 -11.564 372 1HG2 VAL 50 1HG2 VAL 50 1.825 4.636 -10.997 373 2HG2 VAL 50 2HG2 VAL 50 0.383 3.874 -11.667 374 3HG2 VAL 50 3HG2 VAL 50 1.106 5.260 -12.481 375 H GLN 51 H GLN 51 -0.071 7.315 -7.932 376 HA GLN 51 HA GLN 51 -2.940 7.412 -7.291 377 1HB GLN 51 1HB GLN 51 -0.491 8.227 -5.830 378 2HB GLN 51 2HB GLN 51 -1.921 9.225 -5.602 379 1HG GLN 51 1HG GLN 51 -2.345 6.322 -5.387 380 2HG GLN 51 2HG GLN 51 -1.343 7.049 -4.132 381 1HE2 GLN 51 2HE2 GLN 51 -4.224 5.963 -4.408 382 2HE2 GLN 51 1HE2 GLN 51 -5.166 7.156 -3.587 383 HA PRO 52 HA PRO 52 -2.333 11.902 -8.687 384 1HB PRO 52 1HB PRO 52 0.066 13.012 -9.088 385 2HB PRO 52 2HB PRO 52 -0.599 12.822 -7.461 386 1HG PRO 52 1HG PRO 52 1.425 11.136 -8.887 387 2HG PRO 52 2HG PRO 52 1.437 11.720 -7.212 388 1HD PRO 52 1HD PRO 52 0.648 9.197 -7.934 389 2HD PRO 52 2HD PRO 52 0.061 10.039 -6.486 390 H GLU 53 H GLU 53 -3.084 11.950 -10.711 391 HA GLU 53 HA GLU 53 -1.756 10.563 -12.847 392 1HB GLU 53 1HB GLU 53 -3.653 11.297 -14.218 393 2HB GLU 53 2HB GLU 53 -4.194 10.580 -12.705 394 1HG GLU 53 1HG GLU 53 -5.202 12.454 -12.050 395 2HG GLU 53 2HG GLU 53 -3.829 13.456 -12.510 396 H GLY 54 H GLY 54 0.236 11.993 -12.452 397 1HA GLY 54 1HA GLY 54 0.345 13.914 -14.604 398 2HA GLY 54 2HA GLY 54 0.502 14.638 -13.014 399 HA PRO 55 HA PRO 55 4.818 13.795 -12.800 400 1HB PRO 55 1HB PRO 55 5.217 12.158 -10.607 401 2HB PRO 55 2HB PRO 55 5.019 13.911 -10.542 402 1HG PRO 55 1HG PRO 55 3.011 11.758 -10.049 403 2HG PRO 55 2HG PRO 55 3.248 13.292 -9.192 404 1HD PRO 55 1HD PRO 55 1.270 12.964 -10.978 405 2HD PRO 55 2HD PRO 55 2.126 14.512 -10.807 406 H ALA 56 H ALA 56 3.869 10.624 -11.467 407 HA ALA 56 HA ALA 56 5.207 9.371 -13.780 408 1HB ALA 56 1HB ALA 56 5.318 8.785 -10.865 409 2HB ALA 56 2HB ALA 56 5.506 7.454 -12.006 410 3HB ALA 56 3HB ALA 56 6.613 8.826 -12.061 411 H SER 57 H SER 57 2.592 9.892 -14.154 412 HA SER 57 HA SER 57 1.211 7.331 -13.668 413 1HB SER 57 1HB SER 57 0.095 9.422 -12.817 414 2HB SER 57 2HB SER 57 -0.044 9.958 -14.492 415 HG SER 57 HG SER 57 -1.427 8.305 -14.912 416 H LYS 58 H LYS 58 1.390 9.920 -16.104 417 HA LYS 58 HA LYS 58 0.542 8.261 -18.245 418 1HB LYS 58 1HB LYS 58 0.500 10.840 -18.042 419 2HB LYS 58 2HB LYS 58 2.165 10.763 -18.601 420 1HG LYS 58 1HG LYS 58 1.135 11.015 -20.600 421 2HG LYS 58 2HG LYS 58 1.064 9.256 -20.485 422 1HD LYS 58 1HD LYS 58 -1.209 9.469 -19.502 423 2HD LYS 58 2HD LYS 58 -1.127 11.209 -19.783 424 1HE LYS 58 1HE LYS 58 -0.632 10.570 -22.229 425 2HE LYS 58 2HE LYS 58 -1.248 8.979 -21.785 426 1HZ LYS 58 1HZ LYS 58 -3.302 10.111 -21.018 427 2HZ LYS 58 2HZ LYS 58 -2.707 11.560 -21.659 428 3HZ LYS 58 3HZ LYS 58 -3.031 10.252 -22.682 429 H LEU 59 H LEU 59 3.548 8.377 -16.605 430 HA LEU 59 HA LEU 59 5.105 7.633 -18.948 431 1HB LEU 59 1HB LEU 59 5.871 7.986 -16.049 432 2HB LEU 59 2HB LEU 59 6.996 7.572 -17.330 433 HG LEU 59 HG LEU 59 5.346 10.090 -17.390 434 1HD1 LEU 59 1HD1 LEU 59 6.800 9.957 -15.351 435 2HD1 LEU 59 2HD1 LEU 59 8.189 9.864 -16.434 436 3HD1 LEU 59 3HD1 LEU 59 7.158 11.295 -16.442 437 1HD2 LEU 59 1HD2 LEU 59 6.283 9.314 -19.519 438 2HD2 LEU 59 2HD2 LEU 59 7.027 10.820 -18.985 439 3HD2 LEU 59 3HD2 LEU 59 7.892 9.295 -18.796 440 H LEU 60 H LEU 60 4.731 6.241 -15.667 441 HA LEU 60 HA LEU 60 5.268 3.591 -16.764 442 1HB LEU 60 1HB LEU 60 4.798 4.387 -13.889 443 2HB LEU 60 2HB LEU 60 5.397 2.842 -14.460 444 HG LEU 60 HG LEU 60 7.182 4.771 -15.500 445 1HD1 LEU 60 1HD1 LEU 60 6.613 5.276 -12.584 446 2HD1 LEU 60 2HD1 LEU 60 7.980 5.921 -13.493 447 3HD1 LEU 60 3HD1 LEU 60 6.335 6.403 -13.911 448 1HD2 LEU 60 1HD2 LEU 60 7.580 2.405 -14.624 449 2HD2 LEU 60 2HD2 LEU 60 8.827 3.609 -14.300 450 3HD2 LEU 60 3HD2 LEU 60 7.697 3.145 -13.027 451 H GLN 61 H GLN 61 3.871 1.825 -16.526 452 HA GLN 61 HA GLN 61 1.057 2.528 -15.979 453 1HB GLN 61 1HB GLN 61 0.583 0.479 -17.484 454 2HB GLN 61 2HB GLN 61 1.070 1.980 -18.254 455 1HG GLN 61 1HG GLN 61 3.132 -0.061 -17.564 456 2HG GLN 61 2HG GLN 61 2.123 -0.275 -18.993 457 1HE2 GLN 61 2HE2 GLN 61 4.914 0.055 -19.043 458 2HE2 GLN 61 1HE2 GLN 61 5.266 1.538 -19.856 459 HA PRO 62 HA PRO 62 0.988 -0.364 -12.636 460 1HB PRO 62 1HB PRO 62 -1.533 -1.499 -13.724 461 2HB PRO 62 2HB PRO 62 -1.200 -0.818 -12.130 462 1HG PRO 62 1HG PRO 62 -2.630 0.541 -13.922 463 2HG PRO 62 2HG PRO 62 -1.475 1.366 -12.857 464 1HD PRO 62 1HD PRO 62 -1.206 0.631 -15.743 465 2HD PRO 62 2HD PRO 62 -0.659 2.092 -14.895 466 H GLY 63 H GLY 63 2.097 -2.172 -12.373 467 1HA GLY 63 1HA GLY 63 2.477 -4.487 -12.587 468 2HA GLY 63 2HA GLY 63 1.584 -4.473 -14.095 469 H ASP 64 H ASP 64 3.951 -1.980 -13.839 470 HA ASP 64 HA ASP 64 5.457 -3.137 -15.984 471 1HB ASP 64 1HB ASP 64 5.360 -0.558 -14.542 472 2HB ASP 64 2HB ASP 64 6.933 -0.983 -15.210 473 H LYS 65 H LYS 65 8.032 -2.614 -15.608 474 HA LYS 65 HA LYS 65 8.897 -3.821 -13.092 475 1HB LYS 65 1HB LYS 65 8.580 -5.577 -14.965 476 2HB LYS 65 2HB LYS 65 10.004 -4.848 -15.697 477 1HG LYS 65 1HG LYS 65 11.241 -5.292 -13.585 478 2HG LYS 65 2HG LYS 65 9.824 -6.161 -12.995 479 1HD LYS 65 1HD LYS 65 10.008 -7.600 -15.070 480 2HD LYS 65 2HD LYS 65 11.584 -6.853 -15.336 481 1HE LYS 65 1HE LYS 65 10.757 -8.383 -12.870 482 2HE LYS 65 2HE LYS 65 11.769 -9.006 -14.172 483 1HZ LYS 65 1HZ LYS 65 13.363 -7.206 -13.669 484 2HZ LYS 65 2HZ LYS 65 12.418 -6.766 -12.337 485 3HZ LYS 65 3HZ LYS 65 13.157 -8.286 -12.382 486 H ILE 66 H ILE 66 10.556 -2.730 -12.283 487 HA ILE 66 HA ILE 66 11.938 -0.792 -13.961 488 HB ILE 66 HB ILE 66 12.114 -1.238 -10.970 489 1HG1 ILE 66 1HG1 ILE 66 10.554 0.810 -12.562 490 2HG1 ILE 66 2HG1 ILE 66 9.861 -0.585 -11.744 491 1HG2 ILE 66 1HG2 ILE 66 14.090 -0.109 -11.926 492 2HG2 ILE 66 2HG2 ILE 66 13.030 1.121 -12.616 493 3HG2 ILE 66 3HG2 ILE 66 13.156 0.948 -10.866 494 1HD1 ILE 66 1HD1 ILE 66 11.435 1.452 -10.227 495 2HD1 ILE 66 2HD1 ILE 66 9.733 1.711 -10.611 496 3HD1 ILE 66 3HD1 ILE 66 10.217 0.319 -9.642 497 H ILE 67 H ILE 67 13.685 -1.423 -15.011 498 HA ILE 67 HA ILE 67 15.241 -3.694 -14.074 499 HB ILE 67 HB ILE 67 15.703 -2.098 -16.592 500 1HG1 ILE 67 1HG1 ILE 67 13.393 -2.891 -16.617 501 2HG1 ILE 67 2HG1 ILE 67 14.359 -3.823 -17.756 502 1HG2 ILE 67 1HG2 ILE 67 17.521 -3.588 -15.843 503 2HG2 ILE 67 2HG2 ILE 67 16.400 -4.947 -15.898 504 3HG2 ILE 67 3HG2 ILE 67 16.819 -4.090 -17.381 505 1HD1 ILE 67 1HD1 ILE 67 14.541 -5.612 -16.056 506 2HD1 ILE 67 2HD1 ILE 67 13.449 -4.689 -15.025 507 3HD1 ILE 67 3HD1 ILE 67 12.887 -5.296 -16.582 508 H GLN 68 H GLN 68 15.672 -0.221 -14.603 509 HA GLN 68 HA GLN 68 18.056 -0.306 -12.935 510 1HB GLN 68 1HB GLN 68 18.114 0.081 -15.839 511 2HB GLN 68 2HB GLN 68 18.919 1.378 -14.965 512 1HG GLN 68 1HG GLN 68 19.765 -1.039 -13.787 513 2HG GLN 68 2HG GLN 68 19.838 -1.270 -15.531 514 1HE2 GLN 68 2HE2 GLN 68 20.467 1.337 -16.302 515 2HE2 GLN 68 1HE2 GLN 68 22.066 1.703 -15.759 516 H ALA 69 H ALA 69 18.525 1.623 -11.914 517 HA ALA 69 HA ALA 69 16.785 3.925 -12.457 518 1HB ALA 69 1HB ALA 69 15.826 2.544 -10.605 519 2HB ALA 69 2HB ALA 69 17.282 2.890 -9.671 520 3HB ALA 69 3HB ALA 69 16.211 4.205 -10.156 521 H ASN 70 H ASN 70 18.005 5.675 -12.752 522 HA ASN 70 HA ASN 70 19.833 7.058 -12.821 523 1HB ASN 70 1HB ASN 70 19.658 6.402 -9.880 524 2HB ASN 70 2HB ASN 70 20.641 7.708 -10.537 525 1HD2 ASN 70 2HD2 ASN 70 19.609 9.449 -9.772 526 2HD2 ASN 70 1HD2 ASN 70 17.959 9.839 -10.101 527 H GLY 71 H GLY 71 20.522 4.227 -13.279 528 1HA GLY 71 1HA GLY 71 22.695 3.491 -13.945 529 2HA GLY 71 2HA GLY 71 23.384 4.448 -12.648 530 H TYR 72 H TYR 72 21.025 3.145 -10.959 531 HA TYR 72 HA TYR 72 22.676 0.938 -10.052 532 1HB TYR 72 1HB TYR 72 20.741 2.735 -8.874 533 2HB TYR 72 2HB TYR 72 20.288 1.071 -8.525 534 HD1 TYR 72 HD1 TYR 72 22.033 -0.439 -7.445 535 HD2 TYR 72 HD2 TYR 72 22.454 3.789 -7.673 536 HE1 TYR 72 HE1 TYR 72 23.680 -0.510 -5.621 537 HE2 TYR 72 HE2 TYR 72 24.102 3.729 -5.848 538 HH TYR 72 HH TYR 72 24.454 1.502 -3.761 539 H SER 73 H SER 73 21.834 -1.206 -9.765 540 HA SER 73 HA SER 73 19.844 -1.903 -11.807 541 1HB SER 73 1HB SER 73 22.076 -3.429 -10.493 542 2HB SER 73 2HB SER 73 20.777 -4.273 -11.333 543 HG SER 73 HG SER 73 21.524 -3.589 -13.198 544 H PHE 74 H PHE 74 17.871 -2.512 -11.221 545 HA PHE 74 HA PHE 74 17.369 -3.101 -8.393 546 1HB PHE 74 1HB PHE 74 15.712 -2.007 -10.628 547 2HB PHE 74 2HB PHE 74 14.909 -2.814 -9.287 548 HD1 PHE 74 HD1 PHE 74 17.906 -0.596 -9.266 549 HD2 PHE 74 HD2 PHE 74 13.840 -1.132 -8.122 550 HE1 PHE 74 HE1 PHE 74 18.004 1.482 -7.954 551 HE2 PHE 74 HE2 PHE 74 13.933 0.947 -6.810 552 HZ PHE 74 HZ PHE 74 16.016 2.256 -6.724 553 H ILE 75 H ILE 75 18.298 -5.061 -10.651 554 HA ILE 75 HA ILE 75 16.059 -6.927 -10.610 555 HB ILE 75 HB ILE 75 17.266 -6.607 -12.738 556 1HG1 ILE 75 1HG1 ILE 75 17.756 -9.073 -13.161 557 2HG1 ILE 75 2HG1 ILE 75 17.397 -9.336 -11.457 558 1HG2 ILE 75 1HG2 ILE 75 19.506 -6.194 -11.782 559 2HG2 ILE 75 2HG2 ILE 75 19.624 -7.907 -11.382 560 3HG2 ILE 75 3HG2 ILE 75 19.519 -7.401 -13.067 561 1HD1 ILE 75 1HD1 ILE 75 15.408 -7.884 -13.118 562 2HD1 ILE 75 2HD1 ILE 75 15.561 -9.631 -13.302 563 3HD1 ILE 75 3HD1 ILE 75 15.167 -8.941 -11.727 564 H ASN 76 H ASN 76 15.870 -8.419 -9.096 565 HA ASN 76 HA ASN 76 16.326 -9.874 -7.413 566 1HB ASN 76 1HB ASN 76 19.036 -9.934 -8.757 567 2HB ASN 76 2HB ASN 76 18.567 -11.010 -7.445 568 1HD2 ASN 76 2HD2 ASN 76 19.206 -11.319 -10.410 569 2HD2 ASN 76 1HD2 ASN 76 17.920 -12.310 -11.001 570 H ILE 77 H ILE 77 16.015 -7.992 -6.020 571 HA ILE 77 HA ILE 77 18.317 -7.628 -4.285 572 HB ILE 77 HB ILE 77 17.994 -5.164 -4.164 573 1HG1 ILE 77 1HG1 ILE 77 16.498 -5.412 -6.770 574 2HG1 ILE 77 2HG1 ILE 77 15.664 -5.303 -5.223 575 1HG2 ILE 77 1HG2 ILE 77 19.788 -6.231 -5.505 576 2HG2 ILE 77 2HG2 ILE 77 18.742 -6.123 -6.921 577 3HG2 ILE 77 3HG2 ILE 77 19.295 -4.654 -6.118 578 1HD1 ILE 77 1HD1 ILE 77 17.635 -3.256 -6.194 579 2HD1 ILE 77 2HD1 ILE 77 15.894 -3.152 -6.459 580 3HD1 ILE 77 3HD1 ILE 77 16.539 -3.135 -4.818 581 H GLU 78 H GLU 78 17.711 -6.590 -2.217 582 HA GLU 78 HA GLU 78 15.156 -7.597 -1.339 583 1HB GLU 78 1HB GLU 78 17.287 -6.107 0.204 584 2HB GLU 78 2HB GLU 78 15.906 -6.944 0.902 585 1HG GLU 78 1HG GLU 78 17.024 -8.925 -0.574 586 2HG GLU 78 2HG GLU 78 18.450 -8.002 -0.099 587 H HIS 79 H HIS 79 13.409 -6.475 -0.644 588 HA HIS 79 HA HIS 79 12.531 -4.199 -1.801 589 1HB HIS 79 1HB HIS 79 11.329 -5.828 -0.180 590 2HB HIS 79 2HB HIS 79 11.787 -4.668 1.063 591 HD1 HIS 79 HD1 HIS 79 9.391 -5.219 -1.693 592 HD2 HIS 79 HD2 HIS 79 10.563 -2.100 0.791 593 HE1 HIS 79 HE1 HIS 79 7.617 -3.454 -1.946 594 HE2 HIS 79 HE2 HIS 79 8.401 -1.537 -0.512 595 H GLY 80 H GLY 80 14.124 -4.211 1.402 596 1HA GLY 80 1HA GLY 80 13.944 -1.475 1.929 597 2HA GLY 80 2HA GLY 80 15.183 -2.540 2.570 598 H GLN 81 H GLN 81 16.267 -3.223 -0.042 599 HA GLN 81 HA GLN 81 18.134 -1.096 -0.292 600 1HB GLN 81 1HB GLN 81 18.478 -3.601 -0.757 601 2HB GLN 81 2HB GLN 81 17.742 -3.283 -2.322 602 1HG GLN 81 1HG GLN 81 19.991 -3.113 -2.779 603 2HG GLN 81 2HG GLN 81 19.525 -1.431 -2.526 604 1HE2 GLN 81 2HE2 GLN 81 21.262 -0.498 -1.685 605 2HE2 GLN 81 1HE2 GLN 81 22.125 -1.051 -0.293 606 H ALA 82 H ALA 82 15.464 -2.233 -2.336 607 HA ALA 82 HA ALA 82 15.869 -0.411 -4.449 608 1HB ALA 82 1HB ALA 82 14.505 -2.478 -4.587 609 2HB ALA 82 2HB ALA 82 13.265 -1.677 -3.621 610 3HB ALA 82 3HB ALA 82 13.685 -1.046 -5.213 611 H VAL 83 H VAL 83 13.268 -0.350 -1.998 612 HA VAL 83 HA VAL 83 12.226 2.146 -2.537 613 HB VAL 83 HB VAL 83 12.457 0.966 0.239 614 1HG1 VAL 83 1HG1 VAL 83 11.627 3.333 0.021 615 2HG1 VAL 83 2HG1 VAL 83 10.265 2.693 -0.897 616 3HG1 VAL 83 3HG1 VAL 83 10.504 2.207 0.782 617 1HG2 VAL 83 1HG2 VAL 83 10.622 0.315 -2.044 618 2HG2 VAL 83 2HG2 VAL 83 11.549 -0.780 -1.019 619 3HG2 VAL 83 3HG2 VAL 83 10.136 0.053 -0.369 620 H SER 84 H SER 84 14.952 1.392 -0.389 621 HA SER 84 HA SER 84 15.313 3.981 0.642 622 1HB SER 84 1HB SER 84 17.197 1.650 0.293 623 2HB SER 84 2HB SER 84 17.698 3.157 1.058 624 HG SER 84 HG SER 84 16.185 2.828 2.659 625 H LEU 85 H LEU 85 16.600 2.409 -2.250 626 HA LEU 85 HA LEU 85 18.446 4.415 -2.963 627 1HB LEU 85 1HB LEU 85 17.072 2.208 -4.442 628 2HB LEU 85 2HB LEU 85 18.002 3.396 -5.335 629 HG LEU 85 HG LEU 85 19.057 1.586 -3.162 630 1HD1 LEU 85 1HD1 LEU 85 18.595 0.449 -5.284 631 2HD1 LEU 85 2HD1 LEU 85 19.587 1.635 -6.130 632 3HD1 LEU 85 3HD1 LEU 85 20.326 0.546 -4.957 633 1HD2 LEU 85 1HD2 LEU 85 20.343 3.796 -4.745 634 2HD2 LEU 85 2HD2 LEU 85 20.282 3.595 -2.994 635 3HD2 LEU 85 3HD2 LEU 85 21.275 2.513 -3.972 636 H LEU 86 H LEU 86 15.114 3.839 -4.081 637 HA LEU 86 HA LEU 86 15.018 6.028 -5.846 638 1HB LEU 86 1HB LEU 86 12.890 4.414 -4.470 639 2HB LEU 86 2HB LEU 86 12.489 5.744 -5.543 640 HG LEU 86 HG LEU 86 14.074 3.296 -6.325 641 1HD1 LEU 86 1HD1 LEU 86 11.665 2.892 -5.852 642 2HD1 LEU 86 2HD1 LEU 86 11.271 4.071 -7.103 643 3HD1 LEU 86 3HD1 LEU 86 12.131 2.591 -7.527 644 1HD2 LEU 86 1HD2 LEU 86 13.119 5.682 -7.897 645 2HD2 LEU 86 2HD2 LEU 86 14.783 5.159 -7.643 646 3HD2 LEU 86 3HD2 LEU 86 13.695 4.185 -8.631 647 H LYS 87 H LYS 87 14.341 5.779 -2.411 648 HA LYS 87 HA LYS 87 13.052 8.325 -2.238 649 1HB LYS 87 1HB LYS 87 14.116 6.385 -0.203 650 2HB LYS 87 2HB LYS 87 13.477 7.956 0.269 651 1HG LYS 87 1HG LYS 87 11.341 7.389 -0.808 652 2HG LYS 87 2HG LYS 87 11.987 5.796 -1.211 653 1HD LYS 87 1HD LYS 87 12.249 5.276 1.144 654 2HD LYS 87 2HD LYS 87 11.703 6.895 1.585 655 1HE LYS 87 1HE LYS 87 9.991 5.043 -0.043 656 2HE LYS 87 2HE LYS 87 10.009 4.974 1.719 657 1HZ LYS 87 1HZ LYS 87 9.362 7.315 1.762 658 2HZ LYS 87 2HZ LYS 87 9.305 7.345 0.073 659 3HZ LYS 87 3HZ LYS 87 8.221 6.376 0.938 660 H THR 88 H THR 88 16.373 7.186 -1.698 661 HA THR 88 HA THR 88 17.258 9.635 -0.550 662 HB THR 88 HB THR 88 18.362 7.485 -0.109 663 HG1 THR 88 HG1 THR 88 20.239 8.438 0.096 664 1HG2 THR 88 1HG2 THR 88 20.133 7.110 -2.167 665 2HG2 THR 88 2HG2 THR 88 18.732 6.100 -1.806 666 3HG2 THR 88 3HG2 THR 88 18.605 7.393 -3.001 667 H PHE 89 H PHE 89 16.961 8.512 -3.860 668 HA PHE 89 HA PHE 89 18.866 10.070 -5.123 669 1HB PHE 89 1HB PHE 89 16.146 9.171 -6.062 670 2HB PHE 89 2HB PHE 89 17.265 10.025 -7.112 671 HD1 PHE 89 HD1 PHE 89 19.844 8.674 -6.140 672 HD2 PHE 89 HD2 PHE 89 16.010 7.135 -7.184 673 HE1 PHE 89 HE1 PHE 89 20.871 6.522 -6.737 674 HE2 PHE 89 HE2 PHE 89 17.038 4.982 -7.782 675 HZ PHE 89 HZ PHE 89 19.469 4.674 -7.559 676 H GLN 90 H GLN 90 18.737 12.035 -6.320 677 HA GLN 90 HA GLN 90 17.748 14.185 -4.807 678 1HB GLN 90 1HB GLN 90 18.636 15.587 -6.591 679 2HB GLN 90 2HB GLN 90 19.755 14.281 -6.229 680 1HG GLN 90 1HG GLN 90 17.848 13.647 -8.347 681 2HG GLN 90 2HG GLN 90 18.906 15.005 -8.718 682 1HE2 GLN 90 2HE2 GLN 90 18.595 11.679 -8.708 683 2HE2 GLN 90 1HE2 GLN 90 20.250 11.257 -8.964 684 H ASN 91 H ASN 91 16.791 15.668 -7.498 685 HA ASN 91 HA ASN 91 14.008 15.237 -6.924 686 1HB ASN 91 1HB ASN 91 15.478 17.090 -8.793 687 2HB ASN 91 2HB ASN 91 13.720 17.020 -8.716 688 1HD2 ASN 91 2HD2 ASN 91 13.836 19.249 -8.100 689 2HD2 ASN 91 1HD2 ASN 91 14.167 19.676 -6.459 690 H THR 92 H THR 92 15.758 15.320 -10.057 691 HA THR 92 HA THR 92 13.666 13.816 -11.320 692 HB THR 92 HB THR 92 15.877 13.832 -13.063 693 HG1 THR 92 HG1 THR 92 16.907 15.671 -12.789 694 1HG2 THR 92 1HG2 THR 92 14.071 16.169 -13.105 695 2HG2 THR 92 2HG2 THR 92 14.577 15.094 -14.408 696 3HG2 THR 92 3HG2 THR 92 13.340 14.573 -13.265 697 H VAL 93 H VAL 93 13.460 11.706 -11.418 698 HA VAL 93 HA VAL 93 15.809 10.010 -10.850 699 HB VAL 93 HB VAL 93 12.921 9.225 -10.444 700 1HG1 VAL 93 1HG1 VAL 93 14.575 7.410 -10.768 701 2HG1 VAL 93 2HG1 VAL 93 15.458 8.009 -9.363 702 3HG1 VAL 93 3HG1 VAL 93 13.819 7.388 -9.174 703 1HG2 VAL 93 1HG2 VAL 93 13.515 11.113 -8.967 704 2HG2 VAL 93 2HG2 VAL 93 13.219 9.621 -8.073 705 3HG2 VAL 93 3HG2 VAL 93 14.872 10.173 -8.345 706 H GLU 94 H GLU 94 16.561 9.137 -12.669 707 HA GLU 94 HA GLU 94 14.775 8.640 -14.915 708 1HB GLU 94 1HB GLU 94 17.771 8.292 -14.672 709 2HB GLU 94 2HB GLU 94 16.841 8.127 -16.157 710 1HG GLU 94 1HG GLU 94 16.318 10.426 -16.202 711 2HG GLU 94 2HG GLU 94 16.878 10.660 -14.547 712 H LEU 95 H LEU 95 13.688 6.784 -14.940 713 HA LEU 95 HA LEU 95 15.001 4.362 -13.882 714 1HB LEU 95 1HB LEU 95 12.047 4.930 -14.130 715 2HB LEU 95 2HB LEU 95 12.768 3.488 -13.438 716 HG LEU 95 HG LEU 95 13.915 5.278 -11.834 717 1HD1 LEU 95 1HD1 LEU 95 12.677 7.092 -13.194 718 2HD1 LEU 95 2HD1 LEU 95 11.262 6.589 -12.271 719 3HD1 LEU 95 3HD1 LEU 95 12.688 7.204 -11.434 720 1HD2 LEU 95 1HD2 LEU 95 12.514 3.395 -11.134 721 2HD2 LEU 95 2HD2 LEU 95 12.134 4.859 -10.227 722 3HD2 LEU 95 3HD2 LEU 95 11.068 4.327 -11.527 723 H ILE 96 H ILE 96 14.622 2.370 -14.922 724 HA ILE 96 HA ILE 96 13.990 2.615 -17.792 725 HB ILE 96 HB ILE 96 15.543 0.361 -16.522 726 1HG1 ILE 96 1HG1 ILE 96 16.732 2.507 -16.147 727 2HG1 ILE 96 2HG1 ILE 96 17.604 1.434 -17.236 728 1HG2 ILE 96 1HG2 ILE 96 14.536 -0.123 -18.681 729 2HG2 ILE 96 2HG2 ILE 96 15.314 1.299 -19.377 730 3HG2 ILE 96 3HG2 ILE 96 16.293 -0.053 -18.811 731 1HD1 ILE 96 1HD1 ILE 96 15.832 3.243 -18.648 732 2HD1 ILE 96 2HD1 ILE 96 17.036 4.083 -17.669 733 3HD1 ILE 96 3HD1 ILE 96 17.548 2.915 -18.886 734 H ILE 97 H ILE 97 12.131 1.685 -18.434 735 HA ILE 97 HA ILE 97 11.016 -0.484 -16.756 736 HB ILE 97 HB ILE 97 8.770 0.217 -17.470 737 1HG1 ILE 97 1HG1 ILE 97 9.998 2.743 -18.559 738 2HG1 ILE 97 2HG1 ILE 97 9.672 1.358 -19.599 739 1HG2 ILE 97 1HG2 ILE 97 10.526 2.201 -16.067 740 2HG2 ILE 97 2HG2 ILE 97 8.789 2.454 -16.236 741 3HG2 ILE 97 3HG2 ILE 97 9.394 1.040 -15.374 742 1HD1 ILE 97 1HD1 ILE 97 7.290 1.470 -18.830 743 2HD1 ILE 97 2HD1 ILE 97 7.692 2.996 -18.045 744 3HD1 ILE 97 3HD1 ILE 97 7.837 2.840 -19.794 745 H VAL 98 H VAL 98 9.718 -2.097 -17.874 746 HA VAL 98 HA VAL 98 10.192 -2.299 -20.753 747 HB VAL 98 HB VAL 98 10.861 -4.579 -18.890 748 1HG1 VAL 98 1HG1 VAL 98 11.249 -4.203 -21.857 749 2HG1 VAL 98 2HG1 VAL 98 11.905 -5.545 -20.920 750 3HG1 VAL 98 3HG1 VAL 98 10.159 -5.341 -21.065 751 1HG2 VAL 98 1HG2 VAL 98 12.712 -2.661 -20.301 752 2HG2 VAL 98 2HG2 VAL 98 12.495 -2.830 -18.560 753 3HG2 VAL 98 3HG2 VAL 98 13.220 -4.142 -19.488 754 H ARG 99 H ARG 99 8.738 -3.576 -21.876 755 HA ARG 99 HA ARG 99 6.384 -4.480 -20.341 756 1HB ARG 99 1HB ARG 99 6.207 -3.998 -23.290 757 2HB ARG 99 2HB ARG 99 4.961 -3.854 -22.065 758 1HG ARG 99 1HG ARG 99 7.211 -1.890 -22.068 759 2HG ARG 99 2HG ARG 99 5.930 -1.743 -23.267 760 1HD ARG 99 1HD ARG 99 5.189 -2.100 -20.404 761 2HD ARG 99 2HD ARG 99 5.763 -0.524 -20.946 762 HE ARG 99 HE ARG 99 3.199 -1.608 -21.384 763 1HH1 ARG 99 1HH1 ARG 99 5.665 0.238 -23.073 764 2HH1 ARG 99 2HH1 ARG 99 4.526 1.018 -24.119 765 1HH2 ARG 99 1HH2 ARG 99 1.726 -0.569 -22.768 766 2HH2 ARG 99 2HH2 ARG 99 2.302 0.562 -23.945 767 H GLU 100 H GLU 100 6.464 -6.656 -20.105 768 HA GLU 100 HA GLU 100 8.009 -8.342 -21.767 769 1HB GLU 100 1HB GLU 100 5.777 -9.084 -19.863 770 2HB GLU 100 2HB GLU 100 7.001 -10.174 -20.502 771 1HG GLU 100 1HG GLU 100 8.738 -8.878 -19.362 772 2HG GLU 100 2HG GLU 100 7.498 -7.813 -18.702 773 H VAL 101 H VAL 101 7.549 -9.359 -23.598 774 HA VAL 101 HA VAL 101 4.782 -9.866 -24.365 775 HB VAL 101 HB VAL 101 5.195 -8.977 -26.668 776 1HG1 VAL 101 1HG1 VAL 101 3.900 -7.743 -24.953 777 2HG1 VAL 101 2HG1 VAL 101 5.376 -6.885 -24.506 778 3HG1 VAL 101 3HG1 VAL 101 4.696 -6.690 -26.122 779 1HG2 VAL 101 1HG2 VAL 101 7.605 -7.733 -25.351 780 2HG2 VAL 101 2HG2 VAL 101 7.611 -8.921 -26.653 781 3HG2 VAL 101 3HG2 VAL 101 6.984 -7.299 -26.943 782 H SER 102 H SER 102 4.667 -11.250 -26.348 783 HA SER 102 HA SER 102 7.096 -12.821 -26.811 784 1HB SER 102 1HB SER 102 5.803 -14.931 -26.596 785 2HB SER 102 2HB SER 102 5.870 -14.032 -25.080 786 HG SER 102 HG SER 102 3.753 -14.869 -25.705 787 H SER 103 H SER 103 6.368 -11.020 -28.596 788 HA SER 103 HA SER 103 4.517 -12.061 -30.545 789 1HB SER 103 1HB SER 103 6.474 -9.770 -30.827 790 2HB SER 103 2HB SER 103 5.076 -10.096 -31.852 791 HG SER 103 HG SER 103 3.746 -9.439 -30.279 792 1H THR 301 1H THR 301 -0.828 0.077 2.714 793 2H THR 301 2H THR 301 -1.861 -0.004 1.346 794 3H THR 301 3H THR 301 -0.276 -0.659 1.267 795 HA THR 301 HA THR 301 -2.468 -1.608 2.986 796 HB THR 301 HB THR 301 -1.196 -2.988 0.625 797 HG1 THR 301 HG1 THR 301 -2.722 -2.152 -0.664 798 1HG2 THR 301 1HG2 THR 301 -3.978 -3.415 1.602 799 2HG2 THR 301 2HG2 THR 301 -2.922 -4.503 0.701 800 3HG2 THR 301 3HG2 THR 301 -2.625 -4.204 2.414 801 H GLY 302 H GLY 302 0.692 -2.495 1.563 802 1HA GLY 302 1HA GLY 302 2.041 -2.927 3.952 803 2HA GLY 302 2HA GLY 302 1.269 -4.450 3.541 804 H TRP 303 H TRP 303 1.622 -5.042 1.107 805 HA TRP 303 HA TRP 303 4.464 -5.265 0.761 806 1HB TRP 303 1HB TRP 303 3.792 -6.499 -1.365 807 2HB TRP 303 2HB TRP 303 3.254 -7.198 0.155 808 HD1 TRP 303 HD1 TRP 303 0.620 -7.181 0.653 809 HE1 TRP 303 HE1 TRP 303 -1.416 -6.892 -0.895 810 HE3 TRP 303 HE3 TRP 303 2.985 -5.265 -3.456 811 HZ2 TRP 303 HZ2 TRP 303 -1.947 -5.983 -3.511 812 HZ3 TRP 303 HZ3 TRP 303 1.640 -4.719 -5.443 813 HH2 TRP 303 HH2 TRP 303 -0.776 -5.073 -5.469 814 H GLU 304 H GLU 304 1.936 -3.263 -0.594 815 HA GLU 304 HA GLU 304 3.717 -2.275 -2.682 816 1HB GLU 304 1HB GLU 304 1.717 -0.791 -3.233 817 2HB GLU 304 2HB GLU 304 1.504 -2.520 -3.468 818 1HG GLU 304 1HG GLU 304 0.199 -2.716 -1.499 819 2HG GLU 304 2HG GLU 304 0.609 -1.079 -0.989 820 H THR 305 H THR 305 5.241 -0.935 -1.950 821 HA THR 305 HA THR 305 4.577 1.006 0.138 822 HB THR 305 HB THR 305 7.295 0.460 -1.055 823 HG1 THR 305 HG1 THR 305 6.418 -1.462 -0.179 824 1HG2 THR 305 1HG2 THR 305 7.954 1.104 1.336 825 2HG2 THR 305 2HG2 THR 305 7.490 2.386 0.218 826 3HG2 THR 305 3HG2 THR 305 6.345 1.817 1.432 827 H TRP 306 H TRP 306 4.373 3.124 -0.236 828 HA TRP 306 HA TRP 306 4.600 4.072 -2.977 829 1HB TRP 306 1HB TRP 306 3.446 5.277 -0.461 830 2HB TRP 306 2HB TRP 306 3.583 6.179 -1.967 831 HD1 TRP 306 HD1 TRP 306 1.568 3.412 -0.306 832 HE1 TRP 306 HE1 TRP 306 -0.479 2.874 -1.773 833 HE3 TRP 306 HE3 TRP 306 2.772 6.185 -4.428 834 HZ2 TRP 306 HZ2 TRP 306 -1.451 3.537 -4.339 835 HZ3 TRP 306 HZ3 TRP 306 1.231 6.180 -6.345 836 HH2 TRP 306 HH2 TRP 306 -0.838 4.883 -6.301 837 H VAL 307 H VAL 307 6.606 4.643 -3.573 838 HA VAL 307 HA VAL 307 8.498 5.752 -1.709 839 HB VAL 307 HB VAL 307 9.964 5.990 -3.725 840 1HG1 VAL 307 1HG1 VAL 307 8.721 3.311 -3.141 841 2HG1 VAL 307 2HG1 VAL 307 10.180 3.525 -4.108 842 3HG1 VAL 307 3HG1 VAL 307 10.165 4.012 -2.412 843 1HG2 VAL 307 1HG2 VAL 307 8.003 6.252 -5.305 844 2HG2 VAL 307 2HG2 VAL 307 9.298 5.183 -5.844 845 3HG2 VAL 307 3HG2 VAL 307 7.804 4.502 -5.199 Start of MODEL 15 1 1H GLY 1 1H GLY 1 27.491 -11.181 -34.112 2 2H GLY 1 2H GLY 1 27.930 -9.748 -34.895 3 3H GLY 1 3H GLY 1 26.296 -10.129 -34.686 4 1HA GLY 1 1HA GLY 1 26.707 -10.065 -32.219 5 2HA GLY 1 2HA GLY 1 28.260 -9.345 -32.613 6 H SER 2 H SER 2 27.313 -7.828 -34.870 7 HA SER 2 HA SER 2 26.133 -5.617 -33.399 8 1HB SER 2 1HB SER 2 28.107 -5.300 -34.915 9 2HB SER 2 2HB SER 2 27.056 -5.681 -36.280 10 HG SER 2 HG SER 2 27.425 -3.346 -35.428 11 H HIS 3 H HIS 3 25.323 -7.825 -36.002 12 HA HIS 3 HA HIS 3 22.985 -6.476 -36.870 13 1HB HIS 3 1HB HIS 3 24.462 -8.701 -37.700 14 2HB HIS 3 2HB HIS 3 22.888 -9.362 -37.272 15 HD1 HIS 3 HD1 HIS 3 20.986 -8.942 -38.875 16 HD2 HIS 3 HD2 HIS 3 24.378 -6.718 -39.780 17 HE1 HIS 3 HE1 HIS 3 20.528 -7.898 -41.117 18 HE2 HIS 3 HE2 HIS 3 22.626 -6.622 -41.680 19 H MET 4 H MET 4 20.779 -7.596 -36.735 20 HA MET 4 HA MET 4 20.186 -7.985 -33.913 21 1HB MET 4 1HB MET 4 18.389 -7.644 -36.320 22 2HB MET 4 2HB MET 4 17.809 -7.836 -34.670 23 1HG MET 4 1HG MET 4 18.794 -5.777 -34.001 24 2HG MET 4 2HG MET 4 19.651 -5.623 -35.534 25 1HE MET 4 1HE MET 4 18.789 -5.422 -37.607 26 2HE MET 4 2HE MET 4 17.098 -5.332 -38.098 27 3HE MET 4 3HE MET 4 17.982 -3.857 -37.705 28 H GLY 5 H GLY 5 19.124 -9.584 -36.927 29 1HA GLY 5 1HA GLY 5 19.215 -11.897 -37.371 30 2HA GLY 5 2HA GLY 5 19.547 -12.190 -35.670 31 H HIS 6 H HIS 6 17.837 -12.336 -34.205 32 HA HIS 6 HA HIS 6 15.327 -13.139 -35.398 33 1HB HIS 6 1HB HIS 6 16.465 -13.241 -32.617 34 2HB HIS 6 2HB HIS 6 14.757 -13.555 -32.904 35 HD1 HIS 6 HD1 HIS 6 17.884 -15.257 -32.656 36 HD2 HIS 6 HD2 HIS 6 14.459 -15.737 -34.961 37 HE1 HIS 6 HE1 HIS 6 17.967 -17.625 -33.501 38 HE2 HIS 6 HE2 HIS 6 15.838 -17.919 -34.815 39 H GLU 7 H GLU 7 13.285 -12.443 -34.090 40 HA GLU 7 HA GLU 7 13.132 -9.568 -34.314 41 1HB GLU 7 1HB GLU 7 11.062 -11.665 -33.646 42 2HB GLU 7 2HB GLU 7 10.708 -9.948 -33.775 43 1HG GLU 7 1HG GLU 7 10.110 -10.734 -35.854 44 2HG GLU 7 2HG GLU 7 11.752 -10.151 -36.129 45 H LEU 8 H LEU 8 13.404 -8.185 -32.699 46 HA LEU 8 HA LEU 8 13.851 -9.099 -30.025 47 1HB LEU 8 1HB LEU 8 13.772 -6.391 -31.327 48 2HB LEU 8 2HB LEU 8 13.927 -6.559 -29.586 49 HG LEU 8 HG LEU 8 16.109 -6.244 -30.616 50 1HD1 LEU 8 1HD1 LEU 8 15.826 -7.715 -28.613 51 2HD1 LEU 8 2HD1 LEU 8 15.847 -9.101 -29.703 52 3HD1 LEU 8 3HD1 LEU 8 17.261 -8.055 -29.580 53 1HD2 LEU 8 1HD2 LEU 8 15.492 -7.232 -32.816 54 2HD2 LEU 8 2HD2 LEU 8 17.037 -7.802 -32.184 55 3HD2 LEU 8 3HD2 LEU 8 15.608 -8.832 -32.080 56 H ALA 9 H ALA 9 12.081 -9.882 -29.007 57 HA ALA 9 HA ALA 9 9.582 -8.373 -29.102 58 1HB ALA 9 1HB ALA 9 9.615 -10.857 -29.426 59 2HB ALA 9 2HB ALA 9 10.096 -11.011 -27.736 60 3HB ALA 9 3HB ALA 9 8.537 -10.297 -28.148 61 H LYS 10 H LYS 10 10.811 -6.637 -27.895 62 HA LYS 10 HA LYS 10 10.009 -6.682 -25.160 63 1HB LYS 10 1HB LYS 10 12.548 -7.736 -25.665 64 2HB LYS 10 2HB LYS 10 12.863 -6.100 -25.102 65 1HG LYS 10 1HG LYS 10 12.817 -7.129 -23.095 66 2HG LYS 10 2HG LYS 10 11.084 -6.838 -23.257 67 1HD LYS 10 1HD LYS 10 10.619 -9.039 -23.722 68 2HD LYS 10 2HD LYS 10 12.226 -9.351 -24.381 69 1HE LYS 10 1HE LYS 10 12.221 -10.503 -22.354 70 2HE LYS 10 2HE LYS 10 13.062 -8.999 -21.982 71 1HZ LYS 10 1HZ LYS 10 10.932 -8.128 -21.128 72 2HZ LYS 10 2HZ LYS 10 10.230 -9.648 -21.371 73 3HZ LYS 10 3HZ LYS 10 11.492 -9.467 -20.259 74 H GLN 11 H GLN 11 10.811 -4.585 -24.039 75 HA GLN 11 HA GLN 11 11.279 -2.422 -25.954 76 1HB GLN 11 1HB GLN 11 8.931 -2.569 -24.061 77 2HB GLN 11 2HB GLN 11 9.453 -1.084 -24.843 78 1HG GLN 11 1HG GLN 11 8.896 -1.888 -26.979 79 2HG GLN 11 2HG GLN 11 8.738 -3.545 -26.399 80 1HE2 GLN 11 2HE2 GLN 11 6.953 -4.034 -24.989 81 2HE2 GLN 11 1HE2 GLN 11 5.488 -3.127 -25.113 82 H GLU 12 H GLU 12 12.672 -0.945 -25.187 83 HA GLU 12 HA GLU 12 13.116 -0.829 -22.271 84 1HB GLU 12 1HB GLU 12 15.090 -1.002 -24.521 85 2HB GLU 12 2HB GLU 12 15.532 -0.153 -23.044 86 1HG GLU 12 1HG GLU 12 16.324 -2.336 -22.765 87 2HG GLU 12 2HG GLU 12 14.850 -2.251 -21.801 88 H ILE 13 H ILE 13 12.100 1.031 -21.740 89 HA ILE 13 HA ILE 13 12.960 3.471 -23.160 90 HB ILE 13 HB ILE 13 10.710 4.450 -22.544 91 1HG1 ILE 13 1HG1 ILE 13 10.145 2.558 -20.942 92 2HG1 ILE 13 2HG1 ILE 13 8.864 3.032 -22.045 93 1HG2 ILE 13 1HG2 ILE 13 11.425 3.761 -24.825 94 2HG2 ILE 13 2HG2 ILE 13 10.626 2.212 -24.556 95 3HG2 ILE 13 3HG2 ILE 13 9.682 3.702 -24.564 96 1HD1 ILE 13 1HD1 ILE 13 10.333 0.938 -23.271 97 2HD1 ILE 13 2HD1 ILE 13 9.974 0.463 -21.611 98 3HD1 ILE 13 3HD1 ILE 13 8.666 0.929 -22.697 99 H ARG 14 H ARG 14 12.842 5.435 -21.913 100 HA ARG 14 HA ARG 14 13.406 4.953 -19.064 101 1HB ARG 14 1HB ARG 14 15.028 6.078 -20.928 102 2HB ARG 14 2HB ARG 14 14.244 7.514 -20.285 103 1HG ARG 14 1HG ARG 14 14.904 6.689 -17.989 104 2HG ARG 14 2HG ARG 14 15.910 5.495 -18.812 105 1HD ARG 14 1HD ARG 14 16.106 8.484 -19.161 106 2HD ARG 14 2HD ARG 14 17.178 7.504 -18.161 107 HE ARG 14 HE ARG 14 17.193 7.730 -21.043 108 1HH1 ARG 14 1HH1 ARG 14 18.245 5.814 -18.291 109 2HH1 ARG 14 2HH1 ARG 14 19.545 5.071 -19.162 110 1HH2 ARG 14 1HH2 ARG 14 18.901 6.737 -22.161 111 2HH2 ARG 14 2HH2 ARG 14 19.915 5.592 -21.348 112 H VAL 15 H VAL 15 12.855 6.729 -17.557 113 HA VAL 15 HA VAL 15 10.610 8.401 -18.428 114 HB VAL 15 HB VAL 15 10.476 6.756 -15.897 115 1HG1 VAL 15 1HG1 VAL 15 9.226 8.850 -15.825 116 2HG1 VAL 15 2HG1 VAL 15 8.398 8.416 -17.319 117 3HG1 VAL 15 3HG1 VAL 15 8.136 7.465 -15.857 118 1HG2 VAL 15 1HG2 VAL 15 10.364 5.294 -17.862 119 2HG2 VAL 15 2HG2 VAL 15 8.819 5.368 -17.017 120 3HG2 VAL 15 3HG2 VAL 15 9.050 6.275 -18.512 121 H ARG 16 H ARG 16 10.312 10.291 -17.221 122 HA ARG 16 HA ARG 16 12.500 10.936 -15.347 123 1HB ARG 16 1HB ARG 16 12.271 12.143 -17.661 124 2HB ARG 16 2HB ARG 16 10.982 13.033 -16.861 125 1HG ARG 16 1HG ARG 16 12.703 14.429 -16.403 126 2HG ARG 16 2HG ARG 16 12.861 13.350 -15.017 127 1HD ARG 16 1HD ARG 16 15.011 13.835 -16.175 128 2HD ARG 16 2HD ARG 16 14.611 12.120 -16.092 129 HE ARG 16 HE ARG 16 14.442 12.073 -18.380 130 1HH1 ARG 16 1HH1 ARG 16 14.541 15.430 -17.346 131 2HH1 ARG 16 2HH1 ARG 16 14.716 16.039 -18.958 132 1HH2 ARG 16 1HH2 ARG 16 14.671 12.897 -20.481 133 2HH2 ARG 16 2HH2 ARG 16 14.789 14.608 -20.729 134 H VAL 17 H VAL 17 11.683 10.780 -13.343 135 HA VAL 17 HA VAL 17 9.021 11.943 -12.819 136 HB VAL 17 HB VAL 17 10.479 9.962 -11.063 137 1HG1 VAL 17 1HG1 VAL 17 8.797 11.321 -9.930 138 2HG1 VAL 17 2HG1 VAL 17 7.594 10.845 -11.129 139 3HG1 VAL 17 3HG1 VAL 17 8.282 9.638 -10.043 140 1HG2 VAL 17 1HG2 VAL 17 9.943 9.032 -13.326 141 2HG2 VAL 17 2HG2 VAL 17 9.146 8.207 -11.987 142 3HG2 VAL 17 3HG2 VAL 17 8.241 9.344 -12.986 143 H GLU 18 H GLU 18 8.894 13.699 -11.586 144 HA GLU 18 HA GLU 18 11.311 14.728 -10.325 145 1HB GLU 18 1HB GLU 18 8.591 15.917 -10.864 146 2HB GLU 18 2HB GLU 18 9.805 16.745 -9.899 147 1HG GLU 18 1HG GLU 18 10.007 17.636 -12.048 148 2HG GLU 18 2HG GLU 18 11.347 16.500 -11.891 149 H LYS 19 H LYS 19 11.276 15.536 -8.122 150 HA LYS 19 HA LYS 19 9.541 13.905 -6.390 151 1HB LYS 19 1HB LYS 19 12.244 14.017 -6.390 152 2HB LYS 19 2HB LYS 19 11.891 15.290 -5.230 153 1HG LYS 19 1HG LYS 19 12.135 13.378 -3.928 154 2HG LYS 19 2HG LYS 19 10.387 13.573 -4.079 155 1HD LYS 19 1HD LYS 19 10.789 11.285 -4.450 156 2HD LYS 19 2HD LYS 19 10.533 11.977 -6.052 157 1HE LYS 19 1HE LYS 19 12.403 10.518 -6.209 158 2HE LYS 19 2HE LYS 19 13.024 12.166 -6.265 159 1HZ LYS 19 1HZ LYS 19 12.943 10.516 -3.800 160 2HZ LYS 19 2HZ LYS 19 14.300 10.646 -4.804 161 3HZ LYS 19 3HZ LYS 19 13.707 12.012 -4.003 162 H ASP 20 H ASP 20 7.843 15.533 -6.797 163 HA ASP 20 HA ASP 20 8.035 17.683 -4.821 164 1HB ASP 20 1HB ASP 20 8.437 18.336 -7.378 165 2HB ASP 20 2HB ASP 20 6.676 18.350 -7.384 166 HA PRO 21 HA PRO 21 7.514 17.004 -3.016 167 1HB PRO 21 1HB PRO 21 6.034 15.409 -1.177 168 2HB PRO 21 2HB PRO 21 6.197 17.165 -1.189 169 1HG PRO 21 1HG PRO 21 3.847 15.755 -1.673 170 2HG PRO 21 2HG PRO 21 4.138 17.450 -2.094 171 1HD PRO 21 1HD PRO 21 4.286 15.014 -3.817 172 2HD PRO 21 2HD PRO 21 3.703 16.645 -4.212 173 H GLU 22 H GLU 22 6.003 14.105 -4.269 174 HA GLU 22 HA GLU 22 8.492 12.641 -3.748 175 1HB GLU 22 1HB GLU 22 5.707 11.599 -3.197 176 2HB GLU 22 2HB GLU 22 7.167 10.619 -3.155 177 1HG GLU 22 1HG GLU 22 8.041 12.152 -1.384 178 2HG GLU 22 2HG GLU 22 6.451 12.912 -1.347 179 H LEU 23 H LEU 23 8.096 10.295 -4.902 180 HA LEU 23 HA LEU 23 8.128 10.856 -7.665 181 1HB LEU 23 1HB LEU 23 8.010 8.280 -6.111 182 2HB LEU 23 2HB LEU 23 8.059 8.312 -7.865 183 HG LEU 23 HG LEU 23 10.183 9.914 -7.272 184 1HD1 LEU 23 1HD1 LEU 23 9.943 9.508 -4.867 185 2HD1 LEU 23 2HD1 LEU 23 10.136 7.777 -5.148 186 3HD1 LEU 23 3HD1 LEU 23 11.467 8.881 -5.493 187 1HD2 LEU 23 1HD2 LEU 23 10.161 8.035 -8.853 188 2HD2 LEU 23 2HD2 LEU 23 11.594 8.014 -7.826 189 3HD2 LEU 23 3HD2 LEU 23 10.261 6.906 -7.502 190 H GLY 24 H GLY 24 5.773 8.922 -5.778 191 1HA GLY 24 1HA GLY 24 3.408 9.310 -6.030 192 2HA GLY 24 2HA GLY 24 3.703 9.784 -7.693 193 H PHE 25 H PHE 25 5.084 6.903 -6.181 194 HA PHE 25 HA PHE 25 3.076 5.130 -7.147 195 1HB PHE 25 1HB PHE 25 4.319 4.021 -8.915 196 2HB PHE 25 2HB PHE 25 4.136 5.727 -9.301 197 HD1 PHE 25 HD1 PHE 25 6.504 3.151 -8.151 198 HD2 PHE 25 HD2 PHE 25 6.023 7.138 -9.563 199 HE1 PHE 25 HE1 PHE 25 8.934 3.319 -8.492 200 HE2 PHE 25 HE2 PHE 25 8.454 7.311 -9.909 201 HZ PHE 25 HZ PHE 25 9.911 5.399 -9.374 202 H SER 26 H SER 26 3.333 3.030 -6.406 203 HA SER 26 HA SER 26 5.456 2.709 -4.412 204 1HB SER 26 1HB SER 26 3.861 0.677 -3.814 205 2HB SER 26 2HB SER 26 3.484 2.318 -3.288 206 HG SER 26 HG SER 26 2.514 1.195 -5.702 207 H ILE 27 H ILE 27 6.578 0.724 -4.186 208 HA ILE 27 HA ILE 27 6.702 -0.905 -6.648 209 HB ILE 27 HB ILE 27 9.112 -1.213 -6.218 210 1HG1 ILE 27 1HG1 ILE 27 8.926 1.019 -4.195 211 2HG1 ILE 27 2HG1 ILE 27 8.853 -0.673 -3.710 212 1HG2 ILE 27 1HG2 ILE 27 8.343 0.533 -7.749 213 2HG2 ILE 27 2HG2 ILE 27 8.285 1.682 -6.412 214 3HG2 ILE 27 3HG2 ILE 27 9.831 1.006 -6.928 215 1HD1 ILE 27 1HD1 ILE 27 11.120 0.531 -5.275 216 2HD1 ILE 27 2HD1 ILE 27 11.102 0.357 -3.521 217 3HD1 ILE 27 3HD1 ILE 27 11.049 -1.074 -4.549 218 H SER 28 H SER 28 7.148 -3.157 -6.375 219 HA SER 28 HA SER 28 7.206 -4.191 -3.634 220 1HB