NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
594983 | 2mxb | 25396 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -27.865 22.398 -11.342 2 H2 MET 1 2HT MET 1 -27.369 21.257 -12.499 3 H3 MET 1 3HT MET 1 -26.218 22.232 -11.717 4 HA MET 1 HA MET 1 -27.150 19.716 -10.953 5 HB2 MET 1 2HB MET 1 -25.394 21.748 -9.539 6 HB3 MET 1 1HB MET 1 -25.469 20.025 -9.166 7 HG2 MET 1 2HG MET 1 -24.870 19.626 -11.630 8 HG3 MET 1 1HG MET 1 -24.456 21.340 -11.690 9 HE1 MET 1 2HE MET 1 -24.130 18.079 -9.872 10 HE2 MET 1 3HE MET 1 -22.416 17.917 -9.498 11 HE3 MET 1 1HE MET 1 -22.965 17.888 -11.180 12 H SER 2 H SER 2 -27.031 19.762 -8.178 13 HA SER 2 HA SER 2 -29.450 21.285 -7.412 14 HB2 SER 2 2HB SER 2 -29.149 18.464 -7.570 15 HB3 SER 2 1HB SER 2 -29.224 18.892 -5.863 16 HG SER 2 HG SER 2 -31.087 20.219 -6.497 17 H GLU 3 H GLU 3 -26.218 20.609 -6.823 18 HA GLU 3 HA GLU 3 -26.409 21.342 -3.980 19 HB2 GLU 3 2HB GLU 3 -23.722 20.829 -4.656 20 HB3 GLU 3 1HB GLU 3 -24.811 19.791 -3.734 21 HG2 GLU 3 2HG GLU 3 -25.598 18.735 -5.794 22 HG3 GLU 3 1HG GLU 3 -24.596 19.821 -6.756 23 HA PRO 4 HA PRO 4 -24.785 25.373 -4.666 24 HB2 PRO 4 2HB PRO 4 -23.033 25.685 -2.579 25 HB3 PRO 4 1HB PRO 4 -24.796 25.734 -2.396 26 HG2 PRO 4 2HG PRO 4 -22.890 23.538 -1.793 27 HG3 PRO 4 1HG PRO 4 -24.360 24.029 -0.939 28 HD2 PRO 4 2HD PRO 4 -24.241 21.865 -2.629 29 HD3 PRO 4 1HD PRO 4 -25.728 22.778 -2.298 30 H ALA 5 H ALA 5 -23.218 26.329 -5.884 31 HA ALA 5 HA ALA 5 -21.167 24.833 -7.074 32 HB1 ALA 5 1HB ALA 5 -20.695 27.734 -6.958 33 HB2 ALA 5 2HB ALA 5 -22.299 27.282 -7.538 34 HB3 ALA 5 3HB ALA 5 -20.862 26.673 -8.357 35 H SER 6 H SER 6 -21.339 25.961 -3.966 36 HA SER 6 HA SER 6 -18.607 26.741 -3.558 37 HB2 SER 6 2HB SER 6 -20.981 26.838 -2.063 38 HB3 SER 6 1HB SER 6 -19.900 25.781 -1.160 39 HG SER 6 HG SER 6 -18.565 27.902 -2.153 40 H LEU 7 H LEU 7 -20.441 23.749 -3.279 41 HA LEU 7 HA LEU 7 -18.571 22.211 -1.865 42 HB2 LEU 7 2HB LEU 7 -21.052 21.744 -2.831 43 HB3 LEU 7 1HB LEU 7 -20.101 20.864 -4.025 44 HG LEU 7 HG LEU 7 -19.886 20.511 -1.018 45 HD11 LEU 7 1HD1 LEU 7 -20.708 18.121 -2.168 46 HD12 LEU 7 2HD1 LEU 7 -21.642 19.336 -3.041 47 HD13 LEU 7 3HD1 LEU 7 -21.736 19.246 -1.282 48 HD21 LEU 7 3HD2 LEU 7 -17.785 19.909 -1.880 49 HD22 LEU 7 1HD2 LEU 7 -18.469 19.314 -3.392 50 HD23 LEU 7 2HD2 LEU 7 -18.655 18.380 -1.908 51 H LEU 8 H LEU 8 -18.762 23.082 -5.266 52 HA LEU 8 HA LEU 8 -16.582 21.299 -5.975 53 HB2 LEU 8 2HB LEU 8 -18.033 23.402 -7.597 54 HB3 LEU 8 1HB LEU 8 -16.857 22.254 -8.234 55 HG LEU 8 HG LEU 8 -18.586 20.588 -6.889 56 HD11 LEU 8 1HD1 LEU 8 -20.372 22.512 -8.367 57 HD12 LEU 8 2HD1 LEU 8 -20.043 22.730 -6.647 58 HD13 LEU 8 3HD1 LEU 8 -20.817 21.253 -7.216 59 HD21 LEU 8 3HD2 LEU 8 -18.597 21.524 -9.771 60 HD22 LEU 8 1HD2 LEU 8 -19.488 20.113 -9.201 61 HD23 LEU 8 2HD2 LEU 8 -17.727 20.145 -9.102 62 H THR 9 H THR 9 -17.128 24.771 -5.652 63 HA THR 9 HA THR 9 -14.534 25.572 -6.450 64 HB THR 9 HB THR 9 -16.581 26.942 -4.701 65 HG1 THR 9 1HG THR 9 -16.096 26.696 -7.400 66 HG21 THR 9 3HG2 THR 9 -15.194 29.000 -5.419 67 HG22 THR 9 1HG2 THR 9 -13.911 27.842 -5.771 68 HG23 THR 9 2HG2 THR 9 -14.542 27.988 -4.131 69 H ALA 10 H ALA 10 -15.588 23.939 -3.714 70 HA ALA 10 HA ALA 10 -13.270 24.838 -2.121 71 HB1 ALA 10 1HB ALA 10 -15.846 23.484 -1.307 72 HB2 ALA 10 2HB ALA 10 -15.315 25.114 -0.895 73 HB3 ALA 10 3HB ALA 10 -14.481 23.717 -0.215 74 H SER 11 H SER 11 -13.760 22.668 -4.356 75 HA SER 11 HA SER 11 -13.168 20.171 -3.152 76 HB2 SER 11 2HB SER 11 -14.031 20.024 -5.327 77 HB3 SER 11 1HB SER 11 -12.930 21.253 -5.946 78 HG SER 11 HG SER 11 -11.895 19.491 -6.551 79 H ASP 12 H ASP 12 -11.351 22.891 -3.209 80 HA ASP 12 HA ASP 12 -8.779 21.466 -3.435 81 HB2 ASP 12 2HB ASP 12 -9.478 24.404 -3.504 82 HB3 ASP 12 1HB ASP 12 -7.821 23.806 -3.419 83 H LEU 13 H LEU 13 -10.725 21.444 -1.122 84 HA LEU 13 HA LEU 13 -9.863 22.939 1.049 85 HB2 LEU 13 2HB LEU 13 -10.699 21.051 2.447 86 HB3 LEU 13 1HB LEU 13 -11.835 21.540 1.192 87 HG LEU 13 HG LEU 13 -10.171 19.610 -0.012 88 HD11 LEU 13 1HD1 LEU 13 -9.514 19.028 2.358 89 HD12 LEU 13 2HD1 LEU 13 -10.266 17.707 1.465 90 HD13 LEU 13 3HD1 LEU 13 -11.203 18.613 2.654 91 HD21 LEU 13 3HD2 LEU 13 -12.954 19.318 1.160 92 HD22 LEU 13 1HD2 LEU 13 -12.252 18.310 -0.106 93 HD23 LEU 13 2HD2 LEU 13 -12.586 20.013 -0.418 94 H ASP 14 H ASP 14 -8.455 20.036 -0.363 95 HA ASP 14 HA ASP 14 -5.895 20.570 0.751 96 HB2 ASP 14 2HB ASP 14 -7.258 19.638 2.726 97 HB3 ASP 14 1HB ASP 14 -7.156 18.092 1.887 98 HA PRO 15 HA PRO 15 -6.030 17.724 -2.876 99 HB2 PRO 15 2HB PRO 15 -4.343 19.175 -4.466 100 HB3 PRO 15 1HB PRO 15 -6.092 19.452 -4.382 101 HG2 PRO 15 2HG PRO 15 -3.882 21.020 -3.232 102 HG3 PRO 15 1HG PRO 15 -5.492 21.535 -3.747 103 HD2 PRO 15 2HD PRO 15 -4.653 21.095 -1.097 104 HD3 PRO 15 1HD PRO 15 -6.332 21.302 -1.643 105 H LEU 16 H LEU 16 -3.354 19.261 -1.210 106 HA LEU 16 HA LEU 16 -1.249 17.666 -2.196 107 HB2 LEU 16 2HB LEU 16 -0.972 19.785 -0.897 108 HB3 LEU 16 1HB LEU 16 -1.473 18.915 0.549 109 HG LEU 16 HG LEU 16 0.512 17.294 -0.580 110 HD11 LEU 16 1HD1 LEU 16 2.376 18.706 -1.048 111 HD12 LEU 16 2HD1 LEU 16 1.518 20.145 -0.499 112 HD13 LEU 16 3HD1 LEU 16 1.040 19.350 -1.999 113 HD21 LEU 16 3HD2 LEU 16 0.172 17.645 1.805 114 HD22 LEU 16 1HD2 LEU 16 0.617 19.345 1.654 115 HD23 LEU 16 2HD2 LEU 16 1.830 18.090 1.401 116 H ILE 17 H ILE 17 -3.189 17.350 0.772 117 HA ILE 17 HA ILE 17 -2.005 14.885 1.556 118 HB ILE 17 HB ILE 17 -3.341 16.584 2.979 119 HG12 ILE 17 2HG1 ILE 17 -3.632 13.577 3.124 120 HG13 ILE 17 1HG1 ILE 17 -2.508 14.604 4.011 121 HG21 ILE 17 1HG2 ILE 17 -5.654 14.816 2.186 122 HG22 ILE 17 2HG2 ILE 17 -5.339 16.339 1.358 123 HG23 ILE 17 3HG2 ILE 17 -5.688 16.332 3.082 124 HD11 ILE 17 3HD1 ILE 17 -4.079 14.342 5.666 125 HD12 ILE 17 1HD1 ILE 17 -5.392 14.070 4.523 126 HD13 ILE 17 2HD1 ILE 17 -4.820 15.709 4.838 127 H LEU 18 H LEU 18 -4.848 15.748 -0.361 128 HA LEU 18 HA LEU 18 -6.005 13.175 -0.499 129 HB2 LEU 18 2HB LEU 18 -6.395 15.741 -1.715 130 HB3 LEU 18 1HB LEU 18 -6.452 14.498 -2.963 131 HG LEU 18 HG LEU 18 -8.022 14.393 -0.370 132 HD11 LEU 18 1HD1 LEU 18 -9.910 15.171 -1.536 133 HD12 LEU 18 2HD1 LEU 18 -9.192 14.836 -3.111 134 HD13 LEU 18 3HD1 LEU 18 -8.625 16.204 -2.155 135 HD21 LEU 18 3HD2 LEU 18 -7.338 12.425 -2.312 136 HD22 LEU 18 1HD2 LEU 18 -9.051 12.793 -2.521 137 HD23 LEU 18 2HD2 LEU 18 -8.450 12.260 -0.952 138 H THR 19 H THR 19 -3.576 14.774 -2.523 139 HA THR 19 HA THR 19 -3.351 12.792 -4.499 140 HB THR 19 HB THR 19 -1.286 14.723 -3.415 141 HG1 THR 19 1HG THR 19 -3.298 15.436 -4.504 142 HG21 THR 19 3HG2 THR 19 -0.223 14.288 -5.696 143 HG22 THR 19 1HG2 THR 19 -1.260 12.868 -5.800 144 HG23 THR 19 2HG2 THR 19 -0.064 12.992 -4.510 145 H LEU 20 H LEU 20 -1.461 13.282 -1.512 146 HA LEU 20 HA LEU 20 0.153 10.985 -1.794 147 HB2 LEU 20 2HB LEU 20 -0.682 12.629 0.588 148 HB3 LEU 20 1HB LEU 20 0.360 11.218 0.757 149 HG LEU 20 HG LEU 20 1.060 13.248 -1.328 150 HD11 LEU 20 1HD1 LEU 20 1.153 13.649 1.638 151 HD12 LEU 20 2HD1 LEU 20 0.860 14.826 0.358 152 HD13 LEU 20 3HD1 LEU 20 2.497 14.250 0.668 153 HD21 LEU 20 3HD2 LEU 20 3.347 12.556 -0.673 154 HD22 LEU 20 1HD2 LEU 20 2.361 11.160 -1.099 155 HD23 LEU 20 2HD2 LEU 20 2.673 11.535 0.594 156 H SER 21 H SER 21 -3.024 11.475 -0.355 157 HA SER 21 HA SER 21 -3.236 8.913 0.859 158 HB2 SER 21 2HB SER 21 -5.030 11.184 0.290 159 HB3 SER 21 1HB SER 21 -5.820 9.613 0.376 160 HG SER 21 HG SER 21 -4.924 11.137 2.363 161 H LEU 22 H LEU 22 -4.550 10.214 -2.193 162 HA LEU 22 HA LEU 22 -5.811 7.930 -3.134 163 HB2 LEU 22 2HB LEU 22 -4.948 10.446 -4.216 164 HB3 LEU 22 1HB LEU 22 -4.566 9.162 -5.363 165 HG LEU 22 HG LEU 22 -6.903 8.330 -5.170 166 HD11 LEU 22 1HD1 LEU 22 -8.103 10.682 -4.058 167 HD12 LEU 22 2HD1 LEU 22 -6.912 10.074 -2.913 168 HD13 LEU 22 3HD1 LEU 22 -8.210 9.021 -3.475 169 HD21 LEU 22 3HD2 LEU 22 -5.987 10.748 -6.407 170 HD22 LEU 22 1HD2 LEU 22 -7.654 10.989 -5.886 171 HD23 LEU 22 2HD2 LEU 22 -7.251 9.651 -6.961 172 H ILE 23 H ILE 23 -2.398 8.838 -3.340 173 HA ILE 23 HA ILE 23 -1.579 6.748 -5.039 174 HB ILE 23 HB ILE 23 -0.227 8.559 -3.090 175 HG12 ILE 23 2HG1 ILE 23 -0.764 8.898 -5.643 176 HG13 ILE 23 1HG1 ILE 23 0.795 9.414 -5.003 177 HG21 ILE 23 1HG2 ILE 23 0.961 6.603 -2.508 178 HG22 ILE 23 2HG2 ILE 23 1.952 7.348 -3.763 179 HG23 ILE 23 3HG2 ILE 23 0.918 5.977 -4.158 180 HD11 ILE 23 3HD1 ILE 23 0.730 7.976 -7.189 181 HD12 ILE 23 1HD1 ILE 23 0.475 6.625 -6.090 182 HD13 ILE 23 2HD1 ILE 23 1.933 7.601 -5.955 183 H LEU 24 H LEU 24 -1.257 6.995 -1.493 184 HA LEU 24 HA LEU 24 -0.387 4.372 -1.083 185 HB2 LEU 24 2HB LEU 24 -0.742 6.511 0.541 186 HB3 LEU 24 1HB LEU 24 -2.149 5.553 0.995 187 HG LEU 24 HG LEU 24 -0.271 4.970 2.442 188 HD11 LEU 24 1HD1 LEU 24 -0.481 2.673 0.509 189 HD12 LEU 24 2HD1 LEU 24 -1.902 3.213 1.405 190 HD13 LEU 24 3HD1 LEU 24 -0.478 2.645 2.272 191 HD21 LEU 24 3HD2 LEU 24 1.356 3.677 0.367 192 HD22 LEU 24 1HD2 LEU 24 1.859 4.713 1.702 193 HD23 LEU 24 2HD2 LEU 24 1.293 5.432 0.198 194 H VAL 25 H VAL 25 -3.618 5.690 -1.371 195 HA VAL 25 HA VAL 25 -5.038 3.402 -0.511 196 HB VAL 25 HB VAL 25 -5.776 5.664 -2.369 197 HG11 VAL 25 1HG1 VAL 25 -7.324 4.135 -3.115 198 HG12 VAL 25 2HG1 VAL 25 -8.158 4.656 -1.650 199 HG13 VAL 25 3HG1 VAL 25 -7.224 3.160 -1.649 200 HG21 VAL 25 3HG2 VAL 25 -5.385 5.904 0.204 201 HG22 VAL 25 1HG2 VAL 25 -6.915 5.038 0.350 202 HG23 VAL 25 2HG2 VAL 25 -6.855 6.586 -0.495 203 H LEU 26 H LEU 26 -4.243 4.524 -3.803 204 HA LEU 26 HA LEU 26 -5.280 2.271 -5.146 205 HB2 LEU 26 2HB LEU 26 -3.262 4.382 -5.865 206 HB3 LEU 26 1HB LEU 26 -3.595 3.040 -6.957 207 HG LEU 26 HG LEU 26 -5.923 4.523 -5.805 208 HD11 LEU 26 1HD1 LEU 26 -4.389 6.311 -6.559 209 HD12 LEU 26 2HD1 LEU 26 -5.794 6.190 -7.617 210 HD13 LEU 26 3HD1 LEU 26 -4.244 5.520 -8.129 211 HD21 LEU 26 3HD2 LEU 26 -5.581 3.689 -8.664 212 HD22 LEU 26 1HD2 LEU 26 -7.033 3.681 -7.663 213 HD23 LEU 26 2HD2 LEU 26 -5.807 2.432 -7.446 214 H ILE 27 H ILE 27 -2.046 2.993 -3.886 215 HA ILE 27 HA ILE 27 -0.783 0.678 -4.936 216 HB ILE 27 HB ILE 27 -0.126 2.582 -2.701 217 HG12 ILE 27 2HG1 ILE 27 0.127 2.942 -5.318 218 HG13 ILE 27 1HG1 ILE 27 1.381 3.497 -4.211 219 HG21 ILE 27 1HG2 ILE 27 1.233 -0.002 -3.451 220 HG22 ILE 27 2HG2 ILE 27 0.817 0.597 -1.844 221 HG23 ILE 27 3HG2 ILE 27 2.144 1.332 -2.742 222 HD11 ILE 27 3HD1 ILE 27 2.801 1.683 -4.720 223 HD12 ILE 27 1HD1 ILE 27 2.112 2.118 -6.283 224 HD13 ILE 27 2HD1 ILE 27 1.487 0.726 -5.404 225 H SER 28 H SER 28 -2.054 1.400 -1.685 226 HA SER 28 HA SER 28 -1.521 -1.049 -0.488 227 HB2 SER 28 2HB SER 28 -3.275 -0.477 1.107 228 HB3 SER 28 1HB SER 28 -2.336 0.959 0.715 229 HG SER 28 HG SER 28 -4.887 0.189 -0.251 230 H LEU 29 H LEU 29 -4.253 -0.059 -2.492 231 HA LEU 29 HA LEU 29 -5.825 -2.380 -2.141 232 HB2 LEU 29 2HB LEU 29 -5.968 0.016 -3.659 233 HB3 LEU 29 1HB LEU 29 -6.173 -1.328 -4.781 234 HG LEU 29 HG LEU 29 -7.894 -2.292 -3.248 235 HD11 LEU 29 1HD1 LEU 29 -6.865 -0.230 -1.517 236 HD12 LEU 29 2HD1 LEU 29 -8.010 -1.515 -1.139 237 HD13 LEU 29 3HD1 LEU 29 -8.592 0.025 -1.772 238 HD21 LEU 29 3HD2 LEU 29 -9.260 -1.208 -4.675 239 HD22 LEU 29 1HD2 LEU 29 -8.087 0.094 -4.871 240 HD23 LEU 29 2HD2 LEU 29 -9.265 0.157 -3.559 241 H LEU 30 H LEU 30 -3.458 -1.500 -4.652 242 HA LEU 30 HA LEU 30 -3.669 -3.852 -6.182 243 HB2 LEU 30 2HB LEU 30 -2.404 -1.595 -6.635 244 HB3 LEU 30 1HB LEU 30 -1.050 -2.426 -5.871 245 HG LEU 30 HG LEU 30 -1.797 -4.384 -7.524 246 HD11 LEU 30 1HD1 LEU 30 -2.713 -3.609 -9.578 247 HD12 LEU 30 2HD1 LEU 30 -2.465 -1.919 -9.141 248 HD13 LEU 30 3HD1 LEU 30 -3.711 -2.868 -8.328 249 HD21 LEU 30 3HD2 LEU 30 -0.234 -3.182 -9.259 250 HD22 LEU 30 1HD2 LEU 30 0.417 -3.633 -7.684 251 HD23 LEU 30 2HD2 LEU 30 -0.067 -1.967 -7.992 252 H LEU 31 H LEU 31 -1.517 -3.027 -3.474 253 HA LEU 31 HA LEU 31 0.042 -5.333 -3.456 254 HB2 LEU 31 2HB LEU 31 -0.266 -3.077 -1.831 255 HB3 LEU 31 1HB LEU 31 -0.606 -4.445 -0.769 256 HG LEU 31 HG LEU 31 1.856 -4.121 -2.513 257 HD11 LEU 31 1HD1 LEU 31 1.870 -2.662 -0.536 258 HD12 LEU 31 2HD1 LEU 31 3.026 -3.978 -0.330 259 HD13 LEU 31 3HD1 LEU 31 1.469 -4.035 0.496 260 HD21 LEU 31 3HD2 LEU 31 0.626 -6.411 -1.159 261 HD22 LEU 31 1HD2 LEU 31 2.296 -6.143 -0.669 262 HD23 LEU 31 2HD2 LEU 31 1.902 -6.381 -2.371 263 H THR 32 H THR 32 -3.092 -4.691 -1.914 264 HA THR 32 HA THR 32 -3.330 -7.134 -0.536 265 HB THR 32 HB THR 32 -5.496 -5.360 -1.687 266 HG1 THR 32 1HG THR 32 -5.338 -5.151 0.893 267 HG21 THR 32 3HG2 THR 32 -6.866 -7.042 -1.065 268 HG22 THR 32 1HG2 THR 32 -6.439 -6.633 0.596 269 HG23 THR 32 2HG2 THR 32 -5.559 -7.903 -0.254 270 H VAL 33 H VAL 33 -4.530 -6.171 -3.751 271 HA VAL 33 HA VAL 33 -5.793 -8.552 -4.450 272 HB VAL 33 HB VAL 33 -4.272 -6.647 -6.246 273 HG11 VAL 33 1HG1 VAL 33 -6.229 -8.886 -6.763 274 HG12 VAL 33 2HG1 VAL 33 -4.662 -8.605 -7.521 275 HG13 VAL 33 3HG1 VAL 33 -6.030 -7.560 -7.908 276 HG21 VAL 33 3HG2 VAL 33 -6.289 -5.913 -4.675 277 HG22 VAL 33 1HG2 VAL 33 -7.251 -6.702 -5.923 278 HG23 VAL 33 2HG2 VAL 33 -6.197 -5.352 -6.344 279 H LEU 34 H LEU 34 -2.403 -7.594 -4.937 280 HA LEU 34 HA LEU 34 -1.557 -9.918 -6.278 281 HB2 LEU 34 2HB LEU 34 -0.085 -8.034 -4.446 282 HB3 LEU 34 1HB LEU 34 0.712 -9.263 -5.428 283 HG LEU 34 HG LEU 34 -1.065 -7.063 -6.536 284 HD11 LEU 34 1HD1 LEU 34 0.728 -5.720 -6.346 285 HD12 LEU 34 2HD1 LEU 34 1.564 -6.773 -7.487 286 HD13 LEU 34 3HD1 LEU 34 1.724 -7.048 -5.752 287 HD21 LEU 34 3HD2 LEU 34 -1.150 -8.563 -8.258 288 HD22 LEU 34 1HD2 LEU 34 0.266 -9.448 -7.693 289 HD23 LEU 34 2HD2 LEU 34 0.469 -7.957 -8.605 290 H ALA 35 H ALA 35 -1.408 -9.090 -2.812 291 HA ALA 35 HA ALA 35 -0.258 -11.483 -1.916 292 HB1 ALA 35 1HB ALA 35 -2.301 -10.259 -0.162 293 HB2 ALA 35 2HB ALA 35 -1.022 -9.176 -0.708 294 HB3 ALA 35 3HB ALA 35 -0.614 -10.648 0.173 295 H LEU 36 H LEU 36 -3.569 -10.623 -2.667 296 HA LEU 36 HA LEU 36 -4.785 -12.933 -1.523 297 HB2 LEU 36 2HB LEU 36 -5.653 -10.621 -2.972 298 HB3 LEU 36 1HB LEU 36 -6.328 -12.049 -3.752 299 HG LEU 36 HG LEU 36 -7.828 -11.218 -1.980 300 HD11 LEU 36 1HD1 LEU 36 -6.909 -13.626 -0.607 301 HD12 LEU 36 2HD1 LEU 36 -6.964 -13.834 -2.357 302 HD13 LEU 36 3HD1 LEU 36 -8.412 -13.340 -1.482 303 HD21 LEU 36 3HD2 LEU 36 -7.058 -10.533 0.028 304 HD22 LEU 36 1HD2 LEU 36 -5.430 -10.734 -0.620 305 HD23 LEU 36 2HD2 LEU 36 -6.189 -12.049 0.278 306 H LEU 37 H LEU 37 -3.842 -12.159 -4.866 307 HA LEU 37 HA LEU 37 -4.618 -14.615 -5.999 308 HB2 LEU 37 2HB LEU 37 -3.065 -12.275 -6.788 309 HB3 LEU 37 1HB LEU 37 -2.439 -13.768 -7.489 310 HG LEU 37 HG LEU 37 -4.683 -14.327 -8.326 311 HD11 LEU 37 1HD1 LEU 37 -6.366 -13.435 -7.082 312 HD12 LEU 37 2HD1 LEU 37 -6.193 -12.051 -8.161 313 HD13 LEU 37 3HD1 LEU 37 -5.393 -12.049 -6.589 314 HD21 LEU 37 3HD2 LEU 37 -4.839 -12.579 -10.037 315 HD22 LEU 37 1HD2 LEU 37 -3.145 -12.940 -9.714 316 HD23 LEU 37 2HD2 LEU 37 -3.881 -11.488 -9.037 317 H SER 38 H SER 38 -1.509 -13.524 -4.663 318 HA SER 38 HA SER 38 0.018 -15.785 -5.256 319 HB2 SER 38 2HB SER 38 0.702 -13.505 -4.193 320 HB3 SER 38 1HB SER 38 0.358 -14.307 -2.664 321 HG SER 38 HG SER 38 2.288 -15.101 -2.898 322 H HIS 39 H HIS 39 -1.993 -15.088 -2.408 323 HA HIS 39 HA HIS 39 -1.411 -17.483 -1.016 324 HB2 HIS 39 2HB HIS 39 -2.472 -15.428 -0.031 325 HB3 HIS 39 1HB HIS 39 -3.965 -15.870 -0.863 326 HD2 HIS 39 2HD HIS 39 -4.426 -16.078 2.248 327 HE1 HIS 39 1HE HIS 39 -3.388 -20.163 2.012 328 HE2 HIS 39 2HE HIS 39 -4.504 -18.394 3.452 329 H ARG 40 H ARG 40 -4.021 -16.606 -3.260 330 HA ARG 40 HA ARG 40 -5.466 -19.022 -3.075 331 HB2 ARG 40 2HB ARG 40 -6.352 -16.941 -4.095 332 HB3 ARG 40 1HB ARG 40 -5.245 -17.160 -5.452 333 HG2 ARG 40 2HG ARG 40 -6.296 -19.265 -6.042 334 HG3 ARG 40 1HG ARG 40 -7.311 -19.206 -4.601 335 HD2 ARG 40 2HD ARG 40 -8.515 -17.304 -5.419 336 HD3 ARG 40 1HD ARG 40 -7.362 -17.057 -6.727 337 HE ARG 40 HE ARG 40 -9.592 -18.847 -6.755 338 HH11 ARG 40 1HH2 ARG 40 -6.321 -18.413 -7.797 339 HH12 ARG 40 2HH2 ARG 40 -6.485 -19.432 -9.189 340 HH21 ARG 40 1HH1 ARG 40 -9.813 -20.184 -8.576 341 HH22 ARG 40 2HH1 ARG 40 -8.461 -20.435 -9.630 342 H ARG 41 H ARG 41 -2.769 -18.025 -5.133 343 HA ARG 41 HA ARG 41 -2.770 -20.284 -6.839 344 HB2 ARG 41 2HB ARG 41 -0.656 -18.286 -6.046 345 HB3 ARG 41 1HB ARG 41 -0.306 -19.619 -7.146 346 HG2 ARG 41 2HG ARG 41 -2.777 -18.133 -7.781 347 HG3 ARG 41 1HG ARG 41 -1.298 -17.184 -7.933 348 HD2 ARG 41 2HD ARG 41 -0.325 -18.955 -9.370 349 HD3 ARG 41 1HD ARG 41 -1.828 -19.866 -9.245 350 HE ARG 41 HE ARG 41 -2.645 -17.445 -10.188 351 HH11 ARG 41 1HH2 ARG 41 -0.189 -19.709 -11.090 352 HH12 ARG 41 2HH2 ARG 41 -0.246 -19.311 -12.774 353 HH21 ARG 41 1HH1 ARG 41 -2.726 -16.917 -12.396 354 HH22 ARG 41 2HH1 ARG 41 -1.681 -17.731 -13.515 355 H THR 42 H THR 42 -1.096 -19.591 -3.787 356 HA THR 42 HA THR 42 0.471 -21.937 -3.703 357 HB THR 42 HB THR 42 -0.480 -20.907 -1.111 358 HG1 THR 42 1HG THR 42 0.756 -18.949 -1.488 359 HG21 THR 42 3HG2 THR 42 2.293 -20.971 -2.313 360 HG22 THR 42 1HG2 THR 42 1.534 -22.390 -1.595 361 HG23 THR 42 2HG2 THR 42 1.855 -20.966 -0.604 362 H LEU 43 H LEU 43 -2.737 -21.194 -2.360 363 HA LEU 43 HA LEU 43 -3.186 -23.627 -1.044 364 HB2 LEU 43 2HB LEU 43 -4.711 -21.305 -1.768 365 HB3 LEU 43 1HB LEU 43 -5.655 -22.749 -2.129 366 HG LEU 43 HG LEU 43 -4.250 -22.274 0.518 367 HD11 LEU 43 1HD1 LEU 43 -6.843 -22.078 1.150 368 HD12 LEU 43 2HD1 LEU 43 -6.937 -21.466 -0.501 369 HD13 LEU 43 3HD1 LEU 43 -5.894 -20.670 0.677 370 HD21 LEU 43 3HD2 LEU 43 -6.529 -24.036 0.576 371 HD22 LEU 43 1HD2 LEU 43 -4.849 -24.400 0.971 372 HD23 LEU 43 2HD2 LEU 43 -5.420 -24.570 -0.688 373 H GLN 44 H GLN 44 -3.934 -22.660 -4.385 374 HA GLN 44 HA GLN 44 -5.234 -24.986 -5.210 375 HB2 GLN 44 2HB GLN 44 -3.602 -22.907 -6.635 376 HB3 GLN 44 1HB GLN 44 -4.194 -24.321 -7.504 377 HG2 GLN 44 2HG GLN 44 -6.092 -22.760 -5.785 378 HG3 GLN 44 1HG GLN 44 -5.674 -22.146 -7.384 379 HE21 GLN 44 1HE2 GLN 44 -7.870 -24.138 -5.788 380 HE22 GLN 44 2HE2 GLN 44 -8.376 -25.071 -7.113 381 H GLN 45 H GLN 45 -1.766 -24.185 -5.295 382 HA GLN 45 HA GLN 45 -0.912 -26.604 -6.485 383 HB2 GLN 45 2HB GLN 45 0.388 -24.407 -4.938 384 HB3 GLN 45 1HB GLN 45 1.274 -25.914 -5.150 385 HG2 GLN 45 2HG GLN 45 -0.056 -24.701 -7.541 386 HG3 GLN 45 1HG GLN 45 1.443 -23.979 -6.958 387 HE21 GLN 45 1HE2 GLN 45 0.079 -26.750 -8.604 388 HE22 GLN 45 2HE2 GLN 45 1.551 -27.548 -8.883 389 H LYS 46 H LYS 46 -1.178 -25.601 -3.083 390 HA LYS 46 HA LYS 46 -0.148 -27.991 -1.971 391 HB2 LYS 46 2HB LYS 46 -1.784 -25.705 -0.949 392 HB3 LYS 46 1HB LYS 46 -1.640 -27.158 0.040 393 HG2 LYS 46 2HG LYS 46 0.688 -26.942 0.248 394 HG3 LYS 46 1HG LYS 46 0.812 -25.894 -1.165 395 HD2 LYS 46 2HD LYS 46 -0.051 -24.029 -0.007 396 HD3 LYS 46 1HD LYS 46 -0.735 -25.029 1.274 397 HE2 LYS 46 2HE LYS 46 2.242 -24.856 0.765 398 HE3 LYS 46 1HE LYS 46 1.404 -23.769 1.872 399 HZ1 LYS 46 3HZ LYS 46 2.214 -25.583 3.136 400 HZ2 LYS 46 1HZ LYS 46 1.590 -26.721 2.043 401 HZ3 LYS 46 2HZ LYS 46 0.533 -25.797 2.999 402 H ILE 47 H ILE 47 -3.312 -27.078 -3.140 403 HA ILE 47 HA ILE 47 -4.732 -29.247 -1.915 404 HB ILE 47 HB ILE 47 -5.373 -27.316 -4.139 405 HG12 ILE 47 2HG1 ILE 47 -6.826 -27.755 -1.530 406 HG13 ILE 47 1HG1 ILE 47 -5.372 -26.757 -1.596 407 HG21 ILE 47 1HG2 ILE 47 -7.756 -28.405 -3.711 408 HG22 ILE 47 2HG2 ILE 47 -6.788 -29.814 -3.279 409 HG23 ILE 47 3HG2 ILE 47 -6.647 -29.106 -4.888 410 HD11 ILE 47 3HD1 ILE 47 -6.406 -25.089 -2.778 411 HD12 ILE 47 1HD1 ILE 47 -7.850 -25.762 -2.023 412 HD13 ILE 47 2HD1 ILE 47 -7.426 -26.216 -3.674 413 H TRP 48 H TRP 48 -3.336 -28.664 -5.125 414 HA TRP 48 HA TRP 48 -3.353 -31.569 -5.587 415 HB2 TRP 48 2HB TRP 48 -5.330 -30.349 -6.715 416 HB3 TRP 48 1HB TRP 48 -4.113 -29.672 -7.796 417 HD1 TRP 48 HD TRP 48 -3.504 -31.096 -9.810 418 HE1 TRP 48 1HE TRP 48 -3.799 -33.570 -10.477 419 HE3 TRP 48 3HE TRP 48 -5.492 -32.946 -5.485 420 HZ2 TRP 48 2HZ TRP 48 -4.750 -36.010 -9.328 421 HZ3 TRP 48 3HZ TRP 48 -6.082 -35.345 -5.298 422 HH2 TRP 48 HH TRP 48 -5.715 -36.877 -7.212 423 HA PRO 49 HA PRO 49 0.641 -29.564 -6.767 424 HB2 PRO 49 2HB PRO 49 2.256 -31.014 -5.125 425 HB3 PRO 49 1HB PRO 49 1.419 -29.542 -4.599 426 HG2 PRO 49 2HG PRO 49 0.813 -32.371 -4.009 427 HG3 PRO 49 1HG PRO 49 0.528 -30.923 -3.035 428 HD2 PRO 49 2HD PRO 49 -1.399 -32.293 -4.566 429 HD3 PRO 49 1HD PRO 49 -1.582 -30.669 -3.866 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -21.691 35.631 -15.204 2 H2 MET 1 2HT MET 1 -20.836 36.770 -14.275 3 H3 MET 1 3HT MET 1 -21.733 35.545 -13.511 4 HA MET 1 HA MET 1 -19.502 34.901 -15.335 5 HB2 MET 1 2HB MET 1 -19.223 35.101 -12.338 6 HB3 MET 1 1HB MET 1 -17.950 34.984 -13.555 7 HG2 MET 1 2HG MET 1 -17.882 37.258 -13.047 8 HG3 MET 1 1HG MET 1 -18.978 37.245 -14.428 9 HE1 MET 1 2HE MET 1 -19.456 39.575 -13.615 10 HE2 MET 1 3HE MET 1 -20.975 39.860 -12.771 11 HE3 MET 1 1HE MET 1 -20.951 38.898 -14.255 12 H SER 2 H SER 2 -21.359 34.121 -12.390 13 HA SER 2 HA SER 2 -21.871 32.075 -11.437 14 HB2 SER 2 2HB SER 2 -23.259 32.440 -13.725 15 HB3 SER 2 1HB SER 2 -22.430 30.937 -14.113 16 HG SER 2 HG SER 2 -24.338 30.451 -13.050 17 H GLU 3 H GLU 3 -19.087 32.358 -12.097 18 HA GLU 3 HA GLU 3 -18.394 29.521 -12.215 19 HB2 GLU 3 2HB GLU 3 -18.296 30.458 -14.570 20 HB3 GLU 3 1HB GLU 3 -16.978 31.489 -14.013 21 HG2 GLU 3 2HG GLU 3 -15.654 29.733 -14.587 22 HG3 GLU 3 1HG GLU 3 -16.188 29.051 -13.053 23 HA PRO 4 HA PRO 4 -15.895 32.225 -9.312 24 HB2 PRO 4 2HB PRO 4 -16.748 31.099 -6.973 25 HB3 PRO 4 1HB PRO 4 -17.558 32.477 -7.742 26 HG2 PRO 4 2HG PRO 4 -18.313 29.608 -7.718 27 HG3 PRO 4 1HG PRO 4 -19.340 31.050 -7.679 28 HD2 PRO 4 2HD PRO 4 -18.895 29.525 -9.942 29 HD3 PRO 4 1HD PRO 4 -19.390 31.230 -9.966 30 H ALA 5 H ALA 5 -13.856 31.576 -8.876 31 HA ALA 5 HA ALA 5 -13.006 28.911 -9.304 32 HB1 ALA 5 1HB ALA 5 -11.516 30.827 -9.654 33 HB2 ALA 5 2HB ALA 5 -10.817 29.704 -8.488 34 HB3 ALA 5 3HB ALA 5 -11.573 31.195 -7.930 35 H SER 6 H SER 6 -14.647 30.201 -6.747 36 HA SER 6 HA SER 6 -13.381 29.081 -4.487 37 HB2 SER 6 2HB SER 6 -15.535 30.678 -4.825 38 HB3 SER 6 1HB SER 6 -16.343 29.145 -4.506 39 HG SER 6 HG SER 6 -14.730 30.714 -2.870 40 H LEU 7 H LEU 7 -15.640 27.748 -6.841 41 HA LEU 7 HA LEU 7 -16.453 25.424 -5.584 42 HB2 LEU 7 2HB LEU 7 -16.667 26.456 -8.129 43 HB3 LEU 7 1HB LEU 7 -15.699 25.004 -8.387 44 HG LEU 7 HG LEU 7 -18.352 25.124 -6.920 45 HD11 LEU 7 1HD1 LEU 7 -18.995 23.601 -8.891 46 HD12 LEU 7 2HD1 LEU 7 -17.523 24.184 -9.669 47 HD13 LEU 7 3HD1 LEU 7 -18.805 25.319 -9.243 48 HD21 LEU 7 3HD2 LEU 7 -16.229 23.059 -7.197 49 HD22 LEU 7 1HD2 LEU 7 -17.890 22.500 -7.407 50 HD23 LEU 7 2HD2 LEU 7 -17.408 23.294 -5.907 51 H LEU 8 H LEU 8 -13.555 25.829 -7.625 52 HA LEU 8 HA LEU 8 -12.545 23.224 -7.068 53 HB2 LEU 8 2HB LEU 8 -11.141 25.688 -8.113 54 HB3 LEU 8 1HB LEU 8 -10.466 24.060 -8.105 55 HG LEU 8 HG LEU 8 -13.061 23.888 -9.267 56 HD11 LEU 8 1HD1 LEU 8 -12.921 25.425 -11.128 57 HD12 LEU 8 2HD1 LEU 8 -11.334 25.987 -10.607 58 HD13 LEU 8 3HD1 LEU 8 -12.763 26.364 -9.643 59 HD21 LEU 8 3HD2 LEU 8 -11.678 23.263 -11.298 60 HD22 LEU 8 1HD2 LEU 8 -11.266 22.377 -9.831 61 HD23 LEU 8 2HD2 LEU 8 -10.242 23.705 -10.377 62 H THR 9 H THR 9 -11.884 26.431 -5.769 63 HA THR 9 HA THR 9 -9.782 25.608 -4.029 64 HB THR 9 HB THR 9 -11.510 27.990 -3.456 65 HG1 THR 9 1HG THR 9 -10.882 28.954 -5.221 66 HG21 THR 9 3HG2 THR 9 -8.510 27.863 -3.536 67 HG22 THR 9 1HG2 THR 9 -9.379 27.176 -2.165 68 HG23 THR 9 2HG2 THR 9 -9.554 28.888 -2.550 69 H ALA 10 H ALA 10 -13.041 24.964 -3.969 70 HA ALA 10 HA ALA 10 -13.124 24.743 -1.038 71 HB1 ALA 10 1HB ALA 10 -14.969 26.030 -1.843 72 HB2 ALA 10 2HB ALA 10 -15.604 24.444 -1.404 73 HB3 ALA 10 3HB ALA 10 -15.320 24.840 -3.098 74 H SER 11 H SER 11 -13.346 22.967 -3.989 75 HA SER 11 HA SER 11 -13.987 20.482 -2.596 76 HB2 SER 11 2HB SER 11 -14.397 21.453 -5.244 77 HB3 SER 11 1HB SER 11 -13.388 20.014 -5.341 78 HG SER 11 HG SER 11 -15.451 19.277 -5.280 79 H ASP 12 H ASP 12 -11.269 22.233 -3.285 80 HA ASP 12 HA ASP 12 -9.571 19.828 -3.107 81 HB2 ASP 12 2HB ASP 12 -8.900 22.291 -4.727 82 HB3 ASP 12 1HB ASP 12 -7.986 20.790 -4.635 83 H LEU 13 H LEU 13 -10.458 21.365 -0.924 84 HA LEU 13 HA LEU 13 -8.738 23.429 -0.124 85 HB2 LEU 13 2HB LEU 13 -9.430 22.796 2.198 86 HB3 LEU 13 1HB LEU 13 -10.785 23.000 1.088 87 HG LEU 13 HG LEU 13 -9.826 20.281 0.967 88 HD11 LEU 13 1HD1 LEU 13 -10.625 21.305 3.707 89 HD12 LEU 13 2HD1 LEU 13 -9.035 20.687 3.262 90 HD13 LEU 13 3HD1 LEU 13 -10.431 19.608 3.271 91 HD21 LEU 13 3HD2 LEU 13 -12.070 21.119 0.304 92 HD22 LEU 13 1HD2 LEU 13 -12.419 21.476 1.995 93 HD23 LEU 13 2HD2 LEU 13 -12.178 19.808 1.477 94 H ASP 14 H ASP 14 -8.292 19.973 -0.202 95 HA ASP 14 HA ASP 14 -5.556 20.348 0.826 96 HB2 ASP 14 2HB ASP 14 -7.684 18.663 1.936 97 HB3 ASP 14 1HB ASP 14 -6.158 17.825 1.669 98 HA PRO 15 HA PRO 15 -5.559 17.984 -3.131 99 HB2 PRO 15 2HB PRO 15 -3.609 19.457 -4.352 100 HB3 PRO 15 1HB PRO 15 -5.325 19.890 -4.385 101 HG2 PRO 15 2HG PRO 15 -3.109 21.080 -2.856 102 HG3 PRO 15 1HG PRO 15 -4.622 21.811 -3.417 103 HD2 PRO 15 2HD PRO 15 -4.054 20.923 -0.800 104 HD3 PRO 15 1HD PRO 15 -5.644 21.402 -1.427 105 H LEU 16 H LEU 16 -2.784 19.202 -1.290 106 HA LEU 16 HA LEU 16 -0.882 17.362 -2.238 107 HB2 LEU 16 2HB LEU 16 -1.080 19.329 -0.090 108 HB3 LEU 16 1HB LEU 16 -0.136 17.919 0.385 109 HG LEU 16 HG LEU 16 1.253 19.703 -0.678 110 HD11 LEU 16 1HD1 LEU 16 1.216 16.926 -1.224 111 HD12 LEU 16 2HD1 LEU 16 2.589 18.024 -1.368 112 HD13 LEU 16 3HD1 LEU 16 1.549 17.724 -2.761 113 HD21 LEU 16 3HD2 LEU 16 0.716 20.627 -2.685 114 HD22 LEU 16 1HD2 LEU 16 -0.888 19.954 -2.396 115 HD23 LEU 16 2HD2 LEU 16 0.273 19.068 -3.382 116 H ILE 17 H ILE 17 -3.115 17.224 0.494 117 HA ILE 17 HA ILE 17 -2.155 14.704 1.459 118 HB ILE 17 HB ILE 17 -4.899 15.846 1.959 119 HG12 ILE 17 2HG1 ILE 17 -2.210 16.695 3.053 120 HG13 ILE 17 1HG1 ILE 17 -3.476 17.713 2.364 121 HG21 ILE 17 1HG2 ILE 17 -4.798 14.605 3.967 122 HG22 ILE 17 2HG2 ILE 17 -3.047 14.431 3.875 123 HG23 ILE 17 3HG2 ILE 17 -4.083 13.522 2.773 124 HD11 ILE 17 3HD1 ILE 17 -4.886 16.621 4.375 125 HD12 ILE 17 1HD1 ILE 17 -3.924 18.083 4.588 126 HD13 ILE 17 2HD1 ILE 17 -3.276 16.522 5.088 127 H LEU 18 H LEU 18 -4.763 15.741 -0.698 128 HA LEU 18 HA LEU 18 -6.077 13.254 -0.941 129 HB2 LEU 18 2HB LEU 18 -6.089 15.831 -2.297 130 HB3 LEU 18 1HB LEU 18 -6.325 14.495 -3.423 131 HG LEU 18 HG LEU 18 -7.870 14.759 -0.831 132 HD11 LEU 18 1HD1 LEU 18 -8.470 15.789 -3.608 133 HD12 LEU 18 2HD1 LEU 18 -8.521 16.673 -2.082 134 HD13 LEU 18 3HD1 LEU 18 -9.750 15.458 -2.440 135 HD21 LEU 18 3HD2 LEU 18 -8.793 12.785 -1.425 136 HD22 LEU 18 1HD2 LEU 18 -7.546 12.657 -2.667 137 HD23 LEU 18 2HD2 LEU 18 -9.114 13.362 -3.059 138 H THR 19 H THR 19 -3.355 14.653 -2.730 139 HA THR 19 HA THR 19 -3.127 12.578 -4.648 140 HB THR 19 HB THR 19 -0.959 14.399 -3.573 141 HG1 THR 19 1HG THR 19 -2.364 14.804 -5.956 142 HG21 THR 19 3HG2 THR 19 -0.947 12.255 -5.476 143 HG22 THR 19 1HG2 THR 19 0.383 13.316 -5.012 144 HG23 THR 19 2HG2 THR 19 -0.690 13.773 -6.335 145 H LEU 20 H LEU 20 -1.325 13.194 -1.624 146 HA LEU 20 HA LEU 20 0.252 10.874 -1.693 147 HB2 LEU 20 2HB LEU 20 0.780 12.682 -0.173 148 HB3 LEU 20 1HB LEU 20 -0.762 12.484 0.660 149 HG LEU 20 HG LEU 20 0.798 9.998 0.502 150 HD11 LEU 20 1HD1 LEU 20 2.371 10.760 2.324 151 HD12 LEU 20 2HD1 LEU 20 1.896 12.418 1.951 152 HD13 LEU 20 3HD1 LEU 20 2.710 11.438 0.731 153 HD21 LEU 20 3HD2 LEU 20 -0.216 11.506 2.921 154 HD22 LEU 20 1HD2 LEU 20 0.032 9.768 2.750 155 HD23 LEU 20 2HD2 LEU 20 -1.288 10.561 1.890 156 H SER 21 H SER 21 -2.985 11.452 -0.396 157 HA SER 21 HA SER 21 -3.270 8.917 0.859 158 HB2 SER 21 2HB SER 21 -5.125 11.122 0.066 159 HB3 SER 21 1HB SER 21 -5.804 9.558 0.507 160 HG SER 21 HG SER 21 -5.205 11.354 2.173 161 H LEU 22 H LEU 22 -4.408 10.196 -2.274 162 HA LEU 22 HA LEU 22 -5.716 7.904 -3.185 163 HB2 LEU 22 2HB LEU 22 -5.697 10.197 -4.261 164 HB3 LEU 22 1HB LEU 22 -4.113 9.791 -4.921 165 HG LEU 22 HG LEU 22 -5.506 7.567 -5.627 166 HD11 LEU 22 1HD1 LEU 22 -7.718 8.189 -6.381 167 HD12 LEU 22 2HD1 LEU 22 -7.468 9.861 -5.879 168 HD13 LEU 22 3HD1 LEU 22 -7.593 8.584 -4.668 169 HD21 LEU 22 3HD2 LEU 22 -5.093 10.211 -7.012 170 HD22 LEU 22 1HD2 LEU 22 -5.880 8.870 -7.844 171 HD23 LEU 22 2HD2 LEU 22 -4.228 8.695 -7.254 172 H ILE 23 H ILE 23 -2.297 8.808 -3.424 173 HA ILE 23 HA ILE 23 -1.465 6.679 -5.051 174 HB ILE 23 HB ILE 23 -0.189 8.668 -3.295 175 HG12 ILE 23 2HG1 ILE 23 1.309 8.856 -5.204 176 HG13 ILE 23 1HG1 ILE 23 0.706 7.341 -5.875 177 HG21 ILE 23 1HG2 ILE 23 2.005 7.400 -3.344 178 HG22 ILE 23 2HG2 ILE 23 1.090 5.953 -3.757 179 HG23 ILE 23 3HG2 ILE 23 0.813 6.759 -2.208 180 HD11 ILE 23 3HD1 ILE 23 -0.258 9.834 -6.526 181 HD12 ILE 23 1HD1 ILE 23 -1.407 9.306 -5.297 182 HD13 ILE 23 2HD1 ILE 23 -1.148 8.326 -6.739 183 H LEU 24 H LEU 24 -1.539 6.969 -1.497 184 HA LEU 24 HA LEU 24 -0.542 4.370 -1.009 185 HB2 LEU 24 2HB LEU 24 -1.759 6.555 0.573 186 HB3 LEU 24 1HB LEU 24 -1.947 4.938 1.251 187 HG LEU 24 HG LEU 24 0.714 6.022 0.294 188 HD11 LEU 24 1HD1 LEU 24 -0.125 7.444 2.117 189 HD12 LEU 24 2HD1 LEU 24 1.212 6.445 2.682 190 HD13 LEU 24 3HD1 LEU 24 -0.447 6.014 3.097 191 HD21 LEU 24 3HD2 LEU 24 1.477 3.966 0.810 192 HD22 LEU 24 1HD2 LEU 24 -0.189 3.454 1.078 193 HD23 LEU 24 2HD2 LEU 24 0.772 4.068 2.422 194 H VAL 25 H VAL 25 -3.730 5.661 -1.548 195 HA VAL 25 HA VAL 25 -5.208 3.402 -0.645 196 HB VAL 25 HB VAL 25 -5.891 5.621 -2.580 197 HG11 VAL 25 1HG1 VAL 25 -7.481 4.125 -3.275 198 HG12 VAL 25 2HG1 VAL 25 -8.285 4.634 -1.791 199 HG13 VAL 25 3HG1 VAL 25 -7.343 3.144 -1.816 200 HG21 VAL 25 3HG2 VAL 25 -7.190 5.194 0.075 201 HG22 VAL 25 1HG2 VAL 25 -6.817 6.701 -0.761 202 HG23 VAL 25 2HG2 VAL 25 -5.539 5.813 0.068 203 H LEU 26 H LEU 26 -4.200 4.453 -3.902 204 HA LEU 26 HA LEU 26 -5.241 2.212 -5.263 205 HB2 LEU 26 2HB LEU 26 -3.841 4.568 -5.937 206 HB3 LEU 26 1HB LEU 26 -2.876 3.229 -6.557 207 HG LEU 26 HG LEU 26 -5.834 3.659 -7.066 208 HD11 LEU 26 1HD1 LEU 26 -3.331 4.193 -8.643 209 HD12 LEU 26 2HD1 LEU 26 -4.766 5.202 -8.459 210 HD13 LEU 26 3HD1 LEU 26 -4.820 3.771 -9.488 211 HD21 LEU 26 3HD2 LEU 26 -5.839 1.444 -7.500 212 HD22 LEU 26 1HD2 LEU 26 -4.091 1.342 -7.294 213 HD23 LEU 26 2HD2 LEU 26 -4.767 1.787 -8.860 214 H ILE 27 H ILE 27 -2.019 2.885 -3.927 215 HA ILE 27 HA ILE 27 -0.799 0.494 -4.827 216 HB ILE 27 HB ILE 27 -0.140 2.270 -2.469 217 HG12 ILE 27 2HG1 ILE 27 -0.103 3.038 -5.017 218 HG13 ILE 27 1HG1 ILE 27 1.192 3.503 -3.915 219 HG21 ILE 27 1HG2 ILE 27 0.949 0.218 -2.021 220 HG22 ILE 27 2HG2 ILE 27 2.173 1.177 -2.852 221 HG23 ILE 27 3HG2 ILE 27 1.289 -0.072 -3.727 222 HD11 ILE 27 3HD1 ILE 27 1.882 2.507 -6.199 223 HD12 ILE 27 1HD1 ILE 27 1.357 0.959 -5.538 224 HD13 ILE 27 2HD1 ILE 27 2.664 1.850 -4.764 225 H SER 28 H SER 28 -2.251 1.372 -1.695 226 HA SER 28 HA SER 28 -1.821 -1.012 -0.339 227 HB2 SER 28 2HB SER 28 -2.700 0.901 0.830 228 HB3 SER 28 1HB SER 28 -4.139 0.922 -0.186 229 HG SER 28 HG SER 28 -4.947 -0.355 1.268 230 H LEU 29 H LEU 29 -4.487 -0.120 -2.495 231 HA LEU 29 HA LEU 29 -6.014 -2.464 -2.186 232 HB2 LEU 29 2HB LEU 29 -5.978 -0.159 -3.950 233 HB3 LEU 29 1HB LEU 29 -6.381 -1.632 -4.830 234 HG LEU 29 HG LEU 29 -7.710 -0.900 -2.214 235 HD11 LEU 29 1HD1 LEU 29 -8.627 0.819 -3.383 236 HD12 LEU 29 2HD1 LEU 29 -9.599 -0.447 -4.131 237 HD13 LEU 29 3HD1 LEU 29 -8.148 0.143 -4.941 238 HD21 LEU 29 3HD2 LEU 29 -7.655 -3.248 -3.663 239 HD22 LEU 29 1HD2 LEU 29 -9.117 -2.469 -4.270 240 HD23 LEU 29 2HD2 LEU 29 -8.939 -2.785 -2.546 241 H LEU 30 H LEU 30 -3.624 -1.617 -4.690 242 HA LEU 30 HA LEU 30 -3.698 -4.055 -6.075 243 HB2 LEU 30 2HB LEU 30 -2.558 -1.862 -6.755 244 HB3 LEU 30 1HB LEU 30 -1.209 -2.387 -5.747 245 HG LEU 30 HG LEU 30 -1.615 -4.654 -7.159 246 HD11 LEU 30 1HD1 LEU 30 -2.259 -2.408 -9.093 247 HD12 LEU 30 2HD1 LEU 30 -3.458 -3.531 -8.450 248 HD13 LEU 30 3HD1 LEU 30 -2.147 -4.128 -9.468 249 HD21 LEU 30 3HD2 LEU 30 0.520 -3.449 -6.929 250 HD22 LEU 30 1HD2 LEU 30 -0.032 -2.230 -8.077 251 HD23 LEU 30 2HD2 LEU 30 0.245 -3.886 -8.615 252 H LEU 31 H LEU 31 -1.684 -3.013 -3.336 253 HA LEU 31 HA LEU 31 0.001 -5.215 -3.176 254 HB2 LEU 31 2HB LEU 31 -0.269 -2.925 -1.754 255 HB3 LEU 31 1HB LEU 31 -0.928 -4.089 -0.604 256 HG LEU 31 HG LEU 31 1.777 -4.264 -1.966 257 HD11 LEU 31 1HD1 LEU 31 2.723 -3.641 0.081 258 HD12 LEU 31 2HD1 LEU 31 1.278 -4.077 0.993 259 HD13 LEU 31 3HD1 LEU 31 1.293 -2.611 0.012 260 HD21 LEU 31 3HD2 LEU 31 0.174 -6.153 -0.279 261 HD22 LEU 31 1HD2 LEU 31 1.927 -6.139 -0.100 262 HD23 LEU 31 2HD2 LEU 31 1.205 -6.500 -1.666 263 H THR 32 H THR 32 -3.212 -4.707 -1.757 264 HA THR 32 HA THR 32 -3.300 -7.178 -0.352 265 HB THR 32 HB THR 32 -5.574 -5.447 -1.353 266 HG1 THR 32 1HG THR 32 -5.477 -4.739 0.869 267 HG21 THR 32 3HG2 THR 32 -6.513 -7.539 -0.786 268 HG22 THR 32 1HG2 THR 32 -6.693 -6.579 0.680 269 HG23 THR 32 2HG2 THR 32 -5.399 -7.770 0.561 270 H VAL 33 H VAL 33 -4.398 -6.158 -3.561 271 HA VAL 33 HA VAL 33 -5.769 -8.503 -4.282 272 HB VAL 33 HB VAL 33 -4.213 -6.598 -6.049 273 HG11 VAL 33 1HG1 VAL 33 -6.437 -7.650 -7.396 274 HG12 VAL 33 2HG1 VAL 33 -5.708 -9.035 -6.582 275 HG13 VAL 33 3HG1 VAL 33 -4.745 -8.054 -7.687 276 HG21 VAL 33 3HG2 VAL 33 -6.486 -6.163 -4.445 277 HG22 VAL 33 1HG2 VAL 33 -7.105 -6.380 -6.081 278 HG23 VAL 33 2HG2 VAL 33 -5.903 -5.133 -5.753 279 H LEU 34 H LEU 34 -2.357 -7.586 -4.741 280 HA LEU 34 HA LEU 34 -1.558 -9.910 -6.121 281 HB2 LEU 34 2HB LEU 34 -0.025 -8.056 -4.305 282 HB3 LEU 34 1HB LEU 34 0.730 -9.293 -5.308 283 HG LEU 34 HG LEU 34 -1.158 -7.348 -6.600 284 HD11 LEU 34 1HD1 LEU 34 0.891 -5.899 -7.061 285 HD12 LEU 34 2HD1 LEU 34 1.687 -6.770 -5.752 286 HD13 LEU 34 3HD1 LEU 34 0.245 -5.811 -5.423 287 HD21 LEU 34 3HD2 LEU 34 0.431 -7.700 -8.498 288 HD22 LEU 34 1HD2 LEU 34 -0.276 -9.209 -7.924 289 HD23 LEU 34 2HD2 LEU 34 1.375 -8.783 -7.475 290 H ALA 35 H ALA 35 -1.334 -9.101 -2.651 291 HA ALA 35 HA ALA 35 -0.251 -11.564 -1.816 292 HB1 ALA 35 1HB ALA 35 -1.906 -9.477 -0.396 293 HB2 ALA 35 2HB ALA 35 -0.168 -9.759 -0.278 294 HB3 ALA 35 3HB ALA 35 -1.301 -10.916 0.424 295 H LEU 36 H LEU 36 -3.527 -10.542 -2.475 296 HA LEU 36 HA LEU 36 -4.839 -12.770 -1.252 297 HB2 LEU 36 2HB LEU 36 -6.025 -10.678 -1.772 298 HB3 LEU 36 1HB LEU 36 -5.789 -10.972 -3.493 299 HG LEU 36 HG LEU 36 -6.953 -13.279 -2.121 300 HD11 LEU 36 1HD1 LEU 36 -8.045 -11.694 -0.691 301 HD12 LEU 36 2HD1 LEU 36 -9.222 -12.143 -1.924 302 HD13 LEU 36 3HD1 LEU 36 -8.369 -10.604 -2.040 303 HD21 LEU 36 3HD2 LEU 36 -8.553 -13.085 -4.011 304 HD22 LEU 36 1HD2 LEU 36 -6.880 -13.013 -4.562 305 HD23 LEU 36 2HD2 LEU 36 -7.836 -11.534 -4.445 306 H LEU 37 H LEU 37 -3.977 -12.043 -4.633 307 HA LEU 37 HA LEU 37 -4.903 -14.503 -5.694 308 HB2 LEU 37 2HB LEU 37 -3.103 -12.313 -6.652 309 HB3 LEU 37 1HB LEU 37 -3.142 -13.836 -7.542 310 HG LEU 37 HG LEU 37 -5.733 -12.533 -6.766 311 HD11 LEU 37 1HD1 LEU 37 -3.990 -11.761 -9.127 312 HD12 LEU 37 2HD1 LEU 37 -4.472 -10.712 -7.793 313 HD13 LEU 37 3HD1 LEU 37 -5.681 -11.297 -8.936 314 HD21 LEU 37 3HD2 LEU 37 -6.617 -13.914 -8.381 315 HD22 LEU 37 1HD2 LEU 37 -5.181 -14.865 -8.000 316 HD23 LEU 37 2HD2 LEU 37 -5.189 -13.802 -9.408 317 H SER 38 H SER 38 -1.829 -13.468 -4.326 318 HA SER 38 HA SER 38 -0.280 -15.691 -5.146 319 HB2 SER 38 2HB SER 38 1.384 -14.819 -3.806 320 HB3 SER 38 1HB SER 38 0.381 -13.387 -4.024 321 HG SER 38 HG SER 38 -0.734 -14.396 -2.038 322 H HIS 39 H HIS 39 -2.101 -15.040 -2.156 323 HA HIS 39 HA HIS 39 -1.448 -17.436 -0.824 324 HB2 HIS 39 2HB HIS 39 -3.507 -15.324 -0.557 325 HB3 HIS 39 1HB HIS 39 -3.906 -16.885 0.158 326 HD2 HIS 39 2HD HIS 39 -1.354 -17.834 1.697 327 HE1 HIS 39 1HE HIS 39 -0.794 -13.879 3.060 328 HE2 HIS 39 2HE HIS 39 -0.149 -16.306 3.436 329 H ARG 40 H ARG 40 -3.992 -16.633 -3.139 330 HA ARG 40 HA ARG 40 -5.423 -19.083 -2.888 331 HB2 ARG 40 2HB ARG 40 -6.587 -17.234 -3.838 332 HB3 ARG 40 1HB ARG 40 -5.324 -16.969 -5.040 333 HG2 ARG 40 2HG ARG 40 -5.915 -18.893 -6.268 334 HG3 ARG 40 1HG ARG 40 -6.813 -19.584 -4.915 335 HD2 ARG 40 2HD ARG 40 -8.635 -18.142 -5.214 336 HD3 ARG 40 1HD ARG 40 -7.677 -16.964 -6.106 337 HE ARG 40 HE ARG 40 -7.860 -19.485 -7.479 338 HH11 ARG 40 1HH2 ARG 40 -9.462 -16.501 -6.764 339 HH12 ARG 40 2HH2 ARG 40 -10.426 -16.514 -8.204 340 HH21 ARG 40 1HH1 ARG 40 -9.120 -19.508 -9.369 341 HH22 ARG 40 2HH1 ARG 40 -10.231 -18.216 -9.679 342 H ARG 41 H ARG 41 -3.004 -17.914 -5.225 343 HA ARG 41 HA ARG 41 -2.932 -20.164 -6.881 344 HB2 ARG 41 2HB ARG 41 -1.024 -17.962 -6.232 345 HB3 ARG 41 1HB ARG 41 -0.409 -19.364 -7.111 346 HG2 ARG 41 2HG ARG 41 -1.960 -19.052 -8.894 347 HG3 ARG 41 1HG ARG 41 -2.918 -17.905 -7.958 348 HD2 ARG 41 2HD ARG 41 -1.392 -16.182 -8.244 349 HD3 ARG 41 1HD ARG 41 -0.034 -17.282 -8.460 350 HE ARG 41 HE ARG 41 -2.010 -17.396 -10.580 351 HH11 ARG 41 1HH2 ARG 41 0.864 -15.921 -9.339 352 HH12 ARG 41 2HH2 ARG 41 1.430 -15.396 -10.889 353 HH21 ARG 41 1HH1 ARG 41 -1.275 -16.710 -12.617 354 HH22 ARG 41 2HH1 ARG 41 0.219 -15.843 -12.745 355 H THR 42 H THR 42 -1.206 -19.483 -3.866 356 HA THR 42 HA THR 42 0.459 -21.780 -3.919 357 HB THR 42 HB THR 42 0.282 -21.286 -1.291 358 HG1 THR 42 1HG THR 42 -1.467 -19.750 -1.880 359 HG21 THR 42 3HG2 THR 42 2.318 -21.027 -2.562 360 HG22 THR 42 1HG2 THR 42 2.046 -19.529 -1.675 361 HG23 THR 42 2HG2 THR 42 1.673 -19.614 -3.396 362 H LEU 43 H LEU 43 -2.667 -21.121 -2.347 363 HA LEU 43 HA LEU 43 -2.968 -23.600 -1.071 364 HB2 LEU 43 2HB LEU 43 -4.502 -21.265 -1.408 365 HB3 LEU 43 1HB LEU 43 -5.503 -22.585 -2.015 366 HG LEU 43 HG LEU 43 -4.102 -22.574 0.678 367 HD11 LEU 43 1HD1 LEU 43 -5.821 -21.260 1.316 368 HD12 LEU 43 2HD1 LEU 43 -6.858 -22.663 1.057 369 HD13 LEU 43 3HD1 LEU 43 -6.649 -21.471 -0.227 370 HD21 LEU 43 3HD2 LEU 43 -4.512 -24.792 0.618 371 HD22 LEU 43 1HD2 LEU 43 -5.335 -24.642 -0.934 372 HD23 LEU 43 2HD2 LEU 43 -6.235 -24.423 0.565 373 H GLN 44 H GLN 44 -3.846 -22.547 -4.333 374 HA GLN 44 HA GLN 44 -5.277 -24.836 -5.117 375 HB2 GLN 44 2HB GLN 44 -5.399 -22.878 -6.484 376 HB3 GLN 44 1HB GLN 44 -3.650 -22.847 -6.707 377 HG2 GLN 44 2HG GLN 44 -3.675 -24.750 -8.104 378 HG3 GLN 44 1HG GLN 44 -5.287 -25.226 -7.572 379 HE21 GLN 44 1HE2 GLN 44 -6.223 -25.176 -9.717 380 HE22 GLN 44 2HE2 GLN 44 -6.438 -23.725 -10.567 381 H GLN 45 H GLN 45 -1.818 -24.053 -5.403 382 HA GLN 45 HA GLN 45 -1.086 -26.446 -6.737 383 HB2 GLN 45 2HB GLN 45 0.310 -24.213 -5.387 384 HB3 GLN 45 1HB GLN 45 1.194 -25.739 -5.461 385 HG2 GLN 45 2HG GLN 45 1.031 -25.825 -7.847 386 HG3 GLN 45 1HG GLN 45 -0.142 -24.509 -7.878 387 HE21 GLN 45 1HE2 GLN 45 3.003 -25.062 -8.614 388 HE22 GLN 45 2HE2 GLN 45 3.669 -23.544 -8.249 389 H LYS 46 H LYS 46 -1.177 -25.522 -3.318 390 HA LYS 46 HA LYS 46 0.057 -27.761 -2.207 391 HB2 LYS 46 2HB LYS 46 -0.489 -25.833 -0.847 392 HB3 LYS 46 1HB LYS 46 -2.214 -26.080 -1.126 393 HG2 LYS 46 2HG LYS 46 -2.259 -28.063 0.163 394 HG3 LYS 46 1HG LYS 46 -0.504 -28.236 0.115 395 HD2 LYS 46 2HD LYS 46 -1.650 -25.757 1.343 396 HD3 LYS 46 1HD LYS 46 -1.717 -27.257 2.269 397 HE2 LYS 46 2HE LYS 46 0.879 -26.581 0.961 398 HE3 LYS 46 1HE LYS 46 0.409 -25.626 2.368 399 HZ1 LYS 46 3HZ LYS 46 -0.112 -28.348 2.863 400 HZ2 LYS 46 1HZ LYS 46 0.942 -27.303 3.684 401 HZ3 LYS 46 2HZ LYS 46 1.495 -28.181 2.338 402 H ILE 47 H ILE 47 -3.381 -27.238 -2.969 403 HA ILE 47 HA ILE 47 -4.243 -29.797 -2.082 404 HB ILE 47 HB ILE 47 -5.497 -27.851 -4.031 405 HG12 ILE 47 2HG1 ILE 47 -6.477 -28.389 -1.253 406 HG13 ILE 47 1HG1 ILE 47 -5.045 -27.378 -1.445 407 HG21 ILE 47 1HG2 ILE 47 -6.324 -30.520 -2.988 408 HG22 ILE 47 2HG2 ILE 47 -6.702 -29.749 -4.528 409 HG23 ILE 47 3HG2 ILE 47 -7.565 -29.270 -3.067 410 HD11 ILE 47 3HD1 ILE 47 -7.650 -26.905 -2.920 411 HD12 ILE 47 1HD1 ILE 47 -6.243 -25.841 -2.880 412 HD13 ILE 47 2HD1 ILE 47 -7.207 -26.085 -1.423 413 H TRP 48 H TRP 48 -3.193 -28.535 -5.208 414 HA TRP 48 HA TRP 48 -3.013 -31.313 -6.188 415 HB2 TRP 48 2HB TRP 48 -4.418 -28.992 -7.426 416 HB3 TRP 48 1HB TRP 48 -3.567 -30.112 -8.490 417 HD1 TRP 48 HD TRP 48 -6.831 -29.645 -7.033 418 HE1 TRP 48 1HE TRP 48 -8.169 -31.847 -6.948 419 HE3 TRP 48 3HE TRP 48 -3.070 -32.996 -7.873 420 HZ2 TRP 48 2HZ TRP 48 -7.705 -34.657 -7.204 421 HZ3 TRP 48 3HZ TRP 48 -3.546 -35.427 -7.948 422 HH2 TRP 48 HH TRP 48 -5.857 -36.261 -7.614 423 HA PRO 49 HA PRO 49 1.040 -28.981 -6.401 424 HB2 PRO 49 2HB PRO 49 1.902 -31.827 -6.165 425 HB3 PRO 49 1HB PRO 49 2.522 -30.388 -5.334 426 HG2 PRO 49 2HG PRO 49 0.971 -32.160 -4.087 427 HG3 PRO 49 1HG PRO 49 0.866 -30.424 -3.748 428 HD2 PRO 49 2HD PRO 49 -1.015 -32.158 -5.289 429 HD3 PRO 49 1HD PRO 49 -1.352 -30.711 -4.313 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -22.444 33.817 -8.448 2 H2 MET 1 2HT MET 1 -22.466 34.700 -6.998 3 H3 MET 1 3HT MET 1 -22.651 35.499 -8.487 4 HA MET 1 HA MET 1 -24.757 35.217 -7.233 5 HB2 MET 1 2HB MET 1 -24.735 35.544 -9.676 6 HB3 MET 1 1HB MET 1 -24.524 33.808 -9.909 7 HG2 MET 1 2HG MET 1 -26.694 33.314 -9.258 8 HG3 MET 1 1HG MET 1 -26.826 34.748 -8.242 9 HE1 MET 1 2HE MET 1 -26.335 33.316 -11.600 10 HE2 MET 1 3HE MET 1 -25.542 34.793 -12.145 11 HE3 MET 1 1HE MET 1 -27.143 34.364 -12.764 12 H SER 2 H SER 2 -23.780 32.175 -8.838 13 HA SER 2 HA SER 2 -24.648 30.686 -6.456 14 HB2 SER 2 2HB SER 2 -25.778 30.445 -9.222 15 HB3 SER 2 1HB SER 2 -25.678 29.016 -8.197 16 HG SER 2 HG SER 2 -26.602 30.987 -6.709 17 H GLU 3 H GLU 3 -22.314 31.317 -8.664 18 HA GLU 3 HA GLU 3 -21.006 28.733 -8.161 19 HB2 GLU 3 2HB GLU 3 -20.213 28.625 -10.484 20 HB3 GLU 3 1HB GLU 3 -21.975 28.568 -10.408 21 HG2 GLU 3 2HG GLU 3 -21.270 31.307 -10.522 22 HG3 GLU 3 1HG GLU 3 -20.295 30.490 -11.743 23 HA PRO 4 HA PRO 4 -18.329 32.544 -7.603 24 HB2 PRO 4 2HB PRO 4 -17.882 32.253 -4.918 25 HB3 PRO 4 1HB PRO 4 -19.236 33.182 -5.588 26 HG2 PRO 4 2HG PRO 4 -19.206 30.460 -4.412 27 HG3 PRO 4 1HG PRO 4 -20.454 31.715 -4.335 28 HD2 PRO 4 2HD PRO 4 -20.563 29.517 -6.013 29 HD3 PRO 4 1HD PRO 4 -21.433 31.039 -6.297 30 H ALA 5 H ALA 5 -16.071 32.514 -7.437 31 HA ALA 5 HA ALA 5 -14.784 30.030 -7.868 32 HB1 ALA 5 1HB ALA 5 -13.725 31.883 -8.855 33 HB2 ALA 5 2HB ALA 5 -12.672 31.477 -7.499 34 HB3 ALA 5 3HB ALA 5 -13.799 32.827 -7.366 35 H SER 6 H SER 6 -15.827 31.496 -5.054 36 HA SER 6 HA SER 6 -13.784 30.781 -3.223 37 HB2 SER 6 2HB SER 6 -15.275 32.272 -2.279 38 HB3 SER 6 1HB SER 6 -16.679 31.493 -3.002 39 HG SER 6 HG SER 6 -16.858 30.416 -1.217 40 H LEU 7 H LEU 7 -16.298 28.968 -4.784 41 HA LEU 7 HA LEU 7 -16.624 26.826 -3.030 42 HB2 LEU 7 2HB LEU 7 -17.366 27.459 -5.684 43 HB3 LEU 7 1HB LEU 7 -16.577 25.882 -5.746 44 HG LEU 7 HG LEU 7 -18.799 26.617 -3.814 45 HD11 LEU 7 1HD1 LEU 7 -18.854 25.795 -6.593 46 HD12 LEU 7 2HD1 LEU 7 -20.191 26.262 -5.542 47 HD13 LEU 7 3HD1 LEU 7 -19.632 24.590 -5.566 48 HD21 LEU 7 3HD2 LEU 7 -18.156 24.743 -2.739 49 HD22 LEU 7 1HD2 LEU 7 -16.897 24.448 -3.939 50 HD23 LEU 7 2HD2 LEU 7 -18.525 23.822 -4.197 51 H LEU 8 H LEU 8 -14.315 27.148 -5.723 52 HA LEU 8 HA LEU 8 -12.956 24.708 -5.061 53 HB2 LEU 8 2HB LEU 8 -12.297 26.994 -6.915 54 HB3 LEU 8 1HB LEU 8 -11.258 25.582 -6.725 55 HG LEU 8 HG LEU 8 -14.005 24.749 -7.119 56 HD11 LEU 8 1HD1 LEU 8 -14.122 25.513 -9.521 57 HD12 LEU 8 2HD1 LEU 8 -12.809 26.634 -9.162 58 HD13 LEU 8 3HD1 LEU 8 -14.357 26.792 -8.330 59 HD21 LEU 8 3HD2 LEU 8 -12.986 23.386 -8.841 60 HD22 LEU 8 1HD2 LEU 8 -11.872 23.445 -7.475 61 HD23 LEU 8 2HD2 LEU 8 -11.571 24.437 -8.902 62 H THR 9 H THR 9 -12.457 28.112 -4.415 63 HA THR 9 HA THR 9 -9.852 28.043 -3.427 64 HB THR 9 HB THR 9 -11.918 29.769 -2.118 65 HG1 THR 9 1HG THR 9 -11.027 29.836 -4.795 66 HG21 THR 9 3HG2 THR 9 -9.410 29.822 -1.615 67 HG22 THR 9 1HG2 THR 9 -10.150 31.362 -2.054 68 HG23 THR 9 2HG2 THR 9 -9.202 30.468 -3.244 69 H ALA 10 H ALA 10 -12.846 27.092 -1.952 70 HA ALA 10 HA ALA 10 -11.612 26.699 0.651 71 HB1 ALA 10 1HB ALA 10 -13.930 25.822 1.242 72 HB2 ALA 10 2HB ALA 10 -14.419 26.335 -0.373 73 HB3 ALA 10 3HB ALA 10 -13.830 27.524 0.788 74 H SER 11 H SER 11 -13.040 24.761 -1.890 75 HA SER 11 HA SER 11 -12.597 22.253 -0.608 76 HB2 SER 11 2HB SER 11 -14.243 22.219 -2.295 77 HB3 SER 11 1HB SER 11 -13.201 23.047 -3.446 78 HG SER 11 HG SER 11 -13.405 20.391 -2.849 79 H ASP 12 H ASP 12 -10.465 24.437 -1.876 80 HA ASP 12 HA ASP 12 -8.463 22.349 -2.501 81 HB2 ASP 12 2HB ASP 12 -8.568 25.242 -3.385 82 HB3 ASP 12 1HB ASP 12 -7.272 24.108 -3.762 83 H LEU 13 H LEU 13 -9.259 23.408 0.162 84 HA LEU 13 HA LEU 13 -7.439 25.232 1.215 85 HB2 LEU 13 2HB LEU 13 -7.890 24.171 3.391 86 HB3 LEU 13 1HB LEU 13 -9.376 24.388 2.467 87 HG LEU 13 HG LEU 13 -8.514 21.906 1.618 88 HD11 LEU 13 1HD1 LEU 13 -6.818 22.142 3.582 89 HD12 LEU 13 2HD1 LEU 13 -7.736 20.643 3.445 90 HD13 LEU 13 3HD1 LEU 13 -8.219 21.867 4.617 91 HD21 LEU 13 3HD2 LEU 13 -10.809 22.412 2.138 92 HD22 LEU 13 1HD2 LEU 13 -10.419 22.706 3.833 93 HD23 LEU 13 2HD2 LEU 13 -10.327 21.072 3.178 94 H ASP 14 H ASP 14 -7.070 21.793 0.550 95 HA ASP 14 HA ASP 14 -4.238 21.974 0.432 96 HB2 ASP 14 2HB ASP 14 -4.522 22.079 2.890 97 HB3 ASP 14 1HB ASP 14 -5.331 20.513 2.840 98 HA PRO 15 HA PRO 15 -6.144 18.290 -1.587 99 HB2 PRO 15 2HB PRO 15 -5.181 18.782 -4.092 100 HB3 PRO 15 1HB PRO 15 -6.685 19.487 -3.474 101 HG2 PRO 15 2HG PRO 15 -4.043 20.730 -3.875 102 HG3 PRO 15 1HG PRO 15 -5.657 21.457 -3.918 103 HD2 PRO 15 2HD PRO 15 -3.822 21.597 -1.788 104 HD3 PRO 15 1HD PRO 15 -5.536 22.055 -1.728 105 H LEU 16 H LEU 16 -3.057 19.349 -0.874 106 HA LEU 16 HA LEU 16 -1.439 17.504 -2.288 107 HB2 LEU 16 2HB LEU 16 -0.994 18.950 0.334 108 HB3 LEU 16 1HB LEU 16 0.246 18.011 -0.497 109 HG LEU 16 HG LEU 16 -1.221 20.073 -2.081 110 HD11 LEU 16 1HD1 LEU 16 0.408 21.802 -1.293 111 HD12 LEU 16 2HD1 LEU 16 0.932 20.685 -0.032 112 HD13 LEU 16 3HD1 LEU 16 -0.723 21.300 -0.034 113 HD21 LEU 16 3HD2 LEU 16 0.637 18.431 -2.860 114 HD22 LEU 16 1HD2 LEU 16 1.739 19.491 -1.979 115 HD23 LEU 16 2HD2 LEU 16 0.789 20.128 -3.323 116 H ILE 17 H ILE 17 -3.218 17.317 0.730 117 HA ILE 17 HA ILE 17 -2.045 14.911 1.685 118 HB ILE 17 HB ILE 17 -4.761 16.133 2.229 119 HG12 ILE 17 2HG1 ILE 17 -2.260 16.145 3.938 120 HG13 ILE 17 1HG1 ILE 17 -2.656 17.449 2.819 121 HG21 ILE 17 1HG2 ILE 17 -5.184 14.131 3.201 122 HG22 ILE 17 2HG2 ILE 17 -4.007 14.618 4.421 123 HG23 ILE 17 3HG2 ILE 17 -3.503 13.615 3.061 124 HD11 ILE 17 3HD1 ILE 17 -4.331 18.246 4.141 125 HD12 ILE 17 1HD1 ILE 17 -3.488 17.371 5.418 126 HD13 ILE 17 2HD1 ILE 17 -4.865 16.631 4.603 127 H LEU 18 H LEU 18 -4.926 15.597 -0.268 128 HA LEU 18 HA LEU 18 -5.857 12.923 -0.429 129 HB2 LEU 18 2HB LEU 18 -6.298 15.401 -2.077 130 HB3 LEU 18 1HB LEU 18 -6.966 13.851 -2.588 131 HG LEU 18 HG LEU 18 -7.396 14.548 0.261 132 HD11 LEU 18 1HD1 LEU 18 -8.518 16.151 -2.029 133 HD12 LEU 18 2HD1 LEU 18 -7.878 16.723 -0.490 134 HD13 LEU 18 3HD1 LEU 18 -9.451 15.928 -0.550 135 HD21 LEU 18 3HD2 LEU 18 -9.413 13.706 -1.823 136 HD22 LEU 18 1HD2 LEU 18 -9.428 13.388 -0.087 137 HD23 LEU 18 2HD2 LEU 18 -8.283 12.543 -1.129 138 H THR 19 H THR 19 -3.533 14.766 -2.313 139 HA THR 19 HA THR 19 -3.273 12.993 -4.490 140 HB THR 19 HB THR 19 -0.932 14.542 -3.431 141 HG1 THR 19 1HG THR 19 -2.996 15.749 -3.305 142 HG21 THR 19 3HG2 THR 19 -2.044 14.348 -6.232 143 HG22 THR 19 1HG2 THR 19 -0.961 13.124 -5.572 144 HG23 THR 19 2HG2 THR 19 -0.411 14.792 -5.735 145 H LEU 20 H LEU 20 -1.402 13.248 -1.458 146 HA LEU 20 HA LEU 20 0.268 11.017 -2.002 147 HB2 LEU 20 2HB LEU 20 0.900 12.715 -0.365 148 HB3 LEU 20 1HB LEU 20 -0.500 12.306 0.628 149 HG LEU 20 HG LEU 20 1.027 9.917 0.022 150 HD11 LEU 20 1HD1 LEU 20 3.060 10.473 1.261 151 HD12 LEU 20 2HD1 LEU 20 2.517 12.143 1.432 152 HD13 LEU 20 3HD1 LEU 20 2.909 11.502 -0.165 153 HD21 LEU 20 3HD2 LEU 20 1.011 9.761 2.497 154 HD22 LEU 20 1HD2 LEU 20 -0.584 10.163 1.863 155 HD23 LEU 20 2HD2 LEU 20 0.419 11.419 2.588 156 H SER 21 H SER 21 -2.770 11.409 -0.215 157 HA SER 21 HA SER 21 -2.947 8.816 0.848 158 HB2 SER 21 2HB SER 21 -5.118 9.362 1.421 159 HB3 SER 21 1HB SER 21 -4.436 10.969 1.187 160 HG SER 21 HG SER 21 -6.288 9.569 -0.311 161 H LEU 22 H LEU 22 -4.182 10.136 -2.219 162 HA LEU 22 HA LEU 22 -5.452 7.834 -3.171 163 HB2 LEU 22 2HB LEU 22 -4.616 10.373 -4.233 164 HB3 LEU 22 1HB LEU 22 -4.260 9.096 -5.396 165 HG LEU 22 HG LEU 22 -6.588 8.268 -5.175 166 HD11 LEU 22 1HD1 LEU 22 -7.814 10.555 -4.002 167 HD12 LEU 22 2HD1 LEU 22 -6.546 10.020 -2.899 168 HD13 LEU 22 3HD1 LEU 22 -7.816 8.899 -3.397 169 HD21 LEU 22 3HD2 LEU 22 -7.664 10.476 -6.106 170 HD22 LEU 22 1HD2 LEU 22 -6.366 9.703 -7.014 171 HD23 LEU 22 2HD2 LEU 22 -6.020 11.106 -6.002 172 H ILE 23 H ILE 23 -2.079 8.875 -3.613 173 HA ILE 23 HA ILE 23 -1.243 6.779 -5.254 174 HB ILE 23 HB ILE 23 0.048 8.765 -3.495 175 HG12 ILE 23 2HG1 ILE 23 1.465 9.031 -5.479 176 HG13 ILE 23 1HG1 ILE 23 0.789 7.561 -6.182 177 HG21 ILE 23 1HG2 ILE 23 2.275 7.565 -3.726 178 HG22 ILE 23 2HG2 ILE 23 1.368 6.108 -4.120 179 HG23 ILE 23 3HG2 ILE 23 1.176 6.866 -2.536 180 HD11 ILE 23 3HD1 ILE 23 -1.095 8.620 -6.868 181 HD12 ILE 23 1HD1 ILE 23 -0.174 10.105 -6.625 182 HD13 ILE 23 2HD1 ILE 23 -1.247 9.515 -5.357 183 H LEU 24 H LEU 24 -1.221 7.009 -1.696 184 HA LEU 24 HA LEU 24 -0.129 4.428 -1.270 185 HB2 LEU 24 2HB LEU 24 -1.536 6.466 0.410 186 HB3 LEU 24 1HB LEU 24 -1.338 4.834 1.049 187 HG LEU 24 HG LEU 24 1.025 6.245 -0.165 188 HD11 LEU 24 1HD1 LEU 24 0.020 7.824 1.484 189 HD12 LEU 24 2HD1 LEU 24 1.580 7.204 2.019 190 HD13 LEU 24 3HD1 LEU 24 0.094 6.557 2.707 191 HD21 LEU 24 3HD2 LEU 24 0.705 3.740 0.793 192 HD22 LEU 24 1HD2 LEU 24 1.132 4.565 2.292 193 HD23 LEU 24 2HD2 LEU 24 2.232 4.614 0.916 194 H VAL 25 H VAL 25 -3.363 5.638 -1.712 195 HA VAL 25 HA VAL 25 -4.760 3.330 -0.817 196 HB VAL 25 HB VAL 25 -5.536 5.541 -2.726 197 HG11 VAL 25 1HG1 VAL 25 -7.110 4.036 -3.416 198 HG12 VAL 25 2HG1 VAL 25 -7.888 4.462 -1.891 199 HG13 VAL 25 3HG1 VAL 25 -6.896 3.007 -1.998 200 HG21 VAL 25 3HG2 VAL 25 -6.973 5.212 -0.195 201 HG22 VAL 25 1HG2 VAL 25 -6.205 6.652 -0.867 202 HG23 VAL 25 2HG2 VAL 25 -5.247 5.483 0.041 203 H LEU 26 H LEU 26 -3.866 4.443 -4.085 204 HA LEU 26 HA LEU 26 -4.859 2.258 -5.520 205 HB2 LEU 26 2HB LEU 26 -2.748 4.311 -5.991 206 HB3 LEU 26 1HB LEU 26 -2.782 2.909 -7.059 207 HG LEU 26 HG LEU 26 -5.322 4.404 -6.454 208 HD11 LEU 26 1HD1 LEU 26 -3.093 5.204 -8.315 209 HD12 LEU 26 2HD1 LEU 26 -4.030 6.215 -7.217 210 HD13 LEU 26 3HD1 LEU 26 -4.766 5.606 -8.699 211 HD21 LEU 26 3HD2 LEU 26 -6.172 3.186 -8.188 212 HD22 LEU 26 1HD2 LEU 26 -4.808 2.116 -7.861 213 HD23 LEU 26 2HD2 LEU 26 -4.695 3.325 -9.139 214 H ILE 27 H ILE 27 -1.585 2.782 -4.209 215 HA ILE 27 HA ILE 27 -0.509 0.303 -5.019 216 HB ILE 27 HB ILE 27 0.226 2.085 -2.685 217 HG12 ILE 27 2HG1 ILE 27 1.615 1.770 -5.353 218 HG13 ILE 27 1HG1 ILE 27 0.346 2.968 -5.096 219 HG21 ILE 27 1HG2 ILE 27 1.156 -0.064 -2.224 220 HG22 ILE 27 2HG2 ILE 27 2.459 0.864 -2.965 221 HG23 ILE 27 3HG2 ILE 27 1.574 -0.326 -3.918 222 HD11 ILE 27 3HD1 ILE 27 2.881 2.741 -3.448 223 HD12 ILE 27 1HD1 ILE 27 1.625 3.964 -3.257 224 HD13 ILE 27 2HD1 ILE 27 2.606 3.928 -4.723 225 H SER 28 H SER 28 -1.824 1.318 -1.854 226 HA SER 28 HA SER 28 -1.583 -1.086 -0.495 227 HB2 SER 28 2HB SER 28 -3.472 -0.309 0.892 228 HB3 SER 28 1HB SER 28 -2.312 0.983 0.587 229 HG SER 28 HG SER 28 -4.901 0.602 -0.399 230 H LEU 29 H LEU 29 -4.222 -0.014 -2.604 231 HA LEU 29 HA LEU 29 -5.895 -2.257 -2.263 232 HB2 LEU 29 2HB LEU 29 -5.699 0.018 -4.104 233 HB3 LEU 29 1HB LEU 29 -6.365 -1.434 -4.852 234 HG LEU 29 HG LEU 29 -8.072 -1.608 -3.142 235 HD11 LEU 29 1HD1 LEU 29 -7.966 0.682 -1.609 236 HD12 LEU 29 2HD1 LEU 29 -6.262 0.242 -1.736 237 HD13 LEU 29 3HD1 LEU 29 -7.425 -0.910 -1.079 238 HD21 LEU 29 3HD2 LEU 29 -8.633 -0.103 -4.960 239 HD22 LEU 29 1HD2 LEU 29 -7.745 1.217 -4.197 240 HD23 LEU 29 2HD2 LEU 29 -9.226 0.608 -3.458 241 H LEU 30 H LEU 30 -3.414 -1.568 -4.715 242 HA LEU 30 HA LEU 30 -3.697 -3.919 -6.210 243 HB2 LEU 30 2HB LEU 30 -2.261 -1.802 -6.665 244 HB3 LEU 30 1HB LEU 30 -1.017 -2.643 -5.740 245 HG LEU 30 HG LEU 30 -1.787 -4.651 -7.375 246 HD11 LEU 30 1HD1 LEU 30 -2.119 -2.103 -8.990 247 HD12 LEU 30 2HD1 LEU 30 -3.425 -3.202 -8.545 248 HD13 LEU 30 3HD1 LEU 30 -2.147 -3.745 -9.634 249 HD21 LEU 30 3HD2 LEU 30 0.514 -3.896 -7.076 250 HD22 LEU 30 1HD2 LEU 30 0.185 -2.428 -7.997 251 HD23 LEU 30 2HD2 LEU 30 0.166 -3.996 -8.802 252 H LEU 31 H LEU 31 -1.741 -3.233 -3.333 253 HA LEU 31 HA LEU 31 -0.371 -5.686 -3.229 254 HB2 LEU 31 2HB LEU 31 -0.496 -3.355 -1.674 255 HB3 LEU 31 1HB LEU 31 -1.008 -4.648 -0.592 256 HG LEU 31 HG LEU 31 1.424 -4.375 -0.490 257 HD11 LEU 31 1HD1 LEU 31 1.413 -6.864 -2.025 258 HD12 LEU 31 2HD1 LEU 31 0.041 -6.753 -0.921 259 HD13 LEU 31 3HD1 LEU 31 1.687 -6.613 -0.301 260 HD21 LEU 31 3HD2 LEU 31 2.673 -3.973 -2.333 261 HD22 LEU 31 1HD2 LEU 31 1.164 -3.884 -3.243 262 HD23 LEU 31 2HD2 LEU 31 2.038 -5.409 -3.136 263 H THR 32 H THR 32 -3.450 -4.683 -1.793 264 HA THR 32 HA THR 32 -3.983 -7.035 -0.363 265 HB THR 32 HB THR 32 -5.677 -4.859 -1.530 266 HG1 THR 32 1HG THR 32 -5.421 -4.230 0.434 267 HG21 THR 32 3HG2 THR 32 -7.610 -6.098 -0.308 268 HG22 THR 32 1HG2 THR 32 -6.619 -7.540 -0.526 269 HG23 THR 32 2HG2 THR 32 -7.171 -6.626 -1.930 270 H VAL 33 H VAL 33 -4.839 -6.132 -3.699 271 HA VAL 33 HA VAL 33 -6.248 -8.493 -4.326 272 HB VAL 33 HB VAL 33 -4.708 -6.598 -6.114 273 HG11 VAL 33 1HG1 VAL 33 -4.976 -8.584 -7.380 274 HG12 VAL 33 2HG1 VAL 33 -6.350 -7.582 -7.843 275 HG13 VAL 33 3HG1 VAL 33 -6.569 -8.904 -6.695 276 HG21 VAL 33 3HG2 VAL 33 -6.522 -5.497 -4.923 277 HG22 VAL 33 1HG2 VAL 33 -7.629 -6.811 -5.321 278 HG23 VAL 33 2HG2 VAL 33 -7.023 -5.752 -6.596 279 H LEU 34 H LEU 34 -2.834 -7.600 -4.851 280 HA LEU 34 HA LEU 34 -2.034 -9.957 -6.150 281 HB2 LEU 34 2HB LEU 34 -0.578 -8.006 -4.386 282 HB3 LEU 34 1HB LEU 34 0.254 -9.338 -5.189 283 HG LEU 34 HG LEU 34 -1.517 -7.458 -6.754 284 HD11 LEU 34 1HD1 LEU 34 0.742 -6.319 -7.343 285 HD12 LEU 34 2HD1 LEU 34 1.319 -7.019 -5.832 286 HD13 LEU 34 3HD1 LEU 34 -0.032 -5.887 -5.819 287 HD21 LEU 34 3HD2 LEU 34 -0.737 -8.605 -8.541 288 HD22 LEU 34 1HD2 LEU 34 -0.072 -9.774 -7.401 289 HD23 LEU 34 2HD2 LEU 34 0.931 -8.452 -7.995 290 H ALA 35 H ALA 35 -1.754 -9.093 -2.695 291 HA ALA 35 HA ALA 35 -0.723 -11.539 -1.798 292 HB1 ALA 35 1HB ALA 35 -1.127 -9.246 -0.561 293 HB2 ALA 35 2HB ALA 35 -1.116 -10.757 0.347 294 HB3 ALA 35 3HB ALA 35 -2.650 -10.004 -0.095 295 H LEU 36 H LEU 36 -3.981 -10.544 -2.563 296 HA LEU 36 HA LEU 36 -5.315 -12.746 -1.312 297 HB2 LEU 36 2HB LEU 36 -6.435 -10.613 -1.964 298 HB3 LEU 36 1HB LEU 36 -6.262 -11.083 -3.654 299 HG LEU 36 HG LEU 36 -7.385 -13.302 -2.252 300 HD11 LEU 36 1HD1 LEU 36 -8.050 -11.569 -0.564 301 HD12 LEU 36 2HD1 LEU 36 -9.427 -12.341 -1.351 302 HD13 LEU 36 3HD1 LEU 36 -8.925 -10.723 -1.839 303 HD21 LEU 36 3HD2 LEU 36 -8.500 -11.309 -4.254 304 HD22 LEU 36 1HD2 LEU 36 -9.306 -12.811 -3.801 305 HD23 LEU 36 2HD2 LEU 36 -7.743 -12.860 -4.614 306 H LEU 37 H LEU 37 -4.385 -12.105 -4.688 307 HA LEU 37 HA LEU 37 -5.295 -14.585 -5.708 308 HB2 LEU 37 2HB LEU 37 -4.084 -12.241 -6.734 309 HB3 LEU 37 1HB LEU 37 -3.064 -13.594 -7.222 310 HG LEU 37 HG LEU 37 -6.068 -13.440 -7.615 311 HD11 LEU 37 1HD1 LEU 37 -5.668 -12.441 -9.594 312 HD12 LEU 37 2HD1 LEU 37 -4.455 -13.652 -10.013 313 HD13 LEU 37 3HD1 LEU 37 -3.994 -12.226 -9.081 314 HD21 LEU 37 3HD2 LEU 37 -5.877 -15.688 -7.794 315 HD22 LEU 37 1HD2 LEU 37 -4.115 -15.611 -7.752 316 HD23 LEU 37 2HD2 LEU 37 -4.972 -15.393 -9.278 317 H SER 38 H SER 38 -2.208 -13.517 -4.374 318 HA SER 38 HA SER 38 -0.672 -15.775 -5.086 319 HB2 SER 38 2HB SER 38 -0.258 -13.399 -3.657 320 HB3 SER 38 1HB SER 38 0.095 -14.692 -2.515 321 HG SER 38 HG SER 38 1.414 -13.921 -4.805 322 H HIS 39 H HIS 39 -2.588 -15.056 -2.178 323 HA HIS 39 HA HIS 39 -1.954 -17.358 -0.711 324 HB2 HIS 39 2HB HIS 39 -4.160 -15.369 -0.707 325 HB3 HIS 39 1HB HIS 39 -4.473 -16.903 0.106 326 HD2 HIS 39 2HD HIS 39 -1.160 -14.671 0.182 327 HE1 HIS 39 1HE HIS 39 -2.336 -15.574 4.135 328 HE2 HIS 39 2HE HIS 39 -0.573 -14.422 2.714 329 H ARG 40 H ARG 40 -4.515 -16.769 -3.098 330 HA ARG 40 HA ARG 40 -5.730 -19.328 -2.850 331 HB2 ARG 40 2HB ARG 40 -6.778 -17.264 -3.870 332 HB3 ARG 40 1HB ARG 40 -5.772 -17.548 -5.290 333 HG2 ARG 40 2HG ARG 40 -7.385 -18.939 -6.031 334 HG3 ARG 40 1HG ARG 40 -6.917 -20.042 -4.737 335 HD2 ARG 40 2HD ARG 40 -9.266 -19.670 -4.480 336 HD3 ARG 40 1HD ARG 40 -8.477 -18.731 -3.215 337 HE ARG 40 HE ARG 40 -9.321 -16.825 -4.218 338 HH11 ARG 40 1HH2 ARG 40 -9.218 -19.444 -6.478 339 HH12 ARG 40 2HH2 ARG 40 -10.006 -18.564 -7.744 340 HH21 ARG 40 1HH1 ARG 40 -10.358 -15.665 -5.873 341 HH22 ARG 40 2HH1 ARG 40 -10.653 -16.425 -7.401 342 H ARG 41 H ARG 41 -3.141 -18.040 -4.863 343 HA ARG 41 HA ARG 41 -2.933 -20.242 -6.637 344 HB2 ARG 41 2HB ARG 41 -1.921 -18.048 -7.109 345 HB3 ARG 41 1HB ARG 41 -0.804 -18.274 -5.763 346 HG2 ARG 41 2HG ARG 41 0.350 -20.011 -6.843 347 HG3 ARG 41 1HG ARG 41 -0.987 -20.338 -7.947 348 HD2 ARG 41 2HD ARG 41 1.120 -19.028 -8.815 349 HD3 ARG 41 1HD ARG 41 -0.491 -18.515 -9.307 350 HE ARG 41 HE ARG 41 -0.055 -17.057 -7.057 351 HH11 ARG 41 1HH2 ARG 41 1.767 -17.669 -9.934 352 HH12 ARG 41 2HH2 ARG 41 2.561 -16.129 -9.924 353 HH21 ARG 41 1HH1 ARG 41 0.981 -15.035 -7.038 354 HH22 ARG 41 2HH1 ARG 41 2.116 -14.638 -8.285 355 H THR 42 H THR 42 -1.235 -19.438 -3.616 356 HA THR 42 HA THR 42 0.492 -21.663 -3.582 357 HB THR 42 HB THR 42 0.502 -21.229 -1.064 358 HG1 THR 42 1HG THR 42 -1.709 -20.213 -1.375 359 HG21 THR 42 3HG2 THR 42 1.252 -18.676 -1.685 360 HG22 THR 42 1HG2 THR 42 1.294 -19.440 -3.274 361 HG23 THR 42 2HG2 THR 42 2.262 -20.097 -1.954 362 H LEU 43 H LEU 43 -2.719 -21.180 -2.127 363 HA LEU 43 HA LEU 43 -2.940 -23.658 -0.847 364 HB2 LEU 43 2HB LEU 43 -4.788 -21.537 -1.736 365 HB3 LEU 43 1HB LEU 43 -5.516 -23.136 -1.578 366 HG LEU 43 HG LEU 43 -3.766 -21.965 0.586 367 HD11 LEU 43 1HD1 LEU 43 -5.674 -20.429 0.133 368 HD12 LEU 43 2HD1 LEU 43 -5.802 -21.207 1.711 369 HD13 LEU 43 3HD1 LEU 43 -6.786 -21.778 0.364 370 HD21 LEU 43 3HD2 LEU 43 -6.001 -23.733 1.279 371 HD22 LEU 43 1HD2 LEU 43 -4.302 -23.846 1.734 372 HD23 LEU 43 2HD2 LEU 43 -4.845 -24.497 0.188 373 H GLN 44 H GLN 44 -3.849 -22.694 -4.144 374 HA GLN 44 HA GLN 44 -4.969 -25.161 -4.930 375 HB2 GLN 44 2HB GLN 44 -4.085 -22.683 -6.233 376 HB3 GLN 44 1HB GLN 44 -3.921 -24.116 -7.248 377 HG2 GLN 44 2HG GLN 44 -6.452 -23.487 -5.716 378 HG3 GLN 44 1HG GLN 44 -6.179 -22.930 -7.365 379 HE21 GLN 44 1HE2 GLN 44 -4.723 -25.354 -8.225 380 HE22 GLN 44 2HE2 GLN 44 -5.876 -26.597 -8.315 381 H GLN 45 H GLN 45 -1.658 -23.918 -5.037 382 HA GLN 45 HA GLN 45 -0.527 -26.038 -6.527 383 HB2 GLN 45 2HB GLN 45 0.395 -23.659 -5.522 384 HB3 GLN 45 1HB GLN 45 1.212 -24.833 -4.487 385 HG2 GLN 45 2HG GLN 45 1.959 -26.054 -6.533 386 HG3 GLN 45 1HG GLN 45 1.238 -24.782 -7.517 387 HE21 GLN 45 1HE2 GLN 45 2.266 -22.649 -7.485 388 HE22 GLN 45 2HE2 GLN 45 3.839 -22.445 -6.878 389 H LYS 46 H LYS 46 -1.036 -25.564 -3.058 390 HA LYS 46 HA LYS 46 0.396 -27.838 -2.173 391 HB2 LYS 46 2HB LYS 46 -1.680 -26.035 -1.022 392 HB3 LYS 46 1HB LYS 46 -1.400 -27.581 -0.222 393 HG2 LYS 46 2HG LYS 46 1.000 -27.073 -0.043 394 HG3 LYS 46 1HG LYS 46 0.747 -25.540 -0.877 395 HD2 LYS 46 2HD LYS 46 0.635 -24.794 1.305 396 HD3 LYS 46 1HD LYS 46 -1.062 -25.215 1.067 397 HE2 LYS 46 2HE LYS 46 -0.401 -26.227 3.137 398 HE3 LYS 46 1HE LYS 46 -0.486 -27.531 1.952 399 HZ1 LYS 46 3HZ LYS 46 2.073 -26.190 2.134 400 HZ2 LYS 46 1HZ LYS 46 1.718 -27.845 2.009 401 HZ3 LYS 46 2HZ LYS 46 1.626 -27.068 3.518 402 H ILE 47 H ILE 47 -2.989 -27.361 -3.105 403 HA ILE 47 HA ILE 47 -3.772 -30.050 -2.462 404 HB ILE 47 HB ILE 47 -5.112 -27.918 -4.142 405 HG12 ILE 47 2HG1 ILE 47 -5.883 -28.897 -1.391 406 HG13 ILE 47 1HG1 ILE 47 -4.711 -27.595 -1.604 407 HG21 ILE 47 1HG2 ILE 47 -6.294 -29.733 -4.883 408 HG22 ILE 47 2HG2 ILE 47 -7.096 -29.580 -3.320 409 HG23 ILE 47 3HG2 ILE 47 -5.785 -30.742 -3.528 410 HD11 ILE 47 3HD1 ILE 47 -7.210 -27.338 -3.179 411 HD12 ILE 47 1HD1 ILE 47 -6.295 -26.107 -2.310 412 HD13 ILE 47 2HD1 ILE 47 -7.390 -27.176 -1.432 413 H TRP 48 H TRP 48 -2.640 -28.369 -5.334 414 HA TRP 48 HA TRP 48 -2.424 -30.970 -6.701 415 HB2 TRP 48 2HB TRP 48 -4.421 -29.819 -7.576 416 HB3 TRP 48 1HB TRP 48 -3.430 -28.417 -7.979 417 HD1 TRP 48 HD TRP 48 -2.356 -28.416 -10.286 418 HE1 TRP 48 1HE TRP 48 -1.958 -30.172 -12.131 419 HE3 TRP 48 3HE TRP 48 -3.947 -32.619 -7.860 420 HZ2 TRP 48 2HZ TRP 48 -2.272 -32.989 -12.524 421 HZ3 TRP 48 3HZ TRP 48 -3.887 -34.822 -8.991 422 HH2 TRP 48 HH TRP 48 -3.052 -35.013 -11.318 423 HA PRO 49 HA PRO 49 1.454 -28.422 -6.938 424 HB2 PRO 49 2HB PRO 49 3.098 -30.186 -5.655 425 HB3 PRO 49 1HB PRO 49 2.158 -28.942 -4.813 426 HG2 PRO 49 2HG PRO 49 1.696 -31.852 -5.008 427 HG3 PRO 49 1HG PRO 49 1.281 -30.721 -3.710 428 HD2 PRO 49 2HD PRO 49 -0.502 -31.733 -5.633 429 HD3 PRO 49 1HD PRO 49 -0.799 -30.337 -4.576 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -17.512 9.242 12.598 2 H2 MET 1 2HT MET 1 -18.997 8.539 13.033 3 H3 MET 1 3HT MET 1 -18.319 8.224 11.507 4 HA MET 1 HA MET 1 -17.762 7.012 14.066 5 HB2 MET 1 2HB MET 1 -18.682 5.881 12.006 6 HB3 MET 1 1HB MET 1 -17.119 6.148 11.233 7 HG2 MET 1 2HG MET 1 -16.603 4.111 12.114 8 HG3 MET 1 1HG MET 1 -16.339 5.022 13.600 9 HE1 MET 1 2HE MET 1 -18.256 1.503 14.141 10 HE2 MET 1 3HE MET 1 -16.668 2.231 13.903 11 HE3 MET 1 1HE MET 1 -17.695 1.864 12.510 12 H SER 2 H SER 2 -15.725 7.377 11.165 13 HA SER 2 HA SER 2 -13.561 8.528 12.741 14 HB2 SER 2 2HB SER 2 -12.142 6.748 12.744 15 HB3 SER 2 1HB SER 2 -13.639 5.824 12.663 16 HG SER 2 HG SER 2 -13.222 6.382 10.222 17 H GLU 