NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25886 | 2kcv | 16821 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 1H GLU 1 -12.198 -0.579 20.023 2 H2 GLU 1 2H GLU 1 -13.072 0.281 18.862 3 H3 GLU 1 3H GLU 1 -11.757 1.005 19.632 4 HA GLU 1 HA GLU 1 -11.285 0.310 17.367 5 HB2 GLU 1 2HB GLU 1 -9.111 -0.786 17.841 6 HB3 GLU 1 3HB GLU 1 -9.413 0.574 18.907 7 HG2 GLU 1 2HG GLU 1 -9.700 -2.357 19.680 8 HG3 GLU 1 3HG GLU 1 -8.319 -1.334 20.054 9 H ASP 2 H ASP 2 -12.294 -0.924 15.958 10 HA ASP 2 HA ASP 2 -12.533 -3.857 16.363 11 HB2 ASP 2 2HB ASP 2 -14.171 -2.039 14.510 12 HB3 ASP 2 3HB ASP 2 -14.357 -3.787 14.649 13 HA PRO 3 HA PRO 3 -9.636 -4.146 12.892 14 HB2 PRO 3 2HB PRO 3 -10.171 -6.687 12.014 15 HB3 PRO 3 3HB PRO 3 -9.283 -6.356 13.508 16 HG2 PRO 3 2HG PRO 3 -12.207 -7.023 13.153 17 HG3 PRO 3 3HG PRO 3 -11.037 -7.692 14.313 18 HD2 PRO 3 2HD PRO 3 -12.798 -5.750 15.012 19 HD3 PRO 3 3HD PRO 3 -11.165 -5.829 15.712 20 H GLU 4 H GLU 4 -12.869 -3.606 12.513 21 HA GLU 4 HA GLU 4 -12.895 -3.782 9.598 22 HB2 GLU 4 2HB GLU 4 -15.003 -2.790 11.561 23 HB3 GLU 4 3HB GLU 4 -15.241 -2.972 9.820 24 HG2 GLU 4 2HG GLU 4 -14.879 -5.406 10.007 25 HG3 GLU 4 3HG GLU 4 -14.570 -5.242 11.734 26 H ASP 5 H ASP 5 -12.382 -1.455 12.155 27 HA ASP 5 HA ASP 5 -12.602 0.955 10.696 28 HB2 ASP 5 2HB ASP 5 -10.836 0.274 13.093 29 HB3 ASP 5 3HB ASP 5 -11.045 1.906 12.466 30 HA PRO 6 HA PRO 6 -9.436 0.618 7.651 31 HB2 PRO 6 2HB PRO 6 -8.579 3.279 7.440 32 HB3 PRO 6 3HB PRO 6 -10.030 2.615 6.680 33 HG2 PRO 6 2HG PRO 6 -9.769 4.094 9.302 34 HG3 PRO 6 3HG PRO 6 -10.973 4.316 8.010 35 HD2 PRO 6 2HD PRO 6 -11.612 2.949 10.203 36 HD3 PRO 6 3HD PRO 6 -12.148 2.354 8.613 37 H PHE 7 H PHE 7 -8.288 2.855 10.240 38 HA PHE 7 HA PHE 7 -5.544 2.300 9.885 39 HB2 PHE 7 2HB PHE 7 -6.407 4.351 11.000 40 HB3 PHE 7 3HB PHE 7 -6.924 3.384 12.374 41 HD1 PHE 7 HD1 PHE 7 -3.881 4.335 10.404 42 HD2 PHE 7 HD2 PHE 7 -5.393 3.001 14.182 43 HE1 PHE 7 HE1 PHE 7 -1.653 4.621 11.405 44 HE2 PHE 7 HE2 PHE 7 -3.159 3.299 15.172 45 HZ PHE 7 HZ PHE 7 -1.289 4.104 13.784 46 H THR 8 H THR 8 -8.000 0.740 11.914 47 HA THR 8 HA THR 8 -6.206 -0.608 13.673 48 HB THR 8 HB THR 8 -9.061 -1.471 13.013 49 HG1 THR 8 HG1 THR 8 -9.716 -0.019 14.544 50 HG21 THR 8 3HG2 THR 8 -7.775 -3.122 14.360 51 HG22 THR 8 1HG2 THR 8 -9.045 -2.371 15.328 52 HG23 THR 8 2HG2 THR 8 -7.366 -1.858 15.522 53 H ARG 9 H ARG 9 -7.949 -1.645 10.735 54 HA ARG 9 HA ARG 9 -6.907 -4.336 10.714 55 HB2 ARG 9 2HB ARG 9 -8.128 -4.606 8.636 56 HB3 ARG 9 3HB ARG 9 -9.130 -3.765 9.809 57 HG2 ARG 9 2HG ARG 9 -8.367 -1.590 8.628 58 HG3 ARG 9 3HG ARG 9 -7.808 -2.651 7.334 59 HD2 ARG 9 2HD ARG 9 -10.647 -2.328 8.352 60 HD3 ARG 9 3HD ARG 9 -10.016 -1.850 6.773 61 HE ARG 9 HE ARG 9 -9.881 -4.684 7.469 62 HH11 ARG 9 1HH1 ARG 9 -11.504 -2.203 5.592 63 HH12 ARG 9 2HH1 ARG 9 -12.415 -3.354 4.665 64 HH21 ARG 9 1HH2 ARG 9 -11.060 -6.146 6.264 65 HH22 ARG 9 2HH2 ARG 9 -12.157 -5.575 5.045 66 H TYR 10 H TYR 10 -6.005 -1.289 9.279 67 HA TYR 10 HA TYR 10 -3.998 -2.132 7.474 68 HB2 TYR 10 2HB TYR 10 -4.614 0.110 7.215 69 HB3 TYR 10 3HB TYR 10 -4.684 0.410 8.940 70 HD1 TYR 10 HD2 TYR 10 -2.318 0.077 6.053 71 HD2 TYR 10 HD1 TYR 10 -2.823 1.377 10.101 72 HE1 TYR 10 HE2 TYR 10 -0.156 1.235 5.961 73 HE2 TYR 10 HE1 TYR 10 -0.661 2.526 9.998 74 HH TYR 10 HH TYR 10 1.421 2.415 8.727 75 H ALA 11 H ALA 11 -3.828 -1.096 10.863 76 HA ALA 11 HA ALA 11 -1.096 -1.610 11.341 77 HB1 ALA 11 3HB ALA 11 -2.467 -0.125 12.756 78 HB2 ALA 11 1HB ALA 11 -1.698 -1.385 13.724 79 HB3 ALA 11 2HB ALA 11 -3.409 -1.509 13.308 80 H LEU 12 H LEU 12 -4.007 -3.582 11.625 81 HA LEU 12 HA LEU 12 -2.854 -5.865 12.875 82 HB2 LEU 12 2HB LEU 12 -5.276 -5.373 12.948 83 HB3 LEU 12 3HB LEU 12 -5.384 -5.604 11.212 84 HG LEU 12 HG LEU 12 -4.773 -8.019 11.516 85 HD11 LEU 12 1HD1 LEU 12 -4.942 -7.420 14.487 86 HD12 LEU 12 2HD1 LEU 12 -3.497 -7.899 13.593 87 HD13 LEU 12 3HD1 LEU 12 -4.836 -9.030 13.767 88 HD21 LEU 12 3HD2 LEU 12 -7.132 -7.384 11.346 89 HD22 LEU 12 1HD2 LEU 12 -7.207 -7.118 13.092 90 HD23 LEU 12 2HD2 LEU 12 -6.930 -8.739 12.453 91 H ALA 13 H ALA 13 -3.339 -4.857 9.532 92 HA ALA 13 HA ALA 13 -2.564 -7.249 8.230 93 HB1 ALA 13 3HB ALA 13 -2.381 -4.395 7.221 94 HB2 ALA 13 1HB ALA 13 -3.774 -5.465 7.062 95 HB3 ALA 13 2HB ALA 13 -2.269 -5.853 6.228 96 H GLN 14 H GLN 14 -0.763 -4.402 9.353 97 HA GLN 14 HA GLN 14 1.818 -5.178 8.524 98 HB2 GLN 14 2HB GLN 14 1.023 -3.534 10.964 99 HB3 GLN 14 3HB GLN 14 2.648 -3.624 10.286 100 HG2 GLN 14 2HG GLN 14 1.789 -2.606 8.175 101 HG3 GLN 14 3HG GLN 14 0.198 -2.466 8.918 102 HE21 GLN 14 1HE2 GLN 14 3.492 -1.265 8.951 103 HE22 GLN 14 2HE2 GLN 14 3.166 0.177 9.850 104 H GLU 15 H GLU 15 -0.093 -6.026 11.412 105 HA GLU 15 HA GLU 15 1.930 -7.509 12.764 106 HB2 GLU 15 2HB GLU 15 -1.087 -7.850 12.984 107 HB3 GLU 15 3HB GLU 15 0.106 -8.463 14.125 108 HG2 GLU 15 2HG GLU 15 -0.582 -5.563 13.585 109 HG3 GLU 15 3HG GLU 15 -0.969 -6.493 15.026 110 H HIS 16 H HIS 16 -0.597 -8.480 10.429 111 HA HIS 16 HA HIS 16 -0.094 -11.247 10.368 112 HB2 HIS 16 2HB HIS 16 -1.270 -9.366 8.294 113 HB3 HIS 16 3HB HIS 16 -1.039 -11.075 7.932 114 HD1 HIS 16 HD1 HIS 16 -2.442 -12.782 9.395 115 HD2 HIS 16 HD2 HIS 16 -3.570 -8.807 9.774 116 HE1 HIS 16 HE1 HIS 16 -4.727 -12.827 10.415 117 HE2 HIS 16 HE2 HIS 16 -5.350 -10.412 10.725 118 H LEU 17 H LEU 17 1.424 -8.579 8.559 119 HA LEU 17 HA LEU 17 3.194 -10.030 6.926 120 HB2 LEU 17 2HB LEU 17 3.526 -7.313 8.251 121 HB3 LEU 17 3HB LEU 17 4.655 -7.942 7.061 122 HG LEU 17 HG LEU 17 1.709 -7.395 6.514 123 HD11 LEU 17 1HD1 LEU 17 2.451 -5.449 5.218 124 HD12 LEU 17 2HD1 LEU 17 4.122 -5.740 5.711 125 HD13 LEU 17 3HD1 LEU 17 2.911 -5.288 6.914 126 HD21 LEU 17 3HD2 LEU 17 2.339 -7.701 4.144 127 HD22 LEU 17 1HD2 LEU 17 2.597 -9.167 5.087 128 HD23 LEU 17 2HD2 LEU 17 3.972 -8.154 4.638 129 H LYS 18 H LYS 18 3.509 -8.897 10.254 130 HA LYS 18 HA LYS 18 6.195 -9.723 10.709 131 HB2 LYS 18 2HB LYS 18 3.943 -9.010 12.627 132 HB3 LYS 18 3HB LYS 18 5.623 -9.229 13.120 133 HG2 LYS 18 2HG LYS 18 6.342 -7.307 11.874 134 HG3 LYS 18 3HG LYS 18 4.807 -7.202 11.012 135 HD2 LYS 18 2HD LYS 18 3.682 -6.619 13.178 136 HD3 LYS 18 3HD LYS 18 5.267 -6.611 13.961 137 HE2 LYS 18 2HE LYS 18 5.997 -4.782 12.479 138 HE3 LYS 18 3HE LYS 18 4.443 -4.818 11.643 139 HZ1 LYS 18 3HZ LYS 18 4.852 -4.140 14.498 140 HZ2 LYS 18 1HZ LYS 18 3.372 -4.158 13.689 141 HZ3 LYS 18 2HZ LYS 18 4.549 -3.037 13.251 142 H HIS 19 H HIS 19 3.070 -11.321 11.099 143 HA HIS 19 HA HIS 19 4.215 -13.679 12.397 144 HB2 HIS 19 2HB HIS 19 1.400 -12.985 11.498 145 HB3 HIS 19 3HB HIS 19 1.815 -14.564 12.160 146 HD1 HIS 19 HD1 HIS 19 3.377 -14.020 14.593 147 HD2 HIS 19 HD2 HIS 19 0.214 -11.566 13.493 148 HE1 HIS 19 HE1 HIS 19 2.613 -12.916 16.706 149 HE2 HIS 19 HE2 HIS 19 0.811 -11.324 15.986 150 H ASP 20 H ASP 20 4.542 -12.669 9.374 151 HA ASP 20 HA ASP 20 5.183 -13.599 7.432 152 HB2 ASP 20 2HB ASP 20 6.438 -15.226 8.838 153 HB3 ASP 20 3HB ASP 20 5.021 -16.261 8.912 154 H ASN 21 H ASN 21 2.185 -13.762 8.589 155 HA ASN 21 HA ASN 21 0.864 -15.252 6.448 156 HB2 ASN 21 2HB ASN 21 -0.226 -13.560 8.740 157 HB3 ASN 21 3HB ASN 21 -1.247 -14.370 7.557 158 HD21 ASN 21 1HD2 ASN 21 -1.311 -16.680 7.562 159 HD22 ASN 21 2HD2 ASN 21 -0.851 -17.581 8.966 160 H ALA 22 H ALA 22 2.394 -13.629 5.205 161 HA ALA 22 HA ALA 22 1.672 -10.974 4.698 162 HB1 ALA 22 3HB ALA 22 3.073 -12.940 2.856 163 HB2 ALA 22 1HB ALA 22 3.851 -11.933 4.079 164 HB3 ALA 22 2HB ALA 22 3.072 -11.185 2.686 165 H SER 23 H SER 23 0.563 -14.005 3.273 166 HA SER 23 HA SER 23 -1.034 -13.103 1.193 167 HB2 SER 23 2HB SER 23 -1.579 -15.488 3.006 168 HB3 SER 23 3HB SER 23 -2.165 -15.268 1.352 169 HG SER 23 HG SER 23 -0.079 -16.539 1.907 170 H ARG 24 H ARG 24 -1.864 -13.430 4.661 171 HA ARG 24 HA ARG 24 -4.640 -12.769 4.347 172 HB2 ARG 24 2HB ARG 24 -2.925 -12.681 6.868 173 HB3 ARG 24 3HB ARG 24 -4.685 -12.704 6.808 174 HG2 ARG 24 2HG ARG 24 -2.812 -14.950 6.006 175 HG3 ARG 24 3HG ARG 24 -3.846 -14.892 7.434 176 HD2 ARG 24 2HD ARG 24 -5.843 -14.972 6.035 177 HD3 ARG 24 3HD ARG 24 -4.862 -14.909 4.565 178 HE ARG 24 HE ARG 24 -4.598 -17.146 6.479 179 HH11 ARG 24 1HH1 ARG 24 -5.287 -16.046 3.226 180 HH12 ARG 24 2HH1 ARG 24 -5.364 -17.650 2.567 181 HH21 ARG 24 1HH2 ARG 24 -4.696 -19.245 5.624 182 HH22 ARG 24 2HH2 ARG 24 -5.021 -19.477 3.934 183 H ALA 25 H ALA 25 -1.693 -11.028 5.178 184 HA ALA 25 HA ALA 25 -2.779 -8.481 5.804 185 HB1 ALA 25 3HB ALA 25 -0.495 -9.163 6.409 186 HB2 ALA 25 1HB ALA 25 -0.476 -7.673 5.462 187 HB3 ALA 25 2HB ALA 25 -0.043 -9.212 4.706 188 H LEU 26 H LEU 26 -1.866 -10.085 2.829 189 HA LEU 26 HA LEU 26 -1.768 -7.901 1.048 190 HB2 LEU 26 2HB LEU 26 -0.826 -10.191 0.621 191 HB3 LEU 26 3HB LEU 26 -2.462 -10.802 0.452 192 HG LEU 26 HG LEU 26 -2.751 -9.240 -1.533 193 HD11 LEU 26 1HD1 LEU 26 -0.988 -7.615 -1.034 194 HD12 LEU 26 2HD1 LEU 26 -0.731 -8.341 -2.619 195 HD13 LEU 26 3HD1 LEU 26 0.243 -8.862 -1.244 196 HD21 LEU 26 3HD2 LEU 26 -0.564 -11.332 -1.738 197 HD22 LEU 26 1HD2 LEU 26 -1.481 -10.666 -3.090 198 HD23 LEU 26 2HD2 LEU 26 -2.300 -11.624 -1.861 199 H ALA 27 H ALA 27 -4.298 -10.315 1.665 200 HA ALA 27 HA ALA 27 -6.382 -9.265 0.169 201 HB1 ALA 27 3HB ALA 27 -7.862 -10.603 1.600 202 HB2 ALA 27 1HB ALA 27 -6.569 -10.781 2.791 203 HB3 ALA 27 2HB ALA 27 -6.401 -11.501 1.187 204 H LEU 28 H LEU 28 -5.481 -8.484 3.549 205 HA LEU 28 HA LEU 28 -7.598 -6.761 4.176 206 HB2 LEU 28 2HB LEU 28 -4.753 -6.900 5.212 207 HB3 LEU 28 3HB LEU 28 -5.883 -5.701 5.823 208 HG LEU 28 HG LEU 28 -6.246 -8.724 6.026 209 HD11 LEU 28 1HD1 LEU 28 -5.939 -8.404 8.451 210 HD12 LEU 28 2HD1 LEU 28 -5.606 -6.690 8.184 211 HD13 LEU 28 3HD1 LEU 28 -4.504 -7.913 7.547 212 HD21 LEU 28 3HD2 LEU 28 -7.999 -6.487 7.111 213 HD22 LEU 28 1HD2 LEU 28 -8.205 -8.212 7.433 214 HD23 LEU 28 2HD2 LEU 28 -8.419 -7.593 5.799 215 H PHE 29 H PHE 29 -4.395 -5.946 2.800 216 HA PHE 29 HA PHE 29 -4.860 -3.140 2.686 217 HB2 PHE 29 2HB PHE 29 -2.797 -4.914 1.340 218 HB3 PHE 29 3HB PHE 29 -2.839 -3.175 1.115 219 HD1 PHE 29 HD2 PHE 29 -3.241 -2.032 3.740 220 HD2 PHE 29 HD1 PHE 29 -0.922 -5.468 2.658 221 HE1 PHE 29 HE2 PHE 29 -1.794 -1.690 5.703 222 HE2 PHE 29 HE1 PHE 29 0.516 -5.109 4.622 223 HZ PHE 29 HZ PHE 29 0.085 -3.222 6.147 224 H GLU 30 H GLU 30 -5.094 -5.725 0.212 225 HA GLU 30 HA GLU 30 -5.818 -4.152 -1.985 226 HB2 GLU 30 2HB GLU 30 -6.517 -7.043 -1.340 227 HB3 GLU 30 3HB GLU 30 -6.856 -6.286 -2.895 228 HG2 GLU 30 2HG GLU 30 -4.437 -5.885 -3.228 229 HG3 GLU 30 3HG GLU 30 -4.097 -6.653 -1.679 230 H GLU 31 H GLU 31 -7.860 -5.527 0.598 231 HA GLU 31 HA GLU 31 -10.331 -4.674 -0.552 232 HB2 GLU 31 2HB GLU 31 -10.098 -6.455 1.291 233 HB3 GLU 31 3HB GLU 31 -9.917 -5.120 2.430 234 HG2 GLU 31 2HG GLU 31 -12.125 -4.213 1.589 235 HG3 GLU 31 3HG GLU 31 -12.318 -5.690 0.650 236 H LEU 32 H LEU 32 -8.071 -3.272 1.769 237 HA LEU 32 HA LEU 32 -9.467 -1.002 2.567 238 HB2 LEU 32 2HB LEU 32 -6.551 -1.697 2.380 239 HB3 LEU 32 3HB LEU 32 -6.977 -0.033 2.726 240 HG LEU 32 HG LEU 32 -7.921 -2.370 4.432 241 HD11 LEU 32 1HD1 LEU 32 -6.189 -1.714 6.060 242 HD12 LEU 32 2HD1 LEU 32 -5.560 -0.524 4.917 243 HD13 LEU 32 3HD1 LEU 32 -5.467 -2.246 4.540 244 HD21 LEU 32 3HD2 LEU 32 -7.918 0.632 4.918 245 HD22 LEU 32 1HD2 LEU 32 -8.437 -0.599 6.072 246 HD23 LEU 32 2HD2 LEU 32 -9.337 -0.364 4.577 247 H VAL 33 H VAL 33 -7.516 -1.520 -0.371 248 HA VAL 33 HA VAL 33 -7.680 1.118 -1.380 249 HB VAL 33 HB VAL 33 -7.329 -1.528 -2.873 250 HG11 VAL 33 1HG1 VAL 33 -6.408 -0.151 -4.761 251 HG12 VAL 33 2HG1 VAL 33 -6.926 1.310 -3.912 252 HG13 VAL 33 3HG1 VAL 33 -8.123 0.144 -4.471 253 HG21 VAL 33 3HG2 VAL 33 -4.930 -0.916 -2.930 254 HG22 VAL 33 1HG2 VAL 33 -5.521 -1.065 -1.274 255 HG23 VAL 33 2HG2 VAL 33 -5.274 0.534 -1.984 256 H GLU 34 H GLU 34 -9.618 -1.820 -2.193 257 HA GLU 34 HA GLU 34 -11.240 -0.522 -4.107 258 HB2 GLU 34 2HB GLU 34 -12.565 -2.531 -4.215 259 HB3 GLU 34 3HB GLU 34 -10.878 -2.989 -4.024 260 HG2 GLU 34 2HG GLU 34 -11.295 -3.388 -1.601 261 HG3 GLU 34 3HG GLU 34 -12.998 -3.017 -1.850 262 H THR 35 H THR 35 -11.729 -0.949 -0.596 263 HA THR 35 HA THR 35 -14.441 0.061 -0.684 264 HB THR 35 HB THR 35 -14.349 -0.218 1.815 265 HG1 THR 35 HG1 THR 35 -12.197 0.062 2.301 266 HG21 THR 35 3HG2 THR 35 -13.437 -2.678 0.259 267 HG22 THR 35 1HG2 THR 35 -15.105 -2.111 0.416 268 HG23 THR 35 2HG2 THR 35 -14.232 -2.687 1.834 269 H ASP 36 H ASP 36 -11.208 1.177 0.311 270 HA ASP 36 HA ASP 36 -12.256 3.920 0.778 271 HB2 ASP 36 2HB ASP 36 -10.182 2.496 2.521 272 HB3 ASP 36 3HB ASP 36 -10.628 4.193 2.663 273 HA PRO 37 HA PRO 37 -8.732 3.835 -2.295 274 HB2 PRO 37 2HB PRO 37 -10.249 5.911 -3.764 275 HB3 PRO 37 3HB PRO 37 -9.668 4.343 -4.331 276 HG2 PRO 37 2HG PRO 37 -12.321 4.855 -3.905 277 HG3 PRO 37 3HG PRO 37 -11.607 3.240 -3.717 278 HD2 PRO 37 2HD PRO 37 -12.332 5.257 -1.596 279 HD3 PRO 37 3HD PRO 37 -12.545 3.490 -1.594 280 H ASP 38 H ASP 38 -10.323 6.211 -0.412 281 HA ASP 38 HA ASP 38 -8.649 8.452 -0.748 282 HB2 ASP 38 2HB ASP 38 -10.894 8.627 0.200 283 HB3 ASP 38 3HB ASP 38 -10.473 7.541 1.518 284 H TYR 39 H TYR 39 -8.473 5.601 1.422 285 HA TYR 39 HA TYR 39 -6.585 6.744 3.224 286 HB2 TYR 39 2HB TYR 39 -8.143 4.832 3.802 287 HB3 TYR 39 3HB TYR 39 -7.114 3.766 2.846 288 HD1 TYR 39 HD1 TYR 39 -6.200 6.521 5.249 289 HD2 TYR 39 HD2 TYR 39 -6.039 2.332 4.440 290 HE1 TYR 39 HE1 TYR 39 -4.764 6.197 7.205 291 HE2 TYR 39 HE2 TYR 39 -4.599 2.014 6.401 292 HH TYR 39 HH TYR 39 -4.177 4.344 8.780 293 H VAL 40 H VAL 40 -4.767 7.437 2.430 294 HA VAL 40 HA VAL 40 -3.378 6.403 0.170 295 HB VAL 40 HB VAL 40 -2.264 8.349 2.248 296 HG11 VAL 40 1HG1 VAL 40 -0.610 7.550 0.641 297 HG12 VAL 40 2HG1 VAL 40 -0.976 9.248 0.344 298 HG13 VAL 40 3HG1 VAL 40 -1.658 8.006 -0.707 299 HG21 VAL 40 3HG2 VAL 40 -4.001 9.055 -0.150 300 HG22 VAL 40 1HG2 VAL 40 -3.188 10.204 0.914 301 HG23 VAL 40 2HG2 VAL 40 -4.478 9.178 1.547 302 H GLY 41 H GLY 41 -3.081 5.984 3.645 303 HA2 GLY 41 2HA GLY 41 -0.440 5.085 3.934 304 HA3 GLY 41 3HA GLY 41 -1.770 4.705 5.013 305 H THR 42 H THR 42 -3.345 3.316 3.005 306 HA THR 42 HA THR 42 -2.429 0.684 3.151 307 HB THR 42 HB THR 42 -4.379 1.979 1.193 308 HG1 THR 42 HG1 THR 42 -5.875 1.438 2.676 309 HG21 THR 42 3HG2 THR 42 -5.249 -0.314 0.820 310 HG22 THR 42 1HG2 THR 42 -3.925 -0.975 1.784 311 HG23 THR 42 2HG2 THR 42 -3.588 -0.158 0.255 312 H TYR 43 H TYR 43 -2.218 3.030 0.452 313 HA TYR 43 HA TYR 43 -1.537 1.225 -1.558 314 HB2 TYR 43 2HB TYR 43 -1.084 4.216 -1.346 315 HB3 TYR 43 3HB TYR 43 -0.757 3.301 -2.817 316 HD1 TYR 43 HD1 TYR 43 -2.659 2.079 -3.965 317 HD2 TYR 43 HD2 TYR 43 -3.369 4.885 -0.825 318 HE1 TYR 43 HE1 TYR 43 -4.979 2.312 -4.697 319 HE2 TYR 43 HE2 TYR 43 -5.697 5.113 -1.573 320 HH TYR 43 HH TYR 43 -6.999 4.783 -3.617 321 H TYR 44 H TYR 44 0.638 3.336 0.330 322 HA TYR 44 HA TYR 44 3.078 2.573 -0.652 323 HB2 TYR 44 2HB TYR 44 2.657 4.371 1.032 324 HB3 TYR 44 3HB TYR 44 2.394 3.141 2.267 325 HD1 TYR 44 HD2 TYR 44 4.995 4.278 -0.216 326 HD2 TYR 44 HD1 TYR 44 4.257 2.464 3.588 327 HE1 TYR 44 HE2 TYR 44 7.409 4.276 0.264 328 HE2 TYR 44 HE1 TYR 44 6.659 2.461 4.052 329 HH TYR 44 HH TYR 44 8.876 4.250 2.333 330 H HIS 45 H HIS 45 1.481 1.110 2.172 331 HA HIS 45 HA HIS 45 3.435 -0.901 2.600 332 HB2 HIS 45 2HB HIS 45 0.600 -0.629 3.669 333 HB3 HIS 45 3HB HIS 45 1.738 -1.854 4.228 334 HD1 HIS 45 HD1 HIS 45 2.962 -1.178 6.270 335 HD2 HIS 45 HD2 HIS 45 1.848 2.117 4.017 336 HE1 HIS 45 HE1 HIS 45 3.746 0.813 7.561 337 HE2 HIS 45 HE2 HIS 45 2.831 2.781 6.300 338 H LEU 46 H LEU 46 0.478 -0.949 0.704 339 HA LEU 46 HA LEU 46 0.342 -3.785 0.327 340 HB2 LEU 46 2HB LEU 46 -1.665 -2.408 0.041 341 HB3 LEU 46 3HB LEU 46 -0.903 -1.511 -1.256 342 HG LEU 46 HG LEU 46 -0.929 -3.494 -2.713 343 HD11 LEU 46 1HD1 LEU 46 -0.629 -5.271 -1.037 344 HD12 LEU 46 2HD1 LEU 46 -1.999 -5.601 -2.093 345 HD13 LEU 46 3HD1 LEU 46 -2.275 -5.008 -0.455 346 HD21 LEU 46 3HD2 LEU 46 -2.901 -2.052 -2.768 347 HD22 LEU 46 1HD2 LEU 46 -3.650 -2.993 -1.474 348 HD23 LEU 46 2HD2 LEU 46 -3.351 -3.732 -3.050 349 H GLY 47 H GLY 47 1.749 -1.044 -1.446 350 HA2 GLY 47 2HA GLY 47 2.552 -2.499 -3.757 351 HA3 GLY 47 3HA GLY 47 3.135 -0.922 -3.250 352 H LYS 48 H LYS 48 4.129 -1.662 -0.679 353 HA LYS 48 HA LYS 48 6.733 -2.581 -1.283 354 HB2 LYS 48 2HB LYS 48 5.336 -2.460 1.427 355 HB3 LYS 48 3HB LYS 48 7.067 -2.679 1.193 356 HG2 LYS 48 2HG LYS 48 5.484 -0.210 0.410 357 HG3 LYS 48 3HG LYS 48 6.465 -0.366 1.859 358 HD2 LYS 48 2HD LYS 48 7.685 -0.674 -0.911 359 HD3 LYS 48 3HD LYS 48 7.442 0.915 -0.189 360 HE2 LYS 48 2HE LYS 48 9.733 0.142 0.177 361 HE3 LYS 48 3HE LYS 48 8.877 0.296 1.706 362 HZ1 LYS 48 3HZ LYS 48 8.603 -2.062 1.780 363 HZ2 LYS 48 1HZ LYS 48 10.233 -1.696 1.563 364 HZ3 LYS 48 2HZ LYS 48 9.316 -2.251 0.263 365 H LEU 49 H LEU 49 3.869 -4.139 0.060 366 HA LEU 49 HA LEU 49 4.982 -6.701 0.573 367 HB2 LEU 49 2HB LEU 49 2.977 -5.944 1.693 368 HB3 LEU 49 3HB LEU 49 2.125 -5.773 0.168 369 HG LEU 49 HG LEU 49 1.998 -8.190 -0.122 370 HD11 LEU 49 1HD1 LEU 49 4.182 -8.869 0.755 371 HD12 LEU 49 2HD1 LEU 49 2.894 -9.789 1.526 372 HD13 LEU 49 3HD1 LEU 49 3.673 -8.467 2.397 373 HD21 LEU 49 3HD2 LEU 49 1.253 -7.427 2.727 374 HD22 LEU 49 1HD2 LEU 49 0.610 -8.798 1.816 375 HD23 LEU 49 2HD2 LEU 49 0.267 -7.153 1.286 376 H TYR 50 H TYR 50 3.252 -5.343 -2.222 377 HA TYR 50 HA TYR 50 3.175 -7.578 -3.885 378 HB2 TYR 50 2HB TYR 50 3.275 -4.611 -4.430 379 HB3 TYR 50 3HB TYR 50 3.418 -5.724 -5.783 380 HD1 TYR 50 HD2 TYR 50 1.463 -7.866 -4.906 381 HD2 TYR 50 HD1 TYR 50 1.153 -3.602 -4.858 382 HE1 TYR 50 HE2 TYR 50 -0.977 -8.037 -5.130 383 HE2 TYR 50 HE1 TYR 50 -1.278 -3.786 -5.089 384 HH TYR 50 HH TYR 50 -2.955 -6.700 -4.680 385 H GLU 51 H GLU 51 5.780 -5.142 -3.549 386 HA GLU 51 HA GLU 51 7.571 -6.134 -5.458 387 HB2 GLU 51 2HB GLU 51 8.171 -4.702 -2.840 388 HB3 GLU 51 3HB GLU 51 9.343 -4.942 -4.137 389 HG2 GLU 51 2HG GLU 51 7.965 -3.579 -5.651 390 HG3 GLU 51 3HG GLU 51 6.765 -3.358 -4.381 391 H ARG 52 H ARG 52 7.071 -7.085 -2.086 392 HA ARG 52 HA ARG 52 9.240 -8.877 -1.743 393 HB2 ARG 52 2HB ARG 52 6.470 -8.899 -0.465 394 HB3 ARG 52 3HB ARG 52 7.840 -9.852 0.105 395 HG2 ARG 52 2HG ARG 52 9.058 -7.821 0.693 396 HG3 ARG 52 3HG ARG 52 7.774 -6.819 0.012 397 HD2 ARG 52 2HD ARG 52 7.623 -6.908 2.463 398 HD3 ARG 52 3HD ARG 52 6.204 -7.645 1.717 399 HE ARG 52 HE ARG 52 7.645 -9.816 2.102 400 HH11 ARG 52 1HH1 ARG 52 7.276 -7.151 4.381 401 HH12 ARG 52 2HH1 ARG 52 7.400 -8.188 5.765 402 HH21 ARG 52 1HH2 ARG 52 7.789 -11.131 3.921 403 HH22 ARG 52 2HH2 ARG 52 7.695 -10.435 5.506 404 H LEU 53 H LEU 53 5.968 -9.295 -3.005 405 HA LEU 53 HA LEU 53 6.209 -12.181 -3.340 406 HB2 LEU 53 2HB LEU 53 3.961 -10.264 -4.054 407 HB3 LEU 53 3HB LEU 53 3.850 -12.018 -4.084 408 HG LEU 53 HG LEU 53 4.279 -10.325 -1.587 409 HD11 LEU 53 1HD1 LEU 53 2.016 -10.067 -2.463 410 HD12 LEU 53 2HD1 LEU 53 2.006 -10.980 -0.957 411 HD13 LEU 53 3HD1 LEU 53 1.808 -11.820 -2.497 412 HD21 LEU 53 3HD2 LEU 53 5.380 -12.507 -1.352 413 HD22 LEU 53 1HD2 LEU 53 3.892 -13.333 -1.828 414 HD23 LEU 53 2HD2 LEU 53 3.956 -12.415 -0.321 415 H ASP 54 H ASP 54 7.710 -9.998 -5.056 416 HA ASP 54 HA ASP 54 8.440 -9.640 -7.162 417 HB2 ASP 54 2HB ASP 54 7.386 -12.464 -7.618 418 HB3 ASP 54 3HB ASP 54 8.397 -11.596 -8.769 419 H ARG 55 H ARG 55 5.547 -9.145 -6.443 420 HA ARG 55 HA ARG 55 4.242 -8.929 -9.059 421 HB2 ARG 55 2HB ARG 55 3.218 -8.237 -6.262 422 HB3 ARG 55 3HB ARG 55 2.256 -8.217 -7.735 423 HG2 ARG 55 2HG ARG 55 3.457 -10.662 -6.393 424 HG3 ARG 55 3HG ARG 55 1.753 -10.199 -6.426 425 HD2 ARG 55 2HD ARG 55 3.458 -11.093 -8.773 426 HD3 ARG 55 3HD ARG 55 2.107 -11.966 -8.042 427 HE ARG 55 HE ARG 55 1.553 -9.340 -9.203 428 HH11 ARG 55 1HH1 ARG 55 1.214 -12.815 -9.528 429 HH12 ARG 55 2HH1 ARG 55 0.139 -12.693 -10.879 430 HH21 ARG 55 1HH2 ARG 55 0.133 -9.184 -10.923 431 HH22 ARG 55 2HH2 ARG 55 -0.479 -10.623 -11.686 432 H THR 56 H THR 56 6.471 -7.471 -9.022 433 HA THR 56 HA THR 56 6.489 -4.930 -7.835 434 HB THR 56 HB THR 56 7.950 -5.946 -10.307 435 HG1 THR 56 HG1 THR 56 9.358 -6.780 -8.914 436 HG21 THR 56 3HG2 THR 56 8.093 -3.489 -10.196 437 HG22 THR 56 1HG2 THR 56 9.647 -4.222 -9.789 438 HG23 THR 56 2HG2 THR 56 8.613 -3.583 -8.511 439 H ASP 57 H ASP 57 5.195 -6.008 -10.967 440 HA ASP 57 HA ASP 57 4.715 -3.443 -12.100 441 HB2 ASP 57 2HB ASP 57 4.718 -5.609 -13.382 442 HB3 ASP 57 3HB ASP 57 3.184 -6.031 -12.629 443 H ASP 58 H ASP 58 2.765 -5.603 -10.122 444 HA ASP 58 HA ASP 58 0.337 -4.133 -10.066 445 HB2 ASP 58 2HB ASP 58 1.418 -5.994 -7.898 446 HB3 ASP 58 3HB ASP 58 -0.268 -5.540 -8.143 447 H ALA 59 H ALA 59 3.277 -4.095 -8.117 448 HA ALA 59 HA ALA 59 2.531 -2.330 -6.065 449 HB1 ALA 59 3HB ALA 59 5.275 -2.735 -7.304 450 HB2 ALA 59 1HB ALA 59 4.578 -3.691 -5.996 451 HB3 ALA 59 2HB ALA 59 4.946 -1.986 -5.739 452 H ILE 60 H ILE 60 4.061 -1.702 -9.239 453 HA ILE 60 HA ILE 60 4.389 1.069 -9.131 454 HB ILE 60 HB ILE 60 3.741 -0.677 -11.561 455 HG12 ILE 60 2HG1 ILE 60 5.842 -1.331 -10.375 456 HG13 ILE 60 3HG1 ILE 60 6.170 -0.709 -11.987 457 HG21 ILE 60 1HG2 ILE 60 4.737 1.127 -12.958 458 HG22 ILE 60 2HG2 ILE 60 4.857 2.153 -11.526 459 HG23 ILE 60 3HG2 ILE 60 3.274 1.656 -12.125 460 HD11 ILE 60 3HD1 ILE 60 6.529 0.795 -9.394 461 HD12 ILE 60 1HD1 ILE 60 6.834 1.440 -11.009 462 HD13 ILE 60 2HD1 ILE 60 7.798 0.099 -10.401 463 H ASP 61 H ASP 61 1.591 -0.844 -10.131 464 HA ASP 61 HA ASP 61 -0.108 1.250 -11.007 465 HB2 ASP 61 2HB ASP 61 -0.412 -1.180 -11.568 466 HB3 ASP 61 3HB ASP 61 -0.857 -1.499 -9.899 467 H THR 62 H THR 62 0.219 -0.426 -7.883 468 HA THR 62 HA THR 62 -1.901 0.830 -6.501 469 HB THR 62 HB THR 62 0.596 -0.532 -5.389 470 HG1 THR 62 HG1 THR 62 -1.991 -1.515 -6.054 471 HG21 THR 62 3HG2 THR 62 -0.593 0.764 -3.638 472 HG22 THR 62 1HG2 THR 62 -0.762 -0.973 -3.376 473 HG23 THR 62 2HG2 THR 62 -2.101 -0.051 -4.059 474 H TYR 63 H TYR 63 1.552 1.583 -6.731 475 HA TYR 63 HA TYR 63 1.596 3.729 -4.877 476 HB2 TYR 63 2HB TYR 63 3.456 3.064 -7.183 477 HB3 TYR 63 3HB TYR 63 3.746 4.390 -6.058 478 HD1 TYR 63 HD2 TYR 63 3.038 3.207 -3.450 479 HD2 TYR 63 HD1 TYR 63 5.155 1.476 -6.727 480 HE1 TYR 63 HE2 TYR 63 4.218 1.713 -1.907 481 HE2 TYR 63 HE1 TYR 63 6.331 -0.013 -5.182 482 HH TYR 63 HH TYR 63 5.436 -0.337 -1.919 483 H ALA 64 H ALA 64 1.191 3.591 -8.407 484 HA ALA 64 HA ALA 64 1.019 6.313 -8.986 485 HB1 ALA 64 3HB ALA 64 1.278 4.574 -10.688 486 HB2 ALA 64 1HB ALA 64 -0.104 5.608 -11.058 487 HB3 ALA 64 2HB ALA 64 -0.359 4.001 -10.373 488 H GLN 65 H GLN 65 -1.588 4.021 -8.133 489 HA GLN 65 HA GLN 65 -3.756 5.832 -8.123 490 HB2 GLN 65 2HB GLN 65 -3.282 3.249 -6.585 491 HB3 GLN 65 3HB GLN 65 -4.801 4.137 -6.500 492 HG2 GLN 65 2HG GLN 65 -3.608 2.970 -9.030 493 HG3 GLN 65 3HG GLN 65 -4.881 2.225 -8.066 494 HE21 GLN 65 1HE2 GLN 65 -6.304 4.718 -7.520 495 HE22 GLN 65 2HE2 GLN 65 -7.065 5.183 -8.989 496 H GLY 66 H GLY 66 -1.452 4.862 -5.641 497 HA2 GLY 66 2HA GLY 66 -2.393 6.280 -3.432 498 HA3 GLY 66 3HA GLY 66 -0.726 5.806 -3.710 499 H ILE 67 H ILE 67 -0.194 7.297 -6.017 500 HA ILE 67 HA ILE 67 0.705 9.730 -5.011 501 HB ILE 67 HB ILE 67 0.353 8.690 -7.852 502 HG12 ILE 67 2HG1 ILE 67 2.898 9.213 -6.233 503 HG13 ILE 67 3HG1 ILE 67 2.106 7.647 -6.354 504 HG21 ILE 67 1HG2 ILE 67 1.663 11.336 -7.118 505 HG22 ILE 67 2HG2 ILE 67 0.191 11.127 -8.063 506 HG23 ILE 67 3HG2 ILE 67 1.732 10.571 -8.710 507 HD11 ILE 67 3HD1 ILE 67 4.033 7.818 -7.811 508 HD12 ILE 67 1HD1 ILE 67 3.308 9.189 -8.646 509 HD13 ILE 67 2HD1 ILE 67 2.556 7.593 -8.747 510 H GLU 68 H GLU 68 -2.135 9.011 -7.034 511 HA GLU 68 HA GLU 68 -3.032 11.624 -7.543 512 HB2 GLU 68 2HB GLU 68 -4.712 9.094 -7.245 513 HB3 GLU 68 3HB GLU 68 -5.205 10.572 -8.074 514 HG2 GLU 68 2HG GLU 68 -3.450 10.225 -9.767 515 HG3 GLU 68 3HG GLU 68 -2.908 8.775 -8.924 516 H VAL 69 H VAL 69 -3.833 9.358 -4.948 517 HA VAL 69 HA VAL 69 -5.665 11.226 -3.662 518 HB VAL 69 HB VAL 69 -6.064 9.482 -1.971 519 HG11 VAL 69 1HG1 VAL 69 -7.128 7.816 -3.476 520 HG12 VAL 69 2HG1 VAL 69 -6.215 8.463 -4.839 521 HG13 VAL 69 3HG1 VAL 69 -7.413 9.469 -4.021 522 HG21 VAL 69 3HG2 VAL 69 -4.036 7.800 -3.501 523 HG22 VAL 69 1HG2 VAL 69 -5.070 7.234 -2.184 524 HG23 VAL 69 2HG2 VAL 69 -3.828 8.445 -1.871 525 H ALA 70 H ALA 70 -2.309 10.504 -3.446 526 HA ALA 70 HA ALA 70 -1.868 11.358 -0.735 527 HB1 ALA 70 3HB ALA 70 0.113 11.139 -3.020 528 HB2 ALA 70 1HB ALA 70 -0.294 9.868 -1.867 529 HB3 ALA 70 2HB ALA 70 0.518 11.332 -1.311 530 H ARG 71 H ARG 71 -1.426 12.902 -3.913 531 HA ARG 71 HA ARG 71 -0.453 15.379 -2.898 532 HB2 ARG 71 2HB ARG 71 -0.790 16.241 -5.215 533 HB3 ARG 71 3HB ARG 71 0.135 14.749 -5.147 534 HG2 ARG 71 2HG ARG 71 -1.784 13.462 -5.909 535 HG3 ARG 71 3HG ARG 71 -2.809 14.897 -5.852 536 HD2 ARG 71 2HD ARG 71 -0.395 14.544 -7.663 537 HD3 ARG 71 3HD ARG 71 -2.081 14.336 -8.153 538 HE ARG 71 HE ARG 71 -2.144 16.821 -7.180 539 HH11 ARG 71 1HH1 ARG 71 0.144 15.375 -9.413 540 HH12 ARG 71 2HH1 ARG 71 0.437 16.860 -10.257 541 HH21 ARG 71 1HH2 ARG 71 -1.742 18.756 -8.271 542 HH22 ARG 71 2HH2 ARG 71 -0.631 18.789 -9.604 543 H GLU 72 H GLU 72 -3.714 14.228 -3.713 544 HA GLU 72 HA GLU 72 -4.860 16.893 -3.292 545 HB2 GLU 72 2HB GLU 72 -6.311 14.285 -3.898 546 HB3 GLU 72 3HB GLU 72 -6.976 15.912 -3.993 547 HG2 GLU 72 2HG GLU 72 -4.842 14.713 -5.784 548 HG3 GLU 72 3HG GLU 72 -6.511 15.069 -6.221 549 H GLU 73 H GLU 73 -5.266 13.631 -1.820 550 HA GLU 73 HA GLU 73 -6.933 14.735 0.315 551 HB2 GLU 73 2HB GLU 73 -6.236 11.818 -0.195 552 HB3 GLU 73 3HB GLU 73 -7.549 12.431 0.806 553 HG2 GLU 73 2HG GLU 73 -7.326 12.605 -2.217 554 HG3 GLU 73 3HG GLU 73 -8.410 11.560 -1.297 555 H GLY 74 H GLY 74 -3.878 12.943 -0.005 556 HA2 GLY 74 2HA GLY 74 -3.396 12.763 2.857 557 HA3 GLY 74 3HA GLY 74 -2.334 12.219 1.563 558 H THR 75 H THR 75 -0.542 13.204 2.737 559 HA THR 75 HA THR 75 -0.316 16.124 2.185 560 HB THR 75 HB THR 75 1.504 16.149 3.903 561 HG1 THR 75 HG1 THR 75 1.042 13.431 3.857 562 HG21 THR 75 3HG2 THR 75 -1.145 15.095 4.971 563 HG22 THR 75 1HG2 THR 75 -0.784 16.782 4.596 564 HG23 THR 75 2HG2 THR 75 0.071 15.966 5.907 565 H GLN 76 H GLN 76 2.078 16.780 1.888 566 HA GLN 76 HA GLN 76 3.198 15.668 -0.428 567 HB2 GLN 76 2HB GLN 76 3.623 17.983 0.289 568 HB3 GLN 76 3HB GLN 76 4.481 17.417 1.716 569 HG2 GLN 76 2HG GLN 76 6.061 18.212 0.040 570 HG3 GLN 76 3HG GLN 76 6.265 16.481 0.288 571 HE21 GLN 76 1HE2 GLN 76 5.224 18.954 -1.945 572 HE22 GLN 76 2HE2 GLN 76 5.134 17.941 -3.341 573 H LYS 77 H LYS 77 3.744 14.934 2.965 574 HA LYS 77 HA LYS 77 6.026 13.348 2.906 575 HB2 LYS 77 2HB LYS 77 5.090 13.909 5.031 576 HB3 LYS 77 3HB LYS 77 3.515 13.247 4.609 577 HG2 LYS 77 2HG LYS 77 4.347 10.980 4.750 578 HG3 LYS 77 3HG LYS 77 6.002 11.548 4.967 579 HD2 LYS 77 2HD LYS 77 5.425 12.491 7.156 580 HD3 LYS 77 3HD LYS 77 3.731 12.041 6.930 581 HE2 LYS 77 2HE LYS 77 4.995 10.456 8.402 582 HE3 LYS 77 3HE LYS 77 4.285 9.680 6.986 583 HZ1 LYS 77 3HZ LYS 77 6.415 9.659 5.918 584 HZ2 LYS 77 1HZ LYS 77 6.583 8.968 7.447 585 HZ3 LYS 77 2HZ LYS 77 7.121 10.546 7.171 586 H ASP 78 H ASP 78 2.641 12.373 2.402 587 HA ASP 78 HA ASP 78 3.090 9.612 1.897 588 HB2 ASP 78 2HB ASP 78 0.781 11.420 1.040 589 HB3 ASP 78 3HB ASP 78 0.770 9.664 0.914 590 H LEU 79 H LEU 79 2.706 12.445 -0.192 591 HA LEU 79 HA LEU 79 2.555 11.192 -2.681 592 HB2 LEU 79 2HB LEU 79 1.958 13.563 -2.259 593 HB3 LEU 79 3HB LEU 79 3.657 13.957 -2.031 594 HG LEU 79 HG LEU 79 4.102 13.347 -4.421 595 HD11 LEU 79 1HD1 LEU 79 2.321 11.707 -4.758 596 HD12 LEU 79 2HD1 LEU 79 2.218 12.982 -5.966 597 HD13 LEU 79 3HD1 LEU 79 1.095 12.969 -4.604 598 HD21 LEU 79 3HD2 LEU 79 3.654 15.690 -3.857 599 HD22 LEU 79 1HD2 LEU 79 1.918 15.428 -4.048 600 HD23 LEU 79 2HD2 LEU 79 2.993 15.304 -5.443 601 H SER 80 H SER 80 5.390 12.569 -1.031 602 HA SER 80 HA SER 80 7.302 12.059 -3.026 603 HB2 SER 80 2HB SER 80 7.683 12.425 -0.028 604 HB3 SER 80 3HB SER 80 8.967 12.517 -1.240 605 HG SER 80 HG SER 80 6.735 14.234 -0.921 606 H GLU 81 H GLU 81 6.252 10.123 -0.203 607 HA GLU 81 HA GLU 81 8.235 8.095 -0.402 608 HB2 GLU 81 2HB GLU 81 5.486 8.111 0.884 609 HB3 GLU 81 3HB GLU 81 6.581 6.733 1.009 610 HG2 GLU 81 2HG GLU 81 8.270 8.228 2.084 611 HG3 GLU 81 3HG GLU 81 7.091 9.541 2.029 612 H LEU 82 H LEU 82 5.006 8.372 -1.811 613 HA LEU 82 HA LEU 82 4.893 5.685 -2.830 614 HB2 LEU 82 2HB LEU 82 3.268 8.180 -3.380 615 HB3 LEU 82 3HB LEU 82 2.888 6.618 -4.095 616 HG LEU 82 HG LEU 82 3.085 6.948 -1.077 617 HD11 LEU 82 1HD1 LEU 82 0.585 7.306 -2.722 618 HD12 LEU 82 2HD1 LEU 82 1.431 8.571 -1.832 619 HD13 LEU 82 3HD1 LEU 82 0.681 7.236 -0.964 620 HD21 LEU 82 3HD2 LEU 82 3.145 4.647 -1.977 621 HD22 LEU 82 1HD2 LEU 82 1.606 4.926 -2.796 622 HD23 LEU 82 2HD2 LEU 82 1.689 4.942 -1.032 623 H GLN 83 H GLN 83 5.700 8.835 -4.221 624 HA GLN 83 HA GLN 83 6.174 7.987 -6.895 625 HB2 GLN 83 2HB GLN 83 7.283 10.379 -5.357 626 HB3 GLN 83 3HB GLN 83 7.452 10.148 -7.097 627 HG2 GLN 83 2HG GLN 83 5.025 10.291 -7.384 628 HG3 GLN 83 3HG GLN 83 4.803 10.427 -5.644 629 HE21 GLN 83 1HE2 GLN 83 7.027 12.263 -5.239 630 HE22 GLN 83 2HE2 GLN 83 6.537 13.778 -5.898 631 H ASP 84 H ASP 84 8.159 8.171 -3.979 632 HA ASP 84 HA ASP 84 10.679 7.555 -5.155 633 HB2 ASP 84 2HB ASP 84 10.524 8.658 -2.959 634 HB3 ASP 84 3HB ASP 84 9.711 7.252 -2.280 635 H ALA 85 H ALA 85 8.180 5.614 -3.558 636 HA ALA 85 HA ALA 85 9.689 3.229 -3.427 637 HB1 ALA 85 3HB ALA 85 7.614 2.183 -2.665 638 HB2 ALA 85 1HB ALA 85 6.694 3.607 -3.164 639 HB3 ALA 85 2HB ALA 85 7.869 3.729 -1.853 640 H LYS 86 H LYS 86 7.278 4.453 -5.760 641 HA LYS 86 HA LYS 86 7.378 2.116 -7.384 642 HB2 LYS 86 2HB LYS 86 6.206 3.321 -9.104 643 HB3 LYS 86 3HB LYS 86 5.494 3.694 -7.544 644 HG2 LYS 86 2HG LYS 86 6.441 5.887 -7.520 645 HG3 LYS 86 3HG LYS 86 7.474 5.530 -8.905 646 HD2 LYS 86 2HD LYS 86 4.435 5.684 -8.960 647 HD3 LYS 86 3HD LYS 86 5.538 6.935 -9.535 648 HE2 LYS 86 2HE LYS 86 6.457 5.229 -11.180 649 HE3 LYS 86 3HE LYS 86 5.138 4.157 -10.703 650 HZ1 LYS 86 3HZ LYS 86 4.840 6.861 -11.889 651 HZ2 LYS 86 1HZ LYS 86 3.569 5.842 -11.439 652 HZ3 LYS 86 2HZ LYS 86 4.609 5.396 -12.692 653 H LEU 87 H LEU 87 9.385 5.137 -7.427 654 HA LEU 87 HA LEU 87 10.414 4.590 -10.021 655 HB2 LEU 87 2HB LEU 87 12.152 6.304 -9.631 656 HB3 LEU 87 3HB LEU 87 10.518 6.843 -9.351 657 HG LEU 87 HG LEU 87 10.995 6.622 -6.843 658 HD11 LEU 87 1HD1 LEU 87 13.882 6.461 -7.753 659 HD12 LEU 87 2HD1 LEU 87 12.992 5.219 -6.871 660 HD13 LEU 87 3HD1 LEU 87 13.337 6.764 -6.102 661 HD21 LEU 87 3HD2 LEU 87 12.597 8.670 -8.405 662 HD22 LEU 87 1HD2 LEU 87 12.104 8.797 -6.715 663 HD23 LEU 87 2HD2 LEU 87 10.885 8.790 -7.985 664 H LYS 88 H LYS 88 11.515 3.578 -6.818 665 HA LYS 88 HA LYS 88 13.875 2.258 -7.808 666 HB2 LYS 88 2HB LYS 88 13.939 1.082 -5.628 667 HB3 LYS 88 3HB LYS 88 13.777 2.823 -5.449 668 HG2 LYS 88 2HG LYS 88 11.463 2.634 -4.840 669 HG3 LYS 88 3HG LYS 88 11.424 0.920 -5.265 670 HD2 LYS 88 2HD LYS 88 12.951 0.399 -3.405 671 HD3 LYS 88 3HD LYS 88 13.080 2.115 -3.002 672 HE2 LYS 88 2HE LYS 88 11.494 0.817 -1.533 673 HE3 LYS 88 3HE LYS 88 10.771 2.212 -2.330 674 HZ1 LYS 88 3HZ LYS 88 10.507 -0.610 -3.226 675 HZ2 LYS 88 1HZ LYS 88 9.797 0.729 -3.972 676 HZ3 LYS 88 2HZ LYS 88 9.329 0.282 -2.415 677 H ALA 89 H ALA 89 10.484 1.206 -7.246 678 HA ALA 89 HA ALA 89 10.820 -1.504 -7.878 679 HB1 ALA 89 3HB ALA 89 8.830 -0.630 -6.764 680 HB2 ALA 89 1HB ALA 89 8.387 -1.537 -8.216 681 HB3 ALA 89 2HB ALA 89 8.368 0.229 -8.231 682 H GLU 90 H GLU 90 10.357 1.285 -10.016 683 HA GLU 90 HA GLU 90 10.007 0.129 -12.517 684 HB2 GLU 90 2HB GLU 90 11.718 2.560 -11.805 685 HB3 GLU 90 3HB GLU 90 11.172 2.164 -13.427 686 HG2 GLU 90 2HG GLU 90 9.181 2.652 -11.212 687 HG3 GLU 90 3HG GLU 90 9.933 4.001 -12.051 688 H GLY 91 H GLY 91 12.852 0.216 -10.494 689 HA2 GLY 91 2HA GLY 91 14.670 -0.746 -12.615 690 HA3 GLY 91 3HA GLY 91 15.141 -0.027 -11.089 691 H LEU 92 H LEU 92 12.787 -2.140 -10.174 692 HA LEU 92 HA LEU 92 14.574 -4.136 -9.178 693 HB2 LEU 92 2HB LEU 92 11.543 -4.112 -9.401 694 HB3 LEU 92 3HB LEU 92 12.433 -5.420 -8.636 695 HG LEU 92 HG LEU 92 12.314 -2.536 -7.676 696 HD11 LEU 92 1HD1 LEU 92 11.096 -3.449 -5.741 697 HD12 LEU 92 2HD1 LEU 92 11.142 -5.059 -6.461 698 HD13 LEU 92 3HD1 LEU 92 10.234 -3.767 -7.247 699 HD21 LEU 92 3HD2 LEU 92 14.523 -3.475 -7.198 700 HD22 LEU 92 1HD2 LEU 92 13.782 -4.897 -6.461 701 HD23 LEU 92 2HD2 LEU 92 13.590 -3.309 -5.713 702 H GLU 93 H GLU 93 11.827 -4.555 -11.390 703 HA GLU 93 HA GLU 93 12.872 -6.962 -12.571 704 HB2 GLU 93 2HB GLU 93 10.814 -6.814 -14.017 705 HB3 GLU 93 3HB GLU 93 10.487 -6.793 -12.288 706 HG2 GLU 93 2HG GLU 93 10.117 -4.373 -12.337 707 HG3 GLU 93 3HG GLU 93 10.554 -4.321 -14.047 708 H HIS 94 H HIS 94 13.032 -3.566 -13.267 709 HA HIS 94 HA HIS 94 13.879 -2.281 -14.928 710 HB2 HIS 94 2HB HIS 94 15.897 -3.751 -14.309 711 HB3 HIS 94 3HB HIS 94 15.544 -4.707 -15.736 712 HD1 HIS 94 HD1 HIS 94 16.777 -1.307 -14.692 713 HD2 HIS 94 HD2 HIS 94 16.470 -3.595 -18.146 714 HE1 HIS 94 HE1 HIS 94 18.160 -0.123 -16.405 715 HE2 HIS 94 HE2 HIS 94 17.977 -1.526 -18.481 716 H HIS 95 H HIS 95 11.544 -4.018 -15.425 717 HA HIS 95 HA HIS 95 11.431 -4.020 -18.382 718 HB2 HIS 95 2HB HIS 95 11.431 -6.335 -17.392 719 HB3 HIS 95 3HB HIS 95 10.031 -5.914 -16.417 720 HD1 HIS 95 HD1 HIS 95 7.834 -6.519 -17.423 721 HD2 HIS 95 HD2 HIS 95 10.790 -6.151 -20.323 722 HE1 HIS 95 HE1 HIS 95 6.744 -7.174 -19.587 723 HE2 HIS 95 HE2 HIS 95 8.499 -6.771 -21.339 724 H HIS 96 H HIS 96 10.868 -1.942 -16.321 725 HA HIS 96 HA HIS 96 8.078 -1.692 -15.887 726 HB2 HIS 96 2HB HIS 96 8.532 0.438 -14.942 727 HB3 HIS 96 3HB HIS 96 9.952 -0.530 -14.577 728 HD1 HIS 96 HD1 HIS 96 8.863 2.573 -16.205 729 HD2 HIS 96 HD2 HIS 96 12.293 0.233 -16.130 730 HE1 HIS 96 HE1 HIS 96 10.670 4.002 -17.189 731 HE2 HIS 96 HE2 HIS 96 12.764 2.634 -16.948 732 H HIS 97 H HIS 97 6.613 -0.221 -16.843 733 HA HIS 97 HA HIS 97 7.149 0.371 -19.706 734 HB2 HIS 97 2HB HIS 97 4.683 0.009 -20.054 735 HB3 HIS 97 3HB HIS 97 5.544 -1.434 -19.547 736 HD1 HIS 97 HD1 HIS 97 2.745 0.773 -18.573 737 HD2 HIS 97 HD2 HIS 97 5.025 -2.233 -16.844 738 HE1 HIS 97 HE1 HIS 97 1.473 0.047 -16.535 739 HE2 HIS 97 HE2 HIS 97 2.907 -1.725 -15.474 740 H HIS 98 H HIS 98 5.471 2.043 -20.539 741 HA HIS 98 HA HIS 98 6.000 4.458 -18.988 742 HB2 HIS 98 2HB HIS 98 6.580 4.416 -21.385 743 HB3 HIS 98 3HB HIS 98 4.905 4.096 -21.817 744 HD1 HIS 98 HD1 HIS 98 7.092 6.821 -20.365 745 HD2 HIS 98 HD2 HIS 98 3.310 6.365 -22.028 746 HE1 HIS 98 HE1 HIS 98 6.227 9.149 -20.719 747 HE2 HIS 98 HE2 HIS 98 3.875 8.837 -21.566 748 H HIS 99 H HIS 99 4.512 4.700 -17.379 749 HA HIS 99 HA HIS 99 1.632 4.499 -17.929 750 HB2 HIS 99 2HB HIS 99 2.404 3.561 -15.805 751 HB3 HIS 99 3HB HIS 99 3.164 5.082 -15.353 752 HD1 HIS 99 HD1 HIS 99 1.740 6.690 -14.047 753 HD2 HIS 99 HD2 HIS 99 -0.528 3.724 -15.863 754 HE1 HIS 99 HE1 HIS 99 -0.591 6.991 -13.173 755 HE2 HIS 99 HE2 HIS 99 -1.895 5.083 -14.155 Start of MODEL 2 1 H1 GLU 1 1H GLU 1 -11.886 -4.935 21.401 2 H2 GLU 1 2H GLU 1 -11.166 -5.985 20.285 3 H3 GLU 1 3H GLU 1 -12.829 -6.065 20.567 4 HA GLU 1 HA GLU 1 -13.193 -3.946 19.627 5 HB2 GLU 1 2HB GLU 1 -11.357 -2.624 18.636 6 HB3 GLU 1 3HB GLU 1 -11.064 -2.888 20.351 7 HG2 GLU 1 2HG GLU 1 -9.496 -4.765 19.719 8 HG3 GLU 1 3HG GLU 1 -9.706 -4.312 18.032 9 H ASP 2 H ASP 2 -13.911 -4.014 17.519 10 HA ASP 2 HA ASP 2 -13.345 -6.351 15.911 11 HB2 ASP 2 2HB ASP 2 -14.974 -5.383 14.309 12 HB3 ASP 2 3HB ASP 2 -15.618 -5.392 15.946 13 HA PRO 3 HA PRO 3 -10.170 -4.288 13.424 14 HB2 PRO 3 2HB PRO 3 -9.811 -6.076 11.447 15 HB3 PRO 3 3HB PRO 3 -9.399 -6.483 13.120 16 HG2 PRO 3 2HG PRO 3 -11.869 -7.217 11.546 17 HG3 PRO 3 3HG PRO 3 -10.868 -8.243 12.602 18 HD2 PRO 3 2HD PRO 3 -13.233 -7.018 13.405 19 HD3 PRO 3 3HD PRO 3 -11.938 -7.504 14.522 20 H GLU 4 H GLU 4 -13.391 -4.276 12.646 21 HA GLU 4 HA GLU 4 -13.451 -3.926 9.835 22 HB2 GLU 4 2HB GLU 4 -15.498 -2.965 11.871 23 HB3 GLU 4 3HB GLU 4 -15.770 -3.170 10.142 24 HG2 GLU 4 2HG GLU 4 -15.154 -5.380 12.130 25 HG3 GLU 4 3HG GLU 4 -16.735 -5.012 11.444 26 H ASP 5 H ASP 5 -12.828 -1.718 12.453 27 HA ASP 5 HA ASP 5 -12.872 0.745 11.086 28 HB2 ASP 5 2HB ASP 5 -12.612 0.565 13.532 29 HB3 ASP 5 3HB ASP 5 -11.064 -0.236 13.335 30 HA PRO 6 HA PRO 6 -9.796 0.074 7.859 31 HB2 PRO 6 2HB PRO 6 -9.211 3.019 8.219 32 HB3 PRO 6 3HB PRO 6 -9.562 2.109 6.738 33 HG2 PRO 6 2HG PRO 6 -11.445 3.632 7.842 34 HG3 PRO 6 3HG PRO 6 -11.863 2.040 7.168 35 HD2 PRO 6 2HD PRO 6 -11.508 2.845 10.055 36 HD3 PRO 6 3HD PRO 6 -12.707 1.755 9.325 37 H PHE 7 H PHE 7 -8.661 2.349 10.398 38 HA PHE 7 HA PHE 7 -5.906 1.821 10.060 39 HB2 PHE 7 2HB PHE 7 -6.698 3.892 11.087 40 HB3 PHE 7 3HB PHE 7 -7.408 3.001 12.429 41 HD1 PHE 7 HD1 PHE 7 -4.102 3.584 10.749 42 HD2 PHE 7 HD2 PHE 7 -6.139 2.777 14.427 43 HE1 PHE 7 HE1 PHE 7 -1.986 3.808 11.978 44 HE2 PHE 7 HE2 PHE 7 -4.014 3.014 15.648 45 HZ PHE 7 HZ PHE 7 -1.937 3.527 14.424 46 H THR 8 H THR 8 -8.361 0.258 12.070 47 HA THR 8 HA THR 8 -6.581 -1.110 13.820 48 HB THR 8 HB THR 8 -9.454 -1.862 13.109 49 HG1 THR 8 HG1 THR 8 -8.866 0.325 14.056 50 HG21 THR 8 3HG2 THR 8 -7.795 -2.584 15.565 51 HG22 THR 8 1HG2 THR 8 -8.260 -3.708 14.278 52 HG23 THR 8 2HG2 THR 8 -9.491 -2.990 15.313 53 H ARG 9 H ARG 9 -8.279 -2.170 10.816 54 HA ARG 9 HA ARG 9 -7.002 -4.768 10.789 55 HB2 ARG 9 2HB ARG 9 -8.099 -5.146 8.644 56 HB3 ARG 9 3HB ARG 9 -9.235 -4.531 9.834 57 HG2 ARG 9 2HG ARG 9 -8.710 -2.201 8.720 58 HG3 ARG 9 3HG ARG 9 -8.148 -3.192 7.372 59 HD2 ARG 9 2HD ARG 9 -10.940 -3.129 8.579 60 HD3 ARG 9 3HD ARG 9 -10.448 -2.566 6.983 61 HE ARG 9 HE ARG 9 -10.101 -4.890 6.333 62 HH11 ARG 9 1HH1 ARG 9 -11.825 -4.511 9.358 63 HH12 ARG 9 2HH1 ARG 9 -12.709 -5.991 9.188 64 HH21 ARG 9 1HH2 ARG 9 -11.244 -6.870 6.173 65 HH22 ARG 9 2HH2 ARG 9 -12.373 -7.309 7.410 66 H TYR 10 H TYR 10 -6.288 -1.631 9.467 67 HA TYR 10 HA TYR 10 -4.243 -2.231 7.626 68 HB2 TYR 10 2HB TYR 10 -5.114 0.022 7.798 69 HB3 TYR 10 3HB TYR 10 -4.668 0.137 9.493 70 HD1 TYR 10 HD1 TYR 10 -3.191 -0.105 6.047 71 HD2 TYR 10 HD2 TYR 10 -2.569 1.085 10.109 72 HE1 TYR 10 HE1 TYR 10 -1.083 0.978 5.414 73 HE2 TYR 10 HE2 TYR 10 -0.455 2.168 9.462 74 HH TYR 10 HH TYR 10 0.344 2.935 6.387 75 H ALA 11 H ALA 11 -3.999 -1.485 11.099 76 HA ALA 11 HA ALA 11 -1.211 -2.053 11.357 77 HB1 ALA 11 3HB ALA 11 -2.392 -0.514 12.876 78 HB2 ALA 11 1HB ALA 11 -1.622 -1.818 13.781 79 HB3 ALA 11 2HB ALA 11 -3.365 -1.845 13.500 80 H LEU 12 H LEU 12 -4.170 -3.926 11.710 81 HA LEU 12 HA LEU 12 -3.053 -6.277 12.901 82 HB2 LEU 12 2HB LEU 12 -5.472 -5.771 13.026 83 HB3 LEU 12 3HB LEU 12 -5.602 -5.911 11.281 84 HG LEU 12 HG LEU 12 -4.945 -8.353 11.499 85 HD11 LEU 12 1HD1 LEU 12 -3.803 -8.296 13.652 86 HD12 LEU 12 2HD1 LEU 12 -5.116 -9.470 13.663 87 HD13 LEU 12 3HD1 LEU 12 -5.323 -7.915 14.473 88 HD21 LEU 12 3HD2 LEU 12 -7.490 -7.529 12.930 89 HD22 LEU 12 1HD2 LEU 12 -7.160 -9.109 12.214 90 HD23 LEU 12 2HD2 LEU 12 -7.280 -7.685 11.184 91 H ALA 13 H ALA 13 -3.533 -5.173 9.579 92 HA ALA 13 HA ALA 13 -2.828 -7.548 8.206 93 HB1 ALA 13 3HB ALA 13 -3.906 -5.654 7.058 94 HB2 ALA 13 1HB ALA 13 -2.398 -6.095 6.258 95 HB3 ALA 13 2HB ALA 13 -2.464 -4.668 7.296 96 H GLN 14 H GLN 14 -0.958 -4.811 9.428 97 HA GLN 14 HA GLN 14 1.596 -5.739 8.598 98 HB2 GLN 14 2HB GLN 14 0.822 -3.764 10.771 99 HB3 GLN 14 3HB GLN 14 2.467 -4.026 10.186 100 HG2 GLN 14 2HG GLN 14 1.652 -3.366 7.879 101 HG3 GLN 14 3HG GLN 14 0.122 -2.907 8.627 102 HE21 GLN 14 1HE2 GLN 14 3.536 -2.183 8.395 103 HE22 GLN 14 2HE2 GLN 14 3.450 -0.584 9.054 104 H GLU 15 H GLU 15 -0.376 -6.410 11.449 105 HA GLU 15 HA GLU 15 1.579 -7.873 12.910 106 HB2 GLU 15 2HB GLU 15 -1.457 -8.153 12.896 107 HB3 GLU 15 3HB GLU 15 -0.397 -8.992 14.022 108 HG2 GLU 15 2HG GLU 15 -0.860 -6.007 13.820 109 HG3 GLU 15 3HG GLU 15 -1.378 -7.082 15.117 110 H HIS 16 H HIS 16 -0.873 -8.852 10.498 111 HA HIS 16 HA HIS 16 -0.409 -11.603 10.444 112 HB2 HIS 16 2HB HIS 16 -1.512 -9.705 8.343 113 HB3 HIS 16 3HB HIS 16 -1.312 -11.413 7.988 114 HD1 HIS 16 HD1 HIS 16 -2.694 -13.079 9.641 115 HD2 HIS 16 HD2 HIS 16 -3.894 -9.104 9.576 116 HE1 HIS 16 HE1 HIS 16 -5.014 -13.064 10.594 117 HE2 HIS 16 HE2 HIS 16 -5.691 -10.636 10.603 118 H LEU 17 H LEU 17 1.203 -8.990 8.668 119 HA LEU 17 HA LEU 17 2.892 -10.419 6.964 120 HB2 LEU 17 2HB LEU 17 3.340 -7.814 8.463 121 HB3 LEU 17 3HB LEU 17 4.470 -8.418 7.258 122 HG LEU 17 HG LEU 17 1.562 -7.741 6.680 123 HD11 LEU 17 1HD1 LEU 17 2.806 -5.718 7.282 124 HD12 LEU 17 2HD1 LEU 17 2.399 -5.729 5.571 125 HD13 LEU 17 3HD1 LEU 17 4.045 -6.104 6.086 126 HD21 LEU 17 3HD2 LEU 17 2.457 -9.441 5.171 127 HD22 LEU 17 1HD2 LEU 17 3.861 -8.429 4.815 128 HD23 LEU 17 2HD2 LEU 17 2.247 -7.916 4.318 129 H LYS 18 H LYS 18 3.541 -9.277 10.270 130 HA LYS 18 HA LYS 18 6.100 -10.482 10.533 131 HB2 LYS 18 2HB LYS 18 4.170 -9.479 12.666 132 HB3 LYS 18 3HB LYS 18 5.863 -9.882 12.954 133 HG2 LYS 18 2HG LYS 18 6.561 -8.086 11.392 134 HG3 LYS 18 3HG LYS 18 4.871 -7.686 11.087 135 HD2 LYS 18 2HD LYS 18 6.290 -7.448 13.776 136 HD3 LYS 18 3HD LYS 18 5.938 -6.110 12.680 137 HE2 LYS 18 2HE LYS 18 3.487 -6.658 12.929 138 HE3 LYS 18 3HE LYS 18 3.929 -7.826 14.176 139 HZ1 LYS 18 3HZ LYS 18 3.276 -5.720 15.126 140 HZ2 LYS 18 1HZ LYS 18 4.474 -4.909 14.257 141 HZ3 LYS 18 2HZ LYS 18 4.901 -6.021 15.453 142 H HIS 19 H HIS 19 2.845 -11.620 11.144 143 HA HIS 19 HA HIS 19 3.703 -14.110 12.413 144 HB2 HIS 19 2HB HIS 19 0.923 -13.161 11.610 145 HB3 HIS 19 3HB HIS 19 1.284 -14.552 12.632 146 HD1 HIS 19 HD1 HIS 19 -0.486 -12.103 13.531 147 HD2 HIS 19 HD2 HIS 19 3.523 -12.638 14.465 148 HE1 HIS 19 HE1 HIS 19 -0.081 -10.711 15.577 149 HE2 HIS 19 HE2 HIS 19 2.272 -11.280 16.262 150 H ASP 20 H ASP 20 4.172 -13.271 9.457 151 HA ASP 20 HA ASP 20 4.843 -14.449 7.665 152 HB2 ASP 20 2HB ASP 20 5.310 -16.380 9.112 153 HB3 ASP 20 3HB ASP 20 3.632 -16.894 9.018 154 H ASN 21 H ASN 21 1.573 -14.160 8.515 155 HA ASN 21 HA ASN 21 0.373 -15.245 6.117 156 HB2 ASN 21 2HB ASN 21 -0.890 -13.414 8.202 157 HB3 ASN 21 3HB ASN 21 -1.750 -14.354 6.997 158 HD21 ASN 21 1HD2 ASN 21 0.104 -16.725 7.565 159 HD22 ASN 21 2HD2 ASN 21 -0.515 -17.367 9.037 160 H ALA 22 H ALA 22 1.933 -13.906 4.749 161 HA ALA 22 HA ALA 22 1.493 -11.110 4.385 162 HB1 ALA 22 3HB ALA 22 2.723 -13.152 2.497 163 HB2 ALA 22 1HB ALA 22 3.591 -12.188 3.696 164 HB3 ALA 22 2HB ALA 22 2.819 -11.397 2.322 165 H SER 23 H SER 23 0.170 -14.052 2.951 166 HA SER 23 HA SER 23 -1.447 -13.079 0.915 167 HB2 SER 23 2HB SER 23 -2.813 -15.177 1.341 168 HB3 SER 23 3HB SER 23 -1.076 -15.466 1.231 169 HG SER 23 HG SER 23 -1.682 -16.536 3.032 170 H ARG 24 H ARG 24 -2.321 -13.518 4.382 171 HA ARG 24 HA ARG 24 -4.981 -12.530 4.160 172 HB2 ARG 24 2HB ARG 24 -3.120 -12.971 6.531 173 HB3 ARG 24 3HB ARG 24 -4.773 -12.399 6.725 174 HG2 ARG 24 2HG ARG 24 -4.034 -15.030 5.389 175 HG3 ARG 24 3HG ARG 24 -4.494 -14.862 7.085 176 HD2 ARG 24 2HD ARG 24 -6.690 -13.965 6.417 177 HD3 ARG 24 3HD ARG 24 -6.244 -14.112 4.712 178 HE ARG 24 HE ARG 24 -6.042 -16.601 6.139 179 HH11 ARG 24 1HH1 ARG 24 -8.342 -14.524 4.442 180 HH12 ARG 24 2HH1 ARG 24 -9.467 -15.808 4.155 181 HH21 ARG 24 1HH2 ARG 24 -7.532 -18.260 5.742 182 HH22 ARG 24 2HH2 ARG 24 -9.003 -17.922 4.890 183 H ALA 25 H ALA 25 -1.887 -11.068 5.006 184 HA ALA 25 HA ALA 25 -2.799 -8.485 5.765 185 HB1 ALA 25 3HB ALA 25 -0.551 -9.326 6.308 186 HB2 ALA 25 1HB ALA 25 -0.451 -7.812 5.409 187 HB3 ALA 25 2HB ALA 25 -0.129 -9.347 4.594 188 H LEU 26 H LEU 26 -1.960 -9.991 2.718 189 HA LEU 26 HA LEU 26 -1.803 -7.719 1.040 190 HB2 LEU 26 2HB LEU 26 -0.927 -10.068 0.542 191 HB3 LEU 26 3HB LEU 26 -2.581 -10.556 0.239 192 HG LEU 26 HG LEU 26 -2.666 -8.885 -1.654 193 HD11 LEU 26 1HD1 LEU 26 -0.906 -7.361 -0.903 194 HD12 LEU 26 2HD1 LEU 26 -0.574 -7.959 -2.519 195 HD13 LEU 26 3HD1 LEU 26 0.312 -8.617 -1.145 196 HD21 LEU 26 3HD2 LEU 26 -0.511 -11.021 -1.876 197 HD22 LEU 26 1HD2 LEU 26 -1.339 -10.246 -3.231 198 HD23 LEU 26 2HD2 LEU 26 -2.243 -11.266 -2.114 199 H ALA 27 H ALA 27 -4.359 -10.098 1.632 200 HA ALA 27 HA ALA 27 -6.456 -9.044 0.148 201 HB1 ALA 27 3HB ALA 27 -6.623 -10.570 2.770 202 HB2 ALA 27 1HB ALA 27 -6.483 -11.290 1.163 203 HB3 ALA 27 2HB ALA 27 -7.932 -10.381 1.602 204 H LEU 28 H LEU 28 -5.625 -8.387 3.575 205 HA LEU 28 HA LEU 28 -7.743 -6.632 4.165 206 HB2 LEU 28 2HB LEU 28 -4.999 -6.981 5.403 207 HB3 LEU 28 3HB LEU 28 -6.116 -5.770 6.012 208 HG LEU 28 HG LEU 28 -6.682 -8.769 5.949 209 HD11 LEU 28 1HD1 LEU 28 -6.412 -8.702 8.396 210 HD12 LEU 28 2HD1 LEU 28 -5.933 -7.005 8.305 211 HD13 LEU 28 3HD1 LEU 28 -4.921 -8.250 7.571 212 HD21 LEU 28 3HD2 LEU 28 -8.642 -8.220 7.339 213 HD22 LEU 28 1HD2 LEU 28 -8.737 -7.434 5.765 214 HD23 LEU 28 2HD2 LEU 28 -8.282 -6.498 7.191 215 H PHE 29 H PHE 29 -4.472 -5.911 2.898 216 HA PHE 29 HA PHE 29 -4.769 -3.076 2.920 217 HB2 PHE 29 2HB PHE 29 -2.841 -4.901 1.451 218 HB3 PHE 29 3HB PHE 29 -2.800 -3.156 1.257 219 HD1 PHE 29 HD1 PHE 29 -3.121 -2.109 3.963 220 HD2 PHE 29 HD2 PHE 29 -0.902 -5.518 2.635 221 HE1 PHE 29 HE1 PHE 29 -1.591 -1.875 5.876 222 HE2 PHE 29 HE2 PHE 29 0.615 -5.282 4.559 223 HZ PHE 29 HZ PHE 29 0.269 -3.455 6.183 224 H GLU 30 H GLU 30 -5.119 -5.488 0.283 225 HA GLU 30 HA GLU 30 -5.830 -3.782 -1.832 226 HB2 GLU 30 2HB GLU 30 -6.593 -6.671 -1.268 227 HB3 GLU 30 3HB GLU 30 -6.957 -5.870 -2.790 228 HG2 GLU 30 2HG GLU 30 -4.547 -5.549 -3.206 229 HG3 GLU 30 3HG GLU 30 -4.170 -6.329 -1.670 230 H GLU 31 H GLU 31 -7.681 -5.122 0.786 231 HA GLU 31 HA GLU 31 -10.296 -4.414 -0.091 232 HB2 GLU 31 2HB GLU 31 -9.927 -6.205 1.499 233 HB3 GLU 31 3HB GLU 31 -9.106 -5.115 2.607 234 HG2 GLU 31 2HG GLU 31 -11.220 -3.954 3.063 235 HG3 GLU 31 3HG GLU 31 -12.056 -5.001 1.908 236 H LEU 32 H LEU 32 -7.951 -2.970 2.173 237 HA LEU 32 HA LEU 32 -9.409 -0.750 3.030 238 HB2 LEU 32 2HB LEU 32 -6.434 -1.213 2.709 239 HB3 LEU 32 3HB LEU 32 -7.055 0.294 3.366 240 HG LEU 32 HG LEU 32 -7.608 -2.436 4.589 241 HD11 LEU 32 1HD1 LEU 32 -5.554 -0.372 5.428 242 HD12 LEU 32 2HD1 LEU 32 -5.222 -1.961 4.737 243 HD13 LEU 32 3HD1 LEU 32 -5.977 -1.833 6.324 244 HD21 LEU 32 3HD2 LEU 32 -9.339 -0.767 5.078 245 HD22 LEU 32 1HD2 LEU 32 -8.109 0.369 5.646 246 HD23 LEU 32 2HD2 LEU 32 -8.399 -1.136 6.518 247 H VAL 33 H VAL 33 -7.439 -1.176 0.128 248 HA VAL 33 HA VAL 33 -7.625 1.434 -0.917 249 HB VAL 33 HB VAL 33 -7.292 -1.266 -2.301 250 HG11 VAL 33 1HG1 VAL 33 -6.511 -0.025 -4.319 251 HG12 VAL 33 2HG1 VAL 33 -6.997 1.494 -3.556 252 HG13 VAL 33 3HG1 VAL 33 -8.210 0.277 -3.957 253 HG21 VAL 33 3HG2 VAL 33 -5.448 -0.658 -0.797 254 HG22 VAL 33 1HG2 VAL 33 -5.248 0.886 -1.632 255 HG23 VAL 33 2HG2 VAL 33 -4.905 -0.629 -2.473 256 H GLU 34 H GLU 34 -9.600 -1.499 -1.636 257 HA GLU 34 HA GLU 34 -11.201 -0.210 -3.573 258 HB2 GLU 34 2HB GLU 34 -12.518 -2.233 -3.689 259 HB3 GLU 34 3HB GLU 34 -10.819 -2.661 -3.529 260 HG2 GLU 34 2HG GLU 34 -11.158 -3.148 -1.141 261 HG3 GLU 34 3HG GLU 34 -12.855 -2.701 -1.278 262 H THR 35 H THR 35 -11.683 -0.525 -0.060 263 HA THR 35 HA THR 35 -14.405 0.530 -0.247 264 HB THR 35 HB THR 35 -14.071 -1.288 1.366 265 HG1 THR 35 HG1 THR 35 -14.541 1.179 2.723 266 HG21 THR 35 3HG2 THR 35 -12.788 -0.989 3.453 267 HG22 THR 35 1HG2 THR 35 -12.212 0.583 2.894 268 HG23 THR 35 2HG2 THR 35 -11.722 -0.887 2.054 269 H ASP 36 H ASP 36 -11.166 1.569 0.739 270 HA ASP 36 HA ASP 36 -12.139 4.325 1.215 271 HB2 ASP 36 2HB ASP 36 -10.404 2.652 3.069 272 HB3 ASP 36 3HB ASP 36 -10.285 4.407 3.069 273 HA PRO 37 HA PRO 37 -8.716 4.022 -1.960 274 HB2 PRO 37 2HB PRO 37 -10.174 6.253 -3.280 275 HB3 PRO 37 3HB PRO 37 -9.703 4.681 -3.938 276 HG2 PRO 37 2HG PRO 37 -12.279 5.258 -3.390 277 HG3 PRO 37 3HG PRO 37 -11.628 3.623 -3.137 278 HD2 PRO 37 2HD PRO 37 -12.088 5.816 -1.106 279 HD3 PRO 37 3HD PRO 37 -12.504 4.088 -1.008 280 H ASP 38 H ASP 38 -9.804 6.468 0.082 281 HA ASP 38 HA ASP 38 -7.879 8.549 -0.633 282 HB2 ASP 38 2HB ASP 38 -8.919 9.864 1.140 283 HB3 ASP 38 3HB ASP 38 -10.187 9.110 0.183 284 H TYR 39 H TYR 39 -8.074 5.822 1.544 285 HA TYR 39 HA TYR 39 -6.214 6.627 3.523 286 HB2 TYR 39 2HB TYR 39 -7.914 4.570 3.451 287 HB3 TYR 39 3HB TYR 39 -6.552 3.700 2.765 288 HD1 TYR 39 HD2 TYR 39 -4.431 3.466 4.154 289 HD2 TYR 39 HD1 TYR 39 -8.027 5.024 5.835 290 HE1 TYR 39 HE2 TYR 39 -3.551 3.048 6.398 291 HE2 TYR 39 HE1 TYR 39 -7.141 4.610 8.089 292 HH TYR 39 HH TYR 39 -3.920 3.923 8.717 293 H VAL 40 H VAL 40 -4.408 7.517 2.535 294 HA VAL 40 HA VAL 40 -2.991 6.459 0.317 295 HB VAL 40 HB VAL 40 -1.998 8.439 2.424 296 HG11 VAL 40 1HG1 VAL 40 -0.482 9.246 0.624 297 HG12 VAL 40 2HG1 VAL 40 -1.009 7.918 -0.407 298 HG13 VAL 40 3HG1 VAL 40 -0.144 7.583 1.095 299 HG21 VAL 40 3HG2 VAL 40 -3.410 9.005 -0.216 300 HG22 VAL 40 1HG2 VAL 40 -2.771 10.220 0.898 301 HG23 VAL 40 2HG2 VAL 40 -4.113 9.189 1.392 302 H GLY 41 H GLY 41 -2.613 6.024 3.798 303 HA2 GLY 41 2HA GLY 41 0.029 5.057 3.948 304 HA3 GLY 41 3HA GLY 41 -1.244 4.740 5.115 305 H THR 42 H THR 42 -2.985 3.415 3.194 306 HA THR 42 HA THR 42 -2.118 0.749 3.319 307 HB THR 42 HB THR 42 -4.230 2.020 1.526 308 HG1 THR 42 HG1 THR 42 -5.573 1.623 3.163 309 HG21 THR 42 3HG2 THR 42 -5.155 -0.261 1.282 310 HG22 THR 42 1HG2 THR 42 -3.777 -0.916 2.170 311 HG23 THR 42 2HG2 THR 42 -3.533 -0.155 0.599 312 H TYR 43 H TYR 43 -2.066 3.087 0.601 313 HA TYR 43 HA TYR 43 -1.430 1.263 -1.428 314 HB2 TYR 43 2HB TYR 43 -1.015 4.265 -1.267 315 HB3 TYR 43 3HB TYR 43 -0.685 3.332 -2.728 316 HD1 TYR 43 HD1 TYR 43 -2.522 2.348 -4.041 317 HD2 TYR 43 HD2 TYR 43 -3.354 4.636 -0.524 318 HE1 TYR 43 HE1 TYR 43 -4.872 2.530 -4.711 319 HE2 TYR 43 HE2 TYR 43 -5.707 4.811 -1.207 320 HH TYR 43 HH TYR 43 -7.013 4.708 -3.270 321 H TYR 44 H TYR 44 0.784 3.409 0.429 322 HA TYR 44 HA TYR 44 3.184 2.615 -0.648 323 HB2 TYR 44 2HB TYR 44 2.853 4.423 1.081 324 HB3 TYR 44 3HB TYR 44 2.698 3.175 2.314 325 HD1 TYR 44 HD1 TYR 44 5.066 4.459 -0.298 326 HD2 TYR 44 HD2 TYR 44 4.684 2.384 3.420 327 HE1 TYR 44 HE1 TYR 44 7.506 4.458 -0.037 328 HE2 TYR 44 HE2 TYR 44 7.125 2.390 3.681 329 HH TYR 44 HH TYR 44 9.167 4.319 1.800 330 H HIS 45 H HIS 45 1.713 1.191 2.276 331 HA HIS 45 HA HIS 45 3.671 -0.808 2.666 332 HB2 HIS 45 2HB HIS 45 0.853 -0.549 3.797 333 HB3 HIS 45 3HB HIS 45 2.006 -1.766 4.341 334 HD1 HIS 45 HD1 HIS 45 3.018 -1.039 6.490 335 HD2 HIS 45 HD2 HIS 45 2.352 2.188 3.978 336 HE1 HIS 45 HE1 HIS 45 3.953 0.947 7.684 337 HE2 HIS 45 HE2 HIS 45 3.369 2.907 6.233 338 H LEU 46 H LEU 46 0.577 -0.954 0.997 339 HA LEU 46 HA LEU 46 0.446 -3.728 0.488 340 HB2 LEU 46 2HB LEU 46 -1.525 -2.296 0.247 341 HB3 LEU 46 3HB LEU 46 -0.743 -1.368 -1.020 342 HG LEU 46 HG LEU 46 -0.866 -3.274 -2.562 343 HD11 LEU 46 1HD1 LEU 46 -2.041 -5.352 -2.012 344 HD12 LEU 46 2HD1 LEU 46 -2.209 -4.832 -0.338 345 HD13 LEU 46 3HD1 LEU 46 -0.609 -5.143 -1.010 346 HD21 LEU 46 3HD2 LEU 46 -3.551 -2.730 -1.257 347 HD22 LEU 46 1HD2 LEU 46 -3.302 -3.398 -2.873 348 HD23 LEU 46 2HD2 LEU 46 -2.784 -1.754 -2.512 349 H GLY 47 H GLY 47 1.919 -1.001 -1.266 350 HA2 GLY 47 2HA GLY 47 2.715 -2.481 -3.587 351 HA3 GLY 47 3HA GLY 47 3.242 -0.875 -3.120 352 H LYS 48 H LYS 48 4.238 -1.648 -0.491 353 HA LYS 48 HA LYS 48 6.896 -2.460 -1.153 354 HB2 LYS 48 2HB LYS 48 5.638 -2.438 1.633 355 HB3 LYS 48 3HB LYS 48 7.358 -2.450 1.263 356 HG2 LYS 48 2HG LYS 48 5.427 -0.180 0.735 357 HG3 LYS 48 3HG LYS 48 6.608 -0.251 2.031 358 HD2 LYS 48 2HD LYS 48 7.332 -0.226 -0.925 359 HD3 LYS 48 3HD LYS 48 7.215 1.221 0.071 360 HE2 LYS 48 2HE LYS 48 9.525 0.698 -0.007 361 HE3 LYS 48 3HE LYS 48 8.995 0.150 1.581 362 HZ1 LYS 48 3HZ LYS 48 8.939 -2.099 0.764 363 HZ2 LYS 48 1HZ LYS 48 10.456 -1.430 0.454 364 HZ3 LYS 48 2HZ LYS 48 9.329 -1.591 -0.801 365 H LEU 49 H LEU 49 4.047 -4.067 0.136 366 HA LEU 49 HA LEU 49 5.206 -6.609 0.690 367 HB2 LEU 49 2HB LEU 49 3.057 -5.863 1.669 368 HB3 LEU 49 3HB LEU 49 2.318 -5.856 0.078 369 HG LEU 49 HG LEU 49 2.424 -8.285 -0.061 370 HD11 LEU 49 1HD1 LEU 49 3.299 -9.697 1.764 371 HD12 LEU 49 2HD1 LEU 49 3.921 -8.259 2.578 372 HD13 LEU 49 3HD1 LEU 49 4.561 -8.734 1.003 373 HD21 LEU 49 3HD2 LEU 49 0.497 -7.322 1.131 374 HD22 LEU 49 1HD2 LEU 49 1.365 -7.454 2.665 375 HD23 LEU 49 2HD2 LEU 49 0.915 -8.909 1.769 376 H TYR 50 H TYR 50 3.671 -5.168 -2.166 377 HA TYR 50 HA TYR 50 3.876 -7.410 -3.877 378 HB2 TYR 50 2HB TYR 50 3.762 -4.432 -4.439 379 HB3 TYR 50 3HB TYR 50 3.849 -5.623 -5.731 380 HD1 TYR 50 HD1 TYR 50 2.052 -7.752 -4.635 381 HD2 TYR 50 HD2 TYR 50 1.561 -3.510 -4.745 382 HE1 TYR 50 HE1 TYR 50 -0.372 -8.030 -4.702 383 HE2 TYR 50 HE2 TYR 50 -0.876 -3.808 -4.793 384 HH TYR 50 HH TYR 50 -2.506 -5.517 -5.457 385 H GLU 51 H GLU 51 6.233 -4.850 -3.052 386 HA GLU 51 HA GLU 51 8.261 -5.673 -4.869 387 HB2 GLU 51 2HB GLU 51 8.526 -4.132 -2.266 388 HB3 GLU 51 3HB GLU 51 9.872 -4.437 -3.358 389 HG2 GLU 51 2HG GLU 51 8.488 -3.219 -5.148 390 HG3 GLU 51 3HG GLU 51 7.435 -2.702 -3.831 391 H ARG 52 H ARG 52 7.223 -6.927 -1.800 392 HA ARG 52 HA ARG 52 9.542 -8.605 -1.318 393 HB2 ARG 52 2HB ARG 52 6.768 -8.564 -0.058 394 HB3 ARG 52 3HB ARG 52 8.088 -9.592 0.495 395 HG2 ARG 52 2HG ARG 52 9.398 -7.657 1.156 396 HG3 ARG 52 3HG ARG 52 8.209 -6.561 0.451 397 HD2 ARG 52 2HD ARG 52 7.991 -6.666 2.900 398 HD3 ARG 52 3HD ARG 52 6.539 -7.273 2.099 399 HE ARG 52 HE ARG 52 8.307 -9.412 2.670 400 HH11 ARG 52 1HH1 ARG 52 6.092 -7.244 4.348 401 HH12 ARG 52 2HH1 ARG 52 5.768 -8.381 5.614 402 HH21 ARG 52 1HH2 ARG 52 7.860 -10.874 4.326 403 HH22 ARG 52 2HH2 ARG 52 6.766 -10.439 5.600 404 H LEU 53 H LEU 53 6.285 -9.025 -2.658 405 HA LEU 53 HA LEU 53 6.559 -11.922 -2.938 406 HB2 LEU 53 2HB LEU 53 4.280 -10.015 -3.577 407 HB3 LEU 53 3HB LEU 53 4.179 -11.762 -3.736 408 HG LEU 53 HG LEU 53 4.598 -10.253 -1.122 409 HD11 LEU 53 1HD1 LEU 53 2.334 -9.925 -1.984 410 HD12 LEU 53 2HD1 LEU 53 2.318 -10.939 -0.544 411 HD13 LEU 53 3HD1 LEU 53 2.117 -11.672 -2.138 412 HD21 LEU 53 3HD2 LEU 53 4.198 -13.238 -1.562 413 HD22 LEU 53 1HD2 LEU 53 4.297 -12.415 -0.003 414 HD23 LEU 53 2HD2 LEU 53 5.700 -12.452 -1.063 415 H ASP 54 H ASP 54 8.053 -9.811 -4.696 416 HA ASP 54 HA ASP 54 8.751 -9.474 -6.823 417 HB2 ASP 54 2HB ASP 54 7.774 -12.321 -7.255 418 HB3 ASP 54 3HB ASP 54 8.872 -11.457 -8.327 419 H ARG 55 H ARG 55 5.879 -8.952 -6.155 420 HA ARG 55 HA ARG 55 4.511 -9.034 -8.749 421 HB2 ARG 55 2HB ARG 55 3.572 -8.035 -6.018 422 HB3 ARG 55 3HB ARG 55 2.563 -8.176 -7.449 423 HG2 ARG 55 2HG ARG 55 3.823 -10.485 -5.932 424 HG3 ARG 55 3HG ARG 55 2.135 -9.972 -5.838 425 HD2 ARG 55 2HD ARG 55 3.566 -11.113 -8.249 426 HD3 ARG 55 3HD ARG 55 2.294 -11.891 -7.304 427 HE ARG 55 HE ARG 55 1.561 -9.373 -8.549 428 HH11 ARG 55 1HH1 ARG 55 1.507 -12.867 -8.880 429 HH12 ARG 55 2HH1 ARG 55 0.332 -12.838 -10.153 430 HH21 ARG 55 1HH2 ARG 55 0.078 -9.353 -10.249 431 HH22 ARG 55 2HH2 ARG 55 -0.466 -10.850 -10.939 432 H THR 56 H THR 56 6.697 -7.491 -9.010 433 HA THR 56 HA THR 56 6.748 -4.864 -8.057 434 HB THR 56 HB THR 56 7.869 -5.854 -10.715 435 HG1 THR 56 HG1 THR 56 9.336 -6.880 -9.608 436 HG21 THR 56 3HG2 THR 56 7.960 -3.398 -10.471 437 HG22 THR 56 1HG2 THR 56 9.575 -4.108 -10.398 438 HG23 THR 56 2HG2 THR 56 8.777 -3.576 -8.918 439 H ASP 57 H ASP 57 5.256 -6.205 -10.974 440 HA ASP 57 HA ASP 57 4.609 -3.797 -12.299 441 HB2 ASP 57 2HB ASP 57 4.586 -6.081 -13.328 442 HB3 ASP 57 3HB ASP 57 3.145 -6.472 -12.396 443 H ASP 58 H ASP 58 2.857 -5.781 -9.979 444 HA ASP 58 HA ASP 58 0.428 -4.296 -9.856 445 HB2 ASP 58 2HB ASP 58 1.649 -6.094 -7.705 446 HB3 ASP 58 3HB ASP 58 -0.048 -5.632 -7.838 447 H ALA 59 H ALA 59 3.498 -4.176 -8.117 448 HA ALA 59 HA ALA 59 2.885 -2.403 -6.034 449 HB1 ALA 59 3HB ALA 59 5.000 -3.696 -6.116 450 HB2 ALA 59 1HB ALA 59 5.296 -1.977 -5.855 451 HB3 ALA 59 2HB ALA 59 5.567 -2.688 -7.447 452 H ILE 60 H ILE 60 4.188 -1.717 -9.294 453 HA ILE 60 HA ILE 60 4.521 1.067 -9.040 454 HB ILE 60 HB ILE 60 3.809 -0.318 -11.675 455 HG12 ILE 60 2HG1 ILE 60 5.624 -1.616 -10.665 456 HG13 ILE 60 3HG1 ILE 60 6.254 -0.696 -12.021 457 HG21 ILE 60 1HG2 ILE 60 5.485 2.165 -11.118 458 HG22 ILE 60 2HG2 ILE 60 3.854 2.133 -11.788 459 HG23 ILE 60 3HG2 ILE 60 5.192 1.454 -12.709 460 HD11 ILE 60 3HD1 ILE 60 7.794 -0.697 -10.173 461 HD12 ILE 60 1HD1 ILE 60 6.572 -0.016 -9.101 462 HD13 ILE 60 2HD1 ILE 60 7.196 0.935 -10.454 463 H ASP 61 H ASP 61 1.777 -0.869 -10.090 464 HA ASP 61 HA ASP 61 0.038 1.213 -10.942 465 HB2 ASP 61 2HB ASP 61 -0.206 -1.158 -11.657 466 HB3 ASP 61 3HB ASP 61 -0.578 -1.629 -10.002 467 H THR 62 H THR 62 0.463 -0.490 -7.868 468 HA THR 62 HA THR 62 -1.689 0.663 -6.414 469 HB THR 62 HB THR 62 0.916 -0.594 -5.427 470 HG1 THR 62 HG1 THR 62 -0.047 -2.324 -6.124 471 HG21 THR 62 3HG2 THR 62 -1.662 -0.070 -3.899 472 HG22 THR 62 1HG2 THR 62 -0.102 0.706 -3.611 473 HG23 THR 62 2HG2 THR 62 -0.299 -1.017 -3.300 474 H TYR 63 H TYR 63 1.742 1.512 -6.703 475 HA TYR 63 HA TYR 63 1.753 3.712 -4.908 476 HB2 TYR 63 2HB TYR 63 3.611 3.083 -7.236 477 HB3 TYR 63 3HB TYR 63 3.902 4.354 -6.051 478 HD1 TYR 63 HD1 TYR 63 3.225 2.971 -3.484 479 HD2 TYR 63 HD2 TYR 63 5.365 1.555 -6.898 480 HE1 TYR 63 HE1 TYR 63 4.498 1.424 -2.060 481 HE2 TYR 63 HE2 TYR 63 6.623 0.012 -5.477 482 HH TYR 63 HH TYR 63 7.278 -0.212 -3.170 483 H ALA 64 H ALA 64 1.318 3.445 -8.433 484 HA ALA 64 HA ALA 64 1.112 6.131 -9.145 485 HB1 ALA 64 3HB ALA 64 1.341 4.306 -10.787 486 HB2 ALA 64 1HB ALA 64 -0.042 5.337 -11.172 487 HB3 ALA 64 2HB ALA 64 -0.296 3.759 -10.418 488 H GLN 65 H GLN 65 -1.554 3.849 -8.414 489 HA GLN 65 HA GLN 65 -3.722 5.636 -8.410 490 HB2 GLN 65 2HB GLN 65 -3.405 2.902 -8.013 491 HB3 GLN 65 3HB GLN 65 -3.838 3.408 -6.396 492 HG2 GLN 65 2HG GLN 65 -5.576 4.233 -8.719 493 HG3 GLN 65 3HG GLN 65 -5.662 2.587 -8.121 494 HE21 GLN 65 1HE2 GLN 65 -5.377 5.590 -6.196 495 HE22 GLN 65 2HE2 GLN 65 -6.861 5.380 -5.365 496 H GLY 66 H GLY 66 -1.456 4.680 -5.908 497 HA2 GLY 66 2HA GLY 66 -2.392 6.095 -3.701 498 HA3 GLY 66 3HA GLY 66 -0.723 5.631 -3.985 499 H ILE 67 H ILE 67 -0.202 7.170 -6.309 500 HA ILE 67 HA ILE 67 0.699 9.595 -5.221 501 HB ILE 67 HB ILE 67 0.411 8.572 -8.071 502 HG12 ILE 67 2HG1 ILE 67 2.903 9.208 -6.423 503 HG13 ILE 67 3HG1 ILE 67 2.198 7.609 -6.610 504 HG21 ILE 67 1HG2 ILE 67 1.597 11.283 -7.390 505 HG22 ILE 67 2HG2 ILE 67 0.115 10.996 -8.297 506 HG23 ILE 67 3HG2 ILE 67 1.667 10.502 -8.973 507 HD11 ILE 67 3HD1 ILE 67 2.659 7.678 -9.000 508 HD12 ILE 67 1HD1 ILE 67 4.117 7.893 -8.035 509 HD13 ILE 67 2HD1 ILE 67 3.372 9.285 -8.818 510 H GLU 68 H GLU 68 -2.128 8.790 -7.128 511 HA GLU 68 HA GLU 68 -3.122 11.350 -7.755 512 HB2 GLU 68 2HB GLU 68 -4.744 8.799 -7.308 513 HB3 GLU 68 3HB GLU 68 -5.197 10.177 -8.315 514 HG2 GLU 68 2HG GLU 68 -2.852 8.323 -8.833 515 HG3 GLU 68 3HG GLU 68 -4.425 8.191 -9.596 516 H VAL 69 H VAL 69 -3.830 9.100 -5.118 517 HA VAL 69 HA VAL 69 -5.704 10.918 -3.820 518 HB VAL 69 HB VAL 69 -6.144 9.157 -2.218 519 HG11 VAL 69 1HG1 VAL 69 -5.836 7.988 -5.016 520 HG12 VAL 69 2HG1 VAL 69 -7.212 8.917 -4.416 521 HG13 VAL 69 3HG1 VAL 69 -6.863 7.327 -3.740 522 HG21 VAL 69 3HG2 VAL 69 -4.912 7.019 -2.156 523 HG22 VAL 69 1HG2 VAL 69 -3.842 8.370 -1.776 524 HG23 VAL 69 2HG2 VAL 69 -3.779 7.615 -3.372 525 H ALA 70 H ALA 70 -2.333 10.292 -3.640 526 HA ALA 70 HA ALA 70 -1.847 11.120 -0.927 527 HB1 ALA 70 3HB ALA 70 0.092 10.928 -3.251 528 HB2 ALA 70 1HB ALA 70 -0.286 9.632 -2.115 529 HB3 ALA 70 2HB ALA 70 0.526 11.091 -1.545 530 H ARG 71 H ARG 71 -1.580 12.672 -4.124 531 HA ARG 71 HA ARG 71 -0.677 15.181 -3.118 532 HB2 ARG 71 2HB ARG 71 -0.951 16.019 -5.390 533 HB3 ARG 71 3HB ARG 71 -0.197 14.432 -5.418 534 HG2 ARG 71 2HG ARG 71 -2.553 13.509 -5.902 535 HG3 ARG 71 3HG ARG 71 -3.013 15.182 -6.220 536 HD2 ARG 71 2HD ARG 71 -0.900 13.564 -7.684 537 HD3 ARG 71 3HD ARG 71 -2.476 14.060 -8.308 538 HE ARG 71 HE ARG 71 -0.878 16.305 -7.516 539 HH11 ARG 71 1HH1 ARG 71 -1.399 14.045 -10.158 540 HH12 ARG 71 2HH1 ARG 71 -0.662 15.081 -11.334 541 HH21 ARG 71 1HH2 ARG 71 0.108 17.625 -9.070 542 HH22 ARG 71 2HH2 ARG 71 0.184 17.105 -10.725 543 H GLU 72 H GLU 72 -3.881 13.821 -3.721 544 HA GLU 72 HA GLU 72 -5.236 16.395 -3.454 545 HB2 GLU 72 2HB GLU 72 -6.372 13.582 -3.739 546 HB3 GLU 72 3HB GLU 72 -7.304 15.075 -3.813 547 HG2 GLU 72 2HG GLU 72 -5.158 14.215 -5.775 548 HG3 GLU 72 3HG GLU 72 -6.895 14.135 -6.043 549 H GLU 73 H GLU 73 -5.310 13.265 -1.710 550 HA GLU 73 HA GLU 73 -6.862 14.437 0.483 551 HB2 GLU 73 2HB GLU 73 -6.125 11.518 -0.008 552 HB3 GLU 73 3HB GLU 73 -7.323 12.119 1.138 553 HG2 GLU 73 2HG GLU 73 -7.490 12.261 -1.891 554 HG3 GLU 73 3HG GLU 73 -8.398 11.176 -0.844 555 H GLY 74 H GLY 74 -3.712 12.832 -0.071 556 HA2 GLY 74 2HA GLY 74 -3.053 12.805 2.781 557 HA3 GLY 74 3HA GLY 74 -2.090 12.164 1.457 558 H THR 75 H THR 75 -0.398 13.297 2.816 559 HA THR 75 HA THR 75 -0.211 16.190 2.447 560 HB THR 75 HB THR 75 1.885 16.010 3.781 561 HG1 THR 75 HG1 THR 75 1.292 13.249 4.116 562 HG21 THR 75 3HG2 THR 75 -0.442 14.542 5.073 563 HG22 THR 75 1HG2 THR 75 -0.241 16.298 5.007 564 HG23 THR 75 2HG2 THR 75 0.899 15.311 5.922 565 H GLN 76 H GLN 76 2.005 17.028 1.759 566 HA GLN 76 HA GLN 76 2.657 16.186 -0.880 567 HB2 GLN 76 2HB GLN 76 2.881 18.541 0.091 568 HB3 GLN 76 3HB GLN 76 4.308 17.974 0.945 569 HG2 GLN 76 2HG GLN 76 5.220 19.016 -0.922 570 HG3 GLN 76 3HG GLN 76 5.211 17.330 -1.415 571 HE21 GLN 76 1HE2 GLN 76 2.185 17.539 -1.961 572 HE22 GLN 76 2HE2 GLN 76 2.106 18.364 -3.460 573 H LYS 77 H LYS 77 3.982 15.475 2.293 574 HA LYS 77 HA LYS 77 6.352 14.131 1.614 575 HB2 LYS 77 2HB LYS 77 5.857 14.663 3.939 576 HB3 LYS 77 3HB LYS 77 4.388 13.691 3.901 577 HG2 LYS 77 2HG LYS 77 5.826 11.642 3.575 578 HG3 LYS 77 3HG LYS 77 7.249 12.669 3.790 579 HD2 LYS 77 2HD LYS 77 6.513 13.238 6.074 580 HD3 LYS 77 3HD LYS 77 5.043 12.287 5.854 581 HE2 LYS 77 2HE LYS 77 6.713 11.048 7.169 582 HE3 LYS 77 3HE LYS 77 6.391 10.237 5.634 583 HZ1 LYS 77 3HZ LYS 77 8.752 10.316 6.139 584 HZ2 LYS 77 1HZ LYS 77 8.706 12.005 6.194 585 HZ3 LYS 77 2HZ LYS 77 8.420 11.200 4.738 586 H ASP 78 H ASP 78 3.018 12.954 1.985 587 HA ASP 78 HA ASP 78 3.458 10.193 1.549 588 HB2 ASP 78 2HB ASP 78 0.954 11.884 1.147 589 HB3 ASP 78 3HB ASP 78 0.965 10.130 1.018 590 H LEU 79 H LEU 79 2.578 12.822 -0.628 591 HA LEU 79 HA LEU 79 2.360 11.452 -3.054 592 HB2 LEU 79 2HB LEU 79 1.665 13.774 -2.817 593 HB3 LEU 79 3HB LEU 79 3.309 14.276 -2.450 594 HG LEU 79 HG LEU 79 3.985 13.754 -4.796 595 HD11 LEU 79 1HD1 LEU 79 1.056 13.113 -5.248 596 HD12 LEU 79 2HD1 LEU 79 2.405 11.974 -5.320 597 HD13 LEU 79 3HD1 LEU 79 2.284 13.269 -6.508 598 HD21 LEU 79 3HD2 LEU 79 2.842 15.654 -5.870 599 HD22 LEU 79 1HD2 LEU 79 3.275 16.043 -4.206 600 HD23 LEU 79 2HD2 LEU 79 1.605 15.642 -4.611 601 H SER 80 H SER 80 5.209 12.954 -1.549 602 HA SER 80 HA SER 80 7.073 12.466 -3.600 603 HB2 SER 80 2HB SER 80 7.365 14.147 -1.781 604 HB3 SER 80 3HB SER 80 7.567 12.843 -0.614 605 HG SER 80 HG SER 80 9.602 13.472 -1.187 606 H GLU 81 H GLU 81 6.065 10.485 -0.832 607 HA GLU 81 HA GLU 81 8.240 8.630 -0.953 608 HB2 GLU 81 2HB GLU 81 5.544 8.393 0.441 609 HB3 GLU 81 3HB GLU 81 6.896 7.287 0.671 610 HG2 GLU 81 2HG GLU 81 6.811 10.225 1.408 611 HG3 GLU 81 3HG GLU 81 6.768 8.858 2.516 612 H LEU 82 H LEU 82 4.922 8.618 -2.210 613 HA LEU 82 HA LEU 82 5.024 5.898 -3.146 614 HB2 LEU 82 2HB LEU 82 3.099 8.174 -3.702 615 HB3 LEU 82 3HB LEU 82 2.869 6.542 -4.326 616 HG LEU 82 HG LEU 82 3.091 7.187 -1.350 617 HD11 LEU 82 1HD1 LEU 82 1.067 8.213 -2.244 618 HD12 LEU 82 2HD1 LEU 82 0.689 6.852 -1.192 619 HD13 LEU 82 3HD1 LEU 82 0.582 6.668 -2.944 620 HD21 LEU 82 3HD2 LEU 82 2.229 4.916 -1.030 621 HD22 LEU 82 1HD2 LEU 82 3.754 4.897 -1.909 622 HD23 LEU 82 2HD2 LEU 82 2.234 4.645 -2.772 623 H GLN 83 H GLN 83 5.686 9.032 -4.605 624 HA GLN 83 HA GLN 83 6.140 8.144 -7.280 625 HB2 GLN 83 2HB GLN 83 7.304 10.522 -5.768 626 HB3 GLN 83 3HB GLN 83 7.453 10.273 -7.506 627 HG2 GLN 83 2HG GLN 83 5.010 10.444 -7.749 628 HG3 GLN 83 3HG GLN 83 4.845 10.654 -6.010 629 HE21 GLN 83 1HE2 GLN 83 7.177 12.415 -5.789 630 HE22 GLN 83 2HE2 GLN 83 6.698 13.924 -6.457 631 H ASP 84 H ASP 84 8.216 8.543 -4.440 632 HA ASP 84 HA ASP 84 10.696 7.806 -5.562 633 HB2 ASP 84 2HB ASP 84 10.542 8.938 -3.372 634 HB3 ASP 84 3HB ASP 84 9.683 7.565 -2.690 635 H ALA 85 H ALA 85 8.147 5.902 -3.988 636 HA ALA 85 HA ALA 85 9.593 3.485 -3.785 637 HB1 ALA 85 3HB ALA 85 7.739 4.072 -2.284 638 HB2 ALA 85 1HB ALA 85 7.456 2.523 -3.078 639 HB3 ALA 85 2HB ALA 85 6.604 3.968 -3.633 640 H LYS 86 H LYS 86 7.195 4.671 -6.183 641 HA LYS 86 HA LYS 86 7.192 2.289 -7.703 642 HB2 LYS 86 2HB LYS 86 6.082 3.460 -9.477 643 HB3 LYS 86 3HB LYS 86 5.416 4.002 -7.949 644 HG2 LYS 86 2HG LYS 86 6.638 6.101 -8.108 645 HG3 LYS 86 3HG LYS 86 7.445 5.556 -9.582 646 HD2 LYS 86 2HD LYS 86 4.449 6.015 -9.254 647 HD3 LYS 86 3HD LYS 86 5.572 7.113 -10.057 648 HE2 LYS 86 2HE LYS 86 4.957 4.283 -10.956 649 HE3 LYS 86 3HE LYS 86 4.287 5.751 -11.655 650 HZ1 LYS 86 3HZ LYS 86 6.135 4.924 -12.945 651 HZ2 LYS 86 1HZ LYS 86 7.167 5.034 -11.613 652 HZ3 LYS 86 2HZ LYS 86 6.503 6.431 -12.287 653 H LEU 87 H LEU 87 9.289 5.201 -7.970 654 HA LEU 87 HA LEU 87 10.359 4.417 -10.500 655 HB2 LEU 87 2HB LEU 87 11.996 6.234 -10.265 656 HB3 LEU 87 3HB LEU 87 10.353 6.743 -9.965 657 HG LEU 87 HG LEU 87 10.982 6.580 -7.431 658 HD11 LEU 87 1HD1 LEU 87 13.128 5.440 -7.591 659 HD12 LEU 87 2HD1 LEU 87 13.329 7.033 -6.871 660 HD13 LEU 87 3HD1 LEU 87 13.790 6.764 -8.555 661 HD21 LEU 87 3HD2 LEU 87 10.479 8.681 -8.562 662 HD22 LEU 87 1HD2 LEU 87 12.140 8.794 -9.155 663 HD23 LEU 87 2HD2 LEU 87 11.804 8.897 -7.424 664 H LYS 88 H LYS 88 11.463 3.847 -7.183 665 HA LYS 88 HA LYS 88 13.907 2.544 -7.891 666 HB2 LYS 88 2HB LYS 88 13.912 1.664 -5.569 667 HB3 LYS 88 3HB LYS 88 13.584 3.391 -5.621 668 HG2 LYS 88 2HG LYS 88 11.179 2.932 -5.300 669 HG3 LYS 88 3HG LYS 88 11.522 1.203 -5.231 670 HD2 LYS 88 2HD LYS 88 12.645 3.248 -3.285 671 HD3 LYS 88 3HD LYS 88 11.207 2.287 -3.006 672 HE2 LYS 88 2HE LYS 88 13.941 1.095 -3.491 673 HE3 LYS 88 3HE LYS 88 13.245 1.378 -1.893 674 HZ1 LYS 88 3HZ LYS 88 12.880 -0.883 -2.591 675 HZ2 LYS 88 1HZ LYS 88 12.093 -0.373 -3.998 676 HZ3 LYS 88 2HZ LYS 88 11.398 -0.080 -2.487 677 H ALA 89 H ALA 89 10.594 1.346 -7.245 678 HA ALA 89 HA ALA 89 11.147 -1.390 -7.576 679 HB1 ALA 89 3HB ALA 89 9.135 -0.583 -6.439 680 HB2 ALA 89 1HB ALA 89 8.694 -1.645 -7.775 681 HB3 ALA 89 2HB ALA 89 8.529 0.104 -7.944 682 H GLU 90 H GLU 90 10.357 1.142 -9.946 683 HA GLU 90 HA GLU 90 10.055 -0.519 -12.221 684 HB2 GLU 90 2HB GLU 90 10.960 2.383 -12.031 685 HB3 GLU 90 3HB GLU 90 10.678 1.549 -13.560 686 HG2 GLU 90 2HG GLU 90 8.317 1.151 -12.855 687 HG3 GLU 90 3HG GLU 90 8.615 2.116 -11.414 688 H GLY 91 H GLY 91 12.839 0.758 -10.553 689 HA2 GLY 91 2HA GLY 91 14.907 0.145 -12.360 690 HA3 GLY 91 3HA GLY 91 15.062 0.282 -10.617 691 H LEU 92 H LEU 92 12.933 -1.967 -10.455 692 HA LEU 92 HA LEU 92 14.762 -4.182 -10.255 693 HB2 LEU 92 2HB LEU 92 11.731 -4.127 -9.969 694 HB3 LEU 92 3HB LEU 92 12.767 -5.476 -9.525 695 HG LEU 92 HG LEU 92 12.701 -2.737 -8.203 696 HD11 LEU 92 1HD1 LEU 92 11.883 -3.925 -6.217 697 HD12 LEU 92 2HD1 LEU 92 11.859 -5.442 -7.120 698 HD13 LEU 92 3HD1 LEU 92 10.788 -4.119 -7.586 699 HD21 LEU 92 3HD2 LEU 92 15.000 -3.524 -8.224 700 HD22 LEU 92 1HD2 LEU 92 14.515 -5.099 -7.582 701 HD23 LEU 92 2HD2 LEU 92 14.347 -3.643 -6.596 702 H GLU 93 H GLU 93 11.805 -3.629 -12.260 703 HA GLU 93 HA GLU 93 12.847 -5.272 -14.444 704 HB2 GLU 93 2HB GLU 93 11.008 -6.916 -14.383 705 HB3 GLU 93 3HB GLU 93 11.966 -6.991 -12.907 706 HG2 GLU 93 2HG GLU 93 10.289 -5.800 -11.657 707 HG3 GLU 93 3HG GLU 93 9.370 -5.453 -13.118 708 H HIS 94 H HIS 94 10.522 -2.985 -13.203 709 HA HIS 94 HA HIS 94 8.742 -3.084 -15.488 710 HB2 HIS 94 2HB HIS 94 7.946 -2.562 -13.144 711 HB3 HIS 94 3HB HIS 94 8.781 -1.018 -13.249 712 HD1 HIS 94 HD1 HIS 94 7.570 0.877 -14.420 713 HD2 HIS 94 HD2 HIS 94 5.702 -2.793 -14.981 714 HE1 HIS 94 HE1 HIS 94 5.391 1.405 -15.537 715 HE2 HIS 94 HE2 HIS 94 4.240 -0.819 -15.789 716 H HIS 95 H HIS 95 11.770 -1.974 -15.294 717 HA HIS 95 HA HIS 95 13.117 -0.803 -16.637 718 HB2 HIS 95 2HB HIS 95 10.745 -0.202 -18.458 719 HB3 HIS 95 3HB HIS 95 12.451 -0.237 -18.900 720 HD1 HIS 95 HD1 HIS 95 9.528 -2.163 -19.257 721 HD2 HIS 95 HD2 HIS 95 13.475 -3.125 -18.399 722 HE1 HIS 95 HE1 HIS 95 9.777 -4.580 -19.864 723 HE2 HIS 95 HE2 HIS 95 12.135 -5.174 -19.225 724 H HIS 96 H HIS 96 13.487 0.770 -15.074 725 HA HIS 96 HA HIS 96 11.815 2.993 -14.588 726 HB2 HIS 96 2HB HIS 96 13.453 2.265 -12.907 727 HB3 HIS 96 3HB HIS 96 14.786 2.665 -13.987 728 HD1 HIS 96 HD1 HIS 96 15.832 4.834 -13.406 729 HD2 HIS 96 HD2 HIS 96 11.787 4.815 -12.473 730 HE1 HIS 96 HE1 HIS 96 15.374 7.071 -12.389 731 HE2 HIS 96 HE2 HIS 96 12.890 7.104 -11.993 732 H HIS 97 H HIS 97 11.287 4.137 -16.382 733 HA HIS 97 HA HIS 97 13.164 5.389 -18.133 734 HB2 HIS 97 2HB HIS 97 11.308 6.851 -18.793 735 HB3 HIS 97 3HB HIS 97 10.734 5.194 -18.675 736 HD1 HIS 97 HD1 HIS 97 9.989 8.566 -17.546 737 HD2 HIS 97 HD2 HIS 97 9.198 4.720 -16.184 738 HE1 HIS 97 HE1 HIS 97 8.130 8.809 -15.886 739 HE2 HIS 97 HE2 HIS 97 7.777 6.498 -14.970 740 H HIS 98 H HIS 98 14.007 7.541 -17.978 741 HA HIS 98 HA HIS 98 14.954 8.228 -15.403 742 HB2 HIS 98 2HB HIS 98 15.103 9.825 -17.994 743 HB3 HIS 98 3HB HIS 98 16.041 10.165 -16.546 744 HD1 HIS 98 HD1 HIS 98 18.217 8.967 -16.307 745 HD2 HIS 98 HD2 HIS 98 15.840 7.280 -19.263 746 HE1 HIS 98 HE1 HIS 98 19.685 7.317 -17.490 747 HE2 HIS 98 HE2 HIS 98 18.130 6.108 -19.047 748 H HIS 99 H HIS 99 13.577 10.789 -17.429 749 HA HIS 99 HA HIS 99 11.173 11.292 -16.227 750 HB2 HIS 99 2HB HIS 99 11.730 13.431 -14.860 751 HB3 HIS 99 3HB HIS 99 12.050 11.888 -14.094 752 HD1 HIS 99 HD1 HIS 99 14.287 11.626 -13.066 753 HD2 HIS 99 HD2 HIS 99 14.244 14.734 -15.822 754 HE1 HIS 99 HE1 HIS 99 16.479 12.811 -12.777 755 HE2 HIS 99 HE2 HIS 99 16.356 14.778 -14.340 Start of MODEL 3 1 H1 GLU 1 1H GLU 1 -13.249 1.943 15.453 2 H2 GLU 1 2H GLU 1 -14.046 3.173 16.292 3 H3 GLU 1 3H GLU 1 -14.911 1.835 15.731 4 HA GLU 1 HA GLU 1 -12.750 1.719 17.736 5 HB2 GLU 1 2HB GLU 1 -14.567 1.370 19.413 6 HB3 GLU 1 3HB GLU 1 -14.634 2.962 18.667 7 HG2 GLU 1 2HG GLU 1 -16.472 2.216 17.213 8 HG3 GLU 1 3HG GLU 1 -16.390 0.602 17.922 9 H ASP 2 H ASP 2 -13.863 0.142 15.251 10 HA ASP 2 HA ASP 2 -13.949 -2.563 16.453 11 HB2 ASP 2 2HB ASP 2 -15.257 -1.489 13.904 12 HB3 ASP 2 3HB ASP 2 -15.260 -3.189 14.369 13 HA PRO 3 HA PRO 3 -10.435 -3.758 13.790 14 HB2 PRO 3 2HB PRO 3 -11.314 -6.194 12.787 15 HB3 PRO 3 3HB PRO 3 -10.629 -5.981 14.405 16 HG2 PRO 3 2HG PRO 3 -13.536 -6.043 13.577 17 HG3 PRO 3 3HG PRO 3 -12.744 -6.901 14.918 18 HD2 PRO 3 2HD PRO 3 -14.128 -4.670 15.386 19 HD3 PRO 3 3HD PRO 3 -12.583 -4.950 16.231 20 H GLU 4 H GLU 4 -13.656 -3.368 12.646 21 HA GLU 4 HA GLU 4 -13.138 -3.758 9.848 22 HB2 GLU 4 2HB GLU 4 -15.593 -2.649 11.260 23 HB3 GLU 4 3HB GLU 4 -15.513 -3.175 9.578 24 HG2 GLU 4 2HG GLU 4 -15.292 -4.892 12.073 25 HG3 GLU 4 3HG GLU 4 -16.565 -4.920 10.854 26 H ASP 5 H ASP 5 -12.759 -1.116 11.988 27 HA ASP 5 HA ASP 5 -13.047 1.072 10.202 28 HB2 ASP 5 2HB ASP 5 -11.248 0.694 12.642 29 HB3 ASP 5 3HB ASP 5 -11.417 2.224 11.788 30 HA PRO 6 HA PRO 6 -9.803 0.160 7.220 31 HB2 PRO 6 2HB PRO 6 -9.109 2.852 6.598 32 HB3 PRO 6 3HB PRO 6 -10.326 1.865 5.781 33 HG2 PRO 6 2HG PRO 6 -10.674 3.910 7.946 34 HG3 PRO 6 3HG PRO 6 -11.736 3.534 6.572 35 HD2 PRO 6 2HD PRO 6 -12.341 2.724 9.058 36 HD3 PRO 6 3HD PRO 6 -12.692 1.690 7.659 37 H PHE 7 H PHE 7 -9.054 2.729 9.611 38 HA PHE 7 HA PHE 7 -6.261 2.528 9.558 39 HB2 PHE 7 2HB PHE 7 -7.595 4.376 10.620 40 HB3 PHE 7 3HB PHE 7 -7.974 3.294 11.952 41 HD1 PHE 7 HD1 PHE 7 -5.230 5.126 10.247 42 HD2 PHE 7 HD2 PHE 7 -6.352 2.916 13.736 43 HE1 PHE 7 HE1 PHE 7 -3.151 5.819 11.362 44 HE2 PHE 7 HE2 PHE 7 -4.270 3.623 14.837 45 HZ PHE 7 HZ PHE 7 -2.668 5.070 13.653 46 H THR 8 H THR 8 -8.637 0.745 11.478 47 HA THR 8 HA THR 8 -6.808 -0.400 13.324 48 HB THR 8 HB THR 8 -9.590 -1.444 12.651 49 HG1 THR 8 HG1 THR 8 -10.332 0.056 14.165 50 HG21 THR 8 3HG2 THR 8 -9.606 -2.154 15.029 51 HG22 THR 8 1HG2 THR 8 -7.961 -1.543 15.230 52 HG23 THR 8 2HG2 THR 8 -8.271 -2.909 14.157 53 H ARG 9 H ARG 9 -8.456 -1.717 10.438 54 HA ARG 9 HA ARG 9 -7.201 -4.312 10.606 55 HB2 ARG 9 2HB ARG 9 -8.322 -4.764 8.434 56 HB3 ARG 9 3HB ARG 9 -9.406 -4.209 9.704 57 HG2 ARG 9 2HG ARG 9 -9.038 -1.846 8.607 58 HG3 ARG 9 3HG ARG 9 -8.528 -2.792 7.207 59 HD2 ARG 9 2HD ARG 9 -11.225 -2.927 8.605 60 HD3 ARG 9 3HD ARG 9 -10.879 -2.226 7.023 61 HE ARG 9 HE ARG 9 -10.597 -4.391 6.124 62 HH11 ARG 9 1HH1 ARG 9 -11.545 -4.612 9.504 63 HH12 ARG 9 2HH1 ARG 9 -12.235 -6.191 9.332 64 HH21 ARG 9 1HH2 ARG 9 -11.469 -6.466 5.919 65 HH22 ARG 9 2HH2 ARG 9 -12.153 -7.262 7.303 66 H TYR 10 H TYR 10 -6.451 -1.313 8.942 67 HA TYR 10 HA TYR 10 -4.270 -2.142 7.371 68 HB2 TYR 10 2HB TYR 10 -4.964 0.127 7.165 69 HB3 TYR 10 3HB TYR 10 -4.883 0.410 8.894 70 HD1 TYR 10 HD2 TYR 10 -2.695 -0.207 5.895 71 HD2 TYR 10 HD1 TYR 10 -2.961 1.434 9.833 72 HE1 TYR 10 HE2 TYR 10 -0.477 0.822 5.629 73 HE2 TYR 10 HE1 TYR 10 -0.750 2.460 9.559 74 HH TYR 10 HH TYR 10 1.251 2.202 8.254 75 H ALA 11 H ALA 11 -4.341 -1.108 10.777 76 HA ALA 11 HA ALA 11 -1.642 -1.611 11.420 77 HB1 ALA 11 3HB ALA 11 -4.069 -1.596 13.251 78 HB2 ALA 11 1HB ALA 11 -3.118 -0.184 12.783 79 HB3 ALA 11 2HB ALA 11 -2.386 -1.452 13.764 80 H LEU 12 H LEU 12 -4.530 -3.624 11.524 81 HA LEU 12 HA LEU 12 -3.451 -5.914 12.802 82 HB2 LEU 12 2HB LEU 12 -5.851 -5.522 12.724 83 HB3 LEU 12 3HB LEU 12 -5.847 -5.537 10.971 84 HG LEU 12 HG LEU 12 -5.335 -7.965 10.972 85 HD11 LEU 12 1HD1 LEU 12 -5.405 -9.279 13.048 86 HD12 LEU 12 2HD1 LEU 12 -5.483 -7.792 13.995 87 HD13 LEU 12 3HD1 LEU 12 -4.047 -8.156 13.033 88 HD21 LEU 12 3HD2 LEU 12 -7.694 -7.234 10.927 89 HD22 LEU 12 1HD2 LEU 12 -7.746 -7.275 12.695 90 HD23 LEU 12 2HD2 LEU 12 -7.508 -8.764 11.778 91 H ALA 13 H ALA 13 -3.740 -4.930 9.407 92 HA ALA 13 HA ALA 13 -2.830 -7.301 8.172 93 HB1 ALA 13 3HB ALA 13 -2.612 -4.440 7.172 94 HB2 ALA 13 1HB ALA 13 -3.983 -5.522 6.924 95 HB3 ALA 13 2HB ALA 13 -2.420 -5.896 6.190 96 H GLN 14 H GLN 14 -1.133 -4.446 9.402 97 HA GLN 14 HA GLN 14 1.517 -5.172 8.741 98 HB2 GLN 14 2HB GLN 14 0.407 -3.486 11.020 99 HB3 GLN 14 3HB GLN 14 2.125 -3.611 10.641 100 HG2 GLN 14 2HG GLN 14 1.778 -2.589 8.466 101 HG3 GLN 14 3HG GLN 14 0.028 -2.601 8.696 102 HE21 GLN 14 1HE2 GLN 14 2.022 -0.377 8.287 103 HE22 GLN 14 2HE2 GLN 14 1.678 0.737 9.556 104 H GLU 15 H GLU 15 -0.553 -6.019 11.517 105 HA GLU 15 HA GLU 15 1.445 -7.385 13.012 106 HB2 GLU 15 2HB GLU 15 -1.572 -7.802 13.085 107 HB3 GLU 15 3HB GLU 15 -0.425 -8.385 14.290 108 HG2 GLU 15 2HG GLU 15 -1.175 -5.512 13.690 109 HG3 GLU 15 3HG GLU 15 -1.518 -6.430 15.154 110 H HIS 16 H HIS 16 -0.893 -8.499 10.556 111 HA HIS 16 HA HIS 16 -0.189 -11.220 10.566 112 HB2 HIS 16 2HB HIS 16 -1.304 -9.490 8.333 113 HB3 HIS 16 3HB HIS 16 -1.049 -11.221 8.150 114 HD1 HIS 16 HD1 HIS 16 -2.497 -12.778 9.782 115 HD2 HIS 16 HD2 HIS 16 -3.683 -8.811 9.569 116 HE1 HIS 16 HE1 HIS 16 -4.827 -12.720 10.708 117 HE2 HIS 16 HE2 HIS 16 -5.420 -10.281 10.773 118 H LEU 17 H LEU 17 1.250 -8.458 8.810 119 HA LEU 17 HA LEU 17 3.092 -9.844 7.239 120 HB2 LEU 17 2HB LEU 17 3.208 -7.065 8.443 121 HB3 LEU 17 3HB LEU 17 4.454 -7.666 7.357 122 HG LEU 17 HG LEU 17 1.509 -7.408 6.608 123 HD11 LEU 17 1HD1 LEU 17 2.155 -5.489 5.237 124 HD12 LEU 17 2HD1 LEU 17 3.811 -5.599 5.834 125 HD13 LEU 17 3HD1 LEU 17 2.498 -5.186 6.940 126 HD21 LEU 17 3HD2 LEU 17 2.282 -7.814 4.305 127 HD22 LEU 17 1HD2 LEU 17 2.644 -9.185 5.352 128 HD23 LEU 17 2HD2 LEU 17 3.929 -8.064 4.888 129 H LYS 18 H LYS 18 3.555 -8.506 10.541 130 HA LYS 18 HA LYS 18 6.248 -9.496 10.760 131 HB2 LYS 18 2HB LYS 18 6.153 -8.718 13.113 132 HB3 LYS 18 3HB LYS 18 5.621 -7.489 11.972 133 HG2 LYS 18 2HG LYS 18 3.272 -7.959 12.544 134 HG3 LYS 18 3HG LYS 18 3.794 -9.204 13.682 135 HD2 LYS 18 2HD LYS 18 3.235 -7.106 14.863 136 HD3 LYS 18 3HD LYS 18 4.947 -7.500 15.049 137 HE2 LYS 18 2HE LYS 18 4.616 -5.088 14.627 138 HE3 LYS 18 3HE LYS 18 5.530 -5.839 13.321 139 HZ1 LYS 18 3HZ LYS 18 3.812 -4.304 12.549 140 HZ2 LYS 18 1HZ LYS 18 2.617 -5.280 13.230 141 HZ3 LYS 18 2HZ LYS 18 3.572 -5.867 11.965 142 H HIS 19 H HIS 19 3.141 -10.941 11.371 143 HA HIS 19 HA HIS 19 4.333 -13.272 12.705 144 HB2 HIS 19 2HB HIS 19 1.486 -12.491 12.008 145 HB3 HIS 19 3HB HIS 19 1.869 -14.127 12.523 146 HD1 HIS 19 HD1 HIS 19 1.413 -14.466 14.918 147 HD2 HIS 19 HD2 HIS 19 2.591 -10.554 14.157 148 HE1 HIS 19 HE1 HIS 19 1.332 -13.296 17.132 149 HE2 HIS 19 HE2 HIS 19 2.171 -10.977 16.670 150 H ASP 20 H ASP 20 4.529 -12.345 9.645 151 HA ASP 20 HA ASP 20 5.192 -13.358 7.744 152 HB2 ASP 20 2HB ASP 20 6.470 -14.904 9.168 153 HB3 ASP 20 3HB ASP 20 5.054 -15.926 9.382 154 H ASN 21 H ASN 21 2.182 -13.551 8.889 155 HA ASN 21 HA ASN 21 0.927 -15.157 6.810 156 HB2 ASN 21 2HB ASN 21 -0.161 -13.451 9.084 157 HB3 ASN 21 3HB ASN 21 -1.217 -14.208 7.897 158 HD21 ASN 21 1HD2 ASN 21 0.081 -16.671 7.590 159 HD22 ASN 21 2HD2 ASN 21 -0.072 -17.555 9.062 160 H ALA 22 H ALA 22 2.312 -13.684 5.372 161 HA ALA 22 HA ALA 22 1.650 -10.987 4.856 162 HB1 ALA 22 3HB ALA 22 3.106 -12.994 3.100 163 HB2 ALA 22 1HB ALA 22 3.839 -11.937 4.310 164 HB3 ALA 22 2HB ALA 22 3.092 -11.247 2.873 165 H SER 23 H SER 23 0.594 -14.030 3.337 166 HA SER 23 HA SER 23 -0.906 -13.002 1.221 167 HB2 SER 23 2HB SER 23 -1.443 -15.543 2.811 168 HB3 SER 23 3HB SER 23 -2.084 -15.181 1.207 169 HG SER 23 HG SER 23 0.695 -15.261 1.794 170 H ARG 24 H ARG 24 -1.880 -13.505 4.635 171 HA ARG 24 HA ARG 24 -4.648 -12.813 4.178 172 HB2 ARG 24 2HB ARG 24 -3.111 -12.965 6.809 173 HB3 ARG 24 3HB ARG 24 -4.860 -12.935 6.636 174 HG2 ARG 24 2HG ARG 24 -2.979 -15.165 5.828 175 HG3 ARG 24 3HG ARG 24 -4.194 -15.189 7.104 176 HD2 ARG 24 2HD ARG 24 -5.985 -15.044 5.419 177 HD3 ARG 24 3HD ARG 24 -4.772 -14.989 4.129 178 HE ARG 24 HE ARG 24 -4.513 -17.304 5.833 179 HH11 ARG 24 1HH1 ARG 24 -6.227 -16.096 3.007 180 HH12 ARG 24 2HH1 ARG 24 -6.581 -17.680 2.397 181 HH21 ARG 24 1HH2 ARG 24 -5.000 -19.367 5.026 182 HH22 ARG 24 2HH2 ARG 24 -5.891 -19.530 3.546 183 H ALA 25 H ALA 25 -1.736 -11.156 5.241 184 HA ALA 25 HA ALA 25 -2.825 -8.614 5.893 185 HB1 ALA 25 3HB ALA 25 -0.540 -9.285 6.506 186 HB2 ALA 25 1HB ALA 25 -0.517 -7.796 5.563 187 HB3 ALA 25 2HB ALA 25 -0.077 -9.331 4.805 188 H LEU 26 H LEU 26 -1.820 -10.147 2.907 189 HA LEU 26 HA LEU 26 -1.745 -7.953 1.132 190 HB2 LEU 26 2HB LEU 26 -0.801 -10.247 0.680 191 HB3 LEU 26 3HB LEU 26 -2.434 -10.860 0.517 192 HG LEU 26 HG LEU 26 -2.726 -9.257 -1.453 193 HD11 LEU 26 1HD1 LEU 26 0.284 -8.976 -1.211 194 HD12 LEU 26 2HD1 LEU 26 -0.900 -7.693 -0.963 195 HD13 LEU 26 3HD1 LEU 26 -0.704 -8.408 -2.560 196 HD21 LEU 26 3HD2 LEU 26 -2.347 -11.658 -1.807 197 HD22 LEU 26 1HD2 LEU 26 -0.602 -11.409 -1.719 198 HD23 LEU 26 2HD2 LEU 26 -1.529 -10.706 -3.046 199 H ALA 27 H ALA 27 -4.227 -10.394 1.731 200 HA ALA 27 HA ALA 27 -6.318 -9.445 0.185 201 HB1 ALA 27 3HB ALA 27 -6.473 -10.945 2.827 202 HB2 ALA 27 1HB ALA 27 -6.243 -11.672 1.234 203 HB3 ALA 27 2HB ALA 27 -7.754 -10.849 1.618 204 H LEU 28 H LEU 28 -5.536 -8.589 3.584 205 HA LEU 28 HA LEU 28 -7.749 -6.911 4.075 206 HB2 LEU 28 2HB LEU 28 -4.980 -7.011 5.308 207 HB3 LEU 28 3HB LEU 28 -6.200 -5.873 5.865 208 HG LEU 28 HG LEU 28 -6.550 -8.906 5.919 209 HD11 LEU 28 1HD1 LEU 28 -4.779 -8.205 7.476 210 HD12 LEU 28 2HD1 LEU 28 -6.211 -8.755 8.343 211 HD13 LEU 28 3HD1 LEU 28 -5.878 -7.026 8.203 212 HD21 LEU 28 3HD2 LEU 28 -8.512 -8.458 7.316 213 HD22 LEU 28 1HD2 LEU 28 -8.689 -7.646 5.763 214 HD23 LEU 28 2HD2 LEU 28 -8.238 -6.717 7.199 215 H PHE 29 H PHE 29 -4.467 -6.088 2.864 216 HA PHE 29 HA PHE 29 -4.868 -3.282 2.772 217 HB2 PHE 29 2HB PHE 29 -2.875 -5.097 1.384 218 HB3 PHE 29 3HB PHE 29 -2.874 -3.362 1.139 219 HD1 PHE 29 HD1 PHE 29 -3.109 -2.129 3.706 220 HD2 PHE 29 HD2 PHE 29 -1.061 -5.755 2.708 221 HE1 PHE 29 HE1 PHE 29 -1.577 -1.808 5.608 222 HE2 PHE 29 HE2 PHE 29 0.446 -5.426 4.618 223 HZ PHE 29 HZ PHE 29 0.194 -3.449 6.073 224 H GLU 30 H GLU 30 -5.068 -5.788 0.230 225 HA GLU 30 HA GLU 30 -5.750 -4.219 -1.977 226 HB2 GLU 30 2HB GLU 30 -6.553 -7.076 -1.314 227 HB3 GLU 30 3HB GLU 30 -6.724 -6.346 -2.902 228 HG2 GLU 30 2HG GLU 30 -4.271 -6.069 -3.035 229 HG3 GLU 30 3HG GLU 30 -4.107 -6.810 -1.442 230 H GLU 31 H GLU 31 -7.755 -5.654 0.548 231 HA GLU 31 HA GLU 31 -10.302 -4.963 -0.425 232 HB2 GLU 31 2HB GLU 31 -9.864 -6.600 1.397 233 HB3 GLU 31 3HB GLU 31 -9.357 -5.282 2.447 234 HG2 GLU 31 2HG GLU 31 -11.768 -4.327 1.973 235 HG3 GLU 31 3HG GLU 31 -12.133 -5.978 1.470 236 H LEU 32 H LEU 32 -8.015 -3.277 1.725 237 HA LEU 32 HA LEU 32 -9.597 -1.075 2.436 238 HB2 LEU 32 2HB LEU 32 -6.582 -1.365 2.236 239 HB3 LEU 32 3HB LEU 32 -7.350 0.082 2.869 240 HG LEU 32 HG LEU 32 -7.627 -2.702 4.076 241 HD11 LEU 32 1HD1 LEU 32 -6.016 -0.328 5.064 242 HD12 LEU 32 2HD1 LEU 32 -5.353 -1.814 4.381 243 HD13 LEU 32 3HD1 LEU 32 -6.229 -1.864 5.912 244 HD21 LEU 32 3HD2 LEU 32 -8.655 -0.011 5.036 245 HD22 LEU 32 1HD2 LEU 32 -8.707 -1.514 5.951 246 HD23 LEU 32 2HD2 LEU 32 -9.630 -1.371 4.464 247 H VAL 33 H VAL 33 -7.396 -1.503 -0.330 248 HA VAL 33 HA VAL 33 -7.510 1.058 -1.443 249 HB VAL 33 HB VAL 33 -7.187 -1.655 -2.814 250 HG11 VAL 33 1HG1 VAL 33 -6.621 1.098 -3.982 251 HG12 VAL 33 2HG1 VAL 33 -7.868 -0.028 -4.517 252 HG13 VAL 33 3HG1 VAL 33 -6.167 -0.439 -4.733 253 HG21 VAL 33 3HG2 VAL 33 -4.764 -1.115 -2.798 254 HG22 VAL 33 1HG2 VAL 33 -5.431 -1.182 -1.165 255 HG23 VAL 33 2HG2 VAL 33 -5.105 0.378 -1.922 256 H GLU 34 H GLU 34 -9.460 -1.815 -2.317 257 HA GLU 34 HA GLU 34 -11.042 -0.472 -4.241 258 HB2 GLU 34 2HB GLU 34 -12.379 -2.535 -4.328 259 HB3 GLU 34 3HB GLU 34 -10.651 -2.873 -4.357 260 HG2 GLU 34 2HG GLU 34 -10.765 -3.415 -1.911 261 HG3 GLU 34 3HG GLU 34 -12.511 -3.196 -1.977 262 H THR 35 H THR 35 -11.628 -1.054 -0.745 263 HA THR 35 HA THR 35 -14.399 -0.236 -0.895 264 HB THR 35 HB THR 35 -14.377 -0.540 1.584 265 HG1 THR 35 HG1 THR 35 -12.025 -1.738 1.929 266 HG21 THR 35 3HG2 THR 35 -13.955 -2.978 1.631 267 HG22 THR 35 1HG2 THR 35 -13.106 -2.870 0.086 268 HG23 THR 35 2HG2 THR 35 -14.835 -2.519 0.171 269 H ASP 36 H ASP 36 -11.309 1.135 0.165 270 HA ASP 36 HA ASP 36 -12.549 3.803 0.439 271 HB2 ASP 36 2HB ASP 36 -12.242 2.706 2.732 272 HB3 ASP 36 3HB ASP 36 -10.508 2.735 2.438 273 HA PRO 37 HA PRO 37 -8.874 4.024 -2.356 274 HB2 PRO 37 2HB PRO 37 -9.743 6.217 -3.782 275 HB3 PRO 37 3HB PRO 37 -10.273 4.564 -4.124 276 HG2 PRO 37 2HG PRO 37 -11.657 6.707 -2.522 277 HG3 PRO 37 3HG PRO 37 -12.334 5.621 -3.756 278 HD2 PRO 37 2HD PRO 37 -12.634 5.156 -1.100 279 HD3 PRO 37 3HD PRO 37 -12.473 3.819 -2.268 280 H ASP 38 H ASP 38 -10.107 6.196 -0.001 281 HA ASP 38 HA ASP 38 -8.291 8.400 -0.482 282 HB2 ASP 38 2HB ASP 38 -10.134 7.844 1.881 283 HB3 ASP 38 3HB ASP 38 -9.344 9.383 1.539 284 H TYR 39 H TYR 39 -8.327 5.545 1.562 285 HA TYR 39 HA TYR 39 -6.475 6.416 3.519 286 HB2 TYR 39 2HB TYR 39 -8.139 4.389 3.596 287 HB3 TYR 39 3HB TYR 39 -6.860 3.480 2.797 288 HD1 TYR 39 HD2 TYR 39 -4.676 3.125 3.976 289 HD2 TYR 39 HD1 TYR 39 -7.957 4.987 5.965 290 HE1 TYR 39 HE2 TYR 39 -3.545 2.814 6.119 291 HE2 TYR 39 HE1 TYR 39 -6.812 4.685 8.120 292 HH TYR 39 HH TYR 39 -4.976 3.072 9.036 293 H VAL 40 H VAL 40 -4.663 7.308 2.633 294 HA VAL 40 HA VAL 40 -3.177 6.337 0.431 295 HB VAL 40 HB VAL 40 -2.218 8.190 2.659 296 HG11 VAL 40 1HG1 VAL 40 -0.666 9.103 0.949 297 HG12 VAL 40 2HG1 VAL 40 -1.212 7.877 -0.197 298 HG13 VAL 40 3HG1 VAL 40 -0.359 7.395 1.270 299 HG21 VAL 40 3HG2 VAL 40 -2.949 10.064 1.228 300 HG22 VAL 40 1HG2 VAL 40 -4.312 9.035 1.676 301 HG23 VAL 40 2HG2 VAL 40 -3.616 8.922 0.057 302 H GLY 41 H GLY 41 -2.941 5.740 3.896 303 HA2 GLY 41 2HA GLY 41 -0.322 4.821 4.185 304 HA3 GLY 41 3HA GLY 41 -1.673 4.365 5.208 305 H THR 42 H THR 42 -3.191 3.094 3.110 306 HA THR 42 HA THR 42 -2.334 0.451 3.261 307 HB THR 42 HB THR 42 -4.222 1.770 1.260 308 HG1 THR 42 HG1 THR 42 -5.704 1.530 2.764 309 HG21 THR 42 3HG2 THR 42 -3.929 -1.163 1.991 310 HG22 THR 42 1HG2 THR 42 -3.511 -0.434 0.435 311 HG23 THR 42 2HG2 THR 42 -5.192 -0.478 0.965 312 H TYR 43 H TYR 43 -2.050 2.795 0.594 313 HA TYR 43 HA TYR 43 -1.356 0.999 -1.426 314 HB2 TYR 43 2HB TYR 43 -0.850 3.990 -1.214 315 HB3 TYR 43 3HB TYR 43 -0.629 3.056 -2.695 316 HD1 TYR 43 HD2 TYR 43 -2.624 1.893 -3.733 317 HD2 TYR 43 HD1 TYR 43 -3.075 4.708 -0.557 318 HE1 TYR 43 HE2 TYR 43 -4.993 2.139 -4.284 319 HE2 TYR 43 HE1 TYR 43 -5.457 4.941 -1.117 320 HH TYR 43 HH TYR 43 -6.924 4.611 -3.023 321 H TYR 44 H TYR 44 0.791 3.127 0.479 322 HA TYR 44 HA TYR 44 3.234 2.419 -0.532 323 HB2 TYR 44 2HB TYR 44 2.648 4.209 1.209 324 HB3 TYR 44 3HB TYR 44 2.687 2.936 2.425 325 HD1 TYR 44 HD2 TYR 44 4.792 4.519 -0.246 326 HD2 TYR 44 HD1 TYR 44 4.783 2.425 3.486 327 HE1 TYR 44 HE2 TYR 44 7.213 4.858 -0.042 328 HE2 TYR 44 HE1 TYR 44 7.211 2.763 3.674 329 HH TYR 44 HH TYR 44 8.933 4.934 1.693 330 H HIS 45 H HIS 45 1.621 0.930 2.236 331 HA HIS 45 HA HIS 45 3.647 -1.037 2.704 332 HB2 HIS 45 2HB HIS 45 0.839 -0.765 3.860 333 HB3 HIS 45 3HB HIS 45 2.031 -1.937 4.425 334 HD1 HIS 45 HD1 HIS 45 3.342 -1.129 6.400 335 HD2 HIS 45 HD2 HIS 45 2.065 2.020 4.017 336 HE1 HIS 45 HE1 HIS 45 4.150 0.961 7.540 337 HE2 HIS 45 HE2 HIS 45 3.230 2.848 6.158 338 H LEU 46 H LEU 46 0.711 -1.079 0.824 339 HA LEU 46 HA LEU 46 0.549 -3.935 0.466 340 HB2 LEU 46 2HB LEU 46 -1.486 -2.594 0.266 341 HB3 LEU 46 3HB LEU 46 -0.777 -1.637 -1.026 342 HG LEU 46 HG LEU 46 -0.804 -3.595 -2.536 343 HD11 LEU 46 1HD1 LEU 46 -0.470 -5.411 -0.906 344 HD12 LEU 46 2HD1 LEU 46 -1.866 -5.713 -1.937 345 HD13 LEU 46 3HD1 LEU 46 -2.100 -5.158 -0.282 346 HD21 LEU 46 3HD2 LEU 46 -3.222 -3.829 -2.842 347 HD22 LEU 46 1HD2 LEU 46 -2.783 -2.153 -2.511 348 HD23 LEU 46 2HD2 LEU 46 -3.503 -3.144 -1.241 349 H GLY 47 H GLY 47 1.898 -1.182 -1.312 350 HA2 GLY 47 2HA GLY 47 2.650 -2.579 -3.679 351 HA3 GLY 47 3HA GLY 47 3.266 -1.024 -3.138 352 H LYS 48 H LYS 48 4.334 -1.736 -0.670 353 HA LYS 48 HA LYS 48 6.875 -2.780 -1.177 354 HB2 LYS 48 2HB LYS 48 5.271 -2.618 1.413 355 HB3 LYS 48 3HB LYS 48 6.965 -3.107 1.367 356 HG2 LYS 48 2HG LYS 48 5.915 -0.417 0.426 357 HG3 LYS 48 3HG LYS 48 6.637 -0.728 2.005 358 HD2 LYS 48 2HD LYS 48 8.748 -1.406 0.879 359 HD3 LYS 48 3HD LYS 48 8.027 -1.034 -0.688 360 HE2 LYS 48 2HE LYS 48 7.905 1.315 -0.148 361 HE3 LYS 48 3HE LYS 48 8.347 1.007 1.535 362 HZ1 LYS 48 3HZ LYS 48 10.081 0.597 -0.830 363 HZ2 LYS 48 1HZ LYS 48 10.498 0.217 0.764 364 HZ3 LYS 48 2HZ LYS 48 10.222 1.824 0.323 365 H LEU 49 H LEU 49 3.964 -4.309 0.085 366 HA LEU 49 HA LEU 49 5.025 -6.884 0.575 367 HB2 LEU 49 2HB LEU 49 2.957 -6.030 1.593 368 HB3 LEU 49 3HB LEU 49 2.162 -6.020 0.028 369 HG LEU 49 HG LEU 49 2.104 -8.441 -0.056 370 HD11 LEU 49 1HD1 LEU 49 3.760 -8.492 2.497 371 HD12 LEU 49 2HD1 LEU 49 4.324 -8.962 0.890 372 HD13 LEU 49 3HD1 LEU 49 3.056 -9.890 1.681 373 HD21 LEU 49 3HD2 LEU 49 0.342 -7.362 1.274 374 HD22 LEU 49 1HD2 LEU 49 1.334 -7.510 2.729 375 HD23 LEU 49 2HD2 LEU 49 0.731 -8.957 1.915 376 H TYR 50 H TYR 50 3.356 -5.503 -2.243 377 HA TYR 50 HA TYR 50 3.312 -7.727 -3.919 378 HB2 TYR 50 2HB TYR 50 3.475 -4.756 -4.512 379 HB3 TYR 50 3HB TYR 50 3.490 -5.933 -5.820 380 HD1 TYR 50 HD2 TYR 50 