SER 28 1HB SER 28 5.354 -5.754 -4.071 221 2HB SER 28 2HB SER 28 4.821 -4.077 -4.191 222 HG SER 28 HG SER 28 4.752 -4.250 -6.381 223 H GLY 29 H GLY 29 7.682 -6.546 -3.550 224 1HA GLY 29 1HA GLY 29 8.264 -8.540 -4.883 225 2HA GLY 29 2HA GLY 29 9.112 -7.465 -5.976 226 H GLY 30 H GLY 30 11.147 -6.671 -5.410 227 1HA GLY 30 1HA GLY 30 13.221 -6.699 -4.389 228 2HA GLY 30 2HA GLY 30 12.405 -7.168 -2.904 229 H VAL 31 H VAL 31 13.534 -8.860 -2.147 230 HA VAL 31 HA VAL 31 13.559 -11.299 -3.710 231 HB VAL 31 HB VAL 31 16.149 -10.269 -2.550 232 1HG1 VAL 31 1HG1 VAL 31 15.889 -12.720 -2.614 233 2HG1 VAL 31 2HG1 VAL 31 15.606 -12.623 -4.353 234 3HG1 VAL 31 3HG1 VAL 31 17.167 -12.146 -3.684 235 1HG2 VAL 31 1HG2 VAL 31 15.230 -10.327 -5.417 236 2HG2 VAL 31 2HG2 VAL 31 15.579 -8.897 -4.446 237 3HG2 VAL 31 3HG2 VAL 31 16.882 -9.997 -4.894 238 H GLY 32 H GLY 32 12.026 -11.809 -2.055 239 1HA GLY 32 1HA GLY 32 11.755 -13.313 -0.245 240 2HA GLY 32 2HA GLY 32 13.319 -12.811 0.375 241 H GLY 33 H GLY 33 11.285 -10.193 -0.588 242 1HA GLY 33 1HA GLY 33 10.916 -9.490 2.223 243 2HA GLY 33 2HA GLY 33 10.738 -8.411 0.846 244 H ARG 34 H ARG 34 8.701 -7.634 1.302 245 HA ARG 34 HA ARG 34 6.540 -9.056 2.274 246 1HB ARG 34 1HB ARG 34 6.550 -6.676 0.413 247 2HB ARG 34 2HB ARG 34 5.138 -7.252 1.291 248 1HG ARG 34 1HG ARG 34 7.630 -6.582 2.790 249 2HG ARG 34 2HG ARG 34 6.571 -5.288 2.234 250 1HD ARG 34 1HD ARG 34 5.193 -5.641 3.946 251 2HD ARG 34 2HD ARG 34 4.983 -7.325 3.474 252 HE ARG 34 HE ARG 34 6.502 -7.949 5.088 253 1HH1 ARG 34 1HH1 ARG 34 6.595 -4.454 4.748 254 2HH1 ARG 34 2HH1 ARG 34 7.551 -4.227 6.174 255 1HH2 ARG 34 1HH2 ARG 34 7.757 -7.625 6.950 256 2HH2 ARG 34 2HH2 ARG 34 8.209 -6.019 7.417 257 H GLY 35 H GLY 35 7.803 -9.055 -0.987 258 1HA GLY 35 1HA GLY 35 7.317 -10.641 -2.637 259 2HA GLY 35 2HA GLY 35 5.948 -11.176 -1.678 260 H ASN 36 H ASN 36 5.875 -10.854 -4.451 261 HA ASN 36 HA ASN 36 4.004 -8.588 -4.723 262 1HB ASN 36 1HB ASN 36 4.623 -8.791 -7.250 263 2HB ASN 36 2HB ASN 36 5.717 -7.939 -6.170 264 1HD2 ASN 36 2HD2 ASN 36 5.161 -11.302 -7.248 265 2HD2 ASN 36 1HD2 ASN 36 6.828 -11.653 -7.528 266 HA PRO 37 HA PRO 37 1.256 -11.905 -5.923 267 1HB PRO 37 1HB PRO 37 -1.023 -10.543 -6.051 268 2HB PRO 37 2HB PRO 37 -0.178 -10.755 -4.515 269 1HG PRO 37 1HG PRO 37 -0.370 -8.354 -6.254 270 2HG PRO 37 2HG PRO 37 -0.234 -8.460 -4.491 271 1HD PRO 37 1HD PRO 37 1.860 -7.974 -6.351 272 2HD PRO 37 2HD PRO 37 2.019 -8.256 -4.606 273 H PHE 38 H PHE 38 2.753 -10.322 -8.083 274 HA PHE 38 HA PHE 38 0.744 -10.420 -10.224 275 1HB PHE 38 1HB PHE 38 3.440 -9.096 -10.003 276 2HB PHE 38 2HB PHE 38 2.642 -9.309 -11.558 277 HD1 PHE 38 HD1 PHE 38 2.402 -7.679 -8.265 278 HD2 PHE 38 HD2 PHE 38 0.823 -7.930 -12.211 279 HE1 PHE 38 HE1 PHE 38 1.121 -5.615 -7.880 280 HE2 PHE 38 HE2 PHE 38 -0.460 -5.863 -11.833 281 HZ PHE 38 HZ PHE 38 -0.311 -4.704 -9.664 282 H ARG 39 H ARG 39 4.070 -11.489 -9.522 283 HA ARG 39 HA ARG 39 3.657 -13.724 -11.406 284 1HB ARG 39 1HB ARG 39 6.171 -12.120 -10.908 285 2HB ARG 39 2HB ARG 39 6.132 -13.620 -11.825 286 1HG ARG 39 1HG ARG 39 4.141 -11.796 -12.822 287 2HG ARG 39 2HG ARG 39 5.717 -11.011 -12.773 288 1HD ARG 39 1HD ARG 39 5.915 -11.967 -14.817 289 2HD ARG 39 2HD ARG 39 6.436 -13.351 -13.858 290 HE ARG 39 HE ARG 39 3.595 -13.237 -14.366 291 1HH1 ARG 39 1HH1 ARG 39 6.687 -14.433 -15.531 292 2HH1 ARG 39 2HH1 ARG 39 5.971 -15.695 -16.476 293 1HH2 ARG 39 1HH2 ARG 39 2.683 -14.898 -15.614 294 2HH2 ARG 39 2HH2 ARG 39 3.709 -15.956 -16.524 295 HA PRO 40 HA PRO 40 4.725 -16.136 -7.809 296 1HB PRO 40 1HB PRO 40 4.752 -18.588 -8.855 297 2HB PRO 40 2HB PRO 40 3.253 -17.658 -8.743 298 1HG PRO 40 1HG PRO 40 5.019 -18.129 -11.107 299 2HG PRO 40 2HG PRO 40 3.249 -18.108 -11.016 300 1HD PRO 40 1HD PRO 40 4.820 -15.994 -11.877 301 2HD PRO 40 2HD PRO 40 3.156 -15.846 -11.282 302 H ASP 41 H ASP 41 6.578 -16.837 -10.771 303 HA ASP 41 HA ASP 41 8.835 -17.745 -9.163 304 1HB ASP 41 1HB ASP 41 7.933 -18.875 -11.319 305 2HB ASP 41 2HB ASP 41 8.829 -17.613 -12.161 306 H ASP 42 H ASP 42 7.833 -14.806 -10.629 307 HA ASP 42 HA ASP 42 10.609 -13.866 -10.856 308 1HB ASP 42 1HB ASP 42 8.867 -13.581 -12.744 309 2HB ASP 42 2HB ASP 42 8.185 -12.313 -11.728 310 H ASP 43 H ASP 43 11.441 -12.726 -9.235 311 HA ASP 43 HA ASP 43 9.612 -11.451 -7.316 312 1HB ASP 43 1HB ASP 43 11.658 -11.416 -5.823 313 2HB ASP 43 2HB ASP 43 11.053 -13.019 -6.238 314 H GLY 44 H GLY 44 10.807 -10.314 -9.993 315 1HA GLY 44 1HA GLY 44 12.612 -8.263 -9.401 316 2HA GLY 44 2HA GLY 44 11.472 -8.241 -10.736 317 H ILE 45 H ILE 45 11.569 -5.888 -10.212 318 HA ILE 45 HA ILE 45 9.838 -5.161 -7.942 319 HB ILE 45 HB ILE 45 11.435 -3.250 -9.650 320 1HG1 ILE 45 1HG1 ILE 45 12.964 -4.871 -8.574 321 2HG1 ILE 45 2HG1 ILE 45 13.157 -3.247 -7.923 322 1HG2 ILE 45 1HG2 ILE 45 9.507 -2.407 -8.290 323 2HG2 ILE 45 2HG2 ILE 45 10.388 -2.909 -6.848 324 3HG2 ILE 45 3HG2 ILE 45 11.064 -1.672 -7.907 325 1HD1 ILE 45 1HD1 ILE 45 11.263 -4.969 -6.483 326 2HD1 ILE 45 2HD1 ILE 45 12.954 -5.464 -6.419 327 3HD1 ILE 45 3HD1 ILE 45 12.485 -3.855 -5.871 328 H PHE 46 H PHE 46 7.762 -4.566 -8.373 329 HA PHE 46 HA PHE 46 7.118 -3.771 -11.145 330 1HB PHE 46 1HB PHE 46 5.436 -5.398 -9.228 331 2HB PHE 46 2HB PHE 46 4.906 -4.841 -10.811 332 HD1 PHE 46 HD1 PHE 46 5.843 -5.813 -12.847 333 HD2 PHE 46 HD2 PHE 46 6.938 -7.251 -8.993 334 HE1 PHE 46 HE1 PHE 46 6.763 -7.854 -13.872 335 HE2 PHE 46 HE2 PHE 46 7.861 -9.291 -10.013 336 HZ PHE 46 HZ PHE 46 7.774 -9.592 -12.455 337 H VAL 47 H VAL 47 5.606 -2.148 -11.453 338 HA VAL 47 HA VAL 47 5.227 -0.361 -9.189 339 HB VAL 47 HB VAL 47 4.469 0.075 -12.088 340 1HG1 VAL 47 1HG1 VAL 47 3.350 1.526 -10.404 341 2HG1 VAL 47 2HG1 VAL 47 4.943 2.100 -9.907 342 3HG1 VAL 47 3HG1 VAL 47 4.365 2.406 -11.546 343 1HG2 VAL 47 1HG2 VAL 47 6.897 -0.379 -11.762 344 2HG2 VAL 47 2HG2 VAL 47 6.547 1.236 -12.380 345 3HG2 VAL 47 3HG2 VAL 47 6.964 1.013 -10.680 346 H THR 48 H THR 48 3.747 -1.961 -8.210 347 HA THR 48 HA THR 48 1.436 -3.026 -8.973 348 HB THR 48 HB THR 48 2.199 -3.262 -6.734 349 HG1 THR 48 HG1 THR 48 -0.295 -1.922 -6.605 350 1HG2 THR 48 1HG2 THR 48 1.224 -0.685 -5.730 351 2HG2 THR 48 2HG2 THR 48 2.622 -1.645 -5.246 352 3HG2 THR 48 3HG2 THR 48 2.710 -0.616 -6.677 353 H ARG 49 H ARG 49 1.459 0.418 -7.861 354 HA ARG 49 HA ARG 49 -0.669 1.016 -9.720 355 1HB ARG 49 1HB ARG 49 -2.182 1.896 -7.886 356 2HB ARG 49 2HB ARG 49 -2.085 0.147 -8.038 357 1HG ARG 49 1HG ARG 49 -0.612 0.009 -6.148 358 2HG ARG 49 2HG ARG 49 -0.512 1.767 -6.048 359 1HD ARG 49 1HD ARG 49 -3.207 0.528 -5.933 360 2HD ARG 49 2HD ARG 49 -2.162 0.340 -4.526 361 HE ARG 49 HE ARG 49 -2.382 3.047 -5.502 362 1HH1 ARG 49 1HH1 ARG 49 -3.738 0.652 -3.316 363 2HH1 ARG 49 2HH1 ARG 49 -4.470 1.839 -2.289 364 1HH2 ARG 49 1HH2 ARG 49 -3.351 4.580 -4.139 365 2HH2 ARG 49 2HH2 ARG 49 -4.251 4.058 -2.755 366 H VAL 50 H VAL 50 -1.441 3.311 -9.483 367 HA VAL 50 HA VAL 50 0.713 5.075 -8.504 368 HB VAL 50 HB VAL 50 -0.907 5.624 -10.995 369 1HG1 VAL 50 1HG1 VAL 50 0.107 7.541 -9.780 370 2HG1 VAL 50 2HG1 VAL 50 1.693 6.820 -10.056 371 3HG1 VAL 50 3HG1 VAL 50 0.710 7.338 -11.425 372 1HG2 VAL 50 1HG2 VAL 50 0.451 3.600 -11.342 373 2HG2 VAL 50 2HG2 VAL 50 1.013 4.953 -12.323 374 3HG2 VAL 50 3HG2 VAL 50 1.891 4.498 -10.863 375 H GLN 51 H GLN 51 0.036 7.129 -7.705 376 HA GLN 51 HA GLN 51 -2.829 7.229 -7.041 377 1HB GLN 51 1HB GLN 51 -0.362 8.053 -5.604 378 2HB GLN 51 2HB GLN 51 -1.814 9.011 -5.332 379 1HG GLN 51 1HG GLN 51 -1.877 6.030 -5.099 380 2HG GLN 51 2HG GLN 51 -1.302 7.032 -3.768 381 1HE2 GLN 51 2HE2 GLN 51 -2.865 6.974 -2.304 382 2HE2 GLN 51 1HE2 GLN 51 -4.531 7.329 -2.595 383 HA PRO 52 HA PRO 52 -2.242 11.715 -8.439 384 1HB PRO 52 1HB PRO 52 0.146 12.848 -8.825 385 2HB PRO 52 2HB PRO 52 -0.513 12.635 -7.196 386 1HG PRO 52 1HG PRO 52 1.510 10.969 -8.648 387 2HG PRO 52 2HG PRO 52 1.539 11.552 -6.973 388 1HD PRO 52 1HD PRO 52 0.753 9.028 -7.678 389 2HD PRO 52 2HD PRO 52 0.163 9.874 -6.234 390 H GLU 53 H GLU 53 -2.979 11.761 -10.469 391 HA GLU 53 HA GLU 53 -1.628 10.385 -12.598 392 1HB GLU 53 1HB GLU 53 -4.084 12.152 -12.639 393 2HB GLU 53 2HB GLU 53 -3.525 11.162 -13.982 394 1HG GLU 53 1HG GLU 53 -3.936 9.151 -12.759 395 2HG GLU 53 2HG GLU 53 -4.293 10.061 -11.292 396 H GLY 54 H GLY 54 0.355 11.826 -12.175 397 1HA GLY 54 1HA GLY 54 0.455 13.778 -14.300 398 2HA GLY 54 2HA GLY 54 0.622 14.475 -12.699 399 HA PRO 55 HA PRO 55 4.944 13.636 -12.448 400 1HB PRO 55 1HB PRO 55 5.291 11.783 -10.406 401 2HB PRO 55 2HB PRO 55 5.137 13.528 -10.190 402 1HG PRO 55 1HG PRO 55 3.059 11.397 -9.931 403 2HG PRO 55 2HG PRO 55 3.332 12.829 -8.920 404 1HD PRO 55 1HD PRO 55 1.367 12.785 -10.723 405 2HD PRO 55 2HD PRO 55 2.324 14.258 -10.457 406 H ALA 56 H ALA 56 3.601 10.394 -11.680 407 HA ALA 56 HA ALA 56 4.999 9.356 -14.044 408 1HB ALA 56 1HB ALA 56 6.197 9.083 -11.717 409 2HB ALA 56 2HB ALA 56 5.071 7.736 -11.546 410 3HB ALA 56 3HB ALA 56 6.201 7.774 -12.899 411 H SER 57 H SER 57 2.490 9.726 -14.425 412 HA SER 57 HA SER 57 1.165 7.129 -13.954 413 1HB SER 57 1HB SER 57 0.044 9.036 -12.804 414 2HB SER 57 2HB SER 57 -0.187 9.805 -14.374 415 HG SER 57 HG SER 57 -1.447 7.576 -13.271 416 H LYS 58 H LYS 58 1.081 9.940 -16.134 417 HA LYS 58 HA LYS 58 0.039 8.533 -18.343 418 1HB LYS 58 1HB LYS 58 0.041 11.040 -17.971 419 2HB LYS 58 2HB LYS 58 1.727 11.030 -18.472 420 1HG LYS 58 1HG LYS 58 0.461 11.627 -20.370 421 2HG LYS 58 2HG LYS 58 0.971 9.957 -20.617 422 1HD LYS 58 1HD LYS 58 -1.213 9.160 -19.920 423 2HD LYS 58 2HD LYS 58 -1.728 10.811 -19.571 424 1HE LYS 58 1HE LYS 58 -2.635 10.236 -21.688 425 2HE LYS 58 2HE LYS 58 -1.298 11.346 -21.987 426 1HZ LYS 58 1HZ LYS 58 0.105 9.442 -22.512 427 2HZ LYS 58 2HZ LYS 58 -1.193 8.389 -22.246 428 3HZ LYS 58 3HZ LYS 58 -1.248 9.494 -23.524 429 H LEU 59 H LEU 59 3.231 8.541 -17.007 430 HA LEU 59 HA LEU 59 4.424 7.735 -19.554 431 1HB LEU 59 1HB LEU 59 5.665 8.310 -16.863 432 2HB LEU 59 2HB LEU 59 6.564 7.829 -18.291 433 HG LEU 59 HG LEU 59 4.844 10.298 -18.258 434 1HD1 LEU 59 1HD1 LEU 59 6.677 10.218 -16.452 435 2HD1 LEU 59 2HD1 LEU 59 7.804 10.338 -17.804 436 3HD1 LEU 59 3HD1 LEU 59 6.617 11.614 -17.530 437 1HD2 LEU 59 1HD2 LEU 59 5.553 9.331 -20.432 438 2HD2 LEU 59 2HD2 LEU 59 6.189 10.950 -20.139 439 3HD2 LEU 59 3HD2 LEU 59 7.232 9.543 -19.934 440 H LEU 60 H LEU 60 4.147 6.560 -16.200 441 HA LEU 60 HA LEU 60 5.066 3.921 -17.016 442 1HB LEU 60 1HB LEU 60 4.259 4.973 -14.305 443 2HB LEU 60 2HB LEU 60 4.948 3.390 -14.613 444 HG LEU 60 HG LEU 60 6.399 5.938 -15.298 445 1HD1 LEU 60 1HD1 LEU 60 5.825 5.799 -12.865 446 2HD1 LEU 60 2HD1 LEU 60 6.754 4.303 -12.796 447 3HD1 LEU 60 3HD1 LEU 60 7.552 5.817 -13.220 448 1HD2 LEU 60 1HD2 LEU 60 7.214 3.054 -14.998 449 2HD2 LEU 60 2HD2 LEU 60 7.270 4.047 -16.454 450 3HD2 LEU 60 3HD2 LEU 60 8.362 4.387 -15.113 451 H GLN 61 H GLN 61 3.891 2.020 -16.765 452 HA GLN 61 HA GLN 61 0.966 2.363 -16.572 453 1HB GLN 61 1HB GLN 61 0.764 0.406 -18.057 454 2HB GLN 61 2HB GLN 61 1.646 1.719 -18.826 455 1HG GLN 61 1HG GLN 61 3.283 0.304 -19.281 456 2HG GLN 61 2HG GLN 61 3.583 0.141 -17.553 457 1HE2 GLN 61 2HE2 GLN 61 4.129 -1.983 -17.536 458 2HE2 GLN 61 1HE2 GLN 61 3.041 -3.263 -17.940 459 HA PRO 62 HA PRO 62 1.094 -0.134 -12.880 460 1HB PRO 62 1HB PRO 62 -1.420 -1.342 -13.924 461 2HB PRO 62 2HB PRO 62 -1.080 -0.638 -12.340 462 1HG PRO 62 1HG PRO 62 -2.521 0.692 -14.143 463 2HG PRO 62 2HG PRO 62 -1.367 1.533 -13.092 464 1HD PRO 62 1HD PRO 62 -1.138 0.822 -15.977 465 2HD PRO 62 2HD PRO 62 -0.518 2.241 -15.110 466 H GLY 63 H GLY 63 2.287 -1.885 -12.553 467 1HA GLY 63 1HA GLY 63 2.677 -4.211 -12.607 468 2HA GLY 63 2HA GLY 63 1.743 -4.313 -14.088 469 H ASP 64 H ASP 64 4.138 -1.810 -13.991 470 HA ASP 64 HA ASP 64 5.647 -3.212 -16.032 471 1HB ASP 64 1HB ASP 64 4.990 -0.666 -15.942 472 2HB ASP 64 2HB ASP 64 6.446 -0.533 -14.958 473 H LYS 65 H LYS 65 7.798 -3.809 -15.897 474 HA LYS 65 HA LYS 65 8.766 -4.252 -13.182 475 1HB LYS 65 1HB LYS 65 8.651 -6.070 -14.949 476 2HB LYS 65 2HB LYS 65 9.986 -5.256 -15.751 477 1HG LYS 65 1HG LYS 65 11.302 -5.510 -13.642 478 2HG LYS 65 2HG LYS 65 9.988 -6.510 -13.018 479 1HD LYS 65 1HD LYS 65 10.296 -8.102 -14.809 480 2HD LYS 65 2HD LYS 65 11.516 -7.072 -15.558 481 1HE LYS 65 1HE LYS 65 12.818 -7.306 -13.385 482 2HE LYS 65 2HE LYS 65 11.691 -8.597 -12.972 483 1HZ LYS 65 1HZ LYS 65 12.343 -9.711 -15.060 484 2HZ LYS 65 2HZ LYS 65 13.515 -8.516 -15.313 485 3HZ LYS 65 3HZ LYS 65 13.629 -9.542 -13.973 486 H ILE 66 H ILE 66 10.416 -3.182 -12.279 487 HA ILE 66 HA ILE 66 11.741 -1.085 -13.808 488 HB ILE 66 HB ILE 66 12.499 -1.619 -10.961 489 1HG1 ILE 66 1HG1 ILE 66 10.046 -1.793 -10.866 490 2HG1 ILE 66 2HG1 ILE 66 10.602 -0.309 -10.102 491 1HG2 ILE 66 1HG2 ILE 66 13.594 0.149 -12.198 492 2HG2 ILE 66 2HG2 ILE 66 12.036 0.893 -12.555 493 3HG2 ILE 66 3HG2 ILE 66 12.620 0.825 -10.892 494 1HD1 ILE 66 1HD1 ILE 66 10.138 0.512 -12.657 495 2HD1 ILE 66 2HD1 ILE 66 8.879 -0.701 -12.418 496 3HD1 ILE 66 3HD1 ILE 66 9.008 0.665 -11.311 497 H ILE 67 H ILE 67 13.502 -1.627 -14.956 498 HA ILE 67 HA ILE 67 15.139 -3.882 -14.119 499 HB ILE 67 HB ILE 67 15.539 -2.166 -16.573 500 1HG1 ILE 67 1HG1 ILE 67 13.267 -3.056 -16.625 501 2HG1 ILE 67 2HG1 ILE 67 14.271 -3.902 -17.798 502 1HG2 ILE 67 1HG2 ILE 67 17.431 -3.589 -15.921 503 2HG2 ILE 67 2HG2 ILE 67 16.375 -5.000 -15.960 504 3HG2 ILE 67 3HG2 ILE 67 16.712 -4.109 -17.445 505 1HD1 ILE 67 1HD1 ILE 67 14.531 -5.747 -16.173 506 2HD1 ILE 67 2HD1 ILE 67 13.408 -4.910 -15.100 507 3HD1 ILE 67 3HD1 ILE 67 12.863 -5.479 -16.678 508 H GLN 68 H GLN 68 15.605 -0.383 -14.730 509 HA GLN 68 HA GLN 68 17.899 -0.456 -12.926 510 1HB GLN 68 1HB GLN 68 18.672 -0.867 -15.316 511 2HB GLN 68 2HB GLN 68 18.192 0.792 -15.651 512 1HG GLN 68 1HG GLN 68 19.791 1.649 -14.114 513 2HG GLN 68 2HG GLN 68 20.150 0.036 -13.500 514 1HE2 GLN 68 2HE2 GLN 68 20.625 2.294 -16.087 515 2HE2 GLN 68 1HE2 GLN 68 21.892 1.432 -16.885 516 H ALA 69 H ALA 69 18.522 1.532 -12.071 517 HA ALA 69 HA ALA 69 16.920 3.885 -12.740 518 1HB ALA 69 1HB ALA 69 15.794 2.624 -10.879 519 2HB ALA 69 2HB ALA 69 17.210 2.970 -9.886 520 3HB ALA 69 3HB ALA 69 16.223 4.293 -10.505 521 H ASN 70 H ASN 70 18.192 5.611 -12.914 522 HA ASN 70 HA ASN 70 20.089 6.897 -12.939 523 1HB ASN 70 1HB ASN 70 19.832 6.217 -10.007 524 2HB ASN 70 2HB ASN 70 20.873 7.492 -10.636 525 1HD2 ASN 70 2HD2 ASN 70 19.891 9.265 -9.874 526 2HD2 ASN 70 1HD2 ASN 70 18.261 9.717 -10.227 527 H GLY 71 H GLY 71 20.649 3.996 -13.356 528 1HA GLY 71 1HA GLY 71 22.783 3.155 -14.002 529 2HA GLY 71 2HA GLY 71 23.519 4.140 -12.753 530 H TYR 72 H TYR 72 21.050 2.856 -11.088 531 HA TYR 72 HA TYR 72 22.705 0.634 -10.150 532 1HB TYR 72 1HB TYR 72 20.856 2.530 -8.905 533 2HB TYR 72 2HB TYR 72 20.560 0.873 -8.393 534 HD1 TYR 72 HD1 TYR 72 22.907 -0.438 -7.905 535 HD2 TYR 72 HD2 TYR 72 22.247 3.751 -7.545 536 HE1 TYR 72 HE1 TYR 72 24.775 -0.287 -6.313 537 HE2 TYR 72 HE2 TYR 72 24.114 3.913 -5.952 538 HH TYR 72 HH TYR 72 25.362 1.468 -4.327 539 H SER 73 H SER 73 22.217 -1.397 -10.677 540 HA SER 73 HA SER 73 19.914 -2.051 -12.212 541 1HB SER 73 1HB SER 73 22.272 -3.200 -12.110 542 2HB SER 73 2HB SER 73 21.547 -4.139 -10.805 543 HG SER 73 HG SER 73 19.854 -4.671 -12.319 544 H PHE 74 H PHE 74 17.934 -2.604 -11.552 545 HA PHE 74 HA PHE 74 17.485 -2.990 -8.688 546 1HB PHE 74 1HB PHE 74 15.818 -2.076 -10.984 547 2HB PHE 74 2HB PHE 74 15.001 -2.831 -9.622 548 HD1 PHE 74 HD1 PHE 74 18.001 -0.626 -9.478 549 HD2 PHE 74 HD2 PHE 74 13.826 -1.029 -8.734 550 HE1 PHE 74 HE1 PHE 74 18.010 1.521 -8.279 551 HE2 PHE 74 HE2 PHE 74 13.833 1.118 -7.533 552 HZ PHE 74 HZ PHE 74 15.924 2.394 -7.305 553 H ILE 75 H ILE 75 18.407 -5.153 -10.755 554 HA ILE 75 HA ILE 75 16.186 -7.029 -10.519 555 HB ILE 75 HB ILE 75 18.882 -7.521 -11.794 556 1HG1 ILE 75 1HG1 ILE 75 17.788 -5.610 -12.878 557 2HG1 ILE 75 2HG1 ILE 75 17.795 -7.013 -13.942 558 1HG2 ILE 75 1HG2 ILE 75 16.232 -8.943 -11.935 559 2HG2 ILE 75 2HG2 ILE 75 17.552 -9.239 -13.066 560 3HG2 ILE 75 3HG2 ILE 75 17.771 -9.573 -11.348 561 1HD1 ILE 75 1HD1 ILE 75 15.414 -7.374 -12.810 562 2HD1 ILE 75 2HD1 ILE 75 15.536 -5.622 -12.647 563 3HD1 ILE 75 3HD1 ILE 75 15.652 -6.371 -14.240 564 H ASN 76 H ASN 76 16.011 -8.329 -8.833 565 HA ASN 76 HA ASN 76 16.490 -9.609 -7.018 566 1HB ASN 76 1HB ASN 76 19.151 -9.889 -8.440 567 2HB ASN 76 2HB ASN 76 18.674 -10.837 -7.034 568 1HD2 ASN 76 2HD2 ASN 76 19.243 -11.435 -9.954 569 2HD2 ASN 76 1HD2 ASN 76 17.904 -12.408 -10.447 570 H ILE 77 H ILE 77 16.299 -7.611 -5.808 571 HA ILE 77 HA ILE 77 18.718 -7.119 -4.261 572 HB ILE 77 HB ILE 77 18.296 -4.652 -4.279 573 1HG1 ILE 77 1HG1 ILE 77 16.710 -5.146 -6.792 574 2HG1 ILE 77 2HG1 ILE 77 15.927 -4.986 -5.223 575 1HG2 ILE 77 1HG2 ILE 77 20.105 -5.643 -5.576 576 2HG2 ILE 77 2HG2 ILE 77 19.006 -5.902 -6.930 577 3HG2 ILE 77 3HG2 ILE 77 19.409 -4.262 -6.424 578 1HD1 ILE 77 1HD1 ILE 77 17.714 -2.910 -6.463 579 2HD1 ILE 77 2HD1 ILE 77 15.951 -2.895 -6.519 580 3HD1 ILE 77 3HD1 ILE 77 16.786 -2.755 -4.971 581 H GLU 78 H GLU 78 18.308 -6.339 -2.154 582 HA GLU 78 HA GLU 78 15.939 -7.280 -0.975 583 1HB GLU 78 1HB GLU 78 18.008 -5.356 0.104 584 2HB GLU 78 2HB GLU 78 16.755 -6.124 1.071 585 1HG GLU 78 1HG GLU 78 17.696 -8.336 0.364 586 2HG GLU 78 2HG GLU 78 19.043 -7.453 -0.354 587 H HIS 79 H HIS 79 14.116 -6.287 -0.227 588 HA HIS 79 HA HIS 79 12.913 -4.270 -1.637 589 1HB HIS 79 1HB HIS 79 11.930 -5.901 0.097 590 2HB HIS 79 2HB HIS 79 12.306 -4.654 1.283 591 HD1 HIS 79 HD1 HIS 79 10.013 -5.419 -1.569 592 HD2 HIS 79 HD2 HIS 79 10.679 -2.378 1.185 593 HE1 HIS 79 HE1 HIS 79 8.017 -3.898 -1.749 594 HE2 HIS 79 HE2 HIS 79 8.477 -2.028 -0.126 595 H GLY 80 H GLY 80 14.525 -3.848 1.525 596 1HA GLY 80 1HA GLY 80 14.077 -1.092 1.778 597 2HA GLY 80 2HA GLY 80 15.377 -1.981 2.555 598 H GLN 81 H GLN 81 16.446 -2.833 -0.100 599 HA GLN 81 HA GLN 81 18.247 -0.667 -0.468 600 1HB GLN 81 1HB GLN 81 18.048 -3.420 -1.271 601 2HB GLN 81 2HB GLN 81 18.440 -2.447 -2.682 602 1HG GLN 81 1HG GLN 81 20.489 -3.123 -1.748 603 2HG GLN 81 2HG GLN 81 20.290 -1.422 -1.327 604 1HE2 GLN 81 2HE2 GLN 81 21.204 -1.138 0.580 605 2HE2 GLN 81 1HE2 GLN 81 20.955 -2.120 1.979 606 H ALA 82 H ALA 82 15.544 -1.944 -2.376 607 HA ALA 82 HA ALA 82 15.860 -0.141 -4.546 608 1HB ALA 82 1HB ALA 82 14.659 -2.297 -4.697 609 2HB ALA 82 2HB ALA 82 13.368 -1.615 -3.709 610 3HB ALA 82 3HB ALA 82 13.713 -0.935 -5.299 611 H VAL 83 H VAL 83 13.897 -0.076 -1.611 612 HA VAL 83 HA VAL 83 12.455 2.282 -2.308 613 HB VAL 83 HB VAL 83 12.907 1.161 0.465 614 1HG1 VAL 83 1HG1 VAL 83 11.975 3.477 0.298 615 2HG1 VAL 83 2HG1 VAL 83 10.600 2.800 -0.574 616 3HG1 VAL 83 3HG1 VAL 83 10.910 2.318 1.094 617 1HG2 VAL 83 1HG2 VAL 83 11.939 -0.412 -1.353 618 2HG2 VAL 83 2HG2 VAL 83 11.111 -0.284 0.199 619 3HG2 VAL 83 3HG2 VAL 83 10.492 0.583 -1.207 620 H SER 84 H SER 84 15.272 1.651 -0.241 621 HA SER 84 HA SER 84 15.619 4.276 0.688 622 1HB SER 84 1HB SER 84 16.710 2.325 1.715 623 2HB SER 84 2HB SER 84 17.714 2.130 0.279 624 HG SER 84 HG SER 84 17.746 4.210 2.188 625 H LEU 85 H LEU 85 16.784 2.663 -2.222 626 HA LEU 85 HA LEU 85 18.601 4.685 -3.015 627 1HB LEU 85 1HB LEU 85 17.252 2.405 -4.406 628 2HB LEU 85 2HB LEU 85 18.151 3.586 -5.342 629 HG LEU 85 HG LEU 85 19.260 1.859 -3.129 630 1HD1 LEU 85 1HD1 LEU 85 18.787 0.677 -5.239 631 2HD1 LEU 85 2HD1 LEU 85 19.806 1.836 -6.092 632 3HD1 LEU 85 3HD1 LEU 85 20.512 0.766 -4.880 633 1HD2 LEU 85 1HD2 LEU 85 20.487 4.050 -4.783 634 2HD2 LEU 85 2HD2 LEU 85 20.452 3.890 -3.027 635 3HD2 LEU 85 3HD2 LEU 85 21.453 2.805 -3.992 636 H LEU 86 H LEU 86 15.226 4.033 -3.923 637 HA LEU 86 HA LEU 86 15.042 6.152 -5.791 638 1HB LEU 86 1HB LEU 86 13.092 4.390 -4.383 639 2HB LEU 86 2HB LEU 86 12.493 5.807 -5.228 640 HG LEU 86 HG LEU 86 14.168 3.647 -6.507 641 1HD1 LEU 86 1HD1 LEU 86 11.833 2.996 -5.707 642 2HD1 LEU 86 2HD1 LEU 86 11.235 4.105 -6.942 643 3HD1 LEU 86 3HD1 LEU 86 12.219 2.716 -7.404 644 1HD2 LEU 86 1HD2 LEU 86 12.708 6.043 -7.603 645 2HD2 LEU 86 2HD2 LEU 86 14.441 5.726 -7.653 646 3HD2 LEU 86 3HD2 LEU 86 13.335 4.732 -8.600 647 H LYS 87 H LYS 87 14.486 6.005 -2.315 648 HA LYS 87 HA LYS 87 13.187 8.564 -2.223 649 1HB LYS 87 1HB LYS 87 14.177 6.642 -0.138 650 2HB LYS 87 2HB LYS 87 13.597 8.244 0.304 651 1HG LYS 87 1HG LYS 87 11.572 7.406 -1.276 652 2HG LYS 87 2HG LYS 87 12.109 5.871 -0.595 653 1HD LYS 87 1HD LYS 87 11.842 8.090 1.328 654 2HD LYS 87 2HD LYS 87 10.335 7.528 0.601 655 1HE LYS 87 1HE LYS 87 10.463 6.133 2.412 656 2HE LYS 87 2HE LYS 87 11.307 5.162 1.206 657 1HZ LYS 87 1HZ LYS 87 12.731 6.988 3.051 658 2HZ LYS 87 2HZ LYS 87 12.412 5.375 3.443 659 3HZ LYS 87 3HZ LYS 87 13.381 5.744 2.107 660 H THR 88 H THR 88 16.481 7.389 -1.588 661 HA THR 88 HA THR 88 17.402 9.830 -0.476 662 HB THR 88 HB THR 88 18.518 7.696 -0.044 663 HG1 THR 88 HG1 THR 88 20.483 8.559 -0.023 664 1HG2 THR 88 1HG2 THR 88 19.658 7.786 -2.811 665 2HG2 THR 88 2HG2 THR 88 19.784 6.505 -1.605 666 3HG2 THR 88 3HG2 THR 88 18.244 6.816 -2.404 667 H PHE 89 H PHE 89 16.965 8.771 -3.774 668 HA PHE 89 HA PHE 89 18.860 10.207 -5.151 669 1HB PHE 89 1HB PHE 89 16.003 9.573 -5.848 670 2HB PHE 89 2HB PHE 89 17.047 10.421 -6.972 671 HD1 PHE 89 HD1 PHE 89 19.604 8.699 -6.175 672 HD2 PHE 89 HD2 PHE 89 15.601 7.758 -7.308 673 HE1 PHE 89 HE1 PHE 89 20.359 6.541 -7.055 674 HE2 PHE 89 HE2 PHE 89 16.368 5.600 -8.197 675 HZ PHE 89 HZ PHE 89 18.746 4.989 -8.070 676 H GLN 90 H GLN 90 18.236 12.094 -6.707 677 HA GLN 90 HA GLN 90 17.822 14.385 -5.008 678 1HB GLN 90 1HB GLN 90 18.430 14.224 -7.968 679 2HB GLN 90 2HB GLN 90 18.574 15.656 -6.957 680 1HG GLN 90 1HG GLN 90 20.147 13.124 -6.547 681 2HG GLN 90 2HG GLN 90 20.730 14.530 -7.435 682 1HE2 GLN 90 2HE2 GLN 90 21.459 13.121 -4.823 683 2HE2 GLN 90 1HE2 GLN 90 21.599 14.418 -3.689 684 H ASN 91 H ASN 91 16.663 15.953 -7.478 685 HA ASN 91 HA ASN 91 13.916 15.620 -6.689 686 1HB ASN 91 1HB ASN 91 15.243 17.438 -8.708 687 2HB ASN 91 2HB ASN 91 13.523 17.481 -8.327 688 1HD2 ASN 91 2HD2 ASN 91 12.932 17.940 -6.103 689 2HD2 ASN 91 1HD2 ASN 91 13.942 18.980 -5.163 690 H THR 92 H THR 92 15.489 15.647 -9.896 691 HA THR 92 HA THR 92 13.294 14.094 -10.995 692 HB THR 92 HB THR 92 15.049 14.326 -13.059 693 HG1 THR 92 HG1 THR 92 16.609 15.522 -12.209 694 1HG2 THR 92 1HG2 THR 92 13.346 16.657 -12.243 695 2HG2 THR 92 2HG2 THR 92 13.787 16.135 -13.869 696 3HG2 THR 92 3HG2 THR 92 12.675 15.164 -12.902 697 H VAL 93 H VAL 93 13.396 11.990 -11.639 698 HA VAL 93 HA VAL 93 15.942 10.562 -11.203 699 HB VAL 93 HB VAL 93 13.223 9.401 -10.583 700 1HG1 VAL 93 1HG1 VAL 93 14.942 7.766 -11.126 701 2HG1 VAL 93 2HG1 VAL 93 16.016 8.474 -9.919 702 3HG1 VAL 93 3HG1 VAL 93 14.522 7.683 -9.416 703 1HG2 VAL 93 1HG2 VAL 93 13.820 11.325 -9.086 704 2HG2 VAL 93 2HG2 VAL 93 13.612 9.780 -8.260 705 3HG2 VAL 93 3HG2 VAL 93 15.233 10.403 -8.571 706 H GLU 94 H GLU 94 16.632 9.570 -12.969 707 HA GLU 94 HA GLU 94 14.777 9.090 -15.173 708 1HB GLU 94 1HB GLU 94 17.776 9.169 -14.942 709 2HB GLU 94 2HB GLU 94 16.996 8.461 -16.352 710 1HG GLU 94 1HG GLU 94 15.820 10.593 -16.734 711 2HG GLU 94 2HG GLU 94 16.698 11.291 -15.374 712 H LEU 95 H LEU 95 13.681 7.231 -14.830 713 HA LEU 95 HA LEU 95 15.186 4.847 -14.000 714 1HB LEU 95 1HB LEU 95 12.220 5.401 -14.040 715 2HB LEU 95 2HB LEU 95 12.936 3.869 -13.573 716 HG LEU 95 HG LEU 95 14.246 5.370 -11.846 717 1HD1 LEU 95 1HD1 LEU 95 11.749 6.974 -12.368 718 2HD1 LEU 95 2HD1 LEU 95 12.867 7.215 -11.026 719 3HD1 LEU 95 3HD1 LEU 95 13.403 7.494 -12.683 720 1HD2 LEU 95 1HD2 LEU 95 11.416 4.382 -11.657 721 2HD2 LEU 95 2HD2 LEU 95 12.891 3.618 -11.066 722 3HD2 LEU 95 3HD2 LEU 95 12.268 5.062 -10.271 723 H ILE 96 H ILE 96 14.794 2.831 -15.031 724 HA ILE 96 HA ILE 96 13.970 3.072 -17.855 725 HB ILE 96 HB ILE 96 15.946 1.077 -16.733 726 1HG1 ILE 96 1HG1 ILE 96 16.556 3.548 -18.363 727 2HG1 ILE 96 2HG1 ILE 96 16.739 3.461 -16.614 728 1HG2 ILE 96 1HG2 ILE 96 15.156 1.805 -19.551 729 2HG2 ILE 96 2HG2 ILE 96 16.514 0.760 -19.134 730 3HG2 ILE 96 3HG2 ILE 96 14.870 0.274 -18.724 731 1HD1 ILE 96 1HD1 ILE 96 18.090 1.298 -18.011 732 2HD1 ILE 96 2HD1 ILE 96 18.673 2.899 -18.464 733 3HD1 ILE 96 3HD1 ILE 96 18.687 2.401 -16.772 734 H ILE 97 H ILE 97 12.342 1.770 -18.513 735 HA ILE 97 HA ILE 97 11.550 -0.458 -16.744 736 HB ILE 97 HB ILE 97 9.189 0.030 -17.302 737 1HG1 ILE 97 1HG1 ILE 97 10.206 2.665 -18.374 738 2HG1 ILE 97 2HG1 ILE 97 9.757 1.313 -19.411 739 1HG2 ILE 97 1HG2 ILE 97 10.244 0.834 -15.219 740 2HG2 ILE 97 2HG2 ILE 97 10.617 2.358 -16.025 741 3HG2 ILE 97 3HG2 ILE 97 8.938 1.881 -15.772 742 1HD1 ILE 97 1HD1 ILE 97 7.784 2.252 -17.403 743 2HD1 ILE 97 2HD1 ILE 97 8.064 3.240 -18.838 744 3HD1 ILE 97 3HD1 ILE 97 7.532 1.568 -19.009 745 H VAL 98 H VAL 98 10.251 -2.125 -17.786 746 HA VAL 98 HA VAL 98 10.524 -2.298 -20.692 747 HB VAL 98 HB VAL 98 11.591 -4.398 -18.785 748 1HG1 VAL 98 1HG1 VAL 98 10.526 -5.303 -20.894 749 2HG1 VAL 98 2HG1 VAL 98 11.783 -4.457 -21.792 750 3HG1 VAL 98 3HG1 VAL 98 12.220 -5.724 -20.648 751 1HG2 VAL 98 1HG2 VAL 98 13.002 -2.562 -20.712 752 2HG2 VAL 98 2HG2 VAL 98 13.069 -2.500 -18.950 753 3HG2 VAL 98 3HG2 VAL 98 13.767 -3.871 -19.811 754 H ARG 99 H ARG 99 9.100 -3.744 -21.690 755 HA ARG 99 HA ARG 99 6.897 -4.706 -19.978 756 1HB ARG 99 1HB ARG 99 6.919 -3.596 -22.777 757 2HB ARG 99 2HB ARG 99 5.592 -4.604 -22.210 758 1HG ARG 99 1HG ARG 99 4.914 -2.369 -21.901 759 2HG ARG 99 2HG ARG 99 5.326 -2.986 -20.300 760 1HD ARG 99 1HD ARG 99 7.243 -1.717 -20.157 761 2HD ARG 99 2HD ARG 99 7.414 -1.585 -21.906 762 HE ARG 99 HE ARG 99 5.866 0.125 -20.169 763 1HH1 ARG 99 1HH1 ARG 99 6.355 -0.933 -23.484 764 2HH1 ARG 99 2HH1 ARG 99 5.636 0.488 -24.163 765 1HH2 ARG 99 1HH2 ARG 99 4.926 1.977 -21.086 766 2HH2 ARG 99 2HH2 ARG 99 4.829 2.132 -22.808 767 H GLU 100 H GLU 100 6.862 -6.845 -19.768 768 HA GLU 100 HA GLU 100 8.485 -8.603 -21.230 769 1HB GLU 100 1HB GLU 100 6.030 -9.195 -19.570 770 2HB GLU 100 2HB GLU 100 7.185 -10.399 -20.127 771 1HG GLU 100 1HG GLU 100 7.945 -8.066 -18.395 772 2HG GLU 100 2HG GLU 100 7.459 -9.635 -17.755 773 H VAL 101 H VAL 101 8.255 -9.587 -23.123 774 HA VAL 101 HA VAL 101 5.577 -9.995 -24.239 775 HB VAL 101 HB VAL 101 7.802 -8.873 -25.942 776 1HG1 VAL 101 1HG1 VAL 101 6.047 -10.226 -27.048 777 2HG1 VAL 101 2HG1 VAL 101 4.839 -9.086 -26.454 778 3HG1 VAL 101 3HG1 VAL 101 6.076 -8.548 -27.590 779 1HG2 VAL 101 1HG2 VAL 101 5.642 -7.452 -24.429 780 2HG2 VAL 101 2HG2 VAL 101 7.352 -7.047 -24.577 781 3HG2 VAL 101 3HG2 VAL 101 6.265 -6.795 -25.943 782 H SER 102 H SER 102 5.632 -12.194 -24.167 783 HA SER 102 HA SER 102 7.419 -13.533 -26.005 784 1HB SER 102 1HB SER 102 8.671 -13.422 -23.818 785 2HB SER 102 2HB SER 102 7.397 -14.417 -23.114 786 HG SER 102 HG SER 102 9.422 -15.429 -24.091 787 H SER 103 H SER 103 6.983 -16.064 -25.705 788 HA SER 103 HA SER 103 4.113 -16.348 -26.055 789 1HB SER 103 1HB SER 103 4.674 -18.607 -26.889 790 2HB SER 103 2HB SER 103 5.601 -17.358 -27.718 791 HG SER 103 HG SER 103 7.399 -18.016 -26.748 792 1H THR 301 1H THR 301 -0.546 -0.476 8.053 793 2H THR 301 2H THR 301 -0.010 0.378 6.663 794 3H THR 301 3H THR 301 0.678 -1.144 7.056 795 HA THR 301 HA THR 301 -1.405 -2.214 6.687 796 HB THR 301 HB THR 301 -3.225 -0.834 5.637 797 HG1 THR 301 HG1 THR 301 -2.197 0.979 4.973 798 1HG2 THR 301 1HG2 THR 301 -2.493 0.182 8.367 799 2HG2 THR 301 2HG2 THR 301 -4.097 0.101 7.641 800 3HG2 THR 301 3HG2 THR 301 -3.245 -1.383 8.066 801 H GLY 302 H GLY 302 -1.476 -3.273 4.771 802 1HA GLY 302 1HA GLY 302 -1.378 -3.469 2.417 803 2HA GLY 302 2HA GLY 302 -0.562 -1.914 2.344 804 H TRP 303 H TRP 303 0.338 -4.095 0.897 805 HA TRP 303 HA TRP 303 2.711 -5.020 2.366 806 1HB TRP 303 1HB TRP 303 2.920 -6.577 0.297 807 2HB TRP 303 2HB TRP 303 1.694 -6.933 1.505 808 HD1 TRP 303 HD1 TRP 303 -0.814 -6.883 0.747 809 HE1 TRP 303 HE1 TRP 303 -1.976 -6.621 -1.534 810 HE3 TRP 303 HE3 TRP 303 3.183 -5.304 -2.024 811 HZ2 TRP 303 HZ2 TRP 303 -1.288 -5.849 -4.158 812 HZ3 TRP 303 HZ3 TRP 303 2.845 -4.826 -4.414 813 HH2 TRP 303 HH2 TRP 303 0.654 -5.094 -5.458 814 H GLU 304 H GLU 304 1.685 -3.137 -0.394 815 HA GLU 304 HA GLU 304 4.232 -3.001 -1.663 816 1HB GLU 304 1HB GLU 304 3.249 -1.205 -2.989 817 2HB GLU 304 2HB GLU 304 2.121 -2.547 -2.852 818 1HG GLU 304 1HG GLU 304 1.876 -0.380 -0.852 819 2HG GLU 304 2HG GLU 304 1.406 -0.010 -2.506 820 H THR 305 H THR 305 5.168 -0.667 -2.034 821 HA THR 305 HA THR 305 5.202 0.868 0.455 822 HB THR 305 HB THR 305 7.778 0.076 -0.901 823 HG1 THR 305 HG1 THR 305 6.574 -1.130 1.367 824 1HG2 THR 305 1HG2 THR 305 8.672 0.560 1.410 825 2HG2 THR 305 2HG2 THR 305 8.141 1.951 0.465 826 3HG2 THR 305 3HG2 THR 305 7.114 1.313 1.749 827 H TRP 306 H TRP 306 4.852 2.920 -0.043 828 HA TRP 306 HA TRP 306 5.230 3.856 -2.754 829 1HB TRP 306 1HB TRP 306 4.057 5.109 -0.273 830 2HB TRP 306 2HB TRP 306 4.255 6.000 -1.779 831 HD1 TRP 306 HD1 TRP 306 2.232 3.124 -0.250 832 HE1 TRP 306 HE1 TRP 306 0.175 2.690 -1.736 833 HE3 TRP 306 HE3 TRP 306 3.368 6.241 -4.140 834 HZ2 TRP 306 HZ2 TRP 306 -0.831 3.555 -4.228 835 HZ3 TRP 306 HZ3 TRP 306 1.807 6.380 -6.036 836 HH2 TRP 306 HH2 TRP 306 -0.250 5.063 -6.078 837 H VAL 307 H VAL 307 7.075 4.673 -3.440 838 HA VAL 307 HA VAL 307 9.080 5.599 -1.559 839 HB VAL 307 HB VAL 307 10.491 5.881 -3.613 840 1HG1 VAL 307 1HG1 VAL 307 9.232 3.172 -3.203 841 2HG1 VAL 307 2HG1 VAL 307 10.770 3.478 -4.010 842 3HG1 VAL 307 3HG1 VAL 307 10.587 3.841 -2.294 843 1HG2 VAL 307 1HG2 VAL 307 8.481 6.215 -5.118 844 2HG2 VAL 307 2HG2 VAL 307 9.746 5.151 -5.732 845 3HG2 VAL 307 3HG2 VAL 307 8.266 4.466 -5.060 Start of MODEL 16 1 1H GLY 1 1H GLY 1 16.491 -11.578 -37.354 2 2H GLY 1 2H GLY 1 16.378 -9.941 -37.767 3 3H GLY 1 3H GLY 1 15.016 -10.938 -37.884 4 1HA GLY 1 1HA GLY 1 15.034 -11.268 -35.477 5 2HA GLY 1 2HA GLY 1 16.416 -10.186 -35.375 6 H SER 2 H SER 2 15.774 -8.337 -34.497 7 HA SER 2 HA SER 2 13.095 -7.321 -35.026 8 1HB SER 2 1HB SER 2 14.005 -7.373 -32.701 9 2HB SER 2 2HB SER 2 15.224 -6.198 -33.193 10 HG SER 2 HG SER 2 13.292 -5.306 -32.191 11 H HIS 3 H HIS 3 12.762 -6.000 -36.677 12 HA HIS 3 HA HIS 3 14.964 -4.587 -37.916 13 1HB HIS 3 1HB HIS 3 12.278 -5.435 -38.683 14 2HB HIS 3 2HB HIS 3 12.616 -3.786 -39.199 15 HD1 HIS 3 HD1 HIS 3 12.469 -6.649 -40.864 16 HD2 HIS 3 HD2 HIS 3 15.751 -4.219 -40.097 17 HE1 HIS 3 HE1 HIS 3 14.140 -7.186 -42.665 18 HE2 HIS 3 HE2 HIS 3 16.075 -5.631 -42.238 19 H MET 4 H MET 4 15.245 -2.375 -37.984 20 HA MET 4 HA MET 4 14.104 -0.891 -35.804 21 1HB MET 4 1HB MET 4 15.499 0.992 -36.750 22 2HB MET 4 2HB MET 4 16.393 -0.448 -36.280 23 1HG MET 4 1HG MET 4 15.524 -0.457 -39.070 24 2HG MET 4 2HG MET 4 16.613 0.867 -38.668 25 1HE MET 4 1HE MET 4 18.552 0.307 -36.909 26 2HE MET 4 2HE MET 4 19.749 -0.915 -37.340 27 3HE MET 4 3HE MET 4 19.399 0.408 -38.453 28 H GLY 5 H GLY 5 11.961 -0.509 -36.113 29 1HA GLY 5 1HA GLY 5 10.960 1.660 -37.314 30 2HA GLY 5 2HA GLY 5 10.997 0.524 -38.653 31 H HIS 6 H HIS 6 10.414 -1.793 -37.008 32 HA HIS 6 HA HIS 6 7.609 -1.231 -36.284 33 1HB HIS 6 1HB HIS 6 8.291 -2.646 -38.466 34 2HB HIS 6 2HB HIS 6 8.325 -3.942 -37.274 35 HD1 HIS 6 HD1 HIS 6 5.924 -1.212 -38.411 36 HD2 HIS 6 HD2 HIS 6 5.902 -5.069 -36.862 37 HE1 HIS 6 HE1 HIS 6 3.509 -1.913 -38.383 38 HE2 HIS 6 HE2 HIS 6 3.532 -4.286 -37.537 39 H GLU 7 H GLU 7 8.188 -1.042 -34.084 40 HA GLU 7 HA GLU 7 9.421 -3.334 -32.774 41 1HB GLU 7 1HB GLU 7 9.266 -1.891 -30.731 42 2HB GLU 7 2HB GLU 7 10.207 -1.191 -32.042 43 1HG GLU 7 1HG GLU 7 8.458 0.303 -32.617 44 2HG GLU 7 2HG GLU 7 7.318 -0.525 -31.556 45 H LEU 8 H LEU 8 8.430 -4.331 -30.883 46 HA LEU 8 HA LEU 8 5.701 -3.947 -30.237 47 1HB LEU 8 1HB LEU 8 5.953 -5.247 -32.599 48 2HB LEU 8 2HB LEU 8 5.965 -6.611 -31.493 49 HG LEU 8 HG LEU 8 3.821 -4.504 -31.403 50 1HD1 LEU 8 1HD1 LEU 8 3.933 -5.536 -33.663 51 2HD1 LEU 8 2HD1 LEU 8 3.699 -7.111 -32.907 52 3HD1 LEU 8 3HD1 LEU 8 2.439 -5.882 -32.793 53 1HD2 LEU 8 1HD2 LEU 8 4.003 -7.342 -30.403 54 2HD2 LEU 8 2HD2 LEU 8 4.000 -5.874 -29.426 55 3HD2 LEU 8 3HD2 LEU 8 2.556 -6.336 -30.328 56 H ALA 9 H ALA 9 8.380 -6.266 -30.336 57 HA ALA 9 HA ALA 9 7.557 -7.839 -28.151 58 1HB ALA 9 1HB ALA 9 9.358 -8.245 -29.985 59 2HB ALA 9 2HB ALA 9 10.444 -7.481 -28.824 60 3HB ALA 9 3HB ALA 9 9.567 -8.944 -28.379 61 H LYS 10 H LYS 10 9.900 -7.868 -26.473 62 HA LYS 10 HA LYS 10 9.173 -6.198 -24.408 63 1HB LYS 10 1HB LYS 10 11.909 -7.322 -25.032 64 2HB LYS 10 2HB LYS 10 11.446 -6.630 -23.484 65 1HG LYS 10 1HG LYS 10 10.643 -8.585 -22.825 66 2HG LYS 10 2HG LYS 10 9.502 -8.585 -24.168 67 1HD LYS 10 1HD LYS 10 11.750 -9.354 -25.453 68 2HD LYS 10 2HD LYS 10 12.073 -10.012 -23.850 