3 H GLU 3 -15.363 8.697 10.145 18 HA GLU 3 HA GLU 3 -13.258 9.956 8.549 19 HB2 GLU 3 2HB GLU 3 -13.593 7.513 7.819 20 HB3 GLU 3 1HB GLU 3 -15.158 8.047 7.204 21 HG2 GLU 3 2HG GLU 3 -13.670 9.982 6.130 22 HG3 GLU 3 1HG GLU 3 -12.409 8.756 6.267 23 HA PRO 4 HA PRO 4 -17.415 12.100 8.613 24 HB2 PRO 4 2HB PRO 4 -16.607 14.381 9.883 25 HB3 PRO 4 1HB PRO 4 -17.189 12.943 10.743 26 HG2 PRO 4 2HG PRO 4 -14.418 13.918 10.344 27 HG3 PRO 4 1HG PRO 4 -15.140 13.092 11.733 28 HD2 PRO 4 2HD PRO 4 -13.531 11.862 9.841 29 HD3 PRO 4 1HD PRO 4 -14.688 11.008 10.884 30 H ALA 5 H ALA 5 -18.040 13.773 7.210 31 HA ALA 5 HA ALA 5 -16.491 14.294 4.973 32 HB1 ALA 5 1HB ALA 5 -18.905 14.649 4.995 33 HB2 ALA 5 2HB ALA 5 -18.087 16.130 4.497 34 HB3 ALA 5 3HB ALA 5 -18.717 15.981 6.138 35 H SER 6 H SER 6 -15.982 15.441 8.053 36 HA SER 6 HA SER 6 -15.143 18.090 7.679 37 HB2 SER 6 2HB SER 6 -15.398 16.676 9.863 38 HB3 SER 6 1HB SER 6 -13.715 16.246 9.570 39 HG SER 6 HG SER 6 -14.029 18.869 9.192 40 H LEU 7 H LEU 7 -13.514 15.029 7.090 41 HA LEU 7 HA LEU 7 -10.916 16.114 6.673 42 HB2 LEU 7 2HB LEU 7 -11.955 13.579 6.884 43 HB3 LEU 7 1HB LEU 7 -11.567 13.677 5.167 44 HG LEU 7 HG LEU 7 -9.662 14.303 7.446 45 HD11 LEU 7 1HD1 LEU 7 -8.529 12.264 6.084 46 HD12 LEU 7 2HD1 LEU 7 -10.231 11.875 5.828 47 HD13 LEU 7 3HD1 LEU 7 -9.596 12.015 7.468 48 HD21 LEU 7 3HD2 LEU 7 -8.743 15.592 5.789 49 HD22 LEU 7 1HD2 LEU 7 -9.582 14.721 4.504 50 HD23 LEU 7 2HD2 LEU 7 -8.126 14.039 5.225 51 H LEU 8 H LEU 8 -13.544 15.198 4.459 52 HA LEU 8 HA LEU 8 -12.278 15.735 2.050 53 HB2 LEU 8 2HB LEU 8 -15.141 15.846 2.941 54 HB3 LEU 8 1HB LEU 8 -14.706 16.328 1.304 55 HG LEU 8 HG LEU 8 -15.347 13.906 1.517 56 HD11 LEU 8 1HD1 LEU 8 -12.483 13.738 0.803 57 HD12 LEU 8 2HD1 LEU 8 -13.370 15.019 -0.022 58 HD13 LEU 8 3HD1 LEU 8 -13.907 13.344 -0.161 59 HD21 LEU 8 3HD2 LEU 8 -14.265 13.695 3.813 60 HD22 LEU 8 1HD2 LEU 8 -12.714 13.602 2.973 61 HD23 LEU 8 2HD2 LEU 8 -13.945 12.371 2.696 62 H THR 9 H THR 9 -13.786 17.907 4.333 63 HA THR 9 HA THR 9 -13.617 20.205 2.612 64 HB THR 9 HB THR 9 -14.224 21.464 4.682 65 HG1 THR 9 1HG THR 9 -14.220 18.860 5.802 66 HG21 THR 9 3HG2 THR 9 -16.299 19.617 5.006 67 HG22 THR 9 1HG2 THR 9 -15.739 19.367 3.352 68 HG23 THR 9 2HG2 THR 9 -16.268 20.968 3.872 69 H ALA 10 H ALA 10 -11.774 18.940 5.320 70 HA ALA 10 HA ALA 10 -9.942 21.099 5.491 71 HB1 ALA 10 1HB ALA 10 -9.133 18.324 6.262 72 HB2 ALA 10 2HB ALA 10 -10.434 19.112 7.155 73 HB3 ALA 10 3HB ALA 10 -8.833 19.850 7.096 74 H SER 11 H SER 11 -10.350 18.708 3.191 75 HA SER 11 HA SER 11 -7.602 18.395 2.406 76 HB2 SER 11 2HB SER 11 -8.408 16.726 1.142 77 HB3 SER 11 1HB SER 11 -9.988 17.069 1.841 78 HG SER 11 HG SER 11 -10.528 17.629 -0.103 79 H ASP 12 H ASP 12 -9.721 20.909 2.154 80 HA ASP 12 HA ASP 12 -8.807 21.830 -0.458 81 HB2 ASP 12 2HB ASP 12 -11.165 22.174 0.118 82 HB3 ASP 12 1HB ASP 12 -10.690 23.098 1.544 83 H LEU 13 H LEU 13 -7.761 21.959 2.709 84 HA LEU 13 HA LEU 13 -6.524 24.607 2.460 85 HB2 LEU 13 2HB LEU 13 -6.018 22.774 4.767 86 HB3 LEU 13 1HB LEU 13 -6.163 24.532 4.745 87 HG LEU 13 HG LEU 13 -8.412 22.528 4.412 88 HD11 LEU 13 1HD1 LEU 13 -7.224 23.604 6.707 89 HD12 LEU 13 2HD1 LEU 13 -8.808 22.832 6.615 90 HD13 LEU 13 3HD1 LEU 13 -8.670 24.584 6.461 91 HD21 LEU 13 3HD2 LEU 13 -9.663 24.898 4.645 92 HD22 LEU 13 1HD2 LEU 13 -9.202 24.236 3.078 93 HD23 LEU 13 2HD2 LEU 13 -8.189 25.453 3.854 94 H ASP 14 H ASP 14 -5.794 21.283 2.026 95 HA ASP 14 HA ASP 14 -3.130 21.938 1.102 96 HB2 ASP 14 2HB ASP 14 -2.720 21.729 3.510 97 HB3 ASP 14 1HB ASP 14 -3.460 20.130 3.504 98 HA PRO 15 HA PRO 15 -5.327 18.508 -1.138 99 HB2 PRO 15 2HB PRO 15 -3.655 19.668 -3.310 100 HB3 PRO 15 1HB PRO 15 -5.379 19.246 -3.316 101 HG2 PRO 15 2HG PRO 15 -4.578 21.779 -3.228 102 HG3 PRO 15 1HG PRO 15 -6.003 21.227 -2.328 103 HD2 PRO 15 2HD PRO 15 -3.255 21.847 -1.305 104 HD3 PRO 15 1HD PRO 15 -4.835 22.141 -0.545 105 H LEU 16 H LEU 16 -2.114 19.294 -0.360 106 HA LEU 16 HA LEU 16 -0.645 17.364 -1.781 107 HB2 LEU 16 2HB LEU 16 0.180 19.321 -0.291 108 HB3 LEU 16 1HB LEU 16 0.038 18.168 1.037 109 HG LEU 16 HG LEU 16 1.352 16.635 -0.771 110 HD11 LEU 16 1HD1 LEU 16 1.400 18.686 -2.304 111 HD12 LEU 16 2HD1 LEU 16 2.956 17.912 -1.997 112 HD13 LEU 16 3HD1 LEU 16 2.527 19.398 -1.149 113 HD21 LEU 16 3HD2 LEU 16 3.474 17.544 0.444 114 HD22 LEU 16 1HD2 LEU 16 2.207 16.799 1.419 115 HD23 LEU 16 2HD2 LEU 16 2.337 18.555 1.335 116 H ILE 17 H ILE 17 -2.624 17.135 1.097 117 HA ILE 17 HA ILE 17 -1.689 14.544 1.895 118 HB ILE 17 HB ILE 17 -4.372 15.737 2.584 119 HG12 ILE 17 2HG1 ILE 17 -2.821 17.531 2.973 120 HG13 ILE 17 1HG1 ILE 17 -3.108 16.774 4.539 121 HG21 ILE 17 1HG2 ILE 17 -3.348 13.344 3.245 122 HG22 ILE 17 2HG2 ILE 17 -4.351 14.272 4.358 123 HG23 ILE 17 3HG2 ILE 17 -2.594 14.316 4.510 124 HD11 ILE 17 3HD1 ILE 17 -0.695 16.496 2.742 125 HD12 ILE 17 1HD1 ILE 17 -1.037 15.328 4.019 126 HD13 ILE 17 2HD1 ILE 17 -0.752 17.021 4.425 127 H LEU 18 H LEU 18 -4.355 15.756 -0.074 128 HA LEU 18 HA LEU 18 -5.728 13.307 -0.380 129 HB2 LEU 18 2HB LEU 18 -5.926 15.970 -1.395 130 HB3 LEU 18 1HB LEU 18 -5.983 14.859 -2.763 131 HG LEU 18 HG LEU 18 -7.706 14.660 -0.273 132 HD11 LEU 18 1HD1 LEU 18 -9.247 15.931 -1.325 133 HD12 LEU 18 2HD1 LEU 18 -9.047 15.041 -2.834 134 HD13 LEU 18 3HD1 LEU 18 -7.970 16.385 -2.454 135 HD21 LEU 18 3HD2 LEU 18 -7.096 12.826 -2.479 136 HD22 LEU 18 1HD2 LEU 18 -8.824 13.138 -2.312 137 HD23 LEU 18 2HD2 LEU 18 -7.906 12.506 -0.945 138 H THR 19 H THR 19 -3.018 14.743 -2.104 139 HA THR 19 HA THR 19 -2.962 12.865 -4.242 140 HB THR 19 HB THR 19 -0.557 14.333 -3.167 141 HG1 THR 19 1HG THR 19 -2.780 15.276 -4.628 142 HG21 THR 19 3HG2 THR 19 0.249 14.176 -5.373 143 HG22 THR 19 1HG2 THR 19 -1.356 13.858 -6.033 144 HG23 THR 19 2HG2 THR 19 -0.518 12.611 -5.107 145 H LEU 20 H LEU 20 -1.130 13.099 -1.191 146 HA LEU 20 HA LEU 20 0.373 10.734 -1.563 147 HB2 LEU 20 2HB LEU 20 -0.358 12.407 0.821 148 HB3 LEU 20 1HB LEU 20 0.483 10.872 1.037 149 HG LEU 20 HG LEU 20 1.528 12.791 -1.009 150 HD11 LEU 20 1HD1 LEU 20 1.755 13.073 1.991 151 HD12 LEU 20 2HD1 LEU 20 1.327 14.309 0.808 152 HD13 LEU 20 3HD1 LEU 20 2.986 13.717 0.904 153 HD21 LEU 20 3HD2 LEU 20 3.510 11.611 -0.714 154 HD22 LEU 20 1HD2 LEU 20 2.332 10.352 -0.340 155 HD23 LEU 20 2HD2 LEU 20 3.143 11.214 0.966 156 H SER 21 H SER 21 -2.790 11.359 -0.141 157 HA SER 21 HA SER 21 -3.169 8.781 0.991 158 HB2 SER 21 2HB SER 21 -5.012 11.026 0.221 159 HB3 SER 21 1HB SER 21 -5.658 9.480 0.763 160 HG SER 21 HG SER 21 -3.591 10.509 2.279 161 H LEU 22 H LEU 22 -4.331 10.239 -2.052 162 HA LEU 22 HA LEU 22 -5.666 8.000 -3.053 163 HB2 LEU 22 2HB LEU 22 -4.658 10.522 -4.108 164 HB3 LEU 22 1HB LEU 22 -4.557 9.222 -5.294 165 HG LEU 22 HG LEU 22 -7.063 9.742 -3.681 166 HD11 LEU 22 1HD1 LEU 22 -7.915 10.949 -5.661 167 HD12 LEU 22 2HD1 LEU 22 -6.335 10.800 -6.430 168 HD13 LEU 22 3HD1 LEU 22 -6.516 11.771 -4.968 169 HD21 LEU 22 3HD2 LEU 22 -7.169 8.619 -6.408 170 HD22 LEU 22 1HD2 LEU 22 -7.976 8.074 -4.937 171 HD23 LEU 22 2HD2 LEU 22 -6.305 7.609 -5.253 172 H ILE 23 H ILE 23 -2.241 8.808 -3.088 173 HA ILE 23 HA ILE 23 -1.436 6.821 -4.938 174 HB ILE 23 HB ILE 23 -0.038 8.407 -2.806 175 HG12 ILE 23 2HG1 ILE 23 -0.708 9.138 -5.258 176 HG13 ILE 23 1HG1 ILE 23 0.861 9.585 -4.596 177 HG21 ILE 23 1HG2 ILE 23 1.168 6.393 -2.616 178 HG22 ILE 23 2HG2 ILE 23 2.089 7.312 -3.807 179 HG23 ILE 23 3HG2 ILE 23 1.002 6.027 -4.333 180 HD11 ILE 23 3HD1 ILE 23 0.796 8.536 -6.971 181 HD12 ILE 23 1HD1 ILE 23 0.523 7.011 -6.133 182 HD13 ILE 23 2HD1 ILE 23 1.995 7.929 -5.830 183 H LEU 24 H LEU 24 -1.039 6.855 -1.384 184 HA LEU 24 HA LEU 24 -0.260 4.186 -1.122 185 HB2 LEU 24 2HB LEU 24 0.001 5.773 0.697 186 HB3 LEU 24 1HB LEU 24 -1.745 5.980 0.814 187 HG LEU 24 HG LEU 24 -0.854 3.174 0.966 188 HD11 LEU 24 1HD1 LEU 24 1.000 4.290 2.183 189 HD12 LEU 24 2HD1 LEU 24 -0.021 3.350 3.269 190 HD13 LEU 24 3HD1 LEU 24 -0.182 5.104 3.209 191 HD21 LEU 24 3HD2 LEU 24 -3.178 4.270 1.426 192 HD22 LEU 24 1HD2 LEU 24 -2.480 4.724 2.979 193 HD23 LEU 24 2HD2 LEU 24 -2.610 3.022 2.534 194 H VAL 25 H VAL 25 -3.395 5.616 -1.565 195 HA VAL 25 HA VAL 25 -4.921 3.347 -0.705 196 HB VAL 25 HB VAL 25 -5.589 5.765 -2.385 197 HG11 VAL 25 1HG1 VAL 25 -8.002 4.912 -1.913 198 HG12 VAL 25 2HG1 VAL 25 -7.235 3.339 -1.684 199 HG13 VAL 25 3HG1 VAL 25 -7.098 4.172 -3.235 200 HG21 VAL 25 3HG2 VAL 25 -6.454 6.648 -0.436 201 HG22 VAL 25 1HG2 VAL 25 -5.211 5.615 0.269 202 HG23 VAL 25 2HG2 VAL 25 -6.887 5.067 0.211 203 H LEU 26 H LEU 26 -4.112 4.646 -3.942 204 HA LEU 26 HA LEU 26 -5.258 2.543 -5.401 205 HB2 LEU 26 2HB LEU 26 -3.427 4.778 -5.911 206 HB3 LEU 26 1HB LEU 26 -3.159 3.394 -6.966 207 HG LEU 26 HG LEU 26 -4.825 5.027 -7.865 208 HD11 LEU 26 1HD1 LEU 26 -5.002 2.206 -7.722 209 HD12 LEU 26 2HD1 LEU 26 -5.732 3.257 -8.933 210 HD13 LEU 26 3HD1 LEU 26 -6.641 2.811 -7.491 211 HD21 LEU 26 3HD2 LEU 26 -6.908 4.079 -5.991 212 HD22 LEU 26 1HD2 LEU 26 -6.672 5.676 -6.698 213 HD23 LEU 26 2HD2 LEU 26 -5.718 5.184 -5.297 214 H ILE 27 H ILE 27 -1.982 2.987 -4.133 215 HA ILE 27 HA ILE 27 -0.908 0.627 -5.285 216 HB ILE 27 HB ILE 27 -0.063 2.305 -2.919 217 HG12 ILE 27 2HG1 ILE 27 0.038 3.027 -5.461 218 HG13 ILE 27 1HG1 ILE 27 1.401 3.348 -4.391 219 HG21 ILE 27 1HG2 ILE 27 0.866 0.207 -2.395 220 HG22 ILE 27 2HG2 ILE 27 2.152 1.005 -3.300 221 HG23 ILE 27 3HG2 ILE 27 1.135 -0.200 -4.089 222 HD11 ILE 27 3HD1 ILE 27 1.263 0.773 -5.959 223 HD12 ILE 27 1HD1 ILE 27 2.673 1.570 -5.265 224 HD13 ILE 27 2HD1 ILE 27 1.892 2.246 -6.694 225 H SER 28 H SER 28 -2.141 1.336 -2.021 226 HA SER 28 HA SER 28 -1.751 -1.179 -0.892 227 HB2 SER 28 2HB SER 28 -2.407 0.559 0.568 228 HB3 SER 28 1HB SER 28 -3.816 0.958 -0.409 229 HG SER 28 HG SER 28 -3.822 -1.639 0.369 230 H LEU 29 H LEU 29 -4.466 0.038 -2.806 231 HA LEU 29 HA LEU 29 -6.182 -2.163 -2.549 232 HB2 LEU 29 2HB LEU 29 -5.956 0.178 -4.261 233 HB3 LEU 29 1HB LEU 29 -6.568 -1.221 -5.143 234 HG LEU 29 HG LEU 29 -8.285 -1.572 -3.408 235 HD11 LEU 29 1HD1 LEU 29 -6.591 0.268 -1.959 236 HD12 LEU 29 2HD1 LEU 29 -7.933 -0.707 -1.359 237 HD13 LEU 29 3HD1 LEU 29 -8.238 0.894 -2.030 238 HD21 LEU 29 3HD2 LEU 29 -9.201 1.009 -3.719 239 HD22 LEU 29 1HD2 LEU 29 -9.389 -0.275 -4.914 240 HD23 LEU 29 2HD2 LEU 29 -8.049 0.865 -5.046 241 H LEU 30 H LEU 30 -3.739 -1.472 -5.052 242 HA LEU 30 HA LEU 30 -4.114 -3.894 -6.479 243 HB2 LEU 30 2HB LEU 30 -2.943 -1.794 -7.301 244 HB3 LEU 30 1HB LEU 30 -1.552 -2.301 -6.341 245 HG LEU 30 HG LEU 30 -2.005 -4.608 -7.630 246 HD11 LEU 30 1HD1 LEU 30 -2.871 -2.491 -9.617 247 HD12 LEU 30 2HD1 LEU 30 -3.979 -3.604 -8.817 248 HD13 LEU 30 3HD1 LEU 30 -2.739 -4.224 -9.907 249 HD21 LEU 30 3HD2 LEU 30 -0.553 -2.177 -8.717 250 HD22 LEU 30 1HD2 LEU 30 -0.327 -3.818 -9.325 251 HD23 LEU 30 2HD2 LEU 30 0.117 -3.425 -7.664 252 H LEU 31 H LEU 31 -2.010 -2.989 -3.784 253 HA LEU 31 HA LEU 31 -0.377 -5.274 -3.768 254 HB2 LEU 31 2HB LEU 31 0.134 -3.270 -2.454 255 HB3 LEU 31 1HB LEU 31 -1.292 -3.550 -1.454 256 HG LEU 31 HG LEU 31 0.372 -5.931 -1.619 257 HD11 LEU 31 1HD1 LEU 31 1.607 -3.349 -0.631 258 HD12 LEU 31 2HD1 LEU 31 2.256 -4.461 -1.836 259 HD13 LEU 31 3HD1 LEU 31 2.185 -4.942 -0.141 260 HD21 LEU 31 3HD2 LEU 31 0.066 -5.878 0.784 261 HD22 LEU 31 1HD2 LEU 31 -1.452 -5.387 0.030 262 HD23 LEU 31 2HD2 LEU 31 -0.385 -4.172 0.731 263 H THR 32 H THR 32 -3.468 -4.596 -2.149 264 HA THR 32 HA THR 32 -3.646 -7.051 -0.755 265 HB THR 32 HB THR 32 -6.176 -5.817 -1.654 266 HG1 THR 32 1HG THR 32 -5.180 -4.258 0.242 267 HG21 THR 32 3HG2 THR 32 -6.670 -5.990 0.734 268 HG22 THR 32 1HG2 THR 32 -4.985 -6.385 1.075 269 HG23 THR 32 2HG2 THR 32 -5.988 -7.510 0.158 270 H VAL 33 H VAL 33 -4.802 -6.019 -3.941 271 HA VAL 33 HA VAL 33 -6.275 -8.302 -4.615 272 HB VAL 33 HB VAL 33 -4.749 -6.307 -6.281 273 HG11 VAL 33 1HG1 VAL 33 -6.215 -7.391 -8.158 274 HG12 VAL 33 2HG1 VAL 33 -6.217 -8.803 -7.100 275 HG13 VAL 33 3HG1 VAL 33 -4.692 -8.162 -7.713 276 HG21 VAL 33 3HG2 VAL 33 -7.686 -6.735 -6.457 277 HG22 VAL 33 1HG2 VAL 33 -6.766 -5.231 -6.470 278 HG23 VAL 33 2HG2 VAL 33 -7.089 -6.054 -4.944 279 H LEU 34 H LEU 34 -2.826 -7.580 -5.083 280 HA LEU 34 HA LEU 34 -2.146 -9.942 -6.466 281 HB2 LEU 34 2HB LEU 34 -0.556 -8.161 -4.630 282 HB3 LEU 34 1HB LEU 34 0.167 -9.461 -5.578 283 HG LEU 34 HG LEU 34 -1.454 -7.180 -6.762 284 HD11 LEU 34 1HD1 LEU 34 1.424 -7.436 -6.092 285 HD12 LEU 34 2HD1 LEU 34 0.432 -5.989 -6.276 286 HD13 LEU 34 3HD1 LEU 34 1.064 -6.811 -7.702 287 HD21 LEU 34 3HD2 LEU 34 -0.229 -9.653 -7.839 288 HD22 LEU 34 1HD2 LEU 34 0.105 -8.193 -8.765 289 HD23 LEU 34 2HD2 LEU 34 -1.561 -8.688 -8.469 290 H ALA 35 H ALA 35 -1.951 -9.176 -2.991 291 HA ALA 35 HA ALA 35 -0.965 -11.641 -2.113 292 HB1 ALA 35 1HB ALA 35 -2.866 -9.773 -0.675 293 HB2 ALA 35 2HB ALA 35 -1.107 -9.648 -0.672 294 HB3 ALA 35 3HB ALA 35 -1.893 -11.037 0.080 295 H LEU 36 H LEU 36 -4.183 -10.621 -2.993 296 HA LEU 36 HA LEU 36 -5.590 -12.838 -1.869 297 HB2 LEU 36 2HB LEU 36 -6.337 -10.488 -3.082 298 HB3 LEU 36 1HB LEU 36 -6.759 -11.686 -4.304 299 HG LEU 36 HG LEU 36 -7.611 -11.759 -1.392 300 HD11 LEU 36 1HD1 LEU 36 -8.640 -10.233 -3.460 301 HD12 LEU 36 2HD1 LEU 36 -9.522 -10.717 -2.010 302 HD13 LEU 36 3HD1 LEU 36 -9.659 -11.673 -3.486 303 HD21 LEU 36 3HD2 LEU 36 -7.739 -13.709 -3.641 304 HD22 LEU 36 1HD2 LEU 36 -9.189 -13.552 -2.651 305 HD23 LEU 36 2HD2 LEU 36 -7.656 -14.001 -1.904 306 H LEU 37 H LEU 37 -4.531 -12.164 -5.208 307 HA LEU 37 HA LEU 37 -5.329 -14.672 -6.259 308 HB2 LEU 37 2HB LEU 37 -3.146 -12.823 -7.251 309 HB3 LEU 37 1HB LEU 37 -3.960 -14.076 -8.188 310 HG LEU 37 HG LEU 37 -5.347 -11.697 -6.920 311 HD11 LEU 37 1HD1 LEU 37 -4.251 -10.668 -8.666 312 HD12 LEU 37 2HD1 LEU 37 -5.655 -11.283 -9.542 313 HD13 LEU 37 3HD1 LEU 37 -4.123 -12.158 -9.603 314 HD21 LEU 37 3HD2 LEU 37 -6.257 -14.062 -8.538 315 HD22 LEU 37 1HD2 LEU 37 -7.107 -12.527 -8.699 316 HD23 LEU 37 2HD2 LEU 37 -7.012 -13.319 -7.128 317 H SER 38 H SER 38 -2.371 -13.533 -4.731 318 HA SER 38 HA SER 38 -0.730 -15.740 -5.392 319 HB2 SER 38 2HB SER 38 -0.546 -14.069 -2.884 320 HB3 SER 38 1HB SER 38 0.753 -14.943 -3.688 321 HG SER 38 HG SER 38 0.328 -12.519 -4.067 322 H HIS 39 H HIS 39 -2.721 -15.057 -2.517 323 HA HIS 39 HA HIS 39 -2.114 -17.369 -1.064 324 HB2 HIS 39 2HB HIS 39 -3.721 -15.190 -0.663 325 HB3 HIS 39 1HB HIS 39 -4.911 -16.474 -0.878 326 HD2 HIS 39 2HD HIS 39 -2.950 -15.051 1.974 327 HE1 HIS 39 1HE HIS 39 -3.465 -19.117 2.988 328 HE2 HIS 39 2HE HIS 39 -2.784 -16.837 3.872 329 H ARG 40 H ARG 40 -4.592 -16.789 -3.534 330 HA ARG 40 HA ARG 40 -5.903 -19.276 -3.338 331 HB2 ARG 40 2HB ARG 40 -5.584 -17.330 -5.627 332 HB3 ARG 40 1HB ARG 40 -6.580 -18.783 -5.737 333 HG2 ARG 40 2HG ARG 40 -7.837 -18.011 -3.711 334 HG3 ARG 40 1HG ARG 40 -6.913 -16.509 -3.760 335 HD2 ARG 40 2HD ARG 40 -8.675 -15.809 -5.038 336 HD3 ARG 40 1HD ARG 40 -7.759 -16.594 -6.322 337 HE ARG 40 HE ARG 40 -9.441 -18.498 -5.070 338 HH11 ARG 40 1HH2 ARG 40 -9.517 -15.697 -7.102 339 HH12 ARG 40 2HH2 ARG 40 -10.972 -16.161 -7.921 340 HH21 ARG 40 1HH1 ARG 40 -11.350 -19.111 -6.138 341 HH22 ARG 40 2HH1 ARG 40 -12.009 -18.093 -7.375 342 H ARG 41 H ARG 41 -3.156 -18.222 -5.326 343 HA ARG 41 HA ARG 41 -2.865 -20.651 -6.762 344 HB2 ARG 41 2HB ARG 41 -0.752 -18.587 -6.092 345 HB3 ARG 41 1HB ARG 41 -0.662 -19.795 -7.374 346 HG2 ARG 41 2HG ARG 41 -3.138 -18.333 -7.597 347 HG3 ARG 41 1HG ARG 41 -1.786 -17.202 -7.535 348 HD2 ARG 41 2HD ARG 41 -1.876 -19.613 -9.366 349 HD3 ARG 41 1HD ARG 41 -2.360 -17.992 -9.859 350 HE ARG 41 HE ARG 41 0.244 -17.915 -8.733 351 HH11 ARG 41 1HH2 ARG 41 -1.526 -18.991 -11.505 352 HH12 ARG 41 2HH2 ARG 41 -0.186 -18.843 -12.590 353 HH21 ARG 41 1HH1 ARG 41 2.008 -17.720 -10.151 354 HH22 ARG 41 2HH1 ARG 41 1.816 -18.124 -11.824 355 H THR 42 H THR 42 -1.473 -19.455 -3.737 356 HA THR 42 HA THR 42 0.379 -21.536 -3.317 357 HB THR 42 HB THR 42 -1.121 -19.875 -1.278 358 HG1 THR 42 1HG THR 42 1.154 -18.915 -1.383 359 HG21 THR 42 3HG2 THR 42 -0.137 -21.275 0.195 360 HG22 THR 42 1HG2 THR 42 1.388 -20.532 -0.288 361 HG23 THR 42 2HG2 THR 42 0.851 -22.022 -1.062 362 H LEU 43 H LEU 43 -3.007 -21.171 -2.301 363 HA LEU 43 HA LEU 43 -3.176 -23.555 -0.817 364 HB2 LEU 43 2HB LEU 43 -4.935 -21.477 -1.614 365 HB3 LEU 43 1HB LEU 43 -5.678 -22.998 -2.108 366 HG LEU 43 HG LEU 43 -4.629 -22.369 0.668 367 HD11 LEU 43 1HD1 LEU 43 -7.158 -22.696 1.159 368 HD12 LEU 43 2HD1 LEU 43 -7.379 -22.413 -0.568 369 HD13 LEU 43 3HD1 LEU 43 -6.647 -21.167 0.444 370 HD21 LEU 43 3HD2 LEU 43 -6.308 -24.597 0.748 371 HD22 LEU 43 1HD2 LEU 43 -4.549 -24.623 0.858 372 HD23 LEU 43 2HD2 LEU 43 -5.339 -24.849 -0.703 373 H GLN 44 H GLN 44 -3.769 -22.868 -4.242 374 HA GLN 44 HA GLN 44 -4.752 -25.419 -4.948 375 HB2 GLN 44 2HB GLN 44 -4.251 -23.002 -6.263 376 HB3 GLN 44 1HB GLN 44 -3.209 -24.175 -7.069 377 HG2 GLN 44 2HG GLN 44 -5.318 -24.252 -8.203 378 HG3 GLN 44 1HG GLN 44 -5.234 -25.706 -7.212 379 HE21 GLN 44 1HE2 GLN 44 -5.668 -23.751 -4.780 380 HE22 GLN 44 2HE2 GLN 44 -7.351 -23.533 -4.778 381 H GLN 45 H GLN 45 -1.470 -24.069 -4.910 382 HA GLN 45 HA GLN 45 -0.187 -26.336 -6.038 383 HB2 GLN 45 2HB GLN 45 0.932 -24.185 -5.992 384 HB3 GLN 45 1HB GLN 45 0.872 -24.151 -4.229 385 HG2 GLN 45 2HG GLN 45 2.096 -26.595 -5.308 386 HG3 GLN 45 1HG GLN 45 2.976 -25.128 -5.726 387 HE21 GLN 45 1HE2 GLN 45 3.699 -23.733 -3.894 388 HE22 GLN 45 2HE2 GLN 45 3.920 -24.417 -2.356 389 H LYS 46 H LYS 46 -0.900 -25.370 -2.705 390 HA LYS 46 HA LYS 46 0.544 -27.453 -1.445 391 HB2 LYS 46 2HB LYS 46 -0.506 -25.282 -0.448 392 HB3 LYS 46 1HB LYS 46 -1.952 -26.273 -0.263 393 HG2 LYS 46 2HG LYS 46 -0.042 -27.959 0.728 394 HG3 LYS 46 1HG LYS 46 0.615 -26.393 1.201 395 HD2 LYS 46 2HD LYS 46 -1.641 -25.823 2.161 396 HD3 LYS 46 1HD LYS 46 -2.136 -27.486 1.840 397 HE2 LYS 46 2HE LYS 46 0.207 -27.929 3.134 398 HE3 LYS 46 1HE LYS 46 -0.299 -26.428 3.912 399 HZ1 LYS 46 3HZ LYS 46 -1.932 -28.896 3.659 400 HZ2 LYS 46 1HZ LYS 46 -2.446 -27.450 4.377 401 HZ3 LYS 46 2HZ LYS 46 -1.180 -28.340 5.077 402 H ILE 47 H ILE 47 -2.686 -27.252 -2.799 403 HA ILE 47 HA ILE 47 -3.486 -29.826 -1.715 404 HB ILE 47 HB ILE 47 -4.784 -27.759 -3.471 405 HG12 ILE 47 2HG1 ILE 47 -5.809 -29.139 -0.984 406 HG13 ILE 47 1HG1 ILE 47 -4.754 -27.728 -0.897 407 HG21 ILE 47 1HG2 ILE 47 -6.783 -29.396 -3.420 408 HG22 ILE 47 2HG2 ILE 47 -5.587 -30.643 -3.071 409 HG23 ILE 47 3HG2 ILE 47 -5.499 -29.731 -4.579 410 HD11 ILE 47 3HD1 ILE 47 -6.360 -26.433 -2.243 411 HD12 ILE 47 1HD1 ILE 47 -7.134 -27.068 -0.792 412 HD13 ILE 47 2HD1 ILE 47 -7.415 -27.844 -2.351 413 H TRP 48 H TRP 48 -1.925 -28.601 -4.529 414 HA TRP 48 HA TRP 48 -1.795 -31.310 -5.631 415 HB2 TRP 48 2HB TRP 48 -3.693 -30.378 -6.810 416 HB3 TRP 48 1HB TRP 48 -2.788 -28.911 -7.185 417 HD1 TRP 48 HD TRP 48 -2.033 -32.692 -7.615 418 HE1 TRP 48 1HE TRP 48 -1.132 -33.055 -10.003 419 HE3 TRP 48 3HE TRP 48 -2.254 -27.904 -9.379 420 HZ2 TRP 48 2HZ TRP 48 -0.580 -31.518 -12.351 421 HZ3 TRP 48 3HZ TRP 48 -1.535 -27.383 -11.693 422 HH2 TRP 48 HH TRP 48 -0.699 -29.183 -13.180 423 HA PRO 49 HA PRO 49 2.126 -28.842 -5.961 424 HB2 PRO 49 2HB PRO 49 3.672 -30.393 -4.344 425 HB3 PRO 49 1HB PRO 49 2.663 -29.070 -3.733 426 HG2 PRO 49 2HG PRO 49 2.216 -31.993 -3.622 427 HG3 PRO 49 1HG PRO 49 1.746 -30.728 -2.474 428 HD2 PRO 49 2HD PRO 49 0.044 -31.935 -4.341 429 HD3 PRO 49 1HD PRO 49 -0.273 -30.409 -3.493 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -29.426 11.810 -1.501 2 H2 MET 1 2HT MET 1 -29.967 12.516 -2.950 3 H3 MET 1 3HT MET 1 -29.722 13.479 -1.571 4 HA MET 1 HA MET 1 -27.399 13.253 -1.674 5 HB2 MET 1 2HB MET 1 -28.139 10.936 -3.393 6 HB3 MET 1 1HB MET 1 -26.639 11.776 -3.789 7 HG2 MET 1 2HG MET 1 -25.845 11.492 -1.485 8 HG3 MET 1 1HG MET 1 -27.360 10.702 -1.046 9 HE1 MET 1 2HE MET 1 -23.670 9.848 -2.200 10 HE2 MET 1 3HE MET 1 -24.499 10.928 -3.318 11 HE3 MET 1 1HE MET 1 -24.057 9.291 -3.826 12 H SER 2 H SER 2 -27.965 15.414 -2.299 13 HA SER 2 HA SER 2 -28.448 15.960 -5.117 14 HB2 SER 2 2HB SER 2 -29.012 18.103 -4.467 15 HB3 SER 2 1HB SER 2 -29.394 17.214 -2.996 16 HG SER 2 HG SER 2 -27.538 17.923 -2.082 17 H GLU 3 H GLU 3 -25.774 15.248 -3.350 18 HA GLU 3 HA GLU 3 -23.562 16.139 -3.335 19 HB2 GLU 3 2HB GLU 3 -23.924 14.118 -4.865 20 HB3 GLU 3 1HB GLU 3 -23.897 15.270 -6.203 21 HG2 GLU 3 2HG GLU 3 -21.691 16.014 -4.708 22 HG3 GLU 3 1HG GLU 3 -21.682 14.257 -4.576 23 HA PRO 4 HA PRO 4 -24.685 20.220 -5.341 24 HB2 PRO 4 2HB PRO 4 -23.043 21.087 -3.007 25 HB3 PRO 4 1HB PRO 4 -24.583 21.734 -3.605 26 HG2 PRO 4 2HG PRO 4 -24.472 20.246 -1.403 27 HG3 PRO 4 1HG PRO 4 -25.829 20.121 -2.539 28 HD2 PRO 4 2HD PRO 4 -23.533 18.242 -2.133 29 HD3 PRO 4 1HD PRO 4 -25.222 17.887 -2.560 30 H ALA 5 H ALA 5 -23.268 21.709 -6.403 31 HA ALA 5 HA ALA 5 -20.859 20.575 -7.372 32 HB1 ALA 5 1HB ALA 5 -22.271 22.197 -8.639 33 HB2 ALA 5 2HB ALA 5 -20.572 22.664 -8.575 34 HB3 ALA 5 3HB ALA 5 -21.746 23.464 -7.530 35 H SER 6 H SER 6 -21.498 21.964 -4.448 36 HA SER 6 HA SER 6 -19.229 23.589 -3.986 37 HB2 SER 6 2HB SER 6 -21.016 22.025 -2.123 38 HB3 SER 6 1HB SER 6 -19.693 23.034 -1.546 39 HG SER 6 HG SER 6 -21.018 24.639 -1.772 40 H LEU 7 H LEU 7 -19.762 20.123 -3.786 41 HA LEU 7 HA LEU 7 -17.427 19.428 -2.379 42 HB2 LEU 7 2HB LEU 7 -19.572 18.058 -3.451 43 HB3 LEU 7 1HB LEU 7 -18.224 17.513 -4.448 44 HG LEU 7 HG LEU 7 -18.228 17.504 -1.412 45 HD11 LEU 7 1HD1 LEU 7 -18.059 14.901 -2.566 46 HD12 LEU 7 2HD1 LEU 7 -19.458 15.718 -3.267 47 HD13 LEU 7 3HD1 LEU 7 -19.317 15.552 -1.516 48 HD21 LEU 7 3HD2 LEU 7 -15.972 17.632 -2.110 49 HD22 LEU 7 1HD2 LEU 7 -16.266 16.647 -3.543 50 HD23 LEU 7 2HD2 LEU 7 -16.248 15.898 -1.947 51 H LEU 8 H LEU 8 -18.049 19.609 -5.874 52 HA LEU 8 HA LEU 8 -15.436 18.903 -6.690 53 HB2 LEU 8 2HB LEU 8 -17.575 20.537 -8.062 54 HB3 LEU 8 1HB LEU 8 -16.092 20.003 -8.849 55 HG LEU 8 HG LEU 8 -17.201 17.716 -7.574 56 HD11 LEU 8 1HD1 LEU 8 -19.356 18.779 -7.461 57 HD12 LEU 8 2HD1 LEU 8 -19.399 17.623 -8.791 58 HD13 LEU 8 3HD1 LEU 8 -19.228 19.346 -9.125 59 HD21 LEU 8 3HD2 LEU 8 -17.371 16.915 -9.904 60 HD22 LEU 8 1HD2 LEU 8 -15.846 17.759 -9.633 61 HD23 LEU 8 2HD2 LEU 8 -17.163 18.567 -10.486 62 H THR 9 H THR 9 -16.925 21.993 -5.931 63 HA THR 9 HA THR 9 -14.588 23.512 -6.683 64 HB THR 9 HB THR 9 -16.541 24.788 -4.887 65 HG1 THR 9 1HG THR 9 -18.252 24.461 -6.093 66 HG21 THR 9 3HG2 THR 9 -16.455 26.505 -6.638 67 HG22 THR 9 1HG2 THR 9 -15.545 25.411 -7.681 68 HG23 THR 9 2HG2 THR 9 -14.825 26.009 -6.187 69 H ALA 10 H ALA 10 -15.534 21.716 -3.990 70 HA ALA 10 HA ALA 10 -13.685 23.174 -2.212 71 HB1 ALA 10 1HB ALA 10 -15.870 21.180 -1.586 72 HB2 ALA 10 2HB ALA 10 -15.878 22.908 -1.233 73 HB3 ALA 10 3HB ALA 10 -14.760 21.840 -0.386 74 H SER 11 H SER 11 -13.658 20.688 -4.309 75 HA SER 11 HA SER 11 -12.286 18.672 -2.811 76 HB2 SER 11 2HB SER 11 -13.513 18.605 -5.181 77 HB3 SER 11 1HB SER 11 -11.874 18.900 -5.751 78 HG SER 11 HG SER 11 -12.842 16.614 -5.131 79 H ASP 12 H ASP 12 -11.361 21.703 -3.621 80 HA ASP 12 HA ASP 12 -8.552 21.031 -4.159 81 HB2 ASP 12 2HB ASP 12 -9.958 22.873 -5.381 82 HB3 ASP 12 1HB ASP 12 -9.589 23.835 -3.951 83 H LEU 13 H LEU 13 -10.268 21.033 -1.503 84 HA LEU 13 HA LEU 13 -9.347 22.853 0.326 85 HB2 LEU 13 2HB LEU 13 -9.596 21.066 2.031 86 HB3 LEU 13 1HB LEU 13 -10.963 21.131 0.918 87 HG LEU 13 HG LEU 13 -9.204 19.403 -0.354 88 HD11 LEU 13 1HD1 LEU 13 -8.373 17.854 1.247 89 HD12 LEU 13 2HD1 LEU 13 -9.302 18.591 2.554 90 HD13 LEU 13 3HD1 LEU 13 -7.921 19.443 1.864 91 HD21 LEU 13 3HD2 LEU 13 -10.821 17.641 0.491 92 HD22 LEU 13 1HD2 LEU 13 -11.576 19.039 -0.273 93 HD23 LEU 13 2HD2 LEU 13 -11.554 18.900 1.485 94 H ASP 14 H ASP 14 -7.642 20.028 -0.941 95 HA ASP 14 HA ASP 14 -5.084 21.146 -0.465 96 HB2 ASP 14 2HB ASP 14 -5.843 20.500 1.892 97 HB3 ASP 14 1HB ASP 14 -5.682 18.827 1.360 98 HA PRO 15 HA PRO 15 -5.452 17.805 -3.670 99 HB2 PRO 15 2HB PRO 15 -3.283 19.498 -4.805 100 HB3 PRO 15 1HB PRO 15 -4.729 18.837 -5.593 101 HG2 PRO 15 2HG PRO 15 -4.552 21.417 -4.978 102 HG3 PRO 15 1HG PRO 15 -6.082 20.534 -4.833 103 HD2 PRO 15 2HD PRO 15 -4.190 21.390 -2.675 104 HD3 PRO 15 1HD PRO 15 -5.965 21.325 -2.659 105 H LEU 16 H LEU 16 -2.681 19.230 -2.027 106 HA LEU 16 HA LEU 16 -0.729 17.327 -2.726 107 HB2 LEU 16 2HB LEU 16 -0.510 19.605 -1.474 108 HB3 LEU 16 1HB LEU 16 -0.780 18.639 -0.024 109 HG LEU 16 HG LEU 16 1.075 17.100 -1.260 110 HD11 LEU 16 1HD1 LEU 16 1.255 18.772 -3.119 111 HD12 LEU 16 2HD1 LEU 16 2.779 18.519 -2.266 112 HD13 LEU 16 3HD1 LEU 16 1.817 19.961 -1.943 113 HD21 LEU 16 3HD2 LEU 16 2.755 18.355 0.193 114 HD22 LEU 16 1HD2 LEU 16 1.304 17.793 1.025 115 HD23 LEU 16 2HD2 LEU 16 1.455 19.489 0.562 116 H ILE 17 H ILE 17 -2.746 17.521 0.216 117 HA ILE 17 HA ILE 17 -1.885 15.073 1.323 118 HB ILE 17 HB ILE 17 -4.309 16.807 1.718 119 HG12 ILE 17 2HG1 ILE 17 -2.199 15.896 3.686 120 HG13 ILE 17 1HG1 ILE 17 -1.965 17.303 2.649 121 HG21 ILE 17 1HG2 ILE 17 -3.787 14.028 2.756 122 HG22 ILE 17 2HG2 ILE 17 -5.286 14.704 2.119 123 HG23 ILE 17 3HG2 ILE 17 -4.711 15.185 3.716 124 HD11 ILE 17 3HD1 ILE 17 -3.643 18.527 3.695 125 HD12 ILE 17 1HD1 ILE 17 -3.023 17.589 5.055 126 HD13 ILE 17 2HD1 ILE 17 -4.501 17.083 4.235 127 H LEU 18 H LEU 18 -4.382 15.872 -1.012 128 HA LEU 18 HA LEU 18 -5.741 13.376 -0.968 129 HB2 LEU 18 2HB LEU 18 -5.829 15.826 -2.495 130 HB3 LEU 18 1HB LEU 18 -5.959 14.428 -3.564 131 HG LEU 18 HG LEU 18 -7.616 14.791 -1.051 132 HD11 LEU 18 1HD1 LEU 18 -9.432 15.493 -2.474 133 HD12 LEU 18 2HD1 LEU 18 -8.480 15.193 -3.928 134 HD13 LEU 18 3HD1 LEU 18 -8.047 16.520 -2.849 135 HD21 LEU 18 3HD2 LEU 18 -7.084 12.560 -2.707 136 HD22 LEU 18 1HD2 LEU 18 -8.710 13.101 -3.128 137 HD23 LEU 18 2HD2 LEU 18 -8.323 12.689 -1.457 138 H THR 19 H THR 19 -2.915 14.567 -2.687 139 HA THR 19 HA THR 19 -2.694 12.433 -4.546 140 HB THR 19 HB THR 19 -0.145 13.577 -3.701 141 HG1 THR 19 1HG THR 19 -0.715 15.580 -3.585 142 HG21 THR 19 3HG2 THR 19 -1.704 13.887 -6.276 143 HG22 THR 19 1HG2 THR 19 -0.736 12.463 -5.893 144 HG23 THR 19 2HG2 THR 19 0.040 14.038 -6.054 145 H LEU 20 H LEU 20 -1.085 13.035 -1.418 146 HA LEU 20 HA LEU 20 0.391 10.642 -1.331 147 HB2 LEU 20 2HB LEU 20 -0.680 12.419 0.867 148 HB3 LEU 20 1HB LEU 20 0.382 11.043 1.168 149 HG LEU 20 HG LEU 20 1.263 12.926 -0.951 150 HD11 LEU 20 1HD1 LEU 20 1.117 13.650 1.982 151 HD12 LEU 20 2HD1 LEU 20 0.544 14.589 0.602 152 HD13 LEU 20 3HD1 LEU 20 2.275 14.396 0.882 153 HD21 LEU 20 3HD2 LEU 20 3.408 12.297 -0.189 154 HD22 LEU 20 1HD2 LEU 20 2.450 10.833 0.027 155 HD23 LEU 20 2HD2 LEU 20 2.809 11.865 1.412 156 H SER 21 H SER 21 -2.875 11.425 -0.199 157 HA SER 21 HA SER 21 -3.386 8.933 1.061 158 HB2 SER 21 2HB SER 21 -4.853 10.650 1.681 159 HB3 SER 21 1HB SER 21 -5.119 11.155 0.015 160 HG SER 21 HG SER 21 -6.860 9.915 0.972 161 H LEU 22 H LEU 22 -4.283 10.186 -2.164 162 HA LEU 22 HA LEU 22 -5.609 7.919 -3.105 163 HB2 LEU 22 2HB LEU 22 -5.509 10.163 -4.230 164 HB3 LEU 22 1HB LEU 22 -3.873 9.765 -4.757 165 HG LEU 22 HG LEU 22 -5.424 7.518 -5.421 166 HD11 LEU 22 1HD1 LEU 22 -7.285 8.386 -6.682 167 HD12 LEU 22 2HD1 LEU 22 -6.791 10.049 -6.368 168 HD13 LEU 22 3HD1 LEU 22 -7.404 9.048 -5.052 169 HD21 LEU 22 3HD2 LEU 22 -4.450 9.853 -7.094 170 HD22 LEU 22 1HD2 LEU 22 -4.958 8.295 -7.746 171 HD23 LEU 22 2HD2 LEU 22 -3.537 8.395 -6.706 172 H ILE 23 H ILE 23 -2.156 8.704 -3.101 173 HA ILE 23 HA ILE 23 -1.266 6.557 -4.682 174 HB ILE 23 HB ILE 23 -0.017 8.300 -2.590 175 HG12 ILE 23 2HG1 ILE 23 0.942 7.680 -5.383 176 HG13 ILE 23 1HG1 ILE 23 -0.370 8.829 -5.111 177 HG21 ILE 23 1HG2 ILE 23 1.086 5.718 -3.695 178 HG22 ILE 23 2HG2 ILE 23 1.083 6.289 -2.026 179 HG23 ILE 23 3HG2 ILE 23 2.158 7.033 -3.210 180 HD11 ILE 23 3HD1 ILE 23 2.088 9.140 -3.448 181 HD12 ILE 23 1HD1 ILE 23 1.008 10.373 -4.098 182 HD13 ILE 23 2HD1 ILE 23 2.196 9.599 -5.147 183 H LEU 24 H LEU 24 -1.123 6.809 -1.112 184 HA LEU 24 HA LEU 24 -0.449 4.156 -0.612 185 HB2 LEU 24 2HB LEU 24 -1.796 6.312 0.970 186 HB3 LEU 24 1HB LEU 24 -1.774 4.671 1.619 187 HG LEU 24 HG LEU 24 0.769 5.863 0.562 188 HD11 LEU 24 1HD1 LEU 24 1.143 6.545 3.043 189 HD12 LEU 24 2HD1 LEU 24 -0.618 6.521 3.156 190 HD13 LEU 24 3HD1 LEU 24 0.180 7.615 2.024 191 HD21 LEU 24 3HD2 LEU 24 0.202 3.414 1.497 192 HD22 LEU 24 1HD2 LEU 24 0.527 4.214 3.036 193 HD23 LEU 24 2HD2 LEU 24 1.765 4.179 1.780 194 H VAL 25 H VAL 25 -3.539 5.603 -1.330 195 HA VAL 25 HA VAL 25 -5.156 3.400 -0.502 196 HB VAL 25 HB VAL 25 -5.639 5.713 -2.376 197 HG11 VAL 25 1HG1 VAL 25 -7.361 3.343 -1.694 198 HG12 VAL 25 2HG1 VAL 25 -7.109 4.114 -3.258 199 HG13 VAL 25 3HG1 VAL 25 -8.101 4.906 -2.035 200 HG21 VAL 25 3HG2 VAL 25 -7.238 5.267 0.075 201 HG22 VAL 25 1HG2 VAL 25 -6.533 6.757 -0.553 202 HG23 VAL 25 2HG2 VAL 25 -5.531 5.621 0.349 203 H LEU 26 H LEU 26 -4.066 4.490 -3.721 204 HA LEU 26 HA LEU 26 -5.112 2.282 -5.137 205 HB2 LEU 26 2HB LEU 26 -3.278 4.521 -5.687 206 HB3 LEU 26 1HB LEU 26 -2.990 3.082 -6.665 207 HG LEU 26 HG LEU 26 -5.743 4.278 -6.297 208 HD11 LEU 26 1HD1 LEU 26 -4.314 5.972 -7.341 209 HD12 LEU 26 2HD1 LEU 26 -5.409 5.293 -8.545 210 HD13 LEU 26 3HD1 LEU 26 -3.720 4.783 -8.501 211 HD21 LEU 26 3HD2 LEU 26 -5.187 2.892 -8.783 212 HD22 LEU 26 1HD2 LEU 26 -6.422 2.547 -7.575 213 HD23 LEU 26 2HD2 LEU 26 -4.808 1.858 -7.405 214 H ILE 27 H ILE 27 -1.994 2.862 -3.588 215 HA ILE 27 HA ILE 27 -0.711 0.537 -4.594 216 HB ILE 27 HB ILE 27 -0.181 2.458 -2.354 217 HG12 ILE 27 2HG1 ILE 27 0.448 2.623 -4.918 218 HG13 ILE 27 1HG1 ILE 27 1.607 3.121 -3.688 219 HG21 ILE 27 1HG2 ILE 27 1.052 -0.272 -2.738 220 HG22 ILE 27 2HG2 ILE 27 0.490 0.483 -1.246 221 HG23 ILE 27 3HG2 ILE 27 1.974 1.045 -2.016 222 HD11 ILE 27 3HD1 ILE 27 1.576 0.275 -4.689 223 HD12 ILE 27 1HD1 ILE 27 2.887 1.161 -3.915 224 HD13 ILE 27 2HD1 ILE 27 2.434 1.532 -5.576 225 H SER 28 H SER 28 -2.234 1.248 -1.450 226 HA SER 28 HA SER 28 -1.867 -1.260 -0.279 227 HB2 SER 28 2HB SER 28 -3.862 -0.653 1.116 228 HB3 SER 28 1HB SER 28 -2.627 0.602 1.047 229 HG SER 28 HG SER 28 -3.861 1.644 -0.538 230 H LEU 29 H LEU 29 -4.515 -0.074 -2.308 231 HA LEU 29 HA LEU 29 -6.144 -2.353 -2.147 232 HB2 LEU 29 2HB LEU 29 -6.026 0.074 -3.731 233 HB3 LEU 29 1HB LEU 29 -6.488 -1.301 -4.731 234 HG LEU 29 HG LEU 29 -8.459 -0.191 -3.701 235 HD11 LEU 29 1HD1 LEU 29 -8.603 -2.654 -2.182 236 HD12 LEU 29 2HD1 LEU 29 -7.825 -2.939 -3.739 237 HD13 LEU 29 3HD1 LEU 29 -9.437 -2.225 -3.676 238 HD21 LEU 29 3HD2 LEU 29 -7.885 -1.259 -1.015 239 HD22 LEU 29 1HD2 LEU 29 -8.567 0.300 -1.481 240 HD23 LEU 29 2HD2 LEU 29 -6.821 0.062 -1.496 241 H LEU 30 H LEU 30 -3.520 -1.526 -4.371 242 HA LEU 30 HA LEU 30 -3.793 -3.763 -6.075 243 HB2 LEU 30 2HB LEU 30 -2.363 -1.598 -6.331 244 HB3 LEU 30 1HB LEU 30 -1.135 -2.515 -5.458 245 HG LEU 30 HG LEU 30 -1.772 -4.394 -7.230 