1.504 -7.939 -4.728 381 HD2 TYR 50 HD1 TYR 50 1.370 -3.665 -4.880 382 HE1 TYR 50 HE2 TYR 50 -0.949 -8.011 -4.769 383 HE2 TYR 50 HE1 TYR 50 -1.082 -3.753 -4.932 384 HH TYR 50 HH TYR 50 -2.838 -6.592 -4.241 385 H GLU 51 H GLU 51 5.922 -5.309 -3.509 386 HA GLU 51 HA GLU 51 7.664 -6.332 -5.485 387 HB2 GLU 51 2HB GLU 51 8.348 -4.756 -2.979 388 HB3 GLU 51 3HB GLU 51 9.439 -5.018 -4.341 389 HG2 GLU 51 2HG GLU 51 7.804 -3.813 -5.806 390 HG3 GLU 51 3HG GLU 51 6.828 -3.467 -4.383 391 H ARG 52 H ARG 52 7.212 -7.230 -2.103 392 HA ARG 52 HA ARG 52 9.416 -8.987 -1.771 393 HB2 ARG 52 2HB ARG 52 6.656 -9.178 -0.494 394 HB3 ARG 52 3HB ARG 52 8.108 -9.996 0.077 395 HG2 ARG 52 2HG ARG 52 9.118 -7.838 0.665 396 HG3 ARG 52 3HG ARG 52 7.721 -6.987 0.005 397 HD2 ARG 52 2HD ARG 52 6.280 -8.170 1.694 398 HD3 ARG 52 3HD ARG 52 7.752 -8.839 2.412 399 HE ARG 52 HE ARG 52 7.696 -5.947 2.188 400 HH11 ARG 52 1HH1 ARG 52 6.908 -8.671 4.257 401 HH12 ARG 52 2HH1 ARG 52 6.931 -7.726 5.705 402 HH21 ARG 52 1HH2 ARG 52 7.680 -4.723 4.100 403 HH22 ARG 52 2HH2 ARG 52 7.364 -5.497 5.618 404 H LEU 53 H LEU 53 6.147 -9.419 -3.038 405 HA LEU 53 HA LEU 53 6.404 -12.312 -3.387 406 HB2 LEU 53 2HB LEU 53 4.091 -10.441 -4.028 407 HB3 LEU 53 3HB LEU 53 4.018 -12.197 -3.977 408 HG LEU 53 HG LEU 53 4.510 -10.377 -1.580 409 HD11 LEU 53 1HD1 LEU 53 2.038 -11.989 -2.289 410 HD12 LEU 53 2HD1 LEU 53 2.194 -10.232 -2.353 411 HD13 LEU 53 3HD1 LEU 53 2.288 -11.064 -0.805 412 HD21 LEU 53 3HD2 LEU 53 5.688 -12.500 -1.265 413 HD22 LEU 53 1HD2 LEU 53 4.221 -13.404 -1.657 414 HD23 LEU 53 2HD2 LEU 53 4.293 -12.421 -0.193 415 H ASP 54 H ASP 54 7.864 -10.157 -5.071 416 HA ASP 54 HA ASP 54 8.702 -9.902 -7.136 417 HB2 ASP 54 2HB ASP 54 8.830 -12.414 -7.090 418 HB3 ASP 54 3HB ASP 54 7.252 -12.487 -7.861 419 H ARG 55 H ARG 55 5.718 -9.268 -6.458 420 HA ARG 55 HA ARG 55 4.481 -8.917 -9.084 421 HB2 ARG 55 2HB ARG 55 3.443 -8.221 -6.298 422 HB3 ARG 55 3HB ARG 55 2.491 -8.209 -7.779 423 HG2 ARG 55 2HG ARG 55 3.719 -10.656 -6.453 424 HG3 ARG 55 3HG ARG 55 2.012 -10.196 -6.430 425 HD2 ARG 55 2HD ARG 55 3.626 -10.959 -8.891 426 HD3 ARG 55 3HD ARG 55 2.430 -11.972 -8.075 427 HE ARG 55 HE ARG 55 1.455 -9.405 -8.997 428 HH11 ARG 55 1HH1 ARG 55 1.779 -12.808 -9.809 429 HH12 ARG 55 2HH1 ARG 55 0.576 -12.728 -11.058 430 HH21 ARG 55 1HH2 ARG 55 -0.100 -9.316 -10.591 431 HH22 ARG 55 2HH2 ARG 55 -0.490 -10.739 -11.515 432 H THR 56 H THR 56 6.662 -7.453 -9.167 433 HA THR 56 HA THR 56 6.773 -4.930 -7.938 434 HB THR 56 HB THR 56 8.043 -5.783 -10.579 435 HG1 THR 56 HG1 THR 56 9.555 -6.759 -9.400 436 HG21 THR 56 3HG2 THR 56 9.801 -4.155 -10.025 437 HG22 THR 56 1HG2 THR 56 8.948 -3.704 -8.546 438 HG23 THR 56 2HG2 THR 56 8.236 -3.347 -10.120 439 H ASP 57 H ASP 57 5.338 -5.998 -10.997 440 HA ASP 57 HA ASP 57 4.762 -3.449 -12.114 441 HB2 ASP 57 2HB ASP 57 4.762 -5.539 -13.454 442 HB3 ASP 57 3HB ASP 57 3.362 -6.120 -12.561 443 H ASP 58 H ASP 58 2.874 -5.673 -10.098 444 HA ASP 58 HA ASP 58 0.436 -4.260 -9.980 445 HB2 ASP 58 2HB ASP 58 1.678 -6.084 -7.871 446 HB3 ASP 58 3HB ASP 58 -0.023 -5.624 -7.952 447 H ALA 59 H ALA 59 3.397 -4.109 -8.078 448 HA ALA 59 HA ALA 59 2.631 -2.298 -6.080 449 HB1 ALA 59 3HB ALA 59 4.695 -3.623 -5.955 450 HB2 ALA 59 1HB ALA 59 5.040 -1.904 -5.768 451 HB3 ALA 59 2HB ALA 59 5.379 -2.710 -7.301 452 H ILE 60 H ILE 60 4.056 -1.721 -9.332 453 HA ILE 60 HA ILE 60 4.429 1.025 -9.269 454 HB ILE 60 HB ILE 60 3.442 -0.528 -11.707 455 HG12 ILE 60 2HG1 ILE 60 5.426 -1.663 -10.864 456 HG13 ILE 60 3HG1 ILE 60 5.890 -0.761 -12.299 457 HG21 ILE 60 1HG2 ILE 60 3.314 1.888 -12.069 458 HG22 ILE 60 2HG2 ILE 60 4.611 1.207 -13.049 459 HG23 ILE 60 3HG2 ILE 60 4.996 2.087 -11.568 460 HD11 ILE 60 3HD1 ILE 60 7.574 -0.581 -10.603 461 HD12 ILE 60 1HD1 ILE 60 6.405 0.041 -9.440 462 HD13 ILE 60 2HD1 ILE 60 6.832 0.996 -10.864 463 H ASP 61 H ASP 61 1.463 -0.736 -10.195 464 HA ASP 61 HA ASP 61 -0.072 1.584 -10.830 465 HB2 ASP 61 2HB ASP 61 -0.617 -0.636 -11.770 466 HB3 ASP 61 3HB ASP 61 -1.018 -1.235 -10.164 467 H THR 62 H THR 62 0.203 -0.452 -7.933 468 HA THR 62 HA THR 62 -1.853 0.770 -6.405 469 HB THR 62 HB THR 62 0.574 -0.835 -5.500 470 HG1 THR 62 HG1 THR 62 -0.580 -2.312 -6.477 471 HG21 THR 62 3HG2 THR 62 -1.969 -0.183 -3.948 472 HG22 THR 62 1HG2 THR 62 -0.349 0.406 -3.571 473 HG23 THR 62 2HG2 THR 62 -0.716 -1.313 -3.429 474 H TYR 63 H TYR 63 1.598 1.453 -6.693 475 HA TYR 63 HA TYR 63 1.736 3.471 -4.693 476 HB2 TYR 63 2HB TYR 63 3.554 2.808 -7.036 477 HB3 TYR 63 3HB TYR 63 3.877 4.162 -5.956 478 HD1 TYR 63 HD1 TYR 63 3.148 2.963 -3.305 479 HD2 TYR 63 HD2 TYR 63 5.357 1.299 -6.563 480 HE1 TYR 63 HE1 TYR 63 4.377 1.539 -1.743 481 HE2 TYR 63 HE2 TYR 63 6.581 -0.139 -4.984 482 HH TYR 63 HH TYR 63 7.111 -0.328 -2.703 483 H ALA 64 H ALA 64 1.265 3.513 -8.222 484 HA ALA 64 HA ALA 64 1.055 6.266 -8.651 485 HB1 ALA 64 3HB ALA 64 -0.340 4.018 -10.138 486 HB2 ALA 64 1HB ALA 64 1.293 4.611 -10.457 487 HB3 ALA 64 2HB ALA 64 -0.099 5.660 -10.737 488 H GLN 65 H GLN 65 -1.466 3.900 -7.826 489 HA GLN 65 HA GLN 65 -3.724 5.567 -7.790 490 HB2 GLN 65 2HB GLN 65 -3.077 3.029 -6.232 491 HB3 GLN 65 3HB GLN 65 -4.643 3.823 -6.122 492 HG2 GLN 65 2HG GLN 65 -3.553 2.959 -8.800 493 HG3 GLN 65 3HG GLN 65 -4.331 1.798 -7.731 494 HE21 GLN 65 1HE2 GLN 65 -5.429 5.176 -8.051 495 HE22 GLN 65 2HE2 GLN 65 -6.928 4.776 -8.786 496 H GLY 66 H GLY 66 -1.379 4.677 -5.335 497 HA2 GLY 66 2HA GLY 66 -2.248 6.101 -3.116 498 HA3 GLY 66 3HA GLY 66 -0.579 5.693 -3.479 499 H ILE 67 H ILE 67 -0.069 7.137 -5.744 500 HA ILE 67 HA ILE 67 0.796 9.585 -4.756 501 HB ILE 67 HB ILE 67 0.433 8.552 -7.593 502 HG12 ILE 67 2HG1 ILE 67 2.982 8.996 -5.971 503 HG13 ILE 67 3HG1 ILE 67 2.159 7.449 -6.110 504 HG21 ILE 67 1HG2 ILE 67 1.833 11.135 -6.850 505 HG22 ILE 67 2HG2 ILE 67 0.341 10.993 -7.770 506 HG23 ILE 67 3HG2 ILE 67 1.847 10.389 -8.455 507 HD11 ILE 67 3HD1 ILE 67 2.592 7.440 -8.512 508 HD12 ILE 67 1HD1 ILE 67 4.077 7.570 -7.567 509 HD13 ILE 67 2HD1 ILE 67 3.419 8.994 -8.369 510 H GLU 68 H GLU 68 -2.018 8.865 -6.766 511 HA GLU 68 HA GLU 68 -2.875 11.489 -7.333 512 HB2 GLU 68 2HB GLU 68 -4.598 8.992 -7.106 513 HB3 GLU 68 3HB GLU 68 -4.985 10.456 -8.015 514 HG2 GLU 68 2HG GLU 68 -3.120 10.005 -9.554 515 HG3 GLU 68 3HG GLU 68 -2.679 8.578 -8.622 516 H VAL 69 H VAL 69 -3.748 9.209 -4.769 517 HA VAL 69 HA VAL 69 -5.575 11.103 -3.490 518 HB VAL 69 HB VAL 69 -6.117 9.348 -1.881 519 HG11 VAL 69 1HG1 VAL 69 -7.288 9.319 -4.059 520 HG12 VAL 69 2HG1 VAL 69 -7.105 7.683 -3.427 521 HG13 VAL 69 3HG1 VAL 69 -6.052 8.249 -4.726 522 HG21 VAL 69 3HG2 VAL 69 -5.114 7.085 -1.991 523 HG22 VAL 69 1HG2 VAL 69 -3.901 8.305 -1.596 524 HG23 VAL 69 2HG2 VAL 69 -3.986 7.645 -3.229 525 H ALA 70 H ALA 70 -2.233 10.381 -3.306 526 HA ALA 70 HA ALA 70 -1.784 10.798 -0.499 527 HB1 ALA 70 3HB ALA 70 0.178 10.882 -2.806 528 HB2 ALA 70 1HB ALA 70 -0.255 9.459 -1.854 529 HB3 ALA 70 2HB ALA 70 0.597 10.801 -1.092 530 H ARG 71 H ARG 71 -1.332 12.753 -3.405 531 HA ARG 71 HA ARG 71 -0.353 15.098 -2.182 532 HB2 ARG 71 2HB ARG 71 -1.077 16.217 -4.338 533 HB3 ARG 71 3HB ARG 71 -0.067 14.793 -4.553 534 HG2 ARG 71 2HG ARG 71 -2.086 13.447 -5.055 535 HG3 ARG 71 3HG ARG 71 -3.082 14.893 -4.884 536 HD2 ARG 71 2HD ARG 71 -1.874 15.928 -6.793 537 HD3 ARG 71 3HD ARG 71 -0.904 14.461 -6.962 538 HE ARG 71 HE ARG 71 -2.773 13.307 -7.783 539 HH11 ARG 71 1HH1 ARG 71 -3.648 16.645 -7.080 540 HH12 ARG 71 2HH1 ARG 71 -5.098 16.581 -8.027 541 HH21 ARG 71 1HH2 ARG 71 -4.694 13.242 -8.996 542 HH22 ARG 71 2HH2 ARG 71 -5.688 14.660 -9.110 543 H GLU 72 H GLU 72 -3.661 13.939 -2.665 544 HA GLU 72 HA GLU 72 -4.853 16.502 -1.934 545 HB2 GLU 72 2HB GLU 72 -6.160 13.846 -2.650 546 HB3 GLU 72 3HB GLU 72 -6.989 15.393 -2.475 547 HG2 GLU 72 2HG GLU 72 -4.975 14.621 -4.613 548 HG3 GLU 72 3HG GLU 72 -6.703 14.906 -4.822 549 H GLU 73 H GLU 73 -5.001 13.158 -0.708 550 HA GLU 73 HA GLU 73 -6.561 13.869 1.619 551 HB2 GLU 73 2HB GLU 73 -5.311 11.188 0.881 552 HB3 GLU 73 3HB GLU 73 -6.536 11.454 2.124 553 HG2 GLU 73 2HG GLU 73 -6.871 11.798 -0.871 554 HG3 GLU 73 3HG GLU 73 -7.542 10.505 0.124 555 H GLY 74 H GLY 74 -3.227 12.736 0.966 556 HA2 GLY 74 2HA GLY 74 -2.503 13.091 3.809 557 HA3 GLY 74 3HA GLY 74 -1.566 12.258 2.572 558 H THR 75 H THR 75 0.148 13.675 3.553 559 HA THR 75 HA THR 75 0.171 16.447 2.572 560 HB THR 75 HB THR 75 2.311 16.647 3.816 561 HG1 THR 75 HG1 THR 75 2.009 13.876 3.997 562 HG21 THR 75 3HG2 THR 75 0.137 15.361 5.527 563 HG22 THR 75 1HG2 THR 75 0.192 17.063 5.050 564 HG23 THR 75 2HG2 THR 75 1.442 16.401 6.103 565 H GLN 76 H GLN 76 2.509 17.073 1.690 566 HA GLN 76 HA GLN 76 2.934 15.845 -0.825 567 HB2 GLN 76 2HB GLN 76 3.474 18.230 -0.236 568 HB3 GLN 76 3HB GLN 76 4.819 17.661 0.745 569 HG2 GLN 76 2HG GLN 76 5.891 16.729 -1.292 570 HG3 GLN 76 3HG GLN 76 4.545 17.325 -2.262 571 HE21 GLN 76 1HE2 GLN 76 4.342 19.578 -2.599 572 HE22 GLN 76 2HE2 GLN 76 5.666 20.659 -2.344 573 H LYS 77 H LYS 77 4.174 15.150 2.337 574 HA LYS 77 HA LYS 77 6.507 13.686 1.730 575 HB2 LYS 77 2HB LYS 77 6.121 14.379 3.984 576 HB3 LYS 77 3HB LYS 77 4.548 13.592 4.047 577 HG2 LYS 77 2HG LYS 77 5.594 11.393 4.048 578 HG3 LYS 77 3HG LYS 77 7.195 12.113 3.847 579 HD2 LYS 77 2HD LYS 77 7.087 13.119 6.056 580 HD3 LYS 77 3HD LYS 77 5.395 12.637 6.246 581 HE2 LYS 77 2HE LYS 77 7.013 11.176 7.486 582 HE3 LYS 77 3HE LYS 77 5.998 10.306 6.338 583 HZ1 LYS 77 3HZ LYS 77 8.774 11.187 5.757 584 HZ2 LYS 77 1HZ LYS 77 7.795 10.185 4.799 585 HZ3 LYS 77 2HZ LYS 77 8.357 9.641 6.300 586 H ASP 78 H ASP 78 3.144 12.589 2.230 587 HA ASP 78 HA ASP 78 3.390 9.845 1.749 588 HB2 ASP 78 2HB ASP 78 1.052 11.689 1.034 589 HB3 ASP 78 3HB ASP 78 0.961 9.930 1.107 590 H LEU 79 H LEU 79 2.650 12.501 -0.445 591 HA LEU 79 HA LEU 79 2.437 11.243 -2.903 592 HB2 LEU 79 2HB LEU 79 1.820 13.569 -2.497 593 HB3 LEU 79 3HB LEU 79 3.480 13.991 -2.127 594 HG LEU 79 HG LEU 79 4.077 13.507 -4.545 595 HD11 LEU 79 1HD1 LEU 79 1.069 13.341 -4.915 596 HD12 LEU 79 2HD1 LEU 79 2.220 12.014 -5.111 597 HD13 LEU 79 3HD1 LEU 79 2.275 13.395 -6.203 598 HD21 LEU 79 3HD2 LEU 79 1.987 15.675 -4.107 599 HD22 LEU 79 1HD2 LEU 79 3.180 15.620 -5.409 600 HD23 LEU 79 2HD2 LEU 79 3.709 15.815 -3.740 601 H SER 80 H SER 80 5.298 12.517 -1.271 602 HA SER 80 HA SER 80 7.159 12.198 -3.366 603 HB2 SER 80 2HB SER 80 7.499 13.784 -1.512 604 HB3 SER 80 3HB SER 80 7.644 12.447 -0.371 605 HG SER 80 HG SER 80 9.518 13.533 -1.984 606 H GLU 81 H GLU 81 6.284 10.142 -0.618 607 HA GLU 81 HA GLU 81 8.419 8.266 -0.904 608 HB2 GLU 81 2HB GLU 81 5.777 8.087 0.597 609 HB3 GLU 81 3HB GLU 81 7.060 6.884 0.712 610 HG2 GLU 81 2HG GLU 81 8.602 8.606 1.610 611 HG3 GLU 81 3HG GLU 81 7.314 9.806 1.508 612 H LEU 82 H LEU 82 5.070 8.339 -2.028 613 HA LEU 82 HA LEU 82 5.058 5.666 -3.081 614 HB2 LEU 82 2HB LEU 82 3.220 8.042 -3.476 615 HB3 LEU 82 3HB LEU 82 2.889 6.445 -4.135 616 HG LEU 82 HG LEU 82 3.340 6.829 -1.149 617 HD11 LEU 82 1HD1 LEU 82 1.507 8.322 -1.726 618 HD12 LEU 82 2HD1 LEU 82 0.933 6.943 -0.796 619 HD13 LEU 82 3HD1 LEU 82 0.668 7.001 -2.537 620 HD21 LEU 82 3HD2 LEU 82 3.472 4.533 -2.017 621 HD22 LEU 82 1HD2 LEU 82 1.851 4.686 -2.704 622 HD23 LEU 82 2HD2 LEU 82 2.085 4.743 -0.953 623 H GLN 83 H GLN 83 5.642 8.873 -4.463 624 HA GLN 83 HA GLN 83 6.027 8.148 -7.175 625 HB2 GLN 83 2HB GLN 83 7.139 10.433 -5.497 626 HB3 GLN 83 3HB GLN 83 7.498 10.273 -7.213 627 HG2 GLN 83 2HG GLN 83 5.176 10.545 -7.804 628 HG3 GLN 83 3HG GLN 83 4.686 10.477 -6.112 629 HE21 GLN 83 1HE2 GLN 83 6.808 12.213 -5.140 630 HE22 GLN 83 2HE2 GLN 83 6.412 13.806 -5.663 631 H ASP 84 H ASP 84 8.308 8.493 -4.482 632 HA ASP 84 HA ASP 84 10.720 7.819 -5.718 633 HB2 ASP 84 2HB ASP 84 10.715 8.837 -3.526 634 HB3 ASP 84 3HB ASP 84 9.753 7.539 -2.842 635 H ALA 85 H ALA 85 8.276 5.800 -4.168 636 HA ALA 85 HA ALA 85 9.751 3.384 -4.138 637 HB1 ALA 85 3HB ALA 85 7.910 3.866 -2.577 638 HB2 ALA 85 1HB ALA 85 7.655 2.347 -3.434 639 HB3 ALA 85 2HB ALA 85 6.756 3.791 -3.909 640 H LYS 86 H LYS 86 7.166 4.592 -6.363 641 HA LYS 86 HA LYS 86 7.154 2.210 -7.929 642 HB2 LYS 86 2HB LYS 86 5.784 3.334 -9.557 643 HB3 LYS 86 3HB LYS 86 5.229 3.762 -7.950 644 HG2 LYS 86 2HG LYS 86 6.086 5.973 -8.114 645 HG3 LYS 86 3HG LYS 86 7.039 5.586 -9.549 646 HD2 LYS 86 2HD LYS 86 3.990 5.628 -9.426 647 HD3 LYS 86 3HD LYS 86 4.996 6.931 -10.066 648 HE2 LYS 86 2HE LYS 86 5.870 5.362 -11.800 649 HE3 LYS 86 3HE LYS 86 4.794 4.106 -11.188 650 HZ1 LYS 86 3HZ LYS 86 3.974 6.692 -12.391 651 HZ2 LYS 86 1HZ LYS 86 2.910 5.551 -11.741 652 HZ3 LYS 86 2HZ LYS 86 3.838 5.165 -13.099 653 H LEU 87 H LEU 87 8.976 5.285 -8.314 654 HA LEU 87 HA LEU 87 9.930 4.658 -10.923 655 HB2 LEU 87 2HB LEU 87 11.478 6.547 -10.717 656 HB3 LEU 87 3HB LEU 87 9.856 6.958 -10.216 657 HG LEU 87 HG LEU 87 10.765 6.640 -7.774 658 HD11 LEU 87 1HD1 LEU 87 13.142 7.198 -7.466 659 HD12 LEU 87 2HD1 LEU 87 13.399 7.055 -9.206 660 HD13 LEU 87 3HD1 LEU 87 12.927 5.641 -8.264 661 HD21 LEU 87 3HD2 LEU 87 10.052 8.793 -8.715 662 HD22 LEU 87 1HD2 LEU 87 11.652 9.022 -9.430 663 HD23 LEU 87 2HD2 LEU 87 11.460 8.980 -7.674 664 H LYS 88 H LYS 88 11.289 4.011 -7.711 665 HA LYS 88 HA LYS 88 13.722 2.882 -8.776 666 HB2 LYS 88 2HB LYS 88 14.266 2.229 -6.498 667 HB3 LYS 88 3HB LYS 88 13.690 3.882 -6.539 668 HG2 LYS 88 2HG LYS 88 12.637 3.132 -4.633 669 HG3 LYS 88 3HG LYS 88 11.381 2.804 -5.828 670 HD2 LYS 88 2HD LYS 88 12.195 0.433 -5.952 671 HD3 LYS 88 3HD LYS 88 13.347 0.794 -4.661 672 HE2 LYS 88 2HE LYS 88 11.472 1.324 -3.142 673 HE3 LYS 88 3HE LYS 88 10.320 0.995 -4.437 674 HZ1 LYS 88 3HZ LYS 88 12.130 -0.942 -3.118 675 HZ2 LYS 88 1HZ LYS 88 11.214 -1.291 -4.500 676 HZ3 LYS 88 2HZ LYS 88 10.442 -0.896 -3.058 677 H ALA 89 H ALA 89 10.547 1.582 -7.835 678 HA ALA 89 HA ALA 89 11.121 -1.156 -8.038 679 HB1 ALA 89 3HB ALA 89 8.510 0.310 -8.497 680 HB2 ALA 89 1HB ALA 89 9.118 -0.284 -6.949 681 HB3 ALA 89 2HB ALA 89 8.678 -1.426 -8.220 682 H GLU 90 H GLU 90 10.130 1.210 -10.469 683 HA GLU 90 HA GLU 90 9.861 -0.522 -12.695 684 HB2 GLU 90 2HB GLU 90 10.571 2.436 -12.536 685 HB3 GLU 90 3HB GLU 90 10.278 1.588 -14.058 686 HG2 GLU 90 2HG GLU 90 7.995 1.101 -13.410 687 HG3 GLU 90 3HG GLU 90 8.251 1.793 -11.811 688 H GLY 91 H GLY 91 12.610 0.833 -11.076 689 HA2 GLY 91 2HA GLY 91 14.535 0.172 -13.165 690 HA3 GLY 91 3HA GLY 91 14.867 0.901 -11.604 691 H LEU 92 H LEU 92 13.014 -1.652 -10.716 692 HA LEU 92 HA LEU 92 15.232 -3.169 -9.739 693 HB2 LEU 92 2HB LEU 92 12.265 -3.824 -9.816 694 HB3 LEU 92 3HB LEU 92 13.462 -4.843 -9.028 695 HG LEU 92 HG LEU 92 12.754 -1.993 -8.230 696 HD11 LEU 92 1HD1 LEU 92 11.817 -3.003 -6.196 697 HD12 LEU 92 2HD1 LEU 92 12.180 -4.614 -6.819 698 HD13 LEU 92 3HD1 LEU 92 10.996 -3.594 -7.640 699 HD21 LEU 92 3HD2 LEU 92 15.132 -2.427 -7.784 700 HD22 LEU 92 1HD2 LEU 92 14.715 -3.905 -6.909 701 HD23 LEU 92 2HD2 LEU 92 14.223 -2.331 -6.280 702 H GLU 93 H GLU 93 12.633 -4.108 -12.030 703 HA GLU 93 HA GLU 93 14.452 -6.106 -13.228 704 HB2 GLU 93 2HB GLU 93 12.147 -6.790 -14.399 705 HB3 GLU 93 3HB GLU 93 12.567 -7.352 -12.797 706 HG2 GLU 93 2HG GLU 93 10.251 -6.727 -12.819 707 HG3 GLU 93 3HG GLU 93 11.128 -5.595 -11.801 708 H HIS 94 H HIS 94 12.392 -3.354 -14.012 709 HA HIS 94 HA HIS 94 11.996 -2.124 -15.855 710 HB2 HIS 94 2HB HIS 94 14.204 -1.285 -14.937 711 HB3 HIS 94 3HB HIS 94 15.018 -2.223 -16.180 712 HD1 HIS 94 HD1 HIS 94 15.484 -0.952 -18.278 713 HD2 HIS 94 HD2 HIS 94 12.318 0.696 -16.155 714 HE1 HIS 94 HE1 HIS 94 14.865 1.142 -19.511 715 HE2 HIS 94 HE2 HIS 94 12.833 2.006 -18.317 716 H HIS 95 H HIS 95 10.967 -4.043 -16.820 717 HA HIS 95 HA HIS 95 12.195 -5.721 -18.689 718 HB2 HIS 95 2HB HIS 95 9.886 -6.263 -19.481 719 HB3 HIS 95 3HB HIS 95 10.064 -6.346 -17.736 720 HD1 HIS 95 HD1 HIS 95 9.092 -4.081 -16.440 721 HD2 HIS 95 HD2 HIS 95 7.687 -4.832 -20.271 722 HE1 HIS 95 HE1 HIS 95 6.981 -2.754 -16.648 723 HE2 HIS 95 HE2 HIS 95 6.164 -3.197 -18.991 724 H HIS 96 H HIS 96 13.230 -5.146 -20.451 725 HA HIS 96 HA HIS 96 13.144 -2.651 -21.736 726 HB2 HIS 96 2HB HIS 96 14.192 -5.324 -22.774 727 HB3 HIS 96 3HB HIS 96 14.489 -3.780 -23.559 728 HD1 HIS 96 HD1 HIS 96 16.636 -2.700 -22.928 729 HD2 HIS 96 HD2 HIS 96 15.367 -5.386 -20.025 730 HE1 HIS 96 HE1 HIS 96 18.519 -2.851 -21.284 731 HE2 HIS 96 HE2 HIS 96 17.790 -4.584 -19.623 732 H HIS 97 H HIS 97 11.530 -1.864 -22.864 733 HA HIS 97 HA HIS 97 9.440 -3.463 -24.069 734 HB2 HIS 97 2HB HIS 97 8.409 -1.223 -24.583 735 HB3 HIS 97 3HB HIS 97 8.791 -1.460 -22.884 736 HD1 HIS 97 HD1 HIS 97 9.483 0.767 -25.750 737 HD2 HIS 97 HD2 HIS 97 11.023 0.122 -21.951 738 HE1 HIS 97 HE1 HIS 97 10.857 2.798 -25.230 739 HE2 HIS 97 HE2 HIS 97 11.650 2.450 -22.872 740 H HIS 98 H HIS 98 12.420 -2.815 -25.181 741 HA HIS 98 HA HIS 98 11.621 -2.645 -28.028 742 HB2 HIS 98 2HB HIS 98 13.013 -0.738 -27.312 743 HB3 HIS 98 3HB HIS 98 14.234 -1.831 -26.680 744 HD1 HIS 98 HD1 HIS 98 16.117 -2.291 -28.218 745 HD2 HIS 98 HD2 HIS 98 12.730 -1.028 -30.271 746 HE1 HIS 98 HE1 HIS 98 16.816 -2.099 -30.613 747 HE2 HIS 98 HE2 HIS 98 14.756 -1.353 -31.848 748 H HIS 99 H HIS 99 11.479 -4.743 -28.662 749 HA HIS 99 HA HIS 99 13.909 -6.332 -28.801 750 HB2 HIS 99 2HB HIS 99 11.409 -7.394 -27.413 751 HB3 HIS 99 3HB HIS 99 12.582 -8.471 -28.157 752 HD1 HIS 99 HD1 HIS 99 11.771 -7.139 -24.973 753 HD2 HIS 99 HD2 HIS 99 15.343 -7.846 -26.981 754 HE1 HIS 99 HE1 HIS 99 13.531 -7.270 -23.196 755 HE2 HIS 99 HE2 HIS 99 15.697 -7.573 -24.444 Start of MODEL 4 1 H1 GLU 1 1H GLU 1 -13.795 -0.441 17.450 2 H2 GLU 1 2H GLU 1 -12.553 0.213 18.384 3 H3 GLU 1 3H GLU 1 -12.957 -1.419 18.540 4 HA GLU 1 HA GLU 1 -11.832 -0.139 16.128 5 HB2 GLU 1 2HB GLU 1 -10.556 -2.086 18.101 6 HB3 GLU 1 3HB GLU 1 -9.793 -1.457 16.641 7 HG2 GLU 1 2HG GLU 1 -9.818 0.813 17.562 8 HG3 GLU 1 3HG GLU 1 -10.659 0.246 19.006 9 H ASP 2 H ASP 2 -12.704 -1.120 14.407 10 HA ASP 2 HA ASP 2 -13.462 -4.003 14.473 11 HB2 ASP 2 2HB ASP 2 -14.650 -1.729 12.801 12 HB3 ASP 2 3HB ASP 2 -15.167 -3.411 12.734 13 HA PRO 3 HA PRO 3 -10.601 -4.466 10.968 14 HB2 PRO 3 2HB PRO 3 -11.662 -6.554 9.598 15 HB3 PRO 3 3HB PRO 3 -10.906 -6.769 11.180 16 HG2 PRO 3 2HG PRO 3 -13.842 -6.502 10.511 17 HG3 PRO 3 3HG PRO 3 -13.042 -7.690 11.566 18 HD2 PRO 3 2HD PRO 3 -14.285 -5.480 12.559 19 HD3 PRO 3 3HD PRO 3 -12.843 -6.176 13.332 20 H GLU 4 H GLU 4 -13.743 -3.353 10.670 21 HA GLU 4 HA GLU 4 -13.643 -2.652 7.841 22 HB2 GLU 4 2HB GLU 4 -15.601 -1.960 10.072 23 HB3 GLU 4 3HB GLU 4 -15.826 -1.537 8.375 24 HG2 GLU 4 2HG GLU 4 -15.973 -3.901 7.767 25 HG3 GLU 4 3HG GLU 4 -15.616 -4.379 9.427 26 H ASP 5 H ASP 5 -12.868 -1.279 10.966 27 HA ASP 5 HA ASP 5 -12.790 1.478 10.255 28 HB2 ASP 5 2HB ASP 5 -12.892 0.786 12.626 29 HB3 ASP 5 3HB ASP 5 -11.323 0.004 12.486 30 HA PRO 6 HA PRO 6 -9.388 1.465 7.345 31 HB2 PRO 6 2HB PRO 6 -8.901 4.177 8.625 32 HB3 PRO 6 3HB PRO 6 -8.899 3.729 6.910 33 HG2 PRO 6 2HG PRO 6 -11.031 4.912 7.950 34 HG3 PRO 6 3HG PRO 6 -11.237 3.555 6.817 35 HD2 PRO 6 2HD PRO 6 -11.558 3.594 9.806 36 HD3 PRO 6 3HD PRO 6 -12.450 2.662 8.584 37 H PHE 7 H PHE 7 -8.358 3.037 10.424 38 HA PHE 7 HA PHE 7 -5.656 2.228 10.113 39 HB2 PHE 7 2HB PHE 7 -6.261 4.259 11.372 40 HB3 PHE 7 3HB PHE 7 -7.042 3.278 12.607 41 HD1 PHE 7 HD1 PHE 7 -3.699 3.753 10.939 42 HD2 PHE 7 HD2 PHE 7 -5.765 2.627 14.518 43 HE1 PHE 7 HE1 PHE 7 -1.553 3.575 12.135 44 HE2 PHE 7 HE2 PHE 7 -3.613 2.458 15.701 45 HZ PHE 7 HZ PHE 7 -1.504 2.930 14.511 46 H THR 8 H THR 8 -8.389 0.738 11.869 47 HA THR 8 HA THR 8 -6.827 -0.971 13.521 48 HB THR 8 HB THR 8 -9.690 -1.450 12.571 49 HG1 THR 8 HG1 THR 8 -8.632 0.377 14.273 50 HG21 THR 8 3HG2 THR 8 -8.215 -2.599 14.981 51 HG22 THR 8 1HG2 THR 8 -8.689 -3.500 13.542 52 HG23 THR 8 2HG2 THR 8 -9.925 -2.836 14.613 53 H ARG 9 H ARG 9 -8.382 -1.558 10.334 54 HA ARG 9 HA ARG 9 -7.456 -4.275 10.072 55 HB2 ARG 9 2HB ARG 9 -8.396 -4.187 7.809 56 HB3 ARG 9 3HB ARG 9 -9.515 -3.450 8.949 57 HG2 ARG 9 2HG ARG 9 -8.047 -1.264 8.100 58 HG3 ARG 9 3HG ARG 9 -8.097 -2.248 6.646 59 HD2 ARG 9 2HD ARG 9 -10.601 -1.572 8.195 60 HD3 ARG 9 3HD ARG 9 -9.920 -0.462 7.011 61 HE ARG 9 HE ARG 9 -10.643 -3.199 6.192 62 HH11 ARG 9 1HH1 ARG 9 -11.251 0.265 6.043 63 HH12 ARG 9 2HH1 ARG 9 -12.332 0.149 4.696 64 HH21 ARG 9 1HH2 ARG 9 -12.112 -3.309 4.421 65 HH22 ARG 9 2HH2 ARG 9 -12.791 -1.863 3.769 66 H TYR 10 H TYR 10 -6.208 -1.135 9.190 67 HA TYR 10 HA TYR 10 -4.126 -1.882 7.395 68 HB2 TYR 10 2HB TYR 10 -4.918 0.402 7.482 69 HB3 TYR 10 3HB TYR 10 -4.562 0.532 9.197 70 HD1 TYR 10 HD1 TYR 10 -2.682 -0.244 6.004 71 HD2 TYR 10 HD2 TYR 10 -2.710 1.854 9.727 72 HE1 TYR 10 HE1 TYR 10 -0.529 0.806 5.440 73 HE2 TYR 10 HE2 TYR 10 -0.569 2.893 9.157 74 HH TYR 10 HH TYR 10 1.324 2.526 7.757 75 H ALA 11 H ALA 11 -4.165 -1.172 10.847 76 HA ALA 11 HA ALA 11 -1.418 -1.697 11.367 77 HB1 ALA 11 3HB ALA 11 -2.064 -1.470 13.740 78 HB2 ALA 11 1HB ALA 11 -3.770 -1.503 13.284 79 HB3 ALA 11 2HB ALA 11 -2.742 -0.164 12.767 80 H LEU 12 H LEU 12 -4.409 -3.557 11.594 81 HA LEU 12 HA LEU 12 -3.538 -5.919 12.824 82 HB2 LEU 12 2HB LEU 12 -5.916 -5.379 12.400 83 HB3 LEU 12 3HB LEU 12 -5.655 -5.520 10.672 84 HG LEU 12 HG LEU 12 -5.211 -7.969 10.960 85 HD11 LEU 12 1HD1 LEU 12 -5.757 -9.101 13.070 86 HD12 LEU 12 2HD1 LEU 12 -5.992 -7.541 13.861 87 HD13 LEU 12 3HD1 LEU 12 -4.394 -7.999 13.268 88 HD21 LEU 12 3HD2 LEU 12 -7.548 -8.632 11.379 89 HD22 LEU 12 1HD2 LEU 12 -7.456 -7.206 10.345 90 HD23 LEU 12 2HD2 LEU 12 -7.889 -7.035 12.048 91 H ALA 13 H ALA 13 -3.671 -4.974 9.408 92 HA ALA 13 HA ALA 13 -2.634 -7.274 8.202 93 HB1 ALA 13 3HB ALA 13 -3.770 -5.475 6.966 94 HB2 ALA 13 1HB ALA 13 -2.194 -5.837 6.257 95 HB3 ALA 13 2HB ALA 13 -2.405 -4.397 7.258 96 H GLN 14 H GLN 14 -0.978 -4.391 9.462 97 HA GLN 14 HA GLN 14 1.651 -5.184 8.715 98 HB2 GLN 14 2HB GLN 14 0.735 -3.199 10.830 99 HB3 GLN 14 3HB GLN 14 2.396 -3.366 10.249 100 HG2 GLN 14 2HG GLN 14 1.718 -2.704 7.997 101 HG3 GLN 14 3HG GLN 14 0.027 -2.638 8.486 102 HE21 GLN 14 1HE2 GLN 14 -0.636 -0.951 9.893 103 HE22 GLN 14 2HE2 GLN 14 0.281 0.505 10.046 104 H GLU 15 H GLU 15 -0.307 -5.866 11.608 105 HA GLU 15 HA GLU 15 1.761 -7.088 13.149 106 HB2 GLU 15 2HB GLU 15 -1.215 -7.782 13.200 107 HB3 GLU 15 3HB GLU 15 -0.032 -8.212 14.429 108 HG2 GLU 15 2HG GLU 15 -1.124 -5.468 13.782 109 HG3 GLU 15 3HG GLU 15 -1.340 -6.398 15.260 110 H HIS 16 H HIS 16 -0.552 -8.317 10.735 111 HA HIS 16 HA HIS 16 0.161 -11.026 10.707 112 HB2 HIS 16 2HB HIS 16 -0.902 -9.282 8.444 113 HB3 HIS 16 3HB HIS 16 -0.677 -11.019 8.288 114 HD1 HIS 16 HD1 HIS 16 -2.079 -12.419 10.300 115 HD2 HIS 16 HD2 HIS 16 -3.439 -8.660 9.175 116 HE1 HIS 16 HE1 HIS 16 -4.487 -12.330 10.994 117 HE2 HIS 16 HE2 HIS 16 -5.267 -10.028 10.366 118 H LEU 17 H LEU 17 1.578 -8.268 8.913 119 HA LEU 17 HA LEU 17 3.450 -9.688 7.371 120 HB2 LEU 17 2HB LEU 17 3.459 -6.836 8.412 121 HB3 LEU 17 3HB LEU 17 4.695 -7.445 7.317 122 HG LEU 17 HG LEU 17 1.720 -7.336 6.671 123 HD11 LEU 17 1HD1 LEU 17 2.256 -5.500 5.132 124 HD12 LEU 17 2HD1 LEU 17 3.930 -5.508 5.695 125 HD13 LEU 17 3HD1 LEU 17 2.626 -5.072 6.802 126 HD21 LEU 17 3HD2 LEU 17 2.857 -9.160 5.490 127 HD22 LEU 17 1HD2 LEU 17 4.077 -8.036 4.886 128 HD23 LEU 17 2HD2 LEU 17 2.397 -7.884 4.369 129 H LYS 18 H LYS 18 3.703 -8.381 10.683 130 HA LYS 18 HA LYS 18 6.422 -8.914 11.207 131 HB2 LYS 18 2HB LYS 18 4.053 -8.990 13.118 132 HB3 LYS 18 3HB LYS 18 5.742 -8.959 13.627 133 HG2 LYS 18 2HG LYS 18 6.026 -6.725 12.688 134 HG3 LYS 18 3HG LYS 18 4.388 -6.767 12.027 135 HD2 LYS 18 2HD LYS 18 3.461 -6.888 14.315 136 HD3 LYS 18 3HD LYS 18 5.097 -6.857 14.981 137 HE2 LYS 18 2HE LYS 18 5.435 -4.599 14.041 138 HE3 LYS 18 3HE LYS 18 3.803 -4.635 13.362 139 HZ1 LYS 18 3HZ LYS 18 2.903 -4.781 15.574 140 HZ2 LYS 18 1HZ LYS 18 3.919 -3.427 15.466 141 HZ3 LYS 18 2HZ LYS 18 4.455 -4.827 16.249 142 H HIS 19 H HIS 19 3.583 -10.981 11.301 143 HA HIS 19 HA HIS 19 5.014 -13.267 12.485 144 HB2 HIS 19 2HB HIS 19 2.088 -12.973 11.694 145 HB3 HIS 19 3HB HIS 19 2.783 -14.329 12.575 146 HD1 HIS 19 HD1 HIS 19 0.863 -11.452 13.169 147 HD2 HIS 19 HD2 HIS 19 4.095 -13.166 15.135 148 HE1 HIS 19 HE1 HIS 19 0.739 -10.608 15.516 149 HE2 HIS 19 HE2 HIS 19 2.806 -11.501 16.634 150 H ASP 20 H ASP 20 4.916 -12.061 9.475 151 HA ASP 20 HA ASP 20 5.282 -12.784 7.380 152 HB2 ASP 20 2HB ASP 20 6.942 -14.314 8.524 153 HB3 ASP 20 3HB ASP 20 5.714 -15.572 8.552 154 H ASN 21 H ASN 21 2.570 -13.197 8.837 155 HA ASN 21 HA ASN 21 1.091 -14.865 6.971 156 HB2 ASN 21 2HB ASN 21 0.144 -12.932 9.136 157 HB3 ASN 21 3HB ASN 21 -0.932 -13.934 8.165 158 HD21 ASN 21 1HD2 ASN 21 -0.951 -16.187 8.522 159 HD22 ASN 21 2HD2 ASN 21 -0.311 -16.881 9.968 160 H ALA 22 H ALA 22 2.415 -13.444 5.363 161 HA ALA 22 HA ALA 22 1.720 -10.769 4.791 162 HB1 ALA 22 3HB ALA 22 3.853 -11.736 4.116 163 HB2 ALA 22 1HB ALA 22 2.984 -11.141 2.704 164 HB3 ALA 22 2HB ALA 22 3.031 -12.869 3.045 165 H SER 23 H SER 23 0.520 -13.864 3.579 166 HA SER 23 HA SER 23 -1.184 -13.079 1.549 167 HB2 SER 23 2HB SER 23 -0.702 -15.427 2.047 168 HB3 SER 23 3HB SER 23 -1.559 -15.318 3.584 169 HG SER 23 HG SER 23 -2.510 -15.783 1.103 170 H ARG 24 H ARG 24 -1.866 -13.179 5.063 171 HA ARG 24 HA ARG 24 -4.625 -12.443 4.856 172 HB2 ARG 24 2HB ARG 24 -2.765 -12.247 7.270 173 HB3 ARG 24 3HB ARG 24 -4.526 -12.233 7.309 174 HG2 ARG 24 2HG ARG 24 -2.769 -14.572 6.495 175 HG3 ARG 24 3HG ARG 24 -3.650 -14.399 8.015 176 HD2 ARG 24 2HD ARG 24 -5.789 -14.423 6.762 177 HD3 ARG 24 3HD ARG 24 -4.895 -14.625 5.252 178 HE ARG 24 HE ARG 24 -4.026 -16.762 6.268 179 HH11 ARG 24 1HH1 ARG 24 -7.159 -15.506 7.258 180 HH12 ARG 24 2HH1 ARG 24 -7.783 -17.075 7.650 181 HH21 ARG 24 1HH2 ARG 24 -4.876 -18.801 6.799 182 HH22 ARG 24 2HH2 ARG 24 -6.497 -18.932 7.403 183 H ALA 25 H ALA 25 -1.599 -10.729 5.391 184 HA ALA 25 HA ALA 25 -2.609 -8.136 5.954 185 HB1 ALA 25 3HB ALA 25 -0.327 -7.384 5.423 186 HB2 ALA 25 1HB ALA 25 0.037 -8.959 4.710 187 HB3 ALA 25 2HB ALA 25 -0.295 -8.825 6.437 188 H LEU 26 H LEU 26 -1.751 -9.832 3.007 189 HA LEU 26 HA LEU 26 -1.744 -7.748 1.123 190 HB2 LEU 26 2HB LEU 26 -0.806 -10.082 0.832 191 HB3 LEU 26 3HB LEU 26 -2.447 -10.681 0.688 192 HG LEU 26 HG LEU 26 -2.719 -9.247 -1.376 193 HD11 LEU 26 1HD1 LEU 26 -0.706 -8.380 -2.486 194 HD12 LEU 26 2HD1 LEU 26 0.263 -8.799 -1.072 195 HD13 LEU 26 3HD1 LEU 26 -1.001 -7.574 -0.949 196 HD21 LEU 26 3HD2 LEU 26 -1.440 -10.743 -2.859 197 HD22 LEU 26 1HD2 LEU 26 -2.230 -11.646 -1.570 198 HD23 LEU 26 2HD2 LEU 26 -0.497 -11.318 -1.483 199 H ALA 27 H ALA 27 -4.203 -10.127 1.967 200 HA ALA 27 HA ALA 27 -6.386 -9.252 0.499 201 HB1 ALA 27 3HB ALA 27 -7.747 -10.538 2.091 202 HB2 ALA 27 1HB ALA 27 -6.393 -10.594 3.224 203 HB3 ALA 27 2HB ALA 27 -6.275 -11.412 1.663 204 H LEU 28 H LEU 28 -5.426 -8.268 3.826 205 HA LEU 28 HA LEU 28 -7.658 -6.591 4.338 206 HB2 LEU 28 2HB LEU 28 -4.923 -6.793 5.603 207 HB3 LEU 28 3HB LEU 28 -6.079 -5.583 6.143 208 HG LEU 28 HG LEU 28 -6.603 -8.580 6.192 209 HD11 LEU 28 1HD1 LEU 28 -4.817 -7.994 7.753 210 HD12 LEU 28 2HD1 LEU 28 -6.286 -8.435 8.622 211 HD13 LEU 28 3HD1 LEU 28 -5.828 -6.736 8.468 212 HD21 LEU 28 3HD2 LEU 28 -8.544 -7.986 7.606 213 HD22 LEU 28 1HD2 LEU 28 -8.672 -7.271 6.000 214 HD23 LEU 28 2HD2 LEU 28 -8.195 -6.271 7.375 215 H PHE 29 H PHE 29 -4.491 -5.871 2.935 216 HA PHE 29 HA PHE 29 -4.858 -3.038 2.841 217 HB2 PHE 29 2HB PHE 29 -2.963 -4.860 1.324 218 HB3 PHE 29 3HB PHE 29 -2.960 -3.113 1.139 219 HD1 PHE 29 HD1 PHE 29 -3.190 -2.099 3.879 220 HD2 PHE 29 HD2 PHE 29 -0.959 -5.445 2.409 221 HE1 PHE 29 HE1 PHE 29 -1.592 -1.868 5.740 222 HE2 PHE 29 HE2 PHE 29 0.622 -5.207 4.277 223 HZ PHE 29 HZ PHE 29 0.307 -3.422 5.944 224 H GLU 30 H GLU 30 -5.376 -5.672 0.464 225 HA GLU 30 HA GLU 30 -6.414 -4.053 -1.619 226 HB2 GLU 30 2HB GLU 30 -6.751 -7.002 -0.983 227 HB3 GLU 30 3HB GLU 30 -7.443 -6.260 -2.425 228 HG2 GLU 30 2HG GLU 30 -5.190 -5.583 -3.175 229 HG3 GLU 30 3HG GLU 30 -4.498 -6.312 -1.719 230 H GLU 31 H GLU 31 -7.846 -5.359 1.286 231 HA GLU 31 HA GLU 31 -10.612 -4.978 0.677 232 HB2 GLU 31 2HB GLU 31 -9.902 -6.551 2.411 233 HB3 GLU 31 3HB GLU 31 -9.020 -5.298 3.263 234 HG2 GLU 31 2HG GLU 31 -11.032 -5.892 4.466 235 HG3 GLU 31 3HG GLU 31 -11.124 -4.226 3.904 236 H LEU 32 H LEU 32 -8.059 -3.153 2.257 237 HA LEU 32 HA LEU 32 -9.479 -0.865 3.045 238 HB2 LEU 32 2HB LEU 32 -6.640 -1.669 2.773 239 HB3 LEU 32 3HB LEU 32 -6.888 0.051 2.569 240 HG LEU 32 HG LEU 32 -7.877 -1.466 5.002 241 HD11 LEU 32 1HD1 LEU 32 -5.433 -1.668 4.876 242 HD12 LEU 32 2HD1 LEU 32 -5.928 -0.623 6.204 243 HD13 LEU 32 3HD1 LEU 32 -5.288 0.087 4.722 244 HD21 LEU 32 3HD2 LEU 32 -9.039 0.664 4.561 245 HD22 LEU 32 1HD2 LEU 32 -7.488 1.512 4.493 246 HD23 LEU 32 2HD2 LEU 32 -8.037 0.782 6.004 247 H VAL 33 H VAL 33 -7.619 -1.531 0.032 248 HA VAL 33 HA VAL 33 -7.901 1.032 -1.098 249 HB VAL 33 HB VAL 33 -7.439 -1.660 -2.475 250 HG11 VAL 33 1HG1 VAL 33 -7.139 1.119 -3.688 251 HG12 VAL 33 2HG1 VAL 33 -8.342 -0.090 -4.136 252 HG13 VAL 33 3HG1 VAL 33 -6.636 -0.394 -4.450 253 HG21 VAL 33 3HG2 VAL 33 -5.644 -1.006 -0.922 254 HG22 VAL 33 1HG2 VAL 33 -5.481 0.551 -1.735 255 HG23 VAL 33 2HG2 VAL 33 -5.073 -0.941 -2.587 256 H GLU 34 H GLU 34 -9.799 -1.944 -1.701 257 HA GLU 34 HA GLU 34 -11.510 -0.880 -3.637 258 HB2 GLU 34 2HB GLU 34 -12.885 -2.869 -3.351 259 HB3 GLU 34 3HB GLU 34 -11.178 -3.290 -3.321 260 HG2 GLU 34 2HG GLU 34 -11.276 -3.439 -0.847 261 HG3 GLU 34 3HG GLU 34 -12.999 -3.078 -0.902 262 H THR 35 H THR 35 -11.911 -0.878 -0.078 263 HA THR 35 HA THR 35 -14.605 0.294 -0.322 264 HB THR 35 HB THR 35 -14.683 0.053 2.162 265 HG1 THR 35 HG1 THR 35 -12.342 0.262 2.435 266 HG21 THR 35 3HG2 THR 35 -14.714 -2.406 2.261 267 HG22 THR 35 1HG2 THR 35 -13.796 -2.491 0.755 268 HG23 THR 35 2HG2 THR 35 -15.436 -1.837 0.755 269 H ASP 36 H ASP 36 -11.344 1.223 0.498 270 HA ASP 36 HA ASP 36 -12.100 4.010 1.128 271 HB2 ASP 36 2HB ASP 36 -10.284 2.233 2.837 272 HB3 ASP 36 3HB ASP 36 -10.330 3.987 2.980 273 HA PRO 37 HA PRO 37 -8.494 3.617 -1.860 274 HB2 PRO 37 2HB PRO 37 -9.417 5.260 -3.818 275 HB3 PRO 37 3HB PRO 37 -9.935 3.570 -3.695 276 HG2 PRO 37 2HG PRO 37 -11.352 6.059 -2.736 277 HG3 PRO 37 3HG PRO 37 -12.008 4.681 -3.652 278 HD2 PRO 37 2HD PRO 37 -12.302 4.914 -0.946 279 HD3 PRO 37 3HD PRO 37 -12.178 3.337 -1.756 280 H ASP 38 H ASP 38 -9.920 6.019 0.028 281 HA ASP 38 HA ASP 38 -8.188 8.236 -0.629 282 HB2 ASP 38 2HB ASP 38 -9.292 9.423 1.160 283 HB3 ASP 38 3HB ASP 38 -10.533 8.501 0.322 284 H TYR 39 H TYR 39 -8.129 5.471 1.551 285 HA TYR 39 HA TYR 39 -6.215 6.475 3.399 286 HB2 TYR 39 2HB TYR 39 -7.848 4.406 3.647 287 HB3 TYR 39 3HB TYR 39 -6.540 3.490 2.907 288 HD1 TYR 39 HD2 TYR 39 -4.353 3.215 4.151 289 HD2 TYR 39 HD1 TYR 39 -7.641 5.282 5.916 290 HE1 TYR 39 HE2 TYR 39 -3.280 3.058 6.354 291 HE2 TYR 39 HE1 TYR 39 -6.553 5.138 8.105 292 HH TYR 39 HH TYR 39 -3.326 4.206 8.524 293 H VAL 40 H VAL 40 -4.430 7.233 2.533 294 HA VAL 40 HA VAL 40 -3.132 6.312 0.174 295 HB VAL 40 HB VAL 40 -2.008 8.168 2.323 296 HG11 VAL 40 1HG1 VAL 40 -0.703 9.146 0.465 297 HG12 VAL 40 2HG1 VAL 40 -1.355 7.930 -0.637 298 HG13 VAL 40 3HG1 VAL 40 -0.320 7.442 0.708 299 HG21 VAL 40 3HG2 VAL 40 -3.753 8.883 -0.071 300 HG22 VAL 40 1HG2 VAL 40 -2.973 10.039 1.011 301 HG23 VAL 40 2HG2 VAL 40 -4.228 8.965 1.627 302 H GLY 41 H GLY 41 -2.589 5.779 3.608 303 HA2 GLY 41 2HA GLY 41 0.068 4.817 3.598 304 HA3 GLY 41 3HA GLY 41 -1.132 4.516 4.846 305 H THR 42 H THR 42 -2.998 3.248 2.993 306 HA THR 42 HA THR 42 -2.330 0.551 3.104 307 HB THR 42 HB THR 42 -4.199 1.928 1.116 308 HG1 THR 42 HG1 THR 42 -5.717 1.775 2.663 309 HG21 THR 42 3HG2 THR 42 -5.347 -0.260 1.045 310 HG22 THR 42 1HG2 THR 42 -4.092 -0.953 2.076 311 HG23 THR 42 2HG2 THR 42 -3.691 -0.383 0.452 312 H TYR 43 H TYR 43 -2.202 2.804 0.329 313 HA TYR 43 HA TYR 43 -1.554 0.986 -1.672 314 HB2 TYR 43 2HB TYR 43 -1.028 3.973 -1.481 315 HB3 TYR 43 3HB TYR 43 -0.738 3.043 -2.947 316 HD1 TYR 43 HD1 TYR 43 -2.631 2.093 -4.232 317 HD2 TYR 43 HD2 TYR 43 -3.339 4.526 -0.790 318 HE1 TYR 43 HE1 TYR 43 -4.949 2.430 -4.948 319 HE2 TYR 43 HE2 TYR 43 -5.662 4.853 -1.523 320 HH TYR 43 HH TYR 43 -6.937 4.793 -3.606 321 H TYR 44 H TYR 44 0.618 3.091 0.198 322 HA TYR 44 HA TYR 44 3.058 2.371 -0.788 323 HB2 TYR 44 2HB TYR 44 2.581 4.152 0.905 324 HB3 TYR 44 3HB TYR 44 2.384 2.909 2.135 325 HD1 TYR 44 HD2 TYR 44 4.922 3.867 -0.487 326 HD2 TYR 44 HD1 TYR 44 4.258 2.607 3.542 327 HE1 TYR 44 HE2 TYR 44 7.335 3.990 -0.042 328 HE2 TYR 44 HE1 TYR 44 6.669 2.732 3.977 329 HH TYR 44 HH TYR 44 8.787 4.342 2.045 330 H HIS 45 H HIS 45 1.628 0.887 2.142 331 HA HIS 45 HA HIS 45 3.605 -1.132 2.397 332 HB2 HIS 45 2HB HIS 45 0.862 -0.879 3.682 333 HB3 HIS 45 3HB HIS 45 2.016 -2.144 4.111 334 HD1 HIS 45 HD1 HIS 45 3.661 -1.560 5.875 335 HD2 HIS 45 HD2 HIS 45 1.969 1.821 4.178 336 HE1 HIS 45 HE1 HIS 45 4.552 0.368 7.200 337 HE2 HIS 45 HE2 HIS 45 3.384 2.386 6.256 338 H LEU 46 H LEU 46 0.559 -1.148 0.680 339 HA LEU 46 HA LEU 46 0.361 -3.972 0.262 340 HB2 LEU 46 2HB LEU 46 -1.611 -2.510 0.076 341 HB3 LEU 46 3HB LEU 46 -0.877 -1.648 -1.265 342 HG LEU 46 HG LEU 46 -1.055 -3.642 -2.699 343 HD11 LEU 46 1HD1 LEU 46 -2.376 -5.062 -0.364 344 HD12 LEU 46 2HD1 LEU 46 -0.778 -5.417 -1.014 345 HD13 LEU 46 3HD1 LEU 46 -2.205 -5.688 -2.006 346 HD21 LEU 46 3HD2 LEU 46 -3.695 -2.987 -1.346 347 HD22 LEU 46 1HD2 LEU 46 -3.503 -3.748 -2.930 348 HD23 LEU 46 2HD2 LEU 46 -2.955 -2.093 -2.678 349 H GLY 47 H GLY 47 1.751 -1.244 -1.540 350 HA2 GLY 47 2HA GLY 47 2.510 -2.707 -3.879 351 HA3 GLY 47 3HA GLY 47 3.060 -1.107 -3.409 352 H LYS 48 H LYS 48 4.167 -1.746 -0.893 353 HA LYS 48 HA LYS 48 6.776 -2.622 -1.509 354 HB2 LYS 48 2HB LYS 48 5.409 -2.461 1.214 355 HB3 LYS 48 3HB LYS 48 7.135 -2.700 0.981 356 HG2 LYS 48 2HG LYS 48 5.549 -0.218 0.248 357 HG3 LYS 48 3HG LYS 48 6.633 -0.398 1.619 358 HD2 LYS 48 2HD LYS 48 7.456 -0.451 -1.312 359 HD3 LYS 48 3HD LYS 48 7.633 0.919 -0.221 360 HE2 LYS 48 2HE LYS 48 9.786 -0.077 -0.366 361 HE3 LYS 48 3HE LYS 48 9.146 -0.577 1.195 362 HZ1 LYS 48 3HZ LYS 48 8.699 -2.731 0.345 363 HZ2 LYS 48 1HZ LYS 48 10.277 -2.340 -0.104 364 HZ3 LYS 48 2HZ LYS 48 9.031 -2.259 -1.244 365 H LEU 49 H LEU 49 3.955 -4.243 -0.187 366 HA LEU 49 HA LEU 49 5.205 -6.746 0.372 367 HB2 LEU 49 2HB LEU 49 3.113 -5.964 1.454 368 HB3 LEU 49 3HB LEU 49 2.269 -6.095 -0.081 369 HG LEU 49 HG LEU 49 2.489 -8.528 -0.070 370 HD11 LEU 49 1HD1 LEU 49 3.563 -9.769 1.754 371 HD12 LEU 49 2HD1 LEU 49 4.090 -8.262 2.501 372 HD13 LEU 49 3HD1 LEU 49 4.726 -8.742 0.926 373 HD21 LEU 49 3HD2 LEU 49 1.132 -9.087 1.910 374 HD22 LEU 49 1HD2 LEU 49 0.582 -7.586 1.168 375 HD23 LEU 49 2HD2 LEU 49 1.546 -7.536 2.647 376 H TYR 50 H TYR 50 3.385 -5.445 -2.418 377 HA TYR 50 HA TYR 50 3.401 -7.724 -4.062 378 HB2 TYR 50 2HB TYR 50 3.338 -4.761 -4.717 379 HB3 TYR 50 3HB TYR 50 3.359 -5.967 -5.995 380 HD1 TYR 50 HD2 TYR 50 1.546 -8.051 -4.746 381 HD2 TYR 50 HD1 TYR 50 1.157 -3.797 -5.023 382 HE1 TYR 50 HE2 TYR 50 -0.896 -8.260 -4.679 383 HE2 TYR 50 HE1 TYR 50 -1.287 -4.024 -4.963 384 HH TYR 50 HH TYR 50 -2.832 -6.895 -4.048 385 H GLU 51 H GLU 51 5.922 -5.267 -3.533 386 HA GLU 51 HA GLU 51 7.723 -6.120 -5.550 387 HB2 GLU 51 2HB GLU 51 8.278 -4.707 -2.915 388 HB3 GLU 51 3HB GLU 51 9.483 -4.944 -4.180 389 HG2 GLU 51 2HG GLU 51 8.076 -3.617 -5.741 390 HG3 GLU 51 3HG GLU 51 6.915 -3.345 -4.439 391 H ARG 52 H ARG 52 7.233 -7.217 -2.208 392 HA ARG 52 HA ARG 52 9.384 -9.093 -2.089 393 HB2 ARG 52 2HB ARG 52 6.710 -9.086 -0.629 394 HB3 ARG 52 3HB ARG 52 8.056 -10.151 -0.234 395 HG2 ARG 52 2HG ARG 52 9.427 -8.225 0.415 396 HG3 ARG 52 3HG ARG 52 8.125 -7.122 -0.054 397 HD2 ARG 52 2HD ARG 52 6.671 -8.064 1.677 398 HD3 ARG 52 3HD ARG 52 7.911 -9.240 2.114 399 HE ARG 52 HE ARG 52 9.185 -7.549 3.111 400 HH11 ARG 52 1HH1 ARG 52 6.214 -6.186 1.809 401 HH12 ARG 52 2HH1 ARG 52 6.233 -4.824 2.879 402 HH21 ARG 52 1HH2 ARG 52 9.201 -5.768 4.487 403 HH22 ARG 52 2HH2 ARG 52 7.942 -4.575 4.389 404 H LEU 53 H LEU 53 6.046 -9.268 -3.219 405 HA LEU 53 HA LEU 53 6.056 -12.131 -3.667 406 HB2 LEU 53 2HB LEU 53 4.024 -10.008 -4.433 407 HB3 LEU 53 3HB LEU 53 3.756 -11.744 -4.490 408 HG LEU 53 HG LEU 53 4.267 -10.144 -1.954 409 HD11 LEU 53 1HD1 LEU 53 1.664 -11.275 -3.011 410 HD12 LEU 53 2HD1 LEU 53 2.110 -9.568 -2.922 411 HD13 LEU 53 3HD1 LEU 53 1.895 -10.497 -1.441 412 HD21 LEU 53 3HD2 LEU 53 3.629 -12.197 -0.741 413 HD22 LEU 53 1HD2 LEU 53 5.069 -12.456 -1.725 414 HD23 LEU 53 2HD2 LEU 53 3.506 -13.071 -2.271 415 H ASP 54 H ASP 54 7.678 -9.911 -5.352 416 HA ASP 54 HA ASP 54 8.391 -9.506 -7.449 417 HB2 ASP 54 2HB ASP 54 7.489 -12.374 -7.918 418 HB3 ASP 54 3HB ASP 54 8.478 -11.453 -9.043 419 H ARG 55 H ARG 55 5.472 -9.123 -6.773 420 HA ARG 55 HA ARG 55 4.152 -9.055 -9.390 421 HB2 ARG 55 2HB ARG 55 3.142 -8.246 -6.617 422 HB3 ARG 55 3HB ARG 55 2.168 -8.273 -8.083 423 HG2 ARG 55 2HG ARG 55 3.398 -10.676 -6.697 424 HG3 ARG 55 3HG ARG 55 1.692 -10.221 -6.699 425 HD2 ARG 55 2HD ARG 55 3.347 -11.142 -9.071 426 HD3 ARG 55 3HD ARG 55 2.025 -12.016 -8.295 427 HE ARG 55 HE ARG 55 1.034 -9.549 -9.175 428 HH11 ARG 55 1HH1 ARG 55 2.175 -12.557 -10.592 429 HH12 ARG 55 2HH1 ARG 55 1.294 -12.321 -12.065 430 HH21 ARG 55 1HH2 ARG 55 -0.064 -9.244 -11.097 431 HH22 ARG 55 2HH2 ARG 55 0.016 -10.440 -12.354 432 H THR 56 H THR 56 6.082 -7.554 -9.927 433 HA THR 56 HA THR 56 6.345 -5.001 -8.755 434 HB THR 56 HB THR 56 7.265 -5.871 -11.528 435 HG1 THR 56 HG1 THR 56 8.156 -6.516 -8.945 436 HG21 THR 56 3HG2 THR 56 7.557 -3.451 -11.098 437 HG22 THR 56 1HG2 THR 56 9.113 -4.278 -11.138 438 HG23 THR 56 2HG2 THR 56 8.404 -3.812 -9.591 439 H ASP 57 H ASP 57 4.537 -6.130 -11.599 440 HA ASP 57 HA ASP 57 3.749 -3.645 -12.680 441 HB2 ASP 57 2HB ASP 57 2.487 -6.413 -12.768 442 HB3 ASP 57 3HB ASP 57 1.685 -5.037 -13.519 443 H ASP 58 H ASP 58 2.286 -5.703 -10.233 444 HA ASP 58 HA ASP 58 -0.049 -4.174 -9.763 445 HB2 ASP 58 2HB ASP 58 1.397 -6.168 -7.961 446 HB3 ASP 58 3HB ASP 58 -0.251 -5.585 -7.715 447 H ALA 59 H ALA 59 3.191 -4.213 -8.311 448 HA ALA 59 HA ALA 59 2.778 -2.475 -6.154 449 HB1 ALA 59 3HB ALA 59 4.809 -3.841 -6.377 450 HB2 ALA 59 1HB ALA 59 5.219 -2.135 -6.168 451 HB3 ALA 59 2HB ALA 59 5.321 -2.879 -7.765 452 H ILE 60 H ILE 60 3.990 -1.745 -9.450 453 HA ILE 60 HA ILE 60 4.281 1.038 -9.142 454 HB ILE 60 HB ILE 60 3.771 -0.451 -11.765 455 HG12 ILE 60 2HG1 ILE 60 5.703 -1.474 -10.660 456 HG13 ILE 60 3HG1 ILE 60 6.284 -0.497 -12.000 457 HG21 ILE 60 1HG2 ILE 60 4.985 1.429 -12.849 458 HG22 ILE 60 2HG2 ILE 60 5.093 2.254 -11.292 459 HG23 ILE 60 3HG2 ILE 60 3.517 1.976 -12.036 460 HD11 ILE 60 3HD1 ILE 60 6.375 0.247 -9.075 461 HD12 ILE 60 1HD1 ILE 60 6.914 1.271 -10.411 462 HD13 ILE 60 2HD1 ILE 60 7.723 -0.260 -10.091 463 H ASP 61 H ASP 61 1.554 -0.905 -10.323 464 HA ASP 61 HA ASP 61 -0.181 1.174 -11.144 465 HB2 ASP 61 2HB ASP 61 -0.542 -1.179 -11.804 466 HB3 ASP 61 3HB ASP 61 -0.835 -1.630 -10.128 467 H THR 62 H THR 62 0.187 -0.496 -8.045 468 HA THR 62 HA THR 62 -1.950 0.742 -6.652 469 HB THR 62 HB THR 62 0.555 -0.630 -5.554 470 HG1 THR 62 HG1 THR 62 -1.010 -1.817 -6.992 471 HG21 THR 62 3HG2 THR 62 -0.800 -1.061 -3.526 472 HG22 THR 62 1HG2 THR 62 -2.113 -0.094 -4.192 473 HG23 THR 62 2HG2 THR 62 -0.572 0.671 -3.789 474 H TYR 63 H TYR 63 1.512 1.508 -6.954 475 HA TYR 63 HA TYR 63 1.568 3.659 -5.087 476 HB2 TYR 63 2HB TYR 63 3.411 3.041 -7.426 477 HB3 TYR 63 3HB TYR 63 3.711 4.328 -6.259 478 HD1 TYR 63 HD1 TYR 63 2.951 2.945 -3.698 479 HD2 TYR 63 HD2 TYR 63 5.219 1.552 -7.040 480 HE1 TYR 63 HE1 TYR 63 4.171 1.400 -2.234 481 HE2 TYR 63 HE2 TYR 63 6.427 0.008 -5.573 482 HH TYR 63 HH TYR 63 6.954 -0.315 -3.305 483 H ALA 64 H ALA 64 1.160 3.542 -8.632 484 HA ALA 64 HA ALA 64 1.059 6.237 -9.255 485 HB1 ALA 64 3HB ALA 64 1.125 4.435 -10.943 486 HB2 ALA 64 1HB ALA 64 -0.181 5.575 -11.281 487 HB3 ALA 64 2HB ALA 64 -0.541 4.006 -10.555 488 H GLN 65 H GLN 65 -1.678 4.103 -8.403 489 HA GLN 65 HA GLN 65 -3.698 6.100 -8.387 490 HB2 GLN 65 2HB GLN 65 -3.628 3.303 -8.076 491 HB3 GLN 65 3HB GLN 65 -4.193 3.849 -6.514 492 HG2 GLN 65 2HG GLN 65 -5.508 4.600 -9.143 493 HG3 GLN 65 3HG GLN 65 -5.978 3.212 -8.175 494 HE21 GLN 65 1HE2 GLN 65 -5.316 6.635 -7.216 495 HE22 GLN 65 2HE2 GLN 65 -6.853 6.874 -6.490 496 H GLY 66 H GLY 66 -1.531 4.813 -5.936 497 HA2 GLY 66 2HA GLY 66 -2.437 6.070 -3.627 498 HA3 GLY 66 3HA GLY 66 -0.767 5.622 -3.945 499 H ILE 67 H ILE 67 -0.275 7.301 -6.156 500 HA ILE 67 HA ILE 67 0.613 9.680 -4.976 501 HB ILE 67 HB ILE 67 0.198 8.918 -7.902 502 HG12 ILE 67 2HG1 ILE 67 2.772 9.117 -6.260 503 HG13 ILE 67 3HG1 ILE 67 1.924 7.622 -6.630 504 HG21 ILE 67 1HG2 ILE 67 1.644 11.402 -6.901 505 HG22 ILE 67 2HG2 ILE 67 0.129 11.371 -7.800 506 HG23 ILE 67 3HG2 ILE 67 1.617 10.831 -8.571 507 HD11 ILE 67 3HD1 ILE 67 2.370 7.934 -8.998 508 HD12 ILE 67 1HD1 ILE 67 3.860 7.963 -8.055 509 HD13 ILE 67 2HD1 ILE 67 3.174 9.470 -8.655 510 H GLU 68 H GLU 68 -2.263 8.993 -6.931 511 HA GLU 68 HA GLU 68 -3.192 11.616 -7.370 512 HB2 GLU 68 2HB GLU 68 -4.827 9.049 -7.156 513 HB3 GLU 68 3HB GLU 68 -5.357 10.545 -7.927 514 HG2 GLU 68 2HG GLU 68 -3.538 10.287 -9.605 515 HG3 GLU 68 3HG GLU 68 -3.070 8.767 -8.842 516 H VAL 69 H VAL 69 -3.930 9.246 -4.861 517 HA VAL 69 HA VAL 69 -5.737 11.033 -3.450 518 HB VAL 69 HB VAL 69 -6.146 9.191 -1.907 519 HG11 VAL 69 1HG1 VAL 69 -7.103 7.552 -3.508 520 HG12 VAL 69 2HG1 VAL 69 -6.129 8.243 -4.805 521 HG13 VAL 69 3HG1 VAL 69 -7.390 9.210 -4.038 522 HG21 VAL 69 3HG2 VAL 69 -5.046 6.992 -2.122 523 HG22 VAL 69 1HG2 VAL 69 -3.867 8.248 -1.741 524 HG23 VAL 69 2HG2 VAL 69 -3.991 7.628 -3.388 525 H ALA 70 H ALA 70 -2.362 10.329 -3.359 526 HA ALA 70 HA ALA 70 -1.827 10.940 -0.609 527 HB1 ALA 70 3HB ALA 70 0.059 11.030 -2.984 528 HB2 ALA 70 1HB ALA 70 -0.253 9.627 -1.961 529 HB3 ALA 70 2HB ALA 70 0.530 11.052 -1.281 530 H ARG 71 H ARG 71 -1.616 12.774 -3.635 531 HA ARG 71 HA ARG 71 -0.759 15.217 -2.429 532 HB2 ARG 71 2HB ARG 71 -1.189 16.230 -4.674 533 HB3 ARG 71 3HB ARG 71 -0.166 14.801 -4.732 534 HG2 ARG 71 2HG ARG 71 -2.142 13.455 -5.439 535 HG3 ARG 71 3HG ARG 71 -3.098 14.940 -5.487 536 HD2 ARG 71 2HD ARG 71 -0.624 14.365 -7.162 537 HD3 ARG 71 3HD ARG 71 -2.295 14.277 -7.733 538 HE ARG 71 HE ARG 71 -2.140 16.804 -6.809 539 HH11 ARG 71 1HH1 ARG 71 -0.053 15.048 -9.044 540 HH12 ARG 71 2HH1 ARG 71 0.353 16.479 -9.937 541 HH21 ARG 71 1HH2 ARG 71 -1.591 18.627 -8.007 542 HH22 ARG 71 2HH2 ARG 71 -0.509 18.485 -9.356 543 H GLU 72 H GLU 72 -3.961 13.855 -3.116 544 HA GLU 72 HA GLU 72 -5.279 16.396 -2.449 545 HB2 GLU 72 2HB GLU 72 -6.422 13.719 -3.325 546 HB3 GLU 72 3HB GLU 72 -7.400 15.140 -2.958 547 HG2 GLU 72 2HG GLU 72 -6.124 16.386 -4.747 548 HG3 GLU 72 3HG GLU 72 -5.352 14.860 -5.179 549 H GLU 73 H GLU 73 -5.459 13.039 -1.187 550 HA GLU 73 HA GLU 73 -7.060 13.867 1.084 551 HB2 GLU 73 2HB GLU 73 -5.948 11.085 0.531 552 HB3 GLU 73 3HB GLU 73 -7.297 11.501 1.586 553 HG2 GLU 73 2HG GLU 73 -7.240 11.721 -1.443 554 HG3 GLU 73 3HG GLU 73 -8.067 10.479 -0.503 555 H GLY 74 H GLY 74 -3.836 12.342 0.621 556 HA2 GLY 74 2HA GLY 74 -3.217 12.457 3.478 557 HA3 GLY 74 3HA GLY 74 -2.243 11.729 2.206 558 H THR 75 H THR 75 -0.425 12.826 3.249 559 HA THR 75 HA THR 75 -0.228 15.722 2.634 560 HB THR 75 HB THR 75 1.581 15.850 4.302 561 HG1 THR 75 HG1 THR 75 1.153 13.055 4.521 562 HG21 THR 75 3HG2 THR 75 -0.721 16.145 5.176 563 HG22 THR 75 1HG2 THR 75 0.329 15.375 6.372 564 HG23 THR 75 2HG2 THR 75 -0.831 14.407 5.464 565 H GLN 76 H GLN 76 2.205 16.350 2.317 566 HA GLN 76 HA GLN 76 3.147 15.286 -0.124 567 HB2 GLN 76 2HB GLN 76 3.536 17.622 0.527 568 HB3 GLN 76 3HB GLN 76 4.499 17.114 1.907 569 HG2 GLN 76 2HG GLN 76 5.903 17.975 0.090 570 HG3 GLN 76 3HG GLN 76 6.253 16.283 0.427 571 HE21 GLN 76 1HE2 GLN 76 4.827 18.511 -1.887 572 HE22 GLN 76 2HE2 GLN 76 4.802 17.406 -3.215 573 H LYS 77 H LYS 77 3.886 14.515 3.221 574 HA LYS 77 HA LYS 77 6.269 13.077 3.015 575 HB2 LYS 77 2HB LYS 77 5.237 13.578 5.180 576 HB3 LYS 77 3HB LYS 77 3.854 12.560 4.789 577 HG2 LYS 77 2HG LYS 77 5.347 10.563 4.773 578 HG3 LYS 77 3HG LYS 77 6.707 11.596 5.224 579 HD2 LYS 77 2HD LYS 77 5.575 12.165 7.345 580 HD3 LYS 77 3HD LYS 77 4.191 11.168 6.884 581 HE2 LYS 77 2HE LYS 77 5.671 9.169 6.862 582 HE3 LYS 77 3HE LYS 77 7.023 10.177 7.382 583 HZ1 LYS 77 3HZ LYS 77 6.029 9.003 9.225 584 HZ2 LYS 77 1HZ LYS 77 4.523 9.696 8.903 585 HZ3 LYS 77 2HZ LYS 77 5.805 10.668 9.413 586 H ASP 78 H ASP 78 2.918 11.987 2.560 587 HA ASP 78 HA ASP 78 3.535 9.232 2.048 588 HB2 ASP 78 2HB ASP 78 0.972 10.724 1.328 589 HB3 ASP 78 3HB ASP 78 1.170 8.982 1.519 590 H LEU 79 H LEU 79 2.794 12.064 0.084 591 HA LEU 79 HA LEU 79 2.563 10.914 -2.459 592 HB2 LEU 79 2HB LEU 79 1.893 13.230 -1.876 593 HB3 LEU 79 3HB LEU 79 3.577 13.675 -1.659 594 HG LEU 79 HG LEU 79 3.976 13.292 -4.099 595 HD11 LEU 79 1HD1 LEU 79 0.986 12.779 -4.244 596 HD12 LEU 79 2HD1 LEU 79 2.272 11.608 -4.554 597 HD13 LEU 79 3HD1 LEU 79 2.066 12.985 -5.630 598 HD21 LEU 79 3HD2 LEU 79 3.434 15.555 -3.301 599 HD22 LEU 79 1HD2 LEU 79 1.709 15.233 -3.507 600 HD23 LEU 79 2HD2 LEU 79 2.777 15.285 -4.912 601 H SER 80 H SER 80 5.411 12.244 -0.778 602 HA SER 80 HA SER 80 7.294 11.849 -2.852 603 HB2 SER 80 2HB SER 80 7.782 12.091 0.144 604 HB3 SER 80 3HB SER 80 8.997 12.292 -1.119 605 HG SER 80 HG SER 80 6.656 13.858 -1.159 606 H GLU 81 H GLU 81 6.215 9.803 -0.148 607 HA GLU 81 HA GLU 81 8.215 7.802 -0.365 608 HB2 GLU 81 2HB GLU 81 5.434 7.766 0.862 609 HB3 GLU 81 3HB GLU 81 6.485 6.353 0.897 610 HG2 GLU 81 2HG GLU 81 7.054 9.049 2.160 611 HG3 GLU 81 3HG GLU 81 6.620 7.558 2.995 612 H LEU 82 H LEU 82 5.015 8.114 -1.836 613 HA LEU 82 HA LEU 82 4.953 5.493 -3.008 614 HB2 LEU 82 2HB LEU 82 3.303 7.992 -3.472 615 HB3 LEU 82 3HB LEU 82 2.951 6.447 -4.241 616 HG LEU 82 HG LEU 82 3.086 6.728 -1.213 617 HD11 LEU 82 1HD1 LEU 82 1.388 8.283 -1.990 618 HD12 LEU 82 2HD1 LEU 82 0.660 6.903 -1.169 619 HD13 LEU 82 3HD1 LEU 82 0.624 7.001 -2.929 620 HD21 LEU 82 3HD2 LEU 82 1.731 4.672 -1.238 621 HD22 LEU 82 1HD2 LEU 82 3.270 4.437 -2.066 622 HD23 LEU 82 2HD2 LEU 82 1.786 4.644 -3.002 623 H GLN 83 H GLN 83 5.751 8.728 -4.207 624 HA GLN 83 HA GLN 83 6.160 8.015 -6.934 625 HB2 GLN 83 2HB GLN 83 7.189 10.383 -5.305 626 HB3 GLN 83 3HB GLN 83 7.407 10.222 -7.049 627 HG2 GLN 83 2HG GLN 83 4.960 10.218 -7.359 628 HG3 GLN 83 3HG GLN 83 4.734 10.370 -5.621 629 HE21 GLN 83 1HE2 GLN 83 6.879 12.314 -5.256 630 HE22 GLN 83 2HE2 GLN 83 6.313 13.797 -5.926 631 H ASP 84 H ASP 84 8.325 8.372 -4.126 632 HA ASP 84 HA ASP 84 10.786 7.743 -5.336 633 HB2 ASP 84 2HB ASP 84 10.796 8.717 -3.123 634 HB3 ASP 84 3HB ASP 84 9.819 7.409 -2.470 635 H ALA 85 H ALA 85 8.354 5.685 -3.772 636 HA ALA 85 HA ALA 85 9.859 3.308 -3.692 637 HB1 ALA 85 3HB ALA 85 7.905 3.692 -2.245 638 HB2 ALA 85 1HB ALA 85 7.756 2.175 -3.138 639 HB3 ALA 85 2HB ALA 85 6.841 3.597 -3.648 640 H LYS 86 H LYS 86 7.465 4.489 -6.065 641 HA LYS 86 HA LYS 86 7.607 2.134 -7.678 642 HB2 LYS 86 2HB LYS 86 6.237 3.270 -9.313 643 HB3 LYS 86 3HB LYS 86 5.606 3.567 -7.701 644 HG2 LYS 86 2HG LYS 86 6.637 5.829 -7.744 645 HG3 LYS 86 3HG LYS 86 7.189 5.531 -9.392 646 HD2 LYS 86 2HD LYS 86 4.293 5.596 -8.458 647 HD3 LYS 86 3HD LYS 86 5.115 6.871 -9.357 648 HE2 LYS 86 2HE LYS 86 4.611 4.059 -10.389 649 HE3 LYS 86 3HE LYS 86 3.653 5.481 -10.790 650 HZ1 LYS 86 3HZ LYS 86 5.666 6.477 -11.743 651 HZ2 LYS 86 1HZ LYS 86 5.229 5.043 -12.524 652 HZ3 LYS 86 2HZ LYS 86 6.518 5.055 -11.434 653 H LEU 87 H LEU 87 9.417 5.233 -7.765 654 HA LEU 87 HA LEU 87 10.438 4.736 -10.404 655 HB2 LEU 87 2HB LEU 87 11.883 6.678 -10.133 656 HB3 LEU 87 3HB LEU 87 10.229 7.034 -9.698 657 HG LEU 87 HG LEU 87 11.052 6.789 -7.224 658 HD11 LEU 87 1HD1 LEU 87 13.269 5.842 -7.591 659 HD12 LEU 87 2HD1 LEU 87 13.404 7.420 -6.821 660 HD13 LEU 87 3HD1 LEU 87 13.745 7.251 -8.544 661 HD21 LEU 87 3HD2 LEU 87 11.696 9.167 -7.144 662 HD22 LEU 87 1HD2 LEU 87 10.308 8.905 -8.200 663 HD23 LEU 87 2HD2 LEU 87 11.908 9.174 -8.897 664 H LYS 88 H LYS 88 11.707 4.169 -7.112 665 HA LYS 88 HA LYS 88 14.161 3.032 -8.049 666 HB2 LYS 88 2HB LYS 88 14.563 2.287 -5.768 667 HB3 LYS 88 3HB LYS 88 14.017 3.955 -5.781 668 HG2 LYS 88 2HG LYS 88 11.902 3.396 -4.846 669 HG3 LYS 88 3HG LYS 88 12.131 1.671 -5.161 670 HD2 LYS 88 2HD LYS 88 13.972 1.611 -3.523 671 HD3 LYS 88 3HD LYS 88 13.767 3.334 -3.197 672 HE2 LYS 88 2HE LYS 88 11.547 1.320 -2.757 673 HE3 LYS 88 3HE LYS 88 12.733 1.697 -1.508 674 HZ1 LYS 88 3HZ LYS 88 10.647 2.974 -1.341 675 HZ2 LYS 88 1HZ LYS 88 11.000 3.720 -2.814 676 HZ3 LYS 88 2HZ LYS 88 12.013 3.953 -1.487 677 H ALA 89 H ALA 89 10.944 1.710 -7.344 678 HA ALA 89 HA ALA 89 11.530 -1.027 -7.694 679 HB1 ALA 89 3HB ALA 89 9.413 -0.245 -6.719 680 HB2 ALA 89 1HB ALA 89 9.129 -1.335 -8.080 681 HB3 ALA 89 2HB ALA 89 8.922 0.407 -8.283 682 H GLU 90 H GLU 90 11.050 1.540 -10.082 683 HA GLU 90 HA GLU 90 10.872 0.018 -12.419 684 HB2 GLU 90 2HB GLU 90 12.295 2.679 -12.033 685 HB3 GLU 90 3HB GLU 90 11.899 1.971 -13.597 686 HG2 GLU 90 2HG GLU 90 9.878 2.791 -11.492 687 HG3 GLU 90 3HG GLU 90 10.320 3.754 -12.895 688 H GLY 91 H GLY 91 13.582 0.496 -10.294 689 HA2 GLY 91 2HA GLY 91 15.688 -0.435 -11.980 690 HA3 GLY 91 3HA GLY 91 15.704 -0.334 -10.229 691 H LEU 92 H LEU 92 13.042 -2.156 -10.922 692 HA LEU 92 HA LEU 92 14.376 -4.731 -10.580 693 HB2 LEU 92 2HB LEU 92 11.428 -3.976 -10.608 694 HB3 LEU 92 3HB LEU 92 12.023 -5.612 -10.363 695 HG LEU 92 HG LEU 92 12.592 -3.272 -8.500 696 HD11 LEU 92 1HD1 LEU 92 10.621 -5.555 -8.151 697 HD12 LEU 92 2HD1 LEU 92 10.212 -3.864 -8.444 698 HD13 LEU 92 3HD1 LEU 92 11.007 -4.326 -6.942 699 HD21 LEU 92 3HD2 LEU 92 14.376 -4.955 -8.447 700 HD22 LEU 92 1HD2 LEU 92 13.191 -6.237 -8.170 701 HD23 LEU 92 2HD2 LEU 92 13.451 -4.989 -6.948 702 H GLU 93 H GLU 93 11.675 -3.563 -12.689 703 HA GLU 93 HA GLU 93 12.727 -4.896 -15.026 704 HB2 GLU 93 2HB GLU 93 10.747 -6.482 -15.230 705 HB3 GLU 93 3HB GLU 93 11.920 -6.900 -13.992 706 HG2 GLU 93 2HG GLU 93 10.469 -6.253 -12.231 707 HG3 GLU 93 3HG GLU 93 9.403 -5.372 -13.319 708 H HIS 94 H HIS 94 9.737 -3.597 -13.541 709 HA HIS 94 HA HIS 94 7.803 -2.810 -14.360 710 HB2 HIS 94 2HB HIS 94 9.301 -0.785 -14.593 711 HB3 HIS 94 3HB HIS 94 9.544 -1.209 -16.286 712 HD1 HIS 94 HD1 HIS 94 6.911 0.043 -13.907 713 HD2 HIS 94 HD2 HIS 94 7.394 -0.555 -17.986 714 HE1 HIS 94 HE1 HIS 94 4.914 1.108 -14.980 715 HE2 HIS 94 HE2 HIS 94 5.167 0.618 -17.435 716 H HIS 95 H HIS 95 7.535 -5.097 -15.152 717 HA HIS 95 HA HIS 95 6.653 -6.567 -16.639 718 HB2 HIS 95 2HB HIS 95 5.104 -4.491 -16.936 719 HB3 HIS 95 3HB HIS 95 5.965 -4.200 -18.438 720 HD1 HIS 95 HD1 HIS 95 3.441 -6.436 -16.857 721 HD2 HIS 95 HD2 HIS 95 5.310 -6.006 -20.538 722 HE1 HIS 95 HE1 HIS 95 2.112 -7.840 -18.457 723 HE2 HIS 95 HE2 HIS 95 3.131 -7.380 -20.700 724 H HIS 96 H HIS 96 9.403 -6.237 -16.797 725 HA HIS 96 HA HIS 96 10.603 -5.438 -19.166 726 HB2 HIS 96 2HB HIS 96 11.908 -5.873 -17.159 727 HB3 HIS 96 3HB HIS 96 11.481 -7.577 -17.178 728 HD1 HIS 96 HD1 HIS 96 13.655 -5.057 -18.931 729 HD2 HIS 96 HD2 HIS 96 13.099 -9.173 -18.791 730 HE1 HIS 96 HE1 HIS 96 15.591 -6.043 -20.181 731 HE2 HIS 96 HE2 HIS 96 15.077 -8.497 -20.300 732 H HIS 97 H HIS 97 9.560 -8.694 -18.259 733 HA HIS 97 HA HIS 97 9.136 -10.612 -19.330 734 HB2 HIS 97 2HB HIS 97 7.381 -9.258 -20.446 735 HB3 HIS 97 3HB HIS 97 8.525 -8.783 -21.696 736 HD1 HIS 97 HD1 HIS 97 6.804 -11.899 -20.377 737 HD2 HIS 97 HD2 HIS 97 8.632 -10.524 -23.846 738 HE1 HIS 97 HE1 HIS 97 6.397 -13.673 -22.099 739 HE2 HIS 97 HE2 HIS 97 7.719 -12.927 -24.101 740 H HIS 98 H HIS 98 11.273 -11.380 -19.168 741 HA HIS 98 HA HIS 98 13.368 -10.777 -20.979 742 HB2 HIS 98 2HB HIS 98 13.699 -11.789 -18.695 743 HB3 HIS 98 3HB HIS 98 13.058 -13.312 -19.299 744 HD1 HIS 98 HD1 HIS 98 14.532 -14.154 -21.610 745 HD2 HIS 98 HD2 HIS 98 16.389 -11.751 -18.778 746 HE1 HIS 98 HE1 HIS 98 16.986 -14.408 -22.016 747 HE2 HIS 98 HE2 HIS 98 18.088 -13.083 -20.192 748 H HIS 99 H HIS 99 13.192 -11.169 -23.117 749 HA HIS 99 HA HIS 99 11.871 -13.547 -24.167 750 HB2 HIS 99 2HB HIS 99 11.631 -11.357 -25.333 751 HB3 HIS 99 3HB HIS 99 13.368 -11.316 -25.616 752 HD1 HIS 99 HD1 HIS 99 14.064 -12.185 -27.837 753 HD2 HIS 99 HD2 HIS 99 10.416 -13.777 -26.638 754 HE1 HIS 99 HE1 HIS 99 13.286 -13.608 -29.752 755 HE2 HIS 99 HE2 HIS 99 10.990 -14.394 -29.080 Start of MODEL 5 1 H1 GLU 1 1H GLU 1 -8.568 -6.274 18.016 2 H2 GLU 1 2H GLU 1 -7.647 -5.220 18.965 3 H3 GLU 1 3H GLU 1 -7.696 -5.027 17.282 4 HA GLU 1 HA GLU 1 -10.001 -4.712 19.116 5 HB2 GLU 1 2HB GLU 1 -8.544 -2.565 17.509 6 HB3 GLU 1 3HB GLU 1 -9.850 -2.305 18.663 7 HG2 GLU 1 2HG GLU 1 -7.005 -3.175 19.247 8 HG3 GLU 1 3HG GLU 1 -7.771 -1.654 19.690 9 H ASP 2 H ASP 2 -11.502 -2.988 17.508 10 HA ASP 2 HA ASP 2 -12.688 -4.907 15.780 11 HB2 ASP 2 2HB ASP 2 -14.412 -3.322 15.296 12 HB3 ASP 2 3HB ASP 2 -14.013 -3.159 17.000 13 HA PRO 3 HA PRO 3 -10.249 -3.776 12.162 14 HB2 PRO 3 2HB PRO 3 -10.871 -5.848 10.587 15 HB3 PRO 3 3HB PRO 3 -9.971 -6.106 12.088 16 HG2 PRO 3 2HG PRO 3 -12.904 -6.539 11.539 17 HG3 PRO 3 3HG PRO 3 -11.761 -7.573 12.425 18 HD2 PRO 3 2HD PRO 3 -13.522 -5.753 13.614 19 HD3 PRO 3 3HD PRO 3 -12.061 -6.401 14.392 20 H GLU 4 H GLU 4 -13.339 -3.009 12.619 21 HA GLU 4 HA GLU 4 -14.178 -2.391 9.920 22 HB2 GLU 4 2HB GLU 4 -15.196 -1.429 12.634 23 HB3 GLU 4 3HB GLU 4 -15.875 -0.882 11.110 24 HG2 GLU 4 2HG GLU 4 -17.295 -2.576 12.041 25 HG3 GLU 4 3HG GLU 4 -16.545 -3.189 10.572 26 H ASP 5 H ASP 5 -12.517 -0.745 12.575 27 HA ASP 5 HA ASP 5 -12.402 1.858 11.475 28 HB2 ASP 5 2HB ASP 5 -11.933 1.362 13.862 29 HB3 ASP 5 3HB ASP 5 -10.483 0.481 13.400 30 HA PRO 6 HA PRO 6 -9.721 1.214 7.921 31 HB2 PRO 6 2HB PRO 6 -8.901 4.069 8.465 32 HB3 PRO 6 3HB PRO 6 -9.447 3.327 6.951 33 HG2 PRO 6 2HG PRO 6 -11.101 4.870 8.371 34 HG3 PRO 6 3HG PRO 6 -11.703 3.387 7.594 35 HD2 PRO 6 2HD PRO 6 -11.036 3.880 10.493 36 HD3 PRO 6 3HD PRO 6 -12.367 2.940 9.785 37 H PHE 7 H PHE 7 -8.190 3.132 10.562 38 HA PHE 7 HA PHE 7 -5.531 2.387 9.920 39 HB2 PHE 7 2HB PHE 7 -5.980 4.425 11.196 40 HB3 PHE 7 3HB PHE 7 -6.671 3.491 12.519 41 HD1 PHE 7 HD1 PHE 7 -3.469 3.955 10.608 42 HD2 PHE 7 HD2 PHE 7 -5.256 2.829 14.330 43 HE1 PHE 7 HE1 PHE 7 -1.241 3.792 11.633 44 HE2 PHE 7 HE2 PHE 7 -3.017 2.680 15.350 45 HZ PHE 7 HZ PHE 7 -1.010 3.157 14.003 46 H THR 8 H THR 8 -7.981 0.824 11.910 47 HA THR 8 HA THR 8 -6.070 -0.737 13.431 48 HB THR 8 HB THR 8 -9.096 -1.042 13.284 49 HG1 THR 8 HG1 THR 8 -8.063 0.984 14.136 50 HG21 THR 8 3HG2 THR 8 -8.058 -3.118 14.128 51 HG22 THR 8 1HG2 THR 8 -8.851 -2.259 15.450 52 HG23 THR 8 2HG2 THR 8 -7.097 -2.188 15.278 53 H ARG 9 H ARG 9 -8.195 -1.367 10.619 54 HA ARG 9 HA ARG 9 -7.455 -4.158 10.388 55 HB2 ARG 9 2HB ARG 9 -8.721 -4.151 8.288 56 HB3 ARG 9 3HB ARG 9 -9.633 -3.345 9.555 57 HG2 ARG 9 2HG ARG 9 -8.525 -1.165 8.481 58 HG3 ARG 9 3HG ARG 9 -8.413 -2.209 7.065 59 HD2 ARG 9 2HD ARG 9 -10.937 -1.471 8.579 60 HD3 ARG 9 3HD ARG 9 -10.458 -0.868 6.994 61 HE ARG 9 HE ARG 9 -10.592 -3.585 6.666 62 HH11 ARG 9 1HH1 ARG 9 -12.873 -1.102 7.682 63 HH12 ARG 9 2HH1 ARG 9 -14.255 -2.026 7.197 64 HH21 ARG 9 1HH2 ARG 9 -12.448 -4.765 6.090 65 HH22 ARG 9 2HH2 ARG 9 -14.023 -4.076 6.317 66 H TYR 10 H TYR 10 -6.266 -1.124 9.181 67 HA TYR 10 HA TYR 10 -4.287 -1.996 7.350 68 HB2 TYR 10 2HB TYR 10 -4.921 0.296 7.330 69 HB3 TYR 10 3HB TYR 10 -4.688 0.475 9.057 70 HD1 TYR 10 HD2 TYR 10 -2.680 -0.179 5.917 71 HD2 TYR 10 HD1 TYR 10 -2.775 1.599 9.803 72 HE1 TYR 10 HE2 TYR 10 -0.494 0.878 5.503 73 HE2 TYR 10 HE1 TYR 10 -0.607 2.644 9.377 74 HH TYR 10 HH TYR 10 1.329 2.362 7.987 75 H ALA 11 H ALA 11 -4.116 -1.234 10.816 76 HA ALA 11 HA ALA 11 -1.387 -1.902 11.229 77 HB1 ALA 11 3HB ALA 11 -2.628 -0.373 12.718 78 HB2 ALA 11 1HB ALA 11 -1.933 -1.718 13.626 79 HB3 ALA 11 2HB ALA 11 -3.657 -1.706 13.243 80 H LEU 12 H LEU 12 -4.407 -3.684 11.409 81 HA LEU 12 HA LEU 12 -3.516 -6.082 12.594 82 HB2 LEU 12 2HB LEU 12 -5.885 -5.456 12.417 83 HB3 LEU 12 3HB LEU 12 -5.809 -5.560 10.671 84 HG LEU 12 HG LEU 12 -5.440 -8.030 10.841 85 HD11 LEU 12 1HD1 LEU 12 -5.880 -7.640 13.825 86 HD12 LEU 12 2HD1 LEU 12 -4.381 -8.162 13.048 87 HD13 LEU 12 3HD1 LEU 12 -5.808 -9.189 12.979 88 HD21 LEU 12 3HD2 LEU 12 -7.713 -7.160 10.506 89 HD22 LEU 12 1HD2 LEU 12 -7.940 -7.019 12.253 90 HD23 LEU 12 2HD2 LEU 12 -7.745 -8.609 11.509 91 H ALA 13 H ALA 13 -3.765 -5.023 9.222 92 HA ALA 13 HA ALA 13 -2.809 -7.334 7.942 93 HB1 ALA 13 3HB ALA 13 -3.924 -5.485 6.753 94 HB2 ALA 13 1HB ALA 13 -2.368 -5.876 6.024 95 HB3 ALA 13 2HB ALA 13 -2.529 -4.448 7.047 96 H GLN 14 H GLN 14 -1.101 -4.493 9.240 97 HA GLN 14 HA GLN 14 1.529 -5.259 8.510 98 HB2 GLN 14 2HB GLN 14 0.570 -3.449 10.763 99 HB3 GLN 14 3HB GLN 14 2.240 -3.561 10.204 100 HG2 GLN 14 2HG GLN 14 1.596 -2.701 7.997 101 HG3 GLN 14 3HG GLN 14 -0.101 -2.668 8.487 102 HE21 GLN 14 1HE2 GLN 14 3.030 -1.160 8.903 103 HE22 GLN 14 2HE2 GLN 14 2.450 0.284 9.649 104 H GLU 15 H GLU 15 -0.483 -6.083 11.322 105 HA GLU 15 HA GLU 15 1.481 -7.428 12.870 106 HB2 GLU 15 2HB GLU 15 -1.516 -7.913 12.653 107 HB3 GLU 15 3HB GLU 15 -0.485 -8.742 13.819 108 HG2 GLU 15 2HG GLU 15 0.067 -6.571 14.860 109 HG3 GLU 15 3HG GLU 15 -0.969 -5.751 13.693 110 H HIS 16 H HIS 16 -0.758 -8.565 10.332 111 HA HIS 16 HA HIS 16 -0.037 -11.278 10.342 112 HB2 HIS 16 2HB HIS 16 -1.255 -9.580 8.139 113 HB3 HIS 16 3HB HIS 16 -1.030 -11.319 7.987 114 HD1 HIS 16 HD1 HIS 16 -2.226 -12.689 10.134 115 HD2 HIS 16 HD2 HIS 16 -3.734 -8.984 9.043 116 HE1 HIS 16 HE1 HIS 16 -4.537 -12.592 11.099 117 HE2 HIS 16 HE2 HIS 16 -5.499 -10.450 10.208 118 H LEU 17 H LEU 17 1.336 -8.543 8.494 119 HA LEU 17 HA LEU 17 3.202 -9.873 6.908 120 HB2 LEU 17 2HB LEU 17 3.352 -7.173 8.307 121 HB3 LEU 17 3HB LEU 17 4.584 -7.712 7.178 122 HG LEU 17 HG LEU 17 1.649 -7.306 6.456 123 HD11 LEU 17 1HD1 LEU 17 4.018 -5.498 5.849 124 HD12 LEU 17 2HD1 LEU 17 2.697 -5.141 6.962 125 HD13 LEU 17 3HD1 LEU 17 2.374 -5.290 5.237 126 HD21 LEU 17 3HD2 LEU 17 2.742 -9.000 5.057 127 HD22 LEU 17 1HD2 LEU 17 4.056 -7.874 4.690 128 HD23 LEU 17 2HD2 LEU 17 2.417 -7.540 4.127 129 H LYS 18 H LYS 18 3.533 -8.692 10.233 130 HA LYS 18 HA LYS 18 6.219 -9.544 10.653 131 HB2 LYS 18 2HB LYS 18 4.022 -8.805 12.630 132 HB3 LYS 18 3HB LYS 18 5.725 -8.985 13.056 133 HG2 LYS 18 2HG LYS 18 6.338 -7.069 11.702 134 HG3 LYS 18 3HG LYS 18 4.718 -6.970 11.012 135 HD2 LYS 18 2HD LYS 18 4.975 -5.220 12.686 136 HD3 LYS 18 3HD LYS 18 3.810 -6.410 13.269 137 HE2 LYS 18 2HE LYS 18 5.593 -7.423 14.678 138 HE3 LYS 18 3HE LYS 18 6.721 -6.188 14.113 139 HZ1 LYS 18 3HZ LYS 18 5.275 -4.502 15.097 140 HZ2 LYS 18 1HZ LYS 18 5.812 -5.615 16.254 141 HZ3 LYS 18 2HZ LYS 18 4.235 -5.710 15.657 142 H HIS 19 H HIS 19 3.081 -11.033 11.211 143 HA HIS 19 HA HIS 19 4.257 -13.408 12.496 144 HB2 HIS 19 2HB HIS 19 1.419 -12.353 12.303 145 HB3 HIS 19 3HB HIS 19 1.781 -13.952 12.939 146 HD1 HIS 19 HD1 HIS 19 2.139 -14.044 15.379 147 HD2 HIS 19 HD2 HIS 19 2.804 -10.231 13.879 148 HE1 HIS 19 HE1 HIS 19 2.688 -12.625 17.374 149 HE2 HIS 19 HE2 HIS 19 3.193 -10.351 16.430 150 H ASP 20 H ASP 20 4.482 -12.856 9.596 151 HA ASP 20 HA ASP 20 5.091 -14.308 7.962 152 HB2 ASP 20 2HB ASP 20 5.411 -16.030 9.708 153 HB3 ASP 20 3HB ASP 20 3.717 -16.486 9.593 154 H ASN 21 H ASN 21 1.805 -13.871 8.788 155 HA ASN 21 HA ASN 21 0.651 -15.200 6.477 156 HB2 ASN 21 2HB ASN 21 -0.617 -13.461 8.635 157 HB3 ASN 21 3HB ASN 21 -1.515 -14.289 7.373 158 HD21 ASN 21 1HD2 ASN 21 0.087 -16.737 7.510 159 HD22 ASN 21 2HD2 ASN 21 -0.344 -17.511 8.988 160 H ALA 22 H ALA 22 2.253 -13.711 5.200 161 HA ALA 22 HA ALA 22 1.641 -10.993 4.728 162 HB1 ALA 22 3HB ALA 22 3.067 -12.981 2.926 163 HB2 ALA 22 1HB ALA 22 3.828 -11.990 4.176 164 HB3 ALA 22 2HB ALA 22 3.098 -11.226 2.765 165 H SER 23 H SER 23 0.494 -14.009 3.301 166 HA SER 23 HA SER 23 -1.120 -13.158 1.221 167 HB2 SER 23 2HB SER 23 -2.417 -15.278 1.689 168 HB3 SER 23 3HB SER 23 -0.671 -15.520 1.666 169 HG SER 23 HG SER 23 -2.378 -16.056 3.630 170 H ARG 24 H ARG 24 -1.953 -13.361 4.700 171 HA ARG 24 HA ARG 24 -4.692 -12.527 4.389 172 HB2 ARG 24 2HB ARG 24 -2.935 -12.693 6.881 173 HB3 ARG 24 3HB ARG 24 -4.685 -12.473 6.879 174 HG2 ARG 24 2HG ARG 24 -3.244 -14.914 5.792 175 HG3 ARG 24 3HG ARG 24 -3.987 -14.796 7.389 176 HD2 ARG 24 2HD ARG 24 -6.191 -14.373 6.276 177 HD3 ARG 24 3HD ARG 24 -5.414 -14.653 4.710 178 HE ARG 24 HE ARG 24 -4.798 -16.875 6.209 179 HH11 ARG 24 1HH1 ARG 24 -7.817 -15.400 5.176 180 HH12 ARG 24 2HH1 ARG 24 -8.691 -16.898 5.206 181 HH21 ARG 24 1HH2 ARG 24 -5.960 -18.826 6.222 182 HH22 ARG 24 2HH2 ARG 24 -7.640 -18.830 5.790 183 H ALA 25 H ALA 25 -1.640 -10.994 5.177 184 HA ALA 25 HA ALA 25 -2.530 -8.396 5.891 185 HB1 ALA 25 3HB ALA 25 -0.242 -9.218 6.323 186 HB2 ALA 25 1HB ALA 25 -0.207 -7.727 5.382 187 HB3 ALA 25 2HB ALA 25 0.081 -9.280 4.588 188 H LEU 26 H LEU 26 -1.732 -9.974 2.864 189 HA LEU 26 HA LEU 26 -1.794 -7.786 1.084 190 HB2 LEU 26 2HB LEU 26 -0.836 -10.090 0.609 191 HB3 LEU 26 3HB LEU 26 -2.475 -10.693 0.475 192 HG LEU 26 HG LEU 26 -2.829 -9.129 -1.481 193 HD11 LEU 26 1HD1 LEU 26 -0.877 -8.129 -2.583 194 HD12 LEU 26 2HD1 LEU 26 0.161 -8.656 -1.260 195 HD13 LEU 26 3HD1 LEU 26 -1.100 -7.459 -0.969 196 HD21 LEU 26 3HD2 LEU 26 -1.570 -10.480 -3.101 197 HD22 LEU 26 1HD2 LEU 26 -2.270 -11.504 -1.849 198 HD23 LEU 26 2HD2 LEU 26 -0.549 -11.113 -1.808 199 H ALA 27 H ALA 27 -4.187 -10.203 2.002 200 HA ALA 27 HA ALA 27 -6.427 -9.457 0.588 201 HB1 ALA 27 3HB ALA 27 -6.333 -10.556 3.417 202 HB2 ALA 27 1HB ALA 27 -6.217 -11.511 1.938 203 HB3 ALA 27 2HB ALA 27 -7.708 -10.645 2.310 204 H LEU 28 H LEU 28 -5.432 -8.243 3.814 205 HA LEU 28 HA LEU 28 -7.726 -6.604 4.208 206 HB2 LEU 28 2HB LEU 28 -5.034 -6.638 5.587 207 HB3 LEU 28 3HB LEU 28 -6.355 -5.595 6.095 208 HG LEU 28 HG LEU 28 -6.461 -8.646 6.078 209 HD11 LEU 28 1HD1 LEU 28 -4.911 -7.805 7.782 210 HD12 LEU 28 2HD1 LEU 28 -6.354 -8.494 8.523 211 HD13 LEU 28 3HD1 LEU 28 -6.170 -6.741 8.415 212 HD21 LEU 28 3HD2 LEU 28 -8.466 -6.621 7.158 213 HD22 LEU 28 1HD2 LEU 28 -8.565 -8.376 7.333 214 HD23 LEU 28 2HD2 LEU 28 -8.688 -7.647 5.735 215 H PHE 29 H PHE 29 -4.508 -5.909 2.868 216 HA PHE 29 HA PHE 29 -4.897 -3.076 2.706 217 HB2 PHE 29 2HB PHE 29 -2.954 -4.903 1.257 218 HB3 PHE 29 3HB PHE 29 -2.957 -3.155 1.085 219 HD1 PHE 29 HD1 PHE 29 -3.251 -2.160 3.833 220 HD2 PHE 29 HD2 PHE 29 -0.963 -5.472 2.371 221 HE1 PHE 29 HE1 PHE 29 -1.674 -1.923 5.715 222 HE2 PHE 29 HE2 PHE 29 0.592 -5.227 4.257 223 HZ PHE 29 HZ PHE 29 0.242 -3.457 5.935 224 H GLU 30 H GLU 30 -5.251 -5.751 0.354 225 HA GLU 30 HA GLU 30 -6.175 -4.357 -1.891 226 HB2 GLU 30 2HB GLU 30 -6.862 -7.161 -0.899 227 HB3 GLU 30 3HB GLU 30 -7.333 -6.558 -2.484 228 HG2 GLU 30 2HG GLU 30 -4.974 -6.324 -3.122 229 HG3 GLU 30 3HG GLU 30 -4.474 -6.846 -1.517 230 H GLU 31 H GLU 31 -7.855 -5.541 0.967 231 HA GLU 31 HA GLU 31 -10.533 -4.985 0.245 232 HB2 GLU 31 2HB GLU 31 -9.916 -6.543 2.038 233 HB3 GLU 31 3HB GLU 31 -9.138 -5.250 2.938 234 HG2 GLU 31 2HG GLU 31 -11.375 -4.163 3.231 235 HG3 GLU 31 3HG GLU 31 -12.108 -5.552 2.417 236 H LEU 32 H LEU 32 -8.048 -3.192 2.029 237 HA LEU 32 HA LEU 32 -9.580 -0.967 2.754 238 HB2 LEU 32 2HB LEU 32 -6.681 -1.620 2.653 239 HB3 LEU 32 3HB LEU 32 -7.078 0.085 2.740 240 HG LEU 32 HG LEU 32 -8.150 -1.921 4.758 241 HD11 LEU 32 1HD1 LEU 32 -6.366 -1.212 6.287 242 HD12 LEU 32 2HD1 LEU 32 -5.637 -0.256 4.997 243 HD13 LEU 32 3HD1 LEU 32 -5.704 -2.013 4.859 244 HD21 LEU 32 3HD2 LEU 32 -9.382 0.225 4.602 245 HD22 LEU 32 1HD2 LEU 32 -7.871 1.111 4.848 246 HD23 LEU 32 2HD2 LEU 32 -8.520 0.092 6.132 247 H VAL 33 H VAL 33 -7.698 -1.580 -0.226 248 HA VAL 33 HA VAL 33 -7.919 1.034 -1.295 249 HB VAL 33 HB VAL 33 -7.512 -1.633 -2.722 250 HG11 VAL 33 1HG1 VAL 33 -8.464 -0.051 -4.342 251 HG12 VAL 33 2HG1 VAL 33 -6.761 -0.326 -4.707 252 HG13 VAL 33 3HG1 VAL 33 -7.266 1.168 -3.905 253 HG21 VAL 33 3HG2 VAL 33 -5.551 0.576 -1.973 254 HG22 VAL 33 1HG2 VAL 33 -5.152 -0.886 -2.886 255 HG23 VAL 33 2HG2 VAL 33 -5.681 -1.010 -1.212 256 H GLU 34 H GLU 34 -9.882 -1.906 -1.848 257 HA GLU 34 HA GLU 34 -11.656 -0.665 -3.687 258 HB2 GLU 34 2HB GLU 34 -12.999 -2.752 -3.522 259 HB3 GLU 34 3HB GLU 34 -11.286 -3.041 -3.800 260 HG2 GLU 34 2HG GLU 34 -11.020 -3.511 -1.347 261 HG3 GLU 34 3HG GLU 34 -12.768 -3.373 -1.179 262 H THR 35 H THR 35 -11.886 -1.053 -0.112 263 HA THR 35 HA THR 35 -14.604 -0.034 -0.073 264 HB THR 35 HB THR 35 -14.378 -0.268 2.419 265 HG1 THR 35 HG1 THR 35 -12.174 0.035 2.731 266 HG21 THR 35 3HG2 THR 35 -13.533 -2.761 0.883 267 HG22 THR 35 1HG2 THR 35 -15.194 -2.190 1.094 268 HG23 THR 35 2HG2 THR 35 -14.262 -2.727 2.490 269 H ASP 36 H ASP 36 -11.316 1.073 0.675 270 HA ASP 36 HA ASP 36 -12.274 3.837 1.185 271 HB2 ASP 36 2HB ASP 36 -10.073 2.406 2.753 272 HB3 ASP 36 3HB ASP 36 -10.520 4.099 2.940 273 HA PRO 37 HA PRO 37 -9.073 3.521 -2.238 274 HB2 PRO 37 2HB PRO 37 -10.241 5.251 -3.994 275 HB3 PRO 37 3HB PRO 37 -10.792 3.579 -3.813 276 HG2 PRO 37 2HG PRO 37 -11.935 6.094 -2.593 277 HG3 PRO 37 3HG PRO 37 -12.781 4.765 -3.413 278 HD2 PRO 37 2HD PRO 37 -12.635 4.945 -0.700 279 HD3 PRO 37 3HD PRO 37 -12.689 3.379 -1.541 280 H ASP 38 H ASP 38 -9.983 5.912 -0.110 281 HA ASP 38 HA ASP 38 -8.240 8.044 -1.085 282 HB2 ASP 38 2HB ASP 38 -9.267 9.408 0.694 283 HB3 ASP 38 3HB ASP 38 -10.507 8.644 -0.287 284 H TYR 39 H TYR 39 -8.305 5.497 1.326 285 HA TYR 39 HA TYR 39 -6.451 6.542 3.189 286 HB2 TYR 39 2HB TYR 39 -8.070 4.509 3.446 287 HB3 TYR 39 3HB TYR 39 -6.814 3.553 2.667 288 HD1 TYR 39 HD2 TYR 39 -4.636 3.175 3.849 289 HD2 TYR 39 HD1 TYR 39 -7.809 5.291 5.762 290 HE1 TYR 39 HE2 TYR 39 -3.523 2.881 6.011 291 HE2 TYR 39 HE1 TYR 39 -6.680 5.006 7.927 292 HH TYR 39 HH TYR 39 -3.461 3.834 8.189 293 H VAL 40 H VAL 40 -4.481 7.208 2.587 294 HA VAL 40 HA VAL 40 -3.125 6.339 0.210 295 HB VAL 40 HB VAL 40 -2.114 8.155 2.456 296 HG11 VAL 40 1HG1 VAL 40 -0.570 9.083 0.752 297 HG12 VAL 40 2HG1 VAL 40 -1.118 7.869 -0.406 298 HG13 VAL 40 3HG1 VAL 40 -0.256 7.374 1.053 299 HG21 VAL 40 3HG2 VAL 40 -4.208 9.023 1.497 300 HG22 VAL 40 1HG2 VAL 40 -3.536 8.897 -0.133 301 HG23 VAL 40 2HG2 VAL 40 -2.852 10.042 1.021 302 H GLY 41 H GLY 41 -2.696 5.717 3.664 303 HA2 GLY 41 2HA GLY 41 -0.062 4.716 3.721 304 HA3 GLY 41 3HA GLY 41 -1.313 4.380 4.906 305 H THR 42 H THR 42 -3.110 3.153 2.994 306 HA THR 42 HA THR 42 -2.384 0.459 3.050 307 HB THR 42 HB THR 42 -4.412 1.926 1.309 308 HG1 THR 42 HG1 THR 42 -5.808 1.398 2.900 309 HG21 THR 42 3HG2 THR 42 -5.464 -0.280 0.943 310 HG22 THR 42 1HG2 THR 42 -4.113 -1.064 1.766 311 HG23 THR 42 2HG2 THR 42 -3.850 -0.219 0.239 312 H TYR 43 H TYR 43 -2.309 2.798 0.329 313 HA TYR 43 HA TYR 43 -1.657 0.993 -1.698 314 HB2 TYR 43 2HB TYR 43 -1.224 3.993 -1.504 315 HB3 TYR 43 3HB TYR 43 -0.863 3.078 -2.966 316 HD1 TYR 43 HD1 TYR 43 -2.709 1.997 -4.263 317 HD2 TYR 43 HD2 TYR 43 -3.562 4.508 -0.904 318 HE1 TYR 43 HE1 TYR 43 -5.033 2.212 -5.009 319 HE2 TYR 43 HE2 TYR 43 -5.892 4.711 -1.669 320 HH TYR 43 HH TYR 43 -7.166 4.504 -3.722 321 H TYR 44 H TYR 44 0.537 3.096 0.203 322 HA TYR 44 HA TYR 44 2.959 2.331 -0.831 323 HB2 TYR 44 2HB TYR 44 2.568 4.151 0.841 324 HB3 TYR 44 3HB TYR 44 2.368 2.932 2.096 325 HD1 TYR 44 HD2 TYR 44 4.851 4.201 -0.431 326 HD2 TYR 44 HD1 TYR 44 4.299 2.147 3.282 327 HE1 TYR 44 HE2 TYR 44 7.281 4.230 -0.042 328 HE2 TYR 44 HE1 TYR 44 6.723 2.173 3.653 329 HH TYR 44 HH TYR 44 8.810 4.139 1.948 330 H HIS 45 H HIS 45 1.506 0.920 2.125 331 HA HIS 45 HA HIS 45 3.459 -1.103 2.454 332 HB2 HIS 45 2HB HIS 45 0.683 -0.788 3.661 333 HB3 HIS 45 3HB HIS 45 1.771 -2.097 4.116 334 HD1 HIS 45 HD1 HIS 45 3.265 -1.609 6.023 335 HD2 HIS 45 HD2 HIS 45 1.969 1.861 4.143 336 HE1 HIS 45 HE1 HIS 45 4.150 0.289 7.416 337 HE2 HIS 45 HE2 HIS 45 3.259 2.366 6.317 338 H LEU 46 H LEU 46 0.486 -1.119 0.653 339 HA LEU 46 HA LEU 46 0.239 -3.938 0.246 340 HB2 LEU 46 2HB LEU 46 -1.680 -2.428 0.045 341 HB3 LEU 46 3HB LEU 46 -0.907 -1.565 -1.271 342 HG LEU 46 HG LEU 46 -1.187 -3.472 -2.773 343 HD11 LEU 46 1HD1 LEU 46 -0.841 -5.317 -1.169 344 HD12 LEU 46 2HD1 LEU 46 -2.292 -5.548 -2.141 345 HD13 LEU 46 3HD1 LEU 46 -2.431 -5.002 -0.469 346 HD21 LEU 46 3HD2 LEU 46 -3.642 -3.582 -2.898 347 HD22 LEU 46 1HD2 LEU 46 -3.086 -1.938 -2.587 348 HD23 LEU 46 2HD2 LEU 46 -3.763 -2.904 -1.273 349 H GLY 47 H GLY 47 1.683 -1.227 -1.547 350 HA2 GLY 47 2HA GLY 47 2.504 -2.713 -3.833 351 HA3 GLY 47 3HA GLY 47 3.070 -1.125 -3.352 352 H LYS 48 H LYS 48 4.098 -1.782 -0.796 353 HA LYS 48 HA LYS 48 6.703 -2.680 -1.354 354 HB2 LYS 48 2HB LYS 48 5.246 -2.639 1.332 355 HB3 LYS 48 3HB LYS 48 6.979 -2.870 1.138 356 HG2 LYS 48 2HG LYS 48 5.415 -0.356 0.485 357 HG3 LYS 48 3HG LYS 48 6.473 -0.605 1.869 358 HD2 LYS 48 2HD LYS 48 7.303 -0.431 -1.057 359 HD3 LYS 48 3HD LYS 48 7.575 0.780 0.194 360 HE2 LYS 48 2HE LYS 48 9.667 -0.239 0.062 361 HE3 LYS 48 3HE LYS 48 8.931 -1.156 1.370 362 HZ1 LYS 48 3HZ LYS 48 8.458 -2.932 -0.141 363 HZ2 LYS 48 1HZ LYS 48 10.089 -2.536 -0.279 364 HZ3 LYS 48 2HZ LYS 48 8.993 -2.033 -1.467 365 H LEU 49 H LEU 49 3.857 -4.282 -0.069 366 HA LEU 49 HA LEU 49 5.005 -6.815 0.462 367 HB2 LEU 49 2HB LEU 49 2.960 -6.037 1.528 368 HB3 LEU 49 3HB LEU 49 2.126 -5.997 -0.016 369 HG LEU 49 HG LEU 49 2.105 -8.418 -0.165 370 HD11 LEU 49 1HD1 LEU 49 4.333 -8.943 0.717 371 HD12 LEU 49 2HD1 LEU 49 3.101 -9.892 1.542 372 HD13 LEU 49 3HD1 LEU 49 3.818 -8.495 2.345 373 HD21 LEU 49 3HD2 LEU 49 0.347 -7.398 1.227 374 HD22 LEU 49 1HD2 LEU 49 1.365 -7.570 2.660 375 HD23 LEU 49 2HD2 LEU 49 0.772 -9.004 1.815 376 H TYR 50 H TYR 50 3.273 -5.489 -2.371 377 HA TYR 50 HA TYR 50 3.273 -7.738 -4.010 378 HB2 TYR 50 2HB TYR 50 3.524 -4.796 -4.724 379 HB3 TYR 50 3HB TYR 50 3.477 -6.043 -5.962 380 HD1 TYR 50 HD1 TYR 50 1.385 -7.894 -4.868 381 HD2 TYR 50 HD2 TYR 50 1.480 -3.622 -5.032 382 HE1 TYR 50 HE1 TYR 50 -1.079 -7.825 -4.891 383 HE2 TYR 50 HE2 TYR 50 -0.962 -3.576 -5.041 384 HH TYR 50 HH TYR 50 -2.831 -4.911 -5.517 385 H GLU 51 H GLU 51 5.888 -5.313 -3.593 386 HA GLU 51 HA GLU 51 7.706 -6.359 -5.474 387 HB2 GLU 51 2HB GLU 51 8.330 -4.870 -2.904 388 HB3 GLU 51 3HB GLU 51 9.467 -5.131 -4.229 389 HG2 GLU 51 2HG GLU 51 7.891 -3.831 -5.709 390 HG3 GLU 51 3HG GLU 51 6.946 -3.448 -4.270 391 H ARG 52 H ARG 52 7.248 -7.152 -2.046 392 HA ARG 52 HA ARG 52 9.345 -9.003 -1.676 393 HB2 ARG 52 2HB ARG 52 6.564 -8.893 -0.423 394 HB3 ARG 52 3HB ARG 52 7.866 -9.929 0.166 395 HG2 ARG 52 2HG ARG 52 9.172 -8.051 0.865 396 HG3 ARG 52 3HG ARG 52 8.148 -6.916 -0.015 397 HD2 ARG 52 2HD ARG 52 7.760 -6.816 2.417 398 HD3 ARG 52 3HD ARG 52 6.310 -7.307 1.547 399 HE ARG 52 HE ARG 52 7.483 -9.668 2.286 400 HH11 ARG 52 1HH1 ARG 52 6.495 -6.830 4.121 401 HH12 ARG 52 2HH1 ARG 52 6.073 -7.747 5.532 402 HH21 ARG 52 1HH2 ARG 52 6.885 -10.849 4.139 403 HH22 ARG 52 2HH2 ARG 52 6.287 -10.018 5.542 404 H LEU 53 H LEU 53 6.062 -9.385 -2.914 405 HA LEU 53 HA LEU 53 6.188 -12.259 -3.262 406 HB2 LEU 53 2HB LEU 53 4.125 -10.212 -4.166 407 HB3 LEU 53 3HB LEU 53 3.902 -11.957 -4.195 408 HG LEU 53 HG LEU 53 4.333 -10.355 -1.641 409 HD11 LEU 53 1HD1 LEU 53 1.710 -11.316 -2.819 410 HD12 LEU 53 2HD1 LEU 53 2.240 -9.640 -2.665 411 HD13 LEU 53 3HD1 LEU 53 1.921 -10.594 -1.221 412 HD21 LEU 53 3HD2 LEU 53 3.525 -12.366 -0.486 413 HD22 LEU 53 1HD2 LEU 53 4.975 -12.716 -1.426 414 HD23 LEU 53 2HD2 LEU 53 3.393 -13.217 -2.027 415 H ASP 54 H ASP 54 7.925 -10.170 -4.956 416 HA ASP 54 HA ASP 54 8.697 -9.813 -7.048 417 HB2 ASP 54 2HB ASP 54 7.694 -12.659 -7.490 418 HB3 ASP 54 3HB ASP 54 8.751 -11.805 -8.609 419 H ARG 55 H ARG 55 5.937 -9.147 -6.451 420 HA ARG 55 HA ARG 55 4.727 -8.910 -9.138 421 HB2 ARG 55 2HB ARG 55 3.439 -8.281 -6.431 422 HB3 ARG 55 3HB ARG 55 2.637 -8.286 -7.996 423 HG2 ARG 55 2HG ARG 55 3.605 -10.643 -6.375 424 HG3 ARG 55 3HG ARG 55 1.956 -10.255 -6.872 425 HD2 ARG 55 2HD ARG 55 4.225 -11.360 -8.546 426 HD3 ARG 55 3HD ARG 55 2.623 -12.047 -8.272 427 HE ARG 55 HE ARG 55 2.044 -9.731 -9.533 428 HH11 ARG 55 1HH1 ARG 55 4.157 -12.401 -10.373 429 HH12 ARG 55 2HH1 ARG 55 4.151 -12.021 -12.064 430 HH21 ARG 55 1HH2 ARG 55 2.106 -9.206 -11.712 431 HH22 ARG 55 2HH2 ARG 55 2.972 -10.221 -12.827 432 H THR 56 H THR 56 7.022 -7.467 -8.636 433 HA THR 56 HA THR 56 6.794 -4.939 -7.430 434 HB THR 56 HB THR 56 8.678 -5.743 -9.693 435 HG1 THR 56 HG1 THR 56 9.251 -6.027 -6.933 436 HG21 THR 56 3HG2 THR 56 10.270 -4.187 -8.614 437 HG22 THR 56 1HG2 THR 56 9.054 -3.762 -7.408 438 HG23 THR 56 2HG2 THR 56 8.806 -3.335 -9.102 439 H ASP 57 H ASP 57 5.970 -6.061 -10.645 440 HA ASP 57 HA ASP 57 5.528 -3.571 -11.942 441 HB2 ASP 57 2HB ASP 57 4.250 -4.881 -13.619 442 HB3 ASP 57 3HB ASP 57 5.778 -5.659 -13.235 443 H ASP 58 H ASP 58 3.356 -5.787 -10.195 444 HA ASP 58 HA ASP 58 0.967 -4.258 -10.373 445 HB2 ASP 58 2HB ASP 58 1.837 -6.279 -8.257 446 HB3 ASP 58 3HB ASP 58 0.216 -5.592 -8.338 447 H ALA 59 H ALA 59 3.696 -4.152 -8.171 448 HA ALA 59 HA ALA 59 2.740 -2.423 -6.179 449 HB1 ALA 59 3HB ALA 59 4.843 -3.686 -5.961 450 HB2 ALA 59 1HB ALA 59 5.100 -1.961 -5.675 451 HB3 ALA 59 2HB ALA 59 5.584 -2.686 -7.208 452 H ILE 60 H ILE 60 4.307 -1.728 -9.318 453 HA ILE 60 HA ILE 60 4.670 1.040 -9.116 454 HB ILE 60 HB ILE 60 3.878 -0.385 -11.706 455 HG12 ILE 60 2HG1 ILE 60 5.748 -1.658 -10.792 456 HG13 ILE 60 3HG1 ILE 60 6.360 -0.681 -12.123 457 HG21 ILE 60 1HG2 ILE 60 5.502 2.152 -11.269 458 HG22 ILE 60 2HG2 ILE 60 3.855 2.056 -11.891 459 HG23 ILE 60 3HG2 ILE 60 5.192 1.398 -12.832 460 HD11 ILE 60 3HD1 ILE 60 6.690 -0.156 -9.178 461 HD12 ILE 60 1HD1 ILE 60 7.202 0.959 -10.456 462 HD13 ILE 60 2HD1 ILE 60 7.919 -0.646 -10.342 463 H ASP 61 H ASP 61 1.908 -0.804 -10.302 464 HA ASP 61 HA ASP 61 0.253 1.346 -11.103 465 HB2 ASP 61 2HB ASP 61 -0.004 -1.002 -11.901 466 HB3 ASP 61 3HB ASP 61 -0.515 -1.497 -10.291 467 H THR 62 H THR 62 0.596 -0.406 -8.050 468 HA THR 62 HA THR 62 -1.693 0.662 -6.733 469 HB THR 62 HB THR 62 0.825 -0.543 -5.497 470 HG1 THR 62 HG1 THR 62 -0.708 -1.686 -7.176 471 HG21 THR 62 3HG2 THR 62 -0.636 0.572 -3.820 472 HG22 THR 62 1HG2 THR 62 -0.647 -1.183 -3.623 473 HG23 THR 62 2HG2 THR 62 -2.009 -0.370 -4.399 474 H TYR 63 H TYR 63 1.752 1.508 -6.617 475 HA TYR 63 HA TYR 63 1.605 3.691 -4.850 476 HB2 TYR 63 2HB TYR 63 3.580 3.210 -7.115 477 HB3 TYR 63 3HB TYR 63 3.789 4.405 -5.837 478 HD1 TYR 63 HD2 TYR 63 3.011 2.862 -3.415 479 HD2 TYR 63 HD1 TYR 63 5.345 1.665 -6.783 480 HE1 TYR 63 HE2 TYR 63 4.191 1.220 -2.032 481 HE2 TYR 63 HE1 TYR 63 6.520 0.030 -5.391 482 HH TYR 63 HH TYR 63 7.010 -0.393 -3.111 483 H ALA 64 H ALA 64 1.406 3.511 -8.401 484 HA ALA 64 HA ALA 64 1.270 6.236 -9.032 485 HB1 ALA 64 3HB ALA 64 1.704 4.485 -10.703 486 HB2 ALA 64 1HB ALA 64 0.357 5.515 -11.199 487 HB3 ALA 64 2HB ALA 64 0.044 3.904 -10.542 488 H GLN 65 H GLN 65 -1.309 3.930 -8.262 489 HA GLN 65 HA GLN 65 -3.512 5.705 -8.658 490 HB2 GLN 65 2HB GLN 65 -3.240 2.952 -8.282 491 HB3 GLN 65 3HB GLN 65 -3.915 3.443 -6.737 492 HG2 GLN 65 2HG GLN 65 -5.243 4.400 -9.259 493 HG3 GLN 65 3HG GLN 65 -5.451 2.722 -8.786 494 HE21 GLN 65 1HE2 GLN 65 -5.360 5.444 -6.468 495 HE22 GLN 65 2HE2 GLN 65 -6.997 5.298 -5.993 496 H GLY 66 H GLY 66 -1.548 4.714 -5.919 497 HA2 GLY 66 2HA GLY 66 -2.787 6.113 -3.845 498 HA3 GLY 66 3HA GLY 66 -1.089 5.657 -3.903 499 H ILE 67 H ILE 67 -0.516 7.224 -6.309 500 HA ILE 67 HA ILE 67 0.331 9.652 -5.161 501 HB ILE 67 HB ILE 67 0.163 8.674 -8.037 502 HG12 ILE 67 2HG1 ILE 67 2.579 9.205 -6.245 503 HG13 ILE 67 3HG1 ILE 67 1.829 7.630 -6.457 504 HG21 ILE 67 1HG2 ILE 67 1.544 10.577 -8.791 505 HG22 ILE 67 2HG2 ILE 67 1.417 11.307 -7.194 506 HG23 ILE 67 3HG2 ILE 67 -0.023 11.125 -8.192 507 HD11 ILE 67 3HD1 ILE 67 2.421 7.673 -8.822 508 HD12 ILE 67 1HD1 ILE 67 3.826 7.829 -7.771 509 HD13 ILE 67 2HD1 ILE 67 3.189 9.249 -8.599 510 H GLU 68 H GLU 68 -2.496 8.870 -7.126 511 HA GLU 68 HA GLU 68 -3.497 11.448 -7.669 512 HB2 GLU 68 2HB GLU 68 -5.102 8.896 -7.192 513 HB3 GLU 68 3HB GLU 68 -5.654 10.320 -8.076 514 HG2 GLU 68 2HG GLU 68 -3.973 9.895 -9.827 515 HG3 GLU 68 3HG GLU 68 -3.365 8.509 -8.923 516 H VAL 69 H VAL 69 -4.058 9.234 -4.977 517 HA VAL 69 HA VAL 69 -5.757 11.134 -3.550 518 HB VAL 69 HB VAL 69 -6.174 9.390 -1.912 519 HG11 VAL 69 1HG1 VAL 69 -7.304 7.746 -3.374 520 HG12 VAL 69 2HG1 VAL 69 -6.373 8.324 -4.755 521 HG13 VAL 69 3HG1 VAL 69 -7.532 9.394 -3.962 522 HG21 VAL 69 3HG2 VAL 69 -5.228 7.110 -2.118 523 HG22 VAL 69 1HG2 VAL 69 -3.966 8.301 -1.801 524 HG23 VAL 69 2HG2 VAL 69 -4.181 7.656 -3.429 525 H ALA 70 H ALA 70 -2.391 10.366 -3.592 526 HA ALA 70 HA ALA 70 -1.819 10.924 -0.828 527 HB1 ALA 70 3HB ALA 70 -0.357 9.470 -2.154 528 HB2 ALA 70 1HB ALA 70 0.534 10.827 -1.466 529 HB3 ALA 70 2HB ALA 70 0.084 10.837 -3.174 530 H ARG 71 H ARG 71 -1.555 12.740 -3.856 531 HA ARG 71 HA ARG 71 -0.528 15.149 -2.832 532 HB2 ARG 71 2HB ARG 71 -1.371 16.160 -4.959 533 HB3 ARG 71 3HB ARG 71 -0.506 14.649 -5.226 534 HG2 ARG 71 2HG ARG 71 -2.735 13.479 -5.332 535 HG3 ARG 71 3HG ARG 71 -3.510 15.059 -5.248 536 HD2 ARG 71 2HD ARG 71 -2.318 15.678 -7.378 537 HD3 ARG 71 3HD ARG 71 -1.727 14.011 -7.468 538 HE ARG 71 HE ARG 71 -4.551 14.031 -7.148 539 HH11 ARG 71 1HH1 ARG 71 -2.115 14.581 -9.646 540 HH12 ARG 71 2HH1 ARG 71 -3.228 14.278 -10.945 541 HH21 ARG 71 1HH2 ARG 71 -5.960 13.641 -8.856 542 HH22 ARG 71 2HH2 ARG 71 -5.407 13.757 -10.501 543 H GLU 72 H GLU 72 -3.901 13.995 -3.093 544 HA GLU 72 HA GLU 72 -4.984 16.575 -2.212 545 HB2 GLU 72 2HB GLU 72 -6.314 14.042 -3.256 546 HB3 GLU 72 3HB GLU 72 -7.206 15.479 -2.752 547 HG2 GLU 72 2HG GLU 72 -6.105 16.823 -4.478 548 HG3 GLU 72 3HG GLU 72 -5.096 15.458 -4.940 549 H GLU 73 H GLU 73 -5.254 13.173 -1.164 550 HA GLU 73 HA GLU 73 -6.716 13.875 1.236 551 HB2 GLU 73 2HB GLU 73 -5.719 11.154 0.299 552 HB3 GLU 73 3HB GLU 73 -6.856 11.434 1.618 553 HG2 GLU 73 2HG GLU 73 -7.329 12.108 -1.305 554 HG3 GLU 73 3HG GLU 73 -7.979 10.707 -0.455 555 H GLY 74 H GLY 74 -3.484 12.607 0.442 556 HA2 GLY 74 2HA GLY 74 -2.681 12.618 3.285 557 HA3 GLY 74 3HA GLY 74 -1.802 11.900 1.938 558 H THR 75 H THR 75 -0.216 13.271 3.441 559 HA THR 75 HA THR 75 0.032 16.064 2.664 560 HB THR 75 HB THR 75 2.154 15.987 3.997 561 HG1 THR 75 HG1 THR 75 1.478 13.237 4.223 562 HG21 THR 75 3HG2 THR 75 0.024 16.469 5.183 563 HG22 THR 75 1HG2 THR 75 1.164 15.592 6.208 564 HG23 THR 75 2HG2 THR 75 -0.193 14.742 5.474 565 H GLN 76 H GLN 76 2.218 16.826 1.803 566 HA GLN 76 HA GLN 76 2.959 15.675 -0.652 567 HB2 GLN 76 2HB GLN 76 3.422 18.007 -0.263 568 HB3 GLN 76 3HB GLN 76 4.386 17.660 1.163 569 HG2 GLN 76 2HG GLN 76 5.788 18.341 -0.741 570 HG3 GLN 76 3HG GLN 76 6.158 16.700 -0.213 571 HE21 GLN 76 1HE2 GLN 76 7.035 16.054 -2.165 572 HE22 GLN 76 2HE2 GLN 76 6.107 15.858 -3.608 573 H LYS 77 H LYS 77 4.160 15.134 2.627 574 HA LYS 77 HA LYS 77 6.464 13.634 2.111 575 HB2 LYS 77 2HB LYS 77 5.887 14.359 4.371 576 HB3 LYS 77 3HB LYS 77 4.443 13.350 4.363 577 HG2 LYS 77 2HG LYS 77 5.859 11.315 4.273 578 HG3 LYS 77 3HG LYS 77 7.308 12.327 4.282 579 HD2 LYS 77 2HD LYS 77 6.732 13.158 6.521 580 HD3 LYS 77 3HD LYS 77 5.233 12.224 6.503 581 HE2 LYS 77 2HE LYS 77 6.535 10.126 6.432 582 HE3 LYS 77 3HE LYS 77 8.037 11.054 6.421 583 HZ1 LYS 77 3HZ LYS 77 7.480 11.921 8.584 584 HZ2 LYS 77 1HZ LYS 77 7.510 10.231 8.613 585 HZ3 LYS 77 2HZ LYS 77 6.029 11.051 8.602 586 H ASP 78 H ASP 78 3.068 12.529 2.452 587 HA ASP 78 HA ASP 78 3.481 9.759 2.037 588 HB2 ASP 78 2HB ASP 78 1.001 11.455 1.514 589 HB3 ASP 78 3HB ASP 78 1.011 9.698 1.421 590 H LEU 79 H LEU 79 2.652 12.376 -0.196 591 HA LEU 79 HA LEU 79 2.446 10.963 -2.586 592 HB2 LEU 79 2HB LEU 79 1.821 13.352 -2.274 593 HB3 LEU 79 3HB LEU 79 3.521 13.783 -2.157 594 HG LEU 79 HG LEU 79 3.858 13.064 -4.525 595 HD11 LEU 79 1HD1 LEU 79 0.864 12.567 -4.508 596 HD12 LEU 79 2HD1 LEU 79 2.138 11.358 -4.719 597 HD13 LEU 79 3HD1 LEU 79 1.888 12.594 -5.948 598 HD21 LEU 79 3HD2 LEU 79 1.644 15.115 -4.142 599 HD22 LEU 79 1HD2 LEU 79 2.626 14.927 -5.599 600 HD23 LEU 79 2HD2 LEU 79 3.381 15.426 -4.090 601 H SER 80 H SER 80 5.313 12.365 -1.018 602 HA SER 80 HA SER 80 7.185 11.768 -3.052 603 HB2 SER 80 2HB SER 80 7.632 12.342 -0.100 604 HB3 SER 80 3HB SER 80 8.897 12.334 -1.337 605 HG SER 80 HG SER 80 6.596 13.965 -1.557 606 H GLU 81 H GLU 81 5.986 9.914 -0.285 607 HA GLU 81 HA GLU 81 8.040 7.941 -0.242 608 HB2 GLU 81 2HB GLU 81 5.160 7.677 0.723 609 HB3 GLU 81 3HB GLU 81 6.482 6.584 1.127 610 HG2 GLU 81 2HG GLU 81 6.060 9.438 2.024 611 HG3 GLU 81 3HG GLU 81 6.137 7.983 3.012 612 H LEU 82 H LEU 82 4.855 8.071 -1.781 613 HA LEU 82 HA LEU 82 4.871 5.447 -2.886 614 HB2 LEU 82 2HB LEU 82 3.276 7.941 -3.540 615 HB3 LEU 82 3HB LEU 82 2.949 6.377 -4.278 616 HG LEU 82 HG LEU 82 2.876 6.811 -1.259 617 HD11 LEU 82 1HD1 LEU 82 0.427 6.895 -1.438 618 HD12 LEU 82 2HD1 LEU 82 0.558 6.930 -3.197 619 HD13 LEU 82 3HD1 LEU 82 1.199 8.262 -2.237 620 HD21 LEU 82 3HD2 LEU 82 3.180 4.478 -1.963 621 HD22 LEU 82 1HD2 LEU 82 1.747 4.585 -2.991 622 HD23 LEU 82 2HD2 LEU 82 1.595 4.723 -1.237 623 H GLN 83 H GLN 83 5.807 8.610 -4.162 624 HA GLN 83 HA GLN 83 6.279 7.792 -6.863 625 HB2 GLN 83 2HB GLN 83 7.203 10.228 -5.284 626 HB3 GLN 83 3HB GLN 83 7.493 10.017 -7.012 627 HG2 GLN 83 2HG GLN 83 5.134 10.071 -7.493 628 HG3 GLN 83 3HG GLN 83 4.724 10.017 -5.782 629 HE21 GLN 83 1HE2 GLN 83 6.690 11.970 -4.948 630 HE22 GLN 83 2HE2 GLN 83 6.140 13.502 -5.509 631 H ASP 84 H ASP 84 8.346 8.295 -4.016 632 HA ASP 84 HA ASP 84 10.875 7.671 -5.050 633 HB2 ASP 84 2HB ASP 84 10.607 8.701 -2.864 634 HB3 ASP 84 3HB ASP 84 9.676 7.337 -2.268 635 H ALA 85 H ALA 85 8.393 5.631 -3.601 636 HA ALA 85 HA ALA 85 9.808 3.193 -3.569 637 HB1 ALA 85 3HB ALA 85 7.624 2.179 -3.072 638 HB2 ALA 85 1HB ALA 85 6.809 3.667 -3.554 639 HB3 ALA 85 2HB ALA 85 7.852 3.654 -2.132 640 H LYS 86 H LYS 86 7.411 4.523 -5.907 641 HA LYS 86 HA LYS 86 7.447 2.189 -7.543 642 HB2 LYS 86 2HB LYS 86 6.078 3.352 -9.135 643 HB3 LYS 86 3HB LYS 86 5.523 3.774 -7.524 644 HG2 LYS 86 2HG LYS 86 6.567 5.958 -7.666 645 HG3 LYS 86 3HG LYS 86 7.300 5.549 -9.219 646 HD2 LYS 86 2HD LYS 86 4.312 5.789 -8.680 647 HD3 LYS 86 3HD LYS 86 5.318 6.997 -9.480 648 HE2 LYS 86 2HE LYS 86 5.828 5.261 -11.255 649 HE3 LYS 86 3HE LYS 86 4.610 4.226 -10.509 650 HZ1 LYS 86 3HZ LYS 86 3.750 5.508 -12.377 651 HZ2 LYS 86 1HZ LYS 86 4.114 6.949 -11.573 652 HZ3 LYS 86 2HZ LYS 86 2.953 5.900 -10.942 653 H LEU 87 H LEU 87 9.351 5.209 -7.640 654 HA LEU 87 HA LEU 87 10.217 4.830 -10.333 655 HB2 LEU 87 2HB LEU 87 11.640 6.718 -10.093 656 HB3 LEU 87 3HB LEU 87 10.170 7.054 -9.208 657 HG LEU 87 HG LEU 87 11.630 6.306 -7.092 658 HD11 LEU 87 1HD1 LEU 87 14.002 6.965 -7.268 659 HD12 LEU 87 2HD1 LEU 87 13.818 7.195 -9.008 660 HD13 LEU 87 3HD1 LEU 87 13.642 5.587 -8.304 661 HD21 LEU 87 3HD2 LEU 87 10.656 8.527 -7.349 662 HD22 LEU 87 1HD2 LEU 87 11.960 9.004 -8.439 663 HD23 LEU 87 2HD2 LEU 87 12.304 8.658 -6.741 664 H LYS 88 H LYS 88 11.651 3.977 -7.176 665 HA LYS 88 HA LYS 88 14.056 2.885 -8.297 666 HB2 LYS 88 2HB LYS 88 14.597 2.112 -6.106 667 HB3 LYS 88 3HB LYS 88 13.815 3.666 -5.926 668 HG2 LYS 88 2HG LYS 88 12.828 2.552 -4.196 669 HG3 LYS 88 3HG LYS 88 11.657 2.180 -5.460 670 HD2 LYS 88 2HD LYS 88 12.708 -0.035 -5.788 671 HD3 LYS 88 3HD LYS 88 13.931 0.348 -4.573 672 HE2 LYS 88 2HE LYS 88 12.133 -1.095 -3.666 673 HE3 LYS 88 3HE LYS 88 12.219 0.455 -2.835 674 HZ1 LYS 88 3HZ LYS 88 10.366 1.226 -4.211 675 HZ2 LYS 88 1HZ LYS 88 9.955 -0.121 -3.282 676 HZ3 LYS 88 2HZ LYS 88 10.265 -0.302 -4.930 677 H ALA 89 H ALA 89 10.876 1.574 -7.510 678 HA ALA 89 HA ALA 89 11.413 -1.159 -8.066 679 HB1 ALA 89 3HB ALA 89 8.958 -1.386 -8.024 680 HB2 ALA 89 1HB ALA 89 8.797 0.376 -8.020 681 HB3 ALA 89 2HB ALA 89 9.549 -0.449 -6.651 682 H GLU 90 H GLU 90 10.404 1.565 -10.081 683 HA GLU 90 HA GLU 90 9.993 0.078 -12.493 684 HB2 GLU 90 2HB GLU 90 10.489 3.037 -12.010 685 HB3 GLU 90 3HB GLU 90 10.257 2.366 -13.627 686 HG2 GLU 90 2HG GLU 90 8.034 1.577 -12.995 687 HG3 GLU 90 3HG GLU 90 8.247 2.189 -11.363 688 H GLY 91 H GLY 91 12.759 1.461 -10.881 689 HA2 GLY 91 2HA GLY 91 14.724 1.077 -12.900 690 HA3 GLY 91 3HA GLY 91 15.007 1.072 -11.163 691 H LEU 92 H LEU 92 13.380 -1.044 -10.391 692 HA LEU 92 HA LEU 92 14.803 -3.423 -11.058 693 HB2 LEU 92 2HB LEU 92 12.047 -3.132 -9.789 694 HB3 LEU 92 3HB LEU 92 13.027 -4.592 -9.778 695 HG LEU 92 HG LEU 92 13.784 -1.986 -8.390 696 HD11 LEU 92 1HD1 LEU 92 13.241 -3.119 -6.281 697 HD12 LEU 92 2HD1 LEU 92 12.705 -4.547 -7.169 698 HD13 LEU 92 3HD1 LEU 92 11.822 -3.027 -7.327 699 HD21 LEU 92 3HD2 LEU 92 15.104 -4.727 -8.254 700 HD22 LEU 92 1HD2 LEU 92 15.552 -3.312 -7.292 701 HD23 LEU 92 2HD2 LEU 92 15.769 -3.293 -9.039 702 H GLU 93 H GLU 93 11.763 -1.976 -12.179 703 HA GLU 93 HA GLU 93 11.111 -4.274 -13.866 704 HB2 GLU 93 2HB GLU 93 9.549 -1.752 -13.214 705 HB3 GLU 93 3HB GLU 93 8.968 -3.013 -14.303 706 HG2 GLU 93 2HG GLU 93 9.555 -3.307 -11.336 707 HG3 GLU 93 3HG GLU 93 7.966 -3.277 -12.097 708 H HIS 94 H HIS 94 13.152 -1.808 -14.322 709 HA HIS 94 HA HIS 94 12.469 -1.191 -17.105 710 HB2 HIS 94 2HB HIS 94 13.522 0.520 -15.534 711 HB3 HIS 94 3HB HIS 94 14.994 -0.435 -15.557 712 HD1 HIS 94 HD1 HIS 94 16.668 0.586 -17.072 713 HD2 HIS 94 HD2 HIS 94 12.798 1.183 -18.481 714 HE1 HIS 94 HE1 HIS 94 16.913 1.965 -19.157 715 HE2 HIS 94 HE2 HIS 94 14.580 2.224 -20.051 716 H HIS 95 H HIS 95 12.427 -3.553 -17.493 717 HA HIS 95 HA HIS 95 15.022 -4.927 -17.713 718 HB2 HIS 95 2HB HIS 95 12.251 -5.982 -18.447 719 HB3 HIS 95 3HB HIS 95 13.724 -6.928 -18.299 720 HD1 HIS 95 HD1 HIS 95 14.535 -7.482 -15.845 721 HD2 HIS 95 HD2 HIS 95 10.901 -5.482 -16.062 722 HE1 HIS 95 HE1 HIS 95 13.465 -7.776 -13.589 723 HE2 HIS 95 HE2 HIS 95 11.322 -6.461 -13.708 724 H HIS 96 H HIS 96 15.435 -6.117 -19.804 725 HA HIS 96 HA HIS 96 15.249 -4.359 -22.093 726 HB2 HIS 96 2HB HIS 96 17.302 -5.670 -21.673 727 HB3 HIS 96 3HB HIS 96 16.393 -7.173 -21.800 728 HD1 HIS 96 HD1 HIS 96 16.525 -8.255 -24.029 729 HD2 HIS 96 HD2 HIS 96 17.180 -4.157 -24.301 730 HE1 HIS 96 HE1 HIS 96 17.151 -7.827 -26.416 731 HE2 HIS 96 HE2 HIS 96 17.639 -5.369 -26.543 732 H HIS 97 H HIS 97 13.641 -4.422 -23.637 733 HA HIS 97 HA HIS 97 11.448 -6.255 -23.461 734 HB2 HIS 97 2HB HIS 97 12.166 -4.144 -25.537 735 HB3 HIS 97 3HB HIS 97 10.704 -5.123 -25.637 736 HD1 HIS 97 HD1 HIS 97 11.876 -1.974 -24.316 737 HD2 HIS 97 HD2 HIS 97 9.026 -4.779 -23.180 738 HE1 HIS 97 HE1 HIS 97 10.324 -0.773 -22.740 739 HE2 HIS 97 HE2 HIS 97 8.640 -2.503 -22.034 740 H HIS 98 H HIS 98 10.651 -7.381 -25.511 741 HA HIS 98 HA HIS 98 10.740 -9.352 -26.589 742 HB2 HIS 98 2HB HIS 98 13.717 -8.789 -27.002 743 HB3 HIS 98 3HB HIS 98 12.879 -10.173 -27.688 744 HD1 HIS 98 HD1 HIS 98 12.741 -9.749 -30.092 745 HD2 HIS 98 HD2 HIS 98 11.968 -6.305 -27.907 746 HE1 HIS 98 HE1 HIS 98 12.211 -7.984 -31.789 747 HE2 HIS 98 HE2 HIS 98 11.521 -5.980 -30.435 748 H HIS 99 H HIS 99 13.965 -9.367 -25.089 749 HA HIS 99 HA HIS 99 13.300 -10.457 -22.617 750 HB2 HIS 99 2HB HIS 99 12.828 -12.556 -23.967 751 HB3 HIS 99 3HB HIS 99 14.516 -12.574 -24.471 752 HD1 HIS 99 HD1 HIS 99 15.970 -14.012 -23.036 753 HD2 HIS 99 HD2 HIS 99 12.646 -12.651 -20.957 754 HE1 HIS 99 HE1 HIS 99 16.100 -15.091 -20.774 755 HE2 