69 1HE LYS 10 1HE LYS 10 10.790 -11.755 -24.368 70 2HE LYS 10 2HE LYS 10 9.401 -10.672 -24.432 71 1HZ LYS 10 1HZ LYS 10 10.183 -10.212 -26.809 72 2HZ LYS 10 2HZ LYS 10 11.103 -11.622 -26.649 73 3HZ LYS 10 3HZ LYS 10 9.420 -11.691 -26.500 74 H GLN 11 H GLN 11 8.922 -4.040 -24.660 75 HA GLN 11 HA GLN 11 10.937 -2.460 -26.044 76 1HB GLN 11 1HB GLN 11 8.340 -1.650 -24.730 77 2HB GLN 11 2HB GLN 11 9.378 -0.580 -25.664 78 1HG GLN 11 1HG GLN 11 8.590 -1.323 -27.608 79 2HG GLN 11 2HG GLN 11 8.665 -3.007 -27.097 80 1HE2 GLN 11 2HE2 GLN 11 6.877 -3.930 -26.064 81 2HE2 GLN 11 1HE2 GLN 11 5.305 -3.220 -26.156 82 H GLU 12 H GLU 12 12.722 -1.990 -24.903 83 HA GLU 12 HA GLU 12 12.568 -1.449 -22.044 84 1HB GLU 12 1HB GLU 12 14.405 -2.830 -23.201 85 2HB GLU 12 2HB GLU 12 15.046 -1.287 -23.747 86 1HG GLU 12 1HG GLU 12 15.511 -0.582 -21.555 87 2HG GLU 12 2HG GLU 12 14.527 -1.864 -20.849 88 H ILE 13 H ILE 13 11.577 0.523 -21.826 89 HA ILE 13 HA ILE 13 12.886 2.831 -23.131 90 HB ILE 13 HB ILE 13 10.763 4.079 -22.672 91 1HG1 ILE 13 1HG1 ILE 13 9.990 2.291 -20.959 92 2HG1 ILE 13 2HG1 ILE 13 8.782 3.020 -22.002 93 1HG2 ILE 13 1HG2 ILE 13 10.688 1.734 -24.560 94 2HG2 ILE 13 2HG2 ILE 13 9.577 3.102 -24.618 95 3HG2 ILE 13 3HG2 ILE 13 11.302 3.354 -24.889 96 1HD1 ILE 13 1HD1 ILE 13 9.801 0.631 -23.225 97 2HD1 ILE 13 2HD1 ILE 13 9.278 0.295 -21.575 98 3HD1 ILE 13 3HD1 ILE 13 8.155 1.021 -22.726 99 H ARG 14 H ARG 14 12.768 4.896 -21.945 100 HA ARG 14 HA ARG 14 13.474 4.469 -19.129 101 1HB ARG 14 1HB ARG 14 14.013 6.823 -20.951 102 2HB ARG 14 2HB ARG 14 14.553 6.685 -19.284 103 1HG ARG 14 1HG ARG 14 15.915 4.752 -19.879 104 2HG ARG 14 2HG ARG 14 15.369 4.882 -21.552 105 1HD ARG 14 1HD ARG 14 16.267 7.295 -21.420 106 2HD ARG 14 2HD ARG 14 17.138 6.735 -19.994 107 HE ARG 14 HE ARG 14 17.682 6.065 -22.753 108 1HH1 ARG 14 1HH1 ARG 14 18.216 5.153 -19.401 109 2HH1 ARG 14 2HH1 ARG 14 19.657 4.261 -19.758 110 1HH2 ARG 14 1HH2 ARG 14 19.569 4.888 -23.190 111 2HH2 ARG 14 2HH2 ARG 14 20.421 4.111 -21.897 112 H VAL 15 H VAL 15 12.972 6.356 -17.653 113 HA VAL 15 HA VAL 15 10.550 7.828 -18.288 114 HB VAL 15 HB VAL 15 10.613 5.965 -15.905 115 1HG1 VAL 15 1HG1 VAL 15 8.819 8.145 -16.752 116 2HG1 VAL 15 2HG1 VAL 15 8.019 6.664 -16.227 117 3HG1 VAL 15 3HG1 VAL 15 9.137 7.495 -15.144 118 1HG2 VAL 15 1HG2 VAL 15 9.171 5.735 -18.543 119 2HG2 VAL 15 2HG2 VAL 15 10.398 4.646 -17.895 120 3HG2 VAL 15 3HG2 VAL 15 8.814 4.746 -17.128 121 H ARG 16 H ARG 16 10.385 9.730 -17.178 122 HA ARG 16 HA ARG 16 12.499 10.303 -15.200 123 1HB ARG 16 1HB ARG 16 11.420 11.839 -17.494 124 2HB ARG 16 2HB ARG 16 11.731 12.775 -16.037 125 1HG ARG 16 1HG ARG 16 14.041 12.036 -16.025 126 2HG ARG 16 2HG ARG 16 13.742 11.028 -17.442 127 1HD ARG 16 1HD ARG 16 13.318 12.946 -18.804 128 2HD ARG 16 2HD ARG 16 13.329 14.010 -17.400 129 HE ARG 16 HE ARG 16 15.632 14.006 -17.435 130 1HH1 ARG 16 1HH1 ARG 16 14.468 11.540 -19.651 131 2HH1 ARG 16 2HH1 ARG 16 16.024 11.292 -20.370 132 1HH2 ARG 16 1HH2 ARG 16 17.658 13.659 -18.392 133 2HH2 ARG 16 2HH2 ARG 16 17.827 12.488 -19.658 134 H VAL 17 H VAL 17 11.623 10.204 -13.209 135 HA VAL 17 HA VAL 17 8.962 11.405 -12.787 136 HB VAL 17 HB VAL 17 10.351 9.461 -10.937 137 1HG1 VAL 17 1HG1 VAL 17 7.488 10.394 -11.123 138 2HG1 VAL 17 2HG1 VAL 17 8.096 9.176 -10.003 139 3HG1 VAL 17 3HG1 VAL 17 8.656 10.844 -9.879 140 1HG2 VAL 17 1HG2 VAL 17 9.934 8.392 -13.112 141 2HG2 VAL 17 2HG2 VAL 17 8.921 7.714 -11.838 142 3HG2 VAL 17 3HG2 VAL 17 8.235 8.850 -13.001 143 H GLU 18 H GLU 18 8.886 13.252 -11.698 144 HA GLU 18 HA GLU 18 11.280 14.268 -10.415 145 1HB GLU 18 1HB GLU 18 8.573 15.476 -10.980 146 2HB GLU 18 2HB GLU 18 9.824 16.322 -10.078 147 1HG GLU 18 1HG GLU 18 11.155 16.609 -11.916 148 2HG GLU 18 2HG GLU 18 10.496 15.202 -12.749 149 H LYS 19 H LYS 19 11.171 15.285 -8.273 150 HA LYS 19 HA LYS 19 9.442 13.748 -6.444 151 1HB LYS 19 1HB LYS 19 12.135 13.698 -6.483 152 2HB LYS 19 2HB LYS 19 11.892 15.066 -5.406 153 1HG LYS 19 1HG LYS 19 12.015 13.286 -3.946 154 2HG LYS 19 2HG LYS 19 10.275 13.494 -4.151 155 1HD LYS 19 1HD LYS 19 10.648 11.177 -4.331 156 2HD LYS 19 2HD LYS 19 10.441 11.744 -5.989 157 1HE LYS 19 1HE LYS 19 12.289 10.269 -6.019 158 2HE LYS 19 2HE LYS 19 12.957 11.898 -6.120 159 1HZ LYS 19 1HZ LYS 19 12.755 10.312 -3.617 160 2HZ LYS 19 2HZ LYS 19 14.158 10.459 -4.552 161 3HZ LYS 19 3HZ LYS 19 13.498 11.822 -3.795 162 H ASP 20 H ASP 20 7.844 15.471 -6.948 163 HA ASP 20 HA ASP 20 8.167 17.690 -5.059 164 1HB ASP 20 1HB ASP 20 8.663 18.434 -7.433 165 2HB ASP 20 2HB ASP 20 6.978 18.083 -7.809 166 HA PRO 21 HA PRO 21 7.677 17.086 -3.218 167 1HB PRO 21 1HB PRO 21 6.195 15.637 -1.270 168 2HB PRO 21 2HB PRO 21 6.414 17.384 -1.369 169 1HG PRO 21 1HG PRO 21 4.007 16.024 -1.728 170 2HG PRO 21 2HG PRO 21 4.336 17.694 -2.217 171 1HD PRO 21 1HD PRO 21 4.360 15.195 -3.855 172 2HD PRO 21 2HD PRO 21 3.820 16.829 -4.294 173 H GLU 22 H GLU 22 6.038 14.218 -4.362 174 HA GLU 22 HA GLU 22 8.456 12.660 -3.766 175 1HB GLU 22 1HB GLU 22 5.600 11.829 -3.227 176 2HB GLU 22 2HB GLU 22 6.949 10.698 -3.254 177 1HG GLU 22 1HG GLU 22 8.021 12.042 -1.457 178 2HG GLU 22 2HG GLU 22 6.550 13.008 -1.370 179 H LEU 23 H LEU 23 8.034 10.334 -4.901 180 HA LEU 23 HA LEU 23 8.101 10.857 -7.676 181 1HB LEU 23 1HB LEU 23 7.847 8.251 -6.166 182 2HB LEU 23 2HB LEU 23 8.115 8.367 -7.897 183 HG LEU 23 HG LEU 23 10.149 9.939 -6.867 184 1HD1 LEU 23 1HD1 LEU 23 9.413 8.908 -4.611 185 2HD1 LEU 23 2HD1 LEU 23 10.218 7.457 -5.204 186 3HD1 LEU 23 3HD1 LEU 23 11.128 8.956 -5.019 187 1HD2 LEU 23 1HD2 LEU 23 10.123 7.050 -7.715 188 2HD2 LEU 23 2HD2 LEU 23 10.536 8.466 -8.682 189 3HD2 LEU 23 3HD2 LEU 23 11.607 7.943 -7.382 190 H GLY 24 H GLY 24 5.716 9.045 -5.716 191 1HA GLY 24 1HA GLY 24 3.359 9.517 -5.981 192 2HA GLY 24 2HA GLY 24 3.662 9.859 -7.673 193 H PHE 25 H PHE 25 5.251 7.042 -6.459 194 HA PHE 25 HA PHE 25 3.027 5.309 -7.196 195 1HB PHE 25 1HB PHE 25 4.290 4.043 -8.835 196 2HB PHE 25 2HB PHE 25 4.235 5.734 -9.314 197 HD1 PHE 25 HD1 PHE 25 6.240 7.106 -9.266 198 HD2 PHE 25 HD2 PHE 25 6.352 2.994 -8.175 199 HE1 PHE 25 HE1 PHE 25 8.692 7.120 -9.475 200 HE2 PHE 25 HE2 PHE 25 8.803 3.002 -8.378 201 HZ PHE 25 HZ PHE 25 9.976 5.067 -9.030 202 H SER 26 H SER 26 3.344 3.068 -6.619 203 HA SER 26 HA SER 26 5.224 2.775 -4.370 204 1HB SER 26 1HB SER 26 3.578 0.802 -3.841 205 2HB SER 26 2HB SER 26 3.117 2.459 -3.447 206 HG SER 26 HG SER 26 2.414 1.126 -5.853 207 H ILE 27 H ILE 27 6.370 0.828 -4.094 208 HA ILE 27 HA ILE 27 6.580 -0.848 -6.518 209 HB ILE 27 HB ILE 27 8.983 -1.147 -5.954 210 1HG1 ILE 27 1HG1 ILE 27 8.701 1.240 -4.139 211 2HG1 ILE 27 2HG1 ILE 27 8.556 -0.400 -3.512 212 1HG2 ILE 27 1HG2 ILE 27 8.253 0.467 -7.650 213 2HG2 ILE 27 2HG2 ILE 27 8.148 1.716 -6.410 214 3HG2 ILE 27 3HG2 ILE 27 9.710 1.007 -6.818 215 1HD1 ILE 27 1HD1 ILE 27 10.941 0.468 -5.102 216 2HD1 ILE 27 2HD1 ILE 27 10.827 0.736 -3.362 217 3HD1 ILE 27 3HD1 ILE 27 10.779 -0.905 -4.006 218 H SER 28 H SER 28 7.101 -3.063 -6.213 219 HA SER 28 HA SER 28 7.166 -4.108 -3.495 220 1HB SER 28 1HB SER 28 5.268 -5.613 -3.831 221 2HB SER 28 2HB SER 28 4.755 -3.936 -4.016 222 HG SER 28 HG SER 28 4.582 -4.211 -6.170 223 H GLY 29 H GLY 29 7.532 -6.510 -3.476 224 1HA GLY 29 1HA GLY 29 8.112 -8.491 -4.765 225 2HA GLY 29 2HA GLY 29 8.853 -7.436 -5.956 226 H GLY 30 H GLY 30 10.937 -6.731 -5.662 227 1HA GLY 30 1HA GLY 30 13.058 -6.608 -4.751 228 2HA GLY 30 2HA GLY 30 12.374 -7.108 -3.209 229 H VAL 31 H VAL 31 13.594 -8.776 -2.550 230 HA VAL 31 HA VAL 31 13.625 -11.193 -4.154 231 HB VAL 31 HB VAL 31 16.226 -10.094 -3.067 232 1HG1 VAL 31 1HG1 VAL 31 15.630 -12.473 -4.828 233 2HG1 VAL 31 2HG1 VAL 31 17.239 -11.916 -4.366 234 3HG1 VAL 31 3HG1 VAL 31 16.129 -12.524 -3.137 235 1HG2 VAL 31 1HG2 VAL 31 15.155 -10.100 -5.882 236 2HG2 VAL 31 2HG2 VAL 31 15.608 -8.702 -4.905 237 3HG2 VAL 31 3HG2 VAL 31 16.847 -9.822 -5.469 238 H GLY 32 H GLY 32 12.247 -11.968 -2.525 239 1HA GLY 32 1HA GLY 32 12.133 -13.482 -0.724 240 2HA GLY 32 2HA GLY 32 13.660 -12.858 -0.129 241 H GLY 33 H GLY 33 11.669 -10.234 -0.888 242 1HA GLY 33 1HA GLY 33 11.292 -9.622 1.890 243 2HA GLY 33 2HA GLY 33 10.803 -8.627 0.527 244 H ARG 34 H ARG 34 8.721 -8.166 0.915 245 HA ARG 34 HA ARG 34 6.928 -9.961 2.187 246 1HB ARG 34 1HB ARG 34 6.748 -7.268 0.943 247 2HB ARG 34 2HB ARG 34 5.247 -8.160 1.160 248 1HG ARG 34 1HG ARG 34 6.537 -8.446 3.592 249 2HG ARG 34 2HG ARG 34 6.903 -6.789 3.116 250 1HD ARG 34 1HD ARG 34 4.715 -6.128 3.232 251 2HD ARG 34 2HD ARG 34 4.096 -7.732 2.843 252 HE ARG 34 HE ARG 34 5.388 -7.529 5.419 253 1HH1 ARG 34 1HH1 ARG 34 2.336 -7.272 3.694 254 2HH1 ARG 34 2HH1 ARG 34 1.381 -7.542 5.114 255 1HH2 ARG 34 1HH2 ARG 34 4.113 -7.878 7.263 256 2HH2 ARG 34 2HH2 ARG 34 2.385 -7.883 7.129 257 H GLY 35 H GLY 35 7.874 -9.617 -1.137 258 1HA GLY 35 1HA GLY 35 7.312 -11.376 -2.675 259 2HA GLY 35 2HA GLY 35 5.762 -11.537 -1.867 260 H ASN 36 H ASN 36 4.742 -11.415 -3.921 261 HA ASN 36 HA ASN 36 3.810 -8.838 -4.581 262 1HB ASN 36 1HB ASN 36 4.722 -8.665 -6.883 263 2HB ASN 36 2HB ASN 36 5.981 -8.556 -5.656 264 1HD2 ASN 36 2HD2 ASN 36 7.415 -10.274 -5.387 265 2HD2 ASN 36 1HD2 ASN 36 7.627 -11.484 -6.601 266 HA PRO 37 HA PRO 37 0.879 -11.807 -6.233 267 1HB PRO 37 1HB PRO 37 -1.253 -10.249 -6.453 268 2HB PRO 37 2HB PRO 37 -0.566 -10.618 -4.866 269 1HG PRO 37 1HG PRO 37 -0.327 -8.134 -6.504 270 2HG PRO 37 2HG PRO 37 -0.498 -8.309 -4.749 271 1HD PRO 37 1HD PRO 37 1.903 -7.901 -6.136 272 2HD PRO 37 2HD PRO 37 1.751 -8.448 -4.457 273 H PHE 38 H PHE 38 2.686 -10.185 -8.155 274 HA PHE 38 HA PHE 38 0.851 -10.152 -10.466 275 1HB PHE 38 1HB PHE 38 3.424 -8.670 -9.936 276 2HB PHE 38 2HB PHE 38 2.728 -8.794 -11.549 277 HD1 PHE 38 HD1 PHE 38 2.068 -7.592 -8.114 278 HD2 PHE 38 HD2 PHE 38 0.983 -7.375 -12.225 279 HE1 PHE 38 HE1 PHE 38 0.623 -5.661 -7.628 280 HE2 PHE 38 HE2 PHE 38 -0.462 -5.440 -11.744 281 HZ PHE 38 HZ PHE 38 -0.643 -4.583 -9.443 282 H ARG 39 H ARG 39 4.262 -10.888 -9.681 283 HA ARG 39 HA ARG 39 4.181 -13.007 -11.735 284 1HB ARG 39 1HB ARG 39 6.432 -11.251 -10.773 285 2HB ARG 39 2HB ARG 39 6.736 -12.748 -11.645 286 1HG ARG 39 1HG ARG 39 4.922 -10.644 -12.765 287 2HG ARG 39 2HG ARG 39 6.671 -10.548 -12.963 288 1HD ARG 39 1HD ARG 39 6.372 -11.798 -14.794 289 2HD ARG 39 2HD ARG 39 6.116 -13.146 -13.688 290 HE ARG 39 HE ARG 39 3.743 -11.610 -14.264 291 1HH1 ARG 39 1HH1 ARG 39 5.720 -14.337 -15.266 292 2HH1 ARG 39 2HH1 ARG 39 4.422 -15.111 -16.112 293 1HH2 ARG 39 1HH2 ARG 39 2.062 -12.646 -15.381 294 2HH2 ARG 39 2HH2 ARG 39 2.356 -14.156 -16.178 295 HA PRO 40 HA PRO 40 4.894 -15.696 -8.234 296 1HB PRO 40 1HB PRO 40 4.869 -18.062 -9.468 297 2HB PRO 40 2HB PRO 40 3.411 -17.074 -9.336 298 1HG PRO 40 1HG PRO 40 5.196 -17.514 -11.676 299 2HG PRO 40 2HG PRO 40 3.440 -17.284 -11.626 300 1HD PRO 40 1HD PRO 40 5.355 -15.322 -12.233 301 2HD PRO 40 2HD PRO 40 3.649 -15.037 -11.848 302 H ASP 41 H ASP 41 6.851 -16.472 -11.136 303 HA ASP 41 HA ASP 41 8.997 -17.424 -9.398 304 1HB ASP 41 1HB ASP 41 8.110 -18.631 -11.516 305 2HB ASP 41 2HB ASP 41 9.102 -17.469 -12.395 306 H ASP 42 H ASP 42 8.195 -14.513 -11.010 307 HA ASP 42 HA ASP 42 10.992 -13.746 -11.370 308 1HB ASP 42 1HB ASP 42 9.028 -13.210 -13.013 309 2HB ASP 42 2HB ASP 42 8.666 -11.914 -11.877 310 H ASP 43 H ASP 43 12.045 -12.913 -9.697 311 HA ASP 43 HA ASP 43 10.518 -11.571 -7.580 312 1HB ASP 43 1HB ASP 43 12.615 -11.908 -6.228 313 2HB ASP 43 2HB ASP 43 11.839 -13.398 -6.758 314 H GLY 44 H GLY 44 10.463 -9.780 -9.335 315 1HA GLY 44 1HA GLY 44 12.844 -8.046 -9.015 316 2HA GLY 44 2HA GLY 44 11.800 -8.026 -10.428 317 H ILE 45 H ILE 45 11.708 -5.700 -9.980 318 HA ILE 45 HA ILE 45 9.865 -5.018 -7.781 319 HB ILE 45 HB ILE 45 11.452 -3.016 -9.383 320 1HG1 ILE 45 1HG1 ILE 45 13.050 -4.582 -8.344 321 2HG1 ILE 45 2HG1 ILE 45 13.126 -2.990 -7.596 322 1HG2 ILE 45 1HG2 ILE 45 9.469 -2.305 -8.027 323 2HG2 ILE 45 2HG2 ILE 45 10.351 -2.823 -6.589 324 3HG2 ILE 45 3HG2 ILE 45 10.989 -1.521 -7.594 325 1HD1 ILE 45 1HD1 ILE 45 11.321 -4.237 -6.005 326 2HD1 ILE 45 2HD1 ILE 45 12.380 -5.573 -6.457 327 3HD1 ILE 45 3HD1 ILE 45 13.052 -4.137 -5.685 328 H PHE 46 H PHE 46 7.855 -4.286 -8.241 329 HA PHE 46 HA PHE 46 7.271 -3.504 -11.024 330 1HB PHE 46 1HB PHE 46 5.441 -5.159 -9.265 331 2HB PHE 46 2HB PHE 46 5.173 -4.712 -10.948 332 HD1 PHE 46 HD1 PHE 46 7.572 -6.558 -8.780 333 HD2 PHE 46 HD2 PHE 46 5.799 -6.167 -12.631 334 HE1 PHE 46 HE1 PHE 46 8.696 -8.624 -9.504 335 HE2 PHE 46 HE2 PHE 46 6.919 -8.233 -13.359 336 HZ PHE 46 HZ PHE 46 8.370 -9.463 -11.796 337 H VAL 47 H VAL 47 5.606 -1.975 -11.309 338 HA VAL 47 HA VAL 47 5.143 -0.300 -8.954 339 HB VAL 47 HB VAL 47 4.572 0.373 -11.846 340 1HG1 VAL 47 1HG1 VAL 47 3.368 1.736 -10.208 341 2HG1 VAL 47 2HG1 VAL 47 4.894 2.139 -9.422 342 3HG1 VAL 47 3HG1 VAL 47 4.582 2.681 -11.071 343 1HG2 VAL 47 1HG2 VAL 47 6.972 -0.160 -11.428 344 2HG2 VAL 47 2HG2 VAL 47 6.684 1.504 -11.938 345 3HG2 VAL 47 3HG2 VAL 47 7.006 1.144 -10.242 346 H THR 48 H THR 48 3.566 -1.924 -8.181 347 HA THR 48 HA THR 48 1.292 -2.895 -9.164 348 HB THR 48 HB THR 48 1.852 -3.255 -6.880 349 HG1 THR 48 HG1 THR 48 -0.307 -3.519 -7.153 350 1HG2 THR 48 1HG2 THR 48 0.989 -0.481 -6.154 351 2HG2 THR 48 2HG2 THR 48 1.805 -1.682 -5.154 352 3HG2 THR 48 3HG2 THR 48 2.675 -0.890 -6.467 353 H ARG 49 H ARG 49 1.307 0.492 -7.887 354 HA ARG 49 HA ARG 49 -0.636 1.238 -9.879 355 1HB ARG 49 1HB ARG 49 -2.368 1.981 -8.291 356 2HB ARG 49 2HB ARG 49 -2.137 0.238 -8.268 357 1HG ARG 49 1HG ARG 49 -1.200 0.251 -6.169 358 2HG ARG 49 2HG ARG 49 -0.681 1.934 -6.294 359 1HD ARG 49 1HD ARG 49 -2.686 2.745 -5.623 360 2HD ARG 49 2HD ARG 49 -3.594 1.455 -6.409 361 HE ARG 49 HE ARG 49 -2.586 1.485 -3.699 362 1HH1 ARG 49 1HH1 ARG 49 -3.802 -0.533 -6.307 363 2HH1 ARG 49 2HH1 ARG 49 -4.295 -1.808 -5.244 364 1HH2 ARG 49 1HH2 ARG 49 -3.239 -0.203 -2.329 365 2HH2 ARG 49 2HH2 ARG 49 -3.977 -1.621 -2.997 366 H VAL 50 H VAL 50 -1.273 3.534 -9.732 367 HA VAL 50 HA VAL 50 0.844 5.173 -8.479 368 HB VAL 50 HB VAL 50 -0.584 5.949 -11.023 369 1HG1 VAL 50 1HG1 VAL 50 0.526 7.729 -9.773 370 2HG1 VAL 50 2HG1 VAL 50 2.041 6.828 -9.833 371 3HG1 VAL 50 3HG1 VAL 50 1.318 7.438 -11.321 372 1HG2 VAL 50 1HG2 VAL 50 2.040 4.466 -10.820 373 2HG2 VAL 50 2HG2 VAL 50 0.540 3.845 -11.508 374 3HG2 VAL 50 3HG2 VAL 50 1.381 5.182 -12.291 375 H GLN 51 H GLN 51 0.206 7.350 -7.828 376 HA GLN 51 HA GLN 51 -2.662 7.494 -7.186 377 1HB GLN 51 1HB GLN 51 -0.204 8.364 -5.771 378 2HB GLN 51 2HB GLN 51 -1.623 9.386 -5.592 379 1HG GLN 51 1HG GLN 51 -2.080 6.504 -5.229 380 2HG GLN 51 2HG GLN 51 -1.064 7.280 -4.015 381 1HE2 GLN 51 2HE2 GLN 51 -4.204 6.659 -5.013 382 2HE2 GLN 51 1HE2 GLN 51 -5.033 7.735 -3.946 383 HA PRO 52 HA PRO 52 -2.049 11.892 -8.831 384 1HB PRO 52 1HB PRO 52 0.337 13.010 -9.231 385 2HB PRO 52 2HB PRO 52 -0.336 12.862 -7.601 386 1HG PRO 52 1HG PRO 52 1.700 11.140 -8.967 387 2HG PRO 52 2HG PRO 52 1.720 11.794 -7.320 388 1HD PRO 52 1HD PRO 52 0.939 9.242 -7.929 389 2HD PRO 52 2HD PRO 52 0.351 10.143 -6.518 390 H GLU 53 H GLU 53 -2.754 11.829 -10.877 391 HA GLU 53 HA GLU 53 -1.398 10.323 -12.904 392 1HB GLU 53 1HB GLU 53 -3.817 12.131 -13.040 393 2HB GLU 53 2HB GLU 53 -3.244 11.134 -14.372 394 1HG GLU 53 1HG GLU 53 -3.662 9.126 -13.109 395 2HG GLU 53 2HG GLU 53 -4.107 10.074 -11.691 396 H GLY 54 H GLY 54 0.631 11.693 -12.602 397 1HA GLY 54 1HA GLY 54 0.826 13.503 -14.827 398 2HA GLY 54 2HA GLY 54 0.948 14.321 -13.280 399 HA PRO 55 HA PRO 55 5.238 13.432 -12.829 400 1HB PRO 55 1HB PRO 55 5.518 11.795 -10.610 401 2HB PRO 55 2HB PRO 55 5.345 13.551 -10.564 402 1HG PRO 55 1HG PRO 55 3.279 11.431 -10.167 403 2HG PRO 55 2HG PRO 55 3.508 12.955 -9.290 404 1HD PRO 55 1HD PRO 55 1.604 12.699 -11.150 405 2HD PRO 55 2HD PRO 55 2.512 14.213 -10.966 406 H ALA 56 H ALA 56 4.156 10.278 -11.556 407 HA ALA 56 HA ALA 56 5.867 9.002 -13.564 408 1HB ALA 56 1HB ALA 56 6.001 8.655 -10.983 409 2HB ALA 56 2HB ALA 56 4.689 7.510 -11.267 410 3HB ALA 56 3HB ALA 56 6.240 7.296 -12.079 411 H SER 57 H SER 57 2.523 9.479 -13.002 412 HA SER 57 HA SER 57 1.603 6.942 -13.961 413 1HB SER 57 1HB SER 57 0.346 8.716 -12.532 414 2HB SER 57 2HB SER 57 -0.045 9.446 -14.090 415 HG SER 57 HG SER 57 -1.640 7.947 -13.397 416 H LYS 58 H LYS 58 2.555 9.920 -15.508 417 HA LYS 58 HA LYS 58 1.230 9.370 -17.989 418 1HB LYS 58 1HB LYS 58 2.060 11.643 -16.997 419 2HB LYS 58 2HB LYS 58 3.586 11.204 -17.754 420 1HG LYS 58 1HG LYS 58 2.703 12.339 -19.487 421 2HG LYS 58 2HG LYS 58 1.949 10.780 -19.824 422 1HD LYS 58 1HD LYS 58 0.170 12.278 -19.957 423 2HD LYS 58 2HD LYS 58 0.034 11.630 -18.322 424 1HE LYS 58 1HE LYS 58 1.355 13.629 -17.543 425 2HE LYS 58 2HE LYS 58 1.165 14.291 -19.166 426 1HZ LYS 58 1HZ LYS 58 -1.064 13.557 -17.344 427 2HZ LYS 58 2HZ LYS 58 -0.518 15.130 -17.635 428 3HZ LYS 58 3HZ LYS 58 -1.224 14.236 -18.885 429 H LEU 59 H LEU 59 4.244 8.354 -16.569 430 HA LEU 59 HA LEU 59 5.081 7.290 -19.194 431 1HB LEU 59 1HB LEU 59 6.776 8.293 -16.919 432 2HB LEU 59 2HB LEU 59 7.412 7.465 -18.329 433 HG LEU 59 HG LEU 59 5.795 9.992 -18.565 434 1HD1 LEU 59 1HD1 LEU 59 7.770 10.364 -17.106 435 2HD1 LEU 59 2HD1 LEU 59 8.799 9.800 -18.423 436 3HD1 LEU 59 3HD1 LEU 59 7.830 11.260 -18.624 437 1HD2 LEU 59 1HD2 LEU 59 6.072 8.577 -20.568 438 2HD2 LEU 59 2HD2 LEU 59 6.856 10.148 -20.731 439 3HD2 LEU 59 3HD2 LEU 59 7.822 8.711 -20.395 440 H LEU 60 H LEU 60 3.755 6.167 -16.421 441 HA LEU 60 HA LEU 60 5.192 3.612 -16.682 442 1HB LEU 60 1HB LEU 60 4.459 4.897 -14.051 443 2HB LEU 60 2HB LEU 60 5.058 3.260 -14.237 444 HG LEU 60 HG LEU 60 6.608 5.724 -15.027 445 1HD1 LEU 60 1HD1 LEU 60 6.074 5.316 -12.517 446 2HD1 LEU 60 2HD1 LEU 60 7.246 4.006 -12.665 447 3HD1 LEU 60 3HD1 LEU 60 7.731 5.667 -13.008 448 1HD2 LEU 60 1HD2 LEU 60 7.206 3.699 -16.259 449 2HD2 LEU 60 2HD2 LEU 60 8.492 4.183 -15.153 450 3HD2 LEU 60 3HD2 LEU 60 7.431 2.837 -14.736 451 H GLN 61 H GLN 61 4.013 1.758 -16.248 452 HA GLN 61 HA GLN 61 1.099 2.138 -16.280 453 1HB GLN 61 1HB GLN 61 2.723 -0.279 -17.104 454 2HB GLN 61 2HB GLN 61 0.979 -0.108 -17.258 455 1HG GLN 61 1HG GLN 61 1.777 2.073 -18.608 456 2HG GLN 61 2HG GLN 61 3.147 1.004 -18.909 457 1HE2 GLN 61 2HE2 GLN 61 2.356 -1.335 -19.424 458 2HE2 GLN 61 1HE2 GLN 61 1.130 -1.428 -20.638 459 HA PRO 62 HA PRO 62 0.865 0.481 -12.140 460 1HB PRO 62 1HB PRO 62 -1.775 -0.654 -12.852 461 2HB PRO 62 2HB PRO 62 -1.355 0.530 -11.613 462 1HG PRO 62 1HG PRO 62 -2.656 1.244 -13.831 463 2HG PRO 62 2HG PRO 62 -1.439 2.302 -13.091 464 1HD PRO 62 1HD PRO 62 -1.192 0.510 -15.479 465 2HD PRO 62 2HD PRO 62 -0.586 2.159 -15.238 466 H GLY 63 H GLY 63 2.562 -1.138 -13.040 467 1HA GLY 63 1HA GLY 63 2.623 -3.502 -11.980 468 2HA GLY 63 2HA GLY 63 1.445 -3.853 -13.234 469 H ASP 64 H ASP 64 4.368 -1.836 -13.508 470 HA ASP 64 HA ASP 64 5.217 -3.529 -15.729 471 1HB ASP 64 1HB ASP 64 5.088 -0.792 -15.439 472 2HB ASP 64 2HB ASP 64 6.797 -1.118 -15.169 473 H LYS 65 H LYS 65 7.989 -2.863 -15.656 474 HA LYS 65 HA LYS 65 8.942 -3.981 -13.121 475 1HB LYS 65 1HB LYS 65 8.599 -5.794 -14.870 476 2HB LYS 65 2HB LYS 65 9.887 -5.030 -15.786 477 1HG LYS 65 1HG LYS 65 11.491 -5.512 -14.117 478 2HG LYS 65 2HG LYS 65 10.244 -5.972 -12.956 479 1HD LYS 65 1HD LYS 65 9.768 -7.972 -14.095 480 2HD LYS 65 2HD LYS 65 10.600 -7.436 -15.556 481 1HE LYS 65 1HE LYS 65 12.147 -7.699 -13.022 482 2HE LYS 65 2HE LYS 65 11.717 -9.158 -13.914 483 1HZ LYS 65 1HZ LYS 65 12.726 -8.015 -15.908 484 2HZ LYS 65 2HZ LYS 65 13.375 -6.884 -14.830 485 3HZ LYS 65 3HZ LYS 65 13.809 -8.514 -14.709 486 H ILE 66 H ILE 66 10.544 -2.766 -12.353 487 HA ILE 66 HA ILE 66 11.899 -0.881 -14.113 488 HB ILE 66 HB ILE 66 12.161 -1.196 -11.111 489 1HG1 ILE 66 1HG1 ILE 66 10.726 0.997 -11.270 490 2HG1 ILE 66 2HG1 ILE 66 10.245 0.340 -12.830 491 1HG2 ILE 66 1HG2 ILE 66 12.959 1.054 -12.959 492 2HG2 ILE 66 2HG2 ILE 66 13.023 1.115 -11.197 493 3HG2 ILE 66 3HG2 ILE 66 14.047 -0.018 -12.079 494 1HD1 ILE 66 1HD1 ILE 66 10.061 -1.419 -10.448 495 2HD1 ILE 66 2HD1 ILE 66 8.866 -0.138 -10.651 496 3HD1 ILE 66 3HD1 ILE 66 9.062 -1.367 -11.900 497 H ILE 67 H ILE 67 13.794 -1.321 -15.024 498 HA ILE 67 HA ILE 67 15.324 -3.628 -14.108 499 HB ILE 67 HB ILE 67 15.945 -1.915 -16.509 500 1HG1 ILE 67 1HG1 ILE 67 13.633 -2.683 -16.736 501 2HG1 ILE 67 2HG1 ILE 67 14.673 -3.552 -17.859 502 1HG2 ILE 67 1HG2 ILE 67 17.714 -3.416 -15.776 503 2HG2 ILE 67 2HG2 ILE 67 16.597 -4.780 -15.835 504 3HG2 ILE 67 3HG2 ILE 67 17.044 -3.942 -17.321 505 1HD1 ILE 67 1HD1 ILE 67 14.042 -4.730 -15.193 506 2HD1 ILE 67 2HD1 ILE 67 12.880 -4.836 -16.513 507 3HD1 ILE 67 3HD1 ILE 67 14.489 -5.534 -16.697 508 H GLN 68 H GLN 68 15.821 -0.120 -14.552 509 HA GLN 68 HA GLN 68 18.054 -0.261 -12.685 510 1HB GLN 68 1HB GLN 68 18.350 0.196 -15.588 511 2HB GLN 68 2HB GLN 68 19.216 1.340 -14.570 512 1HG GLN 68 1HG GLN 68 20.483 -0.371 -13.559 513 2HG GLN 68 2HG GLN 68 19.444 -1.633 -14.219 514 1HE2 GLN 68 2HE2 GLN 68 20.956 1.197 -15.721 515 2HE2 GLN 68 1HE2 GLN 68 21.830 0.311 -16.920 516 H ALA 69 H ALA 69 18.632 1.714 -11.751 517 HA ALA 69 HA ALA 69 16.960 4.044 -12.384 518 1HB ALA 69 1HB ALA 69 15.915 2.748 -10.530 519 2HB ALA 69 2HB ALA 69 17.360 3.057 -9.567 520 3HB ALA 69 3HB ALA 69 16.353 4.402 -10.100 521 H ASN 70 H ASN 70 18.162 5.807 -12.609 522 HA ASN 70 HA ASN 70 20.031 7.147 -12.706 523 1HB ASN 70 1HB ASN 70 19.489 6.667 -9.794 524 2HB ASN 70 2HB ASN 70 20.758 7.775 -10.308 525 1HD2 ASN 70 2HD2 ASN 70 17.723 7.706 -9.265 526 2HD2 ASN 70 1HD2 ASN 70 17.074 9.096 -10.060 527 H GLY 71 H GLY 71 20.827 4.362 -13.068 528 1HA GLY 71 1HA GLY 71 23.050 3.649 -13.544 529 2HA GLY 71 2HA GLY 71 23.627 4.657 -12.228 530 H TYR 72 H TYR 72 21.333 3.468 -10.537 531 HA TYR 72 HA TYR 72 22.895 1.210 -9.588 532 1HB TYR 72 1HB TYR 72 20.600 2.806 -8.491 533 2HB TYR 72 2HB TYR 72 20.986 1.233 -7.802 534 HD1 TYR 72 HD1 TYR 72 22.239 4.659 -8.349 535 HD2 TYR 72 HD2 TYR 72 22.900 0.935 -6.399 536 HE1 TYR 72 HE1 TYR 72 23.956 5.709 -6.936 537 HE2 TYR 72 HE2 TYR 72 24.617 1.976 -4.981 538 HH TYR 72 HH TYR 72 25.026 4.558 -4.178 539 H SER 73 H SER 73 22.500 -0.782 -10.243 540 HA SER 73 HA SER 73 20.314 -1.486 -11.892 541 1HB SER 73 1HB SER 73 22.515 -2.605 -11.969 542 2HB SER 73 2HB SER 73 22.216 -3.284 -10.370 543 HG SER 73 HG SER 73 21.355 -4.855 -11.460 544 H PHE 74 H PHE 74 18.272 -1.964 -11.335 545 HA PHE 74 HA PHE 74 17.679 -2.538 -8.533 546 1HB PHE 74 1HB PHE 74 16.262 -1.269 -10.781 547 2HB PHE 74 2HB PHE 74 15.243 -2.258 -9.740 548 HD1 PHE 74 HD1 PHE 74 18.082 0.106 -9.173 549 HD2 PHE 74 HD2 PHE 74 14.087 -1.011 -8.223 550 HE1 PHE 74 HE1 PHE 74 17.958 1.950 -7.548 551 HE2 PHE 74 HE2 PHE 74 13.956 0.832 -6.597 552 HZ PHE 74 HZ PHE 74 15.892 2.314 -6.258 553 H ILE 75 H ILE 75 18.451 -4.532 -10.995 554 HA ILE 75 HA ILE 75 16.201 -6.348 -10.802 555 HB ILE 75 HB ILE 75 17.399 -6.127 -12.948 556 1HG1 ILE 75 1HG1 ILE 75 17.840 -8.643 -13.275 557 2HG1 ILE 75 2HG1 ILE 75 17.384 -8.811 -11.583 558 1HG2 ILE 75 1HG2 ILE 75 19.658 -5.783 -12.000 559 2HG2 ILE 75 2HG2 ILE 75 19.715 -7.497 -11.596 560 3HG2 ILE 75 3HG2 ILE 75 19.614 -6.992 -13.282 561 1HD1 ILE 75 1HD1 ILE 75 15.212 -7.761 -12.112 562 2HD1 ILE 75 2HD1 ILE 75 15.677 -7.737 -13.813 563 3HD1 ILE 75 3HD1 ILE 75 15.489 -9.275 -12.972 564 H ASN 76 H ASN 76 15.961 -7.779 -9.233 565 HA ASN 76 HA ASN 76 16.373 -9.210 -7.518 566 1HB ASN 76 1HB ASN 76 19.125 -9.447 -8.771 567 2HB ASN 76 2HB ASN 76 18.432 -10.554 -7.588 568 1HD2 ASN 76 2HD2 ASN 76 19.321 -10.752 -10.489 569 2HD2 ASN 76 1HD2 ASN 76 18.004 -11.554 -11.269 570 H ILE 77 H ILE 77 16.185 -7.278 -6.195 571 HA ILE 77 HA ILE 77 18.565 -6.937 -4.546 572 HB ILE 77 HB ILE 77 18.163 -4.469 -4.403 573 1HG1 ILE 77 1HG1 ILE 77 16.660 -4.760 -6.997 574 2HG1 ILE 77 2HG1 ILE 77 15.820 -4.720 -5.449 575 1HG2 ILE 77 1HG2 ILE 77 19.982 -5.461 -5.738 576 2HG2 ILE 77 2HG2 ILE 77 18.916 -5.478 -7.143 577 3HG2 ILE 77 3HG2 ILE 77 19.395 -3.943 -6.417 578 1HD1 ILE 77 1HD1 ILE 77 17.680 -2.566 -6.413 579 2HD1 ILE 77 2HD1 ILE 77 15.929 -2.535 -6.612 580 3HD1 ILE 77 3HD1 ILE 77 16.633 -2.522 -4.994 581 H GLU 78 H GLU 78 18.094 -6.212 -2.403 582 HA GLU 78 HA GLU 78 15.686 -7.243 -1.360 583 1HB GLU 78 1HB GLU 78 17.644 -5.366 -0.029 584 2HB GLU 78 2HB GLU 78 16.456 -6.376 0.785 585 1HG GLU 78 1HG GLU 78 17.662 -8.277 0.500 586 2HG GLU 78 2HG GLU 78 18.388 -7.723 -1.007 587 H HIS 79 H HIS 79 13.945 -6.199 -0.341 588 HA HIS 79 HA HIS 79 12.765 -4.107 -1.727 589 1HB HIS 79 1HB HIS 79 11.688 -5.779 -0.125 590 2HB HIS 79 2HB HIS 79 12.165 -4.687 1.171 591 HD1 HIS 79 HD1 HIS 79 9.642 -5.167 -1.481 592 HD2 HIS 79 HD2 HIS 79 10.829 -2.157 1.127 593 HE1 HIS 79 HE1 HIS 79 7.783 -3.473 -1.516 594 HE2 HIS 79 HE2 HIS 79 8.565 -1.619 -0.001 595 H GLY 80 H GLY 80 14.256 -3.891 1.524 596 1HA GLY 80 1HA GLY 80 13.956 -1.154 1.903 597 2HA GLY 80 2HA GLY 80 15.223 -2.124 2.629 598 H GLN 81 H GLN 81 16.233 -2.815 -0.133 599 HA GLN 81 HA GLN 81 18.068 -0.628 -0.355 600 1HB GLN 81 1HB GLN 81 18.060 -3.351 -1.036 601 2HB GLN 81 2HB GLN 81 18.162 -2.509 -2.576 602 1HG GLN 81 1HG GLN 81 20.364 -2.636 -2.111 603 2HG GLN 81 2HG GLN 81 20.010 -1.134 -1.258 604 1HE2 GLN 81 2HE2 GLN 81 18.973 -1.779 1.043 605 2HE2 GLN 81 1HE2 GLN 81 20.000 -2.817 1.967 606 H ALA 82 H ALA 82 15.364 -1.876 -2.240 607 HA ALA 82 HA ALA 82 15.694 -0.080 -4.426 608 1HB ALA 82 1HB ALA 82 14.563 -2.215 -4.691 609 2HB ALA 82 2HB ALA 82 13.285 -1.687 -3.597 610 3HB ALA 82 3HB ALA 82 13.504 -0.881 -5.151 611 H VAL 83 H VAL 83 13.781 0.027 -1.435 612 HA VAL 83 HA VAL 83 12.283 2.337 -2.238 613 HB VAL 83 HB VAL 83 12.701 1.294 0.570 614 1HG1 VAL 83 1HG1 VAL 83 11.708 3.590 0.258 615 2HG1 VAL 83 2HG1 VAL 83 10.348 2.805 -0.542 616 3HG1 VAL 83 3HG1 VAL 83 10.706 2.442 1.146 617 1HG2 VAL 83 1HG2 VAL 83 11.842 -0.398 -1.144 618 2HG2 VAL 83 2HG2 VAL 83 10.878 -0.159 0.313 619 3HG2 VAL 83 3HG2 VAL 83 10.383 0.590 -1.204 620 H SER 84 H SER 84 15.052 1.764 -0.087 621 HA SER 84 HA SER 84 15.370 4.410 0.794 622 1HB SER 84 1HB SER 84 17.326 2.122 0.538 623 2HB SER 84 2HB SER 84 17.765 3.675 1.249 624 HG SER 84 HG SER 84 17.022 2.001 2.747 625 H LEU 85 H LEU 85 16.529 2.746 -2.076 626 HA LEU 85 HA LEU 85 18.330 4.787 -2.914 627 1HB LEU 85 1HB LEU 85 17.094 2.376 -4.177 628 2HB LEU 85 2HB LEU 85 17.870 3.562 -5.211 629 HG LEU 85 HG LEU 85 19.189 2.076 -2.937 630 1HD1 LEU 85 1HD1 LEU 85 18.730 0.659 -4.873 631 2HD1 LEU 85 2HD1 LEU 85 19.528 1.830 -5.923 632 3HD1 LEU 85 3HD1 LEU 85 20.458 0.966 -4.699 633 1HD2 LEU 85 1HD2 LEU 85 20.166 4.206 -4.818 634 2HD2 LEU 85 2HD2 LEU 85 20.247 4.171 -3.057 635 3HD2 LEU 85 3HD2 LEU 85 21.265 3.089 -4.008 636 H LEU 86 H LEU 86 14.975 3.990 -3.749 637 HA LEU 86 HA LEU 86 14.701 6.007 -5.707 638 1HB LEU 86 1HB LEU 86 12.859 4.203 -4.229 639 2HB LEU 86 2HB LEU 86 12.157 5.593 -5.038 640 HG LEU 86 HG LEU 86 13.860 3.493 -6.382 641 1HD1 LEU 86 1HD1 LEU 86 11.700 2.602 -5.668 642 2HD1 LEU 86 2HD1 LEU 86 10.879 3.933 -6.483 643 3HD1 LEU 86 3HD1 LEU 86 11.789 2.749 -7.423 644 1HD2 LEU 86 1HD2 LEU 86 12.426 5.938 -7.384 645 2HD2 LEU 86 2HD2 LEU 86 14.127 5.509 -7.573 646 3HD2 LEU 86 3HD2 LEU 86 12.887 4.609 -8.446 647 H LYS 87 H LYS 87 14.263 6.031 -2.225 648 HA LYS 87 HA LYS 87 12.903 8.580 -2.252 649 1HB LYS 87 1HB LYS 87 13.867 6.744 -0.085 650 2HB LYS 87 2HB LYS 87 13.295 8.365 0.289 651 1HG LYS 87 1HG LYS 87 11.255 7.516 -1.226 652 2HG LYS 87 2HG LYS 87 11.799 5.970 -0.570 653 1HD LYS 87 1HD LYS 87 11.483 8.261 1.302 654 2HD LYS 87 2HD LYS 87 10.024 7.475 0.694 655 1HE LYS 87 1HE LYS 87 11.018 5.289 1.431 656 2HE LYS 87 2HE LYS 87 12.293 6.214 2.222 657 1HZ LYS 87 1HZ LYS 87 9.402 6.554 2.799 658 2HZ LYS 87 2HZ LYS 87 10.436 5.570 3.706 659 3HZ LYS 87 3HZ LYS 87 10.698 7.240 3.643 660 H THR 88 H THR 88 16.176 7.412 -1.593 661 HA THR 88 HA THR 88 17.117 9.889 -0.552 662 HB THR 88 HB THR 88 18.207 7.763 -0.015 663 HG1 THR 88 HG1 THR 88 19.907 9.504 -1.471 664 1HG2 THR 88 1HG2 THR 88 19.461 7.707 -2.722 665 2HG2 THR 88 2HG2 THR 88 19.390 6.445 -1.494 666 3HG2 THR 88 3HG2 THR 88 17.945 6.861 -2.417 667 H PHE 89 H PHE 89 16.712 8.685 -3.805 668 HA PHE 89 HA PHE 89 18.624 10.028 -5.246 669 1HB PHE 89 1HB PHE 89 15.763 9.393 -5.895 670 2HB PHE 89 2HB PHE 89 16.780 10.237 -7.052 671 HD1 PHE 89 HD1 PHE 89 19.383 8.751 -6.560 672 HD2 PHE 89 HD2 PHE 89 15.366 7.402 -6.980 673 HE1 PHE 89 HE1 PHE 89 20.200 6.582 -7.364 674 HE2 PHE 89 HE2 PHE 89 16.182 5.231 -7.791 675 HZ PHE 89 HZ PHE 89 18.600 4.817 -7.982 676 H GLN 90 H GLN 90 18.017 11.885 -6.879 677 HA GLN 90 HA GLN 90 17.620 14.242 -5.261 678 1HB GLN 90 1HB GLN 90 18.212 13.964 -8.218 679 2HB GLN 90 2HB GLN 90 18.368 15.433 -7.265 680 1HG GLN 90 1HG GLN 90 19.898 12.973 -6.530 681 2HG GLN 90 2HG GLN 90 20.474 14.046 -7.804 682 1HE2 GLN 90 2HE2 GLN 90 20.899 13.341 -4.696 683 2HE2 GLN 90 1HE2 GLN 90 21.362 14.884 -4.074 684 H ASN 91 H ASN 91 16.453 15.729 -7.759 685 HA ASN 91 HA ASN 91 13.712 15.410 -6.966 686 1HB ASN 91 1HB ASN 91 15.037 17.136 -9.065 687 2HB ASN 91 2HB ASN 91 13.312 17.183 -8.712 688 1HD2 ASN 91 2HD2 ASN 91 15.866 18.945 -8.294 689 2HD2 ASN 91 1HD2 ASN 91 15.620 19.571 -6.703 690 H THR 92 H THR 92 15.235 15.314 -10.196 691 HA THR 92 HA THR 92 13.045 13.720 -11.217 692 HB THR 92 HB THR 92 14.816 13.783 -13.269 693 HG1 THR 92 HG1 THR 92 16.415 14.989 -12.594 694 1HG2 THR 92 1HG2 THR 92 13.739 15.845 -14.050 695 2HG2 THR 92 2HG2 THR 92 12.578 14.661 -13.447 696 3HG2 THR 92 3HG2 THR 92 13.016 16.051 -12.455 697 H VAL 93 H VAL 93 13.122 11.587 -11.804 698 HA VAL 93 HA VAL 93 15.597 10.114 -11.153 699 HB VAL 93 HB VAL 93 12.805 9.044 -10.724 700 1HG1 VAL 93 1HG1 VAL 93 14.699 7.437 -11.107 701 2HG1 VAL 93 2HG1 VAL 93 15.417 8.044 -9.615 702 3HG1 VAL 93 3HG1 VAL 93 13.845 7.246 -9.575 703 1HG2 VAL 93 1HG2 VAL 93 13.301 10.981 -9.232 704 2HG2 VAL 93 2HG2 VAL 93 13.047 9.461 -8.374 705 3HG2 VAL 93 3HG2 VAL 93 14.682 10.081 -8.603 706 H GLU 94 H GLU 94 16.408 9.081 -12.847 707 HA GLU 94 HA GLU 94 14.743 8.587 -15.184 708 1HB GLU 94 1HB GLU 94 17.635 8.845 -14.643 709 2HB GLU 94 2HB GLU 94 17.222 7.632 -15.847 710 1HG GLU 94 1HG GLU 94 15.878 10.228 -16.155 711 2HG GLU 94 2HG GLU 94 17.625 10.235 -16.394 712 H LEU 95 H LEU 95 13.547 6.773 -15.068 713 HA LEU 95 HA LEU 95 14.754 4.368 -13.873 714 1HB LEU 95 1HB LEU 95 11.845 4.942 -14.432 715 2HB LEU 95 2HB LEU 95 12.484 3.549 -13.580 716 HG LEU 95 HG LEU 95 12.959 6.327 -12.549 717 1HD1 LEU 95 1HD1 LEU 95 10.528 6.027 -12.895 718 2HD1 LEU 95 2HD1 LEU 95 10.593 4.583 -11.884 719 3HD1 LEU 95 3HD1 LEU 95 10.975 6.160 -11.195 720 1HD2 LEU 95 1HD2 LEU 95 14.274 4.470 -11.627 721 2HD2 LEU 95 2HD2 LEU 95 13.184 5.168 -10.428 722 3HD2 LEU 95 3HD2 LEU 95 12.780 3.636 -11.201 723 H ILE 96 H ILE 96 14.724 2.416 -14.923 724 HA ILE 96 HA ILE 96 14.135 2.514 -17.811 725 HB ILE 96 HB ILE 96 15.867 0.431 -16.479 726 1HG1 ILE 96 1HG1 ILE 96 16.877 2.626 -16.012 727 2HG1 ILE 96 2HG1 ILE 96 17.843 1.719 -17.171 728 1HG2 ILE 96 1HG2 ILE 96 15.011 -0.110 -18.684 729 2HG2 ILE 96 2HG2 ILE 96 15.655 1.401 -19.324 730 3HG2 ILE 96 3HG2 ILE 96 16.754 0.149 -18.745 731 1HD1 ILE 96 1HD1 ILE 96 15.837 3.787 -18.007 732 2HD1 ILE 96 2HD1 ILE 96 17.520 4.172 -17.644 733 3HD1 ILE 96 3HD1 ILE 96 17.133 3.067 -18.963 734 H ILE 97 H ILE 97 12.452 1.305 -18.508 735 HA ILE 97 HA ILE 97 11.547 -0.929 -16.812 736 HB ILE 97 HB ILE 97 9.211 -0.313 -17.257 737 1HG1 ILE 97 1HG1 ILE 97 10.271 2.299 -18.349 738 2HG1 ILE 97 2HG1 ILE 97 9.761 0.969 -19.386 739 1HG2 ILE 97 1HG2 ILE 97 10.435 0.460 -15.230 740 2HG2 ILE 97 2HG2 ILE 97 10.740 1.989 -16.054 741 3HG2 ILE 97 3HG2 ILE 97 9.086 1.498 -15.692 742 1HD1 ILE 97 1HD1 ILE 97 7.647 1.335 -17.626 743 2HD1 ILE 97 2HD1 ILE 97 8.183 2.964 -18.039 744 3HD1 ILE 97 3HD1 ILE 97 7.728 1.837 -19.315 745 H VAL 98 H VAL 98 9.947 -2.362 -17.965 746 HA VAL 98 HA VAL 98 10.241 -2.463 -20.861 747 HB VAL 98 HB VAL 98 11.021 -4.868 -19.206 748 1HG1 VAL 98 1HG1 VAL 98 11.221 -4.270 -22.154 749 2HG1 VAL 98 2HG1 VAL 98 11.881 -5.703 -21.366 750 3HG1 VAL 98 3HG1 VAL 98 10.138 -5.428 -21.381 751 1HG2 VAL 98 1HG2 VAL 98 12.689 -3.104 -18.898 752 2HG2 VAL 98 2HG2 VAL 98 13.334 -4.438 -19.856 753 3HG2 VAL 98 3HG2 VAL 98 12.842 -2.941 -20.648 754 H ARG 99 H ARG 99 8.751 -3.907 -21.887 755 HA ARG 99 HA ARG 99 6.508 -4.728 -20.148 756 1HB ARG 99 1HB ARG 99 6.592 -3.323 -22.763 757 2HB ARG 99 2HB ARG 99 5.329 -4.531 -22.569 758 1HG ARG 99 1HG ARG 99 4.328 -2.542 -21.896 759 2HG ARG 99 2HG ARG 99 4.769 -3.335 -20.383 760 1HD ARG 99 1HD ARG 99 6.389 -1.811 -19.893 761 2HD ARG 99 2HD ARG 99 6.756 -1.494 -21.589 762 HE ARG 99 