246 HD11 LEU 30 1HD1 LEU 30 -2.679 -3.655 -9.235 247 HD12 LEU 30 2HD1 LEU 30 -2.135 -1.996 -8.990 248 HD13 LEU 30 3HD1 LEU 30 -3.533 -2.606 -8.104 249 HD21 LEU 30 3HD2 LEU 30 0.461 -3.303 -6.936 250 HD22 LEU 30 1HD2 LEU 30 -0.081 -1.982 -7.971 251 HD23 LEU 30 2HD2 LEU 30 0.080 -3.609 -8.629 252 H LEU 31 H LEU 31 -1.762 -3.220 -3.200 253 HA LEU 31 HA LEU 31 -0.439 -5.679 -3.205 254 HB2 LEU 31 2HB LEU 31 -0.580 -3.440 -1.509 255 HB3 LEU 31 1HB LEU 31 -1.056 -4.812 -0.511 256 HG LEU 31 HG LEU 31 1.371 -4.516 -0.415 257 HD11 LEU 31 1HD1 LEU 31 0.041 -6.865 -0.914 258 HD12 LEU 31 2HD1 LEU 31 1.747 -6.760 -0.476 259 HD13 LEU 31 3HD1 LEU 31 1.276 -6.884 -2.172 260 HD21 LEU 31 3HD2 LEU 31 2.613 -3.987 -2.231 261 HD22 LEU 31 1HD2 LEU 31 1.090 -3.781 -3.098 262 HD23 LEU 31 2HD2 LEU 31 1.937 -5.326 -3.160 263 H THR 32 H THR 32 -3.537 -4.764 -1.765 264 HA THR 32 HA THR 32 -4.062 -7.189 -0.438 265 HB THR 32 HB THR 32 -6.325 -5.691 -1.665 266 HG1 THR 32 1HG THR 32 -4.910 -4.617 0.514 267 HG21 THR 32 3HG2 THR 32 -7.384 -6.195 0.361 268 HG22 THR 32 1HG2 THR 32 -5.858 -6.321 1.237 269 HG23 THR 32 2HG2 THR 32 -6.341 -7.597 0.122 270 H VAL 33 H VAL 33 -4.892 -6.100 -3.721 271 HA VAL 33 HA VAL 33 -6.308 -8.438 -4.470 272 HB VAL 33 HB VAL 33 -4.881 -6.322 -6.090 273 HG11 VAL 33 1HG1 VAL 33 -6.179 -8.877 -6.889 274 HG12 VAL 33 2HG1 VAL 33 -4.913 -7.956 -7.701 275 HG13 VAL 33 3HG1 VAL 33 -6.596 -7.452 -7.842 276 HG21 VAL 33 3HG2 VAL 33 -7.158 -6.115 -4.644 277 HG22 VAL 33 1HG2 VAL 33 -7.823 -6.759 -6.145 278 HG23 VAL 33 2HG2 VAL 33 -6.911 -5.250 -6.161 279 H LEU 34 H LEU 34 -2.905 -7.475 -4.823 280 HA LEU 34 HA LEU 34 -2.085 -9.737 -6.324 281 HB2 LEU 34 2HB LEU 34 -0.590 -7.872 -4.490 282 HB3 LEU 34 1HB LEU 34 0.203 -9.102 -5.475 283 HG LEU 34 HG LEU 34 -1.706 -7.227 -6.824 284 HD11 LEU 34 1HD1 LEU 34 -0.344 -5.674 -5.548 285 HD12 LEU 34 2HD1 LEU 34 0.220 -5.656 -7.217 286 HD13 LEU 34 3HD1 LEU 34 1.128 -6.537 -5.990 287 HD21 LEU 34 3HD2 LEU 34 -0.517 -7.818 -8.733 288 HD22 LEU 34 1HD2 LEU 34 -0.314 -9.282 -7.771 289 HD23 LEU 34 2HD2 LEU 34 0.981 -8.087 -7.843 290 H ALA 35 H ALA 35 -1.805 -9.014 -2.839 291 HA ALA 35 HA ALA 35 -0.679 -11.464 -2.064 292 HB1 ALA 35 1HB ALA 35 -1.980 -10.847 0.162 293 HB2 ALA 35 2HB ALA 35 -2.216 -9.312 -0.673 294 HB3 ALA 35 3HB ALA 35 -0.584 -9.907 -0.365 295 H LEU 36 H LEU 36 -3.977 -10.519 -2.722 296 HA LEU 36 HA LEU 36 -5.243 -12.790 -1.540 297 HB2 LEU 36 2HB LEU 36 -6.470 -10.721 -2.088 298 HB3 LEU 36 1HB LEU 36 -6.214 -11.030 -3.806 299 HG LEU 36 HG LEU 36 -7.343 -13.338 -2.389 300 HD11 LEU 36 1HD1 LEU 36 -8.460 -11.636 -1.059 301 HD12 LEU 36 2HD1 LEU 36 -9.618 -12.306 -2.209 302 HD13 LEU 36 3HD1 LEU 36 -8.885 -10.730 -2.511 303 HD21 LEU 36 3HD2 LEU 36 -7.184 -13.099 -4.851 304 HD22 LEU 36 1HD2 LEU 36 -8.249 -11.694 -4.776 305 HD23 LEU 36 2HD2 LEU 36 -8.859 -13.288 -4.331 306 H LEU 37 H LEU 37 -4.312 -12.041 -4.895 307 HA LEU 37 HA LEU 37 -5.162 -14.527 -5.976 308 HB2 LEU 37 2HB LEU 37 -3.210 -12.436 -6.950 309 HB3 LEU 37 1HB LEU 37 -3.625 -13.873 -7.886 310 HG LEU 37 HG LEU 37 -5.881 -12.262 -6.782 311 HD11 LEU 37 1HD1 LEU 37 -4.240 -11.434 -9.197 312 HD12 LEU 37 2HD1 LEU 37 -4.371 -10.535 -7.686 313 HD13 LEU 37 3HD1 LEU 37 -5.785 -10.728 -8.723 314 HD21 LEU 37 3HD2 LEU 37 -6.990 -13.055 -8.750 315 HD22 LEU 37 1HD2 LEU 37 -6.047 -14.418 -8.147 316 HD23 LEU 37 2HD2 LEU 37 -5.463 -13.480 -9.523 317 H SER 38 H SER 38 -2.096 -13.368 -4.660 318 HA SER 38 HA SER 38 -0.478 -15.543 -5.419 319 HB2 SER 38 2HB SER 38 1.072 -14.291 -4.396 320 HB3 SER 38 1HB SER 38 -0.202 -13.203 -3.854 321 HG SER 38 HG SER 38 -0.451 -14.502 -2.021 322 H HIS 39 H HIS 39 -2.393 -14.988 -2.471 323 HA HIS 39 HA HIS 39 -1.669 -17.358 -1.132 324 HB2 HIS 39 2HB HIS 39 -2.783 -15.553 0.044 325 HB3 HIS 39 1HB HIS 39 -4.208 -15.718 -0.980 326 HD2 HIS 39 2HD HIS 39 -2.586 -17.458 2.118 327 HE1 HIS 39 1HE HIS 39 -6.153 -19.526 1.209 328 HE2 HIS 39 2HE HIS 39 -4.280 -19.282 2.908 329 H ARG 40 H ARG 40 -4.411 -16.638 -3.284 330 HA ARG 40 HA ARG 40 -5.657 -19.156 -3.134 331 HB2 ARG 40 2HB ARG 40 -5.778 -16.803 -4.905 332 HB3 ARG 40 1HB ARG 40 -6.236 -18.326 -5.671 333 HG2 ARG 40 2HG ARG 40 -7.872 -18.766 -3.917 334 HG3 ARG 40 1HG ARG 40 -7.363 -17.322 -3.041 335 HD2 ARG 40 2HD ARG 40 -8.014 -15.957 -5.046 336 HD3 ARG 40 1HD ARG 40 -8.670 -17.421 -5.773 337 HE ARG 40 HE ARG 40 -9.897 -15.847 -3.708 338 HH11 ARG 40 1HH2 ARG 40 -9.481 -19.038 -4.982 339 HH12 ARG 40 2HH2 ARG 40 -10.985 -19.631 -4.361 340 HH21 ARG 40 1HH1 ARG 40 -11.870 -16.617 -2.891 341 HH22 ARG 40 2HH1 ARG 40 -12.339 -18.260 -3.177 342 H ARG 41 H ARG 41 -3.127 -17.924 -5.292 343 HA ARG 41 HA ARG 41 -2.977 -20.170 -6.991 344 HB2 ARG 41 2HB ARG 41 -1.748 -17.714 -6.880 345 HB3 ARG 41 1HB ARG 41 -0.428 -18.811 -6.478 346 HG2 ARG 41 2HG ARG 41 -0.935 -20.154 -8.492 347 HG3 ARG 41 1HG ARG 41 -2.240 -19.040 -8.901 348 HD2 ARG 41 2HD ARG 41 -0.669 -17.206 -9.144 349 HD3 ARG 41 1HD ARG 41 0.657 -18.216 -8.576 350 HE ARG 41 HE ARG 41 -0.505 -18.220 -11.229 351 HH11 ARG 41 1HH2 ARG 41 1.261 -19.972 -8.823 352 HH12 ARG 41 2HH2 ARG 41 2.034 -21.027 -9.960 353 HH21 ARG 41 1HH1 ARG 41 0.504 -19.600 -12.726 354 HH22 ARG 41 2HH1 ARG 41 1.605 -20.816 -12.170 355 H THR 42 H THR 42 -1.181 -19.336 -4.035 356 HA THR 42 HA THR 42 0.522 -21.570 -3.993 357 HB THR 42 HB THR 42 0.743 -21.094 -1.571 358 HG1 THR 42 1HG THR 42 -0.580 -19.643 -0.623 359 HG21 THR 42 3HG2 THR 42 2.166 -19.519 -2.307 360 HG22 THR 42 1HG2 THR 42 0.836 -18.361 -2.306 361 HG23 THR 42 2HG2 THR 42 1.196 -19.287 -3.763 362 H LEU 43 H LEU 43 -2.696 -21.074 -2.570 363 HA LEU 43 HA LEU 43 -2.911 -23.519 -1.238 364 HB2 LEU 43 2HB LEU 43 -4.560 -21.327 -1.645 365 HB3 LEU 43 1HB LEU 43 -5.412 -22.626 -2.477 366 HG LEU 43 HG LEU 43 -6.129 -22.528 -0.138 367 HD11 LEU 43 1HD1 LEU 43 -4.378 -24.932 -0.094 368 HD12 LEU 43 2HD1 LEU 43 -5.439 -24.760 -1.492 369 HD13 LEU 43 3HD1 LEU 43 -6.123 -24.803 0.133 370 HD21 LEU 43 3HD2 LEU 43 -3.604 -23.463 1.011 371 HD22 LEU 43 1HD2 LEU 43 -4.690 -22.195 1.586 372 HD23 LEU 43 2HD2 LEU 43 -3.478 -21.832 0.356 373 H GLN 44 H GLN 44 -3.629 -22.680 -4.588 374 HA GLN 44 HA GLN 44 -4.814 -25.097 -5.369 375 HB2 GLN 44 2HB GLN 44 -3.912 -22.719 -6.629 376 HB3 GLN 44 1HB GLN 44 -3.192 -24.075 -7.497 377 HG2 GLN 44 2HG GLN 44 -6.138 -23.825 -6.822 378 HG3 GLN 44 1HG GLN 44 -5.432 -23.460 -8.395 379 HE21 GLN 44 1HE2 GLN 44 -3.972 -25.422 -9.241 380 HE22 GLN 44 2HE2 GLN 44 -4.669 -26.958 -9.056 381 H GLN 45 H GLN 45 -1.400 -24.076 -5.599 382 HA GLN 45 HA GLN 45 -0.397 -26.493 -6.628 383 HB2 GLN 45 2HB GLN 45 0.673 -24.046 -6.036 384 HB3 GLN 45 1HB GLN 45 1.385 -25.057 -4.777 385 HG2 GLN 45 2HG GLN 45 1.463 -25.608 -7.757 386 HG3 GLN 45 1HG GLN 45 2.817 -25.062 -6.769 387 HE21 GLN 45 1HE2 GLN 45 1.074 -27.855 -7.834 388 HE22 GLN 45 2HE2 GLN 45 1.890 -28.990 -6.872 389 H LYS 46 H LYS 46 -0.711 -25.351 -3.276 390 HA LYS 46 HA LYS 46 0.488 -27.532 -1.994 391 HB2 LYS 46 2HB LYS 46 -0.314 -25.298 -0.994 392 HB3 LYS 46 1HB LYS 46 -1.895 -26.070 -0.868 393 HG2 LYS 46 2HG LYS 46 -0.946 -27.871 0.485 394 HG3 LYS 46 1HG LYS 46 0.669 -27.183 0.311 395 HD2 LYS 46 2HD LYS 46 -0.064 -25.138 1.466 396 HD3 LYS 46 1HD LYS 46 -1.688 -25.804 1.630 397 HE2 LYS 46 2HE LYS 46 -0.775 -26.372 3.694 398 HE3 LYS 46 1HE LYS 46 -0.409 -27.824 2.760 399 HZ1 LYS 46 3HZ LYS 46 1.558 -25.715 2.559 400 HZ2 LYS 46 1HZ LYS 46 1.772 -27.384 2.772 401 HZ3 LYS 46 2HZ LYS 46 1.411 -26.398 4.107 402 H ILE 47 H ILE 47 -2.957 -26.977 -2.737 403 HA ILE 47 HA ILE 47 -3.922 -29.419 -1.737 404 HB ILE 47 HB ILE 47 -4.920 -27.476 -3.801 405 HG12 ILE 47 2HG1 ILE 47 -6.125 -28.461 -1.198 406 HG13 ILE 47 1HG1 ILE 47 -5.050 -27.065 -1.299 407 HG21 ILE 47 1HG2 ILE 47 -5.946 -30.239 -3.172 408 HG22 ILE 47 2HG2 ILE 47 -5.783 -29.448 -4.741 409 HG23 ILE 47 3HG2 ILE 47 -7.070 -28.961 -3.639 410 HD11 ILE 47 3HD1 ILE 47 -6.632 -26.085 -3.013 411 HD12 ILE 47 1HD1 ILE 47 -7.312 -26.234 -1.392 412 HD13 ILE 47 2HD1 ILE 47 -7.745 -27.402 -2.641 413 H TRP 48 H TRP 48 -2.818 -28.527 -4.998 414 HA TRP 48 HA TRP 48 -3.369 -31.030 -6.185 415 HB2 TRP 48 2HB TRP 48 -2.040 -28.549 -6.938 416 HB3 TRP 48 1HB TRP 48 -1.235 -29.965 -7.614 417 HD1 TRP 48 HD TRP 48 -4.940 -28.924 -7.122 418 HE1 TRP 48 1HE TRP 48 -6.211 -29.446 -9.303 419 HE3 TRP 48 3HE TRP 48 -1.129 -30.845 -9.925 420 HZ2 TRP 48 2HZ TRP 48 -5.681 -30.534 -11.895 421 HZ3 TRP 48 3HZ TRP 48 -1.539 -31.616 -12.246 422 HH2 TRP 48 HH TRP 48 -3.808 -31.462 -13.234 423 HA PRO 49 HA PRO 49 -0.045 -33.582 -4.841 424 HB2 PRO 49 2HB PRO 49 0.609 -34.940 -7.135 425 HB3 PRO 49 1HB PRO 49 -0.851 -35.266 -6.180 426 HG2 PRO 49 2HG PRO 49 -0.544 -33.691 -8.687 427 HG3 PRO 49 1HG PRO 49 -1.838 -34.798 -8.199 428 HD2 PRO 49 2HD PRO 49 -2.092 -32.090 -8.058 429 HD3 PRO 49 1HD PRO 49 -2.923 -33.195 -6.941 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -21.638 11.014 11.197 2 H2 MET 1 2HT MET 1 -23.132 10.909 11.998 3 H3 MET 1 3HT MET 1 -23.011 10.478 10.358 4 HA MET 1 HA MET 1 -22.479 8.923 12.705 5 HB2 MET 1 2HB MET 1 -23.935 8.591 10.478 6 HB3 MET 1 1HB MET 1 -22.439 7.838 9.925 7 HG2 MET 1 2HG MET 1 -22.480 6.521 12.133 8 HG3 MET 1 1HG MET 1 -24.151 7.068 12.292 9 HE1 MET 1 2HE MET 1 -24.614 3.396 11.247 10 HE2 MET 1 3HE MET 1 -24.847 4.644 12.468 11 HE3 MET 1 1HE MET 1 -23.232 3.989 12.164 12 H SER 2 H SER 2 -20.841 9.281 9.546 13 HA SER 2 HA SER 2 -18.230 9.328 10.686 14 HB2 SER 2 2HB SER 2 -18.515 6.991 11.110 15 HB3 SER 2 1HB SER 2 -19.210 6.721 9.514 16 HG SER 2 HG SER 2 -17.178 6.225 9.113 17 H GLU 3 H GLU 3 -20.191 10.323 8.492 18 HA GLU 3 HA GLU 3 -18.105 10.682 6.470 19 HB2 GLU 3 2HB GLU 3 -19.610 8.682 5.883 20 HB3 GLU 3 1HB GLU 3 -20.878 9.880 5.615 21 HG2 GLU 3 2HG GLU 3 -19.278 11.085 4.067 22 HG3 GLU 3 1HG GLU 3 -18.203 9.695 4.207 23 HA PRO 4 HA PRO 4 -20.969 14.319 7.577 24 HB2 PRO 4 2HB PRO 4 -18.926 15.939 8.495 25 HB3 PRO 4 1HB PRO 4 -19.934 14.914 9.535 26 HG2 PRO 4 2HG PRO 4 -17.200 14.418 8.460 27 HG3 PRO 4 1HG PRO 4 -17.868 14.057 10.063 28 HD2 PRO 4 2HD PRO 4 -17.567 12.133 8.187 29 HD3 PRO 4 1HD PRO 4 -18.924 12.113 9.337 30 H ALA 5 H ALA 5 -21.355 15.809 6.028 31 HA ALA 5 HA ALA 5 -19.848 15.920 3.652 32 HB1 ALA 5 1HB ALA 5 -22.344 16.740 4.386 33 HB2 ALA 5 2HB ALA 5 -21.557 17.192 2.874 34 HB3 ALA 5 3HB ALA 5 -21.502 18.285 4.257 35 H SER 6 H SER 6 -19.092 17.140 6.620 36 HA SER 6 HA SER 6 -17.964 19.671 5.892 37 HB2 SER 6 2HB SER 6 -17.339 19.853 8.104 38 HB3 SER 6 1HB SER 6 -18.655 18.691 8.247 39 HG SER 6 HG SER 6 -17.242 17.325 8.963 40 H LEU 7 H LEU 7 -16.801 16.366 6.005 41 HA LEU 7 HA LEU 7 -14.055 16.758 5.985 42 HB2 LEU 7 2HB LEU 7 -15.769 14.596 5.629 43 HB3 LEU 7 1HB LEU 7 -14.867 14.677 4.116 44 HG LEU 7 HG LEU 7 -13.666 14.605 6.901 45 HD11 LEU 7 1HD1 LEU 7 -12.889 12.523 5.020 46 HD12 LEU 7 2HD1 LEU 7 -14.632 12.529 5.289 47 HD13 LEU 7 3HD1 LEU 7 -13.529 12.364 6.655 48 HD21 LEU 7 3HD2 LEU 7 -12.586 15.261 4.219 49 HD22 LEU 7 1HD2 LEU 7 -11.627 14.117 5.158 50 HD23 LEU 7 2HD2 LEU 7 -11.982 15.712 5.816 51 H LEU 8 H LEU 8 -16.250 16.581 3.185 52 HA LEU 8 HA LEU 8 -14.218 17.216 1.287 53 HB2 LEU 8 2HB LEU 8 -17.232 17.388 1.080 54 HB3 LEU 8 1HB LEU 8 -16.116 17.531 -0.277 55 HG LEU 8 HG LEU 8 -15.331 15.185 1.053 56 HD11 LEU 8 1HD1 LEU 8 -17.340 13.883 1.302 57 HD12 LEU 8 2HD1 LEU 8 -18.334 15.184 0.645 58 HD13 LEU 8 3HD1 LEU 8 -17.570 15.367 2.226 59 HD21 LEU 8 3HD2 LEU 8 -16.153 14.101 -1.006 60 HD22 LEU 8 1HD2 LEU 8 -15.336 15.616 -1.388 61 HD23 LEU 8 2HD2 LEU 8 -17.098 15.540 -1.392 62 H THR 9 H THR 9 -16.693 19.081 2.965 63 HA THR 9 HA THR 9 -16.166 21.532 1.614 64 HB THR 9 HB THR 9 -17.249 21.469 4.406 65 HG1 THR 9 1HG THR 9 -19.223 21.083 2.723 66 HG21 THR 9 3HG2 THR 9 -18.296 22.875 1.950 67 HG22 THR 9 1HG2 THR 9 -16.975 23.546 2.906 68 HG23 THR 9 2HG2 THR 9 -18.556 23.291 3.643 69 H ALA 10 H ALA 10 -14.256 19.786 3.666 70 HA ALA 10 HA ALA 10 -12.962 22.173 4.810 71 HB1 ALA 10 1HB ALA 10 -11.870 20.613 6.375 72 HB2 ALA 10 2HB ALA 10 -12.705 19.267 5.599 73 HB3 ALA 10 3HB ALA 10 -13.626 20.499 6.461 74 H SER 11 H SER 11 -12.403 19.287 2.952 75 HA SER 11 HA SER 11 -9.596 19.951 2.530 76 HB2 SER 11 2HB SER 11 -9.885 17.631 2.754 77 HB3 SER 11 1HB SER 11 -11.336 17.621 1.756 78 HG SER 11 HG SER 11 -9.907 18.297 0.005 79 H ASP 12 H ASP 12 -12.431 20.970 1.257 80 HA ASP 12 HA ASP 12 -11.988 20.894 -1.533 81 HB2 ASP 12 2HB ASP 12 -13.802 22.282 0.314 82 HB3 ASP 12 1HB ASP 12 -13.443 23.186 -1.156 83 H LEU 13 H LEU 13 -10.209 22.380 0.807 84 HA LEU 13 HA LEU 13 -9.194 24.414 -1.087 85 HB2 LEU 13 2HB LEU 13 -8.459 25.614 1.083 86 HB3 LEU 13 1HB LEU 13 -10.154 25.706 0.611 87 HG LEU 13 HG LEU 13 -9.472 23.358 2.269 88 HD11 LEU 13 1HD1 LEU 13 -8.061 25.178 3.303 89 HD12 LEU 13 2HD1 LEU 13 -9.331 24.572 4.364 90 HD13 LEU 13 3HD1 LEU 13 -9.539 26.114 3.535 91 HD21 LEU 13 3HD2 LEU 13 -11.768 23.989 1.560 92 HD22 LEU 13 1HD2 LEU 13 -11.610 25.504 2.450 93 HD23 LEU 13 2HD2 LEU 13 -11.609 23.966 3.316 94 H ASP 14 H ASP 14 -8.402 21.576 -0.532 95 HA ASP 14 HA ASP 14 -5.584 21.973 -0.617 96 HB2 ASP 14 2HB ASP 14 -6.214 22.197 1.883 97 HB3 ASP 14 1HB ASP 14 -6.473 20.454 1.820 98 HA PRO 15 HA PRO 15 -7.146 18.008 -2.359 99 HB2 PRO 15 2HB PRO 15 -6.197 18.371 -4.894 100 HB3 PRO 15 1HB PRO 15 -7.756 19.005 -4.337 101 HG2 PRO 15 2HG PRO 15 -5.225 20.420 -4.841 102 HG3 PRO 15 1HG PRO 15 -6.891 21.008 -4.922 103 HD2 PRO 15 2HD PRO 15 -5.057 21.442 -2.811 104 HD3 PRO 15 1HD PRO 15 -6.797 21.800 -2.794 105 H LEU 16 H LEU 16 -4.160 19.355 -1.706 106 HA LEU 16 HA LEU 16 -2.383 17.538 -2.953 107 HB2 LEU 16 2HB LEU 16 -2.101 19.204 -0.446 108 HB3 LEU 16 1HB LEU 16 -0.776 18.308 -1.184 109 HG LEU 16 HG LEU 16 -2.397 20.170 -2.891 110 HD11 LEU 16 1HD1 LEU 16 -0.925 22.040 -2.284 111 HD12 LEU 16 2HD1 LEU 16 -0.121 21.033 -1.080 112 HD13 LEU 16 3HD1 LEU 16 -1.814 21.480 -0.868 113 HD21 LEU 16 3HD2 LEU 16 -0.326 18.518 -3.456 114 HD22 LEU 16 1HD2 LEU 16 0.571 19.968 -3.008 115 HD23 LEU 16 2HD2 LEU 16 -0.604 20.028 -4.320 116 H ILE 17 H ILE 17 -4.153 17.481 0.086 117 HA ILE 17 HA ILE 17 -2.841 15.199 1.179 118 HB ILE 17 HB ILE 17 -5.503 16.519 1.739 119 HG12 ILE 17 2HG1 ILE 17 -3.302 16.267 3.730 120 HG13 ILE 17 1HG1 ILE 17 -3.008 17.347 2.368 121 HG21 ILE 17 1HG2 ILE 17 -4.327 13.962 2.757 122 HG22 ILE 17 2HG2 ILE 17 -6.015 14.382 2.471 123 HG23 ILE 17 3HG2 ILE 17 -5.184 14.999 3.898 124 HD11 ILE 17 3HD1 ILE 17 -4.987 18.634 2.866 125 HD12 ILE 17 1HD1 ILE 17 -4.082 18.460 4.370 126 HD13 ILE 17 2HD1 ILE 17 -5.507 17.462 4.077 127 H LEU 18 H LEU 18 -5.632 15.661 -0.911 128 HA LEU 18 HA LEU 18 -6.632 13.015 -0.778 129 HB2 LEU 18 2HB LEU 18 -6.973 15.348 -2.591 130 HB3 LEU 18 1HB LEU 18 -7.440 13.767 -3.215 131 HG LEU 18 HG LEU 18 -8.347 14.668 -0.487 132 HD11 LEU 18 1HD1 LEU 18 -9.679 15.257 -3.149 133 HD12 LEU 18 2HD1 LEU 18 -9.021 16.450 -2.028 134 HD13 LEU 18 3HD1 LEU 18 -10.430 15.493 -1.570 135 HD21 LEU 18 3HD2 LEU 18 -10.075 13.085 -2.291 136 HD22 LEU 18 1HD2 LEU 18 -9.706 12.838 -0.584 137 HD23 LEU 18 2HD2 LEU 18 -8.579 12.283 -1.821 138 H THR 19 H THR 19 -4.289 14.585 -2.916 139 HA THR 19 HA THR 19 -3.930 12.433 -4.702 140 HB THR 19 HB THR 19 -2.188 14.754 -3.888 141 HG1 THR 19 1HG THR 19 -3.138 14.174 -6.452 142 HG21 THR 19 3HG2 THR 19 -0.915 13.953 -6.058 143 HG22 THR 19 1HG2 THR 19 -1.537 12.373 -5.584 144 HG23 THR 19 2HG2 THR 19 -0.499 13.279 -4.484 145 H LEU 20 H LEU 20 -2.149 13.341 -1.749 146 HA LEU 20 HA LEU 20 -0.296 11.216 -1.848 147 HB2 LEU 20 2HB LEU 20 -1.349 12.894 0.433 148 HB3 LEU 20 1HB LEU 20 -0.094 11.673 0.650 149 HG LEU 20 HG LEU 20 0.263 13.643 -1.566 150 HD11 LEU 20 1HD1 LEU 20 0.439 14.267 1.381 151 HD12 LEU 20 2HD1 LEU 20 -0.310 15.220 0.099 152 HD13 LEU 20 3HD1 LEU 20 1.447 15.115 0.208 153 HD21 LEU 20 3HD2 LEU 20 2.621 13.368 -0.919 154 HD22 LEU 20 1HD2 LEU 20 1.866 11.791 -1.147 155 HD23 LEU 20 2HD2 LEU 20 2.137 12.413 0.481 156 H SER 21 H SER 21 -3.541 11.494 -0.501 157 HA SER 21 HA SER 21 -3.511 8.994 0.877 158 HB2 SER 21 2HB SER 21 -5.169 10.478 1.619 159 HB3 SER 21 1HB SER 21 -5.667 10.890 -0.018 160 HG SER 21 HG SER 21 -6.940 9.288 1.371 161 H LEU 22 H LEU 22 -4.993 10.015 -2.204 162 HA LEU 22 HA LEU 22 -5.975 7.537 -3.007 163 HB2 LEU 22 2HB LEU 22 -5.522 10.101 -4.227 164 HB3 LEU 22 1HB LEU 22 -5.036 8.821 -5.337 165 HG LEU 22 HG LEU 22 -7.237 7.695 -4.936 166 HD11 LEU 22 1HD1 LEU 22 -8.751 9.889 -3.984 167 HD12 LEU 22 2HD1 LEU 22 -7.385 9.719 -2.881 168 HD13 LEU 22 3HD1 LEU 22 -8.462 8.354 -3.165 169 HD21 LEU 22 3HD2 LEU 22 -7.153 10.521 -6.008 170 HD22 LEU 22 1HD2 LEU 22 -8.594 9.512 -6.137 171 HD23 LEU 22 2HD2 LEU 22 -7.093 9.011 -6.915 172 H ILE 23 H ILE 23 -2.722 8.855 -3.225 173 HA ILE 23 HA ILE 23 -1.643 6.924 -4.985 174 HB ILE 23 HB ILE 23 -0.528 8.853 -2.990 175 HG12 ILE 23 2HG1 ILE 23 0.232 8.363 -5.873 176 HG13 ILE 23 1HG1 ILE 23 -1.167 9.342 -5.433 177 HG21 ILE 23 1HG2 ILE 23 0.925 6.502 -4.206 178 HG22 ILE 23 2HG2 ILE 23 0.948 7.062 -2.532 179 HG23 ILE 23 3HG2 ILE 23 1.777 7.986 -3.783 180 HD11 ILE 23 3HD1 ILE 23 0.121 11.034 -4.541 181 HD12 ILE 23 1HD1 ILE 23 1.252 10.432 -5.751 182 HD13 ILE 23 2HD1 ILE 23 1.419 9.941 -4.066 183 H LEU 24 H LEU 24 -1.211 7.156 -1.438 184 HA LEU 24 HA LEU 24 -0.053 4.643 -1.090 185 HB2 LEU 24 2HB LEU 24 -1.557 6.531 0.678 186 HB3 LEU 24 1HB LEU 24 -1.207 4.911 1.277 187 HG LEU 24 HG LEU 24 0.982 6.557 0.022 188 HD11 LEU 24 1HD1 LEU 24 0.263 6.627 2.970 189 HD12 LEU 24 2HD1 LEU 24 -0.139 7.923 1.841 190 HD13 LEU 24 3HD1 LEU 24 1.548 7.526 2.163 191 HD21 LEU 24 3HD2 LEU 24 1.405 4.819 2.387 192 HD22 LEU 24 1HD2 LEU 24 2.363 4.967 0.915 193 HD23 LEU 24 2HD2 LEU 24 0.899 3.986 0.919 194 H VAL 25 H VAL 25 -3.370 5.579 -1.510 195 HA VAL 25 HA VAL 25 -4.533 3.146 -0.564 196 HB VAL 25 HB VAL 25 -5.546 5.362 -2.339 197 HG11 VAL 25 1HG1 VAL 25 -6.813 2.748 -1.547 198 HG12 VAL 25 2HG1 VAL 25 -6.813 3.547 -3.120 199 HG13 VAL 25 3HG1 VAL 25 -7.809 4.180 -1.810 200 HG21 VAL 25 3HG2 VAL 25 -6.620 4.537 0.345 201 HG22 VAL 25 1HG2 VAL 25 -6.660 6.122 -0.429 202 HG23 VAL 25 2HG2 VAL 25 -5.153 5.514 0.256 203 H LEU 26 H LEU 26 -3.955 4.417 -3.849 204 HA LEU 26 HA LEU 26 -4.819 2.190 -5.287 205 HB2 LEU 26 2HB LEU 26 -3.225 4.573 -5.806 206 HB3 LEU 26 1HB LEU 26 -2.684 3.191 -6.758 207 HG LEU 26 HG LEU 26 -5.584 4.038 -6.549 208 HD11 LEU 26 1HD1 LEU 26 -3.364 5.012 -8.261 209 HD12 LEU 26 2HD1 LEU 26 -4.852 5.825 -7.777 210 HD13 LEU 26 3HD1 LEU 26 -4.877 4.649 -9.092 211 HD21 LEU 26 3HD2 LEU 26 -4.312 1.703 -7.519 212 HD22 LEU 26 1HD2 LEU 26 -4.795 2.625 -8.942 213 HD23 LEU 26 2HD2 LEU 26 -5.998 2.169 -7.736 214 H ILE 27 H ILE 27 -1.666 2.886 -3.848 215 HA ILE 27 HA ILE 27 -0.397 0.541 -4.917 216 HB ILE 27 HB ILE 27 0.356 2.487 -2.734 217 HG12 ILE 27 2HG1 ILE 27 1.724 1.936 -5.370 218 HG13 ILE 27 1HG1 ILE 27 0.379 3.070 -5.254 219 HG21 ILE 27 1HG2 ILE 27 1.614 -0.093 -3.607 220 HG22 ILE 27 2HG2 ILE 27 1.499 0.602 -1.990 221 HG23 ILE 27 3HG2 ILE 27 2.659 1.253 -3.149 222 HD11 ILE 27 3HD1 ILE 27 1.633 4.299 -3.468 223 HD12 ILE 27 1HD1 ILE 27 2.465 4.304 -5.022 224 HD13 ILE 27 2HD1 ILE 27 3.001 3.220 -3.739 225 H SER 28 H SER 28 -1.575 1.447 -1.666 226 HA SER 28 HA SER 28 -0.982 -0.913 -0.334 227 HB2 SER 28 2HB SER 28 -1.821 1.075 0.814 228 HB3 SER 28 1HB SER 28 -3.388 0.886 0.031 229 HG SER 28 HG SER 28 -3.395 -1.261 1.043 230 H LEU 29 H LEU 29 -3.765 -0.131 -2.356 231 HA LEU 29 HA LEU 29 -5.232 -2.497 -1.829 232 HB2 LEU 29 2HB LEU 29 -5.439 -0.204 -3.592 233 HB3 LEU 29 1HB LEU 29 -5.868 -1.685 -4.441 234 HG LEU 29 HG LEU 29 -7.827 -0.635 -3.320 235 HD11 LEU 29 1HD1 LEU 29 -7.063 -3.318 -3.296 236 HD12 LEU 29 2HD1 LEU 29 -8.685 -2.699 -2.990 237 HD13 LEU 29 3HD1 LEU 29 -7.592 -3.013 -1.643 238 HD21 LEU 29 3HD2 LEU 29 -7.762 0.053 -1.161 239 HD22 LEU 29 1HD2 LEU 29 -6.014 -0.155 -1.274 240 HD23 LEU 29 2HD2 LEU 29 -7.015 -1.452 -0.624 241 H LEU 30 H LEU 30 -3.032 -1.634 -4.492 242 HA LEU 30 HA LEU 30 -3.229 -4.089 -5.860 243 HB2 LEU 30 2HB LEU 30 -2.233 -1.921 -6.718 244 HB3 LEU 30 1HB LEU 30 -0.793 -2.309 -5.780 245 HG LEU 30 HG LEU 30 -1.357 -4.676 -7.138 246 HD11 LEU 30 1HD1 LEU 30 -1.525 -3.952 -9.508 247 HD12 LEU 30 2HD1 LEU 30 -1.740 -2.287 -8.971 248 HD13 LEU 30 3HD1 LEU 30 -2.957 -3.503 -8.581 249 HD21 LEU 30 3HD2 LEU 30 0.870 -3.751 -6.725 250 HD22 LEU 30 1HD2 LEU 30 0.545 -2.415 -7.830 251 HD23 LEU 30 2HD2 LEU 30 0.673 -4.061 -8.450 252 H LEU 31 H LEU 31 -1.070 -2.989 -3.272 253 HA LEU 31 HA LEU 31 0.697 -5.166 -3.263 254 HB2 LEU 31 2HB LEU 31 1.149 -3.120 -2.017 255 HB3 LEU 31 1HB LEU 31 -0.239 -3.424 -0.974 256 HG LEU 31 HG LEU 31 1.551 -5.724 -1.103 257 HD11 LEU 31 1HD1 LEU 31 3.359 -4.185 -1.340 258 HD12 LEU 31 2HD1 LEU 31 3.285 -4.575 0.378 259 HD13 LEU 31 3HD1 LEU 31 2.630 -3.045 -0.208 260 HD21 LEU 31 3HD2 LEU 31 0.652 -3.963 1.196 261 HD22 LEU 31 1HD2 LEU 31 1.268 -5.613 1.313 262 HD23 LEU 31 2HD2 LEU 31 -0.288 -5.303 0.541 263 H THR 32 H THR 32 -2.379 -4.660 -1.558 264 HA THR 32 HA THR 32 -2.288 -7.127 -0.138 265 HB THR 32 HB THR 32 -4.688 -5.432 -0.870 266 HG1 THR 32 1HG THR 32 -3.571 -5.384 1.656 267 HG21 THR 32 3HG2 THR 32 -5.203 -6.596 1.550 268 HG22 THR 32 1HG2 THR 32 -4.298 -7.876 0.743 269 HG23 THR 32 2HG2 THR 32 -5.764 -7.234 0.005 270 H VAL 33 H VAL 33 -3.763 -6.107 -3.194 271 HA VAL 33 HA VAL 33 -5.229 -8.416 -3.763 272 HB VAL 33 HB VAL 33 -3.891 -6.365 -5.514 273 HG11 VAL 33 1HG1 VAL 33 -3.835 -8.195 -6.974 274 HG12 VAL 33 2HG1 VAL 33 -5.424 -7.504 -7.310 275 HG13 VAL 33 3HG1 VAL 33 -5.280 -8.923 -6.272 276 HG21 VAL 33 3HG2 VAL 33 -6.048 -6.023 -4.075 277 HG22 VAL 33 1HG2 VAL 33 -6.823 -7.021 -5.304 278 HG23 VAL 33 2HG2 VAL 33 -6.061 -5.497 -5.758 279 H LEU 34 H LEU 34 -1.829 -7.648 -4.415 280 HA LEU 34 HA LEU 34 -1.238 -9.995 -5.887 281 HB2 LEU 34 2HB LEU 34 0.476 -8.162 -4.228 282 HB3 LEU 34 1HB LEU 34 1.129 -9.449 -5.245 283 HG LEU 34 HG LEU 34 -0.787 -7.457 -6.434 284 HD11 LEU 34 1HD1 LEU 34 0.725 -5.894 -5.562 285 HD12 LEU 34 2HD1 LEU 34 1.406 -6.230 -7.154 286 HD13 LEU 34 3HD1 LEU 34 2.099 -6.988 -5.720 287 HD21 LEU 34 3HD2 LEU 34 1.632 -8.426 -7.859 288 HD22 LEU 34 1HD2 LEU 34 -0.027 -8.268 -8.437 289 HD23 LEU 34 2HD2 LEU 34 0.439 -9.661 -7.461 290 H ALA 35 H ALA 35 -0.682 -9.171 -2.457 291 HA ALA 35 HA ALA 35 0.458 -11.606 -1.675 292 HB1 ALA 35 1HB ALA 35 0.633 -9.913 -0.075 293 HB2 ALA 35 2HB ALA 35 -0.618 -10.946 0.616 294 HB3 ALA 35 3HB ALA 35 -1.064 -9.460 -0.224 295 H LEU 36 H LEU 36 -2.873 -10.624 -2.097 296 HA LEU 36 HA LEU 36 -3.996 -12.969 -0.871 297 HB2 LEU 36 2HB LEU 36 -5.007 -10.576 -2.238 298 HB3 LEU 36 1HB LEU 36 -5.966 -12.022 -2.548 299 HG LEU 36 HG LEU 36 -6.712 -10.738 -0.516 300 HD11 LEU 36 1HD1 LEU 36 -6.458 -13.490 -0.828 301 HD12 LEU 36 2HD1 LEU 36 -7.400 -12.683 0.423 302 HD13 LEU 36 3HD1 LEU 36 -5.749 -13.196 0.758 303 HD21 LEU 36 3HD2 LEU 36 -4.029 -10.463 -0.040 304 HD22 LEU 36 1HD2 LEU 36 -4.447 -11.757 1.083 305 HD23 LEU 36 2HD2 LEU 36 -5.282 -10.205 1.174 306 H LEU 37 H LEU 37 -3.366 -11.977 -4.206 307 HA LEU 37 HA LEU 37 -4.480 -14.258 -5.443 308 HB2 LEU 37 2HB LEU 37 -3.445 -11.890 -6.324 309 HB3 LEU 37 1HB LEU 37 -2.171 -13.017 -6.785 310 HG LEU 37 HG LEU 37 -5.112 -13.301 -7.475 311 HD11 LEU 37 1HD1 LEU 37 -4.628 -12.490 -9.580 312 HD12 LEU 37 2HD1 LEU 37 -2.943 -13.007 -9.509 313 HD13 LEU 37 3HD1 LEU 37 -3.459 -11.559 -8.643 314 HD21 LEU 37 3HD2 LEU 37 -2.725 -15.080 -7.738 315 HD22 LEU 37 1HD2 LEU 37 -3.875 -15.058 -9.073 316 HD23 LEU 37 2HD2 LEU 37 -4.413 -15.505 -7.455 317 H SER 38 H SER 38 -1.202 -13.500 -4.331 318 HA SER 38 HA SER 38 0.086 -15.790 -5.324 319 HB2 SER 38 2HB SER 38 1.422 -13.976 -4.507 320 HB3 SER 38 1HB SER 38 0.661 -14.046 -2.921 321 HG SER 38 HG SER 38 2.714 -15.514 -3.958 322 H HIS 39 H HIS 39 -1.524 -15.187 -2.212 323 HA HIS 39 HA HIS 39 -0.956 -17.698 -1.050 324 HB2 HIS 39 2HB HIS 39 -2.484 -15.361 -0.393 325 HB3 HIS 39 1HB HIS 39 -3.470 -16.796 -0.100 326 HD2 HIS 39 2HD HIS 39 -0.519 -14.932 1.529 327 HE1 HIS 39 1HE HIS 39 -0.790 -18.675 3.460 328 HE2 HIS 39 2HE HIS 39 0.297 -16.382 3.540 329 H ARG 40 H ARG 40 -3.548 -16.570 -3.153 330 HA ARG 40 HA ARG 40 -5.216 -18.850 -2.928 331 HB2 ARG 40 2HB ARG 40 -5.612 -16.461 -4.008 332 HB3 ARG 40 1HB ARG 40 -5.101 -17.297 -5.475 333 HG2 ARG 40 2HG ARG 40 -6.810 -19.058 -5.026 334 HG3 ARG 40 1HG ARG 40 -7.363 -18.126 -3.634 335 HD2 ARG 40 2HD ARG 40 -7.224 -16.931 -6.404 336 HD3 ARG 40 1HD ARG 40 -8.651 -17.788 -5.828 337 HE ARG 40 HE ARG 40 -7.762 -15.161 -4.997 338 HH11 ARG 40 1HH2 ARG 40 -9.580 -18.000 -4.212 339 HH12 ARG 40 2HH2 ARG 40 -10.628 -17.188 -3.100 340 HH21 ARG 40 1HH1 ARG 40 -9.134 -14.089 -3.539 341 HH22 ARG 40 2HH1 ARG 40 -10.376 -14.974 -2.718 342 H ARG 41 H ARG 41 -2.725 -17.946 -5.308 343 HA ARG 41 HA ARG 41 -2.956 -20.186 -6.974 344 HB2 ARG 41 2HB ARG 41 -1.649 -18.216 -7.606 345 HB3 ARG 41 1HB ARG 41 -0.497 -18.548 -6.313 346 HG2 ARG 41 2HG ARG 41 0.297 -20.511 -7.364 347 HG3 ARG 41 1HG ARG 41 -1.105 -20.608 -8.430 348 HD2 ARG 41 2HD ARG 41 1.293 -19.579 -9.195 349 HD3 ARG 41 1HD ARG 41 -0.245 -19.110 -9.915 350 HE ARG 41 HE ARG 41 0.150 -17.477 -7.679 351 HH11 ARG 41 1HH2 ARG 41 1.631 -18.176 -10.728 352 HH12 ARG 41 2HH2 ARG 41 2.287 -16.587 -10.929 353 HH21 ARG 41 1HH1 ARG 41 1.009 -15.391 -7.937 354 HH22 ARG 41 2HH1 ARG 41 1.937 -15.009 -9.349 355 H THR 42 H THR 42 -1.059 -19.681 -4.027 356 HA THR 42 HA THR 42 0.356 -22.132 -4.107 357 HB THR 42 HB THR 42 0.547 -21.715 -1.583 358 HG1 THR 42 1HG THR 42 -1.395 -20.018 -2.235 359 HG21 THR 42 3HG2 THR 42 1.373 -19.655 -3.638 360 HG22 THR 42 1HG2 THR 42 2.317 -21.025 -3.054 361 HG23 THR 42 2HG2 THR 42 1.977 -19.665 -1.981 362 H LEU 43 H LEU 43 -2.620 -21.180 -2.399 363 HA LEU 43 HA LEU 43 -3.145 -23.612 -1.129 364 HB2 LEU 43 2HB LEU 43 -4.515 -21.148 -1.574 365 HB3 LEU 43 1HB LEU 43 -5.619 -22.467 -1.960 366 HG LEU 43 HG LEU 43 -3.999 -22.299 0.597 367 HD11 LEU 43 1HD1 LEU 43 -5.750 -20.506 0.362 368 HD12 LEU 43 2HD1 LEU 43 -6.052 -21.623 1.691 369 HD13 LEU 43 3HD1 LEU 43 -6.957 -21.778 0.186 370 HD21 LEU 43 3HD2 LEU 43 -6.388 -23.932 0.646 371 HD22 LEU 43 1HD2 LEU 43 -4.721 -24.403 0.977 372 HD23 LEU 43 2HD2 LEU 43 -5.336 -24.441 -0.674 373 H GLN 44 H GLN 44 -4.218 -22.462 -4.328 374 HA GLN 44 HA GLN 44 -5.762 -24.669 -5.047 375 HB2 GLN 44 2HB GLN 44 -4.247 -22.581 -6.560 376 HB3 GLN 44 1HB GLN 44 -4.872 -23.972 -7.446 377 HG2 GLN 44 2HG GLN 44 -6.587 -22.328 -5.574 378 HG3 GLN 44 1HG GLN 44 -6.441 -21.963 -7.293 379 HE21 GLN 44 1HE2 GLN 44 -7.435 -23.444 -8.817 380 HE22 GLN 44 2HE2 GLN 44 -8.492 -24.673 -8.309 381 H GLN 45 H GLN 45 -2.277 -24.105 -5.477 382 HA GLN 45 HA GLN 45 -1.678 -26.449 -6.892 383 HB2 GLN 45 2HB GLN 45 -0.193 -24.386 -6.302 384 HB3 GLN 45 1HB GLN 45 0.210 -25.310 -4.853 385 HG2 GLN 45 2HG GLN 45 0.815 -27.245 -6.343 386 HG3 GLN 45 1HG GLN 45 0.590 -26.181 -7.731 387 HE21 GLN 45 1HE2 GLN 45 3.143 -27.348 -7.145 388 HE22 GLN 45 2HE2 GLN 45 4.204 -26.102 -6.690 389 H LYS 46 H LYS 46 -1.603 -25.817 -3.389 390 HA LYS 46 HA LYS 46 -0.782 -28.364 -2.562 391 HB2 LYS 46 2HB LYS 46 -2.516 -26.302 -1.187 392 HB3 LYS 46 1HB LYS 46 -1.921 -27.761 -0.394 393 HG2 LYS 46 2HG LYS 46 0.381 -27.097 -0.771 394 HG3 LYS 46 1HG LYS 46 -0.134 -25.717 -1.742 395 HD2 LYS 46 2HD LYS 46 -0.813 -24.498 0.094 396 HD3 LYS 46 1HD LYS 46 -1.218 -25.938 1.032 397 HE2 LYS 46 2HE LYS 46 0.825 -24.723 1.865 398 HE3 LYS 46 1HE LYS 46 1.119 -26.409 1.439 399 HZ1 LYS 46 3HZ LYS 46 1.721 -25.456 -0.847 400 HZ2 LYS 46 1HZ LYS 46 2.843 -25.286 0.413 401 HZ3 LYS 46 2HZ LYS 46 1.869 -23.970 -0.038 402 H ILE 47 H ILE 47 -3.991 -27.094 -3.306 403 HA ILE 47 HA ILE 47 -5.386 -29.444 -2.438 404 HB ILE 47 HB ILE 47 -6.259 -27.211 -4.289 405 HG12 ILE 47 2HG1 ILE 47 -5.568 -26.806 -1.768 406 HG13 ILE 47 1HG1 ILE 47 -7.027 -26.064 -2.419 407 HG21 ILE 47 1HG2 ILE 47 -7.752 -28.995 -4.683 408 HG22 ILE 47 2HG2 ILE 47 -8.565 -28.027 -3.452 409 HG23 ILE 47 3HG2 ILE 47 -7.724 -29.510 -2.998 410 HD11 ILE 47 3HD1 ILE 47 -7.143 -28.779 -1.108 411 HD12 ILE 47 1HD1 ILE 47 -8.442 -27.614 -1.352 412 HD13 ILE 47 2HD1 ILE 47 -7.196 -27.308 -0.143 413 H TRP 48 H TRP 48 -4.135 -28.254 -5.516 414 HA TRP 48 HA TRP 48 -5.331 -30.252 -7.129 415 HB2 TRP 48 2HB TRP 48 -3.421 -28.088 -7.468 416 HB3 TRP 48 1HB TRP 48 -2.953 -29.516 -8.393 417 HD1 TRP 48 HD TRP 48 -3.905 -29.441 -10.738 418 HE1 TRP 48 1HE TRP 48 -6.101 -28.635 -11.823 419 HE3 TRP 48 3HE TRP 48 -6.317 -27.628 -6.616 420 HZ2 TRP 48 2HZ TRP 48 -8.555 -27.388 -11.046 421 HZ3 TRP 48 3HZ TRP 48 -8.579 -26.639 -6.817 422 HH2 TRP 48 HH TRP 48 -9.700 -26.516 -9.024 423 HA PRO 49 HA PRO 49 -3.125 -34.031 -6.677 424 HB2 PRO 49 2HB PRO 49 -1.912 -33.554 -9.370 425 HB3 PRO 49 1HB PRO 49 -2.739 -34.992 -8.746 426 HG2 PRO 49 2HG PRO 49 -3.900 -33.221 -10.421 427 HG3 PRO 49 1HG PRO 49 -4.801 -34.181 -9.239 428 HD2 PRO 49 2HD PRO 49 -4.282 -31.297 -9.260 429 HD3 PRO 49 1HD PRO 49 -5.455 -32.218 -8.300 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -21.914 13.008 9.216 2 H2 MET 1 2HT MET 1 -20.593 12.605 10.202 3 H3 MET 1 3HT MET 1 -22.090 12.997 10.903 4 HA MET 1 HA MET 1 -22.272 10.762 11.038 5 HB2 MET 1 2HB MET 1 -23.997 11.669 9.415 6 HB3 MET 1 1HB MET 1 -22.953 11.111 8.107 7 HG2 MET 1 2HG MET 1 -23.118 8.920 9.832 8 HG3 MET 1 1HG MET 1 -24.755 9.578 9.806 9 HE1 MET 1 2HE MET 1 -26.200 7.753 7.959 10 HE2 MET 1 3HE MET 1 -25.045 7.286 9.205 11 HE3 MET 1 1HE MET 1 -24.938 6.582 7.586 12 H SER 2 H SER 2 -21.010 11.172 7.720 13 HA SER 2 HA SER 2 -18.588 9.746 8.286 14 HB2 SER 2 2HB SER 2 -19.438 7.665 8.050 15 HB3 SER 2 1HB SER 2 -20.944 8.269 7.362 16 HG SER 2 HG SER 2 -19.556 7.013 5.919 17 H GLU 3 H GLU 3 -20.688 11.509 6.280 18 HA GLU 3 HA GLU 3 -18.536 11.838 4.275 19 HB2 GLU 3 2HB GLU 3 -21.506 11.588 3.807 20 HB3 GLU 3 1HB GLU 3 -20.381 12.207 2.598 21 HG2 GLU 3 2HG GLU 3 -19.962 9.542 3.956 22 HG3 GLU 3 1HG GLU 3 -20.913 9.701 2.481 23 HA PRO 4 HA PRO 4 -20.117 15.853 6.241 24 HB2 PRO 4 2HB PRO 4 -17.666 16.616 7.250 25 HB3 PRO 4 1HB PRO 4 -18.886 15.717 8.173 26 HG2 PRO 4 2HG PRO 4 -16.453 14.716 6.779 27 HG3 PRO 4 1HG PRO 4 -17.139 14.236 8.343 28 HD2 PRO 4 2HD PRO 4 -17.467 12.738 6.112 29 HD3 PRO 4 1HD PRO 4 -18.713 12.829 7.375 30 H ALA 5 H ALA 5 -19.964 17.778 5.152 31 HA ALA 5 HA ALA 5 -18.754 17.889 2.631 32 HB1 ALA 5 1HB ALA 5 -20.533 19.467 4.060 33 HB2 ALA 5 2HB ALA 5 -19.927 19.803 2.439 34 HB3 ALA 5 3HB ALA 5 -19.130 20.513 3.843 35 H SER 6 H SER 6 -17.319 18.053 5.622 36 HA SER 6 HA SER 6 -15.350 20.019 5.392 37 HB2 SER 6 2HB SER 6 -15.225 17.305 6.721 38 HB3 SER 6 1HB SER 6 -14.000 18.555 6.915 39 HG SER 6 HG SER 6 -16.423 19.622 7.278 40 H LEU 7 H LEU 7 -15.529 16.790 