HIS 99 HE2 HIS 99 14.186 -14.100 -19.479 Start of MODEL 6 1 H1 GLU 1 1H GLU 1 -9.660 3.176 16.522 2 H2 GLU 1 2H GLU 1 -10.977 2.458 15.751 3 H3 GLU 1 3H GLU 1 -9.463 1.716 15.695 4 HA GLU 1 HA GLU 1 -9.498 1.316 18.032 5 HB2 GLU 1 2HB GLU 1 -10.825 3.304 18.678 6 HB3 GLU 1 3HB GLU 1 -12.253 2.613 17.910 7 HG2 GLU 1 2HG GLU 1 -12.276 0.784 19.555 8 HG3 GLU 1 3HG GLU 1 -10.811 1.413 20.302 9 H ASP 2 H ASP 2 -12.706 1.183 16.491 10 HA ASP 2 HA ASP 2 -13.302 -1.521 17.031 11 HB2 ASP 2 2HB ASP 2 -14.967 0.251 16.395 12 HB3 ASP 2 3HB ASP 2 -14.321 0.261 14.765 13 HA PRO 3 HA PRO 3 -10.539 -3.688 14.217 14 HB2 PRO 3 2HB PRO 3 -12.130 -5.887 13.508 15 HB3 PRO 3 3HB PRO 3 -11.194 -5.753 15.001 16 HG2 PRO 3 2HG PRO 3 -14.112 -5.129 14.536 17 HG3 PRO 3 3HG PRO 3 -13.364 -6.036 15.871 18 HD2 PRO 3 2HD PRO 3 -14.087 -3.503 16.239 19 HD3 PRO 3 3HD PRO 3 -12.536 -4.072 16.901 20 H GLU 4 H GLU 4 -13.808 -2.935 13.071 21 HA GLU 4 HA GLU 4 -13.196 -3.386 10.278 22 HB2 GLU 4 2HB GLU 4 -15.647 -2.104 11.530 23 HB3 GLU 4 3HB GLU 4 -15.485 -2.562 9.835 24 HG2 GLU 4 2HG GLU 4 -15.154 -4.958 10.614 25 HG3 GLU 4 3HG GLU 4 -15.564 -4.414 12.240 26 H ASP 5 H ASP 5 -12.611 -0.798 12.406 27 HA ASP 5 HA ASP 5 -12.730 1.424 10.632 28 HB2 ASP 5 2HB ASP 5 -10.934 0.965 13.053 29 HB3 ASP 5 3HB ASP 5 -11.056 2.498 12.196 30 HA PRO 6 HA PRO 6 -9.595 0.584 7.587 31 HB2 PRO 6 2HB PRO 6 -8.860 3.494 8.009 32 HB3 PRO 6 3HB PRO 6 -9.085 2.606 6.491 33 HG2 PRO 6 2HG PRO 6 -11.023 4.178 7.387 34 HG3 PRO 6 3HG PRO 6 -11.427 2.586 6.705 35 HD2 PRO 6 2HD PRO 6 -11.348 3.455 9.587 36 HD3 PRO 6 3HD PRO 6 -12.460 2.329 8.777 37 H PHE 7 H PHE 7 -8.355 2.700 10.212 38 HA PHE 7 HA PHE 7 -5.620 2.064 9.832 39 HB2 PHE 7 2HB PHE 7 -6.247 4.144 10.918 40 HB3 PHE 7 3HB PHE 7 -7.056 3.281 12.220 41 HD1 PHE 7 HD2 PHE 7 -3.668 3.831 10.692 42 HD2 PHE 7 HD1 PHE 7 -5.851 2.729 14.203 43 HE1 PHE 7 HE2 PHE 7 -1.589 3.863 12.010 44 HE2 PHE 7 HE1 PHE 7 -3.765 2.755 15.504 45 HZ PHE 7 HZ PHE 7 -1.633 3.324 14.412 46 H THR 8 H THR 8 -8.108 0.591 11.899 47 HA THR 8 HA THR 8 -6.362 -0.795 13.649 48 HB THR 8 HB THR 8 -9.216 -1.655 12.983 49 HG1 THR 8 HG1 THR 8 -9.887 0.099 13.959 50 HG21 THR 8 3HG2 THR 8 -7.941 -3.207 14.470 51 HG22 THR 8 1HG2 THR 8 -9.249 -2.403 15.346 52 HG23 THR 8 2HG2 THR 8 -7.584 -1.860 15.555 53 H ARG 9 H ARG 9 -8.171 -1.904 10.765 54 HA ARG 9 HA ARG 9 -7.036 -4.559 10.780 55 HB2 ARG 9 2HB ARG 9 -8.295 -4.863 8.652 56 HB3 ARG 9 3HB ARG 9 -9.287 -4.297 9.987 57 HG2 ARG 9 2HG ARG 9 -8.747 -1.904 8.876 58 HG3 ARG 9 3HG ARG 9 -8.528 -2.910 7.442 59 HD2 ARG 9 2HD ARG 9 -11.032 -2.739 9.162 60 HD3 ARG 9 3HD ARG 9 -10.812 -2.057 7.551 61 HE ARG 9 HE ARG 9 -10.784 -4.273 6.640 62 HH11 ARG 9 1HH1 ARG 9 -11.597 -4.292 10.044 63 HH12 ARG 9 2HH1 ARG 9 -12.596 -5.700 9.923 64 HH21 ARG 9 1HH2 ARG 9 -12.099 -6.145 6.518 65 HH22 ARG 9 2HH2 ARG 9 -12.871 -6.746 7.954 66 H TYR 10 H TYR 10 -6.278 -1.537 9.222 67 HA TYR 10 HA TYR 10 -4.269 -2.291 7.406 68 HB2 TYR 10 2HB TYR 10 -5.086 -0.018 7.505 69 HB3 TYR 10 3HB TYR 10 -4.625 0.145 9.188 70 HD1 TYR 10 HD1 TYR 10 -3.099 -0.403 5.790 71 HD2 TYR 10 HD2 TYR 10 -2.615 1.253 9.702 72 HE1 TYR 10 HE1 TYR 10 -0.989 0.648 5.097 73 HE2 TYR 10 HE2 TYR 10 -0.514 2.298 8.998 74 HH TYR 10 HH TYR 10 0.405 2.575 5.777 75 H ALA 11 H ALA 11 -4.074 -1.479 10.858 76 HA ALA 11 HA ALA 11 -1.336 -1.977 11.295 77 HB1 ALA 11 3HB ALA 11 -2.733 -0.677 12.865 78 HB2 ALA 11 1HB ALA 11 -1.934 -2.014 13.694 79 HB3 ALA 11 2HB ALA 11 -3.645 -2.131 13.274 80 H LEU 12 H LEU 12 -4.188 -4.038 11.401 81 HA LEU 12 HA LEU 12 -3.088 -6.377 12.568 82 HB2 LEU 12 2HB LEU 12 -5.530 -5.902 12.381 83 HB3 LEU 12 3HB LEU 12 -5.426 -6.067 10.639 84 HG LEU 12 HG LEU 12 -4.831 -8.483 10.920 85 HD11 LEU 12 1HD1 LEU 12 -5.109 -9.582 13.085 86 HD12 LEU 12 2HD1 LEU 12 -5.356 -8.023 13.872 87 HD13 LEU 12 3HD1 LEU 12 -3.799 -8.407 13.130 88 HD21 LEU 12 3HD2 LEU 12 -7.445 -7.685 12.254 89 HD22 LEU 12 1HD2 LEU 12 -7.072 -9.267 11.558 90 HD23 LEU 12 2HD2 LEU 12 -7.166 -7.848 10.518 91 H ALA 13 H ALA 13 -3.361 -5.226 9.229 92 HA ALA 13 HA ALA 13 -2.439 -7.532 7.862 93 HB1 ALA 13 3HB ALA 13 -2.320 -4.617 7.008 94 HB2 ALA 13 1HB ALA 13 -3.676 -5.716 6.745 95 HB3 ALA 13 2HB ALA 13 -2.133 -6.013 5.944 96 H GLN 14 H GLN 14 -0.780 -4.602 9.003 97 HA GLN 14 HA GLN 14 1.821 -5.132 8.162 98 HB2 GLN 14 2HB GLN 14 0.897 -3.638 10.652 99 HB3 GLN 14 3HB GLN 14 2.513 -3.545 9.953 100 HG2 GLN 14 2HG GLN 14 1.525 -2.622 7.868 101 HG3 GLN 14 3HG GLN 14 -0.059 -2.646 8.635 102 HE21 GLN 14 1HE2 GLN 14 1.540 -0.420 7.573 103 HE22 GLN 14 2HE2 GLN 14 1.669 0.716 8.863 104 H GLU 15 H GLU 15 0.126 -6.227 11.073 105 HA GLU 15 HA GLU 15 2.337 -7.525 12.323 106 HB2 GLU 15 2HB GLU 15 -0.640 -8.106 12.620 107 HB3 GLU 15 3HB GLU 15 0.628 -8.648 13.723 108 HG2 GLU 15 2HG GLU 15 1.149 -6.278 14.241 109 HG3 GLU 15 3HG GLU 15 -0.158 -5.770 13.183 110 H HIS 16 H HIS 16 -0.136 -8.627 10.012 111 HA HIS 16 HA HIS 16 0.475 -11.380 9.985 112 HB2 HIS 16 2HB HIS 16 -0.624 -9.663 7.726 113 HB3 HIS 16 3HB HIS 16 -0.585 -11.423 7.712 114 HD1 HIS 16 HD1 HIS 16 -1.617 -11.789 10.683 115 HD2 HIS 16 HD2 HIS 16 -3.351 -9.396 7.771 116 HE1 HIS 16 HE1 HIS 16 -4.027 -11.590 11.322 117 HE2 HIS 16 HE2 HIS 16 -5.031 -10.058 9.605 118 H LEU 17 H LEU 17 2.064 -8.662 8.392 119 HA LEU 17 HA LEU 17 3.565 -9.987 6.433 120 HB2 LEU 17 2HB LEU 17 4.296 -7.521 8.063 121 HB3 LEU 17 3HB LEU 17 5.130 -8.028 6.599 122 HG LEU 17 HG LEU 17 2.223 -7.125 6.767 123 HD11 LEU 17 1HD1 LEU 17 3.777 -5.257 7.021 124 HD12 LEU 17 2HD1 LEU 17 2.949 -5.178 5.468 125 HD13 LEU 17 3HD1 LEU 17 4.624 -5.732 5.549 126 HD21 LEU 17 3HD2 LEU 17 2.217 -7.255 4.321 127 HD22 LEU 17 1HD2 LEU 17 2.499 -8.837 5.045 128 HD23 LEU 17 2HD2 LEU 17 3.845 -7.939 4.337 129 H LYS 18 H LYS 18 4.517 -9.211 9.812 130 HA LYS 18 HA LYS 18 7.037 -10.601 9.638 131 HB2 LYS 18 2HB LYS 18 7.265 -10.131 12.046 132 HB3 LYS 18 3HB LYS 18 6.783 -8.688 11.165 133 HG2 LYS 18 2HG LYS 18 4.446 -9.012 11.922 134 HG3 LYS 18 3HG LYS 18 4.945 -10.429 12.849 135 HD2 LYS 18 2HD LYS 18 5.923 -7.575 13.295 136 HD3 LYS 18 3HD LYS 18 4.706 -8.403 14.267 137 HE2 LYS 18 2HE LYS 18 6.397 -10.058 14.977 138 HE3 LYS 18 3HE LYS 18 7.617 -9.240 13.998 139 HZ1 LYS 18 3HZ LYS 18 7.409 -7.301 15.365 140 HZ2 LYS 18 1HZ LYS 18 7.712 -8.634 16.352 141 HZ3 LYS 18 2HZ LYS 18 6.151 -7.990 16.260 142 H HIS 19 H HIS 19 3.781 -11.476 10.522 143 HA HIS 19 HA HIS 19 4.492 -14.045 11.677 144 HB2 HIS 19 2HB HIS 19 1.873 -12.621 11.123 145 HB3 HIS 19 3HB HIS 19 1.878 -14.330 11.533 146 HD1 HIS 19 HD1 HIS 19 2.322 -14.976 13.958 147 HD2 HIS 19 HD2 HIS 19 2.630 -10.889 13.280 148 HE1 HIS 19 HE1 HIS 19 2.405 -13.917 16.229 149 HE2 HIS 19 HE2 HIS 19 2.487 -11.439 15.791 150 H ASP 20 H ASP 20 4.610 -13.033 8.586 151 HA ASP 20 HA ASP 20 5.024 -14.095 6.641 152 HB2 ASP 20 2HB ASP 20 6.140 -15.827 8.069 153 HB3 ASP 20 3HB ASP 20 4.617 -16.697 8.180 154 H ASN 21 H ASN 21 2.097 -13.900 7.982 155 HA ASN 21 HA ASN 21 0.520 -15.322 5.965 156 HB2 ASN 21 2HB ASN 21 -0.276 -13.544 8.325 157 HB3 ASN 21 3HB ASN 21 -1.436 -14.283 7.226 158 HD21 ASN 21 1HD2 ASN 21 -1.780 -16.533 7.320 159 HD22 ASN 21 2HD2 ASN 21 -1.264 -17.475 8.673 160 H ALA 22 H ALA 22 2.134 -13.767 4.630 161 HA ALA 22 HA ALA 22 1.580 -11.086 4.134 162 HB1 ALA 22 3HB ALA 22 2.796 -11.437 2.019 163 HB2 ALA 22 1HB ALA 22 2.640 -13.182 2.210 164 HB3 ALA 22 2HB ALA 22 3.608 -12.253 3.353 165 H SER 23 H SER 23 0.151 -13.999 2.726 166 HA SER 23 HA SER 23 -1.490 -12.980 0.741 167 HB2 SER 23 2HB SER 23 -2.125 -15.303 2.608 168 HB3 SER 23 3HB SER 23 -2.805 -15.039 1.003 169 HG SER 23 HG SER 23 -0.482 -15.092 0.326 170 H ARG 24 H ARG 24 -2.232 -13.323 4.243 171 HA ARG 24 HA ARG 24 -4.919 -12.333 4.053 172 HB2 ARG 24 2HB ARG 24 -3.079 -12.824 6.440 173 HB3 ARG 24 3HB ARG 24 -4.771 -12.349 6.587 174 HG2 ARG 24 2HG ARG 24 -3.807 -14.895 5.230 175 HG3 ARG 24 3HG ARG 24 -4.404 -14.794 6.891 176 HD2 ARG 24 2HD ARG 24 -6.590 -14.038 6.083 177 HD3 ARG 24 3HD ARG 24 -6.002 -14.053 4.422 178 HE ARG 24 HE ARG 24 -5.620 -16.614 5.486 179 HH11 ARG 24 1HH1 ARG 24 -8.313 -14.563 4.558 180 HH12 ARG 24 2HH1 ARG 24 -9.369 -15.897 4.236 181 HH21 ARG 24 1HH2 ARG 24 -7.021 -18.355 5.020 182 HH22 ARG 24 2HH2 ARG 24 -8.652 -18.032 4.528 183 H ALA 25 H ALA 25 -1.769 -10.985 4.871 184 HA ALA 25 HA ALA 25 -2.525 -8.391 5.709 185 HB1 ALA 25 3HB ALA 25 -0.001 -9.266 4.249 186 HB2 ALA 25 1HB ALA 25 -0.241 -9.302 5.997 187 HB3 ALA 25 2HB ALA 25 -0.208 -7.758 5.145 188 H LEU 26 H LEU 26 -1.924 -9.850 2.590 189 HA LEU 26 HA LEU 26 -1.890 -7.560 0.928 190 HB2 LEU 26 2HB LEU 26 -1.016 -9.882 0.350 191 HB3 LEU 26 3HB LEU 26 -2.680 -10.409 0.185 192 HG LEU 26 HG LEU 26 -2.937 -8.670 -1.669 193 HD11 LEU 26 1HD1 LEU 26 -0.919 -7.819 -2.741 194 HD12 LEU 26 2HD1 LEU 26 0.084 -8.535 -1.480 195 HD13 LEU 26 3HD1 LEU 26 -1.041 -7.234 -1.084 196 HD21 LEU 26 3HD2 LEU 26 -2.672 -11.065 -2.165 197 HD22 LEU 26 1HD2 LEU 26 -0.916 -10.890 -2.133 198 HD23 LEU 26 2HD2 LEU 26 -1.864 -10.072 -3.375 199 H ALA 27 H ALA 27 -4.353 -9.962 1.693 200 HA ALA 27 HA ALA 27 -6.532 -8.990 0.272 201 HB1 ALA 27 3HB ALA 27 -7.892 -10.398 1.758 202 HB2 ALA 27 1HB ALA 27 -6.541 -10.535 2.884 203 HB3 ALA 27 2HB ALA 27 -6.421 -11.237 1.271 204 H LEU 28 H LEU 28 -5.603 -8.272 3.673 205 HA LEU 28 HA LEU 28 -7.759 -6.577 4.311 206 HB2 LEU 28 2HB LEU 28 -4.947 -6.775 5.428 207 HB3 LEU 28 3HB LEU 28 -6.110 -5.622 6.070 208 HG LEU 28 HG LEU 28 -6.448 -8.652 6.085 209 HD11 LEU 28 1HD1 LEU 28 -6.134 -8.472 8.513 210 HD12 LEU 28 2HD1 LEU 28 -5.832 -6.740 8.361 211 HD13 LEU 28 3HD1 LEU 28 -4.714 -7.901 7.643 212 HD21 LEU 28 3HD2 LEU 28 -8.621 -7.526 5.897 213 HD22 LEU 28 1HD2 LEU 28 -8.229 -6.488 7.272 214 HD23 LEU 28 2HD2 LEU 28 -8.429 -8.226 7.500 215 H PHE 29 H PHE 29 -4.531 -5.793 2.977 216 HA PHE 29 HA PHE 29 -4.857 -2.982 2.932 217 HB2 PHE 29 2HB PHE 29 -3.083 -4.820 1.292 218 HB3 PHE 29 3HB PHE 29 -3.027 -3.073 1.141 219 HD1 PHE 29 HD1 PHE 29 -3.085 -2.168 3.975 220 HD2 PHE 29 HD2 PHE 29 -0.999 -5.448 2.178 221 HE1 PHE 29 HE1 PHE 29 -1.341 -2.022 5.704 222 HE2 PHE 29 HE2 PHE 29 0.733 -5.297 3.925 223 HZ PHE 29 HZ PHE 29 0.563 -3.580 5.688 224 H GLU 30 H GLU 30 -5.402 -5.456 0.400 225 HA GLU 30 HA GLU 30 -6.226 -3.791 -1.703 226 HB2 GLU 30 2HB GLU 30 -6.954 -6.674 -1.071 227 HB3 GLU 30 3HB GLU 30 -7.380 -5.880 -2.583 228 HG2 GLU 30 2HG GLU 30 -4.973 -5.562 -3.081 229 HG3 GLU 30 3HG GLU 30 -4.561 -6.388 -1.576 230 H GLU 31 H GLU 31 -8.004 -5.254 0.962 231 HA GLU 31 HA GLU 31 -10.643 -4.671 0.179 232 HB2 GLU 31 2HB GLU 31 -10.200 -6.293 1.924 233 HB3 GLU 31 3HB GLU 31 -9.314 -5.109 2.874 234 HG2 GLU 31 2HG GLU 31 -11.420 -3.884 3.316 235 HG3 GLU 31 3HG GLU 31 -12.304 -5.088 2.368 236 H LEU 32 H LEU 32 -8.289 -2.918 2.199 237 HA LEU 32 HA LEU 32 -9.865 -0.729 2.950 238 HB2 LEU 32 2HB LEU 32 -6.866 -1.007 2.601 239 HB3 LEU 32 3HB LEU 32 -7.604 0.455 3.250 240 HG LEU 32 HG LEU 32 -7.819 -2.318 4.497 241 HD11 LEU 32 1HD1 LEU 32 -5.551 -1.429 4.705 242 HD12 LEU 32 2HD1 LEU 32 -6.364 -1.450 6.268 243 HD13 LEU 32 3HD1 LEU 32 -6.184 0.071 5.391 244 HD21 LEU 32 3HD2 LEU 32 -9.824 -1.018 4.945 245 HD22 LEU 32 1HD2 LEU 32 -8.853 0.369 5.466 246 HD23 LEU 32 2HD2 LEU 32 -8.845 -1.123 6.402 247 H VAL 33 H VAL 33 -7.808 -1.193 0.075 248 HA VAL 33 HA VAL 33 -8.079 1.397 -1.011 249 HB VAL 33 HB VAL 33 -7.514 -1.261 -2.415 250 HG11 VAL 33 1HG1 VAL 33 -7.142 1.559 -3.508 251 HG12 VAL 33 2HG1 VAL 33 -8.320 0.372 -4.069 252 HG13 VAL 33 3HG1 VAL 33 -6.598 0.072 -4.295 253 HG21 VAL 33 3HG2 VAL 33 -5.136 -0.548 -2.343 254 HG22 VAL 33 1HG2 VAL 33 -5.823 -0.678 -0.723 255 HG23 VAL 33 2HG2 VAL 33 -5.599 0.909 -1.459 256 H GLU 34 H GLU 34 -9.840 -1.626 -1.816 257 HA GLU 34 HA GLU 34 -11.505 -0.449 -3.772 258 HB2 GLU 34 2HB GLU 34 -12.695 -2.583 -3.829 259 HB3 GLU 34 3HB GLU 34 -10.953 -2.836 -3.776 260 HG2 GLU 34 2HG GLU 34 -11.139 -3.297 -1.328 261 HG3 GLU 34 3HG GLU 34 -12.889 -3.147 -1.462 262 H THR 35 H THR 35 -11.958 -0.749 -0.273 263 HA THR 35 HA THR 35 -14.793 -0.009 -0.435 264 HB THR 35 HB THR 35 -14.773 -0.211 2.053 265 HG1 THR 35 HG1 THR 35 -12.314 -1.411 2.248 266 HG21 THR 35 3HG2 THR 35 -15.244 -2.234 0.702 267 HG22 THR 35 1HG2 THR 35 -14.409 -2.648 2.201 268 HG23 THR 35 2HG2 THR 35 -13.522 -2.621 0.675 269 H ASP 36 H ASP 36 -11.667 1.380 0.401 270 HA ASP 36 HA ASP 36 -12.819 4.081 0.625 271 HB2 ASP 36 2HB ASP 36 -12.660 3.079 2.957 272 HB3 ASP 36 3HB ASP 36 -10.921 2.943 2.732 273 HA PRO 37 HA PRO 37 -9.017 3.987 -2.084 274 HB2 PRO 37 2HB PRO 37 -9.878 6.009 -3.759 275 HB3 PRO 37 3HB PRO 37 -10.322 4.309 -3.975 276 HG2 PRO 37 2HG PRO 37 -11.889 6.514 -2.631 277 HG3 PRO 37 3HG PRO 37 -12.441 5.306 -3.813 278 HD2 PRO 37 2HD PRO 37 -12.918 4.976 -1.189 279 HD3 PRO 37 3HD PRO 37 -12.514 3.588 -2.228 280 H ASP 38 H ASP 38 -10.470 6.341 -0.057 281 HA ASP 38 HA ASP 38 -8.717 8.534 -0.358 282 HB2 ASP 38 2HB ASP 38 -10.908 8.777 0.681 283 HB3 ASP 38 3HB ASP 38 -10.495 7.612 1.932 284 H TYR 39 H TYR 39 -8.571 5.603 1.663 285 HA TYR 39 HA TYR 39 -6.619 6.574 3.480 286 HB2 TYR 39 2HB TYR 39 -8.298 4.611 3.815 287 HB3 TYR 39 3HB TYR 39 -7.106 3.612 2.987 288 HD1 TYR 39 HD1 TYR 39 -6.435 6.391 5.393 289 HD2 TYR 39 HD2 TYR 39 -6.409 2.168 4.795 290 HE1 TYR 39 HE1 TYR 39 -5.266 6.109 7.520 291 HE2 TYR 39 HE2 TYR 39 -5.229 1.882 6.930 292 HH TYR 39 HH TYR 39 -3.789 3.205 8.440 293 H VAL 40 H VAL 40 -4.871 7.372 2.524 294 HA VAL 40 HA VAL 40 -3.494 6.368 0.257 295 HB VAL 40 HB VAL 40 -2.485 8.353 2.355 296 HG11 VAL 40 1HG1 VAL 40 -1.581 7.918 -0.520 297 HG12 VAL 40 2HG1 VAL 40 -0.664 7.542 0.940 298 HG13 VAL 40 3HG1 VAL 40 -1.026 9.217 0.541 299 HG21 VAL 40 3HG2 VAL 40 -3.325 10.147 0.899 300 HG22 VAL 40 1HG2 VAL 40 -4.643 9.089 1.408 301 HG23 VAL 40 2HG2 VAL 40 -3.981 8.955 -0.224 302 H GLY 41 H GLY 41 -3.009 6.012 3.726 303 HA2 GLY 41 2HA GLY 41 -0.333 5.184 3.855 304 HA3 GLY 41 3HA GLY 41 -1.574 4.825 5.043 305 H THR 42 H THR 42 -3.265 3.392 3.175 306 HA THR 42 HA THR 42 -2.354 0.758 3.335 307 HB THR 42 HB THR 42 -4.384 1.942 1.388 308 HG1 THR 42 HG1 THR 42 -5.820 1.688 2.980 309 HG21 THR 42 3HG2 THR 42 -4.016 -0.916 2.355 310 HG22 THR 42 1HG2 THR 42 -3.681 -0.323 0.725 311 HG23 THR 42 2HG2 THR 42 -5.335 -0.332 1.337 312 H TYR 43 H TYR 43 -2.361 3.015 0.544 313 HA TYR 43 HA TYR 43 -1.755 1.196 -1.464 314 HB2 TYR 43 2HB TYR 43 -1.262 4.193 -1.288 315 HB3 TYR 43 3HB TYR 43 -0.945 3.272 -2.754 316 HD1 TYR 43 HD2 TYR 43 -3.618 4.554 -0.524 317 HD2 TYR 43 HD1 TYR 43 -2.779 2.448 -4.148 318 HE1 TYR 43 HE2 TYR 43 -5.947 4.851 -1.249 319 HE2 TYR 43 HE1 TYR 43 -5.103 2.748 -4.856 320 HH TYR 43 HH TYR 43 -7.201 4.909 -3.376 321 H TYR 44 H TYR 44 0.516 3.356 0.262 322 HA TYR 44 HA TYR 44 2.871 2.607 -0.950 323 HB2 TYR 44 2HB TYR 44 2.556 4.532 0.623 324 HB3 TYR 44 3HB TYR 44 2.517 3.402 1.972 325 HD1 TYR 44 HD2 TYR 44 4.701 4.649 -0.806 326 HD2 TYR 44 HD1 TYR 44 4.585 2.691 2.986 327 HE1 TYR 44 HE2 TYR 44 7.148 4.793 -0.637 328 HE2 TYR 44 HE1 TYR 44 7.024 2.836 3.138 329 HH TYR 44 HH TYR 44 8.853 4.839 1.162 330 H HIS 45 H HIS 45 1.596 1.329 2.117 331 HA HIS 45 HA HIS 45 3.686 -0.579 2.491 332 HB2 HIS 45 2HB HIS 45 1.009 -0.271 3.911 333 HB3 HIS 45 3HB HIS 45 2.270 -1.396 4.419 334 HD1 HIS 45 HD1 HIS 45 3.660 -0.443 6.264 335 HD2 HIS 45 HD2 HIS 45 2.267 2.528 3.726 336 HE1 HIS 45 HE1 HIS 45 4.518 1.706 7.213 337 HE2 HIS 45 HE2 HIS 45 3.502 3.500 5.766 338 H LEU 46 H LEU 46 0.578 -0.776 0.960 339 HA LEU 46 HA LEU 46 0.408 -3.595 0.592 340 HB2 LEU 46 2HB LEU 46 -1.567 -2.207 0.347 341 HB3 LEU 46 3HB LEU 46 -0.808 -1.244 -0.905 342 HG LEU 46 HG LEU 46 -0.969 -3.079 -2.509 343 HD11 LEU 46 1HD1 LEU 46 -2.036 -5.219 -2.011 344 HD12 LEU 46 2HD1 LEU 46 -2.181 -4.782 -0.310 345 HD13 LEU 46 3HD1 LEU 46 -0.587 -5.001 -1.034 346 HD21 LEU 46 3HD2 LEU 46 -3.616 -2.703 -1.070 347 HD22 LEU 46 1HD2 LEU 46 -3.403 -3.264 -2.733 348 HD23 LEU 46 2HD2 LEU 46 -2.933 -1.625 -2.291 349 H GLY 47 H GLY 47 1.836 -0.917 -1.268 350 HA2 GLY 47 2HA GLY 47 2.680 -2.430 -3.536 351 HA3 GLY 47 3HA GLY 47 3.224 -0.830 -3.072 352 H LYS 48 H LYS 48 4.176 -1.525 -0.472 353 HA LYS 48 HA LYS 48 6.822 -2.391 -0.979 354 HB2 LYS 48 2HB LYS 48 5.321 -2.265 1.675 355 HB3 LYS 48 3HB LYS 48 7.058 -2.482 1.513 356 HG2 LYS 48 2HG LYS 48 5.486 -0.013 0.727 357 HG3 LYS 48 3HG LYS 48 6.480 -0.200 2.166 358 HD2 LYS 48 2HD LYS 48 7.484 -0.202 -0.708 359 HD3 LYS 48 3HD LYS 48 7.605 1.136 0.432 360 HE2 LYS 48 2HE LYS 48 9.746 0.175 0.477 361 HE3 LYS 48 3HE LYS 48 8.980 -0.509 1.905 362 HZ1 LYS 48 3HZ LYS 48 10.266 -2.098 0.521 363 HZ2 LYS 48 1HZ LYS 48 9.132 -1.893 -0.716 364 HZ3 LYS 48 2HZ LYS 48 8.660 -2.561 0.763 365 H LEU 49 H LEU 49 3.958 -3.983 0.338 366 HA LEU 49 HA LEU 49 5.086 -6.528 0.874 367 HB2 LEU 49 2HB LEU 49 3.017 -5.907 1.924 368 HB3 LEU 49 3HB LEU 49 2.240 -5.605 0.378 369 HG LEU 49 HG LEU 49 2.167 -8.000 -0.121 370 HD11 LEU 49 1HD1 LEU 49 3.618 -8.463 2.500 371 HD12 LEU 49 2HD1 LEU 49 4.241 -8.769 0.880 372 HD13 LEU 49 3HD1 LEU 49 2.891 -9.714 1.492 373 HD21 LEU 49 3HD2 LEU 49 0.593 -8.737 1.607 374 HD22 LEU 49 1HD2 LEU 49 0.310 -7.054 1.170 375 HD23 LEU 49 2HD2 LEU 49 1.136 -7.446 2.682 376 H TYR 50 H TYR 50 3.410 -5.197 -1.980 377 HA TYR 50 HA TYR 50 3.384 -7.413 -3.651 378 HB2 TYR 50 2HB TYR 50 3.574 -4.444 -4.189 379 HB3 TYR 50 3HB TYR 50 3.703 -5.571 -5.531 380 HD1 TYR 50 HD2 TYR 50 1.713 -7.628 -4.888 381 HD2 TYR 50 HD1 TYR 50 1.467 -3.384 -4.445 382 HE1 TYR 50 HE2 TYR 50 -0.720 -7.734 -5.118 383 HE2 TYR 50 HE1 TYR 50 -0.972 -3.509 -4.688 384 HH TYR 50 HH TYR 50 -2.643 -5.046 -5.699 385 H GLU 51 H GLU 51 6.036 -5.076 -3.135 386 HA GLU 51 HA GLU 51 7.879 -6.087 -4.999 387 HB2 GLU 51 2HB GLU 51 8.398 -4.724 -2.334 388 HB3 GLU 51 3HB GLU 51 9.616 -4.980 -3.583 389 HG2 GLU 51 2HG GLU 51 8.310 -3.568 -5.141 390 HG3 GLU 51 3HG GLU 51 7.104 -3.309 -3.878 391 H ARG 52 H ARG 52 7.195 -7.120 -1.667 392 HA ARG 52 HA ARG 52 9.269 -9.054 -1.393 393 HB2 ARG 52 2HB ARG 52 6.535 -8.897 -0.046 394 HB3 ARG 52 3HB ARG 52 7.782 -10.056 0.404 395 HG2 ARG 52 2HG ARG 52 9.281 -8.156 1.002 396 HG3 ARG 52 3HG ARG 52 7.965 -7.035 0.636 397 HD2 ARG 52 2HD ARG 52 6.594 -8.014 2.410 398 HD3 ARG 52 3HD ARG 52 7.831 -9.235 2.733 399 HE ARG 52 HE ARG 52 8.993 -6.698 3.011 400 HH11 ARG 52 1HH1 ARG 52 6.608 -8.693 4.679 401 HH12 ARG 52 2HH1 ARG 52 6.905 -7.942 6.216 402 HH21 ARG 52 1HH2 ARG 52 9.333 -5.733 5.025 403 HH22 ARG 52 2HH2 ARG 52 8.443 -6.287 6.407 404 H LEU 53 H LEU 53 5.944 -9.220 -2.582 405 HA LEU 53 HA LEU 53 5.915 -12.076 -2.977 406 HB2 LEU 53 2HB LEU 53 3.943 -9.936 -3.862 407 HB3 LEU 53 3HB LEU 53 3.637 -11.669 -3.881 408 HG LEU 53 HG LEU 53 4.023 -9.916 -1.416 409 HD11 LEU 53 1HD1 LEU 53 1.836 -9.633 -2.447 410 HD12 LEU 53 2HD1 LEU 53 1.694 -10.456 -0.898 411 HD13 LEU 53 3HD1 LEU 53 1.556 -11.377 -2.398 412 HD21 LEU 53 3HD2 LEU 53 3.561 -12.920 -1.500 413 HD22 LEU 53 1HD2 LEU 53 3.560 -11.911 -0.049 414 HD23 LEU 53 2HD2 LEU 53 5.040 -12.104 -0.982 415 H ASP 54 H ASP 54 7.780 -10.149 -4.642 416 HA ASP 54 HA ASP 54 8.649 -9.951 -6.713 417 HB2 ASP 54 2HB ASP 54 8.861 -12.420 -6.493 418 HB3 ASP 54 3HB ASP 54 7.249 -12.636 -7.156 419 H ARG 55 H ARG 55 5.874 -9.008 -6.103 420 HA ARG 55 HA ARG 55 4.735 -8.706 -8.805 421 HB2 ARG 55 2HB ARG 55 3.342 -8.384 -6.106 422 HB3 ARG 55 3HB ARG 55 2.589 -8.123 -7.676 423 HG2 ARG 55 2HG ARG 55 3.454 -10.730 -6.415 424 HG3 ARG 55 3HG ARG 55 1.855 -10.249 -6.989 425 HD2 ARG 55 2HD ARG 55 4.278 -11.022 -8.644 426 HD3 ARG 55 3HD ARG 55 2.709 -11.813 -8.565 427 HE ARG 55 HE ARG 55 1.792 -9.763 -9.687 428 HH11 ARG 55 1HH1 ARG 55 5.204 -10.558 -10.139 429 HH12 ARG 55 2HH1 ARG 55 5.318 -9.728 -11.654 430 HH21 ARG 55 1HH2 ARG 55 1.986 -8.641 -11.669 431 HH22 ARG 55 2HH2 ARG 55 3.496 -8.647 -12.525 432 H THR 56 H THR 56 6.927 -7.228 -8.217 433 HA THR 56 HA THR 56 6.470 -4.644 -7.202 434 HB THR 56 HB THR 56 8.538 -5.678 -9.173 435 HG1 THR 56 HG1 THR 56 8.882 -4.978 -6.441 436 HG21 THR 56 3HG2 THR 56 8.519 -3.019 -7.713 437 HG22 THR 56 1HG2 THR 56 8.335 -3.237 -9.455 438 HG23 THR 56 2HG2 THR 56 9.859 -3.653 -8.671 439 H ASP 57 H ASP 57 5.788 -6.081 -10.343 440 HA ASP 57 HA ASP 57 5.132 -3.820 -11.903 441 HB2 ASP 57 2HB ASP 57 5.233 -5.987 -12.960 442 HB3 ASP 57 3HB ASP 57 4.084 -6.676 -11.822 443 H ASP 58 H ASP 58 3.129 -5.792 -9.765 444 HA ASP 58 HA ASP 58 0.753 -4.234 -9.819 445 HB2 ASP 58 2HB ASP 58 1.777 -6.208 -7.743 446 HB3 ASP 58 3HB ASP 58 0.185 -5.456 -7.650 447 H ALA 59 H ALA 59 3.661 -4.053 -7.838 448 HA ALA 59 HA ALA 59 2.818 -2.244 -5.850 449 HB1 ALA 59 3HB ALA 59 4.947 -3.492 -5.672 450 HB2 ALA 59 1HB ALA 59 5.200 -1.757 -5.467 451 HB3 ALA 59 2HB ALA 59 5.623 -2.537 -6.993 452 H ILE 60 H ILE 60 4.346 -1.660 -9.032 453 HA ILE 60 HA ILE 60 4.634 1.128 -8.938 454 HB ILE 60 HB ILE 60 4.011 -0.496 -11.447 455 HG12 ILE 60 2HG1 ILE 60 5.915 -1.539 -10.360 456 HG13 ILE 60 3HG1 ILE 60 6.498 -0.667 -11.761 457 HG21 ILE 60 1HG2 ILE 60 5.438 2.169 -11.148 458 HG22 ILE 60 2HG2 ILE 60 3.831 1.913 -11.831 459 HG23 ILE 60 3HG2 ILE 60 5.251 1.275 -12.660 460 HD11 ILE 60 3HD1 ILE 60 8.014 -0.413 -9.913 461 HD12 ILE 60 1HD1 ILE 60 6.718 0.206 -8.888 462 HD13 ILE 60 2HD1 ILE 60 7.263 1.138 -10.284 463 H ASP 61 H ASP 61 1.970 -0.867 -10.080 464 HA ASP 61 HA ASP 61 0.154 1.076 -10.968 465 HB2 ASP 61 2HB ASP 61 -0.142 -1.279 -11.508 466 HB3 ASP 61 3HB ASP 61 -0.250 -1.709 -9.805 467 H THR 62 H THR 62 0.549 -0.401 -7.760 468 HA THR 62 HA THR 62 -1.733 0.858 -6.571 469 HB THR 62 HB THR 62 0.636 -0.507 -5.212 470 HG1 THR 62 HG1 THR 62 -0.693 -1.687 -6.881 471 HG21 THR 62 3HG2 THR 62 -0.970 -0.980 -3.389 472 HG22 THR 62 1HG2 THR 62 -2.211 -0.056 -4.227 473 HG23 THR 62 2HG2 THR 62 -0.769 0.762 -3.612 474 H TYR 63 H TYR 63 1.676 1.624 -6.750 475 HA TYR 63 HA TYR 63 1.685 3.815 -4.914 476 HB2 TYR 63 2HB TYR 63 3.593 3.074 -7.166 477 HB3 TYR 63 3HB TYR 63 3.860 4.439 -6.088 478 HD1 TYR 63 HD1 TYR 63 3.135 3.298 -3.448 479 HD2 TYR 63 HD2 TYR 63 5.338 1.549 -6.655 480 HE1 TYR 63 HE1 TYR 63 4.326 1.873 -1.857 481 HE2 TYR 63 HE2 TYR 63 6.521 0.113 -5.056 482 HH TYR 63 HH TYR 63 7.057 0.001 -2.750 483 H ALA 64 H ALA 64 1.355 3.522 -8.450 484 HA ALA 64 HA ALA 64 1.111 6.219 -9.163 485 HB1 ALA 64 3HB ALA 64 0.056 5.401 -11.236 486 HB2 ALA 64 1HB ALA 64 -0.192 3.817 -10.494 487 HB3 ALA 64 2HB ALA 64 1.446 4.399 -10.805 488 H GLN 65 H GLN 65 -1.358 3.862 -8.238 489 HA GLN 65 HA GLN 65 -3.647 5.512 -8.445 490 HB2 GLN 65 2HB GLN 65 -3.115 2.799 -7.840 491 HB3 GLN 65 3HB GLN 65 -3.815 3.409 -6.358 492 HG2 GLN 65 2HG GLN 65 -5.167 3.694 -9.050 493 HG3 GLN 65 3HG GLN 65 -5.385 2.295 -8.011 494 HE21 GLN 65 1HE2 GLN 65 -5.376 5.823 -7.223 495 HE22 GLN 65 2HE2 GLN 65 -6.944 5.809 -6.527 496 H GLY 66 H GLY 66 -1.444 4.725 -5.810 497 HA2 GLY 66 2HA GLY 66 -2.557 6.168 -3.699 498 HA3 GLY 66 3HA GLY 66 -0.857 5.755 -3.873 499 H ILE 67 H ILE 67 -0.386 7.225 -6.281 500 HA ILE 67 HA ILE 67 0.468 9.697 -5.329 501 HB ILE 67 HB ILE 67 0.004 8.674 -8.156 502 HG12 ILE 67 2HG1 ILE 67 2.589 9.289 -6.652 503 HG13 ILE 67 3HG1 ILE 67 1.889 7.691 -6.854 504 HG21 ILE 67 1HG2 ILE 67 1.213 11.391 -7.517 505 HG22 ILE 67 2HG2 ILE 67 -0.317 11.097 -8.343 506 HG23 ILE 67 3HG2 ILE 67 1.199 10.623 -9.107 507 HD11 ILE 67 3HD1 ILE 67 2.243 7.831 -9.263 508 HD12 ILE 67 1HD1 ILE 67 3.743 8.056 -8.363 509 HD13 ILE 67 2HD1 ILE 67 2.927 9.449 -9.072 510 H GLU 68 H GLU 68 -2.437 8.855 -7.161 511 HA GLU 68 HA GLU 68 -3.442 11.422 -7.728 512 HB2 GLU 68 2HB GLU 68 -5.021 8.837 -7.327 513 HB3 GLU 68 3HB GLU 68 -5.562 10.258 -8.225 514 HG2 GLU 68 2HG GLU 68 -3.851 9.885 -9.918 515 HG3 GLU 68 3HG GLU 68 -3.171 8.549 -8.992 516 H VAL 69 H VAL 69 -4.065 9.185 -5.061 517 HA VAL 69 HA VAL 69 -5.991 10.956 -3.790 518 HB VAL 69 HB VAL 69 -6.365 9.201 -2.180 519 HG11 VAL 69 1HG1 VAL 69 -7.458 8.913 -4.360 520 HG12 VAL 69 2HG1 VAL 69 -7.076 7.341 -3.660 521 HG13 VAL 69 3HG1 VAL 69 -6.078 7.995 -4.965 522 HG21 VAL 69 3HG2 VAL 69 -4.051 8.465 -1.791 523 HG22 VAL 69 1HG2 VAL 69 -4.013 7.687 -3.371 524 HG23 VAL 69 2HG2 VAL 69 -5.102 7.087 -2.113 525 H ALA 70 H ALA 70 -2.604 10.359 -3.572 526 HA ALA 70 HA ALA 70 -2.175 11.199 -0.848 527 HB1 ALA 70 3HB ALA 70 -0.173 11.000 -3.107 528 HB2 ALA 70 1HB ALA 70 -0.585 9.718 -1.969 529 HB3 ALA 70 2HB ALA 70 0.214 11.182 -1.392 530 H ARG 71 H ARG 71 -1.729 12.770 -4.013 531 HA ARG 71 HA ARG 71 -0.690 15.215 -3.041 532 HB2 ARG 71 2HB ARG 71 -1.269 16.117 -5.329 533 HB3 ARG 71 3HB ARG 71 -0.312 14.642 -5.344 534 HG2 ARG 71 2HG ARG 71 -2.347 13.322 -5.820 535 HG3 ARG 71 3HG ARG 71 -3.304 14.802 -5.823 536 HD2 ARG 71 2HD ARG 71 -0.993 14.276 -7.721 537 HD3 ARG 71 3HD ARG 71 -2.686 13.945 -8.101 538 HE ARG 71 HE ARG 71 -2.830 16.515 -7.417 539 HH11 ARG 71 1HH1 ARG 71 -0.413 14.964 -9.442 540 HH12 ARG 71 2HH1 ARG 71 -0.328 16.289 -10.554 541 HH21 ARG 71 1HH2 ARG 71 -2.674 18.250 -8.868 542 HH22 ARG 71 2HH2 ARG 71 -1.595 18.153 -10.222 543 H GLU 72 H GLU 72 -4.040 14.144 -3.568 544 HA GLU 72 HA GLU 72 -5.112 16.812 -3.006 545 HB2 GLU 72 2HB GLU 72 -6.631 14.228 -3.527 546 HB3 GLU 72 3HB GLU 72 -7.286 15.862 -3.548 547 HG2 GLU 72 2HG GLU 72 -5.352 14.627 -5.530 548 HG3 GLU 72 3HG GLU 72 -7.024 15.100 -5.818 549 H GLU 73 H GLU 73 -5.361 13.536 -1.581 550 HA GLU 73 HA GLU 73 -6.854 14.586 0.711 551 HB2 GLU 73 2HB GLU 73 -6.333 11.712 -0.123 552 HB3 GLU 73 3HB GLU 73 -7.420 12.232 1.162 553 HG2 GLU 73 2HG GLU 73 -7.736 12.867 -1.782 554 HG3 GLU 73 3HG GLU 73 -8.605 11.606 -0.910 555 H GLY 74 H GLY 74 -3.841 12.747 0.061 556 HA2 GLY 74 2HA GLY 74 -3.239 12.435 2.906 557 HA3 GLY 74 3HA GLY 74 -2.294 11.855 1.544 558 H THR 75 H THR 75 -0.546 12.732 3.036 559 HA THR 75 HA THR 75 -0.099 15.626 2.872 560 HB THR 75 HB THR 75 1.973 15.195 4.140 561 HG1 THR 75 HG1 THR 75 1.379 12.461 4.415 562 HG21 THR 75 3HG2 THR 75 1.030 14.291 6.229 563 HG22 THR 75 1HG2 THR 75 -0.356 13.649 5.340 564 HG23 THR 75 2HG2 THR 75 -0.112 15.394 5.459 565 H GLN 76 H GLN 76 2.101 16.373 2.052 566 HA GLN 76 HA GLN 76 2.684 15.416 -0.586 567 HB2 GLN 76 2HB GLN 76 2.990 17.799 0.103 568 HB3 GLN 76 3HB GLN 76 4.303 17.319 1.170 569 HG2 GLN 76 2HG GLN 76 5.664 16.636 -0.729 570 HG3 GLN 76 3HG GLN 76 4.329 16.920 -1.842 571 HE21 GLN 76 1HE2 GLN 76 3.739 19.056 -2.334 572 HE22 GLN 76 2HE2 GLN 76 4.799 20.388 -2.053 573 H LYS 77 H LYS 77 3.925 14.801 2.613 574 HA LYS 77 HA LYS 77 6.286 13.396 2.048 575 HB2 LYS 77 2HB LYS 77 5.572 14.074 4.339 576 HB3 LYS 77 3HB LYS 77 4.264 12.901 4.278 577 HG2 LYS 77 2HG LYS 77 5.848 11.043 4.258 578 HG3 LYS 77 3HG LYS 77 7.212 12.159 4.143 579 HD2 LYS 77 2HD LYS 77 5.297 11.890 6.498 580 HD3 LYS 77 3HD LYS 77 6.967 11.316 6.446 581 HE2 LYS 77 2HE LYS 77 7.742 13.659 6.187 582 HE3 LYS 77 3HE LYS 77 6.073 14.222 6.287 583 HZ1 LYS 77 3HZ LYS 77 7.097 14.463 8.399 584 HZ2 LYS 77 1HZ LYS 77 7.632 12.856 8.407 585 HZ3 LYS 77 2HZ LYS 77 5.982 13.201 8.525 586 H ASP 78 H ASP 78 2.899 12.294 2.266 587 HA ASP 78 HA ASP 78 3.296 9.547 1.720 588 HB2 ASP 78 2HB ASP 78 0.872 11.330 1.245 589 HB3 ASP 78 3HB ASP 78 0.855 9.604 0.894 590 H LEU 79 H LEU 79 2.533 12.283 -0.398 591 HA LEU 79 HA LEU 79 2.270 10.947 -2.836 592 HB2 LEU 79 2HB LEU 79 1.583 13.291 -2.481 593 HB3 LEU 79 3HB LEU 79 3.258 13.775 -2.266 594 HG LEU 79 HG LEU 79 3.718 13.141 -4.658 595 HD11 LEU 79 1HD1 LEU 79 0.725 12.699 -4.827 596 HD12 LEU 79 2HD1 LEU 79 1.981 11.465 -4.980 597 HD13 LEU 79 3HD1 LEU 79 1.846 12.735 -6.191 598 HD21 LEU 79 3HD2 LEU 79 1.509 15.188 -4.295 599 HD22 LEU 79 1HD2 LEU 79 2.598 15.072 -5.680 600 HD23 LEU 79 2HD2 LEU 79 3.239 15.475 -4.089 601 H SER 80 H SER 80 5.123 12.496 -1.403 602 HA SER 80 HA SER 80 6.892 12.027 -3.559 603 HB2 SER 80 2HB SER 80 7.148 13.849 -1.832 604 HB3 SER 80 3HB SER 80 7.629 12.620 -0.662 605 HG SER 80 HG SER 80 8.984 13.590 -2.916 606 H GLU 81 H GLU 81 6.078 10.195 -0.658 607 HA GLU 81 HA GLU 81 8.186 8.280 -0.799 608 HB2 GLU 81 2HB GLU 81 5.530 8.402 0.656 609 HB3 GLU 81 3HB GLU 81 6.452 6.904 0.658 610 HG2 GLU 81 2HG GLU 81 7.497 9.579 1.649 611 HG3 GLU 81 3HG GLU 81 6.841 8.297 2.673 612 H LEU 82 H LEU 82 4.809 8.225 -1.920 613 HA LEU 82 HA LEU 82 4.768 5.618 -2.996 614 HB2 LEU 82 2HB LEU 82 3.165 8.115 -3.637 615 HB3 LEU 82 3HB LEU 82 2.791 6.548 -4.341 616 HG LEU 82 HG LEU 82 2.906 6.833 -1.318 617 HD11 LEU 82 1HD1 LEU 82 0.519 7.330 -1.245 618 HD12 LEU 82 2HD1 LEU 82 0.486 7.482 -3.002 619 HD13 LEU 82 3HD1 LEU 82 1.415 8.626 -2.035 620 HD21 LEU 82 3HD2 LEU 82 1.279 4.986 -1.396 621 HD22 LEU 82 1HD2 LEU 82 2.771 4.577 -2.238 622 HD23 LEU 82 2HD2 LEU 82 1.331 5.010 -3.160 623 H GLN 83 H GLN 83 5.586 8.745 -4.438 624 HA GLN 83 HA GLN 83 6.030 7.869 -7.108 625 HB2 GLN 83 2HB GLN 83 7.020 10.312 -5.577 626 HB3 GLN 83 3HB GLN 83 7.308 10.068 -7.297 627 HG2 GLN 83 2HG GLN 83 4.931 10.153 -7.766 628 HG3 GLN 83 3HG GLN 83 4.551 10.208 -6.048 629 HE21 GLN 83 1HE2 GLN 83 6.637 12.141 -5.398 630 HE22 GLN 83 2HE2 GLN 83 6.104 13.657 -6.021 631 H ASP 84 H ASP 84 8.174 8.392 -4.312 632 HA ASP 84 HA ASP 84 10.648 7.922 -5.603 633 HB2 ASP 84 2HB ASP 84 10.540 9.123 -3.461 634 HB3 ASP 84 3HB ASP 84 9.907 7.696 -2.652 635 H ALA 85 H ALA 85 8.421 5.821 -3.878 636 HA ALA 85 HA ALA 85 10.103 3.551 -3.676 637 HB1 ALA 85 3HB ALA 85 7.068 3.693 -3.562 638 HB2 ALA 85 1HB ALA 85 8.160 3.908 -2.193 639 HB3 ALA 85 2HB ALA 85 8.066 2.345 -3.008 640 H LYS 86 H LYS 86 7.559 4.494 -6.019 641 HA LYS 86 HA LYS 86 7.737 2.054 -7.502 642 HB2 LYS 86 2HB LYS 86 6.267 3.055 -9.145 643 HB3 LYS 86 3HB LYS 86 5.680 3.397 -7.528 644 HG2 LYS 86 2HG LYS 86 6.720 5.695 -7.748 645 HG3 LYS 86 3HG LYS 86 7.027 5.315 -9.443 646 HD2 LYS 86 2HD LYS 86 4.312 5.424 -8.073 647 HD3 LYS 86 3HD LYS 86 4.957 6.623 -9.190 648 HE2 LYS 86 2HE LYS 86 4.342 3.737 -9.908 649 HE3 LYS 86 3HE LYS 86 3.285 5.108 -10.223 650 HZ1 LYS 86 3HZ LYS 86 6.017 4.786 -11.327 651 HZ2 LYS 86 1HZ LYS 86 4.956 6.063 -11.644 652 HZ3 LYS 86 2HZ LYS 86 4.579 4.499 -12.165 653 H LEU 87 H LEU 87 9.395 5.212 -7.846 654 HA LEU 87 HA LEU 87 10.315 4.636 -10.496 655 HB2 LEU 87 2HB LEU 87 11.759 6.647 -10.291 656 HB3 LEU 87 3HB LEU 87 10.063 6.928 -9.979 657 HG LEU 87 HG LEU 87 10.692 6.878 -7.462 658 HD11 LEU 87 1HD1 LEU 87 12.950 7.552 -6.851 659 HD12 LEU 87 2HD1 LEU 87 13.480 7.362 -8.523 660 HD13 LEU 87 3HD1 LEU 87 12.946 5.958 -7.600 661 HD21 LEU 87 3HD2 LEU 87 10.004 8.907 -8.652 662 HD22 LEU 87 1HD2 LEU 87 11.669 9.184 -9.170 663 HD23 LEU 87 2HD2 LEU 87 11.249 9.255 -7.456 664 H LYS 88 H LYS 88 11.751 4.213 -7.262 665 HA LYS 88 HA LYS 88 14.176 3.108 -8.347 666 HB2 LYS 88 2HB LYS 88 14.776 2.483 -6.079 667 HB3 LYS 88 3HB LYS 88 14.184 4.135 -6.132 668 HG2 LYS 88 2HG LYS 88 12.158 3.576 -5.036 669 HG3 LYS 88 3HG LYS 88 12.430 1.844 -5.251 670 HD2 LYS 88 2HD LYS 88 14.274 1.857 -3.692 671 HD3 LYS 88 3HD LYS 88 14.265 3.621 -3.593 672 HE2 LYS 88 2HE LYS 88 11.957 1.877 -2.684 673 HE3 LYS 88 3HE LYS 88 13.243 2.434 -1.610 674 HZ1 LYS 88 3HZ LYS 88 12.628 4.691 -2.036 675 HZ2 LYS 88 1HZ LYS 88 11.249 3.840 -1.553 676 HZ3 LYS 88 2HZ LYS 88 11.479 4.229 -3.182 677 H ALA 89 H ALA 89 11.064 1.727 -7.336 678 HA ALA 89 HA ALA 89 11.745 -0.997 -7.378 679 HB1 ALA 89 3HB ALA 89 9.333 -1.391 -7.487 680 HB2 ALA 89 1HB ALA 89 9.058 0.281 -7.967 681 HB3 ALA 89 2HB ALA 89 9.689 -0.087 -6.362 682 H GLU 90 H GLU 90 10.961 1.168 -10.055 683 HA GLU 90 HA GLU 90 10.752 -0.523 -12.228 684 HB2 GLU 90 2HB GLU 90 12.406 2.032 -12.058 685 HB3 GLU 90 3HB GLU 90 11.901 1.268 -13.564 686 HG2 GLU 90 2HG GLU 90 9.961 2.331 -11.478 687 HG3 GLU 90 3HG GLU 90 10.541 3.273 -12.847 688 H GLY 91 H GLY 91 13.547 0.010 -10.226 689 HA2 GLY 91 2HA GLY 91 15.570 -1.079 -11.952 690 HA3 GLY 91 3HA GLY 91 15.712 -0.771 -10.231 691 H LEU 92 H LEU 92 13.226 -2.462 -9.764 692 HA LEU 92 HA LEU 92 14.520 -5.032 -9.476 693 HB2 LEU 92 2HB LEU 92 11.623 -4.243 -8.954 694 HB3 LEU 92 3HB LEU 92 12.369 -5.758 -8.462 695 HG LEU 92 HG LEU 92 13.096 -2.988 -7.406 696 HD11 LEU 92 1HD1 LEU 92 11.645 -5.266 -6.025 697 HD12 LEU 92 2HD1 LEU 92 10.935 -3.740 -6.558 698 HD13 LEU 92 3HD1 LEU 92 12.139 -3.745 -5.273 699 HD21 LEU 92 3HD2 LEU 92 14.563 -4.154 -5.806 700 HD22 LEU 92 1HD2 LEU 92 15.087 -4.412 -7.469 701 HD23 LEU 92 2HD2 LEU 92 14.233 -5.693 -6.604 702 H GLU 93 H GLU 93 11.343 -4.216 -11.005 703 HA GLU 93 HA GLU 93 12.111 -5.802 -13.370 704 HB2 GLU 93 2HB GLU 93 9.849 -6.815 -13.523 705 HB3 GLU 93 3HB GLU 93 10.722 -7.332 -12.091 706 HG2 GLU 93 2HG GLU 93 9.358 -6.029 -10.647 707 HG3 GLU 93 3HG GLU 93 8.661 -5.120 -11.981 708 H HIS 94 H HIS 94 12.528 -3.761 -14.368 709 HA HIS 94 HA HIS 94 10.220 -2.206 -15.216 710 HB2 HIS 94 2HB HIS 94 11.830 -1.069 -16.784 711 HB3 HIS 94 3HB HIS 94 12.314 -0.995 -15.097 712 HD1 HIS 94 HD1 HIS 94 14.573 -1.965 -14.481 713 HD2 HIS 94 HD2 HIS 94 13.478 -2.799 -18.403 714 HE1 HIS 94 HE1 HIS 94 16.632 -2.912 -15.573 715 HE2 HIS 94 HE2 HIS 94 15.940 -3.404 -17.945 716 H HIS 95 H HIS 95 11.577 -5.211 -16.045 717 HA HIS 95 HA HIS 95 10.615 -5.259 -18.782 718 HB2 HIS 95 2HB HIS 95 11.298 -7.612 -18.846 719 HB3 HIS 95 3HB HIS 95 12.594 -6.622 -18.215 720 HD1 HIS 95 HD1 HIS 95 13.231 -6.983 -15.689 721 HD2 HIS 95 HD2 HIS 95 10.385 -9.622 -17.140 722 HE1 HIS 95 HE1 HIS 95 13.077 -8.804 -13.976 723 HE2 HIS 95 HE2 HIS 95 11.258 -10.327 -14.818 724 H HIS 96 H HIS 96 8.500 -4.839 -18.809 725 HA HIS 96 HA HIS 96 6.712 -7.041 -18.362 726 HB2 HIS 96 2HB HIS 96 5.083 -5.963 -16.914 727 HB3 HIS 96 3HB HIS 96 6.637 -5.899 -16.099 728 HD1 HIS 96 HD1 HIS 96 3.840 -3.937 -16.271 729 HD2 HIS 96 HD2 HIS 96 7.841 -3.098 -17.020 730 HE1 HIS 96 HE1 HIS 96 4.055 -1.448 -16.061 731 HE2 HIS 96 HE2 HIS 96 6.513 -0.986 -16.350 732 H HIS 97 H HIS 97 4.987 -6.929 -19.833 733 HA HIS 97 HA HIS 97 5.076 -4.633 -21.720 734 HB2 HIS 97 2HB HIS 97 4.318 -7.530 -22.284 735 HB3 HIS 97 3HB HIS 97 4.286 -6.222 -23.464 736 HD1 HIS 97 HD1 HIS 97 6.244 -8.969 -22.879 737 HD2 HIS 97 HD2 HIS 97 7.176 -4.932 -23.197 738 HE1 HIS 97 HE1 HIS 97 8.681 -8.885 -23.475 739 HE2 HIS 97 HE2 HIS 97 9.254 -6.445 -23.449 740 H HIS 98 H HIS 98 3.243 -5.723 -19.245 741 HA HIS 98 HA HIS 98 1.003 -4.083 -19.978 742 HB2 HIS 98 2HB HIS 98 -0.766 -5.717 -20.046 743 HB3 HIS 98 3HB HIS 98 0.472 -6.326 -21.136 744 HD1 HIS 98 HD1 HIS 98 -1.279 -7.083 -17.926 745 HD2 HIS 98 HD2 HIS 98 1.751 -8.717 -20.246 746 HE1 HIS 98 HE1 HIS 98 -0.842 -9.348 -16.957 747 HE2 HIS 98 HE2 HIS 98 0.836 -10.393 -18.510 748 H HIS 99 H HIS 99 -0.697 -4.161 -18.246 749 HA HIS 99 HA HIS 99 -0.307 -5.768 -15.901 750 HB2 HIS 99 2HB HIS 99 1.012 -3.845 -15.142 751 HB3 HIS 99 3HB HIS 99 -0.244 -2.717 -15.640 752 HD1 HIS 99 HD1 HIS 99 0.541 -5.269 -12.995 753 HD2 HIS 99 HD2 HIS 99 -2.313 -2.375 -13.786 754 HE1 HIS 99 HE1 HIS 99 -0.802 -5.067 -10.896 755 HE2 HIS 99 HE2 HIS 99 -2.620 -3.419 -11.451 Start of MODEL 7 1 H1 GLU 1 1H GLU 1 -10.867 -2.585 18.149 2 H2 GLU 1 2H GLU 1 -10.991 -2.373 19.816 3 H3 GLU 1 3H GLU 1 -12.252 -1.882 18.812 4 HA GLU 1 HA GLU 1 -11.338 -4.660 19.234 5 HB2 GLU 1 2HB GLU 1 -13.767 -3.163 20.284 6 HB3 GLU 1 3HB GLU 1 -13.752 -4.915 20.178 7 HG2 GLU 1 2HG GLU 1 -13.220 -4.239 22.435 8 HG3 GLU 1 3HG GLU 1 -11.831 -5.025 21.695 9 H ASP 2 H ASP 2 -13.051 -2.428 17.187 10 HA ASP 2 HA ASP 2 -14.237 -4.600 15.613 11 HB2 ASP 2 2HB ASP 2 -15.276 -2.876 14.233 12 HB3 ASP 2 3HB ASP 2 -15.606 -2.573 15.928 13 HA PRO 3 HA PRO 3 -10.392 -4.654 13.134 14 HB2 PRO 3 2HB PRO 3 -11.048 -6.804 11.574 15 HB3 PRO 3 3HB PRO 3 -10.521 -6.983 13.255 16 HG2 PRO 3 2HG PRO 3 -13.332 -6.930 12.148 17 HG3 PRO 3 3HG PRO 3 -12.607 -8.089 13.287 18 HD2 PRO 3 2HD PRO 3 -14.155 -6.042 14.135 19 HD3 PRO 3 3HD PRO 3 -12.760 -6.599 15.089 20 H GLU 4 H GLU 4 -13.647 -4.079 12.185 21 HA GLU 4 HA GLU 4 -13.325 -3.661 9.387 22 HB2 GLU 4 2HB GLU 4 -15.491 -2.782 11.323 23 HB3 GLU 4 3HB GLU 4 -15.598 -2.577 9.575 24 HG2 GLU 4 2HG GLU 4 -15.419 -5.069 9.321 25 HG3 GLU 4 3HG GLU 4 -15.436 -5.208 11.083 26 H ASP 5 H ASP 5 -12.672 -1.672 12.145 27 HA ASP 5 HA ASP 5 -12.689 0.900 11.009 28 HB2 ASP 5 2HB ASP 5 -12.407 0.555 13.427 29 HB3 ASP 5 3HB ASP 5 -10.879 -0.274 13.167 30 HA PRO 6 HA PRO 6 -9.640 0.504 7.762 31 HB2 PRO 6 2HB PRO 6 -8.739 3.160 7.651 32 HB3 PRO 6 3HB PRO 6 -10.196 2.545 6.864 33 HG2 PRO 6 2HG PRO 6 -9.915 3.936 9.524 34 HG3 PRO 6 3HG PRO 6 -11.126 4.199 8.245 35 HD2 PRO 6 2HD PRO 6 -11.746 2.772 10.415 36 HD3 PRO 6 3HD PRO 6 -12.315 2.240 8.814 37 H PHE 7 H PHE 7 -8.426 2.598 10.437 38 HA PHE 7 HA PHE 7 -5.698 1.976 9.987 39 HB2 PHE 7 2HB PHE 7 -6.389 4.038 11.153 40 HB3 PHE 7 3HB PHE 7 -6.984 3.089 12.511 41 HD1 PHE 7 HD1 PHE 7 -3.814 3.491 10.504 42 HD2 PHE 7 HD2 PHE 7 -5.528 2.910 14.383 43 HE1 PHE 7 HE1 PHE 7 -1.570 3.551 11.508 44 HE2 PHE 7 HE2 PHE 7 -3.273 2.985 15.374 45 HZ PHE 7 HZ PHE 7 -1.296 3.298 13.941 46 H THR 8 H THR 8 -8.179 0.417 11.922 47 HA THR 8 HA THR 8 -6.473 -1.090 13.620 48 HB THR 8 HB THR 8 -9.360 -1.612 12.798 49 HG1 THR 8 HG1 THR 8 -8.721 0.315 14.063 50 HG21 THR 8 3HG2 THR 8 -8.353 -3.736 13.589 51 HG22 THR 8 1HG2 THR 8 -9.509 -3.110 14.766 52 HG23 THR 8 2HG2 THR 8 -7.778 -2.925 15.047 53 H ARG 9 H ARG 9 -8.117 -1.922 10.529 54 HA ARG 9 HA ARG 9 -6.953 -4.563 10.396 55 HB2 ARG 9 2HB ARG 9 -8.067 -4.793 8.260 56 HB3 ARG 9 3HB ARG 9 -9.161 -4.119 9.454 57 HG2 ARG 9 2HG ARG 9 -8.226 -1.822 8.255 58 HG3 ARG 9 3HG ARG 9 -8.176 -2.957 6.904 59 HD2 ARG 9 2HD ARG 9 -10.621 -3.552 7.710 60 HD3 ARG 9 3HD ARG 9 -10.538 -1.985 8.497 61 HE ARG 9 HE ARG 9 -9.960 -1.142 6.149 62 HH11 ARG 9 1HH1 ARG 9 -12.119 -3.808 6.797 63 HH12 ARG 9 2HH1 ARG 9 -13.019 -3.592 5.335 64 HH21 ARG 9 1HH2 ARG 9 -11.151 -0.866 4.219 65 HH22 ARG 9 2HH2 ARG 9 -12.480 -1.925 3.881 66 H TYR 10 H TYR 10 -6.113 -1.396 9.192 67 HA TYR 10 HA TYR 10 -4.027 -2.054 7.401 68 HB2 TYR 10 2HB TYR 10 -4.848 0.204 7.422 69 HB3 TYR 10 3HB TYR 10 -4.583 0.372 9.149 70 HD1 TYR 10 HD1 TYR 10 -2.726 -0.001 5.896 71 HD2 TYR 10 HD2 TYR 10 -2.583 1.386 9.939 72 HE1 TYR 10 HE1 TYR 10 -0.555 1.074 5.467 73 HE2 TYR 10 HE2 TYR 10 -0.420 2.451 9.500 74 HH TYR 10 HH TYR 10 0.788 2.965 6.415 75 H ALA 11 H ALA 11 -4.033 -1.399 10.885 76 HA ALA 11 HA ALA 11 -1.242 -1.842 11.326 77 HB1 ALA 11 3HB ALA 11 -2.570 -0.371 12.780 78 HB2 ALA 11 1HB ALA 11 -1.828 -1.674 13.715 79 HB3 ALA 11 2HB ALA 11 -3.546 -1.745 13.304 80 H LEU 12 H LEU 12 -4.158 -3.798 11.555 81 HA LEU 12 HA LEU 12 -3.071 -6.122 12.780 82 HB2 LEU 12 2HB LEU 12 -5.478 -5.672 12.799 83 HB3 LEU 12 3HB LEU 12 -5.539 -5.744 11.046 84 HG LEU 12 HG LEU 12 -5.037 -8.177 11.124 85 HD11 LEU 12 1HD1 LEU 12 -5.066 -9.429 13.233 86 HD12 LEU 12 2HD1 LEU 12 -5.145 -7.920 14.147 87 HD13 LEU 12 3HD1 LEU 12 -3.715 -8.298 13.180 88 HD21 LEU 12 3HD2 LEU 12 -7.382 -7.437 11.084 89 HD22 LEU 12 1HD2 LEU 12 -7.414 -7.405 12.852 90 HD23 LEU 12 2HD2 LEU 12 -7.203 -8.934 11.996 91 H ALA 13 H ALA 13 -3.402 -5.030 9.448 92 HA ALA 13 HA ALA 13 -2.521 -7.355 8.104 93 HB1 ALA 13 3HB ALA 13 -3.635 -5.505 6.927 94 HB2 ALA 13 1HB ALA 13 -2.071 -5.871 6.188 95 HB3 ALA 13 2HB ALA 13 -2.250 -4.458 7.234 96 H GLN 14 H GLN 14 -0.788 -4.555 9.448 97 HA GLN 14 HA GLN 14 1.841 -5.325 8.730 98 HB2 GLN 14 2HB GLN 14 0.896 -3.594 11.056 99 HB3 GLN 14 3HB GLN 14 2.561 -3.692 10.475 100 HG2 GLN 14 2HG GLN 14 1.879 -2.777 8.301 101 HG3 GLN 14 3HG GLN 14 0.200 -2.725 8.831 102 HE21 GLN 14 1HE2 GLN 14 1.964 -0.560 7.903 103 HE22 GLN 14 2HE2 GLN 14 1.959 0.623 9.159 104 H GLU 15 H GLU 15 -0.185 -6.144 11.537 105 HA GLU 15 HA GLU 15 1.729 -7.635 13.002 106 HB2 GLU 15 2HB GLU 15 -1.280 -8.128 12.874 107 HB3 GLU 15 3HB GLU 15 -0.183 -8.744 14.106 108 HG2 GLU 15 2HG GLU 15 -0.972 -5.864 13.636 109 HG3 GLU 15 3HG GLU 15 -1.442 -6.885 14.991 110 H HIS 16 H HIS 16 -0.599 -8.567 10.470 111 HA HIS 16 HA HIS 16 -0.062 -11.312 10.357 112 HB2 HIS 16 2HB HIS 16 -1.187 -9.396 8.297 113 HB3 HIS 16 3HB HIS 16 -0.935 -11.092 7.909 114 HD1 HIS 16 HD1 HIS 16 -2.130 -12.746 9.882 115 HD2 HIS 16 HD2 HIS 16 -3.719 -8.975 9.189 116 HE1 HIS 16 HE1 HIS 16 -4.487 -12.844 10.718 117 HE2 HIS 16 HE2 HIS 16 -5.450 -10.586 10.200 118 H LEU 17 H LEU 17 1.477 -8.611 8.636 119 HA LEU 17 HA LEU 17 3.197 -10.004 6.941 120 HB2 LEU 17 2HB LEU 17 3.498 -7.328 8.348 121 HB3 LEU 17 3HB LEU 17 4.688 -7.910 7.193 122 HG LEU 17 HG LEU 17 1.754 -7.449 6.516 123 HD11 LEU 17 1HD1 LEU 17 2.464 -5.429 5.315 124 HD12 LEU 17 2HD1 LEU 17 4.113 -5.641 5.913 125 HD13 LEU 17 3HD1 LEU 17 2.799 -5.302 7.043 126 HD21 LEU 17 3HD2 LEU 17 2.791 -9.131 5.079 127 HD22 LEU 17 1HD2 LEU 17 4.137 -8.042 4.726 128 HD23 LEU 17 2HD2 LEU 17 2.509 -7.651 4.168 129 H LYS 18 H LYS 18 3.720 -8.920 10.289 130 HA LYS 18 HA LYS 18 6.352 -9.982 10.582 131 HB2 LYS 18 2HB LYS 18 4.309 -9.093 12.657 132 HB3 LYS 18 3HB LYS 18 5.993 -9.479 13.018 133 HG2 LYS 18 2HG LYS 18 6.744 -7.633 11.567 134 HG3 LYS 18 3HG LYS 18 5.071 -7.252 11.160 135 HD2 LYS 18 2HD LYS 18 6.251 -7.106 13.963 136 HD3 LYS 18 3HD LYS 18 6.040 -5.724 12.889 137 HE2 LYS 18 2HE LYS 18 3.614 -6.050 12.905 138 HE3 LYS 18 3HE LYS 18 3.791 -7.480 13.925 139 HZ1 LYS 18 3HZ LYS 18 4.593 -4.730 14.691 140 HZ2 LYS 18 1HZ LYS 18 4.668 -6.097 15.674 141 HZ3 LYS 18 2HZ LYS 18 3.171 -5.493 15.176 142 H HIS 19 H HIS 19 3.133 -11.289 11.184 143 HA HIS 19 HA HIS 19 4.116 -13.744 12.443 144 HB2 HIS 19 2HB HIS 19 1.339 -12.696 11.807 145 HB3 HIS 19 3HB HIS 19 1.596 -14.336 12.383 146 HD1 HIS 19 HD1 HIS 19 1.384 -14.587 14.823 147 HD2 HIS 19 HD2 HIS 19 2.521 -10.728 13.809 148 HE1 HIS 19 HE1 HIS 19 1.396 -13.301 16.968 149 HE2 HIS 19 HE2 HIS 19 1.966 -10.942 16.315 150 H ASP 20 H ASP 20 4.412 -12.845 9.428 151 HA ASP 20 HA ASP 20 4.917 -13.892 7.508 152 HB2 ASP 20 2HB ASP 20 5.940 -15.641 8.963 153 HB3 ASP 20 3HB ASP 20 4.406 -16.507 8.985 154 H ASN 21 H ASN 21 1.916 -13.684 8.631 155 HA ASN 21 HA ASN 21 0.449 -15.131 6.575 156 HB2 ASN 21 2HB ASN 21 -0.504 -13.157 8.695 157 HB3 ASN 21 3HB ASN 21 -1.551 -14.137 7.678 158 HD21 ASN 21 1HD2 ASN 21 0.008 -16.567 7.879 159 HD22 ASN 21 2HD2 ASN 21 -0.209 -17.146 9.487 160 H ALA 22 H ALA 22 2.068 -13.693 5.116 161 HA ALA 22 HA ALA 22 1.554 -10.929 4.732 162 HB1 ALA 22 3HB ALA 22 2.867 -12.916 2.845 163 HB2 ALA 22 1HB ALA 22 3.685 -11.997 4.112 164 HB3 ALA 22 2HB ALA 22 2.968 -11.158 2.736 165 H SER 23 H SER 23 0.275 -13.839 3.122 166 HA SER 23 HA SER 23 -1.243 -12.628 1.104 167 HB2 SER 23 2HB SER 23 -1.815 -15.225 2.588 168 HB3 SER 23 3HB SER 23 -2.498 -14.761 1.029 169 HG SER 23 HG SER 23 0.151 -15.456 1.682 170 H ARG 24 H ARG 24 -2.106 -13.289 4.532 171 HA ARG 24 HA ARG 24 -4.830 -12.398 4.317 172 HB2 ARG 24 2HB ARG 24 -3.023 -12.668 6.770 173 HB3 ARG 24 3HB ARG 24 -4.768 -12.445 6.815 174 HG2 ARG 24 2HG ARG 24 -3.332 -14.847 5.648 175 HG3 ARG 24 3HG ARG 24 -4.112 -14.782 7.227 176 HD2 ARG 24 2HD ARG 24 -6.295 -14.415 6.140 177 HD3 ARG 24 3HD ARG 24 -5.518 -14.470 4.549 178 HE ARG 24 HE ARG 24 -4.916 -16.827 6.017 179 HH11 ARG 24 1HH1 ARG 24 -7.598 -15.385 4.265 180 HH12 ARG 24 2HH1 ARG 24 -8.334 -16.914 3.910 181 HH21 ARG 24 1HH2 ARG 24 -5.901 -18.821 5.526 182 HH22 ARG 24 2HH2 ARG 24 -7.379 -18.850 4.620 183 H ALA 25 H ALA 25 -1.743 -10.906 5.130 184 HA ALA 25 HA ALA 25 -2.629 -8.327 5.906 185 HB1 ALA 25 3HB ALA 25 -0.338 -9.142 6.325 186 HB2 ALA 25 1HB ALA 25 -0.312 -7.618 5.432 187 HB3 ALA 25 2HB ALA 25 -0.010 -9.145 4.593 188 H LEU 26 H LEU 26 -1.876 -9.812 2.808 189 HA LEU 26 HA LEU 26 -1.892 -7.518 1.135 190 HB2 LEU 26 2HB LEU 26 -0.933 -9.789 0.535 191 HB3 LEU 26 3HB LEU 26 -2.570 -10.391 0.379 192 HG LEU 26 HG LEU 26 -2.919 -8.628 -1.460 193 HD11 LEU 26 1HD1 LEU 26 -1.012 -7.166 -0.918 194 HD12 LEU 26 2HD1 LEU 26 -0.935 -7.738 -2.582 195 HD13 LEU 26 3HD1 LEU 26 0.113 -8.456 -1.355 196 HD21 LEU 26 3HD2 LEU 26 -2.631 -11.007 -1.989 197 HD22 LEU 26 1HD2 LEU 26 -0.874 -10.819 -1.964 198 HD23 LEU 26 2HD2 LEU 26 -1.836 -10.002 -3.197 199 H ALA 27 H ALA 27 -4.289 -9.941 2.001 200 HA ALA 27 HA ALA 27 -6.522 -9.089 0.588 201 HB1 ALA 27 3HB ALA 27 -6.422 -10.465 3.293 202 HB2 ALA 27 1HB ALA 27 -6.362 -11.261 1.719 203 HB3 ALA 27 2HB ALA 27 -7.823 -10.407 2.219 204 H LEU 28 H LEU 28 -5.517 -8.160 3.917 205 HA LEU 28 HA LEU 28 -7.720 -6.464 4.448 206 HB2 LEU 28 2HB LEU 28 -4.948 -6.463 5.692 207 HB3 LEU 28 3HB LEU 28 -6.302 -5.514 6.294 208 HG LEU 28 HG LEU 28 -6.092 -8.551 6.259 209 HD11 LEU 28 1HD1 LEU 28 -6.238 -6.602 8.579 210 HD12 LEU 28 2HD1 LEU 28 -4.803 -7.483 8.051 211 HD13 LEU 28 3HD1 LEU 28 -6.181 -8.364 8.708 212 HD21 LEU 28 3HD2 LEU 28 -8.408 -7.937 5.742 213 HD22 LEU 28 1HD2 LEU 28 -8.454 -6.844 7.131 214 HD23 LEU 28 2HD2 LEU 28 -8.300 -8.585 7.375 215 H PHE 29 H PHE 29 -4.549 -5.797 2.995 216 HA PHE 29 HA PHE 29 -4.843 -2.960 2.884 217 HB2 PHE 29 2HB PHE 29 -3.056 -4.866 1.329 218 HB3 PHE 29 3HB PHE 29 -3.009 -3.124 1.102 219 HD1 PHE 29 HD2 PHE 29 -3.129 -2.054 3.836 220 HD2 PHE 29 HD1 PHE 29 -1.015 -5.463 2.351 221 HE1 PHE 29 HE2 PHE 29 -1.479 -1.832 5.653 222 HE2 PHE 29 HE1 PHE 29 0.630 -5.230 4.165 223 HZ PHE 29 HZ PHE 29 0.399 -3.421 5.820 224 H GLU 30 H GLU 30 -5.493 -5.554 0.506 225 HA GLU 30 HA GLU 30 -6.479 -3.968 -1.603 226 HB2 GLU 30 2HB GLU 30 -7.161 -6.824 -0.800 227 HB3 GLU 30 3HB GLU 30 -7.697 -6.092 -2.307 228 HG2 GLU 30 2HG GLU 30 -5.357 -5.828 -3.026 229 HG3 GLU 30 3HG GLU 30 -4.803 -6.524 -1.503 230 H GLU 31 H GLU 31 -7.981 -5.139 1.343 231 HA GLU 31 HA GLU 31 -10.691 -4.585 0.638 232 HB2 GLU 31 2HB GLU 31 -9.951 -6.315 2.292 233 HB3 GLU 31 3HB GLU 31 -9.448 -5.025 3.377 234 HG2 GLU 31 2HG GLU 31 -11.730 -4.280 3.652 235 HG3 GLU 31 3HG GLU 31 -12.292 -5.388 2.400 236 H LEU 32 H LEU 32 -8.123 -2.919 2.390 237 HA LEU 32 HA LEU 32 -9.448 -0.627 3.279 238 HB2 LEU 32 2HB LEU 32 -6.597 -1.112 2.383 239 HB3 LEU 32 3HB LEU 32 -7.110 0.481 2.903 240 HG LEU 32 HG LEU 32 -7.342 -1.965 4.704 241 HD11 LEU 32 1HD1 LEU 32 -5.077 0.054 4.649 242 HD12 LEU 32 2HD1 LEU 32 -4.962 -1.625 4.118 243 HD13 LEU 32 3HD1 LEU 32 -5.284 -1.258 5.810 244 HD21 LEU 32 3HD2 LEU 32 -7.495 -0.308 6.497 245 HD22 LEU 32 1HD2 LEU 32 -8.770 -0.057 5.311 246 HD23 LEU 32 2HD2 LEU 32 -7.361 1.007 5.327 247 H VAL 33 H VAL 33 -7.839 -1.267 0.156 248 HA VAL 33 HA VAL 33 -8.182 1.288 -0.997 249 HB VAL 33 HB VAL 33 -7.802 -1.411 -2.385 250 HG11 VAL 33 1HG1 VAL 33 -7.436 1.376 -3.566 251 HG12 VAL 33 2HG1 VAL 33 -8.713 0.236 -3.984 252 HG13 VAL 33 3HG1 VAL 33 -7.038 -0.147 -4.376 253 HG21 VAL 33 3HG2 VAL 33 -5.416 -0.755 -2.547 254 HG22 VAL 33 1HG2 VAL 33 -5.954 -0.849 -0.868 255 HG23 VAL 33 2HG2 VAL 33 -5.762 0.723 -1.644 256 H GLU 34 H GLU 34 -10.063 -1.720 -1.509 257 HA GLU 34 HA GLU 34 -11.807 -0.743 -3.455 258 HB2 GLU 34 2HB GLU 34 -13.228 -2.697 -3.004 259 HB3 GLU 34 3HB GLU 34 -11.526 -3.145 -3.037 260 HG2 GLU 34 2HG GLU 34 -11.492 -3.168 -0.570 261 HG3 GLU 34 3HG GLU 34 -13.197 -2.736 -0.543 262 H THR 35 H THR 35 -12.210 -0.748 0.106 263 HA THR 35 HA THR 35 -14.887 0.385 -0.032 264 HB THR 35 HB THR 35 -14.769 0.402 2.441 265 HG1 THR 35 HG1 THR 35 -12.691 0.799 2.979 266 HG21 THR 35 3HG2 THR 35 -13.754 -2.212 1.248 267 HG22 THR 35 1HG2 THR 35 -15.443 -1.693 1.317 268 HG23 THR 35 2HG2 THR 35 -14.562 -2.029 2.806 269 H ASP 36 H ASP 36 -11.608 1.515 0.446 270 HA ASP 36 HA ASP 36 -12.402 4.322 0.666 271 HB2 ASP 36 2HB ASP 36 -10.736 2.908 2.808 272 HB3 ASP 36 3HB ASP 36 -10.848 4.656 2.664 273 HA PRO 37 HA PRO 37 -8.648 3.772 -2.036 274 HB2 PRO 37 2HB PRO 37 -9.389 5.670 -3.879 275 HB3 PRO 37 3HB PRO 37 -9.939 3.991 -3.971 276 HG2 PRO 37 2HG PRO 37 -11.367 6.395 -2.828 277 HG3 PRO 37 3HG PRO 37 -11.996 5.138 -3.916 278 HD2 PRO 37 2HD PRO 37 -12.483 5.084 -1.255 279 HD3 PRO 37 3HD PRO 37 -12.247 3.583 -2.180 280 H ASP 38 H ASP 38 -10.172 6.245 -0.248 281 HA ASP 38 HA ASP 38 -8.153 8.302 -0.538 282 HB2 ASP 38 2HB ASP 38 -10.515 8.178 1.400 283 HB3 ASP 38 3HB ASP 38 -9.618 9.615 0.906 284 H TYR 39 H TYR 39 -7.531 5.541 0.743 285 HA TYR 39 HA TYR 39 -6.443 6.541 3.321 286 HB2 TYR 39 2HB TYR 39 -8.072 4.461 3.356 287 HB3 TYR 39 3HB TYR 39 -6.728 3.574 2.653 288 HD1 TYR 39 HD2 TYR 39 -4.579 3.302 3.997 289 HD2 TYR 39 HD1 TYR 39 -8.070 5.067 5.719 290 HE1 TYR 39 HE2 TYR 39 -3.633 2.980 6.235 291 HE2 TYR 39 HE1 TYR 39 -7.106 4.754 7.957 292 HH TYR 39 HH TYR 39 -3.868 3.931 8.476 293 H VAL 40 H VAL 40 -4.548 7.352 2.577 294 HA VAL 40 HA VAL 40 -3.205 6.420 0.237 295 HB VAL 40 HB VAL 40 -2.249 8.408 2.355 296 HG11 VAL 40 1HG1 VAL 40 -0.394 7.642 0.963 297 HG12 VAL 40 2HG1 VAL 40 -0.794 9.309 0.559 298 HG13 VAL 40 3HG1 VAL 40 -1.307 7.999 -0.505 299 HG21 VAL 40 3HG2 VAL 40 -3.133 10.170 0.870 300 HG22 VAL 40 1HG2 VAL 40 -4.421 9.076 1.381 301 HG23 VAL 40 2HG2 VAL 40 -3.742 8.943 -0.245 302 H GLY 41 H GLY 41 -2.743 5.947 3.684 303 HA2 GLY 41 2HA GLY 41 -0.084 5.021 3.780 304 HA3 GLY 41 3HA GLY 41 -1.338 4.667 4.958 305 H THR 42 H THR 42 -3.079 3.363 2.954 306 HA THR 42 HA THR 42 -2.339 0.694 3.101 307 HB THR 42 HB THR 42 -4.089 1.997 0.965 308 HG1 THR 42 HG1 THR 42 -5.723 1.774 2.400 309 HG21 THR 42 3HG2 THR 42 -5.186 -0.233 0.872 310 HG22 THR 42 1HG2 THR 42 -3.957 -0.871 1.967 311 HG23 THR 42 2HG2 THR 42 -3.501 -0.306 0.357 312 H TYR 43 H TYR 43 -2.095 2.892 0.293 313 HA TYR 43 HA TYR 43 -1.360 0.990 -1.602 314 HB2 TYR 43 2HB TYR 43 -0.860 3.989 -1.603 315 HB3 TYR 43 3HB TYR 43 -0.646 2.954 -3.014 316 HD1 TYR 43 HD1 TYR 43 -2.600 1.941 -4.151 317 HD2 TYR 43 HD2 TYR 43 -3.133 4.576 -0.823 318 HE1 TYR 43 HE1 TYR 43 -4.965 2.206 -4.736 319 HE2 TYR 43 HE2 TYR 43 -5.501 4.831 -1.427 320 HH TYR 43 HH TYR 43 -6.897 4.628 -3.406 321 H TYR 44 H TYR 44 0.728 3.197 0.241 322 HA TYR 44 HA TYR 44 3.195 2.522 -0.668 323 HB2 TYR 44 2HB TYR 44 2.539 4.282 1.058 324 HB3 TYR 44 3HB TYR 44 2.546 3.001 2.268 325 HD1 TYR 44 HD2 TYR 44 4.744 4.523 -0.373 326 HD2 TYR 44 HD1 TYR 44 4.583 2.588 3.441 327 HE1 TYR 44 HE2 TYR 44 7.156 4.850 -0.097 328 HE2 TYR 44 HE1 TYR 44 7.003 2.915 3.702 329 HH TYR 44 HH TYR 44 8.809 4.971 1.693 330 H HIS 45 H HIS 45 1.629 1.006 2.127 331 HA HIS 45 HA HIS 45 3.637 -1.007 2.500 332 HB2 HIS 45 2HB HIS 45 0.869 -0.683 3.729 333 HB3 HIS 45 3HB HIS 45 2.022 -1.926 4.225 334 HD1 HIS 45 HD1 HIS 45 3.630 -1.260 6.004 335 HD2 HIS 45 HD2 HIS 45 1.998 2.045 4.091 336 HE1 HIS 45 HE1 HIS 45 4.490 0.743 7.258 337 HE2 HIS 45 HE2 HIS 45 3.428 2.723 6.130 338 H LEU 46 H LEU 46 0.655 -0.960 0.745 339 HA LEU 46 HA LEU 46 0.326 -3.769 0.322 340 HB2 LEU 46 2HB LEU 46 -1.579 -2.263 0.181 341 HB3 LEU 46 3HB LEU 46 -0.804 -1.314 -1.073 342 HG LEU 46 HG LEU 46 -1.088 -3.147 -2.692 343 HD11 LEU 46 1HD1 LEU 46 -0.883 -5.086 -1.194 344 HD12 LEU 46 2HD1 LEU 46 -2.333 -5.183 -2.190 345 HD13 LEU 46 3HD1 LEU 46 -2.463 -4.721 -0.493 346 HD21 LEU 46 3HD2 LEU 46 -3.682 -2.521 -1.238 347 HD22 LEU 46 1HD2 LEU 46 -3.536 -3.101 -2.900 348 HD23 LEU 46 2HD2 LEU 46 -2.912 -1.513 -2.467 349 H GLY 47 H GLY 47 1.812 -1.086 -1.453 350 HA2 GLY 47 2HA GLY 47 2.546 -2.541 -3.806 351 HA3 GLY 47 3HA GLY 47 3.119 -0.952 -3.328 352 H LYS 48 H LYS 48 4.187 -1.660 -0.794 353 HA LYS 48 HA LYS 48 6.768 -2.623 -1.392 354 HB2 LYS 48 2HB LYS 48 5.310 -2.332 1.266 355 HB3 LYS 48 3HB LYS 48 6.984 -2.882 1.166 356 HG2 LYS 48 2HG LYS 48 5.944 -0.201 0.198 357 HG3 LYS 48 3HG LYS 48 6.833 -0.483 1.699 358 HD2 LYS 48 2HD LYS 48 8.785 -1.282 0.318 359 HD3 LYS 48 3HD LYS 48 7.888 -0.858 -1.143 360 HE2 LYS 48 2HE LYS 48 9.462 0.917 -0.605 361 HE3 LYS 48 3HE LYS 48 7.817 1.513 -0.370 362 HZ1 LYS 48 3HZ LYS 48 8.071 1.111 2.008 363 HZ2 LYS 48 1HZ LYS 48 9.267 2.165 1.431 364 HZ3 LYS 48 2HZ LYS 48 9.644 0.553 1.757 365 H LEU 49 H LEU 49 3.881 -4.187 -0.134 366 HA LEU 49 HA LEU 49 5.032 -6.753 0.333 367 HB2 LEU 49 2HB LEU 49 2.982 -5.961 1.442 368 HB3 LEU 49 3HB LEU 49 2.137 -5.943 -0.096 369 HG LEU 49 HG LEU 49 2.135 -8.369 -0.221 370 HD11 LEU 49 1HD1 LEU 49 4.371 -8.878 0.638 371 HD12 LEU 49 2HD1 LEU 49 3.160 -9.812 1.511 372 HD13 LEU 49 3HD1 LEU 49 3.888 -8.395 2.268 373 HD21 LEU 49 3HD2 LEU 49 0.821 -8.941 1.787 374 HD22 LEU 49 1HD2 LEU 49 0.374 -7.350 1.175 375 HD23 LEU 49 2HD2 LEU 49 1.406 -7.489 2.601 376 H TYR 50 H TYR 50 3.343 -5.292 -2.463 377 HA TYR 50 HA TYR 50 3.349 -7.513 -4.175 378 HB2 TYR 50 2HB TYR 50 3.461 -4.547 -4.750 379 HB3 TYR 50 3HB TYR 50 3.471 -5.723 -6.057 380 HD1 TYR 50 HD1 TYR 50 1.528 -7.739 -5.222 381 HD2 TYR 50 HD2 TYR 50 1.348 -3.490 -4.809 382 HE1 TYR 50 HE1 TYR 50 -0.920 -7.833 -5.237 383 HE2 TYR 50 HE2 TYR 50 -1.100 -3.602 -4.813 384 HH TYR 50 HH TYR 50 -2.870 -4.997 -5.491 385 H GLU 51 H GLU 51 5.898 -5.038 -3.712 386 HA GLU 51 HA GLU 51 7.790 -5.910 -5.567 387 HB2 GLU 51 2HB GLU 51 8.200 -4.694 -2.805 388 HB3 GLU 51 3HB GLU 51 9.520 -4.968 -3.938 389 HG2 GLU 51 2HG GLU 51 8.418 -3.425 -5.554 390 HG3 GLU 51 3HG GLU 51 7.160 -3.109 -4.354 391 H ARG 52 H ARG 52 7.180 -7.031 -2.269 392 HA ARG 52 HA ARG 52 9.229 -8.963 -2.011 393 HB2 ARG 52 2HB ARG 52 6.486 -8.766 -0.711 394 HB3 ARG 52 3HB ARG 52 7.712 -9.933 -0.228 395 HG2 ARG 52 2HG ARG 52 9.195 -8.155 0.507 396 HG3 ARG 52 3HG ARG 52 8.076 -6.928 -0.094 397 HD2 ARG 52 2HD ARG 52 7.965 -7.284 2.389 398 HD3 ARG 52 3HD ARG 52 6.420 -7.522 1.559 399 HE ARG 52 HE ARG 52 7.514 -10.031 1.661 400 HH11 ARG 52 1HH1 ARG 52 6.822 -7.648 4.152 401 HH12 ARG 52 2HH1 ARG 52 6.498 -8.848 5.360 402 HH21 ARG 52 1HH2 ARG 52 7.059 -11.569 3.235 403 HH22 ARG 52 2HH2 ARG 52 6.626 -11.073 4.840 404 H LEU 53 H LEU 53 5.868 -9.210 -3.175 405 HA LEU 53 HA LEU 53 5.935 -12.088 -3.482 406 HB2 LEU 53 2HB LEU 53 3.842 -10.033 -4.273 407 HB3 LEU 53 3HB LEU 53 3.602 -11.773 -4.342 408 HG LEU 53 HG LEU 53 4.061 -10.151 -1.805 409 HD11 LEU 53 1HD1 LEU 53 1.514 -11.430 -2.837 410 HD12 LEU 53 2HD1 LEU 53 1.859 -9.701 -2.753 411 HD13 LEU 53 3HD1 LEU 53 1.716 -10.639 -1.269 412 HD21 LEU 53 3HD2 LEU 53 4.977 -12.412 -1.552 413 HD22 LEU 53 1HD2 LEU 53 3.452 -13.114 -2.103 414 HD23 LEU 53 2HD2 LEU 53 3.521 -12.224 -0.578 415 H ASP 54 H ASP 54 7.610 -10.105 -5.295 416 HA ASP 54 HA ASP 54 8.373 -9.916 -7.418 417 HB2 ASP 54 2HB ASP 54 8.681 -12.382 -7.151 418 HB3 ASP 54 3HB ASP 54 7.068 -12.649 -7.799 419 H ARG 55 H ARG 55 5.537 -9.158 -6.672 420 HA ARG 55 HA ARG 55 4.295 -8.804 -9.323 421 HB2 ARG 55 2HB ARG 55 3.196 -8.242 -6.520 422 HB3 ARG 55 3HB ARG 55 2.289 -8.103 -8.023 423 HG2 ARG 55 2HG ARG 55 3.375 -10.666 -6.805 424 HG3 ARG 55 3HG ARG 55 1.685 -10.148 -6.827 425 HD2 ARG 55 2HD ARG 55 3.380 -10.861 -9.250 426 HD3 ARG 55 3HD ARG 55 2.098 -11.848 -8.548 427 HE ARG 55 HE ARG 55 1.343 -9.175 -9.427 428 HH11 ARG 55 1HH1 ARG 55 1.346 -12.599 -10.208 429 HH12 ARG 55 2HH1 ARG 55 0.197 -12.411 -11.494 430 HH21 ARG 55 1HH2 ARG 55 -0.144 -8.942 -11.080 431 HH22 ARG 55 2HH2 ARG 55 -0.660 -10.334 -11.982 432 H THR 56 H THR 56 6.639 -7.468 -8.966 433 HA THR 56 HA THR 56 6.538 -4.990 -7.610 434 HB THR 56 HB THR 56 8.437 -5.776 -9.855 435 HG1 THR 56 HG1 THR 56 8.968 -7.333 -8.528 436 HG21 THR 56 3HG2 THR 56 8.827 -3.937 -7.460 437 HG22 THR 56 1HG2 THR 56 8.645 -3.406 -9.133 438 HG23 THR 56 2HG2 THR 56 10.061 -4.342 -8.652 439 H ASP 57 H ASP 57 5.769 -5.918 -10.936 440 HA ASP 57 HA ASP 57 5.437 -3.344 -12.087 441 HB2 ASP 57 2HB ASP 57 5.567 -5.402 -13.451 442 HB3 ASP 57 3HB ASP 57 4.074 -5.996 -12.741 443 H ASP 58 H ASP 58 3.221 -5.537 -10.405 444 HA ASP 58 HA ASP 58 0.860 -3.968 -10.484 445 HB2 ASP 58 2HB ASP 58 1.692 -5.981 -8.333 446 HB3 ASP 58 3HB ASP 58 0.058 -5.362 -8.579 447 H ALA 59 H ALA 59 3.637 -3.995 -8.314 448 HA ALA 59 HA ALA 59 2.736 -2.266 -6.286 449 HB1 ALA 59 3HB ALA 59 4.791 -3.633 -6.067 450 HB2 ALA 59 1HB ALA 59 5.111 -1.928 -5.741 451 HB3 ALA 59 2HB ALA 59 5.586 -2.639 -7.286 452 H ILE 60 H ILE 60 4.443 -1.623 -9.362 453 HA ILE 60 HA ILE 60 4.843 1.134 -9.200 454 HB ILE 60 HB ILE 60 4.134 -0.386 -11.763 455 HG12 ILE 60 2HG1 ILE 60 5.993 -1.552 -10.673 456 HG13 ILE 60 3HG1 ILE 60 6.600 -0.706 -12.085 457 HG21 ILE 60 1HG2 ILE 60 5.459 1.351 -12.932 458 HG22 ILE 60 2HG2 ILE 60 5.709 2.188 -11.401 459 HG23 ILE 60 3HG2 ILE 60 4.085 2.045 -12.070 460 HD11 ILE 60 3HD1 ILE 60 6.898 0.171 -9.216 461 HD12 ILE 60 1HD1 ILE 60 7.492 1.048 -10.628 462 HD13 ILE 60 2HD1 ILE 60 8.142 -0.542 -10.241 463 H ASP 61 H ASP 61 2.042 -0.695 -10.299 464 HA ASP 61 HA ASP 61 0.425 1.519 -11.139 465 HB2 ASP 61 2HB ASP 61 0.262 -0.865 -12.007 466 HB3 ASP 61 3HB ASP 61 -0.450 -1.328 -10.468 467 H THR 62 H THR 62 0.757 -0.321 -8.130 468 HA THR 62 HA THR 62 -1.585 0.641 -6.797 469 HB THR 62 HB THR 62 0.975 -0.545 -5.636 470 HG1 THR 62 HG1 THR 62 -0.574 -1.729 -7.194 471 HG21 THR 62 3HG2 THR 62 -0.350 -1.124 -3.652 472 HG22 THR 62 1HG2 THR 62 -1.771 -0.343 -4.340 473 HG23 THR 62 2HG2 THR 62 -0.367 0.626 -3.890 474 H TYR 63 H TYR 63 1.834 1.534 -6.655 475 HA TYR 63 HA TYR 63 1.642 3.748 -4.940 476 HB2 TYR 63 2HB TYR 63 3.659 3.178 -7.151 477 HB3 TYR 63 3HB TYR 63 3.828 4.471 -5.964 478 HD1 TYR 63 HD1 TYR 63 3.105 3.230 -3.425 479 HD2 TYR 63 HD2 TYR 63 5.325 1.560 -6.663 480 HE1 TYR 63 HE1 TYR 63 4.247 1.721 -1.875 481 HE2 TYR 63 HE2 TYR 63 6.459 0.048 -5.101 482 HH TYR 63 HH TYR 63 6.948 -0.170 -2.833 483 H ALA 64 H ALA 64 1.318 3.456 -8.486 484 HA ALA 64 HA ALA 64 1.077 6.158 -9.177 485 HB1 ALA 64 3HB ALA 64 1.403 4.358 -10.825 486 HB2 ALA 64 1HB ALA 64 0.009 5.360 -11.246 487 HB3 ALA 64 2HB ALA 64 -0.230 3.773 -10.511 488 H GLN 65 H GLN 65 -1.504 3.805 -8.400 489 HA GLN 65 HA GLN 65 -3.738 5.496 -8.401 490 HB2 GLN 65 2HB GLN 65 -3.085 2.982 -6.832 491 HB3 GLN 65 3HB GLN 65 -4.618 3.809 -6.593 492 HG2 GLN 65 2HG GLN 65 -3.794 2.961 -9.360 493 HG3 GLN 65 3HG GLN 65 -4.452 1.773 -8.240 494 HE21 GLN 65 1HE2 GLN 65 -5.567 5.168 -8.419 495 HE22 GLN 65 2HE2 GLN 65 -7.147 4.778 -8.983 496 H GLY 66 H GLY 66 -1.454 4.699 -5.874 497 HA2 GLY 66 2HA GLY 66 -2.499 6.114 -3.714 498 HA3 GLY 66 3HA GLY 66 -0.816 5.663 -3.930 499 H ILE 67 H ILE 67 -0.277 7.191 -6.261 500 HA ILE 67 HA ILE 67 0.617 9.618 -5.201 501 HB ILE 67 HB ILE 67 0.264 8.642 -8.063 502 HG12 ILE 67 2HG1 ILE 67 2.828 9.133 -6.472 503 HG13 ILE 67 3HG1 ILE 67 2.020 7.575 -6.563 504 HG21 ILE 67 1HG2 ILE 67 0.108 11.103 -8.161 505 HG22 ILE 67 2HG2 ILE 67 1.597 10.528 -8.911 506 HG23 ILE 67 3HG2 ILE 67 1.641 11.239 -7.298 507 HD11 ILE 67 3HD1 ILE 67 3.905 7.682 -8.060 508 HD12 ILE 67 1HD1 ILE 67 3.226 9.088 -8.877 509 HD13 ILE 67 2HD1 ILE 67 2.412 7.521 -8.981 510 H GLU 68 H GLU 68 -2.229 8.847 -7.116 511 HA GLU 68 HA GLU 68 -3.188 11.446 -7.651 512 HB2 GLU 68 2HB GLU 68 -4.769 8.845 -7.394 513 HB3 GLU 68 3HB GLU 68 -5.298 10.304 -8.235 514 HG2 GLU 68 2HG GLU 68 -3.519 10.024 -9.893 515 HG3 GLU 68 3HG GLU 68 -2.901 8.620 -9.026 516 H VAL 69 H VAL 69 -3.941 9.098 -5.086 517 HA VAL 69 HA VAL 69 -5.793 10.896 -3.724 518 HB VAL 69 HB VAL 69 -6.162 9.113 -2.101 519 HG11 VAL 69 1HG1 VAL 69 -6.129 8.039 -4.945 520 HG12 VAL 69 2HG1 VAL 69 -7.419 8.990 -4.201 521 HG13 VAL 69 3HG1 VAL 69 -7.066 7.364 -3.611 522 HG21 VAL 69 3HG2 VAL 69 -3.875 8.222 -1.880 523 HG22 VAL 69 1HG2 VAL 69 -3.967 7.547 -3.512 524 HG23 VAL 69 2HG2 VAL 69 -5.014 6.924 -2.236 525 H ALA 70 H ALA 70 -2.423 10.319 -3.613 526 HA ALA 70 HA ALA 70 -1.884 10.850 -0.838 527 HB1 ALA 70 3HB ALA 70 -0.019 11.033 -3.231 528 HB2 ALA 70 1HB ALA 70 -0.284 9.608 -2.226 529 HB3 ALA 70 2HB ALA 70 0.472 11.041 -1.534 530 H ARG 71 H ARG 71 -1.710 12.730 -3.815 531 HA ARG 71 HA ARG 71 -0.831 15.157 -2.601 532 HB2 ARG 71 2HB ARG 71 -1.165 16.139 -4.801 533 HB3 ARG 71 3HB ARG 71 -0.396 14.565 -4.954 534 HG2 ARG 71 2HG ARG 71 -2.693 13.623 -5.511 535 HG3 ARG 71 3HG ARG 71 -3.272 15.290 -5.585 536 HD2 ARG 71 2HD ARG 71 -1.238 13.929 -7.368 537 HD3 ARG 71 3HD ARG 71 -2.777 14.657 -7.825 538 HE ARG 71 HE ARG 71 -1.785 16.845 -7.302 539 HH11 ARG 71 1HH1 ARG 71 0.388 14.195 -8.026 540 HH12 ARG 71 2HH1 ARG 71 1.709 15.236 -8.434 541 HH21 ARG 71 1HH2 ARG 71 -0.023 18.187 -7.815 542 HH22 ARG 71 2HH2 ARG 71 1.482 17.484 -8.314 543 H GLU 72 H GLU 72 -3.998 13.749 -3.145 544 HA GLU 72 HA GLU 72 -5.417 16.267 -2.679 545 HB2 GLU 72 2HB GLU 72 -6.455 13.447 -3.191 546 HB3 GLU 72 3HB GLU 72 -7.467 14.887 -3.058 547 HG2 GLU 72 2HG GLU 72 -6.323 15.851 -5.046 548 HG3 GLU 72 3HG GLU 72 -5.356 14.386 -5.185 549 H GLU 73 H GLU 73 -5.353 13.034 -1.154 550 HA GLU 73 HA GLU 73 -6.841 13.951 1.163 551 HB2 GLU 73 2HB GLU 73 -5.827 11.168 0.446 552 HB3 GLU 73 3HB GLU 73 -6.890 11.541 1.805 553 HG2 GLU 73 2HG GLU 73 -7.554 11.945 -1.133 554 HG3 GLU 73 3HG GLU 73 -8.128 10.621 -0.119 555 H GLY 74 H GLY 74 -3.601 12.446 0.566 556 HA2 GLY 74 2HA GLY 74 -2.883 12.692 3.388 557 HA3 GLY 74 3HA GLY 74 -1.903 12.006 2.095 558 H THR 75 H THR 75 -0.190 13.314 3.166 559 HA THR 75 HA THR 75 -0.249 16.179 2.455 560 HB THR 75 HB THR 75 1.794 16.375 3.859 561 HG1 THR 75 HG1 THR 75 1.439 13.569 4.134 562 HG21 THR 75 3HG2 THR 75 -0.434 14.890 5.314 563 HG22 THR 75 1HG2 THR 75 -0.402 16.629 4.989 564 HG23 THR 75 2HG2 THR 75 0.798 15.908 6.062 565 H GLN 76 H GLN 76 2.069 16.985 1.791 566 HA GLN 76 HA GLN 76 2.798 16.056 -0.741 567 HB2 GLN 76 2HB GLN 76 3.269 18.334 -0.026 568 HB3 GLN 76 3HB GLN 76 4.305 17.772 1.278 569 HG2 GLN 76 2HG GLN 76 5.629 18.687 -0.563 570 HG3 GLN 76 3HG GLN 76 5.963 16.970 -0.346 571 HE21 GLN 76 1HE2 GLN 76 6.671 16.578 -2.420 572 HE22 GLN 76 2HE2 GLN 76 5.667 16.685 -3.822 573 H LYS 77 H LYS 77 3.900 15.051 2.445 574 HA LYS 77 HA LYS 77 6.313 13.778 1.747 575 HB2 LYS 77 2HB LYS 77 6.369 12.867 3.909 576 HB3 LYS 77 3HB LYS 77 5.317 14.246 4.151 577 HG2 LYS 77 2HG LYS 77 3.358 12.783 4.065 578 HG3 LYS 77 3HG LYS 77 4.388 11.398 3.742 579 HD2 LYS 77 2HD LYS 77 5.437 11.658 5.966 580 HD3 LYS 77 3HD LYS 77 4.378 13.036 6.302 581 HE2 LYS 77 2HE LYS 77 3.568 10.889 7.316 582 HE3 LYS 77 3HE LYS 77 2.408 11.605 6.195 583 HZ1 LYS 77 3HZ LYS 77 3.030 10.038 4.524 584 HZ2 LYS 77 1HZ LYS 77 2.698 9.180 5.938 585 HZ3 LYS 77 2HZ LYS 77 4.299 9.435 5.459 586 H ASP 78 H ASP 78 2.952 12.650 1.773 587 HA ASP 78 HA ASP 78 3.474 9.886 1.295 588 HB2 ASP 78 2HB ASP 78 0.923 11.522 0.915 589 HB3 ASP 78 3HB ASP 78 1.003 9.764 0.816 590 H LEU 79 H LEU 79 2.605 12.654 -0.717 591 HA LEU 79 HA LEU 79 2.381 11.414 -3.216 592 HB2 LEU 79 2HB LEU 79 1.728 13.752 -2.831 593 HB3 LEU 79 3HB LEU 79 3.392 14.199 -2.495 594 HG LEU 79 HG LEU 79 3.994 13.737 -4.878 595 HD11 LEU 79 1HD1 LEU 79 1.033 13.196 -5.263 596 HD12 LEU 79 2HD1 LEU 79 2.346 12.021 -5.408 597 HD13 LEU 79 3HD1 LEU 79 2.230 13.352 -6.555 598 HD21 LEU 79 3HD2 LEU 79 1.667 15.676 -4.587 599 HD22 LEU 79 1HD2 LEU 79 2.874 15.684 -5.876 600 HD23 LEU 79 2HD2 LEU 79 3.359 16.028 -4.218 601 H SER 80 H SER 80 5.219 12.699 -1.512 602 HA SER 80 HA SER 80 7.120 12.197 -3.569 603 HB2 SER 80 2HB SER 80 7.342 13.928 -1.752 604 HB3 SER 80 3HB SER 80 7.602 12.625 -0.589 605 HG SER 80 HG SER 80 9.398 12.013 -2.076 606 H GLU 81 H GLU 81 5.970 10.320 -0.774 607 HA GLU 81 HA GLU 81 8.100 8.414 -0.688 608 HB2 GLU 81 2HB GLU 81 5.307 8.370 0.521 609 HB3 GLU 81 3HB GLU 81 6.486 7.090 0.788 610 HG2 GLU 81 2HG GLU 81 8.012 8.710 1.851 611 HG3 GLU 81 3HG GLU 81 6.840 9.997 1.584 612 H LEU 82 H LEU 82 4.867 8.442 -2.112 613 HA LEU 82 HA LEU 82 4.927 5.717 -3.016 614 HB2 LEU 82 2HB LEU 82 3.117 8.053 -3.718 615 HB3 LEU 82 3HB LEU 82 2.843 6.402 -4.266 616 HG LEU 82 HG LEU 82 3.010 7.127 -1.308 617 HD11 LEU 82 1HD1 LEU 82 0.588 7.090 -1.197 618 HD12 LEU 82 2HD1 LEU 82 0.488 6.874 -2.943 619 HD13 LEU 82 3HD1 LEU 82 1.144 8.368 -2.275 620 HD21 LEU 82 3HD2 LEU 82 1.882 4.978 -0.966 621 HD22 LEU 82 1HD2 LEU 82 3.410 4.764 -1.818 622 HD23 LEU 82 2HD2 LEU 82 1.885 4.678 -2.705 623 H GLN 83 H GLN 83 5.607 8.855 -4.525 624 HA GLN 83 HA GLN 83 6.090 7.923 -7.169 625 HB2 GLN 83 2HB GLN 83 7.006 10.418 -5.680 626 HB3 GLN 83 3HB GLN 83 7.460 10.109 -7.355 627 HG2 GLN 83 2HG GLN 83 5.103 10.100 -8.022 628 HG3 GLN 83 3HG GLN 83 4.608 10.345 -6.350 629 HE21 GLN 83 1HE2 GLN 83 6.592 12.326 -5.695 630 HE22 GLN 83 2HE2 GLN 83 6.178 13.768 -6.549 631 H ASP 84 H ASP 84 8.161 8.378 -4.328 632 HA ASP 84 HA ASP 84 10.655 7.758 -5.534 633 HB2 ASP 84 2HB ASP 84 10.494 8.986 -3.399 634 HB3 ASP 84 3HB ASP 84 9.770 7.584 -2.620 635 H ALA 85 H ALA 85 8.244 5.809 -3.796 636 HA ALA 85 HA ALA 85 9.782 3.471 -3.488 637 HB1 ALA 85 3HB ALA 85 6.761 3.756 -3.471 638 HB2 ALA 85 1HB ALA 85 7.824 4.018 -2.086 639 HB3 ALA 85 2HB ALA 85 7.689 2.412 -2.802 640 H LYS 86 H LYS 86 7.382 4.428 -5.962 641 HA LYS 86 HA LYS 86 7.569 1.978 -7.390 642 HB2 LYS 86 2HB LYS 86 6.417 3.095 -9.262 643 HB3 LYS 86 3HB LYS 86 5.601 3.302 -7.724 644 HG2 LYS 86 2HG LYS 86 6.271 5.596 -7.559 645 HG3 LYS 86 3HG LYS 86 7.373 5.440 -8.932 646 HD2 LYS 86 2HD LYS 86 4.345 5.126 -9.084 647 HD3 LYS 86 3HD LYS 86 5.228 6.598 -9.505 648 HE2 LYS 86 2HE LYS 86 6.375 5.460 -11.310 649 HE3 LYS 86 3HE LYS 86 5.678 3.909 -10.847 650 HZ1 LYS 86 3HZ LYS 86 4.208 6.259 -11.880 651 HZ2 LYS 86 1HZ LYS 86 3.485 4.818 -11.374 652 HZ3 LYS 86 2HZ LYS 86 4.517 4.824 -12.711 653 H LEU 87 H LEU 87 9.390 5.094 -7.814 654 HA LEU 87 HA LEU 87 10.427 4.295 -10.355 655 HB2 LEU 87 2HB LEU 87 11.988 6.213 -10.212 656 HB3 LEU 87 3HB LEU 87 10.309 6.630 -9.962 657 HG LEU 87 HG LEU 87 10.870 6.683 -7.426 658 HD11 LEU 87 1HD1 LEU 87 13.714 6.840 -8.471 659 HD12 LEU 87 2HD1 LEU 87 13.049 5.589 -7.418 660 HD13 LEU 87 3HD1 LEU 87 13.198 7.243 -6.830 661 HD21 LEU 87 3HD2 LEU 87 10.385 8.692 -8.736 662 HD22 LEU 87 1HD2 LEU 87 12.068 8.785 -9.263 663 HD23 LEU 87 2HD2 LEU 87 11.655 9.007 -7.561 664 H LYS 88 H LYS 88 11.682 3.924 -7.069 665 HA LYS 88 HA LYS 88 14.160 2.723 -7.851 666 HB2 LYS 88 2HB LYS 88 14.378 2.006 -5.523 667 HB3 LYS 88 3HB LYS 88 13.820 3.675 -5.583 668 HG2 LYS 88 2HG LYS 88 11.601 3.058 -4.962 669 HG3 LYS 88 3HG LYS 88 11.927 1.345 -5.217 670 HD2 LYS 88 2HD LYS 88 13.578 1.466 -3.286 671 HD3 LYS 88 3HD LYS 88 12.989 3.107 -2.975 672 HE2 LYS 88 2HE LYS 88 11.882 1.331 -1.562 673 HE3 LYS 88 3HE LYS 88 10.757 2.292 -2.521 674 HZ1 LYS 88 3HZ LYS 88 10.318 -0.142 -2.557 675 HZ2 LYS 88 1HZ LYS 88 11.781 -0.363 -3.375 676 HZ3 LYS 88 2HZ LYS 88 10.534 0.531 -4.090 677 H ALA 89 H ALA 89 10.888 1.420 -7.181 678 HA ALA 89 HA ALA 89 11.511 -1.322 -7.439 679 HB1 ALA 89 3HB ALA 89 9.074 -1.638 -7.649 680 HB2 ALA 89 1HB ALA 89 8.866 0.097 -7.892 681 HB3 ALA 89 2HB ALA 89 9.463 -0.513 -6.348 682 H GLU 90 H GLU 90 10.842 1.156 -9.868 683 HA GLU 90 HA GLU 90 10.657 -0.508 -12.149 684 HB2 GLU 90 2HB GLU 90 11.830 2.303 -11.982 685 HB3 GLU 90 3HB GLU 90 11.307 1.491 -13.460 686 HG2 GLU 90 2HG GLU 90 8.986 1.424 -12.567 687 HG3 GLU 90 3HG GLU 90 9.527 2.298 -11.140 688 H GLY 91 H GLY 91 13.385 0.646 -10.266 689 HA2 GLY 91 2HA GLY 91 15.527 -0.228 -11.910 690 HA3 GLY 91 3HA GLY 91 15.598 0.058 -10.177 691 H LEU 92 H LEU 92 13.423 -1.892 -9.646 692 HA LEU 92 HA LEU 92 14.920 -4.356 -9.525 693 HB2 LEU 92 2HB LEU 92 11.962 -3.930 -8.955 694 HB3 LEU 92 3HB LEU 92 12.939 -5.297 -8.438 695 HG LEU 92 HG LEU 92 13.220 -2.430 -7.448 696 HD11 LEU 92 1HD1 LEU 92 12.359 -3.279 -5.307 697 HD12 LEU 92 2HD1 LEU 92 12.129 -4.877 -6.022 698 HD13 LEU 92 3HD1 LEU 92 11.188 -3.504 -6.606 699 HD21 LEU 92 3HD2 LEU 92 14.750 -4.916 -6.593 700 HD22 LEU 92 1HD2 LEU 92 14.826 -3.342 -5.793 701 HD23 LEU 92 2HD2 LEU 92 15.410 -3.517 -7.446 702 H GLU 93 H GLU 93 12.395 -2.984 -11.546 703 HA GLU 93 HA GLU 93 11.622 -5.357 -12.906 704 HB2 GLU 93 2HB GLU 93 11.216 -2.408 -13.554 705 HB3 GLU 93 3HB GLU 93 10.568 -3.700 -14.561 706 HG2 GLU 93 2HG GLU 93 9.907 -3.303 -11.624 707 HG3 GLU 93 3HG GLU 93 8.900 -2.767 -12.969 708 H HIS 94 H HIS 94 13.410 -2.526 -14.243 709 HA HIS 94 HA HIS 94 15.459 -4.136 -15.436 710 HB2 HIS 94 2HB HIS 94 13.491 -4.554 -17.002 711 HB3 HIS 94 3HB HIS 94 13.498 -2.840 -17.395 712 HD1 HIS 94 HD1 HIS 94 15.816 -5.852 -17.575 713 HD2 HIS 94 HD2 HIS 94 15.119 -2.256 -19.529 714 HE1 HIS 94 HE1 HIS 94 17.317 -5.871 -19.582 715 HE2 HIS 94 HE2 HIS 94 16.654 -3.831 -20.874 716 H HIS 95 H HIS 95 17.189 -2.864 -15.312 717 HA HIS 95 HA HIS 95 17.008 0.057 -15.691 718 HB2 HIS 95 2HB HIS 95 16.654 -0.382 -13.269 719 HB3 HIS 95 3HB HIS 95 18.142 -1.316 -13.212 720 HD1 HIS 95 HD1 HIS 95 20.399 0.091 -13.578 721 HD2 HIS 95 HD2 HIS 95 16.978 2.326 -12.828 722 HE1 HIS 95 HE1 HIS 95 21.216 2.349 -12.866 723 HE2 HIS 95 HE2 HIS 95 19.138 3.591 -12.189 724 H HIS 96 H HIS 96 18.485 0.448 -17.243 725 HA HIS 96 HA HIS 96 20.995 -1.054 -17.427 726 HB2 HIS 96 2HB HIS 96 19.922 1.258 -19.115 727 HB3 HIS 96 3HB HIS 96 21.443 0.430 -19.414 728 HD1 HIS 96 HD1 HIS 96 21.353 -1.748 -20.692 729 HD2 HIS 96 HD2 HIS 96 17.586 -0.264 -19.758 730 HE1 HIS 96 HE1 HIS 96 19.739 -3.111 -22.044 731 HE2 HIS 96 HE2 HIS 96 17.522 -1.983 -21.675 732 H HIS 97 H HIS 97 20.216 2.443 -17.474 733 HA HIS 97 HA HIS 97 21.979 3.186 -15.346 734 HB2 HIS 97 2HB HIS 97 23.661 2.686 -17.152 735 HB3 HIS 97 3HB HIS 97 22.868 3.847 -18.205 736 HD1 HIS 97 HD1 HIS 97 24.129 5.983 -18.294 737 HD2 HIS 97 HD2 HIS 97 24.536 4.136 -14.596 738 HE1 HIS 97 HE1 HIS 97 25.695 7.440 -16.983 739 HE2 HIS 97 HE2 HIS 97 25.743 6.417 -14.684 740 H HIS 98 H HIS 98 20.245 4.346 -14.580 741 HA HIS 98 HA HIS 98 18.504 5.952 -16.171 742 HB2 HIS 98 2HB HIS 98 17.720 4.964 -14.065 743 HB3 HIS 98 3HB HIS 98 18.911 5.871 -13.149 744 HD1 HIS 98 HD1 HIS 98 15.585 6.214 -14.828 745 HD2 HIS 98 HD2 HIS 98 18.223 8.588 -12.669 746 HE1 HIS 98 HE1 HIS 98 14.288 8.261 -14.204 747 HE2 HIS 98 HE2 HIS 98 15.959 9.754 -13.074 748 H HIS 99 H HIS 99 21.044 6.779 -13.798 749 HA HIS 99 HA HIS 99 21.805 9.114 -15.338 750 HB2 HIS 99 2HB HIS 99 19.932 9.921 -13.796 751 HB3 HIS 99 3HB HIS 99 20.968 9.519 -12.426 752 HD1 HIS 99 HD1 HIS 99 22.732 11.217 -11.791 753 HD2 HIS 99 HD2 HIS 99 20.972 12.068 -15.459 754 HE1 HIS 99 HE1 HIS 99 23.601 13.476 -12.445 755 HE2 HIS 99 HE2 HIS 99 22.449 14.008 -14.622 Start of MODEL 8 1 H1 GLU 1 1H GLU 1 -10.383 1.266 15.693 2 H2 GLU 1 2H GLU 1 -10.084 2.553 16.746 3 H3 GLU 1 3H GLU 1 -11.483 1.620 16.928 4 HA GLU 1 HA GLU 1 -8.703 0.679 17.281 5 HB2 GLU 1 2HB GLU 1 -10.889 1.182 19.338 6 HB3 GLU 1 3HB GLU 1 -9.321 0.457 19.690 7 HG2 GLU 1 2HG GLU 1 -8.232 2.589 18.918 8 HG3 GLU 1 3HG GLU 1 -9.838 3.297 18.745 9 H ASP 2 H ASP 2 -11.880 -0.148 16.454 10 HA ASP 2 HA ASP 2 -11.561 -3.004 17.096 11 HB2 ASP 2 2HB ASP 2 -13.788 -1.847 17.454 12 HB3 ASP 2 3HB ASP 2 -13.867 -1.527 15.727 13 HA PRO 3 HA PRO 3 -9.631 -3.810 13.084 14 HB2 PRO 3 2HB PRO 3 -11.219 -6.378 13.150 15 HB3 PRO 3 3HB PRO 3 -9.490 -6.126 12.851 16 HG2 PRO 3 2HG PRO 3 -10.289 -7.006 15.219 17 HG3 PRO 3 3HG PRO 3 -9.017 -5.768 15.130 18 HD2 PRO 3 2HD PRO 3 -11.941 -5.439 15.809 19 HD3 PRO 3 3HD PRO 3 -10.514 -4.677 16.549 20 H GLU 4 H GLU 4 -13.045 -3.487 13.297 21 HA GLU 4 HA GLU 4 -13.619 -3.669 10.496 22 HB2 GLU 4 2HB GLU 4 -15.090 -2.259 12.760 23 HB3 GLU 4 3HB GLU 4 -15.705 -2.372 11.112 24 HG2 GLU 4 2HG GLU 4 -15.110 -4.768 12.888 25 HG3 GLU 4 3HG GLU 4 -16.698 -4.022 12.705 26 H ASP 5 H ASP 5 -12.549 -1.042 12.632 27 HA ASP 5 HA ASP 5 -12.757 1.178 10.925 28 HB2 ASP 5 2HB ASP 5 -10.701 0.612 13.110 29 HB3 ASP 5 3HB ASP 5 -10.860 2.175 12.317 30 HA PRO 6 HA PRO 6 -9.780 0.393 7.646 31 HB2 PRO 6 2HB PRO 6 -9.016 3.070 7.177 32 HB3 PRO 6 3HB PRO 6 -10.412 2.259 6.458 33 HG2 PRO 6 2HG PRO 6 -10.290 4.030 8.894 34 HG3 PRO 6 3HG PRO 6 -11.493 4.009 7.584 35 HD2 PRO 6 2HD PRO 6 -12.056 2.880 9.930 36 HD3 PRO 6 3HD PRO 6 -12.542 2.067 8.424 37 H PHE 7 H PHE 7 -8.746 2.840 10.077 38 HA PHE 7 HA PHE 7 -5.978 2.526 9.812 39 HB2 PHE 7 2HB PHE 7 -6.947 4.426 11.015 40 HB3 PHE 7 3HB PHE 7 -7.594 3.359 12.255 41 HD1 PHE 7 HD2 PHE 7 -4.311 4.335 10.698 42 HD2 PHE 7 HD1 PHE 7 -6.336 3.080 14.255 43 HE1 PHE 7 HE2 PHE 7 -2.235 4.600 11.988 44 HE2 PHE 7 HE1 PHE 7 -4.247 3.343 15.531 45 HZ PHE 7 HZ PHE 7 -2.195 4.104 14.399 46 H THR 8 H THR 8 -8.286 0.675 11.762 47 HA THR 8 HA THR 8 -6.222 -0.546 13.389 48 HB THR 8 HB THR 8 -9.169 -1.323 13.277 49 HG1 THR 8 HG1 THR 8 -7.924 0.933 14.258 50 HG21 THR 8 3HG2 THR 8 -7.696 -2.936 14.486 51 HG22 THR 8 1HG2 THR 8 -8.788 -2.104 15.596 52 HG23 THR 8 2HG2 THR 8 -7.094 -1.621 15.497 53 H ARG 9 H ARG 9 -8.274 -1.547 10.646 54 HA ARG 9 HA ARG 9 -7.334 -4.274 10.602 55 HB2 ARG 9 2HB ARG 9 -8.640 -4.577 8.604 56 HB3 ARG 9 3HB ARG 9 -9.577 -3.615 9.733 57 HG2 ARG 9 2HG ARG 9 -8.605 -1.579 8.351 58 HG3 ARG 9 3HG ARG 9 -8.353 -2.811 7.114 59 HD2 ARG 9 2HD ARG 9 -10.985 -2.007 8.404 60 HD3 ARG 9 3HD ARG 9 -10.478 -1.713 6.736 61 HE ARG 9 HE ARG 9 -10.414 -4.392 6.840 62 HH11 ARG 9 1HH1 ARG 9 -12.898 -2.123 7.836 63 HH12 ARG 9 2HH1 ARG 9 -14.186 -3.237 7.540 64 HH21 ARG 9 1HH2 ARG 9 -12.143 -5.812 6.467 65 HH22 ARG 9 2HH2 ARG 9 -13.769 -5.304 6.789 66 H TYR 10 H TYR 10 -6.331 -1.264 9.174 67 HA TYR 10 HA TYR 10 -4.324 -2.200 7.397 68 HB2 TYR 10 2HB TYR 10 -5.078 0.101 7.262 69 HB3 TYR 10 3HB TYR 10 -4.671 0.402 8.944 70 HD1 TYR 10 HD2 TYR 10 -3.008 -0.572 5.700 71 HD2 TYR 10 HD1 TYR 10 -2.653 1.524 9.405 72 HE1 TYR 10 HE2 TYR 10 -0.819 0.312 5.002 73 HE2 TYR 10 HE1 TYR 10 -0.475 2.398 8.698 74 HH TYR 10 HH TYR 10 0.619 2.303 5.554 75 H ALA 11 H ALA 11 -4.220 -1.141 10.792 76 HA ALA 11 HA ALA 11 -1.533 -1.737 11.387 77 HB1 ALA 11 3HB ALA 11 -3.936 -1.734 13.255 78 HB2 ALA 11 1HB ALA 11 -2.973 -0.323 12.818 79 HB3 ALA 11 2HB ALA 11 -2.245 -1.630 13.752 80 H LEU 12 H LEU 12 -4.463 -3.671 11.514 81 HA LEU 12 HA LEU 12 -3.523 -6.015 12.757 82 HB2 LEU 12 2HB LEU 12 -5.906 -5.473 12.516 83 HB3 LEU 12 3HB LEU 12 -5.776 -5.560 10.770 84 HG LEU 12 HG LEU 12 -5.305 -8.022 10.966 85 HD11 LEU 12 1HD1 LEU 12 -4.412 -8.121 13.229 86 HD12 LEU 12 2HD1 LEU 12 -5.804 -9.189 13.065 87 HD13 LEU 12 3HD1 LEU 12 -5.978 -7.642 13.898 88 HD21 LEU 12 3HD2 LEU 12 -7.628 -8.679 11.434 89 HD22 LEU 12 1HD2 LEU 12 -7.562 -7.223 10.442 90 HD23 LEU 12 2HD2 LEU 12 -7.940 -7.102 12.164 91 H ALA 13 H ALA 13 -3.750 -5.032 9.362 92 HA ALA 13 HA ALA 13 -2.782 -7.350 8.109 93 HB1 ALA 13 3HB ALA 13 -2.521 -4.469 7.182 94 HB2 ALA 13 1HB ALA 13 -3.910 -5.520 6.897 95 HB3 ALA 13 2HB ALA 13 -2.350 -5.905 6.168 96 H GLN 14 H GLN 14 -1.088 -4.469 9.323 97 HA GLN 14 HA GLN 14 1.540 -5.187 8.552 98 HB2 GLN 14 2HB GLN 14 0.576 -3.367 10.791 99 HB3 GLN 14 3HB GLN 14 2.247 -3.468 10.232 100 HG2 GLN 14 2HG GLN 14 1.578 -2.674 8.009 101 HG3 GLN 14 3HG GLN 14 -0.110 -2.624 8.523 102 HE21 GLN 14 1HE2 GLN 14 3.030 -1.110 8.856 103 HE22 GLN 14 2HE2 GLN 14 2.453 0.355 9.564 104 H GLU 15 H GLU 15 -0.384 -6.048 11.390 105 HA GLU 15 HA GLU 15 1.783 -7.344 12.776 106 HB2 GLU 15 2HB GLU 15 -1.226 -7.605 13.153 107 HB3 GLU 15 3HB GLU 15 -0.014 -8.316 14.219 108 HG2 GLU 15 2HG GLU 15 -0.526 -5.364 13.751 109 HG3 GLU 15 3HG GLU 15 -0.891 -6.285 15.207 110 H HIS 16 H HIS 16 -0.785 -8.429 10.540 111 HA HIS 16 HA HIS 16 -0.167 -11.179 10.569 112 HB2 HIS 16 2HB HIS 16 -1.458 -9.442 8.443 113 HB3 HIS 16 3HB HIS 16 -1.175 -11.158 8.170 114 HD1 HIS 16 HD1 HIS 16 -2.262 -12.729 10.215 115 HD2 HIS 16 HD2 HIS 16 -3.919 -8.981 9.512 116 HE1 HIS 16 HE1 HIS 16 -4.552 -12.801 11.241 117 HE2 HIS 16 HE2 HIS 16 -5.565 -10.556 10.722 118 H LEU 17 H LEU 17 1.354 -8.487 8.873 119 HA LEU 17 HA LEU 17 3.003 -9.872 7.077 120 HB2 LEU 17 2HB LEU 17 3.439 -7.242 8.535 121 HB3 LEU 17 3HB LEU 17 4.527 -7.830 7.287 122 HG LEU 17 HG LEU 17 1.585 -7.144 6.870 123 HD11 LEU 17 1HD1 LEU 17 2.385 -5.236 5.556 124 HD12 LEU 17 2HD1 LEU 17 4.059 -5.644 5.942 125 HD13 LEU 17 3HD1 LEU 17 2.957 -5.131 7.221 126 HD21 LEU 17 3HD2 LEU 17 3.688 -8.035 4.867 127 HD22 LEU 17 1HD2 LEU 17 2.061 -7.472 4.472 128 HD23 LEU 17 2HD2 LEU 17 2.275 -8.960 5.387 129 H LYS 18 H LYS 18 3.648 -8.927 10.479 130 HA LYS 18 HA LYS 18 6.268 -10.141 10.529 131 HB2 LYS 18 2HB LYS 18 6.380 -9.480 12.870 132 HB3 LYS 18 3HB LYS 18 5.730 -8.150 11.921 133 HG2 LYS 18 2HG LYS 18 3.436 -8.777 12.678 134 HG3 LYS 18 3HG LYS 18 4.145 -10.034 13.693 135 HD2 LYS 18 2HD LYS 18 3.626 -8.039 15.020 136 HD3 LYS 18 3HD LYS 18 5.369 -8.317 14.977 137 HE2 LYS 18 2HE LYS 18 5.669 -6.542 13.343 138 HE3 LYS 18 3HE LYS 18 3.921 -6.352 13.165 139 HZ1 LYS 18 3HZ LYS 18 3.767 -5.523 15.374 140 HZ2 LYS 18 1HZ LYS 18 4.983 -4.657 14.581 141 HZ3 LYS 18 2HZ LYS 18 5.393 -5.863 15.693 142 H HIS 19 H HIS 19 3.019 -11.201 11.248 143 HA HIS 19 HA HIS 19 3.851 -13.713 12.479 144 HB2 HIS 19 2HB HIS 19 1.090 -12.770 11.584 145 HB3 HIS 19 3HB HIS 19 1.410 -14.243 12.495 146 HD1 HIS 19 HD1 HIS 19 -0.307 -11.613 13.346 147 HD2 HIS 19 HD2 HIS 19 3.430 -12.768 14.766 148 HE1 HIS 19 HE1 HIS 19 -0.056 -10.490 15.571 149 HE2 HIS 19 HE2 HIS 19 2.155 -11.291 16.465 150 H ASP 20 H ASP 20 4.169 -12.679 9.444 151 HA ASP 20 HA ASP 20 4.754 -13.668 7.513 152 HB2 ASP 20 2HB ASP 20 5.820 -15.380 9.019 153 HB3 ASP 20 3HB ASP 20 4.354 -16.345 8.905 154 H ASN 21 H ASN 21 1.729 -13.656 8.640 155 HA ASN 21 HA ASN 21 0.332 -15.111 6.536 156 HB2 ASN 21 2HB ASN 21 -0.756 -13.115 8.577 157 HB3 ASN 21 3HB ASN 21 -1.725 -14.151 7.546 158 HD21 ASN 21 1HD2 ASN 21 -0.102 -16.543 7.943 159 HD22 ASN 21 2HD2 ASN 21 -0.398 -17.058 9.561 160 H ALA 22 H ALA 22 1.985 -13.657 5.146 161 HA ALA 22 HA ALA 22 1.445 -10.924 4.688 162 HB1 ALA 22 3HB ALA 22 2.883 -11.226 2.695 163 HB2 ALA 22 1HB ALA 22 2.838 -12.972 2.928 164 HB3 ALA 22 2HB ALA 22 3.605 -11.939 4.135 165 H SER 23 H SER 23 0.337 -13.901 3.098 166 HA SER 23 HA SER 23 -1.171 -12.876 1.007 167 HB2 SER 23 2HB SER 23 -2.487 -15.039 1.223 168 HB3 SER 23 3HB SER 23 -0.735 -15.254 1.193 169 HG SER 23 HG SER 23 -2.480 -15.962 3.100 170 H ARG 24 H ARG 24 -2.137 -13.366 4.420 171 HA ARG 24 HA ARG 24 -4.884 -12.601 4.047 172 HB2 ARG 24 2HB ARG 24 -3.241 -12.827 6.613 173 HB3 ARG 24 3HB ARG 24 -4.999 -12.730 6.523 174 HG2 ARG 24 2HG ARG 24 -3.285 -14.999 5.446 175 HG3 ARG 24 3HG ARG 24 -4.249 -15.040 6.926 176 HD2 ARG 24 2HD ARG 24 -6.304 -14.822 5.640 177 HD3 ARG 24 3HD ARG 24 -5.391 -14.624 4.142 178 HE ARG 24 HE ARG 24 -4.870 -17.112 5.532 179 HH11 ARG 24 1HH1 ARG 24 -6.928 -15.548 3.147 180 HH12 ARG 24 2HH1 ARG 24 -7.410 -17.046 2.412 181 HH21 ARG 24 1HH2 ARG 24 -5.523 -19.070 4.551 182 HH22 ARG 24 2HH2 ARG 24 -6.615 -19.032 3.201 183 H ALA 25 H ALA 25 -1.937 -11.019 5.099 184 HA ALA 25 HA ALA 25 -2.965 -8.493 5.883 185 HB1 ALA 25 3HB ALA 25 -0.715 -9.292 6.507 186 HB2 ALA 25 1HB ALA 25 -0.623 -7.744 5.669 187 HB3 ALA 25 2HB ALA 25 -0.216 -9.238 4.817 188 H LEU 26 H LEU 26 -1.911 -9.886 2.850 189 HA LEU 26 HA LEU 26 -1.759 -7.576 1.218 190 HB2 LEU 26 2HB LEU 26 -0.764 -9.843 0.679 191 HB3 LEU 26 3HB LEU 26 -2.385 -10.437 0.374 192 HG LEU 26 HG LEU 26 -2.564 -8.717 -1.499 193 HD11 LEU 26 1HD1 LEU 26 0.422 -8.413 -1.057 194 HD12 LEU 26 2HD1 LEU 26 -0.800 -7.177 -0.752 195 HD13 LEU 26 3HD1 LEU 26 -0.514 -7.739 -2.393 196 HD21 LEU 26 3HD2 LEU 26 -1.234 -10.035 -3.103 197 HD22 LEU 26 1HD2 LEU 26 -2.115 -11.077 -1.985 198 HD23 LEU 26 2HD2 LEU 26 -0.383 -10.813 -1.767 199 H ALA 27 H ALA 27 -4.234 -10.039 1.713 200 HA ALA 27 HA ALA 27 -6.316 -9.049 0.165 201 HB1 ALA 27 3HB ALA 27 -6.503 -10.616 2.758 202 HB2 ALA 27 1HB ALA 27 -6.267 -11.306 1.149 203 HB3 ALA 27 2HB ALA 27 -7.774 -10.472 1.538 204 H LEU 28 H LEU 28 -5.515 -8.310 3.584 205 HA LEU 28 HA LEU 28 -7.692 -6.607 4.139 206 HB2 LEU 28 2HB LEU 28 -4.964 -6.983 5.353 207 HB3 LEU 28 3HB LEU 28 -5.898 -5.584 5.852 208 HG LEU 28 HG LEU 28 -6.884 -8.458 6.107 209 HD11 LEU 28 1HD1 LEU 28 -6.449 -8.228 8.516 210 HD12 LEU 28 2HD1 LEU 28 -5.727 -6.639 8.242 211 HD13 LEU 28 3HD1 LEU 28 -4.958 -8.084 7.582 212 HD21 LEU 28 3HD2 LEU 28 -8.015 -5.850 7.201 213 HD22 LEU 28 1HD2 LEU 28 -8.633 -7.467 7.550 214 HD23 LEU 28 2HD2 LEU 28 -8.720 -6.830 5.911 215 H PHE 29 H PHE 29 -4.481 -5.870 2.774 216 HA PHE 29 HA PHE 29 -4.801 -3.041 2.729 217 HB2 PHE 29 2HB PHE 29 -2.965 -4.854 1.119 218 HB3 PHE 29 3HB PHE 29 -2.889 -3.101 1.064 219 HD1 PHE 29 HD2 PHE 29 -3.058 -2.289 3.880 220 HD2 PHE 29 HD1 PHE 29 -0.980 -5.600 2.132 221 HE1 PHE 29 HE2 PHE 29 -1.438 -2.276 5.737 222 HE2 PHE 29 HE1 PHE 29 0.632 -5.568 3.992 223 HZ PHE 29 HZ PHE 29 0.400 -3.908 5.799 224 H GLU 30 H GLU 30 -5.249 -5.558 0.230 225 HA GLU 30 HA GLU 30 -6.101 -3.917 -1.902 226 HB2 GLU 30 2HB GLU 30 -6.702 -6.846 -1.312 227 HB3 GLU 30 3HB GLU 30 -7.013 -6.059 -2.858 228 HG2 GLU 30 2HG GLU 30 -4.635 -5.681 -3.201 229 HG3 GLU 30 3HG GLU 30 -4.266 -6.307 -1.595 230 H GLU 31 H GLU 31 -7.799 -5.294 0.828 231 HA GLU 31 HA GLU 31 -10.477 -4.773 -0.012 232 HB2 GLU 31 2HB GLU 31 -9.959 -6.432 1.724 233 HB3 GLU 31 3HB GLU 31 -9.254 -5.192 2.749 234 HG2 GLU 31 2HG GLU 31 -11.468 -4.145 3.020 235 HG3 GLU 31 3HG GLU 31 -12.182 -5.380 1.976 236 H LEU 32 H LEU 32 -8.077 -3.046 1.984 237 HA LEU 32 HA LEU 32 -9.578 -0.833 2.776 238 HB2 LEU 32 2HB LEU 32 -6.618 -1.172 2.242 239 HB3 LEU 32 3HB LEU 32 -7.272 0.360 2.804 240 HG LEU 32 HG LEU 32 -7.634 -2.235 4.351 241 HD11 LEU 32 1HD1 LEU 32 -5.803 -1.518 5.809 242 HD12 LEU 32 2HD1 LEU 32 -5.495 -0.129 4.764 243 HD13 LEU 32 3HD1 LEU 32 -5.227 -1.766 4.159 244 HD21 LEU 32 3HD2 LEU 32 -7.958 0.680 5.144 245 HD22 LEU 32 1HD2 LEU 32 -8.137 -0.704 6.222 246 HD23 LEU 32 2HD2 LEU 32 -9.264 -0.483 4.888 247 H VAL 33 H VAL 33 -7.640 -1.327 -0.169 248 HA VAL 33 HA VAL 33 -7.885 1.217 -1.313 249 HB VAL 33 HB VAL 33 -7.548 -1.481 -2.699 250 HG11 VAL 33 1HG1 VAL 33 -7.118 1.298 -3.880 251 HG12 VAL 33 2HG1 VAL 33 -8.376 0.154 -4.347 252 HG13 VAL 33 3HG1 VAL 33 -6.685 -0.224 -4.669 253 HG21 VAL 33 3HG2 VAL 33 -5.481 0.617 -1.912 254 HG22 VAL 33 1HG2 VAL 33 -5.142 -0.876 -2.794 255 HG23 VAL 33 2HG2 VAL 33 -5.721 -0.947 -1.130 256 H GLU 34 H GLU 34 -9.884 -1.727 -1.961 257 HA GLU 34 HA GLU 34 -11.596 -0.390 -3.778 258 HB2 GLU 34 2HB GLU 34 -13.051 -2.360 -3.686 259 HB3 GLU 34 3HB GLU 34 -11.361 -2.802 -3.877 260 HG2 GLU 34 2HG GLU 34 -11.220 -3.463 -1.538 261 HG3 GLU 34 3HG GLU 34 -12.875 -2.916 -1.253 262 H THR 35 H THR 35 -12.083 -1.099 -0.249 263 HA THR 35 HA THR 35 -14.706 -0.046 -0.117 264 HB THR 35 HB THR 35 -14.364 -0.121 2.370 265 HG1 THR 35 HG1 THR 35 -11.891 -1.344 2.211 266 HG21 THR 35 3HG2 THR 35 -15.042 -2.203 1.212 267 HG22 THR 35 1HG2 THR 35 -13.983 -2.562 2.575 268 HG23 THR 35 2HG2 THR 35 -13.348 -2.612 0.928 269 H ASP 36 H ASP 36 -11.511 1.370 0.309 270 HA ASP 36 HA ASP 36 -12.621 4.082 0.302 271 HB2 ASP 36 2HB ASP 36 -12.308 3.347 2.750 272 HB3 ASP 36 3HB ASP 36 -10.588 3.263 2.417 273 HA PRO 37 HA PRO 37 -8.925 3.715 -2.474 274 HB2 PRO 37 2HB PRO 37 -9.710 5.568 -4.314 275 HB3 PRO 37 3HB PRO 37 -10.376 3.930 -4.289 276 HG2 PRO 37 2HG PRO 37 -11.539 6.460 -3.129 277 HG3 PRO 37 3HG PRO 37 -12.331 5.235 -4.143 278 HD2 PRO 37 2HD PRO 37 -12.614 5.263 -1.442 279 HD3 PRO 37 3HD PRO 37 -12.590 3.739 -2.360 280 H ASP 38 H ASP 38 -9.913 6.049 -0.318 281 HA ASP 38 HA ASP 38 -8.057 8.167 -1.165 282 HB2 ASP 38 2HB ASP 38 -10.198 8.074 1.000 283 HB3 ASP 38 3HB ASP 38 -9.203 9.487 0.650 284 H TYR 39 H TYR 39 -8.354 5.617 1.209 285 HA TYR 39 HA TYR 39 -6.582 6.614 3.177 286 HB2 TYR 39 2HB TYR 39 -8.234 4.639 3.394 287 HB3 TYR 39 3HB TYR 39 -7.015 3.648 2.608 288 HD1 TYR 39 HD2 TYR 39 -4.859 3.154 3.809 289 HD2 TYR 39 HD1 TYR 39 -7.967 5.367 5.725 290 HE1 TYR 39 HE2 TYR 39 -3.810 2.729 5.980 291 HE2 TYR 39 HE1 TYR 39 -6.898 4.957 7.905 292 HH TYR 39 HH TYR 39 -3.729 3.639 8.175 293 H VAL 40 H VAL 40 -4.725 7.402 2.385 294 HA VAL 40 HA VAL 40 -3.246 6.402 0.184 295 HB VAL 40 HB VAL 40 -2.315 8.347 2.351 296 HG11 VAL 40 1HG1 VAL 40 -0.451 7.553 0.962 297 HG12 VAL 40 2HG1 VAL 40 -0.802 9.240 0.584 298 HG13 VAL 40 3HG1 VAL 40 -1.338 7.960 -0.508 299 HG21 VAL 40 3HG2 VAL 40 -4.452 9.095 1.353 300 HG22 VAL 40 1HG2 VAL 40 -3.752 8.969 -0.262 301 HG23 VAL 40 2HG2 VAL 40 -3.128 10.163 0.882 302 H GLY 41 H GLY 41 -2.961 5.958 3.675 303 HA2 GLY 41 2HA GLY 41 -0.306 5.116 3.958 304 HA3 GLY 41 3HA GLY 41 -1.627 4.686 5.032 305 H THR 42 H THR 42 -3.164 3.284 3.020 306 HA THR 42 HA THR 42 -2.292 0.658 3.195 307 HB THR 42 HB THR 42 -4.106 1.934 1.092 308 HG1 THR 42 HG1 THR 42 -5.687 1.584 2.512 309 HG21 THR 42 3HG2 THR 42 -5.052 -0.340 0.805 310 HG22 THR 42 1HG2 THR 42 -3.798 -0.995 1.864 311 HG23 THR 42 2HG2 THR 42 -3.361 -0.273 0.313 312 H TYR 43 H TYR 43 -2.010 2.919 0.464 313 HA TYR 43 HA TYR 43 -1.296 1.078 -1.479 314 HB2 TYR 43 2HB TYR 43 -0.827 4.080 -1.367 315 HB3 TYR 43 3HB TYR 43 -0.522 3.106 -2.807 316 HD1 TYR 43 HD1 TYR 43 -2.404 2.030 -4.025 317 HD2 TYR 43 HD2 TYR 43 -3.150 4.601 -0.694 318 HE1 TYR 43 HE1 TYR 43 -4.755 2.198 -4.683 319 HE2 TYR 43 HE2 TYR 43 -5.512 4.767 -1.370 320 HH TYR 43 HH TYR 43 -6.862 4.491 -3.392 321 H TYR 44 H TYR 44 0.914 3.111 0.501 322 HA TYR 44 HA TYR 44 3.311 2.314 -0.618 323 HB2 TYR 44 2HB TYR 44 2.954 4.133 1.122 324 HB3 TYR 44 3HB TYR 44 2.902 2.872 2.349 325 HD1 TYR 44 HD1 TYR 44 5.093 4.068 -0.465 326 HD2 TYR 44 HD2 TYR 44 4.955 2.322 3.434 327 HE1 TYR 44 HE1 TYR 44 7.543 4.168 -0.327 328 HE2 TYR 44 HE2 TYR 44 7.401 2.426 3.576 329 HH TYR 44 HH TYR 44 9.274 4.271 1.466 330 H HIS 45 H HIS 45 1.778 0.892 2.286 331 HA HIS 45 HA HIS 45 3.714 -1.190 2.575 332 HB2 HIS 45 2HB HIS 45 1.032 -0.710 3.915 333 HB3 HIS 45 3HB HIS 45 2.030 -2.112 4.301 334 HD1 HIS 45 HD1 HIS 45 3.420 -1.716 6.319 335 HD2 HIS 45 HD2 HIS 45 2.849 1.781 4.148 336 HE1 HIS 45 HE1 HIS 45 4.684 0.066 7.548 337 HE2 HIS 45 HE2 HIS 45 4.455 2.122 6.137 338 H LEU 46 H LEU 46 0.680 -1.047 0.870 339 HA LEU 46 HA LEU 46 0.339 -3.835 0.366 340 HB2 LEU 46 2HB LEU 46 -1.536 -2.294 0.123 341 HB3 LEU 46 3HB LEU 46 -0.680 -1.367 -1.094 342 HG LEU 46 HG LEU 46 -0.883 -3.201 -2.716 343 HD11 LEU 46 1HD1 LEU 46 -2.134 -5.250 -2.268 344 HD12 LEU 46 2HD1 LEU 46 -2.347 -4.779 -0.583 345 HD13 LEU 46 3HD1 LEU 46 -0.735 -5.130 -1.203 346 HD21 LEU 46 3HD2 LEU 46 -3.564 -2.615 -1.413 347 HD22 LEU 46 1HD2 LEU 46 -3.308 -3.189 -3.063 348 HD23 LEU 46 2HD2 LEU 46 -2.740 -1.589 -2.594 349 H GLY 47 H GLY 47 1.848 -1.148 -1.407 350 HA2 GLY 47 2HA GLY 47 2.653 -2.653 -3.697 351 HA3 GLY 47 3HA GLY 47 3.213 -1.052 -3.236 352 H LYS 48 H LYS 48 4.195 -1.812 -0.641 353 HA LYS 48 HA LYS 48 6.822 -2.689 -1.308 354 HB2 LYS 48 2HB LYS 48 5.457 -2.107 1.351 355 HB3 LYS 48 3HB LYS 48 7.117 -2.701 1.276 356 HG2 LYS 48 2HG LYS 48 6.089 -0.132 0.025 357 HG3 LYS 48 3HG LYS 48 7.066 -0.259 1.496 358 HD2 LYS 48 2HD LYS 48 8.963 -1.085 0.258 359 HD3 LYS 48 3HD LYS 48 8.006 -1.292 -1.210 360 HE2 LYS 48 2HE LYS 48 7.706 1.178 -1.318 361 HE3 LYS 48 3HE LYS 48 8.770 1.340 0.087 362 HZ1 LYS 48 3HZ LYS 48 10.536 0.359 -1.135 363 HZ2 LYS 48 1HZ LYS 48 9.907 1.637 -2.044 364 HZ3 LYS 48 2HZ LYS 48 9.529 0.034 -2.461 365 H LEU 49 H LEU 49 4.019 -4.182 0.171 366 HA LEU 49 HA LEU 49 5.185 -6.691 0.769 367 HB2 LEU 49 2HB LEU 49 3.067 -5.929 1.754 368 HB3 LEU 49 3HB LEU 49 2.293 -5.961 0.178 369 HG LEU 49 HG LEU 49 2.414 -8.396 0.090 370 HD11 LEU 49 1HD1 LEU 49 4.600 -8.736 1.175 371 HD12 LEU 49 2HD1 LEU 49 3.363 -9.762 1.883 372 HD13 LEU 49 3HD1 LEU 49 3.898 -8.316 2.740 373 HD21 LEU 49 3HD2 LEU 49 1.405 -7.487 2.807 374 HD22 LEU 49 1HD2 LEU 49 0.956 -8.979 1.978 375 HD23 LEU 49 2HD2 LEU 49 0.501 -7.422 1.292 376 H TYR 50 H TYR 50 3.494 -5.419 -2.108 377 HA TYR 50 HA TYR 50 3.603 -7.686 -3.743 378 HB2 TYR 50 2HB TYR 50 3.640 -4.727 -4.422 379 HB3 TYR 50 3HB TYR 50 3.743 -5.943 -5.689 380 HD1 TYR 50 HD1 TYR 50 1.813 -7.997 -4.771 381 HD2 TYR 50 HD2 TYR 50 1.503 -3.734 -4.717 382 HE1 TYR 50 HE1 TYR 50 -0.632 -8.166 -4.919 383 HE2 TYR 50 HE2 TYR 50 -0.939 -3.915 -4.849 384 HH TYR 50 HH TYR 50 -2.620 -6.785 -4.318 385 H GLU 51 H GLU 51 6.046 -5.073 -3.381 386 HA GLU 51 HA GLU 51 7.999 -5.993 -5.143 387 HB2 GLU 51 2HB GLU 51 8.336 -4.509 -2.513 388 HB3 GLU 51 3HB GLU 51 9.656 -4.783 -3.641 389 HG2 GLU 51 2HG GLU 51 8.466 -3.442 -5.348 390 HG3 GLU 51 3HG GLU 51 7.153 -3.162 -4.205 391 H ARG 52 H ARG 52 7.420 -6.923 -1.752 392 HA ARG 52 HA ARG 52 9.661 -8.650 -1.407 393 HB2 ARG 52 2HB ARG 52 6.970 -8.612 0.020 394 HB3 ARG 52 3HB ARG 52 8.346 -9.586 0.531 395 HG2 ARG 52 2HG ARG 52 9.644 -7.520 0.942 396 HG3 ARG 52 3HG ARG 52 8.249 -6.556 0.447 397 HD2 ARG 52 2HD ARG 52 8.359 -6.680 2.884 398 HD3 ARG 52 3HD ARG 52 6.924 -7.535 2.308 399 HE ARG 52 HE ARG 52 9.427 -8.967 3.006 400 HH11 ARG 52 1HH1 ARG 52 5.943 -8.624 3.436 401 HH12 ARG 52 2HH1 ARG 52 5.817 -10.027 4.447 402 HH21 ARG 52 1HH2 ARG 52 9.241 -10.788 4.333 403 HH22 ARG 52 2HH2 ARG 52 7.686 -11.266 4.941 404 H LEU 53 H LEU 53 6.360 -9.175 -2.567 405 HA LEU 53 HA LEU 53 6.593 -12.056 -2.837 406 HB2 LEU 53 2HB LEU 53 4.470 -10.089 -3.776 407 HB3 LEU 53 3HB LEU 53 4.311 -11.838 -3.863 408 HG LEU 53 HG LEU 53 4.619 -10.290 -1.256 409 HD11 LEU 53 1HD1 LEU 53 2.077 -11.382 -2.494 410 HD12 LEU 53 2HD1 LEU 53 2.507 -9.678 -2.335 411 HD13 LEU 53 3HD1 LEU 53 2.222 -10.650 -0.893 412 HD21 LEU 53 3HD2 LEU 53 3.918 -12.389 -0.179 413 HD22 LEU 53 1HD2 LEU 53 5.401 -12.614 -1.106 414 HD23 LEU 53 2HD2 LEU 53 3.862 -13.191 -1.751 415 H ASP 54 H ASP 54 8.204 -9.866 -4.537 416 HA ASP 54 HA ASP 54 8.894 -9.414 -6.627 417 HB2 ASP 54 2HB ASP 54 9.774 -11.758 -6.178 418 HB3 ASP 54 3HB ASP 54 8.413 -12.389 -7.094 419 H ARG 55 H ARG 55 6.252 -8.795 -6.233 420 HA ARG 55 HA ARG 55 5.029 -9.052 -8.903 421 HB2 ARG 55 2HB ARG 55 3.744 -8.288 -6.233 422 HB3 ARG 55 3HB ARG 55 2.902 -8.420 -7.773 423 HG2 ARG 55 2HG ARG 55 4.178 -10.691 -6.208 424 HG3 ARG 55 3HG ARG 55 2.451 -10.373 -6.388 425 HD2 ARG 55 2HD ARG 55 4.388 -11.204 -8.579 426 HD3 ARG 55 3HD ARG 55 3.101 -12.191 -7.875 427 HE ARG 55 HE ARG 55 2.481 -9.685 -9.328 428 HH11 ARG 55 1HH1 ARG 55 2.058 -13.161 -9.052 429 HH12 ARG 55 2HH1 ARG 55 0.811 -13.205 -10.256 430 HH21 ARG 55 1HH2 ARG 55 0.873 -9.747 -10.870 431 HH22 ARG 55 2HH2 ARG 55 0.139 -11.267 -11.299 432 H THR 56 H THR 56 7.028 -7.470 -9.050 433 HA THR 56 HA THR 56 7.056 -4.874 -8.057 434 HB THR 56 HB THR 56 8.106 -5.846 -10.756 435 HG1 THR 56 HG1 THR 56 9.444 -6.925 -9.542 436 HG21 THR 56 3HG2 THR 56 8.975 -3.444 -9.093 437 HG22 THR 56 1HG2 THR 56 8.113 -3.375 -10.632 438 HG23 THR 56 2HG2 THR 56 9.756 -4.010 -10.571 439 H ASP 57 H ASP 57 5.434 -6.128 -10.953 440 HA ASP 57 HA ASP 57 4.756 -3.629 -12.126 441 HB2 ASP 57 2HB ASP 57 3.323 -4.933 -13.644 442 HB3 ASP 57 3HB ASP 57 4.891 -5.704 -13.459 443 H ASP 58 H ASP 58 3.017 -5.865 -9.981 444 HA ASP 58 HA ASP 58 0.536 -4.508 -9.833 445 HB2 ASP 58 2HB ASP 58 1.934 -6.292 -7.787 446 HB3 ASP 58 3HB ASP 58 0.266 -5.748 -7.640 447 H ALA 59 H ALA 59 3.554 -4.245 -7.998 448 HA ALA 59 HA ALA 59 2.797 -2.444 -5.987 449 HB1 ALA 59 3HB ALA 59 4.928 -3.700 -5.945 450 HB2 ALA 59 1HB ALA 59 5.203 -1.969 -5.734 451 HB3 ALA 59 2HB ALA 59 5.531 -2.734 -7.292 452 H ILE 60 H ILE 60 4.185 -1.804 -9.231 453 HA ILE 60 HA ILE 60 4.499 0.969 -9.066 454 HB ILE 60 HB ILE 60 3.793 -0.550 -11.618 455 HG12 ILE 60 2HG1 ILE 60 5.710 -1.669 -10.607 456 HG13 ILE 60 3HG1 ILE 60 6.281 -0.743 -11.983 457 HG21 ILE 60 1HG2 ILE 60 5.053 1.255 -12.784 458 HG22 ILE 60 2HG2 ILE 60 5.260 2.092 -11.242 459 HG23 ILE 60 3HG2 ILE 60 3.645 1.873 -11.916 460 HD11 ILE 60 3HD1 ILE 60 7.830 -0.564 -10.168 461 HD12 ILE 60 1HD1 ILE 60 6.559 -0.012 -9.076 462 HD13 ILE 60 2HD1 ILE 60 7.066 1.002 -10.429 463 H ASP 61 H ASP 61 1.742 -0.940 -10.167 464 HA ASP 61 HA ASP 61 0.065 1.179 -11.024 465 HB2 ASP 61 2HB ASP 61 -0.208 -1.221 -11.699 466 HB3 ASP 61 3HB ASP 61 -0.739 -1.606 -10.064 467 H THR 62 H THR 62 0.355 -0.565 -7.968 468 HA THR 62 HA THR 62 -1.756 0.577 -6.517 469 HB THR 62 HB THR 62 0.919 -0.474 -5.468 470 HG1 THR 62 HG1 THR 62 0.149 -2.300 -6.161 471 HG21 THR 62 3HG2 THR 62 -0.297 -0.950 -3.379 472 HG22 THR 62 1HG2 THR 62 -1.756 -0.210 -4.041 473 HG23 THR 62 2HG2 THR 62 -0.327 0.778 -3.730 474 H TYR 63 H TYR 63 1.676 1.527 -6.711 475 HA TYR 63 HA TYR 63 1.551 3.758 -4.986 476 HB2 TYR 63 2HB TYR 63 3.496 3.178 -7.251 477 HB3 TYR 63 3HB TYR 63 3.714 4.452 -6.052 478 HD1 TYR 63 HD2 TYR 63 3.051 3.147 -3.506 479 HD2 TYR 63 HD1 TYR 63 5.173 1.567 -6.857 480 HE1 TYR 63 HE2 TYR 63 4.224 1.584 -2.032 481 HE2 TYR 63 HE1 TYR 63 6.349 0.007 -5.373 482 HH TYR 63 HH TYR 63 6.889 -0.319 -3.145 483 H ALA 64 H ALA 64 1.309 3.490 -8.528 484 HA ALA 64 HA ALA 64 1.159 6.157 -9.273 485 HB1 ALA 64 3HB ALA 64 -0.238 3.803 -10.593 486 HB2 ALA 64 1HB ALA 64 1.440 4.288 -10.869 487 HB3 ALA 64 2HB ALA 64 0.119 5.356 -11.352 488 H GLN 65 H GLN 65 -1.501 3.930 -8.460 489 HA GLN 65 HA GLN 65 -3.652 5.762 -8.781 490 HB2 GLN 65 2HB GLN 65 -3.527 3.074 -8.501 491 HB3 GLN 65 3HB GLN 65 -3.856 3.452 -6.820 492 HG2 GLN 65 2HG GLN 65 -5.658 4.666 -8.885 493 HG3 GLN 65 3HG GLN 65 -5.781 2.932 -8.638 494 HE21 GLN 65 1HE2 GLN 65 -5.230 5.329 -6.035 495 HE22 GLN 65 2HE2 GLN 65 -6.724 5.041 -5.250 496 H GLY 66 H GLY 66 -1.637 4.761 -6.079 497 HA2 GLY 66 2HA GLY 66 -2.840 6.126 -3.958 498 HA3 GLY 66 3HA GLY 66 -1.156 5.633 -4.042 499 H ILE 67 H ILE 67 -0.443 7.245 -6.326 500 HA ILE 67 HA ILE 67 0.468 9.579 -5.086 501 HB ILE 67 HB ILE 67 0.244 8.795 -8.018 502 HG12 ILE 67 2HG1 ILE 67 2.694 9.081 -6.213 503 HG13 ILE 67 3HG1 ILE 67 1.887 7.561 -6.574 504 HG21 ILE 67 1HG2 ILE 67 0.158 11.253 -8.013 505 HG22 ILE 67 2HG2 ILE 67 1.697 10.694 -8.662 506 HG23 ILE 67 3HG2 ILE 67 1.612 11.322 -7.017 507 HD11 ILE 67 3HD1 ILE 67 3.913 7.848 -7.866 508 HD12 ILE 67 1HD1 ILE 67 3.282 9.331 -8.576 509 HD13 ILE 67 2HD1 ILE 67 2.503 7.783 -8.920 510 H GLU 68 H GLU 68 -2.299 9.036 -7.194 511 HA GLU 68 HA GLU 68 -3.139 11.692 -7.613 512 HB2 GLU 68 2HB GLU 68 -4.818 9.149 -7.562 513 HB3 GLU 68 3HB GLU 68 -5.266 10.672 -8.334 514 HG2 GLU 68 2HG GLU 68 -3.401 10.435 -9.918 515 HG3 GLU 68 3HG GLU 68 -2.895 8.945 -9.123 516 H VAL 69 H VAL 69 -4.036 9.297 -5.169 517 HA VAL 69 HA VAL 69 -5.858 11.133 -3.816 518 HB VAL 69 HB VAL 69 -6.399 9.324 -2.288 519 HG11 VAL 69 1HG1 VAL 69 -7.374 7.717 -3.904 520 HG12 VAL 69 2HG1 VAL 69 -6.331 8.357 -5.175 521 HG13 VAL 69 3HG1 VAL 69 -7.569 9.384 -4.448 522 HG21 VAL 69 3HG2 VAL 69 -5.407 7.062 -2.466 523 HG22 VAL 69 1HG2 VAL 69 -4.192 8.261 -2.011 524 HG23 VAL 69 2HG2 VAL 69 -4.256 7.656 -3.668 525 H ALA 70 H ALA 70 -2.531 10.372 -3.637 526 HA ALA 70 HA ALA 70 -2.071 10.822 -0.835 527 HB1 ALA 70 3HB ALA 70 -0.526 9.470 -2.185 528 HB2 ALA 70 1HB ALA 70 0.320 10.814 -1.414 529 HB3 ALA 70 2HB ALA 70 -0.091 10.891 -3.133 530 H ARG 71 H ARG 71 -1.618 12.774 -3.750 531 HA ARG 71 HA ARG 71 -0.625 15.112 -2.484 532 HB2 ARG 71 2HB ARG 71 -1.115 16.227 -4.675 533 HB3 ARG 71 3HB ARG 71 -0.235 14.713 -4.855 534 HG2 ARG 71 2HG ARG 71 -2.365 13.562 -5.424 535 HG3 ARG 71 3HG ARG 71 -3.206 15.109 -5.323 536 HD2 ARG 71 2HD ARG 71 -1.828 15.970 -7.188 537 HD3 ARG 71 3HD ARG 71 -0.991 14.411 -7.280 538 HE ARG 71 HE ARG 71 -3.820 14.073 -7.491 539 HH11 ARG 71 1HH1 ARG 71 -1.048 15.083 -9.391 540 HH12 ARG 71 2HH1 ARG 71 -1.789 14.684 -10.901 541 HH21 ARG 71 1HH2 ARG 71 -4.777 13.571 -9.481 542 HH22 ARG 71 2HH2 ARG 71 -3.900 13.827 -10.956 543 H GLU 72 H GLU 72 -3.871 13.907 -2.996 544 HA GLU 72 HA GLU 72 -5.147 16.473 -2.434 545 HB2 GLU 72 2HB GLU 72 -6.392 13.760 -3.043 546 HB3 GLU 72 3HB GLU 72 -7.252 15.296 -2.957 547 HG2 GLU 72 2HG GLU 72 -5.152 14.501 -4.994 548 HG3 GLU 72 3HG GLU 72 -6.882 14.660 -5.279 549 H GLU 73 H GLU 73 -5.177 13.190 -1.010 550 HA GLU 73 HA GLU 73 -6.656 14.086 1.332 551 HB2 GLU 73 2HB GLU 73 -5.591 11.304 0.689 552 HB3 GLU 73 3HB GLU 73 -6.721 11.712 1.980 553 HG2 GLU 73 2HG GLU 73 -7.206 11.859 -1.001 554 HG3 GLU 73 3HG GLU 73 -7.928 10.725 0.140 555 H GLY 74 H GLY 74 -3.414 12.617 0.679 556 HA2 GLY 74 2HA GLY 74 -2.714 12.807 3.517 557 HA3 GLY 74 3HA GLY 74 -1.796 12.017 2.239 558 H THR 75 H THR 75 -0.028 13.220 3.385 559 HA THR 75 HA THR 75 0.213 16.051 2.586 560 HB THR 75 HB THR 75 2.239 16.064 4.063 561 HG1 THR 75 HG1 THR 75 1.431 13.451 4.865 562 HG21 THR 75 3HG2 THR 75 0.034 16.690 5.015 563 HG22 THR 75 1HG2 THR 75 1.060 15.899 6.216 564 HG23 THR 75 2HG2 THR 75 -0.249 15.002 5.445 565 H GLN 76 H GLN 76 2.550 16.658 1.967 566 HA GLN 76 HA GLN 76 3.373 15.536 -0.452 567 HB2 GLN 76 2HB GLN 76 3.989 17.809 0.170 568 HB3 GLN 76 3HB GLN 76 4.867 17.238 1.577 569 HG2 GLN 76 2HG GLN 76 6.572 17.800 0.103 570 HG3 GLN 76 3HG GLN 76 6.447 16.066 -0.119 571 HE21 GLN 76 1HE2 GLN 76 4.046 16.321 -1.897 572 HE22 GLN 76 2HE2 GLN 76 4.658 16.924 -3.382 573 H LYS 77 H LYS 77 4.229 14.735 2.843 574 HA LYS 77 HA LYS 77 6.495 13.123 2.516 575 HB2 LYS 77 2HB LYS 77 5.797 13.849 4.706 576 HB3 LYS 77 3HB LYS 77 4.211 13.115 4.516 577 HG2 LYS 77 2HG LYS 77 5.373 10.853 4.523 578 HG3 LYS 77 3HG LYS 77 6.858 11.698 4.965 579 HD2 LYS 77 2HD LYS 77 5.724 10.774 6.962 580 HD3 LYS 77 3HD LYS 77 5.796 12.538 7.030 581 HE2 LYS 77 2HE LYS 77 3.592 11.678 7.758 582 HE3 LYS 77 3HE LYS 77 3.439 12.678 6.312 583 HZ1 LYS 77 3HZ LYS 77 3.464 9.704 6.380 584 HZ2 LYS 77 1HZ LYS 77 3.330 10.646 4.987 585 HZ3 LYS 77 2HZ LYS 77 2.106 10.683 6.145 586 H ASP 78 H ASP 78 3.023 12.164 2.624 587 HA ASP 78 HA ASP 78 3.386 9.390 2.169 588 HB2 ASP 78 2HB ASP 78 0.929 11.113 1.557 589 HB3 ASP 78 3HB ASP 78 0.949 9.352 1.657 590 H LEU 79 H LEU 79 2.572 12.067 0.032 591 HA LEU 79 HA LEU 79 2.311 10.792 -2.419 592 HB2 LEU 79 2HB LEU 79 1.697 13.132 -1.969 593 HB3 LEU 79 3HB LEU 79 3.387 13.558 -1.750 594 HG LEU 79 HG LEU 79 3.804 13.061 -4.170 595 HD11 LEU 79 1HD1 LEU 79 1.903 12.745 -5.701 596 HD12 LEU 79 2HD1 LEU 79 0.800 12.655 -4.325 597 HD13 LEU 79 3HD1 LEU 79 2.033 11.412 -4.555 598 HD21 LEU 79 3HD2 LEU 79 3.313 15.363 -3.453 599 HD22 LEU 79 1HD2 LEU 79 1.587 15.080 -3.688 600 HD23 LEU 79 2HD2 LEU 79 2.689 15.050 -5.068 601 H SER 80 H SER 80 5.197 12.061 -0.849 602 HA SER 80 HA SER 80 7.017 11.648 -2.996 603 HB2 SER 80 2HB SER 80 7.346 13.336 -1.169 604 HB3 SER 80 3HB SER 80 7.642 12.020 -0.038 605 HG SER 80 HG SER 80 9.311 13.182 -1.814 606 H GLU 81 H GLU 81 5.996 9.699 -0.228 607 HA GLU 81 HA GLU 81 7.983 7.686 -0.336 608 HB2 GLU 81 2HB GLU 81 5.128 7.667 0.719 609 HB3 GLU 81 3HB GLU 81 6.192 6.273 0.865 610 HG2 GLU 81 2HG GLU 81 6.689 9.015 2.065 611 HG3 GLU 81 3HG GLU 81 6.135 7.582 2.932 612 H LEU 82 H LEU 82 4.762 7.896 -1.805 613 HA LEU 82 HA LEU 82 4.756 5.345 -3.062 614 HB2 LEU 82 2HB LEU 82 3.147 7.846 -3.693 615 HB3 LEU 82 3HB LEU 82 2.778 6.226 -4.286 616 HG LEU 82 HG LEU 82 2.806 7.020 -1.342 617 HD11 LEU 82 1HD1 LEU 82 0.373 6.870 -1.413 618 HD12 LEU 82 2HD1 LEU 82 0.430 6.575 -3.151 619 HD13 LEU 82 3HD1 LEU 82 0.968 8.123 -2.501 620 HD21 LEU 82 3HD2 LEU 82 3.331 4.656 -1.648 621 HD22 LEU 82 1HD2 LEU 82 1.907 4.443 -2.672 622 HD23 LEU 82 2HD2 LEU 82 1.720 4.837 -0.961 623 H GLN 83 H GLN 83 5.613 8.587 -4.196 624 HA GLN 83 HA GLN 83 6.006 7.989 -6.948 625 HB2 GLN 83 2HB GLN 83 7.056 10.243 -5.179 626 HB3 GLN 83 3HB GLN 83 7.349 10.178 -6.917 627 HG2 GLN 83 2HG GLN 83 4.956 10.308 -7.366 628 HG3 GLN 83 3HG GLN 83 4.596 10.236 -5.645 629 HE21 GLN 83 1HE2 GLN 83 6.669 12.082 -4.819 630 HE22 GLN 83 2HE2 GLN 83 6.182 13.646 -5.352 631 H ASP 84 H ASP 84 8.203 8.165 -4.179 632 HA ASP 84 HA ASP 84 10.678 7.714 -5.448 633 HB2 ASP 84 2HB ASP 84 10.375 8.548 -3.102 634 HB3 ASP 84 3HB ASP 84 9.808 6.963 -2.609 635 H ALA 85 H ALA 85 8.369 5.540 -3.944 636 HA ALA 85 HA ALA 85 9.897 3.180 -3.997 637 HB1 ALA 85 3HB ALA 85 8.019 3.565 -2.455 638 HB2 ALA 85 1HB ALA 85 7.808 2.066 -3.358 639 HB3 ALA 85 2HB ALA 85 6.886 3.505 -3.807 640 H LYS 86 H LYS 86 7.336 4.366 -6.224 641 HA LYS 86 HA LYS 86 7.379 2.018 -7.844 642 HB2 LYS 86 2HB LYS 86 6.045 3.253 -9.500 643 HB3 LYS 86 3HB LYS 86 5.387 3.406 -7.881 644 HG2 LYS 86 2HG LYS 86 6.108 5.671 -7.687 645 HG3 LYS 86 3HG LYS 86 7.118 5.553 -9.127 646 HD2 LYS 86 2HD LYS 86 4.078 5.362 -9.110 647 HD3 LYS 86 3HD LYS 86 4.997 6.813 -9.515 648 HE2 LYS 86 2HE LYS 86 6.067 5.538 -11.401 649 HE3 LYS 86 3HE LYS 86 4.993 4.184 -11.041 650 HZ1 LYS 86 3HZ LYS 86 4.082 6.909 -11.761 651 HZ2 LYS 86 1HZ LYS 86 3.115 5.539 -11.558 652 HZ3 LYS 86 2HZ LYS 86 4.207 5.619 -12.847 653 H LEU 87 H LEU 87 9.097 5.162 -8.117 654 HA LEU 87 HA LEU 87 9.951 4.705 -10.802 655 HB2 LEU 87 2HB LEU 87 11.265 6.713 -10.630 656 HB3 LEU 87 3HB LEU 87 9.733 6.970 -9.835 657 HG LEU 87 HG LEU 87 11.114 6.495 -7.617 658 HD11 LEU 87 1HD1 LEU 87 13.361 7.367 -9.465 659 HD12 LEU 87 2HD1 LEU 87 13.229 5.813 -8.637 660 HD13 LEU 87 3HD1 LEU 87 13.447 7.288 -7.702 661 HD21 LEU 87 3HD2 LEU 87 11.609 8.898 -7.389 662 HD22 LEU 87 1HD2 LEU 87 10.026 8.631 -8.119 663 HD23 LEU 87 2HD2 LEU 87 11.390 9.114 -9.128 664 H LYS 88 H LYS 88 11.471 4.066 -7.652 665 HA LYS 88 HA LYS 88 13.931 3.106 -8.775 666 HB2 LYS 88 2HB LYS 88 14.567 2.454 -6.538 667 HB3 LYS 88 3HB LYS 88 13.793 4.021 -6.471 668 HG2 LYS 88 2HG LYS 88 12.972 2.979 -4.573 669 HG3 LYS 88 3HG LYS 88 11.664 2.723 -5.728 670 HD2 LYS 88 2HD LYS 88 12.350 0.412 -6.077 671 HD3 LYS 88 3HD LYS 88 13.820 0.657 -5.130 672 HE2 LYS 88 2HE LYS 88 11.007 0.853 -4.012 673 HE3 LYS 88 3HE LYS 88 12.029 -0.584 -3.909 674 HZ1 LYS 88 3HZ LYS 88 13.679 0.798 -2.726 675 HZ2 LYS 88 1HZ LYS 88 12.222 0.643 -1.892 676 HZ3 LYS 88 2HZ LYS 88 12.579 2.078 -2.711 677 H ALA 89 H ALA 89 10.856 1.606 -7.889 678 HA ALA 89 HA ALA 89 11.708 -1.110 -8.215 679 HB1 ALA 89 3HB ALA 89 9.771 -0.531 -6.825 680 HB2 ALA 89 1HB ALA 89 9.310 -1.661 -8.099 681 HB3 ALA 89 2HB ALA 89 8.905 0.053 -8.246 682 H GLU 90 H GLU 90 10.511 1.360 -10.393 683 HA GLU 90 HA GLU 90 10.266 -0.312 -12.704 684 HB2 GLU 90 2HB GLU 90 10.603 2.691 -12.391 685 HB3 GLU 90 3HB GLU 90 10.418 1.898 -13.957 686 HG2 GLU 90 2HG GLU 90 8.244 0.960 -13.179 687 HG3 GLU 90 3HG GLU 90 8.411 1.880 -11.687 688 H GLY 91 H GLY 91 12.920 1.415 -11.162 689 HA2 GLY 91 2HA GLY 91 14.954 0.988 -13.062 690 HA3 GLY 91 3HA GLY 91 15.185 1.133 -11.325 691 H LEU 92 H LEU 92 13.374 -1.253 -10.866 692 HA LEU 92 HA LEU 92 15.314 -3.343 -10.895 693 HB2 LEU 92 2HB LEU 92 12.312 -3.481 -10.453 694 HB3 LEU 92 3HB LEU 92 13.414 -4.820 -10.175 695 HG LEU 92 HG LEU 92 13.516 -2.181 -8.657 696 HD11 LEU 92 1HD1 LEU 92 12.515 -3.399 -6.772 697 HD12 LEU 92 2HD1 LEU 92 12.321 -4.831 -7.787 698 HD13 LEU 92 3HD1 LEU 92 11.430 -3.353 -8.161 699 HD21 LEU 92 3HD2 LEU 92 15.693 -3.315 -8.704 700 HD22 LEU 92 1HD2 LEU 92 14.949 -4.817 -8.143 701 HD23 LEU 92 2HD2 LEU 92 14.992 -3.400 -7.091 702 H GLU 93 H GLU 93 12.175 -3.029 -12.726 703 HA GLU 93 HA GLU 93 13.240 -4.577 -14.940 704 HB2 GLU 93 2HB GLU 93 11.650 -6.490 -14.683 705 HB3 GLU 93 3HB GLU 93 12.841 -6.402 -13.391 706 HG2 GLU 93 2HG GLU 93 11.196 -5.466 -11.856 707 HG3 GLU 93 3HG GLU 93 9.995 -5.381 -13.149 708 H HIS 94 H HIS 94 11.766 -1.953 -14.622 709 HA HIS 94 HA HIS 94 9.363 -2.309 -16.214 710 HB2 HIS 94 2HB HIS 94 9.653 -0.263 -14.860 711 HB3 HIS 94 3HB HIS 94 11.071 0.186 -15.798 712 HD1 HIS 94 HD1 HIS 94 7.332 -0.314 -16.301 713 HD2 HIS 94 HD2 HIS 94 10.495 1.790 -17.968 714 HE1 HIS 94 HE1 HIS 94 6.296 1.236 -17.972 715 HE2 HIS 94 HE2 HIS 94 8.248 2.322 -19.123 716 H HIS 95 H HIS 95 12.759 -2.246 -16.808 717 HA HIS 95 HA HIS 95 12.794 -1.719 -19.604 718 HB2 HIS 95 2HB HIS 95 14.815 -1.564 -18.157 719 HB3 HIS 95 3HB HIS 95 14.765 -3.301 -17.890 720 HD1 HIS 95 HD1 HIS 95 15.627 -4.824 -19.786 721 HD2 HIS 95 HD2 HIS 95 15.823 -0.773 -20.685 722 HE1 HIS 95 HE1 HIS 95 17.084 -4.657 -21.822 723 HE2 HIS 95 HE2 HIS 95 17.093 -2.210 -22.409 724 H HIS 96 H HIS 96 10.955 -2.944 -20.290 725 HA HIS 96 HA HIS 96 10.746 -5.778 -20.035 726 HB2 HIS 96 2HB HIS 96 8.937 -5.537 -21.781 727 HB3 HIS 96 3HB HIS 96 8.722 -4.511 -20.374 728 HD1 HIS 96 HD1 HIS 96 8.654 -1.981 -20.756 729 HD2 HIS 96 HD2 HIS 96 9.629 -4.094 -24.197 730 HE1 HIS 96 HE1 HIS 96 8.448 -0.339 -22.643 731 HE2 HIS 96 HE2 HIS 96 9.157 -1.606 -24.692 732 H HIS 97 H HIS 97 11.638 -7.351 -21.266 733 HA HIS 97 HA HIS 97 13.629 -6.748 -23.218 734 HB2 HIS 97 2HB HIS 97 13.846 -8.729 -21.794 735 HB3 HIS 97 3HB HIS 97 12.365 -9.412 -22.451 736 HD1 HIS 97 HD1 HIS 97 12.524 -10.659 -24.652 737 HD2 HIS 97 HD2 HIS 97 16.091 -8.799 -23.602 738 HE1 HIS 97 HE1 HIS 97 14.243 -11.549 -26.249 739 HE2 HIS 97 HE2 HIS 97 16.358 -10.309 -25.684 740 H HIS 98 H HIS 98 13.072 -5.924 -25.127 741 HA HIS 98 HA HIS 98 10.500 -5.948 -26.222 742 HB2 HIS 98 2HB HIS 98 11.472 -4.830 -28.190 743 HB3 HIS 98 3HB HIS 98 12.098 -4.149 -26.695 744 HD1 HIS 98 HD1 HIS 98 13.135 -5.750 -29.847 745 HD2 HIS 98 HD2 HIS 98 14.889 -4.778 -26.205 746 HE1 HIS 98 HE1 HIS 98 15.608 -5.923 -30.225 747 HE2 HIS 98 HE2 HIS 98 16.652 -5.388 -27.997 748 H HIS 99 H HIS 99 9.431 -7.256 -27.581 749 HA HIS 99 HA HIS 99 10.631 -9.798 -28.399 750 HB2 HIS 99 2HB HIS 99 7.736 -8.823 -28.574 751 HB3 HIS 99 3HB HIS 99 8.284 -10.450 -28.957 752 HD1 HIS 99 HD1 HIS 99 8.497 -12.081 -27.033 753 HD2 HIS 99 HD2 HIS 99 7.818 -8.187 -25.755 754 HE1 HIS 99 HE1 HIS 99 7.989 -12.253 -24.578 755 HE2 HIS 99 HE2 HIS 99 7.627 -9.879 -23.816 Start of MODEL 9 1 H1 GLU 1 1H GLU 1 -13.767 -4.301 21.064 2 H2 GLU 1 2H GLU 1 -15.218 -3.580 20.595 3 H3 GLU 1 3H GLU 1 -14.072 -2.698 21.472 4 HA GLU 1 HA GLU 1 -14.117 -2.094 19.139 5 HB2 GLU 1 2HB GLU 1 -11.681 -2.220 18.727 6 HB3 GLU 1 3HB GLU 1 -12.017 -1.787 20.394 7 HG2 GLU 1 2HG GLU 1 -11.283 -4.596 19.507 8 HG3 GLU 1 3HG GLU 1 -10.104 -3.398 20.030 9 H ASP 2 H ASP 2 -13.129 -2.749 16.982 10 HA ASP 2 HA ASP 2 -13.553 -5.565 16.248 11 HB2 ASP 2 2HB ASP 2 -15.135 -3.206 15.129 12 HB3 ASP 2 3HB ASP 2 -14.944 -4.695 14.213 13 HA PRO 3 HA PRO 3 -10.276 -4.477 13.290 14 HB2 PRO 3 2HB PRO 3 -10.241 -6.668 11.731 15 HB3 PRO 3 3HB PRO 3 -9.800 -6.779 13.445 16 HG2 PRO 3 2HG PRO 3 -12.437 -7.426 12.127 17 HG3 PRO 3 3HG PRO 3 -11.516 -8.393 13.295 18 HD2 PRO 3 2HD PRO 3 -13.623 -6.774 14.008 19 HD3 PRO 3 3HD PRO 3 -12.278 -7.157 15.108 20 H GLU 4 H GLU 4 -13.534 -4.369 12.616 21 HA GLU 4 HA GLU 4 -13.647 -4.032 9.805 22 HB2 GLU 4 2HB GLU 4 -15.413 -2.814 11.968 23 HB3 GLU 4 3HB GLU 4 -15.808 -2.882 10.252 24 HG2 GLU 4 2HG GLU 4 -15.878 -5.356 10.359 25 HG3 GLU 4 3HG GLU 4 -15.451 -5.287 12.072 26 H ASP 5 H ASP 5 -12.686 -1.957 12.430 27 HA ASP 5 HA ASP 5 -12.693 0.563 11.208 28 HB2 ASP 5 2HB ASP 5 -12.377 0.230 13.637 29 HB3 ASP 5 3HB ASP 5 -10.845 -0.578 13.345 30 HA PRO 6 HA PRO 6 -9.681 0.093 7.964 31 HB2 PRO 6 2HB PRO 6 -8.761 2.703 7.714 32 HB3 PRO 6 3HB PRO 6 -10.310 2.128 7.076 33 HG2 PRO 6 2HG PRO 6 -9.755 3.536 9.692 34 HG3 PRO 6 3HG PRO 6 -11.025 3.875 8.489 35 HD2 PRO 6 2HD PRO 6 -11.597 2.482 10.689 36 HD3 PRO 6 3HD PRO 6 -12.296 1.994 9.128 37 H PHE 7 H PHE 7 -8.444 2.257 10.569 38 HA PHE 7 HA PHE 7 -5.716 1.739 10.113 39 HB2 PHE 7 2HB PHE 7 -6.768 3.713 11.351 40 HB3 PHE 7 3HB PHE 7 -6.937 2.656 12.738 41 HD1 PHE 7 HD2 PHE 7 -4.908 1.930 14.013 42 HD2 PHE 7 HD1 PHE 7 -4.589 4.584 10.668 43 HE1 PHE 7 HE2 PHE 7 -2.623 2.527 14.691 44 HE2 PHE 7 HE1 PHE 7 -2.299 5.168 11.363 45 HZ PHE 7 HZ PHE 7 -1.319 4.141 13.374 46 H THR 8 H THR 8 -8.123 0.108 12.113 47 HA THR 8 HA THR 8 -6.336 -1.376 13.743 48 HB THR 8 HB THR 8 -9.260 -1.933 13.064 49 HG1 THR 8 HG1 THR 8 -8.715 0.053 14.202 50 HG21 THR 8 3HG2 THR 8 -8.190 -4.006 13.889 51 HG22 THR 8 1HG2 THR 8 -9.291 -3.354 15.106 52 HG23 THR 8 2HG2 THR 8 -7.546 -3.136 15.283 53 H ARG 9 H ARG 9 -8.133 -2.269 10.735 54 HA ARG 9 HA ARG 9 -6.953 -4.908 10.602 55 HB2 ARG 9 2HB ARG 9 -8.130 -5.182 8.503 56 HB3 ARG 9 3HB ARG 9 -9.196 -4.433 9.681 57 HG2 ARG 9 2HG ARG 9 -8.243 -2.205 8.446 58 HG3 ARG 9 3HG ARG 9 -8.128 -3.355 7.116 59 HD2 ARG 9 2HD ARG 9 -10.609 -2.552 8.667 60 HD3 ARG 9 3HD ARG 9 -10.257 -2.241 6.962 61 HE ARG 9 HE ARG 9 -10.273 -5.016 7.338 62 HH11 ARG 9 1HH1 ARG 9 -12.582 -2.352 7.436 63 HH12 ARG 9 2HH1 ARG 9 -13.937 -3.381 7.088 64 HH21 ARG 9 1HH2 ARG 9 -12.075 -6.313 6.934 65 HH22 ARG 9 2HH2 ARG 9 -13.649 -5.603 6.815 66 H TYR 10 H TYR 10 -6.161 -1.766 9.406 67 HA TYR 10 HA TYR 10 -4.151 -2.369 7.506 68 HB2 TYR 10 2HB TYR 10 -5.183 -0.177 7.634 69 HB3 TYR 10 3HB TYR 10 -4.678 0.031 9.299 70 HD1 TYR 10 HD2 TYR 10 -3.086 -0.559 5.918 71 HD2 TYR 10 HD1 TYR 10 -2.905 1.499 9.663 72 HE1 TYR 10 HE2 TYR 10 -1.115 0.695 5.152 73 HE2 TYR 10 HE1 TYR 10 -0.945 2.744 8.886 74 HH TYR 10 HH TYR 10 0.008 2.831 5.661 75 H ALA 11 H ALA 11 -4.020 -1.692 10.992 76 HA ALA 11 HA ALA 11 -1.208 -2.079 11.329 77 HB1 ALA 11 3HB ALA 11 -3.446 -2.120 13.390 78 HB2 ALA 11 1HB ALA 11 -2.535 -0.696 12.872 79 HB3 ALA 11 2HB ALA 11 -1.720 -1.996 13.739 80 H LEU 12 H LEU 12 -4.065 -4.097 11.624 81 HA LEU 12 HA LEU 12 -2.955 -6.410 12.817 82 HB2 LEU 12 2HB LEU 12 -5.380 -5.955 12.712 83 HB3 LEU 12 3HB LEU 12 -5.350 -6.086 10.963 84 HG LEU 12 HG LEU 12 -4.725 -8.517 11.206 85 HD11 LEU 12 1HD1 LEU 12 -5.039 -9.637 13.379 86 HD12 LEU 12 2HD1 LEU 12 -5.254 -8.070 14.161 87 HD13 LEU 12 3HD1 LEU 12 -3.705 -8.486 13.426 88 HD21 LEU 12 3HD2 LEU 12 -6.971 -9.301 11.854 89 HD22 LEU 12 1HD2 LEU 12 -7.057 -7.897 10.790 90 HD23 LEU 12 2HD2 LEU 12 -7.340 -7.710 12.523 91 H ALA 13 H ALA 13 -3.273 -5.299 9.499 92 HA ALA 13 HA ALA 13 -2.373 -7.601 8.140 93 HB1 ALA 13 3HB ALA 13 -2.237 -4.690 7.283 94 HB2 ALA 13 1HB ALA 13 -3.596 -5.784 7.024 95 HB3 ALA 13 2HB ALA 13 -2.055 -6.088 6.223 96 H GLN 14 H GLN 14 -0.660 -4.747 9.399 97 HA GLN 14 HA GLN 14 1.960 -5.456 8.595 98 HB2 GLN 14 2HB GLN 14 1.124 -3.813 11.022 99 HB3 GLN 14 3HB GLN 14 2.715 -3.800 10.257 100 HG2 GLN 14 2HG GLN 14 1.757 -2.829 8.220 101 HG3 GLN 14 3HG GLN 14 0.139 -2.925 8.907 102 HE21 GLN 14 1HE2 GLN 14 -0.268 -0.726 8.799 103 HE22 GLN 14 2HE2 GLN 14 0.565 0.435 9.771 104 H GLU 15 H GLU 15 0.065 -6.321 11.475 105 HA GLU 15 HA GLU 15 2.093 -7.766 12.836 106 HB2 GLU 15 2HB GLU 15 -0.919 -8.229 12.965 107 HB3 GLU 15 3HB GLU 15 0.267 -8.826 14.122 108 HG2 GLU 15 2HG GLU 15 -0.559 -5.953 13.640 109 HG3 GLU 15 3HG GLU 15 -0.850 -6.927 15.079 110 H HIS 16 H HIS 16 -0.317 -8.696 10.424 111 HA HIS 16 HA HIS 16 0.296 -11.438 10.259 112 HB2 HIS 16 2HB HIS 16 -0.846 -9.549 8.169 113 HB3 HIS 16 3HB HIS 16 -0.724 -11.292 7.934 114 HD1 HIS 16 HD1 HIS 16 -1.652 -12.125 10.833 115 HD2 HIS 16 HD2 HIS 16 -3.606 -9.417 8.366 116 HE1 HIS 16 HE1 HIS 16 -4.016 -12.074 11.635 117 HE2 HIS 16 HE2 HIS 16 -5.197 -10.476 10.096 118 H LEU 17 H LEU 17 1.728 -8.634 8.556 119 HA LEU 17 HA LEU 17 3.381 -9.974 6.769 120 HB2 LEU 17 2HB LEU 17 3.670 -7.291 8.140 121 HB3 LEU 17 3HB LEU 17 4.820 -7.840 6.931 122 HG LEU 17 HG LEU 17 1.848 -7.374 6.451 123 HD11 LEU 17 1HD1 LEU 17 2.543 -5.491 5.053 124 HD12 LEU 17 2HD1 LEU 17 4.231 -5.774 5.482 125 HD13 LEU 17 3HD1 LEU 17 3.080 -5.264 6.720 126 HD21 LEU 17 3HD2 LEU 17 2.384 -7.785 4.075 127 HD22 LEU 17 1HD2 LEU 17 2.662 -9.215 5.066 128 HD23 LEU 17 2HD2 LEU 17 4.029 -8.237 4.522 129 H LYS 18 H LYS 18 4.127 -8.902 10.098 130 HA LYS 18 HA LYS 18 6.797 -9.953 10.104 131 HB2 LYS 18 2HB LYS 18 6.863 -9.302 12.453 132 HB3 LYS 18 3HB LYS 18 6.093 -8.031 11.512 133 HG2 LYS 18 2HG LYS 18 3.862 -8.940 12.252 134 HG3 LYS 18 3HG LYS 18 4.727 -10.043 13.321 135 HD2 LYS 18 2HD LYS 18 3.957 -8.115 14.593 136 HD3 LYS 18 3HD LYS 18 5.720 -8.092 14.506 137 HE2 LYS 18 2HE LYS 18 5.668 -6.340 12.829 138 HE3 LYS 18 3HE LYS 18 3.913 -6.463 12.683 139 HZ1 LYS 18 3HZ LYS 18 5.343 -5.642 15.148 140 HZ2 LYS 18 1HZ LYS 18 3.665 -5.649 14.902 141 HZ3 LYS 18 2HZ LYS 18 4.649 -4.576 14.039 142 H HIS 19 H HIS 19 3.668 -11.324 10.793 143 HA HIS 19 HA HIS 19 4.798 -13.818 11.860 144 HB2 HIS 19 2HB HIS 19 1.980 -12.767 11.527 145 HB3 HIS 19 3HB HIS 19 2.249 -14.487 11.778 146 HD1 HIS 19 HD1 HIS 19 3.169 -15.223 14.097 147 HD2 HIS 19 HD2 HIS 19 2.315 -11.168 13.829 148 HE1 HIS 19 HE1 HIS 19 3.120 -14.391 16.462 149 HE2 HIS 19 HE2 HIS 19 2.784 -11.912 16.251 150 H ASP 20 H ASP 20 4.881 -12.658 8.922 151 HA ASP 20 HA ASP 20 5.392 -13.546 6.923 152 HB2 ASP 20 2HB ASP 20 6.459 -15.389 8.258 153 HB3 ASP 20 3HB ASP 20 4.960 -16.299 8.144 154 H ASN 21 H ASN 21 2.393 -13.691 8.231 155 HA ASN 21 HA ASN 21 0.881 -15.029 6.172 156 HB2 ASN 21 2HB ASN 21 -0.080 -13.098 8.331 157 HB3 ASN 21 3HB ASN 21 -1.096 -14.172 7.387 158 HD21 ASN 21 1HD2 ASN 21 0.551 -16.503 7.589 159 HD22 ASN 21 2HD2 ASN 21 0.467 -17.044 9.224 160 H ALA 22 H ALA 22 2.254 -13.605 4.590 161 HA ALA 22 HA ALA 22 1.693 -10.863 4.195 162 HB1 ALA 22 3HB ALA 22 2.867 -11.168 2.047 163 HB2 ALA 22 1HB ALA 22 2.810 -12.921 2.260 164 HB3 ALA 22 2HB ALA 22 3.747 -11.924 3.374 165 H SER 23 H SER 23 0.307 -13.843 2.920 166 HA SER 23 HA SER 23 -1.477 -12.893 1.010 167 HB2 SER 23 2HB SER 23 -2.752 -15.033 1.525 168 HB3 SER 23 3HB SER 23 -1.027 -15.269 1.249 169 HG SER 23 HG SER 23 -2.261 -16.171 3.263 170 H ARG 24 H ARG 24 -2.078 -13.445 4.534 171 HA ARG 24 HA ARG 24 -4.728 -12.539 4.640 172 HB2 ARG 24 2HB ARG 24 -2.547 -12.527 6.777 173 HB3 ARG 24 3HB ARG 24 -4.255 -12.265 7.109 174 HG2 ARG 24 2HG ARG 24 -3.160 -14.810 5.878 175 HG3 ARG 24 3HG ARG 24 -3.383 -14.577 7.614 176 HD2 ARG 24 2HD ARG 24 -5.802 -14.210 7.248 177 HD3 ARG 24 3HD ARG 24 -5.579 -14.475 5.514 178 HE ARG 24 HE ARG 24 -4.561 -16.742 6.579 179 HH11 ARG 24 1HH1 ARG 24 -7.654 -15.145 7.077 180 HH12 ARG 24 2HH1 ARG 24 -8.489 -16.624 7.422 181 HH21 ARG 24 1HH2 ARG 24 -5.695 -18.674 7.024 182 HH22 ARG 24 2HH2 ARG 24 -7.391 -18.612 7.399 183 H ALA 25 H ALA 25 -1.644 -10.877 5.077 184 HA ALA 25 HA ALA 25 -2.574 -8.314 5.804 185 HB1 ALA 25 3HB ALA 25 -0.295 -7.588 5.246 186 HB2 ALA 25 1HB ALA 25 0.005 -9.128 4.427 187 HB3 ALA 25 2HB ALA 25 -0.267 -9.090 6.172 188 H LEU 26 H LEU 26 -1.952 -9.865 2.710 189 HA LEU 26 HA LEU 26 -1.954 -7.575 1.046 190 HB2 LEU 26 2HB LEU 26 -1.007 -9.862 0.467 191 HB3 LEU 26 3HB LEU 26 -2.653 -10.428 0.248 192 HG LEU 26 HG LEU 26 -2.934 -8.744 -1.614 193 HD11 LEU 26 1HD1 LEU 26 -0.945 -7.665 -2.572 194 HD12 LEU 26 2HD1 LEU 26 0.043 -8.279 -1.249 195 HD13 LEU 26 3HD1 LEU 26 -1.236 -7.108 -0.926 196 HD21 LEU 26 3HD2 LEU 26 -2.350 -11.086 -2.138 197 HD22 LEU 26 1HD2 LEU 26 -0.633 -10.696 -1.994 198 HD23 LEU 26 2HD2 LEU 26 -1.600 -9.971 -3.281 199 H ALA 27 H ALA 27 -4.400 -10.056 1.704 200 HA ALA 27 HA ALA 27 -6.567 -9.046 0.308 201 HB1 ALA 27 3HB ALA 27 -6.624 -10.580 2.929 202 HB2 ALA 27 1HB ALA 27 -6.485 -11.292 1.321 203 HB3 ALA 27 2HB ALA 27 -7.958 -10.436 1.780 204 H LEU 28 H LEU 28 -5.554 -8.277 3.663 205 HA LEU 28 HA LEU 28 -7.723 -6.595 4.317 206 HB2 LEU 28 2HB LEU 28 -4.894 -6.715 5.403 207 HB3 LEU 28 3HB LEU 28 -6.106 -5.625 6.060 208 HG LEU 28 HG LEU 28 -6.317 -8.671 6.041 209 HD11 LEU 28 1HD1 LEU 28 -5.826 -6.789 8.365 210 HD12 LEU 28 2HD1 LEU 28 -4.631 -7.867 7.641 211 HD13 LEU 28 3HD1 LEU 28 -6.035 -8.539 8.472 212 HD21 LEU 28 3HD2 LEU 28 -8.319 -8.359 7.446 213 HD22 LEU 28 1HD2 LEU 28 -8.538 -7.622 5.859 214 HD23 LEU 28 2HD2 LEU 28 -8.190 -6.607 7.263 215 H PHE 29 H PHE 29 -4.516 -5.769 2.937 216 HA PHE 29 HA PHE 29 -4.932 -2.959 2.909 217 HB2 PHE 29 2HB PHE 29 -3.023 -4.684 1.294 218 HB3 PHE 29 3HB PHE 29 -3.011 -2.928 1.266 219 HD1 PHE 29 HD1 PHE 29 -3.267 -2.243 4.159 220 HD2 PHE 29 HD2 PHE 29 -0.965 -5.301 2.247 221 HE1 PHE 29 HE1 PHE 29 -1.627 -2.183 6.000 222 HE2 PHE 29 HE2 PHE 29 0.656 -5.238 4.099 223 HZ PHE 29 HZ PHE 29 0.330 -3.683 5.974 224 H GLU 30 H GLU 30 -5.309 -5.449 0.370 225 HA GLU 30 HA GLU 30 -6.148 -3.861 -1.762 226 HB2 GLU 30 2HB GLU 30 -6.958 -6.712 -1.065 227 HB3 GLU 30 3HB GLU 30 -7.286 -5.944 -2.615 228 HG2 GLU 30 2HG GLU 30 -4.874 -5.751 -3.057 229 HG3 GLU 30 3HG GLU 30 -4.514 -6.450 -1.483 230 H GLU 31 H GLU 31 -8.026 -5.295 0.881 231 HA GLU 31 HA GLU 31 -10.585 -4.512 -0.061 232 HB2 GLU 31 2HB GLU 31 -10.294 -6.364 1.523 233 HB3 GLU 31 3HB GLU 31 -9.685 -5.260 2.752 234 HG2 GLU 31 2HG GLU 31 -11.837 -4.187 2.965 235 HG3 GLU 31 3HG GLU 31 -12.462 -5.041 1.552 236 H LEU 32 H LEU 32 -8.189 -2.998 2.031 237 HA LEU 32 HA LEU 32 -9.707 -0.826 2.968 238 HB2 LEU 32 2HB LEU 32 -6.745 -1.270 2.609 239 HB3 LEU 32 3HB LEU 32 -7.347 0.279 3.176 240 HG LEU 32 HG LEU 32 -7.955 -2.345 4.593 241 HD11 LEU 32 1HD1 LEU 32 -6.239 -1.731 6.241 242 HD12 LEU 32 2HD1 LEU 32 -5.787 -0.337 5.257 243 HD13 LEU 32 3HD1 LEU 32 -5.530 -1.970 4.641 244 HD21 LEU 32 3HD2 LEU 32 -8.254 0.549 5.467 245 HD22 LEU 32 1HD2 LEU 32 -8.591 -0.872 6.460 246 HD23 LEU 32 2HD2 LEU 32 -9.567 -0.548 5.031 247 H VAL 33 H VAL 33 -7.824 -1.228 -0.018 248 HA VAL 33 HA VAL 33 -8.029 1.472 -0.889 249 HB VAL 33 HB VAL 33 -7.385 -1.106 -2.378 250 HG11 VAL 33 1HG1 VAL 33 -7.207 1.717 -3.499 251 HG12 VAL 33 2HG1 VAL 33 -8.316 0.454 -4.033 252 HG13 VAL 33 3HG1 VAL 33 -6.583 0.259 -4.283 253 HG21 VAL 33 3HG2 VAL 33 -5.711 -0.404 -0.727 254 HG22 VAL 33 1HG2 VAL 33 -5.619 1.196 -1.465 255 HG23 VAL 33 2HG2 VAL 33 -5.065 -0.224 -2.358 256 H GLU 34 H GLU 34 -9.882 -1.472 -1.809 257 HA GLU 34 HA GLU 34 -11.561 -0.187 -3.676 258 HB2 GLU 34 2HB GLU 34 -12.920 -2.231 -3.630 259 HB3 GLU 34 3HB GLU 34 -11.200 -2.599 -3.703 260 HG2 GLU 34 2HG GLU 34 -11.270 -2.975 -1.208 261 HG3 GLU 34 3HG GLU 34 -13.023 -2.816 -1.297 262 H THR 35 H THR 35 -11.936 -0.593 -0.150 263 HA THR 35 HA THR 35 -14.653 0.488 -0.180 264 HB THR 35 HB THR 35 -14.576 0.163 2.290 265 HG1 THR 35 HG1 THR 35 -12.364 0.469 2.683 266 HG21 THR 35 3HG2 THR 35 -14.471 -2.289 2.314 267 HG22 THR 35 1HG2 THR 35 -13.649 -2.278 0.748 268 HG23 THR 35 2HG2 THR 35 -15.314 -1.707 0.877 269 H ASP 36 H ASP 36 -11.384 1.541 0.501 270 HA ASP 36 HA ASP 36 -12.297 4.324 0.939 271 HB2 ASP 36 2HB ASP 36 -10.116 2.962 2.578 272 HB3 ASP 36 3HB ASP 36 -10.572 4.660 2.689 273 HA PRO 37 HA PRO 37 -9.069 4.056 -2.476 274 HB2 PRO 37 2HB PRO 37 -10.787 6.303 -3.500 275 HB3 PRO 37 3HB PRO 37 -10.124 4.914 -4.372 276 HG2 PRO 37 2HG PRO 37 -12.723 4.991 -3.749 277 HG3 PRO 37 3HG PRO 37 -11.811 3.468 -3.612 278 HD2 PRO 37 2HD PRO 37 -12.593 5.408 -1.427 279 HD3 PRO 37 3HD PRO 37 -12.703 3.632 -1.442 280 H ASP 38 H ASP 38 -10.202 6.386 -0.260 281 HA ASP 38 HA ASP 38 -8.271 8.484 -0.944 282 HB2 ASP 38 2HB ASP 38 -9.539 9.864 0.618 283 HB3 ASP 38 3HB ASP 38 -10.651 9.069 -0.483 284 H TYR 39 H TYR 39 -7.591 5.759 0.476 285 HA TYR 39 HA TYR 39 -6.538 6.828 3.034 286 HB2 TYR 39 2HB TYR 39 -8.235 4.817 3.052 287 HB3 TYR 39 3HB TYR 39 -6.886 3.855 2.455 288 HD1 TYR 39 HD2 TYR 39 -4.864 3.498 3.928 289 HD2 TYR 39 HD1 TYR 39 -8.299 5.572 5.388 290 HE1 TYR 39 HE2 TYR 39 -4.043 3.219 6.222 291 HE2 TYR 39 HE1 TYR 39 -7.474 5.302 7.685 292 HH TYR 39 HH TYR 39 -6.011 3.994 8.984 293 H VAL 40 H VAL 40 -4.625 7.646 2.228 294 HA VAL 40 HA VAL 40 -3.103 6.553 0.107 295 HB VAL 40 HB VAL 40 -2.175 8.520 2.255 296 HG11 VAL 40 1HG1 VAL 40 -0.606 9.343 0.501 297 HG12 VAL 40 2HG1 VAL 40 -1.131 8.035 -0.561 298 HG13 VAL 40 3HG1 VAL 40 -0.295 7.663 0.947 299 HG21 VAL 40 3HG2 VAL 40 -4.255 9.303 1.200 300 HG22 VAL 40 1HG2 VAL 40 -3.533 9.105 -0.397 301 HG23 VAL 40 2HG2 VAL 40 -2.893 10.314 0.717 302 H GLY 41 H GLY 41 -2.854 6.187 3.629 303 HA2 GLY 41 2HA GLY 41 -0.209 5.263 3.880 304 HA3 GLY 41 3HA GLY 41 -1.516 4.939 5.007 305 H THR 42 H THR 42 -3.204 3.511 3.211 306 HA THR 42 HA THR 42 -2.209 0.888 3.353 307 HB THR 42 HB THR 42 -4.568 2.052 1.820 308 HG1 THR 42 HG1 THR 42 -5.707 1.316 3.566 309 HG21 THR 42 3HG2 THR 42 -3.870 -0.868 2.287 310 HG22 THR 42 1HG2 THR 42 -3.861 -0.046 0.724 311 HG23 THR 42 2HG2 THR 42 -5.378 -0.264 1.595 312 H TYR 43 H TYR 43 -2.402 3.195 0.604 313 HA TYR 43 HA TYR 43 -1.787 1.419 -1.463 314 HB2 TYR 43 2HB TYR 43 -1.346 4.407 -1.220 315 HB3 TYR 43 3HB TYR 43 -0.920 3.523 -2.683 316 HD1 TYR 43 HD2 TYR 43 -2.676 2.573 -4.144 317 HD2 TYR 43 HD1 TYR 43 -3.733 4.773 -0.637 318 HE1 TYR 43 HE2 TYR 43 -4.971 2.802 -4.975 319 HE2 TYR 43 HE1 TYR 43 -6.032 4.985 -1.480 320 HH TYR 43 HH TYR 43 -7.201 4.931 -3.639 321 H TYR 44 H TYR 44 0.457 3.473 0.445 322 HA TYR 44 HA TYR 44 2.858 2.662 -0.590 323 HB2 TYR 44 2HB TYR 44 2.530 4.438 1.162 324 HB3 TYR 44 3HB TYR 44 2.337 3.170 2.373 325 HD1 TYR 44 HD1 TYR 44 4.761 4.455 -0.202 326 HD2 TYR 44 HD2 TYR 44 4.303 2.304 3.467 327 HE1 TYR 44 HE1 TYR 44 7.202 4.358 0.056 328 HE2 TYR 44 HE2 TYR 44 6.739 2.223 3.731 329 HH TYR 44 HH TYR 44 8.852 4.104 1.892 330 H HIS 45 H HIS 45 1.359 1.205 2.320 331 HA HIS 45 HA HIS 45 3.258 -0.869 2.595 332 HB2 HIS 45 2HB HIS 45 0.496 -0.509 3.799 333 HB3 HIS 45 3HB HIS 45 1.508 -1.896 4.195 334 HD1 HIS 45 HD1 HIS 45 2.778 -1.557 6.292 335 HD2 HIS 45 HD2 HIS 45 2.157 2.030 4.280 336 HE1 HIS 45 HE1 HIS 45 3.803 0.226 7.732 337 HE2 HIS 45 HE2 HIS 45 3.329 2.375 6.548 338 H LEU 46 H LEU 46 0.338 -0.757 0.728 339 HA LEU 46 HA LEU 46 0.045 -3.571 0.268 340 HB2 LEU 46 2HB LEU 46 -1.872 -2.067 0.082 341 HB3 LEU 46 3HB LEU 46 -1.081 -1.154 -1.192 342 HG LEU 46 HG LEU 46 -1.294 -3.050 -2.746 343 HD11 LEU 46 1HD1 LEU 46 -1.065 -4.918 -1.142 344 HD12 LEU 46 2HD1 LEU 46 -2.473 -5.109 -2.181 345 HD13 LEU 46 3HD1 LEU 46 -2.677 -4.572 -0.516 346 HD21 LEU 46 3HD2 LEU 46 -3.176 -1.484 -2.640 347 HD22 LEU 46 1HD2 LEU 46 -3.926 -2.447 -1.362 348 HD23 LEU 46 2HD2 LEU 46 -3.741 -3.118 -2.986 349 H GLY 47 H GLY 47 1.533 -0.839 -1.478 350 HA2 GLY 47 2HA GLY 47 2.289 -2.305 -3.804 351 HA3 GLY 47 3HA GLY 47 2.873 -0.725 -3.307 352 H LYS 48 H LYS 48 3.966 -1.335 -0.832 353 HA LYS 48 HA LYS 48 6.539 -2.299 -1.390 354 HB2 LYS 48 2HB LYS 48 5.096 -2.002 1.278 355 HB3 LYS 48 3HB LYS 48 6.821 -2.316 1.126 356 HG2 LYS 48 2HG LYS 48 5.466 0.153 -0.011 357 HG3 LYS 48 3HG LYS 48 6.178 0.094 1.603 358 HD2 LYS 48 2HD LYS 48 7.711 -0.402 -0.991 359 HD3 LYS 48 3HD LYS 48 7.674 1.133 -0.122 360 HE2 LYS 48 2HE LYS 48 8.778 -1.486 0.958 361 HE3 LYS 48 3HE LYS 48 9.732 -0.115 0.388 362 HZ1 LYS 48 3HZ LYS 48 9.577 -0.135 2.786 363 HZ2 LYS 48 1HZ LYS 48 7.892 -0.104 2.719 364 HZ3 LYS 48 2HZ LYS 48 8.785 1.225 2.174 365 H LEU 49 H LEU 49 3.693 -3.843 0.018 366 HA LEU 49 HA LEU 49 4.803 -6.366 0.616 367 HB2 LEU 49 2HB LEU 49 2.726 -5.593 1.587 368 HB3 LEU 49 3HB LEU 49 1.960 -5.488 0.014 369 HG LEU 49 HG LEU 49 1.789 -7.887 -0.170 370 HD11 LEU 49 1HD1 LEU 49 3.961 -8.594 0.670 371 HD12 LEU 49 2HD1 LEU 49 2.690 -9.439 1.549 372 HD13 LEU 49 3HD1 LEU 49 3.535 -8.087 2.304 373 HD21 LEU 49 3HD2 LEU 49 1.110 -7.063 2.676 374 HD22 LEU 49 1HD2 LEU 49 0.449 -8.461 1.818 375 HD23 LEU 49 2HD2 LEU 49 0.090 -6.831 1.253 376 H TYR 50 H TYR 50 3.116 -5.153 -2.291 377 HA TYR 50 HA TYR 50 3.185 -7.452 -3.871 378 HB2 TYR 50 2HB TYR 50 3.281 -4.513 -4.607 379 HB3 TYR 50 3HB TYR 50 3.294 -5.761 -5.842 380 HD1 TYR 50 HD1 TYR 50 1.286 -7.709 -4.893 381 HD2 TYR 50 HD2 TYR 50 1.198 -3.432 -4.772 382 HE1 TYR 50 HE1 TYR 50 -1.176 -7.747 -4.994 383 HE2 TYR 50 HE2 TYR 50 -1.246 -3.486 -4.854 384 HH TYR 50 HH TYR 50 -3.040 -4.879 -5.502 385 H GLU 51 H GLU 51 5.644 -4.895 -3.465 386 HA GLU 51 HA GLU 51 7.540 -5.673 -5.356 387 HB2 GLU 51 2HB GLU 51 7.976 -4.399 -2.625 388 HB3 GLU 51 3HB GLU 51 9.203 -4.493 -3.882 389 HG2 GLU 51 2HG GLU 51 7.920 -3.035 -5.320 390 HG3 GLU 51 3HG GLU 51 6.560 -3.063 -4.201 391 H ARG 52 H ARG 52 7.105 -6.777 -2.009 392 HA ARG 52 HA ARG 52 9.394 -8.464 -1.830 393 HB2 ARG 52 2HB ARG 52 6.778 -8.651 -0.280 394 HB3 ARG 52 3HB ARG 52 8.312 -9.377 0.198 395 HG2 ARG 52 2HG ARG 52 9.277 -7.126 0.519 396 HG3 ARG 52 3HG ARG 52 7.769 -6.401 -0.034 397 HD2 ARG 52 2HD ARG 52 7.766 -6.284 2.354 398 HD3 ARG 52 3HD ARG 52 6.605 -7.537 1.903 399 HE ARG 52 HE ARG 52 9.372 -8.174 2.755 400 HH11 ARG 52 1HH1 ARG 52 5.934 -8.770 3.081 401 HH12 ARG 52 2HH1 ARG 52 6.145 -9.983 4.298 402 HH21 ARG 52 1HH2 ARG 52 9.629 -9.746 4.355 403 HH22 ARG 52 2HH2 ARG 52 8.233 -10.532 5.027 404 H LEU 53 H LEU 53 6.069 -8.971 -2.896 405 HA LEU 53 HA LEU 53 6.304 -11.859 -3.157 406 HB2 LEU 53 2HB LEU 53 4.094 -9.891 -3.846 407 HB3 LEU 53 3HB LEU 53 3.939 -11.631 -4.029 408 HG LEU 53 HG LEU 53 4.420 -10.222 -1.372 409 HD11 LEU 53 1HD1 LEU 53 1.833 -11.361 -2.477 410 HD12 LEU 53 2HD1 LEU 53 2.193 -9.654 -2.212 411 HD13 LEU 53 3HD1 LEU 53 2.071 -10.750 -0.838 412 HD21 LEU 53 3HD2 LEU 53 5.303 -12.517 -1.387 413 HD22 LEU 53 1HD2 LEU 53 3.750 -13.130 -1.967 414 HD23 LEU 53 2HD2 LEU 53 3.875 -12.411 -0.361 415 H ASP 54 H ASP 54 7.887 -9.819 -4.952 416 HA ASP 54 HA ASP 54 8.653 -9.586 -7.067 417 HB2 ASP 54 2HB ASP 54 9.001 -12.026 -6.943 418 HB3 ASP 54 3HB ASP 54 7.355 -12.308 -7.477 419 H ARG 55 H ARG 55 5.725 -8.973 -6.354 420 HA ARG 55 HA ARG 55 4.405 -8.829 -8.979 421 HB2 ARG 55 2HB ARG 55 3.340 -8.126 -6.203 422 HB3 ARG 55 3HB ARG 55 2.393 -8.137 -7.687 423 HG2 ARG 55 2HG ARG 55 3.660 -10.538 -6.334 424 HG3 ARG 55 3HG ARG 55 1.942 -10.134 -6.373 425 HD2 ARG 55 2HD ARG 55 3.675 -10.886 -8.747 426 HD3 ARG 55 3HD ARG 55 2.454 -11.914 -7.995 427 HE ARG 55 HE ARG 55 1.508 -9.359 -9.031 428 HH11 ARG 55 1HH1 ARG 55 1.895 -12.790 -9.704 429 HH12 ARG 55 2HH1 ARG 55 0.740 -12.777 -10.999 430 HH21 ARG 55 1HH2 ARG 55 0.014 -9.354 -10.710 431 HH22 ARG 55 2HH2 ARG 55 -0.328 -10.830 -11.565 432 H THR 56 H THR 56 6.526 -7.326 -9.102 433 HA THR 56 HA THR 56 6.564 -4.738 -8.085 434 HB THR 56 HB THR 56 7.745 -5.776 -10.696 435 HG1 THR 56 HG1 THR 56 9.300 -5.401 -8.412 436 HG21 THR 56 3HG2 THR 56 8.513 -3.326 -9.056 437 HG22 THR 56 1HG2 THR 56 7.744 -3.306 -10.643 438 HG23 THR 56 2HG2 THR 56 9.384 -3.934 -10.469 439 H ASP 57 H ASP 57 5.065 -6.001 -11.064 440 HA ASP 57 HA ASP 57 4.393 -3.537 -12.293 441 HB2 ASP 57 2HB ASP 57 4.301 -5.617 -13.566 442 HB3 ASP 57 3HB ASP 57 3.083 -6.274 -12.478 443 H ASP 58 H ASP 58 2.612 -5.639 -10.078 444 HA ASP 58 HA ASP 58 0.237 -4.141 -9.796 445 HB2 ASP 58 2HB ASP 58 1.599 -5.967 -7.765 446 HB3 ASP 58 3HB ASP 58 -0.061 -5.386 -7.646 447 H ALA 59 H ALA 59 3.350 -4.019 -8.086 448 HA ALA 59 HA ALA 59 2.701 -2.260 -5.996 449 HB1 ALA 59 3HB ALA 59 4.767 -3.593 -6.027 450 HB2 ALA 59 1HB ALA 59 5.123 -1.879 -5.794 451 HB3 ALA 59 2HB ALA 59 5.384 -2.631 -7.371 452 H ILE 60 H ILE 60 4.152 -1.577 -9.182 453 HA ILE 60 HA ILE 60 4.500 1.205 -8.938 454 HB ILE 60 HB ILE 60 3.957 -0.278 -11.563 455 HG12 ILE 60 2HG1 ILE 60 5.735 -1.490 -10.408 456 HG13 ILE 60 3HG1 ILE 60 6.413 -0.618 -11.768 457 HG21 ILE 60 1HG2 ILE 60 5.548 2.250 -11.023 458 HG22 ILE 60 2HG2 ILE 60 3.958 2.162 -11.779 459 HG23 ILE 60 3HG2 ILE 60 5.357 1.469 -12.598 460 HD11 ILE 60 3HD1 ILE 60 7.271 1.082 -10.231 461 HD12 ILE 60 1HD1 ILE 60 7.876 -0.529 -9.855 462 HD13 ILE 60 2HD1 ILE 60 6.599 0.183 -8.869 463 H ASP 61 H ASP 61 1.858 -0.773 -10.073 464 HA ASP 61 HA ASP 61 0.154 1.223 -11.131 465 HB2 ASP 61 2HB ASP 61 0.031 -1.189 -11.719 466 HB3 ASP 61 3HB ASP 61 -0.477 -1.569 -10.082 467 H THR 62 H THR 62 0.370 -0.336 -7.939 468 HA THR 62 HA THR 62 -1.921 0.870 -6.760 469 HB THR 62 HB THR 62 0.546 -0.334 -5.425 470 HG1 THR 62 HG1 THR 62 -0.766 -1.711 -6.832 471 HG21 THR 62 3HG2 THR 62 -0.743 1.064 -3.826 472 HG22 THR 62 1HG2 THR 62 -0.875 -0.654 -3.435 473 HG23 THR 62 2HG2 THR 62 -2.208 0.176 -4.242 474 H TYR 63 H TYR 63 1.510 1.734 -6.854 475 HA TYR 63 HA TYR 63 1.354 4.030 -5.190 476 HB2 TYR 63 2HB TYR 63 3.392 3.336 -7.332 477 HB3 TYR 63 3HB TYR 63 3.554 4.685 -6.204 478 HD1 TYR 63 HD1 TYR 63 2.798 3.609 -3.615 479 HD2 TYR 63 HD2 TYR 63 4.977 1.693 -6.750 480 HE1 TYR 63 HE1 TYR 63 3.889 2.148 -1.971 481 HE2 TYR 63 HE2 TYR 63 6.051 0.239 -5.107 482 HH TYR 63 HH TYR 63 6.539 0.130 -2.818 483 H ALA 64 H ALA 64 1.066 3.584 -8.715 484 HA ALA 64 HA ALA 64 0.865 6.246 -9.528 485 HB1 ALA 64 3HB ALA 64 1.138 4.392 -11.097 486 HB2 ALA 64 1HB ALA 64 -0.275 5.360 -11.531 487 HB3 ALA 64 2HB ALA 64 -0.485 3.809 -10.717 488 H GLN 65 H GLN 65 -1.768 4.011 -8.600 489 HA GLN 65 HA GLN 65 -3.897 5.877 -8.670 490 HB2 GLN 65 2HB GLN 65 -3.643 3.118 -8.202 491 HB3 GLN 65 3HB GLN 65 -4.146 3.707 -6.633 492 HG2 GLN 65 2HG GLN 65 -5.724 4.504 -9.070 493 HG3 GLN 65 3HG GLN 65 -5.900 2.878 -8.437 494 HE21 GLN 65 1HE2 GLN 65 -5.564 5.855 -6.501 495 HE22 GLN 65 2HE2 GLN 65 -7.114 5.744 -5.778 496 H GLY 66 H GLY 66 -1.647 4.866 -6.193 497 HA2 GLY 66 2HA GLY 66 -2.594 6.230 -3.965 498 HA3 GLY 66 3HA GLY 66 -0.925 5.753 -4.238 499 H ILE 67 H ILE 67 -0.465 7.349 -6.556 500 HA ILE 67 HA ILE 67 0.426 9.758 -5.388 501 HB ILE 67 HB ILE 67 0.330 8.685 -8.219 502 HG12 ILE 67 2HG1 ILE 67 2.742 9.438 -6.493 503 HG13 ILE 67 3HG1 ILE 67 2.013 7.838 -6.487 504 HG21 ILE 67 1HG2 ILE 67 1.688 10.594 -9.052 505 HG22 ILE 67 2HG2 ILE 67 1.430 11.422 -7.516 506 HG23 ILE 67 3HG2 ILE 67 0.060 11.088 -8.574 507 HD11 ILE 67 3HD1 ILE 67 4.030 7.978 -7.851 508 HD12 ILE 67 1HD1 ILE 67 3.250 9.163 -8.894 509 HD13 ILE 67 2HD1 ILE 67 2.617 7.516 -8.798 510 H GLU 68 H GLU 68 -2.404 8.971 -7.340 511 HA GLU 68 HA GLU 68 -3.411 11.548 -7.869 512 HB2 GLU 68 2HB GLU 68 -5.077 9.054 -7.296 513 HB3 GLU 68 3HB GLU 68 -5.559 10.460 -8.245 514 HG2 GLU 68 2HG GLU 68 -3.853 9.851 -9.959 515 HG3 GLU 68 3HG GLU 68 -3.423 8.437 -8.998 516 H VAL 69 H VAL 69 -3.952 9.306 -5.202 517 HA VAL 69 HA VAL 69 -5.686 11.143 -3.753 518 HB VAL 69 HB VAL 69 -6.110 9.351 -2.197 519 HG11 VAL 69 1HG1 VAL 69 -6.020 8.263 -5.045 520 HG12 VAL 69 2HG1 VAL 69 -7.322 9.220 -4.335 521 HG13 VAL 69 3HG1 VAL 69 -6.994 7.598 -3.732 522 HG21 VAL 69 3HG2 VAL 69 -5.001 7.152 -2.285 523 HG22 VAL 69 1HG2 VAL 69 -3.834 8.425 -1.925 524 HG23 VAL 69 2HG2 VAL 69 -3.913 7.732 -3.546 525 H ALA 70 H ALA 70 -2.315 10.482 -3.835 526 HA ALA 70 HA ALA 70 -1.680 11.003 -1.075 527 HB1 ALA 70 3HB ALA 70 -0.224 9.629 -2.494 528 HB2 ALA 70 1HB ALA 70 0.656 10.987 -1.797 529 HB3 ALA 70 2HB ALA 70 0.155 11.031 -3.493 530 H ARG 71 H ARG 71 -1.527 12.866 -4.086 531 HA ARG 71 HA ARG 71 -0.550 15.285 -2.938 532 HB2 ARG 71 2HB ARG 71 -1.184 16.321 -5.091 533 HB3 ARG 71 3HB ARG 71 -0.341 14.797 -5.349 534 HG2 ARG 71 2HG ARG 71 -2.452 13.663 -5.815 535 HG3 ARG 71 3HG ARG 71 -3.350 15.132 -5.446 536 HD2 ARG 71 2HD ARG 71 -2.081 16.225 -7.387 537 HD3 ARG 71 3HD ARG 71 -1.558 14.590 -7.824 538 HE ARG 71 HE ARG 71 -4.237 14.295 -7.606 539 HH11 ARG 71 1HH1 ARG 71 -2.298 16.578 -9.451 540 HH12 ARG 71 2HH1 ARG 71 -3.524 16.837 -10.647 541 HH21 ARG 71 1HH2 ARG 71 -5.847 14.672 -9.150 542 HH22 ARG 71 2HH2 ARG 71 -5.537 15.752 -10.473 543 H GLU 72 H GLU 72 -3.795 13.959 -3.429 544 HA GLU 72 HA GLU 72 -5.144 16.479 -2.816 545 HB2 GLU 72 2HB GLU 72 -6.174 13.737 -3.653 546 HB3 GLU 72 3HB GLU 72 -7.224 15.119 -3.333 547 HG2 GLU 72 2HG GLU 72 -6.267 16.367 -5.178 548 HG3 GLU 72 3HG GLU 72 -5.025 15.140 -5.422 549 H GLU 73 H GLU 73 -5.271 13.139 -1.501 550 HA GLU 73 HA GLU 73 -6.745 14.010 0.844 551 HB2 GLU 73 2HB GLU 73 -5.797 11.201 0.140 552 HB3 GLU 73 3HB GLU 73 -7.025 11.624 1.334 553 HG2 GLU 73 2HG GLU 73 -7.210 11.944 -1.678 554 HG3 GLU 73 3HG GLU 73 -8.085 10.778 -0.685 555 H GLY 74 H GLY 74 -3.539 12.552 0.176 556 HA2 GLY 74 2HA GLY 74 -2.701 12.778 2.964 557 HA3 GLY 74 3HA GLY 74 -1.749 12.185 1.607 558 H THR 75 H THR 75 -0.061 13.587 2.674 559 HA THR 75 HA THR 75 -0.250 16.396 1.736 560 HB THR 75 HB THR 75 1.681 16.871 3.190 561 HG1 THR 75 HG1 THR 75 1.460 14.209 4.168 562 HG21 THR 75 3HG2 THR 75 0.608 16.587 5.387 563 HG22 THR 75 1HG2 THR 75 -0.537 15.441 4.689 564 HG23 THR 75 2HG2 THR 75 -0.553 17.131 4.175 565 H GLN 76 H GLN 76 2.202 17.166 1.196 566 HA GLN 76 HA GLN 76 2.969 15.907 -1.217 567 HB2 GLN 76 2HB GLN 76 3.346 18.321 -0.653 568 HB3 GLN 76 3HB GLN 76 4.597 17.838 0.488 569 HG2 GLN 76 2HG GLN 76 5.926 16.900 -1.382 570 HG3 GLN 76 3HG GLN 76 4.660 17.372 -2.513 571 HE21 GLN 76 1HE2 GLN 76 4.345 19.626 -2.931 572 HE22 GLN 76 2HE2 GLN 76 5.598 20.770 -2.627 573 H LYS 77 H LYS 77 3.983 15.417 2.112 574 HA LYS 77 HA LYS 77 6.383 13.983 1.689 575 HB2 LYS 77 2HB LYS 77 5.783 14.781 3.926 576 HB3 LYS 77 3HB LYS 77 4.346 13.761 3.949 577 HG2 LYS 77 2HG LYS 77 5.757 11.743 3.926 578 HG3 LYS 77 3HG LYS 77 7.210 12.745 3.860 579 HD2 LYS 77 2HD LYS 77 6.737 13.634 6.091 580 HD3 LYS 77 3HD LYS 77 5.200 12.763 6.144 581 HE2 LYS 77 2HE LYS 77 6.960 11.618 7.457 582 HE3 LYS 77 3HE LYS 77 6.377 10.618 6.124 583 HZ1 LYS 77 3HZ LYS 77 8.331 11.183 4.857 584 HZ2 LYS 77 1HZ LYS 77 8.804 10.589 6.369 585 HZ3 LYS 77 2HZ LYS 77 8.857 12.246 6.062 586 H ASP 78 H ASP 78 3.018 12.864 2.108 587 HA ASP 78 HA ASP 78 3.349 10.094 1.780 588 HB2 ASP 78 2HB ASP 78 0.962 11.818 0.947 589 HB3 ASP 78 3HB ASP 78 0.932 10.066 1.103 590 H LEU 79 H LEU 79 2.707 12.643 -0.565 591 HA LEU 79 HA LEU 79 2.513 11.194 -2.930 592 HB2 LEU 79 2HB LEU 79 1.853 13.553 -2.649 593 HB3 LEU 79 3HB LEU 79 3.535 14.016 -2.457 594 HG LEU 79 HG LEU 79 3.990 13.419 -4.820 595 HD11 LEU 79 1HD1 LEU 79 2.398 11.602 -5.132 596 HD12 LEU 79 2HD1 LEU 79 2.129 12.850 -6.347 597 HD13 LEU 79 3HD1 LEU 79 1.040 12.724 -4.963 598 HD21 LEU 79 3HD2 LEU 79 3.279 15.730 -4.278 599 HD22 LEU 79 1HD2 LEU 79 1.590 15.267 -4.529 600 HD23 LEU 79 2HD2 LEU 79 2.727 15.238 -5.877 601 H SER 80 H SER 80 5.387 12.678 -1.432 602 HA SER 80 HA SER 80 7.241 12.018 -3.455 603 HB2 SER 80 2HB SER 80 7.748 12.605 -0.510 604 HB3 SER 80 3HB SER 80 8.970 12.613 -1.785 605 HG SER 80 HG SER 80 7.077 14.488 -1.140 606 H GLU 81 H GLU 81 6.167 10.279 -0.562 607 HA GLU 81 HA GLU 81 8.243 8.316 -0.544 608 HB2 GLU 81 2HB GLU 81 5.511 8.339 0.803 609 HB3 GLU 81 3HB GLU 81 6.768 7.145 1.130 610 HG2 GLU 81 2HG GLU 81 8.264 8.932 1.938 611 HG3 GLU 81 3HG GLU 81 7.033 10.136 1.586 612 H LEU 82 H LEU 82 5.007 8.437 -1.981 613 HA LEU 82 HA LEU 82 4.974 5.694 -2.847 614 HB2 LEU 82 2HB LEU 82 3.348 8.078 -3.792 615 HB3 LEU 82 3HB LEU 82 3.021 6.404 -4.232 616 HG LEU 82 HG LEU 82 2.868 7.548 -1.406 617 HD11 LEU 82 1HD1 LEU 82 0.466 7.231 -1.567 618 HD12 LEU 82 2HD1 LEU 82 0.627 6.651 -3.225 619 HD13 LEU 82 3HD1 LEU 82 1.031 8.319 -2.829 620 HD21 LEU 82 3HD2 LEU 82 2.187 4.762 -2.385 621 HD22 LEU 82 1HD2 LEU 82 1.930 5.381 -0.751 622 HD23 LEU 82 2HD2 LEU 82 3.565 5.196 -1.373 623 H GLN 83 H GLN 83 5.895 8.753 -4.353 624 HA GLN 83 HA GLN 83 6.372 7.794 -6.995 625 HB2 GLN 83 2HB GLN 83 7.431 10.234 -5.512 626 HB3 GLN 83 3HB GLN 83 7.698 9.943 -7.230 627 HG2 GLN 83 2HG GLN 83 5.324 10.104 -7.684 628 HG3 GLN 83 3HG GLN 83 4.959 10.203 -5.963 629 HE21 GLN 83 1HE2 GLN 83 7.110 12.065 -5.346 630 HE22 GLN 83 2HE2 GLN 83 6.643 13.592 -5.998 631 H ASP 84 H ASP 84 8.372 8.266 -4.142 632 HA ASP 84 HA ASP 84 10.908 7.564 -5.156 633 HB2 ASP 84 2HB ASP 84 10.616 8.747 -3.024 634 HB3 ASP 84 3HB ASP 84 9.710 7.401 -2.352 635 H ALA 85 H ALA 85 8.360 5.659 -3.546 636 HA ALA 85 HA ALA 85 9.752 3.241 -3.347 637 HB1 ALA 85 3HB ALA 85 7.585 2.270 -2.777 638 HB2 ALA 85 1HB ALA 85 6.761 3.704 -3.383 639 HB3 ALA 85 2HB ALA 85 7.808 3.822 -1.966 640 H LYS 86 H LYS 86 7.397 4.351 -5.827 641 HA LYS 86 HA LYS 86 7.430 1.953 -7.315 642 HB2 LYS 86 2HB LYS 86 6.367 3.197 -9.155 643 HB3 LYS 86 3HB LYS 86 5.606 3.525 -7.605 644 HG2 LYS 86 2HG LYS 86 6.685 5.692 -7.463 645 HG3 LYS 86 3HG LYS 86 7.596 5.376 -8.942 646 HD2 LYS 86 2HD LYS 86 4.566 5.607 -8.749 647 HD3 LYS 86 3HD LYS 86 5.653 6.874 -9.323 648 HE2 LYS 86 2HE LYS 86 6.390 5.308 -11.154 649 HE3 LYS 86 3HE LYS 86 5.142 4.180 -10.631 650 HZ1 LYS 86 3HZ LYS 86 3.483 5.855 -11.113 651 HZ2 LYS 86 1HZ LYS 86 4.422 5.533 -12.480 652 HZ3 LYS 86 2HZ LYS 86 4.681 6.946 -11.592 653 H LEU 87 H LEU 87 9.519 4.887 -7.637 654 HA LEU 87 HA LEU 87 10.610 4.008 -10.134 655 HB2 LEU 87 2HB LEU 87 12.209 5.831 -9.968 656 HB3 LEU 87 3HB LEU 87 10.595 6.371 -9.574 657 HG LEU 87 HG LEU 87 11.398 6.124 -7.067 658 HD11 LEU 87 1HD1 LEU 87 14.085 6.412 -8.453 659 HD12 LEU 87 2HD1 LEU 87 13.554 5.051 -7.463 660 HD13 LEU 87 3HD1 LEU 87 13.794 6.630 -6.724 661 HD21 LEU 87 3HD2 LEU 87 10.766 8.250 -8.088 662 HD22 LEU 87 1HD2 LEU 87 12.366 8.399 -8.824 663 HD23 LEU 87 2HD2 LEU 87 12.187 8.457 -7.067 664 H LYS 88 H LYS 88 11.638 3.543 -6.749 665 HA LYS 88 HA LYS 88 14.034 2.148 -7.483 666 HB2 LYS 88 2HB LYS 88 14.354 1.649 -5.156 667 HB3 LYS 88 3HB LYS 88 13.790 3.296 -5.300 668 HG2 LYS 88 2HG LYS 88 12.631 2.599 -3.438 669 HG3 LYS 88 3HG LYS 88 11.439 2.265 -4.693 670 HD2 LYS 88 2HD LYS 88 11.993 -0.106 -4.667 671 HD3 LYS 88 3HD LYS 88 13.373 0.181 -3.606 672 HE2 LYS 88 2HE LYS 88 11.458 -0.782 -2.374 673 HE3 LYS 88 3HE LYS 88 11.872 0.827 -1.785 674 HZ1 LYS 88 3HZ LYS 88 9.781 0.509 -3.823 675 HZ2 LYS 88 1HZ LYS 88 9.985 1.725 -2.660 676 HZ3 LYS 88 2HZ LYS 88 9.435 0.193 -2.201 677 H ALA 89 H ALA 89 10.695 1.076 -6.732 678 HA ALA 89 HA ALA 89 11.090 -1.663 -6.915 679 HB1 ALA 89 3HB ALA 89 9.003 -0.662 -6.126 680 HB2 ALA 89 1HB ALA 89 8.690 -1.814 -7.423 681 HB3 ALA 89 2HB ALA 89 8.643 -0.078 -7.749 682 H GLU 90 H GLU 90 10.653 0.721 -9.534 683 HA GLU 90 HA GLU 90 10.568 -1.014 -11.732 684 HB2 GLU 90 2HB GLU 90 11.783 1.765 -11.462 685 HB3 GLU 90 3HB GLU 90 11.653 0.937 -13.007 686 HG2 GLU 90 2HG GLU 90 9.235 1.500 -11.261 687 HG3 GLU 90 3HG GLU 90 9.840 2.665 -12.435 688 H GLY 91 H GLY 91 13.269 0.123 -9.764 689 HA2 GLY 91 2HA GLY 91 15.402 -0.995 -11.263 690 HA3 GLY 91 3HA GLY 91 15.453 -0.495 -9.584 691 H LEU 92 H LEU 92 13.052 -2.598 -9.298 692 HA LEU 92 HA LEU 92 14.612 -4.821 -8.421 693 HB2 LEU 92 2HB LEU 92 11.629 -4.584 -8.991 694 HB3 LEU 92 3HB LEU 92 12.357 -6.028 -8.303 695 HG LEU 92 HG LEU 92 12.410 -3.283 -6.972 696 HD11 LEU 92 1HD1 LEU 92 10.727 -4.160 -5.406 697 HD12 LEU 92 2HD1 LEU 92 10.629 -5.652 -6.348 698 HD13 LEU 92 3HD1 LEU 92 10.109 -4.123 -7.061 699 HD21 LEU 92 3HD2 LEU 92 14.302 -4.698 -6.305 700 HD22 LEU 92 1HD2 LEU 92 13.196 -6.014 -5.900 701 HD23 LEU 92 2HD2 LEU 92 13.163 -4.513 -4.974 702 H GLU 93 H GLU 93 12.166 -4.770 -11.028 703 HA GLU 93 HA GLU 93 13.247 -7.109 -12.320 704 HB2 GLU 93 2HB GLU 93 11.482 -6.614 -14.071 705 HB3 GLU 93 3HB GLU 93 10.882 -6.866 -12.439 706 HG2 GLU 93 2HG GLU 93 10.601 -4.442 -12.143 707 HG3 GLU 93 3HG GLU 93 11.266 -4.159 -13.753 708 H HIS 94 H HIS 94 13.019 -3.677 -13.260 709 HA HIS 94 HA HIS 94 14.931 -3.974 -15.453 710 HB2 HIS 94 2HB HIS 94 12.890 -2.541 -15.719 711 HB3 HIS 94 3HB HIS 94 13.424 -1.529 -14.391 712 HD1 HIS 94 HD1 HIS 94 13.843 -2.074 -18.025 713 HD2 HIS 94 HD2 HIS 94 15.592 0.239 -15.058 714 HE1 HIS 94 HE1 HIS 94 15.145 -0.311 -19.224 715 HE2 HIS 94 HE2 HIS 94 15.988 1.203 -17.413 716 H HIS 95 H HIS 95 16.476 -4.773 -13.743 717 HA HIS 95 HA HIS 95 17.699 -2.720 -12.045 718 HB2 HIS 95 2HB HIS 95 19.072 -4.615 -11.146 719 HB3 HIS 95 3HB HIS 95 17.342 -4.840 -10.952 720 HD1 HIS 95 HD1 HIS 95 16.246 -6.801 -12.213 721 HD2 HIS 95 HD2 HIS 95 20.342 -6.464 -12.836 722 HE1 HIS 95 HE1 HIS 95 16.958 -8.972 -13.250 723 HE2 HIS 95 HE2 HIS 95 19.448 -8.784 -13.517 724 H HIS 96 H HIS 96 20.133 -2.677 -11.979 725 HA HIS 96 HA HIS 96 21.128 -1.723 -14.440 726 HB2 HIS 96 2HB HIS 96 22.636 -2.425 -11.892 727 HB3 HIS 96 3HB HIS 96 23.290 -1.479 -13.224 728 HD1 HIS 96 HD1 HIS 96 21.883 -1.006 -10.017 729 HD2 HIS 96 HD2 HIS 96 21.425 0.932 -13.661 730 HE1 HIS 96 HE1 HIS 96 20.996 1.262 -9.464 731 HE2 HIS 96 HE2 HIS 96 20.547 2.348 -11.680 732 H HIS 97 H HIS 97 21.517 -3.001 -16.115 733 HA HIS 97 HA HIS 97 22.677 -5.698 -15.807 734 HB2 HIS 97 2HB HIS 97 21.414 -4.333 -18.230 735 HB3 HIS 97 3HB HIS 97 22.018 -5.988 -18.207 736 HD1 HIS 97 HD1 HIS 97 18.948 -4.244 -17.988 737 HD2 HIS 97 HD2 HIS 97 20.572 -7.476 -15.943 738 HE1 HIS 97 HE1 HIS 97 17.005 -5.450 -16.958 739 HE2 HIS 97 HE2 HIS 97 17.992 -7.517 -15.938 740 H HIS 98 H HIS 98 24.837 -5.757 -15.863 741 HA HIS 98 HA HIS 98 26.407 -4.446 -17.914 742 HB2 HIS 98 2HB HIS 98 27.822 -3.125 -16.373 743 HB3 HIS 98 3HB HIS 98 26.154 -2.590 -16.267 744 HD1 HIS 98 HD1 HIS 98 28.893 -4.151 -14.263 745 HD2 HIS 98 HD2 HIS 98 24.885 -3.148 -13.773 746 HE1 HIS 98 HE1 HIS 98 28.456 -4.295 -11.804 747 HE2 HIS 98 HE2 HIS 98 26.001 -3.827 -11.542 748 H HIS 99 H HIS 99 28.736 -5.035 -17.726 749 HA HIS 99 HA HIS 99 29.211 -7.546 -16.229 750 HB2 HIS 99 2HB HIS 99 30.522 -6.333 -18.694 751 HB3 HIS 99 3HB HIS 99 31.352 -7.570 -17.755 752 HD1 HIS 99 HD1 HIS 99 28.302 -7.087 -19.943 753 HD2 HIS 99 HD2 HIS 99 30.441 -10.162 -18.147 754 HE1 HIS 99 HE1 HIS 99 27.395 -9.207 -20.930 755 HE2 HIS 99 HE2 HIS 99 28.683 -11.052 -19.802 Start of MODEL 10 1 H1 GLU 1 1H GLU 1 -13.903 -4.773 18.780 2 H2 GLU 1 2H GLU 1 -13.275 -5.830 17.621 3 H3 GLU 1 3H GLU 1 -14.948 -5.667 17.802 4 HA GLU 1 HA GLU 1 -14.882 -3.416 17.059 5 HB2 GLU 1 2HB GLU 1 -12.647 -2.826 17.907 6 HB3 GLU 1 3HB GLU 1 -11.887 -3.916 16.759 7 HG2 GLU 1 2HG GLU 1 -11.634 -1.607 16.027 8 HG3 GLU 1 3HG GLU 1 -12.640 -2.498 14.888 9 H ASP 2 H ASP 2 -15.462 -3.128 14.917 10 HA ASP 2 HA ASP 2 -15.597 -5.253 13.108 11 HB2 ASP 2 2HB ASP 2 -15.638 -2.256 12.521 12 HB3 ASP 2 3HB ASP 2 -16.128 -3.510 11.385 13 HA PRO 3 HA PRO 3 -11.290 -5.032 11.613 14 HB2 PRO 3 2HB PRO 3 -11.343 -7.146 9.923 15 HB3 PRO 3 3HB PRO 3 -11.366 -7.369 11.679 16 HG2 PRO 3 2HG PRO 3 -13.675 -7.424 9.732 17 HG3 PRO 3 3HG PRO 3 -13.304 -8.553 11.053 18 HD2 PRO 3 2HD PRO 3 -15.128 -6.514 11.291 19 HD3 PRO 3 3HD PRO 3 -14.204 -7.149 12.671 20 H GLU 4 H GLU 4 -14.104 -4.137 10.085 21 HA GLU 4 HA GLU 4 -12.965 -3.344 7.530 22 HB2 GLU 4 2HB GLU 4 -15.635 -2.701 8.855 23 HB3 GLU 4 3HB GLU 4 -15.199 -2.259 7.203 24 HG2 GLU 4 2HG GLU 4 -15.006 -4.658 6.618 25 HG3 GLU 4 3HG GLU 4 -15.456 -5.091 8.272 26 H ASP 5 H ASP 5 -12.916 -2.147 10.713 27 HA ASP 5 HA ASP 5 -12.857 0.659 10.283 28 HB2 ASP 5 2HB ASP 5 -13.137 -0.374 12.540 29 HB3 ASP 5 3HB ASP 5 -11.503 -1.007 12.461 30 HA PRO 6 HA PRO 6 -9.214 0.863 7.741 31 HB2 PRO 6 2HB PRO 6 -8.384 3.479 8.276 32 HB3 PRO 6 3HB PRO 6 -9.684 3.039 7.164 33 HG2 PRO 6 2HG PRO 6 -9.865 3.899 10.051 34 HG3 PRO 6 3HG PRO 6 -10.848 4.425 8.664 35 HD2 PRO 6 2HD PRO 6 -11.794 2.618 10.390 36 HD3 PRO 6 3HD PRO 6 -12.105 2.432 8.648 37 H PHE 7 H PHE 7 -8.460 2.592 10.848 38 HA PHE 7 HA PHE 7 -5.721 1.958 10.825 39 HB2 PHE 7 2HB PHE 7 -6.589 3.816 12.183 40 HB3 PHE 7 3HB PHE 7 -7.467 2.689 13.212 41 HD1 PHE 7 HD1 PHE 7 -4.011 3.690 12.159 42 HD2 PHE 7 HD2 PHE 7 -6.380 1.697 15.117 43 HE1 PHE 7 HE1 PHE 7 -2.032 3.465 13.607 44 HE2 PHE 7 HE2 PHE 7 -4.400 1.490 16.558 45 HZ PHE 7 HZ PHE 7 -2.223 2.371 15.807 46 H THR 8 H THR 8 -8.491 0.275 12.310 47 HA THR 8 HA THR 8 -7.083 -1.499 13.965 48 HB THR 8 HB THR 8 -9.788 -1.857 12.606 49 HG1 THR 8 HG1 THR 8 -9.712 -0.176 14.109 50 HG21 THR 8 3HG2 THR 8 -10.270 -3.607 14.300 51 HG22 THR 8 1HG2 THR 8 -8.596 -3.527 14.862 52 HG23 THR 8 2HG2 THR 8 -8.956 -4.093 13.229 53 H ARG 9 H ARG 9 -8.303 -2.054 10.624 54 HA ARG 9 HA ARG 9 -7.105 -4.667 10.404 55 HB2 ARG 9 2HB ARG 9 -7.988 -4.702 8.155 56 HB3 ARG 9 3HB ARG 9 -9.201 -4.066 9.263 57 HG2 ARG 9 2HG ARG 9 -8.623 -1.758 8.518 58 HG3 ARG 9 3HG ARG 9 -7.500 -2.447 7.339 59 HD2 ARG 9 2HD ARG 9 -10.501 -2.860 7.456 60 HD3 ARG 9 3HD ARG 9 -9.603 -1.933 6.248 61 HE ARG 9 HE ARG 9 -8.538 -4.467 6.154 62 HH11 ARG 9 1HH1 ARG 9 -11.651 -3.014 5.500 63 HH12 ARG 9 2HH1 ARG 9 -12.208 -4.354 4.551 64 HH21 ARG 9 1HH2 ARG 9 -9.273 -6.216 4.925 65 HH22 ARG 9 2HH2 ARG 9 -10.852 -6.169 4.222 66 H TYR 10 H TYR 10 -6.108 -1.423 9.543 67 HA TYR 10 HA TYR 10 -4.003 -2.050 7.725 68 HB2 TYR 10 2HB TYR 10 -4.868 0.189 7.741 69 HB3 TYR 10 3HB TYR 10 -4.603 0.370 9.467 70 HD1 TYR 10 HD1 TYR 10 -2.771 0.050 6.197 71 HD2 TYR 10 HD2 TYR 10 -2.584 1.365 10.263 72 HE1 TYR 10 HE1 TYR 10 -0.614 1.150 5.751 73 HE2 TYR 10 HE2 TYR 10 -0.439 2.465 9.808 74 HH TYR 10 HH TYR 10 1.399 2.337 8.248 75 H ALA 11 H ALA 11 -3.984 -1.242 11.184 76 HA ALA 11 HA ALA 11 -1.243 -1.778 11.679 77 HB1 ALA 11 3HB ALA 11 -2.597 -0.302 13.107 78 HB2 ALA 11 1HB ALA 11 -1.872 -1.602 14.056 79 HB3 ALA 11 2HB ALA 11 -3.581 -1.674 13.616 80 H LEU 12 H LEU 12 -4.186 -3.710 11.900 81 HA LEU 12 HA LEU 12 -3.180 -6.069 13.104 82 HB2 LEU 12 2HB LEU 12 -5.573 -5.618 12.934 83 HB3 LEU 12 3HB LEU 12 -5.491 -5.602 11.185 84 HG LEU 12 HG LEU 12 -4.995 -8.063 11.212 85 HD11 LEU 12 1HD1 LEU 12 -5.520 -7.889 14.193 86 HD12 LEU 12 2HD1 LEU 12 -3.981 -8.289 13.423 87 HD13 LEU 12 3HD1 LEU 12 -5.358 -9.375 13.253 88 HD21 LEU 12 3HD2 LEU 12 -7.300 -7.273 10.876 89 HD22 LEU 12 1HD2 LEU 12 -7.574 -7.285 12.621 90 HD23 LEU 12 2HD2 LEU 12 -7.277 -8.797 11.759 91 H ALA 13 H ALA 13 -3.387 -4.968 9.747 92 HA ALA 13 HA ALA 13 -2.461 -7.305 8.451 93 HB1 ALA 13 3HB ALA 13 -2.308 -4.435 7.501 94 HB2 ALA 13 1HB ALA 13 -3.665 -5.534 7.255 95 HB3 ALA 13 2HB ALA 13 -2.109 -5.871 6.493 96 H GLN 14 H GLN 14 -0.775 -4.400 9.619 97 HA GLN 14 HA GLN 14 1.841 -5.097 8.834 98 HB2 GLN 14 2HB GLN 14 0.948 -3.446 11.234 99 HB3 GLN 14 3HB GLN 14 2.587 -3.491 10.576 100 HG2 GLN 14 2HG GLN 14 1.712 -2.571 8.425 101 HG3 GLN 14 3HG GLN 14 0.111 -2.464 9.156 102 HE21 GLN 14 1HE2 GLN 14 3.346 -1.147 9.142 103 HE22 GLN 14 2HE2 GLN 14 2.969 0.301 10.003 104 H GLU 15 H GLU 15 -0.035 -5.970 11.732 105 HA GLU 15 HA GLU 15 2.075 -7.384 13.033 106 HB2 GLU 15 2HB GLU 15 -0.935 -7.638 13.412 107 HB3 GLU 15 3HB GLU 15 0.279 -8.357 14.470 108 HG2 GLU 15 2HG GLU 15 -0.253 -5.402 14.038 109 HG3 GLU 15 3HG GLU 15 -0.582 -6.344 15.491 110 H HIS 16 H HIS 16 -0.515 -8.400 10.771 111 HA HIS 16 HA HIS 16 -0.059 -11.157 10.715 112 HB2 HIS 16 2HB HIS 16 -0.981 -9.321 8.471 113 HB3 HIS 16 3HB HIS 16 -0.848 -11.060 8.255 114 HD1 HIS 16 HD1 HIS 16 -2.339 -12.410 10.250 115 HD2 HIS 16 HD2 HIS 16 -3.523 -8.629 9.050 116 HE1 HIS 16 HE1 HIS 16 -4.764 -12.244 10.846 117 HE2 HIS 16 HE2 HIS 16 -5.501 -10.056 9.867 118 H LEU 17 H LEU 17 1.566 -8.551 8.942 119 HA LEU 17 HA LEU 17 3.311 -10.051 7.331 120 HB2 LEU 17 2HB LEU 17 3.661 -7.292 8.559 121 HB3 LEU 17 3HB LEU 17 4.763 -7.961 7.362 122 HG LEU 17 HG LEU 17 1.802 -7.419 6.884 123 HD11 LEU 17 1HD1 LEU 17 4.209 -5.866 5.887 124 HD12 LEU 17 2HD1 LEU 17 3.054 -5.316 7.104 125 HD13 LEU 17 3HD1 LEU 17 2.524 -5.577 5.444 126 HD21 LEU 17 3HD2 LEU 17 2.600 -9.290 5.535 127 HD22 LEU 17 1HD2 LEU 17 3.983 -8.339 4.979 128 HD23 LEU 17 2HD2 LEU 17 2.344 -7.879 4.515 129 H LYS 18 H LYS 18 3.728 -8.752 10.594 130 HA LYS 18 HA LYS 18 6.356 -9.674 11.102 131 HB2 LYS 18 2HB LYS 18 4.054 -8.955 12.961 132 HB3 LYS 18 3HB LYS 18 5.695 -9.270 13.524 133 HG2 LYS 18 2HG LYS 18 6.554 -7.323 12.408 134 HG3 LYS 18 3HG LYS 18 5.061 -7.105 11.494 135 HD2 LYS 18 2HD LYS 18 5.225 -5.446 13.302 136 HD3 LYS 18 3HD LYS 18 3.850 -6.522 13.560 137 HE2 LYS 18 2HE LYS 18 5.194 -7.805 15.213 138 HE3 LYS 18 3HE LYS 18 6.541 -6.691 14.973 139 HZ1 LYS 18 3HZ LYS 18 5.182 -6.187 16.933 140 HZ2 LYS 18 1HZ LYS 18 3.850 -5.897 15.937 141 HZ3 LYS 18 2HZ LYS 18 5.219 -4.912 15.830 142 H HIS 19 H HIS 19 3.182 -11.173 11.466 143 HA HIS 19 HA HIS 19 4.152 -13.576 12.781 144 HB2 HIS 19 2HB HIS 19 1.413 -12.881 11.644 145 HB3 HIS 19 3HB HIS 19 1.771 -14.308 12.613 146 HD1 HIS 19 HD1 HIS 19 -0.148 -11.656 13.194 147 HD2 HIS 19 HD2 HIS 19 3.395 -12.738 15.067 148 HE1 HIS 19 HE1 HIS 19 -0.205 -10.537 15.437 149 HE2 HIS 19 HE2 HIS 19 2.047 -11.019 16.439 150 H ASP 20 H ASP 20 4.746 -12.677 9.773 151 HA ASP 20 HA ASP 20 5.437 -13.688 7.883 152 HB2 ASP 20 2HB ASP 20 6.261 -15.582 9.255 153 HB3 ASP 20 3HB ASP 20 4.674 -16.331 9.201 154 H ASN 21 H ASN 21 2.278 -13.653 8.885 155 HA ASN 21 HA ASN 21 0.988 -14.970 6.661 156 HB2 ASN 21 2HB ASN 21 -0.106 -13.272 8.945 157 HB3 ASN 21 3HB ASN 21 -1.118 -14.051 7.737 158 HD21 ASN 21 1HD2 ASN 21 0.322 -16.501 7.542 159 HD22 ASN 21 2HD2 ASN 21 0.095 -17.361 9.022 160 H ALA 22 H ALA 22 2.334 -13.647 5.156 161 HA ALA 22 HA ALA 22 1.934 -10.876 4.757 162 HB1 ALA 22 3HB ALA 22 3.959 -12.053 4.006 163 HB2 ALA 22 1HB ALA 22 3.168 -11.235 2.658 164 HB3 ALA 22 2HB ALA 22 3.004 -12.983 2.851 165 H SER 23 H SER 23 0.580 -13.782 3.232 166 HA SER 23 HA SER 23 -0.967 -12.529 1.245 167 HB2 SER 23 2HB SER 23 -0.327 -14.927 1.220 168 HB3 SER 23 3HB SER 23 -1.411 -15.231 2.574 169 HG SER 23 HG SER 23 -2.331 -14.092 0.149 170 H ARG 24 H ARG 24 -1.682 -13.140 4.683 171 HA ARG 24 HA ARG 24 -4.500 -12.598 4.494 172 HB2 ARG 24 2HB ARG 24 -2.633 -12.597 6.908 173 HB3 ARG 24 3HB ARG 24 -4.395 -12.571 6.979 174 HG2 ARG 24 2HG ARG 24 -2.698 -14.833 5.863 175 HG3 ARG 24 3HG ARG 24 -3.493 -14.814 7.438 176 HD2 ARG 24 2HD ARG 24 -5.689 -14.745 6.361 177 HD3 ARG 24 3HD ARG 24 -4.934 -14.668 4.765 178 HE ARG 24 HE ARG 24 -4.100 -16.976 6.236 179 HH11 ARG 24 1HH1 ARG 24 -6.764 -15.766 4.275 180 HH12 ARG 24 2HH1 ARG 24 -7.266 -17.348 3.779 181 HH21 ARG 24 1HH2 ARG 24 -4.759 -19.034 5.568 182 HH22 ARG 24 2HH2 ARG 24 -6.124 -19.212 4.513 183 H ALA 25 H ALA 25 -1.593 -10.797 5.394 184 HA ALA 25 HA ALA 25 -2.777 -8.299 6.042 185 HB1 ALA 25 3HB ALA 25 -0.467 -8.882 6.648 186 HB2 ALA 25 1HB ALA 25 -0.510 -7.393 5.704 187 HB3 ALA 25 2HB ALA 25 -0.012 -8.910 4.944 188 H LEU 26 H LEU 26 -1.784 -9.832 3.075 189 HA LEU 26 HA LEU 26 -1.782 -7.678 1.268 190 HB2 LEU 26 2HB LEU 26 -0.871 -10.022 0.866 191 HB3 LEU 26 3HB LEU 26 -2.523 -10.567 0.663 192 HG LEU 26 HG LEU 26 -2.717 -8.910 -1.283 193 HD11 LEU 26 1HD1 LEU 26 -0.619 -8.166 -2.336 194 HD12 LEU 26 2HD1 LEU 26 0.303 -8.789 -0.967 195 HD13 LEU 26 3HD1 LEU 26 -0.830 -7.455 -0.740 196 HD21 LEU 26 3HD2 LEU 26 -0.717 -11.184 -1.543 197 HD22 LEU 26 1HD2 LEU 26 -1.561 -10.401 -2.883 198 HD23 LEU 26 2HD2 LEU 26 -2.473 -11.312 -1.682 199 H ALA 27 H ALA 27 -4.264 -10.122 1.984 200 HA ALA 27 HA ALA 27 -6.426 -9.218 0.548 201 HB1 ALA 27 3HB ALA 27 -6.376 -11.346 1.775 202 HB2 ALA 27 1HB ALA 27 -7.829 -10.426 2.176 203 HB3 ALA 27 2HB ALA 27 -6.474 -10.481 3.309 204 H LEU 28 H LEU 28 -5.453 -8.161 3.834 205 HA LEU 28 HA LEU 28 -7.699 -6.504 4.321 206 HB2 LEU 28 2HB LEU 28 -4.924 -6.352 5.561 207 HB3 LEU 28 3HB LEU 28 -6.337 -5.476 6.145 208 HG LEU 28 HG LEU 28 -5.913 -8.489 6.175 209 HD11 LEU 28 1HD1 LEU 28 -6.134 -8.259 8.607 210 HD12 LEU 28 2HD1 LEU 28 -6.338 -6.512 8.439 211 HD13 LEU 28 3HD1 LEU 28 -4.807 -7.271 7.997 212 HD21 LEU 28 3HD2 LEU 28 -8.243 -8.072 5.551 213 HD22 LEU 28 1HD2 LEU 28 -8.435 -6.963 6.915 214 HD23 LEU 28 2HD2 LEU 28 -8.151 -8.684 7.200 215 H PHE 29 H PHE 29 -4.499 -5.738 2.960 216 HA PHE 29 HA PHE 29 -4.952 -2.916 2.798 217 HB2 PHE 29 2HB PHE 29 -2.904 -4.711 1.449 218 HB3 PHE 29 3HB PHE 29 -2.931 -2.965 1.265 219 HD1 PHE 29 HD1 PHE 29 -3.328 -1.917 3.951 220 HD2 PHE 29 HD2 PHE 29 -1.000 -5.287 2.699 221 HE1 PHE 29 HE1 PHE 29 -1.845 -1.633 5.893 222 HE2 PHE 29 HE2 PHE 29 0.471 -4.990 4.651 223 HZ PHE 29 HZ PHE 29 0.049 -3.163 6.252 224 H GLU 30 H GLU 30 -5.086 -5.572 0.388 225 HA GLU 30 HA GLU 30 -5.849 -4.186 -1.878 226 HB2 GLU 30 2HB GLU 30 -6.695 -6.977 -0.988 227 HB3 GLU 30 3HB GLU 30 -6.964 -6.340 -2.608 228 HG2 GLU 30 2HG GLU 30 -4.546 -6.161 -2.972 229 HG3 GLU 30 3HG GLU 30 -4.239 -6.722 -1.329 230 H GLU 31 H GLU 31 -7.940 -5.468 0.722 231 HA GLU 31 HA GLU 31 -10.366 -4.586 -0.463 232 HB2 GLU 31 2HB GLU 31 -10.142 -6.419 1.316 233 HB3 GLU 31 3HB GLU 31 -10.039 -5.119 2.503 234 HG2 GLU 31 2HG GLU 31 -12.267 -4.261 1.573 235 HG3 GLU 31 3HG GLU 31 -12.368 -5.760 0.655 236 H LEU 32 H LEU 32 -8.119 -3.101 1.839 237 HA LEU 32 HA LEU 32 -9.607 -0.834 2.556 238 HB2 LEU 32 2HB LEU 32 -6.654 -1.400 2.405 239 HB3 LEU 32 3HB LEU 32 -7.170 0.265 2.635 240 HG LEU 32 HG LEU 32 -8.098 -1.939 4.512 241 HD11 LEU 32 1HD1 LEU 32 -5.643 -1.970 4.580 242 HD12 LEU 32 2HD1 LEU 32 -6.297 -1.287 6.066 243 HD13 LEU 32 3HD1 LEU 32 -5.609 -0.223 4.837 244 HD21 LEU 32 3HD2 LEU 32 -9.377 0.172 4.548 245 HD22 LEU 32 1HD2 LEU 32 -7.888 1.078 4.837 246 HD23 LEU 32 2HD2 LEU 32 -8.486 -0.056 6.051 247 H VAL 33 H VAL 33 -7.488 -1.365 -0.278 248 HA VAL 33 HA VAL 33 -7.655 1.148 -1.483 249 HB VAL 33 HB VAL 33 -7.327 -1.629 -2.727 250 HG11 VAL 33 1HG1 VAL 33 -6.409 -0.509 -4.756 251 HG12 VAL 33 2HG1 VAL 33 -6.879 1.056 -4.087 252 HG13 VAL 33 3HG1 VAL 33 -8.115 -0.129 -4.503 253 HG21 VAL 33 3HG2 VAL 33 -5.294 0.519 -2.029 254 HG22 VAL 33 1HG2 VAL 33 -4.920 -0.993 -2.866 255 HG23 VAL 33 2HG2 VAL 33 -5.516 -1.025 -1.207 256 H GLU 34 H GLU 34 -9.670 -1.760 -2.127 257 HA GLU 34 HA GLU 34 -11.353 -0.435 -3.989 258 HB2 GLU 34 2HB GLU 34 -12.695 -2.478 -4.006 259 HB3 GLU 34 3HB GLU 34 -10.976 -2.843 -4.092 260 HG2 GLU 34 2HG GLU 34 -11.028 -3.318 -1.625 261 HG3 GLU 34 3HG GLU 34 -12.779 -3.131 -1.672 262 H THR 35 H THR 35 -11.692 -0.779 -0.435 263 HA THR 35 HA THR 35 -14.465 0.107 -0.518 264 HB THR 35 HB THR 35 -13.693 -1.604 1.178 265 HG1 THR 35 HG1 THR 35 -15.229 0.633 1.657 266 HG21 THR 35 3HG2 THR 35 -12.530 -0.855 3.207 267 HG22 THR 35 1HG2 THR 35 -12.368 0.774 2.547 268 HG23 THR 35 2HG2 THR 35 -11.517 -0.576 1.792 269 H ASP 36 H ASP 36 -11.277 1.434 0.083 270 HA ASP 36 HA ASP 36 -12.349 4.147 0.063 271 HB2 ASP 36 2HB ASP 36 -12.129 3.564 2.505 272 HB3 ASP 36 3HB ASP 36 -10.426 3.224 2.242 273 HA PRO 37 HA PRO 37 -8.688 3.779 -2.740 274 HB2 PRO 37 2HB PRO 37 -9.594 5.876 -4.347 275 HB3 PRO 37 3HB PRO 37 -9.975 4.170 -4.605 276 HG2 PRO 37 2HG PRO 37 -11.602 6.285 -3.203 277 HG3 PRO 37 3HG PRO 37 -12.133 5.054 -4.371 278 HD2 PRO 37 2HD PRO 37 -12.548 4.722 -1.752 279 HD3 PRO 37 3HD PRO 37 -12.089 3.338 -2.773 280 H ASP 38 H ASP 38 -9.813 6.074 -0.518 281 HA ASP 38 HA ASP 38 -7.808 8.121 -1.150 282 HB2 ASP 38 2HB ASP 38 -10.282 8.137 0.613 283 HB3 ASP 38 3HB ASP 38 -9.159 9.491 0.512 284 H TYR 39 H TYR 39 -7.337 5.400 0.462 285 HA TYR 39 HA TYR 39 -6.358 6.647 2.981 286 HB2 TYR 39 2HB TYR 39 -7.987 4.641 3.189 287 HB3 TYR 39 3HB TYR 39 -6.684 3.640 2.555 288 HD1 TYR 39 HD1 TYR 39 -7.696 5.811 5.413 289 HD2 TYR 39 HD2 TYR 39 -4.794 3.023 3.993 290 HE1 TYR 39 HE1 TYR 39 -6.753 5.615 7.682 291 HE2 TYR 39 HE2 TYR 39 -3.869 2.815 6.249 292 HH TYR 39 HH TYR 39 -5.448 4.042 9.016 293 H VAL 40 H VAL 40 -4.406 7.383 2.393 294 HA VAL 40 HA VAL 40 -2.831 6.399 0.268 295 HB VAL 40 HB VAL 40 -1.989 8.249 2.547 296 HG11 VAL 40 1HG1 VAL 40 -0.911 7.988 -0.286 297 HG12 VAL 40 2HG1 VAL 40 -0.079 7.527 1.201 298 HG13 VAL 40 3HG1 VAL 40 -0.430 9.222 0.876 299 HG21 VAL 40 3HG2 VAL 40 -3.372 8.983 -0.062 300 HG22 VAL 40 1HG2 VAL 40 -2.722 10.138 1.108 301 HG23 VAL 40 2HG2 VAL 40 -4.068 9.090 1.556 302 H GLY 41 H GLY 41 -2.751 5.847 3.755 303 HA2 GLY 41 2HA GLY 41 -0.156 4.816 4.111 304 HA3 GLY 41 3HA GLY 41 -1.543 4.475 5.135 305 H THR 42 H THR 42 -3.167 3.243 3.140 306 HA THR 42 HA THR 42 -2.398 0.567 3.177 307 HB THR 42 HB THR 42 -4.292 2.036 1.296 308 HG1 THR 42 HG1 THR 42 -5.802 1.524 2.765 309 HG21 THR 42 3HG2 THR 42 -5.293 -0.180 0.831 310 HG22 THR 42 1HG2 THR 42 -3.994 -0.955 1.743 311 HG23 THR 42 2HG2 THR 42 -3.632 -0.086 0.250 312 H TYR 43 H TYR 43 -2.081 2.992 0.571 313 HA TYR 43 HA TYR 43 -1.435 1.214 -1.484 314 HB2 TYR 43 2HB TYR 43 -1.019 4.204 -1.213 315 HB3 TYR 43 3HB TYR 43 -0.607 3.329 -2.693 316 HD1 TYR 43 HD2 TYR 43 -2.412 2.026 -3.894 317 HD2 TYR 43 HD1 TYR 43 -3.346 4.782 -0.765 318 HE1 TYR 43 HE2 TYR 43 -4.738 2.079 -4.640 319 HE2 TYR 43 HE1 TYR 43 -5.685 4.816 -1.517 320 HH TYR 43 HH TYR 43 -6.903 4.353 -3.722 321 H TYR 44 H TYR 44 0.798 3.235 0.463 322 HA TYR 44 HA TYR 44 3.172 2.383 -0.681 323 HB2 TYR 44 2HB TYR 44 2.829 4.259 1.018 324 HB3 TYR 44 3HB TYR 44 2.829 3.029 2.280 325 HD1 TYR 44 HD1 TYR 44 4.904 4.243 -0.612 326 HD2 TYR 44 HD2 TYR 44 4.931 2.448 3.273 327 HE1 TYR 44 HE1 TYR 44 7.353 4.330 -0.582 328 HE2 TYR 44 HE2 TYR 44 7.381 2.545 3.306 329 HH TYR 44 HH TYR 44 9.181 4.320 0.953 330 H HIS 45 H HIS 45 1.554 1.062 2.194 331 HA HIS 45 HA HIS 45 3.537 -0.932 2.696 332 HB2 HIS 45 2HB HIS 45 0.752 -0.541 3.871 333 HB3 HIS 45 3HB HIS 45 1.902 -1.741 4.459 334 HD1 HIS 45 HD1 HIS 45 3.337 -0.950 6.332 335 HD2 HIS 45 HD2 HIS 45 1.952 2.214 4.036 336 HE1 HIS 45 HE1 HIS 45 4.207 1.126 7.437 337 HE2 HIS 45 HE2 HIS 45 3.143 3.011 6.172 338 H LEU 46 H LEU 46 0.587 -0.965 0.851 339 HA LEU 46 HA LEU 46 0.354 -3.808 0.524 340 HB2 LEU 46 2HB LEU 46 -1.610 -2.365 0.233 341 HB3 LEU 46 3HB LEU 46 -0.820 -1.495 -1.070 342 HG LEU 46 HG LEU 46 -0.910 -3.497 -2.510 343 HD11 LEU 46 1HD1 LEU 46 -0.713 -5.265 -0.800 344 HD12 LEU 46 2HD1 LEU 46 -2.078 -5.538 -1.877 345 HD13 LEU 46 3HD1 LEU 46 -2.356 -4.918 -0.253 346 HD21 LEU 46 3HD2 LEU 46 -3.328 -3.629 -2.867 347 HD22 LEU 46 1HD2 LEU 46 -2.813 -1.965 -2.593 348 HD23 LEU 46 2HD2 LEU 46 -3.615 -2.866 -1.302 349 H GLY 47 H GLY 47 1.808 -1.123 -1.277 350 HA2 GLY 47 2HA GLY 47 2.482 -2.557 -3.632 351 HA3 GLY 47 3HA GLY 47 3.130 -1.008 -3.122 352 H LYS 48 H LYS 48 4.381 -1.605 -0.752 353 HA LYS 48 HA LYS 48 6.847 -2.714 -1.545 354 HB2 LYS 48 2HB LYS 48 5.836 -2.422 1.320 355 HB3 LYS 48 3HB LYS 48 7.515 -2.584 0.813 356 HG2 LYS 48 2HG LYS 48 5.689 -0.218 0.288 357 HG3 LYS 48 3HG LYS 48 7.002 -0.277 1.455 358 HD2 LYS 48 2HD LYS 48 7.422 -0.542 -1.552 359 HD3 LYS 48 3HD LYS 48 7.450 1.002 -0.705 360 HE2 LYS 48 2HE LYS 48 9.720 0.285 -1.027 361 HE3 LYS 48 3HE LYS 48 9.346 0.135 0.685 362 HZ1 LYS 48 3HZ LYS 48 9.322 -2.105 -1.256 363 HZ2 LYS 48 1HZ LYS 48 9.129 -2.221 0.420 364 HZ3 LYS 48 2HZ LYS 48 10.609 -1.735 -0.227 365 H LEU 49 H LEU 49 4.074 -4.074 0.191 366 HA LEU 49 HA LEU 49 5.087 -6.643 0.767 367 HB2 LEU 49 2HB LEU 49 3.144 -5.751 1.885 368 HB3 LEU 49 3HB LEU 49 2.265 -5.608 0.373 369 HG LEU 49 HG LEU 49 2.027 -8.044 0.205 370 HD11 LEU 49 1HD1 LEU 49 4.156 -8.787 1.130 371 HD12 LEU 49 2HD1 LEU 49 2.825 -9.557 1.988 372 HD13 LEU 49 3HD1 LEU 49 3.693 -8.216 2.736 373 HD21 LEU 49 3HD2 LEU 49 0.603 -8.440 2.173 374 HD22 LEU 49 1HD2 LEU 49 0.348 -6.821 1.525 375 HD23 LEU 49 2HD2 LEU 49 1.311 -7.046 2.989 376 H TYR 50 H TYR 50 3.219 -5.453 -2.029 377 HA TYR 50 HA TYR 50 3.010 -7.748 -3.558 378 HB2 TYR 50 2HB TYR 50 3.147 -4.819 -4.262 379 HB3 TYR 50 3HB TYR 50 3.260 -5.980 -5.575 380 HD1 TYR 50 HD2 TYR 50 1.336 -8.079 -4.649 381 HD2 TYR 50 HD1 TYR 50 1.001 -3.815 -4.625 382 HE1 TYR 50 HE2 TYR 50 -1.102 -8.268 -4.796 383 HE2 TYR 50 HE1 TYR 50 -1.441 -4.018 -4.789 384 HH TYR 50 HH TYR 50 -3.080 -6.964 -4.275 385 H GLU 51 H GLU 51 5.726 -5.448 -3.459 386 HA GLU 51 HA GLU 51 7.326 -6.554 -5.486 387 HB2 GLU 51 2HB GLU 51 8.137 -5.030 -2.982 388 HB3 GLU 51 3HB GLU 51 9.188 -5.300 -4.376 389 HG2 GLU 51 2HG GLU 51 7.807 -3.945 -5.785 390 HG3 GLU 51 3HG GLU 51 6.523 -3.882 -4.582 391 H ARG 52 H ARG 52 7.029 -7.419 -2.065 392 HA ARG 52 HA ARG 52 9.246 -9.202 -1.835 393 HB2 ARG 52 2HB ARG 52 6.608 -9.328 -0.313 394 HB3 ARG 52 3HB ARG 52 8.139 -10.040 0.196 395 HG2 ARG 52 2HG ARG 52 9.092 -7.806 0.531 396 HG3 ARG 52 3HG ARG 52 7.619 -7.064 -0.101 397 HD2 ARG 52 2HD ARG 52 7.521 -6.907 2.290 398 HD3 ARG 52 3HD ARG 52 6.349 -8.137 1.806 399 HE ARG 52 HE ARG 52 8.978 -9.149 2.513 400 HH11 ARG 52 1HH1 ARG 52 5.745 -8.480 3.716 401 HH12 ARG 52 2HH1 ARG 52 5.950 -9.461 5.131 402 HH21 ARG 52 1HH2 ARG 52 9.242 -10.377 4.390 403 HH22 ARG 52 2HH2 ARG 52 7.942 -10.489 5.541 404 H LEU 53 H LEU 53 5.907 -9.592 -2.875 405 HA LEU 53 HA LEU 53 6.068 -12.476 -3.306 406 HB2 LEU 53 2HB LEU 53 3.870 -10.462 -3.934 407 HB3 LEU 53 3HB LEU 53 3.699 -12.210 -4.018 408 HG LEU 53 HG LEU 53 4.246 -10.647 -1.452 409 HD11 LEU 53 1HD1 LEU 53 1.917 -11.135 -0.839 410 HD12 LEU 53 2HD1 LEU 53 1.649 -11.880 -2.418 411 HD13 LEU 53 3HD1 LEU 53 2.000 -10.154 -2.303 412 HD21 LEU 53 3HD2 LEU 53 5.146 -12.934 -1.345 413 HD22 LEU 53 1HD2 LEU 53 3.588 -13.593 -1.858 414 HD23 LEU 53 2HD2 LEU 53 3.738 -12.776 -0.301 415 H ASP 54 H ASP 54 7.600 -10.255 -4.935 416 HA ASP 54 HA ASP 54 8.347 -9.808 -6.993 417 HB2 ASP 54 2HB ASP 54 8.779 -12.301 -6.894 418 HB3 ASP 54 3HB ASP 54 7.273 -12.552 -7.769 419 H ARG 55 H ARG 55 5.465 -9.286 -6.324 420 HA ARG 55 HA ARG 55 4.242 -8.939 -8.980 421 HB2 ARG 55 2HB ARG 55 3.058 -8.383 -6.220 422 HB3 ARG 55 3HB ARG 55 2.190 -8.335 -7.749 423 HG2 ARG 55 2HG ARG 55 3.337 -10.795 -6.384 424 HG3 ARG 55 3HG ARG 55 1.630 -10.374 -6.561 425 HD2 ARG 55 2HD ARG 55 3.547 -11.069 -8.818 426 HD3 ARG 55 3HD ARG 55 2.288 -12.119 -8.166 427 HE ARG 55 HE ARG 55 0.976 -9.839 -8.965 428 HH11 ARG 55 1HH1 ARG 55 3.060 -12.135 -10.632 429 HH12 ARG 55 2HH1 ARG 55 2.209 -11.984 -12.134 430 HH21 ARG 55 1HH2 ARG 55 -0.077 -9.612 -10.944 431 HH22 ARG 55 2HH2 ARG 55 0.441 -10.538 -12.321 432 H THR 56 H THR 56 6.427 -7.506 -8.843 433 HA THR 56 HA THR 56 6.361 -4.968 -7.598 434 HB THR 56 HB THR 56 7.946 -5.722 -10.095 435 HG1 THR 56 HG1 THR 56 9.500 -6.476 -8.677 436 HG21 THR 56 3HG2 THR 56 9.603 -4.093 -9.246 437 HG22 THR 56 1HG2 THR 56 8.527 -3.688 -7.906 438 HG23 THR 56 2HG2 THR 56 8.054 -3.311 -9.564 439 H ASP 57 H ASP 57 5.139 -6.102 -10.714 440 HA ASP 57 HA ASP 57 4.594 -3.560 -11.887 441 HB2 ASP 57 2HB ASP 57 4.745 -5.542 -13.305 442 HB3 ASP 57 3HB ASP 57 3.439 -6.321 -12.430 443 H ASP 58 H ASP 58 2.664 -5.831 -9.932 444 HA ASP 58 HA ASP 58 0.244 -4.398 -9.751 445 HB2 ASP 58 2HB ASP 58 1.618 -6.249 -7.763 446 HB3 ASP 58 3HB ASP 58 0.046 -5.531 -7.429 447 H ALA 59 H ALA 59 3.269 -4.169 -7.921 448 HA ALA 59 HA ALA 59 2.497 -2.333 -5.944 449 HB1 ALA 59 3HB ALA 59 4.891 -1.920 -5.619 450 HB2 ALA 59 1HB ALA 59 5.254 -2.715 -7.153 451 HB3 ALA 59 2HB ALA 59 4.577 -3.644 -5.816 452 H ILE 60 H ILE 60 3.992 -1.779 -9.164 453 HA ILE 60 HA ILE 60 4.313 1.008 -9.024 454 HB ILE 60 HB ILE 60 3.736 -0.580 -11.572 455 HG12 ILE 60 2HG1 ILE 60 5.614 -1.664 -10.483 456 HG13 ILE 60 3HG1 ILE 60 6.258 -0.721 -11.814 457 HG21 ILE 60 1HG2 ILE 60 5.019 1.197 -12.735 458 HG22 ILE 60 2HG2 ILE 60 5.185 2.071 -11.209 459 HG23 ILE 60 3HG2 ILE 60 3.589 1.840 -11.925 460 HD11 ILE 60 3HD1 ILE 60 7.677 -0.534 -9.903 461 HD12 ILE 60 1HD1 ILE 60 6.335 -0.005 -8.890 462 HD13 ILE 60 2HD1 ILE 60 6.915 1.025 -10.204 463 H ASP 61 H ASP 61 1.601 -0.945 -10.153 464 HA ASP 61 HA ASP 61 -0.085 1.154 -11.068 465 HB2 ASP 61 2HB ASP 61 -0.296 -1.231 -11.765 466 HB3 ASP 61 3HB ASP 61 -0.795 -1.671 -10.140 467 H THR 62 H THR 62 0.240 -0.523 -7.971 468 HA THR 62 HA THR 62 -1.957 0.600 -6.587 469 HB THR 62 HB THR 62 0.664 -0.556 -5.504 470 HG1 THR 62 HG1 THR 62 -0.276 -2.317 -6.206 471 HG21 THR 62 3HG2 THR 62 -1.950 -0.050 -4.032 472 HG22 THR 62 1HG2 THR 62 -0.427 0.799 -3.754 473 HG23 THR 62 2HG2 THR 62 -0.560 -0.921 -3.381 474 H TYR 63 H TYR 63 1.488 1.539 -6.672 475 HA TYR 63 HA TYR 63 1.329 3.800 -5.006 476 HB2 TYR 63 2HB TYR 63 3.279 3.313 -7.294 477 HB3 TYR 63 3HB TYR 63 3.475 4.519 -6.022 478 HD1 TYR 63 HD2 TYR 63 2.839 3.020 -3.554 479 HD2 TYR 63 HD1 TYR 63 5.017 1.765 -7.007 480 HE1 TYR 63 HE2 TYR 63 4.076 1.388 -2.198 481 HE2 TYR 63 HE1 TYR 63 6.247 0.146 -5.646 482 HH TYR 63 HH TYR 63 6.803 -0.334 -3.440 483 H ALA 64 H ALA 64 1.003 3.423 -8.535 484 HA ALA 64 HA ALA 64 0.820 6.045 -9.392 485 HB1 ALA 64 3HB ALA 64 -0.425 5.159 -11.332 486 HB2 ALA 64 1HB ALA 64 -0.721 3.652 -10.456 487 HB3 ALA 64 2HB ALA 64 0.926 4.105 -10.906 488 H GLN 65 H GLN 65 -1.772 3.951 -8.159 489 HA GLN 65 HA GLN 65 -3.877 5.889 -8.471 490 HB2 GLN 65 2HB GLN 65 -3.878 3.175 -8.267 491 HB3 GLN 65 3HB GLN 65 -4.205 3.555 -6.586 492 HG2 GLN 65 2HG GLN 65 -5.855 4.636 -8.889 493 HG3 GLN 65 3HG GLN 65 -6.223 3.121 -8.077 494 HE21 GLN 65 1HE2 GLN 65 -6.078 6.613 -7.721 495 HE22 GLN 65 2HE2 GLN 65 -7.101 6.709 -6.331 496 H GLY 66 H GLY 66 -1.777 4.796 -5.903 497 HA2 GLY 66 2HA GLY 66 -2.771 6.165 -3.693 498 HA3 GLY 66 3HA GLY 66 -1.103 5.666 -3.928 499 H ILE 67 H ILE 67 -0.498 7.273 -6.195 500 HA ILE 67 HA ILE 67 0.506 9.596 -5.008 501 HB ILE 67 HB ILE 67 0.106 8.785 -7.914 502 HG12 ILE 67 2HG1 ILE 67 2.688 8.980 -6.289 503 HG13 ILE 67 3HG1 ILE 67 1.759 7.499 -6.474 504 HG21 ILE 67 1HG2 ILE 67 0.158 11.250 -7.910 505 HG22 ILE 67 2HG2 ILE 67 1.620 10.592 -8.642 506 HG23 ILE 67 3HG2 ILE 67 1.669 11.226 -6.999 507 HD11 ILE 67 3HD1 ILE 67 2.172 7.521 -8.868 508 HD12 ILE 67 1HD1 ILE 67 3.676 7.585 -7.953 509 HD13 ILE 67 2HD1 ILE 67 3.052 9.047 -8.711 510 H GLU 68 H GLU 68 -2.347 9.054 -6.980 511 HA GLU 68 HA GLU 68 -3.185 11.692 -7.459 512 HB2 GLU 68 2HB GLU 68 -4.933 9.206 -7.196 513 HB3 GLU 68 3HB GLU 68 -5.333 10.680 -8.083 514 HG2 GLU 68 2HG GLU 68 -3.490 10.221 -9.665 515 HG3 GLU 68 3HG GLU 68 -3.081 8.755 -8.778 516 H VAL 69 H VAL 69 -3.962 9.414 -4.875 517 HA VAL 69 HA VAL 69 -5.647 11.354 -3.474 518 HB VAL 69 HB VAL 69 -6.172 9.616 -1.868 519 HG11 VAL 69 1HG1 VAL 69 -6.334 8.564 -4.723 520 HG12 VAL 69 2HG1 VAL 69 -7.457 9.700 -3.973 521 HG13 VAL 69 3HG1 VAL 69 -7.344 8.049 -3.369 522 HG21 VAL 69 3HG2 VAL 69 -5.307 7.296 -2.060 523 HG22 VAL 69 1HG2 VAL 69 -4.009 8.441 -1.713 524 HG23 VAL 69 2HG2 VAL 69 -4.211 7.809 -3.347 525 H ALA 70 H ALA 70 -2.312 10.470 -3.447 526 HA ALA 70 HA ALA 70 -1.750 10.779 -0.657 527 HB1 ALA 70 3HB ALA 70 0.153 10.913 -3.013 528 HB2 ALA 70 1HB ALA 70 -0.306 9.453 -2.136 529 HB3 ALA 70 2HB ALA 70 0.609 10.718 -1.316 530 H ARG 71 H ARG 71 -1.353 12.827 -3.488 531 HA ARG 71 HA ARG 71 -0.263 15.125 -2.301 532 HB2 ARG 71 2HB ARG 71 -1.088 16.284 -4.376 533 HB3 ARG 71 3HB ARG 71 -0.231 14.783 -4.722 534 HG2 ARG 71 2HG ARG 71 -2.359 13.608 -5.021 535 HG3 ARG 71 3HG ARG 71 -3.241 15.072 -4.615 536 HD2 ARG 71 2HD ARG 71 -2.190 16.146 -6.655 537 HD3 ARG 71 3HD ARG 71 -1.582 14.541 -7.089 538 HE ARG 71 HE ARG 71 -4.284 14.198 -6.628 539 HH11 ARG 71 1HH1 ARG 71 -2.409 16.149 -8.883 540 HH12 ARG 71 2HH1 ARG 71 -3.656 16.134 -10.089 541 HH21 ARG 71 1HH2 ARG 71 -5.903 14.245 -8.194 542 HH22 ARG 71 2HH2 ARG 71 -5.622 15.059 -9.704 543 H GLU 72 H GLU 72 -3.640 14.058 -2.614 544 HA GLU 72 HA GLU 72 -4.725 16.654 -1.819 545 HB2 GLU 72 2HB GLU 72 -6.103 14.097 -2.722 546 HB3 GLU 72 3HB GLU 72 -6.933 15.612 -2.364 547 HG2 GLU 72 2HG GLU 72 -5.666 16.739 -4.162 548 HG3 GLU 72 3HG GLU 72 -4.835 15.234 -4.526 549 H GLU 73 H GLU 73 -4.958 13.307 -0.662 550 HA GLU 73 HA GLU 73 -6.426 13.980 1.722 551 HB2 GLU 73 2HB GLU 73 -5.169 11.366 0.794 552 HB3 GLU 73 3HB GLU 73 -6.157 11.517 2.247 553 HG2 GLU 73 2HG GLU 73 -7.081 12.077 -0.589 554 HG3 GLU 73 3HG GLU 73 -7.414 10.605 0.323 555 H GLY 74 H GLY 74 -3.097 12.750 1.073 556 HA2 GLY 74 2HA GLY 74 -2.345 13.213 3.895 557 HA3 GLY 74 3HA GLY 74 -1.453 12.263 2.712 558 H THR 75 H THR 75 0.346 13.593 3.629 559 HA THR 75 HA THR 75 0.499 16.380 2.738 560 HB THR 75 HB THR 75 2.754 16.368 3.798 561 HG1 THR 75 HG1 THR 75 2.211 13.618 4.015 562 HG21 THR 75 3HG2 THR 75 2.049 16.040 6.142 563 HG22 THR 75 1HG2 THR 75 0.606 15.176 5.602 564 HG23 THR 75 2HG2 THR 75 0.805 16.892 5.231 565 H GLN 76 H GLN 76 2.611 17.032 1.602 566 HA GLN 76 HA GLN 76 2.893 15.707 -0.896 567 HB2 GLN 76 2HB GLN 76 3.266 18.140 -0.578 568 HB3 GLN 76 3HB GLN 76 4.684 17.804 0.409 569 HG2 GLN 76 2HG GLN 76 5.837 16.839 -1.533 570 HG3 GLN 76 3HG GLN 76 4.401 17.076 -2.528 571 HE21 GLN 76 1HE2 GLN 76 3.875 19.161 -3.229 572 HE22 GLN 76 2HE2 GLN 76 4.996 20.476 -3.133 573 H LYS 77 H LYS 77 4.423 15.232 2.189 574 HA LYS 77 HA LYS 77 6.699 13.788 1.341 575 HB2 LYS 77 2HB LYS 77 6.565 14.549 3.640 576 HB3 LYS 77 3HB LYS 77 5.109 13.598 3.928 577 HG2 LYS 77 2HG LYS 77 6.333 11.522 3.746 578 HG3 LYS 77 3HG LYS 77 7.786 12.360 3.194 579 HD2 LYS 77 2HD LYS 77 8.035 13.416 5.402 580 HD3 LYS 77 3HD LYS 77 6.542 12.645 5.958 581 HE2 LYS 77 2HE LYS 77 8.591 11.450 6.727 582 HE3 LYS 77 3HE LYS 77 7.545 10.436 5.733 583 HZ1 LYS 77 3HZ LYS 77 8.994 10.782 3.853 584 HZ2 LYS 77 1HZ LYS 77 9.904 10.225 5.164 585 HZ3 LYS 77 2HZ LYS 77 9.959 11.853 4.735 586 H ASP 78 H ASP 78 3.363 12.708 2.202 587 HA ASP 78 HA ASP 78 3.628 9.945 1.723 588 HB2 ASP 78 2HB ASP 78 1.207 11.769 1.385 589 HB3 ASP 78 3HB ASP 78 1.114 10.022 1.220 590 H LEU 79 H LEU 79 2.698 12.579 -0.440 591 HA LEU 79 HA LEU 79 2.385 11.276 -2.867 592 HB2 LEU 79 2HB LEU 79 1.838 13.629 -2.506 593 HB3 LEU 79 3HB LEU 79 3.523 14.019 -2.211 594 HG LEU 79 HG LEU 79 4.030 13.465 -4.617 595 HD11 LEU 79 1HD1 LEU 79 2.195 11.927 -5.071 596 HD12 LEU 79 2HD1 LEU 79 2.172 13.266 -6.215 597 HD13 LEU 79 3HD1 LEU 79 1.018 13.234 -4.878 598 HD21 LEU 79 3HD2 LEU 79 3.089 15.534 -5.544 599 HD22 LEU 79 1HD2 LEU 79 3.660 15.803 -3.897 600 HD23 LEU 79 2HD2 LEU 79 1.931 15.633 -4.216 601 H SER 80 H SER 80 5.313 12.517 -1.338 602 HA SER 80 HA SER 80 7.119 11.917 -3.457 603 HB2 SER 80 2HB SER 80 7.527 13.710 -1.759 604 HB3 SER 80 3HB SER 80 7.758 12.470 -0.526 605 HG SER 80 HG SER 80 9.717 12.241 -1.213 606 H GLU 81 H GLU 81 6.008 10.107 -0.625 607 HA GLU 81 HA GLU 81 8.034 8.126 -0.541 608 HB2 GLU 81 2HB GLU 81 5.132 7.945 0.386 609 HB3 GLU 81 3HB GLU 81 6.381 6.765 0.773 610 HG2 GLU 81 2HG GLU 81 6.296 9.657 1.672 611 HG3 GLU 81 3HG GLU 81 5.934 8.250 2.656 612 H LEU 82 H LEU 82 4.846 8.261 -2.081 613 HA LEU 82 HA LEU 82 4.886 5.585 -3.106 614 HB2 LEU 82 2HB LEU 82 3.102 7.963 -3.721 615 HB3 LEU 82 3HB LEU 82 2.801 6.328 -4.304 616 HG LEU 82 HG LEU 82 2.929 7.086 -1.347 617 HD11 LEU 82 1HD1 LEU 82 0.482 6.564 -3.047 618 HD12 LEU 82 2HD1 LEU 82 0.992 8.130 -2.418 619 HD13 LEU 82 3HD1 LEU 82 0.506 6.856 -1.305 620 HD21 LEU 82 3HD2 LEU 82 3.522 4.743 -1.758 621 HD22 LEU 82 1HD2 LEU 82 2.039 4.510 -2.690 622 HD23 LEU 82 2HD2 LEU 82 1.957 4.859 -0.961 623 H GLN 83 H GLN 83 5.596 8.760 -4.485 624 HA GLN 83 HA GLN 83 5.956 7.912 -7.185 625 HB2 GLN 83 2HB GLN 83 6.897 10.385 -5.682 626 HB3 GLN 83 3HB GLN 83 7.213 10.138 -7.401 627 HG2 GLN 83 2HG GLN 83 4.807 10.073 -7.858 628 HG3 GLN 83 3HG GLN 83 4.456 10.234 -6.140 629 HE21 GLN 83 1HE2 GLN 83 6.522 12.263 -5.684 630 HE22 GLN 83 2HE2 GLN 83 5.908 13.716 -6.382 631 H ASP 84 H ASP 84 8.193 8.437 -4.456 632 HA ASP 84 HA ASP 84 10.608 7.788 -5.776 633 HB2 ASP 84 2HB ASP 84 10.533 8.956 -3.586 634 HB3 ASP 84 3HB ASP 84 9.896 7.511 -2.819 635 H ALA 85 H ALA 85 8.240 5.822 -4.014 636 HA ALA 85 HA ALA 85 9.710 3.421 -3.900 637 HB1 ALA 85 3HB ALA 85 7.782 3.905 -2.429 638 HB2 ALA 85 1HB ALA 85 7.591 2.359 -3.262 639 HB3 ALA 85 2HB ALA 85 6.694 3.779 -3.810 640 H LYS 86 H LYS 86 7.195 4.538 -6.199 641 HA LYS 86 HA LYS 86 7.224 2.134 -7.702 642 HB2 LYS 86 2HB LYS 86 5.925 3.266 -9.412 643 HB3 LYS 86 3HB LYS 86 5.286 3.605 -7.815 644 HG2 LYS 86 2HG LYS 86 6.113 5.844 -7.849 645 HG3 LYS 86 3HG LYS 86 7.068 5.545 -9.304 646 HD2 LYS 86 2HD LYS 86 4.026 5.532 -9.135 647 HD3 LYS 86 3HD LYS 86 5.024 6.824 -9.812 648 HE2 LYS 86 2HE LYS 86 5.860 5.249 -11.544 649 HE3 LYS 86 3HE LYS 86 4.819 3.983 -10.890 650 HZ1 LYS 86 3HZ LYS 86 2.907 5.353 -11.420 651 HZ2 LYS 86 1HZ LYS 86 3.833 5.032 -12.797 652 HZ3 LYS 86 2HZ LYS 86 3.914 6.549 -12.055 653 H LEU 87 H LEU 87 9.023 5.238 -8.159 654 HA LEU 87 HA LEU 87 9.930 4.542 -10.759 655 HB2 LEU 87 2HB LEU 87 11.413 6.461 -10.666 656 HB3 LEU 87 3HB LEU 87 9.826 6.865 -10.051 657 HG LEU 87 HG LEU 87 10.955 6.542 -7.668 658 HD11 LEU 87 1HD1 LEU 87 13.416 7.083 -9.352 659 HD12 LEU 87 2HD1 LEU 87 13.104 5.642 -8.382 660 HD13 LEU 87 3HD1 LEU 87 13.329 7.198 -7.592 661 HD21 LEU 87 3HD2 LEU 87 11.594 8.916 -7.616 662 HD22 LEU 87 1HD2 LEU 87 10.073 8.680 -8.477 663 HD23 LEU 87 2HD2 LEU 87 11.560 8.973 -9.381 664 H LYS 88 H LYS 88 11.368 4.034 -7.541 665 HA LYS 88 HA LYS 88 13.792 2.903 -8.596 666 HB2 LYS 88 2HB LYS 88 14.405 2.322 -6.346 667 HB3 LYS 88 3HB LYS 88 13.743 3.950 -6.359 668 HG2 LYS 88 2HG LYS 88 11.769 3.295 -5.230 669 HG3 LYS 88 3HG LYS 88 12.047 1.579 -5.543 670 HD2 LYS 88 2HD LYS 88 13.903 1.516 -4.005 671 HD3 LYS 88 3HD LYS 88 13.900 3.272 -3.826 672 HE2 LYS 88 2HE LYS 88 11.616 1.484 -2.954 673 HE3 LYS 88 3HE LYS 88 12.911 2.001 -1.878 674 HZ1 LYS 88 3HZ LYS 88 12.270 4.296 -2.280 675 HZ2 LYS 88 1HZ LYS 88 10.976 3.408 -1.659 676 HZ3 LYS 88 2HZ LYS 88 11.025 3.798 -3.302 677 H ALA 89 H ALA 89 10.669 1.569 -7.591 678 HA ALA 89 HA ALA 89 11.370 -1.171 -7.822 679 HB1 ALA 89 3HB ALA 89 9.446 -0.425 -6.530 680 HB2 ALA 89 1HB ALA 89 8.941 -1.562 -7.783 681 HB3 ALA 89 2HB ALA 89 8.666 0.170 -7.994 682 H GLU 90 H GLU 90 10.251 1.212 -10.160 683 HA GLU 90 HA GLU 90 9.960 -0.523 -12.405 684 HB2 GLU 90 2HB GLU 90 10.590 2.460 -12.267 685 HB3 GLU 90 3HB GLU 90 10.234 1.593 -13.762 686 HG2 GLU 90 2HG GLU 90 7.982 1.077 -12.955 687 HG3 GLU 90 3HG GLU 90 8.326 1.854 -11.418 688 H GLY 91 H GLY 91 12.641 1.225 -10.903 689 HA2 GLY 91 2HA GLY 91 14.652 0.250 -12.745 690 HA3 GLY 91 3HA GLY 91 14.906 1.168 -11.270 691 H LEU 92 H LEU 92 12.922 -1.628 -10.901 692 HA LEU 92 HA LEU 92 15.196 -3.278 -9.984 693 HB2 LEU 92 2HB LEU 92 12.210 -3.562 -9.462 694 HB3 LEU 92 3HB LEU 92 13.419 -4.718 -8.924 695 HG LEU 92 HG LEU 92 13.159 -1.830 -7.990 696 HD11 LEU 92 1HD1 LEU 92 11.421 -3.276 -7.061 697 HD12 LEU 92 2HD1 LEU 92 12.562 -2.784 -5.811 698 HD13 LEU 92 3HD1 LEU 92 12.647 -4.414 -6.489 699 HD21 LEU 92 3HD2 LEU 92 15.527 -2.442 -8.033 700 HD22 LEU 92 1HD2 LEU 92 15.188 -3.924 -7.131 701 HD23 LEU 92 2HD2 LEU 92 14.953 -2.348 -6.371 702 H GLU 93 H GLU 93 12.333 -3.251 -12.099 703 HA GLU 93 HA GLU 93 13.179 -5.826 -13.286 704 HB2 GLU 93 2HB GLU 93 10.756 -6.074 -13.972 705 HB3 GLU 93 3HB GLU 93 11.078 -6.145 -12.247 706 HG2 GLU 93 2HG GLU 93 10.243 -3.859 -11.959 707 HG3 GLU 93 3HG GLU 93 9.995 -3.714 -13.701 708 H HIS 94 H HIS 94 11.604 -2.710 -14.295 709 HA HIS 94 HA HIS 94 11.920 -3.256 -17.092 710 HB2 HIS 94 2HB HIS 94 10.208 -1.651 -16.194 711 HB3 HIS 94 3HB HIS 94 11.501 -0.544 -15.749 712 HD1 HIS 94 HD1 HIS 94 10.968 1.365 -17.346 713 HD2 HIS 94 HD2 HIS 94 11.202 -2.308 -19.279 714 HE1 HIS 94 HE1 HIS 94 10.872 1.884 -19.797 715 HE2 HIS 94 HE2 HIS 94 10.847 -0.361 -20.932 716 H HIS 95 H HIS 95 13.788 -1.459 -14.698 717 HA HIS 95 HA HIS 95 16.154 -1.553 -16.492 718 HB2 HIS 95 2HB HIS 95 15.753 0.281 -14.072 719 HB3 HIS 95 3HB HIS 95 17.112 0.299 -15.188 720 HD1 HIS 95 HD1 HIS 95 14.785 2.553 -14.435 721 HD2 HIS 95 HD2 HIS 95 15.442 0.556 -18.019 722 HE1 HIS 95 HE1 HIS 95 13.787 4.010 -16.215 723 HE2 HIS 95 HE2 HIS 95 14.391 2.884 -18.374 724 H HIS 96 H HIS 96 16.723 -3.668 -15.944 725 HA HIS 96 HA HIS 96 16.286 -5.008 -13.562 726 HB2 HIS 96 2HB HIS 96 18.460 -5.486 -15.634 727 HB3 HIS 96 3HB HIS 96 18.112 -6.608 -14.323 728 HD1 HIS 96 HD1 HIS 96 17.165 -5.818 -17.728 729 HD2 HIS 96 HD2 HIS 96 15.345 -7.667 -14.482 730 HE1 HIS 96 HE1 HIS 96 15.292 -7.174 -18.689 731 HE2 HIS 96 HE2 HIS 96 14.237 -8.327 -16.720 732 H HIS 97 H HIS 97 17.081 -4.801 -11.563 733 HA HIS 97 HA HIS 97 19.286 -3.003 -11.002 734 HB2 HIS 97 2HB HIS 97 17.123 -3.107 -9.670 735 HB3 HIS 97 3HB HIS 97 17.637 -4.666 -9.041 736 HD1 HIS 97 HD1 HIS 97 19.746 -4.632 -7.426 737 HD2 HIS 97 HD2 HIS 97 18.224 -0.897 -8.425 738 HE1 HIS 97 HE1 HIS 97 20.807 -3.019 -5.823 739 HE2 HIS 97 HE2 HIS 97 19.997 -0.755 -6.561 740 H HIS 98 H HIS 98 20.876 -4.366 -12.134 741 HA HIS 98 HA HIS 98 22.070 -6.458 -10.427 742 HB2 HIS 98 2HB HIS 98 20.783 -7.655 -12.149 743 HB3 HIS 98 3HB HIS 98 21.536 -6.711 -13.426 744 HD1 HIS 98 HD1 HIS 98 22.106 -9.642 -11.194 745 HD2 HIS 98 HD2 HIS 98 24.201 -7.507 -14.077 746 HE1 HIS 98 HE1 HIS 98 24.111 -11.041 -11.750 747 HE2 HIS 98 HE2 HIS 98 25.428 -9.671 -13.400 748 H HIS 99 H HIS 99 24.090 -5.907 -10.008 749 HA HIS 99 HA HIS 99 25.730 -4.369 -11.945 750 HB2 HIS 99 2HB HIS 99 25.974 -4.607 -8.903 751 HB3 HIS 99 3HB HIS 99 27.117 -3.751 -9.932 752 HD1 HIS 99 HD1 HIS 99 26.458 -1.405 -10.729 753 HD2 HIS 99 HD2 HIS 99 23.464 -3.287 -8.545 754 HE1 HIS 99 HE1 HIS 99 24.803 0.390 -10.168 755 HE2 HIS 99 HE2 HIS 99 22.913 -0.809 -9.020 Start of MODEL 11 1 H1 