HE ARG 99 4.800 -0.148 -19.944 763 1HH1 ARG 99 1HH1 ARG 99 5.826 -0.821 -23.237 764 2HH1 ARG 99 2HH1 ARG 99 5.020 0.564 -23.892 765 1HH2 ARG 99 1HH2 ARG 99 3.751 1.659 -20.830 766 2HH2 ARG 99 2HH2 ARG 99 3.848 1.966 -22.531 767 H GLU 100 H GLU 100 6.377 -6.862 -19.956 768 HA GLU 100 HA GLU 100 7.788 -8.671 -21.613 769 1HB GLU 100 1HB GLU 100 5.557 -9.207 -19.644 770 2HB GLU 100 2HB GLU 100 6.622 -10.426 -20.334 771 1HG GLU 100 1HG GLU 100 8.544 -9.173 -19.311 772 2HG GLU 100 2HG GLU 100 7.351 -8.196 -18.457 773 H VAL 101 H VAL 101 7.245 -9.617 -23.463 774 HA VAL 101 HA VAL 101 4.465 -9.365 -24.407 775 HB VAL 101 HB VAL 101 5.459 -9.748 -26.694 776 1HG1 VAL 101 1HG1 VAL 101 4.912 -7.495 -25.581 777 2HG1 VAL 101 2HG1 VAL 101 6.659 -7.312 -25.430 778 3HG1 VAL 101 3HG1 VAL 101 5.927 -7.492 -27.024 779 1HG2 VAL 101 1HG2 VAL 101 7.625 -10.673 -25.562 780 2HG2 VAL 101 2HG2 VAL 101 7.726 -9.777 -27.077 781 3HG2 VAL 101 3HG2 VAL 101 8.104 -8.975 -25.553 782 H SER 102 H SER 102 3.996 -11.165 -26.141 783 HA SER 102 HA SER 102 4.174 -13.669 -24.731 784 1HB SER 102 1HB SER 102 2.969 -13.085 -27.446 785 2HB SER 102 2HB SER 102 2.700 -14.531 -26.472 786 HG SER 102 HG SER 102 1.265 -13.478 -25.363 787 H SER 103 H SER 103 5.202 -15.541 -25.385 788 HA SER 103 HA SER 103 6.784 -15.558 -27.814 789 1HB SER 103 1HB SER 103 8.894 -16.082 -26.623 790 2HB SER 103 2HB SER 103 8.312 -14.456 -26.262 791 HG SER 103 HG SER 103 7.515 -15.229 -24.296 792 1H THR 301 1H THR 301 -0.070 -2.818 7.627 793 2H THR 301 2H THR 301 0.210 -1.564 6.489 794 3H THR 301 3H THR 301 0.846 -1.441 8.078 795 HA THR 301 HA THR 301 2.543 -2.015 6.538 796 HB THR 301 HB THR 301 1.920 -4.486 8.136 797 HG1 THR 301 HG1 THR 301 1.432 -3.129 9.691 798 1HG2 THR 301 1HG2 THR 301 4.457 -2.913 8.196 799 2HG2 THR 301 2HG2 THR 301 4.184 -4.616 8.566 800 3HG2 THR 301 3HG2 THR 301 4.135 -4.058 6.893 801 H GLY 302 H GLY 302 1.198 -2.149 4.486 802 1HA GLY 302 1HA GLY 302 0.415 -4.809 3.647 803 2HA GLY 302 2HA GLY 302 0.314 -3.339 2.691 804 H TRP 303 H TRP 303 1.113 -5.351 1.273 805 HA TRP 303 HA TRP 303 3.939 -5.836 1.399 806 1HB TRP 303 1HB TRP 303 3.529 -6.898 -0.906 807 2HB TRP 303 2HB TRP 303 2.747 -7.639 0.483 808 HD1 TRP 303 HD1 TRP 303 0.122 -7.661 0.544 809 HE1 TRP 303 HE1 TRP 303 -1.689 -7.075 -1.189 810 HE3 TRP 303 HE3 TRP 303 3.030 -5.213 -2.877 811 HZ2 TRP 303 HZ2 TRP 303 -1.861 -5.752 -3.673 812 HZ3 TRP 303 HZ3 TRP 303 1.963 -4.317 -4.906 813 HH2 TRP 303 HH2 TRP 303 -0.434 -4.583 -5.295 814 H GLU 304 H GLU 304 1.885 -3.553 -0.261 815 HA GLU 304 HA GLU 304 4.008 -2.726 -2.063 816 1HB GLU 304 1HB GLU 304 2.350 -1.023 -2.816 817 2HB GLU 304 2HB GLU 304 1.764 -2.677 -2.943 818 1HG GLU 304 1HG GLU 304 0.383 -2.426 -1.035 819 2HG GLU 304 2HG GLU 304 1.132 -0.887 -0.615 820 H THR 305 H THR 305 4.887 -0.590 -2.092 821 HA THR 305 HA THR 305 4.586 0.966 0.373 822 HB THR 305 HB THR 305 7.291 0.259 -0.776 823 HG1 THR 305 HG1 THR 305 6.460 -1.596 0.120 824 1HG2 THR 305 1HG2 THR 305 6.692 1.312 1.964 825 2HG2 THR 305 2HG2 THR 305 8.245 1.213 1.131 826 3HG2 THR 305 3HG2 THR 305 7.030 2.376 0.598 827 H TRP 306 H TRP 306 4.183 3.010 -0.138 828 HA TRP 306 HA TRP 306 4.633 3.979 -2.817 829 1HB TRP 306 1HB TRP 306 3.437 5.244 -0.348 830 2HB TRP 306 2HB TRP 306 3.608 6.098 -1.879 831 HD1 TRP 306 HD1 TRP 306 1.568 3.355 -0.190 832 HE1 TRP 306 HE1 TRP 306 -0.475 2.816 -1.660 833 HE3 TRP 306 HE3 TRP 306 2.795 6.103 -4.323 834 HZ2 TRP 306 HZ2 TRP 306 -1.436 3.470 -4.230 835 HZ3 TRP 306 HZ3 TRP 306 1.259 6.091 -6.246 836 HH2 TRP 306 HH2 TRP 306 -0.814 4.800 -6.199 837 H VAL 307 H VAL 307 6.592 4.640 -3.406 838 HA VAL 307 HA VAL 307 8.500 5.637 -1.488 839 HB VAL 307 HB VAL 307 9.966 5.940 -3.505 840 1HG1 VAL 307 1HG1 VAL 307 8.726 3.228 -3.065 841 2HG1 VAL 307 2HG1 VAL 307 10.247 3.519 -3.910 842 3HG1 VAL 307 3HG1 VAL 307 10.099 3.917 -2.199 843 1HG2 VAL 307 1HG2 VAL 307 7.980 6.236 -5.059 844 2HG2 VAL 307 2HG2 VAL 307 9.291 5.209 -5.641 845 3HG2 VAL 307 3HG2 VAL 307 7.813 4.481 -5.012 Start of MODEL 17 1 1H GLY 1 1H GLY 1 3.069 -25.326 -37.491 2 2H GLY 1 2H GLY 1 1.776 -24.731 -36.577 3 3H GLY 1 3H GLY 1 3.247 -25.092 -35.825 4 1HA GLY 1 1HA GLY 1 2.840 -22.964 -37.854 5 2HA GLY 1 2HA GLY 1 2.944 -22.695 -36.121 6 H SER 2 H SER 2 4.647 -22.537 -38.912 7 HA SER 2 HA SER 2 7.208 -23.374 -37.807 8 1HB SER 2 1HB SER 2 6.533 -22.189 -40.511 9 2HB SER 2 2HB SER 2 8.103 -22.837 -40.037 10 HG SER 2 HG SER 2 5.714 -24.174 -40.605 11 H HIS 3 H HIS 3 8.824 -22.023 -37.185 12 HA HIS 3 HA HIS 3 8.099 -19.275 -36.650 13 1HB HIS 3 1HB HIS 3 10.412 -21.039 -35.906 14 2HB HIS 3 2HB HIS 3 10.517 -19.297 -35.673 15 HD1 HIS 3 HD1 HIS 3 9.579 -18.421 -33.545 16 HD2 HIS 3 HD2 HIS 3 8.137 -22.212 -34.446 17 HE1 HIS 3 HE1 HIS 3 8.217 -19.115 -31.548 18 HE2 HIS 3 HE2 HIS 3 7.286 -21.377 -32.152 19 H MET 4 H MET 4 9.446 -17.458 -37.237 20 HA MET 4 HA MET 4 10.640 -17.809 -39.900 21 1HB MET 4 1HB MET 4 10.349 -15.316 -40.068 22 2HB MET 4 2HB MET 4 8.851 -16.228 -39.941 23 1HG MET 4 1HG MET 4 10.027 -15.264 -37.411 24 2HG MET 4 2HG MET 4 9.374 -14.041 -38.499 25 1HE MET 4 1HE MET 4 7.010 -15.067 -39.895 26 2HE MET 4 2HE MET 4 5.643 -14.956 -38.788 27 3HE MET 4 3HE MET 4 6.802 -13.631 -38.894 28 H GLY 5 H GLY 5 11.277 -16.647 -36.658 29 1HA GLY 5 1HA GLY 5 13.593 -16.862 -35.877 30 2HA GLY 5 2HA GLY 5 14.101 -16.223 -37.433 31 H HIS 6 H HIS 6 11.636 -15.148 -35.098 32 HA HIS 6 HA HIS 6 12.800 -12.460 -35.230 33 1HB HIS 6 1HB HIS 6 10.230 -13.170 -35.541 34 2HB HIS 6 2HB HIS 6 10.242 -12.941 -33.796 35 HD1 HIS 6 HD1 HIS 6 8.603 -10.902 -34.276 36 HD2 HIS 6 HD2 HIS 6 12.485 -10.464 -35.695 37 HE1 HIS 6 HE1 HIS 6 8.865 -8.451 -34.775 38 HE2 HIS 6 HE2 HIS 6 11.192 -8.225 -35.715 39 H GLU 7 H GLU 7 14.117 -11.861 -33.647 40 HA GLU 7 HA GLU 7 14.432 -13.366 -31.255 41 1HB GLU 7 1HB GLU 7 15.555 -10.765 -32.258 42 2HB GLU 7 2HB GLU 7 15.873 -11.308 -30.615 43 1HG GLU 7 1HG GLU 7 16.735 -13.451 -31.609 44 2HG GLU 7 2HG GLU 7 16.634 -12.665 -33.184 45 H LEU 8 H LEU 8 14.635 -11.874 -29.129 46 HA LEU 8 HA LEU 8 11.979 -11.360 -28.336 47 1HB LEU 8 1HB LEU 8 14.603 -10.611 -27.044 48 2HB LEU 8 2HB LEU 8 13.038 -10.403 -26.278 49 HG LEU 8 HG LEU 8 12.920 -13.041 -26.953 50 1HD1 LEU 8 1HD1 LEU 8 15.802 -12.366 -26.435 51 2HD1 LEU 8 2HD1 LEU 8 15.132 -13.974 -26.155 52 3HD1 LEU 8 3HD1 LEU 8 15.114 -13.280 -27.777 53 1HD2 LEU 8 1HD2 LEU 8 14.059 -11.855 -24.424 54 2HD2 LEU 8 2HD2 LEU 8 12.355 -12.146 -24.774 55 3HD2 LEU 8 3HD2 LEU 8 13.464 -13.506 -24.595 56 H ALA 9 H ALA 9 10.789 -9.536 -28.226 57 HA ALA 9 HA ALA 9 12.008 -7.071 -29.289 58 1HB ALA 9 1HB ALA 9 9.130 -7.979 -29.374 59 2HB ALA 9 2HB ALA 9 9.737 -6.448 -30.006 60 3HB ALA 9 3HB ALA 9 10.266 -7.970 -30.722 61 H LYS 10 H LYS 10 12.430 -7.547 -26.633 62 HA LYS 10 HA LYS 10 10.459 -6.521 -24.893 63 1HB LYS 10 1HB LYS 10 13.466 -6.621 -24.578 64 2HB LYS 10 2HB LYS 10 12.330 -6.265 -23.282 65 1HG LYS 10 1HG LYS 10 11.794 -8.756 -24.737 66 2HG LYS 10 2HG LYS 10 13.314 -8.726 -23.842 67 1HD LYS 10 1HD LYS 10 10.717 -7.893 -22.579 68 2HD LYS 10 2HD LYS 10 11.227 -9.583 -22.625 69 1HE LYS 10 1HE LYS 10 12.986 -7.400 -21.541 70 2HE LYS 10 2HE LYS 10 11.812 -8.246 -20.536 71 1HZ LYS 10 1HZ LYS 10 14.025 -9.532 -22.042 72 2HZ LYS 10 2HZ LYS 10 14.016 -9.234 -20.376 73 3HZ LYS 10 3HZ LYS 10 12.914 -10.327 -21.046 74 H GLN 11 H GLN 11 9.820 -4.519 -24.487 75 HA GLN 11 HA GLN 11 11.094 -2.319 -25.888 76 1HB GLN 11 1HB GLN 11 8.484 -2.739 -24.509 77 2HB GLN 11 2HB GLN 11 9.066 -1.093 -24.710 78 1HG GLN 11 1HG GLN 11 7.657 -1.542 -26.542 79 2HG GLN 11 2HG GLN 11 9.308 -1.587 -27.156 80 1HE2 GLN 11 2HE2 GLN 11 7.197 -3.919 -25.508 81 2HE2 GLN 11 1HE2 GLN 11 7.394 -5.178 -26.674 82 H GLU 12 H GLU 12 13.009 -1.956 -24.732 83 HA GLU 12 HA GLU 12 12.863 -1.344 -21.896 84 1HB GLU 12 1HB GLU 12 14.842 -2.450 -23.321 85 2HB GLU 12 2HB GLU 12 15.320 -0.764 -23.482 86 1HG GLU 12 1HG GLU 12 15.920 -0.583 -21.318 87 2HG GLU 12 2HG GLU 12 14.641 -1.660 -20.759 88 H ILE 13 H ILE 13 11.743 0.508 -21.591 89 HA ILE 13 HA ILE 13 12.638 2.908 -23.058 90 HB ILE 13 HB ILE 13 10.359 3.835 -22.555 91 1HG1 ILE 13 1HG1 ILE 13 9.810 0.956 -21.777 92 2HG1 ILE 13 2HG1 ILE 13 9.747 2.350 -20.705 93 1HG2 ILE 13 1HG2 ILE 13 10.987 2.930 -24.743 94 2HG2 ILE 13 2HG2 ILE 13 10.454 1.329 -24.232 95 3HG2 ILE 13 3HG2 ILE 13 9.284 2.640 -24.386 96 1HD1 ILE 13 1HD1 ILE 13 7.885 3.237 -22.088 97 2HD1 ILE 13 2HD1 ILE 13 7.907 1.729 -23.000 98 3HD1 ILE 13 3HD1 ILE 13 7.524 1.713 -21.279 99 H ARG 14 H ARG 14 12.493 4.949 -21.932 100 HA ARG 14 HA ARG 14 13.041 4.670 -19.049 101 1HB ARG 14 1HB ARG 14 14.491 5.939 -21.195 102 2HB ARG 14 2HB ARG 14 14.067 7.147 -19.991 103 1HG ARG 14 1HG ARG 14 14.973 5.233 -18.367 104 2HG ARG 14 2HG ARG 14 15.908 4.846 -19.813 105 1HD ARG 14 1HD ARG 14 15.762 7.671 -18.847 106 2HD ARG 14 2HD ARG 14 16.848 6.530 -18.054 107 HE ARG 14 HE ARG 14 17.094 6.623 -20.930 108 1HH1 ARG 14 1HH1 ARG 14 18.239 7.972 -17.893 109 2HH1 ARG 14 2HH1 ARG 14 19.736 8.522 -18.571 110 1HH2 ARG 14 1HH2 ARG 14 19.062 7.356 -21.793 111 2HH2 ARG 14 2HH2 ARG 14 20.200 8.175 -20.773 112 H VAL 15 H VAL 15 12.412 6.462 -17.666 113 HA VAL 15 HA VAL 15 10.365 8.253 -18.734 114 HB VAL 15 HB VAL 15 8.902 7.797 -16.749 115 1HG1 VAL 15 1HG1 VAL 15 8.409 6.936 -19.003 116 2HG1 VAL 15 2HG1 VAL 15 9.303 5.465 -18.618 117 3HG1 VAL 15 3HG1 VAL 15 7.830 5.860 -17.732 118 1HG2 VAL 15 1HG2 VAL 15 10.784 5.478 -16.442 119 2HG2 VAL 15 2HG2 VAL 15 10.353 6.701 -15.246 120 3HG2 VAL 15 3HG2 VAL 15 9.162 5.501 -15.751 121 H ARG 16 H ARG 16 10.286 10.227 -17.739 122 HA ARG 16 HA ARG 16 12.324 10.703 -15.671 123 1HB ARG 16 1HB ARG 16 12.514 11.913 -17.853 124 2HB ARG 16 2HB ARG 16 10.996 12.719 -17.487 125 1HG ARG 16 1HG ARG 16 12.023 14.240 -16.249 126 2HG ARG 16 2HG ARG 16 12.803 12.997 -15.275 127 1HD ARG 16 1HD ARG 16 14.387 14.552 -16.385 128 2HD ARG 16 2HD ARG 16 14.647 12.869 -16.804 129 HE ARG 16 HE ARG 16 13.588 14.973 -18.543 130 1HH1 ARG 16 1HH1 ARG 16 14.527 11.566 -18.270 131 2HH1 ARG 16 2HH1 ARG 16 14.628 11.365 -19.981 132 1HH2 ARG 16 1HH2 ARG 16 13.720 14.631 -20.762 133 2HH2 ARG 16 2HH2 ARG 16 14.172 13.078 -21.380 134 H VAL 17 H VAL 17 11.567 10.863 -13.665 135 HA VAL 17 HA VAL 17 8.913 12.086 -13.237 136 HB VAL 17 HB VAL 17 10.325 10.218 -11.332 137 1HG1 VAL 17 1HG1 VAL 17 8.646 11.749 -10.367 138 2HG1 VAL 17 2HG1 VAL 17 7.441 11.082 -11.468 139 3HG1 VAL 17 3HG1 VAL 17 8.179 10.052 -10.242 140 1HG2 VAL 17 1HG2 VAL 17 9.798 9.086 -13.475 141 2HG2 VAL 17 2HG2 VAL 17 8.897 8.437 -12.105 142 3HG2 VAL 17 3HG2 VAL 17 8.104 9.519 -13.249 143 H GLU 18 H GLU 18 8.905 14.003 -12.259 144 HA GLU 18 HA GLU 18 11.330 14.894 -10.872 145 1HB GLU 18 1HB GLU 18 8.940 16.558 -11.669 146 2HB GLU 18 2HB GLU 18 10.524 17.138 -11.170 147 1HG GLU 18 1HG GLU 18 10.784 17.366 -13.397 148 2HG GLU 18 2HG GLU 18 11.273 15.677 -13.261 149 H LYS 19 H LYS 19 11.386 14.793 -8.731 150 HA LYS 19 HA LYS 19 9.093 14.172 -7.171 151 1HB LYS 19 1HB LYS 19 11.913 14.955 -6.449 152 2HB LYS 19 2HB LYS 19 10.688 14.617 -5.231 153 1HG LYS 19 1HG LYS 19 10.476 12.427 -6.830 154 2HG LYS 19 2HG LYS 19 12.197 12.787 -6.951 155 1HD LYS 19 1HD LYS 19 11.858 13.038 -4.292 156 2HD LYS 19 2HD LYS 19 10.606 11.845 -4.646 157 1HE LYS 19 1HE LYS 19 12.279 10.438 -5.763 158 2HE LYS 19 2HE LYS 19 13.524 11.627 -5.385 159 1HZ LYS 19 1HZ LYS 19 13.042 11.258 -3.014 160 2HZ LYS 19 2HZ LYS 19 11.951 10.036 -3.433 161 3HZ LYS 19 3HZ LYS 19 13.595 9.859 -3.788 162 H ASP 20 H ASP 20 7.572 15.515 -6.537 163 HA ASP 20 HA ASP 20 8.094 17.981 -5.263 164 1HB ASP 20 1HB ASP 20 8.449 18.505 -7.765 165 2HB ASP 20 2HB ASP 20 6.702 18.337 -7.910 166 HA PRO 21 HA PRO 21 7.667 17.549 -3.354 167 1HB PRO 21 1HB PRO 21 6.231 16.142 -1.308 168 2HB PRO 21 2HB PRO 21 6.535 17.876 -1.426 169 1HG PRO 21 1HG PRO 21 4.048 16.693 -1.643 170 2HG PRO 21 2HG PRO 21 4.466 18.296 -2.272 171 1HD PRO 21 1HD PRO 21 4.306 15.674 -3.713 172 2HD PRO 21 2HD PRO 21 3.772 17.286 -4.241 173 H GLU 22 H GLU 22 6.038 14.633 -4.372 174 HA GLU 22 HA GLU 22 8.484 13.124 -3.764 175 1HB GLU 22 1HB GLU 22 5.657 12.308 -3.097 176 2HB GLU 22 2HB GLU 22 6.988 11.163 -3.154 177 1HG GLU 22 1HG GLU 22 6.996 13.609 -1.416 178 2HG GLU 22 2HG GLU 22 6.405 12.038 -0.882 179 H LEU 23 H LEU 23 8.056 10.750 -4.785 180 HA LEU 23 HA LEU 23 8.118 11.147 -7.584 181 1HB LEU 23 1HB LEU 23 7.897 8.612 -5.969 182 2HB LEU 23 2HB LEU 23 8.164 8.659 -7.702 183 HG LEU 23 HG LEU 23 10.187 10.268 -6.824 184 1HD1 LEU 23 1HD1 LEU 23 9.642 8.229 -4.689 185 2HD1 LEU 23 2HD1 LEU 23 11.246 8.909 -4.961 186 3HD1 LEU 23 3HD1 LEU 23 9.905 9.963 -4.513 187 1HD2 LEU 23 1HD2 LEU 23 10.236 7.273 -7.180 188 2HD2 LEU 23 2HD2 LEU 23 10.458 8.489 -8.437 189 3HD2 LEU 23 3HD2 LEU 23 11.661 8.312 -7.159 190 H GLY 24 H GLY 24 5.740 9.382 -5.558 191 1HA GLY 24 1HA GLY 24 3.392 9.667 -5.840 192 2HA GLY 24 2HA GLY 24 3.674 10.153 -7.503 193 H PHE 25 H PHE 25 4.927 7.251 -5.847 194 HA PHE 25 HA PHE 25 2.970 5.502 -6.897 195 1HB PHE 25 1HB PHE 25 4.186 4.386 -8.655 196 2HB PHE 25 2HB PHE 25 4.125 6.104 -9.023 197 HD1 PHE 25 HD1 PHE 25 6.273 3.319 -8.003 198 HD2 PHE 25 HD2 PHE 25 6.129 7.437 -9.066 199 HE1 PHE 25 HE1 PHE 25 8.717 3.329 -8.280 200 HE2 PHE 25 HE2 PHE 25 8.574 7.453 -9.344 201 HZ PHE 25 HZ PHE 25 9.870 5.397 -8.952 202 H SER 26 H SER 26 3.404 3.246 -6.429 203 HA SER 26 HA SER 26 5.417 2.929 -4.296 204 1HB SER 26 1HB SER 26 3.858 1.035 -3.542 205 2HB SER 26 2HB SER 26 3.287 2.686 -3.300 206 HG SER 26 HG SER 26 1.836 1.017 -4.342 207 H ILE 27 H ILE 27 6.459 0.876 -4.080 208 HA ILE 27 HA ILE 27 6.542 -0.689 -6.583 209 HB ILE 27 HB ILE 27 8.927 -1.118 -6.137 210 1HG1 ILE 27 1HG1 ILE 27 8.690 0.977 -3.963 211 2HG1 ILE 27 2HG1 ILE 27 8.782 -0.755 -3.650 212 1HG2 ILE 27 1HG2 ILE 27 8.198 1.806 -6.255 213 2HG2 ILE 27 2HG2 ILE 27 9.752 1.116 -6.721 214 3HG2 ILE 27 3HG2 ILE 27 8.296 0.698 -7.623 215 1HD1 ILE 27 1HD1 ILE 27 10.903 0.535 -5.291 216 2HD1 ILE 27 2HD1 ILE 27 10.916 0.736 -3.539 217 3HD1 ILE 27 3HD1 ILE 27 10.989 -0.880 -4.242 218 H SER 28 H SER 28 7.020 -2.941 -6.397 219 HA SER 28 HA SER 28 6.864 -4.105 -3.717 220 1HB SER 28 1HB SER 28 5.133 -5.715 -4.465 221 2HB SER 28 2HB SER 28 4.553 -4.049 -4.492 222 HG SER 28 HG SER 28 5.310 -5.688 -6.665 223 H GLY 29 H GLY 29 7.583 -6.333 -3.622 224 1HA GLY 29 1HA GLY 29 8.422 -8.289 -4.829 225 2HA GLY 29 2HA GLY 29 9.122 -7.186 -6.000 226 H GLY 30 H GLY 30 11.118 -8.311 -5.669 227 1HA GLY 30 1HA GLY 30 13.192 -7.253 -4.560 228 2HA GLY 30 2HA GLY 30 12.426 -7.815 -3.080 229 H VAL 31 H VAL 31 13.722 -9.404 -2.393 230 HA VAL 31 HA VAL 31 13.983 -11.774 -4.081 231 HB VAL 31 HB VAL 31 16.344 -10.611 -2.585 232 1HG1 VAL 31 1HG1 VAL 31 16.349 -13.058 -2.727 233 2HG1 VAL 31 2HG1 VAL 31 16.178 -12.954 -4.480 234 3HG1 VAL 31 3HG1 VAL 31 17.639 -12.349 -3.698 235 1HG2 VAL 31 1HG2 VAL 31 15.735 -9.275 -4.569 236 2HG2 VAL 31 2HG2 VAL 31 17.299 -10.074 -4.737 237 3HG2 VAL 31 3HG2 VAL 31 15.884 -10.725 -5.562 238 H GLY 32 H GLY 32 12.242 -12.341 -2.578 239 1HA GLY 32 1HA GLY 32 11.787 -13.969 -0.928 240 2HA GLY 32 2HA GLY 32 13.337 -13.613 -0.185 241 H GLY 33 H GLY 33 11.525 -10.782 -0.957 242 1HA GLY 33 1HA GLY 33 11.106 -10.286 1.872 243 2HA GLY 33 2HA GLY 33 10.892 -9.137 0.561 244 H ARG 34 H ARG 34 8.877 -8.412 1.225 245 HA ARG 34 HA ARG 34 6.738 -9.957 2.072 246 1HB ARG 34 1HB ARG 34 6.704 -7.343 0.556 247 2HB ARG 34 2HB ARG 34 5.332 -8.021 1.422 248 1HG ARG 34 1HG ARG 34 6.337 -7.688 3.509 249 2HG ARG 34 2HG ARG 34 7.938 -7.469 2.799 250 1HD ARG 34 1HD ARG 34 7.015 -5.398 1.680 251 2HD ARG 34 2HD ARG 34 5.594 -5.582 2.707 252 HE ARG 34 HE ARG 34 8.066 -5.564 4.171 253 1HH1 ARG 34 1HH1 ARG 34 5.576 -3.517 2.770 254 2HH1 ARG 34 2HH1 ARG 34 5.909 -2.191 3.833 255 1HH2 ARG 34 1HH2 ARG 34 8.481 -3.810 5.552 256 2HH2 ARG 34 2HH2 ARG 34 7.551 -2.357 5.404 257 H GLY 35 H GLY 35 7.942 -9.512 -1.171 258 1HA GLY 35 1HA GLY 35 7.381 -10.723 -3.064 259 2HA GLY 35 2HA GLY 35 6.087 -11.490 -2.158 260 H ASN 36 H ASN 36 5.428 -10.936 -4.617 261 HA ASN 36 HA ASN 36 3.596 -8.668 -4.355 262 1HB ASN 36 1HB ASN 36 4.062 -8.228 -6.884 263 2HB ASN 36 2HB ASN 36 5.169 -7.571 -5.687 264 1HD2 ASN 36 2HD2 ASN 36 4.724 -10.572 -7.548 265 2HD2 ASN 36 1HD2 ASN 36 6.389 -10.756 -7.968 266 HA PRO 37 HA PRO 37 0.927 -11.729 -6.178 267 1HB PRO 37 1HB PRO 37 -1.354 -10.346 -6.285 268 2HB PRO 37 2HB PRO 37 -0.604 -10.770 -4.744 269 1HG PRO 37 1HG PRO 37 -0.735 -8.152 -6.121 270 2HG PRO 37 2HG PRO 37 -0.626 -8.511 -4.391 271 1HD PRO 37 1HD PRO 37 1.495 -7.777 -6.155 272 2HD PRO 37 2HD PRO 37 1.619 -8.238 -4.447 273 H PHE 38 H PHE 38 2.535 -10.051 -8.110 274 HA PHE 38 HA PHE 38 0.622 -9.941 -10.348 275 1HB PHE 38 1HB PHE 38 3.268 -8.566 -9.892 276 2HB PHE 38 2HB PHE 38 2.498 -8.622 -11.474 277 HD1 PHE 38 HD1 PHE 38 2.224 -7.334 -8.045 278 HD2 PHE 38 HD2 PHE 38 0.587 -7.281 -11.973 279 HE1 PHE 38 HE1 PHE 38 0.873 -5.366 -7.452 280 HE2 PHE 38 HE2 PHE 38 -0.767 -5.313 -11.386 281 HZ PHE 38 HZ PHE 38 -0.625 -4.353 -9.122 282 H ARG 39 H ARG 39 4.029 -10.791 -9.708 283 HA ARG 39 HA ARG 39 3.815 -12.874 -11.788 284 1HB ARG 39 1HB ARG 39 6.100 -11.144 -10.890 285 2HB ARG 39 2HB ARG 39 6.417 -12.697 -11.654 286 1HG ARG 39 1HG ARG 39 4.642 -10.643 -12.931 287 2HG ARG 39 2HG ARG 39 6.392 -10.624 -13.140 288 1HD ARG 39 1HD ARG 39 6.301 -12.251 -14.663 289 2HD ARG 39 2HD ARG 39 5.323 -13.270 -13.610 290 HE ARG 39 HE ARG 39 3.873 -11.138 -14.908 291 1HH1 ARG 39 1HH1 ARG 39 4.913 -14.485 -15.155 292 2HH1 ARG 39 2HH1 ARG 39 3.663 -14.909 -16.277 293 1HH2 ARG 39 1HH2 ARG 39 2.246 -11.720 -16.381 294 2HH2 ARG 39 2HH2 ARG 39 2.158 -13.347 -16.970 295 HA PRO 40 HA PRO 40 4.492 -15.664 -8.380 296 1HB PRO 40 1HB PRO 40 4.482 -17.999 -9.692 297 2HB PRO 40 2HB PRO 40 3.025 -17.014 -9.523 298 1HG PRO 40 1HG PRO 40 4.776 -17.416 -11.885 299 2HG PRO 40 2HG PRO 40 3.035 -17.104 -11.812 300 1HD PRO 40 1HD PRO 40 5.072 -15.220 -12.342 301 2HD PRO 40 2HD PRO 40 3.362 -14.874 -12.023 302 H ASP 41 H ASP 41 6.480 -16.474 -11.254 303 HA ASP 41 HA ASP 41 8.584 -17.431 -9.471 304 1HB ASP 41 1HB ASP 41 8.169 -17.654 -12.446 305 2HB ASP 41 2HB ASP 41 9.644 -18.187 -11.645 306 H ASP 42 H ASP 42 7.854 -14.491 -11.008 307 HA ASP 42 HA ASP 42 10.637 -13.793 -11.510 308 1HB ASP 42 1HB ASP 42 8.476 -13.087 -12.877 309 2HB ASP 42 2HB ASP 42 8.431 -11.789 -11.688 310 H ASP 43 H ASP 43 11.853 -13.163 -9.852 311 HA ASP 43 HA ASP 43 10.581 -11.879 -7.548 312 1HB ASP 43 1HB ASP 43 12.781 -12.341 -6.422 313 2HB ASP 43 2HB ASP 43 11.932 -13.783 -6.973 314 H GLY 44 H GLY 44 10.527 -10.102 -9.475 315 1HA GLY 44 1HA GLY 44 12.902 -8.375 -9.116 316 2HA GLY 44 2HA GLY 44 11.855 -8.336 -10.526 317 H ILE 45 H ILE 45 11.817 -5.998 -10.033 318 HA ILE 45 HA ILE 45 9.953 -5.330 -7.843 319 HB ILE 45 HB ILE 45 11.614 -3.320 -9.355 320 1HG1 ILE 45 1HG1 ILE 45 13.153 -4.978 -8.343 321 2HG1 ILE 45 2HG1 ILE 45 13.285 -3.399 -7.576 322 1HG2 ILE 45 1HG2 ILE 45 9.695 -2.506 -8.069 323 2HG2 ILE 45 2HG2 ILE 45 10.361 -3.249 -6.615 324 3HG2 ILE 45 3HG2 ILE 45 11.224 -1.930 -7.406 325 1HD1 ILE 45 1HD1 ILE 45 11.596 -4.391 -5.868 326 2HD1 ILE 45 2HD1 ILE 45 12.157 -5.938 -6.502 327 3HD1 ILE 45 3HD1 ILE 45 13.306 -4.817 -5.772 328 H PHE 46 H PHE 46 7.979 -4.454 -8.314 329 HA PHE 46 HA PHE 46 7.482 -3.590 -11.089 330 1HB PHE 46 1HB PHE 46 5.559 -5.223 -9.417 331 2HB PHE 46 2HB PHE 46 5.335 -4.713 -11.087 332 HD1 PHE 46 HD1 PHE 46 7.743 -6.659 -8.998 333 HD2 PHE 46 HD2 PHE 46 5.782 -6.228 -12.751 334 HE1 PHE 46 HE1 PHE 46 8.769 -8.758 -9.772 335 HE2 PHE 46 HE2 PHE 46 6.804 -8.329 -13.530 336 HZ PHE 46 HZ PHE 46 8.300 -9.593 -12.039 337 H VAL 47 H VAL 47 5.826 -2.008 -11.338 338 HA VAL 47 HA VAL 47 5.475 -0.339 -8.972 339 HB VAL 47 HB VAL 47 4.667 0.260 -11.823 340 1HG1 VAL 47 1HG1 VAL 47 5.025 2.043 -9.416 341 2HG1 VAL 47 2HG1 VAL 47 4.733 2.610 -11.059 342 3HG1 VAL 47 3HG1 VAL 47 3.508 1.654 -10.225 343 1HG2 VAL 47 1HG2 VAL 47 7.146 -0.202 -11.391 344 2HG2 VAL 47 2HG2 VAL 47 6.726 1.320 -12.176 345 3HG2 VAL 47 3HG2 VAL 47 7.132 1.295 -10.460 346 H THR 48 H THR 48 3.988 -1.802 -7.945 347 HA THR 48 HA THR 48 1.705 -2.949 -8.685 348 HB THR 48 HB THR 48 2.419 -3.050 -6.413 349 HG1 THR 48 HG1 THR 48 0.462 -3.007 -5.485 350 1HG2 THR 48 1HG2 THR 48 1.456 -0.257 -5.919 351 2HG2 THR 48 2HG2 THR 48 2.384 -1.313 -4.853 352 3HG2 THR 48 3HG2 THR 48 3.143 -0.620 -6.287 353 H ARG 49 H ARG 49 1.648 0.550 -7.750 354 HA ARG 49 HA ARG 49 -0.445 1.025 -9.673 355 1HB ARG 49 1HB ARG 49 -2.163 1.712 -8.098 356 2HB ARG 49 2HB ARG 49 -1.714 0.035 -7.816 357 1HG ARG 49 1HG ARG 49 -0.038 1.307 -6.108 358 2HG ARG 49 2HG ARG 49 -1.433 2.385 -6.080 359 1HD ARG 49 1HD ARG 49 -1.967 -0.522 -5.842 360 2HD ARG 49 2HD ARG 49 -1.194 0.264 -4.472 361 HE ARG 49 HE ARG 49 -3.122 1.481 -4.075 362 1HH1 ARG 49 1HH1 ARG 49 -3.521 -0.355 -7.057 363 2HH1 ARG 49 2HH1 ARG 49 -5.230 -0.100 -7.104 364 1HH2 ARG 49 1HH2 ARG 49 -5.356 1.795 -4.186 365 2HH2 ARG 49 2HH2 ARG 49 -6.264 1.112 -5.493 366 H VAL 50 H VAL 50 -1.434 3.337 -9.185 367 HA VAL 50 HA VAL 50 0.674 5.176 -8.286 368 HB VAL 50 HB VAL 50 -0.850 5.599 -10.862 369 1HG1 VAL 50 1HG1 VAL 50 -0.073 7.624 -9.701 370 2HG1 VAL 50 2HG1 VAL 50 1.576 6.999 -9.743 371 3HG1 VAL 50 3HG1 VAL 50 0.741 7.385 -11.247 372 1HG2 VAL 50 1HG2 VAL 50 0.625 3.681 -11.136 373 2HG2 VAL 50 2HG2 VAL 50 1.233 5.067 -12.040 374 3HG2 VAL 50 3HG2 VAL 50 1.982 4.618 -10.507 375 H GLN 51 H GLN 51 -0.101 7.208 -7.539 376 HA GLN 51 HA GLN 51 -2.993 7.224 -6.997 377 1HB GLN 51 1HB GLN 51 -0.617 8.146 -5.469 378 2HB GLN 51 2HB GLN 51 -2.107 9.061 -5.275 379 1HG GLN 51 1HG GLN 51 -2.183 6.095 -5.034 380 2HG GLN 51 2HG GLN 51 -1.542 7.052 -3.700 381 1HE2 GLN 51 2HE2 GLN 51 -3.134 6.773 -2.241 382 2HE2 GLN 51 1HE2 GLN 51 -4.768 7.285 -2.468 383 HA PRO 52 HA PRO 52 -2.474 11.704 -8.448 384 1HB PRO 52 1HB PRO 52 -0.091 12.871 -8.798 385 2HB PRO 52 2HB PRO 52 -0.818 12.720 -7.194 386 1HG PRO 52 1HG PRO 52 1.319 11.057 -8.467 387 2HG PRO 52 2HG PRO 52 1.228 11.684 -6.811 388 1HD PRO 52 1HD PRO 52 0.557 9.117 -7.507 389 2HD PRO 52 2HD PRO 52 -0.120 9.972 -6.108 390 H GLU 53 H GLU 53 -3.168 11.599 -10.499 391 HA GLU 53 HA GLU 53 -1.722 10.193 -12.525 392 1HB GLU 53 1HB GLU 53 -3.564 10.902 -14.012 393 2HB GLU 53 2HB GLU 53 -4.146 10.154 -12.530 394 1HG GLU 53 1HG GLU 53 -3.870 13.070 -12.411 395 2HG GLU 53 2HG GLU 53 -5.073 12.481 -13.556 396 H GLY 54 H GLY 54 0.225 11.653 -12.096 397 1HA GLY 54 1HA GLY 54 0.350 13.581 -14.268 398 2HA GLY 54 2HA GLY 54 0.584 14.251 -12.662 399 HA PRO 55 HA PRO 55 4.877 13.281 -12.668 400 1HB PRO 55 1HB PRO 55 5.318 11.700 -10.445 401 2HB PRO 55 2HB PRO 55 5.178 13.458 -10.424 402 1HG PRO 55 1HG PRO 55 3.127 11.386 -9.778 403 2HG PRO 55 2HG PRO 55 3.451 12.936 -8.978 404 1HD PRO 55 1HD PRO 55 1.387 12.620 -10.668 405 2HD PRO 55 2HD PRO 55 2.292 14.145 -10.573 406 H ALA 56 H ALA 56 3.917 10.185 -11.180 407 HA ALA 56 HA ALA 56 5.248 8.814 -13.407 408 1HB ALA 56 1HB ALA 56 4.837 8.145 -10.524 409 2HB ALA 56 2HB ALA 56 5.141 6.859 -11.693 410 3HB ALA 56 3HB ALA 56 6.322 8.150 -11.477 411 H SER 57 H SER 57 2.736 9.679 -14.028 412 HA SER 57 HA SER 57 1.096 7.225 -13.929 413 1HB SER 57 1HB SER 57 0.100 9.287 -12.864 414 2HB SER 57 2HB SER 57 0.099 10.031 -14.463 415 HG SER 57 HG SER 57 -1.260 7.658 -13.699 416 H LYS 58 H LYS 58 1.423 10.113 -15.979 417 HA LYS 58 HA LYS 58 0.657 8.836 -18.366 418 1HB LYS 58 1HB LYS 58 0.659 11.304 -17.944 419 2HB LYS 58 2HB LYS 58 2.411 11.280 -18.088 420 1HG LYS 58 1HG LYS 58 1.532 12.000 -20.168 421 2HG LYS 58 2HG LYS 58 2.129 10.355 -20.390 422 1HD LYS 58 1HD LYS 58 -0.004 10.589 -21.494 423 2HD LYS 58 2HD LYS 58 -0.179 9.516 -20.107 424 1HE LYS 58 1HE LYS 58 -0.676 12.343 -19.506 425 2HE LYS 58 2HE LYS 58 -1.798 11.644 -20.673 426 1HZ LYS 58 1HZ LYS 58 -2.094 9.787 -19.025 427 2HZ LYS 58 2HZ LYS 58 -1.270 10.746 -17.902 428 3HZ LYS 58 3HZ LYS 58 -2.732 11.283 -18.563 429 H LEU 59 H LEU 59 3.692 8.832 -16.657 430 HA LEU 59 HA LEU 59 5.150 7.937 -19.028 431 1HB LEU 59 1HB LEU 59 6.128 8.534 -16.239 432 2HB LEU 59 2HB LEU 59 7.138 8.134 -17.616 433 HG LEU 59 HG LEU 59 5.333 10.543 -17.589 434 1HD1 LEU 59 1HD1 LEU 59 8.221 10.332 -16.754 435 2HD1 LEU 59 2HD1 LEU 59 7.372 11.846 -17.072 436 3HD1 LEU 59 3HD1 LEU 59 6.855 10.807 -15.744 437 1HD2 LEU 59 1HD2 LEU 59 6.156 9.627 -19.767 438 2HD2 LEU 59 2HD2 LEU 59 6.666 11.282 -19.428 439 3HD2 LEU 59 3HD2 LEU 59 7.800 9.948 -19.215 440 H LEU 60 H LEU 60 4.680 6.856 -15.653 441 HA LEU 60 HA LEU 60 5.511 4.170 -16.433 442 1HB LEU 60 1HB LEU 60 5.003 5.496 -13.784 443 2HB LEU 60 2HB LEU 60 5.219 3.760 -13.918 444 HG LEU 60 HG LEU 60 7.274 5.669 -14.995 445 1HD1 LEU 60 1HD1 LEU 60 6.949 4.675 -12.176 446 2HD1 LEU 60 2HD1 LEU 60 8.490 5.234 -12.825 447 3HD1 LEU 60 3HD1 LEU 60 7.119 6.339 -12.733 448 1HD2 LEU 60 1HD2 LEU 60 7.326 2.790 -14.106 449 2HD2 LEU 60 2HD2 LEU 60 7.478 3.399 -15.755 450 3HD2 LEU 60 3HD2 LEU 60 8.750 3.718 -14.576 451 H GLN 61 H GLN 61 4.248 2.327 -16.177 452 HA GLN 61 HA GLN 61 1.357 2.805 -15.821 453 1HB GLN 61 1HB GLN 61 0.947 0.967 -17.392 454 2HB GLN 61 2HB GLN 61 1.890 2.246 -18.145 455 1HG GLN 61 1HG GLN 61 3.722 0.949 -18.382 456 2HG GLN 61 2HG GLN 61 3.414 0.050 -16.897 457 1HE2 GLN 61 2HE2 GLN 61 3.687 -1.959 -17.772 458 2HE2 GLN 61 1HE2 GLN 61 2.606 -2.648 -18.930 459 HA PRO 62 HA PRO 62 1.574 -0.005 -12.382 460 1HB PRO 62 1HB PRO 62 -1.129 -0.959 -13.124 461 2HB PRO 62 2HB PRO 62 -0.568 -0.222 -11.623 462 1HG PRO 62 1HG PRO 62 -2.105 1.129 -13.334 463 2HG PRO 62 2HG PRO 62 -0.800 1.928 -12.436 464 1HD PRO 62 1HD PRO 62 -0.860 1.018 -15.287 465 2HD PRO 62 2HD PRO 62 -0.182 2.505 -14.590 466 H GLY 63 H GLY 63 2.465 -1.947 -12.135 467 1HA GLY 63 1HA GLY 63 2.573 -4.289 -12.337 468 2HA GLY 63 2HA GLY 63 1.578 -4.191 -13.777 469 H ASP 64 H ASP 64 4.279 -2.032 -13.651 470 HA ASP 64 HA ASP 64 5.494 -3.452 -15.855 471 1HB ASP 64 1HB ASP 64 6.922 -1.476 -16.058 472 2HB ASP 64 2HB ASP 64 5.235 -1.004 -15.914 473 H LYS 65 H LYS 65 8.148 -2.995 -15.644 474 HA LYS 65 HA LYS 65 9.029 -4.246 -13.135 475 1HB LYS 65 1HB LYS 65 8.714 -5.940 -15.015 476 2HB LYS 65 2HB LYS 65 10.056 -5.146 -15.826 477 1HG LYS 65 1HG LYS 65 11.577 -5.761 -14.121 478 2HG LYS 65 2HG LYS 65 10.272 -6.267 -13.048 479 1HD LYS 65 1HD LYS 65 9.756 -8.139 -14.449 480 2HD LYS 65 2HD LYS 65 10.865 -7.572 -15.699 481 1HE LYS 65 1HE LYS 65 11.828 -8.205 -12.930 482 2HE LYS 65 2HE LYS 65 11.635 -9.472 -14.142 483 1HZ LYS 65 1HZ LYS 65 13.099 -8.090 -15.604 484 2HZ LYS 65 2HZ LYS 65 13.423 -7.111 -14.265 485 3HZ LYS 65 3HZ LYS 65 13.865 -8.743 -14.245 486 H ILE 66 H ILE 66 10.631 -3.113 -12.251 487 HA ILE 66 HA ILE 66 12.060 -1.140 -13.852 488 HB ILE 66 HB ILE 66 12.336 -1.640 -10.885 489 1HG1 ILE 66 1HG1 ILE 66 10.571 0.457 -12.147 490 2HG1 ILE 66 2HG1 ILE 66 9.957 -1.130 -11.699 491 1HG2 ILE 66 1HG2 ILE 66 13.075 0.644 -12.694 492 2HG2 ILE 66 2HG2 ILE 66 12.982 0.805 -10.940 493 3HG2 ILE 66 3HG2 ILE 66 14.132 -0.321 -11.663 494 1HD1 ILE 66 1HD1 ILE 66 11.394 0.553 -9.694 495 2HD1 ILE 66 2HD1 ILE 66 9.692 0.840 -10.060 496 3HD1 ILE 66 3HD1 ILE 66 10.209 -0.729 -9.439 497 H ILE 67 H ILE 67 13.931 -1.646 -14.791 498 HA ILE 67 HA ILE 67 15.478 -3.923 -13.796 499 HB ILE 67 HB ILE 67 16.037 -2.362 -16.309 500 1HG1 ILE 67 1HG1 ILE 67 13.733 -3.169 -16.443 501 2HG1 ILE 67 2HG1 ILE 67 14.765 -4.095 -17.528 502 1HG2 ILE 67 1HG2 ILE 67 17.793 -3.864 -15.380 503 2HG2 ILE 67 2HG2 ILE 67 16.683 -5.216 -15.605 504 3HG2 ILE 67 3HG2 ILE 67 17.250 -4.298 -17.000 505 1HD1 ILE 67 1HD1 ILE 67 14.849 -5.904 -15.888 506 2HD1 ILE 67 2HD1 ILE 67 13.799 -4.975 -14.820 507 3HD1 ILE 67 3HD1 ILE 67 13.196 -5.535 -16.380 508 H GLN 68 H GLN 68 15.837 -0.445 -14.374 509 HA GLN 68 HA GLN 68 18.149 -0.419 -12.606 510 1HB GLN 68 1HB GLN 68 18.287 0.120 -15.540 511 2HB GLN 68 2HB GLN 68 19.276 1.105 -14.469 512 1HG GLN 68 1HG GLN 68 19.639 -1.560 -13.652 513 2HG GLN 68 2HG GLN 68 19.714 -1.565 -15.412 514 1HE2 GLN 68 2HE2 GLN 68 20.891 0.789 -15.995 515 2HE2 GLN 68 1HE2 GLN 68 22.489 0.850 -15.340 516 H ALA 69 H ALA 69 18.665 1.610 -11.769 517 HA ALA 69 HA ALA 69 16.901 3.853 -12.459 518 1HB ALA 69 1HB ALA 69 16.067 2.514 -10.441 519 2HB ALA 69 2HB ALA 69 17.453 3.188 -9.584 520 3HB ALA 69 3HB ALA 69 16.225 4.260 -10.257 521 H ASN 70 H ASN 70 18.109 5.578 -12.903 522 HA ASN 70 HA ASN 70 19.955 6.931 -13.126 523 1HB ASN 70 1HB ASN 70 19.491 6.640 -10.181 524 2HB ASN 70 2HB ASN 70 20.798 7.662 -10.775 525 1HD2 ASN 70 2HD2 ASN 70 17.936 7.951 -9.541 526 2HD2 ASN 70 1HD2 ASN 70 17.275 9.259 -10.455 527 H GLY 71 H GLY 71 20.670 4.049 -13.200 528 1HA GLY 71 1HA GLY 71 22.838 3.235 -13.739 529 2HA GLY 71 2HA GLY 71 23.525 4.400 -12.620 530 H TYR 72 H TYR 72 20.896 2.875 -11.124 531 HA TYR 72 HA TYR 72 22.722 0.993 -9.784 532 1HB TYR 72 1HB TYR 72 20.370 2.592 -8.821 533 2HB TYR 72 2HB TYR 72 20.808 1.100 -7.995 534 HD1 TYR 72 HD1 TYR 72 23.343 0.913 -7.304 535 HD2 TYR 72 HD2 TYR 72 21.345 4.576 -8.134 536 HE1 TYR 72 HE1 TYR 72 25.041 2.127 -6.004 537 HE2 TYR 72 HE2 TYR 72 23.038 5.800 -6.838 538 HH TYR 72 HH TYR 72 24.979 4.524 -4.681 539 H SER 73 H SER 73 22.398 -1.090 -10.208 540 HA SER 73 HA SER 73 20.238 -1.999 -11.791 541 1HB SER 73 1HB SER 73 22.658 -2.977 -11.414 542 2HB SER 73 2HB SER 73 21.853 -3.902 -10.148 543 HG SER 73 HG SER 73 21.577 -4.044 -12.913 544 H PHE 74 H PHE 74 18.236 -2.463 -11.204 545 HA PHE 74 HA PHE 74 17.647 -2.923 -8.369 546 1HB PHE 74 1HB PHE 74 16.021 -2.013 -10.722 547 2HB PHE 74 2HB PHE 74 15.227 -2.662 -9.297 548 HD1 PHE 74 HD1 PHE 74 18.304 -0.629 -9.015 549 HD2 PHE 74 HD2 PHE 74 14.045 -0.632 -8.856 550 HE1 PHE 74 HE1 PHE 74 18.341 1.601 -7.979 551 HE2 PHE 74 HE2 PHE 74 14.083 1.598 -7.819 552 HZ PHE 74 HZ PHE 74 16.231 2.715 -7.379 553 H ILE 75 H ILE 75 18.606 -4.985 -10.578 554 HA ILE 75 HA ILE 75 16.372 -6.851 -10.461 555 HB ILE 75 HB ILE 75 17.570 -6.583 -12.598 556 1HG1 ILE 75 1HG1 ILE 75 18.074 -9.061 -12.955 557 2HG1 ILE 75 2HG1 ILE 75 17.702 -9.276 -11.247 558 1HG2 ILE 75 1HG2 ILE 75 19.811 -6.132 -11.699 559 2HG2 ILE 75 2HG2 ILE 75 19.937 -7.817 -11.194 560 3HG2 ILE 75 3HG2 ILE 75 19.826 -7.416 -12.908 561 1HD1 ILE 75 1HD1 ILE 75 15.820 -8.132 -13.298 562 2HD1 ILE 75 2HD1 ILE 75 15.802 -9.793 -12.706 563 3HD1 ILE 75 3HD1 ILE 75 15.457 -8.460 -11.604 564 H ASN 76 H ASN 76 16.200 -8.360 -8.944 565 HA ASN 76 HA ASN 76 16.673 -9.765 -7.224 566 1HB ASN 76 1HB ASN 76 19.357 -9.804 -8.619 567 2HB ASN 76 2HB ASN 76 18.985 -10.818 -7.228 568 1HD2 ASN 76 2HD2 ASN 76 19.255 -10.909 -10.422 569 2HD2 ASN 76 1HD2 ASN 76 18.092 -12.125 -10.814 570 H ILE 77 H ILE 77 16.328 -7.797 -5.941 571 HA ILE 77 HA ILE 77 18.587 -7.376 -4.161 572 HB ILE 77 HB ILE 77 18.236 -4.906 -4.141 573 1HG1 ILE 77 1HG1 ILE 77 16.910 -5.196 -6.819 574 2HG1 ILE 77 2HG1 ILE 77 15.945 -5.205 -5.346 575 1HG2 ILE 77 1HG2 ILE 77 20.108 -5.955 -5.337 576 2HG2 ILE 77 2HG2 ILE 77 19.118 -6.029 -6.796 577 3HG2 ILE 77 3HG2 ILE 77 19.571 -4.466 -6.115 578 1HD1 ILE 77 1HD1 ILE 77 17.880 -3.004 -5.974 579 2HD1 ILE 77 2HD1 ILE 77 16.209 -2.991 -6.538 580 3HD1 ILE 77 3HD1 ILE 77 16.556 -3.007 -4.809 581 H GLU 78 H GLU 78 17.935 -6.293 -2.152 582 HA GLU 78 HA GLU 78 15.437 -7.319 -1.225 583 1HB GLU 78 1HB GLU 78 17.431 -5.497 0.130 584 2HB GLU 78 2HB GLU 78 16.069 -6.273 0.927 585 1HG GLU 78 1HG GLU 78 17.042 -8.476 0.247 586 2HG GLU 78 2HG GLU 78 18.470 -7.599 -0.299 587 H HIS 79 H HIS 79 13.560 -6.289 -0.734 588 HA HIS 79 HA HIS 79 12.660 -4.140 -2.187 589 1HB HIS 79 1HB HIS 79 11.355 -5.813 -0.732 590 2HB HIS 79 2HB HIS 79 11.613 -4.673 0.585 591 HD1 HIS 79 HD1 HIS 79 8.803 -5.422 -0.690 592 HD2 HIS 79 HD2 HIS 79 11.024 -2.002 -1.486 593 HE1 HIS 79 HE1 HIS 79 7.147 -3.713 -1.507 594 HE2 HIS 79 HE2 HIS 79 8.496 -1.620 -1.859 595 H GLY 80 H GLY 80 13.834 -3.990 1.188 596 1HA GLY 80 1HA GLY 80 13.439 -1.265 1.638 597 2HA GLY 80 2HA GLY 80 14.659 -2.245 2.435 598 H GLN 81 H GLN 81 15.958 -2.866 -0.173 599 HA GLN 81 HA GLN 81 17.746 -0.631 -0.217 600 1HB GLN 81 1HB GLN 81 18.371 -3.064 -0.606 601 2HB GLN 81 2HB GLN 81 17.650 -2.902 -2.201 602 1HG GLN 81 1HG GLN 81 19.994 -2.604 -2.428 603 2HG GLN 81 2HG GLN 81 19.227 -1.033 -2.653 604 1HE2 GLN 81 2HE2 GLN 81 21.602 -2.743 -1.027 605 2HE2 GLN 81 1HE2 GLN 81 22.007 -1.558 0.164 606 H ALA 82 H ALA 82 15.258 -1.913 -2.373 607 HA ALA 82 HA ALA 82 15.703 -0.151 -4.528 608 1HB ALA 82 1HB ALA 82 13.183 -1.579 -3.687 609 2HB ALA 82 2HB ALA 82 13.426 -0.776 -5.239 610 3HB ALA 82 3HB ALA 82 14.409 -2.175 -4.807 611 H VAL 83 H VAL 83 13.773 0.110 -1.600 612 HA VAL 83 HA VAL 83 12.462 2.538 -2.370 613 HB VAL 83 HB VAL 83 12.802 1.449 0.431 614 1HG1 VAL 83 1HG1 VAL 83 11.984 3.825 0.089 615 2HG1 VAL 83 2HG1 VAL 83 10.549 3.120 -0.654 616 3HG1 VAL 83 3HG1 VAL 83 10.936 2.763 1.030 617 1HG2 VAL 83 1HG2 VAL 83 11.809 -0.156 -1.306 618 2HG2 VAL 83 2HG2 VAL 83 10.887 0.131 0.171 619 3HG2 VAL 83 3HG2 VAL 83 10.424 0.936 -1.327 620 H SER 84 H SER 84 15.253 1.702 -0.372 621 HA SER 84 HA SER 84 15.800 4.244 0.660 622 1HB SER 84 1HB SER 84 17.946 3.382 1.256 623 2HB SER 84 2HB SER 84 16.817 2.032 1.375 624 HG SER 84 HG SER 84 18.607 1.327 0.261 625 H LEU 85 H LEU 85 16.982 2.660 -2.289 626 HA LEU 85 HA LEU 85 18.702 4.749 -3.096 627 1HB LEU 85 1HB LEU 85 17.360 2.517 -4.605 628 2HB LEU 85 2HB LEU 85 18.439 3.661 -5.385 629 HG LEU 85 HG LEU 85 19.180 1.788 -3.137 630 1HD1 LEU 85 1HD1 LEU 85 18.815 0.712 -5.338 631 2HD1 LEU 85 2HD1 LEU 85 20.035 1.784 -6.028 632 3HD1 LEU 85 3HD1 LEU 85 20.488 0.618 -4.785 633 1HD2 LEU 85 1HD2 LEU 85 20.786 3.839 -4.650 634 2HD2 LEU 85 2HD2 LEU 85 20.463 3.791 -2.917 635 3HD2 LEU 85 3HD2 LEU 85 21.497 2.568 -3.656 636 H LEU 86 H LEU 86 15.346 3.983 -3.960 637 HA LEU 86 HA LEU 86 15.053 6.050 -5.856 638 1HB LEU 86 1HB LEU 86 13.236 4.214 -4.392 639 2HB LEU 86 2HB LEU 86 12.512 5.640 -5.114 640 HG LEU 86 HG LEU 86 14.165 3.614 -6.619 641 1HD1 LEU 86 1HD1 LEU 86 12.038 2.681 -5.812 642 2HD1 LEU 86 2HD1 LEU 86 11.178 4.008 -6.593 643 3HD1 LEU 86 3HD1 LEU 86 12.077 2.845 -7.568 644 1HD2 LEU 86 1HD2 LEU 86 12.613 6.051 -7.459 645 2HD2 LEU 86 2HD2 LEU 86 14.326 5.712 -7.707 646 3HD2 LEU 86 3HD2 LEU 86 13.108 4.788 -8.586 647 H LYS 87 H LYS 87 14.490 5.948 -2.377 648 HA LYS 87 HA LYS 87 13.167 8.476 -2.280 649 1HB LYS 87 1HB LYS 87 14.335 6.662 -0.188 650 2HB LYS 87 2HB LYS 87 13.657 8.232 0.224 651 1HG LYS 87 1HG LYS 87 11.529 7.515 -0.860 652 2HG LYS 87 2HG LYS 87 12.229 5.905 -1.038 653 1HD LYS 87 1HD LYS 87 12.416 5.654 1.336 654 2HD LYS 87 2HD LYS 87 11.958 7.336 1.600 655 1HE LYS 87 1HE LYS 87 10.134 5.396 0.213 656 2HE LYS 87 2HE LYS 87 10.172 5.539 1.970 657 1HZ LYS 87 1HZ LYS 87 9.683 7.928 1.694 658 2HZ LYS 87 2HZ LYS 87 9.514 7.687 0.028 659 3HZ LYS 87 3HZ LYS 87 8.449 6.931 1.106 660 H THR 88 H THR 88 16.524 7.440 -1.730 661 HA THR 88 HA THR 88 17.384 9.930 -0.691 662 HB THR 88 HB THR 88 18.571 7.823 -0.270 663 HG1 THR 88 HG1 THR 88 20.147 9.723 -1.667 664 1HG2 THR 88 1HG2 THR 88 20.241 7.547 -2.476 665 2HG2 THR 88 2HG2 THR 88 19.006 6.416 -1.921 666 3HG2 THR 88 3HG2 THR 88 18.609 7.629 -3.138 667 H PHE 89 H PHE 89 16.961 8.794 -3.969 668 HA PHE 89 HA PHE 89 18.772 10.243 -5.424 669 1HB PHE 89 1HB PHE 89 15.918 9.537 -6.007 670 2HB PHE 89 2HB PHE 89 16.862 10.465 -7.165 671 HD1 PHE 89 HD1 PHE 89 19.528 9.114 -6.873 672 HD2 PHE 89 HD2 PHE 89 15.580 7.536 -7.086 673 HE1 PHE 89 HE1 PHE 89 20.420 7.011 -7.775 674 HE2 PHE 89 HE2 PHE 89 16.469 5.431 -7.992 675 HZ PHE 89 HZ PHE 89 18.891 5.166 -8.337 676 H GLN 90 H GLN 90 18.187 12.110 -6.955 677 HA GLN 90 HA GLN 90 17.741 14.429 -5.304 678 1HB GLN 90 1HB GLN 90 18.359 14.228 -8.263 679 2HB GLN 90 2HB GLN 90 18.504 15.670 -7.266 680 1HG GLN 90 1HG GLN 90 20.023 13.229 -6.497 681 2HG GLN 90 2HG GLN 90 20.598 14.213 -7.842 682 1HE2 GLN 90 2HE2 GLN 90 19.764 14.262 -4.428 683 2HE2 GLN 90 1HE2 GLN 90 20.762 15.608 -4.012 684 H ASN 91 H ASN 91 16.583 15.959 -7.776 685 HA ASN 91 HA ASN 91 13.831 15.571 -7.042 686 1HB ASN 91 1HB ASN 91 15.131 17.402 -9.070 687 2HB ASN 91 2HB ASN 91 13.418 17.425 -8.659 688 1HD2 ASN 91 2HD2 ASN 91 12.794 18.699 -7.061 689 2HD2 ASN 91 1HD2 ASN 91 13.834 19.442 -5.898 690 H THR 92 H THR 92 15.398 15.693 -10.256 691 HA THR 92 HA THR 92 13.268 14.171 -11.436 692 HB THR 92 HB THR 92 15.174 14.195 -13.360 693 HG1 THR 92 HG1 THR 92 16.450 15.974 -13.150 694 1HG2 THR 92 1HG2 THR 92 14.309 16.513 -13.976 695 2HG2 THR 92 2HG2 THR 92 13.136 15.200 -13.867 696 3HG2 THR 92 3HG2 THR 92 13.279 16.365 -12.552 697 H VAL 93 H VAL 93 13.127 12.036 -11.613 698 HA VAL 93 HA VAL 93 15.552 10.415 -11.151 699 HB VAL 93 HB VAL 93 12.725 9.572 -10.496 700 1HG1 VAL 93 1HG1 VAL 93 14.655 7.895 -10.963 701 2HG1 VAL 93 2HG1 VAL 93 15.216 8.373 -9.361 702 3HG1 VAL 93 3HG1 VAL 93 13.615 7.658 -9.559 703 1HG2 VAL 93 1HG2 VAL 93 13.495 11.506 -9.112 704 2HG2 VAL 93 2HG2 VAL 93 13.158 10.040 -8.191 705 3HG2 VAL 93 3HG2 VAL 93 14.825 10.498 -8.542 706 H GLU 94 H GLU 94 16.155 9.203 -12.814 707 HA GLU 94 HA GLU 94 14.237 8.708 -14.977 708 1HB GLU 94 1HB GLU 94 17.256 8.534 -14.921 709 2HB GLU 94 2HB GLU 94 16.262 8.153 -16.322 710 1HG GLU 94 1HG GLU 94 15.705 10.346 -16.700 711 2HG GLU 94 2HG GLU 94 15.976 10.816 -15.023 712 H LEU 95 H LEU 95 13.163 6.861 -14.670 713 HA LEU 95 HA LEU 95 14.577 4.532 -13.590 714 1HB LEU 95 1HB LEU 95 11.740 5.417 -13.688 715 2HB LEU 95 2HB LEU 95 12.033 3.693 -13.731 716 HG LEU 95 HG LEU 95 11.599 4.490 -11.460 717 1HD1 LEU 95 1HD1 LEU 95 13.261 2.606 -12.098 718 2HD1 LEU 95 2HD1 LEU 95 14.489 3.741 -11.536 719 3HD1 LEU 95 3HD1 LEU 95 13.218 3.202 -10.438 720 1HD2 LEU 95 1HD2 LEU 95 13.978 6.222 -12.031 721 2HD2 LEU 95 2HD2 LEU 95 12.383 6.695 -11.445 722 3HD2 LEU 95 3HD2 LEU 95 13.487 5.815 -10.388 723 H ILE 96 H ILE 96 14.494 2.511 -14.602 724 HA ILE 96 HA ILE 96 13.956 2.603 -17.500 725 HB ILE 96 HB ILE 96 15.660 0.536 -16.112 726 1HG1 ILE 96 1HG1 ILE 96 16.641 2.774 -15.712 727 2HG1 ILE 96 2HG1 ILE 96 17.645 1.791 -16.772 728 1HG2 ILE 96 1HG2 ILE 96 14.678 0.137 -18.408 729 2HG2 ILE 96 2HG2 ILE 96 15.738 1.426 -18.981 730 3HG2 ILE 96 3HG2 ILE 96 16.428 -0.032 -18.268 731 1HD1 ILE 96 1HD1 ILE 96 15.877 3.274 -18.403 732 2HD1 ILE 96 2HD1 ILE 96 16.582 4.377 -17.222 733 3HD1 ILE 96 3HD1 ILE 96 17.630 3.415 -18.264 734 H ILE 97 H ILE 97 12.268 1.430 -18.212 735 HA ILE 97 HA ILE 97 11.345 -0.835 -16.567 736 HB ILE 97 HB ILE 97 9.015 -0.250 -17.093 737 1HG1 ILE 97 1HG1 ILE 97 10.086 2.377 -18.139 738 2HG1 ILE 97 2HG1 ILE 97 9.603 1.047 -19.190 739 1HG2 ILE 97 1HG2 ILE 97 10.239 0.561 -15.033 740 2HG2 ILE 97 2HG2 ILE 97 10.374 2.122 -15.842 741 3HG2 ILE 97 3HG2 ILE 97 8.784 1.455 -15.475 742 1HD1 ILE 97 1HD1 ILE 97 7.642 1.960 -17.172 743 2HD1 ILE 97 2HD1 ILE 97 7.963 3.023 -18.542 744 3HD1 ILE 97 3HD1 ILE 97 7.394 1.376 -18.819 745 H VAL 98 H VAL 98 9.889 -2.340 -17.795 746 HA VAL 98 HA VAL 98 10.261 -2.338 -20.681 747 HB VAL 98 HB VAL 98 11.150 -4.747 -19.098 748 1HG1 VAL 98 1HG1 VAL 98 11.381 -3.988 -22.004 749 2HG1 VAL 98 2HG1 VAL 98 12.176 -5.382 -21.272 750 3HG1 VAL 98 3HG1 VAL 98 10.415 -5.290 -21.312 751 1HG2 VAL 98 1HG2 VAL 98 12.688 -2.899 -18.635 752 2HG2 VAL 98 2HG2 VAL 98 13.455 -4.141 -19.624 753 3HG2 VAL 98 3HG2 VAL 98 12.901 -2.640 -20.366 754 H ARG 99 H ARG 99 8.942 -3.855 -21.794 755 HA ARG 99 HA ARG 99 6.665 -4.840 -20.195 756 1HB ARG 99 1HB ARG 99 6.600 -4.460 -23.182 757 2HB ARG 99 2HB ARG 99 5.249 -4.561 -22.063 758 1HG ARG 99 1HG ARG 99 7.205 -2.273 -22.154 759 2HG ARG 99 2HG ARG 99 5.650 -2.289 -22.985 760 1HD ARG 99 1HD ARG 99 5.300 -2.998 -20.216 761 2HD ARG 99 2HD ARG 99 6.188 -1.482 -20.346 762 HE ARG 99 HE ARG 99 3.437 -1.836 -20.795 763 1HH1 ARG 99 1HH1 ARG 99 6.179 -0.147 -22.201 764 2HH1 ARG 99 2HH1 ARG 99 5.201 1.113 -22.877 765 1HH2 ARG 99 1HH2 ARG 99 2.180 -0.171 -21.689 766 2HH2 ARG 99 2HH2 ARG 99 2.942 1.100 -22.587 767 H GLU 100 H GLU 100 6.850 -6.981 -19.806 768 HA GLU 100 HA GLU 100 8.643 -8.705 -21.019 769 1HB GLU 100 1HB GLU 100 6.056 -9.278 -19.569 770 2HB GLU 100 2HB GLU 100 7.210 -10.525 -20.025 771 1HG GLU 100 1HG GLU 100 8.929 -9.161 -18.719 772 2HG GLU 100 2HG GLU 100 7.544 -8.301 -18.046 773 H VAL 101 H VAL 101 8.652 -10.036 -22.720 774 HA VAL 101 HA VAL 101 6.196 -10.577 -24.196 775 HB VAL 101 HB VAL 101 7.314 -10.008 -26.366 776 1HG1 VAL 101 1HG1 VAL 101 5.634 -8.542 -25.332 777 2HG1 VAL 101 2HG1 VAL 101 6.920 -7.686 -24.482 778 3HG1 VAL 101 3HG1 VAL 101 6.840 -7.631 -26.244 779 1HG2 VAL 101 1HG2 VAL 101 9.358 -8.872 -24.486 780 2HG2 VAL 101 2HG2 VAL 101 9.598 -9.931 -25.875 781 3HG2 VAL 101 3HG2 VAL 101 9.155 -8.242 -26.121 782 H SER 102 H SER 102 6.178 -12.723 -24.392 783 HA SER 102 HA SER 102 8.723 -14.161 -24.632 784 1HB SER 102 1HB SER 102 6.013 -14.863 -23.612 785 2HB SER 102 2HB SER 102 6.970 -16.157 -24.334 786 HG SER 102 HG SER 102 7.875 -14.438 -22.264 787 H SER 103 H SER 103 9.079 -13.672 -26.845 788 HA SER 103 HA SER 103 7.911 -15.573 -28.634 789 1HB SER 103 1HB SER 103 7.065 -13.882 -30.271 790 2HB SER 103 2HB SER 103 6.137 -13.932 -28.773 791 HG SER 103 HG SER 103 6.671 -11.788 -29.480 792 1H THR 301 1H THR 301 -1.717 -6.524 2.255 793 2H THR 301 2H THR 301 -2.548 -7.707 3.180 794 3H THR 301 3H THR 301 -0.860 -7.478 3.393 795 HA THR 301 HA THR 301 -2.912 -5.443 3.935 796 HB THR 301 HB THR 301 -1.388 -7.156 5.905 797 HG1 THR 301 HG1 THR 301 -3.148 -8.427 6.052 798 1HG2 THR 301 1HG2 THR 301 -3.877 -5.537 6.353 799 2HG2 THR 301 2HG2 THR 301 -2.875 -6.346 7.558 800 3HG2 THR 301 3HG2 THR 301 -2.251 -4.942 6.692 801 H GLY 302 H GLY 302 -1.517 -3.944 2.845 802 1HA GLY 302 1HA GLY 302 0.012 -2.231 2.923 803 2HA GLY 302 2HA GLY 302 0.332 -2.679 4.591 804 H TRP 303 H TRP 303 0.787 -4.491 1.557 805 HA TRP 303 HA TRP 303 3.505 -5.107 2.412 806 1HB TRP 303 1HB TRP 303 3.469 -6.562 0.285 807 2HB TRP 303 2HB TRP 303 2.458 -7.053 1.637 808 HD1 TRP 303 HD1 TRP 303 -0.117 -7.191 1.234 809 HE1 TRP 303 HE1 TRP 303 -1.617 -6.903 -0.837 810 HE3 TRP 303 HE3 TRP 303 3.299 -5.126 -1.960 811 HZ2 TRP 303 HZ2 TRP 303 -1.381 -5.933 -3.474 812 HZ3 TRP 303 HZ3 TRP 303 2.581 -4.549 -4.243 813 HH2 TRP 303 HH2 TRP 303 0.287 -4.947 -4.983 814 H GLU 304 H GLU 304 1.839 -3.153 0.049 815 HA GLU 304 HA GLU 304 4.161 -2.699 -1.587 816 1HB GLU 304 1HB GLU 304 2.755 -0.930 -2.635 817 2HB GLU 304 2HB GLU 304 1.981 -2.509 -2.607 818 1HG GLU 304 1HG GLU 304 1.399 -0.790 -0.300 819 2HG GLU 304 2HG GLU 304 0.793 -0.207 -1.849 820 H THR 305 H THR 305 5.162 -0.572 -1.856 821 HA THR 305 HA THR 305 5.050 1.112 0.554 822 HB THR 305 HB THR 305 7.640 0.427 -0.831 823 HG1 THR 305 HG1 THR 305 7.141 -1.487 0.015 824 1HG2 THR 305 1HG2 THR 305 8.564 1.038 1.427 825 2HG2 THR 305 2HG2 THR 305 7.901 2.368 0.477 826 3HG2 THR 305 3HG2 THR 305 6.969 1.685 1.808 827 H TRP 306 H TRP 306 4.642 3.153 0.043 828 HA TRP 306 HA TRP 306 4.894 4.043 -2.704 829 1HB TRP 306 1HB TRP 306 3.770 5.344 -0.220 830 2HB TRP 306 2HB TRP 306 3.836 6.149 -1.786 831 HD1 TRP 306 HD1 TRP 306 2.007 3.352 0.071 832 HE1 TRP 306 HE1 TRP 306 -0.092 2.706 -1.273 833 HE3 TRP 306 HE3 TRP 306 2.864 6.105 -4.150 834 HZ2 TRP 306 HZ2 TRP 306 -1.231 3.287 -3.789 835 HZ3 TRP 306 HZ3 TRP 306 1.222 6.006 -5.980 836 HH2 TRP 306 HH2 TRP 306 -0.784 4.624 -5.801 837 H VAL 307 H VAL 307 6.675 4.957 -3.460 838 HA VAL 307 HA VAL 307 8.653 6.039 -1.613 839 HB VAL 307 HB VAL 307 10.090 6.230 -3.647 840 1HG1 VAL 307 1HG1 VAL 307 8.893 3.542 -3.005 841 2HG1 VAL 307 2HG1 VAL 307 10.358 3.769 -3.960 842 3HG1 VAL 307 3HG1 VAL 307 10.315 4.287 -2.275 843 1HG2 VAL 307 1HG2 VAL 307 8.127 6.430 -5.220 844 2HG2 VAL 307 2HG2 VAL 307 9.416 5.342 -5.737 845 3HG2 VAL 307 3HG2 VAL 307 7.927 4.686 -5.057 Start of MODEL 18 1 1H GLY 1 1H GLY 1 13.146 -3.734 -43.425 2 2H GLY 1 2H GLY 1 14.102 -2.354 -43.627 3 3H GLY 1 3H GLY 1 12.695 -2.278 -42.690 4 1HA GLY 1 1HA GLY 1 14.624 -2.339 -41.260 5 2HA GLY 1 2HA GLY 1 13.650 -3.789 -41.068 6 H SER 2 H SER 2 16.608 -3.109 -40.741 7 HA SER 2 HA SER 2 17.577 -5.623 -41.737 8 1HB SER 2 1HB SER 2 17.814 -4.165 -43.738 9 2HB SER 2 2HB SER 2 18.843 -3.085 -42.799 10 HG SER 2 HG SER 2 20.446 -4.441 -42.995 11 H HIS 3 H HIS 3 17.259 -4.315 -39.182 12 HA HIS 3 HA HIS 3 19.988 -3.727 -38.331 13 1HB HIS 3 1HB HIS 3 17.365 -3.610 -36.828 14 2HB HIS 3 2HB HIS 3 18.929 -3.160 -36.155 15 HD1 HIS 3 HD1 HIS 3 16.105 -1.823 -38.023 16 HD2 HIS 3 HD2 HIS 3 20.114 -0.856 -37.515 17 HE1 HIS 3 HE1 HIS 3 16.328 0.555 -38.813 18 HE2 HIS 3 HE2 HIS 3 18.778 1.091 -38.570 19 H MET 4 H MET 4 21.109 -4.932 -36.809 20 HA MET 4 HA MET 4 20.237 -7.712 -36.583 21 1HB MET 4 1HB MET 4 22.570 -8.106 -35.791 22 2HB MET 4 2HB MET 4 22.478 -7.414 -37.405 23 1HG MET 4 1HG MET 4 23.463 -5.488 -36.788 24 2HG MET 4 2HG MET 4 22.699 -5.480 -35.200 25 1HE MET 4 1HE MET 4 24.523 -8.353 -36.847 26 2HE MET 4 2HE MET 4 25.808 -7.213 -37.250 27 3HE MET 4 3HE MET 4 26.083 -8.457 -36.030 28 H GLY 5 H GLY 5 20.199 -8.832 -34.603 29 1HA GLY 5 1HA GLY 5 19.901 -9.113 -32.340 30 2HA GLY 5 2HA GLY 5 20.698 -7.567 -32.101 31 H HIS 6 H HIS 6 17.606 -9.078 -32.908 32 HA HIS 6 HA HIS 6 16.186 -7.259 -31.238 33 1HB HIS 6 1HB HIS 6 14.740 -6.297 -33.026 34 2HB HIS 6 2HB HIS 6 16.408 -5.742 -33.098 35 HD1 HIS 6 HD1 HIS 6 16.325 -9.063 -34.456 36 HD2 HIS 6 HD2 HIS 6 15.398 -5.268 -35.873 37 HE1 HIS 6 HE1 HIS 6 16.326 -9.260 -36.964 38 HE2 HIS 6 HE2 HIS 6 15.677 -6.974 -37.795 39 H GLU 7 H GLU 7 16.517 -10.096 -31.547 40 HA GLU 7 HA GLU 7 13.880 -10.985 -32.459 41 1HB GLU 7 1HB GLU 7 16.498 -12.347 -31.969 42 2HB GLU 7 2HB GLU 7 15.020 -13.294 -31.865 43 1HG GLU 7 1HG GLU 7 15.693 -13.584 -34.060 44 2HG GLU 7 2HG GLU 7 14.474 -12.316 -34.174 45 H LEU 8 H LEU 8 13.275 -9.616 -30.426 46 HA LEU 8 HA LEU 8 12.690 -11.529 -28.318 47 1HB LEU 8 1HB LEU 8 14.505 -9.214 -28.020 48 2HB LEU 8 2HB LEU 8 13.314 -9.406 -26.747 49 HG LEU 8 HG LEU 8 15.088 -11.681 -27.588 50 1HD1 LEU 8 1HD1 LEU 8 15.662 -9.495 -25.602 51 2HD1 LEU 8 2HD1 LEU 8 16.493 -11.050 -25.610 52 3HD1 LEU 8 3HD1 LEU 8 16.630 -9.971 -26.997 53 1HD2 LEU 8 1HD2 LEU 8 13.550 -11.046 -25.074 54 2HD2 LEU 8 2HD2 LEU 8 13.146 -12.272 -26.275 55 3HD2 LEU 8 3HD2 LEU 8 14.602 -12.444 -25.295 56 H ALA 9 H ALA 9 10.714 -11.224 -27.430 57 HA ALA 9 HA ALA 9 9.098 -9.055 -28.518 58 1HB ALA 9 1HB ALA 9 8.234 -11.342 -28.656 59 2HB ALA 9 2HB ALA 9 8.271 -11.462 -26.896 60 3HB ALA 9 3HB ALA 9 7.185 -10.314 -27.680 61 H LYS 10 H LYS 10 10.262 -7.464 -27.189 62 HA LYS 10 HA LYS 10 8.928 -7.118 -24.611 63 1HB LYS 10 1HB LYS 10 11.913 -6.752 -24.907 64 2HB LYS 10 2HB LYS 10 10.965 -6.601 -23.434 65 1HG LYS 10 1HG LYS 10 11.220 -9.173 -24.971 66 2HG LYS 10 2HG LYS 10 12.306 -8.707 -23.660 67 1HD LYS 10 1HD LYS 10 10.534 -8.712 -22.077 68 2HD LYS 10 2HD LYS 10 9.314 -8.850 -23.346 69 1HE LYS 10 1HE LYS 10 10.421 -11.066 -23.939 70 2HE LYS 10 2HE LYS 10 11.274 -10.925 -22.403 71 1HZ LYS 10 1HZ LYS 10 9.060 -10.732 -21.325 72 2HZ LYS 10 2HZ LYS 10 8.341 -11.091 -22.814 73 3HZ LYS 10 3HZ LYS 10 9.335 -12.232 -22.059 74 H GLN 11 H GLN 11 9.824 -4.838 -23.703 75 HA GLN 11 HA GLN 11 10.168 -2.912 -25.855 76 1HB GLN 11 1HB GLN 11 7.727 -3.073 -24.111 77 2HB GLN 11 2HB GLN 11 8.243 -1.542 -24.807 78 1HG GLN 11 1HG GLN 11 8.137 -2.600 -27.053 79 2HG GLN 11 2HG GLN 11 7.457 -4.036 -26.290 80 1HE2 GLN 11 2HE2 GLN 11 5.335 -4.108 -25.893 81 2HE2 GLN 11 1HE2 GLN 11 4.235 -2.799 -26.140 82 H GLU 12 H GLU 12 12.057 -2.130 -25.066 83 HA GLU 12 HA GLU 12 12.309 -1.454 -22.245 84 1HB GLU 12 1HB GLU 12 14.104 -2.535 -23.829 85 2HB GLU 12 2HB GLU 12 14.414 -0.865 -24.284 86 1HG GLU 12 1HG GLU 12 14.350 -1.607 -21.400 87 2HG GLU 12 2HG GLU 12 15.772 -1.991 -22.371 88 H ILE 13 H ILE 13 11.734 0.483 -21.510 89 HA ILE 13 HA ILE 13 12.226 2.850 -23.169 90 HB ILE 13 HB ILE 13 10.034 3.815 -22.475 91 1HG1 ILE 13 1HG1 ILE 13 9.685 2.180 -20.577 92 2HG1 ILE 13 2HG1 ILE 13 8.280 2.448 -21.598 93 1HG2 ILE 13 1HG2 ILE 13 10.486 2.818 -24.711 94 2HG2 ILE 13 2HG2 ILE 13 9.746 1.322 -24.139 95 3HG2 ILE 13 3HG2 ILE 13 8.789 2.800 -24.237 96 1HD1 ILE 13 1HD1 ILE 13 9.597 0.249 -22.712 97 2HD1 ILE 13 2HD1 ILE 13 9.646 0.005 -20.966 98 3HD1 ILE 13 3HD1 ILE 13 8.100 0.251 -21.779 99 H ARG 14 H ARG 14 12.329 4.850 -21.992 100 HA ARG 14 HA ARG 14 13.089 4.444 -19.178 101 1HB ARG 14 1HB ARG 14 14.179 6.053 -21.385 102 2HB ARG 14 2HB ARG 14 14.078 6.922 -19.859 103 1HG ARG 14 1HG ARG 14 15.172 4.276 -19.479 104 2HG ARG 14 2HG ARG 14 16.085 5.177 -20.687 105 1HD ARG 14 1HD ARG 14 15.475 6.841 -18.403 106 2HD ARG 14 2HD ARG 14 16.292 5.363 -17.903 107 HE ARG 14 HE ARG 14 18.204 6.057 -18.987 108 1HH1 ARG 14 1HH1 ARG 14 15.578 8.240 -19.811 109 2HH1 ARG 14 2HH1 ARG 14 16.632 9.413 -20.526 110 1HH2 ARG 14 1HH2 ARG 14 19.558 7.611 -19.934 111 2HH2 ARG 14 2HH2 ARG 14 18.876 9.058 -20.597 112 H VAL 15 H VAL 15 12.781 6.403 -17.756 113 HA VAL 15 HA VAL 15 10.495 8.075 -18.446 114 HB VAL 15 HB VAL 15 10.476 6.434 -15.908 115 1HG1 VAL 15 1HG1 VAL 15 8.671 8.502 -17.083 116 2HG1 VAL 15 2HG1 VAL 15 7.991 7.224 -16.076 117 3HG1 VAL 15 3HG1 VAL 15 9.220 8.303 -15.420 118 1HG2 VAL 15 1HG2 VAL 15 9.081 5.995 -18.534 119 2HG2 VAL 15 2HG2 VAL 15 10.091 4.869 -17.627 120 3HG2 VAL 15 3HG2 VAL 15 8.493 5.304 -17.022 121 H ARG 16 H ARG 16 10.255 9.919 -17.073 122 HA ARG 16 HA ARG 16 12.540 10.460 -15.295 123 1HB ARG 16 1HB ARG 16 12.242 11.638 -17.758 124 2HB ARG 16 2HB ARG 16 11.481 12.818 -16.707 125 1HG ARG 16 1HG ARG 16 14.106 11.758 -15.861 126 2HG ARG 16 2HG ARG 16 14.084 12.815 -17.271 127 1HD ARG 16 1HD ARG 16 12.771 13.539 -14.662 128 2HD ARG 16 2HD ARG 16 14.442 13.926 -15.029 129 HE ARG 16 HE ARG 16 13.743 15.464 -16.639 130 1HH1 ARG 16 1HH1 ARG 16 10.910 13.946 -15.155 131 2HH1 ARG 16 2HH1 ARG 16 9.844 15.180 -15.719 132 1HH2 ARG 16 1HH2 ARG 16 12.293 17.029 -17.355 133 2HH2 ARG 16 2HH2 ARG 16 10.613 16.907 -16.956 134 H VAL 17 H VAL 17 11.843 10.862 -13.296 135 HA VAL 17 HA VAL 17 9.244 12.219 -12.956 136 HB VAL 17 HB VAL 17 10.335 10.145 -11.052 137 1HG1 VAL 17 1HG1 VAL 17 8.764 11.827 -10.136 138 2HG1 VAL 17 2HG1 VAL 17 7.565 11.306 -11.319 139 3HG1 VAL 17 3HG1 VAL 17 8.130 10.183 -10.082 140 1HG2 VAL 17 1HG2 VAL 17 9.831 9.122 -13.242 141 2HG2 VAL 17 2HG2 VAL 17 8.744 8.569 -11.969 142 3HG2 VAL 17 3HG2 VAL 17 8.190 9.764 -13.141 143 H GLU 18 H GLU 18 9.239 13.970 -11.714 144 HA GLU 18 HA GLU 18 11.702 14.684 -10.287 145 1HB GLU 18 1HB GLU 18 9.334 16.426 -10.981 146 2HB GLU 18 2HB GLU 18 10.878 16.970 -10.343 147 1HG GLU 18 1HG GLU 18 11.777 15.771 -12.521 148 2HG GLU 18 2HG GLU 18 10.140 16.110 -13.081 149 H LYS 19 H LYS 19 11.657 15.302 -8.091 150 HA LYS 19 HA LYS 19 9.462 14.150 -6.585 151 1HB LYS 19 1HB LYS 19 12.144 14.191 -6.179 152 2HB LYS 19 2HB LYS 19 11.657 15.540 -5.163 153 1HG LYS 19 1HG LYS 19 11.709 13.613 -3.794 154 2HG LYS 19 2HG LYS 19 10.009 13.997 -4.074 155 1HD LYS 19 1HD LYS 19 10.167 11.667 -4.351 156 2HD LYS 19 2HD LYS 19 10.110 12.322 -5.989 157 1HE LYS 19 1HE LYS 19 11.815 10.715 -6.050 158 2HE LYS 19 2HE LYS 19 12.660 12.257 -5.919 159 1HZ LYS 19 1HZ LYS 19 12.060 10.480 -3.618 160 2HZ LYS 19 2HZ LYS 19 13.542 10.518 -4.433 161 3HZ LYS 19 3HZ LYS 19 13.003 11.884 -3.594 162 H ASP 20 H ASP 20 7.904 15.787 -7.342 163 HA ASP 20 HA ASP 20 7.937 18.111 -5.560 164 1HB ASP 20 1HB ASP 20 8.790 18.766 -7.840 165 2HB ASP 20 2HB ASP 20 7.208 18.339 -8.484 166 HA PRO 21 HA PRO 21 7.148 17.662 -3.764 167 1HB PRO 21 1HB PRO 21 5.408 16.130 -2.069 168 2HB PRO 21 2HB PRO 21 5.658 17.875 -2.080 169 1HG PRO 21 1HG PRO 21 3.310 16.618 -2.806 170 2HG PRO 21 2HG PRO 21 3.779 18.253 -3.302 171 1HD PRO 21 1HD PRO 21 3.971 15.682 -4.821 172 2HD PRO 21 2HD PRO 21 3.524 17.303 -5.393 173 H GLU 22 H GLU 22 5.652 14.619 -4.769 174 HA GLU 22 HA GLU 22 8.155 13.241 -4.111 175 1HB GLU 22 1HB GLU 22 5.390 12.277 -3.363 176 2HB GLU 22 2HB GLU 22 6.844 11.289 -3.270 177 1HG GLU 22 1HG GLU 22 7.779 13.097 -1.747 178 2HG GLU 22 2HG GLU 22 6.129 13.713 -1.657 179 H LEU 23 H LEU 23 7.830 10.800 -4.958 180 HA LEU 23 HA LEU 23 7.789 10.985 -7.762 181 1HB LEU 23 1HB LEU 23 7.626 8.580 -5.947 182 2HB LEU 23 2HB LEU 23 7.827 8.482 -7.689 183 HG LEU 23 HG LEU 23 9.867 10.195 -6.943 184 1HD1 LEU 23 1HD1 LEU 23 9.627 8.037 -4.855 185 2HD1 LEU 23 2HD1 LEU 23 11.043 9.058 -5.113 186 3HD1 LEU 23 3HD1 LEU 23 9.520 9.777 -4.587 187 1HD2 LEU 23 1HD2 LEU 23 10.040 8.384 -8.571 188 2HD2 LEU 23 2HD2 LEU 23 11.360 8.318 -7.403 189 3HD2 LEU 23 3HD2 LEU 23 10.005 7.199 -7.265 190 H GLY 24 H GLY 24 5.521 9.180 -5.661 191 1HA GLY 24 1HA GLY 24 3.144 9.440 -5.842 192 2HA GLY 24 2HA GLY 24 3.359 9.932 -7.510 193 H PHE 25 H PHE 25 4.853 7.081 -6.032 194 HA PHE 25 HA PHE 25 2.870 5.277 -7.019 195 1HB PHE 25 1HB PHE 25 4.166 4.180 -8.751 196 2HB PHE 25 2HB PHE 25 3.984 5.885 -9.144 197 HD1 PHE 25 HD1 PHE 25 6.345 3.364 -7.830 198 HD2 PHE 25 HD2 PHE 25 5.862 7.269 -9.453 199 HE1 PHE 25 HE1 PHE 25 8.783 3.549 -8.099 200 HE2 PHE 25 HE2 PHE 25 8.302 7.461 -9.724 201 HZ PHE 25 HZ PHE 25 9.764 5.600 -9.047 202 H SER 26 H SER 26 3.136 3.180 -6.277 203 HA SER 26 HA SER 26 5.215 2.874 -4.231 204 1HB SER 26 1HB SER 26 3.699 0.885 -3.561 205 2HB SER 26 2HB SER 26 3.108 2.518 -3.252 206 HG SER 26 HG SER 26 1.718 0.828 -4.407 207 H ILE 27 H ILE 27 6.439 0.960 -4.058 208 HA ILE 27 HA ILE 27 6.594 -0.621 -6.544 209 HB ILE 27 HB ILE 27 8.988 -0.944 -6.090 210 1HG1 ILE 27 1HG1 ILE 27 8.790 1.177 -3.959 211 2HG1 ILE 27 2HG1 ILE 27 8.687 -0.536 -3.562 212 1HG2 ILE 27 1HG2 ILE 27 8.262 0.888 -7.537 213 2HG2 ILE 27 2HG2 ILE 27 8.182 1.962 -6.140 214 3HG2 ILE 27 3HG2 ILE 27 9.734 1.306 -6.662 215 1HD1 ILE 27 1HD1 ILE 27 10.966 0.188 -5.253 216 2HD1 ILE 27 2HD1 ILE 27 10.979 0.903 -3.640 217 3HD1 ILE 27 3HD1 ILE 27 10.887 -0.848 -3.828 218 H SER 28 H SER 28 6.960 -2.860 -6.369 219 HA SER 28 HA SER 28 6.860 -4.009 -3.669 220 1HB SER 28 1HB SER 28 5.178 -5.701 -4.576 221 2HB SER 28 2HB SER 28 4.564 -4.074 -4.285 222 HG SER 28 HG SER 28 4.855 -3.672 -6.534 223 H GLY 29 H GLY 29 7.586 -6.198 -3.525 224 1HA GLY 29 1HA GLY 29 8.392 -8.194 -4.667 225 2HA GLY 29 2HA GLY 29 9.071 -7.145 -5.898 226 H GLY 30 H GLY 30 11.051 -8.287 -5.573 227 1HA GLY 30 1HA GLY 30 13.260 -7.634 -4.824 228 2HA GLY 30 2HA GLY 30 12.559 -7.259 -3.254 229 H VAL 31 H VAL 31 14.818 -9.003 -3.822 230 HA VAL 31 HA VAL 31 13.919 -11.719 -3.582 231 HB VAL 31 HB VAL 31 16.688 -10.678 -2.965 232 1HG1 VAL 31 1HG1 VAL 31 16.182 -12.989 -2.271 233 2HG1 VAL 31 2HG1 VAL 31 15.766 -13.378 -3.939 234 3HG1 VAL 31 3HG1 VAL 31 17.417 -12.913 -3.528 235 1HG2 VAL 31 1HG2 VAL 31 15.511 -11.454 -5.632 236 2HG2 VAL 31 2HG2 VAL 31 16.141 -9.875 -5.164 237 3HG2 VAL 31 3HG2 VAL 31 17.235 -11.248 -5.324 238 H GLY 32 H GLY 32 12.715 -12.050 -1.793 239 1HA GLY 32 1HA GLY 32 12.688 -12.851 0.434 240 2HA GLY 32 2HA GLY 32 14.110 -11.881 0.775 241 H GLY 33 H GLY 33 11.759 -10.072 -0.935 242 1HA GLY 33 1HA GLY 33 11.178 -8.560 1.473 243 2HA GLY 33 2HA GLY 33 10.787 -8.093 -0.175 244 H ARG 34 H ARG 34 8.707 -7.480 0.641 245 HA ARG 34 HA ARG 34 6.927 -9.184 1.942 246 1HB ARG 34 1HB ARG 34 6.205 -6.979 0.015 247 2HB ARG 34 2HB ARG 34 5.180 -7.648 1.276 248 1HG ARG 34 1HG ARG 34 7.778 -6.529 2.135 249 2HG ARG 34 2HG ARG 34 6.566 -5.386 1.560 250 1HD ARG 34 1HD ARG 34 5.775 -5.436 3.651 251 2HD ARG 34 2HD ARG 34 5.110 -7.013 3.225 252 HE ARG 34 HE ARG 34 7.575 -7.662 4.039 253 1HH1 ARG 34 1HH1 ARG 34 5.139 -5.624 5.536 254 2HH1 ARG 34 2HH1 ARG 34 5.687 -5.960 7.144 255 1HH2 ARG 34 1HH2 ARG 34 8.269 -8.088 6.152 256 2HH2 ARG 34 2HH2 ARG 34 7.456 -7.353 7.493 257 H GLY 35 H GLY 35 7.776 -9.029 -1.456 258 1HA GLY 35 1HA GLY 35 7.344 -11.130 -2.694 259 2HA GLY 35 2HA GLY 35 5.739 -11.117 -1.978 260 H ASN 36 H ASN 36 5.168 -11.362 -4.312 261 HA ASN 36 HA ASN 36 4.600 -8.720 -5.426 262 1HB ASN 36 1HB ASN 36 5.970 -10.940 -6.949 263 2HB ASN 36 2HB ASN 36 5.220 -9.551 -7.722 264 1HD2 ASN 36 2HD2 ASN 36 8.000 -10.792 -6.287 265 2HD2 ASN 36 1HD2 ASN 36 8.924 -9.334 -6.231 266 HA PRO 37 HA PRO 37 0.874 -11.147 -6.147 267 1HB PRO 37 1HB PRO 37 -0.857 -9.099 -6.408 268 2HB PRO 37 2HB PRO 37 -0.191 -9.585 -4.848 269 1HG PRO 37 1HG PRO 37 0.378 -7.196 -6.457 270 2HG PRO 37 2HG PRO 37 0.647 -7.479 -4.731 271 1HD PRO 37 1HD PRO 37 2.552 -7.640 -6.899 272 2HD PRO 37 2HD PRO 37 2.841 -7.826 -5.159 273 H PHE 38 H PHE 38 2.731 -10.179 -8.416 274 HA PHE 38 HA PHE 38 0.691 -10.251 -10.547 275 1HB PHE 38 1HB PHE 38 3.273 -8.688 -10.447 276 2HB PHE 38 2HB PHE 38 2.383 -8.971 -11.939 277 HD1 PHE 38 HD1 PHE 38 0.162 -7.969 -12.265 278 HD2 PHE 38 HD2 PHE 38 2.535 -7.097 -8.842 279 HE1 PHE 38 HE1 PHE 38 -1.233 -5.995 -11.805 280 HE2 PHE 38 HE2 PHE 38 1.143 -5.122 -8.375 281 HZ PHE 38 HZ PHE 38 -0.744 -4.569 -9.859 282 H ARG 39 H ARG 39 4.105 -10.916 -9.787 283 HA ARG 39 HA ARG 39 4.021 -13.166 -11.696 284 1HB ARG 39 1HB ARG 39 6.306 -11.399 -10.822 285 2HB ARG 39 2HB ARG 39 6.558 -12.922 -11.664 286 1HG ARG 39 1HG ARG 39 4.802 -10.773 -12.795 287 2HG ARG 39 2HG ARG 39 6.547 -10.779 -13.048 288 1HD ARG 39 1HD ARG 39 5.967 -11.978 -14.880 289 2HD ARG 39 2HD ARG 39 6.013 -13.310 -13.725 290 HE ARG 39 HE ARG 39 3.444 -12.017 -13.960 291 1HH1 ARG 39 1HH1 ARG 39 5.499 -14.581 -15.195 292 2HH1 ARG 39 2HH1 ARG 39 4.170 -15.504 -15.813 293 1HH2 ARG 39 1HH2 ARG 39 1.718 -13.244 -14.777 294 2HH2 ARG 39 2HH2 ARG 39 2.033 -14.748 -15.577 295 HA PRO 40 HA PRO 40 4.663 -15.550 -7.948 296 1HB PRO 40 1HB PRO 40 4.505 -18.016 -8.950 297 2HB PRO 40 2HB PRO 40 3.090 -16.960 -8.887 298 1HG PRO 40 1HG PRO 40 4.840 -17.648 -11.203 299 2HG PRO 40 2HG PRO 40 3.083 -17.430 -11.150 300 1HD PRO 40 1HD PRO 40 4.922 -15.517 -12.000 301 2HD PRO 40 2HD PRO 40 3.251 -15.187 -11.505 302 H ASP 41 H ASP 41 6.497 -16.561 -10.844 303 HA ASP 41 HA ASP 41 8.624 -17.609 -9.169 304 1HB ASP 41 1HB ASP 41 8.167 -17.603 -12.146 305 2HB ASP 41 2HB ASP 41 9.641 -18.226 -11.408 306 H ASP 42 H ASP 42 7.944 -14.529 -10.341 307 HA ASP 42 HA ASP 42 10.804 -13.874 -10.604 308 1HB ASP 42 1HB ASP 42 8.985 -13.319 -12.441 309 2HB ASP 42 2HB ASP 42 8.654 -11.948 -11.387 310 H ASP 43 H ASP 43 11.736 -12.769 -9.001 311 HA ASP 43 HA ASP 43 9.996 -11.459 -7.019 312 1HB ASP 43 1HB ASP 43 11.906 -11.753 -5.447 313 2HB ASP 43 2HB ASP 43 11.265 -13.276 -6.058 314 H GLY 44 H GLY 44 10.903 -10.192 -9.496 315 1HA GLY 44 1HA GLY 44 13.023 -8.364 -8.825 316 2HA GLY 44 2HA GLY 44 11.988 -8.285 -10.245 317 H ILE 45 H ILE 45 11.578 -6.073 -10.100 318 HA ILE 45 HA ILE 45 9.896 -5.276 -7.808 319 HB ILE 45 HB ILE 45 11.593 -3.306 -9.331 320 1HG1 ILE 45 1HG1 ILE 45 13.119 -4.930 -8.290 321 2HG1 ILE 45 2HG1 ILE 45 13.208 -3.369 -7.481 322 1HG2 ILE 45 1HG2 ILE 45 9.684 -2.423 -8.104 323 2HG2 ILE 45 2HG2 ILE 45 10.267 -3.195 -6.629 324 3HG2 ILE 45 3HG2 ILE 45 11.203 -1.900 -7.376 325 1HD1 ILE 45 1HD1 ILE 45 11.449 -4.441 -5.876 326 2HD1 ILE 45 2HD1 ILE 45 12.108 -5.951 -6.504 327 3HD1 ILE 45 3HD1 ILE 45 13.167 -4.793 -5.698 328 H PHE 46 H PHE 46 7.972 -4.343 -8.285 329 HA PHE 46 HA PHE 46 7.454 -3.565 -11.079 330 1HB PHE 46 1HB PHE 46 5.564 -5.190 -9.360 331 2HB PHE 46 2HB PHE 46 5.297 -4.690 -11.028 332 HD1 PHE 46 HD1 PHE 46 7.727 -6.618 -8.955 333 HD2 PHE 46 HD2 PHE 46 5.799 -6.165 -12.724 334 HE1 PHE 46 HE1 PHE 46 8.792 -8.690 -9.748 335 HE2 PHE 46 HE2 PHE 46 6.862 -8.235 -13.521 336 HZ PHE 46 HZ PHE 46 8.361 -9.500 -12.032 337 H VAL 47 H VAL 47 5.793 -2.012 -11.378 338 HA VAL 47 HA VAL 47 5.378 -0.317 -9.026 339 HB VAL 47 HB VAL 47 4.818 0.364 -11.919 340 1HG1 VAL 47 1HG1 VAL 47 3.635 1.748 -10.282 341 2HG1 VAL 47 2HG1 VAL 47 5.167 2.121 -9.492 342 3HG1 VAL 47 3HG1 VAL 47 4.868 2.674 -11.140 343 1HG2 VAL 47 1HG2 VAL 47 7.234 -0.228 -11.373 344 2HG2 VAL 47 2HG2 VAL 47 6.947 1.358 -12.089 345 3HG2 VAL 47 3HG2 VAL 47 7.243 1.214 -10.356 346 H THR 48 H THR 48 3.789 -1.897 -8.244 347 HA THR 48 HA THR 48 1.539 -2.915 -9.151 348 HB THR 48 HB THR 48 2.123 -3.063 -6.828 349 HG1 THR 48 HG1 THR 48 0.004 -3.527 -7.116 350 1HG2 THR 48 1HG2 THR 48 1.024 -0.318 -6.350 351 2HG2 THR 48 2HG2 THR 48 1.893 -1.370 -5.233 352 3HG2 THR 48 3HG2 THR 48 2.747 -0.617 -6.580 353 H ARG 49 H ARG 49 1.483 0.560 -8.148 354 HA ARG 49 HA ARG 49 -0.442 1.129 -10.209 355 1HB ARG 49 1HB ARG 49 -2.257 1.861 -8.751 356 2HB ARG 49 2HB ARG 49 -1.914 0.153 -8.516 357 1HG ARG 49 1HG ARG 49 -1.341 0.436 -6.375 358 2HG ARG 49 2HG ARG 49 -0.432 1.908 -6.712 359 1HD ARG 49 1HD ARG 49 -2.075 3.009 -5.686 360 2HD ARG 49 2HD ARG 49 -3.067 2.663 -7.099 361 HE ARG 49 HE ARG 49 -3.233 1.420 -4.490 362 1HH1 ARG 49 1HH1 ARG 49 -4.132 1.168 -7.874 363 2HH1 ARG 49 2HH1 ARG 49 -5.479 0.127 -7.554 364 1HH2 ARG 49 1HH2 ARG 49 -4.997 0.049 -4.099 365 2HH2 ARG 49 2HH2 ARG 49 -5.967 -0.506 -5.422 366 H VAL 50 H VAL 50 -1.428 3.461 -9.686 367 HA VAL 50 HA VAL 50 0.706 5.201 -8.650 368 HB VAL 50 HB VAL 50 -0.782 5.772 -11.218 369 1HG1 VAL 50 1HG1 VAL 50 0.033 7.727 -9.963 370 2HG1 VAL 50 2HG1 VAL 50 1.667 7.066 -10.028 371 3HG1 VAL 50 3HG1 VAL 50 0.845 7.536 -11.516 372 1HG2 VAL 50 1HG2 VAL 50 0.649 3.835 -11.561 373 2HG2 VAL 50 2HG2 VAL 50 1.306 5.243 -12.394 374 3HG2 VAL 50 3HG2 VAL 50 2.019 4.706 -10.874 375 H GLN 51 H GLN 51 -0.024 7.256 -7.877 376 HA GLN 51 HA GLN 51 -2.903 7.299 -7.292 377 1HB GLN 51 1HB GLN 51 -0.494 8.160 -5.789 378 2HB GLN 51 2HB GLN 51 -1.959 9.109 -5.564 379 1HG GLN 51 1HG GLN 51 -3.149 7.265 -4.720 380 2HG GLN 51 2HG GLN 51 -1.927 6.122 -5.282 381 1HE2 GLN 51 2HE2 GLN 51 -3.065 6.610 -2.601 382 2HE2 GLN 51 1HE2 GLN 51 -1.710 6.915 -1.575 383 HA PRO 52 HA PRO 52 -2.356 11.801 -8.664 384 1HB PRO 52 1HB PRO 52 0.024 12.960 -9.006 385 2HB PRO 52 2HB PRO 52 -0.662 12.742 -7.391 386 1HG PRO 52 1HG PRO 52 1.409 11.100 -8.801 387 2HG PRO 52 2HG PRO 52 1.396 11.680 -7.126 388 1HD PRO 52 1HD PRO 52 0.657 9.147 -7.853 389 2HD PRO 52 2HD PRO 52 0.029 9.979 -6.417 390 H GLU 53 H GLU 53 -3.065 11.808 -10.712 391 HA GLU 53 HA GLU 53 -1.681 10.433 -12.804 392 1HB GLU 53 1HB GLU 53 -3.509 11.341 -14.249 393 2HB GLU 53 2HB GLU 53 -4.082 10.450 -12.847 394 1HG GLU 53 1HG GLU 53 -4.855 12.347 -11.787 395 2HG GLU 53 2HG GLU 53 -3.805 13.417 -12.715 396 H GLY 54 H GLY 54 0.341 11.784 -12.363 397 1HA GLY 54 1HA GLY 54 0.543 13.758 -14.459 398 2HA GLY 54 2HA GLY 54 0.714 14.429 -12.848 399 HA PRO 55 HA PRO 55 5.002 13.443 -12.618 400 1HB PRO 55 1HB PRO 55 5.322 11.681 -10.508 401 2HB PRO 55 2HB PRO 55 5.183 13.435 -10.356 402 1HG PRO 55 1HG PRO 55 3.086 11.330 -10.015 403 2HG PRO 55 2HG PRO 55 3.373 12.795 -9.056 404 1HD PRO 55 1HD PRO 55 1.406 12.687 -10.868 405 2HD PRO 55 2HD PRO 55 2.350 14.170 -10.624 406 H ALA 56 H ALA 56 4.003 10.231 -11.444 407 HA ALA 56 HA ALA 56 5.284 9.068 -13.828 408 1HB ALA 56 1HB ALA 56 6.134 8.768 -11.293 409 2HB ALA 56 2HB ALA 56 5.029 7.399 -11.407 410 3HB ALA 56 3HB ALA 56 6.365 7.551 -12.548 411 H SER 57 H SER 57 2.734 9.716 -14.209 412 HA SER 57 HA SER 57 1.214 7.214 -13.859 413 1HB SER 57 1HB SER 57 0.244 9.295 -12.820 414 2HB SER 57 2HB SER 57 0.080 9.954 -14.447 415 HG SER 57 HG SER 57 -1.358 8.332 -14.945 416 H LYS 58 H LYS 58 1.303 9.978 -16.109 417 HA LYS 58 HA LYS 58 0.377 8.420 -18.281 418 1HB LYS 58 1HB LYS 58 1.351 10.424 -19.681 419 2HB LYS 58 2HB LYS 58 -0.116 10.603 -18.742 420 1HG LYS 58 1HG LYS 58 1.261 12.557 -18.519 421 2HG LYS 58 2HG LYS 58 1.181 11.736 -16.972 422 1HD LYS 58 1HD LYS 58 3.427 12.272 -17.147 423 2HD LYS 58 2HD LYS 58 3.397 10.615 -17.750 424 1HE LYS 58 1HE LYS 58 4.757 12.020 -19.193 425 2HE LYS 58 2HE LYS 58 3.321 11.463 -20.050 426 1HZ LYS 58 1HZ LYS 58 3.428 14.102 -18.713 427 2HZ LYS 58 2HZ LYS 58 3.938 13.885 -20.311 428 3HZ LYS 58 3HZ LYS 58 2.333 13.566 -19.886 429 H LEU 59 H LEU 59 3.483 8.571 -16.846 430 HA LEU 59 HA LEU 59 4.814 7.777 -19.327 431 1HB LEU 59 1HB LEU 59 5.823 8.477 -16.576 432 2HB LEU 59 2HB LEU 59 6.863 7.781 -17.806 433 HG LEU 59 HG LEU 59 5.311 10.295 -18.338 434 1HD1 LEU 59 1HD1 LEU 59 6.891 10.296 -16.235 435 2HD1 LEU 59 2HD1 LEU 59 8.150 10.422 -17.464 436 3HD1 LEU 59 3HD1 LEU 59 6.882 11.644 -17.372 437 1HD2 LEU 59 1HD2 LEU 59 6.343 9.030 -20.211 438 2HD2 LEU 59 2HD2 LEU 59 6.988 10.660 -20.014 439 3HD2 LEU 59 3HD2 LEU 59 7.917 9.272 -19.451 440 H LEU 60 H LEU 60 4.502 6.602 -15.975 441 HA LEU 60 HA LEU 60 5.320 3.932 -16.813 442 1HB LEU 60 1HB LEU 60 4.701 5.089 -14.096 443 2HB LEU 60 2HB LEU 60 5.186 3.426 -14.370 444 HG LEU 60 HG LEU 60 6.906 5.753 -15.200 445 1HD1 LEU 60 1HD1 LEU 60 6.281 5.547 -12.667 446 2HD1 LEU 60 2HD1 LEU 60 7.417 4.197 -12.708 447 3HD1 LEU 60 3HD1 LEU 60 7.954 5.816 -13.156 448 1HD2 LEU 60 1HD2 LEU 60 7.478 2.835 -14.695 449 2HD2 LEU 60 2HD2 LEU 60 7.402 3.628 -16.268 450 3HD2 LEU 60 3HD2 LEU 60 8.676 4.055 -15.126 451 H GLN 61 H GLN 61 4.064 2.080 -16.577 452 HA GLN 61 HA GLN 61 1.183 2.542 -16.150 453 1HB GLN 61 1HB GLN 61 1.025 0.358 -17.644 454 2HB GLN 61 2HB GLN 61 1.100 1.955 -18.363 455 1HG GLN 61 1HG GLN 61 3.674 1.488 -18.434 456 2HG GLN 61 2HG GLN 61 3.164 -0.196 -18.297 457 1HE2 GLN 61 2HE2 GLN 61 3.015 -1.170 -20.184 458 2HE2 GLN 61 1HE2 GLN 61 2.538 -0.442 -21.676 459 HA PRO 62 HA PRO 62 1.479 -0.183 -12.657 460 1HB PRO 62 1HB PRO 62 -1.209 -1.152 -13.501 461 