4.005 41 HA LEU 7 HA LEU 7 -12.829 16.725 3.073 42 HB2 LEU 7 2HB LEU 7 -14.847 14.874 3.305 43 HB3 LEU 7 1HB LEU 7 -14.795 15.142 1.564 44 HG LEU 7 HG LEU 7 -12.398 14.463 3.298 45 HD11 LEU 7 1HD1 LEU 7 -14.439 12.804 2.221 46 HD12 LEU 7 2HD1 LEU 7 -12.940 12.307 3.006 47 HD13 LEU 7 3HD1 LEU 7 -12.985 12.537 1.259 48 HD21 LEU 7 3HD2 LEU 7 -11.695 13.955 0.711 49 HD22 LEU 7 1HD2 LEU 7 -11.343 15.471 1.535 50 HD23 LEU 7 2HD2 LEU 7 -12.753 15.346 0.486 51 H LEU 8 H LEU 8 -15.935 17.246 1.396 52 HA LEU 8 HA LEU 8 -14.931 17.790 -1.124 53 HB2 LEU 8 2HB LEU 8 -17.393 18.685 0.342 54 HB3 LEU 8 1HB LEU 8 -17.057 19.311 -1.270 55 HG LEU 8 HG LEU 8 -18.502 17.251 -1.253 56 HD11 LEU 8 1HD1 LEU 8 -16.399 17.911 -2.953 57 HD12 LEU 8 2HD1 LEU 8 -17.648 16.717 -3.286 58 HD13 LEU 8 3HD1 LEU 8 -16.112 16.213 -2.585 59 HD21 LEU 8 3HD2 LEU 8 -17.243 16.233 0.712 60 HD22 LEU 8 1HD2 LEU 8 -15.973 15.804 -0.434 61 HD23 LEU 8 2HD2 LEU 8 -17.593 15.132 -0.615 62 H THR 9 H THR 9 -15.001 19.788 1.703 63 HA THR 9 HA THR 9 -14.343 22.219 0.303 64 HB THR 9 HB THR 9 -13.897 21.868 3.234 65 HG1 THR 9 1HG THR 9 -16.417 22.602 2.648 66 HG21 THR 9 3HG2 THR 9 -15.363 24.115 1.910 67 HG22 THR 9 1HG2 THR 9 -13.615 24.012 1.701 68 HG23 THR 9 2HG2 THR 9 -14.304 24.146 3.319 69 H ALA 10 H ALA 10 -12.605 20.172 2.604 70 HA ALA 10 HA ALA 10 -10.115 21.394 2.407 71 HB1 ALA 10 1HB ALA 10 -10.967 19.452 3.960 72 HB2 ALA 10 2HB ALA 10 -9.253 19.574 3.562 73 HB3 ALA 10 3HB ALA 10 -10.278 18.425 2.704 74 H SER 11 H SER 11 -11.797 19.659 0.080 75 HA SER 11 HA SER 11 -9.565 18.592 -1.372 76 HB2 SER 11 2HB SER 11 -11.489 17.443 -1.931 77 HB3 SER 11 1HB SER 11 -12.491 18.891 -1.874 78 HG SER 11 HG SER 11 -11.158 19.548 -3.775 79 H ASP 12 H ASP 12 -10.630 21.683 -0.884 80 HA ASP 12 HA ASP 12 -9.426 22.623 -3.400 81 HB2 ASP 12 2HB ASP 12 -11.954 23.282 -2.174 82 HB3 ASP 12 1HB ASP 12 -10.952 24.720 -2.365 83 H LEU 13 H LEU 13 -9.727 23.095 0.028 84 HA LEU 13 HA LEU 13 -7.933 25.355 0.133 85 HB2 LEU 13 2HB LEU 13 -8.496 23.578 2.485 86 HB3 LEU 13 1HB LEU 13 -8.246 25.324 2.446 87 HG LEU 13 HG LEU 13 -10.648 23.810 1.411 88 HD11 LEU 13 1HD1 LEU 13 -11.844 25.151 3.123 89 HD12 LEU 13 2HD1 LEU 13 -10.307 25.861 3.621 90 HD13 LEU 13 3HD1 LEU 13 -10.599 24.138 3.853 91 HD21 LEU 13 3HD2 LEU 13 -11.485 26.244 1.061 92 HD22 LEU 13 1HD2 LEU 13 -10.365 25.587 -0.131 93 HD23 LEU 13 2HD2 LEU 13 -9.780 26.685 1.116 94 H ASP 14 H ASP 14 -7.593 21.932 0.051 95 HA ASP 14 HA ASP 14 -4.738 22.105 -0.169 96 HB2 ASP 14 2HB ASP 14 -5.343 22.268 2.379 97 HB3 ASP 14 1HB ASP 14 -5.539 20.526 2.237 98 HA PRO 15 HA PRO 15 -6.673 18.311 -1.927 99 HB2 PRO 15 2HB PRO 15 -5.812 18.678 -4.485 100 HB3 PRO 15 1HB PRO 15 -7.297 19.407 -3.846 101 HG2 PRO 15 2HG PRO 15 -4.685 20.641 -4.425 102 HG3 PRO 15 1HG PRO 15 -6.301 21.359 -4.427 103 HD2 PRO 15 2HD PRO 15 -4.359 21.587 -2.386 104 HD3 PRO 15 1HD PRO 15 -6.063 22.079 -2.281 105 H LEU 16 H LEU 16 -3.561 19.450 -1.427 106 HA LEU 16 HA LEU 16 -1.959 17.578 -2.793 107 HB2 LEU 16 2HB LEU 16 -1.571 19.675 -0.916 108 HB3 LEU 16 1HB LEU 16 -0.784 18.238 -0.263 109 HG LEU 16 HG LEU 16 -0.388 19.274 -3.085 110 HD11 LEU 16 1HD1 LEU 16 0.846 19.987 -0.521 111 HD12 LEU 16 2HD1 LEU 16 0.924 20.816 -2.077 112 HD13 LEU 16 3HD1 LEU 16 2.015 19.473 -1.738 113 HD21 LEU 16 3HD2 LEU 16 0.138 16.762 -1.854 114 HD22 LEU 16 1HD2 LEU 16 1.692 17.571 -2.064 115 HD23 LEU 16 2HD2 LEU 16 0.641 17.301 -3.455 116 H ILE 17 H ILE 17 -3.642 17.434 0.291 117 HA ILE 17 HA ILE 17 -2.445 15.056 1.259 118 HB ILE 17 HB ILE 17 -5.203 16.185 1.801 119 HG12 ILE 17 2HG1 ILE 17 -2.731 16.421 3.523 120 HG13 ILE 17 1HG1 ILE 17 -3.099 17.613 2.275 121 HG21 ILE 17 1HG2 ILE 17 -4.293 14.826 4.043 122 HG22 ILE 17 2HG2 ILE 17 -3.787 13.787 2.710 123 HG23 ILE 17 3HG2 ILE 17 -5.487 14.223 2.892 124 HD11 ILE 17 3HD1 ILE 17 -3.972 18.189 4.585 125 HD12 ILE 17 1HD1 ILE 17 -5.068 16.817 4.432 126 HD13 ILE 17 2HD1 ILE 17 -5.194 18.174 3.313 127 H LEU 18 H LEU 18 -5.339 15.654 -0.710 128 HA LEU 18 HA LEU 18 -6.269 13.003 -0.804 129 HB2 LEU 18 2HB LEU 18 -6.609 15.411 -2.560 130 HB3 LEU 18 1HB LEU 18 -7.251 13.855 -3.079 131 HG LEU 18 HG LEU 18 -8.885 15.285 -1.781 132 HD11 LEU 18 1HD1 LEU 18 -8.478 12.544 -1.692 133 HD12 LEU 18 2HD1 LEU 18 -9.890 13.380 -1.054 134 HD13 LEU 18 3HD1 LEU 18 -8.545 12.983 0.011 135 HD21 LEU 18 3HD2 LEU 18 -7.224 14.559 0.636 136 HD22 LEU 18 1HD2 LEU 18 -8.561 15.701 0.532 137 HD23 LEU 18 2HD2 LEU 18 -7.012 16.093 -0.209 138 H THR 19 H THR 19 -3.980 14.746 -2.841 139 HA THR 19 HA THR 19 -3.637 12.761 -4.808 140 HB THR 19 HB THR 19 -1.182 14.198 -4.254 141 HG1 THR 19 1HG THR 19 -2.667 15.605 -3.199 142 HG21 THR 19 3HG2 THR 19 -2.007 13.257 -6.441 143 HG22 THR 19 1HG2 THR 19 -1.504 14.946 -6.527 144 HG23 THR 19 2HG2 THR 19 -3.219 14.537 -6.469 145 H LEU 20 H LEU 20 -1.844 13.392 -1.798 146 HA LEU 20 HA LEU 20 -0.020 11.240 -2.115 147 HB2 LEU 20 2HB LEU 20 -0.773 13.130 0.035 148 HB3 LEU 20 1HB LEU 20 -0.067 11.604 0.568 149 HG LEU 20 HG LEU 20 1.856 11.960 -0.941 150 HD11 LEU 20 1HD1 LEU 20 1.080 13.221 -2.749 151 HD12 LEU 20 2HD1 LEU 20 1.968 14.435 -1.829 152 HD13 LEU 20 3HD1 LEU 20 0.212 14.353 -1.715 153 HD21 LEU 20 3HD2 LEU 20 2.350 12.785 1.184 154 HD22 LEU 20 1HD2 LEU 20 1.110 14.037 1.099 155 HD23 LEU 20 2HD2 LEU 20 2.610 14.218 0.188 156 H SER 21 H SER 21 -3.200 11.516 -0.645 157 HA SER 21 HA SER 21 -3.164 8.981 0.661 158 HB2 SER 21 2HB SER 21 -5.581 9.309 0.894 159 HB3 SER 21 1HB SER 21 -4.716 10.790 1.298 160 HG SER 21 HG SER 21 -6.279 10.157 -0.940 161 H LEU 22 H LEU 22 -4.567 10.108 -2.414 162 HA LEU 22 HA LEU 22 -5.738 7.729 -3.256 163 HB2 LEU 22 2HB LEU 22 -5.099 10.247 -4.412 164 HB3 LEU 22 1HB LEU 22 -4.493 9.004 -5.504 165 HG LEU 22 HG LEU 22 -6.714 7.881 -5.419 166 HD11 LEU 22 1HD1 LEU 22 -8.049 8.411 -3.679 167 HD12 LEU 22 2HD1 LEU 22 -8.392 9.926 -4.511 168 HD13 LEU 22 3HD1 LEU 22 -7.106 9.854 -3.308 169 HD21 LEU 22 3HD2 LEU 22 -6.362 10.698 -6.381 170 HD22 LEU 22 1HD2 LEU 22 -7.956 9.957 -6.512 171 HD23 LEU 22 2HD2 LEU 22 -6.571 9.218 -7.315 172 H ILE 23 H ILE 23 -2.390 8.817 -3.719 173 HA ILE 23 HA ILE 23 -1.509 6.625 -5.243 174 HB ILE 23 HB ILE 23 -0.243 8.742 -3.597 175 HG12 ILE 23 2HG1 ILE 23 1.013 9.099 -5.630 176 HG13 ILE 23 1HG1 ILE 23 0.517 7.533 -6.274 177 HG21 ILE 23 1HG2 ILE 23 0.988 6.909 -2.660 178 HG22 ILE 23 2HG2 ILE 23 2.003 7.576 -3.934 179 HG23 ILE 23 3HG2 ILE 23 1.096 6.096 -4.224 180 HD11 ILE 23 3HD1 ILE 23 -1.612 9.486 -5.501 181 HD12 ILE 23 1HD1 ILE 23 -1.634 8.271 -6.773 182 HD13 ILE 23 2HD1 ILE 23 -0.735 9.763 -7.000 183 H LEU 24 H LEU 24 -1.238 7.143 -1.725 184 HA LEU 24 HA LEU 24 -0.139 4.635 -1.132 185 HB2 LEU 24 2HB LEU 24 -1.541 6.775 0.388 186 HB3 LEU 24 1HB LEU 24 -1.468 5.182 1.142 187 HG LEU 24 HG LEU 24 1.014 6.388 -0.054 188 HD11 LEU 24 1HD1 LEU 24 0.195 8.138 1.415 189 HD12 LEU 24 2HD1 LEU 24 1.511 7.300 2.237 190 HD13 LEU 24 3HD1 LEU 24 -0.163 6.964 2.683 191 HD21 LEU 24 3HD2 LEU 24 0.532 3.956 0.993 192 HD22 LEU 24 1HD2 LEU 24 0.923 4.820 2.479 193 HD23 LEU 24 2HD2 LEU 24 2.092 4.758 1.160 194 H VAL 25 H VAL 25 -3.456 5.676 -1.541 195 HA VAL 25 HA VAL 25 -4.703 3.331 -0.536 196 HB VAL 25 HB VAL 25 -5.669 5.395 -2.525 197 HG11 VAL 25 1HG1 VAL 25 -7.206 3.764 -2.983 198 HG12 VAL 25 2HG1 VAL 25 -7.912 4.301 -1.458 199 HG13 VAL 25 3HG1 VAL 25 -6.864 2.883 -1.494 200 HG21 VAL 25 3HG2 VAL 25 -5.233 5.500 0.254 201 HG22 VAL 25 1HG2 VAL 25 -6.973 5.281 0.064 202 HG23 VAL 25 2HG2 VAL 25 -6.166 6.644 -0.712 203 H LEU 26 H LEU 26 -3.955 4.377 -3.867 204 HA LEU 26 HA LEU 26 -4.870 2.047 -5.142 205 HB2 LEU 26 2HB LEU 26 -3.142 4.345 -5.849 206 HB3 LEU 26 1HB LEU 26 -2.893 2.884 -6.807 207 HG LEU 26 HG LEU 26 -5.684 3.888 -6.298 208 HD11 LEU 26 1HD1 LEU 26 -4.607 5.842 -7.181 209 HD12 LEU 26 2HD1 LEU 26 -5.459 5.081 -8.523 210 HD13 LEU 26 3HD1 LEU 26 -3.713 4.888 -8.366 211 HD21 LEU 26 3HD2 LEU 26 -4.618 2.632 -8.811 212 HD22 LEU 26 1HD2 LEU 26 -6.235 2.531 -8.117 213 HD23 LEU 26 2HD2 LEU 26 -4.909 1.615 -7.404 214 H ILE 27 H ILE 27 -1.720 2.881 -3.778 215 HA ILE 27 HA ILE 27 -0.379 0.538 -4.705 216 HB ILE 27 HB ILE 27 0.222 2.548 -2.535 217 HG12 ILE 27 2HG1 ILE 27 1.639 1.903 -5.138 218 HG13 ILE 27 1HG1 ILE 27 0.418 3.167 -4.979 219 HG21 ILE 27 1HG2 ILE 27 1.405 0.798 -1.622 220 HG22 ILE 27 2HG2 ILE 27 2.576 1.264 -2.854 221 HG23 ILE 27 3HG2 ILE 27 1.486 -0.086 -3.145 222 HD11 ILE 27 3HD1 ILE 27 3.082 3.003 -3.546 223 HD12 ILE 27 1HD1 ILE 27 1.825 4.167 -3.131 224 HD13 ILE 27 2HD1 ILE 27 2.579 4.216 -4.725 225 H SER 28 H SER 28 -1.810 1.449 -1.570 226 HA SER 28 HA SER 28 -1.231 -0.883 -0.159 227 HB2 SER 28 2HB SER 28 -2.167 1.121 0.903 228 HB3 SER 28 1HB SER 28 -3.686 0.873 0.050 229 HG SER 28 HG SER 28 -2.576 -0.504 2.202 230 H LEU 29 H LEU 29 -4.045 -0.131 -2.183 231 HA LEU 29 HA LEU 29 -5.443 -2.541 -1.770 232 HB2 LEU 29 2HB LEU 29 -6.214 -0.351 -2.930 233 HB3 LEU 29 1HB LEU 29 -5.506 -1.054 -4.385 234 HG LEU 29 HG LEU 29 -6.899 -3.186 -3.606 235 HD11 LEU 29 1HD1 LEU 29 -8.822 -1.060 -2.747 236 HD12 LEU 29 2HD1 LEU 29 -7.632 -1.628 -1.576 237 HD13 LEU 29 3HD1 LEU 29 -8.767 -2.766 -2.302 238 HD21 LEU 29 3HD2 LEU 29 -7.988 -0.732 -5.016 239 HD22 LEU 29 1HD2 LEU 29 -8.800 -2.299 -5.020 240 HD23 LEU 29 2HD2 LEU 29 -7.207 -2.129 -5.760 241 H LEU 30 H LEU 30 -3.221 -1.595 -4.397 242 HA LEU 30 HA LEU 30 -3.272 -3.988 -5.833 243 HB2 LEU 30 2HB LEU 30 -2.160 -1.768 -6.463 244 HB3 LEU 30 1HB LEU 30 -0.793 -2.303 -5.485 245 HG LEU 30 HG LEU 30 -1.243 -4.537 -6.980 246 HD11 LEU 30 1HD1 LEU 30 -3.011 -3.115 -8.218 247 HD12 LEU 30 2HD1 LEU 30 -1.840 -3.991 -9.203 248 HD13 LEU 30 3HD1 LEU 30 -1.638 -2.261 -8.923 249 HD21 LEU 30 3HD2 LEU 30 0.641 -3.667 -8.424 250 HD22 LEU 30 1HD2 LEU 30 0.936 -3.525 -6.691 251 HD23 LEU 30 2HD2 LEU 30 0.456 -2.107 -7.622 252 H LEU 31 H LEU 31 -1.141 -3.014 -3.146 253 HA LEU 31 HA LEU 31 0.489 -5.277 -3.097 254 HB2 LEU 31 2HB LEU 31 0.962 -3.241 -1.802 255 HB3 LEU 31 1HB LEU 31 -0.431 -3.569 -0.771 256 HG LEU 31 HG LEU 31 1.341 -5.880 -1.001 257 HD11 LEU 31 1HD1 LEU 31 3.145 -4.897 0.409 258 HD12 LEU 31 2HD1 LEU 31 2.421 -3.304 0.184 259 HD13 LEU 31 3HD1 LEU 31 3.086 -4.175 -1.199 260 HD21 LEU 31 3HD2 LEU 31 0.995 -5.951 1.376 261 HD22 LEU 31 1HD2 LEU 31 -0.530 -5.428 0.658 262 HD23 LEU 31 2HD2 LEU 31 0.536 -4.248 1.419 263 H THR 32 H THR 32 -2.608 -4.646 -1.477 264 HA THR 32 HA THR 32 -2.696 -7.140 -0.095 265 HB THR 32 HB THR 32 -5.234 -5.769 -0.817 266 HG1 THR 32 1HG THR 32 -3.316 -4.642 0.939 267 HG21 THR 32 3HG2 THR 32 -4.016 -6.663 1.810 268 HG22 THR 32 1HG2 THR 32 -5.077 -7.651 0.807 269 HG23 THR 32 2HG2 THR 32 -5.688 -6.172 1.547 270 H VAL 33 H VAL 33 -4.030 -5.987 -3.168 271 HA VAL 33 HA VAL 33 -5.586 -8.215 -3.826 272 HB VAL 33 HB VAL 33 -4.047 -6.348 -5.648 273 HG11 VAL 33 1HG1 VAL 33 -6.017 -8.555 -6.132 274 HG12 VAL 33 2HG1 VAL 33 -4.601 -8.093 -7.078 275 HG13 VAL 33 3HG1 VAL 33 -6.074 -7.127 -7.165 276 HG21 VAL 33 3HG2 VAL 33 -5.759 -4.872 -5.392 277 HG22 VAL 33 1HG2 VAL 33 -6.104 -5.767 -3.913 278 HG23 VAL 33 2HG2 VAL 33 -6.977 -6.148 -5.397 279 H LEU 34 H LEU 34 -2.129 -7.591 -4.271 280 HA LEU 34 HA LEU 34 -1.583 -9.891 -5.850 281 HB2 LEU 34 2HB LEU 34 0.107 -8.154 -4.073 282 HB3 LEU 34 1HB LEU 34 0.790 -9.501 -4.985 283 HG LEU 34 HG LEU 34 -0.925 -7.521 -6.443 284 HD11 LEU 34 1HD1 LEU 34 0.450 -5.862 -5.647 285 HD12 LEU 34 2HD1 LEU 34 1.510 -6.472 -6.917 286 HD13 LEU 34 3HD1 LEU 34 1.752 -6.983 -5.246 287 HD21 LEU 34 3HD2 LEU 34 0.278 -9.768 -7.254 288 HD22 LEU 34 1HD2 LEU 34 1.648 -8.675 -7.437 289 HD23 LEU 34 2HD2 LEU 34 0.150 -8.365 -8.312 290 H ALA 35 H ALA 35 -1.117 -9.261 -2.367 291 HA ALA 35 HA ALA 35 -0.205 -11.810 -1.651 292 HB1 ALA 35 1HB ALA 35 -1.932 -10.574 0.360 293 HB2 ALA 35 2HB ALA 35 -0.746 -9.454 -0.311 294 HB3 ALA 35 3HB ALA 35 -0.212 -10.961 0.435 295 H LEU 36 H LEU 36 -3.417 -10.596 -2.270 296 HA LEU 36 HA LEU 36 -4.861 -12.754 -1.077 297 HB2 LEU 36 2HB LEU 36 -5.705 -10.422 -1.873 298 HB3 LEU 36 1HB LEU 36 -5.887 -11.208 -3.440 299 HG LEU 36 HG LEU 36 -7.040 -13.075 -1.837 300 HD11 LEU 36 1HD1 LEU 36 -8.055 -10.500 -0.665 301 HD12 LEU 36 2HD1 LEU 36 -6.657 -11.297 0.058 302 HD13 LEU 36 3HD1 LEU 36 -8.201 -12.139 -0.035 303 HD21 LEU 36 3HD2 LEU 36 -8.368 -10.611 -3.009 304 HD22 LEU 36 1HD2 LEU 36 -9.199 -12.106 -2.576 305 HD23 LEU 36 2HD2 LEU 36 -8.008 -12.104 -3.878 306 H LEU 37 H LEU 37 -4.012 -12.072 -4.475 307 HA LEU 37 HA LEU 37 -5.035 -14.485 -5.531 308 HB2 LEU 37 2HB LEU 37 -2.998 -12.486 -6.486 309 HB3 LEU 37 1HB LEU 37 -3.316 -13.962 -7.399 310 HG LEU 37 HG LEU 37 -5.716 -12.467 -6.511 311 HD11 LEU 37 1HD1 LEU 37 -3.683 -11.353 -8.437 312 HD12 LEU 37 2HD1 LEU 37 -4.545 -10.522 -7.142 313 HD13 LEU 37 3HD1 LEU 37 -5.397 -10.980 -8.616 314 HD21 LEU 37 3HD2 LEU 37 -5.809 -14.495 -7.927 315 HD22 LEU 37 1HD2 LEU 37 -4.835 -13.681 -9.151 316 HD23 LEU 37 2HD2 LEU 37 -6.456 -13.095 -8.780 317 H SER 38 H SER 38 -1.810 -13.586 -4.356 318 HA SER 38 HA SER 38 -0.430 -15.912 -5.076 319 HB2 SER 38 2HB SER 38 1.061 -14.383 -4.279 320 HB3 SER 38 1HB SER 38 -0.067 -13.752 -3.082 321 HG SER 38 HG SER 38 1.420 -16.170 -2.981 322 H HIS 39 H HIS 39 -2.266 -15.172 -2.121 323 HA HIS 39 HA HIS 39 -1.733 -17.584 -0.767 324 HB2 HIS 39 2HB HIS 39 -3.805 -15.444 -0.575 325 HB3 HIS 39 1HB HIS 39 -4.113 -16.969 0.253 326 HD2 HIS 39 2HD HIS 39 -2.910 -13.866 1.539 327 HE1 HIS 39 1HE HIS 39 0.040 -16.511 2.996 328 HE2 HIS 39 2HE HIS 39 -0.956 -14.188 3.241 329 H ARG 40 H ARG 40 -4.392 -16.654 -2.931 330 HA ARG 40 HA ARG 40 -5.793 -19.115 -2.740 331 HB2 ARG 40 2HB ARG 40 -5.999 -16.647 -4.254 332 HB3 ARG 40 1HB ARG 40 -6.363 -18.050 -5.259 333 HG2 ARG 40 2HG ARG 40 -7.970 -18.848 -3.557 334 HG3 ARG 40 1HG ARG 40 -7.619 -17.430 -2.569 335 HD2 ARG 40 2HD ARG 40 -8.191 -16.322 -5.034 336 HD3 ARG 40 1HD ARG 40 -9.314 -17.675 -4.950 337 HE ARG 40 HE ARG 40 -9.556 -16.459 -2.507 338 HH11 ARG 40 1HH2 ARG 40 -9.738 -15.451 -5.811 339 HH12 ARG 40 2HH2 ARG 40 -10.887 -14.191 -5.509 340 HH21 ARG 40 1HH1 ARG 40 -11.063 -14.808 -2.101 341 HH22 ARG 40 2HH1 ARG 40 -11.636 -13.826 -3.407 342 H ARG 41 H ARG 41 -3.194 -17.965 -4.814 343 HA ARG 41 HA ARG 41 -3.293 -20.093 -6.696 344 HB2 ARG 41 2HB ARG 41 -1.545 -17.829 -6.089 345 HB3 ARG 41 1HB ARG 41 -0.660 -19.245 -6.656 346 HG2 ARG 41 2HG ARG 41 -2.151 -19.400 -8.616 347 HG3 ARG 41 1HG ARG 41 -3.040 -17.984 -8.052 348 HD2 ARG 41 2HD ARG 41 -0.475 -17.043 -8.009 349 HD3 ARG 41 1HD ARG 41 -0.403 -18.153 -9.373 350 HE ARG 41 HE ARG 41 -2.712 -16.447 -9.484 351 HH11 ARG 41 1HH2 ARG 41 0.692 -16.679 -10.068 352 HH12 ARG 41 2HH2 ARG 41 0.703 -15.465 -11.302 353 HH21 ARG 41 1HH1 ARG 41 -2.704 -14.853 -11.102 354 HH22 ARG 41 2HH1 ARG 41 -1.219 -14.430 -11.888 355 H THR 42 H THR 42 -1.316 -19.534 -3.789 356 HA THR 42 HA THR 42 0.214 -21.892 -3.947 357 HB THR 42 HB THR 42 -0.597 -20.748 -1.299 358 HG1 THR 42 1HG THR 42 0.818 -19.491 -3.375 359 HG21 THR 42 3HG2 THR 42 1.036 -22.636 -1.532 360 HG22 THR 42 1HG2 THR 42 1.726 -21.203 -0.768 361 HG23 THR 42 2HG2 THR 42 2.081 -21.562 -2.459 362 H LEU 43 H LEU 43 -2.903 -21.215 -2.398 363 HA LEU 43 HA LEU 43 -3.234 -23.691 -1.109 364 HB2 LEU 43 2HB LEU 43 -4.781 -21.342 -1.549 365 HB3 LEU 43 1HB LEU 43 -5.768 -22.726 -2.025 366 HG LEU 43 HG LEU 43 -4.272 -22.540 0.608 367 HD11 LEU 43 1HD1 LEU 43 -6.806 -22.405 1.372 368 HD12 LEU 43 2HD1 LEU 43 -7.015 -21.688 -0.226 369 HD13 LEU 43 3HD1 LEU 43 -5.915 -20.947 0.937 370 HD21 LEU 43 3HD2 LEU 43 -5.341 -24.731 -0.768 371 HD22 LEU 43 1HD2 LEU 43 -6.585 -24.309 0.408 372 HD23 LEU 43 2HD2 LEU 43 -4.947 -24.673 0.949 373 H GLN 44 H GLN 44 -4.121 -22.622 -4.373 374 HA GLN 44 HA GLN 44 -5.457 -25.011 -5.124 375 HB2 GLN 44 2HB GLN 44 -4.298 -22.668 -6.585 376 HB3 GLN 44 1HB GLN 44 -4.773 -24.100 -7.496 377 HG2 GLN 44 2HG GLN 44 -6.694 -23.047 -5.468 378 HG3 GLN 44 1HG GLN 44 -6.515 -22.146 -6.971 379 HE21 GLN 44 1HE2 GLN 44 -6.133 -25.679 -6.748 380 HE22 GLN 44 2HE2 GLN 44 -7.509 -26.049 -7.670 381 H GLN 45 H GLN 45 -2.100 -23.938 -5.331 382 HA GLN 45 HA GLN 45 -1.159 -26.087 -6.933 383 HB2 GLN 45 2HB GLN 45 0.039 -23.903 -6.501 384 HB3 GLN 45 1HB GLN 45 0.444 -24.527 -4.902 385 HG2 GLN 45 2HG GLN 45 2.315 -25.174 -6.133 386 HG3 GLN 45 1HG GLN 45 1.312 -26.616 -6.251 387 HE21 GLN 45 1HE2 GLN 45 0.621 -27.258 -8.332 388 HE22 GLN 45 2HE2 GLN 45 0.931 -26.365 -9.741 389 H LYS 46 H LYS 46 -1.436 -25.599 -3.437 390 HA LYS 46 HA LYS 46 -0.042 -27.877 -2.581 391 HB2 LYS 46 2HB LYS 46 -1.583 -25.843 -1.389 392 HB3 LYS 46 1HB LYS 46 -2.327 -27.366 -0.899 393 HG2 LYS 46 2HG LYS 46 -0.151 -28.206 -0.134 394 HG3 LYS 46 1HG LYS 46 0.626 -26.713 -0.662 395 HD2 LYS 46 2HD LYS 46 -0.061 -25.576 1.173 396 HD3 LYS 46 1HD LYS 46 -1.686 -26.259 1.090 397 HE2 LYS 46 2HE LYS 46 -0.330 -26.916 3.143 398 HE3 LYS 46 1HE LYS 46 -1.003 -28.258 2.218 399 HZ1 LYS 46 3HZ LYS 46 1.453 -27.666 1.086 400 HZ2 LYS 46 1HZ LYS 46 1.046 -29.031 2.007 401 HZ3 LYS 46 2HZ LYS 46 1.704 -27.660 2.767 402 H ILE 47 H ILE 47 -3.502 -27.443 -3.313 403 HA ILE 47 HA ILE 47 -4.258 -30.114 -2.736 404 HB ILE 47 HB ILE 47 -5.534 -28.050 -4.547 405 HG12 ILE 47 2HG1 ILE 47 -6.458 -28.917 -1.810 406 HG13 ILE 47 1HG1 ILE 47 -5.219 -27.673 -1.982 407 HG21 ILE 47 1HG2 ILE 47 -6.491 -30.734 -3.525 408 HG22 ILE 47 2HG2 ILE 47 -6.382 -30.195 -5.200 409 HG23 ILE 47 3HG2 ILE 47 -7.591 -29.493 -4.125 410 HD11 ILE 47 3HD1 ILE 47 -7.935 -27.577 -3.326 411 HD12 ILE 47 1HD1 ILE 47 -6.709 -26.309 -3.342 412 HD13 ILE 47 2HD1 ILE 47 -7.529 -26.727 -1.836 413 H TRP 48 H TRP 48 -3.289 -28.484 -5.735 414 HA TRP 48 HA TRP 48 -3.649 -30.841 -7.323 415 HB2 TRP 48 2HB TRP 48 -2.985 -28.048 -7.779 416 HB3 TRP 48 1HB TRP 48 -1.994 -29.126 -8.761 417 HD1 TRP 48 HD TRP 48 -5.728 -29.196 -7.719 418 HE1 TRP 48 1HE TRP 48 -7.137 -29.633 -9.833 419 HE3 TRP 48 3HE TRP 48 -2.016 -29.425 -11.220 420 HZ2 TRP 48 2HZ TRP 48 -6.741 -30.028 -12.639 421 HZ3 TRP 48 3HZ TRP 48 -2.561 -29.832 -13.603 422 HH2 TRP 48 HH TRP 48 -4.916 -30.133 -14.316 423 HA PRO 49 HA PRO 49 0.324 -32.689 -6.784 424 HB2 PRO 49 2HB PRO 49 0.851 -33.648 -9.296 425 HB3 PRO 49 1HB PRO 49 -0.346 -34.371 -8.204 426 HG2 PRO 49 2HG PRO 49 -0.755 -32.552 -10.522 427 HG3 PRO 49 1HG PRO 49 -1.721 -33.935 -9.984 428 HD2 PRO 49 2HD PRO 49 -2.425 -31.330 -9.497 429 HD3 PRO 49 1HD PRO 49 -2.899 -32.695 -8.459 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -24.269 6.250 12.300 2 H2 MET 1 2HT MET 1 -25.059 4.795 12.683 3 H3 MET 1 3HT MET 1 -25.751 5.873 11.567 4 HA MET 1 HA MET 1 -24.463 3.767 10.760 5 HB2 MET 1 2HB MET 1 -25.350 6.083 9.602 6 HB3 MET 1 1HB MET 1 -23.625 6.158 9.238 7 HG2 MET 1 2HG MET 1 -23.732 3.868 8.301 8 HG3 MET 1 1HG MET 1 -25.463 3.821 8.635 9 HE1 MET 1 2HE MET 1 -23.563 3.896 5.467 10 HE2 MET 1 3HE MET 1 -25.207 3.975 4.840 11 HE3 MET 1 1HE MET 1 -24.842 2.975 6.253 12 H SER 2 H SER 2 -22.855 6.450 12.252 13 HA SER 2 HA SER 2 -20.669 6.807 12.860 14 HB2 SER 2 2HB SER 2 -21.156 4.049 13.158 15 HB3 SER 2 1HB SER 2 -19.583 4.182 12.378 16 HG SER 2 HG SER 2 -20.439 5.521 14.735 17 H GLU 3 H GLU 3 -21.561 6.779 9.951 18 HA GLU 3 HA GLU 3 -18.841 6.835 8.815 19 HB2 GLU 3 2HB GLU 3 -21.250 5.412 7.702 20 HB3 GLU 3 1HB GLU 3 -19.933 5.953 6.660 21 HG2 GLU 3 2HG GLU 3 -19.344 4.359 9.143 22 HG3 GLU 3 1HG GLU 3 -19.824 3.544 7.657 23 HA PRO 4 HA PRO 4 -21.605 10.574 7.929 24 HB2 PRO 4 2HB PRO 4 -19.969 12.415 9.169 25 HB3 PRO 4 1HB PRO 4 -21.336 11.610 9.963 26 HG2 PRO 4 2HG PRO 4 -18.429 11.009 10.127 27 HG3 PRO 4 1HG PRO 4 -19.670 10.955 11.392 28 HD2 PRO 4 2HD PRO 4 -18.727 8.710 10.162 29 HD3 PRO 4 1HD PRO 4 -20.387 8.836 10.787 30 H ALA 5 H ALA 5 -21.130 12.206 6.382 31 HA ALA 5 HA ALA 5 -19.121 11.570 4.502 32 HB1 ALA 5 1HB ALA 5 -19.721 13.982 3.670 33 HB2 ALA 5 2HB ALA 5 -21.002 13.871 4.878 34 HB3 ALA 5 3HB ALA 5 -20.923 12.696 3.565 35 H SER 6 H SER 6 -18.817 13.019 7.463 36 HA SER 6 HA SER 6 -16.889 15.049 6.906 37 HB2 SER 6 2HB SER 6 -17.246 13.502 9.478 38 HB3 SER 6 1HB SER 6 -16.494 15.083 9.282 39 HG SER 6 HG SER 6 -18.920 14.738 9.880 40 H LEU 7 H LEU 7 -16.711 11.595 7.518 41 HA LEU 7 HA LEU 7 -14.060 11.236 8.176 42 HB2 LEU 7 2HB LEU 7 -16.179 9.616 7.317 43 HB3 LEU 7 1HB LEU 7 -14.871 9.300 6.178 44 HG LEU 7 HG LEU 7 -14.617 9.210 9.200 45 HD11 LEU 7 1HD1 LEU 7 -14.931 7.066 7.093 46 HD12 LEU 7 2HD1 LEU 7 -15.885 7.306 8.557 47 HD13 LEU 7 3HD1 LEU 7 -14.224 6.727 8.674 48 HD21 LEU 7 3HD2 LEU 7 -12.688 9.207 6.975 49 HD22 LEU 7 1HD2 LEU 7 -12.481 7.860 8.095 50 HD23 LEU 7 2HD2 LEU 7 -12.425 9.518 8.691 51 H LEU 8 H LEU 8 -15.445 11.548 4.916 52 HA LEU 8 HA LEU 8 -12.875 11.455 3.634 53 HB2 LEU 8 2HB LEU 8 -15.532 12.380 2.525 54 HB3 LEU 8 1HB LEU 8 -14.100 11.946 1.591 55 HG LEU 8 HG LEU 8 -14.471 9.736 3.220 56 HD11 LEU 8 1HD1 LEU 8 -16.832 9.143 3.027 57 HD12 LEU 8 2HD1 LEU 8 -17.172 10.658 2.191 58 HD13 LEU 8 3HD1 LEU 8 -16.687 10.676 3.887 59 HD21 LEU 8 3HD2 LEU 8 -15.216 8.640 1.135 60 HD22 LEU 8 1HD2 LEU 8 -13.881 9.747 0.818 61 HD23 LEU 8 2HD2 LEU 8 -15.531 10.219 0.416 62 H THR 9 H THR 9 -15.147 13.969 4.573 63 HA THR 9 HA THR 9 -13.911 16.149 3.312 64 HB THR 9 HB THR 9 -15.195 16.469 6.002 65 HG1 THR 9 1HG THR 9 -16.986 16.431 4.006 66 HG21 THR 9 3HG2 THR 9 -15.784 17.981 3.472 67 HG22 THR 9 1HG2 THR 9 -14.310 18.325 4.379 68 HG23 THR 9 2HG2 THR 9 -15.886 18.533 5.144 69 H ALA 10 H ALA 10 -12.836 14.216 5.865 70 HA ALA 10 HA ALA 10 -11.050 16.268 6.936 71 HB1 ALA 10 1HB ALA 10 -11.581 13.418 7.798 72 HB2 ALA 10 2HB ALA 10 -12.124 14.890 8.603 73 HB3 ALA 10 3HB ALA 10 -10.409 14.488 8.573 74 H SER 11 H SER 11 -10.841 13.031 5.592 75 HA SER 11 HA SER 11 -8.024 12.990 5.348 76 HB2 SER 11 2HB SER 11 -8.784 10.849 5.120 77 HB3 SER 11 1HB SER 11 -10.266 11.350 4.310 78 HG SER 11 HG SER 11 -8.762 10.268 2.919 79 H ASP 12 H ASP 12 -10.334 14.725 3.665 80 HA ASP 12 HA ASP 12 -8.453 15.247 1.445 81 HB2 ASP 12 2HB ASP 12 -11.475 15.392 1.366 82 HB3 ASP 12 1HB ASP 12 -10.380 15.719 0.026 83 H LEU 13 H LEU 13 -8.430 16.586 3.964 84 HA LEU 13 HA LEU 13 -9.864 19.006 3.995 85 HB2 LEU 13 2HB LEU 13 -8.250 19.759 5.619 86 HB3 LEU 13 1HB LEU 13 -8.575 18.052 5.916 87 HG LEU 13 HG LEU 13 -6.490 17.969 4.092 88 HD11 LEU 13 1HD1 LEU 13 -5.915 20.162 6.110 89 HD12 LEU 13 2HD1 LEU 13 -6.230 20.447 4.400 90 HD13 LEU 13 3HD1 LEU 13 -4.804 19.534 4.892 91 HD21 LEU 13 3HD2 LEU 13 -5.140 17.270 6.031 92 HD22 LEU 13 1HD2 LEU 13 -6.764 16.592 6.135 93 HD23 LEU 13 2HD2 LEU 13 -6.325 17.985 7.124 94 H ASP 14 H ASP 14 -7.270 17.964 2.009 95 HA ASP 14 HA ASP 14 -7.223 20.562 0.708 96 HB2 ASP 14 2HB ASP 14 -5.117 19.670 2.490 97 HB3 ASP 14 1HB ASP 14 -4.510 19.917 0.855 98 HA PRO 15 HA PRO 15 -6.738 18.105 -2.923 99 HB2 PRO 15 2HB PRO 15 -5.035 19.661 -4.438 100 HB3 PRO 15 1HB PRO 15 -6.761 20.006 -4.216 101 HG2 PRO 15 2HG PRO 15 -4.403 21.192 -2.835 102 HG3 PRO 15 1HG PRO 15 -5.881 21.976 -3.420 103 HD2 PRO 15 2HD PRO 15 -5.518 21.386 -0.806 104 HD3 PRO 15 1HD PRO 15 -7.122 21.327 -1.570 105 H LEU 16 H LEU 16 -3.630 19.487 -1.837 106 HA LEU 16 HA LEU 16 -1.924 17.640 -3.048 107 HB2 LEU 16 2HB LEU 16 -1.560 19.078 -0.409 108 HB3 LEU 16 1HB LEU 16 -0.276 18.312 -1.344 109 HG LEU 16 HG LEU 16 -1.908 20.162 -2.931 110 HD11 LEU 16 1HD1 LEU 16 -0.776 22.182 -1.889 111 HD12 LEU 16 2HD1 LEU 16 -0.358 21.148 -0.522 112 HD13 LEU 16 3HD1 LEU 16 -2.051 21.459 -0.909 113 HD21 LEU 16 3HD2 LEU 16 0.332 19.055 -3.493 114 HD22 LEU 16 1HD2 LEU 16 1.064 20.185 -2.354 115 HD23 LEU 16 2HD2 LEU 16 0.235 20.792 -3.788 116 H ILE 17 H ILE 17 -3.590 17.518 0.066 117 HA ILE 17 HA ILE 17 -2.370 15.149 1.017 118 HB ILE 17 HB ILE 17 -5.099 16.305 1.629 119 HG12 ILE 17 2HG1 ILE 17 -2.813 17.579 2.061 120 HG13 ILE 17 1HG1 ILE 17 -4.083 17.578 3.281 121 HG21 ILE 17 1HG2 ILE 17 -5.185 14.069 2.378 122 HG22 ILE 17 2HG2 ILE 17 -4.671 14.968 3.806 123 HG23 ILE 17 3HG2 ILE 17 -3.488 14.070 2.856 124 HD11 ILE 17 3HD1 ILE 17 -2.981 15.964 4.604 125 HD12 ILE 17 1HD1 ILE 17 -1.671 17.005 4.045 126 HD13 ILE 17 2HD1 ILE 17 -1.948 15.444 3.275 127 H LEU 18 H LEU 18 -5.279 15.735 -0.905 128 HA LEU 18 HA LEU 18 -6.290 13.126 -0.915 129 HB2 LEU 18 2HB LEU 18 -6.800 15.576 -2.305 130 HB3 LEU 18 1HB LEU 18 -6.731 14.268 -3.486 131 HG LEU 18 HG LEU 18 -8.413 14.253 -0.961 132 HD11 LEU 18 1HD1 LEU 18 -9.303 14.452 -3.851 133 HD12 LEU 18 2HD1 LEU 18 -9.139 15.849 -2.787 134 HD13 LEU 18 3HD1 LEU 18 -10.312 14.586 -2.411 135 HD21 LEU 18 3HD2 LEU 18 -7.544 12.179 -2.788 136 HD22 LEU 18 1HD2 LEU 18 -9.299 12.349 -2.844 137 HD23 LEU 18 2HD2 LEU 18 -8.492 12.026 -1.309 138 H THR 19 H THR 19 -3.864 14.657 -2.992 139 HA THR 19 HA THR 19 -3.561 12.514 -4.799 140 HB THR 19 HB THR 19 -1.070 13.913 -4.329 141 HG1 THR 19 1HG THR 19 -2.757 15.827 -5.138 142 HG21 THR 19 3HG2 THR 19 -1.300 14.481 -6.641 143 HG22 THR 19 1HG2 THR 19 -3.050 14.270 -6.591 144 HG23 THR 19 2HG2 THR 19 -1.989 12.866 -6.472 145 H LEU 20 H LEU 20 -1.646 13.397 -1.921 146 HA LEU 20 HA LEU 20 0.078 11.187 -1.962 147 HB2 LEU 20 2HB LEU 20 -0.702 13.261 -0.034 148 HB3 LEU 20 1HB LEU 20 -0.196 11.746 0.713 149 HG LEU 20 HG LEU 20 1.904 11.784 -0.522 150 HD11 LEU 20 1HD1 LEU 20 2.111 14.269 -1.697 151 HD12 LEU 20 2HD1 LEU 20 0.448 13.818 -2.073 152 HD13 LEU 20 3HD1 LEU 20 1.778 12.768 -2.564 153 HD21 LEU 20 3HD2 LEU 20 2.905 13.810 0.465 154 HD22 LEU 20 1HD2 LEU 20 1.779 13.064 1.599 155 HD23 LEU 20 2HD2 LEU 20 1.299 14.500 0.696 156 H SER 21 H SER 21 -3.081 11.655 -0.442 157 HA SER 21 HA SER 21 -3.214 9.200 0.933 158 HB2 SER 21 2HB SER 21 -4.816 10.803 1.569 159 HB3 SER 21 1HB SER 21 -5.295 11.115 -0.098 160 HG SER 21 HG SER 21 -5.927 8.780 -0.045 161 H LEU 22 H LEU 22 -4.517 10.145 -2.250 162 HA LEU 22 HA LEU 22 -5.666 7.733 -2.993 163 HB2 LEU 22 2HB LEU 22 -4.834 10.152 -4.308 164 HB3 LEU 22 1HB LEU 22 -4.428 8.762 -5.309 165 HG LEU 22 HG LEU 22 -7.151 9.184 -4.051 166 HD11 LEU 22 1HD1 LEU 22 -6.221 9.740 -6.885 167 HD12 LEU 22 2HD1 LEU 22 -6.659 10.962 -5.691 168 HD13 LEU 22 3HD1 LEU 22 -7.883 9.854 -6.308 169 HD21 LEU 22 3HD2 LEU 22 -7.050 7.556 -6.432 170 HD22 LEU 22 1HD2 LEU 22 -7.593 7.109 -4.815 171 HD23 LEU 22 2HD2 LEU 22 -5.893 6.944 -5.251 172 H ILE 23 H ILE 23 -2.283 8.760 -3.304 173 HA ILE 23 HA ILE 23 -1.326 6.558 -4.749 174 HB ILE 23 HB ILE 23 -0.063 8.475 -2.812 175 HG12 ILE 23 2HG1 ILE 23 0.577 7.883 -5.710 176 HG13 ILE 23 1HG1 ILE 23 -0.685 9.023 -5.241 177 HG21 ILE 23 1HG2 ILE 23 2.125 7.355 -3.655 178 HG22 ILE 23 2HG2 ILE 23 1.096 5.964 -4.003 179 HG23 ILE 23 3HG2 ILE 23 1.234 6.566 -2.352 180 HD11 ILE 23 3HD1 ILE 23 0.815 10.566 -4.427 181 HD12 ILE 23 1HD1 ILE 23 1.855 9.798 -5.628 182 HD13 ILE 23 2HD1 ILE 23 1.974 9.332 -3.931 183 H LEU 24 H LEU 24 -1.203 7.069 -1.204 184 HA LEU 24 HA LEU 24 -0.239 4.514 -0.556 185 HB2 LEU 24 2HB LEU 24 -1.348 6.823 0.844 186 HB3 LEU 24 1HB LEU 24 -1.796 5.301 1.613 187 HG LEU 24 HG LEU 24 1.037 6.023 0.815 188 HD11 LEU 24 1HD1 LEU 24 -0.569 6.633 3.235 189 HD12 LEU 24 2HD1 LEU 24 0.834 7.471 2.573 190 HD13 LEU 24 3HD1 LEU 24 1.053 6.003 3.526 191 HD21 LEU 24 3HD2 LEU 24 -0.233 3.590 1.599 192 HD22 LEU 24 1HD2 LEU 24 0.813 4.103 2.925 193 HD23 LEU 24 2HD2 LEU 24 1.482 3.877 1.310 194 H VAL 25 H VAL 25 -3.380 5.608 -1.448 195 HA VAL 25 HA VAL 25 -4.790 3.341 -0.338 196 HB VAL 25 HB VAL 25 -5.665 5.409 -2.364 197 HG11 VAL 25 1HG1 VAL 25 -7.964 4.593 -1.519 198 HG12 VAL 25 2HG1 VAL 25 -7.100 3.175 -0.924 199 HG13 VAL 25 3HG1 VAL 25 -7.105 3.547 -2.648 200 HG21 VAL 25 3HG2 VAL 25 -5.136 5.673 0.367 201 HG22 VAL 25 1HG2 VAL 25 -6.883 5.445 0.287 202 HG23 VAL 25 2HG2 VAL 25 -6.124 6.759 -0.610 203 H LEU 26 H LEU 26 -3.981 4.412 -3.639 204 HA LEU 26 HA LEU 26 -4.950 2.157 -4.987 205 HB2 LEU 26 2HB LEU 26 -3.414 4.504 -5.619 206 HB3 LEU 26 1HB LEU 26 -2.689 3.100 -6.401 207 HG LEU 26 HG LEU 26 -5.632 3.816 -6.535 208 HD11 LEU 26 1HD1 LEU 26 -4.625 5.463 -7.851 209 HD12 LEU 26 2HD1 LEU 26 -4.897 4.177 -9.027 210 HD13 LEU 26 3HD1 LEU 26 -3.294 4.409 -8.328 211 HD21 LEU 26 3HD2 LEU 26 -4.840 2.119 -8.646 212 HD22 LEU 26 1HD2 LEU 26 -5.854 1.696 -7.268 213 HD23 LEU 26 2HD2 LEU 26 -4.112 1.439 -7.191 214 H ILE 27 H ILE 27 -1.690 2.863 -3.745 215 HA ILE 27 HA ILE 27 -0.513 0.457 -4.670 216 HB ILE 27 HB ILE 27 0.649 2.598 -3.840 217 HG12 ILE 27 2HG1 ILE 27 2.349 0.852 -2.532 218 HG13 ILE 27 1HG1 ILE 27 1.419 -0.226 -3.574 219 HG21 ILE 27 1HG2 ILE 27 -0.620 2.507 -1.626 220 HG22 ILE 27 2HG2 ILE 27 1.112 2.806 -1.518 221 HG23 ILE 27 3HG2 ILE 27 0.473 1.201 -1.164 222 HD11 ILE 27 3HD1 ILE 27 3.245 0.476 -4.919 223 HD12 ILE 27 1HD1 ILE 27 3.110 2.147 -4.371 224 HD13 ILE 27 2HD1 ILE 27 1.893 1.473 -5.455 225 H SER 28 H SER 28 -1.961 1.384 -1.554 226 HA SER 28 HA SER 28 -1.418 -0.972 -0.145 227 HB2 SER 28 2HB SER 28 -3.687 1.002 0.054 228 HB3 SER 28 1HB SER 28 -3.502 -0.347 1.171 229 HG SER 28 HG SER 28 -2.494 1.694 1.807 230 H LEU 29 H LEU 29 -4.100 -0.147 -2.283 231 HA LEU 29 HA LEU 29 -5.585 -2.524 -1.846 232 HB2 LEU 29 2HB LEU 29 -5.716 -0.203 -3.619 233 HB3 LEU 29 1HB LEU 29 -6.237 -1.689 -4.414 234 HG LEU 29 HG LEU 29 -8.108 -0.500 -3.255 235 HD11 LEU 29 1HD1 LEU 29 -7.493 -3.228 -3.214 236 HD12 LEU 29 2HD1 LEU 29 -9.070 -2.513 -2.880 237 HD13 LEU 29 3HD1 LEU 29 -7.963 -2.866 -1.554 238 HD21 LEU 29 3HD2 LEU 29 -6.232 -0.049 -1.292 239 HD22 LEU 29 1HD2 LEU 29 -7.193 -1.348 -0.586 240 HD23 LEU 29 2HD2 LEU 29 -7.971 0.155 -1.081 241 H LEU 30 H LEU 30 -3.361 -1.566 -4.457 242 HA LEU 30 HA LEU 30 -3.493 -3.888 -5.977 243 HB2 LEU 30 2HB LEU 30 -2.229 -1.660 -6.410 244 HB3 LEU 30 1HB LEU 30 -0.897 -2.432 -5.551 245 HG LEU 30 HG LEU 30 -1.471 -4.443 -7.204 246 HD11 LEU 30 1HD1 LEU 30 -2.121 -3.576 -9.422 247 HD12 LEU 30 2HD1 LEU 30 -2.336 -1.968 -8.732 248 HD13 LEU 30 3HD1 LEU 30 -3.394 -3.289 -8.238 249 HD21 LEU 30 3HD2 LEU 30 0.117 -1.940 -7.827 250 HD22 LEU 30 1HD2 LEU 30 0.198 -3.394 -8.820 251 HD23 LEU 30 2HD2 LEU 30 0.714 -3.447 -7.135 252 H LEU 31 H LEU 31 -1.310 -3.119 -3.264 253 HA LEU 31 HA LEU 31 0.185 -5.459 -3.253 254 HB2 LEU 31 2HB LEU 31 -0.201 -3.216 -1.536 255 HB3 LEU 31 1HB LEU 31 -0.302 -4.675 -0.550 256 HG LEU 31 HG LEU 31 1.931 -4.062 -2.510 257 HD11 LEU 31 1HD1 LEU 31 3.279 -3.485 -0.644 258 HD12 LEU 31 2HD1 LEU 31 2.106 -4.131 0.504 259 HD13 LEU 31 3HD1 LEU 31 1.756 -2.640 -0.370 260 HD21 LEU 31 3HD2 LEU 31 2.437 -6.242 -2.283 261 HD22 LEU 31 1HD2 LEU 31 1.041 -6.469 -1.232 262 HD23 LEU 31 2HD2 LEU 31 2.599 -6.011 -0.542 263 H THR 32 H THR 32 -2.793 -4.739 -1.423 264 HA THR 32 HA THR 32 -3.093 -7.189 -0.144 265 HB THR 32 HB THR 32 -5.392 -5.581 -1.259 266 HG1 THR 32 1HG THR 32 -4.855 -4.852 1.191 267 HG21 THR 32 3HG2 THR 32 -5.821 -7.786 -0.124 268 HG22 THR 32 1HG2 THR 32 -6.567 -6.406 