GLU 1 1H GLU 1 -12.564 -0.627 17.974 2 H2 GLU 1 2H GLU 1 -11.376 -0.330 19.139 3 H3 GLU 1 3H GLU 1 -12.272 -1.766 19.195 4 HA GLU 1 HA GLU 1 -10.385 -0.954 17.070 5 HB2 GLU 1 2HB GLU 1 -10.114 -3.204 19.115 6 HB3 GLU 1 3HB GLU 1 -8.920 -2.734 17.903 7 HG2 GLU 1 2HG GLU 1 -8.807 -0.471 19.069 8 HG3 GLU 1 3HG GLU 1 -9.783 -1.169 20.358 9 H ASP 2 H ASP 2 -12.059 -1.281 15.559 10 HA ASP 2 HA ASP 2 -13.145 -4.008 15.236 11 HB2 ASP 2 2HB ASP 2 -14.136 -1.359 14.066 12 HB3 ASP 2 3HB ASP 2 -14.921 -2.927 13.881 13 HA PRO 3 HA PRO 3 -10.475 -4.389 11.683 14 HB2 PRO 3 2HB PRO 3 -11.627 -6.473 10.363 15 HB3 PRO 3 3HB PRO 3 -10.836 -6.688 11.931 16 HG2 PRO 3 2HG PRO 3 -13.776 -6.322 11.333 17 HG3 PRO 3 3HG PRO 3 -12.993 -7.545 12.360 18 HD2 PRO 3 2HD PRO 3 -14.116 -5.306 13.396 19 HD3 PRO 3 3HD PRO 3 -12.668 -6.041 14.121 20 H GLU 4 H GLU 4 -13.715 -3.291 11.402 21 HA GLU 4 HA GLU 4 -13.673 -2.860 8.514 22 HB2 GLU 4 2HB GLU 4 -15.705 -1.925 10.578 23 HB3 GLU 4 3HB GLU 4 -15.908 -1.897 8.826 24 HG2 GLU 4 2HG GLU 4 -15.637 -4.445 8.887 25 HG3 GLU 4 3HG GLU 4 -15.753 -4.323 10.641 26 H ASP 5 H ASP 5 -12.622 -1.224 11.316 27 HA ASP 5 HA ASP 5 -12.559 1.451 10.252 28 HB2 ASP 5 2HB ASP 5 -12.474 1.102 12.694 29 HB3 ASP 5 3HB ASP 5 -10.997 0.161 12.538 30 HA PRO 6 HA PRO 6 -9.264 0.838 7.204 31 HB2 PRO 6 2HB PRO 6 -8.686 3.704 7.997 32 HB3 PRO 6 3HB PRO 6 -8.757 2.981 6.379 33 HG2 PRO 6 2HG PRO 6 -10.821 4.383 7.287 34 HG3 PRO 6 3HG PRO 6 -11.103 2.869 6.398 35 HD2 PRO 6 2HD PRO 6 -11.301 3.396 9.356 36 HD3 PRO 6 3HD PRO 6 -12.281 2.329 8.329 37 H PHE 7 H PHE 7 -8.191 2.833 10.017 38 HA PHE 7 HA PHE 7 -5.457 2.130 9.746 39 HB2 PHE 7 2HB PHE 7 -6.041 4.212 10.830 40 HB3 PHE 7 3HB PHE 7 -6.977 3.379 12.066 41 HD1 PHE 7 HD1 PHE 7 -3.454 3.532 10.727 42 HD2 PHE 7 HD2 PHE 7 -5.938 3.010 14.167 43 HE1 PHE 7 HE1 PHE 7 -1.463 3.445 12.156 44 HE2 PHE 7 HE2 PHE 7 -3.933 2.925 15.587 45 HZ PHE 7 HZ PHE 7 -1.694 3.145 14.590 46 H THR 8 H THR 8 -8.091 0.662 11.587 47 HA THR 8 HA THR 8 -6.449 -0.917 13.312 48 HB THR 8 HB THR 8 -9.378 -1.343 12.565 49 HG1 THR 8 HG1 THR 8 -8.635 0.734 13.594 50 HG21 THR 8 3HG2 THR 8 -9.550 -2.555 14.713 51 HG22 THR 8 1HG2 THR 8 -7.818 -2.347 14.979 52 HG23 THR 8 2HG2 THR 8 -8.393 -3.347 13.647 53 H ARG 9 H ARG 9 -8.161 -1.643 10.234 54 HA ARG 9 HA ARG 9 -7.295 -4.399 10.107 55 HB2 ARG 9 2HB ARG 9 -8.430 -4.547 8.014 56 HB3 ARG 9 3HB ARG 9 -9.404 -3.489 9.014 57 HG2 ARG 9 2HG ARG 9 -7.876 -1.646 7.678 58 HG3 ARG 9 3HG ARG 9 -7.966 -2.924 6.476 59 HD2 ARG 9 2HD ARG 9 -10.273 -1.414 7.739 60 HD3 ARG 9 3HD ARG 9 -9.754 -1.360 6.055 61 HE ARG 9 HE ARG 9 -10.460 -4.001 6.672 62 HH11 ARG 9 1HH1 ARG 9 -12.036 -0.887 6.228 63 HH12 ARG 9 2HH1 ARG 9 -13.588 -1.593 5.924 64 HH21 ARG 9 1HH2 ARG 9 -12.528 -4.885 6.302 65 HH22 ARG 9 2HH2 ARG 9 -13.869 -3.832 5.970 66 H TYR 10 H TYR 10 -6.061 -1.345 9.030 67 HA TYR 10 HA TYR 10 -3.928 -2.141 7.345 68 HB2 TYR 10 2HB TYR 10 -4.608 0.150 7.334 69 HB3 TYR 10 3HB TYR 10 -4.478 0.292 9.076 70 HD1 TYR 10 HD2 TYR 10 -2.341 -0.224 6.010 71 HD2 TYR 10 HD1 TYR 10 -2.553 1.315 9.999 72 HE1 TYR 10 HE2 TYR 10 -0.131 0.820 5.735 73 HE2 TYR 10 HE1 TYR 10 -0.351 2.356 9.713 74 HH TYR 10 HH TYR 10 1.647 2.068 8.337 75 H ALA 11 H ALA 11 -4.067 -1.434 10.831 76 HA ALA 11 HA ALA 11 -1.376 -2.052 11.475 77 HB1 ALA 11 3HB ALA 11 -2.798 -0.665 12.937 78 HB2 ALA 11 1HB ALA 11 -2.153 -2.048 13.822 79 HB3 ALA 11 2HB ALA 11 -3.830 -2.052 13.275 80 H LEU 12 H LEU 12 -4.349 -3.957 11.369 81 HA LEU 12 HA LEU 12 -3.364 -6.354 12.530 82 HB2 LEU 12 2HB LEU 12 -5.772 -5.781 12.398 83 HB3 LEU 12 3HB LEU 12 -5.716 -5.913 10.650 84 HG LEU 12 HG LEU 12 -5.321 -8.337 10.802 85 HD11 LEU 12 1HD1 LEU 12 -5.398 -9.543 12.944 86 HD12 LEU 12 2HD1 LEU 12 -5.410 -8.008 13.818 87 HD13 LEU 12 3HD1 LEU 12 -4.006 -8.464 12.847 88 HD21 LEU 12 3HD2 LEU 12 -7.687 -7.461 12.499 89 HD22 LEU 12 1HD2 LEU 12 -7.509 -9.028 11.699 90 HD23 LEU 12 2HD2 LEU 12 -7.646 -7.561 10.737 91 H ALA 13 H ALA 13 -3.474 -5.098 9.234 92 HA ALA 13 HA ALA 13 -2.549 -7.393 7.858 93 HB1 ALA 13 3HB ALA 13 -2.030 -5.848 6.022 94 HB2 ALA 13 1HB ALA 13 -2.209 -4.468 7.105 95 HB3 ALA 13 2HB ALA 13 -3.605 -5.473 6.723 96 H GLN 14 H GLN 14 -0.837 -4.609 9.288 97 HA GLN 14 HA GLN 14 1.808 -5.360 8.661 98 HB2 GLN 14 2HB GLN 14 0.765 -3.760 11.033 99 HB3 GLN 14 3HB GLN 14 2.455 -3.838 10.536 100 HG2 GLN 14 2HG GLN 14 1.840 -2.778 8.367 101 HG3 GLN 14 3HG GLN 14 0.170 -2.660 8.920 102 HE21 GLN 14 1HE2 GLN 14 3.425 -1.482 9.384 103 HE22 GLN 14 2HE2 GLN 14 2.999 -0.076 10.290 104 H GLU 15 H GLU 15 -0.283 -6.200 11.408 105 HA GLU 15 HA GLU 15 1.576 -7.654 12.959 106 HB2 GLU 15 2HB GLU 15 -1.443 -7.943 12.715 107 HB3 GLU 15 3HB GLU 15 -0.478 -8.817 13.904 108 HG2 GLU 15 2HG GLU 15 0.219 -6.668 14.910 109 HG3 GLU 15 3HG GLU 15 -0.748 -5.799 13.720 110 H HIS 16 H HIS 16 -0.722 -8.699 10.433 111 HA HIS 16 HA HIS 16 -0.155 -11.441 10.440 112 HB2 HIS 16 2HB HIS 16 -1.208 -9.641 8.241 113 HB3 HIS 16 3HB HIS 16 -0.993 -11.370 7.992 114 HD1 HIS 16 HD1 HIS 16 -2.164 -12.543 10.532 115 HD2 HIS 16 HD2 HIS 16 -3.891 -9.368 8.499 116 HE1 HIS 16 HE1 HIS 16 -4.589 -12.585 11.159 117 HE2 HIS 16 HE2 HIS 16 -5.639 -10.760 9.785 118 H LEU 17 H LEU 17 1.449 -8.793 8.685 119 HA LEU 17 HA LEU 17 3.183 -10.328 7.080 120 HB2 LEU 17 2HB LEU 17 3.509 -7.562 8.283 121 HB3 LEU 17 3HB LEU 17 4.662 -8.240 7.141 122 HG LEU 17 HG LEU 17 1.721 -7.691 6.549 123 HD11 LEU 17 1HD1 LEU 17 4.177 -6.209 5.571 124 HD12 LEU 17 2HD1 LEU 17 3.014 -5.615 6.757 125 HD13 LEU 17 3HD1 LEU 17 2.503 -5.897 5.094 126 HD21 LEU 17 3HD2 LEU 17 2.553 -9.620 5.280 127 HD22 LEU 17 1HD2 LEU 17 3.915 -8.664 4.691 128 HD23 LEU 17 2HD2 LEU 17 2.266 -8.242 4.227 129 H LYS 18 H LYS 18 3.578 -9.076 10.379 130 HA LYS 18 HA LYS 18 6.219 -10.129 10.778 131 HB2 LYS 18 2HB LYS 18 4.147 -9.126 12.769 132 HB3 LYS 18 3HB LYS 18 5.822 -9.502 13.174 133 HG2 LYS 18 2HG LYS 18 6.578 -7.722 11.599 134 HG3 LYS 18 3HG LYS 18 4.891 -7.337 11.249 135 HD2 LYS 18 2HD LYS 18 5.791 -5.740 12.871 136 HD3 LYS 18 3HD LYS 18 4.537 -6.723 13.629 137 HE2 LYS 18 2HE LYS 18 6.271 -8.113 14.704 138 HE3 LYS 18 3HE LYS 18 7.531 -7.153 13.927 139 HZ1 LYS 18 3HZ LYS 18 6.791 -5.227 15.148 140 HZ2 LYS 18 1HZ LYS 18 7.140 -6.489 16.219 141 HZ3 LYS 18 2HZ LYS 18 5.534 -6.110 15.856 142 H HIS 19 H HIS 19 2.962 -11.327 11.329 143 HA HIS 19 HA HIS 19 3.808 -13.753 12.675 144 HB2 HIS 19 2HB HIS 19 1.109 -12.699 11.778 145 HB3 HIS 19 3HB HIS 19 1.294 -14.334 12.395 146 HD1 HIS 19 HD1 HIS 19 0.282 -14.313 14.650 147 HD2 HIS 19 HD2 HIS 19 2.655 -10.955 14.025 148 HE1 HIS 19 HE1 HIS 19 0.255 -13.050 16.815 149 HE2 HIS 19 HE2 HIS 19 1.640 -10.991 16.395 150 H ASP 20 H ASP 20 4.191 -12.897 9.572 151 HA ASP 20 HA ASP 20 4.878 -14.059 7.760 152 HB2 ASP 20 2HB ASP 20 5.773 -15.808 9.233 153 HB3 ASP 20 3HB ASP 20 4.189 -16.555 9.368 154 H ASN 21 H ASN 21 1.713 -14.013 8.846 155 HA ASN 21 HA ASN 21 0.359 -15.439 6.729 156 HB2 ASN 21 2HB ASN 21 -0.734 -13.406 8.737 157 HB3 ASN 21 3HB ASN 21 -1.703 -14.476 7.727 158 HD21 ASN 21 1HD2 ASN 21 -1.712 -16.747 8.224 159 HD22 ASN 21 2HD2 ASN 21 -1.288 -17.296 9.801 160 H ALA 22 H ALA 22 1.885 -14.070 5.166 161 HA ALA 22 HA ALA 22 1.425 -11.341 4.659 162 HB1 ALA 22 3HB ALA 22 3.486 -12.506 3.979 163 HB2 ALA 22 1HB ALA 22 2.725 -11.711 2.602 164 HB3 ALA 22 2HB ALA 22 2.578 -13.457 2.807 165 H SER 23 H SER 23 -0.013 -14.275 3.278 166 HA SER 23 HA SER 23 -1.560 -13.215 1.228 167 HB2 SER 23 2HB SER 23 -3.012 -15.268 1.580 168 HB3 SER 23 3HB SER 23 -1.287 -15.613 1.458 169 HG SER 23 HG SER 23 -1.484 -16.531 3.316 170 H ARG 24 H ARG 24 -2.503 -13.662 4.687 171 HA ARG 24 HA ARG 24 -5.108 -12.525 4.389 172 HB2 ARG 24 2HB ARG 24 -3.389 -13.131 6.830 173 HB3 ARG 24 3HB ARG 24 -5.013 -12.464 6.957 174 HG2 ARG 24 2HG ARG 24 -4.320 -15.126 5.668 175 HG3 ARG 24 3HG ARG 24 -4.969 -14.917 7.295 176 HD2 ARG 24 2HD ARG 24 -7.012 -13.895 6.346 177 HD3 ARG 24 3HD ARG 24 -6.372 -14.123 4.717 178 HE ARG 24 HE ARG 24 -6.565 -16.558 6.281 179 HH11 ARG 24 1HH1 ARG 24 -8.272 -14.473 4.016 180 HH12 ARG 24 2HH1 ARG 24 -9.407 -15.701 3.560 181 HH21 ARG 24 1HH2 ARG 24 -8.108 -18.144 5.667 182 HH22 ARG 24 2HH2 ARG 24 -9.318 -17.764 4.484 183 H ALA 25 H ALA 25 -1.939 -11.226 5.205 184 HA ALA 25 HA ALA 25 -2.684 -8.589 5.973 185 HB1 ALA 25 3HB ALA 25 -0.442 -9.526 6.394 186 HB2 ALA 25 1HB ALA 25 -0.332 -8.013 5.495 187 HB3 ALA 25 2HB ALA 25 -0.118 -9.559 4.663 188 H LEU 26 H LEU 26 -1.980 -10.114 2.894 189 HA LEU 26 HA LEU 26 -1.858 -7.834 1.206 190 HB2 LEU 26 2HB LEU 26 -0.932 -10.103 0.643 191 HB3 LEU 26 3HB LEU 26 -2.568 -10.716 0.513 192 HG LEU 26 HG LEU 26 -2.941 -9.056 -1.382 193 HD11 LEU 26 1HD1 LEU 26 -1.156 -7.480 -0.894 194 HD12 LEU 26 2HD1 LEU 26 -0.985 -8.128 -2.521 195 HD13 LEU 26 3HD1 LEU 26 0.065 -8.712 -1.226 196 HD21 LEU 26 3HD2 LEU 26 -1.784 -10.417 -3.078 197 HD22 LEU 26 1HD2 LEU 26 -2.560 -11.418 -1.854 198 HD23 LEU 26 2HD2 LEU 26 -0.814 -11.177 -1.816 199 H ALA 27 H ALA 27 -4.359 -10.155 2.026 200 HA ALA 27 HA ALA 27 -6.542 -9.228 0.587 201 HB1 ALA 27 3HB ALA 27 -6.536 -10.502 3.354 202 HB2 ALA 27 1HB ALA 27 -6.495 -11.368 1.816 203 HB3 ALA 27 2HB ALA 27 -7.913 -10.420 2.253 204 H LEU 28 H LEU 28 -5.495 -8.266 3.892 205 HA LEU 28 HA LEU 28 -7.610 -6.439 4.373 206 HB2 LEU 28 2HB LEU 28 -4.862 -6.614 5.647 207 HB3 LEU 28 3HB LEU 28 -6.157 -5.579 6.236 208 HG LEU 28 HG LEU 28 -6.181 -8.617 6.164 209 HD11 LEU 28 1HD1 LEU 28 -6.101 -6.692 8.505 210 HD12 LEU 28 2HD1 LEU 28 -4.773 -7.704 7.934 211 HD13 LEU 28 3HD1 LEU 28 -6.215 -8.453 8.612 212 HD21 LEU 28 3HD2 LEU 28 -8.427 -7.778 5.695 213 HD22 LEU 28 1HD2 LEU 28 -8.360 -6.728 7.115 214 HD23 LEU 28 2HD2 LEU 28 -8.354 -8.484 7.305 215 H PHE 29 H PHE 29 -4.383 -5.944 2.967 216 HA PHE 29 HA PHE 29 -4.533 -3.094 2.899 217 HB2 PHE 29 2HB PHE 29 -2.796 -5.090 1.418 218 HB3 PHE 29 3HB PHE 29 -2.682 -3.366 1.121 219 HD1 PHE 29 HD1 PHE 29 -2.677 -2.072 3.672 220 HD2 PHE 29 HD2 PHE 29 -0.915 -5.823 2.608 221 HE1 PHE 29 HE1 PHE 29 -1.008 -1.807 5.461 222 HE2 PHE 29 HE2 PHE 29 0.740 -5.554 4.403 223 HZ PHE 29 HZ PHE 29 0.699 -3.546 5.834 224 H GLU 30 H GLU 30 -5.198 -5.640 0.485 225 HA GLU 30 HA GLU 30 -6.099 -3.928 -1.595 226 HB2 GLU 30 2HB GLU 30 -6.533 -6.881 -1.033 227 HB3 GLU 30 3HB GLU 30 -7.190 -6.098 -2.464 228 HG2 GLU 30 2HG GLU 30 -4.836 -5.404 -3.070 229 HG3 GLU 30 3HG GLU 30 -4.266 -6.389 -1.723 230 H GLU 31 H GLU 31 -7.662 -5.226 1.241 231 HA GLU 31 HA GLU 31 -10.376 -4.675 0.502 232 HB2 GLU 31 2HB GLU 31 -9.758 -6.367 2.191 233 HB3 GLU 31 3HB GLU 31 -9.017 -5.126 3.185 234 HG2 GLU 31 2HG GLU 31 -11.269 -4.092 3.511 235 HG3 GLU 31 3HG GLU 31 -11.974 -5.425 2.589 236 H LEU 32 H LEU 32 -7.800 -3.030 2.273 237 HA LEU 32 HA LEU 32 -9.082 -0.691 3.085 238 HB2 LEU 32 2HB LEU 32 -6.252 -1.435 2.415 239 HB3 LEU 32 3HB LEU 32 -6.608 0.261 2.645 240 HG LEU 32 HG LEU 32 -7.303 -1.784 4.773 241 HD11 LEU 32 1HD1 LEU 32 -5.181 -1.284 5.889 242 HD12 LEU 32 2HD1 LEU 32 -4.673 -0.287 4.529 243 HD13 LEU 32 3HD1 LEU 32 -4.894 -2.023 4.318 244 HD21 LEU 32 3HD2 LEU 32 -8.380 0.409 4.948 245 HD22 LEU 32 1HD2 LEU 32 -6.805 1.212 4.859 246 HD23 LEU 32 2HD2 LEU 32 -7.205 0.185 6.240 247 H VAL 33 H VAL 33 -7.340 -1.387 0.043 248 HA VAL 33 HA VAL 33 -7.550 1.110 -1.195 249 HB VAL 33 HB VAL 33 -7.393 -1.659 -2.487 250 HG11 VAL 33 1HG1 VAL 33 -8.245 -0.071 -4.159 251 HG12 VAL 33 2HG1 VAL 33 -6.593 -0.539 -4.550 252 HG13 VAL 33 3HG1 VAL 33 -6.912 1.038 -3.822 253 HG21 VAL 33 3HG2 VAL 33 -5.208 0.385 -1.921 254 HG22 VAL 33 1HG2 VAL 33 -4.981 -1.167 -2.732 255 HG23 VAL 33 2HG2 VAL 33 -5.474 -1.120 -1.042 256 H GLU 34 H GLU 34 -9.704 -1.719 -1.514 257 HA GLU 34 HA GLU 34 -11.486 -0.483 -3.335 258 HB2 GLU 34 2HB GLU 34 -12.946 -2.433 -3.007 259 HB3 GLU 34 3HB GLU 34 -11.271 -2.903 -3.259 260 HG2 GLU 34 2HG GLU 34 -10.999 -3.310 -0.859 261 HG3 GLU 34 3HG GLU 34 -12.659 -2.800 -0.564 262 H THR 35 H THR 35 -11.820 -0.915 0.292 263 HA THR 35 HA THR 35 -14.465 0.248 0.256 264 HB THR 35 HB THR 35 -14.389 -0.046 2.731 265 HG1 THR 35 HG1 THR 35 -12.006 -1.451 2.760 266 HG21 THR 35 3HG2 THR 35 -14.222 -2.512 2.806 267 HG22 THR 35 1HG2 THR 35 -13.395 -2.512 1.245 268 HG23 THR 35 2HG2 THR 35 -15.075 -1.988 1.356 269 H ASP 36 H ASP 36 -11.213 1.325 1.003 270 HA ASP 36 HA ASP 36 -12.126 4.099 1.411 271 HB2 ASP 36 2HB ASP 36 -11.711 2.855 3.655 272 HB3 ASP 36 3HB ASP 36 -10.010 2.831 3.210 273 HA PRO 37 HA PRO 37 -8.616 3.850 -1.714 274 HB2 PRO 37 2HB PRO 37 -10.146 6.152 -2.871 275 HB3 PRO 37 3HB PRO 37 -9.532 4.703 -3.676 276 HG2 PRO 37 2HG PRO 37 -12.152 4.985 -3.208 277 HG3 PRO 37 3HG PRO 37 -11.365 3.400 -3.013 278 HD2 PRO 37 2HD PRO 37 -12.109 5.420 -0.892 279 HD3 PRO 37 3HD PRO 37 -12.384 3.660 -0.910 280 H ASP 38 H ASP 38 -9.858 6.215 0.418 281 HA ASP 38 HA ASP 38 -8.146 8.436 -0.146 282 HB2 ASP 38 2HB ASP 38 -9.645 7.846 2.449 283 HB3 ASP 38 3HB ASP 38 -9.112 9.424 1.867 284 H TYR 39 H TYR 39 -7.963 5.600 1.901 285 HA TYR 39 HA TYR 39 -5.943 6.519 3.681 286 HB2 TYR 39 2HB TYR 39 -7.640 4.514 3.948 287 HB3 TYR 39 3HB TYR 39 -6.399 3.567 3.134 288 HD1 TYR 39 HD2 TYR 39 -4.222 3.132 4.268 289 HD2 TYR 39 HD1 TYR 39 -7.299 5.356 6.225 290 HE1 TYR 39 HE2 TYR 39 -3.063 2.859 6.402 291 HE2 TYR 39 HE1 TYR 39 -6.128 5.091 8.366 292 HH TYR 39 HH TYR 39 -2.923 3.901 8.551 293 H VAL 40 H VAL 40 -4.257 7.340 2.597 294 HA VAL 40 HA VAL 40 -2.956 6.238 0.315 295 HB VAL 40 HB VAL 40 -1.837 8.287 2.283 296 HG11 VAL 40 1HG1 VAL 40 -1.125 7.760 -0.622 297 HG12 VAL 40 2HG1 VAL 40 -0.116 7.417 0.785 298 HG13 VAL 40 3HG1 VAL 40 -0.498 9.085 0.360 299 HG21 VAL 40 3HG2 VAL 40 -4.050 9.013 1.482 300 HG22 VAL 40 1HG2 VAL 40 -3.534 8.792 -0.192 301 HG23 VAL 40 2HG2 VAL 40 -2.779 10.032 0.809 302 H GLY 41 H GLY 41 -2.454 5.889 3.754 303 HA2 GLY 41 2HA GLY 41 0.189 4.932 3.904 304 HA3 GLY 41 3HA GLY 41 -1.088 4.622 5.071 305 H THR 42 H THR 42 -2.820 3.312 3.097 306 HA THR 42 HA THR 42 -2.111 0.628 3.215 307 HB THR 42 HB THR 42 -3.845 2.042 1.142 308 HG1 THR 42 HG1 THR 42 -5.319 2.092 2.628 309 HG21 THR 42 3HG2 THR 42 -3.751 -0.893 1.941 310 HG22 THR 42 1HG2 THR 42 -3.255 -0.221 0.385 311 HG23 THR 42 2HG2 THR 42 -4.948 -0.165 0.870 312 H TYR 43 H TYR 43 -1.798 2.920 0.505 313 HA TYR 43 HA TYR 43 -1.194 1.012 -1.445 314 HB2 TYR 43 2HB TYR 43 -0.745 4.020 -1.411 315 HB3 TYR 43 3HB TYR 43 -0.534 3.025 -2.850 316 HD1 TYR 43 HD2 TYR 43 -2.492 2.026 -3.984 317 HD2 TYR 43 HD1 TYR 43 -3.028 4.498 -0.542 318 HE1 TYR 43 HE2 TYR 43 -4.874 2.232 -4.503 319 HE2 TYR 43 HE1 TYR 43 -5.419 4.695 -1.071 320 HH TYR 43 HH TYR 43 -6.897 4.498 -2.931 321 H TYR 44 H TYR 44 1.000 3.210 0.309 322 HA TYR 44 HA TYR 44 3.419 2.488 -0.746 323 HB2 TYR 44 2HB TYR 44 2.866 4.326 0.940 324 HB3 TYR 44 3HB TYR 44 2.909 3.098 2.198 325 HD1 TYR 44 HD1 TYR 44 5.027 4.510 -0.570 326 HD2 TYR 44 HD2 TYR 44 4.977 2.722 3.310 327 HE1 TYR 44 HE1 TYR 44 7.437 4.890 -0.362 328 HE2 TYR 44 HE2 TYR 44 7.392 3.111 3.517 329 HH TYR 44 HH TYR 44 9.071 5.203 1.549 330 H HIS 45 H HIS 45 1.978 1.115 2.207 331 HA HIS 45 HA HIS 45 3.966 -0.879 2.627 332 HB2 HIS 45 2HB HIS 45 1.171 -0.612 3.809 333 HB3 HIS 45 3HB HIS 45 2.372 -1.771 4.372 334 HD1 HIS 45 HD1 HIS 45 3.650 -0.954 6.344 335 HD2 HIS 45 HD2 HIS 45 2.355 2.184 3.972 336 HE1 HIS 45 HE1 HIS 45 4.414 1.128 7.501 337 HE2 HIS 45 HE2 HIS 45 3.438 3.005 6.150 338 H LEU 46 H LEU 46 0.962 -0.932 0.860 339 HA LEU 46 HA LEU 46 0.725 -3.776 0.552 340 HB2 LEU 46 2HB LEU 46 -1.278 -2.416 0.388 341 HB3 LEU 46 3HB LEU 46 -0.576 -1.440 -0.890 342 HG LEU 46 HG LEU 46 -0.741 -3.290 -2.481 343 HD11 LEU 46 1HD1 LEU 46 -1.845 -4.997 -0.233 344 HD12 LEU 46 2HD1 LEU 46 -0.287 -5.199 -1.034 345 HD13 LEU 46 3HD1 LEU 46 -1.777 -5.443 -1.938 346 HD21 LEU 46 3HD2 LEU 46 -3.180 -3.526 -2.637 347 HD22 LEU 46 1HD2 LEU 46 -2.713 -1.871 -2.249 348 HD23 LEU 46 2HD2 LEU 46 -3.354 -2.926 -0.986 349 H GLY 47 H GLY 47 2.104 -1.106 -1.312 350 HA2 GLY 47 2HA GLY 47 2.809 -2.533 -3.660 351 HA3 GLY 47 3HA GLY 47 3.494 -1.013 -3.111 352 H LYS 48 H LYS 48 4.526 -1.815 -0.635 353 HA LYS 48 HA LYS 48 7.027 -2.958 -1.287 354 HB2 LYS 48 2HB LYS 48 5.703 -2.645 1.445 355 HB3 LYS 48 3HB LYS 48 7.399 -3.060 1.195 356 HG2 LYS 48 2HG LYS 48 6.024 -0.468 0.444 357 HG3 LYS 48 3HG LYS 48 7.230 -0.705 1.715 358 HD2 LYS 48 2HD LYS 48 8.924 -1.268 -0.007 359 HD3 LYS 48 3HD LYS 48 7.716 -1.052 -1.276 360 HE2 LYS 48 2HE LYS 48 9.093 0.926 -1.173 361 HE3 LYS 48 3HE LYS 48 7.484 1.338 -0.569 362 HZ1 LYS 48 3HZ LYS 48 9.204 2.268 0.820 363 HZ2 LYS 48 1HZ LYS 48 9.870 0.739 1.088 364 HZ3 LYS 48 2HZ LYS 48 8.333 1.107 1.686 365 H LEU 49 H LEU 49 4.109 -4.324 0.160 366 HA LEU 49 HA LEU 49 5.091 -6.941 0.639 367 HB2 LEU 49 2HB LEU 49 3.108 -6.102 1.776 368 HB3 LEU 49 3HB LEU 49 2.265 -5.894 0.250 369 HG LEU 49 HG LEU 49 2.073 -8.304 -0.057 370 HD11 LEU 49 1HD1 LEU 49 4.209 -9.070 0.825 371 HD12 LEU 49 2HD1 LEU 49 2.890 -9.937 1.601 372 HD13 LEU 49 3HD1 LEU 49 3.721 -8.648 2.468 373 HD21 LEU 49 3HD2 LEU 49 0.347 -7.225 1.324 374 HD22 LEU 49 1HD2 LEU 49 1.289 -7.551 2.783 375 HD23 LEU 49 2HD2 LEU 49 0.624 -8.885 1.839 376 H TYR 50 H TYR 50 3.337 -5.488 -2.111 377 HA TYR 50 HA TYR 50 3.142 -7.685 -3.790 378 HB2 TYR 50 2HB TYR 50 3.328 -4.720 -4.326 379 HB3 TYR 50 3HB TYR 50 3.418 -5.828 -5.689 380 HD1 TYR 50 HD2 TYR 50 1.453 -7.924 -4.818 381 HD2 TYR 50 HD1 TYR 50 1.209 -3.659 -4.661 382 HE1 TYR 50 HE2 TYR 50 -0.991 -8.061 -4.939 383 HE2 TYR 50 HE1 TYR 50 -1.240 -3.804 -4.787 384 HH TYR 50 HH TYR 50 -2.923 -6.767 -4.388 385 H GLU 51 H GLU 51 5.869 -5.381 -3.529 386 HA GLU 51 HA GLU 51 7.518 -6.495 -5.505 387 HB2 GLU 51 2HB GLU 51 8.319 -5.052 -2.950 388 HB3 GLU 51 3HB GLU 51 9.410 -5.387 -4.293 389 HG2 GLU 51 2HG GLU 51 7.953 -4.004 -5.777 390 HG3 GLU 51 3HG GLU 51 6.949 -3.616 -4.381 391 H ARG 52 H ARG 52 7.125 -7.366 -2.101 392 HA ARG 52 HA ARG 52 9.198 -9.324 -1.947 393 HB2 ARG 52 2HB ARG 52 6.712 -8.915 -0.233 394 HB3 ARG 52 3HB ARG 52 7.986 -10.072 0.145 395 HG2 ARG 52 2HG ARG 52 9.614 -8.214 0.329 396 HG3 ARG 52 3HG ARG 52 8.328 -7.060 -0.031 397 HD2 ARG 52 2HD ARG 52 7.154 -7.666 2.019 398 HD3 ARG 52 3HD ARG 52 8.338 -8.936 2.365 399 HE ARG 52 HE ARG 52 8.797 -6.023 2.473 400 HH11 ARG 52 1HH1 ARG 52 9.945 -9.255 3.258 401 HH12 ARG 52 2HH1 ARG 52 11.186 -8.675 4.322 402 HH21 ARG 52 1HH2 ARG 52 10.452 -5.300 3.858 403 HH22 ARG 52 2HH2 ARG 52 11.478 -6.456 4.644 404 H LEU 53 H LEU 53 5.776 -9.467 -2.828 405 HA LEU 53 HA LEU 53 5.735 -12.351 -3.174 406 HB2 LEU 53 2HB LEU 53 3.696 -10.219 -3.894 407 HB3 LEU 53 3HB LEU 53 3.402 -11.952 -3.928 408 HG LEU 53 HG LEU 53 4.009 -10.320 -1.425 409 HD11 LEU 53 1HD1 LEU 53 1.812 -9.778 -2.316 410 HD12 LEU 53 2HD1 LEU 53 1.666 -10.691 -0.817 411 HD13 LEU 53 3HD1 LEU 53 1.381 -11.489 -2.365 412 HD21 LEU 53 3HD2 LEU 53 4.840 -12.626 -1.206 413 HD22 LEU 53 1HD2 LEU 53 3.256 -13.260 -1.673 414 HD23 LEU 53 2HD2 LEU 53 3.446 -12.358 -0.166 415 H ASP 54 H ASP 54 7.419 -10.327 -4.958 416 HA ASP 54 HA ASP 54 8.249 -10.234 -7.054 417 HB2 ASP 54 2HB ASP 54 8.308 -12.749 -6.789 418 HB3 ASP 54 3HB ASP 54 6.741 -12.836 -7.582 419 H ARG 55 H ARG 55 5.461 -9.295 -6.377 420 HA ARG 55 HA ARG 55 4.280 -8.830 -9.036 421 HB2 ARG 55 2HB ARG 55 3.152 -8.165 -6.268 422 HB3 ARG 55 3HB ARG 55 2.285 -8.082 -7.795 423 HG2 ARG 55 2HG ARG 55 3.253 -10.602 -6.409 424 HG3 ARG 55 3HG ARG 55 1.587 -10.024 -6.501 425 HD2 ARG 55 2HD ARG 55 3.306 -10.971 -8.814 426 HD3 ARG 55 3HD ARG 55 1.939 -11.829 -8.101 427 HE ARG 55 HE ARG 55 1.296 -9.209 -9.132 428 HH11 ARG 55 1HH1 ARG 55 1.386 -12.637 -9.890 429 HH12 ARG 55 2HH1 ARG 55 0.467 -12.450 -11.351 430 HH21 ARG 55 1HH2 ARG 55 0.126 -8.984 -11.043 431 HH22 ARG 55 2HH2 ARG 55 -0.280 -10.383 -11.986 432 H THR 56 H THR 56 6.725 -7.546 -8.584 433 HA THR 56 HA THR 56 6.674 -5.042 -7.299 434 HB THR 56 HB THR 56 8.484 -5.905 -9.600 435 HG1 THR 56 HG1 THR 56 9.792 -6.352 -7.469 436 HG21 THR 56 3HG2 THR 56 8.718 -3.503 -9.041 437 HG22 THR 56 1HG2 THR 56 10.156 -4.403 -8.553 438 HG23 THR 56 2HG2 THR 56 8.968 -3.915 -7.343 439 H ASP 57 H ASP 57 5.827 -5.978 -10.595 440 HA ASP 57 HA ASP 57 5.508 -3.376 -11.713 441 HB2 ASP 57 2HB ASP 57 5.695 -5.340 -13.164 442 HB3 ASP 57 3HB ASP 57 4.240 -6.047 -12.461 443 H ASP 58 H ASP 58 3.300 -5.596 -10.075 444 HA ASP 58 HA ASP 58 0.908 -4.067 -10.255 445 HB2 ASP 58 2HB ASP 58 1.700 -6.086 -8.106 446 HB3 ASP 58 3HB ASP 58 0.060 -5.528 -8.441 447 H ALA 59 H ALA 59 3.597 -4.098 -7.996 448 HA ALA 59 HA ALA 59 2.662 -2.389 -5.995 449 HB1 ALA 59 3HB ALA 59 4.760 -3.675 -5.795 450 HB2 ALA 59 1HB ALA 59 5.026 -1.958 -5.479 451 HB3 ALA 59 2HB ALA 59 5.508 -2.658 -7.028 452 H ILE 60 H ILE 60 4.239 -1.693 -9.111 453 HA ILE 60 HA ILE 60 4.552 1.099 -8.896 454 HB ILE 60 HB ILE 60 3.903 -0.364 -11.499 455 HG12 ILE 60 2HG1 ILE 60 5.754 -1.572 -10.482 456 HG13 ILE 60 3HG1 ILE 60 6.410 -0.594 -11.790 457 HG21 ILE 60 1HG2 ILE 60 5.436 2.225 -11.024 458 HG22 ILE 60 2HG2 ILE 60 3.826 2.070 -11.721 459 HG23 ILE 60 3HG2 ILE 60 5.219 1.436 -12.593 460 HD11 ILE 60 3HD1 ILE 60 7.156 1.070 -10.120 461 HD12 ILE 60 1HD1 ILE 60 7.859 -0.529 -9.896 462 HD13 ILE 60 2HD1 ILE 60 6.558 0.007 -8.839 463 H ASP 61 H ASP 61 1.840 -0.839 -10.057 464 HA ASP 61 HA ASP 61 0.124 1.267 -10.868 465 HB2 ASP 61 2HB ASP 61 -0.175 -1.086 -11.611 466 HB3 ASP 61 3HB ASP 61 -0.589 -1.557 -9.966 467 H THR 62 H THR 62 0.488 -0.498 -7.807 468 HA THR 62 HA THR 62 -1.674 0.627 -6.374 469 HB THR 62 HB THR 62 0.955 -0.400 -5.196 470 HG1 THR 62 HG1 THR 62 0.402 -2.208 -6.112 471 HG21 THR 62 3HG2 THR 62 -0.561 0.647 -3.535 472 HG22 THR 62 1HG2 THR 62 -0.440 -1.095 -3.281 473 HG23 THR 62 2HG2 THR 62 -1.872 -0.414 -4.062 474 H TYR 63 H TYR 63 1.703 1.586 -6.722 475 HA TYR 63 HA TYR 63 1.690 3.771 -4.897 476 HB2 TYR 63 2HB TYR 63 3.550 3.227 -7.244 477 HB3 TYR 63 3HB TYR 63 3.814 4.487 -6.038 478 HD1 TYR 63 HD1 TYR 63 3.128 3.010 -3.514 479 HD2 TYR 63 HD2 TYR 63 5.386 1.747 -6.916 480 HE1 TYR 63 HE1 TYR 63 4.374 1.435 -2.111 481 HE2 TYR 63 HE2 TYR 63 6.625 0.171 -5.503 482 HH TYR 63 HH TYR 63 7.140 -0.299 -3.290 483 H ALA 64 H ALA 64 1.251 3.552 -8.434 484 HA ALA 64 HA ALA 64 1.029 6.295 -9.035 485 HB1 ALA 64 3HB ALA 64 0.083 5.562 -11.175 486 HB2 ALA 64 1HB ALA 64 -0.191 3.946 -10.515 487 HB3 ALA 64 2HB ALA 64 1.458 4.543 -10.732 488 H GLN 65 H GLN 65 -1.497 3.866 -8.442 489 HA GLN 65 HA GLN 65 -3.778 5.508 -8.637 490 HB2 GLN 65 2HB GLN 65 -3.382 2.815 -8.328 491 HB3 GLN 65 3HB GLN 65 -3.808 3.207 -6.672 492 HG2 GLN 65 2HG GLN 65 -5.638 4.205 -8.825 493 HG3 GLN 65 3HG GLN 65 -5.602 2.475 -8.553 494 HE21 GLN 65 1HE2 GLN 65 -5.345 4.922 -5.971 495 HE22 GLN 65 2HE2 GLN 65 -6.830 4.516 -5.223 496 H GLY 66 H GLY 66 -1.691 4.600 -5.957 497 HA2 GLY 66 2HA GLY 66 -2.842 6.025 -3.860 498 HA3 GLY 66 3HA GLY 66 -1.154 5.564 -3.988 499 H ILE 67 H ILE 67 -0.583 7.138 -6.373 500 HA ILE 67 HA ILE 67 0.296 9.525 -5.136 501 HB ILE 67 HB ILE 67 0.252 8.507 -7.995 502 HG12 ILE 67 2HG1 ILE 67 2.592 9.303 -6.200 503 HG13 ILE 67 3HG1 ILE 67 1.927 7.679 -6.296 504 HG21 ILE 67 1HG2 ILE 67 1.535 10.474 -8.809 505 HG22 ILE 67 2HG2 ILE 67 1.233 11.291 -7.275 506 HG23 ILE 67 3HG2 ILE 67 -0.115 10.895 -8.340 507 HD11 ILE 67 3HD1 ILE 67 3.933 7.891 -7.596 508 HD12 ILE 67 1HD1 ILE 67 3.222 9.191 -8.550 509 HD13 ILE 67 2HD1 ILE 67 2.558 7.556 -8.646 510 H GLU 68 H GLU 68 -2.474 8.804 -7.149 511 HA GLU 68 HA GLU 68 -3.522 11.348 -7.691 512 HB2 GLU 68 2HB GLU 68 -4.997 8.712 -7.184 513 HB3 GLU 68 3HB GLU 68 -5.667 10.111 -8.022 514 HG2 GLU 68 2HG GLU 68 -3.253 8.551 -8.984 515 HG3 GLU 68 3HG GLU 68 -4.898 8.233 -9.509 516 H VAL 69 H VAL 69 -4.134 9.087 -5.044 517 HA VAL 69 HA VAL 69 -5.877 10.930 -3.610 518 HB VAL 69 HB VAL 69 -6.273 9.162 -2.010 519 HG11 VAL 69 1HG1 VAL 69 -6.251 8.019 -4.834 520 HG12 VAL 69 2HG1 VAL 69 -7.523 9.013 -4.121 521 HG13 VAL 69 3HG1 VAL 69 -7.209 7.400 -3.483 522 HG21 VAL 69 3HG2 VAL 69 -4.123 7.504 -3.381 523 HG22 VAL 69 1HG2 VAL 69 -5.169 6.962 -2.064 524 HG23 VAL 69 2HG2 VAL 69 -3.987 8.243 -1.786 525 H ALA 70 H ALA 70 -2.478 10.274 -3.645 526 HA ALA 70 HA ALA 70 -1.881 10.753 -0.881 527 HB1 ALA 70 3HB ALA 70 -0.025 10.828 -3.283 528 HB2 ALA 70 1HB ALA 70 -0.393 9.400 -2.312 529 HB3 ALA 70 2HB ALA 70 0.465 10.759 -1.587 530 H ARG 71 H ARG 71 -1.629 12.653 -3.859 531 HA ARG 71 HA ARG 71 -0.626 15.010 -2.643 532 HB2 ARG 71 2HB ARG 71 -1.061 16.065 -4.813 533 HB3 ARG 71 3HB ARG 71 -0.306 14.490 -5.013 534 HG2 ARG 71 2HG ARG 71 -2.725 13.611 -5.394 535 HG3 ARG 71 3HG ARG 71 -3.146 15.312 -5.614 536 HD2 ARG 71 2HD ARG 71 -1.302 13.594 -7.286 537 HD3 ARG 71 3HD ARG 71 -2.744 14.478 -7.791 538 HE ARG 71 HE ARG 71 -1.392 16.557 -7.270 539 HH11 ARG 71 1HH1 ARG 71 0.128 13.593 -8.379 540 HH12 ARG 71 2HH1 ARG 71 1.507 14.406 -9.038 541 HH21 ARG 71 1HH2 ARG 71 0.464 17.598 -8.117 542 HH22 ARG 71 2HH2 ARG 71 1.707 16.649 -8.868 543 H GLU 72 H GLU 72 -3.943 13.895 -3.290 544 HA GLU 72 HA GLU 72 -5.121 16.495 -2.643 545 HB2 GLU 72 2HB GLU 72 -6.441 13.859 -3.416 546 HB3 GLU 72 3HB GLU 72 -7.277 15.402 -3.240 547 HG2 GLU 72 2HG GLU 72 -5.923 16.333 -5.093 548 HG3 GLU 72 3HG GLU 72 -5.119 14.776 -5.282 549 H GLU 73 H GLU 73 -5.399 13.144 -1.408 550 HA GLU 73 HA GLU 73 -6.940 13.996 0.905 551 HB2 GLU 73 2HB GLU 73 -6.032 11.195 0.126 552 HB3 GLU 73 3HB GLU 73 -7.216 11.589 1.370 553 HG2 GLU 73 2HG GLU 73 -7.486 11.925 -1.626 554 HG3 GLU 73 3HG GLU 73 -8.426 10.870 -0.570 555 H GLY 74 H GLY 74 -3.689 12.762 0.242 556 HA2 GLY 74 2HA GLY 74 -2.968 12.888 3.104 557 HA3 GLY 74 3HA GLY 74 -2.033 12.145 1.812 558 H THR 75 H THR 75 -0.313 13.443 2.885 559 HA THR 75 HA THR 75 -0.223 16.289 2.132 560 HB THR 75 HB THR 75 1.869 16.313 3.510 561 HG1 THR 75 HG1 THR 75 1.210 13.641 4.251 562 HG21 THR 75 3HG2 THR 75 -0.267 16.829 4.625 563 HG22 THR 75 1HG2 THR 75 0.835 15.987 5.718 564 HG23 THR 75 2HG2 THR 75 -0.506 15.115 4.974 565 H GLN 76 H GLN 76 2.021 17.039 1.294 566 HA GLN 76 HA GLN 76 2.810 15.719 -1.095 567 HB2 GLN 76 2HB GLN 76 3.079 18.157 -0.731 568 HB3 GLN 76 3HB GLN 76 4.281 17.852 0.514 569 HG2 GLN 76 2HG GLN 76 5.802 16.891 -1.167 570 HG3 GLN 76 3HG GLN 76 4.584 17.123 -2.420 571 HE21 GLN 76 1HE2 GLN 76 6.063 18.394 -3.618 572 HE22 GLN 76 2HE2 GLN 76 6.432 20.021 -3.171 573 H LYS 77 H LYS 77 3.799 15.375 2.221 574 HA LYS 77 HA LYS 77 6.217 13.952 1.925 575 HB2 LYS 77 2HB LYS 77 5.534 14.814 4.083 576 HB3 LYS 77 3HB LYS 77 4.057 13.867 4.076 577 HG2 LYS 77 2HG LYS 77 6.693 12.408 4.027 578 HG3 LYS 77 3HG LYS 77 6.188 13.164 5.534 579 HD2 LYS 77 2HD LYS 77 4.137 11.826 5.568 580 HD3 LYS 77 3HD LYS 77 4.518 11.139 3.989 581 HE2 LYS 77 2HE LYS 77 6.523 10.058 4.954 582 HE3 LYS 77 3HE LYS 77 6.121 10.734 6.535 583 HZ1 LYS 77 3HZ LYS 77 4.353 8.921 5.005 584 HZ2 LYS 77 1HZ LYS 77 4.133 9.452 6.594 585 HZ3 LYS 77 2HZ LYS 77 5.407 8.406 6.214 586 H ASP 78 H ASP 78 2.821 12.810 2.128 587 HA ASP 78 HA ASP 78 3.332 10.023 1.832 588 HB2 ASP 78 2HB ASP 78 0.806 11.617 1.218 589 HB3 ASP 78 3HB ASP 78 0.886 9.860 1.213 590 H LEU 79 H LEU 79 2.521 12.572 -0.436 591 HA LEU 79 HA LEU 79 2.331 11.143 -2.820 592 HB2 LEU 79 2HB LEU 79 1.641 13.506 -2.539 593 HB3 LEU 79 3HB LEU 79 3.321 13.984 -2.336 594 HG LEU 79 HG LEU 79 3.772 13.255 -4.699 595 HD11 LEU 79 1HD1 LEU 79 2.011 11.602 -4.976 596 HD12 LEU 79 2HD1 LEU 79 1.882 12.842 -6.219 597 HD13 LEU 79 3HD1 LEU 79 0.773 12.855 -4.847 598 HD21 LEU 79 3HD2 LEU 79 2.673 15.167 -5.794 599 HD22 LEU 79 1HD2 LEU 79 3.343 15.621 -4.228 600 HD23 LEU 79 2HD2 LEU 79 1.605 15.365 -4.404 601 H SER 80 H SER 80 5.145 12.682 -1.282 602 HA SER 80 HA SER 80 7.050 12.153 -3.279 603 HB2 SER 80 2HB SER 80 7.345 13.895 -1.524 604 HB3 SER 80 3HB SER 80 7.510 12.634 -0.305 605 HG SER 80 HG SER 80 9.204 12.592 -2.549 606 H GLU 81 H GLU 81 5.986 10.301 -0.470 607 HA GLU 81 HA GLU 81 7.965 8.290 -0.430 608 HB2 GLU 81 2HB GLU 81 5.042 8.239 0.443 609 HB3 GLU 81 3HB GLU 81 6.159 6.919 0.748 610 HG2 GLU 81 2HG GLU 81 6.386 9.733 1.833 611 HG3 GLU 81 3HG GLU 81 5.863 8.311 2.729 612 H LEU 82 H LEU 82 4.803 8.433 -2.076 613 HA LEU 82 HA LEU 82 4.969 5.774 -3.155 614 HB2 LEU 82 2HB LEU 82 3.117 8.084 -3.802 615 HB3 LEU 82 3HB LEU 82 2.921 6.454 -4.442 616 HG LEU 82 HG LEU 82 2.840 7.178 -1.486 617 HD11 LEU 82 1HD1 LEU 82 0.565 6.530 -3.359 618 HD12 LEU 82 2HD1 LEU 82 0.915 8.093 -2.624 619 HD13 LEU 82 3HD1 LEU 82 0.438 6.737 -1.612 620 HD21 LEU 82 3HD2 LEU 82 2.021 4.897 -1.131 621 HD22 LEU 82 1HD2 LEU 82 3.632 4.886 -1.843 622 HD23 LEU 82 2HD2 LEU 82 2.222 4.536 -2.848 623 H GLN 83 H GLN 83 5.661 8.979 -4.427 624 HA GLN 83 HA GLN 83 6.046 8.239 -7.156 625 HB2 GLN 83 2HB GLN 83 7.037 10.646 -5.568 626 HB3 GLN 83 3HB GLN 83 7.254 10.464 -7.307 627 HG2 GLN 83 2HG GLN 83 4.802 10.426 -7.610 628 HG3 GLN 83 3HG GLN 83 4.584 10.614 -5.873 629 HE21 GLN 83 1HE2 GLN 83 6.736 12.575 -5.573 630 HE22 GLN 83 2HE2 GLN 83 6.149 14.043 -6.259 631 H ASP 84 H ASP 84 8.196 8.593 -4.360 632 HA ASP 84 HA ASP 84 10.625 8.035 -5.756 633 HB2 ASP 84 2HB ASP 84 10.490 9.254 -3.557 634 HB3 ASP 84 3HB ASP 84 10.035 7.745 -2.783 635 H ALA 85 H ALA 85 8.285 6.085 -3.957 636 HA ALA 85 HA ALA 85 9.765 3.679 -3.793 637 HB1 ALA 85 3HB ALA 85 7.630 2.635 -3.145 638 HB2 ALA 85 1HB ALA 85 6.749 4.069 -3.689 639 HB3 ALA 85 2HB ALA 85 7.846 4.175 -2.312 640 H LYS 86 H LYS 86 7.313 4.823 -6.152 641 HA LYS 86 HA LYS 86 7.314 2.435 -7.671 642 HB2 LYS 86 2HB LYS 86 6.123 3.620 -9.428 643 HB3 LYS 86 3HB LYS 86 5.436 3.991 -7.856 644 HG2 LYS 86 2HG LYS 86 6.418 6.188 -7.855 645 HG3 LYS 86 3HG LYS 86 7.355 5.831 -9.306 646 HD2 LYS 86 2HD LYS 86 4.319 6.004 -9.163 647 HD3 LYS 86 3HD LYS 86 5.392 7.251 -9.795 648 HE2 LYS 86 2HE LYS 86 6.171 5.634 -11.544 649 HE3 LYS 86 3HE LYS 86 4.982 4.472 -10.951 650 HZ1 LYS 86 3HZ LYS 86 4.407 7.148 -12.106 651 HZ2 LYS 86 1HZ LYS 86 3.245 6.097 -11.470 652 HZ3 LYS 86 2HZ LYS 86 4.128 5.651 -12.840 653 H LEU 87 H LEU 87 9.234 5.486 -8.060 654 HA LEU 87 HA LEU 87 10.236 4.769 -10.615 655 HB2 LEU 87 2HB LEU 87 11.867 6.595 -10.391 656 HB3 LEU 87 3HB LEU 87 10.245 7.080 -9.966 657 HG LEU 87 HG LEU 87 11.042 6.776 -7.478 658 HD11 LEU 87 1HD1 LEU 87 13.748 7.103 -8.804 659 HD12 LEU 87 2HD1 LEU 87 13.193 5.701 -7.885 660 HD13 LEU 87 3HD1 LEU 87 13.415 7.248 -7.075 661 HD21 LEU 87 3HD2 LEU 87 12.002 9.108 -9.171 662 HD22 LEU 87 1HD2 LEU 87 11.855 9.114 -7.411 663 HD23 LEU 87 2HD2 LEU 87 10.420 8.936 -8.412 664 H LYS 88 H LYS 88 11.506 4.120 -7.357 665 HA LYS 88 HA LYS 88 13.945 2.962 -8.319 666 HB2 LYS 88 2HB LYS 88 14.342 2.223 -6.007 667 HB3 LYS 88 3HB LYS 88 13.855 3.902 -6.080 668 HG2 LYS 88 2HG LYS 88 12.676 3.208 -4.228 669 HG3 LYS 88 3HG LYS 88 11.464 2.978 -5.488 670 HD2 LYS 88 2HD LYS 88 12.031 0.557 -5.565 671 HD3 LYS 88 3HD LYS 88 13.232 0.808 -4.293 672 HE2 LYS 88 2HE LYS 88 11.441 1.505 -2.737 673 HE3 LYS 88 3HE LYS 88 10.241 1.291 -4.016 674 HZ1 LYS 88 3HZ LYS 88 11.911 -0.816 -2.771 675 HZ2 LYS 88 1HZ LYS 88 10.911 -1.070 -4.111 676 HZ3 LYS 88 2HZ LYS 88 10.238 -0.627 -2.627 677 H ALA 89 H ALA 89 10.740 1.631 -7.504 678 HA ALA 89 HA ALA 89 11.452 -1.126 -7.773 679 HB1 ALA 89 3HB ALA 89 9.535 -0.403 -6.429 680 HB2 ALA 89 1HB ALA 89 9.014 -1.509 -7.703 681 HB3 ALA 89 2HB ALA 89 8.735 0.228 -7.872 682 H GLU 90 H GLU 90 10.295 1.324 -10.028 683 HA GLU 90 HA GLU 90 9.967 -0.334 -12.330 684 HB2 GLU 90 2HB GLU 90 10.510 2.654 -12.069 685 HB3 GLU 90 3HB GLU 90 10.227 1.855 -13.614 686 HG2 GLU 90 2HG GLU 90 7.980 1.241 -12.932 687 HG3 GLU 90 3HG GLU 90 8.251 1.898 -11.324 688 H GLY 91 H GLY 91 12.677 1.277 -10.788 689 HA2 GLY 91 2HA GLY 91 14.636 0.851 -12.835 690 HA3 GLY 91 3HA GLY 91 14.937 1.235 -11.148 691 H LEU 92 H LEU 92 13.324 -1.136 -10.278 692 HA LEU 92 HA LEU 92 15.379 -3.165 -10.310 693 HB2 LEU 92 2HB LEU 92 12.503 -3.313 -9.309 694 HB3 LEU 92 3HB LEU 92 13.756 -4.502 -8.976 695 HG LEU 92 HG LEU 92 13.763 -1.614 -8.018 696 HD11 LEU 92 1HD1 LEU 92 12.065 -2.932 -6.873 697 HD12 LEU 92 2HD1 LEU 92 13.386 -2.513 -5.781 698 HD13 LEU 92 3HD1 LEU 92 13.274 -4.149 -6.442 699 HD21 LEU 92 3HD2 LEU 92 15.752 -3.831 -7.412 700 HD22 LEU 92 1HD2 LEU 92 15.728 -2.231 -6.668 701 HD23 LEU 92 2HD2 LEU 92 16.057 -2.393 -8.387 702 H GLU 93 H GLU 93 12.073 -2.901 -11.606 703 HA GLU 93 HA GLU 93 12.524 -5.149 -13.467 704 HB2 GLU 93 2HB GLU 93 9.967 -3.649 -12.735 705 HB3 GLU 93 3HB GLU 93 10.067 -5.014 -13.841 706 HG2 GLU 93 2HG GLU 93 10.653 -5.069 -10.864 707 HG3 GLU 93 3HG GLU 93 9.242 -5.752 -11.674 708 H HIS 94 H HIS 94 14.090 -3.067 -14.097 709 HA HIS 94 HA HIS 94 12.845 -1.013 -15.649 710 HB2 HIS 94 2HB HIS 94 15.063 -0.853 -14.337 711 HB3 HIS 94 3HB HIS 94 15.813 -1.669 -15.701 712 HD1 HIS 94 HD1 HIS 94 16.439 -0.236 -17.656 713 HD2 HIS 94 HD2 HIS 94 13.901 1.720 -15.028 714 HE1 HIS 94 HE1 HIS 94 16.309 2.118 -18.488 715 HE2 HIS 94 HE2 HIS 94 14.632 3.229 -16.980 716 H HIS 95 H HIS 95 12.687 -0.766 -17.803 717 HA HIS 95 HA HIS 95 13.885 -2.472 -19.766 718 HB2 HIS 95 2HB HIS 95 12.136 -4.029 -18.990 719 HB3 HIS 95 3HB HIS 95 10.904 -2.790 -19.180 720 HD1 HIS 95 HD1 HIS 95 9.510 -3.281 -21.165 721 HD2 HIS 95 HD2 HIS 95 13.457 -4.434 -21.756 722 HE1 HIS 95 HE1 HIS 95 9.602 -4.221 -23.487 723 HE2 HIS 95 HE2 HIS 95 11.929 -5.137 -23.706 724 H HIS 96 H HIS 96 13.677 -1.552 -21.850 725 HA HIS 96 HA HIS 96 12.956 1.255 -21.861 726 HB2 HIS 96 2HB HIS 96 14.016 1.357 -24.065 727 HB3 HIS 96 3HB HIS 96 15.046 0.516 -22.920 728 HD1 HIS 96 HD1 HIS 96 13.005 -0.030 -26.020 729 HD2 HIS 96 HD2 HIS 96 15.611 -2.159 -23.593 730 HE1 HIS 96 HE1 HIS 96 13.622 -2.076 -27.324 731 HE2 HIS 96 HE2 HIS 96 15.096 -3.405 -25.788 732 H HIS 97 H HIS 97 10.751 -0.745 -21.744 733 HA HIS 97 HA HIS 97 8.914 0.851 -23.299 734 HB2 HIS 97 2HB HIS 97 9.557 -1.099 -24.835 735 HB3 HIS 97 3HB HIS 97 8.879 -2.191 -23.640 736 HD1 HIS 97 HD1 HIS 97 6.485 -2.768 -23.983 737 HD2 HIS 97 HD2 HIS 97 7.489 0.761 -25.908 738 HE1 HIS 97 HE1 HIS 97 4.451 -2.123 -25.286 739 HE2 HIS 97 HE2 HIS 97 5.108 -0.027 -26.513 740 H HIS 98 H HIS 98 9.699 0.457 -20.525 741 HA HIS 98 HA HIS 98 7.137 -0.111 -19.236 742 HB2 HIS 98 2HB HIS 98 8.184 -2.363 -19.301 743 HB3 HIS 98 3HB HIS 98 9.656 -1.727 -18.589 744 HD1 HIS 98 HD1 HIS 98 9.796 -1.766 -16.091 745 HD2 HIS 98 HD2 HIS 98 5.922 -2.382 -17.441 746 HE1 HIS 98 HE1 HIS 98 8.451 -2.280 -14.043 747 HE2 HIS 98 HE2 HIS 98 6.095 -2.431 -14.871 748 H HIS 99 H HIS 99 9.144 2.123 -19.710 749 HA HIS 99 HA HIS 99 10.151 3.876 -18.732 750 HB2 HIS 99 2HB HIS 99 8.603 3.076 -16.221 751 HB3 HIS 99 3HB HIS 99 9.474 4.587 -16.421 752 HD1 HIS 99 HD1 HIS 99 8.075 6.498 -17.174 753 HD2 HIS 99 HD2 HIS 99 6.381 2.855 -18.247 754 HE1 HIS 99 HE1 HIS 99 5.822 7.055 -18.129 755 HE2 HIS 99 HE2 HIS 99 4.864 4.852 -18.864 Start of MODEL 12 1 H1 GLU 1 1H GLU 1 -11.567 -1.514 19.098 2 H2 GLU 1 2H GLU 1 -11.636 0.145 18.795 3 H3 GLU 1 3H GLU 1 -10.599 -0.836 17.893 4 HA GLU 1 HA GLU 1 -13.555 -0.970 17.876 5 HB2 GLU 1 2HB GLU 1 -11.636 -0.051 15.686 6 HB3 GLU 1 3HB GLU 1 -13.398 -0.078 15.578 7 HG2 GLU 1 2HG GLU 1 -11.706 1.699 17.368 8 HG3 GLU 1 3HG GLU 1 -12.594 2.193 15.928 9 H ASP 2 H ASP 2 -14.296 -2.266 15.929 10 HA ASP 2 HA ASP 2 -13.304 -4.913 15.939 11 HB2 ASP 2 2HB ASP 2 -15.129 -3.498 13.936 12 HB3 ASP 2 3HB ASP 2 -14.859 -5.239 13.958 13 HA PRO 3 HA PRO 3 -10.129 -4.820 12.681 14 HB2 PRO 3 2HB PRO 3 -10.459 -7.336 11.572 15 HB3 PRO 3 3HB PRO 3 -9.632 -7.038 13.105 16 HG2 PRO 3 2HG PRO 3 -12.485 -7.897 12.637 17 HG3 PRO 3 3HG PRO 3 -11.301 -8.532 13.800 18 HD2 PRO 3 2HD PRO 3 -13.206 -6.798 14.572 19 HD3 PRO 3 3HD PRO 3 -11.569 -6.734 15.264 20 H GLU 4 H GLU 4 -13.435 -4.694 12.033 21 HA GLU 4 HA GLU 4 -13.267 -4.503 9.165 22 HB2 GLU 4 2HB GLU 4 -15.433 -3.787 11.170 23 HB3 GLU 4 3HB GLU 4 -15.599 -3.415 9.454 24 HG2 GLU 4 2HG GLU 4 -15.273 -6.178 10.671 25 HG3 GLU 4 3HG GLU 4 -16.751 -5.495 9.989 26 H ASP 5 H ASP 5 -12.814 -2.326 11.863 27 HA ASP 5 HA ASP 5 -13.056 0.166 10.586 28 HB2 ASP 5 2HB ASP 5 -12.854 0.025 13.026 29 HB3 ASP 5 3HB ASP 5 -11.257 -0.694 12.893 30 HA PRO 6 HA PRO 6 -9.767 0.107 7.506 31 HB2 PRO 6 2HB PRO 6 -9.158 2.890 7.669 32 HB3 PRO 6 3HB PRO 6 -10.322 2.120 6.584 33 HG2 PRO 6 2HG PRO 6 -10.789 3.425 9.254 34 HG3 PRO 6 3HG PRO 6 -11.789 3.479 7.785 35 HD2 PRO 6 2HD PRO 6 -12.507 1.940 9.821 36 HD3 PRO 6 3HD PRO 6 -12.662 1.320 8.161 37 H PHE 7 H PHE 7 -8.938 2.301 10.256 38 HA PHE 7 HA PHE 7 -6.160 1.969 10.098 39 HB2 PHE 7 2HB PHE 7 -7.093 3.838 11.328 40 HB3 PHE 7 3HB PHE 7 -7.910 2.760 12.454 41 HD1 PHE 7 HD1 PHE 7 -4.399 3.382 11.214 42 HD2 PHE 7 HD2 PHE 7 -6.905 2.555 14.580 43 HE1 PHE 7 HE1 PHE 7 -2.444 3.461 12.706 44 HE2 PHE 7 HE2 PHE 7 -4.945 2.646 16.057 45 HZ PHE 7 HZ PHE 7 -2.710 3.097 15.122 46 H THR 8 H THR 8 -8.571 0.074 11.884 47 HA THR 8 HA THR 8 -6.734 -1.304 13.574 48 HB THR 8 HB THR 8 -9.561 -2.152 12.782 49 HG1 THR 8 HG1 THR 8 -9.307 -0.049 13.803 50 HG21 THR 8 3HG2 THR 8 -8.304 -4.023 13.818 51 HG22 THR 8 1HG2 THR 8 -9.566 -3.431 14.902 52 HG23 THR 8 2HG2 THR 8 -7.880 -2.992 15.187 53 H ARG 9 H ARG 9 -8.321 -2.224 10.484 54 HA ARG 9 HA ARG 9 -7.087 -4.835 10.362 55 HB2 ARG 9 2HB ARG 9 -8.170 -5.081 8.197 56 HB3 ARG 9 3HB ARG 9 -9.302 -4.437 9.370 57 HG2 ARG 9 2HG ARG 9 -8.820 -2.133 8.377 58 HG3 ARG 9 3HG ARG 9 -7.982 -2.986 7.077 59 HD2 ARG 9 2HD ARG 9 -10.922 -3.271 7.823 60 HD3 ARG 9 3HD ARG 9 -10.264 -2.464 6.398 61 HE ARG 9 HE ARG 9 -9.379 -4.735 5.748 62 HH11 ARG 9 1HH1 ARG 9 -12.241 -4.472 7.759 63 HH12 ARG 9 2HH1 ARG 9 -12.929 -5.966 7.208 64 HH21 ARG 9 1HH2 ARG 9 -10.293 -6.731 5.035 65 HH22 ARG 9 2HH2 ARG 9 -11.834 -7.234 5.656 66 H TYR 10 H TYR 10 -6.339 -1.644 9.171 67 HA TYR 10 HA TYR 10 -4.248 -2.235 7.355 68 HB2 TYR 10 2HB TYR 10 -5.190 -0.004 7.450 69 HB3 TYR 10 3HB TYR 10 -4.760 0.171 9.145 70 HD1 TYR 10 HD1 TYR 10 -3.147 -0.359 5.783 71 HD2 TYR 10 HD2 TYR 10 -2.787 1.361 9.678 72 HE1 TYR 10 HE1 TYR 10 -1.046 0.728 5.118 73 HE2 TYR 10 HE2 TYR 10 -0.700 2.445 9.005 74 HH TYR 10 HH TYR 10 1.099 2.082 7.326 75 H ALA 11 H ALA 11 -4.160 -1.371 10.793 76 HA ALA 11 HA ALA 11 -1.414 -1.764 11.286 77 HB1 ALA 11 3HB ALA 11 -3.754 -1.934 13.225 78 HB2 ALA 11 1HB ALA 11 -2.906 -0.456 12.768 79 HB3 ALA 11 2HB ALA 11 -2.058 -1.713 13.664 80 H LEU 12 H LEU 12 -4.210 -3.905 11.441 81 HA LEU 12 HA LEU 12 -2.993 -6.162 12.675 82 HB2 LEU 12 2HB LEU 12 -5.453 -5.756 12.596 83 HB3 LEU 12 3HB LEU 12 -5.438 -6.029 10.864 84 HG LEU 12 HG LEU 12 -4.748 -8.400 11.257 85 HD11 LEU 12 1HD1 LEU 12 -3.572 -8.187 13.379 86 HD12 LEU 12 2HD1 LEU 12 -4.861 -9.381 13.510 87 HD13 LEU 12 3HD1 LEU 12 -5.078 -7.773 14.209 88 HD21 LEU 12 3HD2 LEU 12 -6.921 -9.208 12.073 89 HD22 LEU 12 1HD2 LEU 12 -7.125 -7.850 10.968 90 HD23 LEU 12 2HD2 LEU 12 -7.301 -7.605 12.707 91 H ALA 13 H ALA 13 -3.371 -5.100 9.338 92 HA ALA 13 HA ALA 13 -2.414 -7.422 8.017 93 HB1 ALA 13 3HB ALA 13 -2.139 -5.960 6.065 94 HB2 ALA 13 1HB ALA 13 -2.336 -4.529 7.083 95 HB3 ALA 13 2HB ALA 13 -3.681 -5.649 6.861 96 H GLN 14 H GLN 14 -0.824 -4.419 9.077 97 HA GLN 14 HA GLN 14 1.818 -5.038 8.304 98 HB2 GLN 14 2HB GLN 14 0.818 -3.282 10.581 99 HB3 GLN 14 3HB GLN 14 2.473 -3.292 9.977 100 HG2 GLN 14 2HG GLN 14 1.692 -2.472 7.790 101 HG3 GLN 14 3HG GLN 14 0.027 -2.508 8.360 102 HE21 GLN 14 1HE2 GLN 14 0.630 -1.412 11.004 103 HE22 GLN 14 2HE2 GLN 14 1.000 0.250 10.760 104 H GLU 15 H GLU 15 -0.031 -5.879 11.206 105 HA GLU 15 HA GLU 15 2.084 -7.088 12.691 106 HB2 GLU 15 2HB GLU 15 -0.924 -7.549 12.779 107 HB3 GLU 15 3HB GLU 15 0.208 -8.276 13.917 108 HG2 GLU 15 2HG GLU 15 0.849 -6.069 14.738 109 HG3 GLU 15 3HG GLU 15 -0.195 -5.302 13.548 110 H HIS 16 H HIS 16 -0.372 -8.399 10.448 111 HA HIS 16 HA HIS 16 0.259 -11.118 10.594 112 HB2 HIS 16 2HB HIS 16 -1.022 -9.478 8.389 113 HB3 HIS 16 3HB HIS 16 -0.730 -11.200 8.176 114 HD1 HIS 16 HD1 HIS 16 -1.645 -12.390 10.780 115 HD2 HIS 16 HD2 HIS 16 -3.689 -9.301 8.895 116 HE1 HIS 16 HE1 HIS 16 -3.999 -12.529 11.620 117 HE2 HIS 16 HE2 HIS 16 -5.217 -10.651 10.486 118 H LEU 17 H LEU 17 1.738 -8.580 8.698 119 HA LEU 17 HA LEU 17 3.384 -10.101 7.000 120 HB2 LEU 17 2HB LEU 17 3.831 -7.381 8.263 121 HB3 LEU 17 3HB LEU 17 4.842 -8.038 6.979 122 HG LEU 17 HG LEU 17 1.857 -7.505 6.717 123 HD11 LEU 17 1HD1 LEU 17 2.449 -5.593 5.341 124 HD12 LEU 17 2HD1 LEU 17 4.164 -5.863 5.661 125 HD13 LEU 17 3HD1 LEU 17 3.077 -5.414 6.978 126 HD21 LEU 17 3HD2 LEU 17 2.205 -7.868 4.313 127 HD22 LEU 17 1HD2 LEU 17 2.631 -9.305 5.239 128 HD23 LEU 17 2HD2 LEU 17 3.900 -8.261 4.601 129 H LYS 18 H LYS 18 3.961 -8.860 10.269 130 HA LYS 18 HA LYS 18 6.603 -9.904 10.575 131 HB2 LYS 18 2HB LYS 18 4.642 -9.170 12.792 132 HB3 LYS 18 3HB LYS 18 6.399 -9.253 12.913 133 HG2 LYS 18 2HG LYS 18 6.550 -7.338 11.292 134 HG3 LYS 18 3HG LYS 18 4.787 -7.230 11.322 135 HD2 LYS 18 2HD LYS 18 4.942 -6.858 13.828 136 HD3 LYS 18 3HD LYS 18 6.695 -6.766 13.649 137 HE2 LYS 18 2HE LYS 18 5.805 -4.520 13.722 138 HE3 LYS 18 3HE LYS 18 6.359 -4.826 12.075 139 HZ1 LYS 18 3HZ LYS 18 4.217 -3.725 12.122 140 HZ2 LYS 18 1HZ LYS 18 3.548 -4.984 13.026 141 HZ3 LYS 18 2HZ LYS 18 4.071 -5.263 11.438 142 H HIS 19 H HIS 19 3.361 -11.064 11.298 143 HA HIS 19 HA HIS 19 4.230 -13.530 12.564 144 HB2 HIS 19 2HB HIS 19 1.484 -12.403 11.913 145 HB3 HIS 19 3HB HIS 19 1.714 -13.976 12.661 146 HD1 HIS 19 HD1 HIS 19 1.645 -13.960 15.154 147 HD2 HIS 19 HD2 HIS 19 2.720 -10.251 13.638 148 HE1 HIS 19 HE1 HIS 19 1.789 -12.426 17.136 149 HE2 HIS 19 HE2 HIS 19 2.544 -10.218 16.200 150 H ASP 20 H ASP 20 4.485 -12.716 9.507 151 HA ASP 20 HA ASP 20 5.050 -13.912 7.683 152 HB2 ASP 20 2HB ASP 20 5.872 -15.670 9.205 153 HB3 ASP 20 3HB ASP 20 4.263 -16.367 9.300 154 H ASN 21 H ASN 21 1.925 -13.765 8.843 155 HA ASN 21 HA ASN 21 0.479 -15.166 6.765 156 HB2 ASN 21 2HB ASN 21 -0.436 -13.225 8.929 157 HB3 ASN 21 3HB ASN 21 -1.523 -14.122 7.879 158 HD21 ASN 21 1HD2 ASN 21 -0.258 -16.645 7.916 159 HD22 ASN 21 2HD2 ASN 21 -0.409 -17.287 9.511 160 H ALA 22 H ALA 22 2.056 -13.671 5.289 161 HA ALA 22 HA ALA 22 1.417 -10.954 4.848 162 HB1 ALA 22 3HB ALA 22 3.600 -11.923 4.241 163 HB2 ALA 22 1HB ALA 22 2.836 -11.163 2.844 164 HB3 ALA 22 2HB ALA 22 2.829 -12.920 3.005 165 H SER 23 H SER 23 0.235 -13.952 3.411 166 HA SER 23 HA SER 23 -1.370 -13.026 1.351 167 HB2 SER 23 2HB SER 23 -1.977 -15.347 3.229 168 HB3 SER 23 3HB SER 23 -2.612 -15.135 1.596 169 HG SER 23 HG SER 23 -0.911 -16.412 1.256 170 H ARG 24 H ARG 24 -2.274 -13.405 4.809 171 HA ARG 24 HA ARG 24 -4.957 -12.454 4.528 172 HB2 ARG 24 2HB ARG 24 -3.165 -12.725 6.985 173 HB3 ARG 24 3HB ARG 24 -4.878 -12.336 7.063 174 HG2 ARG 24 2HG ARG 24 -3.758 -14.891 5.874 175 HG3 ARG 24 3HG ARG 24 -4.353 -14.734 7.527 176 HD2 ARG 24 2HD ARG 24 -6.601 -14.221 6.705 177 HD3 ARG 24 3HD ARG 24 -6.023 -14.254 5.034 178 HE ARG 24 HE ARG 24 -5.328 -16.705 5.915 179 HH11 ARG 24 1HH1 ARG 24 -8.438 -15.033 6.021 180 HH12 ARG 24 2HH1 ARG 24 -9.354 -16.501 5.925 181 HH21 ARG 24 1HH2 ARG 24 -6.564 -18.605 5.797 182 HH22 ARG 24 2HH2 ARG 24 -8.298 -18.519 5.814 183 H ALA 25 H ALA 25 -1.849 -10.983 5.236 184 HA ALA 25 HA ALA 25 -2.706 -8.376 5.964 185 HB1 ALA 25 3HB ALA 25 -0.103 -9.257 4.669 186 HB2 ALA 25 1HB ALA 25 -0.428 -9.217 6.403 187 HB3 ALA 25 2HB ALA 25 -0.386 -7.713 5.481 188 H LEU 26 H LEU 26 -1.977 -9.954 2.908 189 HA LEU 26 HA LEU 26 -1.917 -7.709 1.188 190 HB2 LEU 26 2HB LEU 26 -1.004 -10.040 0.698 191 HB3 LEU 26 3HB LEU 26 -2.656 -10.577 0.467 192 HG LEU 26 HG LEU 26 -2.875 -8.926 -1.435 193 HD11 LEU 26 1HD1 LEU 26 -1.124 -7.345 -0.793 194 HD12 LEU 26 2HD1 LEU 26 -0.843 -7.966 -2.413 195 HD13 LEU 26 3HD1 LEU 26 0.117 -8.573 -1.064 196 HD21 LEU 26 3HD2 LEU 26 -0.672 -11.000 -1.754 197 HD22 LEU 26 1HD2 LEU 26 -1.607 -10.262 -3.060 198 HD23 LEU 26 2HD2 LEU 26 -2.409 -11.302 -1.887 199 H ALA 27 H ALA 27 -4.413 -10.112 1.915 200 HA ALA 27 HA ALA 27 -6.588 -9.148 0.502 201 HB1 ALA 27 3HB ALA 27 -6.559 -11.327 1.647 202 HB2 ALA 27 1HB ALA 27 -7.980 -10.397 2.119 203 HB3 ALA 27 2HB ALA 27 -6.605 -10.524 3.217 204 H LEU 28 H LEU 28 -5.596 -8.285 3.841 205 HA LEU 28 HA LEU 28 -7.730 -6.540 4.426 206 HB2 LEU 28 2HB LEU 28 -4.922 -6.641 5.578 207 HB3 LEU 28 3HB LEU 28 -6.182 -5.592 6.211 208 HG LEU 28 HG LEU 28 -6.280 -8.639 6.178 209 HD11 LEU 28 1HD1 LEU 28 -4.669 -7.813 7.817 210 HD12 LEU 28 2HD1 LEU 28 -6.080 -8.486 8.626 211 HD13 LEU 28 3HD1 LEU 28 -5.886 -6.735 8.507 212 HD21 LEU 28 3HD2 LEU 28 -8.330 -8.412 7.537 213 HD22 LEU 28 1HD2 LEU 28 -8.529 -7.716 5.932 214 HD23 LEU 28 2HD2 LEU 28 -8.280 -6.662 7.323 215 H PHE 29 H PHE 29 -4.503 -5.824 3.036 216 HA PHE 29 HA PHE 29 -4.810 -3.001 2.966 217 HB2 PHE 29 2HB PHE 29 -2.988 -4.846 1.379 218 HB3 PHE 29 3HB PHE 29 -2.934 -3.098 1.233 219 HD1 PHE 29 HD2 PHE 29 -3.014 -2.110 3.974 220 HD2 PHE 29 HD1 PHE 29 -1.004 -5.546 2.408 221 HE1 PHE 29 HE2 PHE 29 -1.345 -1.975 5.780 222 HE2 PHE 29 HE1 PHE 29 0.663 -5.397 4.212 223 HZ PHE 29 HZ PHE 29 0.492 -3.615 5.905 224 H GLU 30 H GLU 30 -5.346 -5.532 0.501 225 HA GLU 30 HA GLU 30 -6.187 -3.898 -1.618 226 HB2 GLU 30 2HB GLU 30 -6.847 -6.787 -0.942 227 HB3 GLU 30 3HB GLU 30 -7.373 -6.019 -2.434 228 HG2 GLU 30 2HG GLU 30 -4.967 -5.567 -2.991 229 HG3 GLU 30 3HG GLU 30 -4.512 -6.481 -1.551 230 H GLU 31 H GLU 31 -7.973 -5.189 1.133 231 HA GLU 31 HA GLU 31 -10.599 -4.518 0.240 232 HB2 GLU 31 2HB GLU 31 -9.989 -6.211 2.074 233 HB3 GLU 31 3HB GLU 31 -9.682 -4.843 3.136 234 HG2 GLU 31 2HG GLU 31 -11.900 -5.784 3.536 235 HG3 GLU 31 3HG GLU 31 -12.025 -4.132 2.926 236 H LEU 32 H LEU 32 -8.123 -2.903 2.147 237 HA LEU 32 HA LEU 32 -9.525 -0.626 2.994 238 HB2 LEU 32 2HB LEU 32 -6.596 -1.109 2.425 239 HB3 LEU 32 3HB LEU 32 -7.173 0.425 3.059 240 HG LEU 32 HG LEU 32 -7.647 -2.218 4.481 241 HD11 LEU 32 1HD1 LEU 32 -5.791 -1.668 5.964 242 HD12 LEU 32 2HD1 LEU 32 -5.401 -0.250 4.991 243 HD13 LEU 32 3HD1 LEU 32 -5.225 -1.866 4.308 244 HD21 LEU 32 3HD2 LEU 32 -9.200 -0.431 5.075 245 HD22 LEU 32 1HD2 LEU 32 -7.852 0.664 5.409 246 HD23 LEU 32 2HD2 LEU 32 -8.103 -0.767 6.410 247 H VAL 33 H VAL 33 -7.494 -1.121 0.090 248 HA VAL 33 HA VAL 33 -7.658 1.417 -1.026 249 HB VAL 33 HB VAL 33 -7.332 -1.297 -2.392 250 HG11 VAL 33 1HG1 VAL 33 -6.475 -0.101 -4.391 251 HG12 VAL 33 2HG1 VAL 33 -6.945 1.440 -3.668 252 HG13 VAL 33 3HG1 VAL 33 -8.176 0.252 -4.093 253 HG21 VAL 33 3HG2 VAL 33 -5.296 0.855 -1.661 254 HG22 VAL 33 1HG2 VAL 33 -4.937 -0.659 -2.499 255 HG23 VAL 33 2HG2 VAL 33 -5.522 -0.692 -0.838 256 H GLU 34 H GLU 34 -9.710 -1.427 -1.816 257 HA GLU 34 HA GLU 34 -11.318 -0.086 -3.688 258 HB2 GLU 34 2HB GLU 34 -12.810 -2.028 -3.626 259 HB3 GLU 34 3HB GLU 34 -11.123 -2.524 -3.678 260 HG2 GLU 34 2HG GLU 34 -11.169 -3.075 -1.303 261 HG3 GLU 34 3HG GLU 34 -12.820 -2.475 -1.161 262 H THR 35 H THR 35 -11.877 -0.565 -0.163 263 HA THR 35 HA THR 35 -14.528 0.585 -0.248 264 HB THR 35 HB THR 35 -14.435 0.430 2.253 265 HG1 THR 35 HG1 THR 35 -11.728 -0.119 1.694 266 HG21 THR 35 3HG2 THR 35 -15.155 -1.561 0.970 267 HG22 THR 35 1HG2 THR 35 -14.284 -2.021 2.437 268 HG23 THR 35 2HG2 THR 35 -13.478 -2.103 0.871 269 H ASP 36 H ASP 36 -11.295 1.735 0.419 270 HA ASP 36 HA ASP 36 -12.224 4.481 0.916 271 HB2 ASP 36 2HB ASP 36 -11.945 3.221 3.135 272 HB3 ASP 36 3HB ASP 36 -10.232 3.085 2.764 273 HA PRO 37 HA PRO 37 -8.536 4.565 -1.896 274 HB2 PRO 37 2HB PRO 37 -9.263 6.802 -3.300 275 HB3 PRO 37 3HB PRO 37 -9.927 5.203 -3.665 276 HG2 PRO 37 2HG PRO 37 -11.135 7.413 -1.997 277 HG3 PRO 37 3HG PRO 37 -11.894 6.433 -3.270 278 HD2 PRO 37 2HD PRO 37 -12.243 5.869 -0.639 279 HD3 PRO 37 3HD PRO 37 -12.174 4.585 -1.867 280 H ASP 38 H ASP 38 -9.864 6.767 0.419 281 HA ASP 38 HA ASP 38 -8.022 8.907 0.332 282 HB2 ASP 38 2HB ASP 38 -10.256 8.975 1.471 283 HB3 ASP 38 3HB ASP 38 -9.666 7.856 2.687 284 H TYR 39 H TYR 39 -7.967 5.758 1.990 285 HA TYR 39 HA TYR 39 -5.883 6.368 3.825 286 HB2 TYR 39 2HB TYR 39 -7.616 4.249 3.625 287 HB3 TYR 39 3HB TYR 39 -6.163 3.481 3.007 288 HD1 TYR 39 HD2 TYR 39 -4.069 3.507 4.475 289 HD2 TYR 39 HD1 TYR 39 -7.889 4.639 5.993 290 HE1 TYR 39 HE2 TYR 39 -3.235 3.250 6.752 291 HE2 TYR 39 HE1 TYR 39 -7.043 4.406 8.283 292 HH TYR 39 HH TYR 39 -3.701 3.938 8.984 293 H VAL 40 H VAL 40 -4.247 7.358 2.699 294 HA VAL 40 HA VAL 40 -2.996 6.398 0.331 295 HB VAL 40 HB VAL 40 -1.923 8.381 2.396 296 HG11 VAL 40 1HG1 VAL 40 -0.531 9.239 0.520 297 HG12 VAL 40 2HG1 VAL 40 -1.083 7.897 -0.483 298 HG13 VAL 40 3HG1 VAL 40 -0.126 7.580 0.966 299 HG21 VAL 40 3HG2 VAL 40 -4.096 9.127 1.508 300 HG22 VAL 40 1HG2 VAL 40 -3.525 8.905 -0.145 301 HG23 VAL 40 2HG2 VAL 40 -2.806 10.147 0.880 302 H GLY 41 H GLY 41 -2.357 5.927 3.753 303 HA2 GLY 41 2HA GLY 41 0.298 4.955 3.703 304 HA3 GLY 41 3HA GLY 41 -0.893 4.654 4.962 305 H THR 42 H THR 42 -2.814 3.400 3.186 306 HA THR 42 HA THR 42 -2.082 0.703 3.279 307 HB THR 42 HB THR 42 -4.206 2.071 1.568 308 HG1 THR 42 HG1 THR 42 -5.529 1.643 3.255 309 HG21 THR 42 3HG2 THR 42 -3.867 -0.884 2.223 310 HG22 THR 42 1HG2 THR 42 -3.660 -0.148 0.633 311 HG23 THR 42 2HG2 THR 42 -5.247 -0.166 1.392 312 H TYR 43 H TYR 43 -2.114 2.978 0.528 313 HA TYR 43 HA TYR 43 -1.517 1.164 -1.518 314 HB2 TYR 43 2HB TYR 43 -1.005 4.159 -1.344 315 HB3 TYR 43 3HB TYR 43 -0.763 3.225 -2.817 316 HD1 TYR 43 HD2 TYR 43 -3.302 4.604 -0.509 317 HD2 TYR 43 HD1 TYR 43 -2.676 2.356 -4.086 318 HE1 TYR 43 HE2 TYR 43 -5.667 4.887 -1.114 319 HE2 TYR 43 HE1 TYR 43 -5.034 2.643 -4.677 320 HH TYR 43 HH TYR 43 -7.043 4.863 -3.107 321 H TYR 44 H TYR 44 0.700 3.300 0.283 322 HA TYR 44 HA TYR 44 3.115 2.565 -0.812 323 HB2 TYR 44 2HB TYR 44 2.659 4.429 0.833 324 HB3 TYR 44 3HB TYR 44 2.612 3.230 2.121 325 HD1 TYR 44 HD2 TYR 44 4.868 4.491 -0.622 326 HD2 TYR 44 HD1 TYR 44 4.630 2.752 3.276 327 HE1 TYR 44 HE2 TYR 44 7.294 4.743 -0.357 328 HE2 TYR 44 HE1 TYR 44 7.058 3.002 3.525 329 HH TYR 44 HH TYR 44 8.884 4.988 1.709 330 H HIS 45 H HIS 45 1.459 1.107 1.953 331 HA HIS 45 HA HIS 45 3.500 -0.855 2.487 332 HB2 HIS 45 2HB HIS 45 0.738 -0.330 3.635 333 HB3 HIS 45 3HB HIS 45 1.668 -1.743 4.124 334 HD1 HIS 45 HD1 HIS 45 3.232 -1.389 6.030 335 HD2 HIS 45 HD2 HIS 45 2.300 2.178 4.125 336 HE1 HIS 45 HE1 HIS 45 4.422 0.400 7.325 337 HE2 HIS 45 HE2 HIS 45 3.849 2.547 6.152 338 H LEU 46 H LEU 46 0.575 -0.868 0.610 339 HA LEU 46 HA LEU 46 0.336 -3.717 0.292 340 HB2 LEU 46 2HB LEU 46 -1.646 -2.264 0.086 341 HB3 LEU 46 3HB LEU 46 -0.903 -1.397 -1.246 342 HG LEU 46 HG LEU 46 -1.070 -3.393 -2.684 343 HD11 LEU 46 1HD1 LEU 46 -2.243 -5.415 -2.020 344 HD12 LEU 46 2HD1 LEU 46 -2.448 -4.796 -0.385 345 HD13 LEU 46 3HD1 LEU 46 -0.833 -5.162 -0.991 346 HD21 LEU 46 3HD2 LEU 46 -2.957 -1.827 -2.698 347 HD22 LEU 46 1HD2 LEU 46 -3.726 -2.716 -1.379 348 HD23 LEU 46 2HD2 LEU 46 -3.508 -3.479 -2.953 349 H GLY 47 H GLY 47 1.779 -1.019 -1.457 350 HA2 GLY 47 2HA GLY 47 2.533 -2.405 -3.833 351 HA3 GLY 47 3HA GLY 47 3.121 -0.843 -3.288 352 H LYS 48 H LYS 48 4.238 -1.516 -0.825 353 HA LYS 48 HA LYS 48 6.797 -2.509 -1.491 354 HB2 LYS 48 2HB LYS 48 5.477 -2.070 1.215 355 HB3 LYS 48 3HB LYS 48 7.133 -2.649 1.067 356 HG2 LYS 48 2HG LYS 48 6.084 0.006 0.034 357 HG3 LYS 48 3HG LYS 48 7.054 -0.226 1.495 358 HD2 LYS 48 2HD LYS 48 8.929 -1.072 0.097 359 HD3 LYS 48 3HD LYS 48 7.954 -0.840 -1.354 360 HE2 LYS 48 2HE LYS 48 9.452 1.017 -1.204 361 HE3 LYS 48 3HE LYS 48 7.853 1.629 -0.770 362 HZ1 LYS 48 3HZ LYS 48 10.048 0.902 1.084 363 HZ2 LYS 48 1HZ LYS 48 8.497 1.369 1.578 364 HZ3 LYS 48 2HZ LYS 48 9.489 2.461 0.747 365 H LEU 49 H LEU 49 3.963 -4.039 -0.037 366 HA LEU 49 HA LEU 49 5.162 -6.571 0.482 367 HB2 LEU 49 2HB LEU 49 3.077 -5.854 1.583 368 HB3 LEU 49 3HB LEU 49 2.240 -5.855 0.039 369 HG LEU 49 HG LEU 49 2.386 -8.292 -0.114 370 HD11 LEU 49 1HD1 LEU 49 3.980 -8.235 2.475 371 HD12 LEU 49 2HD1 LEU 49 4.588 -8.684 0.878 372 HD13 LEU 49 3HD1 LEU 49 3.374 -9.687 1.668 373 HD21 LEU 49 3HD2 LEU 49 1.422 -7.456 2.650 374 HD22 LEU 49 1HD2 LEU 49 0.963 -8.931 1.791 375 HD23 LEU 49 2HD2 LEU 49 0.486 -7.359 1.156 376 H TYR 50 H TYR 50 3.335 -5.257 -2.292 377 HA TYR 50 HA TYR 50 3.285 -7.503 -3.953 378 HB2 TYR 50 2HB TYR 50 3.336 -4.539 -4.563 379 HB3 TYR 50 3HB TYR 50 3.370 -5.708 -5.876 380 HD1 TYR 50 HD2 TYR 50 1.463 -7.769 -4.653 381 HD2 TYR 50 HD1 TYR 50 1.205 -3.518 -5.013 382 HE1 TYR 50 HE2 TYR 50 -0.977 -7.915 -4.634 383 HE2 TYR 50 HE1 TYR 50 -1.247 -3.680 -5.003 384 HH TYR 50 HH TYR 50 -2.996 -5.257 -5.418 385 H GLU 51 H GLU 51 5.837 -5.026 -3.634 386 HA GLU 51 HA GLU 51 7.605 -5.855 -5.622 387 HB2 GLU 51 2HB GLU 51 8.269 -4.717 -2.880 388 HB3 GLU 51 3HB GLU 51 9.407 -4.808 -4.220 389 HG2 GLU 51 2HG GLU 51 8.066 -3.213 -5.503 390 HG3 GLU 51 3HG GLU 51 6.849 -3.176 -4.227 391 H ARG 52 H ARG 52 7.276 -6.957 -2.281 392 HA ARG 52 HA ARG 52 9.473 -8.778 -2.215 393 HB2 ARG 52 2HB ARG 52 6.976 -8.638 -0.473 394 HB3 ARG 52 3HB ARG 52 8.415 -9.589 -0.103 395 HG2 ARG 52 2HG ARG 52 9.746 -7.574 0.163 396 HG3 ARG 52 3HG ARG 52 8.410 -6.567 -0.399 397 HD2 ARG 52 2HD ARG 52 8.606 -6.446 2.034 398 HD3 ARG 52 3HD ARG 52 7.084 -7.219 1.581 399 HE ARG 52 HE ARG 52 9.183 -9.115 2.038 400 HH11 ARG 52 1HH1 ARG 52 6.845 -7.134 3.760 401 HH12 ARG 52 2HH1 ARG 52 6.787 -8.196 5.128 402 HH21 ARG 52 1HH2 ARG 52 9.090 -10.491 3.835 403 HH22 ARG 52 2HH2 ARG 52 8.057 -10.093 5.173 404 H LEU 53 H LEU 53 6.042 -9.107 -3.027 405 HA LEU 53 HA LEU 53 6.130 -11.990 -3.364 406 HB2 LEU 53 2HB LEU 53 3.981 -9.960 -4.084 407 HB3 LEU 53 3HB LEU 53 3.768 -11.705 -4.105 408 HG LEU 53 HG LEU 53 4.312 -10.031 -1.617 409 HD11 LEU 53 1HD1 LEU 53 1.993 -10.515 -0.976 410 HD12 LEU 53 2HD1 LEU 53 1.727 -11.334 -2.518 411 HD13 LEU 53 3HD1 LEU 53 2.073 -9.604 -2.484 412 HD21 LEU 53 3HD2 LEU 53 3.842 -12.086 -0.337 413 HD22 LEU 53 1HD2 LEU 53 5.255 -12.281 -1.368 414 HD23 LEU 53 2HD2 LEU 53 3.716 -13.007 -1.835 415 H ASP 54 H ASP 54 7.687 -9.884 -5.167 416 HA ASP 54 HA ASP 54 8.433 -9.631 -7.276 417 HB2 ASP 54 2HB ASP 54 7.199 -12.389 -7.720 418 HB3 ASP 54 3HB ASP 54 8.280 -11.593 -8.858 419 H ARG 55 H ARG 55 5.552 -9.033 -6.536 420 HA ARG 55 HA ARG 55 4.246 -8.817 -9.161 421 HB2 ARG 55 2HB ARG 55 3.176 -8.161 -6.366 422 HB3 ARG 55 3HB ARG 55 2.239 -8.156 -7.855 423 HG2 ARG 55 2HG ARG 55 3.416 -10.559 -6.431 424 HG3 ARG 55 3HG ARG 55 1.709 -10.157 -6.644 425 HD2 ARG 55 2HD ARG 55 3.682 -11.035 -8.774 426 HD3 ARG 55 3HD ARG 55 2.265 -11.918 -8.198 427 HE ARG 55 HE ARG 55 1.416 -9.445 -9.237 428 HH11 ARG 55 1HH1 ARG 55 2.758 -12.487 -10.415 429 HH12 ARG 55 2HH1 ARG 55 2.108 -12.282 -12.011 430 HH21 ARG 55 1HH2 ARG 55 0.639 -9.164 -11.329 431 HH22 ARG 55 2HH2 ARG 55 0.909 -10.393 -12.530 432 H THR 56 H THR 56 6.428 -7.351 -9.181 433 HA THR 56 HA THR 56 6.374 -4.770 -8.025 434 HB THR 56 HB THR 56 7.868 -5.623 -10.540 435 HG1 THR 56 HG1 THR 56 8.736 -6.998 -9.183 436 HG21 THR 56 3HG2 THR 56 8.516 -3.490 -8.465 437 HG22 THR 56 1HG2 THR 56 7.967 -3.187 -10.115 438 HG23 THR 56 2HG2 THR 56 9.537 -3.938 -9.832 439 H ASP 57 H ASP 57 5.153 -6.039 -11.072 440 HA ASP 57 HA ASP 57 4.513 -3.638 -12.408 441 HB2 ASP 57 2HB ASP 57 4.517 -5.863 -13.514 442 HB3 ASP 57 3HB ASP 57 3.146 -6.366 -12.530 443 H ASP 58 H ASP 58 2.654 -5.680 -10.208 444 HA ASP 58 HA ASP 58 0.264 -4.175 -10.004 445 HB2 ASP 58 2HB ASP 58 1.595 -5.965 -7.911 446 HB3 ASP 58 3HB ASP 58 -0.061 -5.362 -7.815 447 H ALA 59 H ALA 59 3.353 -4.034 -8.291 448 HA ALA 59 HA ALA 59 2.673 -2.288 -6.190 449 HB1 ALA 59 3HB ALA 59 4.715 -3.673 -6.136 450 HB2 ALA 59 1HB ALA 59 5.105 -1.967 -5.887 451 HB3 ALA 59 2HB ALA 59 5.407 -2.727 -7.452 452 H ILE 60 H ILE 60 4.199 -1.617 -9.366 453 HA ILE 60 HA ILE 60 4.581 1.136 -9.152 454 HB ILE 60 HB ILE 60 3.903 -0.360 -11.739 455 HG12 ILE 60 2HG1 ILE 60 5.803 -1.515 -10.769 456 HG13 ILE 60 3HG1 ILE 60 6.436 -0.501 -12.056 457 HG21 ILE 60 1HG2 ILE 60 5.383 2.274 -11.346 458 HG22 ILE 60 2HG2 ILE 60 3.773 2.061 -12.033 459 HG23 ILE 60 3HG2 ILE 60 5.177 1.437 -12.890 460 HD11 ILE 60 3HD1 ILE 60 7.881 -0.430 -10.145 461 HD12 ILE 60 1HD1 ILE 60 6.555 0.068 -9.097 462 HD13 ILE 60 2HD1 ILE 60 7.136 1.150 -10.366 463 H ASP 61 H ASP 61 1.775 -0.722 -10.156 464 HA ASP 61 HA ASP 61 0.169 1.482 -11.043 465 HB2 ASP 61 2HB ASP 61 -0.037 -0.940 -11.834 466 HB3 ASP 61 3HB ASP 61 -0.786 -1.318 -10.289 467 H THR 62 H THR 62 0.505 -0.308 -8.015 468 HA THR 62 HA THR 62 -1.757 0.818 -6.654 469 HB THR 62 HB THR 62 0.728 -0.548 -5.511 470 HG1 THR 62 HG1 THR 62 -0.210 -2.172 -6.495 471 HG21 THR 62 3HG2 THR 62 -0.484 0.722 -3.756 472 HG22 THR 62 1HG2 THR 62 -0.663 -1.020 -3.518 473 HG23 THR 62 2HG2 THR 62 -1.987 -0.079 -4.207 474 H TYR 63 H TYR 63 1.687 1.615 -6.812 475 HA TYR 63 HA TYR 63 1.642 3.814 -5.004 476 HB2 TYR 63 2HB TYR 63 3.580 3.171 -7.262 477 HB3 TYR 63 3HB TYR 63 3.815 4.478 -6.100 478 HD1 TYR 63 HD1 TYR 63 3.164 3.284 -3.516 479 HD2 TYR 63 HD2 TYR 63 5.217 1.541 -6.825 480 HE1 TYR 63 HE1 TYR 63 4.350 1.771 -1.992 481 HE2 TYR 63 HE2 TYR 63 6.393 0.033 -5.301 482 HH TYR 63 HH TYR 63 6.979 -0.175 -3.048 483 H ALA 64 H ALA 64 1.257 3.495 -8.521 484 HA ALA 64 HA ALA 64 0.986 6.166 -9.252 485 HB1 ALA 64 3HB ALA 64 -0.398 3.750 -10.459 486 HB2 ALA 64 1HB ALA 64 1.214 4.335 -10.880 487 HB3 ALA 64 2HB ALA 64 -0.207 5.320 -11.240 488 H GLN 65 H GLN 65 -1.573 3.854 -8.317 489 HA GLN 65 HA GLN 65 -3.782 5.589 -8.236 490 HB2 GLN 65 2HB GLN 65 -3.141 3.017 -6.757 491 HB3 GLN 65 3HB GLN 65 -4.672 3.853 -6.515 492 HG2 GLN 65 2HG GLN 65 -3.827 3.139 -9.308 493 HG3 GLN 65 3HG GLN 65 -4.460 1.881 -8.255 494 HE21 GLN 65 1HE2 GLN 65 -5.685 5.214 -8.124 495 HE22 GLN 65 2HE2 GLN 65 -7.240 4.828 -8.743 496 H GLY 66 H GLY 66 -1.408 4.712 -5.808 497 HA2 GLY 66 2HA GLY 66 -2.304 6.113 -3.583 498 HA3 GLY 66 3HA GLY 66 -0.632 5.706 -3.927 499 H ILE 67 H ILE 67 -0.222 7.193 -6.240 500 HA ILE 67 HA ILE 67 0.559 9.691 -5.214 501 HB ILE 67 HB ILE 67 0.434 8.522 -8.020 502 HG12 ILE 67 2HG1 ILE 67 2.825 9.403 -6.309 503 HG13 ILE 67 3HG1 ILE 67 2.205 7.758 -6.397 504 HG21 ILE 67 1HG2 ILE 67 0.021 10.915 -8.394 505 HG22 ILE 67 2HG2 ILE 67 1.629 10.478 -8.956 506 HG23 ILE 67 3HG2 ILE 67 1.434 11.338 -7.429 507 HD11 ILE 67 3HD1 ILE 67 2.805 7.641 -8.753 508 HD12 ILE 67 1HD1 ILE 67 4.189 8.071 -7.751 509 HD13 ILE 67 2HD1 ILE 67 3.375 9.313 -8.696 510 H GLU 68 H GLU 68 -2.235 8.724 -7.144 511 HA GLU 68 HA GLU 68 -3.267 11.273 -7.792 512 HB2 GLU 68 2HB GLU 68 -4.765 8.640 -7.437 513 HB3 GLU 68 3HB GLU 68 -5.365 10.054 -8.309 514 HG2 GLU 68 2HG GLU 68 -3.513 9.809 -9.939 515 HG3 GLU 68 3HG GLU 68 -2.941 8.389 -9.073 516 H VAL 69 H VAL 69 -3.898 9.083 -5.076 517 HA VAL 69 HA VAL 69 -5.782 10.922 -3.798 518 HB VAL 69 HB VAL 69 -6.107 9.235 -2.087 519 HG11 VAL 69 1HG1 VAL 69 -7.010 7.399 -3.475 520 HG12 VAL 69 2HG1 VAL 69 -6.076 7.977 -4.859 521 HG13 VAL 69 3HG1 VAL 69 -7.362 8.978 -4.182 522 HG21 VAL 69 3HG2 VAL 69 -3.808 8.398 -1.825 523 HG22 VAL 69 1HG2 VAL 69 -3.890 7.615 -3.404 524 HG23 VAL 69 2HG2 VAL 69 -4.928 7.064 -2.085 525 H ALA 70 H ALA 70 -2.393 10.332 -3.651 526 HA ALA 70 HA ALA 70 -1.929 11.115 -0.915 527 HB1 ALA 70 3HB ALA 70 0.448 11.075 -1.463 528 HB2 ALA 70 1HB ALA 70 0.064 10.945 -3.186 529 HB3 ALA 70 2HB ALA 70 -0.366 9.637 -2.083 530 H ARG 71 H ARG 71 -1.614 12.715 -4.052 531 HA ARG 71 HA ARG 71 -0.647 15.180 -3.089 532 HB2 ARG 71 2HB ARG 71 -1.307 16.078 -5.321 533 HB3 ARG 71 3HB ARG 71 -0.371 14.593 -5.422 534 HG2 ARG 71 2HG ARG 71 -2.471 13.321 -5.817 535 HG3 ARG 71 3HG ARG 71 -3.371 14.838 -5.774 536 HD2 ARG 71 2HD ARG 71 -1.230 14.073 -7.791 537 HD3 ARG 71 3HD ARG 71 -2.970 14.137 -8.093 538 HE ARG 71 HE ARG 71 -1.173 16.423 -7.637 539 HH11 ARG 71 1HH1 ARG 71 -4.355 15.288 -8.615 540 HH12 ARG 71 2HH1 ARG 71 -4.809 16.814 -9.296 541 HH21 ARG 71 1HH2 ARG 71 -1.779 18.393 -8.525 542 HH22 ARG 71 2HH2 ARG 71 -3.349 18.579 -9.235 543 H GLU 72 H GLU 72 -3.958 13.957 -3.542 544 HA GLU 72 HA GLU 72 -5.159 16.568 -3.010 545 HB2 GLU 72 2HB GLU 72 -6.449 13.877 -3.611 546 HB3 GLU 72 3HB GLU 72 -7.303 15.415 -3.501 547 HG2 GLU 72 2HG GLU 72 -5.228 14.629 -5.565 548 HG3 GLU 72 3HG GLU 72 -6.963 14.812 -5.826 549 H GLU 73 H GLU 73 -5.373 13.296 -1.581 550 HA GLU 73 HA GLU 73 -6.949 14.273 0.671 551 HB2 GLU 73 2HB GLU 73 -6.073 11.413 0.088 552 HB3 GLU 73 3HB GLU 73 -7.351 11.924 1.188 553 HG2 GLU 73 2HG GLU 73 -7.365 12.135 -1.840 554 HG3 GLU 73 3HG GLU 73 -8.296 11.007 -0.858 555 H GLY 74 H GLY 74 -3.767 12.751 0.101 556 HA2 GLY 74 2HA GLY 74 -3.050 12.885 2.947 557 HA3 GLY 74 3HA GLY 74 -2.116 12.161 1.644 558 H THR 75 H THR 75 -0.423 13.457 2.952 559 HA THR 75 HA THR 75 -0.255 16.275 2.082 560 HB THR 75 HB THR 75 1.724 16.406 3.589 561 HG1 THR 75 HG1 THR 75 1.079 13.701 4.215 562 HG21 THR 75 3HG2 THR 75 0.542 16.175 5.737 563 HG22 THR 75 1HG2 THR 75 -0.721 15.221 4.954 564 HG23 THR 75 2HG2 THR 75 -0.505 16.922 4.530 565 H GLN 76 H GLN 76 2.077 16.929 1.372 566 HA GLN 76 HA GLN 76 2.786 15.593 -1.012 567 HB2 GLN 76 2HB GLN 76 3.227 18.016 -0.604 568 HB3 GLN 76 3HB GLN 76 4.450 17.584 0.590 569 HG2 GLN 76 2HG GLN 76 5.682 16.369 -1.287 570 HG3 GLN 76 3HG GLN 76 4.526 17.091 -2.404 571 HE21 GLN 76 1HE2 GLN 76 4.630 19.326 -2.812 572 HE22 GLN 76 2HE2 GLN 76 6.009 20.272 -2.384 573 H LYS 77 H LYS 77 3.913 15.275 2.288 574 HA LYS 77 HA LYS 77 6.314 13.879 1.921 575 HB2 LYS 77 2HB LYS 77 5.493 14.780 4.109 576 HB3 LYS 77 3HB LYS 77 4.276 13.506 4.156 577 HG2 LYS 77 2HG LYS 77 6.083 11.796 4.213 578 HG3 LYS 77 3HG LYS 77 7.291 13.084 4.214 579 HD2 LYS 77 2HD LYS 77 5.214 12.554 6.378 580 HD3 LYS 77 3HD LYS 77 6.942 12.212 6.484 581 HE2 LYS 77 2HE LYS 77 7.408 14.641 6.267 582 HE3 LYS 77 3HE LYS 77 5.672 14.962 6.251 583 HZ1 LYS 77 3HZ LYS 77 6.547 15.302 8.442 584 HZ2 LYS 77 1HZ LYS 77 7.230 13.755 8.471 585 HZ3 LYS 77 2HZ LYS 77 5.551 13.934 8.467 586 H ASP 78 H ASP 78 2.972 12.669 2.296 587 HA ASP 78 HA ASP 78 3.419 9.903 1.957 588 HB2 ASP 78 2HB ASP 78 0.958 11.569 1.262 589 HB3 ASP 78 3HB ASP 78 0.992 9.810 1.285 590 H LEU 79 H LEU 79 2.600 12.438 -0.363 591 HA LEU 79 HA LEU 79 2.415 11.003 -2.734 592 HB2 LEU 79 2HB LEU 79 1.743 13.362 -2.474 593 HB3 LEU 79 3HB LEU 79 3.418 13.836 -2.255 594 HG LEU 79 HG LEU 79 3.898 13.142 -4.619 595 HD11 LEU 79 1HD1 LEU 79 2.147 11.469 -4.908 596 HD12 LEU 79 2HD1 LEU 79 2.044 12.701 -6.161 597 HD13 LEU 79 3HD1 LEU 79 0.904 12.722 -4.813 598 HD21 LEU 79 3HD2 LEU 79 3.409 15.495 -4.088 599 HD22 LEU 79 1HD2 LEU 79 1.683 15.206 -4.330 600 HD23 LEU 79 2HD2 LEU 79 2.806 15.065 -5.684 601 H SER 80 H SER 80 5.271 12.497 -1.255 602 HA SER 80 HA SER 80 7.116 11.939 -3.324 603 HB2 SER 80 2HB SER 80 7.605 12.624 -0.399 604 HB3 SER 80 3HB SER 80 8.836 12.650 -1.666 605 HG SER 80 HG SER 80 6.778 14.426 -1.138 606 H GLU 81 H GLU 81 6.109 10.172 -0.447 607 HA GLU 81 HA GLU 81 8.128 8.190 -0.410 608 HB2 GLU 81 2HB GLU 81 5.253 8.167 0.599 609 HB3 GLU 81 3HB GLU 81 6.362 6.829 0.868 610 HG2 GLU 81 2HG GLU 81 6.732 9.663 1.869 611 HG3 GLU 81 3HG GLU 81 6.211 8.282 2.832 612 H LEU 82 H LEU 82 4.968 8.332 -1.995 613 HA LEU 82 HA LEU 82 4.995 5.668 -3.050 614 HB2 LEU 82 2HB LEU 82 3.313 8.099 -3.721 615 HB3 LEU 82 3HB LEU 82 2.977 6.472 -4.307 616 HG LEU 82 HG LEU 82 3.145 7.059 -1.329 617 HD11 LEU 82 1HD1 LEU 82 0.709 7.269 -1.284 618 HD12 LEU 82 2HD1 LEU 82 0.678 7.251 -3.046 619 HD13 LEU 82 3HD1 LEU 82 1.471 8.572 -2.191 620 HD21 LEU 82 3HD2 LEU 82 1.752 5.049 -1.134 621 HD22 LEU 82 1HD2 LEU 82 3.260 4.695 -1.971 622 HD23 LEU 82 2HD2 LEU 82 1.757 4.851 -2.887 623 H GLN 83 H GLN 83 5.760 8.851 -4.378 624 HA GLN 83 HA GLN 83 6.179 8.129 -7.089 625 HB2 GLN 83 2HB GLN 83 7.299 10.427 -5.421 626 HB3 GLN 83 3HB GLN 83 7.538 10.284 -7.163 627 HG2 GLN 83 2HG GLN 83 5.164 10.507 -7.571 628 HG3 GLN 83 3HG GLN 83 4.811 10.461 -5.847 629 HE21 GLN 83 1HE2 GLN 83 6.950 12.219 -5.051 630 HE22 GLN 83 2HE2 GLN 83 6.527 13.803 -5.570 631 H ASP 84 H ASP 84 8.365 8.528 -4.332 632 HA ASP 84 HA ASP 84 10.790 7.799 -5.547 633 HB2 ASP 84 2HB ASP 84 10.748 8.928 -3.387 634 HB3 ASP 84 3HB ASP 84 9.877 7.588 -2.650 635 H ALA 85 H ALA 85 8.337 5.857 -3.858 636 HA ALA 85 HA ALA 85 9.804 3.471 -3.682 637 HB1 ALA 85 3HB ALA 85 7.669 2.432 -3.059 638 HB2 ALA 85 1HB ALA 85 6.795 3.859 -3.627 639 HB3 ALA 85 2HB ALA 85 7.877 3.980 -2.239 640 H LYS 86 H LYS 86 7.340 4.523 -6.076 641 HA LYS 86 HA LYS 86 7.454 2.111 -7.577 642 HB2 LYS 86 2HB LYS 86 6.265 3.289 -9.381 643 HB3 LYS 86 3HB LYS 86 5.506 3.515 -7.814 644 HG2 LYS 86 2HG LYS 86 6.275 5.775 -7.655 645 HG3 LYS 86 3HG LYS 86 7.340 5.585 -9.048 646 HD2 LYS 86 2HD LYS 86 4.295 5.497 -9.125 647 HD3 LYS 86 3HD LYS 86 5.300 6.864 -9.606 648 HE2 LYS 86 2HE LYS 86 6.365 5.407 -11.339 649 HE3 LYS 86 3HE LYS 86 5.210 4.138 -10.928 650 HZ1 LYS 86 3HZ LYS 86 3.421 5.614 -11.585 651 HZ2 LYS 86 1HZ LYS 86 4.515 5.402 -12.853 652 HZ3 LYS 86 2HZ LYS 86 4.524 6.838 -11.964 653 H LEU 87 H LEU 87 9.314 5.188 -7.925 654 HA LEU 87 HA LEU 87 10.324 4.509 -10.504 655 HB2 LEU 87 2HB LEU 87 11.943 6.366 -10.245 656 HB3 LEU 87 3HB LEU 87 10.285 6.823 -9.936 657 HG LEU 87 HG LEU 87 10.911 6.627 -7.408 658 HD11 LEU 87 1HD1 LEU 87 13.234 7.106 -6.821 659 HD12 LEU 87 2HD1 LEU 87 13.717 6.907 -8.507 660 HD13 LEU 87 3HD1 LEU 87 13.081 5.534 -7.599 661 HD21 LEU 87 3HD2 LEU 87 11.699 8.952 -7.338 662 HD22 LEU 87 1HD2 LEU 87 10.380 8.748 -8.490 663 HD23 LEU 87 2HD2 LEU 87 12.041 8.897 -9.070 664 H LYS 88 H LYS 88 11.571 3.951 -7.228 665 HA LYS 88 HA LYS 88 13.990 2.708 -8.159 666 HB2 LYS 88 2HB LYS 88 14.431 2.151 -5.821 667 HB3 LYS 88 3HB LYS 88 13.945 3.822 -6.001 668 HG2 LYS 88 2HG LYS 88 12.851 3.249 -4.060 669 HG3 LYS 88 3HG LYS 88 11.587 2.993 -5.263 670 HD2 LYS 88 2HD LYS 88 12.056 0.563 -5.234 671 HD3 LYS 88 3HD LYS 88 13.338 0.826 -4.044 672 HE2 LYS 88 2HE LYS 88 11.670 1.697 -2.446 673 HE3 LYS 88 3HE LYS 88 10.387 1.430 -3.630 674 HZ1 LYS 88 3HZ LYS 88 10.563 -0.347 -1.985 675 HZ2 LYS 88 1HZ LYS 88 12.121 -0.696 -2.526 676 HZ3 LYS 88 2HZ LYS 88 10.799 -0.907 -3.556 677 H ALA 89 H ALA 89 10.751 1.498 -7.218 678 HA ALA 89 HA ALA 89 11.281 -1.225 -7.277 679 HB1 ALA 89 3HB ALA 89 9.220 -0.257 -6.362 680 HB2 ALA 89 1HB ALA 89 8.860 -1.531 -7.529 681 HB3 ALA 89 2HB ALA 89 8.689 0.167 -7.986 682 H GLU 90 H GLU 90 10.455 0.959 -9.954 683 HA GLU 90 HA GLU 90 10.247 -0.889 -12.042 684 HB2 GLU 90 2HB GLU 90 11.365 1.941 -12.085 685 HB3 GLU 90 3HB GLU 90 10.971 1.009 -13.532 686 HG2 GLU 90 2HG GLU 90 8.628 0.892 -12.841 687 HG3 GLU 90 3HG GLU 90 8.998 1.773 -11.366 688 H GLY 91 H GLY 91 13.035 0.200 -10.297 689 HA2 GLY 91 2HA GLY 91 15.046 -0.839 -12.105 690 HA3 GLY 91 3HA GLY 91 15.299 -0.172 -10.502 691 H LEU 92 H LEU 92 13.217 -2.087 -9.363 692 HA LEU 92 HA LEU 92 14.880 -4.139 -8.433 693 HB2 LEU 92 2HB LEU 92 11.839 -4.069 -8.583 694 HB3 LEU 92 3HB LEU 92 12.733 -5.325 -7.738 695 HG LEU 92 HG LEU 92 12.796 -2.366 -7.018 696 HD11 LEU 92 1HD1 LEU 92 11.463 -2.979 -5.043 697 HD12 LEU 92 2HD1 LEU 92 11.331 -4.636 -5.637 698 HD13 LEU 92 3HD1 LEU 92 10.595 -3.310 -6.541 699 HD21 LEU 92 3HD2 LEU 92 14.882 -3.499 -6.405 700 HD22 LEU 92 1HD2 LEU 92 13.974 -4.751 -5.551 701 HD23 LEU 92 2HD2 LEU 92 13.954 -3.083 -4.967 702 H GLU 93 H GLU 93 12.474 -4.218 -11.050 703 HA GLU 93 HA GLU 93 14.065 -6.305 -12.371 704 HB2 GLU 93 2HB GLU 93 11.964 -7.421 -13.182 705 HB3 GLU 93 3HB GLU 93 12.290 -7.622 -11.466 706 HG2 GLU 93 2HG GLU 93 10.581 -5.922 -10.931 707 HG3 GLU 93 3HG GLU 93 10.271 -5.682 -12.653 708 H HIS 94 H HIS 94 14.783 -4.111 -13.135 709 HA HIS 94 HA HIS 94 13.184 -2.886 -15.216 710 HB2 HIS 94 2HB HIS 94 14.824 -1.523 -13.903 711 HB3 HIS 94 3HB HIS 94 16.144 -2.453 -14.606 712 HD1 HIS 94 HD1 HIS 94 16.892 -1.841 -16.957 713 HD2 HIS 94 HD2 HIS 94 13.462 0.188 -15.781 714 HE1 HIS 94 HE1 HIS 94 16.489 -0.120 -18.738 715 HE2 HIS 94 HE2 HIS 94 14.509 1.196 -17.915 716 H HIS 95 H HIS 95 12.761 -4.814 -16.376 717 HA HIS 95 HA HIS 95 14.930 -5.844 -18.085 718 HB2 HIS 95 2HB HIS 95 13.460 -7.540 -17.024 719 HB3 HIS 95 3HB HIS 95 12.041 -6.785 -17.743 720 HD1 HIS 95 HD1 HIS 95 11.333 -7.747 -19.949 721 HD2 HIS 95 HD2 HIS 95 15.308 -8.565 -19.091 722 HE1 HIS 95 HE1 HIS 95 12.143 -9.186 -21.832 723 HE2 HIS 95 HE2 HIS 95 14.605 -9.458 -21.405 724 H HIS 96 H HIS 96 15.264 -4.609 -19.856 725 HA HIS 96 HA HIS 96 13.259 -2.870 -20.955 726 HB2 HIS 96 2HB HIS 96 14.901 -2.198 -22.579 727 HB3 HIS 96 3HB HIS 96 15.770 -2.442 -21.072 728 HD1 HIS 96 HD1 HIS 96 15.504 -3.676 -24.555 729 HD2 HIS 96 HD2 HIS 96 17.554 -4.703 -21.091 730 HE1 HIS 96 HE1 HIS 96 17.291 -5.268 -25.289 731 HE2 HIS 96 HE2 HIS 96 18.649 -5.696 -23.212 732 H HIS 97 H HIS 97 12.035 -3.112 -22.798 733 HA HIS 97 HA HIS 97 11.499 -5.732 -23.857 734 HB2 HIS 97 2HB HIS 97 10.568 -2.956 -24.742 735 HB3 HIS 97 3HB HIS 97 10.033 -4.449 -25.509 736 HD1 HIS 97 HD1 HIS 97 8.515 -6.048 -24.060 737 HD2 HIS 97 HD2 HIS 97 9.246 -2.320 -22.376 738 HE1 HIS 97 HE1 HIS 97 6.806 -5.786 -22.240 739 HE2 HIS 97 HE2 HIS 97 7.404 -3.613 -21.113 740 H HIS 98 H HIS 98 11.757 -6.340 -26.117 741 HA HIS 98 HA HIS 98 14.245 -5.644 -27.331 742 HB2 HIS 98 2HB HIS 98 13.102 -7.862 -27.658 743 HB3 HIS 98 3HB HIS 98 11.874 -7.056 -28.629 744 HD1 HIS 98 HD1 HIS 98 12.584 -6.248 -31.015 745 HD2 HIS 98 HD2 HIS 98 15.589 -8.223 -28.942 746 HE1 HIS 98 HE1 HIS 98 14.400 -6.659 -32.694 747 HE2 HIS 98 HE2 HIS 98 16.267 -7.708 -31.370 748 H HIS 99 H HIS 99 10.980 -4.446 -27.564 749 HA HIS 99 HA HIS 99 11.387 -2.727 -29.852 750 HB2 HIS 99 2HB HIS 99 9.137 -3.575 -29.303 751 HB3 HIS 99 3HB HIS 99 9.193 -2.788 -27.732 752 HD1 HIS 99 HD1 HIS 99 7.763 -0.781 -27.726 753 HD2 HIS 99 HD2 HIS 99 9.568 -1.311 -31.423 754 HE1 HIS 99 HE1 HIS 99 6.941 1.108 -29.144 755 HE2 HIS 99 HE2 HIS 99 8.183 0.866 -31.324 Start of MODEL 13 1 H1 GLU 1 1H GLU 1 -12.938 -0.177 16.985 2 H2 GLU 1 2H GLU 1 -12.277 0.319 18.444 3 H3 GLU 1 3H GLU 1 -13.348 -0.983 18.405 4 HA GLU 1 HA GLU 1 -10.644 -0.873 17.223 5 HB2 GLU 1 2HB GLU 1 -11.738 -2.598 19.494 6 HB3 GLU 1 3HB GLU 1 -10.071 -2.558 18.919 7 HG2 GLU 1 2HG GLU 1 -9.872 -0.202 19.674 8 HG3 GLU 1 3HG GLU 1 -11.528 -0.260 20.278 9 H ASP 2 H ASP 2 -13.303 -1.472 15.929 10 HA ASP 2 HA ASP 2 -13.551 -4.269 15.465 11 HB2 ASP 2 2HB ASP 2 -14.517 -2.004 13.658 12 HB3 ASP 2 3HB ASP 2 -15.115 -3.658 13.682 13 HA PRO 3 HA PRO 3 -10.234 -4.535 12.308 14 HB2 PRO 3 2HB PRO 3 -10.644 -7.112 11.503 15 HB3 PRO 3 3HB PRO 3 -9.886 -6.726 13.058 16 HG2 PRO 3 2HG PRO 3 -12.760 -7.445 12.475 17 HG3 PRO 3 3HG PRO 3 -11.690 -8.073 13.750 18 HD2 PRO 3 2HD PRO 3 -13.534 -6.122 14.220 19 HD3 PRO 3 3HD PRO 3 -11.992 -6.187 15.100 20 H GLU 4 H GLU 4 -13.553 -4.367 11.887 21 HA GLU 4 HA GLU 4 -13.678 -4.502 9.013 22 HB2 GLU 4 2HB GLU 4 -15.592 -3.337 11.081 23 HB3 GLU 4 3HB GLU 4 -15.968 -3.525 9.367 24 HG2 GLU 4 2HG GLU 4 -15.723 -5.973 9.575 25 HG3 GLU 4 3HG GLU 4 -15.312 -5.793 11.282 26 H ASP 5 H ASP 5 -13.004 -2.043 11.426 27 HA ASP 5 HA ASP 5 -13.332 0.249 9.731 28 HB2 ASP 5 2HB ASP 5 -12.172 -0.178 12.500 29 HB3 ASP 5 3HB ASP 5 -11.955 1.367 11.690 30 HA PRO 6 HA PRO 6 -9.793 0.336 7.178 31 HB2 PRO 6 2HB PRO 6 -9.448 3.230 7.958 32 HB3 PRO 6 3HB PRO 6 -9.526 2.506 6.344 33 HG2 PRO 6 2HG PRO 6 -11.630 3.793 7.347 34 HG3 PRO 6 3HG PRO 6 -11.860 2.296 6.415 35 HD2 PRO 6 2HD PRO 6 -11.995 2.726 9.386 36 HD3 PRO 6 3HD PRO 6 -12.966 1.652 8.356 37 H PHE 7 H PHE 7 -8.938 2.546 9.843 38 HA PHE 7 HA PHE 7 -6.147 2.167 9.625 39 HB2 PHE 7 2HB PHE 7 -6.999 4.229 10.573 40 HB3 PHE 7 3HB PHE 7 -7.830 3.363 11.856 41 HD1 PHE 7 HD2 PHE 7 -4.361 3.921 10.523 42 HD2 PHE 7 HD1 PHE 7 -6.791 3.251 13.973 43 HE1 PHE 7 HE2 PHE 7 -2.399 4.203 11.968 44 HE2 PHE 7 HE1 PHE 7 -4.819 3.530 15.414 45 HZ PHE 7 HZ PHE 7 -2.618 4.007 14.411 46 H THR 8 H THR 8 -8.590 0.650 11.666 47 HA THR 8 HA THR 8 -6.899 -0.623 13.526 48 HB THR 8 HB THR 8 -9.647 -1.596 12.613 49 HG1 THR 8 HG1 THR 8 -9.080 0.264 14.685 50 HG21 THR 8 3HG2 THR 8 -8.457 -3.161 14.125 51 HG22 THR 8 1HG2 THR 8 -9.852 -2.431 14.925 52 HG23 THR 8 2HG2 THR 8 -8.226 -1.855 15.289 53 H ARG 9 H ARG 9 -8.439 -1.819 10.524 54 HA ARG 9 HA ARG 9 -7.209 -4.423 10.614 55 HB2 ARG 9 2HB ARG 9 -8.359 -4.925 8.600 56 HB3 ARG 9 3HB ARG 9 -9.447 -3.950 9.572 57 HG2 ARG 9 2HG ARG 9 -8.491 -1.968 8.098 58 HG3 ARG 9 3HG ARG 9 -8.069 -3.274 6.991 59 HD2 ARG 9 2HD ARG 9 -10.526 -4.020 7.281 60 HD3 ARG 9 3HD ARG 9 -10.806 -2.424 7.950 61 HE ARG 9 HE ARG 9 -9.693 -2.851 5.244 62 HH11 ARG 9 1HH1 ARG 9 -11.968 -1.161 7.331 63 HH12 ARG 9 2HH1 ARG 9 -12.686 -0.292 6.015 64 HH21 ARG 9 1HH2 ARG 9 -10.678 -1.694 3.566 65 HH22 ARG 9 2HH2 ARG 9 -11.935 -0.562 3.924 66 H TYR 10 H TYR 10 -6.379 -1.364 9.200 67 HA TYR 10 HA TYR 10 -4.294 -2.138 7.453 68 HB2 TYR 10 2HB TYR 10 -5.092 0.112 7.281 69 HB3 TYR 10 3HB TYR 10 -4.884 0.410 8.999 70 HD1 TYR 10 HD2 TYR 10 -2.851 -0.362 5.922 71 HD2 TYR 10 HD1 TYR 10 -2.989 1.609 9.712 72 HE1 TYR 10 HE2 TYR 10 -0.642 0.629 5.492 73 HE2 TYR 10 HE1 TYR 10 -0.783 2.590 9.284 74 HH TYR 10 HH TYR 10 1.200 2.116 7.925 75 H ALA 11 H ALA 11 -4.230 -1.088 10.851 76 HA ALA 11 HA ALA 11 -1.477 -1.545 11.353 77 HB1 ALA 11 3HB ALA 11 -2.859 -0.053 12.759 78 HB2 ALA 11 1HB ALA 11 -2.081 -1.299 13.737 79 HB3 ALA 11 2HB ALA 11 -3.794 -1.439 13.325 80 H LEU 12 H LEU 12 -4.362 -3.530 11.619 81 HA LEU 12 HA LEU 12 -3.295 -5.836 12.872 82 HB2 LEU 12 2HB LEU 12 -5.713 -5.415 12.716 83 HB3 LEU 12 3HB LEU 12 -5.640 -5.481 10.967 84 HG LEU 12 HG LEU 12 -5.064 -7.920 11.109 85 HD11 LEU 12 1HD1 LEU 12 -5.612 -7.627 14.075 86 HD12 LEU 12 2HD1 LEU 12 -4.050 -7.986 13.333 87 HD13 LEU 12 3HD1 LEU 12 -5.371 -9.142 13.201 88 HD21 LEU 12 3HD2 LEU 12 -7.334 -8.688 11.665 89 HD22 LEU 12 1HD2 LEU 12 -7.381 -7.207 10.710 90 HD23 LEU 12 2HD2 LEU 12 -7.681 -7.146 12.448 91 H ALA 13 H ALA 13 -3.551 -4.824 9.491 92 HA ALA 13 HA ALA 13 -2.604 -7.193 8.251 93 HB1 ALA 13 3HB ALA 13 -3.832 -5.459 7.010 94 HB2 ALA 13 1HB ALA 13 -2.278 -5.798 6.248 95 HB3 ALA 13 2HB ALA 13 -2.489 -4.339 7.219 96 H GLN 14 H GLN 14 -0.969 -4.257 9.404 97 HA GLN 14 HA GLN 14 1.665 -4.936 8.661 98 HB2 GLN 14 2HB GLN 14 0.726 -3.247 11.013 99 HB3 GLN 14 3HB GLN 14 2.366 -3.270 10.363 100 HG2 GLN 14 2HG GLN 14 1.492 -2.401 8.203 101 HG3 GLN 14 3HG GLN 14 -0.120 -2.319 8.917 102 HE21 GLN 14 1HE2 GLN 14 3.110 -0.972 8.981 103 HE22 GLN 14 2HE2 GLN 14 2.707 0.474 9.829 104 H GLU 15 H GLU 15 -0.209 -5.660 11.614 105 HA GLU 15 HA GLU 15 1.740 -7.066 13.086 106 HB2 GLU 15 2HB GLU 15 -1.284 -7.485 13.009 107 HB3 GLU 15 3HB GLU 15 -0.220 -8.219 14.202 108 HG2 GLU 15 2HG GLU 15 -0.590 -5.228 13.846 109 HG3 GLU 15 3HG GLU 15 -1.470 -6.213 15.012 110 H HIS 16 H HIS 16 -0.576 -8.196 10.619 111 HA HIS 16 HA HIS 16 0.141 -10.914 10.609 112 HB2 HIS 16 2HB HIS 16 -1.163 -9.167 8.497 113 HB3 HIS 16 3HB HIS 16 -0.775 -10.849 8.163 114 HD1 HIS 16 HD1 HIS 16 -1.939 -12.643 9.843 115 HD2 HIS 16 HD2 HIS 16 -3.567 -8.823 9.825 116 HE1 HIS 16 HE1 HIS 16 -4.212 -12.876 10.872 117 HE2 HIS 16 HE2 HIS 16 -5.135 -10.541 10.924 118 H LEU 17 H LEU 17 1.544 -8.174 8.770 119 HA LEU 17 HA LEU 17 3.394 -9.642 7.227 120 HB2 LEU 17 2HB LEU 17 3.538 -6.794 8.282 121 HB3 LEU 17 3HB LEU 17 4.716 -7.463 7.162 122 HG LEU 17 HG LEU 17 1.745 -7.166 6.560 123 HD11 LEU 17 1HD1 LEU 17 2.812 -4.969 6.753 124 HD12 LEU 17 2HD1 LEU 17 2.373 -5.314 5.083 125 HD13 LEU 17 3HD1 LEU 17 4.057 -5.452 5.598 126 HD21 LEU 17 3HD2 LEU 17 4.047 -7.966 4.743 127 HD22 LEU 17 1HD2 LEU 17 2.377 -7.690 4.235 128 HD23 LEU 17 2HD2 LEU 17 2.755 -9.022 5.324 129 H LYS 18 H LYS 18 3.580 -8.371 10.525 130 HA LYS 18 HA LYS 18 6.299 -9.055 11.054 131 HB2 LYS 18 2HB LYS 18 3.982 -8.575 12.974 132 HB3 LYS 18 3HB LYS 18 5.674 -8.686 13.454 133 HG2 LYS 18 2HG LYS 18 6.177 -6.684 12.068 134 HG3 LYS 18 3HG LYS 18 4.469 -6.565 11.644 135 HD2 LYS 18 2HD LYS 18 5.042 -4.976 13.441 136 HD3 LYS 18 3HD LYS 18 3.893 -6.185 14.022 137 HE2 LYS 18 2HE LYS 18 5.675 -5.718 15.681 138 HE3 LYS 18 3HE LYS 18 5.709 -7.398 15.148 139 HZ1 LYS 18 3HZ LYS 18 7.497 -5.236 14.164 140 HZ2 LYS 18 1HZ LYS 18 7.528 -6.849 13.653 141 HZ3 LYS 18 2HZ LYS 18 7.916 -6.464 15.248 142 H HIS 19 H HIS 19 3.242 -10.764 11.377 143 HA HIS 19 HA HIS 19 4.440 -13.116 12.661 144 HB2 HIS 19 2HB HIS 19 1.574 -12.450 11.876 145 HB3 HIS 19 3HB HIS 19 2.051 -13.983 12.599 146 HD1 HIS 19 HD1 HIS 19 0.835 -13.759 14.801 147 HD2 HIS 19 HD2 HIS 19 3.250 -10.480 13.989 148 HE1 HIS 19 HE1 HIS 19 0.799 -12.357 16.883 149 HE2 HIS 19 HE2 HIS 19 2.199 -10.340 16.335 150 H ASP 20 H ASP 20 4.746 -12.121 9.672 151 HA ASP 20 HA ASP 20 5.444 -13.083 7.762 152 HB2 ASP 20 2HB ASP 20 6.584 -14.719 9.218 153 HB3 ASP 20 3HB ASP 20 5.129 -15.700 9.277 154 H ASN 21 H ASN 21 2.428 -13.151 8.766 155 HA ASN 21 HA ASN 21 1.096 -14.762 6.758 156 HB2 ASN 21 2HB ASN 21 -0.082 -12.729 8.709 157 HB3 ASN 21 3HB ASN 21 -0.971 -13.959 7.825 158 HD21 ASN 21 1HD2 ASN 21 0.825 -16.150 8.285 159 HD22 ASN 21 2HD2 ASN 21 0.709 -16.544 9.959 160 H ALA 22 H ALA 22 2.517 -13.409 5.177 161 HA ALA 22 HA ALA 22 1.921 -10.731 4.521 162 HB1 ALA 22 3HB ALA 22 3.998 -11.857 3.855 163 HB2 ALA 22 1HB ALA 22 3.156 -11.231 2.440 164 HB3 ALA 22 2HB ALA 22 3.093 -12.955 2.810 165 H SER 23 H SER 23 0.715 -13.822 3.259 166 HA SER 23 HA SER 23 -0.976 -12.932 1.224 167 HB2 SER 23 2HB SER 23 -2.106 -15.162 1.516 168 HB3 SER 23 3HB SER 23 -0.348 -15.276 1.452 169 HG SER 23 HG SER 23 -1.335 -16.524 3.160 170 H ARG 24 H ARG 24 -1.650 -13.288 4.737 171 HA ARG 24 HA ARG 24 -4.459 -12.728 4.543 172 HB2 ARG 24 2HB ARG 24 -2.569 -12.694 6.951 173 HB3 ARG 24 3HB ARG 24 -4.327 -12.640 7.044 174 HG2 ARG 24 2HG ARG 24 -2.657 -14.956 5.997 175 HG3 ARG 24 3HG ARG 24 -3.513 -14.887 7.542 176 HD2 ARG 24 2HD ARG 24 -5.659 -14.749 6.369 177 HD3 ARG 24 3HD ARG 24 -4.833 -14.763 4.806 178 HE ARG 24 HE ARG 24 -4.266 -17.045 6.499 179 HH11 ARG 24 1HH1 ARG 24 -6.405 -15.804 3.996 180 HH12 ARG 24 2HH1 ARG 24 -6.924 -17.381 3.498 181 HH21 ARG 24 1HH2 ARG 24 -4.970 -19.103 5.840 182 HH22 ARG 24 2HH2 ARG 24 -6.123 -19.246 4.550 183 H ALA 25 H ALA 25 -1.550 -10.911 5.360 184 HA ALA 25 HA ALA 25 -2.653 -8.409 6.035 185 HB1 ALA 25 3HB ALA 25 0.016 -9.029 4.714 186 HB2 ALA 25 1HB ALA 25 -0.297 -9.011 6.451 187 HB3 ALA 25 2HB ALA 25 -0.410 -7.518 5.522 188 H LEU 26 H LEU 26 -1.900 -9.942 2.989 189 HA LEU 26 HA LEU 26 -1.909 -7.736 1.229 190 HB2 LEU 26 2HB LEU 26 -0.971 -10.017 0.729 191 HB3 LEU 26 3HB LEU 26 -2.606 -10.639 0.633 192 HG LEU 26 HG LEU 26 -3.025 -9.115 -1.325 193 HD11 LEU 26 1HD1 LEU 26 -1.153 -8.071 -2.485 194 HD12 LEU 26 2HD1 LEU 26 -0.049 -8.560 -1.199 195 HD13 LEU 26 3HD1 LEU 26 -1.336 -7.399 -0.867 196 HD21 LEU 26 3HD2 LEU 26 -1.781 -10.463 -2.951 197 HD22 LEU 26 1HD2 LEU 26 -2.433 -11.479 -1.665 198 HD23 LEU 26 2HD2 LEU 26 -0.717 -11.055 -1.675 199 H ALA 27 H ALA 27 -4.384 -10.152 1.974 200 HA ALA 27 HA ALA 27 -6.547 -9.167 0.535 201 HB1 ALA 27 3HB ALA 27 -7.949 -10.510 2.043 202 HB2 ALA 27 1HB ALA 27 -6.603 -10.653 3.181 203 HB3 ALA 27 2HB ALA 27 -6.492 -11.390 1.581 204 H LEU 28 H LEU 28 -5.575 -8.358 3.905 205 HA LEU 28 HA LEU 28 -7.740 -6.623 4.473 206 HB2 LEU 28 2HB LEU 28 -4.948 -6.701 5.656 207 HB3 LEU 28 3HB LEU 28 -6.245 -5.700 6.291 208 HG LEU 28 HG LEU 28 -6.226 -8.745 6.214 209 HD11 LEU 28 1HD1 LEU 28 -4.694 -7.838 7.889 210 HD12 LEU 28 2HD1 LEU 28 -6.079 -8.604 8.660 211 HD13 LEU 28 3HD1 LEU 28 -5.987 -6.843 8.567 212 HD21 LEU 28 3HD2 LEU 28 -8.345 -6.875 7.340 213 HD22 LEU 28 1HD2 LEU 28 -8.323 -8.633 7.511 214 HD23 LEU 28 2HD2 LEU 28 -8.515 -7.907 5.919 215 H PHE 29 H PHE 29 -4.538 -5.934 3.044 216 HA PHE 29 HA PHE 29 -4.835 -3.099 2.966 217 HB2 PHE 29 2HB PHE 29 -3.023 -4.975 1.408 218 HB3 PHE 29 3HB PHE 29 -2.975 -3.232 1.203 219 HD1 PHE 29 HD2 PHE 29 -3.024 -2.117 3.865 220 HD2 PHE 29 HD1 PHE 29 -1.078 -5.670 2.503 221 HE1 PHE 29 HE2 PHE 29 -1.375 -1.920 5.680 222 HE2 PHE 29 HE1 PHE 29 0.573 -5.461 4.318 223 HZ PHE 29 HZ PHE 29 0.422 -3.589 5.911 224 H GLU 30 H GLU 30 -5.443 -5.661 0.555 225 HA GLU 30 HA GLU 30 -6.392 -4.046 -1.542 226 HB2 GLU 30 2HB GLU 30 -7.115 -6.912 -0.835 227 HB3 GLU 30 3HB GLU 30 -7.540 -6.126 -2.351 228 HG2 GLU 30 2HG GLU 30 -5.122 -5.838 -2.862 229 HG3 GLU 30 3HG GLU 30 -4.729 -6.689 -1.367 230 H GLU 31 H GLU 31 -8.007 -5.337 1.332 231 HA GLU 31 HA GLU 31 -10.700 -4.741 0.696 232 HB2 GLU 31 2HB GLU 31 -9.980 -6.254 2.569 233 HB3 GLU 31 3HB GLU 31 -9.324 -4.870 3.429 234 HG2 GLU 31 2HG GLU 31 -11.436 -5.442 4.416 235 HG3 GLU 31 3HG GLU 31 -11.629 -3.910 3.563 236 H LEU 32 H LEU 32 -8.101 -2.974 2.282 237 HA LEU 32 HA LEU 32 -9.405 -0.622 3.034 238 HB2 LEU 32 2HB LEU 32 -6.527 -1.138 2.253 239 HB3 LEU 32 3HB LEU 32 -7.068 0.418 2.852 240 HG LEU 32 HG LEU 32 -7.304 -2.154 4.459 241 HD11 LEU 32 1HD1 LEU 32 -5.339 -1.452 5.718 242 HD12 LEU 32 2HD1 LEU 32 -5.140 -0.040 4.678 243 HD13 LEU 32 3HD1 LEU 32 -4.922 -1.661 4.018 244 HD21 LEU 32 3HD2 LEU 32 -8.872 -0.396 5.116 245 HD22 LEU 32 1HD2 LEU 32 -7.542 0.758 5.273 246 HD23 LEU 32 2HD2 LEU 32 -7.640 -0.641 6.348 247 H VAL 33 H VAL 33 -7.678 -1.410 -0.008 248 HA VAL 33 HA VAL 33 -7.984 1.058 -1.297 249 HB VAL 33 HB VAL 33 -7.793 -1.724 -2.540 250 HG11 VAL 33 1HG1 VAL 33 -7.300 0.979 -3.860 251 HG12 VAL 33 2HG1 VAL 33 -8.617 -0.136 -4.221 252 HG13 VAL 33 3HG1 VAL 33 -6.955 -0.595 -4.589 253 HG21 VAL 33 3HG2 VAL 33 -5.375 -1.233 -2.758 254 HG22 VAL 33 1HG2 VAL 33 -5.896 -1.216 -1.072 255 HG23 VAL 33 2HG2 VAL 33 -5.612 0.304 -1.923 256 H GLU 34 H GLU 34 -9.984 -1.892 -1.723 257 HA GLU 34 HA GLU 34 -11.695 -0.828 -3.647 258 HB2 GLU 34 2HB GLU 34 -13.137 -2.793 -3.236 259 HB3 GLU 34 3HB GLU 34 -11.437 -3.207 -3.383 260 HG2 GLU 34 2HG GLU 34 -11.318 -3.295 -0.858 261 HG3 GLU 34 3HG GLU 34 -13.071 -3.106 -0.831 262 H THR 35 H THR 35 -12.118 -0.831 -0.096 263 HA THR 35 HA THR 35 -14.805 0.347 -0.342 264 HB THR 35 HB THR 35 -14.936 0.061 2.119 265 HG1 THR 35 HG1 THR 35 -12.603 0.338 2.433 266 HG21 THR 35 3HG2 THR 35 -13.902 -2.448 0.757 267 HG22 THR 35 1HG2 THR 35 -15.558 -1.856 0.662 268 HG23 THR 35 2HG2 THR 35 -14.903 -2.393 2.211 269 H ASP 36 H ASP 36 -11.517 1.272 0.509 270 HA ASP 36 HA ASP 36 -12.350 4.047 1.154 271 HB2 ASP 36 2HB ASP 36 -10.234 2.462 2.696 272 HB3 ASP 36 3HB ASP 36 -10.654 4.149 2.977 273 HA PRO 37 HA PRO 37 -9.039 3.568 -2.160 274 HB2 PRO 37 2HB PRO 37 -10.140 5.176 -4.077 275 HB3 PRO 37 3HB PRO 37 -10.653 3.501 -3.843 276 HG2 PRO 37 2HG PRO 37 -11.935 6.037 -2.833 277 HG3 PRO 37 3HG PRO 37 -12.698 4.634 -3.616 278 HD2 PRO 37 2HD PRO 37 -12.706 4.985 -0.914 279 HD3 PRO 37 3HD PRO 37 -12.674 3.370 -1.658 280 H ASP 38 H ASP 38 -9.958 6.030 -0.123 281 HA ASP 38 HA ASP 38 -8.155 8.091 -1.232 282 HB2 ASP 38 2HB ASP 38 -10.220 8.224 1.005 283 HB3 ASP 38 3HB ASP 38 -9.212 9.582 0.509 284 H TYR 39 H TYR 39 -8.318 5.653 1.205 285 HA TYR 39 HA TYR 39 -6.557 6.799 3.124 286 HB2 TYR 39 2HB TYR 39 -8.237 4.927 3.545 287 HB3 TYR 39 3HB TYR 39 -7.135 3.829 2.718 288 HD1 TYR 39 HD1 TYR 39 -6.215 6.580 5.110 289 HD2 TYR 39 HD2 TYR 39 -6.555 2.359 4.524 290 HE1 TYR 39 HE1 TYR 39 -5.087 6.190 7.248 291 HE2 TYR 39 HE2 TYR 39 -5.416 1.980 6.664 292 HH TYR 39 HH TYR 39 -4.925 4.460 8.945 293 H VAL 40 H VAL 40 -4.612 7.412 2.518 294 HA VAL 40 HA VAL 40 -3.191 6.400 0.266 295 HB VAL 40 HB VAL 40 -2.078 8.256 2.413 296 HG11 VAL 40 1HG1 VAL 40 -1.360 7.914 -0.522 297 HG12 VAL 40 2HG1 VAL 40 -0.390 7.415 0.867 298 HG13 VAL 40 3HG1 VAL 40 -0.678 9.127 0.566 299 HG21 VAL 40 3HG2 VAL 40 -2.906 10.159 1.070 300 HG22 VAL 40 1HG2 VAL 40 -4.237 9.150 1.645 301 HG23 VAL 40 2HG2 VAL 40 -3.708 9.040 -0.035 302 H GLY 41 H GLY 41 -2.890 5.911 3.742 303 HA2 GLY 41 2HA GLY 41 -0.245 4.978 3.953 304 HA3 GLY 41 3HA GLY 41 -1.547 4.617 5.078 305 H THR 42 H THR 42 -3.196 3.337 3.075 306 HA THR 42 HA THR 42 -2.504 0.658 3.108 307 HB THR 42 HB THR 42 -4.179 2.153 1.044 308 HG1 THR 42 HG1 THR 42 -5.802 2.002 2.450 309 HG21 THR 42 3HG2 THR 42 -4.182 -0.791 1.819 310 HG22 THR 42 1HG2 THR 42 -3.646 -0.118 0.276 311 HG23 THR 42 2HG2 THR 42 -5.344 -0.017 0.740 312 H TYR 43 H TYR 43 -2.154 3.012 0.469 313 HA TYR 43 HA TYR 43 -1.523 1.164 -1.524 314 HB2 TYR 43 2HB TYR 43 -1.167 4.174 -1.389 315 HB3 TYR 43 3HB TYR 43 -0.853 3.242 -2.853 316 HD1 TYR 43 HD2 TYR 43 -2.787 1.718 -3.702 317 HD2 TYR 43 HD1 TYR 43 -3.409 4.959 -0.987 318 HE1 TYR 43 HE2 TYR 43 -5.156 1.771 -4.305 319 HE2 TYR 43 HE1 TYR 43 -5.790 4.999 -1.602 320 HH TYR 43 HH TYR 43 -7.185 4.314 -3.527 321 H TYR 44 H TYR 44 0.680 3.265 0.370 322 HA TYR 44 HA TYR 44 3.082 2.509 -0.726 323 HB2 TYR 44 2HB TYR 44 2.709 4.267 1.056 324 HB3 TYR 44 3HB TYR 44 2.568 2.978 2.247 325 HD1 TYR 44 HD2 TYR 44 4.925 4.410 -0.293 326 HD2 TYR 44 HD1 TYR 44 4.552 2.133 3.302 327 HE1 TYR 44 HE2 TYR 44 7.372 4.410 -0.031 328 HE2 TYR 44 HE1 TYR 44 6.999 2.132 3.557 329 HH TYR 44 HH TYR 44 9.021 4.190 1.804 330 H HIS 45 H HIS 45 1.639 1.014 2.185 331 HA HIS 45 HA HIS 45 3.573 -1.040 2.427 332 HB2 HIS 45 2HB HIS 45 0.795 -0.802 3.660 333 HB3 HIS 45 3HB HIS 45 1.966 -2.042 4.108 334 HD1 HIS 45 HD1 HIS 45 3.387 -1.456 6.034 335 HD2 HIS 45 HD2 HIS 45 1.989 1.925 4.088 336 HE1 HIS 45 HE1 HIS 45 4.211 0.486 7.394 337 HE2 HIS 45 HE2 HIS 45 3.442 2.524 6.130 338 H LEU 46 H LEU 46 0.520 -0.988 0.712 339 HA LEU 46 HA LEU 46 0.287 -3.811 0.274 340 HB2 LEU 46 2HB LEU 46 -1.703 -2.398 0.178 341 HB3 LEU 46 3HB LEU 46 -1.013 -1.446 -1.124 342 HG LEU 46 HG LEU 46 -1.173 -3.380 -2.662 343 HD11 LEU 46 1HD1 LEU 46 -2.320 -5.440 -2.070 344 HD12 LEU 46 2HD1 LEU 46 -2.508 -4.900 -0.405 345 HD13 LEU 46 3HD1 LEU 46 -0.899 -5.220 -1.053 346 HD21 LEU 46 3HD2 LEU 46 -3.609 -3.459 -2.903 347 HD22 LEU 46 1HD2 LEU 46 -3.053 -1.822 -2.558 348 HD23 LEU 46 2HD2 LEU 46 -3.805 -2.783 -1.282 349 H GLY 47 H GLY 47 1.592 -1.066 -1.579 350 HA2 GLY 47 2HA GLY 47 2.302 -2.504 -3.937 351 HA3 GLY 47 3HA GLY 47 2.924 -0.941 -3.431 352 H LYS 48 H LYS 48 4.070 -1.601 -0.989 353 HA LYS 48 HA LYS 48 6.620 -2.597 -1.628 354 HB2 LYS 48 2HB LYS 48 5.292 -2.441 1.120 355 HB3 LYS 48 3HB LYS 48 7.011 -2.694 0.844 356 HG2 LYS 48 2HG LYS 48 5.433 -0.187 0.202 357 HG3 LYS 48 3HG LYS 48 6.556 -0.401 1.535 358 HD2 LYS 48 2HD LYS 48 7.335 -0.479 -1.406 359 HD3 LYS 48 3HD LYS 48 7.454 0.947 -0.381 360 HE2 LYS 48 2HE LYS 48 9.645 0.003 -0.499 361 HE3 LYS 48 3HE LYS 48 9.032 -0.385 1.107 362 HZ1 LYS 48 3HZ LYS 48 8.565 -2.602 0.390 363 HZ2 LYS 48 1HZ LYS 48 10.166 -2.241 0.006 364 HZ3 LYS 48 2HZ LYS 48 8.986 -2.245 -1.206 365 H LEU 49 H LEU 49 3.770 -4.112 -0.219 366 HA LEU 49 HA LEU 49 4.874 -6.659 0.343 367 HB2 LEU 49 2HB LEU 49 2.861 -5.789 1.432 368 HB3 LEU 49 3HB LEU 49 1.999 -5.781 -0.096 369 HG LEU 49 HG LEU 49 1.898 -8.208 -0.145 370 HD11 LEU 49 1HD1 LEU 49 4.109 -8.770 0.731 371 HD12 LEU 49 2HD1 LEU 49 2.851 -9.639 1.603 372 HD13 LEU 49 3HD1 LEU 49 3.625 -8.240 2.344 373 HD21 LEU 49 3HD2 LEU 49 0.183 -7.076 1.204 374 HD22 LEU 49 1HD2 LEU 49 1.203 -7.207 2.643 375 HD23 LEU 49 2HD2 LEU 49 0.564 -8.660 1.869 376 H TYR 50 H TYR 50 3.070 -5.399 -2.476 377 HA TYR 50 HA TYR 50 3.021 -7.703 -4.046 378 HB2 TYR 50 2HB TYR 50 3.101 -4.763 -4.804 379 HB3 TYR 50 3HB TYR 50 3.098 -6.008 -6.049 380 HD1 TYR 50 HD2 TYR 50 1.217 -8.003 -4.950 381 HD2 TYR 50 HD1 TYR 50 0.956 -3.733 -4.975 382 HE1 TYR 50 HE2 TYR 50 -1.225 -8.149 -4.848 383 HE2 TYR 50 HE1 TYR 50 -1.496 -3.893 -4.884 384 HH TYR 50 HH TYR 50 -3.264 -5.430 -5.327 385 H GLU 51 H GLU 51 5.644 -5.275 -3.745 386 HA GLU 51 HA GLU 51 7.395 -6.304 -5.701 387 HB2 GLU 51 2HB GLU 51 8.150 -4.955 -3.085 388 HB3 GLU 51 3HB GLU 51 9.215 -5.165 -4.471 389 HG2 GLU 51 2HG GLU 51 7.658 -3.726 -5.804 390 HG3 GLU 51 3HG GLU 51 6.732 -3.439 -4.330 391 H ARG 52 H ARG 52 6.931 -7.214 -2.307 392 HA ARG 52 HA ARG 52 9.059 -9.041 -1.967 393 HB2 ARG 52 2HB ARG 52 6.308 -9.202 -0.650 394 HB3 ARG 52 3HB ARG 52 7.794 -9.942 -0.058 395 HG2 ARG 52 2HG ARG 52 8.741 -7.721 0.407 396 HG3 ARG 52 3HG ARG 52 7.305 -6.954 -0.270 397 HD2 ARG 52 2HD ARG 52 5.956 -8.184 1.528 398 HD3 ARG 52 3HD ARG 52 7.506 -8.597 2.270 399 HE ARG 52 HE ARG 52 7.224 -5.793 1.773 400 HH11 ARG 52 1HH1 ARG 52 6.281 -8.285 4.070 401 HH12 ARG 52 2HH1 ARG 52 6.188 -7.176 5.398 402 HH21 ARG 52 1HH2 ARG 52 7.106 -4.380 3.520 403 HH22 ARG 52 2HH2 ARG 52 6.661 -4.979 5.084 404 H LEU 53 H LEU 53 5.800 -9.422 -3.261 405 HA LEU 53 HA LEU 53 5.956 -12.303 -3.638 406 HB2 LEU 53 2HB LEU 53 3.866 -10.323 -4.624 407 HB3 LEU 53 3HB LEU 53 3.672 -12.063 -4.484 408 HG LEU 53 HG LEU 53 3.989 -10.138 -2.146 409 HD11 LEU 53 1HD1 LEU 53 1.618 -10.573 -1.674 410 HD12 LEU 53 2HD1 LEU 53 1.496 -11.543 -3.145 411 HD13 LEU 53 3HD1 LEU 53 1.843 -9.815 -3.250 412 HD21 LEU 53 3HD2 LEU 53 4.906 -12.329 -1.583 413 HD22 LEU 53 1HD2 LEU 53 3.420 -13.122 -2.122 414 HD23 LEU 53 2HD2 LEU 53 3.399 -12.059 -0.713 415 H ASP 54 H ASP 54 7.622 -10.102 -5.222 416 HA ASP 54 HA ASP 54 8.431 -9.599 -7.251 417 HB2 ASP 54 2HB ASP 54 8.967 -12.089 -7.118 418 HB3 ASP 54 3HB ASP 54 7.542 -12.387 -8.104 419 H ARG 55 H ARG 55 5.504 -9.242 -6.686 420 HA ARG 55 HA ARG 55 4.294 -8.948 -9.349 421 HB2 ARG 55 2HB ARG 55 3.149 -8.231 -6.603 422 HB3 ARG 55 3HB ARG 55 2.254 -8.262 -8.116 423 HG2 ARG 55 2HG ARG 55 3.372 -10.630 -6.589 424 HG3 ARG 55 3HG ARG 55 1.673 -10.206 -6.813 425 HD2 ARG 55 2HD ARG 55 3.623 -11.176 -8.928 426 HD3 ARG 55 3HD ARG 55 2.227 -12.049 -8.288 427 HE ARG 55 HE ARG 55 1.327 -9.638 -9.391 428 HH11 ARG 55 1HH1 ARG 55 2.668 -12.704 -10.491 429 HH12 ARG 55 2HH1 ARG 55 1.989 -12.554 -12.078 430 HH21 ARG 55 1HH2 ARG 55 0.487 -9.447 -11.464 431 HH22 ARG 55 2HH2 ARG 55 0.765 -10.696 -12.639 432 H THR 56 H THR 56 6.496 -7.504 -9.320 433 HA THR 56 HA THR 56 6.571 -4.997 -8.051 434 HB THR 56 HB THR 56 7.976 -5.848 -10.624 435 HG1 THR 56 HG1 THR 56 9.371 -6.908 -9.393 436 HG21 THR 56 3HG2 THR 56 8.762 -3.743 -8.569 437 HG22 THR 56 1HG2 THR 56 8.160 -3.417 -10.199 438 HG23 THR 56 2HG2 THR 56 9.712 -4.220 -9.976 439 H ASP 57 H ASP 57 5.194 -6.025 -11.125 440 HA ASP 57 HA ASP 57 4.620 -3.504 -12.285 441 HB2 ASP 57 2HB ASP 57 4.561 -5.536 -13.628 442 HB3 ASP 57 3HB ASP 57 3.322 -6.242 -12.601 443 H ASP 58 H ASP 58 2.676 -5.692 -10.258 444 HA ASP 58 HA ASP 58 0.321 -4.114 -10.083 445 HB2 ASP 58 2HB ASP 58 1.410 -6.179 -8.119 446 HB3 ASP 58 3HB ASP 58 -0.238 -5.539 -8.099 447 H ALA 59 H ALA 59 3.312 -4.191 -8.244 448 HA ALA 59 HA ALA 59 2.677 -2.444 -6.136 449 HB1 ALA 59 3HB ALA 59 4.728 -3.814 -6.160 450 HB2 ALA 59 1HB ALA 59 5.110 -2.108 -5.911 451 HB3 ALA 59 2HB ALA 59 5.368 -2.849 -7.490 452 H ILE 60 H ILE 60 4.138 -1.767 -9.350 453 HA ILE 60 HA ILE 60 4.501 0.992 -9.216 454 HB ILE 60 HB ILE 60 3.698 -0.628 -11.681 455 HG12 ILE 60 2HG1 ILE 60 5.774 -1.502 -10.695 456 HG13 ILE 60 3HG1 ILE 60 6.147 -0.688 -12.204 457 HG21 ILE 60 1HG2 ILE 60 4.738 1.193 -13.031 458 HG22 ILE 60 2HG2 ILE 60 4.958 2.137 -11.556 459 HG23 ILE 60 3HG2 ILE 60 3.333 1.745 -12.117 460 HD11 ILE 60 3HD1 ILE 60 7.811 -0.197 -10.546 461 HD12 ILE 60 1HD1 ILE 60 6.581 0.400 -9.430 462 HD13 ILE 60 2HD1 ILE 60 6.907 1.265 -10.933 463 H ASP 61 H ASP 61 1.659 -0.840 -10.230 464 HA ASP 61 HA ASP 61 -0.048 1.279 -10.942 465 HB2 ASP 61 2HB ASP 61 -0.537 -1.044 -11.580 466 HB3 ASP 61 3HB ASP 61 -0.732 -1.501 -9.891 467 H THR 62 H THR 62 0.298 -0.493 -7.873 468 HA THR 62 HA THR 62 -1.755 0.808 -6.437 469 HB THR 62 HB THR 62 0.688 -0.676 -5.362 470 HG1 THR 62 HG1 THR 62 -0.310 -2.316 -6.246 471 HG21 THR 62 3HG2 THR 62 -0.482 0.619 -3.595 472 HG22 THR 62 1HG2 THR 62 -0.689 -1.119 -3.367 473 HG23 THR 62 2HG2 THR 62 -2.003 -0.154 -4.038 474 H TYR 63 H TYR 63 1.666 1.579 -6.862 475 HA TYR 63 HA TYR 63 1.810 3.655 -4.893 476 HB2 TYR 63 2HB TYR 63 3.568 3.146 -7.329 477 HB3 TYR 63 3HB TYR 63 3.915 4.340 -6.077 478 HD1 TYR 63 HD2 TYR 63 3.283 2.816 -3.586 479 HD2 TYR 63 HD1 TYR 63 5.314 1.567 -7.133 480 HE1 TYR 63 HE2 TYR 63 4.503 1.119 -2.303 481 HE2 TYR 63 HE1 TYR 63 6.527 -0.120 -5.842 482 HH TYR 63 HH TYR 63 7.171 -0.579 -3.613 483 H ALA 64 H ALA 64 1.241 3.588 -8.418 484 HA ALA 64 HA ALA 64 0.958 6.353 -8.881 485 HB1 ALA 64 3HB ALA 64 -0.197 5.686 -10.967 486 HB2 ALA 64 1HB ALA 64 -0.323 4.032 -10.362 487 HB3 ALA 64 2HB ALA 64 1.261 4.728 -10.701 488 H GLN 65 H GLN 65 -1.385 3.882 -7.934 489 HA GLN 65 HA GLN 65 -3.749 5.410 -7.828 490 HB2 GLN 65 2HB GLN 65 -2.830 2.921 -6.341 491 HB3 GLN 65 3HB GLN 65 -4.395 3.647 -6.006 492 HG2 GLN 65 2HG GLN 65 -3.696 2.908 -8.834 493 HG3 GLN 65 3HG GLN 65 -4.180 1.649 -7.706 494 HE21 GLN 65 1HE2 GLN 65 -5.542 4.939 -7.678 495 HE22 GLN 65 2HE2 GLN 65 -7.121 4.463 -8.148 496 H GLY 66 H GLY 66 -1.269 4.707 -5.442 497 HA2 GLY 66 2HA GLY 66 -2.144 6.168 -3.253 498 HA3 GLY 66 3HA GLY 66 -0.477 5.778 -3.621 499 H ILE 67 H ILE 67 -0.128 7.220 -5.982 500 HA ILE 67 HA ILE 67 0.720 9.697 -5.038 501 HB ILE 67 HB ILE 67 0.301 8.622 -7.851 502 HG12 ILE 67 2HG1 ILE 67 2.870 9.256 -6.314 503 HG13 ILE 67 3HG1 ILE 67 2.139 7.662 -6.431 504 HG21 ILE 67 1HG2 ILE 67 1.550 10.538 -8.797 505 HG22 ILE 67 2HG2 ILE 67 1.516 11.333 -7.227 506 HG23 ILE 67 3HG2 ILE 67 0.014 11.040 -8.097 507 HD11 ILE 67 3HD1 ILE 67 3.243 9.261 -8.733 508 HD12 ILE 67 1HD1 ILE 67 2.523 7.654 -8.842 509 HD13 ILE 67 2HD1 ILE 67 4.016 7.894 -7.939 510 H GLU 68 H GLU 68 -2.211 8.879 -6.863 511 HA GLU 68 HA GLU 68 -3.218 11.448 -7.392 512 HB2 GLU 68 2HB GLU 68 -4.842 8.926 -6.823 513 HB3 GLU 68 3HB GLU 68 -5.373 10.331 -7.748 514 HG2 GLU 68 2HG GLU 68 -3.803 9.820 -9.529 515 HG3 GLU 68 3HG GLU 68 -3.077 8.532 -8.571 516 H VAL 69 H VAL 69 -3.746 9.258 -4.681 517 HA VAL 69 HA VAL 69 -5.489 11.144 -3.287 518 HB VAL 69 HB VAL 69 -5.778 9.372 -1.589 519 HG11 VAL 69 1HG1 VAL 69 -7.070 7.829 -3.001 520 HG12 VAL 69 2HG1 VAL 69 -6.223 8.393 -4.443 521 HG13 VAL 69 3HG1 VAL 69 -7.278 9.496 -3.550 522 HG21 VAL 69 3HG2 VAL 69 -3.567 8.270 -1.748 523 HG22 VAL 69 1HG2 VAL 69 -3.975 7.660 -3.351 524 HG23 VAL 69 2HG2 VAL 69 -4.879 7.105 -1.935 525 H ALA 70 H ALA 70 -2.096 10.442 -3.303 526 HA ALA 70 HA ALA 70 -1.531 10.976 -0.542 527 HB1 ALA 70 3HB ALA 70 0.820 10.946 -1.244 528 HB2 ALA 70 1HB ALA 70 0.323 10.957 -2.941 529 HB3 ALA 70 2HB ALA 70 -0.061 9.576 -1.916 530 H ARG 71 H ARG 71 -1.200 12.791 -3.554 531 HA ARG 71 HA ARG 71 -0.243 15.226 -2.499 532 HB2 ARG 71 2HB ARG 71 -1.049 16.194 -4.692 533 HB3 ARG 71 3HB ARG 71 -0.071 14.740 -4.888 534 HG2 ARG 71 2HG ARG 71 -2.079 13.394 -5.213 535 HG3 ARG 71 3HG ARG 71 -3.093 14.794 -4.914 536 HD2 ARG 71 2HD ARG 71 -2.121 15.846 -6.991 537 HD3 ARG 71 3HD ARG 71 -1.308 14.302 -7.316 538 HE ARG 71 HE ARG 71 -4.082 13.911 -6.803 539 HH11 ARG 71 1HH1 ARG 71 -1.980 15.028 -9.386 540 HH12 ARG 71 2HH1 ARG 71 -3.097 14.578 -10.627 541 HH21 ARG 71 1HH2 ARG 71 -5.538 13.412 -8.414 542 HH22 ARG 71 2HH2 ARG 71 -5.118 13.664 -10.081 543 H GLU 72 H GLU 72 -3.599 14.071 -3.058 544 HA GLU 72 HA GLU 72 -4.715 16.679 -2.325 545 HB2 GLU 72 2HB GLU 72 -6.027 14.159 -3.413 546 HB3 GLU 72 3HB GLU 72 -6.886 15.664 -3.079 547 HG2 GLU 72 2HG GLU 72 -5.566 16.846 -4.755 548 HG3 GLU 72 3HG GLU 72 -4.577 15.417 -5.031 549 H GLU 73 H GLU 73 -5.191 13.281 -1.281 550 HA GLU 73 HA GLU 73 -6.782 14.069 1.012 551 HB2 GLU 73 2HB GLU 73 -5.827 11.324 0.105 552 HB3 GLU 73 3HB GLU 73 -6.936 11.600 1.445 553 HG2 GLU 73 2HG GLU 73 -7.467 12.342 -1.449 554 HG3 GLU 73 3HG GLU 73 -8.081 10.898 -0.642 555 H GLY 74 H GLY 74 -3.543 12.621 0.496 556 HA2 GLY 74 2HA GLY 74 -2.944 12.625 3.371 557 HA3 GLY 74 3HA GLY 74 -1.939 11.992 2.069 558 H THR 75 H THR 75 -0.212 13.140 3.272 559 HA THR 75 HA THR 75 -0.052 16.029 2.604 560 HB THR 75 HB THR 75 1.854 16.116 4.211 561 HG1 THR 75 HG1 THR 75 1.265 13.361 4.508 562 HG21 THR 75 3HG2 THR 75 -0.416 16.612 5.080 563 HG22 THR 75 1HG2 THR 75 0.590 15.834 6.306 564 HG23 THR 75 2HG2 THR 75 -0.643 14.902 5.456 565 H GLN 76 H GLN 76 2.463 16.610 2.302 566 HA GLN 76 HA GLN 76 3.205 15.680 -0.259 567 HB2 GLN 76 2HB GLN 76 3.742 17.943 0.717 568 HB3 GLN 76 3HB GLN 76 4.940 17.174 1.750 569 HG2 GLN 76 2HG GLN 76 6.128 18.145 -0.059 570 HG3 GLN 76 3HG GLN 76 6.132 16.410 -0.357 571 HE21 GLN 76 1HE2 GLN 76 6.522 18.636 -2.235 572 HE22 GLN 76 2HE2 GLN 76 5.325 18.437 -3.465 573 H LYS 77 H LYS 77 4.150 14.681 2.951 574 HA LYS 77 HA LYS 77 6.482 13.225 2.531 575 HB2 LYS 77 2HB LYS 77 5.523 13.690 4.778 576 HB3 LYS 77 3HB LYS 77 4.196 12.580 4.447 577 HG2 LYS 77 2HG LYS 77 5.869 10.721 4.235 578 HG3 LYS 77 3HG LYS 77 7.137 11.853 4.710 579 HD2 LYS 77 2HD LYS 77 6.011 12.174 6.897 580 HD3 LYS 77 3HD LYS 77 4.744 11.045 6.405 581 HE2 LYS 77 2HE LYS 77 6.428 9.239 6.225 582 HE3 LYS 77 3HE LYS 77 7.691 10.365 6.727 583 HZ1 LYS 77 3HZ LYS 77 5.347 9.562 8.354 584 HZ2 LYS 77 1HZ LYS 77 6.575 10.618 8.841 585 HZ3 LYS 77 2HZ LYS 77 6.925 8.988 8.548 586 H ASP 78 H ASP 78 3.105 12.194 2.297 587 HA ASP 78 HA ASP 78 3.472 9.444 1.727 588 HB2 ASP 78 2HB ASP 78 1.140 11.257 0.921 589 HB3 ASP 78 3HB ASP 78 1.104 9.497 0.976 590 H LEU 79 H LEU 79 2.921 12.272 -0.325 591 HA LEU 79 HA LEU 79 2.722 11.047 -2.826 592 HB2 LEU 79 2HB LEU 79 2.065 13.403 -2.370 593 HB3 LEU 79 3HB LEU 79 3.754 13.831 -2.145 594 HG LEU 79 HG LEU 79 4.189 13.241 -4.554 595 HD11 LEU 79 1HD1 LEU 79 2.303 12.963 -6.102 596 HD12 LEU 79 2HD1 LEU 79 1.180 12.931 -4.742 597 HD13 LEU 79 3HD1 LEU 79 2.379 11.650 -4.927 598 HD21 LEU 79 3HD2 LEU 79 3.801 15.580 -3.907 599 HD22 LEU 79 1HD2 LEU 79 2.063 15.371 -4.149 600 HD23 LEU 79 2HD2 LEU 79 3.171 15.250 -5.518 601 H SER 80 H SER 80 5.536 12.466 -1.206 602 HA SER 80 HA SER 80 7.458 12.125 -3.195 603 HB2 SER 80 2HB SER 80 7.864 12.143 -0.165 604 HB3 SER 80 3HB SER 80 9.116 12.445 -1.372 605 HG SER 80 HG SER 80 7.265 14.137 -0.341 606 H GLU 81 H GLU 81 6.464 9.947 -0.561 607 HA GLU 81 HA GLU 81 8.556 8.024 -0.955 608 HB2 GLU 81 2HB GLU 81 5.985 7.876 0.669 609 HB3 GLU 81 3HB GLU 81 7.226 6.624 0.676 610 HG2 GLU 81 2HG GLU 81 8.865 8.357 1.483 611 HG3 GLU 81 3HG GLU 81 7.524 9.486 1.629 612 H LEU 82 H LEU 82 5.220 8.267 -2.076 613 HA LEU 82 HA LEU 82 5.075 5.581 -3.111 614 HB2 LEU 82 2HB LEU 82 3.366 8.054 -3.478 615 HB3 LEU 82 3HB LEU 82 2.994 6.535 -4.287 616 HG LEU 82 HG LEU 82 3.342 6.610 -1.268 617 HD11 LEU 82 1HD1 LEU 82 0.926 6.879 -0.987 618 HD12 LEU 82 2HD1 LEU 82 0.760 7.174 -2.716 619 HD13 LEU 82 3HD1 LEU 82 1.667 8.302 -1.715 620 HD21 LEU 82 3HD2 LEU 82 1.768 4.756 -3.086 621 HD22 LEU 82 1HD2 LEU 82 1.920 4.621 -1.331 622 HD23 LEU 82 2HD2 LEU 82 3.339 4.409 -2.354 623 H GLN 83 H GLN 83 5.783 8.753 -4.510 624 HA GLN 83 HA GLN 83 6.257 7.941 -7.190 625 HB2 GLN 83 2HB GLN 83 7.324 10.272 -5.542 626 HB3 GLN 83 3HB GLN 83 7.668 10.085 -7.258 627 HG2 GLN 83 2HG GLN 83 5.322 10.330 -7.818 628 HG3 GLN 83 3HG GLN 83 4.866 10.294 -6.119 629 HE21 GLN 83 1HE2 GLN 83 6.914 12.054 -5.169 630 HE22 GLN 83 2HE2 GLN 83 6.549 13.638 -5.749 631 H ASP 84 H ASP 84 8.275 8.160 -4.314 632 HA ASP 84 HA ASP 84 10.799 7.609 -5.462 633 HB2 ASP 84 2HB ASP 84 10.537 8.699 -3.272 634 HB3 ASP 84 3HB ASP 84 9.782 7.256 -2.612 635 H ALA 85 H ALA 85 8.326 5.542 -4.005 636 HA ALA 85 HA ALA 85 9.887 3.164 -3.873 637 HB1 ALA 85 3HB ALA 85 6.874 3.502 -3.708 638 HB2 ALA 85 1HB ALA 85 7.996 3.584 -2.347 639 HB3 ALA 85 2HB ALA 85 7.784 2.068 -3.227 640 H LYS 86 H LYS 86 7.444 4.404 -6.184 641 HA LYS 86 HA LYS 86 7.499 2.083 -7.838 642 HB2 LYS 86 2HB LYS 86 6.257 3.304 -9.509 643 HB3 LYS 86 3HB LYS 86 5.584 3.625 -7.921 644 HG2 LYS 86 2HG LYS 86 6.489 5.840 -7.876 645 HG3 LYS 86 3HG LYS 86 7.480 5.540 -9.306 646 HD2 LYS 86 2HD LYS 86 4.432 5.621 -9.250 647 HD3 LYS 86 3HD LYS 86 5.481 6.919 -9.827 648 HE2 LYS 86 2HE LYS 86 6.371 5.363 -11.573 649 HE3 LYS 86 3HE LYS 86 5.220 4.139 -11.036 650 HZ1 LYS 86 3HZ LYS 86 4.559 6.799 -12.184 651 HZ2 LYS 86 1HZ LYS 86 3.425 5.685 -11.602 652 HZ3 LYS 86 2HZ LYS 86 4.379 5.298 -12.943 653 H LEU 87 H LEU 87 9.436 5.104 -7.907 654 HA LEU 87 HA LEU 87 10.462 4.613 -10.533 655 HB2 LEU 87 2HB LEU 87 11.952 6.494 -10.229 656 HB3 LEU 87 3HB LEU 87 10.345 6.887 -9.674 657 HG LEU 87 HG LEU 87 11.332 6.394 -7.272 658 HD11 LEU 87 1HD1 LEU 87 13.694 6.986 -6.983 659 HD12 LEU 87 2HD1 LEU 87 13.911 7.014 -8.736 660 HD13 LEU 87 3HD1 LEU 87 13.508 5.503 -7.917 661 HD21 LEU 87 3HD2 LEU 87 11.964 8.752 -7.027 662 HD22 LEU 87 1HD2 LEU 87 10.509 8.582 -8.007 663 HD23 LEU 87 2HD2 LEU 87 12.059 8.926 -8.779 664 H LYS 88 H LYS 88 11.656 3.804 -7.281 665 HA LYS 88 HA LYS 88 14.074 2.602 -8.287 666 HB2 LYS 88 2HB LYS 88 14.431 1.767 -6.023 667 HB3 LYS 88 3HB LYS 88 13.971 3.457 -6.001 668 HG2 LYS 88 2HG LYS 88 12.732 2.700 -4.229 669 HG3 LYS 88 3HG LYS 88 11.551 2.483 -5.521 670 HD2 LYS 88 2HD LYS 88 12.161 0.087 -5.665 671 HD3 LYS 88 3HD LYS 88 13.357 0.310 -4.387 672 HE2 LYS 88 2HE LYS 88 11.499 0.998 -2.844 673 HE3 LYS 88 3HE LYS 88 10.345 0.619 -4.124 674 HZ1 LYS 88 3HZ LYS 88 11.208 -1.660 -4.111 675 HZ2 LYS 88 1HZ LYS 88 10.512 -1.218 -2.646 676 HZ3 LYS 88 2HZ LYS 88 12.196 -1.276 -2.793 677 H ALA 89 H ALA 89 10.778 1.436 -7.692 678 HA ALA 89 HA ALA 89 11.282 -1.300 -8.160 679 HB1 ALA 89 3HB ALA 89 8.726 0.277 -8.520 680 HB2 ALA 89 1HB ALA 89 9.258 -0.517 -7.038 681 HB3 ALA 89 2HB ALA 89 8.838 -1.483 -8.456 682 H GLU 90 H GLU 90 10.731 1.396 -10.389 683 HA GLU 90 HA GLU 90 10.598 -0.004 -12.839 684 HB2 GLU 90 2HB GLU 90 11.997 2.651 -12.281 685 HB3 GLU 90 3HB GLU 90 11.539 2.053 -13.870 686 HG2 GLU 90 2HG GLU 90 9.588 2.736 -11.660 687 HG3 GLU 90 3HG GLU 90 10.045 3.833 -12.955 688 H GLY 91 H GLY 91 13.302 0.996 -10.780 689 HA2 GLY 91 2HA GLY 91 15.465 0.170 -12.401 690 HA3 GLY 91 3HA GLY 91 15.509 0.496 -10.680 691 H LEU 92 H LEU 92 13.414 -1.603 -10.125 692 HA LEU 92 HA LEU 92 15.042 -3.888 -9.717 693 HB2 LEU 92 2HB LEU 92 11.997 -3.773 -9.868 694 HB3 LEU 92 3HB LEU 92 12.929 -5.118 -9.228 695 HG LEU 92 HG LEU 92 12.704 -2.338 -8.020 696 HD11 LEU 92 1HD1 LEU 92 11.671 -5.010 -7.026 697 HD12 LEU 92 2HD1 LEU 92 10.702 -3.701 -7.705 698 HD13 LEU 92 3HD1 LEU 92 11.543 -3.465 -6.179 699 HD21 LEU 92 3HD2 LEU 92 14.965 -3.168 -7.632 700 HD22 LEU 92 1HD2 LEU 92 14.332 -4.691 -6.999 701 HD23 LEU 92 2HD2 LEU 92 14.044 -3.179 -6.133 702 H GLU 93 H GLU 93 12.521 -3.192 -12.147 703 HA GLU 93 HA GLU 93 13.221 -5.594 -13.688 704 HB2 GLU 93 2HB GLU 93 10.873 -3.672 -13.988 705 HB3 GLU 93 3HB GLU 93 11.108 -5.149 -14.925 706 HG2 GLU 93 2HG GLU 93 11.032 -6.440 -12.757 707 HG3 GLU 93 3HG GLU 93 10.597 -4.945 -11.937 708 H HIS 94 H HIS 94 14.783 -2.928 -13.574 709 HA HIS 94 HA HIS 94 14.649 -1.791 -16.199 710 HB2 HIS 94 2HB HIS 94 15.480 -0.534 -14.250 711 HB3 HIS 94 3HB HIS 94 16.868 -1.607 -14.125 712 HD1 HIS 94 HD1 HIS 94 18.836 -0.263 -14.846 713 HD2 HIS 94 HD2 HIS 94 15.546 0.418 -17.303 714 HE1 HIS 94 HE1 HIS 94 19.628 1.361 -16.595 715 HE2 HIS 94 HE2 HIS 94 17.608 1.797 -18.032 716 H HIS 95 H HIS 95 15.031 -3.068 -17.864 717 HA HIS 95 HA HIS 95 15.993 -4.360 -19.417 718 HB2 HIS 95 2HB HIS 95 18.136 -3.127 -18.774 719 HB3 HIS 95 3HB HIS 95 18.532 -4.498 -17.748 720 HD1 HIS 95 HD1 HIS 95 17.838 -3.749 -21.416 721 HD2 HIS 95 HD2 HIS 95 19.871 -6.524 -19.086 722 HE1 HIS 95 HE1 HIS 95 19.120 -5.177 -23.030 723 HE2 HIS 95 HE2 HIS 95 20.205 -6.934 -21.606 724 H HIS 96 H HIS 96 15.093 -5.343 -16.478 725 HA HIS 96 HA HIS 96 15.690 -8.195 -16.811 726 HB2 HIS 96 2HB HIS 96 14.155 -6.718 -14.632 727 HB3 HIS 96 3HB HIS 96 14.410 -8.457 -14.661 728 HD1 HIS 96 HD1 HIS 96 16.470 -9.282 -13.514 729 HD2 HIS 96 HD2 HIS 96 16.676 -5.226 -14.359 730 HE1 HIS 96 HE1 HIS 96 18.566 -8.469 -12.409 731 HE2 HIS 96 HE2 HIS 96 18.787 -6.081 -13.144 732 H HIS 97 H HIS 97 14.470 -9.244 -18.217 733 HA HIS 97 HA HIS 97 12.822 -9.882 -19.625 734 HB2 HIS 97 2HB HIS 97 10.948 -8.596 -17.590 735 HB3 HIS 97 3HB HIS 97 10.397 -9.510 -18.988 736 HD1 HIS 97 HD1 HIS 97 9.649 -11.738 -18.268 737 HD2 HIS 97 HD2 HIS 97 12.959 -10.503 -16.082 738 HE1 HIS 97 HE1 HIS 97 10.162 -13.629 -16.707 739 HE2 HIS 97 HE2 HIS 97 12.251 -12.919 -15.502 740 H HIS 98 H HIS 98 14.194 -7.291 -19.782 741 HA HIS 98 HA HIS 98 12.572 -6.052 -21.908 742 HB2 HIS 98 2HB HIS 98 13.983 -4.504 -19.678 743 HB3 HIS 98 3HB HIS 98 13.381 -3.764 -21.159 744 HD1 HIS 98 HD1 HIS 98 10.810 -3.470 -21.380 745 HD2 HIS 98 HD2 HIS 98 12.013 -5.103 -17.757 746 HE1 HIS 98 HE1 HIS 98 8.812 -3.309 -19.870 747 HE2 HIS 98 HE2 HIS 98 9.525 -4.424 -17.728 748 H HIS 99 H HIS 99 13.785 -5.409 -23.658 749 HA HIS 99 HA HIS 99 16.661 -6.099 -23.631 750 HB2 HIS 99 2HB HIS 99 16.380 -6.253 -26.177 751 HB3 HIS 99 3HB HIS 99 15.534 -7.473 -25.238 752 HD1 HIS 99 HD1 HIS 99 14.832 -4.304 -27.199 753 HD2 HIS 99 HD2 HIS 99 12.837 -7.628 -25.725 754 HE1 HIS 99 HE1 HIS 99 12.508 -4.172 -28.151 755 HE2 HIS 99 HE2 HIS 99 11.395 -6.299 -27.387 Start of MODEL 14 1 H1 GLU 1 1H GLU 1 -12.952 0.765 18.823 2 H2 GLU 1 2H GLU 1 -12.419 -0.824 19.037 3 H3 GLU 1 3H GLU 1 -14.032 -0.522 18.643 4 HA GLU 1 HA GLU 1 -13.444 0.310 16.514 5 HB2 GLU 1 2HB GLU 1 -11.169 0.364 15.678 6 HB3 GLU 1 3HB GLU 1 -11.199 1.243 17.200 7 HG2 GLU 1 2HG GLU 1 -10.186 -1.603 16.844 8 HG3 GLU 1 3HG GLU 1 -9.169 -0.169 16.899 9 H ASP 2 H ASP 2 -13.310 -1.123 14.726 10 HA ASP 2 HA ASP 2 -13.103 -4.018 15.339 11 HB2 ASP 2 2HB ASP 2 -15.084 -2.670 13.432 12 HB3 ASP 2 3HB ASP 2 -14.950 -4.402 13.717 13 HA PRO 3 HA PRO 3 -10.314 -4.323 11.723 14 HB2 PRO 3 2HB PRO 3 -12.002 -6.731 11.019 15 HB3 PRO 3 3HB PRO 3 -10.241 -6.583 11.108 16 HG2 PRO 3 2HG PRO 3 -11.558 -7.807 13.062 17 HG3 PRO 3 3HG PRO 3 -10.223 -6.700 13.462 18 HD2 PRO 3 2HD PRO 3 -13.196 -6.225 13.615 19 HD3 PRO 3 3HD PRO 3 -11.920 -5.731 14.750 20 H GLU 4 H GLU 4 -13.745 -3.993 11.446 21 HA GLU 4 HA GLU 4 -14.051 -3.573 8.672 22 HB2 GLU 4 2HB GLU 4 -15.535 -2.308 11.013 23 HB3 GLU 4 3HB GLU 4 -16.096 -2.316 9.340 24 HG2 GLU 4 2HG GLU 4 -16.326 -4.742 9.377 25 HG3 GLU 4 3HG GLU 4 -15.631 -4.815 10.997 26 H ASP 5 H ASP 5 -13.089 -1.430 11.315 27 HA ASP 5 HA ASP 5 -13.047 1.032 9.931 28 HB2 ASP 5 2HB ASP 5 -11.459 0.217 12.399 29 HB3 ASP 5 3HB ASP 5 -11.602 1.869 11.802 30 HA PRO 6 HA PRO 6 -9.613 0.759 7.110 31 HB2 PRO 6 2HB PRO 6 -9.006 3.555 8.072 32 HB3 PRO 6 3HB PRO 6 -9.145 2.945 6.418 33 HG2 PRO 6 2HG PRO 6 -11.122 4.356 7.618 34 HG3 PRO 6 3HG PRO 6 -11.451 3.085 6.426 35 HD2 PRO 6 2HD PRO 6 -11.888 3.066 9.357 36 HD3 PRO 6 3HD PRO 6 -12.655 2.080 8.096 37 H PHE 7 H PHE 7 -8.680 2.619 10.042 38 HA PHE 7 HA PHE 7 -5.938 1.999 9.894 39 HB2 PHE 7 2HB PHE 7 -6.665 3.966 11.115 40 HB3 PHE 7 3HB PHE 7 -7.598 2.987 12.243 41 HD1 PHE 7 HD1 PHE 7 -4.049 3.343 11.005 42 HD2 PHE 7 HD2 PHE 7 -6.605 2.500 14.337 43 HE1 PHE 7 HE1 PHE 7 -2.085 3.166 12.475 44 HE2 PHE 7 HE2 PHE 7 -4.633 2.326 15.795 45 HZ PHE 7 HZ PHE 7 -2.373 2.654 14.866 46 H THR 8 H THR 8 -8.590 0.361 11.647 47 HA THR 8 HA THR 8 -6.950 -1.145 13.388 48 HB THR 8 HB THR 8 -9.741 -1.918 12.447 49 HG1 THR 8 HG1 THR 8 -10.501 -0.421 13.778 50 HG21 THR 8 3HG2 THR 8 -8.270 -2.513 15.057 51 HG22 THR 8 1HG2 THR 8 -8.585 -3.684 13.773 52 HG23 THR 8 2HG2 THR 8 -9.927 -2.986 14.679 53 H ARG 9 H ARG 9 -8.479 -2.048 10.258 54 HA ARG 9 HA ARG 9 -7.345 -4.685 10.146 55 HB2 ARG 9 2HB ARG 9 -8.258 -4.826 7.916 56 HB3 ARG 9 3HB ARG 9 -9.428 -4.004 8.930 57 HG2 ARG 9 2HG ARG 9 -7.941 -1.900 7.841 58 HG3 ARG 9 3HG ARG 9 -8.038 -3.056 6.519 59 HD2 ARG 9 2HD ARG 9 -10.431 -1.978 8.040 60 HD3 ARG 9 3HD ARG 9 -9.833 -1.322 6.516 61 HE ARG 9 HE ARG 9 -10.624 -4.146 6.618 62 HH11 ARG 9 1HH1 ARG 9 -11.273 -0.885 5.439 63 HH12 ARG 9 2HH1 ARG 9 -12.561 -1.399 4.401 64 HH21 ARG 9 1HH2 ARG 9 -12.332 -4.770 5.252 65 HH22 ARG 9 2HH2 ARG 9 -13.173 -3.572 4.319 66 H TYR 10 H TYR 10 -6.286 -1.519 9.180 67 HA TYR 10 HA TYR 10 -4.156 -2.199 7.419 68 HB2 TYR 10 2HB TYR 10 -5.125 0.023 7.417 69 HB3 TYR 10 3HB TYR 10 -4.756 0.250 9.119 70 HD1 TYR 10 HD2 TYR 10 -2.939 -0.464 5.895 71 HD2 TYR 10 HD1 TYR 10 -2.928 1.623 9.622 72 HE1 TYR 10 HE2 TYR 10 -0.851 0.662 5.266 73 HE2 TYR 10 HE1 TYR 10 -0.846 2.747 8.988 74 HH TYR 10 HH TYR 10 0.349 2.784 5.850 75 H ALA 11 H ALA 11 -4.294 -1.451 10.867 76 HA ALA 11 HA ALA 11 -1.518 -1.756 11.444 77 HB1 ALA 11 3HB ALA 11 -3.927 -1.787 13.308 78 HB2 ALA 11 1HB ALA 11 -2.997 -0.360 12.841 79 HB3 ALA 11 2HB ALA 11 -2.242 -1.627 13.808 80 H LEU 12 H LEU 12 -4.374 -3.804 11.583 81 HA LEU 12 HA LEU 12 -3.219 -6.103 12.781 82 HB2 LEU 12 2HB LEU 12 -5.636 -5.700 12.757 83 HB3 LEU 12 3HB LEU 12 -5.668 -5.786 11.007 84 HG LEU 12 HG LEU 12 -5.228 -8.184 11.044 85 HD11 LEU 12 1HD1 LEU 12 -3.671 -8.351 12.912 86 HD12 LEU 12 2HD1 LEU 12 -5.012 -9.468 13.147 87 HD13 LEU 12 3HD1 LEU 12 -4.954 -7.960 14.062 88 HD21 LEU 12 3HD2 LEU 12 -7.387 -7.480 13.068 89 HD22 LEU 12 1HD2 LEU 12 -7.265 -8.991 12.161 90 HD23 LEU 12 2HD2 LEU 12 -7.577 -7.479 11.311 91 H ALA 13 H ALA 13 -3.513 -4.979 9.445 92 HA ALA 13 HA ALA 13 -2.627 -7.301 8.102 93 HB1 ALA 13 3HB ALA 13 -2.211 -5.823 6.182 94 HB2 ALA 13 1HB ALA 13 -2.373 -4.405 7.224 95 HB3 ALA 13 2HB ALA 13 -3.763 -5.454 6.937 96 H GLN 14 H GLN 14 -0.906 -4.478 9.410 97 HA GLN 14 HA GLN 14 1.729 -5.229 8.699 98 HB2 GLN 14 2HB GLN 14 0.768 -3.560 11.056 99 HB3 GLN 14 3HB GLN 14 2.434 -3.638 10.483 100 HG2 GLN 14 2HG GLN 14 1.764 -2.636 8.339 101 HG3 GLN 14 3HG GLN 14 0.080 -2.607 8.868 102 HE21 GLN 14 1HE2 GLN 14 -0.070 -0.379 8.671 103 HE22 GLN 14 2HE2 GLN 14 0.720 0.719 9.746 104 H GLU 15 H GLU 15 -0.296 -6.061 11.489 105 HA GLU 15 HA GLU 15 1.637 -7.512 12.972 106 HB2 GLU 15 2HB GLU 15 -1.395 -7.761 12.921 107 HB3 GLU 15 3HB GLU 15 -0.360 -8.607 14.072 108 HG2 GLU 15 2HG GLU 15 0.447 -6.424 14.931 109 HG3 GLU 15 3HG GLU 15 -0.622 -5.599 13.798 110 H HIS 16 H HIS 16 -0.675 -8.525 10.449 111 HA HIS 16 HA HIS 16 0.000 -11.249 10.366 112 HB2 HIS 16 2HB HIS 16 -1.033 -9.468 8.128 113 HB3 HIS 16 3HB HIS 16 -0.834 -11.210 7.964 114 HD1 HIS 16 HD1 HIS 16 -2.252 -12.605 9.948 115 HD2 HIS 16 HD2 HIS 16 -3.537 -8.797 8.913 116 HE1 HIS 16 HE1 HIS 16 -4.622 -12.444 10.750 117 HE2 HIS 16 HE2 HIS 16 -5.365 -10.126 10.139 118 H LEU 17 H LEU 17 1.493 -8.464 8.652 119 HA LEU 17 HA LEU 17 3.282 -9.848 7.013 120 HB2 LEU 17 2HB LEU 17 3.574 -7.121 8.329 121 HB3 LEU 17 3HB LEU 17 4.662 -7.722 7.086 122 HG LEU 17 HG LEU 17 1.682 -7.295 6.642 123 HD11 LEU 17 1HD1 LEU 17 2.737 -5.132 7.117 124 HD12 LEU 17 2HD1 LEU 17 2.276 -5.246 5.421 125 HD13 LEU 17 3HD1 LEU 17 3.967 -5.441 5.888 126 HD21 LEU 17 3HD2 LEU 17 3.941 -7.798 4.668 127 HD22 LEU 17 1HD2 LEU 17 2.255 -7.474 4.254 128 HD23 LEU 17 2HD2 LEU 17 2.677 -8.945 5.122 129 H LYS 18 H LYS 18 3.776 -8.638 10.363 130 HA LYS 18 HA LYS 18 6.462 -9.675 10.554 131 HB2 LYS 18 2HB LYS 18 6.338 -9.014 12.961 132 HB3 LYS 18 3HB LYS 18 5.948 -7.708 11.851 133 HG2 LYS 18 2HG LYS 18 3.597 -7.893 12.330 134 HG3 LYS 18 3HG LYS 18 3.846 -9.365 13.270 135 HD2 LYS 18 2HD LYS 18 4.970 -6.633 14.025 136 HD3 LYS 18 3HD LYS 18 3.468 -7.305 14.666 137 HE2 LYS 18 2HE LYS 18 4.751 -9.226 15.592 138 HE3 LYS 18 3HE LYS 18 6.245 -8.495 15.006 139 HZ1 LYS 18 3HZ LYS 18 4.397 -7.292 16.995 140 HZ2 LYS 18 1HZ LYS 18 5.855 -6.619 16.463 141 HZ3 LYS 18 2HZ LYS 18 5.862 -8.057 17.351 142 H HIS 19 H HIS 19 3.295 -11.025 11.170 143 HA HIS 19 HA HIS 19 4.347 -13.440 12.433 144 HB2 HIS 19 2HB HIS 19 1.579 -12.666 11.430 145 HB3 HIS 19 3HB HIS 19 1.940 -14.282 12.029 146 HD1 HIS 19 HD1 HIS 19 0.282 -14.038 13.963 147 HD2 HIS 19 HD2 HIS 19 3.292 -11.173 14.028 148 HE1 HIS 19 HE1 HIS 19 0.101 -12.921 16.198 149 HE2 HIS 19 HE2 HIS 19 1.844 -11.109 16.165 150 H ASP 20 H ASP 20 4.695 -12.301 9.428 151 HA ASP 20 HA ASP 20 5.358 -13.094 7.439 152 HB2 ASP 20 2HB ASP 20 6.620 -14.765 8.898 153 HB3 ASP 20 3HB ASP 20 5.319 -15.909 8.599 154 H ASN 21 H ASN 21 2.400 -13.475 8.570 155 HA ASN 21 HA ASN 21 1.137 -15.055 6.491 156 HB2 ASN 21 2HB ASN 21 -0.017 -13.245 8.666 157 HB3 ASN 21 3HB ASN 21 -0.990 -14.228 7.575 158 HD21 ASN 21 1HD2 ASN 21 0.654 -16.575 7.600 159 HD22 ASN 21 2HD2 ASN 21 0.505 -17.276 9.164 160 H ALA 22 H ALA 22 2.434 -13.667 4.944 161 HA ALA 22 HA ALA 22 1.892 -10.965 4.401 162 HB1 ALA 22 3HB ALA 22 3.930 -12.086 3.638 163 HB2 ALA 22 1HB ALA 22 3.071 -11.382 2.268 164 HB3 ALA 22 2HB ALA 22 2.987 -13.119 2.562 165 H SER 23 H SER 23 0.487 -13.951 3.035 166 HA SER 23 HA SER 23 -1.144 -12.833 1.060 167 HB2 SER 23 2HB SER 23 -1.715 -15.353 2.673 168 HB3 SER 23 3HB SER 23 -2.400 -14.944 1.099 169 HG SER 23 HG SER 23 0.350 -15.366 1.665 170 H ARG 24 H ARG 24 -1.831 -13.353 4.543 171 HA ARG 24 HA ARG 24 -4.572 -12.603 4.461 172 HB2 ARG 24 2HB ARG 24 -2.543 -12.771 6.735 173 HB3 ARG 24 3HB ARG 24 -4.258 -12.484 6.986 174 HG2 ARG 24 2HG ARG 24 -3.062 -14.966 5.715 175 HG3 ARG 24 3HG ARG 24 -3.661 -14.839 7.374 176 HD2 ARG 24 2HD ARG 24 -5.925 -14.429 6.571 177 HD3 ARG 24 3HD ARG 24 -5.367 -14.398 4.894 178 HE ARG 24 HE ARG 24 -4.621 -16.860 5.918 179 HH11 ARG 24 1HH1 ARG 24 -7.664 -15.185 5.330 180 HH12 ARG 24 2HH1 ARG 24 -8.554 -16.651 5.085 181 HH21 ARG 24 1HH2 ARG 24 -5.817 -18.769 5.582 182 HH22 ARG 24 2HH2 ARG 24 -7.515 -18.676 5.241 183 H ALA 25 H ALA 25 -1.569 -10.904 5.193 184 HA ALA 25 HA ALA 25 -2.610 -8.365 5.884 185 HB1 ALA 25 3HB ALA 25 -0.300 -9.051 6.354 186 HB2 ALA 25 1HB ALA 25 -0.325 -7.562 5.409 187 HB3 ALA 25 2HB ALA 25 0.055 -9.100 4.627 188 H LEU 26 H LEU 26 -1.768 -9.888 2.845 189 HA LEU 26 HA LEU 26 -1.743 -7.652 1.111 190 HB2 LEU 26 2HB LEU 26 -0.756 -9.931 0.610 191 HB3 LEU 26 3HB LEU 26 -2.385 -10.557 0.427 192 HG LEU 26 HG LEU 26 -2.713 -8.945 -1.498 193 HD11 LEU 26 1HD1 LEU 26 0.274 -8.486 -1.242 194 HD12 LEU 26 2HD1 LEU 26 -0.990 -7.299 -0.913 195 HD13 LEU 26 3HD1 LEU 26 -0.769 -7.913 -2.546 196 HD21 LEU 26 3HD2 LEU 26 -2.177 -11.304 -1.913 197 HD22 LEU 26 1HD2 LEU 26 -0.450 -10.947 -1.819 198 HD23 LEU 26 2HD2 LEU 26 -1.427 -10.270 -3.125 199 H ALA 27 H ALA 27 -4.169 -10.116 1.801 200 HA ALA 27 HA ALA 27 -6.371 -9.264 0.375 201 HB1 ALA 27 3HB ALA 27 -6.235 -11.401 1.610 202 HB2 ALA 27 1HB ALA 27 -7.708 -10.523 2.022 203 HB3 ALA 27 2HB ALA 27 -6.344 -10.536 3.145 204 H LEU 28 H LEU 28 -5.399 -8.256 3.678 205 HA LEU 28 HA LEU 28 -7.625 -6.570 4.156 206 HB2 LEU 28 2HB LEU 28 -4.877 -6.660 5.435 207 HB3 LEU 28 3HB LEU 28 -6.139 -5.565 5.986 208 HG LEU 28 HG LEU 28 -6.288 -8.609 6.013 209 HD11 LEU 28 1HD1 LEU 28 -6.284 -8.398 8.460 210 HD12 LEU 28 2HD1 LEU 28 -6.094 -6.648 8.320 211 HD13 LEU 28 3HD1 LEU 28 -4.812 -7.723 7.760 212 HD21 LEU 28 3HD2 LEU 28 -8.355 -6.577 6.933 213 HD22 LEU 28 1HD2 LEU 28 -8.449 -8.324 7.171 214 HD23 LEU 28 2HD2 LEU 28 -8.499 -7.657 5.545 215 H PHE 29 H PHE 29 -4.422 -5.870 2.772 216 HA PHE 29 HA PHE 29 -4.753 -3.030 2.704 217 HB2 PHE 29 2HB PHE 29 -2.847 -4.853 1.200 218 HB3 PHE 29 3HB PHE 29 -2.801 -3.102 1.086 219 HD1 PHE 29 HD1 PHE 29 -3.056 -2.164 3.837 220 HD2 PHE 29 HD2 PHE 29 -0.912 -5.545 2.319 221 HE1 PHE 29 HE1 PHE 29 -1.483 -2.032 5.728 222 HE2 PHE 29 HE2 PHE 29 0.643 -5.407 4.222 223 HZ PHE 29 HZ PHE 29 0.361 -3.652 5.925 224 H GLU 30 H GLU 30 -5.139 -5.581 0.228 225 HA GLU 30 HA GLU 30 -5.963 -4.011 -1.942 226 HB2 GLU 30 2HB GLU 30 -6.632 -6.877 -1.174 227 HB3 GLU 30 3HB GLU 30 -7.090 -6.180 -2.720 228 HG2 GLU 30 2HG GLU 30 -4.709 -5.799 -3.259 229 HG3 GLU 30 3HG GLU 30 -4.252 -6.491 -1.703 230 H GLU 31 H GLU 31 -7.794 -5.409 0.725 231 HA GLU 31 HA GLU 31 -10.410 -4.679 -0.172 232 HB2 GLU 31 2HB GLU 31 -9.875 -6.562 1.405 233 HB3 GLU 31 3HB GLU 31 -9.432 -5.380 2.628 234 HG2 GLU 31 2HG GLU 31 -11.734 -4.563 2.720 235 HG3 GLU 31 3HG GLU 31 -12.199 -5.656 1.412 236 H LEU 32 H LEU 32 -7.929 -3.193 1.806 237 HA LEU 32 HA LEU 32 -9.355 -0.978 2.824 238 HB2 LEU 32 2HB LEU 32 -6.491 -1.728 2.465 239 HB3 LEU 32 3HB LEU 32 -6.787 -0.008 2.605 240 HG LEU 32 HG LEU 32 -7.791 -1.982 4.678 241 HD11 LEU 32 1HD1 LEU 32 -5.350 -2.209 4.543 242 HD12 LEU 32 2HD1 LEU 32 -5.835 -1.422 6.042 243 HD13 LEU 32 3HD1 LEU 32 -5.162 -0.461 4.722 244 HD21 LEU 32 3HD2 LEU 32 -8.898 0.220 4.627 245 HD22 LEU 32 1HD2 LEU 32 -7.327 1.023 4.767 246 HD23 LEU 32 2HD2 LEU 32 -7.935 0.020 6.087 247 H VAL 33 H VAL 33 -7.522 -1.434 -0.196 248 HA VAL 33 HA VAL 33 -7.631 1.217 -1.129 249 HB VAL 33 HB VAL 33 -7.354 -1.396 -2.689 250 HG11 VAL 33 1HG1 VAL 33 -6.555 -0.040 -4.623 251 HG12 VAL 33 2HG1 VAL 33 -6.997 1.439 -3.764 252 HG13 VAL 33 3HG1 VAL 33 -8.247 0.290 -4.242 253 HG21 VAL 33 3HG2 VAL 33 -5.505 -0.909 -1.152 254 HG22 VAL 33 1HG2 VAL 33 -5.305 0.698 -1.852 255 HG23 VAL 33 2HG2 VAL 33 -4.962 -0.739 -2.820 256 H GLU 34 H GLU 34 -9.772 -1.569 -1.875 257 HA GLU 34 HA GLU 34 -11.467 -0.148 -3.629 258 HB2 GLU 34 2HB GLU 34 -13.065 -2.047 -3.370 259 HB3 GLU 34 3HB GLU 34 -11.427 -2.554 -3.754 260 HG2 GLU 34 2HG GLU 34 -11.048 -3.226 -1.450 261 HG3 GLU 34 3HG GLU 34 -12.620 -2.590 -0.976 262 H THR 35 H THR 35 -11.888 -0.805 -0.074 263 HA THR 35 HA THR 35 -14.481 0.472 -0.048 264 HB THR 35 HB THR 35 -14.441 -0.035 2.391 265 HG1 THR 35 HG1 THR 35 -12.155 0.192 2.723 266 HG21 THR 35 3HG2 THR 35 -15.216 -1.772 0.821 267 HG22 THR 35 1HG2 THR 35 -14.398 -2.496 2.206 268 HG23 THR 35 2HG2 THR 35 -13.567 -2.379 0.655 269 H ASP 36 H ASP 36 -11.197 1.330 0.807 270 HA ASP 36 HA ASP 36 -11.981 4.087 1.566 271 HB2 ASP 36 2HB ASP 36 -9.841 2.436 3.001 272 HB3 ASP 36 3HB ASP 36 -10.306 4.092 3.382 273 HA PRO 37 HA PRO 37 -8.651 3.939 -1.764 274 HB2 PRO 37 2HB PRO 37 -10.201 6.122 -3.051 275 HB3 PRO 37 3HB PRO 37 -9.674 4.577 -3.723 276 HG2 PRO 37 2HG PRO 37 -12.283 5.079 -3.151 277 HG3 PRO 37 3HG PRO 37 -11.576 3.453 -3.012 278 HD2 PRO 37 2HD PRO 37 -12.150 5.465 -0.839 279 HD3 PRO 37 3HD PRO 37 -12.424 3.708 -0.847 280 H ASP 38 H ASP 38 -10.041 6.388 0.213 281 HA ASP 38 HA ASP 38 -8.222 8.533 -0.341 282 HB2 ASP 38 2HB ASP 38 -9.263 9.678 1.529 283 HB3 ASP 38 3HB ASP 38 -10.520 8.866 0.604 284 H TYR 39 H TYR 39 -8.180 5.754 1.818 285 HA TYR 39 HA TYR 39 -6.256 6.742 3.669 286 HB2 TYR 39 2HB TYR 39 -7.941 4.754 3.968 287 HB3 TYR 39 3HB TYR 39 -6.715 3.771 3.176 288 HD1 TYR 39 HD2 TYR 39 -4.537 3.325 4.329 289 HD2 TYR 39 HD1 TYR 39 -7.582 5.628 6.245 290 HE1 TYR 39 HE2 TYR 39 -3.367 3.090 6.476 291 HE2 TYR 39 HE1 TYR 39 -6.405 5.400 8.391 292 HH TYR 39 HH TYR 39 -4.801 4.022 9.472 293 H VAL 40 H VAL 40 -4.506 7.530 2.652 294 HA VAL 40 HA VAL 40 -3.131 6.447 0.429 295 HB VAL 40 HB VAL 40 -2.065 8.416 2.508 296 HG11 VAL 40 1HG1 VAL 40 -0.607 9.245 0.681 297 HG12 VAL 40 2HG1 VAL 40 -1.193 7.952 -0.363 298 HG13 VAL 40 3HG1 VAL 40 -0.271 7.561 1.087 299 HG21 VAL 40 3HG2 VAL 40 -3.578 9.025 -0.055 300 HG22 VAL 40 1HG2 VAL 40 -2.886 10.216 1.048 301 HG23 VAL 40 2HG2 VAL 40 -4.217 9.187 1.580 302 H GLY 41 H GLY 41 -2.734 6.006 3.893 303 HA2 GLY 41 2HA GLY 41 -0.094 5.077 4.092 304 HA3 GLY 41 3HA GLY 41 -1.400 4.685 5.198 305 H THR 42 H THR 42 -3.050 3.381 3.231 306 HA THR 42 HA THR 42 -2.261 0.715 3.353 307 HB THR 42 HB THR 42 -4.172 2.093 1.415 308 HG1 THR 42 HG1 THR 42 -5.698 1.619 2.928 309 HG21 THR 42 3HG2 THR 42 -3.516 -0.104 0.504 310 HG22 THR 42 1HG2 THR 42 -5.182 -0.143 1.082 311 HG23 THR 42 2HG2 THR 42 -3.897 -0.873 2.047 312 H TYR 43 H TYR 43 -2.015 3.043 0.666 313 HA TYR 43 HA TYR 43 -1.388 1.222 -1.362 314 HB2 TYR 43 2HB TYR 43 -0.914 4.220 -1.184 315 HB3 TYR 43 3HB TYR 43 -0.651 3.282 -2.658 316 HD1 TYR 43 HD2 TYR 43 -2.547 2.343 -3.909 317 HD2 TYR 43 HD1 TYR 43 -3.222 4.650 -0.375 318 HE1 TYR 43 HE2 TYR 43 -4.909 2.570 -4.504 319 HE2 TYR 43 HE1 TYR 43 -5.587 4.866 -0.979 320 HH TYR 43 HH TYR 43 -6.960 4.781 -2.992 321 H TYR 44 H TYR 44 0.820 3.307 0.546 322 HA TYR 44 HA TYR 44 3.225 2.513 -0.489 323 HB2 TYR 44 2HB TYR 44 2.917 4.290 1.231 324 HB3 TYR 44 3HB TYR 44 2.628 3.054 2.453 325 HD1 TYR 44 HD1 TYR 44 5.243 3.997 -0.113 326 HD2 TYR 44 HD2 TYR 44 4.475 2.415 3.788 327 HE1 TYR 44 HE1 TYR 44 7.665 3.880 0.327 328 HE2 TYR 44 HE2 TYR 44 6.883 2.303 4.218 329 HH TYR 44 HH TYR 44 9.188 3.825 2.284 330 H HIS 45 H HIS 45 1.762 1.020 2.435 331 HA HIS 45 HA HIS 45 3.643 -1.066 2.697 332 HB2 HIS 45 2HB HIS 45 0.810 -0.854 3.786 333 HB3 HIS 45 3HB HIS 45 1.924 -2.144 4.236 334 HD1 HIS 45 HD1 HIS 45 2.903 -1.676 6.457 335 HD2 HIS 45 HD2 HIS 45 2.366 1.797 4.245 336 HE1 HIS 45 HE1 HIS 45 3.695 0.201 7.928 337 HE2 HIS 45 HE2 HIS 45 3.178 2.293 6.637 338 H LEU 46 H LEU 46 0.671 -0.960 0.853 339 HA LEU 46 HA LEU 46 0.412 -3.757 0.326 340 HB2 LEU 46 2HB LEU 46 -1.506 -2.253 0.164 341 HB3 LEU 46 3HB LEU 46 -0.716 -1.319 -1.094 342 HG LEU 46 HG LEU 46 -0.960 -3.137 -2.702 343 HD11 LEU 46 1HD1 LEU 46 -2.055 -5.260 -2.213 344 HD12 LEU 46 2HD1 LEU 46 -2.216 -4.823 -0.514 345 HD13 LEU 46 3HD1 LEU 46 -0.617 -5.072 -1.213 346 HD21 LEU 46 3HD2 LEU 46 -3.418 -3.274 -2.857 347 HD22 LEU 46 1HD2 LEU 46 -2.871 -1.641 -2.480 348 HD23 LEU 46 2HD2 LEU 46 -3.556 -2.658 -1.209 349 H GLY 47 H GLY 47 1.894 -1.007 -1.399 350 HA2 GLY 47 2HA GLY 47 2.663 -2.483 -3.736 351 HA3 GLY 47 3HA GLY 47 3.206 -0.879 -3.266 352 H LYS 48 H LYS 48 4.198 -1.606 -0.679 353 HA LYS 48 HA LYS 48 6.854 -2.400 -1.197 354 HB2 LYS 48 2HB LYS 48 5.320 -2.360 1.445 355 HB3 LYS 48 3HB LYS 48 7.063 -2.576 1.317 356 HG2 LYS 48 2HG LYS 48 5.543 -0.098 0.439 357 HG3 LYS 48 3HG LYS 48 6.409 -0.267 1.963 358 HD2 LYS 48 2HD LYS 48 7.706 -0.466 -0.785 359 HD3 LYS 48 3HD LYS 48 7.658 1.007 0.186 360 HE2 LYS 48 2HE LYS 48 8.965 -1.593 1.037 361 HE3 LYS 48 3HE LYS 48 9.811 -0.194 0.377 362 HZ1 LYS 48 3HZ LYS 48 9.170 1.100 2.259 363 HZ2 LYS 48 1HZ LYS 48 9.880 -0.330 2.812 364 HZ3 LYS 48 2HZ LYS 48 8.202 -0.148 2.871 365 H LEU 49 H LEU 49 4.023 -4.092 0.006 366 HA LEU 49 HA LEU 49 5.245 -6.616 0.533 367 HB2 LEU 49 2HB LEU 49 3.149 -5.952 1.597 368 HB3 LEU 49 3HB LEU 49 2.347 -5.839 0.041 369 HG LEU 49 HG LEU 49 2.377 -8.256 -0.240 370 HD11 LEU 49 1HD1 LEU 49 4.567 -8.797 0.724 371 HD12 LEU 49 2HD1 LEU 49 3.307 -9.798 1.439 372 HD13 LEU 49 3HD1 LEU 49 3.964 -8.433 2.344 373 HD21 LEU 49 3HD2 LEU 49 0.536 -7.335 1.095 374 HD22 LEU 49 1HD2 LEU 49 1.481 -7.529 2.574 375 HD23 LEU 49 2HD2 LEU 49 0.963 -8.946 1.659 376 H TYR 50 H TYR 50 3.539 -5.217 -2.268 377 HA TYR 50 HA TYR 50 3.558 -7.459 -3.980 378 HB2 TYR 50 2HB TYR 50 3.441 -4.471 -4.470 379 HB3 TYR 50 3HB TYR 50 3.573 -5.574 -5.835 380 HD1 TYR 50 HD2 TYR 50 1.815 -7.817 -4.865 381 HD2 TYR 50 HD1 TYR 50 1.229 -3.582 -4.780 382 HE1 TYR 50 HE2 TYR 50 -0.602 -8.149 -4.940 383 HE2 TYR 50 HE1 TYR 50 -1.209 -3.934 -4.864 384 HH TYR 50 HH TYR 50 -2.800 -5.649 -5.586 385 H GLU 51 H GLU 51 6.000 -4.922 -3.452 386 HA GLU 51 HA GLU 51 7.862 -5.626 -5.422 387 HB2 GLU 51 2HB GLU 51 8.291 -4.408 -2.665 388 HB3 GLU 51 3HB GLU 51 9.571 -4.553 -3.864 389 HG2 GLU 51 2HG GLU 51 8.156 -3.138 -5.420 390 HG3 GLU 51 3HG GLU 51 7.054 -2.879 -4.067 391 H ARG 52 H ARG 52 7.341 -6.913 -2.188 392 HA ARG 52 HA ARG 52 9.653 -8.606 -2.041 393 HB2 ARG 52 2HB ARG 52 7.057 -8.625 -0.442 394 HB3 ARG 52 3HB ARG 52 8.496 -9.558 -0.032 395 HG2 ARG 52 2HG ARG 52 9.766 -7.454 0.262 396 HG3 ARG 52 3HG ARG 52 8.312 -6.532 -0.121 397 HD2 ARG 52 2HD ARG 52 7.183 -7.465 1.843 398 HD3 ARG 52 3HD ARG 52 8.615 -8.438 2.216 399 HE ARG 52 HE ARG 52 9.201 -5.638 2.040 400 HH11 ARG 52 1HH1 ARG 52 7.997 -8.134 4.193 401 HH12 ARG 52 2HH1 ARG 52 8.341 -7.222 5.626 402 HH21 ARG 52 1HH2 ARG 52 9.632 -4.465 3.937 403 HH22 ARG 52 2HH2 ARG 52 9.262 -5.165 5.479 404 H LEU 53 H LEU 53 6.326 -9.045 -3.102 405 HA LEU 53 HA LEU 53 6.544 -11.936 -3.447 406 HB2 LEU 53 2HB LEU 53 4.319 -10.031 -4.288 407 HB3 LEU 53 3HB LEU 53 4.207 -11.781 -4.205 408 HG LEU 53 HG LEU 53 4.514 -9.906 -1.825 409 HD11 LEU 53 1HD1 LEU 53 2.098 -11.510 -2.715 410 HD12 LEU 53 2HD1 LEU 53 2.284 -9.758 -2.826 411 HD13 LEU 53 3HD1 LEU 53 2.215 -10.533 -1.247 412 HD21 LEU 53 3HD2 LEU 53 4.196 -12.927 -1.835 413 HD22 LEU 53 1HD2 LEU 53 4.157 -11.892 -0.402 414 HD23 LEU 53 2HD2 LEU 53 5.635 -12.028 -1.351 415 H ASP 54 H ASP 54 8.058 -9.689 -5.108 416 HA ASP 54 HA ASP 54 8.709 -9.123 -7.175 417 HB2 ASP 54 2HB ASP 54 9.447 -11.542 -7.085 418 HB3 ASP 54 3HB ASP 54 7.976 -11.980 -7.943 419 H ARG 55 H ARG 55 5.758 -9.034 -6.492 420 HA ARG 55 HA ARG 55 4.398 -8.903 -9.072 421 HB2 ARG 55 2HB ARG 55 3.474 -8.138 -6.260 422 HB3 ARG 55 3HB ARG 55 2.445 -8.162 -7.686 423 HG2 ARG 55 2HG ARG 55 3.791 -10.594 -6.463 424 HG3 ARG 55 3HG ARG 55 2.108 -10.122 -6.215 425 HD2 ARG 55 2HD ARG 55 3.374 -10.916 -8.860 426 HD3 ARG 55 3HD ARG 55 2.268 -11.900 -7.893 427 HE ARG 55 HE ARG 55 1.431 -9.284 -8.973 428 HH11 ARG 55 1HH1 ARG 55 0.900 -12.736 -8.788 429 HH12 ARG 55 2HH1 ARG 55 -0.636 -12.653 -9.584 430 HH21 ARG 55 1HH2 ARG 55 -0.549 -9.172 -9.999 431 HH22 ARG 55 2HH2 ARG 55 -1.455 -10.624 -10.294 432 H THR 56 H THR 56 6.407 -7.408 -9.465 433 HA THR 56 HA THR 56 6.622 -4.854 -8.300 434 HB THR 56 HB THR 56 7.737 -5.888 -10.946 435 HG1 THR 56 HG1 THR 56 8.708 -7.184 -9.558 436 HG21 THR 56 3HG2 THR 56 8.715 -3.605 -9.189 437 HG22 THR 56 1HG2 THR 56 7.933 -3.425 -10.762 438 HG23 THR 56 2HG2 THR 56 9.510 -4.204 -10.643 439 H ASP 57 H ASP 57 5.032 -6.063 -11.221 440 HA ASP 57 HA ASP 57 4.340 -3.623 -12.470 441 HB2 ASP 57 2HB ASP 57 4.219 -5.853 -13.586 442 HB3 ASP 57 3HB ASP 57 2.881 -6.310 -12.543 443 H ASP 58 H ASP 58 2.708 -5.626 -10.076 444 HA ASP 58 HA ASP 58 0.303 -4.140 -9.783 445 HB2 ASP 58 2HB ASP 58 1.696 -5.958 -7.759 446 HB3 ASP 58 3HB ASP 58 0.014 -5.433 -7.682 447 H ALA 59 H ALA 59 3.458 -4.062 -8.163 448 HA ALA 59 HA ALA 59 2.924 -2.282 -6.069 449 HB1 ALA 59 3HB ALA 59 5.539 -2.646 -7.575 450 HB2 ALA 59 1HB ALA 59 5.007 -3.595 -6.185 451 HB3 ALA 59 2HB ALA 59 5.359 -1.878 -5.996 452 H ILE 60 H ILE 60 4.136 -1.637 -9.375 453 HA ILE 60 HA ILE 60 4.409 1.155 -9.246 454 HB ILE 60 HB ILE 60 3.622 -0.452 -11.727 455 HG12 ILE 60 2HG1 ILE 60 5.636 -1.469 -10.787 456 HG13 ILE 60 3HG1 ILE 60 6.087 -0.575 -12.227 457 HG21 ILE 60 1HG2 ILE 60 4.723 1.357 -13.013 458 HG22 ILE 60 2HG2 ILE 60 5.020 2.241 -11.516 459 HG23 ILE 60 3HG2 ILE 60 3.368 1.962 -12.062 460 HD11 ILE 60 3HD1 ILE 60 7.726 -0.298 -10.494 461 HD12 ILE 60 1HD1 ILE 60 6.506 0.302 -9.372 462 HD13 ILE 60 2HD1 ILE 60 6.931 1.244 -10.807 463 H ASP 61 H ASP 61 1.661 -0.878 -10.084 464 HA ASP 61 HA ASP 61 -0.157 1.126 -10.926 465 HB2 ASP 61 2HB ASP 61 -0.338 -1.337 -11.450 466 HB3 ASP 61 3HB ASP 61 -0.791 -1.635 -9.779 467 H THR 62 H THR 62 0.392 -0.470 -7.795 468 HA THR 62 HA THR 62 -1.802 0.647 -6.378 469 HB THR 62 HB THR 62 0.825 -0.479 -5.288 470 HG1 THR 62 HG1 THR 62 -0.726 -1.822 -6.647 471 HG21 THR 62 3HG2 THR 62 -0.436 -0.903 -3.209 472 HG22 THR 62 1HG2 THR 62 -1.851 -0.102 -3.889 473 HG23 THR 62 2HG2 THR 62 -0.382 0.823 -3.565 474 H TYR 63 H TYR 63 1.625 1.535 -6.620 475 HA TYR 63 HA TYR 63 1.591 3.772 -4.896 476 HB2 TYR 63 2HB TYR 63 3.464 3.083 -7.193 477 HB3 TYR 63 3HB TYR 63 3.727 4.440 -6.095 478 HD1 TYR 63 HD2 TYR 63 3.010 3.268 -3.467 479 HD2 TYR 63 HD1 TYR 63 5.231 1.556 -6.691 480 HE1 TYR 63 HE2 TYR 63 4.194 1.821 -1.887 481 HE2 TYR 63 HE1 TYR 63 6.414 0.109 -5.098 482 HH TYR 63 HH TYR 63 6.955 0.014 -2.795 483 H ALA 64 H ALA 64 1.090 3.477 -8.410 484 HA ALA 64 HA ALA 64 0.842 6.172 -9.119 485 HB1 ALA 64 3HB ALA 64 1.034 4.356 -10.764 486 HB2 ALA 64 1HB ALA 64 -0.389 5.348 -11.098 487 HB3 ALA 64 2HB ALA 64 -0.570 3.769 -10.326 488 H GLN 65 H GLN 65 -1.699 3.854 -8.186 489 HA GLN 65 HA GLN 65 -3.928 5.569 -8.117 490 HB2 GLN 65 2HB GLN 65 -3.245 2.974 -6.695 491 HB3 GLN 65 3HB GLN 65 -4.765 3.794 -6.363 492 HG2 GLN 65 2HG GLN 65 -4.058 3.199 -9.222 493 HG3 GLN 65 3HG GLN 65 -4.602 1.880 -8.193 494 HE21 GLN 65 1HE2 GLN 65 -5.885 5.157 -7.782 495 HE22 GLN 65 2HE2 GLN 65 -7.462 4.797 -8.366 496 H GLY 66 H GLY 66 -1.549 4.737 -5.679 497 HA2 GLY 66 2HA GLY 66 -2.450 6.172 -3.487 498 HA3 GLY 66 3HA GLY 66 -0.777 5.767 -3.828 499 H ILE 67 H ILE 67 -0.392 7.268 -6.178 500 HA ILE 67 HA ILE 67 0.488 9.723 -5.141 501 HB ILE 67 HB ILE 67 0.083 8.777 -8.012 502 HG12 ILE 67 2HG1 ILE 67 2.677 9.164 -6.428 503 HG13 ILE 67 3HG1 ILE 67 1.837 7.629 -6.590 504 HG21 ILE 67 1HG2 ILE 67 1.513 11.339 -7.198 505 HG22 ILE 67 2HG2 ILE 67 -0.026 11.244 -8.047 506 HG23 ILE 67 3HG2 ILE 67 1.441 10.664 -8.829 507 HD11 ILE 67 3HD1 ILE 67 3.728 7.783 -8.083 508 HD12 ILE 67 1HD1 ILE 67 3.044 9.216 -8.848 509 HD13 ILE 67 2HD1 ILE 67 2.226 7.657 -8.997 510 H GLU 68 H GLU 68 -2.435 8.893 -6.939 511 HA GLU 68 HA GLU 68 -3.462 11.470 -7.467 512 HB2 GLU 68 2HB GLU 68 -5.014 8.887 -6.974 513 HB3 GLU 68 3HB GLU 68 -5.616 10.310 -7.820 514 HG2 GLU 68 2HG GLU 68 -3.949 9.936 -9.617 515 HG3 GLU 68 3HG GLU 68 -3.356 8.514 -8.757 516 H VAL 69 H VAL 69 -4.037 9.191 -4.810 517 HA VAL 69 HA VAL 69 -5.822 11.009 -3.404 518 HB VAL 69 HB VAL 69 -6.152 9.231 -1.783 519 HG11 VAL 69 1HG1 VAL 69 -6.164 8.143 -4.624 520 HG12 VAL 69 2HG1 VAL 69 -7.438 9.096 -3.863 521 HG13 VAL 69 3HG1 VAL 69 -7.080 7.477 -3.268 522 HG21 VAL 69 3HG2 VAL 69 -5.008 7.053 -1.909 523 HG22 VAL 69 1HG2 VAL 69 -3.854 8.351 -1.603 524 HG23 VAL 69 2HG2 VAL 69 -3.981 7.647 -3.217 525 H ALA 70 H ALA 70 -2.439 10.418 -3.434 526 HA ALA 70 HA ALA 70 -1.853 10.927 -0.670 527 HB1 ALA 70 3HB ALA 70 0.003 11.001 -3.063 528 HB2 ALA 70 1HB ALA 70 -0.359 9.581 -2.080 529 HB3 ALA 70 2HB ALA 70 0.491 10.952 -1.365 530 H ARG 71 H ARG 71 -1.659 12.852 -3.654 531 HA ARG 71 HA ARG 71 -0.645 15.205 -2.455 532 HB2 ARG 71 2HB ARG 71 -1.295 16.343 -4.563 533 HB3 ARG 71 3HB ARG 71 -0.429 14.839 -4.845 534 HG2 ARG 71 2HG ARG 71 -2.695 13.737 -5.209 535 HG3 ARG 71 3HG ARG 71 -3.393 15.359 -5.201 536 HD2 ARG 71 2HD ARG 71 -1.322 14.276 -7.135 537 HD3 ARG 71 3HD ARG 71 -3.019 14.612 -7.485 538 HE ARG 71 HE ARG 71 -1.986 17.012 -6.630 539 HH11 ARG 71 1HH1 ARG 71 -1.285 14.788 -9.262 540 HH12 ARG 71 2HH1 ARG 71 -0.618 16.025 -10.279 541 HH21 ARG 71 1HH2 ARG 71 -1.102 18.624 -8.013 542 HH22 ARG 71 2HH2 ARG 71 -0.531 18.177 -9.593 543 H GLU 72 H GLU 72 -4.013 14.100 -2.929 544 HA GLU 72 HA GLU 72 -5.076 16.645 -1.927 545 HB2 GLU 72 2HB GLU 72 -6.489 14.142 -2.920 546 HB3 GLU 72 3HB GLU 72 -7.327 15.576 -2.333 547 HG2 GLU 72 2HG GLU 72 -6.176 16.906 -4.130 548 HG3 GLU 72 3HG GLU 72 -5.520 15.398 -4.761 549 H GLU 73 H GLU 73 -5.270 13.204 -0.931 550 HA GLU 73 HA GLU 73 -6.710 13.890 1.492 551 HB2 GLU 73 2HB GLU 73 -5.811 11.164 0.486 552 HB3 GLU 73 3HB GLU 73 -6.934 11.447 1.814 553 HG2 GLU 73 2HG GLU 73 -7.390 12.201 -1.093 554 HG3 GLU 73 3HG GLU 73 -8.092 10.810 -0.268 555 H GLY 74 H GLY 74 -3.470 12.588 0.688 556 HA2 GLY 74 2HA GLY 74 -2.683 12.579 3.525 557 HA3 GLY 74 3HA GLY 74 -1.744 11.996 2.154 558 H THR 75 H THR 75 -0.026 13.301 3.307 559 HA THR 75 HA THR 75 -0.075 16.169 2.588 560 HB THR 75 HB THR 75 2.001 16.349 3.916 561 HG1 THR 75 HG1 THR 75 1.799 13.549 3.963 562 HG21 THR 75 3HG2 THR 75 -0.125 16.573 5.148 563 HG22 THR 75 1HG2 THR 75 1.118 15.832 6.157 564 HG23 THR 75 2HG2 THR 75 -0.145 14.833 5.442 565 H GLN 76 H GLN 76 2.208 16.962 1.755 566 HA GLN 76 HA GLN 76 2.773 15.858 -0.783 567 HB2 GLN 76 2HB GLN 76 3.230 18.229 -0.233 568 HB3 GLN 76 3HB GLN 76 4.478 17.745 0.910 569 HG2 GLN 76 2HG GLN 76 5.821 16.820 -0.951 570 HG3 GLN 76 3HG GLN 76 4.566 17.288 -2.094 571 HE21 GLN 76 1HE2 GLN 76 4.321 19.483 -2.619 572 HE22 GLN 76 2HE2 GLN 76 5.550 20.647 -2.279 573 H LYS 77 H LYS 77 4.068 15.158 2.387 574 HA LYS 77 HA LYS 77 6.441 13.786 1.746 575 HB2 LYS 77 2HB LYS 77 5.861 14.386 4.066 576 HB3 LYS 77 3HB LYS 77 4.471 13.306 4.022 577 HG2 LYS 77 2HG LYS 77 6.045 11.371 3.715 578 HG3 LYS 77 3HG LYS 77 7.397 12.487 3.928 579 HD2 LYS 77 2HD LYS 77 6.616 13.012 6.208 580 HD3 LYS 77 3HD LYS 77 5.214 11.963 5.984 581 HE2 LYS 77 2HE LYS 77 6.758 10.018 5.700 582 HE3 LYS 77 3HE LYS 77 8.120 11.086 6.037 583 HZ1 LYS 77 3HZ LYS 77 5.896 10.428 7.889 584 HZ2 LYS 77 1HZ LYS 77 7.138 11.535 8.211 585 HZ3 LYS 77 2HZ LYS 77 7.499 9.901 8.000 586 H ASP 78 H ASP 78 3.098 12.622 2.134 587 HA ASP 78 HA ASP 78 3.557 9.857 1.661 588 HB2 ASP 78 2HB ASP 78 1.004 11.492 1.315 589 HB3 ASP 78 3HB ASP 78 1.071 9.732 1.250 590 H LEU 79 H LEU 79 2.587 12.524 -0.417 591 HA LEU 79 HA LEU 79 2.266 11.251 -2.879 592 HB2 LEU 79 2HB LEU 79 1.657 13.599 -2.445 593 HB3 LEU 79 3HB LEU 79 3.347 14.020 -2.214 594 HG LEU 79 HG LEU 79 3.784 13.519 -4.625 595 HD11 LEU 79 1HD1 LEU 79 1.903 13.221 -6.183 596 HD12 LEU 79 2HD1 LEU 79 0.787 13.104 -4.818 597 HD13 LEU 79 3HD1 LEU 79 2.038 11.877 -5.050 598 HD21 LEU 79 3HD2 LEU 79 3.312 15.821 -3.909 599 HD22 LEU 79 1HD2 LEU 79 1.583 15.562 -4.160 600 HD23 LEU 79 2HD2 LEU 79 2.695 15.525 -5.531 601 H SER 80 H SER 80 5.156 12.645 -1.391 602 HA SER 80 HA SER 80 6.982 12.148 -3.487 603 HB2 SER 80 2HB SER 80 7.362 13.871 -1.757 604 HB3 SER 80 3HB SER 80 7.491 12.620 -0.520 605 HG SER 80 HG SER 80 9.477 12.276 -1.099 606 H GLU 81 H GLU 81 5.960 10.199 -0.703 607 HA GLU 81 HA GLU 81 8.051 8.283 -0.758 608 HB2 GLU 81 2HB GLU 81 5.207 7.967 0.306 609 HB3 GLU 81 3HB GLU 81 6.528 6.843 0.618 610 HG2 GLU 81 2HG GLU 81 6.254 9.691 1.593 611 HG3 GLU 81 3HG GLU 81 6.225 8.221 2.553 612 H LEU 82 H LEU 82 4.824 8.368 -2.196 613 HA LEU 82 HA LEU 82 4.899 5.678 -3.211 614 HB2 LEU 82 2HB LEU 82 3.016 7.989 -3.796 615 HB3 LEU 82 3HB LEU 82 2.725 6.310 -4.245 616 HG LEU 82 HG LEU 82 3.071 7.251 -1.367 617 HD11 LEU 82 1HD1 LEU 82 0.489 6.648 -2.798 618 HD12 LEU 82 2HD1 LEU 82 1.058 8.244 -2.312 619 HD13 LEU 82 3HD1 LEU 82 0.674 7.038 -1.088 620 HD21 LEU 82 3HD2 LEU 82 2.098 4.596 -2.467 621 HD22 LEU 82 1HD2 LEU 82 2.141 5.052 -0.762 622 HD23 LEU 82 2HD2 LEU 82 3.643 4.892 -1.668 623 H GLN 83 H GLN 83 5.534 8.864 -4.569 624 HA GLN 83 HA GLN 83 5.893 8.099 -7.293 625 HB2 GLN 83 2HB GLN 83 6.995 10.452 -5.698 626 HB3 GLN 83 3HB GLN 83 7.196 10.276 -7.441 627 HG2 GLN 83 2HG GLN 83 4.818 10.447 -7.806 628 HG3 GLN 83 3HG GLN 83 4.492 10.390 -6.078 629 HE21 GLN 83 1HE2 GLN 83 6.618 12.242 -5.343 630 HE22 GLN 83 2HE2 GLN 83 6.113 13.805 -5.865 631 H ASP 84 H ASP 84 8.100 8.498 -4.544 632 HA ASP 84 HA ASP 84 10.536 7.844 -5.804 633 HB2 ASP 84 2HB ASP 84 10.379 8.968 -3.594 634 HB3 ASP 84 3HB ASP 84 9.720 7.502 -2.879 635 H ALA 85 H ALA 85 8.118 5.877 -4.131 636 HA ALA 85 HA ALA 85 9.670 3.539 -3.889 637 HB1 ALA 85 3HB ALA 85 7.795 4.071 -2.382 638 HB2 ALA 85 1HB ALA 85 7.617 2.471 -3.108 639 HB3 ALA 85 2HB ALA 85 6.660 3.828 -3.711 640 H LYS 86 H LYS 86 7.180 4.517 -6.264 641 HA LYS 86 HA LYS 86 7.263 2.078 -7.716 642 HB2 LYS 86 2HB LYS 86 6.066 3.219 -9.521 643 HB3 LYS 86 3HB LYS 86 5.349 3.559 -7.955 644 HG2 LYS 86 2HG LYS 86 6.303 5.787 -7.925 645 HG3 LYS 86 3HG LYS 86 7.205 5.466 -9.409 646 HD2 LYS 86 2HD LYS 86 4.169 5.534 -9.169 647 HD3 LYS 86 3HD LYS 86 5.173 6.840 -9.804 648 HE2 LYS 86 2HE LYS 86 5.958 5.319 -11.605 649 HE3 LYS 86 3HE LYS 86 4.877 4.063 -10.998 650 HZ1 LYS 86 3HZ LYS 86 3.000 5.529 -11.462 651 HZ2 LYS 86 1HZ LYS 86 3.914 5.252 -12.858 652 HZ3 LYS 86 2HZ LYS 86 4.053 6.717 -12.034 653 H LEU 87 H LEU 87 9.164 5.131 -8.140 654 HA LEU 87 HA LEU 87 10.246 4.297 -10.652 655 HB2 LEU 87 2HB LEU 87 11.821 6.193 -10.464 656 HB3 LEU 87 3HB LEU 87 10.153 6.643 -10.196 657 HG LEU 87 HG LEU 87 10.752 6.566 -7.657 658 HD11 LEU 87 1HD1 LEU 87 13.563 6.848 -8.751 659 HD12 LEU 87 2HD1 LEU 87 12.941 5.506 -7.789 660 HD13 LEU 87 3HD1 LEU 87 13.068 7.109 -7.076 661 HD21 LEU 87 3HD2 LEU 87 11.848 8.784 -9.418 662 HD22 LEU 87 1HD2 LEU 87 11.503 8.911 -7.688 663 HD23 LEU 87 2HD2 LEU 87 10.190 8.631 -8.827 664 H LYS 88 H LYS 88 11.382 3.891 -7.311 665 HA LYS 88 HA LYS 88 13.799 2.573 -8.123 666 HB2 LYS 88 2HB LYS 88 14.127 2.038 -5.740 667 HB3 LYS 88 3HB LYS 88 13.800 3.732 -6.028 668 HG2 LYS 88 2HG LYS 88 12.541 3.438 -4.147 669 HG3 LYS 88 3HG LYS 88 11.323 3.052 -5.360 670 HD2 LYS 88 2HD LYS 88 11.612 0.676 -4.980 671 HD3 LYS 88 3HD LYS 88 13.012 0.962 -3.945 672 HE2 LYS 88 2HE LYS 88 11.498 2.180 -2.342 673 HE3 LYS 88 3HE LYS 88 10.129 1.700 -3.346 674 HZ1 LYS 88 3HZ LYS 88 12.005 -0.179 -2.028 675 HZ2 LYS 88 1HZ LYS 88 10.619 -0.587 -2.901 676 HZ3 LYS 88 2HZ LYS 88 10.481 0.236 -1.438 677 H ALA 89 H ALA 89 10.533 1.392 -7.210 678 HA ALA 89 HA ALA 89 10.998 -1.333 -7.174 679 HB1 ALA 89 3HB ALA 89 8.860 -0.303 -6.522 680 HB2 ALA 89 1HB ALA 89 8.608 -1.606 -7.688 681 HB3 ALA 89 2HB ALA 89 8.519 0.079 -8.210 682 H GLU 90 H GLU 90 10.587 0.776 -9.980 683 HA GLU 90 HA GLU 90 10.305 -0.922 -12.107 684 HB2 GLU 90 2HB GLU 90 12.058 1.563 -11.905 685 HB3 GLU 90 3HB GLU 90 11.682 0.783 -13.434 686 HG2 GLU 90 2HG GLU 90 9.527 1.819 -11.581 687 HG3 GLU 90 3HG GLU 90 10.302 2.839 -12.788 688 H GLY 91 H GLY 91 13.119 -0.704 -10.095 689 HA2 GLY 91 2HA GLY 91 14.925 -2.026 -12.024 690 HA3 GLY 91 3HA GLY 91 15.384 -1.271 -10.507 691 H LEU 92 H LEU 92 12.645 -3.387 -10.344 692 HA LEU 92 HA LEU 92 14.206 -5.311 -8.761 693 HB2 LEU 92 2HB LEU 92 11.218 -4.908 -9.095 694 HB3 LEU 92 3HB LEU 92 11.906 -6.241 -8.177 695 HG LEU 92 HG LEU 92 12.321 -3.300 -7.522 696 HD11 LEU 92 1HD1 LEU 92 10.792 -3.680 -5.648 697 HD12 LEU 92 2HD1 LEU 92 10.506 -5.333 -6.197 698 HD13 LEU 92 3HD1 LEU 92 9.992 -3.968 -7.192 699 HD21 LEU 92 3HD2 LEU 92 13.091 -5.791 -5.949 700 HD22 LEU 92 1HD2 LEU 92 13.270 -4.122 -5.397 701 HD23 LEU 92 2HD2 LEU 92 14.207 -4.698 -6.773 702 H GLU 93 H GLU 93 11.385 -5.915 -10.894 703 HA GLU 93 HA GLU 93 12.035 -8.618 -11.237 704 HB2 GLU 93 2HB GLU 93 10.213 -8.679 -12.920 705 HB3 GLU 93 3HB GLU 93 9.734 -7.858 -11.440 706 HG2 GLU 93 2HG GLU 93 9.880 -5.692 -12.497 707 HG3 GLU 93 3HG GLU 93 10.624 -6.380 -13.937 708 H HIS 94 H HIS 94 12.454 -5.879 -13.445 709 HA HIS 94 HA HIS 94 14.710 -7.144 -14.795 710 HB2 HIS 94 2HB HIS 94 12.279 -6.135 -16.373 711 HB3 HIS 94 3HB HIS 94 13.821 -6.588 -17.085 712 HD1 HIS 94 HD1 HIS 94 14.362 -9.128 -17.232 713 HD2 HIS 94 HD2 HIS 94 10.579 -8.286 -15.737 714 HE1 HIS 94 HE1 HIS 94 13.122 -11.304 -17.288 715 HE2 HIS 94 HE2 HIS 94 10.890 -10.799 -16.241 716 H HIS 95 H HIS 95 16.258 -5.595 -14.914 717 HA HIS 95 HA HIS 95 15.779 -2.774 -14.650 718 HB2 HIS 95 2HB HIS 95 18.257 -4.321 -15.544 719 HB3 HIS 95 3HB HIS 95 18.221 -2.572 -15.307 720 HD1 HIS 95 HD1 HIS 95 18.740 -5.724 -13.504 721 HD2 HIS 95 HD2 HIS 95 17.697 -1.817 -12.551 722 HE1 HIS 95 HE1 HIS 95 19.122 -5.506 -11.032 723 HE2 HIS 95 HE2 HIS 95 18.290 -3.203 -10.458 724 H HIS 96 H HIS 96 14.625 -1.814 -16.212 725 HA HIS 96 HA HIS 96 13.685 -3.032 -18.445 726 HB2 HIS 96 2HB HIS 96 13.791 -0.074 -17.790 727 HB3 HIS 96 3HB HIS 96 12.923 -0.695 -19.194 728 HD1 HIS 96 HD1 HIS 96 12.484 -0.030 -15.642 729 HD2 HIS 96 HD2 HIS 96 10.835 -2.646 -18.416 730 HE1 HIS 96 HE1 HIS 96 10.361 -0.864 -14.608 731 HE2 HIS 96 HE2 HIS 96 9.290 -2.285 -16.384 732 H HIS 97 H HIS 97 14.993 -3.931 -19.819 733 HA HIS 97 HA HIS 97 16.828 -2.323 -21.501 734 HB2 HIS 97 2HB HIS 97 17.941 -4.113 -20.135 735 HB3 HIS 97 3HB HIS 97 16.879 -5.319 -20.842 736 HD1 HIS 97 HD1 HIS 97 20.028 -3.493 -21.402 737 HD2 HIS 97 HD2 HIS 97 17.454 -5.878 -23.638 738 HE1 HIS 97 HE1 HIS 97 21.327 -4.170 -23.443 739 HE2 HIS 97 HE2 HIS 97 19.719 -5.517 -24.828 740 H HIS 98 H HIS 98 15.343 -1.726 -23.085 741 HA HIS 98 HA HIS 98 13.425 -3.632 -24.168 742 HB2 HIS 98 2HB HIS 98 12.870 -1.181 -23.786 743 HB3 HIS 98 3HB HIS 98 13.978 -0.769 -25.090 744 HD1 HIS 98 HD1 HIS 98 10.518 -1.687 -24.428 745 HD2 HIS 98 HD2 HIS 98 13.076 -1.876 -27.696 746 HE1 HIS 98 HE1 HIS 98 9.038 -2.024 -26.426 747 HE2 HIS 98 HE2 HIS 98 10.630 -2.381 -28.333 748 H HIS 99 H HIS 99 14.699 -5.193 -25.186 749 HA HIS 99 HA HIS 99 16.574 -4.525 -27.294 750 HB2 HIS 99 2HB HIS 99 16.888 -6.575 -25.908 751 HB3 HIS 99 3HB HIS 99 15.359 -7.217 -26.495 752 HD1 HIS 99 HD1 HIS 99 18.873 -6.477 -27.643 753 HD2 HIS 99 HD2 HIS 99 15.492 -8.493 -28.980 754 HE1 HIS 99 HE1 HIS 99 19.606 -7.751 -29.672 755 HE2 HIS 99 HE2 HIS 99 17.547 -8.963 -30.468 Start of MODEL 15 1 H1 GLU 1 1H GLU 1 -13.187 -3.164 18.431 2 H2 GLU 1 2H GLU 1 -12.169 -1.981 19.069 3 H3 GLU 1 3H GLU 1 -11.523 -3.438 18.516 4 HA GLU 1 HA GLU 1 -12.884 -1.411 16.847 5 HB2 GLU 1 2HB GLU 1 -9.922 -2.069 17.157 6 HB3 GLU 1 3HB GLU 1 -10.553 -1.173 15.783 7 HG2 GLU 1 2HG GLU 1 -9.658 0.415 17.320 8 HG3 GLU 1 3HG GLU 1 -11.412 0.566 17.355 9 H ASP 2 H ASP 2 -13.785 -2.301 15.096 10 HA ASP 2 HA ASP 2 -13.348 -5.074 14.376 11 HB2 ASP 2 2HB ASP 2 -15.116 -2.896 13.174 12 HB3 ASP 2 3HB ASP 2 -15.109 -4.568 12.615 13 HA PRO 3 HA PRO 3 -10.358 -4.342 11.068 14 HB2 PRO 3 2HB PRO 3 -11.615 -6.555 9.510 15 HB3 PRO 3 3HB PRO 3 -9.972 -6.425 10.144 16 HG2 PRO 3 2HG PRO 3 -11.753 -8.102 11.253 17 HG3 PRO 3 3HG PRO 3 -10.588 -7.220 12.264 18 HD2 PRO 3 2HD PRO 3 -13.501 -6.591 11.738 19 HD3 PRO 3 3HD PRO 3 -12.611 -6.594 13.281 20 H GLU 4 H GLU 4 -13.591 -3.661 10.699 21 HA GLU 4 HA GLU 4 -13.611 -2.767 7.962 22 HB2 GLU 4 2HB GLU 4 -15.444 -2.090 10.306 23 HB3 GLU 4 3HB GLU 4 -15.771 -1.697 8.617 24 HG2 GLU 4 2HG GLU 4 -15.863 -4.111 8.073 25 HG3 GLU 4 3HG GLU 4 -15.523 -4.505 9.760 26 H ASP 5 H ASP 5 -12.873 -1.397 11.117 27 HA ASP 5 HA ASP 5 -12.718 1.352 10.412 28 HB2 ASP 5 2HB ASP 5 -11.272 -0.146 12.643 29 HB3 ASP 5 3HB ASP 5 -11.401 1.601 12.517 30 HA PRO 6 HA PRO 6 -9.340 1.228 7.545 31 HB2 PRO 6 2HB PRO 6 -8.642 3.945 8.662 32 HB3 PRO 6 3HB PRO 6 -8.813 3.432 6.972 33 HG2 PRO 6 2HG PRO 6 -10.773 4.791 8.138 34 HG3 PRO 6 3HG PRO 6 -11.164 3.405 7.093 35 HD2 PRO 6 2HD PRO 6 -11.146 3.570 10.107 36 HD3 PRO 6 3HD PRO 6 -12.282 2.727 9.034 37 H PHE 7 H PHE 7 -8.193 2.802 10.575 38 HA PHE 7 HA PHE 7 -5.505 1.986 10.297 39 HB2 PHE 7 2HB PHE 7 -6.069 3.878 11.736 40 HB3 PHE 7 3HB PHE 7 -7.017 2.843 12.793 41 HD1 PHE 7 HD2 PHE 7 -3.508 3.204 11.485 42 HD2 PHE 7 HD1 PHE 7 -5.979 1.987 14.755 43 HE1 PHE 7 HE2 PHE 7 -1.509 2.752 12.843 44 HE2 PHE 7 HE1 PHE 7 -3.970 1.527 16.101 45 HZ PHE 7 HZ PHE 7 -1.731 1.911 15.145 46 H THR 8 H THR 8 -8.288 0.367 11.800 47 HA THR 8 HA THR 8 -6.899 -1.466 13.399 48 HB THR 8 HB THR 8 -9.607 -1.918 12.087 49 HG1 THR 8 HG1 THR 8 -10.432 -0.892 13.873 50 HG21 THR 8 3HG2 THR 8 -8.690 -4.001 13.067 51 HG22 THR 8 1HG2 THR 8 -10.036 -3.405 14.043 52 HG23 THR 8 2HG2 THR 8 -8.375 -3.163 14.587 53 H ARG 9 H ARG 9 -8.243 -2.023 10.073 54 HA ARG 9 HA ARG 9 -7.058 -4.634 9.843 55 HB2 ARG 9 2HB ARG 9 -7.757 -4.672 7.525 56 HB3 ARG 9 3HB ARG 9 -9.066 -4.038 8.508 57 HG2 ARG 9 2HG ARG 9 -7.259 -1.989 7.308 58 HG3 ARG 9 3HG ARG 9 -8.207 -2.911 6.158 59 HD2 ARG 9 2HD ARG 9 -9.636 -1.717 8.504 60 HD3 ARG 9 3HD ARG 9 -9.091 -0.644 7.217 61 HE ARG 9 HE ARG 9 -10.870 -2.971 6.743 62 HH11 ARG 9 1HH1 ARG 9 -10.018 0.379 6.150 63 HH12 ARG 9 2HH1 ARG 9 -11.322 0.643 5.048 64 HH21 ARG 9 1HH2 ARG 9 -12.602 -2.578 5.308 65 HH22 ARG 9 2HH2 ARG 9 -12.778 -1.013 4.585 66 H TYR 10 H TYR 10 -5.985 -1.393 9.106 67 HA TYR 10 HA TYR 10 -3.784 -1.911 7.404 68 HB2 TYR 10 2HB TYR 10 -4.684 0.329 7.633 69 HB3 TYR 10 3HB TYR 10 -4.395 0.334 9.364 70 HD1 TYR 10 HD2 TYR 10 -2.534 0.164 6.096 71 HD2 TYR 10 HD1 TYR 10 -2.443 1.391 10.188 72 HE1 TYR 10 HE2 TYR 10 -0.394 1.310 5.711 73 HE2 TYR 10 HE1 TYR 10 -0.314 2.540 9.791 74 HH TYR 10 HH TYR 10 0.859 3.250 6.763 75 H ALA 11 H ALA 11 -3.933 -1.420 10.918 76 HA ALA 11 HA ALA 11 -1.213 -1.975 11.502 77 HB1 ALA 11 3HB ALA 11 -3.626 -2.025 13.349 78 HB2 ALA 11 1HB ALA 11 -2.627 -0.615 12.995 79 HB3 ALA 11 2HB ALA 11 -1.937 -1.987 13.860 80 H LEU 12 H LEU 12 -4.182 -3.881 11.531 81 HA LEU 12 HA LEU 12 -3.237 -6.289 12.662 82 HB2 LEU 12 2HB LEU 12 -5.636 -5.718 12.439 83 HB3 LEU 12 3HB LEU 12 -5.506 -5.810 10.692 84 HG LEU 12 HG LEU 12 -5.116 -8.250 10.829 85 HD11 LEU 12 1HD1 LEU 12 -5.447 -7.964 13.826 86 HD12 LEU 12 2HD1 LEU 12 -3.968 -8.411 12.970 87 HD13 LEU 12 3HD1 LEU 12 -5.365 -9.481 12.929 88 HD21 LEU 12 3HD2 LEU 12 -7.376 -8.919 11.520 89 HD22 LEU 12 1HD2 LEU 12 -7.416 -7.427 10.580 90 HD23 LEU 12 2HD2 LEU 12 -7.603 -7.371 12.336 91 H ALA 13 H ALA 13 -3.352 -5.096 9.348 92 HA ALA 13 HA ALA 13 -2.404 -7.369 7.974 93 HB1 ALA 13 3HB ALA 13 -2.070 -4.443 7.238 94 HB2 ALA 13 1HB ALA 13 -3.448 -5.462 6.815 95 HB3 ALA 13 2HB ALA 13 -1.853 -5.812 6.145 96 H GLN 14 H GLN 14 -0.708 -4.593 9.398 97 HA GLN 14 HA GLN 14 1.946 -5.321 8.722 98 HB2 GLN 14 2HB GLN 14 0.870 -3.633 11.018 99 HB3 GLN 14 3HB GLN 14 2.565 -3.699 10.533 100 HG2 GLN 14 2HG GLN 14 2.076 -2.697 8.398 101 HG3 GLN 14 3HG GLN 14 0.340 -2.821 8.670 102 HE21 GLN 14 1HE2 GLN 14 2.016 -0.484 8.095 103 HE22 GLN 14 2HE2 GLN 14 1.710 0.643 9.357 104 H GLU 15 H GLU 15 -0.162 -6.274 11.376 105 HA GLU 15 HA GLU 15 1.798 -7.686 12.916 106 HB2 GLU 15 2HB GLU 15 -1.239 -7.977 12.868 107 HB3 GLU 15 3HB GLU 15 -0.172 -8.685 14.082 108 HG2 GLU 15 2HG GLU 15 0.566 -6.366 14.692 109 HG3 GLU 15 3HG GLU 15 -0.627 -5.732 13.572 110 H HIS 16 H HIS 16 -0.602 -8.662 10.463 111 HA HIS 16 HA HIS 16 -0.090 -11.405 10.345 112 HB2 HIS 16 2HB HIS 16 -1.062 -9.494 8.194 113 HB3 HIS 16 3HB HIS 16 -0.888 -11.215 7.887 114 HD1 HIS 16 HD1 HIS 16 -2.256 -12.697 9.903 115 HD2 HIS 16 HD2 HIS 16 -3.620 -8.922 8.861 116 HE1 HIS 16 HE1 HIS 16 -4.668 -12.644 10.587 117 HE2 HIS 16 HE2 HIS 16 -5.511 -10.434 9.730 118 H LEU 17 H LEU 17 1.611 -8.729 8.760 119 HA LEU 17 HA LEU 17 3.370 -10.130 7.086 120 HB2 LEU 17 2HB LEU 17 3.732 -7.512 8.590 121 HB3 LEU 17 3HB LEU 17 4.916 -8.104 7.435 122 HG LEU 17 HG LEU 17 2.027 -7.409 6.757 123 HD11 LEU 17 1HD1 LEU 17 2.925 -5.447 5.587 124 HD12 LEU 17 2HD1 LEU 17 4.552 -5.832 6.152 125 HD13 LEU 17 3HD1 LEU 17 3.298 -5.383 7.308 126 HD21 LEU 17 3HD2 LEU 17 2.909 -9.173 5.309 127 HD22 LEU 17 1HD2 LEU 17 4.336 -8.193 4.943 128 HD23 LEU 17 2HD2 LEU 17 2.735 -7.665 4.417 129 H LYS 18 H LYS 18 3.575 -9.390 10.516 130 HA LYS 18 HA LYS 18 6.236 -10.441 10.893 131 HB2 LYS 18 2HB LYS 18 4.093 -9.665 12.914 132 HB3 LYS 18 3HB LYS 18 5.789 -9.978 13.298 133 HG2 LYS 18 2HG LYS 18 6.469 -8.055 11.910 134 HG3 LYS 18 3HG LYS 18 4.782 -7.755 11.477 135 HD2 LYS 18 2HD LYS 18 4.262 -7.294 13.860 136 HD3 LYS 18 3HD LYS 18 5.955 -7.569 14.286 137 HE2 LYS 18 2HE LYS 18 5.483 -5.163 14.114 138 HE3 LYS 18 3HE LYS 18 6.613 -5.654 12.853 139 HZ1 LYS 18 3HZ LYS 18 4.772 -5.713 11.281 140 HZ2 LYS 18 1HZ LYS 18 4.918 -4.185 11.995 141 HZ3 LYS 18 2HZ LYS 18 3.698 -5.240 12.499 142 H HIS 19 H HIS 19 2.942 -11.634 11.320 143 HA HIS 19 HA HIS 19 3.766 -14.167 12.497 144 HB2 HIS 19 2HB HIS 19 1.079 -12.968 11.759 145 HB3 HIS 19 3HB HIS 19 1.229 -14.630 12.315 146 HD1 HIS 19 HD1 HIS 19 0.937 -14.920 14.747 147 HD2 HIS 19 HD2 HIS 19 2.222 -11.082 13.838 148 HE1 HIS 19 HE1 HIS 19 0.922 -13.677 16.922 149 HE2 HIS 19 HE2 HIS 19 1.499 -11.307 16.304 150 H ASP 20 H ASP 20 4.285 -13.270 9.502 151 HA ASP 20 HA ASP 20 4.846 -14.391 7.615 152 HB2 ASP 20 2HB ASP 20 5.557 -16.244 9.120 153 HB3 ASP 20 3HB ASP 20 3.931 -16.907 9.080 154 H ASN 21 H ASN 21 1.768 -13.958 8.609 155 HA ASN 21 HA ASN 21 0.317 -15.247 6.421 156 HB2 ASN 21 2HB ASN 21 -0.589 -13.451 8.723 157 HB3 ASN 21 3HB ASN 21 -1.684 -14.114 7.520 158 HD21 ASN 21 1HD2 ASN 21 -0.665 -16.728 7.305 159 HD22 ASN 21 2HD2 ASN 21 -0.910 -17.540 8.810 160 H ALA 22 H ALA 22 2.047 -13.757 5.133 161 HA ALA 22 HA ALA 22 1.617 -10.970 4.922 162 HB1 ALA 22 3HB ALA 22 3.746 -12.056 4.333 163 HB2 ALA 22 1HB ALA 22 3.134 -11.075 3.001 164 HB3 ALA 22 2HB ALA 22 2.975 -12.831 2.953 165 H SER 23 H SER 23 0.320 -13.712 3.014 166 HA SER 23 HA SER 23 -1.039 -12.194 1.068 167 HB2 SER 23 2HB SER 23 -0.693 -14.609 0.799 168 HB3 SER 23 3HB SER 23 -1.761 -14.935 2.157 169 HG SER 23 HG SER 23 -2.508 -13.699 -0.300 170 H ARG 24 H ARG 24 -2.012 -13.035 4.400 171 HA ARG 24 HA ARG 24 -4.717 -12.086 4.153 172 HB2 ARG 24 2HB ARG 24 -2.997 -12.468 6.646 173 HB3 ARG 24 3HB ARG 24 -4.735 -12.184 6.650 174 HG2 ARG 24 2HG ARG 24 -3.303 -14.623 5.564 175 HG3 ARG 24 3HG ARG 24 -4.274 -14.531 7.034 176 HD2 ARG 24 2HD ARG 24 -6.286 -14.095 5.708 177 HD3 ARG 24 3HD ARG 24 -5.335 -14.101 4.215 178 HE ARG 24 HE ARG 24 -5.282 -16.509 5.902 179 HH11 ARG 24 1HH1 ARG 24 -6.495 -14.991 2.965 180 HH12 ARG 24 2HH1 ARG 24 -6.947 -16.498 2.240 181 HH21 ARG 24 1HH2 ARG 24 -5.929 -18.469 4.953 182 HH22 ARG 24 2HH2 ARG 24 -6.670 -18.466 3.384 183 H ALA 25 H ALA 25 -1.620 -10.723 5.068 184 HA ALA 25 HA ALA 25 -2.450 -8.145 5.918 185 HB1 ALA 25 3HB ALA 25 -0.192 -9.038 6.355 186 HB2 ALA 25 1HB ALA 25 -0.108 -7.496 5.503 187 HB3 ALA 25 2HB ALA 25 0.164 -9.006 4.630 188 H LEU 26 H LEU 26 -1.611 -9.549 2.839 189 HA LEU 26 HA LEU 26 -1.548 -7.273 1.166 190 HB2 LEU 26 2HB LEU 26 -0.646 -9.630 0.686 191 HB3 LEU 26 3HB LEU 26 -2.302 -10.123 0.399 192 HG LEU 26 HG LEU 26 -2.362 -8.354 -1.474 193 HD11 LEU 26 1HD1 LEU 26 -0.218 -7.661 -2.424 194 HD12 LEU 26 2HD1 LEU 26 0.648 -8.421 -1.090 195 HD13 LEU 26 3HD1 LEU 26 -0.410 -7.041 -0.789 196 HD21 LEU 26 3HD2 LEU 26 -0.483 -10.722 -1.778 197 HD22 LEU 26 1HD2 LEU 26 -1.245 -9.836 -3.103 198 HD23 LEU 26 2HD2 LEU 26 -2.238 -10.747 -1.969 199 H ALA 27 H ALA 27 -3.996 -9.690 1.883 200 HA ALA 27 HA ALA 27 -6.162 -8.743 0.424 201 HB1 ALA 27 3HB ALA 27 -6.021 -10.997 1.405 202 HB2 ALA 27 1HB ALA 27 -7.525 -10.192 1.856 203 HB3 ALA 27 2HB ALA 27 -6.202 -10.312 3.019 204 H LEU 28 H LEU 28 -5.237 -7.974 3.829 205 HA LEU 28 HA LEU 28 -7.519 -6.366 4.373 206 HB2 LEU 28 2HB LEU 28 -4.811 -6.514 5.708 207 HB3 LEU 28 3HB LEU 28 -6.084 -5.448 6.290 208 HG LEU 28 HG LEU 28 -6.227 -8.485 6.160 209 HD11 LEU 28 1HD1 LEU 28 -6.031 -6.630 8.543 210 HD12 LEU 28 2HD1 LEU 28 -4.743 -7.659 7.912 211 HD13 LEU 28 3HD1 LEU 28 -6.194 -8.390 8.597 212 HD21 LEU 28 3HD2 LEU 28 -8.456 -7.531 5.754 213 HD22 LEU 28 1HD2 LEU 28 -8.314 -6.529 7.205 214 HD23 LEU 28 2HD2 LEU 28 -8.379 -8.288 7.341 215 H PHE 29 H PHE 29 -4.352 -5.576 3.057 216 HA PHE 29 HA PHE 29 -4.802 -2.752 2.954 217 HB2 PHE 29 2HB PHE 29 -2.880 -4.524 1.410 218 HB3 PHE 29 3HB PHE 29 -2.916 -2.776 1.253 219 HD1 PHE 29 HD2 PHE 29 -3.137 -1.819 4.010 220 HD2 PHE 29 HD1 PHE 29 -0.844 -5.079 2.460 221 HE1 PHE 29 HE2 PHE 29 -1.543 -1.601 5.872 222 HE2 PHE 29 HE1 PHE 29 0.747 -4.847 4.324 223 HZ PHE 29 HZ PHE 29 0.393 -3.107 6.038 224 H GLU 30 H GLU 30 -5.392 -5.432 0.632 225 HA GLU 30 HA GLU 30 -6.501 -3.825 -1.441 226 HB2 GLU 30 2HB GLU 30 -6.863 -6.781 -0.808 227 HB3 GLU 30 3HB GLU 30 -7.474 -6.013 -2.274 228 HG2 GLU 30 2HG GLU 30 -5.168 -5.422 -2.935 229 HG3 GLU 30 3HG GLU 30 -4.552 -6.160 -1.457 230 H GLU 31 H GLU 31 -7.802 -5.033 1.552 231 HA GLU 31 HA GLU 31 -10.605 -4.658 1.075 232 HB2 GLU 31 2HB GLU 31 -9.978 -6.153 2.861 233 HB3 GLU 31 3HB GLU 31 -8.851 -4.997 3.542 234 HG2 GLU 31 2HG GLU 31 -10.742 -5.217 5.010 235 HG3 GLU 31 3HG GLU 31 -10.737 -3.601 4.307 236 H LEU 32 H LEU 32 -7.977 -2.798 2.539 237 HA LEU 32 HA LEU 32 -9.294 -0.429 3.178 238 HB2 LEU 32 2HB LEU 32 -6.441 -1.109 2.482 239 HB3 LEU 32 3HB LEU 32 -6.885 0.571 2.695 240 HG LEU 32 HG LEU 32 -7.387 -1.487 4.866 241 HD11 LEU 32 1HD1 LEU 32 -4.978 -1.526 4.393 242 HD12 LEU 32 2HD1 LEU 32 -5.317 -0.792 5.958 243 HD13 LEU 32 3HD1 LEU 32 -4.906 0.230 4.578 244 HD21 LEU 32 3HD2 LEU 32 -8.643 0.632 5.000 245 HD22 LEU 32 1HD2 LEU 32 -7.124 1.538 4.965 246 HD23 LEU 32 2HD2 LEU 32 -7.493 0.461 6.318 247 H VAL 33 H VAL 33 -7.609 -1.323 0.097 248 HA VAL 33 HA VAL 33 -7.980 1.104 -1.243 249 HB VAL 33 HB VAL 33 -7.734 -1.680 -2.489 250 HG11 VAL 33 1HG1 VAL 33 -7.284 1.028 -3.808 251 HG12 VAL 33 2HG1 VAL 33 -8.607 -0.087 -4.149 252 HG13 VAL 33 3HG1 VAL 33 -6.952 -0.543 -4.545 253 HG21 VAL 33 3HG2 VAL 33 -5.583 0.392 -1.911 254 HG22 VAL 33 1HG2 VAL 33 -5.332 -1.141 -2.749 255 HG23 VAL 33 2HG2 VAL 33 -5.818 -1.131 -1.057 256 H GLU 34 H GLU 34 -9.980 -1.871 -1.450 257 HA GLU 34 HA GLU 34 -11.839 -0.892 -3.303 258 HB2 GLU 34 2HB GLU 34 -13.248 -2.826 -2.735 259 HB3 GLU 34 3HB GLU 34 -11.559 -3.298 -2.904 260 HG2 GLU 34 2HG GLU 34 -11.316 -3.376 -0.471 261 HG3 GLU 34 3HG GLU 34 -12.970 -2.818 -0.270 262 H THR 35 H THR 35 -12.014 -0.710 0.306 263 HA THR 35 HA THR 35 -14.764 0.357 0.132 264 HB THR 35 HB THR 35 -14.825 0.070 2.608 265 HG1 THR 35 HG1 THR 35 -12.481 -1.416 2.659 266 HG21 THR 35 3HG2 THR 35 -14.813 -2.365 2.672 267 HG22 THR 35 1HG2 THR 35 -13.832 -2.431 1.208 268 HG23 THR 35 2HG2 THR 35 -15.488 -1.824 1.136 269 H ASP 36 H ASP 36 -11.521 1.303 1.086 270 HA ASP 36 HA ASP 36 -12.358 4.066 1.739 271 HB2 ASP 36 2HB ASP 36 -10.460 2.305 3.368 272 HB3 ASP 36 3HB ASP 36 -10.567 4.051 3.570 273 HA PRO 37 HA PRO 37 -8.970 3.602 -1.508 274 HB2 PRO 37 2HB PRO 37 -10.423 5.687 -3.029 275 HB3 PRO 37 3HB PRO 37 -10.018 4.039 -3.514 276 HG2 PRO 37 2HG PRO 37 -12.569 4.793 -2.981 277 HG3 PRO 37 3HG PRO 37 -11.981 3.153 -2.619 278 HD2 PRO 37 2HD PRO 37 -12.293 5.509 -0.747 279 HD3 PRO 37 3HD PRO 37 -12.783 3.815 -0.514 280 H ASP 38 H ASP 38 -10.049 6.114 0.410 281 HA ASP 38 HA ASP 38 -8.331 8.265 -0.516 282 HB2 ASP 38 2HB ASP 38 -10.015 8.028 2.019 283 HB3 ASP 38 3HB ASP 38 -9.261 9.506 1.424 284 H TYR 39 H TYR 39 -8.199 5.681 1.834 285 HA TYR 39 HA TYR 39 -6.257 6.758 3.602 286 HB2 TYR 39 2HB TYR 39 -7.840 4.728 3.995 287 HB3 TYR 39 3HB TYR 39 -6.648 3.766 3.131 288 HD1 TYR 39 HD2 TYR 39 -4.404 3.363 4.165 289 HD2 TYR 39 HD1 TYR 39 -7.404 5.555 6.256 290 HE1 TYR 39 HE2 TYR 39 -3.159 3.065 6.250 291 HE2 TYR 39 HE1 TYR 39 -6.155 5.265 8.345 292 HH TYR 39 HH TYR 39 -2.951 4.140 8.434 293 H VAL 40 H VAL 40 -4.419 7.494 2.747 294 HA VAL 40 HA VAL 40 -3.129 6.542 0.399 295 HB VAL 40 HB VAL 40 -2.084 8.440 2.554 296 HG11 VAL 40 1HG1 VAL 40 -0.219 7.638 1.197 297 HG12 VAL 40 2HG1 VAL 40 -0.567 9.319 0.792 298 HG13 VAL 40 3HG1 VAL 40 -1.090 8.026 -0.289 299 HG21 VAL 40 3HG2 VAL 40 -4.203 9.225 1.560 300 HG22 VAL 40 1HG2 VAL 40 -3.516 9.073 -0.058 301 HG23 VAL 40 2HG2 VAL 40 -2.862 10.261 1.073 302 H GLY 41 H GLY 41 -2.604 5.956 3.834 303 HA2 GLY 41 2HA GLY 41 0.023 4.934 3.842 304 HA3 GLY 41 3HA GLY 41 -1.217 4.592 5.038 305 H THR 42 H THR 42 -3.012 3.423 3.070 306 HA THR 42 HA THR 42 -2.460 0.724 3.082 307 HB THR 42 HB THR 42 -4.053 2.319 1.023 308 HG1 THR 42 HG1 THR 42 -5.662 2.283 2.428 309 HG21 THR 42 3HG2 THR 42 -3.634 0.039 0.222 310 HG22 THR 42 1HG2 THR 42 -5.326 0.221 0.687 311 HG23 THR 42 2HG2 THR 42 -4.207 -0.627 1.752 312 H TYR 43 H TYR 43 -2.050 3.002 0.399 313 HA TYR 43 HA TYR 43 -1.442 1.064 -1.537 314 HB2 TYR 43 2HB TYR 43 -1.045 4.077 -1.564 315 HB3 TYR 43 3HB TYR 43 -0.870 3.048 -2.988 316 HD1 TYR 43 HD1 TYR 43 -2.841 1.929 -3.982 317 HD2 TYR 43 HD2 TYR 43 -3.292 4.569 -0.652 318 HE1 TYR 43 HE1 TYR 43 -5.253 2.043 -4.397 319 HE2 TYR 43 HE2 TYR 43 -5.712 4.681 -1.078 320 HH TYR 43 HH TYR 43 -7.249 4.355 -2.945 321 H TYR 44 H TYR 44 0.730 3.315 0.191 322 HA TYR 44 HA TYR 44 3.133 2.524 -0.872 323 HB2 TYR 44 2HB TYR 44 2.851 4.431 0.684 324 HB3 TYR 44 3HB TYR 44 2.575 3.311 2.018 325 HD1 TYR 44 HD1 TYR 44 5.161 3.290 -0.727 326 HD2 TYR 44 HD2 TYR 44 4.431 3.543 3.482 327 HE1 TYR 44 HE1 TYR 44 7.582 3.226 -0.294 328 HE2 TYR 44 HE2 TYR 44 6.845 3.498 3.900 329 HH TYR 44 HH TYR 44 8.881 2.825 2.867 330 H HIS 45 H HIS 45 1.687 1.204 2.124 331 HA HIS 45 HA HIS 45 3.654 -0.791 2.569 332 HB2 HIS 45 2HB HIS 45 0.832 -0.481 3.661 333 HB3 HIS 45 3HB HIS 45 1.934 -1.745 4.203 334 HD1 HIS 45 HD1 HIS 45 3.242 -1.148 6.206 335 HD2 HIS 45 HD2 HIS 45 2.175 2.232 4.041 336 HE1 HIS 45 HE1 HIS 45 4.083 0.805 7.539 337 HE2 HIS 45 HE2 HIS 45 3.501 2.832 6.173 338 H LEU 46 H LEU 46 0.659 -0.876 0.768 339 HA LEU 46 HA LEU 46 0.421 -3.699 0.441 340 HB2 LEU 46 2HB LEU 46 -1.518 -2.221 0.218 341 HB3 LEU 46 3HB LEU 46 -0.765 -1.372 -1.116 342 HG LEU 46 HG LEU 46 -1.024 -3.325 -2.576 343 HD11 LEU 46 1HD1 LEU 46 -0.706 -5.125 -0.944 344 HD12 LEU 46 2HD1 LEU 46 -2.167 -5.365 -1.896 345 HD13 LEU 46 3HD1 LEU 46 -2.284 -4.776 -0.240 346 HD21 LEU 46 3HD2 LEU 46 -3.467 -3.395 -2.748 347 HD22 LEU 46 1HD2 LEU 46 -2.908 -1.752 -2.439 348 HD23 LEU 46 2HD2 LEU 46 -3.622 -2.700 -1.132 349 H GLY 47 H GLY 47 1.805 -1.053 -1.474 350 HA2 GLY 47 2HA GLY 47 2.542 -2.580 -3.755 351 HA3 GLY 47 3HA GLY 47 3.142 -0.988 -3.312 352 H LYS 48 H LYS 48 4.248 -1.596 -0.795 353 HA LYS 48 HA LYS 48 6.838 -2.498 -1.384 354 HB2 LYS 48 2HB LYS 48 5.423 -2.412 1.321 355 HB3 LYS 48 3HB LYS 48 7.147 -2.685 1.120 356 HG2 LYS 48 2HG LYS 48 5.629 -0.144 0.461 357 HG3 LYS 48 3HG LYS 48 6.721 -0.400 1.819 358 HD2 LYS 48 2HD LYS 48 7.468 -0.334 -1.129 359 HD3 LYS 48 3HD LYS 48 7.814 0.910 0.069 360 HE2 LYS 48 2HE LYS 48 8.951 -1.892 0.044 361 HE3 LYS 48 3HE LYS 48 9.803 -0.434 -0.434 362 HZ1 LYS 48 3HZ LYS 48 10.351 -1.182 1.813 363 HZ2 LYS 48 1HZ LYS 48 8.744 -0.959 2.284 364 HZ3 LYS 48 2HZ LYS 48 9.673 0.367 1.805 365 H LEU 49 H LEU 49 4.027 -4.144 -0.050 366 HA LEU 49 HA LEU 49 5.282 -6.656 0.474 367 HB2 LEU 49 2HB LEU 49 3.306 -5.879 1.694 368 HB3 LEU 49 3HB LEU 49 2.358 -5.882 0.215 369 HG LEU 49 HG LEU 49 2.401 -8.317 0.108 370 HD11 LEU 49 1HD1 LEU 49 4.658 -8.783 0.919 371 HD12 LEU 49 2HD1 LEU 49 3.474 -9.714 1.829 372 HD13 LEU 49 3HD1 LEU 49 4.206 -8.281 2.554 373 HD21 LEU 49 3HD2 LEU 49 1.724 -7.381 2.915 374 HD22 LEU 49 1HD2 LEU 49 1.133 -8.848 2.134 375 HD23 LEU 49 2HD2 LEU 49 0.671 -7.273 1.500 376 H TYR 50 H TYR 50 3.368 -5.371 -2.264 377 HA TYR 50 HA TYR 50 3.282 -7.648 -3.885 378 HB2 TYR 50 2HB TYR 50 3.357 -4.694 -4.567 379 HB3 TYR 50 3HB TYR 50 3.400 -5.890 -5.856 380 HD1 TYR 50 HD1 TYR 50 1.495 -7.936 -5.000 381 HD2 TYR 50 HD2 TYR 50 1.213 -3.687 -4.647 382 HE1 TYR 50 HE1 TYR 50 -0.954 -8.097 -5.019 383 HE2 TYR 50 HE2 TYR 50 -1.233 -3.858 -4.655 384 HH TYR 50 HH TYR 50 -2.885 -6.774 -4.212 385 H GLU 51 H GLU 51 5.875 -5.202 -3.644 386 HA GLU 51 HA GLU 51 7.652 -6.164 -5.583 387 HB2 GLU 51 2HB GLU 51 8.331 -4.847 -2.920 388 HB3 GLU 51 3HB GLU 51 9.425 -4.984 -4.294 389 HG2 GLU 51 2HG GLU 51 7.989 -3.529 -5.622 390 HG3 GLU 51 3HG GLU 51 6.808 -3.462 -4.315 391 H ARG 52 H ARG 52 7.172 -7.179 -2.240 392 HA ARG 52 HA ARG 52 9.361 -8.974 -1.969 393 HB2 ARG 52 2HB ARG 52 6.685 -8.931 -0.514 394 HB3 ARG 52 3HB ARG 52 8.093 -9.863 -0.008 395 HG2 ARG 52 2HG ARG 52 9.345 -7.757 0.358 396 HG3 ARG 52 3HG ARG 52 7.920 -6.834 -0.136 397 HD2 ARG 52 2HD ARG 52 8.091 -6.931 2.314 398 HD3 ARG 52 3HD ARG 52 6.643 -7.781 1.758 399 HE ARG 52 HE ARG 52 9.013 -9.429 2.146 400 HH11 ARG 52 1HH1 ARG 52 6.029 -8.277 3.617 401 HH12 ARG 52 2HH1 ARG 52 5.987 -9.557 4.784 402 HH21 ARG 52 1HH2 ARG 52 8.934 -11.080 3.669 403 HH22 ARG 52 2HH2 ARG 52 7.639 -11.134 4.826 404 H LEU 53 H LEU 53 6.044 -9.371 -3.121 405 HA LEU 53 HA LEU 53 6.290 -12.266 -3.449 406 HB2 LEU 53 2HB LEU 53 4.020 -10.382 -4.184 407 HB3 LEU 53 3HB LEU 53 3.926 -12.136 -4.117 408 HG LEU 53 HG LEU 53 4.383 -10.311 -1.720 409 HD11 LEU 53 1HD1 LEU 53 2.119 -10.061 -2.579 410 HD12 LEU 53 2HD1 LEU 53 2.111 -10.888 -1.025 411 HD13 LEU 53 3HD1 LEU 53 1.871 -11.809 -2.512 412 HD21 LEU 53 3HD2 LEU 53 3.975 -13.321 -1.785 413 HD22 LEU 53 1HD2 LEU 53 4.059 -12.321 -0.332 414 HD23 LEU 53 2HD2 LEU 53 5.468 -12.477 -1.374 415 H ASP 54 H ASP 54 7.908 -10.245 -5.159 416 HA ASP 54 HA ASP 54 8.686 -9.955 -7.267 417 HB2 ASP 54 2HB ASP 54 7.263 -12.602 -7.754 418 HB3 ASP 54 3HB ASP 54 8.285 -11.834 -8.965 419 H ARG 55 H ARG 55 5.811 -9.198 -6.518 420 HA ARG 55 HA ARG 55 4.496 -8.872 -9.131 421 HB2 ARG 55 2HB ARG 55 3.454 -8.256 -6.326 422 HB3 ARG 55 3HB ARG 55 2.510 -8.216 -7.810 423 HG2 ARG 55 2HG ARG 55 3.702 -10.676 -6.485 424 HG3 ARG 55 3HG ARG 55 1.996 -10.221 -6.532 425 HD2 ARG 55 2HD ARG 55 3.728 -11.014 -8.894 426 HD3 ARG 55 3HD ARG 55 2.441 -11.984 -8.169 427 HE ARG 55 HE ARG 55 1.720 -9.357 -9.243 428 HH11 ARG 55 1HH1 ARG 55 1.659 -12.834 -9.769 429 HH12 ARG 55 2HH1 ARG 55 0.454 -12.734 -11.010 430 HH21 ARG 55 1HH2 ARG 55 0.171 -9.239 -10.844 431 HH22 ARG 55 2HH2 ARG 55 -0.386 -10.691 -11.618 432 H THR 56 H THR 56 6.732 -7.463 -9.047 433 HA THR 56 HA THR 56 6.796 -4.959 -7.772 434 HB THR 56 HB THR 56 8.248 -5.592 -10.377 435 HG1 THR 56 HG1 THR 56 9.278 -7.154 -9.416 436 HG21 THR 56 3HG2 THR 56 9.083 -4.033 -7.899 437 HG22 THR 56 1HG2 THR 56 8.585 -3.328 -9.439 438 HG23 THR 56 2HG2 THR 56 10.071 -4.275 -9.343 439 H ASP 57 H ASP 57 5.558 -5.993 -10.901 440 HA ASP 57 HA ASP 57 5.014 -3.492 -12.102 441 HB2 ASP 57 2HB ASP 57 4.994 -5.509 -13.436 442 HB3 ASP 57 3HB ASP 57 3.774 -6.252 -12.408 443 H ASP 58 H ASP 58 3.058 -5.658 -10.105 444 HA ASP 58 HA ASP 58 0.635 -4.204 -10.056 445 HB2 ASP 58 2HB ASP 58 1.739 -6.124 -7.946 446 HB3 ASP 58 3HB ASP 58 0.053 -5.624 -8.098 447 H ALA 59 H ALA 59 3.542 -4.125 -8.077 448 HA ALA 59 HA ALA 59 2.763 -2.365 -6.041 449 HB1 ALA 59 3HB ALA 59 4.865 -3.655 -5.955 450 HB2 ALA 59 1HB ALA 59 5.165 -1.932 -5.715 451 HB3 ALA 59 2HB ALA 59 5.526 -2.684 -7.271 452 H ILE 60 H ILE 60 4.244 -1.701 -9.242 453 HA ILE 60 HA ILE 60 4.595 1.079 -9.106 454 HB ILE 60 HB ILE 60 3.746 -0.429 -11.634 455 HG12 ILE 60 2HG1 ILE 60 5.665 -1.613 -10.700 456 HG13 ILE 60 3HG1 ILE 60 6.183 -0.730 -12.127 457 HG21 ILE 60 1HG2 ILE 60 5.318 2.157 -11.325 458 HG22 ILE 60 2HG2 ILE 60 3.666 1.994 -11.919 459 HG23 ILE 60 3HG2 ILE 60 5.005 1.331 -12.855 460 HD11 ILE 60 3HD1 ILE 60 6.649 0.071 -9.260 461 HD12 ILE 60 1HD1 ILE 60 7.153 1.000 -10.676 462 HD13 ILE 60 2HD1 ILE 60 7.829 -0.600 -10.380 463 H ASP 61 H ASP 61 1.827 -0.816 -10.142 464 HA ASP 61 HA ASP 61 0.107 1.271 -10.986 465 HB2 ASP 61 2HB ASP 61 -0.077 -1.085 -11.751 466 HB3 ASP 61 3HB ASP 61 -0.508 -1.591 -10.122 467 H THR 62 H THR 62 0.411 -0.524 -7.933 468 HA THR 62 HA THR 62 -1.826 0.606 -6.589 469 HB THR 62 HB THR 62 0.682 -0.696 -5.424 470 HG1 THR 62 HG1 THR 62 -0.725 -1.959 -6.890 471 HG21 THR 62 3HG2 THR 62 -2.028 -0.250 -4.119 472 HG22 THR 62 1HG2 THR 62 -0.538 0.598 -3.698 473 HG23 THR 62 2HG2 THR 62 -0.676 -1.135 -3.415 474 H TYR 63 H TYR 63 1.616 1.457 -6.646 475 HA TYR 63 HA TYR 63 1.552 3.641 -4.855 476 HB2 TYR 63 2HB TYR 63 3.450 3.141 -7.180 477 HB3 TYR 63 3HB TYR 63 3.684 4.389 -5.959 478 HD1 TYR 63 HD1 TYR 63 3.045 2.931 -3.441 479 HD2 TYR 63 HD2 TYR 63 5.243 1.646 -6.866 480 HE1 TYR 63 HE1 TYR 63 4.329 1.376 -2.048 481 HE2 TYR 63 HE2 TYR 63 6.515 0.088 -5.471 482 HH TYR 63 HH TYR 63 7.122 -0.239 -3.203 483 H ALA 64 H ALA 64 1.063 3.447 -8.373 484 HA ALA 64 HA ALA 64 0.808 6.176 -8.975 485 HB1 ALA 64 3HB ALA 64 1.044 4.424 -10.685 486 HB2 ALA 64 1HB ALA 64 -0.364 5.442 -11.002 487 HB3 ALA 64 2HB ALA 64 -0.574 3.831 -10.308 488 H GLN 65 H GLN 65 -1.692 3.788 -8.108 489 HA GLN 65 HA GLN 65 -3.958 5.471 -8.081 490 HB2 GLN 65 2HB GLN 65 -3.469 2.746 -7.661 491 HB3 GLN 65 3HB GLN 65 -3.951 3.265 -6.059 492 HG2 GLN 65 2HG GLN 65 -5.692 3.971 -8.410 493 HG3 GLN 65 3HG GLN 65 -5.704 2.324 -7.804 494 HE21 GLN 65 1HE2 GLN 65 -5.506 5.257 -5.778 495 HE22 GLN 65 2HE2 GLN 65 -7.032 5.040 -5.031 496 H GLY 66 H GLY 66 -1.592 4.597 -5.643 497 HA2 GLY 66 2HA GLY 66 -2.469 6.028 -3.426 498 HA3 GLY 66 3HA GLY 66 -0.804 5.591 -3.771 499 H ILE 67 H ILE 67 -0.409 7.100 -6.118 500 HA ILE 67 HA ILE 67 0.475 9.557 -5.094 501 HB ILE 67 HB ILE 67 0.123 8.519 -7.934 502 HG12 ILE 67 2HG1 ILE 67 2.643 9.175 -6.329 503 HG13 ILE 67 3HG1 ILE 67 1.971 7.566 -6.562 504 HG21 ILE 67 1HG2 ILE 67 1.332 10.475 -8.844 505 HG22 ILE 67 2HG2 ILE 67 1.264 11.254 -7.265 506 HG23 ILE 67 3HG2 ILE 67 -0.226 10.930 -8.155 507 HD11 ILE 67 3HD1 ILE 67 3.884 7.974 -7.996 508 HD12 ILE 67 1HD1 ILE 67 3.067 9.342 -8.745 509 HD13 ILE 67 2HD1 ILE 67 2.430 7.708 -8.955 510 H GLU 68 H GLU 68 -2.404 8.714 -6.960 511 HA GLU 68 HA GLU 68 -3.380 11.310 -7.480 512 HB2 GLU 68 2HB GLU 68 -4.902 8.686 -7.246 513 HB3 GLU 68 3HB GLU 68 -5.496 10.150 -8.034 514 HG2 GLU 68 2HG GLU 68 -3.750 9.977 -9.733 515 HG3 GLU 68 3HG GLU 68 -3.046 8.588 -8.913 516 H VAL 69 H VAL 69 -4.057 8.972 -4.903 517 HA VAL 69 HA VAL 69 -5.902 10.763 -3.534 518 HB VAL 69 HB VAL 69 -6.219 9.015 -1.880 519 HG11 VAL 69 1HG1 VAL 69 -7.474 8.814 -3.981 520 HG12 VAL 69 2HG1 VAL 69 -7.110 7.218 -3.330 521 HG13 VAL 69 3HG1 VAL 69 -6.180 7.845 -4.691 522 HG21 VAL 69 3HG2 VAL 69 -3.983 7.455 -3.239 523 HG22 VAL 69 1HG2 VAL 69 -5.022 6.852 -1.942 524 HG23 VAL 69 2HG2 VAL 69 -3.912 8.189 -1.635 525 H ALA 70 H ALA 70 -2.518 10.216 -3.485 526 HA ALA 70 HA ALA 70 -1.946 11.013 -0.773 527 HB1 ALA 70 3HB ALA 70 -0.086 10.972 -3.168 528 HB2 ALA 70 1HB ALA 70 -0.353 9.646 -2.042 529 HB3 ALA 70 2HB ALA 70 0.407 11.132 -1.478 530 H ARG 71 H ARG 71 -1.903 12.631 -3.918 531 HA ARG 71 HA ARG 71 -1.092 15.179 -2.864 532 HB2 ARG 71 2HB ARG 71 -1.466 16.031 -5.142 533 HB3 ARG 71 3HB ARG 71 -0.500 14.561 -5.134 534 HG2 ARG 71 2HG ARG 71 -2.599 13.282 -5.715 535 HG3 ARG 71 3HG ARG 71 -3.410 14.837 -5.926 536 HD2 ARG 71 2HD ARG 71 -1.058 13.754 -7.508 537 HD3 ARG 71 3HD ARG 71 -2.697 14.040 -8.097 538 HE ARG 71 HE ARG 71 -0.608 16.024 -7.600 539 HH11 ARG 71 1HH1 ARG 71 -3.985 15.519 -8.414 540 HH12 ARG 71 2HH1 ARG 71 -4.151 17.072 -9.161 541 HH21 ARG 71 1HH2 ARG 71 -0.837 18.048 -8.563 542 HH22 ARG 71 2HH2 ARG 71 -2.360 18.509 -9.257 543 H GLU 72 H GLU 72 -4.237 13.647 -3.385 544 HA GLU 72 HA GLU 72 -5.698 16.148 -3.006 545 HB2 GLU 72 2HB GLU 72 -6.766 13.298 -3.170 546 HB3 GLU 72 3HB GLU 72 -7.732 14.767 -3.220 547 HG2 GLU 72 2HG GLU 72 -5.793 13.762 -5.315 548 HG3 GLU 72 3HG GLU 72 -7.543 13.863 -5.448 549 H GLU 73 H GLU 73 -5.437 13.040 -1.246 550 HA GLU 73 HA GLU 73 -6.813 14.084 1.100 551 HB2 GLU 73 2HB GLU 73 -5.773 11.300 0.428 552 HB3 GLU 73 3HB GLU 73 -6.639 11.692 1.910 553 HG2 GLU 73 2HG GLU 73 -7.753 11.965 -0.898 554 HG3 GLU 73 3HG GLU 73 -8.078 10.628 0.202 555 H GLY 74 H GLY 74 -3.552 12.683 0.375 556 HA2 GLY 74 2HA GLY 74 -2.760 12.929 3.187 557 HA3 GLY 74 3HA GLY 74 -1.844 12.191 1.880 558 H THR 75 H THR 75 -0.164 13.556 3.167 559 HA THR 75 HA THR 75 -0.057 16.356 2.244 560 HB THR 75 HB THR 75 1.876 16.622 3.741 561 HG1 THR 75 HG1 THR 75 1.526 13.872 4.340 562 HG21 THR 75 3HG2 THR 75 0.809 16.216 5.919 563 HG22 THR 75 1HG2 THR 75 -0.378 15.157 5.148 564 HG23 THR 75 2HG2 THR 75 -0.354 16.883 4.774 565 H GLN 76 H GLN 76 2.291 17.047 1.600 566 HA GLN 76 HA GLN 76 2.980 15.856 -0.851 567 HB2 GLN 76 2HB GLN 76 3.459 18.220 -0.379 568 HB3 GLN 76 3HB GLN 76 4.568 17.776 0.908 569 HG2 GLN 76 2HG GLN 76 5.775 18.492 -1.106 570 HG3 GLN 76 3HG GLN 76 6.127 16.804 -0.727 571 HE21 GLN 76 1HE2 GLN 76 6.687 16.214 -2.817 572 HE22 GLN 76 2HE2 GLN 76 5.567 16.169 -4.126 573 H LYS 77 H LYS 77 4.150 15.329 2.397 574 HA LYS 77 HA LYS 77 6.479 13.854 1.996 575 HB2 LYS 77 2HB LYS 77 5.737 14.641 4.199 576 HB3 LYS 77 3HB LYS 77 4.327 13.589 4.136 577 HG2 LYS 77 2HG LYS 77 5.785 11.604 4.256 578 HG3 LYS 77 3HG LYS 77 7.215 12.642 4.274 579 HD2 LYS 77 2HD LYS 77 6.472 13.626 6.423 580 HD3 LYS 77 3HD LYS 77 5.028 12.611 6.392 581 HE2 LYS 77 2HE LYS 77 6.449 10.596 6.522 582 HE3 LYS 77 3HE LYS 77 7.891 11.612 6.550 583 HZ1 LYS 77 3HZ LYS 77 5.743 11.595 8.595 584 HZ2 LYS 77 1HZ LYS 77 7.128 12.558 8.625 585 HZ3 LYS 77 2HZ LYS 77 7.264 10.882 8.755 586 H ASP 78 H ASP 78 3.110 12.739 2.238 587 HA ASP 78 HA ASP 78 3.501 9.965 1.868 588 HB2 ASP 78 2HB ASP 78 1.060 11.701 1.268 589 HB3 ASP 78 3HB ASP 78 1.052 9.940 1.308 590 H LEU 79 H LEU 79 2.662 12.559 -0.376 591 HA LEU 79 HA LEU 79 2.387 11.126 -2.748 592 HB2 LEU 79 2HB LEU 79 1.714 13.488 -2.451 593 HB3 LEU 79 3HB LEU 79 3.402 13.964 -2.327 594 HG LEU 79 HG LEU 79 3.743 13.230 -4.713 595 HD11 LEU 79 1HD1 LEU 79 1.965 11.568 -4.882 596 HD12 LEU 79 2HD1 LEU 79 1.799 12.786 -6.138 597 HD13 LEU 79 3HD1 LEU 79 0.739 12.831 -4.728 598 HD21 LEU 79 3HD2 LEU 79 3.324 15.590 -4.233 599 HD22 LEU 79 1HD2 LEU 79 1.579 15.323 -4.304 600 HD23 LEU 79 2HD2 LEU 79 2.568 15.133 -5.754 601 H SER 80 H SER 80 5.284 12.519 -1.243 602 HA SER 80 HA SER 80 7.091 12.046 -3.374 603 HB2 SER 80 2HB SER 80 7.574 12.582 -0.416 604 HB3 SER 80 3HB SER 80 8.832 12.587 -1.656 605 HG SER 80 HG SER 80 6.533 14.232 -1.764 606 H GLU 81 H GLU 81 6.069 10.096 -0.597 607 HA GLU 81 HA GLU 81 8.123 8.128 -0.728 608 HB2 GLU 81 2HB GLU 81 5.293 7.866 0.397 609 HB3 GLU 81 3HB GLU 81 6.598 6.712 0.669 610 HG2 GLU 81 2HG GLU 81 6.402 9.560 1.671 611 HG3 GLU 81 3HG GLU 81 6.410 8.075 2.621 612 H LEU 82 H LEU 82 4.851 8.274 -2.041 613 HA LEU 82 HA LEU 82 4.813 5.666 -3.193 614 HB2 LEU 82 2HB LEU 82 3.113 8.144 -3.604 615 HB3 LEU 82 3HB LEU 82 2.743 6.597 -4.358 616 HG LEU 82 HG LEU 82 3.068 6.772 -1.345 617 HD11 LEU 82 1HD1 LEU 82 0.501 7.328 -2.828 618 HD12 LEU 82 2HD1 LEU 82 1.432 8.484 -1.876 619 HD13 LEU 82 3HD1 LEU 82 0.668 7.107 -1.086 620 HD21 LEU 82 3HD2 LEU 82 1.468 4.905 -3.126 621 HD22 LEU 82 1HD2 LEU 82 1.589 4.817 -1.366 622 HD23 LEU 82 2HD2 LEU 82 3.015 4.539 -2.358 623 H GLN 83 H GLN 83 5.573 8.879 -4.487 624 HA GLN 83 HA GLN 83 5.930 8.161 -7.219 625 HB2 GLN 83 2HB GLN 83 7.053 10.446 -5.544 626 HB3 GLN 83 3HB GLN 83 7.354 10.299 -7.272 627 HG2 GLN 83 2HG GLN 83 5.010 10.583 -7.774 628 HG3 GLN 83 3HG GLN 83 4.584 10.506 -6.067 629 HE21 GLN 83 1HE2 GLN 83 6.727 12.237 -5.139 630 HE22 GLN 83 2HE2 GLN 83 6.346 13.836 -5.664 631 H ASP 84 H ASP 84 8.201 8.493 -4.486 632 HA ASP 84 HA ASP 84 10.600 7.826 -5.812 633 HB2 ASP 84 2HB ASP 84 10.624 8.919 -3.620 634 HB3 ASP 84 3HB ASP 84 9.822 7.540 -2.876 635 H ALA 85 H ALA 85 8.198 5.864 -4.135 636 HA ALA 85 HA ALA 85 9.670 3.490 -3.909 637 HB1 ALA 85 3HB ALA 85 7.716 4.024 -2.499 638 HB2 ALA 85 1HB ALA 85 7.519 2.462 -3.295 639 HB3 ALA 85 2HB ALA 85 6.658 3.879 -3.904 640 H LYS 86 H LYS 86 7.213 4.497 -6.303 641 HA LYS 86 HA LYS 86 7.319 2.066 -7.788 642 HB2 LYS 86 2HB LYS 86 6.063 3.262 -9.546 643 HB3 LYS 86 3HB LYS 86 5.350 3.452 -7.952 644 HG2 LYS 86 2HG LYS 86 6.178 5.714 -7.765 645 HG3 LYS 86 3HG LYS 86 7.110 5.548 -9.254 646 HD2 LYS 86 2HD LYS 86 4.076 5.462 -9.048 647 HD3 LYS 86 3HD LYS 86 5.031 6.847 -9.583 648 HE2 LYS 86 2HE LYS 86 5.930 5.407 -11.445 649 HE3 LYS 86 3HE LYS 86 4.776 4.158 -10.965 650 HZ1 LYS 86 3HZ LYS 86 3.944 5.515 -12.764 651 HZ2 LYS 86 1HZ LYS 86 4.088 6.911 -11.821 652 HZ3 LYS 86 2HZ LYS 86 2.988 5.705 -11.386 653 H LEU 87 H LEU 87 9.148 5.165 -8.166 654 HA LEU 87 HA LEU 87 10.107 4.478 -10.775 655 HB2 LEU 87 2HB LEU 87 11.663 6.399 -10.562 656 HB3 LEU 87 3HB LEU 87 9.991 6.795 -10.248 657 HG LEU 87 HG LEU 87 10.660 6.663 -7.718 658 HD11 LEU 87 1HD1 LEU 87 13.429 7.076 -8.881 659 HD12 LEU 87 2HD1 LEU 87 12.885 5.693 -7.928 660 HD13 LEU 87 3HD1 LEU 87 12.969 7.287 -7.188 661 HD21 LEU 87 3HD2 LEU 87 9.981 8.734 -8.791 662 HD22 LEU 87 1HD2 LEU 87 11.600 8.963 -9.459 663 HD23 LEU 87 2HD2 LEU 87 11.339 9.043 -7.713 664 H LYS 88 H LYS 88 11.462 4.073 -7.511 665 HA LYS 88 HA LYS 88 13.883 2.852 -8.476 666 HB2 LYS 88 2HB LYS 88 14.479 2.440 -6.193 667 HB3 LYS 88 3HB LYS 88 13.786 4.051 -6.306 668 HG2 LYS 88 2HG LYS 88 11.785 3.400 -5.191 669 HG3 LYS 88 3HG LYS 88 12.176 1.683 -5.345 670 HD2 LYS 88 2HD LYS 88 14.105 1.966 -3.842 671 HD3 LYS 88 3HD LYS 88 13.761 3.692 -3.682 672 HE2 LYS 88 2HE LYS 88 11.876 1.467 -2.835 673 HE3 LYS 88 3HE LYS 88 12.963 2.324 -1.739 674 HZ1 LYS 88 3HZ LYS 88 11.803 4.301 -2.023 675 HZ2 LYS 88 1HZ LYS 88 10.596 3.131 -1.880 676 HZ3 LYS 88 2HZ LYS 88 10.993 3.759 -3.397 677 H ALA 89 H ALA 89 10.723 1.597 -7.407 678 HA ALA 89 HA ALA 89 11.289 -1.130 -7.463 679 HB1 ALA 89 3HB ALA 89 9.173 -0.230 -6.623 680 HB2 ALA 89 1HB ALA 89 8.879 -1.472 -7.839 681 HB3 ALA 89 2HB ALA 89 8.700 0.234 -8.254 682 H GLU 90 H GLU 90 10.590 1.080 -10.136 683 HA GLU 90 HA GLU 90 10.560 -0.826 -12.233 684 HB2 GLU 90 2HB GLU 90 11.294 2.127 -12.238 685 HB3 GLU 90 3HB GLU 90 11.155 1.163 -13.702 686 HG2 GLU 90 2HG GLU 90 8.860 1.503 -11.749 687 HG3 GLU 90 3HG GLU 90 9.153 2.619 -13.075 688 H GLY 91 H GLY 91 13.190 0.652 -10.421 689 HA2 GLY 91 2HA GLY 91 15.343 -0.356 -12.004 690 HA3 GLY 91 3HA GLY 91 15.417 0.243 -10.358 691 H LEU 92 H LEU 92 13.396 -1.747 -9.355 692 HA LEU 92 HA LEU 92 15.063 -3.848 -8.517 693 HB2 LEU 92 2HB LEU 92 12.023 -3.799 -8.720 694 HB3 LEU 92 3HB LEU 92 12.910 -5.110 -7.959 695 HG LEU 92 HG LEU 92 12.881 -2.219 -6.997 696 HD11 LEU 92 1HD1 LEU 92 11.555 -3.063 -5.104 697 HD12 LEU 92 2HD1 LEU 92 11.518 -4.669 -5.837 698 HD13 LEU 92 3HD1 LEU 92 10.727 -3.313 -6.640 699 HD21 LEU 92 3HD2 LEU 92 15.025 -3.307 -6.470 700 HD22 LEU 92 1HD2 LEU 92 14.176 -4.666 -5.723 701 HD23 LEU 92 2HD2 LEU 92 14.075 -3.054 -5.009 702 H GLU 93 H GLU 93 12.652 -3.791 -11.109 703 HA GLU 93 HA GLU 93 14.268 -5.742 -12.611 704 HB2 GLU 93 2HB GLU 93 12.126 -6.663 -13.586 705 HB3 GLU 93 3HB GLU 93 12.398 -7.071 -11.897 706 HG2 GLU 93 2HG GLU 93 10.756 -5.440 -11.168 707 HG3 GLU 93 3HG GLU 93 10.570 -4.825 -12.811 708 H HIS 94 H HIS 94 15.222 -4.251 -13.878 709 HA HIS 94 HA HIS 94 13.824 -2.106 -15.204 710 HB2 HIS 94 2HB HIS 94 16.239 -1.927 -14.635 711 HB3 HIS 94 3HB HIS 94 16.600 -3.272 -15.711 712 HD1 HIS 94 HD1 HIS 94 14.747 0.049 -16.163 713 HD2 HIS 94 HD2 HIS 94 17.642 -2.284 -18.000 714 HE1 HIS 94 HE1 HIS 94 15.440 1.324 -18.205 715 HE2 HIS 94 HE2 HIS 94 17.342 -0.004 -19.170 716 H HIS 95 H HIS 95 12.102 -3.334 -16.078 717 HA HIS 95 HA HIS 95 12.652 -4.785 -18.578 718 HB2 HIS 95 2HB HIS 95 12.398 -6.472 -16.728 719 HB3 HIS 95 3HB HIS 95 10.805 -5.821 -16.362 720 HD1 HIS 95 HD1 HIS 95 12.648 -7.522 -19.216 721 HD2 HIS 95 HD2 HIS 95 8.779 -7.018 -17.795 722 HE1 HIS 95 HE1 HIS 95 11.206 -8.992 -20.646 723 HE2 HIS 95 HE2 HIS 95 8.910 -8.809 -19.646 724 H HIS 96 H HIS 96 11.180 -4.368 -20.139 725 HA HIS 96 HA HIS 96 9.296 -2.235 -19.884 726 HB2 HIS 96 2HB HIS 96 9.790 -4.252 -22.122 727 HB3 HIS 96 3HB HIS 96 8.698 -2.876 -22.258 728 HD1 HIS 96 HD1 HIS 96 12.227 -3.817 -22.651 729 HD2 HIS 96 HD2 HIS 96 10.043 -0.331 -22.180 730 HE1 HIS 96 HE1 HIS 96 13.760 -1.962 -23.349 731 HE2 HIS 96 HE2 HIS 96 12.398 0.138 -23.107 732 H HIS 97 H HIS 97 7.126 -2.298 -19.558 733 HA HIS 97 HA HIS 97 5.779 -4.761 -18.852 734 HB2 HIS 97 2HB HIS 97 4.759 -1.899 -19.081 735 HB3 HIS 97 3HB HIS 97 3.779 -3.249 -18.522 736 HD1 HIS 97 HD1 HIS 97 4.380 -0.788 -16.704 737 HD2 HIS 97 HD2 HIS 97 6.522 -4.350 -16.639 738 HE1 HIS 97 HE1 HIS 97 5.426 -0.909 -14.419 739 HE2 HIS 97 HE2 HIS 97 6.667 -3.099 -14.383 740 H HIS 98 H HIS 98 6.364 -3.107 -21.762 741 HA HIS 98 HA HIS 98 5.061 -5.272 -23.203 742 HB2 HIS 98 2HB HIS 98 3.927 -3.852 -24.838 743 HB3 HIS 98 3HB HIS 98 3.343 -3.419 -23.240 744 HD1 HIS 98 HD1 HIS 98 4.236 -1.111 -22.253 745 HD2 HIS 98 HD2 HIS 98 5.073 -1.753 -26.268 746 HE1 HIS 98 HE1 HIS 98 4.912 1.123 -23.164 747 HE2 HIS 98 HE2 HIS 98 5.308 0.733 -25.621 748 H HIS 99 H HIS 99 6.461 -5.993 -24.781 749 HA HIS 99 HA HIS 99 9.015 -4.786 -25.149 750 HB2 HIS 99 2HB HIS 99 8.789 -7.210 -25.393 751 HB3 HIS 99 3HB HIS 99 7.651 -7.022 -26.724 752 HD1 HIS 99 HD1 HIS 99 11.315 -6.358 -25.928 753 HD2 HIS 99 HD2 HIS 99 8.849 -6.882 -29.218 754 HE1 HIS 99 HE1 HIS 99 12.851 -6.503 -27.897 755 HE2 HIS 99 HE2 HIS 99 11.307 -6.551 -29.884 Start of MODEL 16 1 H1 GLU 1 1H GLU 1 -11.180 -0.391 18.644 2 H2 GLU 1 2H GLU 