2HB PRO 62 2HB PRO 62 -0.665 -0.557 -11.929 462 1HG PRO 62 1HG PRO 62 -2.161 0.975 -13.493 463 2HG PRO 62 2HG PRO 62 -0.811 1.671 -12.575 464 1HD PRO 62 1HD PRO 62 -0.979 0.995 -15.482 465 2HD PRO 62 2HD PRO 62 -0.199 2.379 -14.689 466 H GLY 63 H GLY 63 2.448 -2.065 -12.403 467 1HA GLY 63 1HA GLY 63 2.599 -4.418 -12.567 468 2HA GLY 63 2HA GLY 63 1.675 -4.352 -14.055 469 H ASP 64 H ASP 64 4.266 -2.086 -13.863 470 HA ASP 64 HA ASP 64 5.637 -3.446 -16.000 471 1HB ASP 64 1HB ASP 64 7.000 -1.425 -16.110 472 2HB ASP 64 2HB ASP 64 5.300 -0.995 -15.984 473 H LYS 65 H LYS 65 8.282 -2.862 -15.611 474 HA LYS 65 HA LYS 65 9.075 -4.121 -13.091 475 1HB LYS 65 1HB LYS 65 8.869 -5.871 -14.899 476 2HB LYS 65 2HB LYS 65 10.149 -5.034 -15.765 477 1HG LYS 65 1HG LYS 65 11.717 -5.476 -14.011 478 2HG LYS 65 2HG LYS 65 10.445 -6.134 -12.980 479 1HD LYS 65 1HD LYS 65 10.074 -7.911 -14.693 480 2HD LYS 65 2HD LYS 65 11.481 -7.298 -15.563 481 1HE LYS 65 1HE LYS 65 12.299 -9.084 -14.282 482 2HE LYS 65 2HE LYS 65 12.767 -7.637 -13.390 483 1HZ LYS 65 1HZ LYS 65 10.394 -9.319 -12.790 484 2HZ LYS 65 2HZ LYS 65 11.858 -9.363 -11.943 485 3HZ LYS 65 3HZ LYS 65 10.902 -7.966 -11.912 486 H ILE 66 H ILE 66 10.675 -3.006 -12.178 487 HA ILE 66 HA ILE 66 12.045 -0.963 -13.728 488 HB ILE 66 HB ILE 66 12.330 -1.541 -10.776 489 1HG1 ILE 66 1HG1 ILE 66 10.527 0.523 -12.049 490 2HG1 ILE 66 2HG1 ILE 66 9.958 -1.062 -11.535 491 1HG2 ILE 66 1HG2 ILE 66 14.111 -0.177 -11.744 492 2HG2 ILE 66 2HG2 ILE 66 12.910 0.936 -12.397 493 3HG2 ILE 66 3HG2 ILE 66 13.104 0.772 -10.652 494 1HD1 ILE 66 1HD1 ILE 66 10.921 -0.434 -9.242 495 2HD1 ILE 66 2HD1 ILE 66 10.940 1.215 -9.867 496 3HD1 ILE 66 3HD1 ILE 66 9.418 0.329 -9.762 497 H ILE 67 H ILE 67 13.864 -1.440 -14.748 498 HA ILE 67 HA ILE 67 15.488 -3.689 -13.849 499 HB ILE 67 HB ILE 67 15.917 -2.033 -16.332 500 1HG1 ILE 67 1HG1 ILE 67 13.644 -2.946 -16.387 501 2HG1 ILE 67 2HG1 ILE 67 14.671 -3.778 -17.550 502 1HG2 ILE 67 1HG2 ILE 67 17.798 -3.430 -15.597 503 2HG2 ILE 67 2HG2 ILE 67 16.750 -4.847 -15.641 504 3HG2 ILE 67 3HG2 ILE 67 17.124 -3.980 -17.131 505 1HD1 ILE 67 1HD1 ILE 67 14.115 -4.863 -14.808 506 2HD1 ILE 67 2HD1 ILE 67 13.106 -5.220 -16.211 507 3HD1 ILE 67 3HD1 ILE 67 14.803 -5.703 -16.198 508 H GLN 68 H GLN 68 15.787 -0.186 -14.352 509 HA GLN 68 HA GLN 68 18.120 -0.187 -12.612 510 1HB GLN 68 1HB GLN 68 18.817 -0.485 -15.082 511 2HB GLN 68 2HB GLN 68 18.357 1.202 -15.264 512 1HG GLN 68 1HG GLN 68 19.999 1.057 -12.982 513 2HG GLN 68 2HG GLN 68 20.777 0.084 -14.228 514 1HE2 GLN 68 2HE2 GLN 68 18.913 3.107 -14.258 515 2HE2 GLN 68 1HE2 GLN 68 20.101 4.032 -15.104 516 H ALA 69 H ALA 69 18.637 1.824 -11.720 517 HA ALA 69 HA ALA 69 16.940 4.111 -12.356 518 1HB ALA 69 1HB ALA 69 15.757 2.798 -10.597 519 2HB ALA 69 2HB ALA 69 17.140 3.060 -9.535 520 3HB ALA 69 3HB ALA 69 16.187 4.433 -10.099 521 H ASN 70 H ASN 70 18.149 5.895 -12.420 522 HA ASN 70 HA ASN 70 20.006 7.241 -12.338 523 1HB ASN 70 1HB ASN 70 19.606 6.493 -9.444 524 2HB ASN 70 2HB ASN 70 20.659 7.800 -9.981 525 1HD2 ASN 70 2HD2 ASN 70 19.651 9.597 -9.392 526 2HD2 ASN 70 1HD2 ASN 70 18.016 10.004 -9.778 527 H GLY 71 H GLY 71 20.734 4.450 -12.886 528 1HA GLY 71 1HA GLY 71 22.925 3.700 -13.413 529 2HA GLY 71 2HA GLY 71 23.546 4.649 -12.077 530 H TYR 72 H TYR 72 20.988 3.142 -10.702 531 HA TYR 72 HA TYR 72 22.676 0.940 -9.760 532 1HB TYR 72 1HB TYR 72 20.393 2.469 -8.555 533 2HB TYR 72 2HB TYR 72 20.779 0.857 -7.960 534 HD1 TYR 72 HD1 TYR 72 23.001 0.426 -6.926 535 HD2 TYR 72 HD2 TYR 72 21.746 4.348 -7.998 536 HE1 TYR 72 HE1 TYR 72 24.745 1.375 -5.474 537 HE2 TYR 72 HE2 TYR 72 23.488 5.307 -6.550 538 HH TYR 72 HH TYR 72 26.060 3.649 -5.420 539 H SER 73 H SER 73 22.254 -1.066 -10.410 540 HA SER 73 HA SER 73 20.016 -1.661 -12.071 541 1HB SER 73 1HB SER 73 21.871 -3.657 -10.761 542 2HB SER 73 2HB SER 73 20.933 -3.871 -12.238 543 HG SER 73 HG SER 73 23.329 -2.539 -11.827 544 H PHE 74 H PHE 74 18.049 -2.347 -11.524 545 HA PHE 74 HA PHE 74 17.544 -3.026 -8.721 546 1HB PHE 74 1HB PHE 74 15.923 -1.853 -10.918 547 2HB PHE 74 2HB PHE 74 15.073 -2.819 -9.716 548 HD1 PHE 74 HD1 PHE 74 17.896 -0.389 -9.492 549 HD2 PHE 74 HD2 PHE 74 13.960 -1.443 -8.262 550 HE1 PHE 74 HE1 PHE 74 17.856 1.546 -7.972 551 HE2 PHE 74 HE2 PHE 74 13.914 0.491 -6.741 552 HZ PHE 74 HZ PHE 74 15.864 1.987 -6.594 553 H ILE 75 H ILE 75 18.339 -4.843 -11.316 554 HA ILE 75 HA ILE 75 16.211 -6.792 -11.163 555 HB ILE 75 HB ILE 75 17.353 -6.365 -13.309 556 1HG1 ILE 75 1HG1 ILE 75 17.891 -8.817 -13.822 557 2HG1 ILE 75 2HG1 ILE 75 17.529 -9.131 -12.127 558 1HG2 ILE 75 1HG2 ILE 75 19.616 -5.962 -12.376 559 2HG2 ILE 75 2HG2 ILE 75 19.768 -7.696 -12.094 560 3HG2 ILE 75 3HG2 ILE 75 19.602 -7.083 -13.739 561 1HD1 ILE 75 1HD1 ILE 75 15.615 -7.832 -14.049 562 2HD1 ILE 75 2HD1 ILE 75 15.640 -9.556 -13.675 563 3HD1 ILE 75 3HD1 ILE 75 15.277 -8.384 -12.407 564 H ASN 76 H ASN 76 16.098 -8.324 -9.651 565 HA ASN 76 HA ASN 76 16.652 -9.828 -8.047 566 1HB ASN 76 1HB ASN 76 19.103 -9.848 -9.760 567 2HB ASN 76 2HB ASN 76 19.152 -10.673 -8.203 568 1HD2 ASN 76 2HD2 ASN 76 16.693 -10.327 -10.745 569 2HD2 ASN 76 1HD2 ASN 76 16.405 -12.021 -10.930 570 H ILE 77 H ILE 77 16.350 -8.003 -6.592 571 HA ILE 77 HA ILE 77 18.697 -7.644 -4.920 572 HB ILE 77 HB ILE 77 18.324 -5.192 -4.710 573 1HG1 ILE 77 1HG1 ILE 77 16.862 -5.269 -7.324 574 2HG1 ILE 77 2HG1 ILE 77 15.964 -5.471 -5.821 575 1HG2 ILE 77 1HG2 ILE 77 20.125 -6.137 -6.095 576 2HG2 ILE 77 2HG2 ILE 77 19.048 -6.101 -7.490 577 3HG2 ILE 77 3HG2 ILE 77 19.537 -4.595 -6.717 578 1HD1 ILE 77 1HD1 ILE 77 17.751 -3.132 -6.441 579 2HD1 ILE 77 2HD1 ILE 77 16.000 -3.149 -6.653 580 3HD1 ILE 77 3HD1 ILE 77 16.694 -3.322 -5.041 581 H GLU 78 H GLU 78 18.110 -6.577 -2.824 582 HA GLU 78 HA GLU 78 15.675 -7.745 -1.839 583 1HB GLU 78 1HB GLU 78 17.779 -6.068 -0.464 584 2HB GLU 78 2HB GLU 78 16.440 -6.860 0.355 585 1HG GLU 78 1HG GLU 78 18.103 -8.385 0.689 586 2HG GLU 78 2HG GLU 78 17.392 -9.001 -0.802 587 H HIS 79 H HIS 79 13.945 -6.696 -0.876 588 HA HIS 79 HA HIS 79 12.875 -4.496 -2.161 589 1HB HIS 79 1HB HIS 79 11.675 -6.205 -0.721 590 2HB HIS 79 2HB HIS 79 12.185 -5.256 0.673 591 HD1 HIS 79 HD1 HIS 79 9.834 -5.210 -2.229 592 HD2 HIS 79 HD2 HIS 79 10.834 -2.828 1.026 593 HE1 HIS 79 HE1 HIS 79 8.025 -3.469 -2.088 594 HE2 HIS 79 HE2 HIS 79 8.608 -2.089 -0.063 595 H GLY 80 H GLY 80 14.301 -4.516 1.119 596 1HA GLY 80 1HA GLY 80 14.023 -1.809 1.688 597 2HA GLY 80 2HA GLY 80 15.273 -2.842 2.358 598 H GLN 81 H GLN 81 16.357 -3.368 -0.374 599 HA GLN 81 HA GLN 81 18.204 -1.187 -0.439 600 1HB GLN 81 1HB GLN 81 18.393 -3.775 -1.150 601 2HB GLN 81 2HB GLN 81 18.065 -3.073 -2.729 602 1HG GLN 81 1HG GLN 81 20.353 -3.039 -2.678 603 2HG GLN 81 2HG GLN 81 19.968 -1.422 -2.088 604 1HE2 GLN 81 2HE2 GLN 81 20.180 -0.982 0.137 605 2HE2 GLN 81 1HE2 GLN 81 21.192 -1.948 1.149 606 H ALA 82 H ALA 82 15.486 -2.239 -2.416 607 HA ALA 82 HA ALA 82 15.840 -0.375 -4.513 608 1HB ALA 82 1HB ALA 82 13.352 -1.804 -3.591 609 2HB ALA 82 2HB ALA 82 13.519 -0.931 -5.114 610 3HB ALA 82 3HB ALA 82 14.497 -2.366 -4.808 611 H VAL 83 H VAL 83 13.513 -0.353 -1.798 612 HA VAL 83 HA VAL 83 12.409 2.156 -2.311 613 HB VAL 83 HB VAL 83 12.751 0.983 0.450 614 1HG1 VAL 83 1HG1 VAL 83 11.895 3.304 0.286 615 2HG1 VAL 83 2HG1 VAL 83 10.553 2.706 -0.689 616 3HG1 VAL 83 3HG1 VAL 83 10.732 2.178 0.985 617 1HG2 VAL 83 1HG2 VAL 83 10.833 0.254 -1.743 618 2HG2 VAL 83 2HG2 VAL 83 11.833 -0.807 -0.750 619 3HG2 VAL 83 3HG2 VAL 83 10.435 0.003 -0.042 620 H SER 84 H SER 84 15.174 1.293 -0.258 621 HA SER 84 HA SER 84 15.638 3.828 0.833 622 1HB SER 84 1HB SER 84 16.679 1.752 1.673 623 2HB SER 84 2HB SER 84 17.673 1.675 0.219 624 HG SER 84 HG SER 84 17.739 3.590 2.297 625 H LEU 85 H LEU 85 16.773 2.380 -2.185 626 HA LEU 85 HA LEU 85 18.595 4.437 -2.861 627 1HB LEU 85 1HB LEU 85 17.211 2.277 -4.405 628 2HB LEU 85 2HB LEU 85 18.168 3.487 -5.239 629 HG LEU 85 HG LEU 85 19.206 1.656 -3.075 630 1HD1 LEU 85 1HD1 LEU 85 19.545 1.565 -6.068 631 2HD1 LEU 85 2HD1 LEU 85 20.423 0.562 -4.912 632 3HD1 LEU 85 3HD1 LEU 85 18.673 0.400 -5.072 633 1HD2 LEU 85 1HD2 LEU 85 20.534 3.712 -4.828 634 2HD2 LEU 85 2HD2 LEU 85 20.455 3.682 -3.067 635 3HD2 LEU 85 3HD2 LEU 85 21.417 2.479 -3.928 636 H LEU 86 H LEU 86 15.202 3.887 -3.733 637 HA LEU 86 HA LEU 86 14.994 6.061 -5.521 638 1HB LEU 86 1HB LEU 86 13.033 4.365 -4.034 639 2HB LEU 86 2HB LEU 86 12.471 5.794 -4.885 640 HG LEU 86 HG LEU 86 14.032 3.571 -6.197 641 1HD1 LEU 86 1HD1 LEU 86 11.831 2.818 -5.324 642 2HD1 LEU 86 2HD1 LEU 86 11.063 4.065 -6.307 643 3HD1 LEU 86 3HD1 LEU 86 11.959 2.759 -7.082 644 1HD2 LEU 86 1HD2 LEU 86 12.500 5.930 -7.280 645 2HD2 LEU 86 2HD2 LEU 86 14.241 5.663 -7.362 646 3HD2 LEU 86 3HD2 LEU 86 13.144 4.615 -8.264 647 H LYS 87 H LYS 87 14.282 5.775 -2.065 648 HA LYS 87 HA LYS 87 13.117 8.314 -1.764 649 1HB LYS 87 1HB LYS 87 14.441 6.426 0.163 650 2HB LYS 87 2HB LYS 87 13.802 7.980 0.687 651 1HG LYS 87 1HG LYS 87 11.706 6.948 -0.732 652 2HG LYS 87 2HG LYS 87 12.408 5.505 -0.004 653 1HD LYS 87 1HD LYS 87 12.251 6.535 2.205 654 2HD LYS 87 2HD LYS 87 11.586 8.001 1.484 655 1HE LYS 87 1HE LYS 87 10.242 5.386 0.972 656 2HE LYS 87 2HE LYS 87 10.010 6.179 2.530 657 1HZ LYS 87 1HZ LYS 87 9.549 7.552 -0.056 658 2HZ LYS 87 2HZ LYS 87 8.330 6.720 0.770 659 3HZ LYS 87 3HZ LYS 87 9.076 8.060 1.486 660 H THR 88 H THR 88 16.507 7.260 -1.424 661 HA THR 88 HA THR 88 17.481 9.676 -0.388 662 HB THR 88 HB THR 88 18.752 7.612 -0.253 663 HG1 THR 88 HG1 THR 88 20.155 9.228 -0.129 664 1HG2 THR 88 1HG2 THR 88 20.059 6.953 -2.355 665 2HG2 THR 88 2HG2 THR 88 18.390 6.406 -2.197 666 3HG2 THR 88 3HG2 THR 88 18.774 7.778 -3.237 667 H PHE 89 H PHE 89 16.581 8.841 -3.644 668 HA PHE 89 HA PHE 89 18.238 10.620 -5.056 669 1HB PHE 89 1HB PHE 89 15.452 9.642 -5.715 670 2HB PHE 89 2HB PHE 89 16.468 10.542 -6.831 671 HD1 PHE 89 HD1 PHE 89 19.100 9.043 -5.935 672 HD2 PHE 89 HD2 PHE 89 15.221 7.753 -7.141 673 HE1 PHE 89 HE1 PHE 89 20.054 6.921 -6.739 674 HE2 PHE 89 HE2 PHE 89 16.176 5.633 -7.940 675 HZ PHE 89 HZ PHE 89 18.592 5.215 -7.740 676 H GLN 90 H GLN 90 18.233 12.763 -5.325 677 HA GLN 90 HA GLN 90 16.686 14.379 -3.625 678 1HB GLN 90 1HB GLN 90 18.462 15.128 -5.948 679 2HB GLN 90 2HB GLN 90 17.811 16.271 -4.781 680 1HG GLN 90 1HG GLN 90 19.775 15.934 -3.753 681 2HG GLN 90 2HG GLN 90 18.966 14.504 -3.113 682 1HE2 GLN 90 2HE2 GLN 90 20.578 15.398 -6.152 683 2HE2 GLN 90 1HE2 GLN 90 21.579 13.992 -6.231 684 H ASN 91 H ASN 91 16.694 15.823 -6.841 685 HA ASN 91 HA ASN 91 13.815 15.982 -6.662 686 1HB ASN 91 1HB ASN 91 15.835 17.326 -8.449 687 2HB ASN 91 2HB ASN 91 14.098 17.565 -8.612 688 1HD2 ASN 91 2HD2 ASN 91 16.496 19.251 -7.724 689 2HD2 ASN 91 1HD2 ASN 91 15.940 20.007 -6.274 690 H THR 92 H THR 92 15.626 15.719 -9.726 691 HA THR 92 HA THR 92 13.542 14.156 -10.868 692 HB THR 92 HB THR 92 15.704 13.909 -12.603 693 HG1 THR 92 HG1 THR 92 17.070 15.270 -11.631 694 1HG2 THR 92 1HG2 THR 92 13.835 16.260 -12.520 695 2HG2 THR 92 2HG2 THR 92 14.660 15.581 -13.923 696 3HG2 THR 92 3HG2 THR 92 13.384 14.665 -13.122 697 H VAL 93 H VAL 93 13.875 12.086 -11.963 698 HA VAL 93 HA VAL 93 15.893 10.321 -10.857 699 HB VAL 93 HB VAL 93 12.975 9.615 -10.510 700 1HG1 VAL 93 1HG1 VAL 93 15.516 8.318 -9.535 701 2HG1 VAL 93 2HG1 VAL 93 13.887 7.819 -9.081 702 3HG1 VAL 93 3HG1 VAL 93 14.412 7.693 -10.760 703 1HG2 VAL 93 1HG2 VAL 93 14.929 10.622 -8.441 704 2HG2 VAL 93 2HG2 VAL 93 13.481 11.452 -9.012 705 3HG2 VAL 93 3HG2 VAL 93 13.334 9.953 -8.094 706 H GLU 94 H GLU 94 16.665 9.376 -12.651 707 HA GLU 94 HA GLU 94 14.913 8.925 -14.932 708 1HB GLU 94 1HB GLU 94 17.884 8.746 -14.500 709 2HB GLU 94 2HB GLU 94 17.140 8.048 -15.932 710 1HG GLU 94 1HG GLU 94 17.908 10.210 -16.516 711 2HG GLU 94 2HG GLU 94 16.150 10.288 -16.413 712 H LEU 95 H LEU 95 13.903 7.051 -15.259 713 HA LEU 95 HA LEU 95 14.971 4.634 -13.942 714 1HB LEU 95 1HB LEU 95 12.084 5.334 -14.471 715 2HB LEU 95 2HB LEU 95 12.659 3.860 -13.714 716 HG LEU 95 HG LEU 95 13.302 6.524 -12.504 717 1HD1 LEU 95 1HD1 LEU 95 10.852 6.417 -12.902 718 2HD1 LEU 95 2HD1 LEU 95 10.804 4.935 -11.948 719 3HD1 LEU 95 3HD1 LEU 95 11.294 6.452 -11.195 720 1HD2 LEU 95 1HD2 LEU 95 12.953 3.739 -11.402 721 2HD2 LEU 95 2HD2 LEU 95 14.478 4.589 -11.648 722 3HD2 LEU 95 3HD2 LEU 95 13.327 5.173 -10.447 723 H ILE 96 H ILE 96 14.974 2.729 -15.018 724 HA ILE 96 HA ILE 96 14.215 2.785 -17.869 725 HB ILE 96 HB ILE 96 16.307 0.998 -16.612 726 1HG1 ILE 96 1HG1 ILE 96 16.772 3.454 -18.315 727 2HG1 ILE 96 2HG1 ILE 96 16.927 3.432 -16.560 728 1HG2 ILE 96 1HG2 ILE 96 15.166 0.199 -18.680 729 2HG2 ILE 96 2HG2 ILE 96 15.792 1.621 -19.514 730 3HG2 ILE 96 3HG2 ILE 96 16.907 0.422 -18.856 731 1HD1 ILE 96 1HD1 ILE 96 18.522 1.353 -17.265 732 2HD1 ILE 96 2HD1 ILE 96 18.746 2.451 -18.627 733 3HD1 ILE 96 3HD1 ILE 96 19.076 3.003 -16.984 734 H ILE 97 H ILE 97 12.674 1.337 -18.472 735 HA ILE 97 HA ILE 97 12.124 -0.925 -16.670 736 HB ILE 97 HB ILE 97 9.705 -0.545 -16.916 737 1HG1 ILE 97 1HG1 ILE 97 10.430 2.138 -18.110 738 2HG1 ILE 97 2HG1 ILE 97 9.930 0.758 -19.084 739 1HG2 ILE 97 1HG2 ILE 97 10.876 0.313 -14.962 740 2HG2 ILE 97 2HG2 ILE 97 11.226 1.816 -15.815 741 3HG2 ILE 97 3HG2 ILE 97 9.560 1.393 -15.422 742 1HD1 ILE 97 1HD1 ILE 97 8.184 1.626 -16.841 743 2HD1 ILE 97 2HD1 ILE 97 8.213 2.582 -18.324 744 3HD1 ILE 97 3HD1 ILE 97 7.761 0.879 -18.382 745 H VAL 98 H VAL 98 10.436 -2.430 -17.696 746 HA VAL 98 HA VAL 98 10.621 -2.594 -20.600 747 HB VAL 98 HB VAL 98 11.440 -4.950 -18.895 748 1HG1 VAL 98 1HG1 VAL 98 10.452 -5.524 -21.050 749 2HG1 VAL 98 2HG1 VAL 98 11.605 -4.468 -21.868 750 3HG1 VAL 98 3HG1 VAL 98 12.174 -5.907 -21.021 751 1HG2 VAL 98 1HG2 VAL 98 13.113 -3.151 -18.727 752 2HG2 VAL 98 2HG2 VAL 98 13.728 -4.557 -19.597 753 3HG2 VAL 98 3HG2 VAL 98 13.232 -3.118 -20.487 754 H ARG 99 H ARG 99 9.049 -3.982 -21.538 755 HA ARG 99 HA ARG 99 6.936 -4.881 -19.686 756 1HB ARG 99 1HB ARG 99 6.649 -2.792 -21.393 757 2HB ARG 99 2HB ARG 99 6.124 -4.114 -22.426 758 1HG ARG 99 1HG ARG 99 4.156 -3.401 -21.441 759 2HG ARG 99 2HG ARG 99 4.621 -4.777 -20.441 760 1HD ARG 99 1HD ARG 99 5.770 -3.069 -18.930 761 2HD ARG 99 2HD ARG 99 4.872 -1.847 -19.826 762 HE ARG 99 HE ARG 99 3.042 -2.396 -18.598 763 1HH1 ARG 99 1HH1 ARG 99 5.188 -5.171 -18.554 764 2HH1 ARG 99 2HH1 ARG 99 4.171 -6.083 -17.488 765 1HH2 ARG 99 1HH2 ARG 99 1.728 -3.606 -17.201 766 2HH2 ARG 99 2HH2 ARG 99 2.216 -5.197 -16.722 767 H GLU 100 H GLU 100 6.856 -7.022 -19.701 768 HA GLU 100 HA GLU 100 8.006 -8.640 -21.709 769 1HB GLU 100 1HB GLU 100 5.976 -9.452 -19.624 770 2HB GLU 100 2HB GLU 100 7.078 -10.517 -20.485 771 1HG GLU 100 1HG GLU 100 8.940 -9.088 -19.442 772 2HG GLU 100 2HG GLU 100 7.684 -8.518 -18.346 773 H VAL 101 H VAL 101 7.253 -9.054 -23.663 774 HA VAL 101 HA VAL 101 4.346 -8.951 -24.133 775 HB VAL 101 HB VAL 101 6.529 -8.760 -26.215 776 1HG1 VAL 101 1HG1 VAL 101 4.307 -9.538 -26.988 777 2HG1 VAL 101 2HG1 VAL 101 3.608 -8.035 -26.384 778 3HG1 VAL 101 3HG1 VAL 101 4.790 -7.995 -27.692 779 1HG2 VAL 101 1HG2 VAL 101 6.656 -6.867 -24.657 780 2HG2 VAL 101 2HG2 VAL 101 6.124 -6.363 -26.261 781 3HG2 VAL 101 3HG2 VAL 101 4.952 -6.519 -24.953 782 H SER 102 H SER 102 3.387 -10.865 -24.324 783 HA SER 102 HA SER 102 4.974 -13.231 -24.928 784 1HB SER 102 1HB SER 102 3.296 -13.162 -23.039 785 2HB SER 102 2HB SER 102 2.028 -13.103 -24.263 786 HG SER 102 HG SER 102 2.863 -15.246 -23.322 787 H SER 103 H SER 103 5.144 -14.011 -26.912 788 HA SER 103 HA SER 103 2.873 -13.983 -28.713 789 1HB SER 103 1HB SER 103 5.494 -12.714 -29.541 790 2HB SER 103 2HB SER 103 4.059 -12.905 -30.548 791 HG SER 103 HG SER 103 4.427 -10.792 -29.453 792 1H THR 301 1H THR 301 -0.119 -5.200 8.537 793 2H THR 301 2H THR 301 0.953 -6.360 7.866 794 3H THR 301 3H THR 301 -0.615 -6.833 8.381 795 HA THR 301 HA THR 301 -0.499 -6.674 6.018 796 HB THR 301 HB THR 301 -2.105 -4.301 6.857 797 HG1 THR 301 HG1 THR 301 -3.412 -5.477 8.136 798 1HG2 THR 301 1HG2 THR 301 -3.445 -6.637 5.745 799 2HG2 THR 301 2HG2 THR 301 -3.537 -4.939 5.276 800 3HG2 THR 301 3HG2 THR 301 -2.213 -5.947 4.691 801 H GLY 302 H GLY 302 -0.406 -5.263 4.136 802 1HA GLY 302 1HA GLY 302 0.200 -3.149 3.139 803 2HA GLY 302 2HA GLY 302 1.209 -2.828 4.542 804 H TRP 303 H TRP 303 0.926 -4.650 1.560 805 HA TRP 303 HA TRP 303 3.676 -5.595 1.794 806 1HB TRP 303 1HB TRP 303 3.140 -6.788 -0.360 807 2HB TRP 303 2HB TRP 303 2.146 -7.256 1.016 808 HD1 TRP 303 HD1 TRP 303 -0.442 -6.633 0.933 809 HE1 TRP 303 HE1 TRP 303 -1.990 -5.913 -0.991 810 HE3 TRP 303 HE3 TRP 303 3.101 -5.429 -2.549 811 HZ2 TRP 303 HZ2 TRP 303 -1.742 -4.963 -3.636 812 HZ3 TRP 303 HZ3 TRP 303 2.361 -4.623 -4.754 813 HH2 TRP 303 HH2 TRP 303 -0.012 -4.396 -5.285 814 H GLU 304 H GLU 304 1.761 -3.270 0.019 815 HA GLU 304 HA GLU 304 3.959 -2.667 -1.792 816 1HB GLU 304 1HB GLU 304 2.366 -1.004 -2.752 817 2HB GLU 304 2HB GLU 304 1.765 -2.657 -2.772 818 1HG GLU 304 1HG GLU 304 0.303 -2.243 -0.958 819 2HG GLU 304 2HG GLU 304 1.054 -0.684 -0.622 820 H THR 305 H THR 305 5.326 -1.005 -1.595 821 HA THR 305 HA THR 305 4.930 0.839 0.667 822 HB THR 305 HB THR 305 7.542 0.245 -0.726 823 HG1 THR 305 HG1 THR 305 6.431 -0.998 1.566 824 1HG2 THR 305 1HG2 THR 305 8.434 0.883 1.556 825 2HG2 THR 305 2HG2 THR 305 7.796 2.187 0.556 826 3HG2 THR 305 3HG2 THR 305 6.831 1.538 1.882 827 H TRP 306 H TRP 306 4.858 2.996 0.319 828 HA TRP 306 HA TRP 306 4.934 3.888 -2.467 829 1HB TRP 306 1HB TRP 306 3.733 5.050 0.040 830 2HB TRP 306 2HB TRP 306 3.891 5.996 -1.438 831 HD1 TRP 306 HD1 TRP 306 1.930 3.083 0.060 832 HE1 TRP 306 HE1 TRP 306 -0.081 2.569 -1.464 833 HE3 TRP 306 HE3 TRP 306 3.083 6.144 -3.869 834 HZ2 TRP 306 HZ2 TRP 306 -1.047 3.356 -3.996 835 HZ3 TRP 306 HZ3 TRP 306 1.563 6.205 -5.804 836 HH2 TRP 306 HH2 TRP 306 -0.459 4.838 -5.864 837 H VAL 307 H VAL 307 6.441 5.219 -3.247 838 HA VAL 307 HA VAL 307 8.468 6.250 -1.374 839 HB VAL 307 HB VAL 307 9.970 6.353 -3.355 840 1HG1 VAL 307 1HG1 VAL 307 10.010 4.442 -1.824 841 2HG1 VAL 307 2HG1 VAL 307 8.801 3.628 -2.817 842 3HG1 VAL 307 3HG1 VAL 307 10.402 3.966 -3.476 843 1HG2 VAL 307 1HG2 VAL 307 8.110 6.490 -5.026 844 2HG2 VAL 307 2HG2 VAL 307 9.377 5.331 -5.427 845 3HG2 VAL 307 3HG2 VAL 307 7.840 4.766 -4.773 Start of MODEL 19 1 1H GLY 1 1H GLY 1 12.928 -27.914 -29.909 2 2H GLY 1 2H GLY 1 13.360 -26.830 -28.685 3 3H GLY 1 3H GLY 1 14.532 -27.837 -29.374 4 1HA GLY 1 1HA GLY 1 14.178 -26.723 -31.535 5 2HA GLY 1 2HA GLY 1 13.099 -25.608 -30.711 6 H SER 2 H SER 2 15.336 -24.738 -32.106 7 HA SER 2 HA SER 2 16.952 -23.644 -29.907 8 1HB SER 2 1HB SER 2 18.080 -24.511 -32.583 9 2HB SER 2 2HB SER 2 18.987 -23.863 -31.216 10 HG SER 2 HG SER 2 19.175 -26.074 -31.153 11 H HIS 3 H HIS 3 14.808 -22.309 -30.832 12 HA HIS 3 HA HIS 3 15.678 -20.432 -32.888 13 1HB HIS 3 1HB HIS 3 13.058 -20.567 -31.380 14 2HB HIS 3 2HB HIS 3 13.400 -19.555 -32.779 15 HD1 HIS 3 HD1 HIS 3 14.891 -21.895 -34.377 16 HD2 HIS 3 HD2 HIS 3 11.110 -22.069 -32.661 17 HE1 HIS 3 HE1 HIS 3 13.665 -23.699 -35.630 18 HE2 HIS 3 HE2 HIS 3 11.350 -23.718 -34.639 19 H MET 4 H MET 4 15.816 -18.183 -32.551 20 HA MET 4 HA MET 4 15.445 -17.007 -29.978 21 1HB MET 4 1HB MET 4 17.881 -16.372 -29.696 22 2HB MET 4 2HB MET 4 17.486 -18.053 -29.361 23 1HG MET 4 1HG MET 4 18.533 -18.818 -31.273 24 2HG MET 4 2HG MET 4 18.445 -17.249 -32.073 25 1HE MET 4 1HE MET 4 20.120 -15.496 -32.025 26 2HE MET 4 2HE MET 4 19.755 -15.069 -30.353 27 3HE MET 4 3HE MET 4 21.428 -15.304 -30.858 28 H GLY 5 H GLY 5 14.851 -14.979 -30.355 29 1HA GLY 5 1HA GLY 5 15.375 -12.773 -31.169 30 2HA GLY 5 2HA GLY 5 16.124 -13.512 -32.573 31 H HIS 6 H HIS 6 13.904 -15.389 -32.988 32 HA HIS 6 HA HIS 6 12.316 -13.739 -34.668 33 1HB HIS 6 1HB HIS 6 12.030 -16.633 -33.849 34 2HB HIS 6 2HB HIS 6 11.007 -15.851 -35.051 35 HD1 HIS 6 HD1 HIS 6 12.566 -14.654 -37.063 36 HD2 HIS 6 HD2 HIS 6 14.138 -17.884 -34.973 37 HE1 HIS 6 HE1 HIS 6 14.413 -15.559 -38.511 38 HE2 HIS 6 HE2 HIS 6 15.412 -17.451 -37.182 39 H GLU 7 H GLU 7 11.897 -15.020 -31.440 40 HA GLU 7 HA GLU 7 9.210 -13.799 -31.330 41 1HB GLU 7 1HB GLU 7 9.740 -16.390 -30.867 42 2HB GLU 7 2HB GLU 7 10.042 -15.757 -29.253 43 1HG GLU 7 1HG GLU 7 7.839 -14.995 -29.018 44 2HG GLU 7 2HG GLU 7 7.514 -15.147 -30.745 45 H LEU 8 H LEU 8 10.505 -11.786 -30.984 46 HA LEU 8 HA LEU 8 10.735 -11.281 -28.140 47 1HB LEU 8 1HB LEU 8 12.999 -12.076 -29.004 48 2HB LEU 8 2HB LEU 8 13.056 -10.584 -29.927 49 HG LEU 8 HG LEU 8 12.720 -9.382 -27.695 50 1HD1 LEU 8 1HD1 LEU 8 13.464 -12.130 -26.710 51 2HD1 LEU 8 2HD1 LEU 8 13.555 -10.663 -25.736 52 3HD1 LEU 8 3HD1 LEU 8 11.995 -11.224 -26.341 53 1HD2 LEU 8 1HD2 LEU 8 14.830 -9.393 -28.921 54 2HD2 LEU 8 2HD2 LEU 8 15.107 -9.488 -27.182 55 3HD2 LEU 8 3HD2 LEU 8 15.260 -10.934 -28.179 56 H ALA 9 H ALA 9 10.301 -9.159 -27.605 57 HA ALA 9 HA ALA 9 10.455 -7.018 -29.483 58 1HB ALA 9 1HB ALA 9 7.802 -8.327 -29.007 59 2HB ALA 9 2HB ALA 9 7.907 -6.612 -29.401 60 3HB ALA 9 3HB ALA 9 8.537 -7.815 -30.526 61 H LYS 10 H LYS 10 11.364 -7.476 -26.830 62 HA LYS 10 HA LYS 10 9.690 -6.087 -24.963 63 1HB LYS 10 1HB LYS 10 12.520 -7.098 -24.918 64 2HB LYS 10 2HB LYS 10 11.914 -6.077 -23.621 65 1HG LYS 10 1HG LYS 10 10.748 -7.742 -22.700 66 2HG LYS 10 2HG LYS 10 10.112 -8.275 -24.255 67 1HD LYS 10 1HD LYS 10 11.385 -10.083 -23.438 68 2HD LYS 10 2HD LYS 10 12.393 -9.316 -24.666 69 1HE LYS 10 1HE LYS 10 13.479 -8.029 -22.776 70 2HE LYS 10 2HE LYS 10 12.634 -9.115 -21.674 71 1HZ LYS 10 1HZ LYS 10 13.733 -10.981 -22.889 72 2HZ LYS 10 2HZ LYS 10 14.676 -9.834 -23.700 73 3HZ LYS 10 3HZ LYS 10 14.792 -9.989 -22.019 74 H GLN 11 H GLN 11 9.358 -3.964 -24.984 75 HA GLN 11 HA GLN 11 11.308 -2.200 -26.261 76 1HB GLN 11 1HB GLN 11 9.507 -0.501 -26.123 77 2HB GLN 11 2HB GLN 11 9.017 -1.951 -26.991 78 1HG GLN 11 1HG GLN 11 8.340 -2.374 -24.292 79 2HG GLN 11 2HG GLN 11 7.846 -0.728 -24.677 80 1HE2 GLN 11 2HE2 GLN 11 7.893 -3.742 -26.550 81 2HE2 GLN 11 1HE2 GLN 11 6.218 -3.709 -26.972 82 H GLU 12 H GLU 12 12.876 -1.498 -24.959 83 HA GLU 12 HA GLU 12 12.384 -1.002 -22.140 84 1HB GLU 12 1HB GLU 12 14.466 -2.122 -23.078 85 2HB GLU 12 2HB GLU 12 14.951 -0.533 -23.654 86 1HG GLU 12 1HG GLU 12 15.274 0.290 -21.514 87 2HG GLU 12 2HG GLU 12 14.262 -0.951 -20.777 88 H ILE 13 H ILE 13 11.403 0.848 -21.646 89 HA ILE 13 HA ILE 13 12.312 3.326 -22.987 90 HB ILE 13 HB ILE 13 10.150 4.349 -22.288 91 1HG1 ILE 13 1HG1 ILE 13 9.698 2.508 -20.545 92 2HG1 ILE 13 2HG1 ILE 13 8.334 3.086 -21.486 93 1HG2 ILE 13 1HG2 ILE 13 10.583 3.634 -24.570 94 2HG2 ILE 13 2HG2 ILE 13 9.983 2.019 -24.192 95 3HG2 ILE 13 3HG2 ILE 13 8.887 3.399 -24.147 96 1HD1 ILE 13 1HD1 ILE 13 9.491 0.835 -22.813 97 2HD1 ILE 13 2HD1 ILE 13 9.204 0.436 -21.119 98 3HD1 ILE 13 3HD1 ILE 13 7.877 1.016 -22.126 99 H ARG 14 H ARG 14 12.435 5.263 -21.757 100 HA ARG 14 HA ARG 14 13.372 4.779 -19.040 101 1HB ARG 14 1HB ARG 14 14.319 6.323 -21.137 102 2HB ARG 14 2HB ARG 14 13.618 7.517 -20.055 103 1HG ARG 14 1HG ARG 14 14.969 6.342 -18.214 104 2HG ARG 14 2HG ARG 14 15.861 5.602 -19.544 105 1HD ARG 14 1HD ARG 14 16.034 8.076 -20.392 106 2HD ARG 14 2HD ARG 14 15.727 8.460 -18.700 107 HE ARG 14 HE ARG 14 17.825 7.683 -18.159 108 1HH1 ARG 14 1HH1 ARG 14 17.117 6.788 -21.483 109 2HH1 ARG 14 2HH1 ARG 14 18.743 6.296 -21.816 110 1HH2 ARG 14 1HH2 ARG 14 19.947 7.029 -18.622 111 2HH2 ARG 14 2HH2 ARG 14 20.342 6.430 -20.199 112 H VAL 15 H VAL 15 12.911 6.475 -17.369 113 HA VAL 15 HA VAL 15 10.270 7.723 -17.633 114 HB VAL 15 HB VAL 15 11.039 5.932 -15.315 115 1HG1 VAL 15 1HG1 VAL 15 9.297 8.060 -15.256 116 2HG1 VAL 15 2HG1 VAL 15 8.227 6.694 -15.573 117 3HG1 VAL 15 3HG1 VAL 15 9.275 6.683 -14.154 118 1HG2 VAL 15 1HG2 VAL 15 10.553 4.680 -17.365 119 2HG2 VAL 15 2HG2 VAL 15 9.324 4.415 -16.128 120 3HG2 VAL 15 3HG2 VAL 15 8.991 5.491 -17.485 121 H ARG 16 H ARG 16 10.477 9.804 -17.083 122 HA ARG 16 HA ARG 16 12.542 10.566 -15.123 123 1HB ARG 16 1HB ARG 16 12.532 11.592 -17.478 124 2HB ARG 16 2HB ARG 16 11.093 12.465 -16.966 125 1HG ARG 16 1HG ARG 16 12.587 13.186 -14.955 126 2HG ARG 16 2HG ARG 16 13.912 12.747 -16.032 127 1HD ARG 16 1HD ARG 16 11.973 14.369 -17.426 128 2HD ARG 16 2HD ARG 16 12.504 15.170 -15.946 129 HE ARG 16 HE ARG 16 14.629 14.096 -17.588 130 1HH1 ARG 16 1HH1 ARG 16 12.666 16.926 -16.890 131 2HH1 ARG 16 2HH1 ARG 16 13.828 18.031 -17.543 132 1HH2 ARG 16 1HH2 ARG 16 16.128 15.566 -18.445 133 2HH2 ARG 16 2HH2 ARG 16 15.781 17.262 -18.423 134 H VAL 17 H VAL 17 11.708 10.700 -13.131 135 HA VAL 17 HA VAL 17 9.068 11.993 -12.807 136 HB VAL 17 HB VAL 17 10.221 9.959 -10.897 137 1HG1 VAL 17 1HG1 VAL 17 8.534 11.539 -10.024 138 2HG1 VAL 17 2HG1 VAL 17 7.403 10.971 -11.252 139 3HG1 VAL 17 3HG1 VAL 17 7.980 9.864 -10.007 140 1HG2 VAL 17 1HG2 VAL 17 9.870 8.856 -13.044 141 2HG2 VAL 17 2HG2 VAL 17 8.671 8.323 -11.866 142 3HG2 VAL 17 3HG2 VAL 17 8.225 9.487 -13.113 143 H GLU 18 H GLU 18 8.950 13.704 -11.503 144 HA GLU 18 HA GLU 18 11.380 14.587 -10.152 145 1HB GLU 18 1HB GLU 18 8.826 15.920 -10.979 146 2HB GLU 18 2HB GLU 18 9.825 16.654 -9.731 147 1HG GLU 18 1HG GLU 18 11.685 16.817 -11.242 148 2HG GLU 18 2HG GLU 18 10.800 15.931 -12.484 149 H LYS 19 H LYS 19 11.136 15.578 -7.945 150 HA LYS 19 HA LYS 19 9.375 13.880 -6.311 151 1HB LYS 19 1HB LYS 19 12.098 14.248 -6.169 152 2HB LYS 19 2HB LYS 19 11.517 15.357 -4.938 153 1HG LYS 19 1HG LYS 19 11.986 13.262 -3.903 154 2HG LYS 19 2HG LYS 19 10.237 13.483 -3.931 155 1HD LYS 19 1HD LYS 19 10.663 11.226 -4.545 156 2HD LYS 19 2HD LYS 19 10.194 12.077 -6.017 157 1HE LYS 19 1HE LYS 19 12.019 11.071 -6.872 158 2HE LYS 19 2HE LYS 19 12.874 12.401 -6.098 159 1HZ LYS 19 1HZ LYS 19 12.900 10.799 -4.080 160 2HZ LYS 19 2HZ LYS 19 12.643 9.599 -5.243 161 3HZ LYS 19 3HZ LYS 19 14.017 10.581 -5.333 162 H ASP 20 H ASP 20 7.622 15.418 -6.860 163 HA ASP 20 HA ASP 20 7.561 17.580 -4.888 164 1HB ASP 20 1HB ASP 20 8.201 18.503 -7.153 165 2HB ASP 20 2HB ASP 20 6.617 17.992 -7.729 166 HA PRO 21 HA PRO 21 6.958 16.852 -3.115 167 1HB PRO 21 1HB PRO 21 5.459 15.068 -1.447 168 2HB PRO 21 2HB PRO 21 5.548 16.826 -1.348 169 1HG PRO 21 1HG PRO 21 3.287 15.385 -2.036 170 2HG PRO 21 2HG PRO 21 3.556 17.097 -2.405 171 1HD PRO 21 1HD PRO 21 3.905 14.699 -4.160 172 2HD PRO 21 2HD PRO 21 3.263 16.306 -4.559 173 H GLU 22 H GLU 22 5.701 13.890 -4.494 174 HA GLU 22 HA GLU 22 8.273 12.590 -3.964 175 1HB GLU 22 1HB GLU 22 5.590 11.261 -3.507 176 2HB GLU 22 2HB GLU 22 7.166 10.512 -3.293 177 1HG GLU 22 1HG GLU 22 7.573 12.445 -1.613 178 2HG GLU 22 2HG GLU 22 5.815 12.572 -1.616 179 H LEU 23 H LEU 23 7.817 10.143 -5.135 180 HA LEU 23 HA LEU 23 7.939 10.764 -7.898 181 1HB LEU 23 1HB LEU 23 7.691 8.120 -6.463 182 2HB LEU 23 2HB LEU 23 7.931 8.272 -8.195 183 HG LEU 23 HG LEU 23 10.007 9.760 -7.331 184 1HD1 LEU 23 1HD1 LEU 23 9.414 7.779 -5.153 185 2HD1 LEU 23 2HD1 LEU 23 11.035 8.406 -5.447 186 3HD1 LEU 23 3HD1 LEU 23 9.729 9.509 -5.012 187 1HD2 LEU 23 1HD2 LEU 23 9.940 6.760 -7.639 188 2HD2 LEU 23 2HD2 LEU 23 10.212 7.951 -8.911 189 3HD2 LEU 23 3HD2 LEU 23 11.407 7.739 -7.632 190 H GLY 24 H GLY 24 5.512 9.076 -5.912 191 1HA GLY 24 1HA GLY 24 3.169 9.517 -6.222 192 2HA GLY 24 2HA GLY 24 3.489 9.816 -7.921 193 H PHE 25 H PHE 25 4.946 7.053 -6.366 194 HA PHE 25 HA PHE 25 2.823 5.245 -7.043 195 1HB PHE 25 1HB PHE 25 3.941 4.010 -8.797 196 2HB PHE 25 2HB PHE 25 3.821 5.698 -9.276 197 HD1 PHE 25 HD1 PHE 25 6.092 3.036 -8.183 198 HD2 PHE 25 HD2 PHE 25 5.788 7.048 -9.573 199 HE1 PHE 25 HE1 PHE 25 8.514 3.066 -8.611 200 HE2 PHE 25 HE2 PHE 25 8.211 7.084 -10.003 201 HZ PHE 25 HZ PHE 25 9.576 5.092 -9.522 202 H SER 26 H SER 26 3.222 3.070 -6.378 203 HA SER 26 HA SER 26 5.341 2.890 -4.348 204 1HB SER 26 1HB SER 26 3.862 0.853 -3.632 205 2HB SER 26 2HB SER 26 3.326 2.489 -3.250 206 HG SER 26 HG SER 26 1.739 1.018 -4.253 207 H ILE 27 H ILE 27 6.473 0.857 -4.082 208 HA ILE 27 HA ILE 27 6.641 -0.723 -6.572 209 HB ILE 27 HB ILE 27 9.056 -1.061 -6.052 210 1HG1 ILE 27 1HG1 ILE 27 8.713 1.254 -4.141 211 2HG1 ILE 27 2HG1 ILE 27 8.798 -0.426 -3.615 212 1HG2 ILE 27 1HG2 ILE 27 8.338 0.561 -7.725 213 2HG2 ILE 27 2HG2 ILE 27 8.202 1.799 -6.476 214 3HG2 ILE 27 3HG2 ILE 27 9.780 1.122 -6.878 215 1HD1 ILE 27 1HD1 ILE 27 10.959 0.709 -5.329 216 2HD1 ILE 27 2HD1 ILE 27 10.929 1.040 -3.597 217 3HD1 ILE 27 3HD1 ILE 27 11.023 -0.624 -4.176 218 H SER 28 H SER 28 7.096 -2.938 -6.370 219 HA SER 28 HA SER 28 7.265 -4.115 -3.716 220 1HB SER 28 1HB SER 28 4.919 -4.592 -5.565 221 2HB SER 28 2HB SER 28 5.306 -5.624 -4.189 222 HG SER 28 HG SER 28 4.442 -4.200 -2.923 223 H GLY 29 H GLY 29 7.373 -6.589 -3.909 224 1HA GLY 29 1HA GLY 29 7.951 -8.526 -5.112 225 2HA GLY 29 2HA GLY 29 8.345 -7.528 -6.496 226 H GLY 30 H GLY 30 9.672 -6.622 -3.422 227 1HA GLY 30 1HA GLY 30 12.334 -6.734 -4.318 228 2HA GLY 30 2HA GLY 30 11.837 -6.602 -2.637 229 H VAL 31 H VAL 31 14.070 -8.121 -3.767 230 HA VAL 31 HA VAL 31 13.343 -10.899 -3.681 231 HB VAL 31 HB VAL 31 16.086 -9.612 -3.607 232 1HG1 VAL 31 1HG1 VAL 31 16.057 -11.960 -2.824 233 2HG1 VAL 31 2HG1 VAL 31 15.338 -12.435 -4.362 234 3HG1 VAL 31 3HG1 VAL 31 16.960 -11.744 -4.323 235 1HG2 VAL 31 1HG2 VAL 31 14.805 -8.993 -5.599 236 2HG2 VAL 31 2HG2 VAL 31 16.162 -10.045 -5.998 237 3HG2 VAL 31 3HG2 VAL 31 14.527 -10.699 -5.946 238 H GLY 32 H GLY 32 12.675 -11.715 -1.805 239 1HA GLY 32 1HA GLY 32 13.161 -12.671 0.300 240 2HA GLY 32 2HA GLY 32 14.446 -11.495 0.513 241 H GLY 33 H GLY 33 11.944 -9.614 -0.517 242 1HA GLY 33 1HA GLY 33 11.357 -8.779 2.189 243 2HA GLY 33 2HA GLY 33 10.880 -7.959 0.712 244 H ARG 34 H ARG 34 8.752 -7.658 1.075 245 HA ARG 34 HA ARG 34 7.076 -9.660 2.221 246 1HB ARG 34 1HB ARG 34 6.825 -6.873 1.316 247 2HB ARG 34 2HB ARG 34 5.353 -7.819 1.132 248 1HG ARG 34 1HG ARG 34 6.838 -7.899 3.717 249 2HG ARG 34 2HG ARG 34 5.806 -6.519 3.335 250 1HD ARG 34 1HD ARG 34 3.941 -8.104 2.916 251 2HD ARG 34 2HD ARG 34 4.985 -9.418 3.454 252 HE ARG 34 HE ARG 34 5.068 -7.723 5.541 253 1HH1 ARG 34 1HH1 ARG 34 2.365 -9.066 3.742 254 2HH1 ARG 34 2HH1 ARG 34 1.293 -9.027 5.101 255 1HH2 ARG 34 1HH2 ARG 34 3.642 -7.682 7.307 256 2HH2 ARG 34 2HH2 ARG 34 2.016 -8.245 7.115 257 H GLY 35 H GLY 35 8.098 -9.071 -1.046 258 1HA GLY 35 1HA GLY 35 7.670 -10.684 -2.748 259 2HA GLY 35 2HA GLY 35 6.169 -11.109 -1.940 260 H ASN 36 H ASN 36 4.945 -10.876 -3.830 261 HA ASN 36 HA ASN 36 3.971 -8.237 -4.299 262 1HB ASN 36 1HB ASN 36 4.553 -8.097 -6.695 263 2HB ASN 36 2HB ASN 36 5.985 -8.083 -5.670 264 1HD2 ASN 36 2HD2 ASN 36 6.978 -10.274 -5.306 265 2HD2 ASN 36 1HD2 ASN 36 7.062 -11.329 -6.672 266 HA PRO 37 HA PRO 37 0.695 -11.051 -5.520 267 1HB PRO 37 1HB PRO 37 -1.366 -9.373 -5.441 268 2HB PRO 37 2HB PRO 37 -0.505 -9.828 -3.966 269 1HG PRO 37 1HG PRO 37 -0.380 -7.298 -5.530 270 2HG PRO 37 2HG PRO 37 -0.253 -7.548 -3.780 271 1HD PRO 37 1HD PRO 37 1.884 -7.207 -5.592 272 2HD PRO 37 2HD PRO 37 2.003 -7.731 -3.903 273 H PHE 38 H PHE 38 2.300 -9.506 -7.664 274 HA PHE 38 HA PHE 38 0.175 -9.359 -9.707 275 1HB PHE 38 1HB PHE 38 2.837 -7.971 -9.471 276 2HB PHE 38 2HB PHE 38 2.011 -8.107 -11.022 277 HD1 PHE 38 HD1 PHE 38 1.312 -7.069 -7.510 278 HD2 PHE 38 HD2 PHE 38 0.596 -6.410 -11.653 279 HE1 PHE 38 HE1 PHE 38 -0.046 -5.095 -6.956 280 HE2 PHE 38 HE2 PHE 38 -0.764 -4.433 -11.106 281 HZ PHE 38 HZ PHE 38 -1.088 -3.774 -8.755 282 H ARG 39 H ARG 39 3.604 -10.282 -9.345 283 HA ARG 39 HA ARG 39 3.204 -12.300 -11.457 284 1HB ARG 39 1HB ARG 39 5.680 -10.873 -10.490 285 2HB ARG 39 2HB ARG 39 5.753 -12.299 -11.519 286 1HG ARG 39 1HG ARG 39 4.140 -9.905 -12.314 287 2HG ARG 39 2HG ARG 39 5.876 -9.982 -12.615 288 1HD ARG 39 1HD ARG 39 5.212 -10.916 -14.559 289 2HD ARG 39 2HD ARG 39 5.142 -12.378 -13.577 290 HE ARG 39 HE ARG 39 2.680 -10.944 -13.518 291 1HH1 ARG 39 1HH1 ARG 39 4.561 -13.160 -15.492 292 2HH1 ARG 39 2HH1 ARG 39 3.169 -13.808 -16.293 293 1HH2 ARG 39 1HH2 ARG 39 0.873 -11.809 -14.584 294 2HH2 ARG 39 2HH2 ARG 39 1.086 -13.043 -15.780 295 HA PRO 40 HA PRO 40 3.840 -15.289 -8.231 296 1HB PRO 40 1HB PRO 40 3.849 -17.548 -9.676 297 2HB PRO 40 2HB PRO 40 2.397 -16.564 -9.478 298 1HG PRO 40 1HG PRO 40 4.159 -16.874 -11.834 299 2HG PRO 40 2HG PRO 40 2.435 -16.480 -11.759 300 1HD PRO 40 1HD PRO 40 4.607 -14.679 -12.120 301 2HD PRO 40 2HD PRO 40 2.896 -14.270 -11.899 302 H ASP 41 H ASP 41 5.896 -16.032 -11.082 303 HA ASP 41 HA ASP 41 7.953 -17.018 -9.248 304 1HB ASP 41 1HB ASP 41 7.578 -17.320 -12.224 305 2HB ASP 41 2HB ASP 41 9.006 -17.893 -11.367 306 H ASP 42 H ASP 42 7.308 -14.069 -10.709 307 HA ASP 42 HA ASP 42 10.114 -13.481 -11.289 308 1HB ASP 42 1HB ASP 42 8.080 -12.750 -12.742 