0.683 269 HG23 THR 32 2HG2 THR 32 -5.089 -7.116 1.333 270 H VAL 33 H VAL 33 -4.469 -6.169 -3.276 271 HA VAL 33 HA VAL 33 -5.723 -8.565 -3.950 272 HB VAL 33 HB VAL 33 -4.385 -6.544 -5.764 273 HG11 VAL 33 1HG1 VAL 33 -6.320 -8.811 -6.309 274 HG12 VAL 33 2HG1 VAL 33 -4.728 -8.561 -7.025 275 HG13 VAL 33 3HG1 VAL 33 -6.057 -7.479 -7.435 276 HG21 VAL 33 3HG2 VAL 33 -7.234 -6.457 -5.809 277 HG22 VAL 33 1HG2 VAL 33 -6.125 -5.221 -5.217 278 HG23 VAL 33 2HG2 VAL 33 -6.736 -6.457 -4.117 279 H LEU 34 H LEU 34 -2.382 -7.523 -4.592 280 HA LEU 34 HA LEU 34 -1.589 -9.775 -6.078 281 HB2 LEU 34 2HB LEU 34 -0.057 -7.905 -4.280 282 HB3 LEU 34 1HB LEU 34 0.723 -9.125 -5.288 283 HG LEU 34 HG LEU 34 -1.235 -7.234 -6.565 284 HD11 LEU 34 1HD1 LEU 34 1.010 -5.895 -7.076 285 HD12 LEU 34 2HD1 LEU 34 1.483 -6.544 -5.506 286 HD13 LEU 34 3HD1 LEU 34 0.048 -5.528 -5.647 287 HD21 LEU 34 3HD2 LEU 34 0.228 -7.585 -8.503 288 HD22 LEU 34 1HD2 LEU 34 -0.226 -9.146 -7.821 289 HD23 LEU 34 2HD2 LEU 34 1.373 -8.477 -7.501 290 H ALA 35 H ALA 35 -1.194 -9.093 -2.595 291 HA ALA 35 HA ALA 35 -0.006 -11.544 -1.911 292 HB1 ALA 35 1HB ALA 35 -0.952 -11.043 0.393 293 HB2 ALA 35 2HB ALA 35 -1.718 -9.624 -0.324 294 HB3 ALA 35 3HB ALA 35 0.041 -9.767 -0.312 295 H LEU 36 H LEU 36 -3.335 -10.602 -2.391 296 HA LEU 36 HA LEU 36 -4.514 -12.951 -1.255 297 HB2 LEU 36 2HB LEU 36 -5.509 -10.551 -2.083 298 HB3 LEU 36 1HB LEU 36 -6.015 -11.602 -3.404 299 HG LEU 36 HG LEU 36 -6.830 -13.212 -1.548 300 HD11 LEU 36 1HD1 LEU 36 -6.889 -12.507 0.620 301 HD12 LEU 36 2HD1 LEU 36 -7.264 -10.844 0.169 302 HD13 LEU 36 3HD1 LEU 36 -5.599 -11.417 0.111 303 HD21 LEU 36 3HD2 LEU 36 -8.048 -10.610 -2.403 304 HD22 LEU 36 1HD2 LEU 36 -8.882 -11.562 -1.176 305 HD23 LEU 36 2HD2 LEU 36 -8.564 -12.256 -2.766 306 H LEU 37 H LEU 37 -3.716 -11.990 -4.575 307 HA LEU 37 HA LEU 37 -4.719 -14.305 -5.842 308 HB2 LEU 37 2HB LEU 37 -3.018 -12.018 -6.549 309 HB3 LEU 37 1HB LEU 37 -2.628 -13.494 -7.435 310 HG LEU 37 HG LEU 37 -4.985 -13.738 -8.096 311 HD11 LEU 37 1HD1 LEU 37 -6.521 -12.776 -6.752 312 HD12 LEU 37 2HD1 LEU 37 -6.112 -11.246 -7.527 313 HD13 LEU 37 3HD1 LEU 37 -5.315 -11.714 -6.025 314 HD21 LEU 37 3HD2 LEU 37 -4.117 -12.552 -9.834 315 HD22 LEU 37 1HD2 LEU 37 -3.337 -11.384 -8.770 316 HD23 LEU 37 2HD2 LEU 37 -5.046 -11.210 -9.167 317 H SER 38 H SER 38 -1.513 -13.499 -4.546 318 HA SER 38 HA SER 38 -0.163 -15.812 -5.410 319 HB2 SER 38 2HB SER 38 1.545 -15.210 -3.899 320 HB3 SER 38 1HB SER 38 0.800 -13.677 -4.345 321 HG SER 38 HG SER 38 1.154 -14.431 -1.965 322 H HIS 39 H HIS 39 -1.879 -15.136 -2.365 323 HA HIS 39 HA HIS 39 -1.383 -17.594 -1.103 324 HB2 HIS 39 2HB HIS 39 -2.818 -15.271 -0.517 325 HB3 HIS 39 1HB HIS 39 -4.027 -16.556 -0.507 326 HD2 HIS 39 2HD HIS 39 -0.457 -16.002 1.191 327 HE1 HIS 39 1HE HIS 39 -2.833 -18.439 3.689 328 HE2 HIS 39 2HE HIS 39 -0.590 -17.268 3.471 329 H ARG 40 H ARG 40 -4.118 -16.570 -3.143 330 HA ARG 40 HA ARG 40 -5.596 -18.950 -3.009 331 HB2 ARG 40 2HB ARG 40 -5.388 -16.813 -5.131 332 HB3 ARG 40 1HB ARG 40 -6.500 -18.175 -5.266 333 HG2 ARG 40 2HG ARG 40 -7.608 -17.553 -3.199 334 HG3 ARG 40 1HG ARG 40 -6.418 -16.285 -2.898 335 HD2 ARG 40 2HD ARG 40 -7.242 -14.923 -4.606 336 HD3 ARG 40 1HD ARG 40 -7.983 -16.274 -5.460 337 HE ARG 40 HE ARG 40 -9.114 -15.658 -2.842 338 HH11 ARG 40 1HH2 ARG 40 -9.210 -15.256 -6.279 339 HH12 ARG 40 2HH2 ARG 40 -10.878 -14.793 -6.315 340 HH21 ARG 40 1HH1 ARG 40 -11.301 -15.050 -2.884 341 HH22 ARG 40 2HH1 ARG 40 -12.062 -14.675 -4.394 342 H ARG 41 H ARG 41 -3.005 -17.951 -5.220 343 HA ARG 41 HA ARG 41 -3.121 -20.177 -6.947 344 HB2 ARG 41 2HB ARG 41 -1.363 -17.922 -6.484 345 HB3 ARG 41 1HB ARG 41 -0.433 -19.386 -6.808 346 HG2 ARG 41 2HG ARG 41 -1.744 -19.790 -8.847 347 HG3 ARG 41 1HG ARG 41 -2.717 -18.355 -8.518 348 HD2 ARG 41 2HD ARG 41 -0.800 -16.911 -8.773 349 HD3 ARG 41 1HD ARG 41 0.290 -18.291 -8.866 350 HE ARG 41 HE ARG 41 -1.355 -17.245 -11.005 351 HH11 ARG 41 1HH2 ARG 41 0.306 -19.983 -9.693 352 HH12 ARG 41 2HH2 ARG 41 0.495 -20.774 -11.222 353 HH21 ARG 41 1HH1 ARG 41 -1.110 -18.277 -13.013 354 HH22 ARG 41 2HH1 ARG 41 -0.306 -19.808 -13.101 355 H THR 42 H THR 42 -1.181 -19.576 -4.026 356 HA THR 42 HA THR 42 0.277 -21.975 -4.038 357 HB THR 42 HB THR 42 -0.658 -20.627 -1.515 358 HG1 THR 42 1HG THR 42 1.536 -19.505 -2.145 359 HG21 THR 42 3HG2 THR 42 2.101 -21.625 -2.148 360 HG22 THR 42 1HG2 THR 42 0.837 -22.771 -1.699 361 HG23 THR 42 2HG2 THR 42 1.300 -21.486 -0.583 362 H LEU 43 H LEU 43 -2.843 -21.173 -2.542 363 HA LEU 43 HA LEU 43 -3.321 -23.572 -1.207 364 HB2 LEU 43 2HB LEU 43 -4.738 -21.245 -1.651 365 HB3 LEU 43 1HB LEU 43 -5.706 -22.459 -2.488 366 HG LEU 43 HG LEU 43 -4.759 -22.620 0.390 367 HD11 LEU 43 1HD1 LEU 43 -7.635 -22.703 -0.232 368 HD12 LEU 43 2HD1 LEU 43 -6.865 -21.170 -0.638 369 HD13 LEU 43 3HD1 LEU 43 -6.779 -21.790 1.011 370 HD21 LEU 43 3HD2 LEU 43 -6.666 -24.537 0.106 371 HD22 LEU 43 1HD2 LEU 43 -4.940 -24.856 -0.077 372 HD23 LEU 43 2HD2 LEU 43 -5.943 -24.580 -1.502 373 H GLN 44 H GLN 44 -4.121 -22.675 -4.563 374 HA GLN 44 HA GLN 44 -5.432 -25.045 -5.280 375 HB2 GLN 44 2HB GLN 44 -3.778 -23.137 -6.952 376 HB3 GLN 44 1HB GLN 44 -4.799 -24.413 -7.614 377 HG2 GLN 44 2HG GLN 44 -6.236 -22.821 -5.650 378 HG3 GLN 44 1HG GLN 44 -5.609 -21.817 -6.957 379 HE21 GLN 44 1HE2 GLN 44 -7.588 -24.747 -6.344 380 HE22 GLN 44 2HE2 GLN 44 -8.459 -24.645 -7.797 381 H GLN 45 H GLN 45 -1.996 -24.193 -5.311 382 HA GLN 45 HA GLN 45 -1.096 -26.565 -6.591 383 HB2 GLN 45 2HB GLN 45 0.131 -24.311 -5.118 384 HB3 GLN 45 1HB GLN 45 1.052 -25.815 -5.133 385 HG2 GLN 45 2HG GLN 45 1.540 -24.245 -7.063 386 HG3 GLN 45 1HG GLN 45 1.070 -25.877 -7.533 387 HE21 GLN 45 1HE2 GLN 45 -0.764 -26.085 -8.866 388 HE22 GLN 45 2HE2 GLN 45 -1.802 -24.802 -9.258 389 H LYS 46 H LYS 46 -1.320 -25.609 -3.177 390 HA LYS 46 HA LYS 46 -0.198 -27.861 -1.993 391 HB2 LYS 46 2HB LYS 46 -2.207 -25.831 -1.149 392 HB3 LYS 46 1HB LYS 46 -2.066 -27.295 -0.174 393 HG2 LYS 46 2HG LYS 46 0.333 -26.921 0.107 394 HG3 LYS 46 1HG LYS 46 0.257 -25.505 -0.943 395 HD2 LYS 46 2HD LYS 46 -1.195 -24.352 0.630 396 HD3 LYS 46 1HD LYS 46 -1.292 -25.790 1.647 397 HE2 LYS 46 2HE LYS 46 1.474 -25.119 1.154 398 HE3 LYS 46 1HE LYS 46 0.621 -23.718 1.802 399 HZ1 LYS 46 3HZ LYS 46 1.610 -25.470 3.406 400 HZ2 LYS 46 1HZ LYS 46 0.219 -26.362 3.024 401 HZ3 LYS 46 2HZ LYS 46 0.072 -24.821 3.723 402 H ILE 47 H ILE 47 -3.532 -27.335 -3.087 403 HA ILE 47 HA ILE 47 -4.402 -29.930 -2.189 404 HB ILE 47 HB ILE 47 -5.635 -27.678 -3.732 405 HG12 ILE 47 2HG1 ILE 47 -5.544 -28.091 -1.128 406 HG13 ILE 47 1HG1 ILE 47 -7.027 -27.504 -1.877 407 HG21 ILE 47 1HG2 ILE 47 -7.718 -29.219 -3.815 408 HG22 ILE 47 2HG2 ILE 47 -6.568 -30.546 -3.667 409 HG23 ILE 47 3HG2 ILE 47 -6.477 -29.446 -5.045 410 HD11 ILE 47 3HD1 ILE 47 -7.200 -29.508 -0.228 411 HD12 ILE 47 1HD1 ILE 47 -6.542 -30.465 -1.554 412 HD13 ILE 47 2HD1 ILE 47 -8.071 -29.613 -1.759 413 H TRP 48 H TRP 48 -3.524 -28.478 -5.301 414 HA TRP 48 HA TRP 48 -3.305 -31.203 -6.419 415 HB2 TRP 48 2HB TRP 48 -5.343 -30.074 -7.278 416 HB3 TRP 48 1HB TRP 48 -4.328 -28.772 -7.902 417 HD1 TRP 48 HD TRP 48 -3.381 -29.095 -10.241 418 HE1 TRP 48 1HE TRP 48 -3.146 -31.076 -11.875 419 HE3 TRP 48 3HE TRP 48 -4.983 -32.906 -7.242 420 HZ2 TRP 48 2HZ TRP 48 -3.581 -33.904 -11.905 421 HZ3 TRP 48 3HZ TRP 48 -5.063 -35.230 -8.098 422 HH2 TRP 48 HH TRP 48 -4.364 -35.734 -10.423 423 HA PRO 49 HA PRO 49 0.749 -28.875 -6.544 424 HB2 PRO 49 2HB PRO 49 1.587 -31.736 -6.691 425 HB3 PRO 49 1HB PRO 49 2.262 -30.412 -5.724 426 HG2 PRO 49 2HG PRO 49 0.732 -32.315 -4.642 427 HG3 PRO 49 1HG PRO 49 0.694 -30.638 -4.071 428 HD2 PRO 49 2HD PRO 49 -1.320 -32.122 -5.681 429 HD3 PRO 49 1HD PRO 49 -1.553 -30.763 -4.560 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -18.796 24.436 -18.967 2 H2 MET 1 2HT MET 1 -18.805 22.751 -18.760 3 H3 MET 1 3HT MET 1 -17.336 23.604 -18.748 4 HA MET 1 HA MET 1 -18.666 22.867 -16.544 5 HB2 MET 1 2HB MET 1 -16.851 25.245 -17.035 6 HB3 MET 1 1HB MET 1 -17.276 24.661 -15.424 7 HG2 MET 1 2HG MET 1 -16.232 22.693 -17.426 8 HG3 MET 1 1HG MET 1 -15.089 23.783 -16.642 9 HE1 MET 1 2HE MET 1 -14.685 20.333 -15.075 10 HE2 MET 1 3HE MET 1 -13.748 21.810 -14.858 11 HE3 MET 1 1HE MET 1 -14.357 21.372 -16.459 12 H SER 2 H SER 2 -20.932 23.300 -16.814 13 HA SER 2 HA SER 2 -21.829 26.070 -16.808 14 HB2 SER 2 2HB SER 2 -23.845 25.243 -17.442 15 HB3 SER 2 1HB SER 2 -22.916 23.794 -17.817 16 HG SER 2 HG SER 2 -23.995 22.835 -16.303 17 H GLU 3 H GLU 3 -20.398 24.454 -14.521 18 HA GLU 3 HA GLU 3 -22.269 25.287 -12.387 19 HB2 GLU 3 2HB GLU 3 -20.409 23.531 -11.255 20 HB3 GLU 3 1HB GLU 3 -22.098 23.184 -11.628 21 HG2 GLU 3 2HG GLU 3 -21.503 22.393 -13.844 22 HG3 GLU 3 1HG GLU 3 -19.827 22.884 -13.612 23 HA PRO 4 HA PRO 4 -19.210 28.057 -10.853 24 HB2 PRO 4 2HB PRO 4 -19.444 27.755 -8.139 25 HB3 PRO 4 1HB PRO 4 -20.631 28.618 -9.135 26 HG2 PRO 4 2HG PRO 4 -20.726 25.849 -8.049 27 HG3 PRO 4 1HG PRO 4 -22.020 27.050 -8.195 28 HD2 PRO 4 2HD PRO 4 -21.740 24.968 -9.945 29 HD3 PRO 4 1HD PRO 4 -22.434 26.536 -10.415 30 H ALA 5 H ALA 5 -17.038 28.044 -10.523 31 HA ALA 5 HA ALA 5 -15.632 25.591 -10.290 32 HB1 ALA 5 1HB ALA 5 -13.751 27.480 -9.714 33 HB2 ALA 5 2HB ALA 5 -14.955 28.440 -10.574 34 HB3 ALA 5 3HB ALA 5 -14.238 27.026 -11.347 35 H SER 6 H SER 6 -17.165 27.438 -7.994 36 HA SER 6 HA SER 6 -15.349 27.159 -5.802 37 HB2 SER 6 2HB SER 6 -16.856 28.415 -4.693 38 HB3 SER 6 1HB SER 6 -17.682 28.569 -6.242 39 HG SER 6 HG SER 6 -19.014 27.769 -4.504 40 H LEU 7 H LEU 7 -18.005 25.241 -7.097 41 HA LEU 7 HA LEU 7 -18.450 23.475 -5.004 42 HB2 LEU 7 2HB LEU 7 -19.276 23.679 -7.634 43 HB3 LEU 7 1HB LEU 7 -18.391 22.154 -7.612 44 HG LEU 7 HG LEU 7 -20.620 22.931 -5.707 45 HD11 LEU 7 1HD1 LEU 7 -21.606 22.421 -7.811 46 HD12 LEU 7 2HD1 LEU 7 -21.719 20.927 -6.879 47 HD13 LEU 7 3HD1 LEU 7 -20.470 21.106 -8.111 48 HD21 LEU 7 3HD2 LEU 7 -20.288 20.261 -5.406 49 HD22 LEU 7 1HD2 LEU 7 -19.459 21.446 -4.396 50 HD23 LEU 7 2HD2 LEU 7 -18.626 20.724 -5.772 51 H LEU 8 H LEU 8 -16.139 23.084 -7.694 52 HA LEU 8 HA LEU 8 -14.981 20.707 -6.671 53 HB2 LEU 8 2HB LEU 8 -13.858 22.757 -8.592 54 HB3 LEU 8 1HB LEU 8 -13.166 21.161 -8.299 55 HG LEU 8 HG LEU 8 -15.900 20.707 -8.811 56 HD11 LEU 8 1HD1 LEU 8 -16.287 21.807 -10.946 57 HD12 LEU 8 2HD1 LEU 8 -14.700 22.574 -10.877 58 HD13 LEU 8 3HD1 LEU 8 -15.953 23.035 -9.726 59 HD21 LEU 8 3HD2 LEU 8 -13.402 20.413 -10.507 60 HD22 LEU 8 1HD2 LEU 8 -14.962 19.717 -10.946 61 HD23 LEU 8 2HD2 LEU 8 -14.142 19.187 -9.476 62 H THR 9 H THR 9 -13.994 24.099 -6.507 63 HA THR 9 HA THR 9 -11.624 23.623 -5.013 64 HB THR 9 HB THR 9 -13.191 26.196 -4.946 65 HG1 THR 9 1HG THR 9 -12.384 24.886 -7.097 66 HG21 THR 9 3HG2 THR 9 -11.181 26.081 -3.556 67 HG22 THR 9 1HG2 THR 9 -10.895 27.150 -4.929 68 HG23 THR 9 2HG2 THR 9 -10.237 25.515 -4.933 69 H ALA 10 H ALA 10 -14.852 23.371 -4.173 70 HA ALA 10 HA ALA 10 -14.314 23.923 -1.330 71 HB1 ALA 10 1HB ALA 10 -16.906 23.731 -2.862 72 HB2 ALA 10 2HB ALA 10 -16.208 25.170 -2.118 73 HB3 ALA 10 3HB ALA 10 -16.819 23.861 -1.105 74 H SER 11 H SER 11 -14.930 21.469 -3.598 75 HA SER 11 HA SER 11 -15.716 19.523 -1.572 76 HB2 SER 11 2HB SER 11 -16.860 19.489 -3.758 77 HB3 SER 11 1HB SER 11 -15.318 19.159 -4.545 78 HG SER 11 HG SER 11 -15.395 17.161 -3.851 79 H ASP 12 H ASP 12 -12.920 20.643 -3.110 80 HA ASP 12 HA ASP 12 -11.393 18.299 -2.147 81 HB2 ASP 12 2HB ASP 12 -10.907 20.031 -4.575 82 HB3 ASP 12 1HB ASP 12 -9.744 18.865 -3.949 83 H LEU 13 H LEU 13 -12.021 20.526 -0.527 84 HA LEU 13 HA LEU 13 -10.301 22.643 -0.379 85 HB2 LEU 13 2HB LEU 13 -10.587 22.590 2.047 86 HB3 LEU 13 1HB LEU 13 -12.112 22.211 1.245 87 HG LEU 13 HG LEU 13 -10.923 19.730 1.487 88 HD11 LEU 13 1HD1 LEU 13 -10.034 19.525 3.701 89 HD12 LEU 13 2HD1 LEU 13 -10.516 21.171 4.117 90 HD13 LEU 13 3HD1 LEU 13 -9.205 20.899 2.969 91 HD21 LEU 13 3HD2 LEU 13 -12.880 21.193 3.278 92 HD22 LEU 13 1HD2 LEU 13 -12.569 19.460 3.397 93 HD23 LEU 13 2HD2 LEU 13 -13.258 20.134 1.919 94 H ASP 14 H ASP 14 -9.519 19.296 -0.027 95 HA ASP 14 HA ASP 14 -6.738 20.030 0.668 96 HB2 ASP 14 2HB ASP 14 -8.567 18.068 1.877 97 HB3 ASP 14 1HB ASP 14 -6.963 17.446 1.511 98 HA PRO 15 HA PRO 15 -6.758 17.732 -3.336 99 HB2 PRO 15 2HB PRO 15 -5.110 19.422 -4.701 100 HB3 PRO 15 1HB PRO 15 -6.860 19.672 -4.564 101 HG2 PRO 15 2HG PRO 15 -4.645 21.054 -3.188 102 HG3 PRO 15 1HG PRO 15 -6.244 21.650 -3.650 103 HD2 PRO 15 2HD PRO 15 -5.467 20.841 -1.070 104 HD3 PRO 15 1HD PRO 15 -7.137 21.105 -1.621 105 H LEU 16 H LEU 16 -3.963 19.323 -1.819 106 HA LEU 16 HA LEU 16 -1.941 17.717 -2.904 107 HB2 LEU 16 2HB LEU 16 -2.068 19.083 -0.207 108 HB3 LEU 16 1HB LEU 16 -0.600 18.441 -0.945 109 HG LEU 16 HG LEU 16 -2.115 20.184 -2.752 110 HD11 LEU 16 1HD1 LEU 16 -1.013 21.297 -0.156 111 HD12 LEU 16 2HD1 LEU 16 -2.690 21.358 -0.698 112 HD13 LEU 16 3HD1 LEU 16 -1.452 22.278 -1.553 113 HD21 LEU 16 3HD2 LEU 16 0.058 21.012 -3.266 114 HD22 LEU 16 1HD2 LEU 16 0.299 19.299 -2.923 115 HD23 LEU 16 2HD2 LEU 16 0.706 20.510 -1.705 116 H ILE 17 H ILE 17 -3.721 17.362 0.160 117 HA ILE 17 HA ILE 17 -2.429 14.942 0.905 118 HB ILE 17 HB ILE 17 -4.976 16.286 1.776 119 HG12 ILE 17 2HG1 ILE 17 -2.471 15.627 3.335 120 HG13 ILE 17 1HG1 ILE 17 -2.647 17.125 2.420 121 HG21 ILE 17 1HG2 ILE 17 -4.787 14.492 3.672 122 HG22 ILE 17 2HG2 ILE 17 -3.902 13.562 2.463 123 HG23 ILE 17 3HG2 ILE 17 -5.568 14.051 2.153 124 HD11 ILE 17 3HD1 ILE 17 -4.035 18.028 3.960 125 HD12 ILE 17 1HD1 ILE 17 -3.482 16.741 5.031 126 HD13 ILE 17 2HD1 ILE 17 -4.971 16.541 4.108 127 H LEU 18 H LEU 18 -5.362 15.677 -0.950 128 HA LEU 18 HA LEU 18 -6.425 13.068 -0.997 129 HB2 LEU 18 2HB LEU 18 -7.997 14.433 -1.893 130 HB3 LEU 18 1HB LEU 18 -6.796 15.595 -2.435 131 HG LEU 18 HG LEU 18 -6.280 14.134 -4.386 132 HD11 LEU 18 1HD1 LEU 18 -7.028 12.000 -4.482 133 HD12 LEU 18 2HD1 LEU 18 -8.687 12.530 -4.220 134 HD13 LEU 18 3HD1 LEU 18 -7.644 12.205 -2.841 135 HD21 LEU 18 3HD2 LEU 18 -8.527 15.750 -3.998 136 HD22 LEU 18 1HD2 LEU 18 -9.153 14.293 -4.769 137 HD23 LEU 18 2HD2 LEU 18 -7.869 15.221 -5.546 138 H THR 19 H THR 19 -4.089 14.711 -3.071 139 HA THR 19 HA THR 19 -3.833 12.700 -5.016 140 HB THR 19 HB THR 19 -1.494 14.403 -4.217 141 HG1 THR 19 1HG THR 19 -3.999 15.210 -5.188 142 HG21 THR 19 3HG2 THR 19 -2.608 14.036 -6.976 143 HG22 THR 19 1HG2 THR 19 -1.735 12.700 -6.225 144 HG23 THR 19 2HG2 THR 19 -0.932 14.251 -6.466 145 H LEU 20 H LEU 20 -1.929 13.319 -2.082 146 HA LEU 20 HA LEU 20 -0.200 11.090 -2.413 147 HB2 LEU 20 2HB LEU 20 -0.789 13.079 -0.316 148 HB3 LEU 20 1HB LEU 20 -0.202 11.525 0.280 149 HG LEU 20 HG LEU 20 1.735 11.661 -1.237 150 HD11 LEU 20 1HD1 LEU 20 1.825 14.292 -2.081 151 HD12 LEU 20 2HD1 LEU 20 0.133 13.866 -2.333 152 HD13 LEU 20 3HD1 LEU 20 1.406 12.914 -3.098 153 HD21 LEU 20 3HD2 LEU 20 1.275 14.132 0.464 154 HD22 LEU 20 1HD2 LEU 20 2.846 13.631 -0.162 155 HD23 LEU 20 2HD2 LEU 20 1.991 12.611 0.996 156 H SER 21 H SER 21 -3.314 11.531 -0.834 157 HA SER 21 HA SER 21 -3.379 9.050 0.541 158 HB2 SER 21 2HB SER 21 -4.879 11.071 0.934 159 HB3 SER 21 1HB SER 21 -5.784 10.558 -0.487 160 HG SER 21 HG SER 21 -6.773 9.507 1.122 161 H LEU 22 H LEU 22 -4.801 10.084 -2.569 162 HA LEU 22 HA LEU 22 -6.008 7.686 -3.296 163 HB2 LEU 22 2HB LEU 22 -5.255 10.134 -4.600 164 HB3 LEU 22 1HB LEU 22 -4.871 8.768 -5.648 165 HG LEU 22 HG LEU 22 -7.165 7.893 -5.337 166 HD11 LEU 22 1HD1 LEU 22 -7.178 9.951 -3.274 167 HD12 LEU 22 2HD1 LEU 22 -8.274 8.589 -3.498 168 HD13 LEU 22 3HD1 LEU 22 -8.565 10.103 -4.353 169 HD21 LEU 22 3HD2 LEU 22 -8.236 10.228 -6.286 170 HD22 LEU 22 1HD2 LEU 22 -7.294 9.103 -7.265 171 HD23 LEU 22 2HD2 LEU 22 -6.515 10.511 -6.543 172 H ILE 23 H ILE 23 -2.659 8.736 -3.890 173 HA ILE 23 HA ILE 23 -1.828 6.491 -5.348 174 HB ILE 23 HB ILE 23 -0.513 8.664 -3.829 175 HG12 ILE 23 2HG1 ILE 23 0.745 8.866 -5.897 176 HG13 ILE 23 1HG1 ILE 23 0.150 7.303 -6.456 177 HG21 ILE 23 1HG2 ILE 23 0.749 6.894 -2.815 178 HG22 ILE 23 2HG2 ILE 23 1.738 7.508 -4.141 179 HG23 ILE 23 3HG2 ILE 23 0.846 5.999 -4.330 180 HD11 ILE 23 3HD1 ILE 23 -1.004 9.649 -7.151 181 HD12 ILE 23 1HD1 ILE 23 -1.924 9.287 -5.691 182 HD13 ILE 23 2HD1 ILE 23 -1.904 8.138 -7.027 183 H LEU 24 H LEU 24 -1.455 7.137 -1.857 184 HA LEU 24 HA LEU 24 -0.343 4.662 -1.172 185 HB2 LEU 24 2HB LEU 24 -1.633 6.910 0.236 186 HB3 LEU 24 1HB LEU 24 -1.738 5.366 1.079 187 HG LEU 24 HG LEU 24 0.841 6.504 -0.038 188 HD11 LEU 24 1HD1 LEU 24 -0.053 6.477 2.854 189 HD12 LEU 24 2HD1 LEU 24 -0.196 7.891 1.810 190 HD13 LEU 24 3HD1 LEU 24 1.394 7.229 2.186 191 HD21 LEU 24 3HD2 LEU 24 0.092 3.940 0.997 192 HD22 LEU 24 1HD2 LEU 24 1.188 4.702 2.149 193 HD23 LEU 24 2HD2 LEU 24 1.682 4.482 0.471 194 H VAL 25 H VAL 25 -3.682 5.681 -1.490 195 HA VAL 25 HA VAL 25 -4.870 3.354 -0.390 196 HB VAL 25 HB VAL 25 -5.923 5.369 -2.389 197 HG11 VAL 25 1HG1 VAL 25 -8.144 4.324 -1.336 198 HG12 VAL 25 2HG1 VAL 25 -7.107 2.906 -1.177 199 HG13 VAL 25 3HG1 VAL 25 -7.387 3.619 -2.765 200 HG21 VAL 25 3HG2 VAL 25 -7.062 5.200 0.315 201 HG22 VAL 25 1HG2 VAL 25 -6.519 6.615 -0.586 202 HG23 VAL 25 2HG2 VAL 25 -5.354 5.636 0.306 203 H LEU 26 H LEU 26 -4.291 4.320 -3.772 204 HA LEU 26 HA LEU 26 -5.214 1.941 -4.953 205 HB2 LEU 26 2HB LEU 26 -3.409 4.169 -5.805 206 HB3 LEU 26 1HB LEU 26 -3.473 2.707 -6.788 207 HG LEU 26 HG LEU 26 -6.061 3.911 -5.899 208 HD11 LEU 26 1HD1 LEU 26 -6.024 5.382 -7.925 209 HD12 LEU 26 2HD1 LEU 26 -4.319 4.987 -8.139 210 HD13 LEU 26 3HD1 LEU 26 -4.848 5.867 -6.705 211 HD21 LEU 26 3HD2 LEU 26 -5.542 1.739 -7.327 212 HD22 LEU 26 1HD2 LEU 26 -5.391 2.902 -8.643 213 HD23 LEU 26 2HD2 LEU 26 -6.905 2.777 -7.747 214 H ILE 27 H ILE 27 -1.936 2.927 -3.975 215 HA ILE 27 HA ILE 27 -0.608 0.600 -4.842 216 HB ILE 27 HB ILE 27 -0.009 2.739 -2.832 217 HG12 ILE 27 2HG1 ILE 27 0.343 2.726 -5.452 218 HG13 ILE 27 1HG1 ILE 27 1.566 3.424 -4.394 219 HG21 ILE 27 1HG2 ILE 27 2.273 1.529 -2.609 220 HG22 ILE 27 2HG2 ILE 27 1.398 0.087 -3.123 221 HG23 ILE 27 3HG2 ILE 27 0.923 0.927 -1.647 222 HD11 ILE 27 3HD1 ILE 27 2.348 1.770 -6.232 223 HD12 ILE 27 1HD1 ILE 27 1.688 0.515 -5.183 224 HD13 ILE 27 2HD1 ILE 27 2.987 1.554 -4.605 225 H SER 28 H SER 28 -1.824 1.472 -1.600 226 HA SER 28 HA SER 28 -1.135 -0.855 -0.263 227 HB2 SER 28 2HB SER 28 -3.578 0.888 0.102 228 HB3 SER 28 1HB SER 28 -3.050 -0.342 1.247 229 HG SER 28 HG SER 28 -1.470 0.918 1.866 230 H LEU 29 H LEU 29 -4.022 -0.183 -2.193 231 HA LEU 29 HA LEU 29 -5.386 -2.594 -1.695 232 HB2 LEU 29 2HB LEU 29 -5.492 -0.470 -3.779 233 HB3 LEU 29 1HB LEU 29 -6.250 -2.015 -4.164 234 HG LEU 29 HG LEU 29 -6.801 -0.753 -1.497 235 HD11 LEU 29 1HD1 LEU 29 -7.419 1.125 -2.692 236 HD12 LEU 29 2HD1 LEU 29 -8.895 0.176 -2.869 237 HD13 LEU 29 3HD1 LEU 29 -7.710 0.215 -4.174 238 HD21 LEU 29 3HD2 LEU 29 -7.547 -3.101 -2.456 239 HD22 LEU 29 1HD2 LEU 29 -8.760 -2.140 -3.302 240 HD23 LEU 29 2HD2 LEU 29 -8.691 -2.119 -1.540 241 H LEU 30 H LEU 30 -3.096 -1.701 -4.264 242 HA LEU 30 HA LEU 30 -3.200 -4.152 -5.661 243 HB2 LEU 30 2HB LEU 30 -2.185 -1.944 -6.441 244 HB3 LEU 30 1HB LEU 30 -0.771 -2.369 -5.475 245 HG LEU 30 HG LEU 30 -1.146 -4.697 -6.826 246 HD11 LEU 30 1HD1 LEU 30 -1.816 -4.291 -9.081 247 HD12 LEU 30 2HD1 LEU 30 -1.799 -2.542 -8.844 248 HD13 LEU 30 3HD1 LEU 30 -3.046 -3.523 -8.075 249 HD21 LEU 30 3HD2 LEU 30 0.356 -2.259 -7.837 250 HD22 LEU 30 1HD2 LEU 30 0.672 -3.926 -8.313 251 HD23 LEU 30 2HD2 LEU 30 0.960 -3.416 -6.651 252 H LEU 31 H LEU 31 -1.055 -3.005 -3.069 253 HA LEU 31 HA LEU 31 0.680 -5.192 -2.961 254 HB2 LEU 31 2HB LEU 31 1.132 -3.140 -1.742 255 HB3 LEU 31 1HB LEU 31 -0.291 -3.393 -0.732 256 HG LEU 31 HG LEU 31 1.516 -5.704 -0.794 257 HD11 LEU 31 1HD1 LEU 31 2.474 -3.006 0.173 258 HD12 LEU 31 2HD1 LEU 31 3.315 -4.157 -0.867 259 HD13 LEU 31 3HD1 LEU 31 3.101 -4.512 0.847 260 HD21 LEU 31 3HD2 LEU 31 0.573 -4.051 1.554 261 HD22 LEU 31 1HD2 LEU 31 0.988 -5.765 1.528 262 HD23 LEU 31 2HD2 LEU 31 -0.484 -5.200 0.737 263 H THR 32 H THR 32 -2.428 -4.650 -1.345 264 HA THR 32 HA THR 32 -2.416 -7.056 0.161 265 HB THR 32 HB THR 32 -5.057 -6.542 -0.134 266 HG1 THR 32 1HG THR 32 -3.917 -3.987 -0.294 267 HG21 THR 32 3HG2 THR 32 -3.018 -5.102 1.578 268 HG22 THR 32 1HG2 THR 32 -3.937 -6.547 1.998 269 HG23 THR 32 2HG2 THR 32 -4.760 -4.996 1.841 270 H VAL 33 H VAL 33 -3.785 -6.194 -3.002 271 HA VAL 33 HA VAL 33 -5.124 -8.581 -3.551 272 HB VAL 33 HB VAL 33 -3.702 -6.688 -5.434 273 HG11 VAL 33 1HG1 VAL 33 -5.426 -7.740 -7.061 274 HG12 VAL 33 2HG1 VAL 33 -5.503 -9.063 -5.899 275 HG13 VAL 33 3HG1 VAL 33 -3.976 -8.669 -6.687 276 HG21 VAL 33 3HG2 VAL 33 -6.013 -6.405 -3.847 277 HG22 VAL 33 1HG2 VAL 33 -6.599 -6.716 -5.481 278 HG23 VAL 33 2HG2 VAL 33 -5.509 -5.364 -5.178 279 H LEU 34 H LEU 34 -1.748 -7.689 -4.233 280 HA LEU 34 HA LEU 34 -0.976 -10.017 -5.585 281 HB2 LEU 34 2HB LEU 34 0.502 -8.080 -3.832 282 HB3 LEU 34 1HB LEU 34 1.322 -9.425 -4.628 283 HG LEU 34 HG LEU 34 -0.460 -7.758 -6.339 284 HD11 LEU 34 1HD1 LEU 34 2.202 -6.795 -5.254 285 HD12 LEU 34 2HD1 LEU 34 0.645 -5.977 -5.145 286 HD13 LEU 34 3HD1 LEU 34 1.445 -6.138 -6.703 287 HD21 LEU 34 3HD2 LEU 34 2.347 -8.831 -6.749 288 HD22 LEU 34 1HD2 LEU 34 1.245 -8.240 -7.994 289 HD23 LEU 34 2HD2 LEU 34 0.881 -9.734 -7.132 290 H ALA 35 H ALA 35 -0.692 -9.236 -2.114 291 HA ALA 35 HA ALA 35 0.391 -11.718 -1.326 292 HB1 ALA 35 1HB ALA 35 0.632 -10.203 0.379 293 HB2 ALA 35 2HB ALA 35 -0.866 -10.959 0.921 294 HB3 ALA 35 3HB ALA 35 -0.918 -9.426 0.049 295 H LEU 36 H LEU 36 -2.872 -10.597 -1.861 296 HA LEU 36 HA LEU 36 -4.189 -12.815 -0.625 297 HB2 LEU 36 2HB LEU 36 -5.142 -10.474 -1.299 298 HB3 LEU 36 1HB LEU 36 -5.423 -11.240 -2.862 299 HG LEU 36 HG LEU 36 -6.472 -13.166 -1.385 300 HD11 LEU 36 1HD1 LEU 36 -5.732 -11.602 0.671 301 HD12 LEU 36 2HD1 LEU 36 -7.171 -12.620 0.739 302 HD13 LEU 36 3HD1 LEU 36 -7.321 -10.903 0.361 303 HD21 LEU 36 3HD2 LEU 36 -7.734 -11.907 -3.033 304 HD22 LEU 36 1HD2 LEU 36 -7.794 -10.501 -1.971 305 HD23 LEU 36 2HD2 LEU 36 -8.675 -11.968 -1.543 306 H LEU 37 H LEU 37 -3.344 -12.039 -3.985 307 HA LEU 37 HA LEU 37 -4.464 -14.391 -5.116 308 HB2 LEU 37 2HB LEU 37 -2.951 -12.097 -6.016 309 HB3 LEU 37 1HB LEU 37 -2.323 -13.574 -6.747 310 HG LEU 37 HG LEU 37 -5.270 -12.869 -6.691 311 HD11 LEU 37 1HD1 LEU 37 -4.282 -11.177 -8.040 312 HD12 LEU 37 2HD1 LEU 37 -4.822 -12.408 -9.182 313 HD13 LEU 37 3HD1 LEU 37 -3.118 -12.302 -8.739 314 HD21 LEU 37 3HD2 LEU 37 -3.900 -15.254 -7.224 315 HD22 LEU 37 1HD2 LEU 37 -4.266 -14.593 -8.818 316 HD23 LEU 37 2HD2 LEU 37 -5.569 -14.888 -7.665 317 H SER 38 H SER 38 -1.238 -13.575 -3.907 318 HA SER 38 HA SER 38 0.125 -15.865 -4.775 319 HB2 SER 38 2HB SER 38 1.028 -13.715 -3.633 320 HB3 SER 38 1HB SER 38 0.693 -14.560 -2.124 321 HG SER 38 HG SER 38 2.851 -14.848 -3.092 322 H HIS 39 H HIS 39 -1.692 -15.257 -1.777 323 HA HIS 39 HA HIS 39 -1.155 -17.764 -0.576 324 HB2 HIS 39 2HB HIS 39 -2.866 -15.459 -0.065 325 HB3 HIS 39 1HB HIS 39 -3.646 -16.979 0.372 326 HD2 HIS 39 2HD HIS 39 -1.827 -14.606 2.364 327 HE1 HIS 39 1HE HIS 39 0.032 -18.223 3.497 328 HE2 HIS 39 2HE HIS 39 -0.297 -15.784 4.122 329 H ARG 40 H ARG 40 -3.898 -16.604 -2.521 330 HA ARG 40 HA ARG 40 -5.448 -18.937 -2.434 331 HB2 ARG 40 2HB ARG 40 -5.412 -16.468 -3.940 332 HB3 ARG 40 1HB ARG 40 -5.810 -17.827 -4.991 333 HG2 ARG 40 2HG ARG 40 -7.551 -18.545 -3.366 334 HG3 ARG 40 1HG ARG 40 -7.184 -17.131 -2.377 335 HD2 ARG 40 2HD ARG 40 -7.554 -16.155 -4.994 336 HD3 ARG 40 1HD ARG 40 -8.851 -17.320 -4.734 337 HE ARG 40 HE ARG 40 -8.961 -15.879 -2.465 338 HH11 ARG 40 1HH2 ARG 40 -8.677 -14.984 -5.796 339 HH12 ARG 40 2HH2 ARG 40 -9.517 -13.482 -5.607 340 HH21 ARG 40 1HH1 ARG 40 -10.064 -13.910 -2.210 341 HH22 ARG 40 2HH1 ARG 40 -10.302 -12.873 -3.576 342 H ARG 41 H ARG 41 -2.816 -17.990 -4.605 343 HA ARG 41 HA ARG 41 -3.030 -20.171 -6.390 344 HB2 ARG 41 2HB ARG 41 -0.767 -18.328 -5.638 345 HB3 ARG 41 1HB ARG 41 -0.552 -19.630 -6.808 346 HG2 ARG 41 2HG ARG 41 -2.161 -18.711 -8.292 347 HG3 ARG 41 1HG ARG 41 -2.803 -17.633 -7.054 348 HD2 ARG 41 2HD ARG 41 -0.693 -16.377 -7.031 349 HD3 ARG 41 1HD ARG 41 -0.015 -17.471 -8.233 350 HE ARG 41 HE ARG 41 -2.270 -16.538 -9.443 351 HH11 ARG 41 1HH2 ARG 41 0.420 -15.071 -7.834 352 HH12 ARG 41 2HH2 ARG 41 0.379 -13.626 -8.788 353 HH21 ARG 41 1HH1 ARG 41 -2.329 -14.644 -10.697 354 HH22 ARG 41 2HH1 ARG 41 -1.177 -13.385 -10.409 355 H THR 42 H THR 42 -1.124 -19.698 -3.431 356 HA THR 42 HA THR 42 0.373 -22.046 -3.473 357 HB THR 42 HB THR 42 -0.800 -20.983 -0.917 358 HG1 THR 42 1HG THR 42 -0.168 -19.217 -2.254 359 HG21 THR 42 3HG2 THR 42 1.058 -21.906 0.054 360 HG22 THR 42 1HG2 THR 42 2.087 -21.554 -1.336 361 HG23 THR 42 2HG2 THR 42 0.996 -22.941 -1.373 362 H LEU 43 H LEU 43 -2.852 -21.487 -2.056 363 HA LEU 43 HA LEU 43 -3.236 -24.143 -1.150 364 HB2 LEU 43 2HB LEU 43 -4.678 -21.713 -1.099 365 HB3 LEU 43 1HB LEU 43 -5.730 -22.902 -1.866 366 HG LEU 43 HG LEU 43 -4.286 -23.303 0.770 367 HD11 LEU 43 1HD1 LEU 43 -6.114 -21.641 0.908 368 HD12 LEU 43 2HD1 LEU 43 -6.531 -23.125 1.765 369 HD13 LEU 43 3HD1 LEU 43 -7.219 -22.803 0.173 370 HD21 LEU 43 3HD2 LEU 43 -6.461 -25.090 0.383 371 HD22 LEU 43 1HD2 LEU 43 -4.743 -25.485 0.444 372 HD23 LEU 43 2HD2 LEU 43 -5.509 -25.117 -1.102 373 H GLN 44 H GLN 44 -4.115 -22.490 -4.162 374 HA GLN 44 HA GLN 44 -5.614 -24.558 -5.329 375 HB2 GLN 44 2HB GLN 44 -4.934 -22.027 -6.071 376 HB3 GLN 44 1HB GLN 44 -3.925 -22.978 -7.162 377 HG2 GLN 44 2HG GLN 44 -5.990 -22.706 -8.311 378 HG3 GLN 44 1HG GLN 44 -6.031 -24.348 -7.668 379 HE21 GLN 44 1HE2 GLN 44 -8.511 -23.461 -8.145 380 HE22 GLN 44 2HE2 GLN 44 -9.291 -22.919 -6.738 381 H GLN 45 H GLN 45 -2.132 -23.846 -5.501 382 HA GLN 45 HA GLN 45 -1.418 -25.896 -7.282 383 HB2 GLN 45 2HB GLN 45 -0.082 -23.933 -5.775 384 HB3 GLN 45 1HB GLN 45 0.627 -25.476 -5.291 385 HG2 GLN 45 2HG GLN 45 0.906 -26.049 -7.712 386 HG3 GLN 45 1HG GLN 45 0.335 -24.432 -8.121 387 HE21 GLN 45 1HE2 GLN 45 3.143 -26.212 -7.529 388 HE22 GLN 45 2HE2 GLN 45 4.188 -24.922 -7.173 389 H LYS 46 H LYS 46 -1.572 -25.876 -3.729 390 HA LYS 46 HA LYS 46 -0.639 -28.512 -3.342 391 HB2 LYS 46 2HB LYS 46 -2.324 -26.639 -1.692 392 HB3 LYS 46 1HB LYS 46 -1.985 -28.283 -1.146 393 HG2 LYS 46 2HG LYS 46 0.326 -27.898 -1.000 394 HG3 LYS 46 1HG LYS 46 0.254 -26.499 -2.072 395 HD2 LYS 46 2HD LYS 46 -0.875 -25.183 -0.377 396 HD3 LYS 46 1HD LYS 46 -1.013 -26.588 0.680 397 HE2 LYS 46 2HE LYS 46 1.559 -25.242 -0.198 398 HE3 LYS 46 1HE LYS 46 0.863 -25.221 1.421 399 HZ1 LYS 46 3HZ LYS 46 0.970 -27.824 1.018 400 HZ2 LYS 46 1HZ LYS 46 2.267 -26.954 1.678 401 HZ3 LYS 46 2HZ LYS 46 2.269 -27.358 0.028 402 H ILE 47 H ILE 47 -3.916 -27.199 -3.750 403 HA ILE 47 HA ILE 47 -5.265 -29.669 -3.361 404 HB ILE 47 HB ILE 47 -6.113 -27.174 -4.845 405 HG12 ILE 47 2HG1 ILE 47 -5.550 -27.255 -2.256 406 HG13 ILE 47 1HG1 ILE 47 -6.972 -26.395 -2.835 407 HG21 ILE 47 1HG2 ILE 47 -7.578 -29.696 -4.086 408 HG22 ILE 47 2HG2 ILE 47 -7.543 -28.865 -5.641 409 HG23 ILE 47 3HG2 ILE 47 -8.436 -28.170 -4.289 410 HD11 ILE 47 3HD1 ILE 47 -8.436 -28.121 -2.160 411 HD12 ILE 47 1HD1 ILE 47 -7.270 -28.024 -0.844 412 HD13 ILE 47 2HD1 ILE 47 -7.135 -29.304 -2.046 413 H TRP 48 H TRP 48 -3.996 -28.023 -6.220 414 HA TRP 48 HA TRP 48 -4.349 -30.532 -7.728 415 HB2 TRP 48 2HB TRP 48 -5.297 -27.793 -8.433 416 HB3 TRP 48 1HB TRP 48 -4.700 -28.830 -9.729 417 HD1 TRP 48 HD TRP 48 -7.760 -28.077 -7.914 418 HE1 TRP 48 1HE TRP 48 -9.512 -29.945 -8.209 419 HE3 TRP 48 3HE TRP 48 -4.801 -31.763 -9.847 420 HZ2 TRP 48 2HZ TRP 48 -9.641 -32.646 -9.141 421 HZ3 TRP 48 3HZ TRP 48 -5.764 -33.973 -10.429 422 HH2 TRP 48 HH TRP 48 -8.178 -34.418 -10.079 423 HA PRO 49 HA PRO 49 0.056 -28.967 -7.727 424 HB2 PRO 49 2HB PRO 49 0.434 -31.911 -7.976 425 HB3 PRO 49 1HB PRO 49 1.271 -30.751 -6.928 426 HG2 PRO 49 2HG PRO 49 -0.540 -32.440 -5.955 427 HG3 PRO 49 1HG PRO 49 -0.386 -30.785 -5.338 428 HD2 PRO 49 2HD PRO 49 -2.474 -31.930 -7.152 429 HD3 PRO 49 1HD PRO 49 -2.630 -30.681 -5.897 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -0.793 40.355 -8.015 2 H2 MET 1 2HT MET 1 -0.315 41.852 -8.661 3 H3 MET 1 3HT MET 1 -1.371 41.796 -7.332 4 HA MET 1 HA MET 1 1.360 42.042 -7.246 5 HB2 MET 1 2HB MET 1 -0.915 42.023 -5.497 6 HB3 MET 1 1HB MET 1 0.388 41.104 -4.740 7 HG2 MET 1 2HG MET 1 1.933 42.969 -5.046 8 HG3 MET 1 1HG MET 1 0.698 43.883 -5.911 9 HE1 MET 1 2HE MET 1 2.220 44.989 -2.934 10 HE2 MET 1 3HE MET 1 0.801 46.032 -2.918 11 HE3 MET 1 1HE MET 1 1.559 45.584 -4.454 12 H SER 2 H SER 2 0.141 39.356 -8.331 13 HA SER 2 HA SER 2 0.722 37.130 -8.356 14 HB2 SER 2 2HB SER 2 2.940 38.417 -8.811 15 HB3 SER 2 1HB SER 2 3.369 37.922 -7.176 16 HG SER 2 HG SER 2 2.712 36.304 -9.408 17 H GLU 3 H GLU 3 -0.027 38.617 -5.670 18 HA GLU 3 HA GLU 3 0.517 36.264 -3.963 19 HB2 GLU 3 2HB GLU 3 0.742 39.189 -3.277 20 HB3 GLU 3 1HB GLU 3 0.514 37.953 -2.038 21 HG2 GLU 3 2HG GLU 3 2.713 37.800 -4.110 22 HG3 GLU 3 1HG GLU 3 2.938 38.567 -2.539 23 HA PRO 4 HA PRO 4 -4.031 37.481 -4.255 24 HB2 PRO 4 2HB PRO 4 -4.906 35.094 -5.298 25 HB3 PRO 4 1HB PRO 4 -4.435 36.490 -6.286 26 HG2 PRO 4 2HG PRO 4 -2.909 34.022 -5.644 27 HG3 PRO 4 1HG PRO 4 -2.975 34.954 -7.149 28 HD2 PRO 4 2HD PRO 4 -0.891 35.114 -5.385 29 HD3 PRO 4 1HD PRO 4 -1.372 36.450 -6.453 30 H ALA 5 H ALA 5 -5.761 36.595 -2.966 31 HA ALA 5 HA ALA 5 -4.921 35.430 -0.535 32 HB1 ALA 5 1HB ALA 5 -6.928 36.877 -0.772 33 HB2 ALA 5 2HB ALA 5 -7.287 35.352 0.037 34 HB3 ALA 5 3HB ALA 5 -7.728 35.577 -1.655 35 H SER 6 H SER 6 -5.301 34.020 -3.501 36 HA SER 6 HA SER 6 -6.583 31.582 -2.971 37 HB2 SER 6 2HB SER 6 -5.945 31.015 -5.076 38 HB3 SER 6 1HB SER 6 -5.456 32.703 -5.179 39 HG SER 6 HG SER 6 -3.935 30.587 -5.409 40 H LEU 7 H LEU 7 -3.305 32.673 -2.303 41 HA LEU 7 HA LEU 7 -2.098 30.205 -1.776 42 HB2 LEU 7 2HB LEU 7 -1.593 33.041 -1.116 43 HB3 LEU 7 1HB LEU 7 -0.858 31.866 -0.032 44 HG LEU 7 HG LEU 7 0.166 30.715 -1.959 45 HD11 LEU 7 1HD1 LEU 7 -1.419 32.790 -3.450 46 HD12 LEU 7 2HD1 LEU 7 -1.265 31.064 -3.778 47 HD13 LEU 7 3HD1 LEU 7 0.070 32.154 -4.149 48 HD21 LEU 7 3HD2 LEU 7 0.708 33.493 -1.184 49 HD22 LEU 7 1HD2 LEU 7 1.329 33.093 -2.785 50 HD23 LEU 7 2HD2 LEU 7 1.829 32.146 -1.385 51 H LEU 8 H LEU 8 -3.666 32.483 0.482 52 HA LEU 8 HA LEU 8 -3.411 30.856 2.760 53 HB2 LEU 8 2HB LEU 8 -5.217 33.135 2.008 54 HB3 LEU 8 1HB LEU 8 -5.449 32.281 3.531 55 HG LEU 8 HG LEU 8 -3.955 34.304 3.697 56 HD11 LEU 8 1HD1 LEU 8 -3.685 31.818 4.910 57 HD12 LEU 8 2HD1 LEU 8 -2.869 33.296 5.417 58 HD13 LEU 8 3HD1 LEU 8 -2.056 32.164 4.337 59 HD21 LEU 8 3HD2 LEU 8 -2.918 33.828 1.404 60 HD22 LEU 8 1HD2 LEU 8 -1.932 32.615 2.221 61 HD23 LEU 8 2HD2 LEU 8 -1.805 34.312 2.679 62 H THR 9 H THR 9 -5.873 31.054 0.274 63 HA THR 