1 -12.570 0.452 19.104 3 H3 GLU 1 3H GLU 1 -11.125 1.287 18.849 4 HA GLU 1 HA GLU 1 -12.715 1.563 17.060 5 HB2 GLU 1 2HB GLU 1 -11.149 1.194 15.208 6 HB3 GLU 1 3HB GLU 1 -10.299 1.833 16.604 7 HG2 GLU 1 2HG GLU 1 -10.292 -1.082 15.748 8 HG3 GLU 1 3HG GLU 1 -9.037 0.081 15.348 9 H ASP 2 H ASP 2 -14.070 0.690 15.547 10 HA ASP 2 HA ASP 2 -15.048 -1.992 15.827 11 HB2 ASP 2 2HB ASP 2 -16.493 -0.029 15.179 12 HB3 ASP 2 3HB ASP 2 -15.622 0.099 13.658 13 HA PRO 3 HA PRO 3 -12.299 -4.351 13.068 14 HB2 PRO 3 2HB PRO 3 -14.963 -5.331 11.986 15 HB3 PRO 3 3HB PRO 3 -13.483 -6.249 12.324 16 HG2 PRO 3 2HG PRO 3 -15.481 -6.261 14.084 17 HG3 PRO 3 3HG PRO 3 -13.798 -6.165 14.647 18 HD2 PRO 3 2HD PRO 3 -15.895 -4.027 14.580 19 HD3 PRO 3 3HD PRO 3 -14.521 -4.226 15.688 20 H GLU 4 H GLU 4 -15.072 -2.651 11.584 21 HA GLU 4 HA GLU 4 -13.979 -2.811 8.914 22 HB2 GLU 4 2HB GLU 4 -16.400 -1.305 9.963 23 HB3 GLU 4 3HB GLU 4 -15.948 -1.398 8.262 24 HG2 GLU 4 2HG GLU 4 -16.829 -3.677 10.052 25 HG3 GLU 4 3HG GLU 4 -17.711 -2.983 8.694 26 H ASP 5 H ASP 5 -13.562 -0.572 11.518 27 HA ASP 5 HA ASP 5 -12.908 1.785 10.165 28 HB2 ASP 5 2HB ASP 5 -11.825 0.603 12.747 29 HB3 ASP 5 3HB ASP 5 -11.135 2.088 12.107 30 HA PRO 6 HA PRO 6 -9.580 0.672 7.498 31 HB2 PRO 6 2HB PRO 6 -8.121 3.055 7.455 32 HB3 PRO 6 3HB PRO 6 -9.593 2.761 6.520 33 HG2 PRO 6 2HG PRO 6 -9.284 4.142 9.185 34 HG3 PRO 6 3HG PRO 6 -10.249 4.637 7.774 35 HD2 PRO 6 2HD PRO 6 -11.417 3.456 9.868 36 HD3 PRO 6 3HD PRO 6 -11.926 3.045 8.213 37 H PHE 7 H PHE 7 -8.630 2.360 10.487 38 HA PHE 7 HA PHE 7 -5.915 1.624 10.536 39 HB2 PHE 7 2HB PHE 7 -6.693 3.473 11.890 40 HB3 PHE 7 3HB PHE 7 -7.821 2.440 12.758 41 HD1 PHE 7 HD1 PHE 7 -4.126 2.859 12.144 42 HD2 PHE 7 HD2 PHE 7 -7.172 1.566 14.864 43 HE1 PHE 7 HE1 PHE 7 -2.423 2.476 13.881 44 HE2 PHE 7 HE2 PHE 7 -5.461 1.193 16.590 45 HZ PHE 7 HZ PHE 7 -3.089 1.646 16.103 46 H THR 8 H THR 8 -8.816 -0.053 11.773 47 HA THR 8 HA THR 8 -7.612 -1.901 13.462 48 HB THR 8 HB THR 8 -10.078 -2.562 11.796 49 HG1 THR 8 HG1 THR 8 -11.169 -1.080 12.830 50 HG21 THR 8 3HG2 THR 8 -10.829 -3.675 13.872 51 HG22 THR 8 1HG2 THR 8 -9.349 -3.172 14.695 52 HG23 THR 8 2HG2 THR 8 -9.271 -4.325 13.360 53 H ARG 9 H ARG 9 -8.644 -2.434 10.069 54 HA ARG 9 HA ARG 9 -7.351 -4.995 9.875 55 HB2 ARG 9 2HB ARG 9 -8.035 -4.961 7.484 56 HB3 ARG 9 3HB ARG 9 -9.359 -4.719 8.608 57 HG2 ARG 9 2HG ARG 9 -8.338 -2.126 7.800 58 HG3 ARG 9 3HG ARG 9 -8.626 -3.101 6.366 59 HD2 ARG 9 2HD ARG 9 -10.665 -2.427 8.522 60 HD3 ARG 9 3HD ARG 9 -10.600 -1.767 6.886 61 HE ARG 9 HE ARG 9 -10.857 -4.657 7.061 62 HH11 ARG 9 1HH1 ARG 9 -12.595 -1.630 6.592 63 HH12 ARG 9 2HH1 ARG 9 -14.040 -2.427 6.060 64 HH21 ARG 9 1HH2 ARG 9 -12.755 -5.651 6.380 65 HH22 ARG 9 2HH2 ARG 9 -14.141 -4.695 5.955 66 H TYR 10 H TYR 10 -6.403 -1.724 9.156 67 HA TYR 10 HA TYR 10 -4.148 -2.165 7.496 68 HB2 TYR 10 2HB TYR 10 -5.114 0.052 7.704 69 HB3 TYR 10 3HB TYR 10 -4.870 0.065 9.441 70 HD1 TYR 10 HD1 TYR 10 -3.017 0.096 6.182 71 HD2 TYR 10 HD2 TYR 10 -2.879 1.009 10.360 72 HE1 TYR 10 HE1 TYR 10 -0.875 1.258 5.870 73 HE2 TYR 10 HE2 TYR 10 -0.739 2.163 10.041 74 HH TYR 10 HH TYR 10 0.417 3.043 7.019 75 H ALA 11 H ALA 11 -4.391 -1.692 11.010 76 HA ALA 11 HA ALA 11 -1.631 -2.156 11.590 77 HB1 ALA 11 3HB ALA 11 -3.033 -0.723 13.029 78 HB2 ALA 11 1HB ALA 11 -2.333 -2.056 13.955 79 HB3 ALA 11 2HB ALA 11 -4.029 -2.113 13.466 80 H LEU 12 H LEU 12 -4.554 -4.133 11.601 81 HA LEU 12 HA LEU 12 -3.514 -6.493 12.783 82 HB2 LEU 12 2HB LEU 12 -5.935 -6.014 12.492 83 HB3 LEU 12 3HB LEU 12 -5.756 -6.161 10.753 84 HG LEU 12 HG LEU 12 -5.210 -8.575 11.010 85 HD11 LEU 12 1HD1 LEU 12 -5.729 -8.165 13.971 86 HD12 LEU 12 2HD1 LEU 12 -4.184 -8.572 13.222 87 HD13 LEU 12 3HD1 LEU 12 -5.516 -9.720 13.166 88 HD21 LEU 12 3HD2 LEU 12 -7.474 -9.338 11.634 89 HD22 LEU 12 1HD2 LEU 12 -7.532 -7.916 10.595 90 HD23 LEU 12 2HD2 LEU 12 -7.826 -7.755 12.327 91 H ALA 13 H ALA 13 -3.611 -5.295 9.448 92 HA ALA 13 HA ALA 13 -2.533 -7.553 8.121 93 HB1 ALA 13 3HB ALA 13 -3.679 -5.730 6.918 94 HB2 ALA 13 1HB ALA 13 -2.065 -6.011 6.264 95 HB3 ALA 13 2HB ALA 13 -2.363 -4.630 7.320 96 H GLN 14 H GLN 14 -1.036 -4.648 9.513 97 HA GLN 14 HA GLN 14 1.660 -5.263 8.952 98 HB2 GLN 14 2HB GLN 14 0.406 -3.558 11.134 99 HB3 GLN 14 3HB GLN 14 2.144 -3.630 10.836 100 HG2 GLN 14 2HG GLN 14 1.832 -2.740 8.583 101 HG3 GLN 14 3HG GLN 14 0.081 -2.739 8.797 102 HE21 GLN 14 1HE2 GLN 14 1.963 -0.524 8.225 103 HE22 GLN 14 2HE2 GLN 14 1.675 0.654 9.452 104 H GLU 15 H GLU 15 -0.409 -6.201 11.694 105 HA GLU 15 HA GLU 15 1.563 -7.542 13.240 106 HB2 GLU 15 2HB GLU 15 -1.459 -7.839 13.066 107 HB3 GLU 15 3HB GLU 15 -0.495 -8.839 14.151 108 HG2 GLU 15 2HG GLU 15 -0.651 -5.810 14.224 109 HG3 GLU 15 3HG GLU 15 -1.519 -6.915 15.294 110 H HIS 16 H HIS 16 -0.603 -8.631 10.643 111 HA HIS 16 HA HIS 16 0.086 -11.342 10.537 112 HB2 HIS 16 2HB HIS 16 -0.781 -9.500 8.275 113 HB3 HIS 16 3HB HIS 16 -0.662 -11.250 8.128 114 HD1 HIS 16 HD1 HIS 16 -2.015 -11.805 10.983 115 HD2 HIS 16 HD2 HIS 16 -3.522 -9.432 7.938 116 HE1 HIS 16 HE1 HIS 16 -4.486 -11.740 11.344 117 HE2 HIS 16 HE2 HIS 16 -5.389 -10.466 9.389 118 H LEU 17 H LEU 17 1.589 -8.546 8.897 119 HA LEU 17 HA LEU 17 3.541 -9.849 7.394 120 HB2 LEU 17 2HB LEU 17 3.523 -7.113 8.712 121 HB3 LEU 17 3HB LEU 17 4.813 -7.625 7.632 122 HG LEU 17 HG LEU 17 1.886 -7.458 6.813 123 HD11 LEU 17 1HD1 LEU 17 2.713 -5.219 7.335 124 HD12 LEU 17 2HD1 LEU 17 2.447 -5.409 5.606 125 HD13 LEU 17 3HD1 LEU 17 4.088 -5.456 6.255 126 HD21 LEU 17 3HD2 LEU 17 2.748 -7.667 4.520 127 HD22 LEU 17 1HD2 LEU 17 3.173 -9.072 5.495 128 HD23 LEU 17 2HD2 LEU 17 4.391 -7.843 5.139 129 H LYS 18 H LYS 18 3.624 -8.758 10.753 130 HA LYS 18 HA LYS 18 6.323 -9.510 11.317 131 HB2 LYS 18 2HB LYS 18 3.967 -9.023 13.187 132 HB3 LYS 18 3HB LYS 18 5.646 -9.161 13.700 133 HG2 LYS 18 2HG LYS 18 6.213 -7.129 12.436 134 HG3 LYS 18 3HG LYS 18 4.559 -7.022 11.850 135 HD2 LYS 18 2HD LYS 18 4.681 -5.431 13.597 136 HD3 LYS 18 3HD LYS 18 3.840 -6.809 14.308 137 HE2 LYS 18 2HE LYS 18 6.806 -6.243 14.667 138 HE3 LYS 18 3HE LYS 18 5.560 -5.748 15.806 139 HZ1 LYS 18 3HZ LYS 18 4.992 -8.101 16.098 140 HZ2 LYS 18 1HZ LYS 18 6.593 -7.762 16.531 141 HZ3 LYS 18 2HZ LYS 18 6.262 -8.532 15.071 142 H HIS 19 H HIS 19 3.205 -11.135 11.549 143 HA HIS 19 HA HIS 19 4.238 -13.534 12.836 144 HB2 HIS 19 2HB HIS 19 1.512 -12.854 11.689 145 HB3 HIS 19 3HB HIS 19 1.884 -14.385 12.474 146 HD1 HIS 19 HD1 HIS 19 -0.149 -11.978 13.352 147 HD2 HIS 19 HD2 HIS 19 3.437 -13.082 15.137 148 HE1 HIS 19 HE1 HIS 19 -0.319 -11.211 15.733 149 HE2 HIS 19 HE2 HIS 19 1.798 -12.021 16.824 150 H ASP 20 H ASP 20 4.657 -12.464 9.813 151 HA ASP 20 HA ASP 20 5.580 -13.381 7.985 152 HB2 ASP 20 2HB ASP 20 6.476 -15.192 9.462 153 HB3 ASP 20 3HB ASP 20 5.013 -16.127 9.176 154 H ASN 21 H ASN 21 2.430 -13.579 8.835 155 HA ASN 21 HA ASN 21 1.266 -14.943 6.563 156 HB2 ASN 21 2HB ASN 21 -0.017 -13.142 8.677 157 HB3 ASN 21 3HB ASN 21 -0.892 -14.150 7.524 158 HD21 ASN 21 1HD2 ASN 21 -1.038 -16.357 7.913 159 HD22 ASN 21 2HD2 ASN 21 -0.527 -17.082 9.389 160 H ALA 22 H ALA 22 2.760 -13.432 5.190 161 HA ALA 22 HA ALA 22 2.072 -10.723 4.703 162 HB1 ALA 22 3HB ALA 22 4.242 -11.667 4.047 163 HB2 ALA 22 1HB ALA 22 3.423 -10.960 2.654 164 HB3 ALA 22 2HB ALA 22 3.450 -12.711 2.868 165 H SER 23 H SER 23 0.978 -13.768 3.315 166 HA SER 23 HA SER 23 -0.652 -12.937 1.232 167 HB2 SER 23 2HB SER 23 -1.850 -15.135 1.647 168 HB3 SER 23 3HB SER 23 -0.097 -15.268 1.563 169 HG SER 23 HG SER 23 -1.588 -16.133 3.481 170 H ARG 24 H ARG 24 -1.477 -13.313 4.695 171 HA ARG 24 HA ARG 24 -4.236 -12.622 4.454 172 HB2 ARG 24 2HB ARG 24 -2.353 -12.679 6.857 173 HB3 ARG 24 3HB ARG 24 -4.095 -12.444 6.978 174 HG2 ARG 24 2HG ARG 24 -2.765 -14.921 5.827 175 HG3 ARG 24 3HG ARG 24 -3.366 -14.770 7.482 176 HD2 ARG 24 2HD ARG 24 -5.645 -14.393 6.624 177 HD3 ARG 24 3HD ARG 24 -5.050 -14.539 4.967 178 HE ARG 24 HE ARG 24 -4.563 -16.808 6.737 179 HH11 ARG 24 1HH1 ARG 24 -6.584 -15.475 4.191 180 HH12 ARG 24 2HH1 ARG 24 -7.290 -17.010 3.783 181 HH21 ARG 24 1HH2 ARG 24 -5.534 -18.810 6.222 182 HH22 ARG 24 2HH2 ARG 24 -6.708 -18.893 4.945 183 H ALA 25 H ALA 25 -1.282 -10.885 5.256 184 HA ALA 25 HA ALA 25 -2.341 -8.369 5.969 185 HB1 ALA 25 3HB ALA 25 -0.061 -7.537 5.528 186 HB2 ALA 25 1HB ALA 25 0.341 -9.056 4.712 187 HB3 ALA 25 2HB ALA 25 -0.026 -9.047 6.439 188 H LEU 26 H LEU 26 -1.473 -9.834 2.913 189 HA LEU 26 HA LEU 26 -1.429 -7.555 1.237 190 HB2 LEU 26 2HB LEU 26 -0.445 -9.845 0.714 191 HB3 LEU 26 3HB LEU 26 -2.076 -10.425 0.437 192 HG LEU 26 HG LEU 26 -2.282 -8.695 -1.426 193 HD11 LEU 26 1HD1 LEU 26 0.709 -8.391 -1.003 194 HD12 LEU 26 2HD1 LEU 26 -0.519 -7.157 -0.717 195 HD13 LEU 26 3HD1 LEU 26 -0.223 -7.734 -2.349 196 HD21 LEU 26 3HD2 LEU 26 -1.845 -11.060 -1.934 197 HD22 LEU 26 1HD2 LEU 26 -0.109 -10.793 -1.761 198 HD23 LEU 26 2HD2 LEU 26 -1.000 -10.009 -3.068 199 H ALA 27 H ALA 27 -3.867 -10.048 1.815 200 HA ALA 27 HA ALA 27 -5.973 -9.081 0.285 201 HB1 ALA 27 3HB ALA 27 -5.895 -11.343 1.224 202 HB2 ALA 27 1HB ALA 27 -7.405 -10.540 1.651 203 HB3 ALA 27 2HB ALA 27 -6.117 -10.693 2.850 204 H LEU 28 H LEU 28 -5.214 -8.329 3.739 205 HA LEU 28 HA LEU 28 -7.542 -6.771 4.200 206 HB2 LEU 28 2HB LEU 28 -4.877 -6.723 5.642 207 HB3 LEU 28 3HB LEU 28 -6.303 -5.851 6.187 208 HG LEU 28 HG LEU 28 -5.921 -8.866 6.073 209 HD11 LEU 28 1HD1 LEU 28 -6.441 -6.991 8.397 210 HD12 LEU 28 2HD1 LEU 28 -4.909 -7.773 8.004 211 HD13 LEU 28 3HD1 LEU 28 -6.289 -8.749 8.498 212 HD21 LEU 28 3HD2 LEU 28 -8.205 -8.425 5.334 213 HD22 LEU 28 1HD2 LEU 28 -8.484 -7.364 6.718 214 HD23 LEU 28 2HD2 LEU 28 -8.217 -9.091 6.962 215 H PHE 29 H PHE 29 -4.295 -5.856 3.092 216 HA PHE 29 HA PHE 29 -4.757 -3.042 3.045 217 HB2 PHE 29 2HB PHE 29 -2.740 -4.780 1.581 218 HB3 PHE 29 3HB PHE 29 -2.783 -3.033 1.411 219 HD1 PHE 29 HD2 PHE 29 -3.151 -2.051 4.143 220 HD2 PHE 29 HD1 PHE 29 -0.755 -5.310 2.741 221 HE1 PHE 29 HE2 PHE 29 -1.652 -1.795 6.075 222 HE2 PHE 29 HE1 PHE 29 0.742 -5.039 4.677 223 HZ PHE 29 HZ PHE 29 0.295 -3.285 6.348 224 H GLU 30 H GLU 30 -5.082 -5.603 0.566 225 HA GLU 30 HA GLU 30 -5.957 -4.011 -1.576 226 HB2 GLU 30 2HB GLU 30 -6.582 -6.903 -0.902 227 HB3 GLU 30 3HB GLU 30 -7.061 -6.135 -2.415 228 HG2 GLU 30 2HG GLU 30 -4.691 -5.723 -2.961 229 HG3 GLU 30 3HG GLU 30 -4.213 -6.489 -1.446 230 H GLU 31 H GLU 31 -7.705 -5.374 1.166 231 HA GLU 31 HA GLU 31 -10.367 -4.862 0.377 232 HB2 GLU 31 2HB GLU 31 -9.905 -6.377 2.234 233 HB3 GLU 31 3HB GLU 31 -9.072 -5.117 3.132 234 HG2 GLU 31 2HG GLU 31 -11.234 -5.494 4.131 235 HG3 GLU 31 3HG GLU 31 -11.222 -3.899 3.391 236 H LEU 32 H LEU 32 -7.987 -3.015 2.242 237 HA LEU 32 HA LEU 32 -9.471 -0.766 2.926 238 HB2 LEU 32 2HB LEU 32 -6.523 -1.200 2.440 239 HB3 LEU 32 3HB LEU 32 -7.123 0.385 2.899 240 HG LEU 32 HG LEU 32 -7.577 -2.110 4.578 241 HD11 LEU 32 1HD1 LEU 32 -5.795 -1.321 6.060 242 HD12 LEU 32 2HD1 LEU 32 -5.422 -0.007 4.945 243 HD13 LEU 32 3HD1 LEU 32 -5.163 -1.683 4.455 244 HD21 LEU 32 3HD2 LEU 32 -8.152 -0.488 6.338 245 HD22 LEU 32 1HD2 LEU 32 -9.219 -0.335 4.944 246 HD23 LEU 32 2HD2 LEU 32 -7.926 0.843 5.201 247 H VAL 33 H VAL 33 -7.504 -1.324 -0.012 248 HA VAL 33 HA VAL 33 -7.835 1.201 -1.218 249 HB VAL 33 HB VAL 33 -7.294 -1.524 -2.495 250 HG11 VAL 33 1HG1 VAL 33 -7.016 1.231 -3.774 251 HG12 VAL 33 2HG1 VAL 33 -8.166 -0.023 -4.235 252 HG13 VAL 33 3HG1 VAL 33 -6.442 -0.283 -4.482 253 HG21 VAL 33 3HG2 VAL 33 -5.395 0.729 -1.728 254 HG22 VAL 33 1HG2 VAL 33 -4.934 -0.766 -2.550 255 HG23 VAL 33 2HG2 VAL 33 -5.561 -0.823 -0.903 256 H GLU 34 H GLU 34 -9.602 -1.864 -1.834 257 HA GLU 34 HA GLU 34 -11.309 -0.760 -3.792 258 HB2 GLU 34 2HB GLU 34 -12.564 -2.881 -3.676 259 HB3 GLU 34 3HB GLU 34 -10.826 -3.141 -3.765 260 HG2 GLU 34 2HG GLU 34 -10.780 -3.557 -1.319 261 HG3 GLU 34 3HG GLU 34 -12.528 -3.355 -1.265 262 H THR 35 H THR 35 -11.718 -0.981 -0.246 263 HA THR 35 HA THR 35 -14.525 -0.196 -0.434 264 HB THR 35 HB THR 35 -13.703 -1.910 1.271 265 HG1 THR 35 HG1 THR 35 -15.077 0.342 2.373 266 HG21 THR 35 3HG2 THR 35 -11.687 -0.709 2.116 267 HG22 THR 35 1HG2 THR 35 -12.808 -1.105 3.423 268 HG23 THR 35 2HG2 THR 35 -12.725 0.541 2.799 269 H ASP 36 H ASP 36 -11.418 1.235 0.258 270 HA ASP 36 HA ASP 36 -12.635 3.915 0.361 271 HB2 ASP 36 2HB ASP 36 -12.179 3.090 2.752 272 HB3 ASP 36 3HB ASP 36 -10.468 3.086 2.348 273 HA PRO 37 HA PRO 37 -9.144 3.559 -2.605 274 HB2 PRO 37 2HB PRO 37 -10.147 5.041 -4.618 275 HB3 PRO 37 3HB PRO 37 -10.826 3.452 -4.231 276 HG2 PRO 37 2HG PRO 37 -11.861 6.181 -3.510 277 HG3 PRO 37 3HG PRO 37 -12.755 4.756 -4.075 278 HD2 PRO 37 2HD PRO 37 -12.518 5.527 -1.399 279 HD3 PRO 37 3HD PRO 37 -12.925 3.883 -1.943 280 H ASP 38 H ASP 38 -9.614 5.954 -0.469 281 HA ASP 38 HA ASP 38 -7.459 7.582 -1.676 282 HB2 ASP 38 2HB ASP 38 -8.393 9.640 -0.741 283 HB3 ASP 38 3HB ASP 38 -9.550 8.869 -1.811 284 H TYR 39 H TYR 39 -8.331 5.637 0.956 285 HA TYR 39 HA TYR 39 -6.737 6.796 2.982 286 HB2 TYR 39 2HB TYR 39 -8.382 4.901 3.340 287 HB3 TYR 39 3HB TYR 39 -7.238 3.808 2.571 288 HD1 TYR 39 HD1 TYR 39 -6.691 6.547 5.120 289 HD2 TYR 39 HD2 TYR 39 -6.455 2.360 4.296 290 HE1 TYR 39 HE1 TYR 39 -5.626 6.171 7.302 291 HE2 TYR 39 HE2 TYR 39 -5.384 1.993 6.477 292 HH TYR 39 HH TYR 39 -5.315 4.353 8.917 293 H VAL 40 H VAL 40 -4.786 7.511 2.370 294 HA VAL 40 HA VAL 40 -3.200 6.497 0.262 295 HB VAL 40 HB VAL 40 -2.300 8.379 2.499 296 HG11 VAL 40 1HG1 VAL 40 -1.278 8.071 -0.348 297 HG12 VAL 40 2HG1 VAL 40 -0.443 7.581 1.128 298 HG13 VAL 40 3HG1 VAL 40 -0.739 9.289 0.811 299 HG21 VAL 40 3HG2 VAL 40 -4.394 9.209 1.519 300 HG22 VAL 40 1HG2 VAL 40 -3.698 9.117 -0.102 301 HG23 VAL 40 2HG2 VAL 40 -3.043 10.252 1.081 302 H GLY 41 H GLY 41 -3.105 6.023 3.737 303 HA2 GLY 41 2HA GLY 41 -0.462 5.186 4.149 304 HA3 GLY 41 3HA GLY 41 -1.838 4.792 5.166 305 H THR 42 H THR 42 -3.313 3.381 3.176 306 HA THR 42 HA THR 42 -2.377 0.765 3.322 307 HB THR 42 HB THR 42 -4.212 1.983 1.211 308 HG1 THR 42 HG1 THR 42 -5.772 1.793 2.650 309 HG21 THR 42 3HG2 THR 42 -5.132 -0.306 1.024 310 HG22 THR 42 1HG2 THR 42 -3.905 -0.891 2.152 311 HG23 THR 42 2HG2 THR 42 -3.428 -0.261 0.575 312 H TYR 43 H TYR 43 -2.181 3.098 0.625 313 HA TYR 43 HA TYR 43 -1.432 1.295 -1.361 314 HB2 TYR 43 2HB TYR 43 -1.122 4.309 -1.167 315 HB3 TYR 43 3HB TYR 43 -0.728 3.405 -2.629 316 HD1 TYR 43 HD1 TYR 43 -2.571 1.996 -3.714 317 HD2 TYR 43 HD2 TYR 43 -3.431 4.972 -0.765 318 HE1 TYR 43 HE1 TYR 43 -4.889 2.085 -4.479 319 HE2 TYR 43 HE2 TYR 43 -5.766 5.049 -1.545 320 HH TYR 43 HH TYR 43 -6.983 4.530 -3.701 321 H TYR 44 H TYR 44 0.647 3.437 0.620 322 HA TYR 44 HA TYR 44 3.121 2.736 -0.299 323 HB2 TYR 44 2HB TYR 44 2.666 4.441 1.460 324 HB3 TYR 44 3HB TYR 44 2.305 3.162 2.613 325 HD1 TYR 44 HD1 TYR 44 5.111 3.991 0.218 326 HD2 TYR 44 HD2 TYR 44 4.041 2.780 4.179 327 HE1 TYR 44 HE1 TYR 44 7.483 3.954 0.847 328 HE2 TYR 44 HE2 TYR 44 6.417 2.749 4.807 329 HH TYR 44 HH TYR 44 8.824 4.170 2.933 330 H HIS 45 H HIS 45 1.608 1.143 2.532 331 HA HIS 45 HA HIS 45 3.589 -0.864 2.760 332 HB2 HIS 45 2HB HIS 45 0.797 -0.767 3.968 333 HB3 HIS 45 3HB HIS 45 2.041 -1.928 4.428 334 HD1 HIS 45 HD1 HIS 45 3.981 -1.080 5.885 335 HD2 HIS 45 HD2 HIS 45 1.269 1.877 4.870 336 HE1 HIS 45 HE1 HIS 45 4.528 0.864 7.368 337 HE2 HIS 45 HE2 HIS 45 2.938 2.685 6.652 338 H LEU 46 H LEU 46 0.583 -0.871 0.988 339 HA LEU 46 HA LEU 46 0.403 -3.685 0.493 340 HB2 LEU 46 2HB LEU 46 -1.582 -2.236 0.339 341 HB3 LEU 46 3HB LEU 46 -0.842 -1.312 -0.959 342 HG LEU 46 HG LEU 46 -1.004 -3.227 -2.485 343 HD11 LEU 46 1HD1 LEU 46 -2.107 -5.323 -1.899 344 HD12 LEU 46 2HD1 LEU 46 -2.271 -4.803 -0.223 345 HD13 LEU 46 3HD1 LEU 46 -0.668 -5.081 -0.910 346 HD21 LEU 46 3HD2 LEU 46 -3.641 -2.714 -1.079 347 HD22 LEU 46 1HD2 LEU 46 -3.446 -3.391 -2.700 348 HD23 LEU 46 2HD2 LEU 46 -2.934 -1.738 -2.371 349 H GLY 47 H GLY 47 1.737 -0.886 -1.251 350 HA2 GLY 47 2HA GLY 47 2.487 -2.282 -3.632 351 HA3 GLY 47 3HA GLY 47 3.003 -0.680 -3.130 352 H LYS 48 H LYS 48 4.151 -1.341 -0.634 353 HA LYS 48 HA LYS 48 6.785 -2.084 -1.331 354 HB2 LYS 48 2HB LYS 48 5.516 -2.017 1.445 355 HB3 LYS 48 3HB LYS 48 7.244 -2.127 1.131 356 HG2 LYS 48 2HG LYS 48 5.465 0.223 0.433 357 HG3 LYS 48 3HG LYS 48 6.539 0.135 1.819 358 HD2 LYS 48 2HD LYS 48 7.504 0.011 -1.067 359 HD3 LYS 48 3HD LYS 48 7.361 1.510 -0.151 360 HE2 LYS 48 2HE LYS 48 9.657 0.836 -0.060 361 HE3 LYS 48 3HE LYS 48 8.969 0.545 1.535 362 HZ1 LYS 48 3HZ LYS 48 10.409 -1.252 0.699 363 HZ2 LYS 48 1HZ LYS 48 9.298 -1.544 -0.543 364 HZ3 LYS 48 2HZ LYS 48 8.843 -1.776 1.067 365 H LEU 49 H LEU 49 4.056 -3.822 -0.002 366 HA LEU 49 HA LEU 49 5.403 -6.280 0.571 367 HB2 LEU 49 2HB LEU 49 3.297 -5.598 1.678 368 HB3 LEU 49 3HB LEU 49 2.444 -5.714 0.147 369 HG LEU 49 HG LEU 49 2.705 -8.141 0.106 370 HD11 LEU 49 1HD1 LEU 49 4.946 -8.356 1.067 371 HD12 LEU 49 2HD1 LEU 49 3.807 -9.392 1.911 372 HD13 LEU 49 3HD1 LEU 49 4.337 -7.886 2.658 373 HD21 LEU 49 3HD2 LEU 49 0.800 -7.242 1.389 374 HD22 LEU 49 1HD2 LEU 49 1.779 -7.231 2.863 375 HD23 LEU 49 2HD2 LEU 49 1.367 -8.761 2.076 376 H TYR 50 H TYR 50 3.528 -5.049 -2.200 377 HA TYR 50 HA TYR 50 3.585 -7.326 -3.854 378 HB2 TYR 50 2HB TYR 50 3.436 -4.355 -4.443 379 HB3 TYR 50 3HB TYR 50 3.540 -5.508 -5.766 380 HD1 TYR 50 HD2 TYR 50 1.780 -7.705 -4.783 381 HD2 TYR 50 HD1 TYR 50 1.233 -3.468 -4.637 382 HE1 TYR 50 HE2 TYR 50 -0.647 -8.016 -4.804 383 HE2 TYR 50 HE1 TYR 50 -1.204 -3.792 -4.672 384 HH TYR 50 HH TYR 50 -2.823 -5.499 -5.414 385 H GLU 51 H GLU 51 5.973 -4.715 -3.440 386 HA GLU 51 HA GLU 51 7.821 -5.469 -5.425 387 HB2 GLU 51 2HB GLU 51 8.369 -4.129 -2.751 388 HB3 GLU 51 3HB GLU 51 9.491 -4.180 -4.109 389 HG2 GLU 51 2HG GLU 51 8.015 -2.807 -5.447 390 HG3 GLU 51 3HG GLU 51 6.766 -2.869 -4.205 391 H ARG 52 H ARG 52 7.448 -6.524 -2.048 392 HA ARG 52 HA ARG 52 9.791 -8.149 -1.916 393 HB2 ARG 52 2HB ARG 52 7.239 -8.320 -0.258 394 HB3 ARG 52 3HB ARG 52 8.741 -9.170 0.102 395 HG2 ARG 52 2HG ARG 52 9.828 -6.831 0.219 396 HG3 ARG 52 3HG ARG 52 8.180 -6.204 0.251 397 HD2 ARG 52 2HD ARG 52 9.018 -6.402 2.528 398 HD3 ARG 52 3HD ARG 52 7.726 -7.583 2.280 399 HE ARG 52 HE ARG 52 9.878 -9.054 1.693 400 HH11 ARG 52 1HH1 ARG 52 9.307 -6.992 4.483 401 HH12 ARG 52 2HH1 ARG 52 10.372 -7.903 5.503 402 HH21 ARG 52 1HH2 ARG 52 11.270 -10.207 3.050 403 HH22 ARG 52 2HH2 ARG 52 11.459 -9.719 4.706 404 H LEU 53 H LEU 53 6.475 -8.746 -2.930 405 HA LEU 53 HA LEU 53 6.831 -11.639 -3.182 406 HB2 LEU 53 2HB LEU 53 4.452 -9.862 -3.856 407 HB3 LEU 53 3HB LEU 53 4.435 -11.619 -3.827 408 HG LEU 53 HG LEU 53 4.826 -9.806 -1.410 409 HD11 LEU 53 1HD1 LEU 53 2.523 -9.761 -2.218 410 HD12 LEU 53 2HD1 LEU 53 2.626 -10.603 -0.676 411 HD13 LEU 53 3HD1 LEU 53 2.448 -11.526 -2.170 412 HD21 LEU 53 3HD2 LEU 53 4.713 -11.860 -0.047 413 HD22 LEU 53 1HD2 LEU 53 6.112 -11.866 -1.114 414 HD23 LEU 53 2HD2 LEU 53 4.697 -12.841 -1.509 415 H ASP 54 H ASP 54 8.075 -9.350 -4.997 416 HA ASP 54 HA ASP 54 8.712 -8.983 -7.119 417 HB2 ASP 54 2HB ASP 54 9.525 -11.330 -6.843 418 HB3 ASP 54 3HB ASP 54 8.017 -11.921 -7.530 419 H ARG 55 H ARG 55 5.768 -8.837 -6.389 420 HA ARG 55 HA ARG 55 4.406 -8.893 -8.984 421 HB2 ARG 55 2HB ARG 55 3.451 -8.202 -6.162 422 HB3 ARG 55 3HB ARG 55 2.410 -8.228 -7.583 423 HG2 ARG 55 2HG ARG 55 3.893 -10.637 -6.466 424 HG3 ARG 55 3HG ARG 55 2.191 -10.266 -6.180 425 HD2 ARG 55 2HD ARG 55 3.465 -10.891 -8.867 426 HD3 ARG 55 3HD ARG 55 2.410 -11.958 -7.932 427 HE ARG 55 HE ARG 55 1.287 -9.373 -8.642 428 HH11 ARG 55 1HH1 ARG 55 1.448 -12.774 -9.515 429 HH12 ARG 55 2HH1 ARG 55 0.065 -12.676 -10.552 430 HH21 ARG 55 1HH2 ARG 55 -0.493 -9.262 -9.985 431 HH22 ARG 55 2HH2 ARG 55 -1.047 -10.684 -10.817 432 H THR 56 H THR 56 6.337 -7.257 -9.354 433 HA THR 56 HA THR 56 6.254 -4.623 -8.350 434 HB THR 56 HB THR 56 7.495 -5.625 -10.946 435 HG1 THR 56 HG1 THR 56 9.396 -5.249 -9.288 436 HG21 THR 56 3HG2 THR 56 7.297 -3.171 -10.989 437 HG22 THR 56 1HG2 THR 56 8.982 -3.641 -10.774 438 HG23 THR 56 2HG2 THR 56 8.044 -3.064 -9.394 439 H ASP 57 H ASP 57 4.703 -6.081 -11.206 440 HA ASP 57 HA ASP 57 3.833 -3.754 -12.547 441 HB2 ASP 57 2HB ASP 57 2.656 -6.558 -12.378 442 HB3 ASP 57 3HB ASP 57 1.925 -5.307 -13.376 443 H ASP 58 H ASP 58 2.407 -5.619 -9.946 444 HA ASP 58 HA ASP 58 -0.048 -4.178 -9.697 445 HB2 ASP 58 2HB ASP 58 1.366 -5.927 -7.631 446 HB3 ASP 58 3HB ASP 58 -0.339 -5.472 -7.626 447 H ALA 59 H ALA 59 3.150 -4.039 -8.184 448 HA ALA 59 HA ALA 59 2.649 -2.233 -6.087 449 HB1 ALA 59 3HB ALA 59 5.080 -1.823 -6.061 450 HB2 ALA 59 1HB ALA 59 5.242 -2.607 -7.634 451 HB3 ALA 59 2HB ALA 59 4.736 -3.547 -6.228 452 H ILE 60 H ILE 60 3.864 -1.591 -9.406 453 HA ILE 60 HA ILE 60 4.103 1.201 -9.253 454 HB ILE 60 HB ILE 60 3.381 -0.336 -11.801 455 HG12 ILE 60 2HG1 ILE 60 5.308 -1.462 -10.800 456 HG13 ILE 60 3HG1 ILE 60 5.838 -0.569 -12.212 457 HG21 ILE 60 1HG2 ILE 60 4.882 2.289 -11.432 458 HG22 ILE 60 2HG2 ILE 60 3.250 2.098 -12.074 459 HG23 ILE 60 3HG2 ILE 60 4.628 1.465 -12.977 460 HD11 ILE 60 3HD1 ILE 60 7.440 -0.408 -10.419 461 HD12 ILE 60 1HD1 ILE 60 6.214 0.251 -9.337 462 HD13 ILE 60 2HD1 ILE 60 6.737 1.174 -10.748 463 H ASP 61 H ASP 61 1.366 -0.842 -10.155 464 HA ASP 61 HA ASP 61 -0.517 1.128 -10.906 465 HB2 ASP 61 2HB ASP 61 -0.908 -1.207 -11.455 466 HB3 ASP 61 3HB ASP 61 -0.854 -1.678 -9.763 467 H THR 62 H THR 62 0.148 -0.434 -7.788 468 HA THR 62 HA THR 62 -1.952 0.769 -6.301 469 HB THR 62 HB THR 62 0.623 -0.564 -5.341 470 HG1 THR 62 HG1 THR 62 -1.025 -1.777 -6.634 471 HG21 THR 62 3HG2 THR 62 -0.563 -0.951 -3.205 472 HG22 THR 62 1HG2 THR 62 -1.929 0.001 -3.779 473 HG23 THR 62 2HG2 THR 62 -0.365 0.775 -3.507 474 H TYR 63 H TYR 63 1.416 1.654 -6.865 475 HA TYR 63 HA TYR 63 1.471 3.857 -5.034 476 HB2 TYR 63 2HB TYR 63 3.297 3.125 -7.350 477 HB3 TYR 63 3HB TYR 63 3.585 4.497 -6.279 478 HD1 TYR 63 HD2 TYR 63 3.013 3.494 -3.623 479 HD2 TYR 63 HD1 TYR 63 4.938 1.498 -6.863 480 HE1 TYR 63 HE2 TYR 63 4.202 2.059 -2.035 481 HE2 TYR 63 HE1 TYR 63 6.123 0.070 -5.275 482 HH TYR 63 HH TYR 63 6.826 0.150 -2.970 483 H ALA 64 H ALA 64 0.963 3.537 -8.551 484 HA ALA 64 HA ALA 64 0.687 6.210 -9.267 485 HB1 ALA 64 3HB ALA 64 0.815 4.398 -10.913 486 HB2 ALA 64 1HB ALA 64 -0.620 5.387 -11.207 487 HB3 ALA 64 2HB ALA 64 -0.776 3.811 -10.425 488 H GLN 65 H GLN 65 -1.833 3.948 -8.164 489 HA GLN 65 HA GLN 65 -4.011 5.728 -7.984 490 HB2 GLN 65 2HB GLN 65 -3.357 3.151 -6.517 491 HB3 GLN 65 3HB GLN 65 -4.847 4.032 -6.201 492 HG2 GLN 65 2HG GLN 65 -4.158 3.216 -9.014 493 HG3 GLN 65 3HG GLN 65 -4.833 2.038 -7.896 494 HE21 GLN 65 1HE2 GLN 65 -5.807 5.476 -7.950 495 HE22 GLN 65 2HE2 GLN 65 -7.408 5.168 -8.500 496 H GLY 66 H GLY 66 -1.529 4.802 -5.672 497 HA2 GLY 66 2HA GLY 66 -2.344 6.183 -3.391 498 HA3 GLY 66 3HA GLY 66 -0.695 5.734 -3.779 499 H ILE 67 H ILE 67 -0.277 7.276 -6.059 500 HA ILE 67 HA ILE 67 0.625 9.697 -5.049 501 HB ILE 67 HB ILE 67 0.172 8.680 -7.882 502 HG12 ILE 67 2HG1 ILE 67 2.780 9.175 -6.355 503 HG13 ILE 67 3HG1 ILE 67 1.952 7.625 -6.420 504 HG21 ILE 67 1HG2 ILE 67 1.548 11.308 -7.193 505 HG22 ILE 67 2HG2 ILE 67 0.029 11.124 -8.068 506 HG23 ILE 67 3HG2 ILE 67 1.529 10.542 -8.785 507 HD11 ILE 67 3HD1 ILE 67 2.293 7.498 -8.799 508 HD12 ILE 67 1HD1 ILE 67 3.822 7.762 -7.964 509 HD13 ILE 67 2HD1 ILE 67 3.040 9.097 -8.807 510 H GLU 68 H GLU 68 -2.247 9.020 -7.021 511 HA GLU 68 HA GLU 68 -3.199 11.606 -7.483 512 HB2 GLU 68 2HB GLU 68 -4.839 9.067 -7.028 513 HB3 GLU 68 3HB GLU 68 -5.401 10.519 -7.857 514 HG2 GLU 68 2HG GLU 68 -3.797 10.154 -9.666 515 HG3 GLU 68 3HG GLU 68 -3.105 8.778 -8.811 516 H VAL 69 H VAL 69 -3.783 9.379 -4.830 517 HA VAL 69 HA VAL 69 -5.581 11.208 -3.451 518 HB VAL 69 HB VAL 69 -6.058 9.398 -1.928 519 HG11 VAL 69 1HG1 VAL 69 -5.977 8.416 -4.816 520 HG12 VAL 69 2HG1 VAL 69 -7.239 9.412 -4.087 521 HG13 VAL 69 3HG1 VAL 69 -6.996 7.759 -3.533 522 HG21 VAL 69 3HG2 VAL 69 -5.018 7.170 -2.102 523 HG22 VAL 69 1HG2 VAL 69 -3.818 8.393 -1.683 524 HG23 VAL 69 2HG2 VAL 69 -3.903 7.772 -3.332 525 H ALA 70 H ALA 70 -2.209 10.453 -3.336 526 HA ALA 70 HA ALA 70 -1.742 11.089 -0.563 527 HB1 ALA 70 3HB ALA 70 0.642 11.030 -1.135 528 HB2 ALA 70 1HB ALA 70 0.243 10.971 -2.856 529 HB3 ALA 70 2HB ALA 70 -0.200 9.630 -1.802 530 H ARG 71 H ARG 71 -1.261 12.764 -3.647 531 HA ARG 71 HA ARG 71 -0.238 15.167 -2.585 532 HB2 ARG 71 2HB ARG 71 -0.701 16.141 -4.826 533 HB3 ARG 71 3HB ARG 71 0.154 14.607 -4.902 534 HG2 ARG 71 2HG ARG 71 -2.056 13.491 -5.389 535 HG3 ARG 71 3HG ARG 71 -2.770 15.102 -5.520 536 HD2 ARG 71 2HD ARG 71 -1.268 15.645 -7.381 537 HD3 ARG 71 3HD ARG 71 -0.450 14.088 -7.204 538 HE ARG 71 HE ARG 71 -3.327 14.141 -7.821 539 HH11 ARG 71 1HH1 ARG 71 -0.065 13.355 -8.864 540 HH12 ARG 71 2HH1 ARG 71 -0.597 12.470 -10.260 541 HH21 ARG 71 1HH2 ARG 71 -4.004 12.976 -9.656 542 HH22 ARG 71 2HH2 ARG 71 -2.822 12.253 -10.702 543 H GLU 72 H GLU 72 -3.570 14.128 -3.207 544 HA GLU 72 HA GLU 72 -4.652 16.780 -2.580 545 HB2 GLU 72 2HB GLU 72 -6.034 14.196 -3.387 546 HB3 GLU 72 3HB GLU 72 -6.839 15.750 -3.172 547 HG2 GLU 72 2HG GLU 72 -5.427 16.696 -5.004 548 HG3 GLU 72 3HG GLU 72 -4.712 15.103 -5.241 549 H GLU 73 H GLU 73 -5.040 13.454 -1.280 550 HA GLU 73 HA GLU 73 -6.676 14.438 0.936 551 HB2 GLU 73 2HB GLU 73 -5.979 11.550 0.258 552 HB3 GLU 73 3HB GLU 73 -7.272 12.106 1.321 553 HG2 GLU 73 2HG GLU 73 -7.118 12.499 -1.689 554 HG3 GLU 73 3HG GLU 73 -8.157 11.359 -0.837 555 H GLY 74 H GLY 74 -3.597 12.644 0.476 556 HA2 GLY 74 2HA GLY 74 -3.026 12.612 3.362 557 HA3 GLY 74 3HA GLY 74 -2.102 11.835 2.081 558 H THR 75 H THR 75 -0.144 12.775 3.012 559 HA THR 75 HA THR 75 0.196 15.678 2.411 560 HB THR 75 HB THR 75 2.114 15.654 3.977 561 HG1 THR 75 HG1 THR 75 1.639 12.939 3.905 562 HG21 THR 75 3HG2 THR 75 0.872 15.387 6.097 563 HG22 THR 75 1HG2 THR 75 -0.412 14.522 5.250 564 HG23 THR 75 2HG2 THR 75 -0.113 16.226 4.900 565 H GLN 76 H GLN 76 2.535 16.244 1.822 566 HA GLN 76 HA GLN 76 3.342 14.922 -0.559 567 HB2 GLN 76 2HB GLN 76 3.720 17.325 -0.223 568 HB3 GLN 76 3HB GLN 76 4.786 17.004 1.142 569 HG2 GLN 76 2HG GLN 76 6.411 15.927 -0.391 570 HG3 GLN 76 3HG GLN 76 5.336 16.234 -1.750 571 HE21 GLN 76 1HE2 GLN 76 5.201 18.338 -2.584 572 HE22 GLN 76 2HE2 GLN 76 6.332 19.575 -2.182 573 H LYS 77 H LYS 77 4.280 14.570 2.788 574 HA LYS 77 HA LYS 77 6.657 13.123 2.667 575 HB2 LYS 77 2HB LYS 77 5.551 13.847 4.780 576 HB3 LYS 77 3HB LYS 77 4.269 12.673 4.510 577 HG2 LYS 77 2HG LYS 77 6.349 10.953 4.502 578 HG3 LYS 77 3HG LYS 77 7.100 12.238 5.444 579 HD2 LYS 77 2HD LYS 77 6.106 10.640 6.978 580 HD3 LYS 77 3HD LYS 77 5.160 12.131 7.049 581 HE2 LYS 77 2HE LYS 77 3.485 11.110 5.512 582 HE3 LYS 77 3HE LYS 77 4.432 9.621 5.495 583 HZ1 LYS 77 3HZ LYS 77 2.636 9.430 7.034 584 HZ2 LYS 77 1HZ LYS 77 3.102 10.841 7.841 585 HZ3 LYS 77 2HZ LYS 77 4.083 9.464 7.899 586 H ASP 78 H ASP 78 3.292 11.961 2.511 587 HA ASP 78 HA ASP 78 3.828 9.200 2.077 588 HB2 ASP 78 2HB ASP 78 1.329 10.801 1.341 589 HB3 ASP 78 3HB ASP 78 1.430 9.046 1.398 590 H LEU 79 H LEU 79 3.061 11.922 -0.062 591 HA LEU 79 HA LEU 79 2.839 10.594 -2.505 592 HB2 LEU 79 2HB LEU 79 2.149 12.951 -2.065 593 HB3 LEU 79 3HB LEU 79 3.838 13.422 -1.984 594 HG LEU 79 HG LEU 79 4.106 12.772 -4.396 595 HD11 LEU 79 1HD1 LEU 79 2.342 11.104 -4.572 596 HD12 LEU 79 2HD1 LEU 79 2.116 12.369 -5.777 597 HD13 LEU 79 3HD1 LEU 79 1.106 12.345 -4.326 598 HD21 LEU 79 3HD2 LEU 79 3.681 15.110 -3.824 599 HD22 LEU 79 1HD2 LEU 79 1.939 14.834 -3.862 600 HD23 LEU 79 2HD2 LEU 79 2.890 14.700 -5.342 601 H SER 80 H SER 80 5.699 11.871 -0.866 602 HA SER 80 HA SER 80 7.579 11.541 -2.972 603 HB2 SER 80 2HB SER 80 8.034 11.736 0.040 604 HB3 SER 80 3HB SER 80 9.294 11.876 -1.188 605 HG SER 80 HG SER 80 7.037 13.544 -1.317 606 H GLU 81 H GLU 81 6.565 9.528 -0.233 607 HA GLU 81 HA GLU 81 8.426 7.420 -0.554 608 HB2 GLU 81 2HB GLU 81 5.640 7.436 0.691 609 HB3 GLU 81 3HB GLU 81 6.763 6.086 0.810 610 HG2 GLU 81 2HG GLU 81 7.127 8.861 1.952 611 HG3 GLU 81 3HG GLU 81 6.856 7.363 2.843 612 H LEU 82 H LEU 82 5.183 7.916 -1.861 613 HA LEU 82 HA LEU 82 4.878 5.321 -3.021 614 HB2 LEU 82 2HB LEU 82 3.427 7.941 -3.554 615 HB3 LEU 82 3HB LEU 82 2.889 6.367 -4.135 616 HG LEU 82 HG LEU 82 3.232 7.004 -1.177 617 HD11 LEU 82 1HD1 LEU 82 0.820 7.284 -1.024 618 HD12 LEU 82 2HD1 LEU 82 0.679 7.132 -2.777 619 HD13 LEU 82 3HD1 LEU 82 1.546 8.499 -2.075 620 HD21 LEU 82 3HD2 LEU 82 1.757 4.744 -2.559 621 HD22 LEU 82 1HD2 LEU 82 1.834 5.030 -0.818 622 HD23 LEU 82 2HD2 LEU 82 3.297 4.617 -1.704 623 H GLN 83 H GLN 83 5.707 8.513 -4.366 624 HA GLN 83 HA GLN 83 6.071 7.737 -7.062 625 HB2 GLN 83 2HB GLN 83 7.110 10.131 -5.496 626 HB3 GLN 83 3HB GLN 83 7.398 9.932 -7.221 627 HG2 GLN 83 2HG GLN 83 5.000 9.957 -7.664 628 HG3 GLN 83 3HG GLN 83 4.652 10.047 -5.943 629 HE21 GLN 83 1HE2 GLN 83 6.701 12.031 -5.358 630 HE22 GLN 83 2HE2 GLN 83 6.139 13.518 -6.028 631 H ASP 84 H ASP 84 8.315 7.873 -4.315 632 HA ASP 84 HA ASP 84 10.714 7.346 -5.763 633 HB2 ASP 84 2HB ASP 84 10.878 8.282 -3.529 634 HB3 ASP 84 3HB ASP 84 10.007 6.919 -2.830 635 H ALA 85 H ALA 85 8.516 5.245 -3.906 636 HA ALA 85 HA ALA 85 10.044 2.900 -4.129 637 HB1 ALA 85 3HB ALA 85 8.394 3.234 -2.365 638 HB2 ALA 85 1HB ALA 85 8.051 1.753 -3.263 639 HB3 ALA 85 2HB ALA 85 7.088 3.206 -3.552 640 H LYS 86 H LYS 86 7.340 4.122 -6.164 641 HA LYS 86 HA LYS 86 7.250 1.833 -7.850 642 HB2 LYS 86 2HB LYS 86 5.992 3.189 -9.480 643 HB3 LYS 86 3HB LYS 86 5.350 3.340 -7.855 644 HG2 LYS 86 2HG LYS 86 6.296 5.532 -7.596 645 HG3 LYS 86 3HG LYS 86 7.183 5.388 -9.113 646 HD2 LYS 86 2HD LYS 86 4.149 5.427 -8.869 647 HD3 LYS 86 3HD LYS 86 5.150 6.822 -9.276 648 HE2 LYS 86 2HE LYS 86 5.989 5.503 -11.273 649 HE3 LYS 86 3HE LYS 86 4.745 4.306 -10.918 650 HZ1 LYS 86 3HZ LYS 86 3.066 5.955 -11.250 651 HZ2 LYS 86 1HZ LYS 86 4.093 5.958 -12.593 652 HZ3 LYS 86 2HZ LYS 86 4.218 7.178 -11.435 653 H LEU 87 H LEU 87 9.084 4.935 -8.190 654 HA LEU 87 HA LEU 87 10.034 4.273 -10.804 655 HB2 LEU 87 2HB LEU 87 11.527 6.200 -10.679 656 HB3 LEU 87 3HB LEU 87 9.908 6.601 -10.159 657 HG LEU 87 HG LEU 87 10.858 6.387 -7.727 658 HD11 LEU 87 1HD1 LEU 87 13.484 6.755 -9.190 659 HD12 LEU 87 2HD1 LEU 87 13.010 5.373 -8.198 660 HD13 LEU 87 3HD1 LEU 87 13.228 6.952 -7.453 661 HD21 LEU 87 3HD2 LEU 87 10.128 8.510 -8.721 662 HD22 LEU 87 1HD2 LEU 87 11.712 8.722 -9.474 663 HD23 LEU 87 2HD2 LEU 87 11.553 8.737 -7.717 664 H LYS 88 H LYS 88 11.366 3.655 -7.578 665 HA LYS 88 HA LYS 88 13.854 2.605 -8.550 666 HB2 LYS 88 2HB LYS 88 14.362 2.083 -6.297 667 HB3 LYS 88 3HB LYS 88 13.404 3.548 -6.222 668 HG2 LYS 88 2HG LYS 88 12.354 2.448 -4.533 669 HG3 LYS 88 3HG LYS 88 11.426 1.747 -5.856 670 HD2 LYS 88 2HD LYS 88 13.247 -0.133 -5.855 671 HD3 LYS 88 3HD LYS 88 13.690 0.507 -4.271 672 HE2 LYS 88 2HE LYS 88 11.024 -0.671 -5.105 673 HE3 LYS 88 3HE LYS 88 12.179 -1.347 -3.954 674 HZ1 LYS 88 3HZ LYS 88 10.323 -0.311 -2.844 675 HZ2 LYS 88 1HZ LYS 88 10.634 1.161 -3.608 676 HZ3 LYS 88 2HZ LYS 88 11.744 0.538 -2.494 677 H ALA 89 H ALA 89 10.656 1.225 -7.829 678 HA ALA 89 HA ALA 89 11.357 -1.507 -8.281 679 HB1 ALA 89 3HB ALA 89 8.632 -0.173 -8.446 680 HB2 ALA 89 1HB ALA 89 9.367 -0.826 -6.979 681 HB3 ALA 89 2HB ALA 89 8.940 -1.905 -8.306 682 H GLU 90 H GLU 90 10.428 1.162 -10.392 683 HA GLU 90 HA GLU 90 10.242 -0.294 -12.831 684 HB2 GLU 90 2HB GLU 90 11.009 2.602 -12.250 685 HB3 GLU 90 3HB GLU 90 10.897 1.961 -13.887 686 HG2 GLU 90 2HG GLU 90 8.600 1.945 -11.912 687 HG3 GLU 90 3HG GLU 90 8.879 3.229 -13.083 688 H GLY 91 H GLY 91 12.929 1.112 -10.988 689 HA2 GLY 91 2HA GLY 91 15.090 0.603 -12.654 690 HA3 GLY 91 3HA GLY 91 15.144 0.606 -10.898 691 H LEU 92 H LEU 92 13.072 -1.711 -11.102 692 HA LEU 92 HA LEU 92 14.930 -3.941 -11.345 693 HB2 LEU 92 2HB LEU 92 11.961 -3.917 -10.659 694 HB3 LEU 92 3HB LEU 92 13.042 -5.294 -10.499 695 HG LEU 92 HG LEU 92 13.178 -2.717 -8.889 696 HD11 LEU 92 1HD1 LEU 92 11.282 -4.124 -8.236 697 HD12 LEU 92 2HD1 LEU 92 12.499 -4.079 -6.967 698 HD13 LEU 92 3HD1 LEU 92 12.360 -5.501 -8.003 699 HD21 LEU 92 3HD2 LEU 92 14.934 -5.189 -8.700 700 HD22 LEU 92 1HD2 LEU 92 14.936 -3.840 -7.555 701 HD23 LEU 92 2HD2 LEU 92 15.430 -3.575 -9.223 702 H GLU 93 H GLU 93 11.667 -3.209 -12.712 703 HA GLU 93 HA GLU 93 11.969 -5.473 -14.547 704 HB2 GLU 93 2HB GLU 93 9.534 -3.790 -13.869 705 HB3 GLU 93 3HB GLU 93 9.523 -5.220 -14.895 706 HG2 GLU 93 2HG GLU 93 10.196 -5.135 -11.939 707 HG3 GLU 93 3HG GLU 93 8.708 -5.739 -12.663 708 H HIS 94 H HIS 94 11.899 -1.996 -14.765 709 HA HIS 94 HA HIS 94 11.095 -1.651 -17.455 710 HB2 HIS 94 2HB HIS 94 11.272 0.182 -15.722 711 HB3 HIS 94 3HB HIS 94 13.020 0.142 -15.914 712 HD1 HIS 94 HD1 HIS 94 13.999 1.242 -18.027 713 HD2 HIS 94 HD2 HIS 94 9.851 1.337 -17.856 714 HE1 HIS 94 HE1 HIS 94 13.290 2.841 -19.821 715 HE2 HIS 94 HE2 HIS 94 10.793 2.993 -19.587 716 H HIS 95 H HIS 95 14.217 -2.356 -15.979 717 HA HIS 95 HA HIS 95 15.732 -2.623 -18.407 718 HB2 HIS 95 2HB HIS 95 16.868 -2.344 -16.226 719 HB3 HIS 95 3HB HIS 95 16.149 -3.831 -15.626 720 HD1 HIS 95 HD1 HIS 95 17.437 -5.936 -16.009 721 HD2 HIS 95 HD2 HIS 95 18.862 -2.815 -18.341 722 HE1 HIS 95 HE1 HIS 95 19.572 -6.784 -17.013 723 HE2 HIS 95 HE2 HIS 95 20.405 -4.872 -18.437 724 H HIS 96 H HIS 96 14.101 -3.688 -19.673 725 HA HIS 96 HA HIS 96 12.994 -6.235 -19.035 726 HB2 HIS 96 2HB HIS 96 12.306 -6.259 -21.502 727 HB3 HIS 96 3HB HIS 96 11.743 -4.886 -20.567 728 HD1 HIS 96 HD1 HIS 96 11.981 -2.711 -21.733 729 HD2 HIS 96 HD2 HIS 96 14.761 -5.461 -23.126 730 HE1 HIS 96 HE1 HIS 96 13.137 -1.586 -23.648 731 HE2 HIS 96 HE2 HIS 96 14.736 -3.311 -24.546 732 H HIS 97 H HIS 97 13.925 -8.182 -19.135 733 HA HIS 97 HA HIS 97 16.562 -8.579 -20.229 734 HB2 HIS 97 2HB HIS 97 15.759 -9.761 -18.159 735 HB3 HIS 97 3HB HIS 97 14.613 -10.664 -19.144 736 HD1 HIS 97 HD1 HIS 97 15.462 -12.871 -19.986 737 HD2 HIS 97 HD2 HIS 97 18.567 -10.289 -19.016 738 HE1 HIS 97 HE1 HIS 97 17.565 -14.198 -20.299 739 HE2 HIS 97 HE2 HIS 97 19.418 -12.654 -19.599 740 H HIS 98 H HIS 98 13.349 -9.958 -20.895 741 HA HIS 98 HA HIS 98 13.553 -9.749 -23.724 742 HB2 HIS 98 2HB HIS 98 15.028 -11.765 -23.332 743 HB3 HIS 98 3HB HIS 98 13.664 -12.589 -22.589 744 HD1 HIS 98 HD1 HIS 98 11.677 -13.264 -24.215 745 HD2 HIS 98 HD2 HIS 98 15.072 -11.773 -26.088 746 HE1 HIS 98 HE1 HIS 98 11.461 -13.918 -26.633 747 HE2 HIS 98 HE2 HIS 98 13.463 -12.874 -27.759 748 H HIS 99 H HIS 99 11.488 -9.754 -24.570 749 HA HIS 99 HA HIS 99 9.207 -10.399 -22.841 750 HB2 HIS 99 2HB HIS 99 9.426 -9.084 -25.589 751 HB3 HIS 99 3HB HIS 99 7.881 -9.492 -24.848 752 HD1 HIS 99 HD1 HIS 99 10.563 -6.945 -24.808 753 HD2 HIS 99 HD2 HIS 99 7.246 -7.944 -22.514 754 HE1 HIS 99 HE1 HIS 99 10.138 -4.950 -23.338 755 HE2 HIS 99 HE2 HIS 99 8.071 -5.549 -22.022 Start of MODEL 17 1 H1 GLU 1 1H GLU 1 -14.961 -4.221 21.300 2 H2 GLU 1 2H GLU 1 -14.226 -5.664 20.817 3 H3 GLU 1 3H GLU 1 -15.569 -5.073 19.978 4 HA GLU 1 HA GLU 1 -14.358 -3.168 19.258 5 HB2 GLU 1 2HB GLU 1 -12.025 -4.459 20.728 6 HB3 GLU 1 3HB GLU 1 -11.884 -3.061 19.662 7 HG2 GLU 1 2HG GLU 1 -13.362 -1.759 21.181 8 HG3 GLU 1 3HG GLU 1 -13.473 -3.158 22.254 9 H ASP 2 H ASP 2 -14.130 -3.477 17.131 10 HA ASP 2 HA ASP 2 -13.025 -6.028 16.094 11 HB2 ASP 2 2HB ASP 2 -15.383 -4.385 15.056 12 HB3 ASP 2 3HB ASP 2 -14.639 -5.695 14.141 13 HA PRO 3 HA PRO 3 -10.312 -3.353 13.740 14 HB2 PRO 3 2HB PRO 3 -9.298 -5.065 11.926 15 HB3 PRO 3 3HB PRO 3 -9.014 -5.302 13.659 16 HG2 PRO 3 2HG PRO 3 -11.049 -6.646 11.875 17 HG3 PRO 3 3HG PRO 3 -9.945 -7.378 13.060 18 HD2 PRO 3 2HD PRO 3 -12.580 -6.789 13.610 19 HD3 PRO 3 3HD PRO 3 -11.310 -6.840 14.852 20 H GLU 4 H GLU 4 -13.256 -3.477 12.849 21 HA GLU 4 HA GLU 4 -13.411 -3.417 10.040 22 HB2 GLU 4 2HB GLU 4 -15.207 -2.068 12.096 23 HB3 GLU 4 3HB GLU 4 -15.610 -2.292 10.392 24 HG2 GLU 4 2HG GLU 4 -15.524 -4.750 10.695 25 HG3 GLU 4 3HG GLU 4 -15.133 -4.530 12.400 26 H ASP 5 H ASP 5 -12.472 -0.970 12.347 27 HA ASP 5 HA ASP 5 -12.639 1.338 10.720 28 HB2 ASP 5 2HB ASP 5 -10.783 0.688 13.053 29 HB3 ASP 5 3HB ASP 5 -10.952 2.289 12.341 30 HA PRO 6 HA PRO 6 -9.610 0.669 7.541 31 HB2 PRO 6 2HB PRO 6 -8.921 3.586 7.946 32 HB3 PRO 6 3HB PRO 6 -9.281 2.719 6.443 33 HG2 PRO 6 2HG PRO 6 -11.117 4.290 7.565 34 HG3 PRO 6 3HG PRO 6 -11.594 2.734 6.846 35 HD2 PRO 6 2HD PRO 6 -11.269 3.466 9.750 36 HD3 PRO 6 3HD PRO 6 -12.457 2.390 8.986 37 H PHE 7 H PHE 7 -8.386 2.832 10.116 38 HA PHE 7 HA PHE 7 -5.651 2.235 9.811 39 HB2 PHE 7 2HB PHE 7 -6.478 4.252 10.981 40 HB3 PHE 7 3HB PHE 7 -7.109 3.257 12.286 41 HD1 PHE 7 HD2 PHE 7 -3.912 4.133 10.528 42 HD2 PHE 7 HD1 PHE 7 -5.705 2.784 14.169 43 HE1 PHE 7 HE2 PHE 7 -1.733 4.285 11.663 44 HE2 PHE 7 HE1 PHE 7 -3.522 2.931 15.289 45 HZ PHE 7 HZ PHE 7 -1.534 3.678 14.039 46 H THR 8 H THR 8 -8.167 0.635 11.728 47 HA THR 8 HA THR 8 -6.352 -0.742 13.460 48 HB THR 8 HB THR 8 -9.277 -1.447 12.993 49 HG1 THR 8 HG1 THR 8 -8.123 0.506 14.735 50 HG21 THR 8 3HG2 THR 8 -9.190 -2.210 15.355 51 HG22 THR 8 1HG2 THR 8 -7.481 -1.786 15.438 52 HG23 THR 8 2HG2 THR 8 -8.018 -3.085 14.369 53 H ARG 9 H ARG 9 -8.243 -1.734 10.564 54 HA ARG 9 HA ARG 9 -7.243 -4.449 10.528 55 HB2 ARG 9 2HB ARG 9 -8.351 -4.661 8.342 56 HB3 ARG 9 3HB ARG 9 -9.417 -3.902 9.511 57 HG2 ARG 9 2HG ARG 9 -8.367 -1.671 8.390 58 HG3 ARG 9 3HG ARG 9 -8.210 -2.779 7.026 59 HD2 ARG 9 2HD ARG 9 -10.756 -2.036 8.497 60 HD3 ARG 9 3HD ARG 9 -10.300 -1.563 6.863 61 HE ARG 9 HE ARG 9 -10.362 -4.322 6.841 62 HH11 ARG 9 1HH1 ARG 9 -12.671 -1.746 7.452 63 HH12 ARG 9 2HH1 ARG 9 -14.030 -2.704 6.967 64 HH21 ARG 9 1HH2 ARG 9 -12.181 -5.538 6.224 65 HH22 ARG 9 2HH2 ARG 9 -13.760 -4.833 6.291 66 H TYR 10 H TYR 10 -6.228 -1.394 9.234 67 HA TYR 10 HA TYR 10 -4.207 -2.210 7.434 68 HB2 TYR 10 2HB TYR 10 -5.026 0.058 7.409 69 HB3 TYR 10 3HB TYR 10 -4.637 0.295 9.103 70 HD1 TYR 10 HD2 TYR 10 -2.926 -0.469 5.836 71 HD2 TYR 10 HD1 TYR 10 -2.691 1.503 9.625 72 HE1 TYR 10 HE2 TYR 10 -0.788 0.547 5.188 73 HE2 TYR 10 HE1 TYR 10 -0.556 2.514 8.964 74 HH TYR 10 HH TYR 10 1.236 2.158 7.421 75 H ALA 11 H ALA 11 -4.083 -1.316 10.868 76 HA ALA 11 HA ALA 11 -1.333 -1.882 11.307 77 HB1 ALA 11 3HB ALA 11 -2.627 -0.366 12.751 78 HB2 ALA 11 1HB ALA 11 -1.900 -1.664 13.699 79 HB3 ALA 11 2HB ALA 11 -3.623 -1.714 13.304 80 H LEU 12 H LEU 12 -4.305 -3.756 11.560 81 HA LEU 12 HA LEU 12 -3.239 -6.089 12.797 82 HB2 LEU 12 2HB LEU 12 -5.663 -5.565 12.784 83 HB3 LEU 12 3HB LEU 12 -5.707 -5.769 11.042 84 HG LEU 12 HG LEU 12 -5.054 -8.199 11.382 85 HD11 LEU 12 1HD1 LEU 12 -5.314 -9.224 13.587 86 HD12 LEU 12 2HD1 LEU 12 -5.573 -7.637 14.310 87 HD13 LEU 12 3HD1 LEU 12 -4.010 -8.035 13.592 88 HD21 LEU 12 3HD2 LEU 12 -7.390 -7.578 10.955 89 HD22 LEU 12 1HD2 LEU 12 -7.655 -7.346 12.688 90 HD23 LEU 12 2HD2 LEU 12 -7.285 -8.951 12.056 91 H ALA 13 H ALA 13 -3.611 -5.022 9.455 92 HA ALA 13 HA ALA 13 -2.833 -7.399 8.133 93 HB1 ALA 13 3HB ALA 13 -2.516 -4.523 7.196 94 HB2 ALA 13 1HB ALA 13 -3.937 -5.540 6.953 95 HB3 ALA 13 2HB ALA 13 -2.411 -5.959 6.174 96 H GLN 14 H GLN 14 -1.024 -4.587 9.305 97 HA GLN 14 HA GLN 14 1.574 -5.419 8.521 98 HB2 GLN 14 2HB GLN 14 0.729 -3.564 10.788 99 HB3 GLN 14 3HB GLN 14 2.365 -3.716 10.141 100 HG2 GLN 14 2HG GLN 14 1.611 -2.889 7.957 101 HG3 GLN 14 3HG GLN 14 -0.047 -2.797 8.544 102 HE21 GLN 14 1HE2 GLN 14 1.629 -0.677 7.459 103 HE22 GLN 14 2HE2 GLN 14 1.702 0.539 8.681 104 H GLU 15 H GLU 15 -0.390 -6.151 11.369 105 HA GLU 15 HA GLU 15 1.592 -7.606 12.800 106 HB2 GLU 15 2HB GLU 15 -1.443 -7.716 12.888 107 HB3 GLU 15 3HB GLU 15 -0.429 -8.693 13.945 108 HG2 GLU 15 2HG GLU 15 -0.527 -5.661 13.849 109 HG3 GLU 15 3HG GLU 15 -1.234 -6.696 15.092 110 H HIS 16 H HIS 16 -0.899 -8.614 10.428 111 HA HIS 16 HA HIS 16 -0.317 -11.370 10.473 112 HB2 HIS 16 2HB HIS 16 -1.642 -9.621 8.386 113 HB3 HIS 16 3HB HIS 16 -1.352 -11.328 8.077 114 HD1 HIS 16 HD1 HIS 16 -2.494 -13.017 9.871 115 HD2 HIS 16 HD2 HIS 16 -3.952 -9.132 9.781 116 HE1 HIS 16 HE1 HIS 16 -4.717 -13.103 11.017 117 HE2 HIS 16 HE2 HIS 16 -5.656 -10.794 10.749 118 H LEU 17 H LEU 17 1.203 -8.716 8.703 119 HA LEU 17 HA LEU 17 2.834 -10.151 6.944 120 HB2 LEU 17 2HB LEU 17 3.296 -7.520 8.386 121 HB3 LEU 17 3HB LEU 17 4.396 -8.133 7.162 122 HG LEU 17 HG LEU 17 1.466 -7.455 6.668 123 HD11 LEU 17 1HD1 LEU 17 2.748 -5.418 7.114 124 HD12 LEU 17 2HD1 LEU 17 2.280 -5.509 5.418 125 HD13 LEU 17 3HD1 LEU 17 3.939 -5.880 5.893 126 HD21 LEU 17 3HD2 LEU 17 2.028 -7.709 4.285 127 HD22 LEU 17 1HD2 LEU 17 2.264 -9.216 5.166 128 HD23 LEU 17 2HD2 LEU 17 3.659 -8.230 4.713 129 H LYS 18 H LYS 18 3.579 -9.012 10.272 130 HA LYS 18 HA LYS 18 6.106 -10.385 10.386 131 HB2 LYS 18 2HB LYS 18 6.266 -9.580 12.682 132 HB3 LYS 18 3HB LYS 18 5.690 -8.283 11.640 133 HG2 LYS 18 2HG LYS 18 3.343 -8.798 12.422 134 HG3 LYS 18 3HG LYS 18 4.036 -9.920 13.596 135 HD2 LYS 18 2HD LYS 18 4.577 -6.929 13.440 136 HD3 LYS 18 3HD LYS 18 3.513 -7.718 14.599 137 HE2 LYS 18 2HE LYS 18 5.443 -8.902 15.571 138 HE3 LYS 18 3HE LYS 18 6.516 -8.139 14.396 139 HZ1 LYS 18 3HZ LYS 18 4.905 -6.712 16.437 140 HZ2 LYS 18 1HZ LYS 18 5.974 -5.997 15.333 141 HZ3 LYS 18 2HZ LYS 18 6.562 -7.028 16.539 142 H HIS 19 H HIS 19 2.824 -11.313 11.134 143 HA HIS 19 HA HIS 19 3.606 -13.750 12.514 144 HB2 HIS 19 2HB HIS 19 0.880 -12.792 11.577 145 HB3 HIS 19 3HB HIS 19 1.165 -14.203 12.596 146 HD1 HIS 19 HD1 HIS 19 -0.597 -11.697 13.422 147 HD2 HIS 19 HD2 HIS 19 3.326 -12.383 14.602 148 HE1 HIS 19 HE1 HIS 19 -0.269 -10.341 15.509 149 HE2 HIS 19 HE2 HIS 19 2.040 -10.927 16.300 150 H ASP 20 H ASP 20 4.173 -13.106 9.504 151 HA ASP 20 HA ASP 20 4.831 -14.421 7.776 152 HB2 ASP 20 2HB ASP 20 5.371 -16.216 9.352 153 HB3 ASP 20 3HB ASP 20 3.688 -16.719 9.417 154 H ASN 21 H ASN 21 1.654 -13.935 8.620 155 HA ASN 21 HA ASN 21 0.345 -15.279 6.393 156 HB2 ASN 21 2HB ASN 21 -0.804 -13.325 8.434 157 HB3 ASN 21 3HB ASN 21 -1.726 -14.355 7.355 158 HD21 ASN 21 1HD2 ASN 21 0.047 -16.701 7.875 159 HD22 ASN 21 2HD2 ASN 21 -0.378 -17.232 9.460 160 H ALA 22 H ALA 22 2.060 -13.849 5.087 161 HA ALA 22 HA ALA 22 1.558 -11.083 4.692 162 HB1 ALA 22 3HB ALA 22 3.731 -12.130 4.189 163 HB2 ALA 22 1HB ALA 22 3.075 -11.324 2.763 164 HB3 ALA 22 2HB ALA 22 2.990 -13.082 2.899 165 H SER 23 H SER 23 0.481 -14.023 3.044 166 HA SER 23 HA SER 23 -1.012 -12.910 0.959 167 HB2 SER 23 2HB SER 23 -2.193 -15.152 0.964 168 HB3 SER 23 3HB SER 23 -0.433 -15.255 0.962 169 HG SER 23 HG SER 23 -1.943 -16.478 2.604 170 H ARG 24 H ARG 24 -1.927 -13.527 4.352 171 HA ARG 24 HA ARG 24 -4.725 -12.967 4.006 172 HB2 ARG 24 2HB ARG 24 -2.992 -13.120 6.516 173 HB3 ARG 24 3HB ARG 24 -4.748 -13.024 6.519 174 HG2 ARG 24 2HG ARG 24 -3.158 -15.317 5.304 175 HG3 ARG 24 3HG ARG 24 -3.878 -15.328 6.915 176 HD2 ARG 24 2HD ARG 24 -6.116 -15.104 5.950 177 HD3 ARG 24 3HD ARG 24 -5.426 -15.002 4.325 178 HE ARG 24 HE ARG 24 -4.697 -17.408 5.736 179 HH11 ARG 24 1HH1 ARG 24 -7.186 -15.988 3.698 180 HH12 ARG 24 2HH1 ARG 24 -7.775 -17.524 3.147 181 HH21 ARG 24 1HH2 ARG 24 -5.470 -19.407 4.996 182 HH22 ARG 24 2HH2 ARG 24 -6.794 -19.459 3.875 183 H ALA 25 H ALA 25 -1.886 -11.214 5.098 184 HA ALA 25 HA ALA 25 -3.061 -8.731 5.801 185 HB1 ALA 25 3HB ALA 25 -0.244 -9.376 4.838 186 HB2 ALA 25 1HB ALA 25 -0.800 -9.402 6.512 187 HB3 ALA 25 2HB ALA 25 -0.745 -7.877 5.630 188 H LEU 26 H LEU 26 -1.924 -10.166 2.830 189 HA LEU 26 HA LEU 26 -1.807 -7.934 1.111 190 HB2 LEU 26 2HB LEU 26 -0.836 -10.187 0.629 191 HB3 LEU 26 3HB LEU 26 -2.454 -10.838 0.456 192 HG LEU 26 HG LEU 26 -2.790 -9.360 -1.554 193 HD11 LEU 26 1HD1 LEU 26 0.137 -8.684 -1.209 194 HD12 LEU 26 2HD1 LEU 26 -1.217 -7.568 -1.030 195 HD13 LEU 26 3HD1 LEU 26 -0.860 -8.274 -2.605 196 HD21 LEU 26 3HD2 LEU 26 -2.072 -11.701 -1.837 197 HD22 LEU 26 1HD2 LEU 26 -0.380 -11.200 -1.718 198 HD23 LEU 26 2HD2 LEU 26 -1.370 -10.660 -3.073 199 H ALA 27 H ALA 27 -4.329 -10.351 1.677 200 HA ALA 27 HA ALA 27 -6.428 -9.320 0.199 201 HB1 ALA 27 3HB ALA 27 -6.419 -11.548 1.243 202 HB2 ALA 27 1HB ALA 27 -7.882 -10.658 1.666 203 HB3 ALA 27 2HB ALA 27 -6.571 -10.814 2.841 204 H LEU 28 H LEU 28 -5.534 -8.540 3.599 205 HA LEU 28 HA LEU 28 -7.692 -6.805 4.154 206 HB2 LEU 28 2HB LEU 28 -4.930 -7.050 5.368 207 HB3 LEU 28 3HB LEU 28 -6.078 -5.856 5.951 208 HG LEU 28 HG LEU 28 -6.545 -8.873 5.989 209 HD11 LEU 28 1HD1 LEU 28 -4.813 -8.205 7.605 210 HD12 LEU 28 2HD1 LEU 28 -6.286 -8.698 8.434 211 HD13 LEU 28 3HD1 LEU 28 -5.895 -6.982 8.279 212 HD21 LEU 28 3HD2 LEU 28 -8.530 -8.340 7.348 213 HD22 LEU 28 1HD2 LEU 28 -8.649 -7.617 5.747 214 HD23 LEU 28 2HD2 LEU 28 -8.228 -6.614 7.137 215 H PHE 29 H PHE 29 -4.461 -6.082 2.830 216 HA PHE 29 HA PHE 29 -4.784 -3.250 2.787 217 HB2 PHE 29 2HB PHE 29 -2.891 -5.069 1.264 218 HB3 PHE 29 3HB PHE 29 -2.859 -3.325 1.109 219 HD1 PHE 29 HD2 PHE 29 -2.970 -2.228 3.748 220 HD2 PHE 29 HD1 PHE 29 -1.039 -5.834 2.478 221 HE1 PHE 29 HE2 PHE 29 -1.379 -2.053 5.623 222 HE2 PHE 29 HE1 PHE 29 0.542 -5.642 4.349 223 HZ PHE 29 HZ PHE 29 0.377 -3.760 5.927 224 H GLU 30 H GLU 30 -5.242 -5.768 0.301 225 HA GLU 30 HA GLU 30 -6.071 -4.106 -1.824 226 HB2 GLU 30 2HB GLU 30 -6.681 -7.035 -1.261 227 HB3 GLU 30 3HB GLU 30 -7.000 -6.239 -2.796 228 HG2 GLU 30 2HG GLU 30 -4.618 -5.833 -3.132 229 HG3 GLU 30 3HG GLU 30 -4.247 -6.496 -1.542 230 H GLU 31 H GLU 31 -7.793 -5.517 0.901 231 HA GLU 31 HA GLU 31 -10.444 -4.883 0.051 232 HB2 GLU 31 2HB GLU 31 -9.996 -6.639 1.723 233 HB3 GLU 31 3HB GLU 31 -9.296 -5.451 2.816 234 HG2 GLU 31 2HG GLU 31 -11.507 -4.359 3.046 235 HG3 GLU 31 3HG GLU 31 -12.203 -5.552 1.945 236 H LEU 32 H LEU 32 -7.951 -3.279 1.999 237 HA LEU 32 HA LEU 32 -9.386 -1.015 2.818 238 HB2 LEU 32 2HB LEU 32 -6.463 -1.603 2.397 239 HB3 LEU 32 3HB LEU 32 -6.954 0.037 2.773 240 HG LEU 32 HG LEU 32 -7.672 -2.318 4.567 241 HD11 LEU 32 1HD1 LEU 32 -5.281 -0.465 4.829 242 HD12 LEU 32 2HD1 LEU 32 -5.219 -2.180 4.420 243 HD13 LEU 32 3HD1 LEU 32 -5.791 -1.681 6.008 244 HD21 LEU 32 3HD2 LEU 32 -7.627 0.686 5.056 245 HD22 LEU 32 1HD2 LEU 32 -8.045 -0.556 6.243 246 HD23 LEU 32 2HD2 LEU 32 -9.069 -0.308 4.836 247 H VAL 33 H VAL 33 -7.592 -1.650 -0.192 248 HA VAL 33 HA VAL 33 -7.792 0.902 -1.359 249 HB VAL 33 HB VAL 33 -7.673 -1.830 -2.718 250 HG11 VAL 33 1HG1 VAL 33 -6.867 -0.633 -4.749 251 HG12 VAL 33 2HG1 VAL 33 -7.226 0.908 -3.966 252 HG13 VAL 33 3HG1 VAL 33 -8.534 -0.215 -4.339 253 HG21 VAL 33 3HG2 VAL 33 -5.456 0.173 -2.122 254 HG22 VAL 33 1HG2 VAL 33 -5.266 -1.358 -2.989 255 HG23 VAL 33 2HG2 VAL 33 -5.720 -1.360 -1.288 256 H GLU 34 H GLU 34 -9.917 -1.956 -1.765 257 HA GLU 34 HA GLU 34 -11.659 -0.732 -3.610 258 HB2 GLU 34 2HB GLU 34 -13.099 -2.703 -3.344 259 HB3 GLU 34 3HB GLU 34 -11.404 -3.158 -3.476 260 HG2 GLU 34 2HG GLU 34 -11.306 -3.428 -1.008 261 HG3 GLU 34 3HG GLU 34 -13.024 -3.052 -0.917 262 H THR 35 H THR 35 -11.961 -0.974 -0.003 263 HA THR 35 HA THR 35 -14.573 0.313 -0.071 264 HB THR 35 HB THR 35 -14.186 -1.487 1.581 265 HG1 THR 35 HG1 THR 35 -14.518 0.978 2.955 266 HG21 THR 35 3HG2 THR 35 -12.224 0.399 2.945 267 HG22 THR 35 1HG2 THR 35 -11.782 -1.083 2.104 268 HG23 THR 35 2HG2 THR 35 -12.773 -1.161 3.559 269 H ASP 36 H ASP 36 -11.225 1.206 0.655 270 HA ASP 36 HA ASP 36 -12.028 4.006 1.147 271 HB2 ASP 36 2HB ASP 36 -10.193 2.295 2.866 272 HB3 ASP 36 3HB ASP 36 -10.046 4.047 2.849 273 HA PRO 37 HA PRO 37 -8.817 3.526 -2.178 274 HB2 PRO 37 2HB PRO 37 -10.318 5.589 -3.663 275 HB3 PRO 37 3HB PRO 37 -9.965 3.925 -4.132 276 HG2 PRO 37 2HG PRO 37 -12.483 4.731 -3.479 277 HG3 PRO 37 3HG PRO 37 -11.891 3.089 -3.148 278 HD2 PRO 37 2HD PRO 37 -12.085 5.440 -1.264 279 HD3 PRO 37 3HD PRO 37 -12.586 3.750 -1.007 280 H ASP 38 H ASP 38 -9.709 5.938 -0.086 281 HA ASP 38 HA ASP 38 -7.739 7.935 -1.009 282 HB2 ASP 38 2HB ASP 38 -10.146 8.220 0.852 283 HB3 ASP 38 3HB ASP 38 -9.018 9.516 0.470 284 H TYR 39 H TYR 39 -7.139 5.416 0.542 285 HA TYR 39 HA TYR 39 -6.115 6.604 3.058 286 HB2 TYR 39 2HB TYR 39 -7.794 4.643 3.288 287 HB3 TYR 39 3HB TYR 39 -6.543 3.613 2.600 288 HD1 TYR 39 HD1 TYR 39 -7.548 5.560 5.574 289 HD2 TYR 39 HD2 TYR 39 -4.479 3.102 3.909 290 HE1 TYR 39 HE1 TYR 39 -6.531 5.312 7.798 291 HE2 TYR 39 HE2 TYR 39 -3.471 2.843 6.126 292 HH TYR 39 HH TYR 39 -5.034 3.945 9.014 293 H VAL 40 H VAL 40 -4.165 7.287 2.468 294 HA VAL 40 HA VAL 40 -2.681 6.410 0.232 295 HB VAL 40 HB VAL 40 -1.840 8.146 2.605 296 HG11 VAL 40 1HG1 VAL 40 0.139 7.362 1.375 297 HG12 VAL 40 2HG1 VAL 40 -0.114 9.082 1.112 298 HG13 VAL 40 3HG1 VAL 40 -0.559 7.933 -0.143 299 HG21 VAL 40 3HG2 VAL 40 -2.995 8.957 -0.093 300 HG22 VAL 40 1HG2 VAL 40 -2.420 10.074 1.148 301 HG23 VAL 40 2HG2 VAL 40 -3.823 9.050 1.462 302 H GLY 41 H GLY 41 -2.404 5.732 3.699 303 HA2 GLY 41 2HA GLY 41 0.208 4.670 3.798 304 HA3 GLY 41 3HA GLY 41 -1.068 4.366 4.965 305 H THR 42 H THR 42 -2.896 3.174 3.028 306 HA THR 42 HA THR 42 -2.223 0.467 3.060 307 HB THR 42 HB THR 42 -4.156 1.992 1.258 308 HG1 THR 42 HG1 THR 42 -5.631 1.422 2.781 309 HG21 THR 42 3HG2 THR 42 -3.917 -1.013 1.669 310 HG22 THR 42 1HG2 THR 42 -3.605 -0.144 0.168 311 HG23 THR 42 2HG2 THR 42 -5.239 -0.198 0.829 312 H TYR 43 H TYR 43 -1.978 2.838 0.388 313 HA TYR 43 HA TYR 43 -1.266 0.994 -1.599 314 HB2 TYR 43 2HB TYR 43 -0.879 4.005 -1.505 315 HB3 TYR 43 3HB TYR 43 -0.622 3.027 -2.951 316 HD1 TYR 43 HD2 TYR 43 -2.568 1.718 -3.922 317 HD2 TYR 43 HD1 TYR 43 -3.143 4.658 -0.873 318 HE1 TYR 43 HE2 TYR 43 -4.956 1.789 -4.439 319 HE2 TYR 43 HE1 TYR 43 -5.543 4.712 -1.399 320 HH TYR 43 HH TYR 43 -6.995 4.171 -3.385 321 H TYR 44 H TYR 44 0.847 3.184 0.312 322 HA TYR 44 HA TYR 44 3.291 2.436 -0.668 323 HB2 TYR 44 2HB TYR 44 2.769 4.235 1.066 324 HB3 TYR 44 3HB TYR 44 2.756 2.959 2.284 325 HD1 TYR 44 HD2 TYR 44 4.918 4.691 -0.228 326 HD2 TYR 44 HD1 TYR 44 4.866 2.109 3.182 327 HE1 TYR 44 HE2 TYR 44 7.357 4.911 -0.019 328 HE2 TYR 44 HE1 TYR 44 7.304 2.324 3.375 329 HH TYR 44 HH TYR 44 9.078 4.681 1.815 330 H HIS 45 H HIS 45 1.736 0.989 2.167 331 HA HIS 45 HA HIS 45 3.745 -1.009 2.545 332 HB2 HIS 45 2HB HIS 45 1.005 -0.680 3.828 333 HB3 HIS 45 3HB HIS 45 2.177 -1.900 4.328 334 HD1 HIS 45 HD1 HIS 45 3.470 -1.161 6.318 335 HD2 HIS 45 HD2 HIS 45 2.440 2.060 3.919 336 HE1 HIS 45 HE1 HIS 45 4.383 0.858 7.477 337 HE2 HIS 45 HE2 HIS 45 3.928 2.762 5.904 338 H LEU 46 H LEU 46 0.747 -1.044 0.797 339 HA LEU 46 HA LEU 46 0.555 -3.882 0.411 340 HB2 LEU 46 2HB LEU 46 -1.452 -2.516 0.239 341 HB3 LEU 46 3HB LEU 46 -0.731 -1.533 -1.019 342 HG LEU 46 HG LEU 46 -0.839 -3.412 -2.609 343 HD11 LEU 46 1HD1 LEU 46 -1.947 -5.527 -2.087 344 HD12 LEU 46 2HD1 LEU 46 -2.131 -5.037 -0.404 345 HD13 LEU 46 3HD1 LEU 46 -0.523 -5.303 -1.074 346 HD21 LEU 46 3HD2 LEU 46 -2.784 -1.920 -2.477 347 HD22 LEU 46 1HD2 LEU 46 -3.507 -2.949 -1.232 348 HD23 LEU 46 2HD2 LEU 46 -3.274 -3.566 -2.869 349 H GLY 47 H GLY 47 1.901 -1.126 -1.405 350 HA2 GLY 47 2HA GLY 47 2.679 -2.595 -3.730 351 HA3 GLY 47 3HA GLY 47 3.219 -0.987 -3.266 352 H LYS 48 H LYS 48 4.197 -1.748 -0.685 353 HA LYS 48 HA LYS 48 6.833 -2.637 -1.187 354 HB2 LYS 48 2HB LYS 48 5.205 -2.265 1.356 355 HB3 LYS 48 3HB LYS 48 6.842 -2.913 1.428 356 HG2 LYS 48 2HG LYS 48 6.095 -0.220 0.235 357 HG3 LYS 48 3HG LYS 48 6.738 -0.470 1.865 358 HD2 LYS 48 2HD LYS 48 8.833 -1.324 0.979 359 HD3 LYS 48 3HD LYS 48 8.188 -1.329 -0.665 360 HE2 LYS 48 2HE LYS 48 8.591 1.172 0.991 361 HE3 LYS 48 3HE LYS 48 9.744 0.563 -0.199 362 HZ1 LYS 48 3HZ LYS 48 8.074 0.774 -1.901 363 HZ2 LYS 48 1HZ LYS 48 8.309 2.262 -1.122 364 HZ3 LYS 48 2HZ LYS 48 6.940 1.327 -0.779 365 H LEU 49 H LEU 49 3.950 -4.219 0.052 366 HA LEU 49 HA LEU 49 5.107 -6.755 0.609 367 HB2 LEU 49 2HB LEU 49 2.988 -6.018 1.597 368 HB3 LEU 49 3HB LEU 49 2.227 -5.981 0.017 369 HG LEU 49 HG LEU 49 2.304 -8.417 -0.149 370 HD11 LEU 49 1HD1 LEU 49 3.180 -9.846 1.665 371 HD12 LEU 49 2HD1 LEU 49 3.779 -8.418 2.512 372 HD13 LEU 49 3HD1 LEU 49 4.458 -8.868 0.945 373 HD21 LEU 49 3HD2 LEU 49 0.803 -9.020 1.707 374 HD22 LEU 49 1HD2 LEU 49 0.394 -7.430 1.064 375 HD23 LEU 49 2HD2 LEU 49 1.278 -7.566 2.587 376 H TYR 50 H TYR 50 3.518 -5.369 -2.249 377 HA TYR 50 HA TYR 50 3.598 -7.607 -3.946 378 HB2 TYR 50 2HB TYR 50 3.630 -4.628 -4.526 379 HB3 TYR 50 3HB TYR 50 3.654 -5.820 -5.819 380 HD1 TYR 50 HD1 TYR 50 1.719 -7.863 -4.736 381 HD2 TYR 50 HD2 TYR 50 1.508 -3.593 -4.823 382 HE1 TYR 50 HE1 TYR 50 -0.738 -7.976 -4.787 383 HE2 TYR 50 HE2 TYR 50 -0.938 -3.716 -4.859 384 HH TYR 50 HH TYR 50 -2.655 -6.582 -4.216 385 H GLU 51 H GLU 51 6.042 -5.048 -3.403 386 HA GLU 51 HA GLU 51 7.947 -5.888 -5.287 387 HB2 GLU 51 2HB GLU 51 8.334 -4.454 -2.636 388 HB3 GLU 51 3HB GLU 51 9.624 -4.688 -3.810 389 HG2 GLU 51 2HG GLU 51 8.297 -3.380 -5.476 390 HG3 GLU 51 3HG GLU 51 7.084 -3.079 -4.229 391 H ARG 52 H ARG 52 7.395 -6.901 -1.938 392 HA ARG 52 HA ARG 52 9.608 -8.659 -1.651 393 HB2 ARG 52 2HB ARG 52 6.895 -8.681 -0.261 394 HB3 ARG 52 3HB ARG 52 8.280 -9.645 0.245 395 HG2 ARG 52 2HG ARG 52 9.546 -7.504 0.645 396 HG3 ARG 52 3HG ARG 52 8.068 -6.614 0.267 397 HD2 ARG 52 2HD ARG 52 8.403 -6.872 2.710 398 HD3 ARG 52 3HD ARG 52 6.920 -7.664 2.157 399 HE ARG 52 HE ARG 52 9.036 -9.525 2.117 400 HH11 ARG 52 1HH1 ARG 52 7.101 -7.827 4.499 401 HH12 ARG 52 2HH1 ARG 52 7.259 -9.084 5.679 402 HH21 ARG 52 1HH2 ARG 52 9.201 -11.162 3.651 403 HH22 ARG 52 2HH2 ARG 52 8.454 -10.974 5.205 404 H LEU 53 H LEU 53 6.319 -9.094 -2.857 405 HA LEU 53 HA LEU 53 6.574 -11.979 -3.203 406 HB2 LEU 53 2HB LEU 53 4.308 -10.069 -3.886 407 HB3 LEU 53 3HB LEU 53 4.213 -11.820 -4.018 408 HG LEU 53 HG LEU 53 4.576 -10.257 -1.428 409 HD11 LEU 53 1HD1 LEU 53 2.311 -11.027 -0.859 410 HD12 LEU 53 2HD1 LEU 53 2.155 -11.759 -2.459 411 HD13 LEU 53 3HD1 LEU 53 2.314 -10.007 -2.299 412 HD21 LEU 53 3HD2 LEU 53 5.731 -12.416 -1.290 413 HD22 LEU 53 1HD2 LEU 53 4.273 -13.253 -1.836 414 HD23 LEU 53 2HD2 LEU 53 4.288 -12.418 -0.281 415 H ASP 54 H ASP 54 8.056 -9.761 -4.874 416 HA ASP 54 HA ASP 54 8.933 -9.475 -6.901 417 HB2 ASP 54 2HB ASP 54 9.284 -11.986 -6.634 418 HB3 ASP 54 3HB ASP 54 7.843 -12.233 -7.613 419 H ARG 55 H ARG 55 5.968 -9.017 -6.395 420 HA ARG 55 HA ARG 55 4.786 -8.999 -9.075 421 HB2 ARG 55 2HB ARG 55 3.567 -8.311 -6.366 422 HB3 ARG 55 3HB ARG 55 2.689 -8.297 -7.893 423 HG2 ARG 55 2HG ARG 55 3.892 -10.712 -6.497 424 HG3 ARG 55 3HG ARG 55 2.178 -10.341 -6.705 425 HD2 ARG 55 2HD ARG 55 4.170 -11.099 -8.872 426 HD3 ARG 55 3HD ARG 55 2.787 -12.047 -8.314 427 HE ARG 55 HE ARG 55 1.607 -9.788 -9.182 428 HH11 ARG 55 1HH1 ARG 55 3.929 -11.903 -10.775 429 HH12 ARG 55 2HH1 ARG 55 3.378 -11.483 -12.365 430 HH21 ARG 55 1HH2 ARG 55 0.926 -9.241 -11.252 431 HH22 ARG 55 2HH2 ARG 55 1.663 -9.983 -12.642 432 H THR 56 H THR 56 6.575 -7.456 -9.585 433 HA THR 56 HA THR 56 6.668 -4.795 -8.661 434 HB THR 56 HB THR 56 7.587 -5.939 -11.331 435 HG1 THR 56 HG1 THR 56 8.569 -6.083 -8.743 436 HG21 THR 56 3HG2 THR 56 8.497 -3.405 -9.904 437 HG22 THR 56 1HG2 THR 56 7.541 -3.462 -11.386 438 HG23 THR 56 2HG2 THR 56 9.197 -4.061 -11.384 439 H ASP 57 H ASP 57 4.851 -6.280 -11.363 440 HA ASP 57 HA ASP 57 3.973 -3.936 -12.680 441 HB2 ASP 57 2HB ASP 57 2.682 -6.688 -12.460 442 HB3 ASP 57 3HB ASP 57 2.028 -5.411 -13.481 443 H ASP 58 H ASP 58 2.498 -5.872 -10.132 444 HA ASP 58 HA ASP 58 0.137 -4.427 -9.699 445 HB2 ASP 58 2HB ASP 58 1.799 -6.127 -7.793 446 HB3 ASP 58 3HB ASP 58 0.169 -5.557 -7.444 447 H ALA 59 H ALA 59 3.362 -4.218 -8.220 448 HA ALA 59 HA ALA 59 2.832 -2.436 -6.135 449 HB1 ALA 59 3HB ALA 59 5.265 -2.067 -6.059 450 HB2 ALA 59 1HB ALA 59 5.440 -2.804 -7.657 451 HB3 ALA 59 2HB ALA 59 4.896 -3.776 -6.288 452 H ILE 60 H ILE 60 4.085 -1.724 -9.424 453 HA ILE 60 HA ILE 60 4.442 1.049 -9.071 454 HB ILE 60 HB ILE 60 3.844 -0.282 -11.756 455 HG12 ILE 60 2HG1 ILE 60 5.646 -1.577 -10.768 456 HG13 ILE 60 3HG1 ILE 60 6.352 -0.530 -11.986 457 HG21 ILE 60 1HG2 ILE 60 5.424 2.229 -11.080 458 HG22 ILE 60 2HG2 ILE 60 3.836 2.167 -11.845 459 HG23 ILE 60 3HG2 ILE 60 5.246 1.535 -12.695 460 HD11 ILE 60 3HD1 ILE 60 6.433 -0.121 -9.002 461 HD12 ILE 60 1HD1 ILE 60 7.087 0.995 -10.201 462 HD13 ILE 60 2HD1 ILE 60 7.760 -0.626 -10.048 463 H ASP 61 H ASP 61 1.685 -0.827 -10.249 464 HA ASP 61 HA ASP 61 0.104 1.390 -11.106 465 HB2 ASP 61 2HB ASP 61 -0.143 -0.989 -11.940 466 HB3 ASP 61 3HB ASP 61 -0.872 -1.412 -10.394 467 H THR 62 H THR 62 0.373 -0.440 -8.115 468 HA THR 62 HA THR 62 -1.850 0.684 -6.729 469 HB THR 62 HB THR 62 0.650 -0.735 -5.711 470 HG1 THR 62 HG1 THR 62 -1.082 -1.791 -7.113 471 HG21 THR 62 3HG2 THR 62 -0.336 0.563 -3.856 472 HG22 THR 62 1HG2 THR 62 -0.600 -1.167 -3.622 473 HG23 THR 62 2HG2 THR 62 -1.917 -0.143 -4.198 474 H TYR 63 H TYR 63 1.615 1.483 -6.841 475 HA TYR 63 HA TYR 63 1.562 3.677 -5.044 476 HB2 TYR 63 2HB TYR 63 3.505 2.990 -7.280 477 HB3 TYR 63 3HB TYR 63 3.731 4.378 -6.217 478 HD1 TYR 63 HD1 TYR 63 3.227 3.529 -3.559 479 HD2 TYR 63 HD2 TYR 63 4.992 1.223 -6.696 480 HE1 TYR 63 HE1 TYR 63 4.373 2.134 -1.910 481 HE2 TYR 63 HE2 TYR 63 6.126 -0.173 -5.021 482 HH TYR 63 HH TYR 63 6.511 -0.494 -2.849 483 H ALA 64 H ALA 64 1.138 3.464 -8.566 484 HA ALA 64 HA ALA 64 0.900 6.188 -9.181 485 HB1 ALA 64 3HB ALA 64 1.197 4.436 -10.889 486 HB2 ALA 64 1HB ALA 64 -0.212 5.430 -11.246 487 HB3 ALA 64 2HB ALA 64 -0.424 3.822 -10.550 488 H GLN 65 H GLN 65 -1.594 3.815 -8.277 489 HA GLN 65 HA GLN 65 -3.848 5.495 -8.269 490 HB2 GLN 65 2HB GLN 65 -3.163 2.972 -6.723 491 HB3 GLN 65 3HB GLN 65 -4.710 3.781 -6.494 492 HG2 GLN 65 2HG GLN 65 -3.821 2.966 -9.267 493 HG3 GLN 65 3HG GLN 65 -4.519 1.780 -8.168 494 HE21 GLN 65 1HE2 GLN 65 -5.660 5.145 -8.223 495 HE22 GLN 65 2HE2 GLN 65 -7.199 4.780 -8.894 496 H GLY 66 H GLY 66 -1.543 4.675 -5.737 497 HA2 GLY 66 2HA GLY 66 -2.546 6.105 -3.579 498 HA3 GLY 66 3HA GLY 66 -0.860 5.681 -3.826 499 H ILE 67 H ILE 67 -0.392 7.170 -6.177 500 HA ILE 67 HA ILE 67 0.482 9.614 -5.188 501 HB ILE 67 HB ILE 67 0.112 8.506 -7.982 502 HG12 ILE 67 2HG1 ILE 67 2.614 9.310 -6.428 503 HG13 ILE 67 3HG1 ILE 67 1.977 7.673 -6.545 504 HG21 ILE 67 1HG2 ILE 67 1.299 10.446 -8.986 505 HG22 ILE 67 2HG2 ILE 67 1.185 11.298 -7.446 506 HG23 ILE 67 3HG2 ILE 67 -0.280 10.896 -8.340 507 HD11 ILE 67 3HD1 ILE 67 3.870 8.046 -8.008 508 HD12 ILE 67 1HD1 ILE 67 3.000 9.325 -8.848 509 HD13 ILE 67 2HD1 ILE 67 2.421 7.656 -8.933 510 H GLU 68 H GLU 68 -2.415 8.850 -7.057 511 HA GLU 68 HA GLU 68 -3.322 11.460 -7.576 512 HB2 GLU 68 2HB GLU 68 -4.975 8.918 -7.313 513 HB3 GLU 68 3HB GLU 68 -5.457 10.389 -8.163 514 HG2 GLU 68 2HG GLU 68 -3.656 10.054 -9.804 515 HG3 GLU 68 3HG GLU 68 -3.100 8.628 -8.934 516 H VAL 69 H VAL 69 -4.067 9.198 -4.989 517 HA VAL 69 HA VAL 69 -5.849 11.062 -3.635 518 HB VAL 69 HB VAL 69 -6.271 9.296 -2.014 519 HG11 VAL 69 1HG1 VAL 69 -7.321 7.666 -3.540 520 HG12 VAL 69 2HG1 VAL 69 -6.352 8.272 -4.881 521 HG13 VAL 69 3HG1 VAL 69 -7.558 9.313 -4.114 522 HG21 VAL 69 3HG2 VAL 69 -5.261 7.042 -2.229 523 HG22 VAL 69 1HG2 VAL 69 -4.042 8.259 -1.849 524 HG23 VAL 69 2HG2 VAL 69 -4.188 7.642 -3.498 525 H ALA 70 H ALA 70 -2.482 10.381 -3.513 526 HA ALA 70 HA ALA 70 -1.995 10.934 -0.734 527 HB1 ALA 70 3HB ALA 70 -0.434 9.582 -2.049 528 HB2 ALA 70 1HB ALA 70 0.382 10.981 -1.339 529 HB3 ALA 70 2HB ALA 70 -0.053 10.980 -3.052 530 H ARG 71 H ARG 71 -1.662 12.781 -3.728 531 HA ARG 71 HA ARG 71 -0.674 15.194 -2.613 532 HB2 ARG 71 2HB ARG 71 -1.259 16.191 -4.812 533 HB3 ARG 71 3HB ARG 71 -0.415 14.653 -4.981 534 HG2 ARG 71 2HG ARG 71 -2.639 13.543 -5.348 535 HG3 ARG 71 3HG ARG 71 -3.391 15.140 -5.333 536 HD2 ARG 71 2HD ARG 71 -2.052 15.802 -7.289 537 HD3 ARG 71 3HD ARG 71 -1.254 14.224 -7.283 538 HE ARG 71 HE ARG 71 -4.183 14.399 -7.621 539 HH11 ARG 71 1HH1 ARG 71 -1.066 13.418 -8.929 540 HH12 ARG 71 2HH1 ARG 71 -1.757 12.628 -10.310 541 HH21 ARG 71 1HH2 ARG 71 -5.074 13.342 -9.426 542 HH22 ARG 71 2HH2 ARG 71 -4.033 12.580 -10.587 543 H GLU 72 H GLU 72 -3.926 13.944 -2.961 544 HA GLU 72 HA GLU 72 -5.204 16.501 -2.363 545 HB2 GLU 72 2HB GLU 72 -6.334 13.753 -3.000 546 HB3 GLU 72 3HB GLU 72 -7.322 15.183 -2.692 547 HG2 GLU 72 2HG GLU 72 -6.352 16.314 -4.646 548 HG3 GLU 72 3HG GLU 72 -5.270 14.949 -4.922 549 H GLU 73 H GLU 73 -5.139 13.242 -0.883 550 HA GLU 73 HA GLU 73 -6.599 14.132 1.448 551 HB2 GLU 73 2HB GLU 73 -5.414 11.418 0.769 552 HB3 GLU 73 3HB GLU 73 -6.408 11.744 2.191 553 HG2 GLU 73 2HG GLU 73 -7.288 12.040 -0.695 554 HG3 GLU 73 3HG GLU 73 -7.689 10.692 0.366 555 H GLY 74 H GLY 74 -3.281 12.794 0.893 556 HA2 GLY 74 2HA GLY 74 -2.519 13.468 3.648 557 HA3 GLY 74 3HA GLY 74 -1.558 12.592 2.455 558 H THR 75 H THR 75 0.165 14.084 3.155 559 HA THR 75 HA THR 75 0.025 16.796 1.998 560 HB THR 75 HB THR 75 2.157 17.203 3.192 561 HG1 THR 75 HG1 THR 75 1.901 14.488 3.989 562 HG21 THR 75 3HG2 THR 75 1.352 17.075 5.513 563 HG22 THR 75 1HG2 THR 75 0.086 15.945 5.028 564 HG23 THR 75 2HG2 THR 75 0.057 17.610 4.441 565 H GLN 76 H GLN 76 2.379 17.410 1.048 566 HA GLN 76 HA GLN 76 2.792 15.855 -1.305 567 HB2 GLN 76 2HB GLN 76 3.190 18.354 -1.079 568 HB3 GLN 76 3HB GLN 76 4.653 17.985 -0.176 569 HG2 GLN 76 2HG GLN 76 5.515 16.758 -2.186 570 HG3 GLN 76 3HG GLN 76 4.079 17.269 -3.073 571 HE21 GLN 76 1HE2 GLN 76 5.289 18.398 -4.608 572 HE22 GLN 76 2HE2 GLN 76 6.086 19.887 -4.253 573 H LYS 77 H LYS 77 4.077 15.654 1.899 574 HA LYS 77 HA LYS 77 6.473 14.214 1.462 575 HB2 LYS 77 2HB LYS 77 5.905 15.179 3.647 576 HB3 LYS 77 3HB LYS 77 4.510 14.115 3.791 577 HG2 LYS 77 2HG LYS 77 6.023 12.147 3.889 578 HG3 LYS 77 3HG LYS 77 7.420 13.222 3.752 579 HD2 LYS 77 2HD LYS 77 6.795 14.306 5.881 580 HD3 LYS 77 3HD LYS 77 5.381 13.256 6.012 581 HE2 LYS 77 2HE LYS 77 6.861 11.286 6.159 582 HE3 LYS 77 3HE LYS 77 8.275 12.328 6.015 583 HZ1 LYS 77 3HZ LYS 77 6.284 12.444 8.203 584 HZ2 LYS 77 1HZ LYS 77 7.680 13.381 8.074 585 HZ3 LYS 77 2HZ LYS 77 7.801 11.710 8.312 586 H ASP 78 H ASP 78 3.144 13.089 2.114 587 HA ASP 78 HA ASP 78 3.440 10.320 1.867 588 HB2 ASP 78 2HB ASP 78 1.079 12.100 1.088 589 HB3 ASP 78 3HB ASP 78 0.988 10.353 1.239 590 H LEU 79 H LEU 79 2.596 12.740 -0.551 591 HA LEU 79 HA LEU 79 2.383 11.179 -2.841 592 HB2 LEU 79 2HB LEU 79 1.663 13.538 -2.645 593 HB3 LEU 79 3HB LEU 79 3.340 14.049 -2.526 594 HG LEU 79 HG LEU 79 3.726 13.218 -4.867 595 HD11 LEU 79 1HD1 LEU 79 0.728 12.774 -4.898 596 HD12 LEU 79 2HD1 LEU 79 1.969 11.520 -4.967 597 HD13 LEU 79 3HD1 LEU 79 1.811 12.671 -6.287 598 HD21 LEU 79 3HD2 LEU 79 3.241 15.590 -4.476 599 HD22 LEU 79 1HD2 LEU 79 1.509 15.272 -4.589 600 HD23 LEU 79 2HD2 LEU 79 2.543 15.049 -6.001 601 H SER 80 H SER 80 5.193 12.783 -1.412 602 HA SER 80 HA SER 80 7.062 12.385 -3.451 603 HB2 SER 80 2HB SER 80 7.356 14.030 -1.622 604 HB3 SER 80 3HB SER 80 7.522 12.718 -0.461 605 HG SER 80 HG SER 80 9.289 12.445 -2.516 606 H GLU 81 H GLU 81 6.199 10.390 -0.645 607 HA GLU 81 HA GLU 81 8.383 8.559 -0.915 608 HB2 GLU 81 2HB GLU 81 5.819 8.392 0.709 609 HB3 GLU 81 3HB GLU 81 7.160 7.254 0.849 610 HG2 GLU 81 2HG GLU 81 7.261 10.227 1.475 611 HG3 GLU 81 3HG GLU 81 7.179 8.918 2.651 612 H LEU 82 H LEU 82 5.050 8.599 -2.067 613 HA LEU 82 HA LEU 82 5.027 5.864 -2.993 614 HB2 LEU 82 2HB LEU 82 3.258 8.231 -3.671 615 HB3 LEU 82 3HB LEU 82 2.952 6.586 -4.216 616 HG LEU 82 HG LEU 82 3.057 7.435 -1.286 617 HD11 LEU 82 1HD1 LEU 82 0.650 6.850 -3.010 618 HD12 LEU 82 2HD1 LEU 82 1.126 8.426 -2.380 619 HD13 LEU 82 3HD1 LEU 82 0.631 7.151 -1.272 620 HD21 LEU 82 3HD2 LEU 82 2.203 4.798 -2.530 621 HD22 LEU 82 1HD2 LEU 82 2.111 5.216 -0.813 622 HD23 LEU 82 2HD2 LEU 82 3.679 5.079 -1.603 623 H GLN 83 H GLN 83 5.690 8.994 -4.501 624 HA GLN 83 HA GLN 83 6.147 8.102 -7.169 625 HB2 GLN 83 2HB GLN 83 7.146 10.549 -5.646 626 HB3 GLN 83 3HB GLN 83 7.399 10.303 -7.370 627 HG2 GLN 83 2HG GLN 83 5.017 10.421 -7.799 628 HG3 GLN 83 3HG GLN 83 4.667 10.465 -6.074 629 HE21 GLN 83 1HE2 GLN 83 6.744 12.345 -5.384 630 HE22 GLN 83 2HE2 GLN 83 6.257 13.882 -5.984 631 H ASP 84 H ASP 84 8.160 8.556 -4.341 632 HA ASP 84 HA ASP 84 10.718 7.944 -5.345 633 HB2 ASP 84 2HB ASP 84 10.348 9.059 -3.184 634 HB3 ASP 84 3HB ASP 84 9.499 7.657 -2.563 635 H ALA 85 H ALA 85 8.175 5.966 -3.888 636 HA ALA 85 HA ALA 85 9.661 3.568 -3.680 637 HB1 ALA 85 3HB ALA 85 7.512 2.556 -3.079 638 HB2 ALA 85 1HB ALA 85 6.659 3.995 -3.648 639 HB3 ALA 85 2HB ALA 85 7.735 4.100 -2.255 640 H LYS 86 H LYS 86 7.232 4.688 -6.074 641 HA LYS 86 HA LYS 86 7.256 2.281 -7.569 642 HB2 LYS 86 2HB LYS 86 6.047 3.450 -9.316 643 HB3 LYS 86 3HB LYS 86 5.400 3.885 -7.742 644 HG2 LYS 86 2HG LYS 86 6.531 6.038 -7.812 645 HG3 LYS 86 3HG LYS 86 7.306 5.614 -9.340 646 HD2 LYS 86 2HD LYS 86 4.314 5.931 -8.897 647 HD3 LYS 86 3HD LYS 86 5.371 7.115 -9.665 648 HE2 LYS 86 2HE LYS 86 5.872 5.439 -11.458 649 HE3 LYS 86 3HE LYS 86 4.710 4.339 -10.709 650 HZ1 LYS 86 3HZ LYS 86 3.770 5.591 -12.559 651 HZ2 LYS 86 1HZ LYS 86 4.073 7.047 -11.745 652 HZ3 LYS 86 2HZ LYS 86 2.968 5.937 -11.115 653 H LEU 87 H LEU 87 9.275 5.239 -7.820 654 HA LEU 87 HA LEU 87 10.367 4.540 -10.364 655 HB2 LEU 87 2HB LEU 87 11.917 6.340 -10.157 656 HB3 LEU 87 3HB LEU 87 10.395 6.863 -9.479 657 HG LEU 87 HG LEU 87 11.557 6.284 -7.158 658 HD11 LEU 87 1HD1 LEU 87 13.974 6.740 -7.119 659 HD12 LEU 87 2HD1 LEU 87 14.007 6.760 -8.886 660 HD13 LEU 87 3HD1 LEU 87 13.610 5.272 -8.022 661 HD21 LEU 87 3HD2 LEU 87 12.367 8.588 -6.978 662 HD22 LEU 87 1HD2 LEU 87 10.814 8.520 -7.809 663 HD23 LEU 87 2HD2 LEU 87 12.298 8.762 -8.734 664 H LYS 88 H LYS 88 11.426 3.839 -7.023 665 HA LYS 88 HA LYS 88 13.803 2.470 -7.911 666 HB2 LYS 88 2HB LYS 88 14.133 1.783 -5.582 667 HB3 LYS 88 3HB LYS 88 13.868 3.503 -5.753 668 HG2 LYS 88 2HG LYS 88 12.772 2.901 -3.772 669 HG3 LYS 88 3HG LYS 88 11.483 3.112 -4.955 670 HD2 LYS 88 2HD LYS 88 11.130 0.750 -5.134 671 HD3 LYS 88 3HD LYS 88 12.645 0.384 -4.307 672 HE2 LYS 88 2HE LYS 88 10.316 1.786 -2.965 673 HE3 LYS 88 3HE LYS 88 10.555 0.039 -2.938 674 HZ1 LYS 88 3HZ LYS 88 11.421 1.263 -0.988 675 HZ2 LYS 88 1HZ LYS 88 12.588 1.960 -1.989 676 HZ3 LYS 88 2HZ LYS 88 12.558 0.283 -1.762 677 H ALA 89 H ALA 89 10.493 1.413 -7.080 678 HA ALA 89 HA ALA 89 10.948 -1.341 -7.321 679 HB1 ALA 89 3HB ALA 89 8.382 0.221 -7.728 680 HB2 ALA 89 1HB ALA 89 8.984 -0.409 -6.193 681 HB3 ALA 89 2HB ALA 89 8.501 -1.523 -7.474 682 H GLU 90 H GLU 90 10.170 1.117 -9.768 683 HA GLU 90 HA GLU 90 10.065 -0.654 -12.001 684 HB2 GLU 90 2HB GLU 90 10.791 2.303 -11.826 685 HB3 GLU 90 3HB GLU 90 10.688 1.421 -13.350 686 HG2 GLU 90 2HG GLU 90 8.314 0.947 -12.944 687 HG3 GLU 90 3HG GLU 90 8.405 1.761 -11.388 688 H GLY 91 H GLY 91 12.655 1.096 -10.326 689 HA2 GLY 91 2HA GLY 91 14.821 0.259 -11.943 690 HA3 GLY 91 3HA GLY 91 14.917 0.929 -10.322 691 H LEU 92 H LEU 92 12.945 -1.576 -9.717 692 HA LEU 92 HA LEU 92 14.816 -3.477 -8.818 693 HB2 LEU 92 2HB LEU 92 11.902 -3.790 -9.598 694 HB3 LEU 92 3HB LEU 92 12.845 -5.137 -8.981 695 HG LEU 92 HG LEU 92 12.288 -2.567 -7.433 696 HD11 LEU 92 1HD1 LEU 92 10.237 -3.885 -7.761 697 HD12 LEU 92 2HD1 LEU 92 10.747 -3.916 -6.073 698 HD13 LEU 92 3HD1 LEU 92 11.038 -5.317 -7.110 699 HD21 LEU 92 3HD2 LEU 92 13.567 -5.166 -6.510 700 HD22 LEU 92 1HD2 LEU 92 13.188 -3.772 -5.490 701 HD23 LEU 92 2HD2 LEU 92 14.404 -3.634 -6.756 702 H GLU 93 H GLU 93 13.262 -3.043 -11.940 703 HA GLU 93 HA GLU 93 14.528 -5.258 -13.275 704 HB2 GLU 93 2HB GLU 93 13.370 -2.670 -14.425 705 HB3 GLU 93 3HB GLU 93 13.795 -4.107 -15.353 706 HG2 GLU 93 2HG GLU 93 11.593 -3.890 -13.272 707 HG3 GLU 93 3HG GLU 93 11.367 -3.951 -15.019 708 H HIS 94 H HIS 94 16.609 -4.834 -12.212 709 HA HIS 94 HA HIS 94 18.326 -2.843 -13.588 710 HB2 HIS 94 2HB HIS 94 19.710 -2.834 -11.458 711 HB3 HIS 94 3HB HIS 94 18.119 -2.112 -11.298 712 HD1 HIS 94 HD1 HIS 94 17.100 -2.677 -9.113 713 HD2 HIS 94 HD2 HIS 94 19.538 -5.763 -10.456 714 HE1 HIS 94 HE1 HIS 94 17.027 -4.424 -7.322 715 HE2 HIS 94 HE2 HIS 94 18.687 -6.165 -8.061 716 H HIS 95 H HIS 95 17.778 -5.307 -14.644 717 HA HIS 95 HA HIS 95 19.564 -7.409 -13.886 718 HB2 HIS 95 2HB HIS 95 17.389 -7.877 -14.923 719 HB3 HIS 95 3HB HIS 95 17.837 -6.971 -16.361 720 HD1 HIS 95 HD1 HIS 95 18.834 -8.308 -18.222 721 HD2 HIS 95 HD2 HIS 95 18.979 -10.329 -14.595 722 HE1 HIS 95 HE1 HIS 95 19.634 -10.625 -18.768 723 HE2 HIS 95 HE2 HIS 95 19.766 -11.810 -16.555 724 H HIS 96 H HIS 96 19.473 -5.098 -16.618 725 HA HIS 96 HA HIS 96 22.356 -5.011 -16.800 726 HB2 HIS 96 2HB HIS 96 21.808 -7.018 -18.210 727 HB3 HIS 96 3HB HIS 96 20.767 -6.017 -19.215 728 HD1 HIS 96 HD1 HIS 96 21.875 -4.916 -21.175 729 HD2 HIS 96 HD2 HIS 96 24.639 -6.194 -18.354 730 HE1 HIS 96 HE1 HIS 96 24.121 -4.530 -22.208 731 HE2 HIS 96 HE2 HIS 96 25.766 -5.449 -20.548 732 H HIS 97 H HIS 97 22.754 -2.888 -17.027 733 HA HIS 97 HA HIS 97 20.536 -1.064 -17.523 734 HB2 HIS 97 2HB HIS 97 23.345 -0.614 -16.434 735 HB3 HIS 97 3HB HIS 97 22.118 0.641 -16.561 736 HD1 HIS 97 HD1 HIS 97 23.348 -1.970 -14.333 737 HD2 HIS 97 HD2 HIS 97 19.813 0.154 -14.826 738 HE1 HIS 97 HE1 HIS 97 22.085 -2.262 -12.199 739 HE2 HIS 97 HE2 HIS 97 20.076 -0.779 -12.436 740 H HIS 98 H HIS 98 21.596 -2.316 -19.915 741 HA HIS 98 HA HIS 98 22.186 0.039 -21.500 742 HB2 HIS 98 2HB HIS 98 24.453 -0.766 -20.633 743 HB3 HIS 98 3HB HIS 98 24.204 -2.263 -21.517 744 HD1 HIS 98 HD1 HIS 98 25.552 1.092 -21.864 745 HD2 HIS 98 HD2 HIS 98 24.090 -1.811 -24.445 746 HE1 HIS 98 HE1 HIS 98 26.396 1.726 -24.135 747 HE2 HIS 98 HE2 HIS 98 25.349 0.057 -25.697 748 H HIS 99 H HIS 99 21.430 -0.204 -23.574 749 HA HIS 99 HA HIS 99 20.390 -2.860 -24.406 750 HB2 HIS 99 2HB HIS 99 18.666 -1.040 -24.105 751 HB3 HIS 99 3HB HIS 99 19.474 -0.094 -25.346 752 HD1 HIS 99 HD1 HIS 99 17.173 -2.970 -24.865 753 HD2 HIS 99 HD2 HIS 99 19.101 -1.066 -28.013 754 HE1 HIS 99 HE1 HIS 99 16.063 -3.823 -26.947 755 HE2 HIS 99 HE2 HIS 99 17.184 -2.593 -28.835 Start of MODEL 18 1 H1 GLU 1 1H GLU 1 -12.187 -0.407 19.916 2 H2 GLU 1 2H GLU 1 -13.278 -1.697 19.956 3 H3 GLU 1 3H GLU 1 -13.331 -0.591 18.681 4 HA GLU 1 HA GLU 1 -11.194 -1.283 17.900 5 HB2 GLU 1 2HB GLU 1 -10.368 -1.865 20.234 6 HB3 GLU 1 3HB GLU 1 -11.275 -3.365 20.151 7 HG2 GLU 1 2HG GLU 1 -9.054 -2.631 18.209 8 HG3 GLU 1 3HG GLU 1 -8.773 -3.508 19.708 9 H ASP 2 H ASP 2 -11.782 -2.240 16.037 10 HA ASP 2 HA ASP 2 -13.032 -4.841 15.960 11 HB2 ASP 2 2HB ASP 2 -14.940 -4.207 14.525 12 HB3 ASP 2 3HB ASP 2 -15.057 -3.412 16.084 13 HA PRO 3 HA PRO 3 -10.212 -4.931 12.518 14 HB2 PRO 3 2HB PRO 3 -10.815 -7.303 11.384 15 HB3 PRO 3 3HB PRO 3 -10.222 -7.226 13.048 16 HG2 PRO 3 2HG PRO 3 -13.066 -7.458 12.066 17 HG3 PRO 3 3HG PRO 3 -12.240 -8.418 13.315 18 HD2 PRO 3 2HD PRO 3 -13.859 -6.279 13.897 19 HD3 PRO 3 3HD PRO 3 -12.497 -6.761 14.931 20 H GLU 4 H GLU 4 -13.347 -4.088 12.068 21 HA GLU 4 HA GLU 4 -13.446 -4.156 9.143 22 HB2 GLU 4 2HB GLU 4 -15.419 -3.023 11.176 23 HB3 GLU 4 3HB GLU 4 -15.721 -3.214 9.449 24 HG2 GLU 4 2HG GLU 4 -15.493 -5.691 9.723 25 HG3 GLU 4 3HG GLU 4 -15.259 -5.449 11.455 26 H ASP 5 H ASP 5 -12.804 -1.995 11.793 27 HA ASP 5 HA ASP 5 -12.976 0.514 10.535 28 HB2 ASP 5 2HB ASP 5 -12.809 0.300 12.983 29 HB3 ASP 5 3HB ASP 5 -11.207 -0.410 12.847 30 HA PRO 6 HA PRO 6 -9.791 0.239 7.428 31 HB2 PRO 6 2HB PRO 6 -9.444 3.193 7.951 32 HB3 PRO 6 3HB PRO 6 -9.663 2.342 6.413 33 HG2 PRO 6 2HG PRO 6 -11.709 3.649 7.513 34 HG3 PRO 6 3HG PRO 6 -11.970 2.060 6.756 35 HD2 PRO 6 2HD PRO 6 -11.771 2.756 9.685 36 HD3 PRO 6 3HD PRO 6 -12.848 1.603 8.870 37 H PHE 7 H PHE 7 -8.794 2.503 10.048 38 HA PHE 7 HA PHE 7 -6.034 2.024 9.768 39 HB2 PHE 7 2HB PHE 7 -6.944 4.045 10.875 40 HB3 PHE 7 3HB PHE 7 -7.490 3.065 12.234 41 HD1 PHE 7 HD2 PHE 7 -4.396 4.059 10.353 42 HD2 PHE 7 HD1 PHE 7 -5.996 2.658 14.068 43 HE1 PHE 7 HE2 PHE 7 -2.191 4.320 11.406 44 HE2 PHE 7 HE1 PHE 7 -3.781 2.917 15.109 45 HZ PHE 7 HZ PHE 7 -1.883 3.751 13.786 46 H THR 8 H THR 8 -8.450 0.369 11.784 47 HA THR 8 HA THR 8 -6.596 -0.875 13.549 48 HB THR 8 HB THR 8 -9.431 -1.765 12.863 49 HG1 THR 8 HG1 THR 8 -9.256 0.390 13.675 50 HG21 THR 8 3HG2 THR 8 -9.410 -2.859 15.083 51 HG22 THR 8 1HG2 THR 8 -7.725 -2.385 15.312 52 HG23 THR 8 2HG2 THR 8 -8.156 -3.537 14.050 53 H ARG 9 H ARG 9 -8.225 -2.020 10.573 54 HA ARG 9 HA ARG 9 -6.995 -4.637 10.570 55 HB2 ARG 9 2HB ARG 9 -8.097 -4.922 8.390 56 HB3 ARG 9 3HB ARG 9 -9.216 -4.262 9.575 57 HG2 ARG 9 2HG ARG 9 -8.494 -1.946 8.537 58 HG3 ARG 9 3HG ARG 9 -8.004 -2.935 7.164 59 HD2 ARG 9 2HD ARG 9 -10.782 -2.850 8.381 60 HD3 ARG 9 3HD ARG 9 -10.286 -2.011 6.912 61 HE ARG 9 HE ARG 9 -9.756 -4.744 6.591 62 HH11 ARG 9 1HH1 ARG 9 -12.564 -2.621 6.927 63 HH12 ARG 9 2HH1 ARG 9 -13.588 -3.663 5.991 64 HH21 ARG 9 1HH2 ARG 9 -11.131 -6.040 5.331 65 HH22 ARG 9 2HH2 ARG 9 -12.773 -5.557 5.081 66 H TYR 10 H TYR 10 -6.247 -1.498 9.223 67 HA TYR 10 HA TYR 10 -4.176 -2.135 7.402 68 HB2 TYR 10 2HB TYR 10 -5.115 0.068 7.354 69 HB3 TYR 10 3HB TYR 10 -4.830 0.321 9.066 70 HD1 TYR 10 HD2 TYR 10 -2.916 -0.250 5.869 71 HD2 TYR 10 HD1 TYR 10 -2.995 1.668 9.692 72 HE1 TYR 10 HE2 TYR 10 -0.836 0.937 5.324 73 HE2 TYR 10 HE1 TYR 10 -0.918 2.849 9.138 74 HH TYR 10 HH TYR 10 0.998 2.595 7.644 75 H ALA 11 H ALA 11 -4.056 -1.156 10.804 76 HA ALA 11 HA ALA 11 -1.291 -1.473 11.262 77 HB1 ALA 11 3HB ALA 11 -2.746 -0.091 12.696 78 HB2 ALA 11 1HB ALA 11 -1.895 -1.308 13.652 79 HB3 ALA 11 2HB ALA 11 -3.596 -1.535 13.243 80 H LEU 12 H LEU 12 -4.057 -3.631 11.570 81 HA LEU 12 HA LEU 12 -2.779 -5.797 12.893 82 HB2 LEU 12 2HB LEU 12 -5.236 -5.473 12.868 83 HB3 LEU 12 3HB LEU 12 -5.264 -5.759 11.136 84 HG LEU 12 HG LEU 12 -4.515 -8.110 11.525 85 HD11 LEU 12 1HD1 LEU 12 -3.278 -7.852 13.606 86 HD12 LEU 12 2HD1 LEU 12 -4.532 -9.075 13.789 87 HD13 LEU 12 3HD1 LEU 12 -4.766 -7.468 14.475 88 HD21 LEU 12 3HD2 LEU 12 -6.911 -7.618 11.309 89 HD22 LEU 12 1HD2 LEU 12 -7.031 -7.364 13.054 90 HD23 LEU 12 2HD2 LEU 12 -6.633 -8.960 12.414 91 H ALA 13 H ALA 13 -3.224 -4.900 9.509 92 HA ALA 13 HA ALA 13 -2.325 -7.309 8.302 93 HB1 ALA 13 3HB ALA 13 -2.380 -4.490 7.184 94 HB2 ALA 13 1HB ALA 13 -3.685 -5.672 7.086 95 HB3 ALA 13 2HB ALA 13 -2.165 -5.967 6.241 96 H GLN 14 H GLN 14 -0.692 -4.247 9.158 97 HA GLN 14 HA GLN 14 1.911 -4.834 8.341 98 HB2 GLN 14 2HB GLN 14 0.935 -3.186 10.705 99 HB3 GLN 14 3HB GLN 14 2.610 -3.202 10.153 100 HG2 GLN 14 2HG GLN 14 1.943 -2.266 7.989 101 HG3 GLN 14 3HG GLN 14 0.245 -2.324 8.464 102 HE21 GLN 14 1HE2 GLN 14 3.340 -0.777 9.100 103 HE22 GLN 14 2HE2 GLN 14 2.690 0.637 9.855 104 H GLU 15 H GLU 15 0.202 -5.810 11.284 105 HA GLU 15 HA GLU 15 2.461 -7.088 12.537 106 HB2 GLU 15 2HB GLU 15 -0.525 -7.458 13.017 107 HB3 GLU 15 3HB GLU 15 0.761 -8.044 14.080 108 HG2 GLU 15 2HG GLU 15 1.477 -5.722 14.496 109 HG3 GLU 15 3HG GLU 15 0.220 -5.126 13.419 110 H HIS 16 H HIS 16 -0.174 -8.175 10.406 111 HA HIS 16 HA HIS 16 0.307 -10.948 10.470 112 HB2 HIS 16 2HB HIS 16 -0.945 -9.184 8.335 113 HB3 HIS 16 3HB HIS 16 -0.767 -10.919 8.093 114 HD1 HIS 16 HD1 HIS 16 -1.753 -12.211 10.531 115 HD2 HIS 16 HD2 HIS 16 -3.519 -8.740 9.091 116 HE1 HIS 16 HE1 HIS 16 -4.051 -12.173 11.512 117 HE2 HIS 16 HE2 HIS 16 -5.163 -10.188 10.451 118 H LEU 17 H LEU 17 1.786 -8.383 8.525 119 HA LEU 17 HA LEU 17 3.378 -9.823 6.761 120 HB2 LEU 17 2HB LEU 17 3.936 -7.214 8.223 121 HB3 LEU 17 3HB LEU 17 4.966 -7.817 6.933 122 HG LEU 17 HG LEU 17 2.023 -7.099 6.593 123 HD11 LEU 17 1HD1 LEU 17 2.791 -5.118 5.357 124 HD12 LEU 17 2HD1 LEU 17 4.469 -5.515 5.738 125 HD13 LEU 17 3HD1 LEU 17 3.351 -5.075 7.030 126 HD21 LEU 17 3HD2 LEU 17 4.133 -7.855 4.552 127 HD22 LEU 17 1HD2 LEU 17 2.489 -7.325 4.191 128 HD23 LEU 17 2HD2 LEU 17 2.753 -8.840 5.048 129 H LYS 18 H LYS 18 4.034 -8.890 10.108 130 HA LYS 18 HA LYS 18 6.740 -9.827 10.166 131 HB2 LYS 18 2HB LYS 18 4.914 -9.101 12.494 132 HB3 LYS 18 3HB LYS 18 6.675 -9.217 12.551 133 HG2 LYS 18 2HG LYS 18 6.798 -7.330 10.901 134 HG3 LYS 18 3HG LYS 18 5.041 -7.192 10.979 135 HD2 LYS 18 2HD LYS 18 6.003 -5.495 12.418 136 HD3 LYS 18 3HD LYS 18 5.230 -6.710 13.440 137 HE2 LYS 18 2HE LYS 18 7.432 -7.729 13.897 138 HE3 LYS 18 3HE LYS 18 8.206 -6.538 12.850 139 HZ1 LYS 18 3HZ LYS 18 6.748 -5.967 15.369 140 HZ2 LYS 18 1HZ LYS 18 7.435 -4.800 14.358 141 HZ3 LYS 18 2HZ LYS 18 8.422 -5.924 15.147 142 H HIS 19 H HIS 19 3.632 -11.211 10.934 143 HA HIS 19 HA HIS 19 4.796 -13.620 12.186 144 HB2 HIS 19 2HB HIS 19 1.931 -12.632 11.909 145 HB3 HIS 19 3HB HIS 19 2.337 -14.218 12.563 146 HD1 HIS 19 HD1 HIS 19 2.825 -14.324 15.005 147 HD2 HIS 19 HD2 HIS 19 3.090 -10.445 13.543 148 HE1 HIS 19 HE1 HIS 19 3.112 -12.860 17.021 149 HE2 HIS 19 HE2 HIS 19 3.183 -10.512 16.113 150 H ASP 20 H ASP 20 4.641 -12.755 9.152 151 HA ASP 20 HA ASP 20 4.897 -13.827 7.204 152 HB2 ASP 20 2HB ASP 20 6.161 -15.520 8.528 153 HB3 ASP 20 3HB ASP 20 4.675 -16.415 8.803 154 H ASN 21 H ASN 21 2.062 -13.629 8.725 155 HA ASN 21 HA ASN 21 0.357 -15.064 6.844 156 HB2 ASN 21 2HB ASN 21 -0.215 -13.056 9.075 157 HB3 ASN 21 3HB ASN 21 -1.482 -13.686 8.032 158 HD21 ASN 21 1HD2 ASN 21 -0.638 -16.393 7.877 159 HD22 ASN 21 2HD2 ASN 21 -0.868 -17.089 9.436 160 H ALA 22 H ALA 22 2.012 -13.724 5.269 161 HA ALA 22 HA ALA 22 1.522 -10.980 4.791 162 HB1 ALA 22 3HB ALA 22 2.862 -13.028 2.993 163 HB2 ALA 22 1HB ALA 22 3.664 -12.068 4.238 164 HB3 ALA 22 2HB ALA 22 2.963 -11.274 2.828 165 H SER 23 H SER 23 0.178 -13.955 3.384 166 HA SER 23 HA SER 23 -1.360 -12.850 1.327 167 HB2 SER 23 2HB SER 23 -2.052 -15.267 3.046 168 HB3 SER 23 3HB SER 23 -2.720 -14.897 1.455 169 HG SER 23 HG SER 23 -0.638 -15.139 0.592 170 H ARG 24 H ARG 24 -2.211 -13.280 4.803 171 HA ARG 24 HA ARG 24 -4.813 -12.154 4.643 172 HB2 ARG 24 2HB ARG 24 -2.877 -12.800 6.875 173 HB3 ARG 24 3HB ARG 24 -4.234 -11.748 7.249 174 HG2 ARG 24 2HG ARG 24 -4.475 -14.553 6.109 175 HG3 ARG 24 3HG ARG 24 -4.706 -14.107 7.805 176 HD2 ARG 24 2HD ARG 24 -6.541 -12.584 7.126 177 HD3 ARG 24 3HD ARG 24 -6.355 -13.112 5.454 178 HE ARG 24 HE ARG 24 -6.836 -15.294 7.250 179 HH11 ARG 24 1HH1 ARG 24 -8.453 -12.739 5.435 180 HH12 ARG 24 2HH1 ARG 24 -9.994 -13.534 5.462 181 HH21 ARG 24 1HH2 ARG 24 -8.899 -16.291 7.315 182 HH22 ARG 24 2HH2 ARG 24 -10.245 -15.530 6.524 183 H ALA 25 H ALA 25 -1.617 -10.789 5.244 184 HA ALA 25 HA ALA 25 -2.394 -8.140 5.931 185 HB1 ALA 25 3HB ALA 25 0.184 -9.152 4.676 186 HB2 ALA 25 1HB ALA 25 -0.152 -9.056 6.407 187 HB3 ALA 25 2HB ALA 25 -0.042 -7.579 5.451 188 H LEU 26 H LEU 26 -1.609 -9.779 2.927 189 HA LEU 26 HA LEU 26 -1.496 -7.567 1.167 190 HB2 LEU 26 2HB LEU 26 -0.567 -9.903 0.732 191 HB3 LEU 26 3HB LEU 26 -2.211 -10.448 0.468 192 HG LEU 26 HG LEU 26 -2.362 -8.809 -1.467 193 HD11 LEU 26 1HD1 LEU 26 -0.305 -7.897 -2.408 194 HD12 LEU 26 2HD1 LEU 26 0.625 -8.519 -1.049 195 HD13 LEU 26 3HD1 LEU 26 -0.586 -7.262 -0.792 196 HD21 LEU 26 3HD2 LEU 26 -1.942 -11.200 -1.868 197 HD22 LEU 26 1HD2 LEU 26 -0.204 -10.946 -1.676 198 HD23 LEU 26 2HD2 LEU 26 -1.065 -10.211 -3.032 199 H ALA 27 H ALA 27 -3.972 -9.970 1.892 200 HA ALA 27 HA ALA 27 -6.084 -9.095 0.323 201 HB1 ALA 27 3HB ALA 27 -7.524 -10.384 1.844 202 HB2 ALA 27 1HB ALA 27 -6.220 -10.454 3.034 203 HB3 ALA 27 2HB ALA 27 -6.040 -11.266 1.475 204 H LEU 28 H LEU 28 -5.335 -8.211 3.722 205 HA LEU 28 HA LEU 28 -7.569 -6.546 4.170 206 HB2 LEU 28 2HB LEU 28 -4.851 -6.672 5.510 207 HB3 LEU 28 3HB LEU 28 -6.052 -5.492 6.014 208 HG LEU 28 HG LEU 28 -6.398 -8.521 6.132 209 HD11 LEU 28 1HD1 LEU 28 -6.006 -6.510 8.372 210 HD12 LEU 28 2HD1 LEU 28 -4.825 -7.702 7.827 211 HD13 LEU 28 3HD1 LEU 28 -6.327 -8.235 8.578 212 HD21 LEU 28 3HD2 LEU 28 -8.506 -8.049 7.325 213 HD22 LEU 28 1HD2 LEU 28 -8.549 -7.419 5.681 214 HD23 LEU 28 2HD2 LEU 28 -8.296 -6.322 7.041 215 H PHE 29 H PHE 29 -4.342 -5.780 2.918 216 HA PHE 29 HA PHE 29 -4.746 -2.962 2.746 217 HB2 PHE 29 2HB PHE 29 -2.750 -4.782 1.354 218 HB3 PHE 29 3HB PHE 29 -2.746 -3.036 1.187 219 HD1 PHE 29 HD2 PHE 29 -3.225 -2.196 4.049 220 HD2 PHE 29 HD1 PHE 29 -0.672 -5.213 2.404 221 HE1 PHE 29 HE2 PHE 29 -1.712 -1.992 5.980 222 HE2 PHE 29 HE1 PHE 29 0.832 -4.994 4.337 223 HZ PHE 29 HZ PHE 29 0.314 -3.387 6.129 224 H GLU 30 H GLU 30 -5.025 -5.595 0.321 225 HA GLU 30 HA GLU 30 -5.765 -4.061 -1.906 226 HB2 GLU 30 2HB GLU 30 -6.461 -6.942 -1.202 227 HB3 GLU 30 3HB GLU 30 -6.781 -6.220 -2.777 228 HG2 GLU 30 2HG GLU 30 -4.385 -5.861 -3.135 229 HG3 GLU 30 3HG GLU 30 -4.030 -6.499 -1.534 230 H GLU 31 H GLU 31 -7.691 -5.357 0.743 231 HA GLU 31 HA GLU 31 -10.278 -4.690 -0.178 232 HB2 GLU 31 2HB GLU 31 -9.080 -5.131 2.585 233 HB3 GLU 31 3HB GLU 31 -10.769 -4.682 2.391 234 HG2 GLU 31 2HG GLU 31 -11.240 -6.720 1.175 235 HG3 GLU 31 3HG GLU 31 -9.534 -7.124 1.084 236 H LEU 32 H LEU 32 -8.029 -2.995 2.008 237 HA LEU 32 HA LEU 32 -9.519 -0.711 2.505 238 HB2 LEU 32 2HB LEU 32 -6.536 -1.178 2.451 239 HB3 LEU 32 3HB LEU 32 -7.219 0.358 2.960 240 HG LEU 32 HG LEU 32 -7.859 -2.295 4.300 241 HD11 LEU 32 1HD1 LEU 32 -5.889 -0.176 5.211 242 HD12 LEU 32 2HD1 LEU 32 -5.484 -1.787 4.619 243 HD13 LEU 32 3HD1 LEU 32 -6.375 -1.606 6.126 244 HD21 LEU 32 3HD2 LEU 32 -8.792 -0.891 6.087 245 HD22 LEU 32 1HD2 LEU 32 -9.623 -0.627 4.557 246 HD23 LEU 32 2HD2 LEU 32 -8.453 0.559 5.142 247 H VAL 33 H VAL 33 -7.264 -1.281 -0.230 248 HA VAL 33 HA VAL 33 -7.345 1.296 -1.356 249 HB VAL 33 HB VAL 33 -6.781 -1.450 -2.569 250 HG11 VAL 33 1HG1 VAL 33 -5.850 -0.311 -4.579 251 HG12 VAL 33 2HG1 VAL 33 -6.515 1.222 -4.004 252 HG13 VAL 33 3HG1 VAL 33 -7.595 -0.103 -4.435 253 HG21 VAL 33 3HG2 VAL 33 -4.955 0.882 -1.860 254 HG22 VAL 33 1HG2 VAL 33 -4.434 -0.643 -2.585 255 HG23 VAL 33 2HG2 VAL 33 -5.122 -0.628 -0.965 256 H GLU 34 H GLU 34 -9.260 -1.624 -2.251 257 HA GLU 34 HA GLU 34 -10.812 -0.261 -4.216 258 HB2 GLU 34 2HB GLU 34 -12.126 -2.322 -4.387 259 HB3 GLU 34 3HB GLU 34 -10.404 -2.679 -4.329 260 HG2 GLU 34 2HG GLU 34 -10.604 -3.305 -1.946 261 HG3 GLU 34 3HG GLU 34 -12.323 -2.934 -1.992 262 H THR 35 H THR 35 -11.344 -0.723 -0.739 263 HA THR 35 HA THR 35 -14.187 -0.124 -0.889 264 HB THR 35 HB THR 35 -14.145 -0.423 1.590 265 HG1 THR 35 HG1 THR 35 -12.301 -0.566 2.680 266 HG21 THR 35 3HG2 THR 35 -13.554 -2.822 1.678 267 HG22 THR 35 1HG2 THR 35 -12.679 -2.676 0.153 268 HG23 THR 35 2HG2 THR 35 -14.431 -2.457 0.192 269 H ASP 36 H ASP 36 -11.167 1.353 0.195 270 HA ASP 36 HA ASP 36 -12.483 3.987 0.459 271 HB2 ASP 36 2HB ASP 36 -11.999 2.794 2.730 272 HB3 ASP 36 3HB ASP 36 -10.302 3.087 2.393 273 HA PRO 37 HA PRO 37 -8.907 4.003 -2.480 274 HB2 PRO 37 2HB PRO 37 -9.879 5.841 -4.247 275 HB3 PRO 37 3HB PRO 37 -10.430 4.160 -4.230 276 HG2 PRO 37 2HG PRO 37 -11.741 6.590 -3.015 277 HG3 PRO 37 3HG PRO 37 -12.469 5.283 -3.977 278 HD2 PRO 37 2HD PRO 37 -12.593 5.354 -1.244 279 HD3 PRO 37 3HD PRO 37 -12.569 3.831 -2.160 280 H ASP 38 H ASP 38 -10.130 6.424 -0.399 281 HA ASP 38 HA ASP 38 -7.961 8.345 -1.022 282 HB2 ASP 38 2HB ASP 38 -9.303 9.989 0.240 283 HB3 ASP 38 3HB ASP 38 -10.252 9.267 -1.050 284 H TYR 39 H TYR 39 -7.674 5.749 0.490 285 HA TYR 39 HA TYR 39 -6.696 6.769 3.101 286 HB2 TYR 39 2HB TYR 39 -8.387 4.792 3.068 287 HB3 TYR 39 3HB TYR 39 -7.098 3.832 2.364 288 HD1 TYR 39 HD2 TYR 39 -5.072 3.284 3.725 289 HD2 TYR 39 HD1 TYR 39 -8.355 5.403 5.438 290 HE1 TYR 39 HE2 TYR 39 -4.215 2.792 5.960 291 HE2 TYR 39 HE1 TYR 39 -7.485 4.923 7.683 292 HH TYR 39 HH TYR 39 -4.361 3.677 8.217 293 H VAL 40 H VAL 40 -4.692 7.566 2.434 294 HA VAL 40 HA VAL 40 -3.205 6.526 0.251 295 HB VAL 40 HB VAL 40 -2.340 8.497 2.418 296 HG11 VAL 40 1HG1 VAL 40 -0.384 7.641 1.218 297 HG12 VAL 40 2HG1 VAL 40 -0.686 9.317 0.763 298 HG13 VAL 40 3HG1 VAL 40 -1.139 8.013 -0.335 299 HG21 VAL 40 3HG2 VAL 40 -4.380 9.248 1.265 300 HG22 VAL 40 1HG2 VAL 40 -3.601 9.029 -0.304 301 HG23 VAL 40 2HG2 VAL 40 -3.012 10.263 0.812 302 H GLY 41 H GLY 41 -2.941 6.063 3.733 303 HA2 GLY 41 2HA GLY 41 -0.317 5.177 4.054 304 HA3 GLY 41 3HA GLY 41 -1.663 4.727 5.084 305 H THR 42 H THR 42 -3.177 3.342 3.140 306 HA THR 42 HA THR 42 -2.163 0.740 3.371 307 HB THR 42 HB THR 42 -4.351 1.904 1.607 308 HG1 THR 42 HG1 THR 42 -5.632 1.340 3.258 309 HG21 THR 42 3HG2 THR 42 -5.154 -0.412 1.312 310 HG22 THR 42 1HG2 THR 42 -3.716 -1.023 2.135 311 HG23 THR 42 2HG2 THR 42 -3.565 -0.194 0.584 312 H TYR 43 H TYR 43 -2.090 3.037 0.638 313 HA TYR 43 HA TYR 43 -1.506 1.231 -1.418 314 HB2 TYR 43 2HB TYR 43 -0.979 4.213 -1.161 315 HB3 TYR 43 3HB TYR 43 -0.639 3.320 -2.643 316 HD1 TYR 43 HD2 TYR 43 -2.507 2.291 -3.934 317 HD2 TYR 43 HD1 TYR 43 -3.293 4.819 -0.587 318 HE1 TYR 43 HE2 TYR 43 -4.807 2.584 -4.700 319 HE2 TYR 43 HE1 TYR 43 -5.609 5.107 -1.364 320 HH TYR 43 HH TYR 43 -6.821 4.963 -3.551 321 H TYR 44 H TYR 44 0.742 3.351 0.359 322 HA TYR 44 HA TYR 44 3.151 2.578 -0.668 323 HB2 TYR 44 2HB TYR 44 2.698 4.455 0.948 324 HB3 TYR 44 3HB TYR 44 2.587 3.275 2.251 325 HD1 TYR 44 HD2 TYR 44 4.951 4.375 -0.470 326 HD2 TYR 44 HD1 TYR 44 4.564 2.865 3.512 327 HE1 TYR 44 HE2 TYR 44 7.377 4.564 -0.158 328 HE2 TYR 44 HE1 TYR 44 6.992 3.056 3.815 329 HH TYR 44 HH TYR 44 8.956 4.843 1.840 330 H HIS 45 H HIS 45 1.400 1.052 1.993 331 HA HIS 45 HA HIS 45 3.543 -0.792 2.659 332 HB2 HIS 45 2HB HIS 45 0.705 -0.511 3.735 333 HB3 HIS 45 3HB HIS 45 1.853 -1.710 4.329 334 HD1 HIS 45 HD1 HIS 45 3.011 -0.954 6.377 335 HD2 HIS 45 HD2 HIS 45 2.078 2.246 3.908 336 HE1 HIS 45 HE1 HIS 45 3.822 1.088 7.583 337 HE2 HIS 45 HE2 HIS 45 3.042 3.015 6.166 338 H LEU 46 H LEU 46 0.611 -0.907 0.786 339 HA LEU 46 HA LEU 46 0.413 -3.734 0.441 340 HB2 LEU 46 2HB LEU 46 -1.544 -2.288 0.112 341 HB3 LEU 46 3HB LEU 46 -0.731 -1.422 -1.177 342 HG LEU 46 HG LEU 46 -0.810 -3.406 -2.626 343 HD11 LEU 46 1HD1 LEU 46 -1.957 -5.459 -2.032 344 HD12 LEU 46 2HD1 LEU 46 -2.273 -4.859 -0.408 345 HD13 LEU 46 3HD1 LEU 46 -0.616 -5.176 -0.926 346 HD21 LEU 46 3HD2 LEU 46 -3.223 -3.545 -3.019 347 HD22 LEU 46 1HD2 LEU 46 -2.720 -1.882 -2.710 348 HD23 LEU 46 2HD2 LEU 46 -3.535 -2.806 -1.445 349 H GLY 47 H GLY 47 1.893 -1.064 -1.374 350 HA2 GLY 47 2HA GLY 47 2.611 -2.573 -3.695 351 HA3 GLY 47 3HA GLY 47 3.156 -0.965 -3.258 352 H LYS 48 H LYS 48 4.281 -1.534 -0.727 353 HA LYS 48 HA LYS 48 6.873 -2.463 -1.347 354 HB2 LYS 48 2HB LYS 48 5.505 -2.053 1.341 355 HB3 LYS 48 3HB LYS 48 7.182 -2.582 1.212 356 HG2 LYS 48 2HG LYS 48 6.034 0.052 0.234 357 HG3 LYS 48 3HG LYS 48 7.107 -0.189 1.617 358 HD2 LYS 48 2HD LYS 48 8.854 -1.056 -0.013 359 HD3 LYS 48 3HD LYS 48 7.780 -0.580 -1.331 360 HE2 LYS 48 2HE LYS 48 9.433 1.148 -1.046 361 HE3 LYS 48 3HE LYS 48 7.895 1.789 -0.455 362 HZ1 LYS 48 3HZ LYS 48 9.615 2.336 1.092 363 HZ2 LYS 48 1HZ LYS 48 10.136 0.728 1.176 364 HZ3 LYS 48 2HZ LYS 48 8.634 1.162 1.809 365 H LEU 49 H LEU 49 4.053 -4.088 0.008 366 HA LEU 49 HA LEU 49 5.377 -6.583 0.556 367 HB2 LEU 49 2HB LEU 49 3.306 -5.981 1.711 368 HB3 LEU 49 3HB LEU 49 2.431 -5.950 0.190 369 HG LEU 49 HG LEU 49 2.646 -8.377 -0.057 370 HD11 LEU 49 1HD1 LEU 49 4.857 -8.756 0.905 371 HD12 LEU 49 2HD1 LEU 49 3.672 -9.805 1.671 372 HD13 LEU 49 3HD1 LEU 49 4.256 -8.375 2.521 373 HD21 LEU 49 3HD2 LEU 49 1.675 -7.619 2.721 374 HD22 LEU 49 1HD2 LEU 49 1.271 -9.106 1.858 375 HD23 LEU 49 2HD2 LEU 49 0.735 -7.549 1.231 376 H TYR 50 H TYR 50 3.564 -5.266 -2.206 377 HA TYR 50 HA TYR 50 3.510 -7.545 -3.866 378 HB2 TYR 50 2HB TYR 50 3.442 -4.574 -4.445 379 HB3 TYR 50 3HB TYR 50 3.516 -5.720 -5.774 380 HD1 TYR 50 HD1 TYR 50 1.663 -7.859 -4.678 381 HD2 TYR 50 HD2 TYR 50 1.287 -3.608 -4.801 382 HE1 TYR 50 HE1 TYR 50 -0.777 -8.076 -4.793 383 HE2 TYR 50 HE2 TYR 50 -1.154 -3.830 -4.903 384 HH TYR 50 HH TYR 50 -2.768 -6.744 -4.284 385 H GLU 51 H GLU 51 6.016 -5.050 -3.428 386 HA GLU 51 HA GLU 51 7.829 -5.733 -5.450 387 HB2 GLU 51 2HB GLU 51 8.421 -4.711 -2.643 388 HB3 GLU 51 3HB GLU 51 9.599 -4.757 -3.949 389 HG2 GLU 51 2HG GLU 51 8.196 -3.143 -5.228 390 HG3 GLU 51 3HG GLU 51 7.084 -3.067 -3.862 391 H ARG 52 H ARG 52 7.316 -7.119 -2.271 392 HA ARG 52 HA ARG 52 9.654 -8.823 -2.257 393 HB2 ARG 52 2HB ARG 52 7.249 -8.800 -0.380 394 HB3 ARG 52 3HB ARG 52 8.816 -9.543 -0.061 395 HG2 ARG 52 2HG ARG 52 9.901 -7.400 0.091 396 HG3 ARG 52 3HG ARG 52 8.477 -6.568 -0.535 397 HD2 ARG 52 2HD ARG 52 7.240 -7.390 1.547 398 HD3 ARG 52 3HD ARG 52 8.823 -7.873 2.176 399 HE ARG 52 HE ARG 52 8.724 -5.143 1.271 400 HH11 ARG 52 1HH1 ARG 52 8.151 -7.229 4.035 401 HH12 ARG 52 2HH1 ARG 52 8.195 -5.926 5.178 402 HH21 ARG 52 1HH2 ARG 52 8.800 -3.452 2.768 403 HH22 ARG 52 2HH2 ARG 52 8.583 -3.787 4.458 404 H LEU 53 H LEU 53 6.226 -9.148 -2.986 405 HA LEU 53 HA LEU 53 6.291 -12.055 -3.234 406 HB2 LEU 53 2HB LEU 53 4.099 -10.018 -3.750 407 HB3 LEU 53 3HB LEU 53 3.876 -11.759 -3.850 408 HG LEU 53 HG LEU 53 4.583 -10.214 -1.318 409 HD11 LEU 53 1HD1 LEU 53 2.279 -9.793 -2.013 410 HD12 LEU 53 2HD1 LEU 53 2.319 -10.782 -0.557 411 HD13 LEU 53 3HD1 LEU 53 1.970 -11.529 -2.117 412 HD21 LEU 53 3HD2 LEU 53 4.232 -12.348 -0.136 413 HD22 LEU 53 1HD2 LEU 53 5.573 -12.459 -1.270 414 HD23 LEU 53 2HD2 LEU 53 4.015 -13.179 -1.674 415 H ASP 54 H ASP 54 7.659 -9.920 -5.160 416 HA ASP 54 HA ASP 54 8.335 -9.804 -7.304 417 HB2 ASP 54 2HB ASP 54 8.562 -12.324 -6.988 418 HB3 ASP 54 3HB ASP 54 6.982 -12.509 -7.732 419 H ARG 55 H ARG 55 5.420 -9.180 -6.415 420 HA ARG 55 HA ARG 55 3.950 -9.111 -8.948 421 HB2 ARG 55 2HB ARG 55 3.133 -8.319 -6.113 422 HB3 ARG 55 3HB ARG 55 2.056 -8.326 -7.504 423 HG2 ARG 55 2HG ARG 55 3.402 -10.769 -6.301 424 HG3 ARG 55 3HG ARG 55 1.719 -10.293 -6.053 425 HD2 ARG 55 2HD ARG 55 2.997 -11.116 -8.683 426 HD3 ARG 55 3HD ARG 55 1.855 -12.068 -7.725 427 HE ARG 55 HE ARG 55 0.718 -9.559 -8.360 428 HH11 ARG 55 1HH1 ARG 55 1.529 -12.586 -9.988 429 HH12 ARG 55 2HH1 ARG 55 0.305 -12.372 -11.195 430 HH21 ARG 55 1HH2 ARG 55 -0.805 -9.288 -9.960 431 HH22 ARG 55 2HH2 ARG 55 -1.010 -10.505 -11.182 432 H THR 56 H THR 56 6.147 -7.568 -9.129 433 HA THR 56 HA THR 56 6.112 -4.953 -8.130 434 HB THR 56 HB THR 56 7.400 -5.891 -10.726 435 HG1 THR 56 HG1 THR 56 8.700 -6.967 -9.509 436 HG21 THR 56 3HG2 THR 56 9.043 -4.100 -10.314 437 HG22 THR 56 1HG2 THR 56 8.134 -3.570 -8.900 438 HG23 THR 56 2HG2 THR 56 7.424 -3.436 -10.511 439 H ASP 57 H ASP 57 4.615 -6.290 -11.051 440 HA ASP 57 HA ASP 57 3.937 -3.922 -12.417 441 HB2 ASP 57 2HB ASP 57 2.377 -6.540 -12.321 442 HB3 ASP 57 3HB ASP 57 2.190 -5.282 -13.539 443 H ASP 58 H ASP 58 2.255 -5.749 -9.949 444 HA ASP 58 HA ASP 58 -0.087 -4.125 -9.763 445 HB2 ASP 58 2HB ASP 58 1.025 -6.033 -7.655 446 HB3 ASP 58 3HB ASP 58 -0.640 -5.486 -7.809 447 H ALA 59 H ALA 59 3.052 -4.217 -8.123 448 HA ALA 59 HA ALA 59 2.596 -2.430 -6.008 449 HB1 ALA 59 3HB ALA 59 4.649 -3.803 -6.179 450 HB2 ALA 59 1HB ALA 59 5.037 -2.095 -5.949 451 HB3 ALA 59 2HB ALA 59 5.189 -2.833 -7.546 452 H ILE 60 H ILE 60 3.821 -1.784 -9.307 453 HA ILE 60 HA ILE 60 4.150 1.011 -9.062 454 HB ILE 60 HB ILE 60 3.515 -0.442 -11.676 455 HG12 ILE 60 2HG1 ILE 60 5.390 -1.624 -10.668 456 HG13 ILE 60 3HG1 ILE 60 6.024 -0.633 -11.971 457 HG21 ILE 60 1HG2 ILE 60 5.030 2.156 -11.177 458 HG22 ILE 60 2HG2 ILE 60 3.416 2.003 -11.871 459 HG23 ILE 60 3HG2 ILE 60 4.810 1.382 -12.752 460 HD11 ILE 60 3HD1 ILE 60 6.188 -0.059 -9.016 461 HD12 ILE 60 1HD1 ILE 60 6.741 1.033 -10.289 462 HD13 ILE 60 2HD1 ILE 60 7.497 -0.545 -10.093 463 H ASP 61 H ASP 61 1.436 -0.971 -10.118 464 HA ASP 61 HA ASP 61 -0.338 1.037 -10.971 465 HB2 ASP 61 2HB ASP 61 -0.682 -1.373 -11.450 466 HB3 ASP 61 3HB ASP 61 -0.973 -1.684 -9.740 467 H THR 62 H THR 62 0.121 -0.479 -7.792 468 HA THR 62 HA THR 62 -1.974 0.880 -6.430 469 HB THR 62 HB THR 62 0.445 -0.652 -5.388 470 HG1 THR 62 HG1 THR 62 -2.247 -1.326 -5.978 471 HG21 THR 62 3HG2 THR 62 -2.052 0.188 -3.862 472 HG22 THR 62 1HG2 THR 62 -0.429 0.829 -3.601 473 HG23 THR 62 2HG2 THR 62 -0.775 -0.860 -3.247 474 H TYR 63 H TYR 63 1.473 1.543 -6.857 475 HA TYR 63 HA TYR 63 1.647 3.704 -5.004 476 HB2 TYR 63 2HB TYR 63 3.401 2.981 -7.379 477 HB3 TYR 63 3HB TYR 63 3.768 4.294 -6.261 478 HD1 TYR 63 HD1 TYR 63 3.114 3.027 -3.622 479 HD2 TYR 63 HD2 TYR 63 5.145 1.419 -7.020 480 HE1 TYR 63 HE1 TYR 63 4.374 1.506 -2.160 481 HE2 TYR 63 HE2 TYR 63 6.390 -0.098 -5.556 482 HH TYR 63 HH TYR 63 7.083 -0.268 -3.314 483 H ALA 64 H ALA 64 1.157 3.533 -8.531 484 HA ALA 64 HA ALA 64 1.011 6.293 -9.089 485 HB1 ALA 64 3HB ALA 64 -0.259 3.986 -10.600 486 HB2 ALA 64 1HB ALA 64 1.384 4.590 -10.830 487 HB3 ALA 64 2HB ALA 64 0.001 5.612 -11.233 488 H GLN 65 H GLN 65 -1.534 3.926 -8.341 489 HA GLN 65 HA GLN 65 -3.811 5.584 -8.391 490 HB2 GLN 65 2HB GLN 65 -3.118 3.020 -6.921 491 HB3 GLN 65 3HB GLN 65 -4.626 3.844 -6.549 492 HG2 GLN 65 2HG GLN 65 -3.958 3.098 -9.392 493 HG3 GLN 65 3HG GLN 65 -4.619 1.902 -8.284 494 HE21 GLN 65 1HE2 GLN 65 -5.623 5.328 -8.254 495 HE22 GLN 65 2HE2 GLN 65 -7.205 5.032 -8.847 496 H GLY 66 H GLY 66 -1.555 4.762 -5.832 497 HA2 GLY 66 2HA GLY 66 -2.564 6.218 -3.695 498 HA3 GLY 66 3HA GLY 66 -0.884 5.773 -3.929 499 H ILE 67 H ILE 67 -0.356 7.260 -6.282 500 HA ILE 67 HA ILE 67 0.550 9.686 -5.161 501 HB ILE 67 HB ILE 67 0.332 8.699 -8.033 502 HG12 ILE 67 2HG1 ILE 67 2.789 9.170 -6.272 503 HG13 ILE 67 3HG1 ILE 67 2.005 7.613 -6.501 504 HG21 ILE 67 1HG2 ILE 67 1.613 11.334 -7.219 505 HG22 ILE 67 2HG2 ILE 67 0.187 11.131 -8.230 506 HG23 ILE 67 3HG2 ILE 67 1.755 10.579 -8.807 507 HD11 ILE 67 3HD1 ILE 67 4.010 7.827 -7.834 508 HD12 ILE 67 1HD1 ILE 67 3.342 9.233 -8.659 509 HD13 ILE 67 2HD1 ILE 67 2.587 7.647 -8.857 510 H GLU 68 H GLU 68 -2.273 8.966 -7.158 511 HA GLU 68 HA GLU 68 -3.181 11.554 -7.764 512 HB2 GLU 68 2HB GLU 68 -4.843 9.028 -7.318 513 HB3 GLU 68 3HB GLU 68 -5.354 10.457 -8.221 514 HG2 GLU 68 2HG GLU 68 -3.632 10.032 -9.913 515 HG3 GLU 68 3HG GLU 68 -3.029 8.661 -8.988 516 H VAL 69 H VAL 69 -3.953 9.395 -5.083 517 HA VAL 69 HA VAL 69 -5.673 11.358 -3.756 518 HB VAL 69 HB VAL 69 -6.220 9.615 -2.150 519 HG11 VAL 69 1HG1 VAL 69 -6.334 8.589 -5.020 520 HG12 VAL 69 2HG1 VAL 69 -7.478 9.702 -4.266 521 HG13 VAL 69 3HG1 VAL 69 -7.360 8.042 -3.689 522 HG21 VAL 69 3HG2 VAL 69 -4.237 7.818 -3.606 523 HG22 VAL 69 1HG2 VAL 69 -5.342 7.305 -2.322 524 HG23 VAL 69 2HG2 VAL 69 -4.051 8.458 -1.974 525 H ALA 70 H ALA 70 -2.372 10.479 -3.649 526 HA ALA 70 HA ALA 70 -1.830 10.934 -0.859 527 HB1 ALA 70 3HB ALA 70 -0.380 9.493 -2.212 528 HB2 ALA 70 1HB ALA 70 0.541 10.799 -1.467 529 HB3 ALA 70 2HB ALA 70 0.124 10.874 -3.184 530 H ARG 71 H ARG 71 -1.417 12.840 -3.808 531 HA ARG 71 HA ARG 71 -0.337 15.163 -2.595 532 HB2 ARG 71 2HB ARG 71 -1.012 16.303 -4.737 533 HB3 ARG 71 3HB ARG 71 -0.081 14.828 -4.973 534 HG2 ARG 71 2HG ARG 71 -2.183 13.600 -5.451 535 HG3 ARG 71 3HG ARG 71 -3.083 15.108 -5.280 536 HD2 ARG 71 2HD ARG 71 -1.856 16.059 -7.208 537 HD3 ARG 71 3HD ARG 71 -0.942 14.551 -7.367 538 HE ARG 71 HE ARG 71 -2.913 13.427 -8.049 539 HH11 ARG 71 1HH1 ARG 71 -3.408 16.895 -7.784 540 HH12 ARG 71 2HH1 ARG 71 -4.878 16.878 -8.702 541 HH21 ARG 71 1HH2 ARG 71 -4.842 13.414 -9.240 542 HH22 ARG 71 2HH2 ARG 71 -5.688 14.906 -9.524 543 H GLU 72 H GLU 72 -3.678 14.080 -3.063 544 HA GLU 72 HA GLU 72 -4.828 16.684 -2.396 545 HB2 GLU 72 2HB GLU 72 -6.193 14.035 -3.041 546 HB3 GLU 72 3HB GLU 72 -6.993 15.600 -2.920 547 HG2 GLU 72 2HG GLU 72 -4.941 14.784 -5.003 548 HG3 GLU 72 3HG GLU 72 -6.679 14.943 -5.254 549 H GLU 73 H GLU 73 -5.122 13.358 -1.140 550 HA GLU 73 HA GLU 73 -6.580 14.216 1.234 551 HB2 GLU 73 2HB GLU 73 -5.812 11.405 0.326 552 HB3 GLU 73 3HB GLU 73 -6.980 11.807 1.581 553 HG2 GLU 73 2HG GLU 73 -7.256 12.499 -1.362 554 HG3 GLU 73 3HG GLU 73 -8.037 11.135 -0.565 555 H GLY 74 H GLY 74 -3.453 12.705 0.413 556 HA2 GLY 74 2HA GLY 74 -2.663 12.528 3.238 557 HA3 GLY 74 3HA GLY 74 -1.772 11.929 1.840 558 H THR 75 H THR 75 -0.094 13.064 3.303 559 HA THR 75 HA THR 75 0.116 15.950 2.962 560 HB THR 75 HB THR 75 2.215 15.743 4.229 561 HG1 THR 75 HG1 THR 75 1.910 12.973 4.580 562 HG21 THR 75 3HG2 THR 75 0.061 13.998 5.476 563 HG22 THR 75 1HG2 THR 75 0.134 15.759 5.563 564 HG23 THR 75 2HG2 THR 75 1.381 14.785 6.342 565 H GLN 76 H GLN 76 2.328 16.792 2.159 566 HA GLN 76 HA GLN 76 2.920 16.004 -0.497 567 HB2 GLN 76 2HB GLN 76 3.357 18.288 0.466 568 HB3 GLN 76 3HB GLN 76 4.663 17.613 1.423 569 HG2 GLN 76 2HG GLN 76 5.676 18.698 -0.429 570 HG3 GLN 76 3HG GLN 76 5.812 16.971 -0.743 571 HE21 GLN 76 1HE2 GLN 76 5.924 19.222 -2.633 572 HE22 GLN 76 2HE2 GLN 76 4.672 18.944 -3.793 573 H LYS 77 H LYS 77 4.199 15.064 2.622 574 HA LYS 77 HA LYS 77 6.520 13.666 1.766 575 HB2 LYS 77 2HB LYS 77 6.111 14.437 4.119 576 HB3 LYS 77 3HB LYS 77 4.856 13.212 4.282 577 HG2 LYS 77 2HG LYS 77 6.547 11.429 3.957 578 HG3 LYS 77 3HG LYS 77 7.802 12.659 3.770 579 HD2 LYS 77 2HD LYS 77 7.205 13.460 6.126 580 HD3 LYS 77 3HD LYS 77 6.184 12.028 6.265 581 HE2 LYS 77 2HE LYS 77 9.177 12.010 5.775 582 HE3 LYS 77 3HE LYS 77 8.389 11.691 7.318 583 HZ1 LYS 77 3HZ LYS 77 7.361 9.746 6.381 584 HZ2 LYS 77 1HZ LYS 77 9.035 9.666 6.152 585 HZ3 LYS 77 2HZ LYS 77 8.023 10.070 4.860 586 H ASP 78 H ASP 78 3.152 12.661 2.419 587 HA ASP 78 HA ASP 78 3.374 9.896 1.921 588 HB2 ASP 78 2HB ASP 78 1.044 11.833 1.654 589 HB3 ASP 78 3HB ASP 78 0.854 10.142 1.204 590 H LEU 79 H LEU 79 2.631 12.565 -0.260 591 HA LEU 79 HA LEU 79 2.353 11.181 -2.667 592 HB2 LEU 79 2HB LEU 79 1.766 13.560 -2.373 593 HB3 LEU 79 3HB LEU 79 3.463 13.972 -2.166 594 HG LEU 79 HG LEU 79 3.897 13.245 -4.526 595 HD11 LEU 79 1HD1 LEU 79 0.889 12.916 -4.681 596 HD12 LEU 79 2HD1 LEU 79 2.100 11.631 -4.794 597 HD13 LEU 79 3HD1 LEU 79 2.008 12.864 -6.047 598 HD21 LEU 79 3HD2 LEU 79 2.840 15.187 -5.628 599 HD22 LEU 79 1HD2 LEU 79 3.528 15.619 -4.063 600 HD23 LEU 79 2HD2 LEU 79 1.783 15.410 -4.232 601 H SER 80 H SER 80 5.253 12.590 -1.151 602 HA SER 80 HA SER 80 7.103 11.994 -3.181 603 HB2 SER 80 2HB SER 80 7.479 13.664 -1.336 604 HB3 SER 80 3HB SER 80 7.672 12.327 -0.202 605 HG SER 80 HG SER 80 9.380 11.657 -1.900 606 H GLU 81 H GLU 81 6.059 10.145 -0.335 607 HA GLU 81 HA GLU 81 8.008 8.104 -0.365 608 HB2 GLU 81 2HB GLU 81 5.167 8.210 0.738 609 HB3 GLU 81 3HB GLU 81 6.188 6.792 0.943 610 HG2 GLU 81 2HG GLU 81 6.819 9.574 1.962 611 HG3 GLU 81 3HG GLU 81 6.169 8.247 2.925 612 H LEU 82 H LEU 82 4.828 8.344 -1.899 613 HA LEU 82 HA LEU 82 4.833 5.681 -2.982 614 HB2 LEU 82 2HB LEU 82 3.091 8.111 -3.453 615 HB3 LEU 82 3HB LEU 82 2.803 6.572 -4.257 616 HG LEU 82 HG LEU 82 2.907 6.822 -1.223 617 HD11 LEU 82 1HD1 LEU 82 0.450 6.936 -2.972 618 HD12 LEU 82 2HD1 LEU 82 1.101 8.246 -1.991 619 HD13 LEU 82 3HD1 LEU 82 0.459 6.804 -1.213 620 HD21 LEU 82 3HD2 LEU 82 1.784 4.663 -3.039 621 HD22 LEU 82 1HD2 LEU 82 1.709 4.675 -1.274 622 HD23 LEU 82 2HD2 LEU 82 3.267 4.560 -2.084 623 H GLN 83 H GLN 83 5.770 8.836 -4.215 624 HA GLN 83 HA GLN 83 6.194 8.042 -6.943 625 HB2 GLN 83 2HB GLN 83 7.179 10.433 -5.338 626 HB3 GLN 83 3HB GLN 83 7.478 10.232 -7.063 627 HG2 GLN 83 2HG GLN 83 5.098 10.336 -7.541 628 HG3 GLN 83 3HG GLN 83 4.714 10.358 -5.824 629 HE21 GLN 83 1HE2 GLN 83 6.799 12.263 -5.107 630 HE22 GLN 83 2HE2 GLN 83 6.286 13.795 -5.706 631 H ASP 84 H ASP 84 8.235 8.275 -4.073 632 HA ASP 84 HA ASP 84 10.723 7.569 -5.264 633 HB2 ASP 84 2HB ASP 84 9.664 7.834 -2.466 634 HB3 ASP 84 3HB ASP 84 11.145 6.935 -2.664 635 H ALA 85 H ALA 85 8.124 5.764 -3.681 636 HA ALA 85 HA ALA 85 9.468 3.283 -3.538 637 HB1 ALA 85 3HB ALA 85 7.619 3.889 -2.041 638 HB2 ALA 85 1HB ALA 85 7.291 2.377 -2.893 639 HB3 ALA 85 2HB ALA 85 6.507 3.872 -3.408 640 H LYS 86 H LYS 86 7.134 4.643 -5.928 641 HA LYS 86 HA LYS 86 7.005 2.324 -7.520 642 HB2 LYS 86 2HB LYS 86 6.048 3.642 -9.300 643 HB3 LYS 86 3HB LYS 86 5.366 4.152 -7.766 644 HG2 LYS 86 2HG LYS 86 6.660 6.174 -7.763 645 HG3 LYS 86 3HG LYS 86 7.607 5.645 -9.151 646 HD2 LYS 86 2HD LYS 86 4.643 6.324 -9.159 647 HD3 LYS 86 3HD LYS 86 5.944 7.328 -9.804 648 HE2 LYS 86 2HE LYS 86 6.478 5.491 -11.428 649 HE3 LYS 86 3HE LYS 86 5.066 4.610 -10.839 650 HZ1 LYS 86 3HZ LYS 86 5.016 7.301 -12.088 651 HZ2 LYS 86 1HZ LYS 86 3.669 6.427 -11.566 652 HZ3 LYS 86 2HZ LYS 86 4.596 5.853 -12.856 653 H LEU 87 H LEU 87 9.279 5.114 -7.686 654 HA LEU 87 HA LEU 87 10.371 4.325 -10.189 655 HB2 LEU 87 2HB LEU 87 12.097 6.016 -9.858 656 HB3 LEU 87 3HB LEU 87 10.513 6.623 -9.432 657 HG LEU 87 HG LEU 87 11.223 6.185 -6.955 658 HD11 LEU 87 1HD1 LEU 87 13.999 6.301 -8.165 659 HD12 LEU 87 2HD1 LEU 87 13.282 4.918 -7.335 660 HD13 LEU 87 3HD1 LEU 87 13.602 6.403 -6.446 661 HD21 LEU 87 3HD2 LEU 87 12.207 8.420 -6.774 662 HD22 LEU 87 1HD2 LEU 87 10.845 8.415 -7.890 663 HD23 LEU 87 2HD2 LEU 87 12.493 8.455 -8.516 664 H LYS 88 H LYS 88 11.331 3.577 -6.847 665 HA LYS 88 HA LYS 88 13.683 2.097 -7.552 666 HB2 LYS 88 2HB LYS 88 13.656 1.257 -5.227 667 HB3 LYS 88 3HB LYS 88 13.460 3.003 -5.303 668 HG2 LYS 88 2HG LYS 88 11.119 2.833 -4.814 669 HG3 LYS 88 3HG LYS 88 11.144 1.080 -4.980 670 HD2 LYS 88 2HD LYS 88 12.619 2.639 -2.831 671 HD3 LYS 88 3HD LYS 88 11.060 1.857 -2.618 672 HE2 LYS 88 2HE LYS 88 13.649 0.451 -3.305 673 HE3 LYS 88 3HE LYS 88 12.868 0.467 -1.724 674 HZ1 LYS 88 3HZ LYS 88 12.364 -1.556 -2.913 675 HZ2 LYS 88 1HZ LYS 88 11.709 -0.686 -4.207 676 HZ3 LYS 88 2HZ LYS 88 10.953 -0.652 -2.695 677 H ALA 89 H ALA 89 10.296 1.110 -6.855 678 HA ALA 89 HA ALA 89 10.571 -1.632 -7.143 679 HB1 ALA 89 3HB ALA 89 8.162 0.077 -7.826 680 HB2 ALA 89 1HB ALA 89 8.555 -0.580 -6.241 681 HB3 ALA 89 2HB ALA 89 8.141 -1.668 -7.563 682 H GLU 90 H GLU 90 10.027 0.832 -9.643 683 HA GLU 90 HA GLU 90 9.799 -0.873 -11.882 684 HB2 GLU 90 2HB GLU 90 10.836 1.984 -11.649 685 HB3 GLU 90 3HB GLU 90 10.606 1.162 -13.194 686 HG2 GLU 90 2HG GLU 90 8.205 0.947 -12.759 687 HG3 GLU 90 3HG GLU 90 8.409 1.668 -11.166 688 H GLY 91 H GLY 91 12.572 0.504 -10.199 689 HA2 GLY 91 2HA GLY 91 14.645 -0.417 -11.901 690 HA3 GLY 91 3HA GLY 91 14.808 0.085 -10.228 691 H LEU 92 H LEU 92 12.633 -2.245 -9.804 692 HA LEU 92 HA LEU 92 14.543 -4.208 -8.935 693 HB2 LEU 92 2HB LEU 92 11.509 -4.370 -9.126 694 HB3 LEU 92 3HB LEU 92 12.520 -5.593 -8.369 695 HG LEU 92 HG LEU 92 12.205 -2.720 -7.417 696 HD11 LEU 92 1HD1 LEU 92 10.191 -4.041 -7.008 697 HD12 LEU 92 2HD1 LEU 92 11.019 -3.685 -5.494 698 HD13 LEU 92 3HD1 LEU 92 11.146 -5.297 -6.210 699 HD21 LEU 92 3HD2 LEU 92 14.454 -3.522 -6.924 700 HD22 LEU 92 1HD2 LEU 92 13.804 -4.991 -6.189 701 HD23 LEU 92 2HD2 LEU 92 13.507 -3.418 -5.444 702 H GLU 93 H GLU 93 11.821 -4.523 -11.256 703 HA GLU 93 HA GLU 93 12.967 -6.917 -12.422 704 HB2 GLU 93 2HB GLU 93 10.947 -6.903 -13.897 705 HB3 GLU 93 3HB GLU 93 10.565 -6.889 -12.180 706 HG2 GLU 93 2HG GLU 93 9.967 -4.547 -12.253 707 HG3 GLU 93 3HG GLU 93 10.561 -4.398 -13.907 708 H HIS 94 H HIS 94 12.509 -3.558 -13.370 709 HA HIS 94 HA HIS 94 13.843 -3.988 -15.969 710 HB2 HIS 94 2HB HIS 94 11.634 -2.742 -15.842 711 HB3 HIS 94 3HB HIS 94 12.437 -1.491 -14.907 712 HD1 HIS 94 HD1 HIS 94 11.414 -0.072 -16.973 713 HD2 HIS 94 HD2 HIS 94 14.663 -2.519 -17.832 714 HE1 HIS 94 HE1 HIS 94 12.316 0.742 -19.167 715 HE2 HIS 94 HE2 HIS 94 14.238 -0.793 -19.693 716 H HIS 95 H HIS 95 15.997 -3.611 -16.028 717 HA HIS 95 HA HIS 95 17.491 -2.722 -13.836 718 HB2 HIS 95 2HB HIS 95 19.452 -2.676 -15.404 719 HB3 HIS 95 3HB HIS 95 18.534 -4.170 -15.454 720 HD1 HIS 95 HD1 HIS 95 17.189 -4.678 -17.618 721 HD2 HIS 95 HD2 HIS 95 19.533 -1.257 -17.840 722 HE1 HIS 95 HE1 HIS 95 17.254 -4.069 -20.041 723 HE2 HIS 95 HE2 HIS 95 18.852 -2.128 -20.172 724 H HIS 96 H HIS 96 17.224 -0.763 -12.977 725 HA HIS 96 HA HIS 96 16.561 1.625 -14.341 726 HB2 HIS 96 2HB HIS 96 16.968 2.774 -12.206 727 HB3 HIS 96 3HB HIS 96 16.072 1.290 -11.937 728 HD1 HIS 96 HD1 HIS 96 17.292 -0.625 -10.634 729 HD2 HIS 96 HD2 HIS 96 19.517 2.867 -11.012 730 HE1 HIS 96 HE1 HIS 96 19.190 -0.851 -9.013 731 HE2 HIS 96 HE2 HIS 96 20.616 1.182 -9.396 732 H HIS 97 H HIS 97 17.885 3.614 -14.462 733 HA HIS 97 HA HIS 97 19.584 4.741 -15.447 734 HB2 HIS 97 2HB HIS 97 20.793 4.167 -13.301 735 HB3 HIS 97 3HB HIS 97 21.432 2.726 -14.070 736 HD1 HIS 97 HD1 HIS 97 21.979 6.376 -13.732 737 HD2 HIS 97 HD2 HIS 97 23.511 3.244 -15.983 738 HE1 HIS 97 HE1 HIS 97 24.119 7.236 -14.715 739 HE2 HIS 97 HE2 HIS 97 25.116 5.255 -15.892 740 H HIS 98 H HIS 98 18.401 3.664 -17.255 741 HA HIS 98 HA HIS 98 19.341 1.439 -18.708 742 HB2 HIS 98 2HB HIS 98 17.077 2.364 -19.010 743 HB3 HIS 98 3HB HIS 98 17.739 3.867 -19.631 744 HD1 HIS 98 HD1 HIS 98 17.423 3.993 -22.079 745 HD2 HIS 98 HD2 HIS 98 18.103 0.086 -20.844 746 HE1 HIS 98 HE1 HIS 98 17.437 2.618 -24.177 747 HE2 HIS 98 HE2 HIS 98 17.865 0.258 -23.407 748 H HIS 99 H HIS 99 19.989 4.905 -19.038 749 HA HIS 99 HA HIS 99 22.375 4.352 -20.715 750 HB2 HIS 99 2HB HIS 99 20.862 6.962 -20.260 751 HB3 HIS 99 3HB HIS 99 22.353 6.828 -21.179 752 HD1 HIS 99 HD1 HIS 99 19.862 7.982 -22.486 753 HD2 HIS 99 HD2 HIS 99 20.893 3.949 -22.673 754 HE1 HIS 99 HE1 HIS 99 18.720 7.080 -24.538 755 HE2 HIS 99 HE2 HIS 99 19.434 4.687 -24.684 Start of MODEL 19 1 H1 GLU 1 1H GLU 1 -12.712 -1.907 18.553 2 H2 GLU 1 2H GLU 1 -14.348 -2.061 18.167 3 H3 GLU 1 3H GLU 1 -13.693 -0.545 18.489 4 HA GLU 1 HA GLU 1 -14.036 -0.809 16.150 5 HB2 GLU 1 2HB GLU 1 -11.088 -0.870 16.960 6 HB3 GLU 1 3HB GLU 1 -11.661 -0.425 15.358 7 HG2 GLU 1 2HG GLU 1 -11.159 1.594 16.523 8 HG3 GLU 1 3HG GLU 1 -12.908 1.492 16.369 9 H ASP 2 H ASP 2 -14.752 -2.542 15.010 10 HA ASP 2 HA ASP 2 -13.413 -5.100 14.862 11 HB2 ASP 2 2HB ASP 2 -15.683 -3.853 13.238 12 HB3 ASP 2 3HB ASP 2 -15.059 -5.463 12.898 13 HA PRO 3 HA PRO 3 -10.517 -4.335 11.471 14 HB2 PRO 3 2HB PRO 3 -11.602 -6.765 10.073 15 HB3 PRO 3 3HB PRO 3 -9.934 -6.369 10.514 16 HG2 PRO 3 2HG PRO 3 -11.299 -8.183 11.923 17 HG3 PRO 3 3HG PRO 3 -10.232 -7.025 12.749 18 HD2 PRO 3 2HD PRO 3 -13.243 -6.979 12.489 19 HD3 PRO 3 3HD PRO 3 -12.227 -6.621 13.907 20 H GLU 4 H GLU 4 -13.883 -4.380 10.932 21 HA GLU 4 HA GLU 4 -14.236 -3.595 8.299 22 HB2 GLU 4 2HB GLU 4 -15.643 -2.512 10.791 23 HB3 GLU 4 3HB GLU 4 -16.248 -2.371 9.143 24 HG2 GLU 4 2HG GLU 4 -15.873 -4.961 10.681 25 HG3 GLU 4 3HG GLU 4 -17.406 -4.137 10.390 26 H ASP 5 H ASP 5 -13.223 -1.709 11.109 27 HA ASP 5 HA ASP 5 -13.232 0.869 9.910 28 HB2 ASP 5 2HB ASP 5 -11.767 -0.140 12.391 29 HB3 ASP 5 3HB ASP 5 -11.921 1.558 11.941 30 HA PRO 6 HA PRO 6 -9.718 0.768 7.150 31 HB2 PRO 6 2HB PRO 6 -9.263 3.525 8.329 32 HB3 PRO 6 3HB PRO 6 -9.190 3.010 6.633 33 HG2 PRO 6 2HG PRO 6 -11.353 4.260 7.586 34 HG3 PRO 6 3HG PRO 6 -11.523 2.916 6.434 35 HD2 PRO 6 2HD PRO 6 -12.077 2.973 9.376 36 HD3 PRO 6 3HD PRO 6 -12.816 1.975 8.108 37 H PHE 7 H PHE 7 -8.870 2.474 10.196 38 HA PHE 7 HA PHE 7 -6.131 1.856 10.120 39 HB2 PHE 7 2HB PHE 7 -7.061 3.729 11.450 40 HB3 PHE 7 3HB PHE 7 -7.807 2.581 12.556 41 HD1 PHE 7 HD2 PHE 7 -4.486 3.696 11.235 42 HD2 PHE 7 HD1 PHE 7 -6.556 1.736 14.431 43 HE1 PHE 7 HE2 PHE 7 -2.411 3.639 12.555 44 HE2 PHE 7 HE1 PHE 7 -4.475 1.676 15.734 45 HZ PHE 7 HZ PHE 7 -2.404 2.628 14.804 46 H THR 8 H THR 8 -8.852 0.107 11.650 47 HA THR 8 HA THR 8 -7.351 -1.546 13.346 48 HB THR 8 HB THR 8 -9.996 -2.372 12.084 49 HG1 THR 8 HG1 THR 8 -10.995 -1.137 13.605 50 HG21 THR 8 3HG2 THR 8 -8.879 -4.133 13.443 51 HG22 THR 8 1HG2 THR 8 -10.331 -3.546 14.252 52 HG23 THR 8 2HG2 THR 8 -8.742 -3.006 14.796 53 H ARG 9 H ARG 9 -8.621 -2.297 10.035 54 HA ARG 9 HA ARG 9 -7.327 -4.865 9.889 55 HB2 ARG 9 2HB ARG 9 -8.040 -4.994 7.597 56 HB3 ARG 9 3HB ARG 9 -9.353 -4.289 8.524 57 HG2 ARG 9 2HG ARG 9 -7.631 -2.202 7.403 58 HG3 ARG 9 3HG ARG 9 -8.200 -3.278 6.138 59 HD2 ARG 9 2HD ARG 9 -10.063 -1.978 8.130 60 HD3 ARG 9 3HD ARG 9 -9.594 -1.209 6.615 61 HE ARG 9 HE ARG 9 -10.886 -3.871 6.636 62 HH11 ARG 9 1HH1 ARG 9 -10.848 -0.532 5.572 63 HH12 ARG 9 2HH1 ARG 9 -12.200 -0.722 4.515 64 HH21 ARG 9 1HH2 ARG 9 -12.697 -4.098 5.271 65 HH22 ARG 9 2HH2 ARG 9 -13.260 -2.736 4.354 66 H TYR 10 H TYR 10 -6.377 -1.597 9.089 67 HA TYR 10 HA TYR 10 -4.163 -2.074 7.402 68 HB2 TYR 10 2HB TYR 10 -5.102 0.136 7.506 69 HB3 TYR 10 3HB TYR 10 -4.919 0.215 9.253 70 HD1 TYR 10 HD2 TYR 10 -2.834 -0.039 6.112 71 HD2 TYR 10 HD1 TYR 10 -3.082 1.409 10.132 72 HE1 TYR 10 HE2 TYR 10 -0.692 1.132 5.832 73 HE2 TYR 10 HE1 TYR 10 -0.943 2.571 9.842 74 HH TYR 10 HH TYR 10 1.077 2.331 8.418 75 H ALA 11 H ALA 11 -4.323 -1.472 10.886 76 HA ALA 11 HA ALA 11 -1.557 -1.869 11.425 77 HB1 ALA 11 3HB ALA 11 -2.989 -0.435 12.825 78 HB2 ALA 11 1HB ALA 11 -2.245 -1.712 13.790 79 HB3 ALA 11 2HB ALA 11 -3.940 -1.837 13.314 80 H LEU 12 H LEU 12 -4.453 -3.893 11.584 81 HA LEU 12 HA LEU 12 -3.340 -6.189 12.823 82 HB2 LEU 12 2HB LEU 12 -5.766 -5.749 12.662 83 HB3 LEU 12 3HB LEU 12 -5.699 -5.940 10.919 84 HG LEU 12 HG LEU 12 -5.117 -8.351 11.214 85 HD11 LEU 12 1HD1 LEU 12 -3.982 -8.278 13.374 86 HD12 LEU 12 2HD1 LEU 12 -5.316 -9.427 13.419 87 HD13 LEU 12 3HD1 LEU 12 -5.493 -7.846 14.184 88 HD21 LEU 12 3HD2 LEU 12 -7.332 -9.117 11.991 89 HD22 LEU 12 1HD2 LEU 12 -7.471 -7.725 10.917 90 HD23 LEU 12 2HD2 LEU 12 -7.658 -7.516 12.658 91 H ALA 13 H ALA 13 -3.537 -5.116 9.477 92 HA ALA 13 HA ALA 13 -2.534 -7.422 8.182 93 HB1 ALA 13 3HB ALA 13 -3.681 -5.633 6.955 94 HB2 ALA 13 1HB ALA 13 -2.082 -5.942 6.271 95 HB3 ALA 13 2HB ALA 13 -2.351 -4.527 7.295 96 H GLN 14 H GLN 14 -0.934 -4.487 9.430 97 HA GLN 14 HA GLN 14 1.718 -5.236 8.740 98 HB2 GLN 14 2HB GLN 14 0.750 -3.320 10.902 99 HB3 GLN 14 3HB GLN 14 2.406 -3.426 10.306 100 HG2 GLN 14 2HG GLN 14 1.551 -2.806 8.019 101 HG3 GLN 14 3HG GLN 14 -0.036 -2.546 8.736 102 HE21 GLN 14 1HE2 GLN 14 3.232 -1.346 8.499 103 HE22 GLN 14 2HE2 GLN 14 2.915 0.217 9.174 104 H GLU 15 H GLU 15 -0.326 -5.997 11.518 105 HA GLU 15 HA GLU 15 1.668 -7.248 13.141 106 HB2 GLU 15 2HB GLU 15 -1.343 -7.642 13.018 107 HB3 GLU 15 3HB GLU 15 -0.310 -8.438 14.205 108 HG2 GLU 15 2HG GLU 15 0.358 -6.226 15.097 109 HG3 GLU 15 3HG GLU 15 -0.685 -5.441 13.911 110 H HIS 16 H HIS 16 -0.596 -8.483 10.666 111 HA HIS 16 HA HIS 16 0.118 -11.180 10.695 112 HB2 HIS 16 2HB HIS 16 -0.811 -9.494 8.339 113 HB3 HIS 16 3HB HIS 16 -0.733 -11.257 8.324 114 HD1 HIS 16 HD1 HIS 16 -1.929 -11.421 11.356 115 HD2 HIS 16 HD2 HIS 16 -3.606 -9.502 8.088 116 HE1 HIS 16 HE1 HIS 16 -4.374 -11.331 11.815 117 HE2 HIS 16 HE2 HIS 16 -5.386 -10.322 9.760 118 H LEU 17 H LEU 17 1.703 -8.444 9.083 119 HA LEU 17 HA LEU 17 3.635 -9.940 7.633 120 HB2 LEU 17 2HB LEU 17 3.724 -7.092 8.689 121 HB3 LEU 17 3HB LEU 17 4.923 -7.772 7.594 122 HG LEU 17 HG LEU 17 1.959 -7.446 6.937 123 HD11 LEU 17 1HD1 LEU 17 3.084 -5.276 7.047 124 HD12 LEU 17 2HD1 LEU 17 2.662 -5.687 5.387 125 HD13 LEU 17 3HD1 LEU 17 4.332 -5.851 5.938 126 HD21 LEU 17 3HD2 LEU 17 2.969 -9.373 5.770 127 HD22 LEU 17 1HD2 LEU 17 4.250 -8.327 5.143 128 HD23 LEU 17 2HD2 LEU 17 2.573 -8.072 4.652 129 H LYS 18 H LYS 18 3.539 -8.762 10.954 130 HA LYS 18 HA LYS 18 6.235 -9.447 11.671 131 HB2 LYS 18 2HB LYS 18 3.777 -9.018 13.428 132 HB3 LYS 18 3HB LYS 18 5.435 -9.115 14.017 133 HG2 LYS 18 2HG LYS 18 6.026 -7.070 12.797 134 HG3 LYS 18 3HG LYS 18 4.414 -7.002 12.091 135 HD2 LYS 18 2HD LYS 18 4.565 -5.387 13.912 136 HD3 LYS 18 3HD LYS 18 3.440 -6.671 14.364 137 HE2 LYS 18 2HE LYS 18 5.132 -7.703 15.793 138 HE3 LYS 18 3HE LYS 18 6.347 -6.548 15.246 139 HZ1 LYS 18 3HZ LYS 18 5.089 -4.776 16.282 140 HZ2 LYS 18 1HZ LYS 18 5.471 -5.970 17.413 141 HZ3 LYS 18 2HZ LYS 18 3.907 -5.869 16.793 142 H HIS 19 H HIS 19 3.126 -11.152 11.739 143 HA HIS 19 HA HIS 19 4.290 -13.589 12.895 144 HB2 HIS 19 2HB HIS 19 1.446 -12.850 12.089 145 HB3 HIS 19 3HB HIS 19 1.891 -14.458 12.650 146 HD1 HIS 19 HD1 HIS 19 1.999 -14.820 15.128 147 HD2 HIS 19 HD2 HIS 19 1.708 -10.799 14.138 148 HE1 HIS 19 HE1 HIS 19 1.594 -13.623 17.293 149 HE2 HIS 19 HE2 HIS 19 1.243 -11.222 16.640 150 H ASP 20 H ASP 20 4.489 -12.351 9.909 151 HA ASP 20 HA ASP 20 5.179 -13.144 7.921 152 HB2 ASP 20 2HB ASP 20 5.201 -15.879 9.261 153 HB3 ASP 20 3HB ASP 20 5.892 -15.532 7.678 154 H ASN 21 H ASN 21 2.192 -13.551 8.968 155 HA ASN 21 HA ASN 21 1.053 -15.126 6.801 156 HB2 ASN 21 2HB ASN 21 -0.274 -13.346 8.909 157 HB3 ASN 21 3HB ASN 21 -1.130 -14.424 7.811 158 HD21 ASN 21 1HD2 ASN 21 -0.993 -16.696 8.190 159 HD22 ASN 21 2HD2 ASN 21 -0.451 -17.334 9.698 160 H ALA 22 H ALA 22 2.495 -13.526 5.441 161 HA ALA 22 HA ALA 22 1.742 -10.864 4.919 162 HB1 ALA 22 3HB ALA 22 3.930 -11.802 4.285 163 HB2 ALA 22 1HB ALA 22 3.128 -11.044 2.907 164 HB3 ALA 22 2HB ALA 22 3.149 -12.804 3.063 165 H SER 23 H SER 23 0.628 -13.912 3.520 166 HA SER 23 HA SER 23 -1.010 -13.097 1.467 167 HB2 SER 23 2HB SER 23 -2.351 -15.188 2.053 168 HB3 SER 23 3HB SER 23 -0.612 -15.440 1.882 169 HG SER 23 HG SER 23 -0.505 -15.982 3.906 170 H ARG 24 H ARG 24 -1.911 -13.385 4.924 171 HA ARG 24 HA ARG 24 -4.579 -12.422 4.617 172 HB2 ARG 24 2HB ARG 24 -2.797 -12.774 7.061 173 HB3 ARG 24 3HB ARG 24 -4.481 -12.268 7.165 174 HG2 ARG 24 2HG ARG 24 -3.506 -14.909 6.018 175 HG3 ARG 24 3HG ARG 24 -4.222 -14.674 7.616 176 HD2 ARG 24 2HD ARG 24 -6.331 -13.927 6.574 177 HD3 ARG 24 3HD ARG 24 -5.630 -14.147 4.965 178 HE ARG 24 HE ARG 24 -5.636 -16.495 6.693 179 HH11 ARG 24 1HH1 ARG 24 -7.298 -14.826 4.084 180 HH12 ARG 24 2HH1 ARG 24 -8.258 -16.206 3.666 181 HH21 ARG 24 1HH2 ARG 24 -6.902 -18.284 6.125 182 HH22 ARG 24 2HH2 ARG 24 -8.043 -18.155 4.823 183 H ALA 25 H ALA 25 -1.499 -10.900 5.370 184 HA ALA 25 HA ALA 25 -2.421 -8.311 6.084 185 HB1 ALA 25 3HB ALA 25 -0.120 -7.596 5.615 186 HB2 ALA 25 1HB ALA 25 0.204 -9.124 4.789 187 HB3 ALA 25 2HB ALA 25 -0.128 -9.108 6.522 188 H LEU 26 H LEU 26 -1.604 -9.844 3.043 189 HA LEU 26 HA LEU 26 -1.602 -7.580 1.336 190 HB2 LEU 26 2HB LEU 26 -0.546 -9.851 0.879 191 HB3 LEU 26 3HB LEU 26 -2.159 -10.471 0.576 192 HG LEU 26 HG LEU 26 -2.362 -8.765 -1.306 193 HD11 LEU 26 1HD1 LEU 26 0.617 -8.401 -0.826 194 HD12 LEU 26 2HD1 LEU 26 -0.638 -7.180 -0.599 195 HD13 LEU 26 3HD1 LEU 26 -0.292 -7.793 -2.210 196 HD21 LEU 26 3HD2 LEU 26 -0.151 -10.835 -1.568 197 HD22 LEU 26 1HD2 LEU 26 -1.020 -10.080 -2.908 198 HD23 LEU 26 2HD2 LEU 26 -1.879 -11.127 -1.780 199 H ALA 27 H ALA 27 -3.977 -10.064 2.091 200 HA ALA 27 HA ALA 27 -6.170 -9.235 0.608 201 HB1 ALA 27 3HB ALA 27 -7.506 -10.575 2.179 202 HB2 ALA 27 1HB ALA 27 -6.159 -10.596 3.323 203 HB3 ALA 27 2HB ALA 27 -6.005 -11.404 1.762 204 H LEU 28 H LEU 28 -5.253 -8.244 3.950 205 HA LEU 28 HA LEU 28 -7.545 -6.596 4.370 206 HB2 LEU 28 2HB LEU 28 -4.882 -6.703 5.817 207 HB3 LEU 28 3HB LEU 28 -6.194 -5.649 6.317 208 HG LEU 28 HG LEU 28 -6.297 -8.695 6.279 209 HD11 LEU 28 1HD1 LEU 28 -6.348 -8.535 8.730 210 HD12 LEU 28 2HD1 LEU 28 -6.188 -6.780 8.625 211 HD13 LEU 28 3HD1 LEU 28 -4.872 -7.819 8.079 212 HD21 LEU 28 3HD2 LEU 28 -8.519 -7.707 5.801 213 HD22 LEU 28 1HD2 LEU 28 -8.401 -6.733 7.266 214 HD23 LEU 28 2HD2 LEU 28 -8.483 -8.492 7.376 215 H PHE 29 H PHE 29 -4.314 -5.923 3.074 216 HA PHE 29 HA PHE 29 -4.601 -3.067 3.042 217 HB2 PHE 29 2HB PHE 29 -2.670 -4.940 1.634 218 HB3 PHE 29 3HB PHE 29 -2.634 -3.204 1.398 219 HD1 PHE 29 HD2 PHE 29 -2.999 -2.142 4.139 220 HD2 PHE 29 HD1 PHE 29 -0.668 -5.468 2.771 221 HE1 PHE 29 HE2 PHE 29 -1.465 -1.871 6.049 222 HE2 PHE 29 HE1 PHE 29 0.855 -5.178 4.679 223 HZ PHE 29 HZ PHE 29 0.463 -3.386 6.319 224 H GLU 30 H GLU 30 -5.124 -5.649 0.628 225 HA GLU 30 HA GLU 30 -6.073 -3.960 -1.458 226 HB2 GLU 30 2HB GLU 30 -6.419 -6.921 -0.899 227 HB3 GLU 30 3HB GLU 30 -7.153 -6.155 -2.302 228 HG2 GLU 30 2HG GLU 30 -4.911 -5.447 -3.085 229 HG3 GLU 30 3HG GLU 30 -4.187 -6.245 -1.689 230 H GLU 31 H GLU 31 -7.613 -5.387 1.358 231 HA GLU 31 HA GLU 31 -10.327 -4.931 0.592 232 HB2 GLU 31 2HB GLU 31 -9.590 -6.556 2.367 233 HB3 GLU 31 3HB GLU 31 -9.138 -5.194 3.387 234 HG2 GLU 31 2HG GLU 31 -11.519 -4.445 3.378 235 HG3 GLU 31 3HG GLU 31 -11.937 -5.880 2.435 236 H LEU 32 H LEU 32 -7.834 -3.156 2.307 237 HA LEU 32 HA LEU 32 -9.214 -0.836 3.004 238 HB2 LEU 32 2HB LEU 32 -6.339 -1.504 2.450 239 HB3 LEU 32 3HB LEU 32 -6.780 0.181 2.630 240 HG LEU 32 HG LEU 32 -7.342 -1.899 4.765 241 HD11 LEU 32 1HD1 LEU 32 -4.979 -0.001 4.573 242 HD12 LEU 32 2HD1 LEU 32 -4.920 -1.758 4.401 243 HD13 LEU 32 3HD1 LEU 32 -5.373 -1.044 5.942 244 HD21 LEU 32 3HD2 LEU 32 -7.299 1.141 4.880 245 HD22 LEU 32 1HD2 LEU 32 -7.638 0.041 6.220 246 HD23 LEU 32 2HD2 LEU 32 -8.748 0.130 4.859 247 H VAL 33 H VAL 33 -7.460 -1.616 -0.077 248 HA VAL 33 HA VAL 33 -7.787 0.902 -1.305 249 HB VAL 33 HB VAL 33 -7.587 -1.824 -2.689 250 HG11 VAL 33 1HG1 VAL 33 -7.171 0.947 -3.889 251 HG12 VAL 33 2HG1 VAL 33 -8.487 -0.161 -4.265 252 HG13 VAL 33 3HG1 VAL 33 -6.836 -0.579 -4.717 253 HG21 VAL 33 3HG2 VAL 33 -5.421 0.215 -2.094 254 HG22 VAL 33 1HG2 VAL 33 -5.196 -1.292 -2.988 255 HG23 VAL 33 2HG2 VAL 33 -5.633 -1.334 -1.281 256 H GLU 34 H GLU 34 -9.770 -2.043 -1.659 257 HA GLU 34 HA GLU 34 -11.601 -0.998 -3.519 258 HB2 GLU 34 2HB GLU 34 -12.936 -3.015 -3.104 259 HB3 GLU 34 3HB GLU 34 -11.223 -3.397 -3.242 260 HG2 GLU 34 2HG GLU 34 -11.044 -3.579 -0.807 261 HG3 GLU 34 3HG GLU 34 -12.745 -3.155 -0.632 262 H THR 35 H THR 35 -11.838 -1.099 0.092 263 HA THR 35 HA THR 35 -14.533 0.055 0.001 264 HB THR 35 HB THR 35 -14.490 -0.186 2.472 265 HG1 THR 35 HG1 THR 35 -12.173 0.119 2.713 266 HG21 THR 35 3HG2 THR 35 -15.218 -2.135 1.132 267 HG22 THR 35 1HG2 THR 35 -14.416 -2.635 2.622 268 HG23 THR 35 2HG2 THR 35 -13.555 -2.726 1.085 269 H ASP 36 H ASP 36 -11.241 1.036 0.586 270 HA ASP 36 HA ASP 36 -12.044 3.819 1.225 271 HB2 ASP 36 2HB ASP 36 -9.935 2.183 2.709 272 HB3 ASP 36 3HB ASP 36 -10.142 3.917 2.902 273 HA PRO 37 HA PRO 37 -8.842 3.687 -2.227 274 HB2 PRO 37 2HB PRO 37 -10.625 5.697 -3.510 275 HB3 PRO 37 3HB PRO 37 -10.001 4.177 -4.167 276 HG2 PRO 37 2HG PRO 37 -12.607 4.453 -3.505 277 HG3 PRO 37 3HG PRO 37 -11.745 2.915 -3.270 278 HD2 PRO 37 2HD PRO 37 -12.369 5.061 -1.227 279 HD3 PRO 37 3HD PRO 37 -12.583 3.296 -1.107 280 H ASP 38 H ASP 38 -10.270 5.981 -0.179 281 HA ASP 38 HA ASP 38 -8.808 8.335 -0.830 282 HB2 ASP 38 2HB ASP 38 -11.119 8.101 0.260 283 HB3 ASP 38 3HB ASP 38 -10.301 7.591 1.730 284 H TYR 39 H TYR 39 -8.425 5.646 1.425 285 HA TYR 39 HA TYR 39 -6.545 6.794 3.208 286 HB2 TYR 39 2HB TYR 39 -8.098 4.639 3.415 287 HB3 TYR 39 3HB TYR 39 -6.716 3.793 2.736 288 HD1 TYR 39 HD1 TYR 39 -8.005 5.613 5.697 289 HD2 TYR 39 HD2 TYR 39 -4.650 3.479 4.113 290 HE1 TYR 39 HE1 TYR 39 -7.055 5.421 7.955 291 HE2 TYR 39 HE2 TYR 39 -3.709 3.283 6.371 292 HH TYR 39 HH TYR 39 -5.514 4.110 9.205 293 H VAL 40 H VAL 40 -4.605 7.486 2.551 294 HA VAL 40 HA VAL 40 -3.308 6.631 0.131 295 HB VAL 40 HB VAL 40 -2.221 8.434 2.342 296 HG11 VAL 40 1HG1 VAL 40 -1.405 8.218 -0.583 297 HG12 VAL 40 2HG1 VAL 40 -0.457 7.682 0.809 298 HG13 VAL 40 3HG1 VAL 40 -0.783 9.399 0.571 299 HG21 VAL 40 3HG2 VAL 40 -4.382 9.284 1.536 300 HG22 VAL 40 1HG2 VAL 40 -3.810 9.205 -0.133 301 HG23 VAL 40 2HG2 VAL 40 -3.072 10.337 1.001 302 H GLY 41 H GLY 41 -2.775 6.036 3.580 303 HA2 GLY 41 2HA GLY 41 -0.151 4.957 3.487 304 HA3 GLY 41 3HA GLY 41 -1.317 4.732 4.782 305 H THR 42 H THR 42 -3.310 3.574 2.948 306 HA THR 42 HA THR 42 -2.859 0.857 2.894 307 HB THR 42 HB THR 42 -4.502 2.612 1.028 308 HG1 THR 42 HG1 THR 42 -6.189 1.990 2.406 309 HG21 THR 42 3HG2 THR 42 -4.583 -0.404 1.354 310 HG22 THR 42 1HG2 THR 42 -4.126 0.477 -0.105 311 HG23 THR 42 2HG2 THR 42 -5.787 0.550 0.487 312 H TYR 43 H TYR 43 -2.438 3.181 0.236 313 HA TYR 43 HA TYR 43 -1.670 1.338 -1.723 314 HB2 TYR 43 2HB TYR 43 -1.271 4.346 -1.588 315 HB3 TYR 43 3HB TYR 43 -0.925 3.378 -3.024 316 HD1 TYR 43 HD2 TYR 43 -2.813 2.119 -4.163 317 HD2 TYR 43 HD1 TYR 43 -3.575 4.985 -1.078 318 HE1 TYR 43 HE2 TYR 43 -5.147 2.277 -4.885 319 HE2 TYR 43 HE1 TYR 43 -5.912 5.128 -1.813 320 HH TYR 43 HH TYR 43 -7.235 4.720 -3.774 321 H TYR 44 H TYR 44 0.401 3.519 0.261 322 HA TYR 44 HA TYR 44 2.870 2.743 -0.651 323 HB2 TYR 44 2HB TYR 44 2.470 4.552 1.030 324 HB3 TYR 44 3HB TYR 44 2.138 3.333 2.259 325 HD1 TYR 44 HD2 TYR 44 4.819 4.370 -0.163 326 HD2 TYR 44 HD1 TYR 44 3.967 2.579 3.619 327 HE1 TYR 44 HE2 TYR 44 7.211 4.262 0.342 328 HE2 TYR 44 HE1 TYR 44 6.367 2.460 4.114 329 HH TYR 44 HH TYR 44 8.681 4.156 2.334 330 H HIS 45 H HIS 45 1.308 1.336 2.245 331 HA HIS 45 HA HIS 45 3.337 -0.594 2.648 332 HB2 HIS 45 2HB HIS 45 0.553 -0.384 3.859 333 HB3 HIS 45 3HB HIS 45 1.772 -1.533 4.406 334 HD1 HIS 45 HD1 HIS 45 3.493 -0.661 6.056 335 HD2 HIS 45 HD2 HIS 45 1.344 2.406 4.307 336 HE1 HIS 45 HE1 HIS 45 4.175 1.411 7.271 337 HE2 HIS 45 HE2 HIS 45 2.729 3.223 6.300 338 H LEU 46 H LEU 46 0.252 -0.848 0.961 339 HA LEU 46 HA LEU 46 0.211 -3.651 0.524 340 HB2 LEU 46 2HB LEU 46 -1.781 -2.278 0.144 341 HB3 LEU 46 3HB LEU 46 -0.965 -1.374 -1.120 342 HG LEU 46 HG LEU 46 -0.883 -3.436 -2.534 343 HD11 LEU 46 1HD1 LEU 46 -2.575 -4.760 -0.402 344 HD12 LEU 46 2HD1 LEU 46 -0.890 -5.143 -0.753 345 HD13 LEU 46 3HD1 LEU 46 -2.130 -5.442 -1.968 346 HD21 LEU 46 3HD2 LEU 46 -2.736 -1.875 -2.840 347 HD22 LEU 46 1HD2 LEU 46 -3.678 -2.724 -1.610 348 HD23 LEU 46 2HD2 LEU 46 -3.257 -3.534 -3.122 349 H GLY 47 H GLY 47 1.577 -0.925 -1.348 350 HA2 GLY 47 2HA GLY 47 2.360 -2.471 -3.617 351 HA3 GLY 47 3HA GLY 47 2.842 -0.824 -3.234 352 H LYS 48 H LYS 48 3.973 -1.374 -0.656 353 HA LYS 48 HA LYS 48 6.621 -2.071 -1.322 354 HB2 LYS 48 2HB LYS 48 5.388 -2.105 1.463 355 HB3 LYS 48 3HB LYS 48 7.107 -2.045 1.097 356 HG2 LYS 48 2HG LYS 48 5.061 0.134 0.615 357 HG3 LYS 48 3HG LYS 48 6.352 0.139 1.808 358 HD2 LYS 48 2HD LYS 48 6.803 0.120 -1.200 359 HD3 LYS 48 3HD LYS 48 6.781 1.581 -0.216 360 HE2 LYS 48 2HE LYS 48 8.736 0.804 1.029 361 HE3 LYS 48 3HE LYS 48 8.728 -0.722 0.136 362 HZ1 LYS 48 3HZ LYS 48 10.335 0.845 -0.763 363 HZ2 LYS 48 1HZ LYS 48 9.100 1.958 -1.080 364 HZ3 LYS 48 2HZ LYS 48 9.132 0.475 -1.894 365 H LEU 49 H LEU 49 3.935 -3.869 0.036 366 HA LEU 49 HA LEU 49 5.373 -6.287 0.594 367 HB2 LEU 49 2HB LEU 49 3.256 -5.674 1.737 368 HB3 LEU 49 3HB LEU 49 2.383 -5.847 0.223 369 HG LEU 49 HG LEU 49 2.790 -8.272 0.201 370 HD11 LEU 49 1HD1 LEU 49 3.948 -9.425 2.076 371 HD12 LEU 49 2HD1 LEU 49 4.418 -7.858 2.741 372 HD13 LEU 49 3HD1 LEU 49 5.035 -8.374 1.168 373 HD21 LEU 49 3HD2 LEU 49 0.829 -7.476 1.476 374 HD22 LEU 49 1HD2 LEU 49 1.810 -7.384 2.944 375 HD23 LEU 49 2HD2 LEU 49 1.494 -8.947 2.183 376 H TYR 50 H TYR 50 3.521 -5.042 -2.183 377 HA TYR 50 HA TYR 50 3.564 -7.341 -3.816 378 HB2 TYR 50 2HB TYR 50 3.323 -4.388 -4.430 379 HB3 TYR 50 3HB TYR 50 3.481 -5.538 -5.752 380 HD1 TYR 50 HD2 TYR 50 1.823 -7.812 -4.599 381 HD2 TYR 50 HD1 TYR 50 1.069 -3.608 -4.805 382 HE1 TYR 50 HE2 TYR 50 -0.587 -8.246 -4.620 383 HE2 TYR 50 HE1 TYR 50 -1.345 -4.056 -4.836 384 HH TYR 50 HH TYR 50 -2.674 -7.013 -4.002 385 H GLU 51 H GLU 51 5.940 -4.684 -3.527 386 HA GLU 51 HA GLU 51 7.743 -5.453 -5.535 387 HB2 GLU 51 2HB GLU 51 8.367 -4.125 -2.864 388 HB3 GLU 51 3HB GLU 51 9.455 -4.161 -4.251 389 HG2 GLU 51 2HG GLU 51 7.874 -2.814 -5.554 390 HG3 GLU 51 3HG GLU 51 6.731 -2.828 -4.213 391 H ARG 52 H ARG 52 7.359 -6.567 -2.232 392 HA ARG 52 HA ARG 52 9.709 -8.219 -2.098 393 HB2 ARG 52 2HB ARG 52 7.213 -8.080 -0.364 394 HB3 ARG 52 3HB ARG 52 8.656 -9.015 0.035 395 HG2 ARG 52 2HG ARG 52 9.994 -6.974 0.159 396 HG3 ARG 52 3HG ARG 52 8.609 -6.008 -0.356 397 HD2 ARG 52 2HD ARG 52 8.907 -5.807 2.044 398 HD3 ARG 52 3HD ARG 52 7.403 -6.664 1.699 399 HE ARG 52 HE ARG 52 9.358 -8.607 2.052 400 HH11 ARG 52 1HH1 ARG 52 7.856 -6.111 4.010 401 HH12 ARG 52 2HH1 ARG 52 8.139 -6.951 5.502 402 HH21 ARG 52 1HH2 ARG 52 9.714 -9.698 4.012 403 HH22 ARG 52 2HH2 ARG 52 9.185 -8.986 5.505 404 H LEU 53 H LEU 53 6.321 -8.730 -2.936 405 HA LEU 53 HA LEU 53 6.559 -11.627 -3.191 406 HB2 LEU 53 2HB LEU 53 4.307 -9.723 -3.924 407 HB3 LEU 53 3HB LEU 53 4.189 -11.477 -3.956 408 HG LEU 53 HG LEU 53 4.670 -9.818 -1.446 409 HD11 LEU 53 1HD1 LEU 53 2.425 -9.427 -2.312 410 HD12 LEU 53 2HD1 LEU 53 2.363 -10.374 -0.829 411 HD13 LEU 53 3HD1 LEU 53 2.126 -11.166 -2.388 412 HD21 LEU 53 3HD2 LEU 53 4.112 -12.792 -1.725 413 HD22 LEU 53 1HD2 LEU 53 4.236 -11.900 -0.208 414 HD23 LEU 53 2HD2 LEU 53 5.647 -12.064 -1.247 415 H ASP 54 H ASP 54 7.969 -9.425 -4.983 416 HA ASP 54 HA ASP 54 8.696 -9.119 -7.082 417 HB2 ASP 54 2HB ASP 54 9.288 -11.545 -6.751 418 HB3 ASP 54 3HB ASP 54 7.777 -11.997 -7.526 419 H ARG 55 H ARG 55 5.761 -8.801 -6.407 420 HA ARG 55 HA ARG 55 4.420 -8.805 -9.015 421 HB2 ARG 55 2HB ARG 55 3.393 -7.960 -6.258 422 HB3 ARG 55 3HB ARG 55 2.420 -8.064 -7.720 423 HG2 ARG 55 2HG ARG 55 3.709 -10.383 -6.244 424 HG3 ARG 55 3HG ARG 55 1.993 -9.972 -6.278 425 HD2 ARG 55 2HD ARG 55 3.686 -10.942 -8.597 426 HD3 ARG 55 3HD ARG 55 2.394 -11.831 -7.784 427 HE ARG 55 HE ARG 55 1.905 -9.340 -9.311 428 HH11 ARG 55 1HH1 ARG 55 1.000 -12.643 -8.593 429 HH12 ARG 55 2HH1 ARG 55 -0.337 -12.639 -9.698 430 HH21 ARG 55 1HH2 ARG 55 0.150 -9.315 -10.711 431 HH22 ARG 55 2HH2 ARG 55 -0.820 -10.746 -10.918 432 H THR 56 H THR 56 6.400 -7.273 -9.431 433 HA THR 56 HA THR 56 6.468 -4.650 -8.390 434 HB THR 56 HB THR 56 7.606 -5.700 -11.015 435 HG1 THR 56 HG1 THR 56 9.253 -5.353 -8.813 436 HG21 THR 56 3HG2 THR 56 8.435 -3.271 -9.367 437 HG22 THR 56 1HG2 THR 56 7.612 -3.216 -10.930 438 HG23 THR 56 2HG2 THR 56 9.247 -3.861 -10.815 439 H ASP 57 H ASP 57 4.871 -6.047 -11.240 440 HA ASP 57 HA ASP 57 4.105 -3.694 -12.594 441 HB2 ASP 57 2HB ASP 57 3.975 -6.135 -13.427 442 HB3 ASP 57 3HB ASP 57 2.490 -6.286 -12.503 443 H ASP 58 H ASP 58 2.543 -5.604 -10.101 444 HA ASP 58 HA ASP 58 0.110 -4.158 -9.859 445 HB2 ASP 58 2HB ASP 58 1.521 -5.959 -7.834 446 HB3 ASP 58 3HB ASP 58 -0.167 -5.453 -7.753 447 H ALA 59 H ALA 59 3.247 -3.987 -8.228 448 HA ALA 59 HA ALA 59 2.668 -2.188 -6.166 449 HB1 ALA 59 3HB ALA 59 5.091 -1.775 -6.070 450 HB2 ALA 59 1HB ALA 59 5.292 -2.543 -7.648 451 HB3 ALA 59 2HB ALA 59 4.749 -3.496 -6.264 452 H ILE 60 H ILE 60 3.947 -1.531 -9.457 453 HA ILE 60 HA ILE 60 4.248 1.261 -9.262 454 HB ILE 60 HB ILE 60 3.515 -0.191 -11.857 455 HG12 ILE 60 2HG1 ILE 60 5.355 -1.467 -10.897 456 HG13 ILE 60 3HG1 ILE 60 5.974 -0.525 -12.237 457 HG21 ILE 60 1HG2 ILE 60 3.530 2.257 -12.031 458 HG22 ILE 60 2HG2 ILE 60 4.861 1.564 -12.959 459 HG23 ILE 60 3HG2 ILE 60 5.177 2.316 -11.393 460 HD11 ILE 60 3HD1 ILE 60 6.916 1.079 -10.648 461 HD12 ILE 60 1HD1 ILE 60 7.531 -0.557 -10.412 462 HD13 ILE 60 2HD1 ILE 60 6.314 0.092 -9.312 463 H ASP 61 H ASP 61 1.534 -0.722 -10.296 464 HA ASP 61 HA ASP 61 -0.294 1.241 -11.143 465 HB2 ASP 61 2HB ASP 61 -0.511 -1.186 -11.639 466 HB3 ASP 61 3HB ASP 61 -0.798 -1.528 -9.938 467 H THR 62 H THR 62 0.081 -0.395 -7.996 468 HA THR 62 HA THR 62 -2.015 0.809 -6.585 469 HB THR 62 HB THR 62 0.621 -0.267 -5.463 470 HG1 THR 62 HG1 THR 62 -0.130 -2.102 -6.170 471 HG21 THR 62 3HG2 THR 62 -2.114 -0.012 -4.147 472 HG22 THR 62 1HG2 THR 62 -0.694 0.965 -3.763 473 HG23 THR 62 2HG2 THR 62 -0.688 -0.767 -3.429 474 H TYR 63 H TYR 63 1.394 1.751 -6.896 475 HA TYR 63 HA TYR 63 1.315 3.993 -5.154 476 HB2 TYR 63 2HB TYR 63 3.230 3.432 -7.441 477 HB3 TYR 63 3HB TYR 63 3.463 4.671 -6.207 478 HD1 TYR 63 HD1 TYR 63 2.753 3.256 -3.700 479 HD2 TYR 63 HD2 TYR 63 4.940 1.846 -7.083 480 HE1 TYR 63 HE1 TYR 63 3.963 1.679 -2.270 481 HE2 TYR 63 HE2 TYR 63 6.134 0.269 -5.653 482 HH TYR 63 HH TYR 63 6.713 0.023 -3.350 483 H ALA 64 H ALA 64 0.913 3.687 -8.694 484 HA ALA 64 HA ALA 64 0.764 6.335 -9.472 485 HB1 ALA 64 3HB ALA 64 -0.865 4.021 -10.587 486 HB2 ALA 64 1HB ALA 64 0.783 4.446 -11.059 487 HB3 ALA 64 2HB ALA 64 -0.547 5.552 -11.411 488 H GLN 65 H GLN 65 -1.952 4.266 -8.381 489 HA GLN 65 HA GLN 65 -3.961 6.290 -8.395 490 HB2 GLN 65 2HB GLN 65 -3.887 3.484 -7.923 491 HB3 GLN 65 3HB GLN 65 -4.460 4.148 -6.410 492 HG2 GLN 65 2HG GLN 65 -5.757 4.803 -9.065 493 HG3 GLN 65 3HG GLN 65 -6.211 3.397 -8.117 494 HE21 GLN 65 1HE2 GLN 65 -5.576 6.736 -6.917 495 HE22 GLN 65 2HE2 GLN 65 -7.155 6.966 -6.290 496 H GLY 66 H GLY 66 -1.723 5.069 -5.962 497 HA2 GLY 66 2HA GLY 66 -2.626 6.372 -3.667 498 HA3 GLY 66 3HA GLY 66 -0.973 5.855 -3.961 499 H ILE 67 H ILE 67 -0.412 7.512 -6.181 500 HA ILE 67 HA ILE 67 0.537 9.850 -4.987 501 HB ILE 67 HB ILE 67 0.231 8.975 -7.882 502 HG12 ILE 67 2HG1 ILE 67 2.757 9.374 -6.197 503 HG13 ILE 67 3HG1 ILE 67 1.927 7.832 -6.369 504 HG21 ILE 67 1HG2 ILE 67 1.588 11.548 -6.995 505 HG22 ILE 67 2HG2 ILE 67 0.121 11.423 -7.962 506 HG23 ILE 67 3HG2 ILE 67 1.657 10.865 -8.622 507 HD11 ILE 67 3HD1 ILE 67 3.180 9.398 -8.616 508 HD12 ILE 67 1HD1 ILE 67 2.414 7.810 -8.741 509 HD13 ILE 67 2HD1 ILE 67 3.890 8.010 -7.794 510 H GLU 68 H GLU 68 -2.328 9.281 -6.991 511 HA GLU 68 HA GLU 68 -3.188 11.932 -7.396 512 HB2 GLU 68 2HB GLU 68 -4.966 9.471 -7.097 513 HB3 GLU 68 3HB GLU 68 -5.375 10.967 -7.932 514 HG2 GLU 68 2HG GLU 68 -3.617 10.484 -9.614 515 HG3 GLU 68 3HG GLU 68 -3.258 8.973 -8.778 516 H VAL 69 H VAL 69 -3.939 9.590 -4.848 517 HA VAL 69 HA VAL 69 -5.675 11.449 -3.420 518 HB VAL 69 HB VAL 69 -6.084 9.636 -1.806 519 HG11 VAL 69 1HG1 VAL 69 -7.481 9.762 -3.832 520 HG12 VAL 69 2HG1 VAL 69 -7.271 8.086 -3.326 521 HG13 VAL 69 3HG1 VAL 69 -6.354 8.713 -4.697 522 HG21 VAL 69 3HG2 VAL 69 -3.876 8.530 -1.825 523 HG22 VAL 69 1HG2 VAL 69 -4.165 7.956 -3.472 524 HG23 VAL 69 2HG2 VAL 69 -5.165 7.371 -2.139 525 H ALA 70 H ALA 70 -2.314 10.658 -3.383 526 HA ALA 70 HA ALA 70 -1.755 11.229 -0.629 527 HB1 ALA 70 3HB ALA 70 -0.253 9.854 -1.989 528 HB2 ALA 70 1HB ALA 70 0.601 11.236 -1.297 529 HB3 ALA 70 2HB ALA 70 0.129 11.247 -3.000 530 H ARG 71 H ARG 71 -1.477 13.121 -3.627 531 HA ARG 71 HA ARG 71 -0.535 15.507 -2.357 532 HB2 ARG 71 2HB ARG 71 -0.978 16.595 -4.576 533 HB3 ARG 71 3HB ARG 71 0.006 15.140 -4.681 534 HG2 ARG 71 2HG ARG 71 -1.907 13.841 -5.450 535 HG3 ARG 71 3HG ARG 71 -2.965 15.244 -5.280 536 HD2 ARG 71 2HD ARG 71 -1.824 16.409 -7.065 537 HD3 ARG 71 3HD ARG 71 -0.564 15.173 -7.135 538 HE ARG 71 HE ARG 71 -1.991 13.747 -8.253 539 HH11 ARG 71 1HH1 ARG 71 -3.825 16.599 -7.321 540 HH12 ARG 71 2HH1 ARG 71 -5.101 16.279 -8.449 541 HH21 ARG 71 1HH2 ARG 71 -3.671 13.335 -9.690 542 HH22 ARG 71 2HH2 ARG 71 -5.021 14.422 -9.789 543 H GLU 72 H GLU 72 -3.747 14.223 -2.971 544 HA GLU 72 HA GLU 72 -5.058 16.778 -2.408 545 HB2 GLU 72 2HB GLU 72 -6.274 14.037 -2.944 546 HB3 GLU 72 3HB GLU 72 -7.159 15.558 -2.855 547 HG2 GLU 72 2HG GLU 72 -5.144 14.725 -4.963 548 HG3 GLU 72 3HG GLU 72 -6.880 14.946 -5.169 549 H GLU 73 H GLU 73 -5.039 13.518 -0.968 550 HA GLU 73 HA GLU 73 -6.427 14.461 1.433 551 HB2 GLU 73 2HB GLU 73 -5.845 11.640 0.447 552 HB3 GLU 73 3HB GLU 73 -6.839 12.041 1.843 553 HG2 GLU 73 2HG GLU 73 -7.432 12.743 -1.042 554 HG3 GLU 73 3HG GLU 73 -8.232 11.493 -0.090 555 H GLY 74 H GLY 74 -3.331 12.920 0.513 556 HA2 GLY 74 2HA GLY 74 -2.652 12.414 3.333 557 HA3 GLY 74 3HA GLY 74 -1.784 11.852 1.911 558 H THR 75 H THR 75 0.060 12.646 3.278 559 HA THR 75 HA THR 75 0.543 15.541 3.150 560 HB THR 75 HB THR 75 2.650 14.994 4.411 561 HG1 THR 75 HG1 THR 75 1.615 12.337 4.574 562 HG21 THR 75 3HG2 THR 75 0.141 13.846 5.686 563 HG22 THR 75 1HG2 THR 75 0.598 15.554 5.671 564 HG23 THR 75 2HG2 THR 75 1.590 14.381 6.541 565 H GLN 76 H GLN 76 2.805 16.192 2.472 566 HA GLN 76 HA GLN 76 3.414 15.425 -0.203 567 HB2 GLN 76 2HB GLN 76 3.817 17.705 0.752 568 HB3 GLN 76 3HB GLN 76 5.080 17.041 1.779 569 HG2 GLN 76 2HG GLN 76 6.050 18.189 -0.133 570 HG3 GLN 76 3HG GLN 76 6.418 16.466 -0.211 571 HE21 GLN 76 1HE2 GLN 76 6.749 16.435 -2.409 572 HE22 GLN 76 2HE2 GLN 76 5.498 16.669 -3.576 573 H LYS 77 H LYS 77 4.555 14.429 2.950 574 HA LYS 77 HA LYS 77 6.856 12.957 2.278 575 HB2 LYS 77 2HB LYS 77 6.380 13.451 4.606 576 HB3 LYS 77 3HB LYS 77 4.831 12.614 4.520 577 HG2 LYS 77 2HG LYS 77 6.121 10.459 4.105 578 HG3 LYS 77 3HG LYS 77 7.599 11.360 4.451 579 HD2 LYS 77 2HD LYS 77 6.858 11.820 6.719 580 HD3 LYS 77 3HD LYS 77 5.265 11.134 6.385 581 HE2 LYS 77 2HE LYS 77 6.307 8.905 6.062 582 HE3 LYS 77 3HE LYS 77 7.884 9.598 6.437 583 HZ1 LYS 77 3HZ LYS 77 7.119 10.121 8.635 584 HZ2 LYS 77 1HZ LYS 77 6.868 8.479 8.329 585 HZ3 LYS 77 2HZ LYS 77 5.567 9.555 8.285 586 H ASP 78 H ASP 78 3.437 11.952 2.621 587 HA ASP 78 HA ASP 78 3.704 9.225 1.961 588 HB2 ASP 78 2HB ASP 78 1.307 11.052 1.465 589 HB3 ASP 78 3HB ASP 78 1.259 9.292 1.376 590 H LEU 79 H LEU 79 2.995 12.051 -0.019 591 HA LEU 79 HA LEU 79 2.707 10.911 -2.534 592 HB2 LEU 79 2HB LEU 79 2.128 13.242 -1.859 593 HB3 LEU 79 3HB LEU 79 3.838 13.633 -1.771 594 HG LEU 79 HG LEU 79 4.049 13.299 -4.223 595 HD11 LEU 79 1HD1 LEU 79 2.031 12.990 -5.618 596 HD12 LEU 79 2HD1 LEU 79 1.068 12.741 -4.160 597 HD13 LEU 79 3HD1 LEU 79 2.347 11.597 -4.582 598 HD21 LEU 79 3HD2 LEU 79 3.531 15.547 -3.372 599 HD22 LEU 79 1HD2 LEU 79 1.801 15.197 -3.452 600 HD23 LEU 79 2HD2 LEU 79 2.760 15.280 -4.931 601 H SER 80 H SER 80 5.626 12.106 -0.893 602 HA SER 80 HA SER 80 7.463 11.769 -3.027 603 HB2 SER 80 2HB SER 80 7.869 13.289 -1.099 604 HB3 SER 80 3HB SER 80 7.999 11.895 -0.029 605 HG SER 80 HG SER 80 9.975 11.609 -0.670 606 H GLU 81 H GLU 81 6.458 9.689 -0.352 607 HA GLU 81 HA GLU 81 8.397 7.641 -0.616 608 HB2 GLU 81 2HB GLU 81 5.631 7.705 0.643 609 HB3 GLU 81 3HB GLU 81 6.684 6.305 0.743 610 HG2 GLU 81 2HG GLU 81 7.331 9.054 1.843 611 HG3 GLU 81 3HG GLU 81 6.734 7.691 2.784 612 H LEU 82 H LEU 82 5.142 8.046 -1.940 613 HA LEU 82 HA LEU 82 4.886 5.475 -3.142 614 HB2 LEU 82 2HB LEU 82 3.448 8.098 -3.666 615 HB3 LEU 82 3HB LEU 82 2.958 6.556 -4.359 616 HG LEU 82 HG LEU 82 3.120 6.977 -1.347 617 HD11 LEU 82 1HD1 LEU 82 0.703 7.373 -1.330 618 HD12 LEU 82 2HD1 LEU 82 0.688 7.381 -3.094 619 HD13 LEU 82 3HD1 LEU 82 1.558 8.636 -2.213 620 HD21 LEU 82 3HD2 LEU 82 3.084 4.635 -2.095 621 HD22 LEU 82 1HD2 LEU 82 1.603 4.939 -3.009 622 HD23 LEU 82 2HD2 LEU 82 1.598 5.054 -1.247 623 H GLN 83 H GLN 83 5.787 8.670 -4.424 624 HA GLN 83 HA GLN 83 6.093 7.990 -7.141 625 HB2 GLN 83 2HB GLN 83 7.402 10.192 -5.490 626 HB3 GLN 83 3HB GLN 83 7.570 10.067 -7.240 627 HG2 GLN 83 2HG GLN 83 5.143 10.357 -7.509 628 HG3 GLN 83 3HG GLN 83 4.945 10.449 -5.757 629 HE21 GLN 83 1HE2 GLN 83 5.703 12.309 -4.675 630 HE22 GLN 83 2HE2 GLN 83 6.005 13.793 -5.504 631 H ASP 84 H ASP 84 8.429 8.113 -4.472 632 HA ASP 84 HA ASP 84 10.779 7.417 -5.833 633 HB2 ASP 84 2HB ASP 84 10.830 8.335 -3.581 634 HB3 ASP 84 3HB ASP 84 9.939 6.962 -2.943 635 H ALA 85 H ALA 85 8.398 5.394 -4.138 636 HA ALA 85 HA ALA 85 9.846 2.991 -4.218 637 HB1 ALA 85 3HB ALA 85 8.027 3.438 -2.628 638 HB2 ALA 85 1HB ALA 85 7.769 1.923 -3.499 639 HB3 ALA 85 2HB ALA 85 6.853 3.369 -3.942 640 H LYS 86 H LYS 86 7.289 4.239 -6.414 641 HA LYS 86 HA LYS 86 7.244 1.912 -8.051 642 HB2 LYS 86 2HB LYS 86 5.975 3.241 -9.704 643 HB3 LYS 86 3HB LYS 86 5.315 3.347 -8.081 644 HG2 LYS 86 2HG LYS 86 6.272 5.584 -7.801 645 HG3 LYS 86 3HG LYS 86 7.006 5.490 -9.406 646 HD2 LYS 86 2HD LYS 86 4.017 5.452 -8.803 647 HD3 LYS 86 3HD LYS 86 4.924 6.829 -9.433 648 HE2 LYS 86 2HE LYS 86 5.480 5.475 -11.459 649 HE3 LYS 86 3HE LYS 86 4.457 4.178 -10.846 650 HZ1 LYS 86 3HZ LYS 86 2.580 5.742 -10.922 651 HZ2 LYS 86 1HZ LYS 86 3.273 5.489 -12.442 652 HZ3 LYS 86 2HZ LYS 86 3.591 6.916 -11.595 653 H LEU 87 H LEU 87 9.106 4.986 -8.367 654 HA LEU 87 HA LEU 87 10.033 4.364 -10.992 655 HB2 LEU 87 2HB LEU 87 11.597 6.238 -10.786 656 HB3 LEU 87 3HB LEU 87 9.969 6.669 -10.322 657 HG LEU 87 HG LEU 87 10.842 6.377 -7.853 658 HD11 LEU 87 1HD1 LEU 87 13.493 6.811 -9.261 659 HD12 LEU 87 2HD1 LEU 87 13.024 5.389 -8.328 660 HD13 LEU 87 3HD1 LEU 87 13.215 6.942 -7.521 661 HD21 LEU 87 3HD2 LEU 87 11.705 8.747 -9.540 662 HD22 LEU 87 1HD2 LEU 87 11.537 8.734 -7.781 663 HD23 LEU 87 2HD2 LEU 87 10.119 8.514 -8.800 664 H LYS 88 H LYS 88 11.405 3.763 -7.761 665 HA LYS 88 HA LYS 88 13.831 2.613 -8.776 666 HB2 LYS 88 2HB LYS 88 14.376 2.043 -6.477 667 HB3 LYS 88 3HB LYS 88 13.786 3.687 -6.579 668 HG2 LYS 88 2HG LYS 88 12.710 3.021 -4.667 669 HG3 LYS 88 3HG LYS 88 11.477 2.592 -5.852 670 HD2 LYS 88 2HD LYS 88 12.241 0.247 -5.796 671 HD3 LYS 88 3HD LYS 88 13.504 0.673 -4.638 672 HE2 LYS 88 2HE LYS 88 11.779 1.328 -2.998 673 HE3 LYS 88 3HE LYS 88 10.514 0.928 -4.162 674 HZ1 LYS 88 3HZ LYS 88 11.427 -1.374 -4.151 675 HZ2 LYS 88 1HZ LYS 88 10.734 -0.881 -2.686 676 HZ3 LYS 88 2HZ LYS 88 12.411 -0.928 -2.852 677 H ALA 89 H ALA 89 10.679 1.253 -7.809 678 HA ALA 89 HA ALA 89 11.346 -1.465 -7.858 679 HB1 ALA 89 3HB ALA 89 8.697 -0.181 -8.573 680 HB2 ALA 89 1HB ALA 89 9.230 -0.631 -6.954 681 HB3 ALA 89 2HB ALA 89 8.938 -1.882 -8.163 682 H GLU 90 H GLU 90 10.544 0.741 -10.528 683 HA GLU 90 HA GLU 90 10.453 -1.095 -12.660 684 HB2 GLU 90 2HB GLU 90 11.446 1.783 -12.618 685 HB3 GLU 90 3HB GLU 90 11.133 0.869 -14.089 686 HG2 GLU 90 2HG GLU 90 9.012 1.438 -12.001 687 HG3 GLU 90 3HG GLU 90 9.324 2.487 -13.380 688 H GLY 91 H GLY 91 13.167 0.342 -10.944 689 HA2 GLY 91 2HA GLY 91 15.322 -0.428 -12.559 690 HA3 GLY 91 3HA GLY 91 15.388 -0.124 -10.833 691 H LEU 92 H LEU 92 13.443 -2.332 -10.222 692 HA LEU 92 HA LEU 92 15.183 -4.531 -9.878 693 HB2 LEU 92 2HB LEU 92 12.141 -4.485 -9.987 694 HB3 LEU 92 3HB LEU 92 13.082 -5.880 -9.475 695 HG LEU 92 HG LEU 92 13.034 -3.190 -8.054 696 HD11 LEU 92 1HD1 LEU 92 10.891 -4.370 -7.812 697 HD12 LEU 92 2HD1 LEU 92 11.774 -4.342 -6.286 698 HD13 LEU 92 3HD1 LEU 92 11.739 -5.818 -7.255 699 HD21 LEU 92 3HD2 LEU 92 14.289 -4.352 -6.263 700 HD22 LEU 92 1HD2 LEU 92 15.200 -4.315 -7.773 701 HD23 LEU 92 2HD2 LEU 92 14.387 -5.799 -7.268 702 H GLU 93 H GLU 93 12.892 -3.715 -12.429 703 HA GLU 93 HA GLU 93 13.478 -6.190 -13.938 704 HB2 GLU 93 2HB GLU 93 11.261 -4.141 -14.347 705 HB3 GLU 93 3HB GLU 93 11.433 -5.677 -15.198 706 HG2 GLU 93 2HG GLU 93 11.097 -6.883 -13.044 707 HG3 GLU 93 3HG GLU 93 10.874 -5.335 -12.229 708 H HIS 94 H HIS 94 15.206 -3.629 -13.764 709 HA HIS 94 HA HIS 94 15.140 -2.384 -16.322 710 HB2 HIS 94 2HB HIS 94 17.100 -1.233 -15.726 711 HB3 HIS 94 3HB HIS 94 16.406 -1.595 -14.158 712 HD1 HIS 94 HD1 HIS 94 17.868 -3.020 -12.557 713 HD2 HIS 94 HD2 HIS 94 19.495 -2.676 -16.352 714 HE1 HIS 94 HE1 HIS 94 20.189 -3.900 -12.368 715 HE2 HIS 94 HE2 HIS 94 21.087 -3.851 -14.712 716 H HIS 95 H HIS 95 16.500 -5.356 -15.150 717 HA HIS 95 HA HIS 95 18.268 -5.943 -17.292 718 HB2 HIS 95 2HB HIS 95 18.416 -8.176 -16.369 719 HB3 HIS 95 3HB HIS 95 18.371 -7.045 -15.029 720 HD1 HIS 95 HD1 HIS 95 16.754 -10.055 -16.319 721 HD2 HIS 95 HD2 HIS 95 15.773 -7.022 -13.667 722 HE1 HIS 95 HE1 HIS 95 14.824 -10.923 -14.994 723 HE2 HIS 95 HE2 HIS 95 14.356 -9.143 -13.285 724 H HIS 96 H HIS 96 17.874 -6.806 -19.274 725 HA HIS 96 HA HIS 96 15.125 -6.929 -20.213 726 HB2 HIS 96 2HB HIS 96 17.768 -7.249 -21.700 727 HB3 HIS 96 3HB HIS 96 16.189 -7.248 -22.471 728 HD1 HIS 96 HD1 HIS 96 15.503 -5.045 -23.374 729 HD2 HIS 96 HD2 HIS 96 18.206 -4.626 -20.251 730 HE1 HIS 96 HE1 HIS 96 16.019 -2.595 -23.248 731 HE2 HIS 96 HE2 HIS 96 17.510 -2.349 -21.236 732 H HIS 97 H HIS 97 14.459 -8.740 -19.040 733 HA HIS 97 HA HIS 97 13.892 -10.856 -18.591 734 HB2 HIS 97 2HB HIS 97 12.814 -11.998 -20.450 735 HB3 HIS 97 3HB HIS 97 12.554 -10.266 -20.556 736 HD1 HIS 97 HD1 HIS 97 13.719 -13.139 -22.477 737 HD2 HIS 97 HD2 HIS 97 14.141 -9.016 -22.702 738 HE1 HIS 97 HE1 HIS 97 14.535 -12.675 -24.797 739 HE2 HIS 97 HE2 HIS 97 14.727 -10.165 -24.929 740 H HIS 98 H HIS 98 16.199 -11.417 -21.292 741 HA HIS 98 HA HIS 98 17.887 -12.816 -21.654 742 HB2 HIS 98 2HB HIS 98 17.511 -13.632 -18.772 743 HB3 HIS 98 3HB HIS 98 18.508 -14.637 -19.817 744 HD1 HIS 98 HD1 HIS 98 19.339 -12.718 -17.298 745 HD2 HIS 98 HD2 HIS 98 20.101 -12.131 -21.340 746 HE1 HIS 98 HE1 HIS 98 21.401 -11.305 -17.403 747 HE2 HIS 98 HE2 HIS 98 21.913 -11.056 -19.847 748 H HIS 99 H HIS 99 17.538 -14.218 -23.174 749 HA HIS 99 HA HIS 99 16.279 -16.763 -22.765 750 HB2 HIS 99 2HB HIS 99 14.247 -15.353 -23.111 751 HB3 HIS 99 3HB HIS 99 14.905 -14.771 -24.637 752 HD1 HIS 99 HD1 HIS 99 13.939 -15.951 -26.591 753 HD2 HIS 99 HD2 HIS 99 14.023 -18.386 -23.224 754 HE1 HIS 99 HE1 HIS 99 12.887 -18.115 -27.295 755 HE2 HIS 99 HE2 HIS 99 12.819 -19.511 -25.209 Start of MODEL 20 1 H1 GLU 1 1H GLU 1 -12.755 -0.210 17.815 2 H2 GLU 1 2H GLU 1 -12.592 0.114 19.463 3 H3 GLU 1 3H GLU 1 -13.864 -0.852 18.920 4 HA GLU 1 HA GLU 1 -11.005 -1.520 18.668 5 HB2 GLU 1 2HB GLU 1 -13.069 -2.590 20.644 6 HB3 GLU 1 3HB GLU 1 -11.393 -3.125 20.510 7 HG2 GLU 1 2HG GLU 1 -10.630 -0.853 21.168 8 HG3 GLU 1 3HG GLU 1 -12.311 -0.347 21.343 9 H ASP 2 H ASP 2 -13.665 -1.673 16.937 10 HA ASP 2 HA ASP 2 -13.884 -4.504 16.369 11 HB2 ASP 2 2HB ASP 2 -14.913 -2.091 14.807 12 HB3 ASP 2 3HB ASP 2 -15.281 -3.767 14.408 13 HA PRO 3 HA PRO 3 -10.348 -4.736 13.458 14 HB2 PRO 3 2HB PRO 3 -11.983 -7.007 12.326 15 HB3 PRO 3 3HB PRO 3 -10.284 -6.979 12.822 16 HG2 PRO 3 2HG PRO 3 -12.121 -8.178 14.344 17 HG3 PRO 3 3HG PRO 3 -10.799 -7.245 15.083 18 HD2 PRO 3 2HD PRO 3 -13.686 -6.459 14.682 19 HD3 PRO 3 3HD PRO 3 -12.622 -6.162 16.077 20 H GLU 4 H GLU 4 -13.702 -4.464 12.682 21 HA GLU 4 HA GLU 4 -13.746 -4.279 9.917 22 HB2 GLU 4 2HB GLU 4 -15.545 -2.916 11.955 23 HB3 GLU 4 3HB GLU 4 -15.913 -3.091 10.236 24 HG2 GLU 4 2HG GLU 4 -15.893 -5.553 10.483 25 HG3 GLU 4 3HG GLU 4 -15.539 -5.377 12.203 26 H ASP 5 H ASP 5 -12.947 -1.815 12.307 27 HA ASP 5 HA ASP 5 -13.158 0.485 10.705 28 HB2 ASP 5 2HB ASP 5 -11.404 -0.084 13.128 29 HB3 ASP 5 3HB ASP 5 -11.559 1.512 12.397 30 HA PRO 6 HA PRO 6 -9.995 0.064 7.684 31 HB2 PRO 6 2HB PRO 6 -9.213 2.743 7.349 32 HB3 PRO 6 3HB PRO 6 -10.620 1.983 6.594 33 HG2 PRO 6 2HG PRO 6 -10.476 3.659 9.091 34 HG3 PRO 6 3HG PRO 6 -11.688 3.686 7.791 35 HD2 PRO 6 2HD PRO 6 -12.196 2.477 10.130 36 HD3 PRO 6 3HD PRO 6 -12.780 1.774 8.605 37 H PHE 7 H PHE 7 -8.922 2.424 10.230 38 HA PHE 7 HA PHE 7 -6.165 1.936 9.954 39 HB2 PHE 7 2HB PHE 7 -7.070 3.894 11.198 40 HB3 PHE 7 3HB PHE 7 -7.608 2.825 12.491 41 HD1 PHE 7 HD1 PHE 7 -4.599 4.190 10.774 42 HD2 PHE 7 HD2 PHE 7 -6.028 2.005 14.164 43 HE1 PHE 7 HE1 PHE 7 -2.373 4.325 11.811 44 HE2 PHE 7 HE2 PHE 7 -3.800 2.159 15.195 45 HZ PHE 7 HZ PHE 7 -1.973 3.314 14.019 46 H THR 8 H THR 8 -8.604 0.237 11.856 47 HA THR 8 HA THR 8 -6.805 -1.083 13.609 48 HB THR 8 HB THR 8 -9.670 -1.860 12.922 49 HG1 THR 8 HG1 THR 8 -8.531 0.123 14.576 50 HG21 THR 8 3HG2 THR 8 -9.706 -2.856 15.202 51 HG22 THR 8 1HG2 THR 8 -8.003 -2.447 15.415 52 HG23 THR 8 2HG2 THR 8 -8.480 -3.635 14.201 53 H ARG 9 H ARG 9 -8.486 -2.140 10.610 54 HA ARG 9 HA ARG 9 -7.222 -4.737 10.579 55 HB2 ARG 9 2HB ARG 9 -8.345 -5.123 8.479 56 HB3 ARG 9 3HB ARG 9 -9.465 -4.365 9.597 57 HG2 ARG 9 2HG ARG 9 -8.863 -2.151 8.404 58 HG3 ARG 9 3HG ARG 9 -8.149 -3.181 7.160 59 HD2 ARG 9 2HD ARG 9 -11.056 -2.993 8.005 60 HD3 ARG 9 3HD ARG 9 -10.354 -2.706 6.416 61 HE ARG 9 HE ARG 9 -10.024 -5.100 6.170 62 HH11 ARG 9 1HH1 ARG 9 -12.151 -4.171 8.809 63 HH12 ARG 9 2HH1 ARG 9 -12.896 -5.736 8.906 64 HH21 ARG 9 1HH2 ARG 9 -11.024 -7.167 6.365 65 HH22 ARG 9 2HH2 ARG 9 -12.276 -7.396 7.547 66 H TYR 10 H TYR 10 -6.478 -1.580 9.257 67 HA TYR 10 HA TYR 10 -4.422 -2.235 7.432 68 HB2 TYR 10 2HB TYR 10 -5.314 0.008 7.460 69 HB3 TYR 10 3HB TYR 10 -4.908 0.225 9.155 70 HD1 TYR 10 HD1 TYR 10 -3.168 -0.495 5.883 71 HD2 TYR 10 HD2 TYR 10 -3.016 1.540 9.639 72 HE1 TYR 10 HE1 TYR 10 -1.052 0.573 5.227 73 HE2 TYR 10 HE2 TYR 10 -0.906 2.611 8.973 74 HH TYR 10 HH TYR 10 0.236 2.610 5.801 75 H ALA 11 H ALA 11 -4.210 -1.326 10.866 76 HA ALA 11 HA ALA 11 -1.424 -1.765 11.178 77 HB1 ALA 11 3HB ALA 11 -2.680 -0.264 12.670 78 HB2 ALA 11 1HB ALA 11 -1.861 -1.527 13.595 79 HB3 ALA 11 2HB ALA 11 -3.598 -1.634 13.294 80 H LEU 12 H LEU 12 -4.291 -3.767 11.534 81 HA LEU 12 HA LEU 12 -3.123 -6.035 12.802 82 HB2 LEU 12 2HB LEU 12 -5.562 -5.645 12.752 83 HB3 LEU 12 3HB LEU 12 -5.572 -5.817 11.009 84 HG LEU 12 HG LEU 12 -4.896 -8.220 11.259 85 HD11 LEU 12 1HD1 LEU 12 -5.041 -9.325 13.446 86 HD12 LEU 12 2HD1 LEU 12 -5.290 -7.768 14.236 87 HD13 LEU 12 3HD1 LEU 12 -3.759 -8.116 13.427 88 HD21 LEU 12 3HD2 LEU 12 -7.461 -7.470 12.708 89 HD22 LEU 12 1HD2 LEU 12 -7.086 -9.048 12.004 90 HD23 LEU 12 2HD2 LEU 12 -7.264 -7.641 10.960 91 H ALA 13 H ALA 13 -3.517 -5.013 9.445 92 HA ALA 13 HA ALA 13 -2.587 -7.371 8.169 93 HB1 ALA 13 3HB ALA 13 -2.398 -5.980 6.156 94 HB2 ALA 13 1HB ALA 13 -2.586 -4.519 7.132 95 HB3 ALA 13 2HB ALA 13 -3.920 -5.664 6.993 96 H GLN 14 H GLN 14 -0.975 -4.359 9.195 97 HA GLN 14 HA GLN 14 1.657 -4.988 8.413 98 HB2 GLN 14 2HB GLN 14 0.764 -3.335 10.814 99 HB3 GLN 14 3HB GLN 14 2.371 -3.312 10.083 100 HG2 GLN 14 2HG GLN 14 1.308 -2.481 7.961 101 HG3 GLN 14 3HG GLN 14 -0.218 -2.349 8.836 102 HE21 GLN 14 1HE2 GLN 14 1.356 -0.279 7.559 103 HE22 GLN 14 2HE2 GLN 14 1.710 0.893 8.773 104 H GLU 15 H GLU 15 -0.172 -5.822 11.347 105 HA GLU 15 HA GLU 15 1.936 -7.116 12.744 106 HB2 GLU 15 2HB GLU 15 -1.079 -7.460 12.960 107 HB3 GLU 15 3HB GLU 15 0.077 -8.236 14.046 108 HG2 GLU 15 2HG GLU 15 0.883 -6.032 14.784 109 HG3 GLU 15 3HG GLU 15 -0.237 -5.239 13.681 110 H HIS 16 H HIS 16 -0.479 -8.264 10.395 111 HA HIS 16 HA HIS 16 0.216 -10.988 10.415 112 HB2 HIS 16 2HB HIS 16 -1.025 -9.285 8.229 113 HB3 HIS 16 3HB HIS 16 -0.770 -11.017 8.047 114 HD1 HIS 16 HD1 HIS 16 -1.792 -12.261 10.493 115 HD2 HIS 16 HD2 HIS 16 -3.635 -8.913 8.867 116 HE1 HIS 16 HE1 HIS 16 -4.121 -12.270 11.399 117 HE2 HIS 16 HE2 HIS 16 -5.275 -10.377 10.225 118 H LEU 17 H LEU 17 1.571 -8.279 8.499 119 HA LEU 17 HA LEU 17 3.252 -9.712 6.804 120 HB2 LEU 17 2HB LEU 17 3.474 -6.921 7.962 121 HB3 LEU 17 3HB LEU 17 4.672 -7.540 6.836 122 HG LEU 17 HG LEU 17 1.709 -7.188 6.235 123 HD11 LEU 17 1HD1 LEU 17 2.835 -5.030 6.361 124 HD12 LEU 17 2HD1 LEU 17 2.424 -5.411 4.691 125 HD13 LEU 17 3HD1 LEU 17 4.091 -5.589 5.251 126 HD21 LEU 17 3HD2 LEU 17 3.965 -8.131 4.434 127 HD22 LEU 17 1HD2 LEU 17 2.318 -7.763 3.912 128 HD23 LEU 17 2HD2 LEU 17 2.608 -9.099 5.018 129 H LYS 18 H LYS 18 3.981 -8.377 10.028 130 HA LYS 18 HA LYS 18 6.666 -9.415 10.089 131 HB2 LYS 18 2HB LYS 18 6.677 -8.573 12.456 132 HB3 LYS 18 3HB LYS 18 6.238 -7.361 11.260 133 HG2 LYS 18 2HG LYS 18 3.822 -7.768 11.841 134 HG3 LYS 18 3HG LYS 18 4.368 -8.806 13.157 135 HD2 LYS 18 2HD LYS 18 5.183 -5.882 12.895 136 HD3 LYS 18 3HD LYS 18 3.742 -6.396 13.768 137 HE2 LYS 18 2HE LYS 18 5.485 -6.048 15.379 138 HE3 LYS 18 3HE LYS 18 5.222 -7.785 15.263 139 HZ1 LYS 18 3HZ LYS 18 7.566 -7.132 15.352 140 HZ2 LYS 18 1HZ LYS 18 7.393 -6.315 13.883 141 HZ3 LYS 18 2HZ LYS 18 7.191 -7.992 13.948 142 H HIS 19 H HIS 19 3.544 -10.655 11.067 143 HA HIS 19 HA HIS 19 4.666 -12.959 12.490 144 HB2 HIS 19 2HB HIS 19 1.827 -12.169 11.757 145 HB3 HIS 19 3HB HIS 19 2.204 -13.730 12.475 146 HD1 HIS 19 HD1 HIS 19 0.968 -13.357 14.649 147 HD2 HIS 19 HD2 HIS 19 3.757 -10.372 13.875 148 HE1 HIS 19 HE1 HIS 19 1.081 -11.978 16.735 149 HE2 HIS 19 HE2 HIS 19 2.605 -10.067 16.164 150 H ASP 20 H ASP 20 4.834 -12.231 9.381 151 HA ASP 20 HA ASP 20 5.451 -13.398 7.557 152 HB2 ASP 20 2HB ASP 20 6.534 -14.989 9.104 153 HB3 ASP 20 3HB ASP 20 5.034 -15.889 9.256 154 H ASN 21 H ASN 21 2.422 -13.342 8.749 155 HA ASN 21 HA ASN 21 0.998 -14.938 6.786 156 HB2 ASN 21 2HB ASN 21 -0.005 -12.916 8.847 157 HB3 ASN 21 3HB ASN 21 -1.035 -13.982 7.899 158 HD21 ASN 21 1HD2 ASN 21 0.575 -16.351 8.145 159 HD22 ASN 21 2HD2 ASN 21 0.473 -16.862 9.790 160 H ALA 22 H ALA 22 2.505 -13.484 5.247 161 HA ALA 22 HA ALA 22 1.896 -10.814 4.631 162 HB1 ALA 22 3HB ALA 22 3.156 -11.221 2.559 163 HB2 ALA 22 1HB ALA 22 3.059 -12.962 2.824 164 HB3 ALA 22 2HB ALA 22 3.975 -11.948 3.941 165 H SER 23 H SER 23 0.658 -13.856 3.334 166 HA SER 23 HA SER 23 -1.004 -12.963 1.292 167 HB2 SER 23 2HB SER 23 -2.219 -15.155 1.702 168 HB3 SER 23 3HB SER 23 -0.468 -15.313 1.559 169 HG SER 23 HG SER 23 -2.051 -15.969 3.621 170 H ARG 24 H ARG 24 -1.786 -13.417 4.782 171 HA ARG 24 HA ARG 24 -4.526 -12.699 4.617 172 HB2 ARG 24 2HB ARG 24 -2.549 -12.752 6.933 173 HB3 ARG 24 3HB ARG 24 -4.269 -12.442 7.143 174 HG2 ARG 24 2HG ARG 24 -3.100 -14.993 5.975 175 HG3 ARG 24 3HG ARG 24 -3.633 -14.786 7.651 176 HD2 ARG 24 2HD ARG 24 -5.924 -14.274 6.827 177 HD3 ARG 24 3HD ARG 24 -5.379 -14.568 5.170 178 HE ARG 24 HE ARG 24 -4.738 -16.891 6.205 179 HH11 ARG 24 1HH1 ARG 24 -7.697 -15.085 6.802 180 HH12 ARG 24 2HH1 ARG 24 -8.617 -16.501 7.196 181 HH21 ARG 24 1HH2 ARG 24 -5.965 -18.732 6.704 182 HH22 ARG 24 2HH2 ARG 24 -7.640 -18.564 7.134 183 H ALA 25 H ALA 25 -1.580 -10.904 5.313 184 HA ALA 25 HA ALA 25 -2.652 -8.369 5.927 185 HB1 ALA 25 3HB ALA 25 -0.318 -8.990 6.365 186 HB2 ALA 25 1HB ALA 25 -0.399 -7.533 5.373 187 HB3 ALA 25 2HB ALA 25 -0.001 -9.088 4.634 188 H LEU 26 H LEU 26 -1.873 -9.992 2.921 189 HA LEU 26 HA LEU 26 -1.844 -7.822 1.124 190 HB2 LEU 26 2HB LEU 26 -0.885 -10.087 0.661 191 HB3 LEU 26 3HB LEU 26 -2.509 -10.743 0.576 192 HG LEU 26 HG LEU 26 -2.956 -9.288 -1.425 193 HD11 LEU 26 1HD1 LEU 26 -1.093 -8.216 -2.605 194 HD12 LEU 26 2HD1 LEU 26 0.007 -8.635 -1.289 195 HD13 LEU 26 3HD1 LEU 26 -1.320 -7.504 -1.009 196 HD21 LEU 26 3HD2 LEU 26 -1.636 -10.628 -3.010 197 HD22 LEU 26 1HD2 LEU 26 -2.297 -11.634 -1.723 198 HD23 LEU 26 2HD2 LEU 26 -0.591 -11.174 -1.699 199 H ALA 27 H ALA 27 -4.329 -10.260 1.779 200 HA ALA 27 HA ALA 27 -6.429 -9.257 0.261 201 HB1 ALA 27 3HB ALA 27 -7.883 -10.660 1.656 202 HB2 ALA 27 1HB ALA 27 -6.605 -10.814 2.862 203 HB3 ALA 27 2HB ALA 27 -6.390 -11.510 1.253 204 H LEU 28 H LEU 28 -5.570 -8.465 3.671 205 HA LEU 28 HA LEU 28 -7.774 -6.762 4.189 206 HB2 LEU 28 2HB LEU 28 -5.030 -6.930 5.459 207 HB3 LEU 28 3HB LEU 28 -6.214 -5.742 5.990 208 HG LEU 28 HG LEU 28 -6.552 -8.771 6.125 209 HD11 LEU 28 1HD1 LEU 28 -6.468 -8.465 8.565 210 HD12 LEU 28 2HD1 LEU 28 -6.179 -6.737 8.349 211 HD13 LEU 28 3HD1 LEU 28 -4.976 -7.908 7.805 212 HD21 LEU 28 3HD2 LEU 28 -8.661 -8.323 7.326 213 HD22 LEU 28 1HD2 LEU 28 -8.720 -7.689 5.681 214 HD23 LEU 28 2HD2 LEU 28 -8.468 -6.591 7.041 215 H PHE 29 H PHE 29 -4.528 -6.003 2.884 216 HA PHE 29 HA PHE 29 -4.848 -3.186 2.833 217 HB2 PHE 29 2HB PHE 29 -2.968 -5.019 1.314 218 HB3 PHE 29 3HB PHE 29 -2.930 -3.274 1.127 219 HD1 PHE 29 HD2 PHE 29 -3.146 -2.236 3.850 220 HD2 PHE 29 HD1 PHE 29 -1.000 -5.654 2.428 221 HE1 PHE 29 HE2 PHE 29 -1.564 -2.041 5.727 222 HE2 PHE 29 HE1 PHE 29 0.579 -5.438 4.300 223 HZ PHE 29 HZ PHE 29 0.297 -3.634 5.956 224 H GLU 30 H GLU 30 -5.278 -5.687 0.324 225 HA GLU 30 HA GLU 30 -6.105 -4.054 -1.812 226 HB2 GLU 30 2HB GLU 30 -6.802 -6.953 -1.177 227 HB3 GLU 30 3HB GLU 30 -7.094 -6.182 -2.732 228 HG2 GLU 30 2HG GLU 30 -4.678 -5.854 -3.045 229 HG3 GLU 30 3HG GLU 30 -4.364 -6.565 -1.465 230 H GLU 31 H GLU 31 -7.815 -5.323 0.955 231 HA GLU 31 HA GLU 31 -10.473 -4.713 0.049 232 HB2 GLU 31 2HB GLU 31 -9.996 -6.539 1.626 233 HB3 GLU 31 3HB GLU 31 -9.424 -5.382 2.820 234 HG2 GLU 31 2HG GLU 31 -11.634 -4.498 3.140 235 HG3 GLU 31 3HG GLU 31 -12.260 -5.392 1.750 236 H LEU 32 H LEU 32 -8.039 -3.115 2.064 237 HA LEU 32 HA LEU 32 -9.538 -0.946 3.025 238 HB2 LEU 32 2HB LEU 32 -6.603 -1.265 2.360 239 HB3 LEU 32 3HB LEU 32 -7.229 0.232 3.030 240 HG LEU 32 HG LEU 32 -7.554 -2.437 4.446 241 HD11 LEU 32 1HD1 LEU 32 -5.650 -1.847 5.861 242 HD12 LEU 32 2HD1 LEU 32 -5.355 -0.406 4.889 243 HD13 LEU 32 3HD1 LEU 32 -5.150 -2.005 4.175 244 HD21 LEU 32 3HD2 LEU 32 -7.964 -1.030 6.418 245 HD22 LEU 32 1HD2 LEU 32 -9.124 -0.690 5.136 246 HD23 LEU 32 2HD2 LEU 32 -7.786 0.424 5.432 247 H VAL 33 H VAL 33 -7.775 -1.415 0.000 248 HA VAL 33 HA VAL 33 -8.097 1.167 -1.113 249 HB VAL 33 HB VAL 33 -7.622 -1.524 -2.475 250 HG11 VAL 33 1HG1 VAL 33 -8.563 0.032 -4.128 251 HG12 VAL 33 2HG1 VAL 33 -6.858 -0.259 -4.470 252 HG13 VAL 33 3HG1 VAL 33 -7.360 1.250 -3.700 253 HG21 VAL 33 3HG2 VAL 33 -5.669 0.701 -1.759 254 HG22 VAL 33 1HG2 VAL 33 -5.255 -0.802 -2.590 255 HG23 VAL 33 2HG2 VAL 33 -5.825 -0.842 -0.921 256 H GLU 34 H GLU 34 -9.920 -1.880 -1.741 257 HA GLU 34 HA GLU 34 -11.637 -0.826 -3.694 258 HB2 GLU 34 2HB GLU 34 -12.927 -2.889 -3.503 259 HB3 GLU 34 3HB GLU 34 -11.209 -3.259 -3.372 260 HG2 GLU 34 2HG GLU 34 -11.470 -3.349 -0.886 261 HG3 GLU 34 3HG GLU 34 -13.202 -3.114 -1.083 262 H THR 35 H THR 35 -12.031 -0.938 -0.140 263 HA THR 35 HA THR 35 -14.761 0.042 -0.225 264 HB THR 35 HB THR 35 -14.592 0.047 2.269 265 HG1 THR 35 HG1 THR 35 -12.083 -1.186 2.197 266 HG21 THR 35 3HG2 THR 35 -15.242 -2.068 1.165 267 HG22 THR 35 1HG2 THR 35 -14.294 -2.388 2.617 268 HG23 THR 35 2HG2 THR 35 -13.545 -2.531 1.025 269 H ASP 36 H ASP 36 -11.526 1.342 0.395 270 HA ASP 36 HA ASP 36 -12.587 4.082 0.631 271 HB2 ASP 36 2HB ASP 36 -12.189 3.006 2.951 272 HB3 ASP 36 3HB ASP 36 -10.478 3.015 2.554 273 HA PRO 37 HA PRO 37 -9.018 4.024 -2.297 274 HB2 PRO 37 2HB PRO 37 -10.317 6.381 -3.519 275 HB3 PRO 37 3HB PRO 37 -9.953 4.812 -4.243 276 HG2 PRO 37 2HG PRO 37 -12.497 5.596 -3.694 277 HG3 PRO 37 3HG PRO 37 -11.987 3.896 -3.603 278 HD2 PRO 37 2HD PRO 37 -12.310 5.898 -1.362 279 HD3 PRO 37 3HD PRO 37 -12.861 4.206 -1.443 280 H ASP 38 H ASP 38 -10.091 6.300 -0.006 281 HA ASP 38 HA ASP 38 -8.244 8.469 -0.640 282 HB2 ASP 38 2HB ASP 38 -9.979 8.106 1.841 283 HB3 ASP 38 3HB ASP 38 -9.214 9.600 1.306 284 H TYR 39 H TYR 39 -8.360 5.651 1.404 285 HA TYR 39 HA TYR 39 -6.520 6.391 3.415 286 HB2 TYR 39 2HB TYR 39 -8.203 4.318 3.240 287 HB3 TYR 39 3HB TYR 39 -6.802 3.486 2.577 288 HD1 TYR 39 HD2 TYR 39 -4.747 3.192 4.015 289 HD2 TYR 39 HD1 TYR 39 -8.358 4.820 5.611 290 HE1 TYR 39 HE2 TYR 39 -3.926 2.786 6.281 291 HE2 TYR 39 HE1 TYR 39 -7.517 4.431 7.886 292 HH TYR 39 HH TYR 39 -4.299 3.689 8.543 293 H VAL 40 H VAL 40 -4.665 7.310 2.610 294 HA VAL 40 HA VAL 40 -3.248 6.472 0.298 295 HB VAL 40 HB VAL 40 -2.309 8.276 2.588 296 HG11 VAL 40 1HG1 VAL 40 -0.736 9.237 0.930 297 HG12 VAL 40 2HG1 VAL 40 -1.244 8.035 -0.256 298 HG13 VAL 40 3HG1 VAL 40 -0.412 7.527 1.217 299 HG21 VAL 40 3HG2 VAL 40 -3.674 9.039 -0.028 300 HG22 VAL 40 1HG2 VAL 40 -3.057 10.172 1.182 301 HG23 VAL 40 2HG2 VAL 40 -4.403 9.104 1.576 302 H GLY 41 H GLY 41 -2.770 5.874 3.756 303 HA2 GLY 41 2HA GLY 41 -0.108 4.974 3.782 304 HA3 GLY 41 3HA GLY 41 -1.325 4.605 4.992 305 H THR 42 H THR 42 -3.087 3.272 3.037 306 HA THR 42 HA THR 42 -2.189 0.611 3.155 307 HB THR 42 HB THR 42 -4.293 1.886 1.348 308 HG1 THR 42 HG1 THR 42 -5.655 1.400 2.964 309 HG21 THR 42 3HG2 THR 42 -3.796 -1.058 1.957 310 HG22 THR 42 1HG2 THR 42 -3.599 -0.272 0.387 311 HG23 THR 42 2HG2 THR 42 -5.202 -0.418 1.105 312 H TYR 43 H TYR 43 -2.167 2.978 0.461 313 HA TYR 43 HA TYR 43 -1.577 1.186 -1.598 314 HB2 TYR 43 2HB TYR 43 -1.131 4.184 -1.398 315 HB3 TYR 43 3HB TYR 43 -0.860 3.270 -2.881 316 HD1 TYR 43 HD1 TYR 43 -2.822 1.976 -3.905 317 HD2 TYR 43 HD2 TYR 43 -3.373 4.893 -0.821 318 HE1 TYR 43 HE1 TYR 43 -5.196 2.163 -4.493 319 HE2 TYR 43 HE2 TYR 43 -5.747 5.067 -1.431 320 HH TYR 43 HH TYR 43 -7.178 4.650 -3.327 321 H TYR 44 H TYR 44 0.658 3.261 0.282 322 HA TYR 44 HA TYR 44 3.044 2.505 -0.833 323 HB2 TYR 44 2HB TYR 44 2.625 4.264 0.972 324 HB3 TYR 44 3HB TYR 44 2.645 2.959 2.157 325 HD1 TYR 44 HD2 TYR 44 4.715 4.612 -0.497 326 HD2 TYR 44 HD1 TYR 44 4.769 2.169 3.016 327 HE1 TYR 44 HE2 TYR 44 7.166 4.788 -0.403 328 HE2 TYR 44 HE1 TYR 44 7.221 2.347 3.092 329 HH TYR 44 HH TYR 44 8.960 4.591 1.226 330 H HIS 45 H HIS 45 1.624 1.029 2.100 331 HA HIS 45 HA HIS 45 3.571 -1.014 2.357 332 HB2 HIS 45 2HB HIS 45 0.836 -0.708 3.646 333 HB3 HIS 45 3HB HIS 45 1.973 -1.982 4.087 334 HD1 HIS 45 HD1 HIS 45 3.567 -1.410 5.891 335 HD2 HIS 45 HD2 HIS 45 2.063 1.996 4.063 336 HE1 HIS 45 HE1 HIS 45 4.472 0.516 7.210 337 HE2 HIS 45 HE2 HIS 45 3.674 2.562 5.995 338 H LEU 46 H LEU 46 0.544 -0.995 0.651 339 HA LEU 46 HA LEU 46 0.299 -3.823 0.237 340 HB2 LEU 46 2HB LEU 46 -1.688 -2.423 0.139 341 HB3 LEU 46 3HB LEU 46 -0.994 -1.439 -1.139 342 HG LEU 46 HG LEU 46 -1.192 -3.301 -2.734 343 HD11 LEU 46 1HD1 LEU 46 -2.393 -4.954 -0.491 344 HD12 LEU 46 2HD1 LEU 46 -0.818 -5.219 -1.239 345 HD13 LEU 46 3HD1 LEU 46 -2.286 -5.420 -2.190 346 HD21 LEU 46 3HD2 LEU 46 -3.780 -2.799 -1.230 347 HD22 LEU 46 1HD2 LEU 46 -3.652 -3.445 -2.870 348 HD23 LEU 46 2HD2 LEU 46 -3.106 -1.807 -2.527 349 H GLY 47 H GLY 47 1.641 -1.067 -1.556 350 HA2 GLY 47 2HA GLY 47 2.391 -2.491 -3.916 351 HA3 GLY 47 3HA GLY 47 2.989 -0.922 -3.393 352 H LYS 48 H LYS 48 4.021 -1.634 -0.894 353 HA LYS 48 HA LYS 48 6.611 -2.551 -1.410 354 HB2 LYS 48 2HB LYS 48 5.081 -2.414 1.223 355 HB3 LYS 48 3HB LYS 48 6.801 -2.775 1.114 356 HG2 LYS 48 2HG LYS 48 5.481 -0.179 0.260 357 HG3 LYS 48 3HG LYS 48 6.369 -0.435 1.758 358 HD2 LYS 48 2HD LYS 48 7.560 -0.604 -1.043 359 HD3 LYS 48 3HD LYS 48 7.683 0.785 0.037 360 HE2 LYS 48 2HE LYS 48 9.757 -0.366 0.226 361 HE3 LYS 48 3HE LYS 48 8.866 -0.772 1.689 362 HZ1 LYS 48 3HZ LYS 48 10.055 -2.629 0.534 363 HZ2 LYS 48 1HZ LYS 48 8.903 -2.519 -0.697 364 HZ3 LYS 48 2HZ LYS 48 8.428 -2.909 0.875 365 H LEU 49 H LEU 49 3.734 -4.159 -0.212 366 HA LEU 49 HA LEU 49 4.905 -6.697 0.327 367 HB2 LEU 49 2HB LEU 49 2.887 -5.953 1.447 368 HB3 LEU 49 3HB LEU 49 2.031 -5.825 -0.080 369 HG LEU 49 HG LEU 49 1.911 -8.229 -0.319 370 HD11 LEU 49 1HD1 LEU 49 3.695 -8.475 2.128 371 HD12 LEU 49 2HD1 LEU 49 4.114 -8.908 0.470 372 HD13 LEU 49 3HD1 LEU 49 2.868 -9.812 1.322 373 HD21 LEU 49 3HD2 LEU 49 1.261 -7.435 2.541 374 HD22 LEU 49 1HD2 LEU 49 0.614 -8.841 1.691 375 HD23 LEU 49 2HD2 LEU 49 0.221 -7.219 1.130 376 H TYR 50 H TYR 50 3.139 -5.343 -2.465 377 HA TYR 50 HA TYR 50 3.115 -7.599 -4.126 378 HB2 TYR 50 2HB TYR 50 3.171 -4.628 -4.755 379 HB3 TYR 50 3HB TYR 50 3.199 -5.817 -6.050 380 HD1 TYR 50 HD2 TYR 50 1.292 -7.869 -4.937 381 HD2 TYR 50 HD1 TYR 50 1.027 -3.602 -5.064 382 HE1 TYR 50 HE2 TYR 50 -1.161 -8.013 -4.949 383 HE2 TYR 50 HE1 TYR 50 -1.425 -3.764 -5.084 384 HH TYR 50 HH TYR 50 -3.085 -6.632 -4.379 385 H GLU 51 H GLU 51 5.655 -5.162 -3.625 386 HA GLU 51 HA GLU 51 7.517 -6.004 -5.545 387 HB2 GLU 51 2HB GLU 51 8.036 -4.742 -2.818 388 HB3 GLU 51 3HB GLU 51 9.225 -4.862 -4.116 389 HG2 GLU 51 2HG GLU 51 7.874 -3.416 -5.537 390 HG3 GLU 51 3HG GLU 51 6.608 -3.353 -4.315 391 H ARG 52 H ARG 52 6.914 -7.156 -2.243 392 HA ARG 52 HA ARG 52 9.120 -8.929 -1.960 393 HB2 ARG 52 2HB ARG 52 6.380 -9.249 -0.649 394 HB3 ARG 52 3HB ARG 52 7.910 -9.915 -0.077 395 HG2 ARG 52 2HG ARG 52 8.718 -7.630 0.419 396 HG3 ARG 52 3HG ARG 52 7.199 -6.966 -0.184 397 HD2 ARG 52 2HD ARG 52 6.014 -8.328 1.600 398 HD3 ARG 52 3HD ARG 52 7.605 -8.699 2.271 399 HE ARG 52 HE ARG 52 7.267 -5.894 1.993 400 HH11 ARG 52 1HH1 ARG 52 6.200 -8.559 4.016 401 HH12 ARG 52 2HH1 ARG 52 5.949 -7.556 5.407 402 HH21 ARG 52 1HH2 ARG 52 6.893 -4.596 3.822 403 HH22 ARG 52 2HH2 ARG 52 6.319 -5.317 5.291 404 H LEU 53 H LEU 53 5.901 -9.263 -3.330 405 HA LEU 53 HA LEU 53 6.060 -12.141 -3.745 406 HB2 LEU 53 2HB LEU 53 3.941 -10.157 -4.648 407 HB3 LEU 53 3HB LEU 53 3.767 -11.905 -4.576 408 HG LEU 53 HG LEU 53 4.121 -10.092 -2.153 409 HD11 LEU 53 1HD1 LEU 53 1.959 -9.681 -3.212 410 HD12 LEU 53 2HD1 LEU 53 1.754 -10.504 -1.669 411 HD13 LEU 53 3HD1 LEU 53 1.589 -11.409 -3.176 412 HD21 LEU 53 3HD2 LEU 53 3.482 -13.062 -2.265 413 HD22 LEU 53 1HD2 LEU 53 3.525 -12.068 -0.804 414 HD23 LEU 53 2HD2 LEU 53 5.000 -12.343 -1.725 415 H ASP 54 H ASP 54 7.763 -9.971 -5.345 416 HA ASP 54 HA ASP 54 8.521 -9.485 -7.412 417 HB2 ASP 54 2HB ASP 54 7.575 -12.322 -7.877 418 HB3 ASP 54 3HB ASP 54 8.222 -11.392 -9.223 419 H ARG 55 H ARG 55 5.549 -9.084 -6.740 420 HA ARG 55 HA ARG 55 4.341 -8.760 -9.383 421 HB2 ARG 55 2HB ARG 55 3.204 -8.116 -6.623 422 HB3 ARG 55 3HB ARG 55 2.310 -8.043 -8.138 423 HG2 ARG 55 2HG ARG 55 3.420 -10.527 -6.791 424 HG3 ARG 55 3HG ARG 55 1.721 -10.068 -6.949 425 HD2 ARG 55 2HD ARG 55 3.609 -10.859 -9.195 426 HD3 ARG 55 3HD ARG 55 2.262 -11.811 -8.569 427 HE ARG 55 HE ARG 55 1.150 -9.426 -9.408 428 HH11 ARG 55 1HH1 ARG 55 3.002 -11.961 -10.995 429 HH12 ARG 55 2HH1 ARG 55 2.237 -11.701 -12.530 430 HH21 ARG 55 1HH2 ARG 55 0.210 -9.086 -11.412 431 HH22 ARG 55 2HH2 ARG 55 0.645 -10.083 -12.765 432 H THR 56 H THR 56 6.408 -7.334 -9.599 433 HA THR 56 HA THR 56 6.621 -4.815 -8.347 434 HB THR 56 HB THR 56 7.783 -5.731 -11.019 435 HG1 THR 56 HG1 THR 56 9.091 -6.895 -9.857 436 HG21 THR 56 3HG2 THR 56 8.706 -3.491 -9.166 437 HG22 THR 56 1HG2 THR 56 7.958 -3.278 -10.753 438 HG23 THR 56 2HG2 THR 56 9.544 -4.035 -10.619 439 H ASP 57 H ASP 57 5.082 -5.879 -11.371 440 HA ASP 57 HA ASP 57 4.513 -3.331 -12.489 441 HB2 ASP 57 2HB ASP 57 3.010 -5.966 -12.859 442 HB3 ASP 57 3HB ASP 57 2.873 -4.556 -13.908 443 H ASP 58 H ASP 58 2.679 -5.509 -10.380 444 HA ASP 58 HA ASP 58 0.313 -4.010 -10.075 445 HB2 ASP 58 2HB ASP 58 1.641 -5.980 -8.158 446 HB3 ASP 58 3HB ASP 58 0.010 -5.343 -7.942 447 H ALA 59 H ALA 59 3.377 -4.011 -8.289 448 HA ALA 59 HA ALA 59 2.738 -2.293 -6.170 449 HB1 ALA 59 3HB ALA 59 5.441 -2.649 -7.516 450 HB2 ALA 59 1HB ALA 59 4.794 -3.657 -6.221 451 HB3 ALA 59 2HB ALA 59 5.163 -1.959 -5.913 452 H ILE 60 H ILE 60 4.158 -1.571 -9.361 453 HA ILE 60 HA ILE 60 4.515 1.199 -9.131 454 HB ILE 60 HB ILE 60 3.857 -0.350 -11.687 455 HG12 ILE 60 2HG1 ILE 60 5.811 -1.362 -10.611 456 HG13 ILE 60 3HG1 ILE 60 6.341 -0.478 -12.031 457 HG21 ILE 60 1HG2 ILE 60 5.227 2.351 -11.369 458 HG22 ILE 60 2HG2 ILE 60 3.623 2.060 -12.043 459 HG23 ILE 60 3HG2 ILE 60 5.052 1.468 -12.889 460 HD11 ILE 60 3HD1 ILE 60 6.578 0.435 -9.169 461 HD12 ILE 60 1HD1 ILE 60 7.106 1.341 -10.589 462 HD13 ILE 60 2HD1 ILE 60 7.871 -0.194 -10.190 463 H ASP 61 H ASP 61 1.727 -0.691 -10.202 464 HA ASP 61 HA ASP 61 0.035 1.446 -11.020 465 HB2 ASP 61 2HB ASP 61 -0.284 -0.881 -11.806 466 HB3 ASP 61 3HB ASP 61 -0.646 -1.408 -10.168 467 H THR 62 H THR 62 0.445 -0.289 -7.956 468 HA THR 62 HA THR 62 -1.764 0.846 -6.550 469 HB THR 62 HB THR 62 0.772 -0.311 -5.290 470 HG1 THR 62 HG1 THR 62 0.171 -2.054 -6.313 471 HG21 THR 62 3HG2 THR 62 -0.732 -0.969 -3.449 472 HG22 THR 62 1HG2 THR 62 -2.106 -0.250 -4.289 473 HG23 THR 62 2HG2 THR 62 -0.800 0.778 -3.692 474 H TYR 63 H TYR 63 1.659 1.667 -6.790 475 HA TYR 63 HA TYR 63 1.670 3.842 -4.958 476 HB2 TYR 63 2HB TYR 63 3.552 3.226 -7.271 477 HB3 TYR 63 3HB TYR 63 3.831 4.495 -6.078 478 HD1 TYR 63 HD1 TYR 63 3.062 3.102 -3.540 479 HD2 TYR 63 HD2 TYR 63 5.317 1.685 -6.877 480 HE1 TYR 63 HE1 TYR 63 4.247 1.529 -2.080 481 HE2 TYR 63 HE2 TYR 63 6.494 0.110 -5.412 482 HH TYR 63 HH TYR 63 7.015 -0.202 -3.123 483 H ALA 64 H ALA 64 1.210 3.606 -8.489 484 HA ALA 64 HA ALA 64 0.947 6.308 -9.146 485 HB1 ALA 64 3HB ALA 64 1.142 4.509 -10.825 486 HB2 ALA 64 1HB ALA 64 -0.264 5.529 -11.149 487 HB3 ALA 64 2HB ALA 64 -0.474 3.940 -10.408 488 H GLN 65 H GLN 65 -1.506 3.976 -8.074 489 HA GLN 65 HA GLN 65 -3.785 5.640 -8.014 490 HB2 GLN 65 2HB GLN 65 -3.033 3.152 -6.432 491 HB3 GLN 65 3HB GLN 65 -4.594 3.936 -6.239 492 HG2 GLN 65 2HG GLN 65 -3.741 3.147 -9.002 493 HG3 GLN 65 3HG GLN 65 -4.259 1.885 -7.891 494 HE21 GLN 65 1HE2 GLN 65 -5.675 5.146 -7.911 495 HE22 GLN 65 2HE2 GLN 65 -7.222 4.644 -8.465 496 H GLY 66 H GLY 66 -1.382 4.833 -5.569 497 HA2 GLY 66 2HA GLY 66 -2.330 6.257 -3.373 498 HA3 GLY 66 3HA GLY 66 -0.654 5.821 -3.666 499 H ILE 67 H ILE 67 -0.197 7.316 -5.995 500 HA ILE 67 HA ILE 67 0.673 9.773 -5.020 501 HB ILE 67 HB ILE 67 0.298 8.674 -7.825 502 HG12 ILE 67 2HG1 ILE 67 2.858 9.362 -6.306 503 HG13 ILE 67 3HG1 ILE 67 2.127 7.763 -6.328 504 HG21 ILE 67 1HG2 ILE 67 1.525 11.391 -7.229 505 HG22 ILE 67 2HG2 ILE 67 0.022 11.103 -8.103 506 HG23 ILE 67 3HG2 ILE 67 1.555 10.572 -8.792 507 HD11 ILE 67 3HD1 ILE 67 3.999 7.942 -7.854 508 HD12 ILE 67 1HD1 ILE 67 3.190 9.241 -8.727 509 HD13 ILE 67 2HD1 ILE 67 2.502 7.613 -8.724 510 H GLU 68 H GLU 68 -2.222 8.950 -6.881 511 HA GLU 68 HA GLU 68 -3.205 11.522 -7.466 512 HB2 GLU 68 2HB GLU 68 -4.837 8.995 -6.938 513 HB3 GLU 68 3HB GLU 68 -5.364 10.411 -7.849 514 HG2 GLU 68 2HG GLU 68 -3.636 9.943 -9.557 515 HG3 GLU 68 3HG GLU 68 -3.135 8.522 -8.642 516 H VAL 69 H VAL 69 -3.829 9.347 -4.762 517 HA VAL 69 HA VAL 69 -5.600 11.240 -3.421 518 HB VAL 69 HB VAL 69 -5.984 9.466 -1.749 519 HG11 VAL 69 1HG1 VAL 69 -6.255 8.482 -4.629 520 HG12 VAL 69 2HG1 VAL 69 -7.384 9.546 -3.784 521 HG13 VAL 69 3HG1 VAL 69 -7.172 7.885 -3.242 522 HG21 VAL 69 3HG2 VAL 69 -4.035 7.781 -3.381 523 HG22 VAL 69 1HG2 VAL 69 -5.046 7.185 -2.060 524 HG23 VAL 69 2HG2 VAL 69 -3.774 8.365 -1.735 525 H ALA 70 H ALA 70 -2.234 10.494 -3.340 526 HA ALA 70 HA ALA 70 -1.722 11.217 -0.593 527 HB1 ALA 70 3HB ALA 70 0.195 10.992 -2.928 528 HB2 ALA 70 1HB ALA 70 -0.213 9.708 -1.788 529 HB3 ALA 70 2HB ALA 70 0.650 11.141 -1.227 530 H ARG 71 H ARG 71 -1.316 12.787 -3.748 531 HA ARG 71 HA ARG 71 -0.310 15.258 -2.809 532 HB2 ARG 71 2HB ARG 71 -0.749 16.099 -5.076 533 HB3 ARG 71 3HB ARG 71 -0.021 14.500 -5.143 534 HG2 ARG 71 2HG ARG 71 -2.247 13.510 -5.578 535 HG3 ARG 71 3HG ARG 71 -2.961 15.120 -5.521 536 HD2 ARG 71 2HD ARG 71 -1.474 15.750 -7.459 537 HD3 ARG 71 3HD ARG 71 -1.006 14.047 -7.570 538 HE ARG 71 HE ARG 71 -3.726 13.964 -7.619 539 HH11 ARG 71 1HH1 ARG 71 -1.377 15.722 -9.560 540 HH12 ARG 71 2HH1 ARG 71 -2.383 15.746 -10.969 541 HH21 ARG 71 1HH2 ARG 71 -5.017 13.983 -9.484 542 HH22 ARG 71 2HH2 ARG 71 -4.438 14.756 -10.930 543 H GLU 72 H GLU 72 -3.603 14.091 -3.368 544 HA GLU 72 HA GLU 72 -4.759 16.731 -2.858 545 HB2 GLU 72 2HB GLU 72 -5.968 14.096 -3.773 546 HB3 GLU 72 3HB GLU 72 -6.911 15.560 -3.498 547 HG2 GLU 72 2HG GLU 72 -5.719 16.751 -5.243 548 HG3 GLU 72 3HG GLU 72 -4.572 15.431 -5.430 549 H GLU 73 H GLU 73 -5.162 13.419 -1.482 550 HA GLU 73 HA GLU 73 -6.774 14.463 0.724 551 HB2 GLU 73 2HB GLU 73 -5.987 11.553 0.306 552 HB3 GLU 73 3HB GLU 73 -7.338 12.182 1.245 553 HG2 GLU 73 2HG GLU 73 -7.046 12.114 -1.773 554 HG3 GLU 73 3HG GLU 73 -8.186 11.206 -0.786 555 H GLY 74 H GLY 74 -3.603 12.867 0.302 556 HA2 GLY 74 2HA GLY 74 -3.001 12.946 3.178 557 HA3 GLY 74 3HA GLY 74 -2.011 12.233 1.913 558 H THR 75 H THR 75 -0.252 13.416 3.138 559 HA THR 75 HA THR 75 -0.067 16.281 2.375 560 HB THR 75 HB THR 75 1.860 16.429 3.946 561 HG1 THR 75 HG1 THR 75 1.383 13.672 4.160 562 HG21 THR 75 3HG2 THR 75 0.614 16.213 6.064 563 HG22 THR 75 1HG2 THR 75 -0.626 15.254 5.250 564 HG23 THR 75 2HG2 THR 75 -0.394 16.950 4.818 565 H GLN 76 H GLN 76 2.294 16.961 1.902 566 HA GLN 76 HA GLN 76 3.156 15.912 -0.541 567 HB2 GLN 76 2HB GLN 76 3.653 18.197 0.050 568 HB3 GLN 76 3HB GLN 76 4.549 17.708 1.480 569 HG2 GLN 76 2HG GLN 76 6.111 18.468 -0.173 570 HG3 GLN 76 3HG GLN 76 6.303 16.729 -0.006 571 HE21 GLN 76 1HE2 GLN 76 7.135 18.429 -2.195 572 HE22 GLN 76 2HE2 GLN 76 6.352 17.842 -3.617 573 H LYS 77 H LYS 77 4.136 15.062 2.743 574 HA LYS 77 HA LYS 77 6.470 13.599 2.263 575 HB2 LYS 77 2HB LYS 77 5.723 14.084 4.548 576 HB3 LYS 77 3HB LYS 77 4.284 13.093 4.326 577 HG2 LYS 77 2HG LYS 77 5.688 11.071 4.129 578 HG3 LYS 77 3HG LYS 77 7.142 12.051 4.319 579 HD2 LYS 77 2HD LYS 77 4.968 11.898 6.447 580 HD3 LYS 77 3HD LYS 77 6.320 10.769 6.390 581 HE2 LYS 77 2HE LYS 77 6.853 12.494 7.989 582 HE3 LYS 77 3HE LYS 77 7.889 12.717 6.585 583 HZ1 LYS 77 3HZ LYS 77 5.422 14.266 7.136 584 HZ2 LYS 77 1HZ LYS 77 6.502 14.518 5.862 585 HZ3 LYS 77 2HZ LYS 77 6.992 14.794 7.451 586 H ASP 78 H ASP 78 3.082 12.540 2.254 587 HA ASP 78 HA ASP 78 3.492 9.779 1.757 588 HB2 ASP 78 2HB ASP 78 1.045 11.509 1.159 589 HB3 ASP 78 3HB ASP 78 1.064 9.747 1.120 590 H LEU 79 H LEU 79 2.782 12.539 -0.354 591 HA LEU 79 HA LEU 79 2.561 11.231 -2.812 592 HB2 LEU 79 2HB LEU 79 1.928 13.597 -2.444 593 HB3 LEU 79 3HB LEU 79 3.620 14.034 -2.244 594 HG LEU 79 HG LEU 79 4.053 13.407 -4.623 595 HD11 LEU 79 1HD1 LEU 79 2.335 11.699 -4.926 596 HD12 LEU 79 2HD1 LEU 79 2.180 12.952 -6.154 597 HD13 LEU 79 3HD1 LEU 79 1.063 12.918 -4.787 598 HD21 LEU 79 3HD2 LEU 79 1.807 15.421 -4.278 599 HD22 LEU 79 1HD2 LEU 79 2.884 15.304 -5.673 600 HD23 LEU 79 2HD2 LEU 79 3.533 15.742 -4.097 601 H SER 80 H SER 80 5.408 12.651 -1.249 602 HA SER 80 HA SER 80 7.297 12.171 -3.274 603 HB2 SER 80 2HB SER 80 7.609 13.806 -1.407 604 HB3 SER 80 3HB SER 80 7.798 12.467 -0.276 605 HG SER 80 HG SER 80 9.802 12.346 -0.869 606 H GLU 81 H GLU 81 6.270 10.239 -0.485 607 HA GLU 81 HA GLU 81 8.237 8.219 -0.584 608 HB2 GLU 81 2HB GLU 81 5.402 8.163 0.531 609 HB3 GLU 81 3HB GLU 81 6.578 6.877 0.791 610 HG2 GLU 81 2HG GLU 81 7.063 9.744 1.635 611 HG3 GLU 81 3HG GLU 81 6.265 8.566 2.671 612 H LEU 82 H LEU 82 4.972 8.358 -1.963 613 HA LEU 82 HA LEU 82 4.962 5.712 -3.030 614 HB2 LEU 82 2HB LEU 82 3.217 8.150 -3.487 615 HB3 LEU 82 3HB LEU 82 2.876 6.595 -4.236 616 HG LEU 82 HG LEU 82 3.192 6.756 -1.217 617 HD11 LEU 82 1HD1 LEU 82 0.607 7.335 -2.663 618 HD12 LEU 82 2HD1 LEU 82 1.547 8.480 -1.709 619 HD13 LEU 82 3HD1 LEU 82 0.795 7.092 -0.926 620 HD21 LEU 82 3HD2 LEU 82 1.558 4.919 -2.997 621 HD22 LEU 82 1HD2 LEU 82 1.710 4.811 -1.241 622 HD23 LEU 82 2HD2 LEU 82 3.117 4.537 -2.261 623 H GLN 83 H GLN 83 5.702 8.885 -4.426 624 HA GLN 83 HA GLN 83 6.118 8.077 -7.122 625 HB2 GLN 83 2HB GLN 83 7.231 10.427 -5.532 626 HB3 GLN 83 3HB GLN 83 7.493 10.218 -7.260 627 HG2 GLN 83 2HG GLN 83 5.106 10.415 -7.691 628 HG3 GLN 83 3HG GLN 83 4.769 10.487 -5.964 629 HE21 GLN 83 1HE2 GLN 83 6.975 12.274 -5.328 630 HE22 GLN 83 2HE2 GLN 83 6.551 13.824 -5.951 631 H ASP 84 H ASP 84 8.263 8.327 -4.312 632 HA ASP 84 HA ASP 84 10.697 7.784 -5.707 633 HB2 ASP 84 2HB ASP 84 10.615 9.042 -3.564 634 HB3 ASP 84 3HB ASP 84 10.083 7.588 -2.729 635 H ALA 85 H ALA 85 8.362 5.830 -3.948 636 HA ALA 85 HA ALA 85 9.873 3.456 -3.736 637 HB1 ALA 85 3HB ALA 85 6.860 3.789 -3.665 638 HB2 ALA 85 1HB ALA 85 7.944 3.947 -2.283 639 HB3 ALA 85 2HB ALA 85 7.767 2.386 -3.091 640 H LYS 86 H LYS 86 7.424 4.524 -6.135 641 HA LYS 86 HA LYS 86 7.524 2.110 -7.634 642 HB2 LYS 86 2HB LYS 86 6.301 3.280 -9.405 643 HB3 LYS 86 3HB LYS 86 5.583 3.550 -7.824 644 HG2 LYS 86 2HG LYS 86 6.543 5.793 -7.724 645 HG3 LYS 86 3HG LYS 86 7.358 5.539 -9.270 646 HD2 LYS 86 2HD LYS 86 4.348 5.603 -8.819 647 HD3 LYS 86 3HD LYS 86 5.320 6.892 -9.536 648 HE2 LYS 86 2HE LYS 86 5.962 5.283 -11.369 649 HE3 LYS 86 3HE LYS 86 4.807 4.131 -10.692 650 HZ1 LYS 86 3HZ LYS 86 3.815 5.340 -12.475 651 HZ2 LYS 86 1HZ LYS 86 4.200 6.825 -11.768 652 HZ3 LYS 86 2HZ LYS 86 3.069 5.805 -11.036 653 H LEU 87 H LEU 87 9.413 5.161 -7.950 654 HA LEU 87 HA LEU 87 10.487 4.437 -10.503 655 HB2 LEU 87 2HB LEU 87 12.024 6.319 -10.295 656 HB3 LEU 87 3HB LEU 87 10.384 6.767 -9.887 657 HG LEU 87 HG LEU 87 11.166 6.562 -7.399 658 HD11 LEU 87 1HD1 LEU 87 13.335 5.494 -7.703 659 HD12 LEU 87 2HD1 LEU 87 13.542 7.088 -6.981 660 HD13 LEU 87 3HD1 LEU 87 13.888 6.844 -8.696 661 HD21 LEU 87 3HD2 LEU 87 11.959 8.889 -7.386 662 HD22 LEU 87 1HD2 LEU 87 10.558 8.680 -8.436 663 HD23 LEU 87 2HD2 LEU 87 12.172 8.829 -9.138 664 H LYS 88 H LYS 88 11.641 3.886 -7.166 665 HA LYS 88 HA LYS 88 14.073 2.645 -8.049 666 HB2 LYS 88 2HB LYS 88 14.414 1.946 -5.710 667 HB3 LYS 88 3HB LYS 88 14.048 3.651 -5.861 668 HG2 LYS 88 2HG LYS 88 12.889 3.047 -3.950 669 HG3 LYS 88 3HG LYS 88 11.632 3.004 -5.186 670 HD2 LYS 88 2HD LYS 88 11.813 0.556 -5.306 671 HD3 LYS 88 3HD LYS 88 13.129 0.575 -4.128 672 HE2 LYS 88 2HE LYS 88 11.603 1.446 -2.417 673 HE3 LYS 88 3HE LYS 88 10.294 1.527 -3.595 674 HZ1 LYS 88 3HZ LYS 88 10.066 -0.417 -2.267 675 HZ2 LYS 88 1HZ LYS 88 11.637 -0.924 -2.624 676 HZ3 LYS 88 2HZ LYS 88 10.459 -0.885 -3.838 677 H ALA 89 H ALA 89 10.818 1.412 -7.311 678 HA ALA 89 HA ALA 89 11.349 -1.328 -7.366 679 HB1 ALA 89 3HB ALA 89 8.948 -1.603 -7.830 680 HB2 ALA 89 1HB ALA 89 8.829 0.112 -8.241 681 HB3 ALA 89 2HB ALA 89 9.222 -0.375 -6.594 682 H GLU 90 H GLU 90 10.934 0.938 -10.045 683 HA GLU 90 HA GLU 90 10.866 -0.727 -12.255 684 HB2 GLU 90 2HB GLU 90 12.381 1.884 -11.863 685 HB3 GLU 90 3HB GLU 90 12.161 1.126 -13.437 686 HG2 GLU 90 2HG GLU 90 9.870 2.015 -11.648 687 HG3 GLU 90 3HG GLU 90 10.565 3.007 -12.930 688 H GLY 91 H GLY 91 13.514 -0.303 -10.025 689 HA2 GLY 91 2HA GLY 91 15.536 -1.545 -11.708 690 HA3 GLY 91 3HA GLY 91 15.731 -0.986 -10.059 691 H LEU 92 H LEU 92 13.080 -2.779 -9.649 692 HA LEU 92 HA LEU 92 14.388 -5.025 -8.477 693 HB2 LEU 92 2HB LEU 92 11.466 -4.525 -9.161 694 HB3 LEU 92 3HB LEU 92 12.006 -5.976 -8.328 695 HG LEU 92 HG LEU 92 12.352 -3.149 -7.252 696 HD11 LEU 92 1HD1 LEU 92 9.984 -3.750 -7.328 697 HD12 LEU 92 2HD1 LEU 92 10.558 -3.717 -5.661 698 HD13 LEU 92 3HD1 LEU 92 10.318 -5.264 -6.480 699 HD21 LEU 92 3HD2 LEU 92 12.960 -4.274 -5.134 700 HD22 LEU 92 1HD2 LEU 92 14.084 -4.690 -6.426 701 HD23 LEU 92 2HD2 LEU 92 12.846 -5.845 -5.927 702 H GLU 93 H GLU 93 12.322 -4.714 -11.323 703 HA GLU 93 HA GLU 93 13.942 -6.592 -12.811 704 HB2 GLU 93 2HB GLU 93 12.082 -7.999 -13.524 705 HB3 GLU 93 3HB GLU 93 12.157 -8.020 -11.774 706 HG2 GLU 93 2HG GLU 93 9.939 -7.642 -11.818 707 HG3 GLU 93 3HG GLU 93 10.341 -5.983 -12.223 708 H HIS 94 H HIS 94 13.998 -6.067 -14.918 709 HA HIS 94 HA HIS 94 12.383 -4.848 -16.688 710 HB2 HIS 94 2HB HIS 94 13.572 -2.745 -14.883 711 HB3 HIS 94 3HB HIS 94 13.695 -2.406 -16.602 712 HD1 HIS 94 HD1 HIS 94 10.574 -4.133 -15.433 713 HD2 HIS 94 HD2 HIS 94 11.886 -0.261 -16.177 714 HE1 HIS 94 HE1 HIS 94 8.501 -2.726 -15.554 715 HE2 HIS 94 HE2 HIS 94 9.359 -0.366 -15.704 716 H HIS 95 H HIS 95 13.972 -3.401 -18.327 717 HA HIS 95 HA HIS 95 16.084 -5.276 -19.028 718 HB2 HIS 95 2HB HIS 95 15.306 -2.679 -20.420 719 HB3 HIS 95 3HB HIS 95 16.327 -3.955 -21.083 720 HD1 HIS 95 HD1 HIS 95 12.984 -2.756 -21.254 721 HD2 HIS 95 HD2 HIS 95 14.699 -6.542 -21.184 722 HE1 HIS 95 HE1 HIS 95 11.246 -4.301 -22.193 723 HE2 HIS 95 HE2 HIS 95 12.272 -6.593 -22.078 724 H HIS 96 H HIS 96 17.278 -4.868 -17.033 725 HA HIS 96 HA HIS 96 18.578 -2.322 -16.559 726 HB2 HIS 96 2HB HIS 96 19.805 -3.614 -14.730 727 HB3 HIS 96 3HB HIS 96 18.054 -3.598 -14.598 728 HD1 HIS 96 HD1 HIS 96 16.815 -5.830 -14.827 729 HD2 HIS 96 HD2 HIS 96 20.929 -6.197 -15.306 730 HE1 HIS 96 HE1 HIS 96 17.294 -8.292 -14.731 731 HE2 HIS 96 HE2 HIS 96 19.753 -8.492 -15.162 732 H HIS 97 H HIS 97 19.263 -5.050 -18.491 733 HA HIS 97 HA HIS 97 22.093 -4.281 -18.888 734 HB2 HIS 97 2HB HIS 97 21.621 -6.666 -18.272 735 HB3 HIS 97 3HB HIS 97 20.604 -6.829 -19.694 736 HD1 HIS 97 HD1 HIS 97 21.803 -8.242 -21.314 737 HD2 HIS 97 HD2 HIS 97 24.405 -5.622 -19.414 738 HE1 HIS 97 HE1 HIS 97 24.036 -8.623 -22.382 739 HE2 HIS 97 HE2 HIS 97 25.524 -6.870 -21.379 740 H HIS 98 H HIS 98 20.027 -2.596 -19.822 741 HA HIS 98 HA HIS 98 19.381 -3.025 -22.570 742 HB2 HIS 98 2HB HIS 98 18.537 -0.689 -22.522 743 HB3 HIS 98 3HB HIS 98 17.950 -1.633 -21.164 744 HD1 HIS 98 HD1 HIS 98 18.127 -0.495 -18.955 745 HD2 HIS 98 HD2 HIS 98 20.771 1.122 -21.715 746 HE1 HIS 98 HE1 HIS 98 19.180 1.465 -17.806 747 HE2 HIS 98 HE2 HIS 98 20.591 2.551 -19.579 748 H HIS 99 H HIS 99 19.904 -0.722 -23.958 749 HA HIS 99 HA HIS 99 22.428 -1.080 -25.067 750 HB2 HIS 99 2HB HIS 99 20.576 0.067 -26.235 751 HB3 HIS 99 3HB HIS 99 20.695 1.429 -25.131 752 HD1 HIS 99 HD1 HIS 99 22.845 2.964 -25.376 753 HD2 HIS 99 HD2 HIS 99 22.362 0.123 -28.368 754 HE1 HIS 99 HE1 HIS 99 24.376 3.677 -27.231 755 HE2 HIS 99 HE2 HIS 99 23.955 2.031 -29.082
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