309 2HB ASP 42 2HB ASP 42 7.877 -11.490 -11.530 310 H ASP 43 H ASP 43 11.377 -12.739 -9.722 311 HA ASP 43 HA ASP 43 10.151 -11.470 -7.379 312 1HB ASP 43 1HB ASP 43 12.322 -11.945 -6.271 313 2HB ASP 43 2HB ASP 43 11.548 -13.397 -6.902 314 H GLY 44 H GLY 44 10.414 -9.908 -9.762 315 1HA GLY 44 1HA GLY 44 12.694 -8.138 -9.270 316 2HA GLY 44 2HA GLY 44 11.599 -8.061 -10.642 317 H ILE 45 H ILE 45 11.742 -5.706 -10.041 318 HA ILE 45 HA ILE 45 9.938 -5.017 -7.813 319 HB ILE 45 HB ILE 45 11.556 -3.043 -9.425 320 1HG1 ILE 45 1HG1 ILE 45 13.115 -4.687 -8.446 321 2HG1 ILE 45 2HG1 ILE 45 13.276 -3.108 -7.685 322 1HG2 ILE 45 1HG2 ILE 45 9.719 -2.141 -8.117 323 2HG2 ILE 45 2HG2 ILE 45 10.350 -2.922 -6.667 324 3HG2 ILE 45 3HG2 ILE 45 11.269 -1.635 -7.447 325 1HD1 ILE 45 1HD1 ILE 45 11.628 -4.082 -5.935 326 2HD1 ILE 45 2HD1 ILE 45 12.155 -5.635 -6.582 327 3HD1 ILE 45 3HD1 ILE 45 13.334 -4.525 -5.883 328 H PHE 46 H PHE 46 7.887 -4.281 -8.273 329 HA PHE 46 HA PHE 46 7.353 -3.392 -11.039 330 1HB PHE 46 1HB PHE 46 5.322 -4.967 -9.464 331 2HB PHE 46 2HB PHE 46 5.377 -4.670 -11.196 332 HD1 PHE 46 HD1 PHE 46 7.240 -6.405 -8.480 333 HD2 PHE 46 HD2 PHE 46 6.211 -6.314 -12.609 334 HE1 PHE 46 HE1 PHE 46 8.347 -8.577 -8.803 335 HE2 PHE 46 HE2 PHE 46 7.324 -8.480 -12.936 336 HZ PHE 46 HZ PHE 46 8.395 -9.614 -11.032 337 H VAL 47 H VAL 47 5.704 -1.846 -11.288 338 HA VAL 47 HA VAL 47 5.253 -0.192 -8.932 339 HB VAL 47 HB VAL 47 4.492 0.359 -11.809 340 1HG1 VAL 47 1HG1 VAL 47 4.733 2.196 -9.425 341 2HG1 VAL 47 2HG1 VAL 47 4.440 2.715 -11.085 342 3HG1 VAL 47 3HG1 VAL 47 3.243 1.729 -10.245 343 1HG2 VAL 47 1HG2 VAL 47 6.970 -0.012 -11.303 344 2HG2 VAL 47 2HG2 VAL 47 6.522 1.492 -12.108 345 3HG2 VAL 47 3HG2 VAL 47 6.881 1.489 -10.382 346 H THR 48 H THR 48 3.771 -1.714 -7.925 347 HA THR 48 HA THR 48 1.499 -2.864 -8.735 348 HB THR 48 HB THR 48 2.263 -2.992 -6.449 349 HG1 THR 48 HG1 THR 48 -0.365 -1.934 -6.521 350 1HG2 THR 48 1HG2 THR 48 1.079 -0.283 -5.938 351 2HG2 THR 48 2HG2 THR 48 1.962 -1.317 -4.815 352 3HG2 THR 48 3HG2 THR 48 2.804 -0.561 -6.169 353 H ARG 49 H ARG 49 1.425 0.614 -7.703 354 HA ARG 49 HA ARG 49 -0.630 1.138 -9.646 355 1HB ARG 49 1HB ARG 49 -2.336 1.902 -8.015 356 2HB ARG 49 2HB ARG 49 -2.046 0.169 -7.957 357 1HG ARG 49 1HG ARG 49 -1.082 0.258 -5.884 358 2HG ARG 49 2HG ARG 49 -0.545 1.928 -6.084 359 1HD ARG 49 1HD ARG 49 -2.576 2.800 -5.483 360 2HD ARG 49 2HD ARG 49 -3.470 1.385 -6.032 361 HE ARG 49 HE ARG 49 -2.292 1.808 -3.423 362 1HH1 ARG 49 1HH1 ARG 49 -3.595 -0.576 -5.651 363 2HH1 ARG 49 2HH1 ARG 49 -3.966 -1.708 -4.395 364 1HH2 ARG 49 1HH2 ARG 49 -2.785 0.305 -1.801 365 2HH2 ARG 49 2HH2 ARG 49 -3.508 -1.211 -2.221 366 H VAL 50 H VAL 50 -1.416 3.413 -9.557 367 HA VAL 50 HA VAL 50 0.655 5.226 -8.479 368 HB VAL 50 HB VAL 50 -0.880 5.722 -11.036 369 1HG1 VAL 50 1HG1 VAL 50 0.170 7.638 -9.766 370 2HG1 VAL 50 2HG1 VAL 50 1.733 6.917 -10.150 371 3HG1 VAL 50 3HG1 VAL 50 0.668 7.458 -11.447 372 1HG2 VAL 50 1HG2 VAL 50 0.488 3.686 -11.293 373 2HG2 VAL 50 2HG2 VAL 50 1.067 5.016 -12.296 374 3HG2 VAL 50 3HG2 VAL 50 1.914 4.602 -10.806 375 H GLN 51 H GLN 51 -0.056 7.283 -7.732 376 HA GLN 51 HA GLN 51 -2.925 7.367 -7.115 377 1HB GLN 51 1HB GLN 51 -0.487 8.294 -5.731 378 2HB GLN 51 2HB GLN 51 -1.875 9.366 -5.609 379 1HG GLN 51 1HG GLN 51 -3.155 7.205 -4.955 380 2HG GLN 51 2HG GLN 51 -1.545 6.578 -4.606 381 1HE2 GLN 51 2HE2 GLN 51 -1.320 6.589 -2.483 382 2HE2 GLN 51 1HE2 GLN 51 -1.672 7.916 -1.433 383 HA PRO 52 HA PRO 52 -2.484 11.724 -8.915 384 1HB PRO 52 1HB PRO 52 -0.141 12.917 -9.361 385 2HB PRO 52 2HB PRO 52 -0.808 12.806 -7.727 386 1HG PRO 52 1HG PRO 52 1.308 11.127 -9.023 387 2HG PRO 52 2HG PRO 52 1.279 11.829 -7.395 388 1HD PRO 52 1HD PRO 52 0.609 9.224 -7.949 389 2HD PRO 52 2HD PRO 52 -0.002 10.136 -6.555 390 H GLU 53 H GLU 53 -3.215 11.467 -10.946 391 HA GLU 53 HA GLU 53 -1.743 10.016 -12.927 392 1HB GLU 53 1HB GLU 53 -3.638 10.691 -14.428 393 2HB GLU 53 2HB GLU 53 -4.125 9.826 -12.978 394 1HG GLU 53 1HG GLU 53 -4.977 11.760 -11.973 395 2HG GLU 53 2HG GLU 53 -4.138 12.821 -13.104 396 H GLY 54 H GLY 54 0.181 11.497 -12.682 397 1HA GLY 54 1HA GLY 54 0.223 13.314 -14.916 398 2HA GLY 54 2HA GLY 54 0.366 14.131 -13.369 399 HA PRO 55 HA PRO 55 4.711 13.400 -13.100 400 1HB PRO 55 1HB PRO 55 5.136 11.823 -10.866 401 2HB PRO 55 2HB PRO 55 4.899 13.573 -10.841 402 1HG PRO 55 1HG PRO 55 2.929 11.385 -10.324 403 2HG PRO 55 2HG PRO 55 3.136 12.931 -9.481 404 1HD PRO 55 1HD PRO 55 1.170 12.571 -11.262 405 2HD PRO 55 2HD PRO 55 2.024 14.123 -11.133 406 H ALA 56 H ALA 56 3.937 10.231 -11.655 407 HA ALA 56 HA ALA 56 5.295 8.969 -13.940 408 1HB ALA 56 1HB ALA 56 5.213 8.369 -11.028 409 2HB ALA 56 2HB ALA 56 5.391 7.021 -12.152 410 3HB ALA 56 3HB ALA 56 6.569 8.334 -12.155 411 H SER 57 H SER 57 2.713 9.643 -14.383 412 HA SER 57 HA SER 57 1.127 7.214 -13.951 413 1HB SER 57 1HB SER 57 -0.807 8.558 -14.561 414 2HB SER 57 2HB SER 57 0.121 9.401 -13.321 415 HG SER 57 HG SER 57 0.931 10.768 -14.872 416 H LYS 58 H LYS 58 1.649 9.586 -16.556 417 HA LYS 58 HA LYS 58 0.880 7.758 -18.601 418 1HB LYS 58 1HB LYS 58 2.101 10.494 -18.564 419 2HB LYS 58 2HB LYS 58 2.012 9.590 -20.070 420 1HG LYS 58 1HG LYS 58 0.052 10.709 -20.219 421 2HG LYS 58 2HG LYS 58 -0.513 9.307 -19.308 422 1HD LYS 58 1HD LYS 58 -0.555 10.492 -17.291 423 2HD LYS 58 2HD LYS 58 0.486 11.771 -17.917 424 1HE LYS 58 1HE LYS 58 -1.504 12.857 -18.051 425 2HE LYS 58 2HE LYS 58 -1.544 12.044 -19.615 426 1HZ LYS 58 1HZ LYS 58 -2.811 10.235 -18.514 427 2HZ LYS 58 2HZ LYS 58 -2.897 11.185 -17.118 428 3HZ LYS 58 3HZ LYS 58 -3.629 11.715 -18.548 429 H LEU 59 H LEU 59 3.765 7.913 -16.801 430 HA LEU 59 HA LEU 59 5.422 7.045 -19.040 431 1HB LEU 59 1HB LEU 59 6.056 7.744 -16.179 432 2HB LEU 59 2HB LEU 59 7.242 7.056 -17.275 433 HG LEU 59 HG LEU 59 5.770 9.614 -17.885 434 1HD1 LEU 59 1HD1 LEU 59 7.017 9.850 -15.777 435 2HD1 LEU 59 2HD1 LEU 59 8.480 9.312 -16.601 436 3HD1 LEU 59 3HD1 LEU 59 7.705 10.821 -17.078 437 1HD2 LEU 59 1HD2 LEU 59 6.782 8.450 -19.784 438 2HD2 LEU 59 2HD2 LEU 59 7.618 9.963 -19.438 439 3HD2 LEU 59 3HD2 LEU 59 8.333 8.428 -18.946 440 H LEU 60 H LEU 60 4.783 5.880 -15.702 441 HA LEU 60 HA LEU 60 5.540 3.184 -16.557 442 1HB LEU 60 1HB LEU 60 4.907 4.299 -13.823 443 2HB LEU 60 2HB LEU 60 5.433 2.657 -14.141 444 HG LEU 60 HG LEU 60 7.239 4.733 -15.205 445 1HD1 LEU 60 1HD1 LEU 60 6.720 4.482 -12.254 446 2HD1 LEU 60 2HD1 LEU 60 8.259 5.051 -12.898 447 3HD1 LEU 60 3HD1 LEU 60 6.776 5.943 -13.238 448 1HD2 LEU 60 1HD2 LEU 60 7.593 2.206 -15.087 449 2HD2 LEU 60 2HD2 LEU 60 8.922 3.235 -14.553 450 3HD2 LEU 60 3HD2 LEU 60 7.883 2.448 -13.365 451 H GLN 61 H GLN 61 4.187 1.408 -16.434 452 HA GLN 61 HA GLN 61 1.321 2.006 -16.054 453 1HB GLN 61 1HB GLN 61 1.035 -0.139 -17.478 454 2HB GLN 61 2HB GLN 61 1.483 1.354 -18.289 455 1HG GLN 61 1HG GLN 61 3.605 -0.549 -17.403 456 2HG GLN 61 2HG GLN 61 2.692 -0.864 -18.878 457 1HE2 GLN 61 2HE2 GLN 61 5.192 -0.621 -19.375 458 2HE2 GLN 61 1HE2 GLN 61 5.627 0.931 -19.994 459 HA PRO 62 HA PRO 62 1.180 -0.603 -12.469 460 1HB PRO 62 1HB PRO 62 -1.290 -1.744 -13.692 461 2HB PRO 62 2HB PRO 62 -1.026 -1.122 -12.060 462 1HG PRO 62 1HG PRO 62 -2.344 0.325 -13.852 463 2HG PRO 62 2HG PRO 62 -1.199 1.092 -12.735 464 1HD PRO 62 1HD PRO 62 -0.890 0.465 -15.634 465 2HD PRO 62 2HD PRO 62 -0.265 1.839 -14.701 466 H GLY 63 H GLY 63 2.232 -2.416 -12.022 467 1HA GLY 63 1HA GLY 63 2.776 -4.666 -12.081 468 2HA GLY 63 2HA GLY 63 1.708 -4.864 -13.459 469 H ASP 64 H ASP 64 4.189 -2.413 -13.547 470 HA ASP 64 HA ASP 64 5.439 -3.809 -15.760 471 1HB ASP 64 1HB ASP 64 6.708 -1.673 -16.021 472 2HB ASP 64 2HB ASP 64 4.968 -1.442 -16.024 473 H LYS 65 H LYS 65 8.050 -3.088 -15.671 474 HA LYS 65 HA LYS 65 9.118 -4.053 -13.114 475 1HB LYS 65 1HB LYS 65 8.763 -5.965 -14.745 476 2HB LYS 65 2HB LYS 65 10.033 -5.241 -15.718 477 1HG LYS 65 1HG LYS 65 11.635 -5.533 -13.953 478 2HG LYS 65 2HG LYS 65 10.375 -6.104 -12.857 479 1HD LYS 65 1HD LYS 65 10.027 -8.073 -14.196 480 2HD LYS 65 2HD LYS 65 11.126 -7.474 -15.438 481 1HE LYS 65 1HE LYS 65 12.885 -7.447 -13.555 482 2HE LYS 65 2HE LYS 65 11.758 -8.492 -12.690 483 1HZ LYS 65 1HZ LYS 65 11.818 -9.980 -14.667 484 2HZ LYS 65 2HZ LYS 65 13.066 -9.031 -15.298 485 3HZ LYS 65 3HZ LYS 65 13.290 -9.867 -13.844 486 H ILE 66 H ILE 66 10.840 -2.972 -12.460 487 HA ILE 66 HA ILE 66 12.115 -1.086 -14.294 488 HB ILE 66 HB ILE 66 12.347 -1.362 -11.279 489 1HG1 ILE 66 1HG1 ILE 66 11.093 0.898 -11.448 490 2HG1 ILE 66 2HG1 ILE 66 10.686 0.383 -13.081 491 1HG2 ILE 66 1HG2 ILE 66 13.402 0.799 -13.111 492 2HG2 ILE 66 2HG2 ILE 66 13.397 0.872 -11.348 493 3HG2 ILE 66 3HG2 ILE 66 14.365 -0.347 -12.176 494 1HD1 ILE 66 1HD1 ILE 66 10.138 -1.440 -10.793 495 2HD1 ILE 66 2HD1 ILE 66 9.061 -0.079 -11.111 496 3HD1 ILE 66 3HD1 ILE 66 9.321 -1.306 -12.351 497 H ILE 67 H ILE 67 13.943 -1.651 -15.291 498 HA ILE 67 HA ILE 67 15.476 -3.928 -14.308 499 HB ILE 67 HB ILE 67 15.976 -2.386 -16.853 500 1HG1 ILE 67 1HG1 ILE 67 13.661 -3.183 -16.880 501 2HG1 ILE 67 2HG1 ILE 67 14.644 -4.116 -18.004 502 1HG2 ILE 67 1HG2 ILE 67 17.778 -3.861 -16.039 503 2HG2 ILE 67 2HG2 ILE 67 16.656 -5.221 -16.085 504 3HG2 ILE 67 3HG2 ILE 67 17.103 -4.395 -17.579 505 1HD1 ILE 67 1HD1 ILE 67 14.084 -5.072 -15.220 506 2HD1 ILE 67 2HD1 ILE 67 12.984 -5.384 -16.563 507 3HD1 ILE 67 3HD1 ILE 67 14.637 -5.998 -16.616 508 H GLN 68 H GLN 68 15.859 -0.457 -14.810 509 HA GLN 68 HA GLN 68 18.290 -0.550 -13.201 510 1HB GLN 68 1HB GLN 68 18.181 0.191 -16.073 511 2HB GLN 68 2HB GLN 68 19.161 1.220 -15.036 512 1HG GLN 68 1HG GLN 68 20.455 -0.696 -14.313 513 2HG GLN 68 2HG GLN 68 19.441 -1.767 -15.278 514 1HE2 GLN 68 2HE2 GLN 68 21.138 1.307 -15.819 515 2HE2 GLN 68 1HE2 GLN 68 21.928 0.810 -17.273 516 H ALA 69 H ALA 69 18.796 1.384 -12.151 517 HA ALA 69 HA ALA 69 16.919 3.618 -12.477 518 1HB ALA 69 1HB ALA 69 16.140 2.104 -10.643 519 2HB ALA 69 2HB ALA 69 17.627 2.486 -9.775 520 3HB ALA 69 3HB ALA 69 16.465 3.762 -10.139 521 H ASN 70 H ASN 70 18.101 5.357 -12.889 522 HA ASN 70 HA ASN 70 19.823 6.857 -12.960 523 1HB ASN 70 1HB ASN 70 19.838 6.123 -10.032 524 2HB ASN 70 2HB ASN 70 20.697 7.504 -10.709 525 1HD2 ASN 70 2HD2 ASN 70 19.572 9.101 -9.730 526 2HD2 ASN 70 1HD2 ASN 70 17.894 9.412 -10.005 527 H GLY 71 H GLY 71 20.618 4.055 -13.496 528 1HA GLY 71 1HA GLY 71 22.784 3.444 -14.295 529 2HA GLY 71 2HA GLY 71 23.495 4.427 -13.027 530 H TYR 72 H TYR 72 21.505 3.151 -11.073 531 HA TYR 72 HA TYR 72 23.210 0.881 -10.449 532 1HB TYR 72 1HB TYR 72 20.956 2.189 -8.911 533 2HB TYR 72 2HB TYR 72 21.904 0.829 -8.318 534 HD1 TYR 72 HD1 TYR 72 24.555 1.267 -8.454 535 HD2 TYR 72 HD2 TYR 72 21.567 4.286 -8.191 536 HE1 TYR 72 HE1 TYR 72 26.219 2.826 -7.534 537 HE2 TYR 72 HE2 TYR 72 23.224 5.853 -7.272 538 HH TYR 72 HH TYR 72 26.291 5.659 -7.545 539 H SER 73 H SER 73 22.684 -1.177 -10.805 540 HA SER 73 HA SER 73 20.371 -1.880 -12.269 541 1HB SER 73 1HB SER 73 22.111 -3.804 -10.722 542 2HB SER 73 2HB SER 73 21.180 -4.121 -12.185 543 HG SER 73 HG SER 73 22.624 -2.962 -13.363 544 H PHE 74 H PHE 74 18.398 -2.497 -11.641 545 HA PHE 74 HA PHE 74 17.897 -2.769 -8.758 546 1HB PHE 74 1HB PHE 74 16.465 -1.512 -10.974 547 2HB PHE 74 2HB PHE 74 15.418 -2.542 -10.003 548 HD1 PHE 74 HD1 PHE 74 18.274 -0.312 -9.108 549 HD2 PHE 74 HD2 PHE 74 14.145 -1.223 -8.632 550 HE1 PHE 74 HE1 PHE 74 18.075 1.479 -7.430 551 HE2 PHE 74 HE2 PHE 74 13.938 0.565 -6.957 552 HZ PHE 74 HZ PHE 74 15.904 1.918 -6.353 553 H ILE 75 H ILE 75 18.815 -4.956 -10.725 554 HA ILE 75 HA ILE 75 16.519 -6.768 -10.495 555 HB ILE 75 HB ILE 75 17.536 -6.550 -12.726 556 1HG1 ILE 75 1HG1 ILE 75 18.024 -9.059 -13.041 557 2HG1 ILE 75 2HG1 ILE 75 17.707 -9.203 -11.315 558 1HG2 ILE 75 1HG2 ILE 75 20.003 -7.715 -11.443 559 2HG2 ILE 75 2HG2 ILE 75 19.763 -7.474 -13.174 560 3HG2 ILE 75 3HG2 ILE 75 19.830 -6.083 -12.091 561 1HD1 ILE 75 1HD1 ILE 75 15.722 -7.875 -13.106 562 2HD1 ILE 75 2HD1 ILE 75 15.799 -9.634 -12.993 563 3HD1 ILE 75 3HD1 ILE 75 15.472 -8.671 -11.553 564 H ASN 76 H ASN 76 16.591 -8.649 -9.343 565 HA ASN 76 HA ASN 76 17.212 -10.169 -7.771 566 1HB ASN 76 1HB ASN 76 20.020 -9.374 -8.569 567 2HB ASN 76 2HB ASN 76 19.622 -10.729 -7.519 568 1HD2 ASN 76 2HD2 ASN 76 21.000 -11.556 -9.469 569 2HD2 ASN 76 1HD2 ASN 76 20.075 -12.254 -10.749 570 H ILE 77 H ILE 77 17.307 -7.007 -7.234 571 HA ILE 77 HA ILE 77 18.881 -6.987 -4.806 572 HB ILE 77 HB ILE 77 18.193 -4.614 -4.619 573 1HG1 ILE 77 1HG1 ILE 77 17.004 -4.871 -7.370 574 2HG1 ILE 77 2HG1 ILE 77 16.006 -5.077 -5.932 575 1HG2 ILE 77 1HG2 ILE 77 19.380 -5.487 -7.248 576 2HG2 ILE 77 2HG2 ILE 77 19.457 -3.847 -6.604 577 3HG2 ILE 77 3HG2 ILE 77 20.245 -5.170 -5.743 578 1HD1 ILE 77 1HD1 ILE 77 17.633 -2.631 -6.582 579 2HD1 ILE 77 2HD1 ILE 77 15.896 -2.805 -6.831 580 3HD1 ILE 77 3HD1 ILE 77 16.561 -2.840 -5.198 581 H GLU 78 H GLU 78 18.083 -6.307 -2.775 582 HA GLU 78 HA GLU 78 15.580 -7.576 -2.097 583 1HB GLU 78 1HB GLU 78 17.543 -6.092 -0.340 584 2HB GLU 78 2HB GLU 78 16.198 -7.073 0.227 585 1HG GLU 78 1HG GLU 78 17.329 -8.957 -1.150 586 2HG GLU 78 2HG GLU 78 18.757 -7.929 -1.047 587 H HIS 79 H HIS 79 13.840 -6.548 -0.966 588 HA HIS 79 HA HIS 79 12.795 -4.282 -2.126 589 1HB HIS 79 1HB HIS 79 11.635 -6.003 -0.651 590 2HB HIS 79 2HB HIS 79 12.194 -5.054 0.723 591 HD1 HIS 79 HD1 HIS 79 9.562 -5.215 -1.829 592 HD2 HIS 79 HD2 HIS 79 11.073 -2.392 0.821 593 HE1 HIS 79 HE1 HIS 79 7.826 -3.398 -1.717 594 HE2 HIS 79 HE2 HIS 79 8.724 -1.744 -0.043 595 H GLY 80 H GLY 80 14.322 -4.376 1.121 596 1HA GLY 80 1HA GLY 80 14.146 -1.672 1.715 597 2HA GLY 80 2HA GLY 80 15.397 -2.742 2.327 598 H GLN 81 H GLN 81 16.396 -3.263 -0.433 599 HA GLN 81 HA GLN 81 18.280 -1.115 -0.537 600 1HB GLN 81 1HB GLN 81 18.719 -3.540 -1.152 601 2HB GLN 81 2HB GLN 81 17.842 -3.230 -2.644 602 1HG GLN 81 1HG GLN 81 20.125 -3.010 -3.162 603 2HG GLN 81 2HG GLN 81 19.477 -1.372 -3.088 604 1HE2 GLN 81 2HE2 GLN 81 21.512 -3.728 -1.540 605 2HE2 GLN 81 1HE2 GLN 81 22.310 -2.633 -0.467 606 H ALA 82 H ALA 82 15.527 -2.125 -2.514 607 HA ALA 82 HA ALA 82 15.842 -0.204 -4.552 608 1HB ALA 82 1HB ALA 82 14.471 -2.233 -4.772 609 2HB ALA 82 2HB ALA 82 13.301 -1.546 -3.645 610 3HB ALA 82 3HB ALA 82 13.582 -0.772 -5.205 611 H VAL 83 H VAL 83 13.518 -0.228 -1.832 612 HA VAL 83 HA VAL 83 12.436 2.302 -2.265 613 HB VAL 83 HB VAL 83 12.809 1.084 0.471 614 1HG1 VAL 83 1HG1 VAL 83 11.948 3.397 0.362 615 2HG1 VAL 83 2HG1 VAL 83 10.609 2.827 -0.633 616 3HG1 VAL 83 3HG1 VAL 83 10.776 2.261 1.029 617 1HG2 VAL 83 1HG2 VAL 83 10.853 0.379 -1.698 618 2HG2 VAL 83 2HG2 VAL 83 11.884 -0.693 -0.752 619 3HG2 VAL 83 3HG2 VAL 83 10.500 0.093 0.006 620 H SER 84 H SER 84 15.213 1.371 -0.275 621 HA SER 84 HA SER 84 15.728 3.876 0.862 622 1HB SER 84 1HB SER 84 17.523 1.527 0.259 623 2HB SER 84 2HB SER 84 18.101 2.967 1.097 624 HG SER 84 HG SER 84 16.248 1.036 1.940 625 H LEU 85 H LEU 85 16.927 2.435 -2.153 626 HA LEU 85 HA LEU 85 18.710 4.523 -2.808 627 1HB LEU 85 1HB LEU 85 17.446 2.263 -4.284 628 2HB LEU 85 2HB LEU 85 18.190 3.540 -5.227 629 HG LEU 85 HG LEU 85 19.565 1.834 -3.150 630 1HD1 LEU 85 1HD1 LEU 85 19.048 0.709 -5.295 631 2HD1 LEU 85 2HD1 LEU 85 19.954 1.966 -6.138 632 3HD1 LEU 85 3HD1 LEU 85 20.779 0.893 -5.008 633 1HD2 LEU 85 1HD2 LEU 85 20.492 4.197 -4.757 634 2HD2 LEU 85 2HD2 LEU 85 20.620 3.926 -3.019 635 3HD2 LEU 85 3HD2 LEU 85 21.620 2.993 -4.134 636 H LEU 86 H LEU 86 15.357 3.897 -3.832 637 HA LEU 86 HA LEU 86 15.156 6.122 -5.543 638 1HB LEU 86 1HB LEU 86 13.163 4.367 -4.167 639 2HB LEU 86 2HB LEU 86 12.624 5.794 -5.034 640 HG LEU 86 HG LEU 86 14.314 3.653 -6.316 641 1HD1 LEU 86 1HD1 LEU 86 11.316 3.919 -6.249 642 2HD1 LEU 86 2HD1 LEU 86 12.206 2.872 -7.355 643 3HD1 LEU 86 3HD1 LEU 86 12.282 2.586 -5.616 644 1HD2 LEU 86 1HD2 LEU 86 14.218 5.971 -7.309 645 2HD2 LEU 86 2HD2 LEU 86 13.704 4.660 -8.370 646 3HD2 LEU 86 3HD2 LEU 86 12.499 5.687 -7.590 647 H LYS 87 H LYS 87 14.361 5.738 -2.108 648 HA LYS 87 HA LYS 87 13.130 8.238 -1.762 649 1HB LYS 87 1HB LYS 87 14.561 6.416 0.173 650 2HB LYS 87 2HB LYS 87 13.712 7.873 0.671 651 1HG LYS 87 1HG LYS 87 12.248 5.885 -0.981 652 2HG LYS 87 2HG LYS 87 12.545 5.521 0.720 653 1HD LYS 87 1HD LYS 87 11.604 7.882 1.158 654 2HD LYS 87 2HD LYS 87 10.964 7.766 -0.482 655 1HE LYS 87 1HE LYS 87 9.919 5.575 0.221 656 2HE LYS 87 2HE LYS 87 10.356 5.998 1.875 657 1HZ LYS 87 1HZ LYS 87 9.038 8.029 1.641 658 2HZ LYS 87 2HZ LYS 87 8.584 7.565 0.078 659 3HZ LYS 87 3HZ LYS 87 8.093 6.645 1.411 660 H THR 88 H THR 88 16.547 7.280 -1.379 661 HA THR 88 HA THR 88 17.364 9.775 -0.312 662 HB THR 88 HB THR 88 18.597 7.688 0.063 663 HG1 THR 88 HG1 THR 88 20.474 8.691 0.109 664 1HG2 THR 88 1HG2 THR 88 20.270 7.330 -2.040 665 2HG2 THR 88 2HG2 THR 88 18.860 6.331 -1.685 666 3HG2 THR 88 3HG2 THR 88 18.736 7.645 -2.855 667 H PHE 89 H PHE 89 16.944 8.688 -3.616 668 HA PHE 89 HA PHE 89 18.760 10.293 -4.953 669 1HB PHE 89 1HB PHE 89 16.007 9.388 -5.774 670 2HB PHE 89 2HB PHE 89 17.073 10.269 -6.858 671 HD1 PHE 89 HD1 PHE 89 19.697 8.870 -5.951 672 HD2 PHE 89 HD2 PHE 89 15.837 7.407 -7.010 673 HE1 PHE 89 HE1 PHE 89 20.696 6.740 -6.644 674 HE2 PHE 89 HE2 PHE 89 16.841 5.277 -7.710 675 HZ PHE 89 HZ PHE 89 19.271 4.940 -7.527 676 H GLN 90 H GLN 90 18.530 12.228 -6.165 677 HA GLN 90 HA GLN 90 17.695 14.420 -4.630 678 1HB GLN 90 1HB GLN 90 18.414 15.765 -6.536 679 2HB GLN 90 2HB GLN 90 19.547 14.452 -6.251 680 1HG GLN 90 1HG GLN 90 17.931 13.278 -8.048 681 2HG GLN 90 2HG GLN 90 17.775 14.962 -8.546 682 1HE2 GLN 90 2HE2 GLN 90 19.619 12.176 -8.764 683 2HE2 GLN 90 1HE2 GLN 90 21.030 12.853 -9.493 684 H ASN 91 H ASN 91 16.492 15.970 -7.071 685 HA ASN 91 HA ASN 91 13.757 15.455 -6.345 686 1HB ASN 91 1HB ASN 91 14.972 17.430 -8.285 687 2HB ASN 91 2HB ASN 91 13.271 17.385 -7.833 688 1HD2 ASN 91 2HD2 ASN 91 15.852 19.134 -7.369 689 2HD2 ASN 91 1HD2 ASN 91 15.663 19.613 -5.720 690 H THR 92 H THR 92 15.430 15.623 -9.504 691 HA THR 92 HA THR 92 13.252 14.141 -10.729 692 HB THR 92 HB THR 92 15.580 14.628 -12.444 693 HG1 THR 92 HG1 THR 92 15.537 16.833 -12.377 694 1HG2 THR 92 1HG2 THR 92 12.992 16.023 -12.807 695 2HG2 THR 92 2HG2 THR 92 14.048 15.256 -13.994 696 3HG2 THR 92 3HG2 THR 92 13.021 14.265 -12.958 697 H VAL 93 H VAL 93 13.308 12.042 -11.344 698 HA VAL 93 HA VAL 93 15.830 10.563 -10.928 699 HB VAL 93 HB VAL 93 13.108 9.420 -10.298 700 1HG1 VAL 93 1HG1 VAL 93 14.948 7.851 -10.816 701 2HG1 VAL 93 2HG1 VAL 93 15.865 8.531 -9.470 702 3HG1 VAL 93 3HG1 VAL 93 14.342 7.693 -9.167 703 1HG2 VAL 93 1HG2 VAL 93 13.569 11.331 -8.799 704 2HG2 VAL 93 2HG2 VAL 93 13.548 9.788 -7.944 705 3HG2 VAL 93 3HG2 VAL 93 15.085 10.564 -8.323 706 H GLU 94 H GLU 94 16.477 9.446 -12.640 707 HA GLU 94 HA GLU 94 14.563 8.935 -14.807 708 1HB GLU 94 1HB GLU 94 17.578 9.072 -14.744 709 2HB GLU 94 2HB GLU 94 16.688 8.467 -16.135 710 1HG GLU 94 1HG GLU 94 15.498 10.641 -16.250 711 2HG GLU 94 2HG GLU 94 16.537 11.230 -14.953 712 H LEU 95 H LEU 95 13.692 6.958 -14.836 713 HA LEU 95 HA LEU 95 15.294 4.694 -13.823 714 1HB LEU 95 1HB LEU 95 12.300 5.057 -13.929 715 2HB LEU 95 2HB LEU 95 13.102 3.580 -13.428 716 HG LEU 95 HG LEU 95 14.276 5.112 -11.674 717 1HD1 LEU 95 1HD1 LEU 95 11.933 6.767 -12.558 718 2HD1 LEU 95 2HD1 LEU 95 12.621 6.904 -10.940 719 3HD1 LEU 95 3HD1 LEU 95 13.615 7.257 -12.353 720 1HD2 LEU 95 1HD2 LEU 95 11.415 4.190 -11.560 721 2HD2 LEU 95 2HD2 LEU 95 12.854 3.358 -10.969 722 3HD2 LEU 95 3HD2 LEU 95 12.280 4.815 -10.156 723 H ILE 96 H ILE 96 14.894 2.599 -14.808 724 HA ILE 96 HA ILE 96 14.239 2.797 -17.680 725 HB ILE 96 HB ILE 96 16.162 0.805 -16.476 726 1HG1 ILE 96 1HG1 ILE 96 17.045 3.087 -16.157 727 2HG1 ILE 96 2HG1 ILE 96 17.992 2.183 -17.334 728 1HG2 ILE 96 1HG2 ILE 96 15.504 1.626 -19.294 729 2HG2 ILE 96 2HG2 ILE 96 16.905 0.644 -18.868 730 3HG2 ILE 96 3HG2 ILE 96 15.278 0.047 -18.544 731 1HD1 ILE 96 1HD1 ILE 96 15.803 3.827 -18.419 732 2HD1 ILE 96 2HD1 ILE 96 17.167 4.695 -17.713 733 3HD1 ILE 96 3HD1 ILE 96 17.434 3.552 -19.030 734 H ILE 97 H ILE 97 12.656 1.467 -18.399 735 HA ILE 97 HA ILE 97 11.945 -0.876 -16.765 736 HB ILE 97 HB ILE 97 9.556 -0.404 -17.072 737 1HG1 ILE 97 1HG1 ILE 97 10.152 2.406 -17.892 738 2HG1 ILE 97 2HG1 ILE 97 10.165 1.159 -19.135 739 1HG2 ILE 97 1HG2 ILE 97 11.053 0.491 -15.143 740 2HG2 ILE 97 2HG2 ILE 97 10.721 2.066 -15.862 741 3HG2 ILE 97 3HG2 ILE 97 9.391 1.060 -15.292 742 1HD1 ILE 97 1HD1 ILE 97 7.843 0.560 -17.991 743 2HD1 ILE 97 2HD1 ILE 97 7.912 2.274 -17.585 744 3HD1 ILE 97 3HD1 ILE 97 7.992 1.765 -19.271 745 H VAL 98 H VAL 98 10.435 -2.388 -17.965 746 HA VAL 98 HA VAL 98 10.720 -2.267 -20.874 747 HB VAL 98 HB VAL 98 11.555 -4.729 -19.334 748 1HG1 VAL 98 1HG1 VAL 98 11.726 -4.001 -22.256 749 2HG1 VAL 98 2HG1 VAL 98 12.485 -5.419 -21.531 750 3HG1 VAL 98 3HG1 VAL 98 10.729 -5.260 -21.529 751 1HG2 VAL 98 1HG2 VAL 98 13.133 -2.856 -18.975 752 2HG2 VAL 98 2HG2 VAL 98 13.846 -4.199 -19.867 753 3HG2 VAL 98 3HG2 VAL 98 13.346 -2.739 -20.721 754 H ARG 99 H ARG 99 9.352 -3.714 -22.025 755 HA ARG 99 HA ARG 99 7.033 -4.658 -20.468 756 1HB ARG 99 1HB ARG 99 7.026 -2.799 -22.481 757 2HB ARG 99 2HB ARG 99 6.688 -4.274 -23.378 758 1HG ARG 99 1HG ARG 99 4.556 -3.873 -22.846 759 2HG ARG 99 2HG ARG 99 4.987 -4.523 -21.266 760 1HD ARG 99 1HD ARG 99 5.739 -1.960 -20.934 761 2HD ARG 99 2HD ARG 99 4.428 -1.742 -22.092 762 HE ARG 99 HE ARG 99 2.921 -2.346 -20.465 763 1HH1 ARG 99 1HH1 ARG 99 6.159 -3.118 -19.337 764 2HH1 ARG 99 2HH1 ARG 99 5.633 -3.483 -17.728 765 1HH2 ARG 99 1HH2 ARG 99 2.259 -2.829 -18.346 766 2HH2 ARG 99 2HH2 ARG 99 3.429 -3.318 -17.167 767 H GLU 100 H GLU 100 7.182 -6.808 -20.209 768 HA GLU 100 HA GLU 100 8.741 -8.477 -21.899 769 1HB GLU 100 1HB GLU 100 6.661 -9.298 -19.870 770 2HB GLU 100 2HB GLU 100 7.936 -10.314 -20.530 771 1HG GLU 100 1HG GLU 100 9.034 -9.741 -18.670 772 2HG GLU 100 2HG GLU 100 9.393 -8.260 -19.556 773 H VAL 101 H VAL 101 8.182 -9.985 -23.403 774 HA VAL 101 HA VAL 101 5.400 -10.402 -24.121 775 HB VAL 101 HB VAL 101 5.830 -9.892 -26.529 776 1HG1 VAL 101 1HG1 VAL 101 4.632 -8.338 -25.022 777 2HG1 VAL 101 2HG1 VAL 101 6.159 -7.516 -24.703 778 3HG1 VAL 101 3HG1 VAL 101 5.481 -7.518 -26.331 779 1HG2 VAL 101 1HG2 VAL 101 8.415 -8.916 -25.383 780 2HG2 VAL 101 2HG2 VAL 101 8.128 -9.893 -26.823 781 3HG2 VAL 101 3HG2 VAL 101 7.745 -8.171 -26.835 782 H SER 102 H SER 102 5.369 -12.578 -24.054 783 HA SER 102 HA SER 102 7.015 -14.054 -25.912 784 1HB SER 102 1HB SER 102 8.450 -13.884 -23.874 785 2HB SER 102 2HB SER 102 7.190 -14.720 -22.965 786 HG SER 102 HG SER 102 8.820 -16.147 -23.727 787 H SER 103 H SER 103 5.995 -15.837 -26.648 788 HA SER 103 HA SER 103 3.329 -16.369 -25.619 789 1HB SER 103 1HB SER 103 4.737 -17.580 -28.011 790 2HB SER 103 2HB SER 103 3.017 -17.697 -27.635 791 HG SER 103 HG SER 103 4.491 -15.534 -28.613 792 1H THR 301 1H THR 301 1.380 -0.021 2.481 793 2H THR 301 2H THR 301 0.624 1.456 2.919 794 3H THR 301 3H THR 301 -0.330 0.099 2.480 795 HA THR 301 HA THR 301 1.450 0.268 4.818 796 HB THR 301 HB THR 301 -0.934 0.112 5.917 797 HG1 THR 301 HG1 THR 301 -1.534 1.396 3.462 798 1HG2 THR 301 1HG2 THR 301 -1.172 2.694 5.561 799 2HG2 THR 301 2HG2 THR 301 0.152 2.027 6.518 800 3HG2 THR 301 3HG2 THR 301 0.433 2.525 4.850 801 H GLY 302 H GLY 302 2.335 -1.790 4.325 802 1HA GLY 302 1HA GLY 302 1.526 -3.979 5.553 803 2HA GLY 302 2HA GLY 302 0.483 -4.045 4.142 804 H TRP 303 H TRP 303 1.572 -4.038 2.008 805 HA TRP 303 HA TRP 303 4.153 -5.465 2.155 806 1HB TRP 303 1HB TRP 303 3.407 -6.438 -0.103 807 2HB TRP 303 2HB TRP 303 2.603 -7.038 1.341 808 HD1 TRP 303 HD1 TRP 303 0.072 -6.020 1.801 809 HE1 TRP 303 HE1 TRP 303 -1.737 -5.325 0.106 810 HE3 TRP 303 HE3 TRP 303 3.009 -5.484 -2.347 811 HZ2 TRP 303 HZ2 TRP 303 -1.895 -4.643 -2.627 812 HZ3 TRP 303 HZ3 TRP 303 1.952 -4.808 -4.464 813 HH2 TRP 303 HH2 TRP 303 -0.451 -4.397 -4.599 814 H GLU 304 H GLU 304 2.209 -3.418 -0.032 815 HA GLU 304 HA GLU 304 4.495 -2.689 -1.605 816 1HB GLU 304 1HB GLU 304 2.937 -1.133 -2.724 817 2HB GLU 304 2HB GLU 304 2.287 -2.763 -2.620 818 1HG GLU 304 1HG GLU 304 0.440 -1.787 -1.852 819 2HG GLU 304 2HG GLU 304 1.324 -1.632 -0.334 820 H THR 305 H THR 305 5.620 -0.774 -1.640 821 HA THR 305 HA THR 305 5.181 1.045 0.643 822 HB THR 305 HB THR 305 7.838 0.479 -0.680 823 HG1 THR 305 HG1 THR 305 6.765 -0.635 1.697 824 1HG2 THR 305 1HG2 THR 305 8.611 1.253 1.650 825 2HG2 THR 305 2HG2 THR 305 8.107 2.464 0.469 826 3HG2 THR 305 3HG2 THR 305 7.009 1.982 1.763 827 H TRP 306 H TRP 306 4.898 3.144 0.184 828 HA TRP 306 HA TRP 306 4.993 3.961 -2.608 829 1HB TRP 306 1HB TRP 306 3.835 5.202 -0.118 830 2HB TRP 306 2HB TRP 306 3.938 6.088 -1.637 831 HD1 TRP 306 HD1 TRP 306 2.091 3.173 0.013 832 HE1 TRP 306 HE1 TRP 306 0.035 2.585 -1.421 833 HE3 TRP 306 HE3 TRP 306 3.024 6.175 -4.019 834 HZ2 TRP 306 HZ2 TRP 306 -1.045 3.300 -3.928 835 HZ3 TRP 306 HZ3 TRP 306 1.429 6.164 -5.894 836 HH2 TRP 306 HH2 TRP 306 -0.564 4.754 -5.847 837 H VAL 307 H VAL 307 6.963 4.544 -3.280 838 HA VAL 307 HA VAL 307 8.898 5.779 -1.573 839 HB VAL 307 HB VAL 307 10.211 6.068 -3.691 840 1HG1 VAL 307 1HG1 VAL 307 9.123 3.338 -3.024 841 2HG1 VAL 307 2HG1 VAL 307 10.521 3.619 -4.064 842 3HG1 VAL 307 3HG1 VAL 307 10.569 4.107 -2.369 843 1HG2 VAL 307 1HG2 VAL 307 8.074 6.200 -5.094 844 2HG2 VAL 307 2HG2 VAL 307 9.432 5.288 -5.756 845 3HG2 VAL 307 3HG2 VAL 307 8.071 4.437 -5.023 Start of MODEL 20 1 1H GLY 1 1H GLY 1 24.763 -17.291 -43.218 2 2H GLY 1 2H GLY 1 23.932 -15.827 -43.373 3 3H GLY 1 3H GLY 1 23.626 -16.837 -42.051 4 1HA GLY 1 1HA GLY 1 25.723 -16.424 -41.091 5 2HA GLY 1 2HA GLY 1 26.290 -15.651 -42.563 6 H SER 2 H SER 2 23.227 -15.218 -40.826 7 HA SER 2 HA SER 2 23.749 -12.340 -40.762 8 1HB SER 2 1HB SER 2 21.212 -13.891 -40.185 9 2HB SER 2 2HB SER 2 21.350 -12.134 -40.216 10 HG SER 2 HG SER 2 21.347 -12.167 -42.327 11 H HIS 3 H HIS 3 22.952 -11.165 -38.774 12 HA HIS 3 HA HIS 3 24.254 -12.300 -36.469 13 1HB HIS 3 1HB HIS 3 22.849 -9.667 -36.936 14 2HB HIS 3 2HB HIS 3 23.586 -10.110 -35.399 15 HD1 HIS 3 HD1 HIS 3 24.780 -10.126 -39.024 16 HD2 HIS 3 HD2 HIS 3 26.037 -9.008 -35.224 17 HE1 HIS 3 HE1 HIS 3 27.082 -9.158 -39.333 18 HE2 HIS 3 HE2 HIS 3 27.788 -8.415 -37.032 19 H MET 4 H MET 4 23.332 -13.273 -34.772 20 HA MET 4 HA MET 4 20.475 -13.760 -34.844 21 1HB MET 4 1HB MET 4 22.716 -14.824 -33.130 22 2HB MET 4 2HB MET 4 21.030 -15.220 -32.827 23 1HG MET 4 1HG MET 4 20.855 -16.532 -34.681 24 2HG MET 4 2HG MET 4 22.091 -15.641 -35.565 25 1HE MET 4 1HE MET 4 23.725 -16.673 -36.352 26 2HE MET 4 2HE MET 4 24.931 -17.688 -35.563 27 3HE MET 4 3HE MET 4 23.470 -18.413 -36.232 28 H GLY 5 H GLY 5 19.157 -12.296 -33.982 29 1HA GLY 5 1HA GLY 5 20.021 -10.878 -31.535 30 2HA GLY 5 2HA GLY 5 18.882 -10.238 -32.710 31 H HIS 6 H HIS 6 16.775 -10.478 -32.321 32 HA HIS 6 HA HIS 6 15.817 -12.692 -30.698 33 1HB HIS 6 1HB HIS 6 15.455 -9.802 -29.885 34 2HB HIS 6 2HB HIS 6 14.543 -11.141 -29.198 35 HD1 HIS 6 HD1 HIS 6 17.357 -9.130 -28.474 36 HD2 HIS 6 HD2 HIS 6 16.536 -13.189 -28.115 37 HE1 HIS 6 HE1 HIS 6 19.014 -10.007 -26.797 38 HE2 HIS 6 HE2 HIS 6 18.548 -12.479 -26.655 39 H GLU 7 H GLU 7 13.698 -13.230 -31.100 40 HA GLU 7 HA GLU 7 12.368 -11.681 -33.229 41 1HB GLU 7 1HB GLU 7 11.270 -13.754 -33.892 42 2HB GLU 7 2HB GLU 7 13.014 -13.967 -33.878 43 1HG GLU 7 1HG GLU 7 12.545 -14.839 -31.436 44 2HG GLU 7 2HG GLU 7 10.943 -15.141 -32.105 45 H LEU 8 H LEU 8 12.145 -10.968 -30.483 46 HA LEU 8 HA LEU 8 9.267 -11.456 -30.073 47 1HB LEU 8 1HB LEU 8 11.382 -11.286 -27.920 48 2HB LEU 8 2HB LEU 8 9.654 -11.418 -27.641 49 HG LEU 8 HG LEU 8 9.919 -13.602 -29.109 50 1HD1 LEU 8 1HD1 LEU 8 12.674 -13.124 -27.999 51 2HD1 LEU 8 2HD1 LEU 8 12.085 -14.709 -28.502 52 3HD1 LEU 8 3HD1 LEU 8 12.216 -13.402 -29.679 53 1HD2 LEU 8 1HD2 LEU 8 9.086 -13.530 -26.819 54 2HD2 LEU 8 2HD2 LEU 8 10.196 -14.882 -27.043 55 3HD2 LEU 8 3HD2 LEU 8 10.739 -13.424 -26.211 56 H ALA 9 H ALA 9 8.468 -9.767 -28.317 57 HA ALA 9 HA ALA 9 9.391 -7.136 -29.265 58 1HB ALA 9 1HB ALA 9 6.723 -8.209 -28.488 59 2HB ALA 9 2HB ALA 9 7.044 -6.489 -28.275 60 3HB ALA 9 3HB ALA 9 7.184 -7.221 -29.874 61 H LYS 10 H LYS 10 10.990 -8.116 -27.339 62 HA LYS 10 HA LYS 10 10.083 -6.969 -24.796 63 1HB LYS 10 1HB LYS 10 11.942 -9.108 -25.569 64 2HB LYS 10 2HB LYS 10 12.582 -8.049 -24.319 65 1HG LYS 10 1HG LYS 10 11.429 -9.201 -22.820 66 2HG LYS 10 2HG LYS 10 9.946 -8.589 -23.550 67 1HD LYS 10 1HD LYS 10 9.584 -10.527 -24.754 68 2HD LYS 10 2HD LYS 10 11.292 -10.972 -24.751 69 1HE LYS 10 1HE LYS 10 11.062 -11.343 -22.263 70 2HE LYS 10 2HE LYS 10 9.321 -11.175 -22.484 71 1HZ LYS 10 1HZ LYS 10 10.996 -13.173 -23.903 72 2HZ LYS 10 2HZ LYS 10 10.106 -13.501 -22.503 73 3HZ LYS 10 3HZ LYS 10 9.308 -13.064 -23.928 74 H GLN 11 H GLN 11 10.429 -4.832 -24.732 75 HA GLN 11 HA GLN 11 13.045 -3.804 -25.653 76 1HB GLN 11 1HB GLN 11 11.884 -1.666 -26.095 77 2HB GLN 11 2HB GLN 11 11.237 -2.995 -27.047 78 1HG GLN 11 1HG GLN 11 9.739 -2.884 -24.654 79 2HG GLN 11 2HG GLN 11 9.879 -1.237 -25.259 80 1HE2 GLN 11 2HE2 GLN 11 8.672 -4.440 -25.897 81 2HE2 GLN 11 1HE2 GLN 11 7.610 -4.000 -27.188 82 H GLU 12 H GLU 12 13.335 -1.455 -24.603 83 HA GLU 12 HA GLU 12 12.513 -1.432 -21.813 84 1HB GLU 12 1HB GLU 12 14.781 -1.177 -20.957 85 2HB GLU 12 2HB GLU 12 14.639 -2.695 -21.830 86 1HG GLU 12 1HG GLU 12 16.442 -2.123 -22.970 87 2HG GLU 12 2HG GLU 12 15.490 -0.860 -23.739 88 H ILE 13 H ILE 13 11.603 0.489 -21.624 89 HA ILE 13 HA ILE 13 12.817 2.799 -22.998 90 HB ILE 13 HB ILE 13 10.665 3.971 -22.558 91 1HG1 ILE 13 1HG1 ILE 13 10.067 2.255 -20.677 92 2HG1 ILE 13 2HG1 ILE 13 8.781 2.927 -21.661 93 1HG2 ILE 13 1HG2 ILE 13 10.628 1.489 -24.261 94 2HG2 ILE 13 2HG2 ILE 13 9.429 2.780 -24.356 95 3HG2 ILE 13 3HG2 ILE 13 11.118 3.116 -24.734 96 1HD1 ILE 13 1HD1 ILE 13 9.712 0.493 -22.853 97 2HD1 ILE 13 2HD1 ILE 13 9.349 0.223 -21.148 98 3HD1 ILE 13 3HD1 ILE 13 8.115 0.887 -22.217 99 H ARG 14 H ARG 14 12.754 4.884 -21.898 100 HA ARG 14 HA ARG 14 13.329 4.581 -19.026 101 1HB ARG 14 1HB ARG 14 14.795 5.760 -21.156 102 2HB ARG 14 2HB ARG 14 14.305 7.071 -20.092 103 1HG ARG 14 1HG ARG 14 15.182 5.270 -18.281 104 2HG ARG 14 2HG ARG 14 16.220 4.883 -19.654 105 1HD ARG 14 1HD ARG 14 16.267 7.652 -19.560 106 2HD ARG 14 2HD ARG 14 16.268 7.178 -17.861 107 HE ARG 14 HE ARG 14 18.378 6.771 -19.789 108 1HH1 ARG 14 1HH1 ARG 14 17.069 5.753 -16.689 109 2HH1 ARG 14 2HH1 ARG 14 18.585 5.131 -16.127 110 1HH2 ARG 14 1HH2 ARG 14 20.349 5.949 -19.027 111 2HH2 ARG 14 2HH2 ARG 14 20.438 5.243 -17.448 112 H VAL 15 H VAL 15 12.609 6.182 -17.556 113 HA VAL 15 HA VAL 15 10.578 8.056 -18.542 114 HB VAL 15 HB VAL 15 10.127 6.332 -16.099 115 1HG1 VAL 15 1HG1 VAL 15 8.326 8.221 -17.612 116 2HG1 VAL 15 2HG1 VAL 15 7.817 7.184 -16.279 117 3HG1 VAL 15 3HG1 VAL 15 8.996 8.467 -15.999 118 1HG2 VAL 15 1HG2 VAL 15 8.985 6.028 -18.876 119 2HG2 VAL 15 2HG2 VAL 15 10.064 4.903 -18.051 120 3HG2 VAL 15 3HG2 VAL 15 8.425 5.157 -17.449 121 H ARG 16 H ARG 16 10.568 10.003 -17.520 122 HA ARG 16 HA ARG 16 12.548 10.375 -15.373 123 1HB ARG 16 1HB ARG 16 11.688 11.999 -17.688 124 2HB ARG 16 2HB ARG 16 11.943 12.907 -16.202 125 1HG ARG 16 1HG ARG 16 13.957 12.877 -17.545 126 2HG ARG 16 2HG ARG 16 14.207 12.002 -16.034 127 1HD ARG 16 1HD ARG 16 15.037 10.369 -17.321 128 2HD ARG 16 2HD ARG 16 13.360 10.017 -17.726 129 HE ARG 16 HE ARG 16 13.697 10.906 -19.824 130 1HH1 ARG 16 1HH1 ARG 16 16.478 11.674 -17.813 131 2HH1 ARG 16 2HH1 ARG 16 17.433 12.224 -19.149 132 1HH2 ARG 16 1HH2 ARG 16 14.970 11.638 -21.553 133 2HH2 ARG 16 2HH2 ARG 16 16.581 12.205 -21.261 134 H VAL 17 H VAL 17 11.671 10.387 -13.412 135 HA VAL 17 HA VAL 17 8.983 11.531 -13.048 136 HB VAL 17 HB VAL 17 10.499 9.814 -11.077 137 1HG1 VAL 17 1HG1 VAL 17 8.716 11.215 -10.138 138 2HG1 VAL 17 2HG1 VAL 17 7.569 10.506 -11.275 139 3HG1 VAL 17 3HG1 VAL 17 8.323 9.499 -10.039 140 1HG2 VAL 17 1HG2 VAL 17 10.057 8.635 -13.240 141 2HG2 VAL 17 2HG2 VAL 17 9.269 7.911 -11.838 142 3HG2 VAL 17 3HG2 VAL 17 8.335 8.895 -12.965 143 H GLU 18 H GLU 18 8.921 13.541 -12.291 144 HA GLU 18 HA GLU 18 11.210 14.601 -10.815 145 1HB GLU 18 1HB GLU 18 8.799 15.911 -12.080 146 2HB GLU 18 2HB GLU 18 9.961 16.793 -11.097 147 1HG GLU 18 1HG GLU 18 11.702 16.422 -12.643 148 2HG GLU 18 2HG GLU 18 10.766 15.209 -13.515 149 H LYS 19 H LYS 19 11.189 14.529 -8.677 150 HA LYS 19 HA LYS 19 8.843 13.926 -7.171 151 1HB LYS 19 1HB LYS 19 11.612 14.780 -6.327 152 2HB LYS 19 2HB LYS 19 10.344 14.323 -5.198 153 1HG LYS 19 1HG LYS 19 10.275 12.157 -6.711 154 2HG LYS 19 2HG LYS 19 11.938 12.642 -7.046 155 1HD LYS 19 