9 HA THR 9 -7.804 29.427 1.531 64 HB THR 9 HB THR 9 -7.615 29.228 -1.404 65 HG1 THR 9 1HG THR 9 -6.781 31.393 -0.579 66 HG21 THR 9 3HG2 THR 9 -9.753 30.187 0.524 67 HG22 THR 9 1HG2 THR 9 -9.623 28.564 -0.156 68 HG23 THR 9 2HG2 THR 9 -9.978 29.933 -1.206 69 H ALA 10 H ALA 10 -5.022 28.683 -0.441 70 HA ALA 10 HA ALA 10 -5.567 25.945 -0.874 71 HB1 ALA 10 1HB ALA 10 -3.324 27.759 -1.269 72 HB2 ALA 10 2HB ALA 10 -3.806 26.348 -2.212 73 HB3 ALA 10 3HB ALA 10 -2.797 26.148 -0.779 74 H SER 11 H SER 11 -5.265 27.436 1.981 75 HA SER 11 HA SER 11 -3.505 25.708 3.408 76 HB2 SER 11 2HB SER 11 -3.960 27.873 4.341 77 HB3 SER 11 1HB SER 11 -5.695 27.574 4.323 78 HG SER 11 HG SER 11 -4.847 25.604 5.662 79 H ASP 12 H ASP 12 -6.540 25.241 2.103 80 HA ASP 12 HA ASP 12 -6.964 22.871 3.813 81 HB2 ASP 12 2HB ASP 12 -8.570 24.756 4.338 82 HB3 ASP 12 1HB ASP 12 -9.201 24.573 2.702 83 H LEU 13 H LEU 13 -6.265 23.953 0.822 84 HA LEU 13 HA LEU 13 -7.772 21.819 -0.552 85 HB2 LEU 13 2HB LEU 13 -6.221 23.958 -1.978 86 HB3 LEU 13 1HB LEU 13 -7.620 23.036 -2.532 87 HG LEU 13 HG LEU 13 -7.663 25.088 -0.306 88 HD11 LEU 13 1HD1 LEU 13 -8.851 26.510 -1.877 89 HD12 LEU 13 2HD1 LEU 13 -8.810 25.246 -3.106 90 HD13 LEU 13 3HD1 LEU 13 -7.315 26.034 -2.599 91 HD21 LEU 13 3HD2 LEU 13 -9.389 23.515 0.128 92 HD22 LEU 13 1HD2 LEU 13 -9.750 23.316 -1.585 93 HD23 LEU 13 2HD2 LEU 13 -10.195 24.808 -0.756 94 H ASP 14 H ASP 14 -4.715 22.704 0.609 95 HA ASP 14 HA ASP 14 -2.665 21.972 -0.824 96 HB2 ASP 14 2HB ASP 14 -1.907 20.353 1.017 97 HB3 ASP 14 1HB ASP 14 -2.233 22.023 1.465 98 HA PRO 15 HA PRO 15 -4.651 18.378 -2.960 99 HB2 PRO 15 2HB PRO 15 -2.467 19.040 -4.873 100 HB3 PRO 15 1HB PRO 15 -4.193 18.772 -5.181 101 HG2 PRO 15 2HG PRO 15 -3.133 21.210 -5.265 102 HG3 PRO 15 1HG PRO 15 -4.763 20.929 -4.630 103 HD2 PRO 15 2HD PRO 15 -2.228 21.473 -3.136 104 HD3 PRO 15 1HD PRO 15 -3.887 22.003 -2.780 105 H LEU 16 H LEU 16 -1.433 19.068 -1.906 106 HA LEU 16 HA LEU 16 -0.046 16.762 -2.618 107 HB2 LEU 16 2HB LEU 16 0.319 18.956 -0.812 108 HB3 LEU 16 1HB LEU 16 0.742 17.458 0.017 109 HG LEU 16 HG LEU 16 2.180 16.837 -1.929 110 HD11 LEU 16 1HD1 LEU 16 2.424 19.502 -3.023 111 HD12 LEU 16 2HD1 LEU 16 0.760 18.941 -3.172 112 HD13 LEU 16 3HD1 LEU 16 2.075 17.991 -3.861 113 HD21 LEU 16 3HD2 LEU 16 3.536 19.269 -1.466 114 HD22 LEU 16 1HD2 LEU 16 3.757 17.749 -0.600 115 HD23 LEU 16 2HD2 LEU 16 2.613 18.950 0.003 116 H ILE 17 H ILE 17 -2.169 17.358 0.152 117 HA ILE 17 HA ILE 17 -1.752 14.887 1.455 118 HB ILE 17 HB ILE 17 -4.345 16.426 1.502 119 HG12 ILE 17 2HG1 ILE 17 -2.643 18.110 1.754 120 HG13 ILE 17 1HG1 ILE 17 -3.235 17.736 3.373 121 HG21 ILE 17 1HG2 ILE 17 -4.250 14.290 2.730 122 HG22 ILE 17 2HG2 ILE 17 -4.345 15.650 3.851 123 HG23 ILE 17 3HG2 ILE 17 -2.803 14.838 3.578 124 HD11 ILE 17 3HD1 ILE 17 -1.307 16.024 3.487 125 HD12 ILE 17 1HD1 ILE 17 -0.876 17.730 3.599 126 HD13 ILE 17 2HD1 ILE 17 -0.651 16.863 2.081 127 H LEU 18 H LEU 18 -4.058 15.905 -1.031 128 HA LEU 18 HA LEU 18 -5.548 13.473 -1.060 129 HB2 LEU 18 2HB LEU 18 -5.295 15.853 -2.859 130 HB3 LEU 18 1HB LEU 18 -6.084 14.402 -3.474 131 HG LEU 18 HG LEU 18 -6.903 15.332 -0.763 132 HD11 LEU 18 1HD1 LEU 18 -6.992 17.463 -1.760 133 HD12 LEU 18 2HD1 LEU 18 -8.619 16.829 -2.011 134 HD13 LEU 18 3HD1 LEU 18 -7.450 16.810 -3.332 135 HD21 LEU 18 3HD2 LEU 18 -8.603 14.484 -3.113 136 HD22 LEU 18 1HD2 LEU 18 -8.974 14.360 -1.393 137 HD23 LEU 18 2HD2 LEU 18 -7.762 13.299 -2.113 138 H THR 19 H THR 19 -2.713 14.623 -2.800 139 HA THR 19 HA THR 19 -2.597 12.522 -4.701 140 HB THR 19 HB THR 19 -0.099 13.828 -3.704 141 HG1 THR 19 1HG THR 19 -2.254 15.205 -4.109 142 HG21 THR 19 3HG2 THR 19 0.605 13.545 -5.888 143 HG22 THR 19 1HG2 THR 19 -1.024 13.704 -6.545 144 HG23 THR 19 2HG2 THR 19 -0.530 12.202 -5.762 145 H LEU 20 H LEU 20 -0.924 13.003 -1.586 146 HA LEU 20 HA LEU 20 0.485 10.568 -1.599 147 HB2 LEU 20 2HB LEU 20 -0.218 12.638 0.394 148 HB3 LEU 20 1HB LEU 20 0.134 11.040 1.051 149 HG LEU 20 HG LEU 20 1.956 12.283 -1.000 150 HD11 LEU 20 1HD1 LEU 20 3.334 13.059 0.978 151 HD12 LEU 20 2HD1 LEU 20 1.924 12.752 1.993 152 HD13 LEU 20 3HD1 LEU 20 1.846 13.969 0.717 153 HD21 LEU 20 3HD2 LEU 20 2.898 10.623 1.278 154 HD22 LEU 20 1HD2 LEU 20 3.380 10.583 -0.418 155 HD23 LEU 20 2HD2 LEU 20 1.884 9.802 0.093 156 H SER 21 H SER 21 -2.712 11.436 -0.338 157 HA SER 21 HA SER 21 -3.267 8.948 0.896 158 HB2 SER 21 2HB SER 21 -5.085 11.102 -0.192 159 HB3 SER 21 1HB SER 21 -5.666 9.694 0.693 160 HG SER 21 HG SER 21 -4.220 10.354 2.399 161 H LEU 22 H LEU 22 -4.228 10.256 -2.283 162 HA LEU 22 HA LEU 22 -5.639 8.059 -3.231 163 HB2 LEU 22 2HB LEU 22 -4.157 10.314 -4.462 164 HB3 LEU 22 1HB LEU 22 -4.482 8.933 -5.509 165 HG LEU 22 HG LEU 22 -6.651 10.146 -3.797 166 HD11 LEU 22 1HD1 LEU 22 -5.792 11.980 -5.146 167 HD12 LEU 22 2HD1 LEU 22 -7.320 11.434 -5.839 168 HD13 LEU 22 3HD1 LEU 22 -5.793 10.966 -6.589 169 HD21 LEU 22 3HD2 LEU 22 -8.013 8.702 -4.895 170 HD22 LEU 22 1HD2 LEU 22 -6.537 7.869 -5.376 171 HD23 LEU 22 2HD2 LEU 22 -7.268 9.057 -6.454 172 H ILE 23 H ILE 23 -2.153 8.639 -3.200 173 HA ILE 23 HA ILE 23 -1.423 6.414 -4.779 174 HB ILE 23 HB ILE 23 -0.029 8.201 -2.838 175 HG12 ILE 23 2HG1 ILE 23 -0.398 8.440 -5.443 176 HG13 ILE 23 1HG1 ILE 23 1.149 8.885 -4.726 177 HG21 ILE 23 1HG2 ILE 23 2.071 6.775 -3.352 178 HG22 ILE 23 2HG2 ILE 23 0.938 5.478 -3.722 179 HG23 ILE 23 3HG2 ILE 23 0.971 6.190 -2.108 180 HD11 ILE 23 3HD1 ILE 23 1.176 7.353 -6.823 181 HD12 ILE 23 1HD1 ILE 23 0.667 6.079 -5.720 182 HD13 ILE 23 2HD1 ILE 23 2.200 6.907 -5.459 183 H LEU 24 H LEU 24 -1.172 6.786 -1.229 184 HA LEU 24 HA LEU 24 -0.588 4.137 -0.635 185 HB2 LEU 24 2HB LEU 24 -1.753 6.436 0.852 186 HB3 LEU 24 1HB LEU 24 -1.952 4.838 1.569 187 HG LEU 24 HG LEU 24 0.737 5.720 0.540 188 HD11 LEU 24 1HD1 LEU 24 0.453 7.479 2.021 189 HD12 LEU 24 2HD1 LEU 24 1.048 6.240 3.128 190 HD13 LEU 24 3HD1 LEU 24 -0.679 6.583 3.033 191 HD21 LEU 24 3HD2 LEU 24 -0.183 3.342 1.531 192 HD22 LEU 24 1HD2 LEU 24 0.420 4.110 2.999 193 HD23 LEU 24 2HD2 LEU 24 1.497 3.866 1.626 194 H VAL 25 H VAL 25 -3.608 5.627 -1.482 195 HA VAL 25 HA VAL 25 -5.287 3.498 -0.530 196 HB VAL 25 HB VAL 25 -5.749 5.808 -2.420 197 HG11 VAL 25 1HG1 VAL 25 -8.223 5.081 -1.994 198 HG12 VAL 25 2HG1 VAL 25 -7.521 3.501 -1.645 199 HG13 VAL 25 3HG1 VAL 25 -7.293 4.238 -3.231 200 HG21 VAL 25 3HG2 VAL 25 -7.313 5.482 0.058 201 HG22 VAL 25 1HG2 VAL 25 -6.501 6.913 -0.577 202 HG23 VAL 25 2HG2 VAL 25 -5.584 5.705 0.323 203 H LEU 26 H LEU 26 -4.246 4.536 -3.788 204 HA LEU 26 HA LEU 26 -5.381 2.340 -5.159 205 HB2 LEU 26 2HB LEU 26 -3.270 4.373 -5.796 206 HB3 LEU 26 1HB LEU 26 -3.507 2.998 -6.875 207 HG LEU 26 HG LEU 26 -5.955 4.444 -5.987 208 HD11 LEU 26 1HD1 LEU 26 -5.584 6.071 -7.914 209 HD12 LEU 26 2HD1 LEU 26 -3.891 5.579 -7.887 210 HD13 LEU 26 3HD1 LEU 26 -4.605 6.360 -6.477 211 HD21 LEU 26 3HD2 LEU 26 -5.668 2.409 -7.611 212 HD22 LEU 26 1HD2 LEU 26 -5.181 3.635 -8.780 213 HD23 LEU 26 2HD2 LEU 26 -6.786 3.700 -8.050 214 H ILE 27 H ILE 27 -2.204 2.859 -3.701 215 HA ILE 27 HA ILE 27 -1.027 0.468 -4.695 216 HB ILE 27 HB ILE 27 -0.353 2.380 -2.477 217 HG12 ILE 27 2HG1 ILE 27 0.097 2.615 -5.077 218 HG13 ILE 27 1HG1 ILE 27 1.332 3.091 -3.911 219 HG21 ILE 27 1HG2 ILE 27 1.811 0.945 -2.335 220 HG22 ILE 27 2HG2 ILE 27 0.822 -0.341 -3.027 221 HG23 ILE 27 3HG2 ILE 27 0.379 0.377 -1.478 222 HD11 ILE 27 3HD1 ILE 27 1.245 0.275 -4.997 223 HD12 ILE 27 1HD1 ILE 27 2.600 1.136 -4.269 224 HD13 ILE 27 2HD1 ILE 27 2.050 1.565 -5.887 225 H SER 28 H SER 28 -2.432 1.316 -1.533 226 HA SER 28 HA SER 28 -2.096 -1.140 -0.268 227 HB2 SER 28 2HB SER 28 -4.008 -0.457 1.155 228 HB3 SER 28 1HB SER 28 -2.846 0.847 0.928 229 HG SER 28 HG SER 28 -5.452 0.734 0.258 230 H LEU 29 H LEU 29 -4.695 -0.035 -2.398 231 HA LEU 29 HA LEU 29 -6.364 -2.297 -2.112 232 HB2 LEU 29 2HB LEU 29 -6.467 0.119 -3.499 233 HB3 LEU 29 1HB LEU 29 -6.475 -1.111 -4.763 234 HG LEU 29 HG LEU 29 -8.328 -1.038 -2.363 235 HD11 LEU 29 1HD1 LEU 29 -9.652 -0.969 -4.903 236 HD12 LEU 29 2HD1 LEU 29 -8.430 0.303 -4.879 237 HD13 LEU 29 3HD1 LEU 29 -9.672 0.249 -3.627 238 HD21 LEU 29 3HD2 LEU 29 -7.696 -3.075 -4.426 239 HD22 LEU 29 1HD2 LEU 29 -9.413 -2.797 -4.138 240 HD23 LEU 29 2HD2 LEU 29 -8.363 -3.284 -2.808 241 H LEU 30 H LEU 30 -3.890 -1.491 -4.542 242 HA LEU 30 HA LEU 30 -4.136 -3.795 -6.119 243 HB2 LEU 30 2HB LEU 30 -2.680 -1.588 -6.376 244 HB3 LEU 30 1HB LEU 30 -1.433 -2.612 -5.665 245 HG LEU 30 HG LEU 30 -2.286 -4.359 -7.455 246 HD11 LEU 30 1HD1 LEU 30 -3.414 -3.538 -9.285 247 HD12 LEU 30 2HD1 LEU 30 -2.718 -1.926 -9.122 248 HD13 LEU 30 3HD1 LEU 30 -4.046 -2.423 -8.072 249 HD21 LEU 30 3HD2 LEU 30 -0.016 -3.485 -7.401 250 HD22 LEU 30 1HD2 LEU 30 -0.554 -1.947 -8.076 251 HD23 LEU 30 2HD2 LEU 30 -0.607 -3.410 -9.060 252 H LEU 31 H LEU 31 -2.078 -3.160 -3.292 253 HA LEU 31 HA LEU 31 -0.737 -5.629 -3.281 254 HB2 LEU 31 2HB LEU 31 -0.820 -3.320 -1.654 255 HB3 LEU 31 1HB LEU 31 -1.196 -4.677 -0.597 256 HG LEU 31 HG LEU 31 1.230 -4.300 -0.681 257 HD11 LEU 31 1HD1 LEU 31 1.098 -6.748 -2.306 258 HD12 LEU 31 2HD1 LEU 31 -0.082 -6.702 -0.997 259 HD13 LEU 31 3HD1 LEU 31 1.637 -6.534 -0.641 260 HD21 LEU 31 3HD2 LEU 31 2.344 -3.868 -2.609 261 HD22 LEU 31 1HD2 LEU 31 0.755 -3.674 -3.349 262 HD23 LEU 31 2HD2 LEU 31 1.583 -5.229 -3.435 263 H THR 32 H THR 32 -3.830 -4.643 -1.916 264 HA THR 32 HA THR 32 -4.329 -6.940 -0.364 265 HB THR 32 HB THR 32 -6.406 -5.287 -1.810 266 HG1 THR 32 1HG THR 32 -4.829 -4.785 0.465 267 HG21 THR 32 3HG2 THR 32 -7.169 -7.359 -0.671 268 HG22 THR 32 1HG2 THR 32 -7.803 -5.905 0.099 269 HG23 THR 32 2HG2 THR 32 -6.454 -6.771 0.832 270 H VAL 33 H VAL 33 -5.202 -6.159 -3.729 271 HA VAL 33 HA VAL 33 -6.521 -8.624 -4.244 272 HB VAL 33 HB VAL 33 -5.204 -6.706 -6.183 273 HG11 VAL 33 1HG1 VAL 33 -7.450 -7.988 -7.308 274 HG12 VAL 33 2HG1 VAL 33 -6.525 -9.264 -6.516 275 HG13 VAL 33 3HG1 VAL 33 -5.759 -8.245 -7.735 276 HG21 VAL 33 3HG2 VAL 33 -6.897 -5.595 -4.810 277 HG22 VAL 33 1HG2 VAL 33 -8.040 -6.902 -5.119 278 HG23 VAL 33 2HG2 VAL 33 -7.534 -5.843 -6.435 279 H LEU 34 H LEU 34 -3.184 -7.520 -4.663 280 HA LEU 34 HA LEU 34 -2.250 -9.772 -6.102 281 HB2 LEU 34 2HB LEU 34 -0.890 -7.802 -4.279 282 HB3 LEU 34 1HB LEU 34 -0.003 -9.037 -5.172 283 HG LEU 34 HG LEU 34 -1.917 -7.249 -6.652 284 HD11 LEU 34 1HD1 LEU 34 -0.729 -5.431 -5.966 285 HD12 LEU 34 2HD1 LEU 34 0.506 -6.035 -7.069 286 HD13 LEU 34 3HD1 LEU 34 0.605 -6.412 -5.352 287 HD21 LEU 34 3HD2 LEU 34 0.759 -8.100 -7.664 288 HD22 LEU 34 1HD2 LEU 34 -0.778 -7.978 -8.520 289 HD23 LEU 34 2HD2 LEU 34 -0.459 -9.357 -7.469 290 H ALA 35 H ALA 35 -2.060 -8.991 -2.627 291 HA ALA 35 HA ALA 35 -0.845 -11.374 -1.791 292 HB1 ALA 35 1HB ALA 35 -2.504 -10.698 0.310 293 HB2 ALA 35 2HB ALA 35 -2.295 -9.162 -0.533 294 HB3 ALA 35 3HB ALA 35 -0.886 -10.054 0.038 295 H LEU 36 H LEU 36 -4.163 -10.607 -2.566 296 HA LEU 36 HA LEU 36 -5.321 -12.953 -1.416 297 HB2 LEU 36 2HB LEU 36 -6.230 -10.663 -2.911 298 HB3 LEU 36 1HB LEU 36 -6.924 -12.129 -3.597 299 HG LEU 36 HG LEU 36 -8.352 -11.201 -1.799 300 HD11 LEU 36 1HD1 LEU 36 -7.376 -13.586 -0.404 301 HD12 LEU 36 2HD1 LEU 36 -7.557 -13.838 -2.138 302 HD13 LEU 36 3HD1 LEU 36 -8.935 -13.301 -1.178 303 HD21 LEU 36 3HD2 LEU 36 -6.652 -11.982 0.425 304 HD22 LEU 36 1HD2 LEU 36 -7.477 -10.449 0.142 305 HD23 LEU 36 2HD2 LEU 36 -5.879 -10.730 -0.548 306 H LEU 37 H LEU 37 -4.459 -12.121 -4.766 307 HA LEU 37 HA LEU 37 -5.147 -14.605 -5.902 308 HB2 LEU 37 2HB LEU 37 -3.247 -12.414 -6.714 309 HB3 LEU 37 1HB LEU 37 -3.420 -13.883 -7.674 310 HG LEU 37 HG LEU 37 -5.931 -12.520 -6.836 311 HD11 LEU 37 1HD1 LEU 37 -3.953 -11.410 -8.830 312 HD12 LEU 37 2HD1 LEU 37 -4.780 -10.561 -7.524 313 HD13 LEU 37 3HD1 LEU 37 -5.680 -11.074 -8.952 314 HD21 LEU 37 3HD2 LEU 37 -6.648 -13.296 -9.042 315 HD22 LEU 37 1HD2 LEU 37 -5.858 -14.621 -8.186 316 HD23 LEU 37 2HD2 LEU 37 -4.993 -13.745 -9.450 317 H SER 38 H SER 38 -2.160 -13.424 -4.424 318 HA SER 38 HA SER 38 -0.516 -15.622 -5.105 319 HB2 SER 38 2HB SER 38 1.066 -14.576 -3.849 320 HB3 SER 38 1HB SER 38 -0.079 -13.238 -3.894 321 HG SER 38 HG SER 38 0.447 -13.633 -1.764 322 H HIS 39 H HIS 39 -2.525 -14.970 -2.243 323 HA HIS 39 HA HIS 39 -1.838 -17.261 -0.772 324 HB2 HIS 39 2HB HIS 39 -3.068 -15.401 0.223 325 HB3 HIS 39 1HB HIS 39 -4.446 -15.724 -0.831 326 HD2 HIS 39 2HD HIS 39 -5.897 -18.128 -0.183 327 HE1 HIS 39 1HE HIS 39 -3.977 -18.728 3.529 328 HE2 HIS 39 2HE HIS 39 -5.913 -19.466 2.060 329 H ARG 40 H ARG 40 -4.319 -16.732 -3.242 330 HA ARG 40 HA ARG 40 -5.539 -19.293 -2.997 331 HB2 ARG 40 2HB ARG 40 -6.599 -17.306 -4.086 332 HB3 ARG 40 1HB ARG 40 -5.471 -17.495 -5.430 333 HG2 ARG 40 2HG ARG 40 -6.326 -19.740 -5.877 334 HG3 ARG 40 1HG ARG 40 -7.397 -19.634 -4.480 335 HD2 ARG 40 2HD ARG 40 -8.907 -18.345 -5.582 336 HD3 ARG 40 1HD ARG 40 -7.654 -17.388 -6.366 337 HE ARG 40 HE ARG 40 -7.549 -19.850 -7.606 338 HH11 ARG 40 1HH2 ARG 40 -9.933 -17.412 -7.009 339 HH12 ARG 40 2HH2 ARG 40 -10.829 -17.739 -8.454 340 HH21 ARG 40 1HH1 ARG 40 -8.721 -20.285 -9.503 341 HH22 ARG 40 2HH1 ARG 40 -10.144 -19.365 -9.866 342 H ARG 41 H ARG 41 -3.073 -17.988 -5.205 343 HA ARG 41 HA ARG 41 -2.719 -20.234 -6.818 344 HB2 ARG 41 2HB ARG 41 -1.473 -17.745 -6.498 345 HB3 ARG 41 1HB ARG 41 -0.194 -18.933 -6.255 346 HG2 ARG 41 2HG ARG 41 -2.092 -18.842 -8.619 347 HG3 ARG 41 1HG ARG 41 -0.399 -18.352 -8.641 348 HD2 ARG 41 2HD ARG 41 -0.260 -20.881 -7.556 349 HD3 ARG 41 1HD ARG 41 -1.569 -21.046 -8.723 350 HE ARG 41 HE ARG 41 -0.003 -20.822 -10.422 351 HH11 ARG 41 1HH2 ARG 41 1.278 -19.728 -7.399 352 HH12 ARG 41 2HH2 ARG 41 2.886 -19.510 -8.001 353 HH21 ARG 41 1HH1 ARG 41 2.104 -20.540 -11.220 354 HH22 ARG 41 2HH1 ARG 41 3.355 -19.970 -10.165 355 H THR 42 H THR 42 -1.294 -19.433 -3.680 356 HA THR 42 HA THR 42 0.510 -21.619 -3.564 357 HB THR 42 HB THR 42 0.648 -21.122 -1.176 358 HG1 THR 42 1HG THR 42 -1.077 -20.430 -0.244 359 HG21 THR 42 3HG2 THR 42 1.943 -19.424 -1.885 360 HG22 THR 42 1HG2 THR 42 0.530 -18.375 -1.766 361 HG23 THR 42 2HG2 THR 42 0.914 -19.167 -3.294 362 H LEU 43 H LEU 43 -2.787 -21.170 -2.305 363 HA LEU 43 HA LEU 43 -3.076 -23.610 -0.992 364 HB2 LEU 43 2HB LEU 43 -4.852 -21.535 -2.049 365 HB3 LEU 43 1HB LEU 43 -5.582 -23.141 -2.045 366 HG LEU 43 HG LEU 43 -4.147 -21.986 0.356 367 HD11 LEU 43 1HD1 LEU 43 -6.034 -20.531 -0.135 368 HD12 LEU 43 2HD1 LEU 43 -6.447 -21.548 1.246 369 HD13 LEU 43 3HD1 LEU 43 -7.095 -21.922 -0.351 370 HD21 LEU 43 3HD2 LEU 43 -4.588 -23.984 1.311 371 HD22 LEU 43 1HD2 LEU 43 -5.081 -24.568 -0.277 372 HD23 LEU 43 2HD2 LEU 43 -6.281 -23.898 0.827 373 H GLN 44 H GLN 44 -3.454 -22.806 -4.412 374 HA GLN 44 HA GLN 44 -4.507 -25.342 -5.188 375 HB2 GLN 44 2HB GLN 44 -3.082 -23.232 -6.824 376 HB3 GLN 44 1HB GLN 44 -3.999 -24.589 -7.474 377 HG2 GLN 44 2HG GLN 44 -5.630 -23.252 -5.543 378 HG3 GLN 44 1HG GLN 44 -4.985 -22.044 -6.652 379 HE21 GLN 44 1HE2 GLN 44 -6.783 -25.147 -6.582 380 HE22 GLN 44 2HE2 GLN 44 -7.545 -24.913 -8.081 381 H GLN 45 H GLN 45 -1.257 -23.884 -5.411 382 HA GLN 45 HA GLN 45 0.035 -26.087 -6.574 383 HB2 GLN 45 2HB GLN 45 0.892 -23.698 -5.011 384 HB3 GLN 45 1HB GLN 45 2.049 -25.015 -5.198 385 HG2 GLN 45 2HG GLN 45 0.540 -23.974 -7.584 386 HG3 GLN 45 1HG GLN 45 1.985 -23.142 -7.013 387 HE21 GLN 45 1HE2 GLN 45 3.953 -24.720 -6.661 388 HE22 GLN 45 2HE2 GLN 45 4.155 -25.925 -7.837 389 H LYS 46 H LYS 46 -1.179 -25.614 -3.399 390 HA LYS 46 HA LYS 46 0.554 -27.581 -2.150 391 HB2 LYS 46 2HB LYS 46 -1.756 -25.891 -1.233 392 HB3 LYS 46 1HB LYS 46 -1.192 -27.241 -0.249 393 HG2 LYS 46 2HG LYS 46 0.879 -25.381 -1.314 394 HG3 LYS 46 1HG LYS 46 -0.147 -24.781 -0.012 395 HD2 LYS 46 2HD LYS 46 1.074 -27.509 0.246 396 HD3 LYS 46 1HD LYS 46 2.078 -26.091 0.550 397 HE2 LYS 46 2HE LYS 46 -0.626 -26.185 1.819 398 HE3 LYS 46 1HE LYS 46 0.643 -27.204 2.500 399 HZ1 LYS 46 3HZ LYS 46 1.644 -25.444 3.376 400 HZ2 LYS 46 1HZ LYS 46 0.265 -24.538 2.985 401 HZ3 LYS 46 2HZ LYS 46 1.585 -24.577 1.916 402 H ILE 47 H ILE 47 -2.873 -27.341 -3.083 403 HA ILE 47 HA ILE 47 -3.438 -30.064 -2.333 404 HB ILE 47 HB ILE 47 -5.024 -27.967 -2.552 405 HG12 ILE 47 2HG1 ILE 47 -6.874 -29.771 -3.220 406 HG13 ILE 47 1HG1 ILE 47 -5.524 -30.883 -2.994 407 HG21 ILE 47 1HG2 ILE 47 -6.164 -27.755 -4.608 408 HG22 ILE 47 2HG2 ILE 47 -5.528 -29.279 -5.222 409 HG23 ILE 47 3HG2 ILE 47 -4.469 -27.876 -5.069 410 HD11 ILE 47 3HD1 ILE 47 -6.522 -30.753 -0.855 411 HD12 ILE 47 1HD1 ILE 47 -6.763 -29.011 -0.979 412 HD13 ILE 47 2HD1 ILE 47 -5.140 -29.663 -0.749 413 H TRP 48 H TRP 48 -2.434 -28.392 -5.207 414 HA TRP 48 HA TRP 48 -2.286 -30.978 -6.621 415 HB2 TRP 48 2HB TRP 48 -4.262 -29.664 -7.411 416 HB3 TRP 48 1HB TRP 48 -3.152 -28.394 -7.926 417 HD1 TRP 48 HD TRP 48 -2.046 -28.661 -10.218 418 HE1 TRP 48 1HE TRP 48 -1.948 -30.530 -11.992 419 HE3 TRP 48 3HE TRP 48 -4.261 -32.460 -7.621 420 HZ2 TRP 48 2HZ TRP 48 -2.709 -33.272 -12.272 421 HZ3 TRP 48 3HZ TRP 48 -4.563 -34.687 -8.665 422 HH2 TRP 48 HH TRP 48 -3.790 -35.098 -10.985 423 HA PRO 49 HA PRO 49 1.694 -28.624 -6.858 424 HB2 PRO 49 2HB PRO 49 3.295 -30.556 -5.800 425 HB3 PRO 49 1HB PRO 49 2.415 -29.383 -4.804 426 HG2 PRO 49 2HG PRO 49 1.829 -32.235 -5.330 427 HG3 PRO 49 1HG PRO 49 1.534 -31.266 -3.879 428 HD2 PRO 49 2HD PRO 49 -0.388 -31.950 -5.788 429 HD3 PRO 49 1HD PRO 49 -0.550 -30.651 -4.587 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -19.601 2.416 0.445 2 H2 MET 1 2HT MET 1 -18.544 3.582 1.089 3 H3 MET 1 3HT MET 1 -19.121 2.318 2.068 4 HA MET 1 HA MET 1 -17.919 0.694 0.792 5 HB2 MET 1 2HB MET 1 -18.126 1.926 -1.374 6 HB3 MET 1 1HB MET 1 -16.919 3.078 -0.797 7 HG2 MET 1 2HG MET 1 -15.207 1.440 -0.759 8 HG3 MET 1 1HG MET 1 -16.362 0.110 -0.855 9 HE1 MET 1 2HE MET 1 -15.031 -0.973 -2.456 10 HE2 MET 1 3HE MET 1 -15.253 -0.782 -4.194 11 HE3 MET 1 1HE MET 1 -16.634 -1.171 -3.159 12 H SER 2 H SER 2 -16.177 3.801 0.759 13 HA SER 2 HA SER 2 -14.922 3.293 3.310 14 HB2 SER 2 2HB SER 2 -13.421 1.880 2.230 15 HB3 SER 2 1HB SER 2 -13.481 2.797 0.727 16 HG SER 2 HG SER 2 -12.071 3.295 3.099 17 H GLU 3 H GLU 3 -16.288 5.345 1.339 18 HA GLU 3 HA GLU 3 -14.604 7.610 2.206 19 HB2 GLU 3 2HB GLU 3 -15.987 7.527 -0.474 20 HB3 GLU 3 1HB GLU 3 -14.789 8.690 0.097 21 HG2 GLU 3 2HG GLU 3 -13.422 7.320 -1.166 22 HG3 GLU 3 1HG GLU 3 -13.314 6.497 0.389 23 HA PRO 4 HA PRO 4 -19.049 7.959 3.631 24 HB2 PRO 4 2HB PRO 4 -17.573 9.459 5.742 25 HB3 PRO 4 1HB PRO 4 -18.871 8.258 5.903 26 HG2 PRO 4 2HG PRO 4 -16.339 7.657 6.472 27 HG3 PRO 4 1HG PRO 4 -17.434 6.480 5.725 28 HD2 PRO 4 2HD PRO 4 -15.202 8.031 4.478 29 HD3 PRO 4 1HD PRO 4 -15.785 6.394 4.108 30 H ALA 5 H ALA 5 -20.354 9.880 3.787 31 HA ALA 5 HA ALA 5 -19.615 11.938 2.017 32 HB1 ALA 5 1HB ALA 5 -21.974 11.154 2.760 33 HB2 ALA 5 2HB ALA 5 -21.724 12.870 2.433 34 HB3 ALA 5 3HB ALA 5 -21.748 12.282 4.096 35 H SER 6 H SER 6 -19.117 11.502 5.367 36 HA SER 6 HA SER 6 -18.720 14.247 6.070 37 HB2 SER 6 2HB SER 6 -17.222 12.598 7.815 38 HB3 SER 6 1HB SER 6 -18.795 13.335 8.105 39 HG SER 6 HG SER 6 -19.662 11.442 7.871 40 H LEU 7 H LEU 7 -16.457 11.548 5.458 41 HA LEU 7 HA LEU 7 -14.088 12.975 5.708 42 HB2 LEU 7 2HB LEU 7 -14.959 10.428 4.597 43 HB3 LEU 7 1HB LEU 7 -13.628 11.133 3.685 44 HG LEU 7 HG LEU 7 -12.363 11.442 5.795 45 HD11 LEU 7 1HD1 LEU 7 -14.959 10.643 6.911 46 HD12 LEU 7 2HD1 LEU 7 -13.641 11.543 7.662 47 HD13 LEU 7 3HD1 LEU 7 -13.594 9.781 7.620 48 HD21 LEU 7 3HD2 LEU 7 -11.512 9.426 5.264 49 HD22 LEU 7 1HD2 LEU 7 -13.043 8.947 4.532 50 HD23 LEU 7 2HD2 LEU 7 -12.765 8.673 6.251 51 H LEU 8 H LEU 8 -16.259 12.621 2.933 52 HA LEU 8 HA LEU 8 -14.540 13.941 1.089 53 HB2 LEU 8 2HB LEU 8 -16.049 12.840 -0.188 54 HB3 LEU 8 1HB LEU 8 -17.246 12.811 1.099 55 HG LEU 8 HG LEU 8 -17.849 15.165 0.578 56 HD11 LEU 8 1HD1 LEU 8 -16.594 15.269 -2.031 57 HD12 LEU 8 2HD1 LEU 8 -15.359 15.126 -0.781 58 HD13 LEU 8 3HD1 LEU 8 -16.521 16.454 -0.731 59 HD21 LEU 8 3HD2 LEU 8 -18.852 13.096 -0.590 60 HD22 LEU 8 1HD2 LEU 8 -17.913 13.607 -1.992 61 HD23 LEU 8 2HD2 LEU 8 -19.140 14.678 -1.318 62 H THR 9 H THR 9 -17.289 14.940 3.053 63 HA THR 9 HA THR 9 -17.439 17.598 2.139 64 HB THR 9 HB THR 9 -18.305 16.330 4.740 65 HG1 THR 9 1HG THR 9 -19.516 17.000 2.283 66 HG21 THR 9 3HG2 THR 9 -19.800 18.488 4.720 67 HG22 THR 9 1HG2 THR 9 -18.509 19.145 3.713 68 HG23 THR 9 2HG2 THR 9 -18.154 18.582 5.345 69 H ALA 10 H ALA 10 -15.168 16.049 4.128 70 HA ALA 10 HA ALA 10 -14.231 18.607 5.225 71 HB1 ALA 10 1HB ALA 10 -13.206 15.907 6.036 72 HB2 ALA 10 2HB ALA 10 -14.701 16.549 6.717 73 HB3 ALA 10 3HB ALA 10 -13.178 17.412 6.954 74 H SER 11 H SER 11 -13.534 16.149 2.976 75 HA SER 11 HA SER 11 -10.724 16.896 2.738 76 HB2 SER 11 2HB SER 11 -11.176 14.528 2.583 77 HB3 SER 11 1HB SER 11 -12.376 14.802 1.323 78 HG SER 11 HG SER 11 -9.816 14.378 1.011 79 H ASP 12 H ASP 12 -13.627 17.984 1.584 80 HA ASP 12 HA ASP 12 -12.952 18.525 -1.142 81 HB2 ASP 12 2HB ASP 12 -15.260 18.638 0.353 82 HB3 ASP 12 1HB ASP 12 -14.887 20.342 0.100 83 H LEU 13 H LEU 13 -11.238 19.470 1.276 84 HA LEU 13 HA LEU 13 -10.665 22.104 0.112 85 HB2 LEU 13 2HB LEU 13 -10.453 23.115 2.342 86 HB3 LEU 13 1HB LEU 13 -12.095 22.537 2.060 87 HG LEU 13 HG LEU 13 -10.661 20.353 3.150 88 HD11 LEU 13 1HD1 LEU 13 -8.982 21.981 3.937 89 HD12 LEU 13 2HD1 LEU 13 -9.885 21.307 5.293 90 HD13 LEU 13 3HD1 LEU 13 -10.257 22.927 4.705 91 HD21 LEU 13 3HD2 LEU 13 -12.261 20.685 5.028 92 HD22 LEU 13 1HD2 LEU 13 -13.052 20.811 3.457 93 HD23 LEU 13 2HD2 LEU 13 -12.673 22.269 4.373 94 H ASP 14 H ASP 14 -9.508 19.228 0.441 95 HA ASP 14 HA ASP 14 -6.778 20.157 1.039 96 HB2 ASP 14 2HB ASP 14 -8.312 18.035 2.419 97 HB3 ASP 14 1HB ASP 14 -6.639 17.666 2.023 98 HA PRO 15 HA PRO 15 -6.996 17.695 -2.862 99 HB2 PRO 15 2HB PRO 15 -5.490 19.375 -4.395 100 HB3 PRO 15 1HB PRO 15 -7.238 19.568 -4.166 101 HG2 PRO 15 2HG PRO 15 -4.994 21.071 -2.963 102 HG3 PRO 15 1HG PRO 15 -6.627 21.613 -3.381 103 HD2 PRO 15 2HD PRO 15 -5.736 20.971 -0.810 104 HD3 PRO 15 1HD PRO 15 -7.437 21.097 -1.303 105 H LEU 16 H LEU 16 -4.181 19.375 -1.506 106 HA LEU 16 HA LEU 16 -2.177 17.814 -2.696 107 HB2 LEU 16 2HB LEU 16 -2.078 19.086 0.046 108 HB3 LEU 16 1HB LEU 16 -0.706 18.683 -0.988 109 HG LEU 16 HG LEU 16 -2.882 20.688 -1.658 110 HD11 LEU 16 1HD1 LEU 16 0.048 21.153 -1.036 111 HD12 LEU 16 2HD1 LEU 16 -1.248 21.369 0.139 112 HD13 LEU 16 3HD1 LEU 16 -1.190 22.380 -1.304 113 HD21 LEU 16 3HD2 LEU 16 -2.166 19.939 -3.744 114 HD22 LEU 16 1HD2 LEU 16 -0.551 19.540 -3.160 115 HD23 LEU 16 2HD2 LEU 16 -0.996 21.223 -3.439 116 H ILE 17 H ILE 17 -3.913 17.411 0.369 117 HA ILE 17 HA ILE 17 -2.487 15.075 1.166 118 HB ILE 17 HB ILE 17 -5.295 15.763 2.008 119 HG12 ILE 17 2HG1 ILE 17 -2.680 16.997 2.926 120 HG13 ILE 17 1HG1 ILE 17 -4.013 17.836 2.131 121 HG21 ILE 17 1HG2 ILE 17 -3.762 13.664 2.689 122 HG22 ILE 17 2HG2 ILE 17 -4.862 14.435 3.831 123 HG23 ILE 17 3HG2 ILE 17 -3.146 14.840 3.850 124 HD11 ILE 17 3HD1 ILE 17 -5.470 17.026 4.088 125 HD12 ILE 17 1HD1 ILE 17 -4.301 18.298 4.443 126 HD13 ILE 17 2HD1 ILE 17 -3.955 16.630 4.899 127 H LEU 18 H LEU 18 -5.528 15.638 -0.576 128 HA LEU 18 HA LEU 18 -6.455 12.991 -0.664 129 HB2 LEU 18 2HB LEU 18 -6.865 15.441 -2.287 130 HB3 LEU 18 1HB LEU 18 -7.314 13.912 -3.039 131 HG LEU 18 HG LEU 18 -8.185 14.523 -0.224 132 HD11 LEU 18 1HD1 LEU 18 -10.387 15.195 -1.592 133 HD12 LEU 18 2HD1 LEU 18 -9.182 15.716 -2.769 134 HD13 LEU 18 3HD1 LEU 18 -9.171 16.392 -1.140 135 HD21 LEU 18 3HD2 LEU 18 -9.894 13.126 -2.210 136 HD22 LEU 18 1HD2 LEU 18 -9.578 12.729 -0.521 137 HD23 LEU 18 2HD2 LEU 18 -8.406 12.291 -1.762 138 H THR 19 H THR 19 -4.205 14.699 -2.803 139 HA THR 19 HA THR 19 -3.888 12.649 -4.712 140 HB THR 19 HB THR 19 -1.720 14.583 -3.904 141 HG1 THR 19 1HG THR 19 -4.219 15.019 -5.011 142 HG21 THR 19 3HG2 THR 19 -0.807 14.108 -5.932 143 HG22 THR 19 1HG2 THR 19 -2.378 14.004 -6.725 144 HG23 THR 19 2HG2 THR 19 -1.761 12.632 -5.804 145 H LEU 20 H LEU 20 -1.909 13.487 -1.864 146 HA LEU 20 HA LEU 20 -0.066 11.377 -2.100 147 HB2 LEU 20 2HB LEU 20 -0.773 13.385 -0.125 148 HB3 LEU 20 1HB LEU 20 -0.363 11.850 0.639 149 HG LEU 20 HG LEU 20 1.739 11.763 -0.642 150 HD11 LEU 20 1HD1 LEU 20 0.452 14.042 -2.011 151 HD12 LEU 20 2HD1 LEU 20 1.648 12.895 -2.615 152 HD13 LEU 20 3HD1 LEU 20 2.161 14.275 -1.645 153 HD21 LEU 20 3HD2 LEU 20 1.158 14.261 0.958 154 HD22 LEU 20 1HD2 LEU 20 2.781 13.882 0.381 155 HD23 LEU 20 2HD2 LEU 20 1.963 12.787 1.496 156 H SER 21 H SER 21 -3.183 11.587 -0.426 157 HA SER 21 HA SER 21 -3.057 9.043 0.818 158 HB2 SER 21 2HB SER 21 -5.149 9.521 1.584 159 HB3 SER 21 1HB SER 21 -4.742 11.142 1.028 160 HG SER 21 HG SER 21 -6.456 10.876 -0.169 161 H LEU 22 H LEU 22 -4.657 10.129 -2.177 162 HA LEU 22 HA LEU 22 -5.750 7.712 -2.985 163 HB2 LEU 22 2HB LEU 22 -4.920 10.208 -4.321 164 HB3 LEU 22 1HB LEU 22 -4.998 8.793 -5.369 165 HG LEU 22 HG LEU 22 -7.255 9.411 -3.471 166 HD11 LEU 22 1HD1 LEU 22 -7.224 11.441 -4.636 167 HD12 LEU 22 2HD1 LEU 22 -8.292 10.453 -5.632 168 HD13 LEU 22 3HD1 LEU 22 -6.612 10.696 -6.112 169 HD21 LEU 22 3HD2 LEU 22 -6.758 7.262 -5.054 170 HD22 LEU 22 1HD2 LEU 22 -7.630 8.286 -6.196 171 HD23 LEU 22 2HD2 LEU 22 -8.387 7.820 -4.674 172 H ILE 23 H ILE 23 -2.448 8.908 -3.360 173 HA ILE 23 HA ILE 23 -1.491 6.906 -5.087 174 HB ILE 23 HB ILE 23 -0.252 8.799 -3.139 175 HG12 ILE 23 2HG1 ILE 23 -0.885 9.115 -5.682 176 HG13 ILE 23 1HG1 ILE 23 0.619 9.784 -5.054 177 HG21 ILE 23 1HG2 ILE 23 1.118 6.942 -2.631 178 HG22 ILE 23 2HG2 ILE 23 2.000 7.787 -3.903 179 HG23 ILE 23 3HG2 ILE 23 1.071 6.341 -4.291 180 HD11 ILE 23 3HD1 ILE 23 1.924 8.074 -6.012 181 HD12 ILE 23 1HD1 ILE 23 0.719 8.407 -7.253 182 HD13 ILE 23 2HD1 ILE 23 0.540 6.999 -6.207 183 H LEU 24 H LEU 24 -1.016 7.138 -1.550 184 HA LEU 24 HA LEU 24 0.025 4.561 -1.236 185 HB2 LEU 24 2HB LEU 24 -0.313 6.675 0.428 186 HB3 LEU 24 1HB LEU 24 -1.630 5.644 0.979 187 HG LEU 24 HG LEU 24 0.373 5.151 2.280 188 HD11 LEU 24 1HD1 LEU 24 0.142 2.858 0.343 189 HD12 LEU 24 2HD1 LEU 24 -1.221 3.306 1.368 190 HD13 LEU 24 3HD1 LEU 24 0.306 2.819 2.098 191 HD21 LEU 24 3HD2 LEU 24 2.456 5.018 1.395 192 HD22 LEU 24 1HD2 LEU 24 1.747 5.706 -0.068 193 HD23 LEU 24 2HD2 LEU 24 1.918 3.958 0.090 194 H VAL 25 H VAL 25 -3.274 5.714 -1.306 195 HA VAL 25 HA VAL 25 -4.530 3.376 -0.340 196 HB VAL 25 HB VAL 25 -5.513 5.520 -2.229 197 HG11 VAL 25 1HG1 VAL 25 -6.817 3.070 -1.095 198 HG12 VAL 25 2HG1 VAL 25 -6.995 3.788 -2.697 199 HG13 VAL 25 3HG1 VAL 25 -7.779 4.533 -1.302 200 HG21 VAL 25 3HG2 VAL 25 -6.198 6.649 -0.355 201 HG22 VAL 25 1HG2 VAL 25 -4.891 5.738 0.402 202 HG23 VAL 25 2HG2 VAL 25 -6.554 5.166 0.529 203 H LEU 26 H LEU 26 -3.949 4.471 -3.685 204 HA LEU 26 HA LEU 26 -4.964 2.186 -4.964 205 HB2 LEU 26 2HB LEU 26 -3.249 4.481 -5.702 206 HB3 LEU 26 1HB LEU 26 -3.053 3.039 -6.699 207 HG LEU 26 HG LEU 26 -5.808 4.071 -6.044 208 HD11 LEU 26 1HD1 LEU 26 -3.962 5.009 -8.258 209 HD12 LEU 26 2HD1 LEU 26 -4.669 5.998 -6.982 210 HD13 LEU 26 3HD1 LEU 26 -5.700 5.303 -8.232 211 HD21 LEU 26 3HD2 LEU 26 -6.481 2.630 -7.704 212 HD22 LEU 26 1HD2 LEU 26 -4.987 1.804 -7.264 213 HD23 LEU 26 2HD2 LEU 26 -5.019 2.883 -8.658 214 H ILE 27 H ILE 27 -1.627 3.013 -4.031 215 HA ILE 27 HA ILE 27 -0.407 0.672 -4.998 216 HB ILE 27 HB ILE 27 0.321 2.614 -2.815 217 HG12 ILE 27 2HG1 ILE 27 1.696 1.941 -5.429 218 HG13 ILE 27 1HG1 ILE 27 0.457 3.189 -5.294 219 HG21 ILE 27 1HG2 ILE 27 1.641 0.026 -3.608 220 HG22 ILE 27 2HG2 ILE 27 1.350 0.667 -1.992 221 HG23 ILE 27 3HG2 ILE 27 2.606 1.374 -3.007 222 HD11 ILE 27 3HD1 ILE 27 3.108 3.097 -3.826 223 HD12 ILE 27 1HD1 ILE 27 1.836 4.272 -3.494 224 HD13 ILE 27 2HD1 ILE 27 2.627 4.251 -5.071 225 H SER 28 H SER 28 -1.507 1.457 -1.691 226 HA SER 28 HA SER 28 -0.923 -0.975 -0.483 227 HB2 SER 28 2HB SER 28 -2.857 -0.389 1.059 228 HB3 SER 28 1HB SER 28 -1.608 0.841 0.896 229 HG SER 28 HG SER 28 -3.426 1.144 -1.042 230 H LEU 29 H LEU 29 -3.805 -0.014 -2.301 231 HA LEU 29 HA LEU 29 -5.342 -2.326 -1.849 232 HB2 LEU 29 2HB LEU 29 -5.435 -0.006 -3.591 233 HB3 LEU 29 1HB LEU 29 -5.973 -1.462 -4.429 234 HG LEU 29 HG LEU 29 -7.547 -1.949 -2.601 235 HD11 LEU 29 1HD1 LEU 29 -5.943 0.082 -1.274 236 HD12 LEU 29 2HD1 LEU 29 -7.066 -1.083 -0.575 237 HD13 LEU 29 3HD1 LEU 29 -7.662 0.463 -1.179 238 HD21 LEU 29 3HD2 LEU 29 -9.119 -0.568 -3.495 239 HD22 LEU 29 1HD2 LEU 29 -7.806 -0.002 -4.528 240 HD23 LEU 29 2HD2 LEU 29 -8.219 0.884 -3.060 241 H LEU 30 H LEU 30 -3.033 -1.534 -4.433 242 HA LEU 30 HA LEU 30 -3.361 -3.961 -5.870 243 HB2 LEU 30 2HB LEU 30 -2.316 -1.828 -6.740 244 HB3 LEU 30 1HB LEU 30 -0.881 -2.236 -5.800 245 HG LEU 30 HG LEU 30 -1.466 -4.599 -7.140 246 HD11 LEU 30 1HD1 LEU 30 -3.102 -3.302 -8.523 247 HD12 LEU 30 2HD1 LEU 30 -1.782 -3.982 -9.474 248 HD13 LEU 30 3HD1 LEU 30 -1.776 -2.268 -9.054 249 HD21 LEU 30 3HD2 LEU 30 0.412 -2.357 -7.959 250 HD22 LEU 30 1HD2 LEU 30 0.553 -4.045 -8.453 251 HD23 LEU 30 2HD2 LEU 30 0.765 -3.602 -6.759 252 H LEU 31 H LEU 31 -1.235 -2.982 -3.230 253 HA LEU 31 HA LEU 31 0.515 -5.179 -3.267 254 HB2 LEU 31 2HB LEU 31 0.983 -3.183 -1.949 255 HB3 LEU 31 1HB LEU 31 -0.428 -3.496 -0.937 256 HG LEU 31 HG LEU 31 1.348 -5.811 -1.135 257 HD11 LEU 31 1HD1 LEU 31 3.063 -4.766 0.413 258 HD12 LEU 31 2HD1 LEU 31 2.387 -3.194 -0.016 259 HD13 LEU 31 3HD1 LEU 31 3.135 -4.202 -1.256 260 HD21 LEU 31 3HD2 LEU 31 0.415 -4.175 1.240 261 HD22 LEU 31 1HD2 LEU 31 0.964 -5.851 1.258 262 HD23 LEU 31 2HD2 LEU 31 -0.557 -5.428 0.471 263 H THR 32 H THR 32 -2.581 -4.679 -1.602 264 HA THR 32 HA THR 32 -2.576 -7.193 -0.255 265 HB THR 32 HB THR 32 -5.154 -6.653 -0.231 266 HG1 THR 32 1HG THR 32 -3.990 -4.553 -1.576 267 HG21 THR 32 3HG2 THR 32 -4.505 -4.713 1.459 268 HG22 THR 32 1HG2 THR 32 -2.873 -5.307 1.157 269 HG23 THR 32 2HG2 THR 32 -4.098 -6.392 1.813 270 H VAL 33 H VAL 33 -3.947 -6.051 -3.320 271 HA VAL 33 HA VAL 33 -5.457 -8.292 -4.003 272 HB VAL 33 HB VAL 33 -3.947 -6.304 -5.701 273 HG11 VAL 33 1HG1 VAL 33 -5.633 -8.681 -6.481 274 HG12 VAL 33 2HG1 VAL 33 -4.075 -8.175 -7.135 275 HG13 VAL 33 3HG1 VAL 33 -5.532 -7.260 -7.521 276 HG21 VAL 33 3HG2 VAL 33 -6.914 -6.612 -5.652 277 HG22 VAL 33 1HG2 VAL 33 -5.939 -5.149 -5.772 278 HG23 VAL 33 2HG2 VAL 33 -6.157 -5.937 -4.210 279 H LEU 34 H LEU 34 -2.021 -7.626 -4.587 280 HA LEU 34 HA LEU 34 -1.451 -9.962 -6.067 281 HB2 LEU 34 2HB LEU 34 0.300 -8.291 -4.270 282 HB3 LEU 34 1HB LEU 34 0.907 -9.517 -5.382 283 HG LEU 34 HG LEU 34 -0.906 -7.371 -6.444 284 HD11 LEU 34 1HD1 LEU 34 0.599 -5.891 -5.481 285 HD12 LEU 34 2HD1 LEU 34 1.418 -6.228 -7.005 286 HD13 LEU 34 3HD1 LEU 34 1.929 -7.047 -5.529 287 HD21 LEU 34 3HD2 LEU 34 -0.047 -8.003 -8.483 288 HD22 LEU 34 1HD2 LEU 34 0.223 -9.517 -7.620 289 HD23 LEU 34 2HD2 LEU 34 1.544 -8.367 -7.821 290 H ALA 