1HD LYS 19 11.888 12.910 -4.360 156 2HD LYS 19 2HD LYS 19 10.723 11.601 -4.566 157 1HE LYS 19 1HE LYS 19 12.357 10.298 -5.790 158 2HE LYS 19 2HE LYS 19 13.515 11.624 -5.706 159 1HZ LYS 19 1HZ LYS 19 13.365 11.397 -3.229 160 2HZ LYS 19 2HZ LYS 19 12.507 9.960 -3.472 161 3HZ LYS 19 3HZ LYS 19 14.100 10.098 -4.026 162 H ASP 20 H ASP 20 7.393 15.237 -6.324 163 HA ASP 20 HA ASP 20 7.940 17.808 -5.279 164 1HB ASP 20 1HB ASP 20 8.034 18.170 -7.823 165 2HB ASP 20 2HB ASP 20 6.291 17.921 -7.799 166 HA PRO 21 HA PRO 21 7.776 17.361 -3.331 167 1HB PRO 21 1HB PRO 21 6.626 16.115 -1.043 168 2HB PRO 21 2HB PRO 21 6.841 17.840 -1.334 169 1HG PRO 21 1HG PRO 21 4.397 16.521 -1.169 170 2HG PRO 21 2HG PRO 21 4.658 18.123 -1.881 171 1HD PRO 21 1HD PRO 21 4.412 15.464 -3.227 172 2HD PRO 21 2HD PRO 21 3.796 17.051 -3.739 173 H GLU 22 H GLU 22 6.169 14.461 -4.255 174 HA GLU 22 HA GLU 22 8.592 12.938 -3.609 175 1HB GLU 22 1HB GLU 22 5.761 12.028 -3.074 176 2HB GLU 22 2HB GLU 22 7.177 10.988 -2.975 177 1HG GLU 22 1HG GLU 22 8.037 12.167 -1.127 178 2HG GLU 22 2HG GLU 22 6.904 13.499 -1.354 179 H LEU 23 H LEU 23 8.170 10.582 -4.662 180 HA LEU 23 HA LEU 23 8.291 10.995 -7.445 181 1HB LEU 23 1HB LEU 23 7.957 8.473 -5.829 182 2HB LEU 23 2HB LEU 23 8.186 8.485 -7.568 183 HG LEU 23 HG LEU 23 10.293 10.034 -6.706 184 1HD1 LEU 23 1HD1 LEU 23 9.921 7.802 -4.714 185 2HD1 LEU 23 2HD1 LEU 23 11.375 8.784 -4.897 186 3HD1 LEU 23 3HD1 LEU 23 9.867 9.531 -4.371 187 1HD2 LEU 23 1HD2 LEU 23 10.203 7.064 -7.225 188 2HD2 LEU 23 2HD2 LEU 23 10.502 8.345 -8.399 189 3HD2 LEU 23 3HD2 LEU 23 11.685 8.017 -7.134 190 H GLY 24 H GLY 24 5.792 9.273 -5.532 191 1HA GLY 24 1HA GLY 24 3.471 9.647 -5.863 192 2HA GLY 24 2HA GLY 24 3.812 10.175 -7.501 193 H PHE 25 H PHE 25 5.178 7.225 -6.170 194 HA PHE 25 HA PHE 25 3.112 5.555 -7.273 195 1HB PHE 25 1HB PHE 25 4.425 4.459 -8.981 196 2HB PHE 25 2HB PHE 25 4.420 6.187 -9.300 197 HD1 PHE 25 HD1 PHE 25 6.446 3.369 -8.074 198 HD2 PHE 25 HD2 PHE 25 6.440 7.439 -9.318 199 HE1 PHE 25 HE1 PHE 25 8.903 3.334 -8.187 200 HE2 PHE 25 HE2 PHE 25 8.899 7.410 -9.432 201 HZ PHE 25 HZ PHE 25 10.131 5.354 -8.867 202 H SER 26 H SER 26 3.213 3.432 -6.561 203 HA SER 26 HA SER 26 5.109 2.991 -4.373 204 1HB SER 26 1HB SER 26 3.476 1.036 -3.901 205 2HB SER 26 2HB SER 26 2.925 2.679 -3.584 206 HG SER 26 HG SER 26 1.641 1.009 -4.974 207 H ILE 27 H ILE 27 6.255 1.066 -4.130 208 HA ILE 27 HA ILE 27 6.521 -0.577 -6.569 209 HB ILE 27 HB ILE 27 8.901 -0.916 -5.968 210 1HG1 ILE 27 1HG1 ILE 27 8.626 1.415 -4.079 211 2HG1 ILE 27 2HG1 ILE 27 8.466 -0.246 -3.513 212 1HG2 ILE 27 1HG2 ILE 27 8.083 1.955 -6.385 213 2HG2 ILE 27 2HG2 ILE 27 9.690 1.295 -6.694 214 3HG2 ILE 27 3HG2 ILE 27 8.310 0.737 -7.640 215 1HD1 ILE 27 1HD1 ILE 27 10.864 0.524 -5.099 216 2HD1 ILE 27 2HD1 ILE 27 10.759 0.978 -3.398 217 3HD1 ILE 27 3HD1 ILE 27 10.679 -0.721 -3.863 218 H SER 28 H SER 28 6.864 -2.807 -6.269 219 HA SER 28 HA SER 28 6.784 -3.832 -3.531 220 1HB SER 28 1HB SER 28 4.425 -3.657 -4.245 221 2HB SER 28 2HB SER 28 4.786 -4.659 -5.652 222 HG SER 28 HG SER 28 4.629 -5.367 -2.947 223 H GLY 29 H GLY 29 7.135 -6.198 -3.446 224 1HA GLY 29 1HA GLY 29 7.892 -8.217 -4.493 225 2HA GLY 29 2HA GLY 29 8.551 -7.250 -5.804 226 H GLY 30 H GLY 30 10.608 -8.090 -5.687 227 1HA GLY 30 1HA GLY 30 12.824 -7.556 -4.993 228 2HA GLY 30 2HA GLY 30 12.194 -7.135 -3.405 229 H VAL 31 H VAL 31 14.423 -8.843 -3.929 230 HA VAL 31 HA VAL 31 13.576 -11.574 -3.604 231 HB VAL 31 HB VAL 31 16.345 -10.479 -3.100 232 1HG1 VAL 31 1HG1 VAL 31 15.916 -12.765 -2.315 233 2HG1 VAL 31 2HG1 VAL 31 15.403 -13.218 -3.940 234 3HG1 VAL 31 3HG1 VAL 31 17.072 -12.732 -3.645 235 1HG2 VAL 31 1HG2 VAL 31 15.071 -11.307 -5.703 236 2HG2 VAL 31 2HG2 VAL 31 15.767 -9.739 -5.296 237 3HG2 VAL 31 3HG2 VAL 31 16.811 -11.150 -5.469 238 H GLY 32 H GLY 32 12.485 -11.976 -1.765 239 1HA GLY 32 1HA GLY 32 12.538 -12.687 0.478 240 2HA GLY 32 2HA GLY 32 13.957 -11.695 0.737 241 H GLY 33 H GLY 33 11.741 -9.745 -0.855 242 1HA GLY 33 1HA GLY 33 11.143 -8.329 1.590 243 2HA GLY 33 2HA GLY 33 10.736 -7.822 -0.040 244 H ARG 34 H ARG 34 8.666 -7.199 0.725 245 HA ARG 34 HA ARG 34 6.879 -8.929 2.031 246 1HB ARG 34 1HB ARG 34 6.342 -6.534 0.267 247 2HB ARG 34 2HB ARG 34 5.132 -7.324 1.270 248 1HG ARG 34 1HG ARG 34 6.146 -6.624 3.253 249 2HG ARG 34 2HG ARG 34 7.668 -6.244 2.447 250 1HD ARG 34 1HD ARG 34 6.745 -4.321 1.414 251 2HD ARG 34 2HD ARG 34 5.102 -4.787 1.853 252 HE ARG 34 HE ARG 34 6.799 -4.394 4.130 253 1HH1 ARG 34 1HH1 ARG 34 4.753 -2.725 1.810 254 2HH1 ARG 34 2HH1 ARG 34 4.449 -1.388 2.868 255 1HH2 ARG 34 1HH2 ARG 34 6.383 -2.630 5.496 256 2HH2 ARG 34 2HH2 ARG 34 5.371 -1.334 4.951 257 H GLY 35 H GLY 35 7.721 -8.586 -1.347 258 1HA GLY 35 1HA GLY 35 7.318 -10.282 -2.953 259 2HA GLY 35 2HA GLY 35 6.020 -10.896 -1.942 260 H ASN 36 H ASN 36 5.590 -10.670 -4.603 261 HA ASN 36 HA ASN 36 3.609 -8.508 -4.709 262 1HB ASN 36 1HB ASN 36 4.200 -8.038 -7.057 263 2HB ASN 36 2HB ASN 36 5.553 -7.719 -5.976 264 1HD2 ASN 36 2HD2 ASN 36 7.081 -9.594 -5.713 265 2HD2 ASN 36 1HD2 ASN 36 7.481 -10.479 -7.142 266 HA PRO 37 HA PRO 37 1.244 -11.961 -6.278 267 1HB PRO 37 1HB PRO 37 -1.161 -10.840 -6.351 268 2HB PRO 37 2HB PRO 37 -0.322 -11.083 -4.814 269 1HG PRO 37 1HG PRO 37 -0.729 -8.585 -6.375 270 2HG PRO 37 2HG PRO 37 -0.636 -8.814 -4.622 271 1HD PRO 37 1HD PRO 37 1.447 -7.961 -6.349 272 2HD PRO 37 2HD PRO 37 1.591 -8.390 -4.634 273 H PHE 38 H PHE 38 2.605 -10.075 -8.268 274 HA PHE 38 HA PHE 38 0.645 -10.159 -10.449 275 1HB PHE 38 1HB PHE 38 3.276 -8.714 -10.141 276 2HB PHE 38 2HB PHE 38 2.389 -8.776 -11.661 277 HD1 PHE 38 HD1 PHE 38 2.308 -7.557 -8.190 278 HD2 PHE 38 HD2 PHE 38 0.463 -7.437 -12.024 279 HE1 PHE 38 HE1 PHE 38 0.961 -5.626 -7.477 280 HE2 PHE 38 HE2 PHE 38 -0.887 -5.503 -11.317 281 HZ PHE 38 HZ PHE 38 -0.639 -4.596 -9.042 282 H ARG 39 H ARG 39 4.080 -10.955 -9.877 283 HA ARG 39 HA ARG 39 3.859 -13.020 -11.974 284 1HB ARG 39 1HB ARG 39 6.242 -11.406 -11.062 285 2HB ARG 39 2HB ARG 39 6.368 -12.809 -12.119 286 1HG ARG 39 1HG ARG 39 4.447 -11.298 -13.363 287 2HG ARG 39 2HG ARG 39 5.536 -10.074 -12.715 288 1HD ARG 39 1HD ARG 39 7.208 -10.634 -14.122 289 2HD ARG 39 2HD ARG 39 6.842 -12.356 -14.042 290 HE ARG 39 HE ARG 39 5.835 -10.446 -15.960 291 1HH1 ARG 39 1HH1 ARG 39 5.342 -13.609 -14.508 292 2HH1 ARG 39 2HH1 ARG 39 4.407 -14.200 -15.840 293 1HH2 ARG 39 1HH2 ARG 39 4.605 -11.246 -17.691 294 2HH2 ARG 39 2HH2 ARG 39 3.992 -12.864 -17.638 295 HA PRO 40 HA PRO 40 4.726 -15.826 -8.624 296 1HB PRO 40 1HB PRO 40 4.831 -18.139 -9.969 297 2HB PRO 40 2HB PRO 40 3.326 -17.235 -9.780 298 1HG PRO 40 1HG PRO 40 5.080 -17.515 -12.156 299 2HG PRO 40 2HG PRO 40 3.326 -17.291 -12.071 300 1HD PRO 40 1HD PRO 40 5.268 -15.301 -12.582 301 2HD PRO 40 2HD PRO 40 3.544 -15.046 -12.256 302 H ASP 41 H ASP 41 6.743 -16.496 -11.519 303 HA ASP 41 HA ASP 41 8.869 -17.490 -9.821 304 1HB ASP 41 1HB ASP 41 10.019 -17.949 -11.987 305 2HB ASP 41 2HB ASP 41 8.437 -18.711 -11.846 306 H ASP 42 H ASP 42 8.032 -14.412 -11.058 307 HA ASP 42 HA ASP 42 10.831 -13.526 -11.075 308 1HB ASP 42 1HB ASP 42 9.173 -12.968 -12.965 309 2HB ASP 42 2HB ASP 42 8.459 -11.835 -11.821 310 H ASP 43 H ASP 43 11.618 -12.765 -9.237 311 HA ASP 43 HA ASP 43 9.773 -11.529 -7.295 312 1HB ASP 43 1HB ASP 43 11.566 -11.965 -5.633 313 2HB ASP 43 2HB ASP 43 11.013 -13.438 -6.420 314 H GLY 44 H GLY 44 10.424 -9.961 -9.445 315 1HA GLY 44 1HA GLY 44 12.628 -8.214 -8.660 316 2HA GLY 44 2HA GLY 44 11.701 -8.116 -10.147 317 H ILE 45 H ILE 45 11.613 -5.819 -9.730 318 HA ILE 45 HA ILE 45 9.710 -5.060 -7.612 319 HB ILE 45 HB ILE 45 11.429 -3.135 -9.174 320 1HG1 ILE 45 1HG1 ILE 45 12.916 -4.747 -8.031 321 2HG1 ILE 45 2HG1 ILE 45 13.028 -3.142 -7.316 322 1HG2 ILE 45 1HG2 ILE 45 9.499 -2.204 -8.012 323 2HG2 ILE 45 2HG2 ILE 45 10.053 -2.922 -6.501 324 3HG2 ILE 45 3HG2 ILE 45 11.007 -1.658 -7.277 325 1HD1 ILE 45 1HD1 ILE 45 11.201 -5.204 -6.156 326 2HD1 ILE 45 2HD1 ILE 45 12.923 -5.194 -5.773 327 3HD1 ILE 45 3HD1 ILE 45 11.925 -3.791 -5.387 328 H PHE 46 H PHE 46 7.750 -4.258 -8.154 329 HA PHE 46 HA PHE 46 7.280 -3.485 -10.963 330 1HB PHE 46 1HB PHE 46 5.453 -5.194 -9.255 331 2HB PHE 46 2HB PHE 46 5.100 -4.627 -10.885 332 HD1 PHE 46 HD1 PHE 46 7.131 -6.921 -8.871 333 HD2 PHE 46 HD2 PHE 46 6.101 -5.654 -12.801 334 HE1 PHE 46 HE1 PHE 46 8.206 -8.931 -9.796 335 HE2 PHE 46 HE2 PHE 46 7.172 -7.662 -13.734 336 HZ PHE 46 HZ PHE 46 8.229 -9.303 -12.231 337 H VAL 47 H VAL 47 5.672 -1.922 -11.316 338 HA VAL 47 HA VAL 47 5.156 -0.210 -9.017 339 HB VAL 47 HB VAL 47 4.477 0.304 -11.918 340 1HG1 VAL 47 1HG1 VAL 47 3.290 1.674 -10.216 341 2HG1 VAL 47 2HG1 VAL 47 4.857 2.254 -9.652 342 3HG1 VAL 47 3HG1 VAL 47 4.322 2.613 -11.294 343 1HG2 VAL 47 1HG2 VAL 47 6.898 -0.113 -11.575 344 2HG2 VAL 47 2HG2 VAL 47 6.543 1.534 -12.095 345 3HG2 VAL 47 3HG2 VAL 47 6.927 1.206 -10.405 346 H THR 48 H THR 48 3.660 -1.844 -8.116 347 HA THR 48 HA THR 48 1.387 -2.910 -9.033 348 HB THR 48 HB THR 48 2.072 -3.234 -6.766 349 HG1 THR 48 HG1 THR 48 -0.042 -3.664 -6.868 350 1HG2 THR 48 1HG2 THR 48 0.962 -0.718 -5.734 351 2HG2 THR 48 2HG2 THR 48 2.323 -1.685 -5.166 352 3HG2 THR 48 3HG2 THR 48 2.525 -0.603 -6.544 353 H ARG 49 H ARG 49 1.371 0.482 -7.777 354 HA ARG 49 HA ARG 49 -0.703 1.152 -9.673 355 1HB ARG 49 1HB ARG 49 -2.364 1.845 -8.017 356 2HB ARG 49 2HB ARG 49 -2.029 0.124 -7.894 357 1HG ARG 49 1HG ARG 49 -0.424 0.708 -6.025 358 2HG ARG 49 2HG ARG 49 -1.126 2.323 -6.059 359 1HD ARG 49 1HD ARG 49 -3.287 0.499 -5.987 360 2HD ARG 49 2HD ARG 49 -2.112 -0.054 -4.794 361 HE ARG 49 HE ARG 49 -2.626 2.761 -4.634 362 1HH1 ARG 49 1HH1 ARG 49 -3.809 -0.390 -3.622 363 2HH1 ARG 49 2HH1 ARG 49 -4.631 0.239 -2.233 364 1HH2 ARG 49 1HH2 ARG 49 -3.712 3.558 -2.808 365 2HH2 ARG 49 2HH2 ARG 49 -4.576 2.470 -1.775 366 H VAL 50 H VAL 50 -1.349 3.431 -9.574 367 HA VAL 50 HA VAL 50 0.759 5.141 -8.409 368 HB VAL 50 HB VAL 50 -0.745 5.760 -10.955 369 1HG1 VAL 50 1HG1 VAL 50 0.202 7.667 -9.730 370 2HG1 VAL 50 2HG1 VAL 50 1.794 6.914 -9.807 371 3HG1 VAL 50 3HG1 VAL 50 0.986 7.425 -11.289 372 1HG2 VAL 50 1HG2 VAL 50 0.584 3.733 -11.303 373 2HG2 VAL 50 2HG2 VAL 50 1.255 5.099 -12.194 374 3HG2 VAL 50 3HG2 VAL 50 2.017 4.564 -10.695 375 H GLN 51 H GLN 51 0.110 7.202 -7.628 376 HA GLN 51 HA GLN 51 -2.762 7.346 -7.002 377 1HB GLN 51 1HB GLN 51 -0.294 8.165 -5.561 378 2HB GLN 51 2HB GLN 51 -1.745 9.125 -5.298 379 1HG GLN 51 1HG GLN 51 -1.899 6.159 -5.084 380 2HG GLN 51 2HG GLN 51 -1.187 7.087 -3.764 381 1HE2 GLN 51 2HE2 GLN 51 -3.808 5.542 -4.314 382 2HE2 GLN 51 1HE2 GLN 51 -5.020 6.600 -3.684 383 HA PRO 52 HA PRO 52 -2.097 11.846 -8.357 384 1HB PRO 52 1HB PRO 52 0.326 12.877 -8.867 385 2HB PRO 52 2HB PRO 52 -0.298 12.739 -7.218 386 1HG PRO 52 1HG PRO 52 1.628 10.962 -8.668 387 2HG PRO 52 2HG PRO 52 1.708 11.577 -7.007 388 1HD PRO 52 1HD PRO 52 0.831 9.072 -7.636 389 2HD PRO 52 2HD PRO 52 0.278 9.970 -6.209 390 H GLU 53 H GLU 53 -2.868 12.063 -10.351 391 HA GLU 53 HA GLU 53 -1.768 10.584 -12.550 392 1HB GLU 53 1HB GLU 53 -3.637 11.563 -13.835 393 2HB GLU 53 2HB GLU 53 -4.177 10.814 -12.338 394 1HG GLU 53 1HG GLU 53 -5.261 12.699 -11.904 395 2HG GLU 53 2HG GLU 53 -3.690 13.446 -11.627 396 H GLY 54 H GLY 54 0.361 11.879 -12.107 397 1HA GLY 54 1HA GLY 54 0.572 13.808 -14.261 398 2HA GLY 54 2HA GLY 54 0.865 14.472 -12.665 399 HA PRO 55 HA PRO 55 5.097 13.250 -12.634 400 1HB PRO 55 1HB PRO 55 5.405 11.459 -10.540 401 2HB PRO 55 2HB PRO 55 5.388 13.216 -10.382 402 1HG PRO 55 1HG PRO 55 3.180 11.252 -9.941 403 2HG PRO 55 2HG PRO 55 3.605 12.693 -8.999 404 1HD PRO 55 1HD PRO 55 1.553 12.720 -10.711 405 2HD PRO 55 2HD PRO 55 2.610 14.136 -10.523 406 H ALA 56 H ALA 56 4.000 10.085 -11.409 407 HA ALA 56 HA ALA 56 5.053 8.873 -13.885 408 1HB ALA 56 1HB ALA 56 6.158 8.575 -11.460 409 2HB ALA 56 2HB ALA 56 4.992 7.253 -11.413 410 3HB ALA 56 3HB ALA 56 6.197 7.320 -12.698 411 H SER 57 H SER 57 2.505 9.565 -14.056 412 HA SER 57 HA SER 57 0.983 7.076 -13.587 413 1HB SER 57 1HB SER 57 0.140 9.084 -12.344 414 2HB SER 57 2HB SER 57 -0.162 9.858 -13.900 415 HG SER 57 HG SER 57 -1.766 8.464 -14.303 416 H LYS 58 H LYS 58 0.963 9.941 -15.712 417 HA LYS 58 HA LYS 58 -0.256 8.562 -17.873 418 1HB LYS 58 1HB LYS 58 0.318 10.587 -19.185 419 2HB LYS 58 2HB LYS 58 -0.502 10.953 -17.673 420 1HG LYS 58 1HG LYS 58 1.505 11.697 -16.660 421 2HG LYS 58 2HG LYS 58 2.485 11.059 -17.981 422 1HD LYS 58 1HD LYS 58 1.763 12.725 -19.468 423 2HD LYS 58 2HD LYS 58 0.399 13.170 -18.442 424 1HE LYS 58 1HE LYS 58 2.052 13.951 -16.734 425 2HE LYS 58 2HE LYS 58 3.324 13.678 -17.923 426 1HZ LYS 58 1HZ LYS 58 1.018 15.516 -18.283 427 2HZ LYS 58 2HZ LYS 58 2.588 15.992 -17.869 428 3HZ LYS 58 3HZ LYS 58 2.289 15.284 -19.377 429 H LEU 59 H LEU 59 2.966 8.417 -16.714 430 HA LEU 59 HA LEU 59 4.018 7.789 -19.379 431 1HB LEU 59 1HB LEU 59 5.383 8.324 -16.741 432 2HB LEU 59 2HB LEU 59 6.236 7.775 -18.172 433 HG LEU 59 HG LEU 59 4.607 10.309 -18.130 434 1HD1 LEU 59 1HD1 LEU 59 6.525 10.221 -16.441 435 2HD1 LEU 59 2HD1 LEU 59 7.590 10.189 -17.846 436 3HD1 LEU 59 3HD1 LEU 59 6.508 11.559 -17.591 437 1HD2 LEU 59 1HD2 LEU 59 5.087 9.322 -20.328 438 2HD2 LEU 59 2HD2 LEU 59 5.921 10.859 -20.098 439 3HD2 LEU 59 3HD2 LEU 59 6.810 9.343 -19.951 440 H LEU 60 H LEU 60 4.019 6.489 -16.060 441 HA LEU 60 HA LEU 60 4.788 3.866 -17.065 442 1HB LEU 60 1HB LEU 60 4.325 4.870 -14.256 443 2HB LEU 60 2HB LEU 60 4.862 3.249 -14.659 444 HG LEU 60 HG LEU 60 6.409 5.706 -15.461 445 1HD1 LEU 60 1HD1 LEU 60 6.003 5.330 -12.916 446 2HD1 LEU 60 2HD1 LEU 60 7.159 4.013 -13.119 447 3HD1 LEU 60 3HD1 LEU 60 7.630 5.668 -13.507 448 1HD2 LEU 60 1HD2 LEU 60 7.128 2.786 -15.221 449 2HD2 LEU 60 2HD2 LEU 60 6.936 3.705 -16.715 450 3HD2 LEU 60 3HD2 LEU 60 8.259 4.082 -15.611 451 H GLN 61 H GLN 61 3.614 1.937 -16.436 452 HA GLN 61 HA GLN 61 0.743 2.373 -15.955 453 1HB GLN 61 1HB GLN 61 0.258 0.539 -17.564 454 2HB GLN 61 2HB GLN 61 0.966 1.957 -18.325 455 1HG GLN 61 1HG GLN 61 3.054 0.900 -18.584 456 2HG GLN 61 2HG GLN 61 2.605 -0.417 -17.501 457 1HE2 GLN 61 2HE2 GLN 61 3.054 -1.990 -19.028 458 2HE2 GLN 61 1HE2 GLN 61 2.048 -2.258 -20.407 459 HA PRO 62 HA PRO 62 1.137 -0.540 -12.621 460 1HB PRO 62 1HB PRO 62 -1.376 -1.737 -13.697 461 2HB PRO 62 2HB PRO 62 -0.977 -1.249 -12.046 462 1HG PRO 62 1HG PRO 62 -2.563 0.259 -13.549 463 2HG PRO 62 2HG PRO 62 -1.360 0.999 -12.476 464 1HD PRO 62 1HD PRO 62 -1.318 0.681 -15.439 465 2HD PRO 62 2HD PRO 62 -0.672 1.991 -14.433 466 H GLY 63 H GLY 63 2.396 -2.276 -12.515 467 1HA GLY 63 1HA GLY 63 2.766 -4.614 -12.867 468 2HA GLY 63 2HA GLY 63 1.974 -4.473 -14.426 469 H ASP 64 H ASP 64 4.066 -1.850 -14.171 470 HA ASP 64 HA ASP 64 5.873 -3.015 -16.052 471 1HB ASP 64 1HB ASP 64 5.727 -0.322 -14.704 472 2HB ASP 64 2HB ASP 64 7.044 -0.757 -15.789 473 H LYS 65 H LYS 65 7.977 -3.591 -15.802 474 HA LYS 65 HA LYS 65 8.874 -4.029 -13.045 475 1HB LYS 65 1HB LYS 65 8.778 -5.945 -14.626 476 2HB LYS 65 2HB LYS 65 9.975 -5.141 -15.630 477 1HG LYS 65 1HG LYS 65 11.566 -5.228 -13.745 478 2HG LYS 65 2HG LYS 65 10.365 -6.123 -12.812 479 1HD LYS 65 1HD LYS 65 10.461 -7.973 -14.282 480 2HD LYS 65 2HD LYS 65 11.342 -7.052 -15.501 481 1HE LYS 65 1HE LYS 65 12.783 -8.637 -14.281 482 2HE LYS 65 2HE LYS 65 13.293 -6.961 -14.079 483 1HZ LYS 65 1HZ LYS 65 11.656 -8.476 -12.121 484 2HZ LYS 65 2HZ LYS 65 13.327 -8.240 -12.000 485 3HZ LYS 65 3HZ LYS 65 12.277 -6.915 -11.921 486 H ILE 66 H ILE 66 10.517 -2.907 -12.174 487 HA ILE 66 HA ILE 66 11.845 -0.887 -13.804 488 HB ILE 66 HB ILE 66 12.188 -1.379 -10.837 489 1HG1 ILE 66 1HG1 ILE 66 10.322 0.628 -12.111 490 2HG1 ILE 66 2HG1 ILE 66 9.787 -0.962 -11.579 491 1HG2 ILE 66 1HG2 ILE 66 12.741 1.011 -12.594 492 2HG2 ILE 66 2HG2 ILE 66 12.842 1.015 -10.832 493 3HG2 ILE 66 3HG2 ILE 66 13.927 -0.005 -11.776 494 1HD1 ILE 66 1HD1 ILE 66 10.709 -0.339 -9.299 495 2HD1 ILE 66 2HD1 ILE 66 10.818 1.309 -9.917 496 3HD1 ILE 66 3HD1 ILE 66 9.252 0.501 -9.833 497 H ILE 67 H ILE 67 13.671 -1.420 -14.841 498 HA ILE 67 HA ILE 67 15.277 -3.655 -13.919 499 HB ILE 67 HB ILE 67 15.803 -1.962 -16.349 500 1HG1 ILE 67 1HG1 ILE 67 13.515 -2.790 -16.523 501 2HG1 ILE 67 2HG1 ILE 67 14.554 -3.670 -17.641 502 1HG2 ILE 67 1HG2 ILE 67 17.605 -3.454 -15.560 503 2HG2 ILE 67 2HG2 ILE 67 16.512 -4.824 -15.754 504 3HG2 ILE 67 3HG2 ILE 67 17.000 -3.879 -17.161 505 1HD1 ILE 67 1HD1 ILE 67 13.842 -4.718 -14.922 506 2HD1 ILE 67 2HD1 ILE 67 12.871 -5.034 -16.360 507 3HD1 ILE 67 3HD1 ILE 67 14.542 -5.592 -16.285 508 H GLN 68 H GLN 68 15.766 -0.151 -14.525 509 HA GLN 68 HA GLN 68 18.009 -0.223 -12.655 510 1HB GLN 68 1HB GLN 68 18.253 0.200 -15.578 511 2HB GLN 68 2HB GLN 68 19.175 1.303 -14.565 512 1HG GLN 68 1HG GLN 68 20.457 -0.409 -13.651 513 2HG GLN 68 2HG GLN 68 19.313 -1.657 -14.143 514 1HE2 GLN 68 2HE2 GLN 68 20.704 1.002 -16.009 515 2HE2 GLN 68 1HE2 GLN 68 21.478 0.007 -17.188 516 H ALA 69 H ALA 69 18.582 1.743 -11.757 517 HA ALA 69 HA ALA 69 16.935 4.079 -12.434 518 1HB ALA 69 1HB ALA 69 15.966 2.764 -10.497 519 2HB ALA 69 2HB ALA 69 17.389 3.253 -9.580 520 3HB ALA 69 3HB ALA 69 16.281 4.475 -10.204 521 H ASN 70 H ASN 70 18.184 5.789 -12.766 522 HA ASN 70 HA ASN 70 20.042 7.124 -12.893 523 1HB ASN 70 1HB ASN 70 19.617 6.612 -9.973 524 2HB ASN 70 2HB ASN 70 20.953 7.631 -10.503 525 1HD2 ASN 70 2HD2 ASN 70 17.942 7.759 -9.373 526 2HD2 ASN 70 1HD2 ASN 70 17.387 9.222 -10.103 527 H GLY 71 H GLY 71 20.666 4.237 -13.209 528 1HA GLY 71 1HA GLY 71 22.826 3.446 -13.869 529 2HA GLY 71 2HA GLY 71 23.541 4.453 -12.625 530 H TYR 72 H TYR 72 21.183 3.252 -10.853 531 HA TYR 72 HA TYR 72 22.831 1.069 -9.871 532 1HB TYR 72 1HB TYR 72 20.488 2.607 -8.804 533 2HB TYR 72 2HB TYR 72 20.883 1.038 -8.109 534 HD1 TYR 72 HD1 TYR 72 23.353 0.725 -7.327 535 HD2 TYR 72 HD2 TYR 72 21.532 4.514 -7.992 536 HE1 TYR 72 HE1 TYR 72 25.044 1.785 -5.891 537 HE2 TYR 72 HE2 TYR 72 23.221 5.583 -6.559 538 HH TYR 72 HH TYR 72 24.997 4.135 -4.416 539 H SER 73 H SER 73 22.436 -1.018 -10.237 540 HA SER 73 HA SER 73 20.278 -1.790 -11.959 541 1HB SER 73 1HB SER 73 21.235 -4.061 -11.753 542 2HB SER 73 2HB SER 73 22.468 -2.865 -12.154 543 HG SER 73 HG SER 73 23.299 -3.027 -10.163 544 H PHE 74 H PHE 74 18.319 -2.511 -11.400 545 HA PHE 74 HA PHE 74 17.806 -3.043 -8.561 546 1HB PHE 74 1HB PHE 74 16.124 -2.085 -10.840 547 2HB PHE 74 2HB PHE 74 15.343 -2.910 -9.494 548 HD1 PHE 74 HD1 PHE 74 18.085 -0.393 -9.788 549 HD2 PHE 74 HD2 PHE 74 14.342 -1.437 -8.052 550 HE1 PHE 74 HE1 PHE 74 18.100 1.705 -8.503 551 HE2 PHE 74 HE2 PHE 74 14.350 0.660 -6.764 552 HZ PHE 74 HZ PHE 74 16.232 2.233 -6.988 553 H ILE 75 H ILE 75 18.803 -5.000 -10.863 554 HA ILE 75 HA ILE 75 16.680 -6.984 -10.752 555 HB ILE 75 HB ILE 75 19.372 -7.226 -12.089 556 1HG1 ILE 75 1HG1 ILE 75 18.143 -5.297 -12.987 557 2HG1 ILE 75 2HG1 ILE 75 18.233 -6.599 -14.171 558 1HG2 ILE 75 1HG2 ILE 75 16.804 -8.770 -12.370 559 2HG2 ILE 75 2HG2 ILE 75 18.179 -8.926 -13.464 560 3HG2 ILE 75 3HG2 ILE 75 18.350 -9.364 -11.763 561 1HD1 ILE 75 1HD1 ILE 75 15.882 -7.141 -12.894 562 2HD1 ILE 75 2HD1 ILE 75 15.916 -5.378 -12.894 563 3HD1 ILE 75 3HD1 ILE 75 16.044 -6.262 -14.415 564 H ASN 76 H ASN 76 16.627 -8.572 -9.305 565 HA ASN 76 HA ASN 76 17.203 -10.000 -7.636 566 1HB ASN 76 1HB ASN 76 19.904 -9.768 -8.981 567 2HB ASN 76 2HB ASN 76 19.570 -10.888 -7.664 568 1HD2 ASN 76 2HD2 ASN 76 19.793 -12.768 -8.751 569 2HD2 ASN 76 1HD2 ASN 76 18.778 -13.258 -10.060 570 H ILE 77 H ILE 77 16.700 -8.061 -6.305 571 HA ILE 77 HA ILE 77 18.902 -7.575 -4.469 572 HB ILE 77 HB ILE 77 18.482 -5.137 -4.383 573 1HG1 ILE 77 1HG1 ILE 77 17.082 -5.337 -7.030 574 2HG1 ILE 77 2HG1 ILE 77 16.158 -5.469 -5.536 575 1HG2 ILE 77 1HG2 ILE 77 20.342 -6.062 -5.690 576 2HG2 ILE 77 2HG2 ILE 77 19.303 -6.114 -7.114 577 3HG2 ILE 77 3HG2 ILE 77 19.723 -4.564 -6.385 578 1HD1 ILE 77 1HD1 ILE 77 17.966 -3.155 -6.172 579 2HD1 ILE 77 2HD1 ILE 77 16.241 -3.186 -6.535 580 3HD1 ILE 77 3HD1 ILE 77 16.792 -3.281 -4.862 581 H GLU 78 H GLU 78 18.116 -6.423 -2.476 582 HA GLU 78 HA GLU 78 15.634 -7.627 -1.634 583 1HB GLU 78 1HB GLU 78 17.601 -5.871 -0.156 584 2HB GLU 78 2HB GLU 78 16.215 -6.662 0.583 585 1HG GLU 78 1HG GLU 78 17.165 -8.847 -0.109 586 2HG GLU 78 2HG GLU 78 18.597 -7.996 -0.682 587 H HIS 79 H HIS 79 13.786 -6.576 -0.960 588 HA HIS 79 HA HIS 79 12.885 -4.393 -2.393 589 1HB HIS 79 1HB HIS 79 11.639 -6.142 -0.866 590 2HB HIS 79 2HB HIS 79 11.749 -4.853 0.327 591 HD1 HIS 79 HD1 HIS 79 9.326 -4.164 0.374 592 HD2 HIS 79 HD2 HIS 79 10.919 -4.210 -3.463 593 HE1 HIS 79 HE1 HIS 79 7.586 -3.090 -1.090 594 HE2 HIS 79 HE2 HIS 79 8.621 -3.028 -3.386 595 H GLY 80 H GLY 80 13.980 -4.359 1.015 596 1HA GLY 80 1HA GLY 80 13.635 -1.645 1.514 597 2HA GLY 80 2HA GLY 80 14.813 -2.667 2.317 598 H GLN 81 H GLN 81 16.154 -3.248 -0.286 599 HA GLN 81 HA GLN 81 18.017 -1.083 -0.221 600 1HB GLN 81 1HB GLN 81 18.330 -3.639 -0.824 601 2HB GLN 81 2HB GLN 81 17.978 -3.073 -2.451 602 1HG GLN 81 1HG GLN 81 20.165 -2.002 -0.685 603 2HG GLN 81 2HG GLN 81 20.384 -3.189 -1.969 604 1HE2 GLN 81 2HE2 GLN 81 21.447 -0.443 -1.581 605 2HE2 GLN 81 1HE2 GLN 81 21.037 0.407 -3.028 606 H ALA 82 H ALA 82 15.489 -2.157 -2.437 607 HA ALA 82 HA ALA 82 16.028 -0.297 -4.498 608 1HB ALA 82 1HB ALA 82 13.532 -1.820 -3.783 609 2HB ALA 82 2HB ALA 82 13.692 -0.824 -5.229 610 3HB ALA 82 3HB ALA 82 14.734 -2.229 -5.007 611 H VAL 83 H VAL 83 14.026 -0.153 -1.596 612 HA VAL 83 HA VAL 83 12.744 2.304 -2.285 613 HB VAL 83 HB VAL 83 13.062 1.102 0.469 614 1HG1 VAL 83 1HG1 VAL 83 12.280 3.500 0.247 615 2HG1 VAL 83 2HG1 VAL 83 10.844 2.861 -0.551 616 3HG1 VAL 83 3HG1 VAL 83 11.200 2.409 1.116 617 1HG2 VAL 83 1HG2 VAL 83 12.061 -0.416 -1.326 618 2HG2 VAL 83 2HG2 VAL 83 11.112 -0.161 0.138 619 3HG2 VAL 83 3HG2 VAL 83 10.700 0.704 -1.343 620 H SER 84 H SER 84 15.490 1.411 -0.219 621 HA SER 84 HA SER 84 16.065 3.912 0.867 622 1HB SER 84 1HB SER 84 17.120 1.764 1.564 623 2HB SER 84 2HB SER 84 18.083 1.789 0.086 624 HG SER 84 HG SER 84 18.255 3.408 2.363 625 H LEU 85 H LEU 85 16.994 2.531 -2.248 626 HA LEU 85 HA LEU 85 18.731 4.664 -2.980 627 1HB LEU 85 1HB LEU 85 17.330 2.548 -4.621 628 2HB LEU 85 2HB LEU 85 18.495 3.681 -5.286 629 HG LEU 85 HG LEU 85 19.069 1.640 -3.133 630 1HD1 LEU 85 1HD1 LEU 85 19.650 1.719 -6.081 631 2HD1 LEU 85 2HD1 LEU 85 20.556 0.703 -4.960 632 3HD1 LEU 85 3HD1 LEU 85 18.820 0.465 -5.159 633 1HD2 LEU 85 1HD2 LEU 85 20.818 3.671 -4.510 634 2HD2 LEU 85 2HD2 LEU 85 20.449 3.559 -2.789 635 3HD2 LEU 85 3HD2 LEU 85 21.435 2.318 -3.561 636 H LEU 86 H LEU 86 15.332 3.912 -3.532 637 HA LEU 86 HA LEU 86 14.887 6.183 -5.233 638 1HB LEU 86 1HB LEU 86 13.052 4.227 -3.895 639 2HB LEU 86 2HB LEU 86 12.462 5.575 -4.851 640 HG LEU 86 HG LEU 86 14.344 3.492 -5.932 641 1HD1 LEU 86 1HD1 LEU 86 12.204 2.517 -5.162 642 2HD1 LEU 86 2HD1 LEU 86 11.359 3.620 -6.247 643 3HD1 LEU 86 3HD1 LEU 86 12.453 2.402 -6.903 644 1HD2 LEU 86 1HD2 LEU 86 14.270 5.690 -7.081 645 2HD2 LEU 86 2HD2 LEU 86 13.689 4.361 -8.085 646 3HD2 LEU 86 3HD2 LEU 86 12.539 5.465 -7.330 647 H LYS 87 H LYS 87 15.398 6.059 -1.929 648 HA LYS 87 HA LYS 87 13.491 8.212 -1.354 649 1HB LYS 87 1HB LYS 87 15.178 6.459 0.427 650 2HB LYS 87 2HB LYS 87 14.323 7.874 1.024 651 1HG LYS 87 1HG LYS 87 12.739 5.916 -0.523 652 2HG LYS 87 2HG LYS 87 13.290 5.419 1.078 653 1HD LYS 87 1HD LYS 87 12.367 7.787 1.766 654 2HD LYS 87 2HD LYS 87 11.402 7.591 0.303 655 1HE LYS 87 1HE LYS 87 10.029 6.693 1.939 656 2HE LYS 87 2HE LYS 87 10.827 5.266 1.278 657 1HZ LYS 87 1HZ LYS 87 11.620 6.701 3.756 658 2HZ LYS 87 2HZ LYS 87 10.799 5.223 3.690 659 3HZ LYS 87 3HZ LYS 87 12.388 5.333 3.122 660 H THR 88 H THR 88 16.917 7.402 -1.333 661 HA THR 88 HA THR 88 17.815 9.917 -0.359 662 HB THR 88 HB THR 88 19.108 7.863 -0.075 663 HG1 THR 88 HG1 THR 88 20.966 8.876 -0.271 664 1HG2 THR 88 1HG2 THR 88 20.060 7.909 -2.876 665 2HG2 THR 88 2HG2 THR 88 19.996 6.580 -1.718 666 3HG2 THR 88 3HG2 THR 88 18.525 7.113 -2.532 667 H PHE 89 H PHE 89 17.064 8.768 -3.587 668 HA PHE 89 HA PHE 89 18.698 10.263 -5.193 669 1HB PHE 89 1HB PHE 89 15.814 9.499 -5.539 670 2HB PHE 89 2HB PHE 89 16.668 10.397 -6.785 671 HD1 PHE 89 HD1 PHE 89 19.377 8.999 -6.555 672 HD2 PHE 89 HD2 PHE 89 15.385 7.513 -6.642 673 HE1 PHE 89 HE1 PHE 89 20.190 6.872 -7.472 674 HE2 PHE 89 HE2 PHE 89 16.201 5.382 -7.557 675 HZ PHE 89 HZ PHE 89 18.603 5.059 -7.972 676 H GLN 90 H GLN 90 17.978 12.126 -6.653 677 HA GLN 90 HA GLN 90 17.491 14.399 -4.929 678 1HB GLN 90 1HB GLN 90 19.281 14.018 -6.847 679 2HB GLN 90 2HB GLN 90 17.998 14.684 -7.848 680 1HG GLN 90 1HG GLN 90 17.907 16.635 -6.297 681 2HG GLN 90 2HG GLN 90 19.339 15.988 -5.495 682 1HE2 GLN 90 2HE2 GLN 90 18.105 17.656 -8.231 683 2HE2 GLN 90 1HE2 GLN 90 19.621 17.996 -8.985 684 H ASN 91 H ASN 91 16.395 15.929 -7.470 685 HA ASN 91 HA ASN 91 13.628 15.562 -6.772 686 1HB ASN 91 1HB ASN 91 15.027 17.343 -8.771 687 2HB ASN 91 2HB ASN 91 13.279 17.330 -8.551 688 1HD2 ASN 91 2HD2 ASN 91 15.954 18.964 -7.779 689 2HD2 ASN 91 1HD2 ASN 91 15.485 19.640 -6.259 690 H THR 92 H THR 92 15.198 15.603 -9.982 691 HA THR 92 HA THR 92 13.096 13.949 -11.068 692 HB THR 92 HB THR 92 15.552 14.469 -12.658 693 HG1 THR 92 HG1 THR 92 15.542 16.494 -12.102 694 1HG2 THR 92 1HG2 THR 92 13.676 15.359 -14.216 695 2HG2 THR 92 2HG2 THR 92 13.889 13.622 -13.992 696 3HG2 THR 92 3HG2 THR 92 12.610 14.474 -13.125 697 H VAL 93 H VAL 93 13.162 11.813 -11.488 698 HA VAL 93 HA VAL 93 15.686 10.382 -10.925 699 HB VAL 93 HB VAL 93 12.911 9.282 -10.453 700 1HG1 VAL 93 1HG1 VAL 93 14.737 7.651 -10.876 701 2HG1 VAL 93 2HG1 VAL 93 15.585 8.296 -9.471 702 3HG1 VAL 93 3HG1 VAL 93 14.020 7.509 -9.272 703 1HG2 VAL 93 1HG2 VAL 93 13.445 11.221 -8.968 704 2HG2 VAL 93 2HG2 VAL 93 13.186 9.700 -8.113 705 3HG2 VAL 93 3HG2 VAL 93 14.824 10.305 -8.360 706 H GLU 94 H GLU 94 16.472 9.242 -12.562 707 HA GLU 94 HA GLU 94 14.838 8.820 -14.937 708 1HB GLU 94 1HB GLU 94 17.772 8.249 -14.461 709 2HB GLU 94 2HB GLU 94 16.944 8.158 -16.010 710 1HG GLU 94 1HG GLU 94 16.546 10.523 -16.001 711 2HG GLU 94 2HG GLU 94 17.191 10.665 -14.366 712 H LEU 95 H LEU 95 13.680 7.014 -15.095 713 HA LEU 95 HA LEU 95 14.729 4.546 -13.855 714 1HB LEU 95 1HB LEU 95 11.912 5.558 -14.157 715 2HB LEU 95 2HB LEU 95 12.267 3.877 -13.801 716 HG LEU 95 HG LEU 95 13.488 5.940 -12.037 717 1HD1 LEU 95 1HD1 LEU 95 10.587 5.127 -11.881 718 2HD1 LEU 95 2HD1 LEU 95 11.469 6.047 -10.661 719 3HD1 LEU 95 3HD1 LEU 95 11.196 6.739 -12.261 720 1HD2 LEU 95 1HD2 LEU 95 13.935 3.521 -11.793 721 2HD2 LEU 95 2HD2 LEU 95 13.179 4.231 -10.367 722 3HD2 LEU 95 3HD2 LEU 95 12.219 3.263 -11.485 723 H ILE 96 H ILE 96 14.484 2.600 -14.921 724 HA ILE 96 HA ILE 96 13.728 2.759 -17.771 725 HB ILE 96 HB ILE 96 15.807 0.898 -16.594 726 1HG1 ILE 96 1HG1 ILE 96 16.282 3.338 -18.314 727 2HG1 ILE 96 2HG1 ILE 96 16.481 3.320 -16.564 728 1HG2 ILE 96 1HG2 ILE 96 14.697 0.030 -18.586 729 2HG2 ILE 96 2HG2 ILE 96 15.083 1.513 -19.458 730 3HG2 ILE 96 3HG2 ILE 96 16.378 0.440 -18.929 731 1HD1 ILE 96 1HD1 ILE 96 17.930 1.278 -18.155 732 2HD1 ILE 96 2HD1 ILE 96 18.509 2.944 -18.197 733 3HD1 ILE 96 3HD1 ILE 96 18.392 2.089 -16.658 734 H ILE 97 H ILE 97 12.209 1.322 -18.439 735 HA ILE 97 HA ILE 97 11.549 -0.922 -16.646 736 HB ILE 97 HB ILE 97 9.149 -0.558 -17.149 737 1HG1 ILE 97 1HG1 ILE 97 9.994 2.152 -18.178 738 2HG1 ILE 97 2HG1 ILE 97 9.630 0.799 -19.245 739 1HG2 ILE 97 1HG2 ILE 97 10.177 0.252 -15.069 740 2HG2 ILE 97 2HG2 ILE 97 10.516 1.797 -15.850 741 3HG2 ILE 97 3HG2 ILE 97 8.848 1.286 -15.596 742 1HD1 ILE 97 1HD1 ILE 97 7.627 1.613 -17.200 743 2HD1 ILE 97 2HD1 ILE 97 7.808 2.571 -18.669 744 3HD1 ILE 97 3HD1 ILE 97 7.389 0.861 -18.777 745 H VAL 98 H VAL 98 10.063 -2.528 -17.745 746 HA VAL 98 HA VAL 98 10.675 -2.783 -20.612 747 HB VAL 98 HB VAL 98 10.927 -4.988 -18.547 748 1HG1 VAL 98 1HG1 VAL 98 10.153 -5.564 -20.982 749 2HG1 VAL 98 2HG1 VAL 98 11.847 -5.278 -21.376 750 3HG1 VAL 98 3HG1 VAL 98 11.415 -6.519 -20.204 751 1HG2 VAL 98 1HG2 VAL 98 12.732 -3.264 -18.561 752 2HG2 VAL 98 2HG2 VAL 98 13.277 -4.905 -18.910 753 3HG2 VAL 98 3HG2 VAL 98 13.092 -3.739 -20.220 754 H ARG 99 H ARG 99 9.108 -3.743 -21.864 755 HA ARG 99 HA ARG 99 6.561 -4.391 -20.513 756 1HB ARG 99 1HB ARG 99 7.145 -2.571 -22.651 757 2HB ARG 99 2HB ARG 99 6.120 -3.849 -23.288 758 1HG ARG 99 1HG ARG 99 4.407 -2.676 -22.494 759 2HG ARG 99 2HG ARG 99 4.908 -3.234 -20.899 760 1HD ARG 99 1HD ARG 99 5.647 -1.199 -20.288 761 2HD ARG 99 2HD ARG 99 6.365 -0.879 -21.866 762 HE ARG 99 HE ARG 99 3.769 -0.072 -20.949 763 1HH1 ARG 99 1HH1 ARG 99 5.653 -0.816 -23.821 764 2HH1 ARG 99 2HH1 ARG 99 4.655 0.143 -24.862 765 1HH2 ARG 99 1HH2 ARG 99 2.478 1.177 -22.336 766 2HH2 ARG 99 2HH2 ARG 99 2.861 1.269 -24.023 767 H GLU 100 H GLU 100 6.612 -6.576 -20.332 768 HA GLU 100 HA GLU 100 7.766 -8.230 -22.390 769 1HB GLU 100 1HB GLU 100 6.236 -8.995 -19.895 770 2HB GLU 100 2HB GLU 100 7.143 -10.098 -20.920 771 1HG GLU 100 1HG GLU 100 8.368 -7.763 -19.477 772 2HG GLU 100 2HG GLU 100 8.316 -9.405 -18.837 773 H VAL 101 H VAL 101 6.763 -9.346 -23.945 774 HA VAL 101 HA VAL 101 3.879 -8.947 -24.251 775 HB VAL 101 HB VAL 101 4.275 -9.924 -26.553 776 1HG1 VAL 101 1HG1 VAL 101 4.197 -7.454 -25.918 777 2HG1 VAL 101 2HG1 VAL 101 5.954 -7.483 -26.066 778 3HG1 VAL 101 3HG1 VAL 101 4.945 -7.869 -27.461 779 1HG2 VAL 101 1HG2 VAL 101 6.425 -11.048 -25.896 780 2HG2 VAL 101 2HG2 VAL 101 6.490 -10.124 -27.397 781 3HG2 VAL 101 3HG2 VAL 101 7.181 -9.456 -25.918 782 H SER 102 H SER 102 2.888 -10.974 -25.546 783 HA SER 102 HA SER 102 2.644 -13.040 -23.663 784 1HB SER 102 1HB SER 102 0.947 -12.439 -25.412 785 2HB SER 102 2HB SER 102 1.979 -13.220 -26.609 786 HG SER 102 HG SER 102 1.501 -15.146 -25.796 787 H SER 103 H SER 103 4.165 -14.451 -23.121 788 HA SER 103 HA SER 103 5.426 -16.078 -25.145 789 1HB SER 103 1HB SER 103 6.950 -14.146 -25.066 790 2HB SER 103 2HB SER 103 7.130 -14.357 -23.324 791 HG SER 103 HG SER 103 8.802 -15.479 -24.053 792 1H THR 301 1H THR 301 -3.856 -6.882 -0.298 793 2H THR 301 2H THR 301 -3.733 -6.484 1.367 794 3H THR 301 3H THR 301 -2.321 -6.851 0.464 795 HA THR 301 HA THR 301 -2.928 -4.923 -0.979 796 HB THR 301 HB THR 301 -4.506 -4.119 1.462 797 HG1 THR 301 HG1 THR 301 -5.504 -5.205 -0.960 798 1HG2 THR 301 1HG2 THR 301 -4.571 -3.064 -1.353 799 2HG2 THR 301 2HG2 THR 301 -5.473 -2.448 0.031 800 3HG2 THR 301 3HG2 THR 301 -3.716 -2.311 -0.007 801 H GLY 302 H GLY 302 -2.247 -5.592 2.389 802 1HA GLY 302 1HA GLY 302 -0.614 -3.230 2.737 803 2HA GLY 302 2HA GLY 302 -0.845 -4.522 3.903 804 H TRP 303 H TRP 303 0.577 -4.154 0.644 805 HA TRP 303 HA TRP 303 3.092 -5.214 1.669 806 1HB TRP 303 1HB TRP 303 3.188 -6.741 -0.428 807 2HB TRP 303 2HB TRP 303 2.276 -7.282 0.974 808 HD1 TRP 303 HD1 TRP 303 -0.172 -7.954 0.571 809 HE1 TRP 303 HE1 TRP 303 -1.804 -7.818 -1.414 810 HE3 TRP 303 HE3 TRP 303 2.634 -5.086 -2.605 811 HZ2 TRP 303 HZ2 TRP 303 -1.892 -6.654 -3.980 812 HZ3 TRP 303 HZ3 TRP 303 1.701 -4.507 -4.806 813 HH2 TRP 303 HH2 TRP 303 -0.517 -5.277 -5.479 814 H GLU 304 H GLU 304 1.890 -2.670 0.285 815 HA GLU 304 HA GLU 304 3.946 -2.479 -1.823 816 1HB GLU 304 1HB GLU 304 2.519 -0.668 -2.787 817 2HB GLU 304 2HB GLU 304 1.763 -2.257 -2.802 818 1HG GLU 304 1HG GLU 304 0.364 -1.699 -0.966 819 2HG GLU 304 2HG GLU 304 1.248 -0.203 -0.671 820 H THR 305 H THR 305 5.441 -0.907 -1.687 821 HA THR 305 HA THR 305 5.299 0.889 0.638 822 HB THR 305 HB THR 305 7.770 0.318 -0.988 823 HG1 THR 305 HG1 THR 305 6.798 -1.141 1.241 824 1HG2 THR 305 1HG2 THR 305 8.850 0.684 1.255 825 2HG2 THR 305 2HG2 THR 305 8.134 2.107 0.498 826 3HG2 THR 305 3HG2 THR 305 7.289 1.286 1.811 827 H TRP 306 H TRP 306 4.929 2.978 0.302 828 HA TRP 306 HA TRP 306 4.981 4.021 -2.411 829 1HB TRP 306 1HB TRP 306 3.925 5.071 0.208 830 2HB TRP 306 2HB TRP 306 4.020 6.090 -1.226 831 HD1 TRP 306 HD1 TRP 306 1.991 3.295 0.323 832 HE1 TRP 306 HE1 TRP 306 -0.060 2.815 -1.158 833 HE3 TRP 306 HE3 TRP 306 3.238 6.137 -3.741 834 HZ2 TRP 306 HZ2 TRP 306 -1.019 3.544 -3.711 835 HZ3 TRP 306 HZ3 TRP 306 1.699 6.191 -5.660 836 HH2 TRP 306 HH2 TRP 306 -0.386 4.920 -5.644 837 H VAL 307 H VAL 307 6.830 4.809 -3.165 838 HA VAL 307 HA VAL 307 8.827 5.895 -1.355 839 HB VAL 307 HB VAL 307 10.225 6.099 -3.415 840 1HG1 VAL 307 1HG1 VAL 307 9.029 3.404 -2.793 841 2HG1 VAL 307 2HG1 VAL 307 10.493 3.648 -3.745 842 3HG1 VAL 307 3HG1 VAL 307 10.451 4.140 -2.053 843 1HG2 VAL 307 1HG2 VAL 307 8.231 6.320 -4.947 844 2HG2 VAL 307 2HG2 VAL 307 9.506 5.233 -5.499 845 3HG2 VAL 307 3HG2 VAL 307 8.028 4.575 -4.796
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