35 H ALA 35 -1.012 -9.261 -2.600 291 HA ALA 35 HA ALA 35 -0.011 -11.775 -1.859 292 HB1 ALA 35 1HB ALA 35 -1.787 -10.392 0.071 293 HB2 ALA 35 2HB ALA 35 -0.415 -9.462 -0.529 294 HB3 ALA 35 3HB ALA 35 -0.147 -11.004 0.285 295 H LEU 36 H LEU 36 -3.261 -10.603 -2.382 296 HA LEU 36 HA LEU 36 -4.638 -12.794 -1.180 297 HB2 LEU 36 2HB LEU 36 -5.361 -10.379 -2.423 298 HB3 LEU 36 1HB LEU 36 -6.102 -11.652 -3.394 299 HG LEU 36 HG LEU 36 -6.342 -11.382 -0.382 300 HD11 LEU 36 1HD1 LEU 36 -7.854 -9.795 -1.025 301 HD12 LEU 36 2HD1 LEU 36 -8.864 -11.196 -1.378 302 HD13 LEU 36 3HD1 LEU 36 -7.957 -10.416 -2.672 303 HD21 LEU 36 3HD2 LEU 36 -6.862 -13.559 -2.257 304 HD22 LEU 36 1HD2 LEU 36 -8.317 -13.089 -1.378 305 HD23 LEU 36 2HD2 LEU 36 -6.873 -13.578 -0.493 306 H LEU 37 H LEU 37 -3.905 -12.048 -4.595 307 HA LEU 37 HA LEU 37 -4.940 -14.424 -5.676 308 HB2 LEU 37 2HB LEU 37 -3.176 -12.246 -6.576 309 HB3 LEU 37 1HB LEU 37 -2.892 -13.790 -7.379 310 HG LEU 37 HG LEU 37 -5.298 -13.945 -7.931 311 HD11 LEU 37 1HD1 LEU 37 -6.723 -12.762 -6.642 312 HD12 LEU 37 2HD1 LEU 37 -6.209 -11.327 -7.527 313 HD13 LEU 37 3HD1 LEU 37 -5.417 -11.761 -6.013 314 HD21 LEU 37 3HD2 LEU 37 -4.554 -11.190 -8.815 315 HD22 LEU 37 1HD2 LEU 37 -5.146 -12.551 -9.767 316 HD23 LEU 37 2HD2 LEU 37 -3.462 -12.508 -9.244 317 H SER 38 H SER 38 -1.709 -13.617 -4.471 318 HA SER 38 HA SER 38 -0.403 -15.989 -5.230 319 HB2 SER 38 2HB SER 38 0.095 -13.782 -3.347 320 HB3 SER 38 1HB SER 38 0.855 -15.309 -2.903 321 HG SER 38 HG SER 38 1.683 -13.594 -4.686 322 H HIS 39 H HIS 39 -2.068 -15.148 -2.196 323 HA HIS 39 HA HIS 39 -1.593 -17.537 -0.817 324 HB2 HIS 39 2HB HIS 39 -3.827 -15.516 -0.685 325 HB3 HIS 39 1HB HIS 39 -3.792 -16.929 0.370 326 HD2 HIS 39 2HD HIS 39 -3.179 -13.750 1.470 327 HE1 HIS 39 1HE HIS 39 0.681 -15.320 2.145 328 HE2 HIS 39 2HE HIS 39 -0.904 -13.419 2.711 329 H ARG 40 H ARG 40 -4.141 -16.666 -3.111 330 HA ARG 40 HA ARG 40 -5.656 -19.056 -2.810 331 HB2 ARG 40 2HB ARG 40 -5.584 -16.769 -4.695 332 HB3 ARG 40 1HB ARG 40 -6.274 -18.271 -5.317 333 HG2 ARG 40 2HG ARG 40 -7.880 -18.364 -3.523 334 HG3 ARG 40 1HG ARG 40 -7.097 -17.028 -2.680 335 HD2 ARG 40 2HD ARG 40 -9.211 -16.820 -4.491 336 HD3 ARG 40 1HD ARG 40 -8.215 -15.496 -3.896 337 HE ARG 40 HE ARG 40 -7.067 -16.908 -6.147 338 HH11 ARG 40 1HH2 ARG 40 -9.186 -14.393 -5.073 339 HH12 ARG 40 2HH2 ARG 40 -9.055 -13.471 -6.532 340 HH21 ARG 40 1HH1 ARG 40 -6.888 -15.703 -8.063 341 HH22 ARG 40 2HH1 ARG 40 -7.753 -14.212 -8.225 342 H ARG 41 H ARG 41 -3.085 -18.072 -5.050 343 HA ARG 41 HA ARG 41 -3.151 -20.346 -6.710 344 HB2 ARG 41 2HB ARG 41 -1.484 -18.032 -6.356 345 HB3 ARG 41 1HB ARG 41 -0.466 -19.463 -6.518 346 HG2 ARG 41 2HG ARG 41 -0.916 -18.562 -8.735 347 HG3 ARG 41 1HG ARG 41 -1.763 -20.101 -8.563 348 HD2 ARG 41 2HD ARG 41 -3.520 -18.106 -7.588 349 HD3 ARG 41 1HD ARG 41 -2.857 -17.489 -9.099 350 HE ARG 41 HE ARG 41 -3.537 -19.980 -9.819 351 HH11 ARG 41 1HH2 ARG 41 -5.193 -17.579 -7.953 352 HH12 ARG 41 2HH2 ARG 41 -6.773 -18.098 -8.435 353 HH21 ARG 41 1HH1 ARG 41 -5.606 -20.661 -10.458 354 HH22 ARG 41 2HH1 ARG 41 -7.007 -19.841 -9.854 355 H THR 42 H THR 42 -1.446 -19.682 -3.685 356 HA THR 42 HA THR 42 0.157 -22.008 -3.650 357 HB THR 42 HB THR 42 -0.117 -21.547 -1.038 358 HG1 THR 42 1HG THR 42 -1.698 -19.751 -2.177 359 HG21 THR 42 3HG2 THR 42 1.306 -19.782 -3.045 360 HG22 THR 42 1HG2 THR 42 1.951 -21.217 -2.251 361 HG23 THR 42 2HG2 THR 42 1.628 -19.761 -1.311 362 H LEU 43 H LEU 43 -3.052 -21.330 -2.274 363 HA LEU 43 HA LEU 43 -3.455 -23.792 -1.002 364 HB2 LEU 43 2HB LEU 43 -4.987 -21.468 -1.578 365 HB3 LEU 43 1HB LEU 43 -5.934 -22.863 -2.093 366 HG LEU 43 HG LEU 43 -4.634 -22.549 0.633 367 HD11 LEU 43 1HD1 LEU 43 -6.748 -21.130 -0.092 368 HD12 LEU 43 2HD1 LEU 43 -6.701 -21.915 1.485 369 HD13 LEU 43 3HD1 LEU 43 -7.593 -22.656 0.158 370 HD21 LEU 43 3HD2 LEU 43 -6.646 -24.505 0.676 371 HD22 LEU 43 1HD2 LEU 43 -4.907 -24.788 0.734 372 HD23 LEU 43 2HD2 LEU 43 -5.753 -24.813 -0.813 373 H GLN 44 H GLN 44 -4.102 -22.781 -4.336 374 HA GLN 44 HA GLN 44 -5.394 -25.173 -5.145 375 HB2 GLN 44 2HB GLN 44 -5.062 -22.760 -6.297 376 HB3 GLN 44 1HB GLN 44 -3.811 -23.664 -7.153 377 HG2 GLN 44 2HG GLN 44 -5.479 -25.389 -7.754 378 HG3 GLN 44 1HG GLN 44 -6.729 -24.464 -6.922 379 HE21 GLN 44 1HE2 GLN 44 -4.093 -23.192 -9.006 380 HE22 GLN 44 2HE2 GLN 44 -5.134 -22.505 -10.157 381 H GLN 45 H GLN 45 -2.010 -24.110 -5.260 382 HA GLN 45 HA GLN 45 -0.988 -26.319 -6.681 383 HB2 GLN 45 2HB GLN 45 0.168 -24.239 -4.867 384 HB3 GLN 45 1HB GLN 45 1.156 -25.629 -5.313 385 HG2 GLN 45 2HG GLN 45 1.137 -25.085 -7.585 386 HG3 GLN 45 1HG GLN 45 -0.332 -24.122 -7.441 387 HE21 GLN 45 1HE2 GLN 45 -0.088 -21.885 -7.056 388 HE22 GLN 45 2HE2 GLN 45 1.407 -21.136 -6.762 389 H LYS 46 H LYS 46 -1.679 -25.807 -3.269 390 HA LYS 46 HA LYS 46 -0.344 -28.165 -2.348 391 HB2 LYS 46 2HB LYS 46 -1.704 -25.948 -1.187 392 HB3 LYS 46 1HB LYS 46 -2.450 -27.423 -0.573 393 HG2 LYS 46 2HG LYS 46 -0.241 -28.292 0.068 394 HG3 LYS 46 1HG LYS 46 0.528 -26.842 -0.577 395 HD2 LYS 46 2HD LYS 46 -0.936 -25.508 1.031 396 HD3 LYS 46 1HD LYS 46 -1.342 -27.047 1.792 397 HE2 LYS 46 2HE LYS 46 1.354 -27.279 1.693 398 HE3 LYS 46 1HE LYS 46 1.207 -25.529 1.840 399 HZ1 LYS 46 3HZ LYS 46 1.026 -27.359 3.871 400 HZ2 LYS 46 1HZ LYS 46 -0.579 -26.888 3.593 401 HZ3 LYS 46 2HZ LYS 46 0.599 -25.716 3.951 402 H ILE 47 H ILE 47 -3.625 -27.392 -3.374 403 HA ILE 47 HA ILE 47 -4.715 -29.941 -2.592 404 HB ILE 47 HB ILE 47 -5.763 -27.690 -4.316 405 HG12 ILE 47 2HG1 ILE 47 -6.847 -28.701 -1.689 406 HG13 ILE 47 1HG1 ILE 47 -5.501 -27.561 -1.726 407 HG21 ILE 47 1HG2 ILE 47 -6.887 -30.410 -3.685 408 HG22 ILE 47 2HG2 ILE 47 -6.889 -29.538 -5.217 409 HG23 ILE 47 3HG2 ILE 47 -7.971 -29.038 -3.918 410 HD11 ILE 47 3HD1 ILE 47 -7.960 -26.995 -3.353 411 HD12 ILE 47 1HD1 ILE 47 -6.788 -25.863 -2.678 412 HD13 ILE 47 2HD1 ILE 47 -7.964 -26.649 -1.624 413 H TRP 48 H TRP 48 -3.362 -28.534 -5.516 414 HA TRP 48 HA TRP 48 -3.443 -31.204 -6.765 415 HB2 TRP 48 2HB TRP 48 -5.215 -29.497 -7.622 416 HB3 TRP 48 1HB TRP 48 -3.843 -28.733 -8.424 417 HD1 TRP 48 HD TRP 48 -2.203 -30.772 -9.711 418 HE1 TRP 48 1HE TRP 48 -3.079 -32.550 -11.360 419 HE3 TRP 48 3HE TRP 48 -7.151 -30.780 -8.451 420 HZ2 TRP 48 2HZ TRP 48 -5.553 -33.808 -12.052 421 HZ3 TRP 48 3HZ TRP 48 -8.744 -32.276 -9.619 422 HH2 TRP 48 HH TRP 48 -7.952 -33.788 -11.417 423 HA PRO 49 HA PRO 49 0.864 -29.382 -6.490 424 HB2 PRO 49 2HB PRO 49 1.350 -32.327 -6.605 425 HB3 PRO 49 1HB PRO 49 2.109 -31.095 -5.576 426 HG2 PRO 49 2HG PRO 49 0.280 -32.781 -4.620 427 HG3 PRO 49 1HG PRO 49 0.386 -31.102 -4.064 428 HD2 PRO 49 2HD PRO 49 -1.634 -32.366 -5.859 429 HD3 PRO 49 1HD PRO 49 -1.818 -30.997 -4.739 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -21.293 7.026 13.037 2 H2 MET 1 2HT MET 1 -21.412 6.295 11.506 3 H3 MET 1 3HT MET 1 -22.246 7.739 11.828 4 HA MET 1 HA MET 1 -19.328 7.701 12.122 5 HB2 MET 1 2HB MET 1 -20.644 6.937 9.728 6 HB3 MET 1 1HB MET 1 -20.093 8.596 9.493 7 HG2 MET 1 2HG MET 1 -18.348 6.330 10.500 8 HG3 MET 1 1HG MET 1 -18.362 6.927 8.841 9 HE1 MET 1 2HE MET 1 -16.149 8.472 8.265 10 HE2 MET 1 3HE MET 1 -16.009 6.939 9.122 11 HE3 MET 1 1HE MET 1 -15.066 8.340 9.649 12 H SER 2 H SER 2 -22.247 9.303 10.846 13 HA SER 2 HA SER 2 -23.015 11.453 11.086 14 HB2 SER 2 2HB SER 2 -22.108 10.917 13.522 15 HB3 SER 2 1HB SER 2 -20.903 12.123 13.082 16 HG SER 2 HG SER 2 -23.602 12.387 13.587 17 H GLU 3 H GLU 3 -20.285 10.591 9.697 18 HA GLU 3 HA GLU 3 -18.351 12.280 9.321 19 HB2 GLU 3 2HB GLU 3 -18.959 12.327 6.759 20 HB3 GLU 3 1HB GLU 3 -18.469 10.835 7.561 21 HG2 GLU 3 2HG GLU 3 -20.742 10.116 7.804 22 HG3 GLU 3 1HG GLU 3 -21.355 11.688 7.291 23 HA PRO 4 HA PRO 4 -20.818 16.182 9.657 24 HB2 PRO 4 2HB PRO 4 -18.046 17.150 10.196 25 HB3 PRO 4 1HB PRO 4 -19.546 17.474 11.087 26 HG2 PRO 4 2HG PRO 4 -17.706 15.818 12.048 27 HG3 PRO 4 1HG PRO 4 -19.436 15.491 12.252 28 HD2 PRO 4 2HD PRO 4 -17.484 14.215 10.381 29 HD3 PRO 4 1HD PRO 4 -18.867 13.500 11.236 30 H ALA 5 H ALA 5 -21.236 17.473 7.947 31 HA ALA 5 HA ALA 5 -19.896 17.249 5.498 32 HB1 ALA 5 1HB ALA 5 -21.555 18.576 4.708 33 HB2 ALA 5 2HB ALA 5 -21.288 19.802 5.948 34 HB3 ALA 5 3HB ALA 5 -22.249 18.371 6.317 35 H SER 6 H SER 6 -18.848 18.725 8.267 36 HA SER 6 HA SER 6 -17.557 21.039 7.175 37 HB2 SER 6 2HB SER 6 -16.867 19.560 9.720 38 HB3 SER 6 1HB SER 6 -16.469 21.228 9.319 39 HG SER 6 HG SER 6 -18.653 20.299 10.479 40 H LEU 7 H LEU 7 -16.763 17.660 7.408 41 HA LEU 7 HA LEU 7 -13.976 17.776 7.247 42 HB2 LEU 7 2HB LEU 7 -16.087 15.784 6.659 43 HB3 LEU 7 1HB LEU 7 -14.551 15.542 5.840 44 HG LEU 7 HG LEU 7 -13.368 15.675 8.006 45 HD11 LEU 7 1HD1 LEU 7 -14.518 16.900 9.547 46 HD12 LEU 7 2HD1 LEU 7 -15.228 15.341 9.961 47 HD13 LEU 7 3HD1 LEU 7 -16.090 16.444 8.888 48 HD21 LEU 7 3HD2 LEU 7 -15.050 13.591 7.089 49 HD22 LEU 7 1HD2 LEU 7 -15.265 13.668 8.837 50 HD23 LEU 7 2HD2 LEU 7 -13.654 13.447 8.156 51 H LEU 8 H LEU 8 -16.389 17.508 4.638 52 HA LEU 8 HA LEU 8 -14.466 17.724 2.546 53 HB2 LEU 8 2HB LEU 8 -17.441 18.261 2.451 54 HB3 LEU 8 1HB LEU 8 -16.389 17.954 1.067 55 HG LEU 8 HG LEU 8 -16.013 15.859 2.997 56 HD11 LEU 8 1HD1 LEU 8 -18.251 16.420 3.824 57 HD12 LEU 8 2HD1 LEU 8 -18.307 14.898 2.935 58 HD13 LEU 8 3HD1 LEU 8 -18.888 16.382 2.179 59 HD21 LEU 8 3HD2 LEU 8 -17.408 15.789 0.305 60 HD22 LEU 8 1HD2 LEU 8 -16.586 14.452 1.109 61 HD23 LEU 8 2HD2 LEU 8 -15.654 15.819 0.496 62 H THR 9 H THR 9 -16.601 20.015 4.156 63 HA THR 9 HA THR 9 -16.087 22.232 2.494 64 HB THR 9 HB THR 9 -16.697 22.375 5.445 65 HG1 THR 9 1HG THR 9 -18.046 21.056 3.698 66 HG21 THR 9 3HG2 THR 9 -17.347 24.164 3.087 67 HG22 THR 9 1HG2 THR 9 -16.181 24.510 4.365 68 HG23 THR 9 2HG2 THR 9 -17.901 24.427 4.740 69 H ALA 10 H ALA 10 -14.207 20.709 4.915 70 HA ALA 10 HA ALA 10 -12.426 22.997 5.219 71 HB1 ALA 10 1HB ALA 10 -12.913 21.773 7.250 72 HB2 ALA 10 2HB ALA 10 -11.218 21.519 6.832 73 HB3 ALA 10 3HB ALA 10 -12.407 20.262 6.497 74 H SER 11 H SER 11 -12.634 20.004 3.571 75 HA SER 11 HA SER 11 -9.818 20.052 2.790 76 HB2 SER 11 2HB SER 11 -10.380 17.843 3.146 77 HB3 SER 11 1HB SER 11 -12.031 18.061 2.574 78 HG SER 11 HG SER 11 -9.904 17.201 1.228 79 H ASP 12 H ASP 12 -12.639 21.420 1.754 80 HA ASP 12 HA ASP 12 -12.305 21.166 -1.088 81 HB2 ASP 12 2HB ASP 12 -14.192 22.426 0.741 82 HB3 ASP 12 1HB ASP 12 -13.829 23.451 -0.645 83 H LEU 13 H LEU 13 -10.183 22.375 0.849 84 HA LEU 13 HA LEU 13 -9.466 24.586 -0.964 85 HB2 LEU 13 2HB LEU 13 -8.646 25.871 1.016 86 HB3 LEU 13 1HB LEU 13 -10.398 25.670 0.986 87 HG LEU 13 HG LEU 13 -9.335 23.406 2.331 88 HD11 LEU 13 1HD1 LEU 13 -7.279 24.720 2.676 89 HD12 LEU 13 2HD1 LEU 13 -8.136 24.481 4.198 90 HD13 LEU 13 3HD1 LEU 13 -8.232 26.033 3.366 91 HD21 LEU 13 3HD2 LEU 13 -10.812 25.886 3.264 92 HD22 LEU 13 1HD2 LEU 13 -10.559 24.461 4.273 93 HD23 LEU 13 2HD2 LEU 13 -11.518 24.337 2.799 94 H ASP 14 H ASP 14 -8.666 21.659 0.076 95 HA ASP 14 HA ASP 14 -5.847 22.055 -0.500 96 HB2 ASP 14 2HB ASP 14 -6.074 22.469 1.965 97 HB3 ASP 14 1HB ASP 14 -6.622 20.802 2.133 98 HA PRO 15 HA PRO 15 -7.541 17.992 -1.863 99 HB2 PRO 15 2HB PRO 15 -6.802 18.218 -4.479 100 HB3 PRO 15 1HB PRO 15 -8.320 18.864 -3.837 101 HG2 PRO 15 2HG PRO 15 -5.861 20.270 -4.635 102 HG3 PRO 15 1HG PRO 15 -7.536 20.848 -4.591 103 HD2 PRO 15 2HD PRO 15 -5.512 21.381 -2.685 104 HD3 PRO 15 1HD PRO 15 -7.239 21.756 -2.529 105 H LEU 16 H LEU 16 -4.537 19.351 -1.477 106 HA LEU 16 HA LEU 16 -2.787 17.609 -2.813 107 HB2 LEU 16 2HB LEU 16 -2.236 19.781 -1.568 108 HB3 LEU 16 1HB LEU 16 -2.239 18.805 -0.099 109 HG LEU 16 HG LEU 16 -0.656 17.224 -1.493 110 HD11 LEU 16 1HD1 LEU 16 0.384 19.723 -2.694 111 HD12 LEU 16 2HD1 LEU 16 -1.084 19.088 -3.440 112 HD13 LEU 16 3HD1 LEU 16 0.366 18.086 -3.344 113 HD21 LEU 16 3HD2 LEU 16 0.049 18.326 0.548 114 HD22 LEU 16 1HD2 LEU 16 0.167 19.879 -0.280 115 HD23 LEU 16 2HD2 LEU 16 1.300 18.583 -0.668 116 H ILE 17 H ILE 17 -4.335 17.373 0.362 117 HA ILE 17 HA ILE 17 -3.000 15.049 1.246 118 HB ILE 17 HB ILE 17 -4.496 16.665 2.581 119 HG12 ILE 17 2HG1 ILE 17 -4.889 13.673 2.906 120 HG13 ILE 17 1HG1 ILE 17 -3.492 14.581 3.489 121 HG21 ILE 17 1HG2 ILE 17 -6.436 16.267 0.932 122 HG22 ILE 17 2HG2 ILE 17 -6.829 16.242 2.651 123 HG23 ILE 17 3HG2 ILE 17 -6.666 14.727 1.762 124 HD11 ILE 17 3HD1 ILE 17 -6.370 14.836 4.388 125 HD12 ILE 17 1HD1 ILE 17 -5.134 16.029 4.790 126 HD13 ILE 17 2HD1 ILE 17 -4.974 14.367 5.358 127 H LEU 18 H LEU 18 -5.953 15.517 -0.646 128 HA LEU 18 HA LEU 18 -6.834 12.845 -0.693 129 HB2 LEU 18 2HB LEU 18 -7.245 15.238 -2.450 130 HB3 LEU 18 1HB LEU 18 -7.801 13.660 -3.008 131 HG LEU 18 HG LEU 18 -8.473 14.499 -0.212 132 HD11 LEU 18 1HD1 LEU 18 -10.642 15.450 -1.326 133 HD12 LEU 18 2HD1 LEU 18 -9.615 15.654 -2.746 134 HD13 LEU 18 3HD1 LEU 18 -9.208 16.474 -1.239 135 HD21 LEU 18 3HD2 LEU 18 -8.997 12.257 -1.591 136 HD22 LEU 18 1HD2 LEU 18 -10.368 13.223 -2.138 137 HD23 LEU 18 2HD2 LEU 18 -10.139 12.913 -0.417 138 H THR 19 H THR 19 -4.585 14.592 -2.783 139 HA THR 19 HA THR 19 -4.217 12.515 -4.673 140 HB THR 19 HB THR 19 -2.261 14.691 -3.895 141 HG1 THR 19 1HG THR 19 -3.617 15.160 -6.134 142 HG21 THR 19 3HG2 THR 19 -1.460 14.385 -6.214 143 HG22 THR 19 1HG2 THR 19 -2.616 13.072 -6.434 144 HG23 THR 19 2HG2 THR 19 -1.295 12.899 -5.280 145 H LEU 20 H LEU 20 -2.376 13.460 -1.779 146 HA LEU 20 HA LEU 20 -0.369 11.506 -1.992 147 HB2 LEU 20 2HB LEU 20 -1.470 13.191 0.212 148 HB3 LEU 20 1HB LEU 20 -0.432 11.833 0.650 149 HG LEU 20 HG LEU 20 0.395 13.751 -1.520 150 HD11 LEU 20 1HD1 LEU 20 -0.095 15.166 0.405 151 HD12 LEU 20 2HD1 LEU 20 1.653 15.004 0.241 152 HD13 LEU 20 3HD1 LEU 20 0.793 14.077 1.470 153 HD21 LEU 20 3HD2 LEU 20 2.325 12.588 0.393 154 HD22 LEU 20 1HD2 LEU 20 2.410 12.691 -1.363 155 HD23 LEU 20 2HD2 LEU 20 1.479 11.403 -0.601 156 H SER 21 H SER 21 -3.535 11.452 -0.408 157 HA SER 21 HA SER 21 -3.239 8.872 0.762 158 HB2 SER 21 2HB SER 21 -5.320 10.881 0.514 159 HB3 SER 21 1HB SER 21 -5.965 9.253 0.310 160 HG SER 21 HG SER 21 -5.652 10.236 2.544 161 H LEU 22 H LEU 22 -4.893 9.991 -2.194 162 HA LEU 22 HA LEU 22 -5.858 7.559 -3.107 163 HB2 LEU 22 2HB LEU 22 -5.115 10.133 -4.343 164 HB3 LEU 22 1HB LEU 22 -5.155 8.754 -5.443 165 HG LEU 22 HG LEU 22 -7.407 9.326 -3.509 166 HD11 LEU 22 1HD1 LEU 22 -6.861 10.462 -6.246 167 HD12 LEU 22 2HD1 LEU 22 -7.427 11.294 -4.797 168 HD13 LEU 22 3HD1 LEU 22 -8.518 10.230 -5.688 169 HD21 LEU 22 3HD2 LEU 22 -8.387 7.524 -4.464 170 HD22 LEU 22 1HD2 LEU 22 -6.819 7.162 -5.188 171 HD23 LEU 22 2HD2 LEU 22 -8.013 8.097 -6.087 172 H ILE 23 H ILE 23 -2.612 8.920 -3.432 173 HA ILE 23 HA ILE 23 -1.580 6.990 -5.211 174 HB ILE 23 HB ILE 23 -0.407 8.953 -3.282 175 HG12 ILE 23 2HG1 ILE 23 0.184 8.401 -6.203 176 HG13 ILE 23 1HG1 ILE 23 -1.124 9.460 -5.673 177 HG21 ILE 23 1HG2 ILE 23 1.025 6.602 -4.529 178 HG22 ILE 23 2HG2 ILE 23 1.086 7.156 -2.854 179 HG23 ILE 23 3HG2 ILE 23 1.874 8.093 -4.125 180 HD11 ILE 23 3HD1 ILE 23 0.376 11.003 -4.676 181 HD12 ILE 23 1HD1 ILE 23 1.135 10.578 -6.212 182 HD13 ILE 23 2HD1 ILE 23 1.711 9.851 -4.712 183 H LEU 24 H LEU 24 -1.033 7.243 -1.681 184 HA LEU 24 HA LEU 24 0.162 4.728 -1.396 185 HB2 LEU 24 2HB LEU 24 -1.082 6.730 0.414 186 HB3 LEU 24 1HB LEU 24 -0.935 5.093 1.048 187 HG LEU 24 HG LEU 24 1.394 6.474 -0.288 188 HD11 LEU 24 1HD1 LEU 24 0.334 6.781 2.508 189 HD12 LEU 24 2HD1 LEU 24 1.020 8.005 1.438 190 HD13 LEU 24 3HD1 LEU 24 2.075 6.832 2.229 191 HD21 LEU 24 3HD2 LEU 24 1.795 4.628 1.969 192 HD22 LEU 24 1HD2 LEU 24 2.570 4.653 0.388 193 HD23 LEU 24 2HD2 LEU 24 0.996 3.884 0.584 194 H VAL 25 H VAL 25 -3.185 5.687 -1.482 195 HA VAL 25 HA VAL 25 -4.317 3.314 -0.431 196 HB VAL 25 HB VAL 25 -5.352 5.504 -2.205 197 HG11 VAL 25 1HG1 VAL 25 -6.624 3.742 -3.067 198 HG12 VAL 25 2HG1 VAL 25 -7.624 4.294 -1.722 199 HG13 VAL 25 3HG1 VAL 25 -6.613 2.860 -1.540 200 HG21 VAL 25 3HG2 VAL 25 -4.998 5.516 0.424 201 HG22 VAL 25 1HG2 VAL 25 -6.515 4.617 0.410 202 HG23 VAL 25 2HG2 VAL 25 -6.444 6.235 -0.286 203 H LEU 26 H LEU 26 -3.849 4.386 -3.805 204 HA LEU 26 HA LEU 26 -4.784 2.049 -5.039 205 HB2 LEU 26 2HB LEU 26 -2.977 4.288 -5.846 206 HB3 LEU 26 1HB LEU 26 -3.051 2.855 -6.870 207 HG LEU 26 HG LEU 26 -5.625 4.057 -5.919 208 HD11 LEU 26 1HD1 LEU 26 -5.409 5.358 -8.237 209 HD12 LEU 26 2HD1 LEU 26 -3.694 5.303 -7.830 210 HD13 LEU 26 3HD1 LEU 26 -4.839 6.072 -6.730 211 HD21 LEU 26 3HD2 LEU 26 -4.704 2.715 -8.486 212 HD22 LEU 26 1HD2 LEU 26 -6.348 3.273 -8.175 213 HD23 LEU 26 2HD2 LEU 26 -5.660 1.971 -7.205 214 H ILE 27 H ILE 27 -1.488 2.968 -4.075 215 HA ILE 27 HA ILE 27 -0.199 0.647 -5.036 216 HB ILE 27 HB ILE 27 0.537 2.522 -2.777 217 HG12 ILE 27 2HG1 ILE 27 1.727 2.318 -5.549 218 HG13 ILE 27 1HG1 ILE 27 0.340 3.354 -5.208 219 HG21 ILE 27 1HG2 ILE 27 1.772 0.038 -3.796 220 HG22 ILE 27 2HG2 ILE 27 2.002 0.860 -2.253 221 HG23 ILE 27 3HG2 ILE 27 2.870 1.414 -3.684 222 HD11 ILE 27 3HD1 ILE 27 3.049 3.492 -3.852 223 HD12 ILE 27 1HD1 ILE 27 1.657 4.489 -3.430 224 HD13 ILE 27 2HD1 ILE 27 2.409 4.651 -5.017 225 H SER 28 H SER 28 -1.358 1.471 -1.761 226 HA SER 28 HA SER 28 -0.661 -0.913 -0.488 227 HB2 SER 28 2HB SER 28 -3.087 0.818 0.028 228 HB3 SER 28 1HB SER 28 -2.410 -0.364 1.145 229 HG SER 28 HG SER 28 -1.766 2.056 1.151 230 H LEU 29 H LEU 29 -3.622 -0.092 -2.253 231 HA LEU 29 HA LEU 29 -5.048 -2.448 -1.761 232 HB2 LEU 29 2HB LEU 29 -5.233 -0.192 -3.585 233 HB3 LEU 29 1HB LEU 29 -5.722 -1.694 -4.368 234 HG LEU 29 HG LEU 29 -7.232 -2.161 -2.423 235 HD11 LEU 29 1HD1 LEU 29 -5.734 -0.006 -1.301 236 HD12 LEU 29 2HD1 LEU 29 -7.010 -0.954 -0.535 237 HD13 LEU 29 3HD1 LEU 29 -7.414 0.518 -1.421 238 HD21 LEU 29 3HD2 LEU 29 -8.768 -1.212 -3.758 239 HD22 LEU 29 1HD2 LEU 29 -7.527 -0.196 -4.492 240 HD23 LEU 29 2HD2 LEU 29 -8.389 0.361 -3.056 241 H LEU 30 H LEU 30 -2.848 -1.645 -4.440 242 HA LEU 30 HA LEU 30 -3.074 -4.093 -5.812 243 HB2 LEU 30 2HB LEU 30 -1.936 -1.836 -6.498 244 HB3 LEU 30 1HB LEU 30 -0.503 -2.552 -5.759 245 HG LEU 30 HG LEU 30 -1.236 -4.655 -7.221 246 HD11 LEU 30 1HD1 LEU 30 -2.443 -4.169 -9.157 247 HD12 LEU 30 2HD1 LEU 30 -2.070 -2.448 -9.080 248 HD13 LEU 30 3HD1 LEU 30 -3.259 -3.144 -7.979 249 HD21 LEU 30 3HD2 LEU 30 0.920 -3.451 -7.383 250 HD22 LEU 30 1HD2 LEU 30 0.145 -2.202 -8.359 251 HD23 LEU 30 2HD2 LEU 30 0.295 -3.844 -8.986 252 H LEU 31 H LEU 31 -0.810 -3.027 -3.283 253 HA LEU 31 HA LEU 31 0.848 -5.274 -3.238 254 HB2 LEU 31 2HB LEU 31 1.412 -3.244 -2.022 255 HB3 LEU 31 1HB LEU 31 0.009 -3.452 -0.972 256 HG LEU 31 HG LEU 31 1.721 -5.829 -1.088 257 HD11 LEU 31 1HD1 LEU 31 3.434 -4.723 0.455 258 HD12 LEU 31 2HD1 LEU 31 2.820 -3.178 -0.135 259 HD13 LEU 31 3HD1 LEU 31 3.562 -4.319 -1.257 260 HD21 LEU 31 3HD2 LEU 31 -0.174 -5.327 0.514 261 HD22 LEU 31 1HD2 LEU 31 0.856 -4.094 1.241 262 HD23 LEU 31 2HD2 LEU 31 1.338 -5.790 1.296 263 H THR 32 H THR 32 -2.240 -4.652 -1.625 264 HA THR 32 HA THR 32 -2.252 -7.057 -0.093 265 HB THR 32 HB THR 32 -4.787 -5.713 -0.950 266 HG1 THR 32 1HG THR 32 -4.170 -3.891 -0.151 267 HG21 THR 32 3HG2 THR 32 -5.434 -6.213 1.329 268 HG22 THR 32 1HG2 THR 32 -3.780 -6.663 1.744 269 HG23 THR 32 2HG2 THR 32 -4.712 -7.664 0.631 270 H VAL 33 H VAL 33 -3.721 -6.119 -3.191 271 HA VAL 33 HA VAL 33 -5.137 -8.467 -3.715 272 HB VAL 33 HB VAL 33 -3.761 -6.564 -5.623 273 HG11 VAL 33 1HG1 VAL 33 -5.784 -7.661 -7.049 274 HG12 VAL 33 2HG1 VAL 33 -5.345 -9.042 -6.044 275 HG13 VAL 33 3HG1 VAL 33 -4.137 -8.289 -7.085 276 HG21 VAL 33 3HG2 VAL 33 -5.661 -5.296 -5.513 277 HG22 VAL 33 1HG2 VAL 33 -5.840 -6.068 -3.939 278 HG23 VAL 33 2HG2 VAL 33 -6.710 -6.702 -5.336 279 H LEU 34 H LEU 34 -1.761 -7.637 -4.469 280 HA LEU 34 HA LEU 34 -1.111 -9.963 -5.895 281 HB2 LEU 34 2HB LEU 34 0.523 -8.125 -4.166 282 HB3 LEU 34 1HB LEU 34 1.249 -9.446 -5.081 283 HG LEU 34 HG LEU 34 -0.571 -7.519 -6.500 284 HD11 LEU 34 1HD1 LEU 34 2.182 -6.962 -5.460 285 HD12 LEU 34 2HD1 LEU 34 0.819 -5.863 -5.665 286 HD13 LEU 34 3HD1 LEU 34 1.759 -6.371 -7.068 287 HD21 LEU 34 3HD2 LEU 34 0.931 -8.086 -8.388 288 HD22 LEU 34 1HD2 LEU 34 0.264 -9.547 -7.660 289 HD23 LEU 34 2HD2 LEU 34 1.920 -9.065 -7.305 290 H ALA 35 H ALA 35 -0.674 -9.250 -2.430 291 HA ALA 35 HA ALA 35 0.359 -11.771 -1.710 292 HB1 ALA 35 1HB ALA 35 -1.304 -10.567 0.358 293 HB2 ALA 35 2HB ALA 35 -0.227 -9.390 -0.394 294 HB3 ALA 35 3HB ALA 35 0.437 -10.850 0.340 295 H LEU 36 H LEU 36 -2.905 -10.594 -2.158 296 HA LEU 36 HA LEU 36 -4.209 -12.829 -0.932 297 HB2 LEU 36 2HB LEU 36 -5.132 -10.444 -1.592 298 HB3 LEU 36 1HB LEU 36 -5.524 -11.250 -3.109 299 HG LEU 36 HG LEU 36 -6.442 -13.096 -1.315 300 HD11 LEU 36 1HD1 LEU 36 -6.941 -10.357 -0.106 301 HD12 LEU 36 2HD1 LEU 36 -5.909 -11.605 0.590 302 HD13 LEU 36 3HD1 LEU 36 -7.646 -11.875 0.450 303 HD21 LEU 36 3HD2 LEU 36 -7.845 -10.689 -2.505 304 HD22 LEU 36 1HD2 LEU 36 -8.695 -12.029 -1.737 305 HD23 LEU 36 2HD2 LEU 36 -7.733 -12.312 -3.187 306 H LEU 37 H LEU 37 -3.363 -12.011 -4.274 307 HA LEU 37 HA LEU 37 -4.562 -14.302 -5.451 308 HB2 LEU 37 2HB LEU 37 -3.168 -11.998 -6.336 309 HB3 LEU 37 1HB LEU 37 -2.310 -13.399 -6.982 310 HG LEU 37 HG LEU 37 -5.295 -12.917 -7.218 311 HD11 LEU 37 1HD1 LEU 37 -4.937 -12.218 -9.421 312 HD12 LEU 37 2HD1 LEU 37 -3.347 -12.974 -9.507 313 HD13 LEU 37 3HD1 LEU 37 -3.567 -11.488 -8.585 314 HD21 LEU 37 3HD2 LEU 37 -3.559 -15.243 -7.662 315 HD22 LEU 37 1HD2 LEU 37 -4.517 -14.819 -9.080 316 HD23 LEU 37 2HD2 LEU 37 -5.317 -15.161 -7.546 317 H SER 38 H SER 38 -1.287 -13.587 -4.305 318 HA SER 38 HA SER 38 -0.006 -15.908 -5.209 319 HB2 SER 38 2HB SER 38 1.649 -14.661 -4.333 320 HB3 SER 38 1HB SER 38 0.533 -13.781 -3.292 321 HG SER 38 HG SER 38 1.365 -16.441 -2.785 322 H HIS 39 H HIS 39 -1.687 -15.272 -2.136 323 HA HIS 39 HA HIS 39 -1.207 -17.771 -0.940 324 HB2 HIS 39 2HB HIS 39 -3.365 -15.699 -0.595 325 HB3 HIS 39 1HB HIS 39 -3.379 -17.203 0.327 326 HD2 HIS 39 2HD HIS 39 -2.665 -15.784 2.724 327 HE1 HIS 39 1HE HIS 39 1.212 -14.749 1.411 328 HE2 HIS 39 2HE HIS 39 -0.340 -14.818 3.420 329 H ARG 40 H ARG 40 -3.867 -16.643 -3.005 330 HA ARG 40 HA ARG 40 -5.430 -18.990 -2.880 331 HB2 ARG 40 2HB ARG 40 -5.182 -16.804 -4.943 332 HB3 ARG 40 1HB ARG 40 -6.322 -18.139 -5.116 333 HG2 ARG 40 2HG ARG 40 -7.370 -17.559 -2.977 334 HG3 ARG 40 1HG ARG 40 -6.201 -16.263 -2.735 335 HD2 ARG 40 2HD ARG 40 -7.709 -14.927 -3.765 336 HD3 ARG 40 1HD ARG 40 -7.205 -15.715 -5.256 337 HE ARG 40 HE ARG 40 -9.272 -16.746 -5.310 338 HH11 ARG 40 1HH2 ARG 40 -8.505 -15.735 -2.091 339 HH12 ARG 40 2HH2 ARG 40 -10.041 -16.195 -1.433 340 HH21 ARG 40 1HH1 ARG 40 -11.286 -17.351 -4.456 341 HH22 ARG 40 2HH1 ARG 40 -11.615 -17.111 -2.772 342 H ARG 41 H ARG 41 -2.909 -17.958 -5.167 343 HA ARG 41 HA ARG 41 -3.075 -20.155 -6.906 344 HB2 ARG 41 2HB ARG 41 -1.593 -17.863 -6.841 345 HB3 ARG 41 1HB ARG 41 -0.372 -19.068 -6.441 346 HG2 ARG 41 2HG ARG 41 -0.300 -19.052 -8.783 347 HG3 ARG 41 1HG ARG 41 -1.378 -20.407 -8.450 348 HD2 ARG 41 2HD ARG 41 -3.133 -18.284 -8.493 349 HD3 ARG 41 1HD ARG 41 -1.958 -17.816 -9.720 350 HE ARG 41 HE ARG 41 -3.895 -19.901 -9.937 351 HH11 ARG 41 1HH2 ARG 41 -0.675 -18.957 -10.776 352 HH12 ARG 41 2HH2 ARG 41 -0.616 -19.924 -12.212 353 HH21 ARG 41 1HH1 ARG 41 -3.828 -21.172 -11.819 354 HH22 ARG 41 2HH1 ARG 41 -2.403 -21.178 -12.803 355 H THR 42 H THR 42 -1.038 -19.636 -4.037 356 HA THR 42 HA THR 42 0.381 -22.061 -4.158 357 HB THR 42 HB THR 42 0.817 -21.683 -1.751 358 HG1 THR 42 1HG THR 42 -0.741 -20.731 -0.735 359 HG21 THR 42 3HG2 THR 42 1.251 -19.777 -3.909 360 HG22 THR 42 1HG2 THR 42 2.368 -20.323 -2.659 361 HG23 THR 42 2HG2 THR 42 1.260 -18.991 -2.331 362 H LEU 43 H LEU 43 -2.621 -21.209 -2.443 363 HA LEU 43 HA LEU 43 -3.048 -23.710 -1.228 364 HB2 LEU 43 2HB LEU 43 -4.835 -21.417 -1.979 365 HB3 LEU 43 1HB LEU 43 -5.531 -22.909 -1.345 366 HG LEU 43 HG LEU 43 -3.215 -21.638 0.083 367 HD11 LEU 43 1HD1 LEU 43 -4.658 -19.757 -0.075 368 HD12 LEU 43 2HD1 LEU 43 -5.019 -20.472 1.497 369 HD13 LEU 43 3HD1 LEU 43 -6.102 -20.748 0.133 370 HD21 LEU 43 3HD2 LEU 43 -5.561 -22.830 1.464 371 HD22 LEU 43 1HD2 LEU 43 -3.843 -23.013 1.809 372 HD23 LEU 43 2HD2 LEU 43 -4.585 -23.944 0.506 373 H GLN 44 H GLN 44 -3.940 -22.456 -4.405 374 HA GLN 44 HA GLN 44 -5.650 -24.537 -5.206 375 HB2 GLN 44 2HB GLN 44 -4.565 -22.217 -6.364 376 HB3 GLN 44 1HB GLN 44 -4.058 -23.546 -7.408 377 HG2 GLN 44 2HG GLN 44 -6.222 -22.761 -8.171 378 HG3 GLN 44 1HG GLN 44 -6.432 -24.350 -7.440 379 HE21 GLN 44 1HE2 GLN 44 -5.818 -22.248 -4.917 380 HE22 GLN 44 2HE2 GLN 44 -7.416 -21.865 -4.492 381 H GLN 45 H GLN 45 -2.134 -24.199 -5.382 382 HA GLN 45 HA GLN 45 -1.661 -26.542 -6.909 383 HB2 GLN 45 2HB GLN 45 -0.111 -24.473 -5.808 384 HB3 GLN 45 1HB GLN 45 0.500 -25.960 -5.082 385 HG2 GLN 45 2HG GLN 45 1.708 -25.625 -7.138 386 HG3 GLN 45 1HG GLN 45 0.581 -26.954 -7.406 387 HE21 GLN 45 1HE2 GLN 45 -1.164 -24.056 -7.212 388 HE22 GLN 45 2HE2 GLN 45 -1.291 -23.733 -8.874 389 H LYS 46 H LYS 46 -1.691 -25.918 -3.414 390 HA LYS 46 HA LYS 46 -0.919 -28.500 -2.586 391 HB2 LYS 46 2HB LYS 46 -1.703 -26.081 -1.352 392 HB3 LYS 46 1HB LYS 46 -2.777 -27.333 -0.726 393 HG2 LYS 46 2HG LYS 46 0.251 -27.511 -0.807 394 HG3 LYS 46 1HG LYS 46 -0.707 -27.143 0.628 395 HD2 LYS 46 2HD LYS 46 -1.870 -29.466 -0.425 396 HD3 LYS 46 1HD LYS 46 -0.131 -29.724 -0.580 397 HE2 LYS 46 2HE LYS 46 0.145 -29.089 1.812 398 HE3 LYS 46 1HE LYS 46 -1.607 -28.942 1.952 399 HZ1 LYS 46 3HZ LYS 46 -1.004 -31.097 2.694 400 HZ2 LYS 46 1HZ LYS 46 -0.050 -31.385 1.321 401 HZ3 LYS 46 2HZ LYS 46 -1.739 -31.288 1.174 402 H ILE 47 H ILE 47 -4.145 -27.056 -3.025 403 HA ILE 47 HA ILE 47 -5.615 -29.362 -2.288 404 HB ILE 47 HB ILE 47 -6.290 -26.939 -3.955 405 HG12 ILE 47 2HG1 ILE 47 -7.366 -27.869 -1.280 406 HG13 ILE 47 1HG1 ILE 47 -5.953 -26.822 -1.428 407 HG21 ILE 47 1HG2 ILE 47 -7.761 -28.518 -4.878 408 HG22 ILE 47 2HG2 ILE 47 -8.702 -27.860 -3.541 409 HG23 ILE 47 3HG2 ILE 47 -7.896 -29.418 -3.368 410 HD11 ILE 47 3HD1 ILE 47 -8.613 -26.164 -2.711 411 HD12 ILE 47 1HD1 ILE 47 -7.230 -25.094 -2.482 412 HD13 ILE 47 2HD1 ILE 47 -8.175 -25.621 -1.090 413 H TRP 48 H TRP 48 -4.044 -28.397 -5.246 414 HA TRP 48 HA TRP 48 -4.894 -30.940 -6.475 415 HB2 TRP 48 2HB TRP 48 -5.116 -28.176 -7.572 416 HB3 TRP 48 1HB TRP 48 -4.690 -29.479 -8.680 417 HD1 TRP 48 HD TRP 48 -6.375 -31.812 -8.089 418 HE1 TRP 48 1HE TRP 48 -8.951 -31.775 -8.042 419 HE3 TRP 48 3HE TRP 48 -7.173 -26.820 -7.359 420 HZ2 TRP 48 2HZ TRP 48 -11.071 -29.879 -7.735 421 HZ3 TRP 48 3HZ TRP 48 -9.478 -25.927 -7.194 422 HH2 TRP 48 HH TRP 48 -11.427 -27.449 -7.381 423 HA PRO 49 HA PRO 49 -0.262 -30.463 -6.294 424 HB2 PRO 49 2HB PRO 49 -0.561 -33.419 -6.087 425 HB3 PRO 49 1HB PRO 49 0.435 -32.315 -5.119 426 HG2 PRO 49 2HG PRO 49 -1.779 -33.404 -4.128 427 HG3 PRO 49 1HG PRO 49 -1.308 -31.739 -3.736 428 HD2 PRO 49 2HD PRO 49 -3.425 -32.700 -5.628 429 HD3 PRO 49 1HD PRO 49 -3.432 -31.292 -4.543 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -19.194 3.115 9.562 2 H2 MET 1 2HT MET 1 -19.991 1.675 9.146 3 H3 MET 1 3HT MET 1 -19.002 2.460 8.009 4 HA MET 1 HA MET 1 -18.298 0.582 10.040 5 HB2 MET 1 2HB MET 1 -17.686 1.148 7.385 6 HB3 MET 1 1HB MET 1 -16.205 1.563 8.248 7 HG2 MET 1 2HG MET 1 -17.700 -1.067 8.490 8 HG3 MET 1 1HG MET 1 -16.210 -0.818 7.582 9 HE1 MET 1 2HE MET 1 -14.908 -2.911 10.444 10 HE2 MET 1 3HE MET 1 -14.344 -2.313 8.886 11 HE3 MET 1 1HE MET 1 -15.980 -2.967 9.046 12 H SER 2 H SER 2 -18.653 3.528 10.763 13 HA SER 2 HA SER 2 -17.663 5.056 12.164 14 HB2 SER 2 2HB SER 2 -17.328 2.834 13.434 15 HB3 SER 2 1HB SER 2 -15.659 2.926 12.879 16 HG SER 2 HG SER 2 -16.073 5.277 13.748 17 H GLU 3 H GLU 3 -16.790 4.990 9.452 18 HA GLU 3 HA GLU 3 -14.034 5.041 9.101 19 HB2 GLU 3 2HB GLU 3 -14.879 6.944 7.328 20 HB3 GLU 3 1HB GLU 3 -14.965 5.204 7.042 21 HG2 GLU 3 2HG GLU 3 -17.194 6.561 8.532 22 HG3 GLU 3 1HG GLU 3 -17.123 6.698 6.785 23 HA PRO 4 HA PRO 4 -12.695 8.750 11.089 24 HB2 PRO 4 2HB PRO 4 -10.711 9.596 9.407 25 HB3 PRO 4 1HB PRO 4 -10.543 8.192 10.477 26 HG2 PRO 4 2HG PRO 4 -11.155 8.287 7.563 27 HG3 PRO 4 1HG PRO 4 -10.108 7.173 8.463 28 HD2 PRO 4 2HD PRO 4 -12.626 6.493 7.670 29 HD3 PRO 4 1HD PRO 4 -11.860 5.834 9.133 30 H ALA 5 H ALA 5 -13.145 10.930 11.125 31 HA ALA 5 HA ALA 5 -14.935 11.994 9.205 32 HB1 ALA 5 1HB ALA 5 -13.436 13.855 10.967 33 HB2 ALA 5 2HB ALA 5 -14.404 12.615 11.762 34 HB3 ALA 5 3HB ALA 5 -15.167 13.754 10.654 35 H SER 6 H SER 6 -11.646 11.573 9.062 36 HA SER 6 HA SER 6 -10.797 13.972 7.796 37 HB2 SER 6 2HB SER 6 -9.496 11.369 7.137 38 HB3 SER 6 1HB SER 6 -8.765 12.927 7.517 39 HG SER 6 HG SER 6 -8.621 12.234 9.485 40 H LEU 7 H LEU 7 -12.318 11.033 6.646 41 HA LEU 7 HA LEU 7 -11.784 11.182 3.929 42 HB2 LEU 7 2HB LEU 7 -13.494 9.694 5.597 43 HB3 LEU 7 1HB LEU 7 -14.531 10.413 4.366 44 HG LEU 7 HG LEU 7 -12.013 8.807 3.843 45 HD11 LEU 7 1HD1 LEU 7 -14.791 8.075 2.961 46 HD12 LEU 7 2HD1 LEU 7 -14.270 7.693 4.602 47 HD13 LEU 7 3HD1 LEU 7 -13.396 7.028 3.222 48 HD21 LEU 7 3HD2 LEU 7 -13.607 10.648 2.209 49 HD22 LEU 7 1HD2 LEU 7 -13.457 9.048 1.483 50 HD23 LEU 7 2HD2 LEU 7 -12.010 9.968 1.896 51 H LEU 8 H LEU 8 -14.551 12.590 5.680 52 HA LEU 8 HA LEU 8 -15.579 13.954 3.427 53 HB2 LEU 8 2HB LEU 8 -16.320 13.570 6.145 54 HB3 LEU 8 1HB LEU 8 -16.312 15.305 5.837 55 HG LEU 8 HG LEU 8 -17.747 13.226 4.161 56 HD11 LEU 8 1HD1 LEU 8 -19.790 14.353 5.046 57 HD12 LEU 8 2HD1 LEU 8 -18.763 15.324 6.102 58 HD13 LEU 8 3HD1 LEU 8 -18.846 13.575 6.317 59 HD21 LEU 8 3HD2 LEU 8 -17.030 16.046 3.739 60 HD22 LEU 8 1HD2 LEU 8 -18.753 15.730 3.541 61 HD23 LEU 8 2HD2 LEU 8 -17.577 14.843 2.573 62 H THR 9 H THR 9 -13.601 15.016 6.157 63 HA THR 9 HA THR 9 -13.390 17.722 5.401 64 HB THR 9 HB THR 9 -11.151 16.307 6.804 65 HG1 THR 9 1HG THR 9 -13.516 15.777 7.447 66 HG21 THR 9 3HG2 THR 9 -11.403 18.868 6.270 67 HG22 THR 9 1HG2 THR 9 -10.836 18.359 7.861 68 HG23 THR 9 2HG2 THR 9 -12.517 18.845 7.638 69 H ALA 10 H ALA 10 -12.210 14.984 3.888 70 HA ALA 10 HA ALA 10 -10.031 16.482 2.576 71 HB1 ALA 10 1HB ALA 10 -10.478 13.497 2.576 72 HB2 ALA 10 2HB ALA 10 -9.424 14.334 3.716 73 HB3 ALA 10 3HB ALA 10 -9.056 14.359 1.991 74 H SER 11 H SER 11 -13.152 16.038 2.120 75 HA SER 11 HA SER 11 -13.590 14.840 -0.319 76 HB2 SER 11 2HB SER 11 -14.916 16.951 1.237 77 HB3 SER 11 1HB SER 11 -15.278 16.946 -0.480 78 HG SER 11 HG SER 11 -15.651 14.900 1.430 79 H ASP 12 H ASP 12 -13.390 18.341 -0.033 80 HA ASP 12 HA ASP 12 -11.584 18.455 -2.340 81 HB2 ASP 12 2HB ASP 12 -14.418 19.109 -2.426 82 HB3 ASP 12 1HB ASP 12 -13.419 20.473 -2.904 83 H LEU 13 H LEU 13 -11.567 19.114 0.602 84 HA LEU 13 HA LEU 13 -11.238 22.022 0.574 85 HB2 LEU 13 2HB LEU 13 -10.659 20.277 2.946 86 HB3 LEU 13 1HB LEU 13 -11.273 21.930 2.902 87 HG LEU 13 HG LEU 13 -12.773 19.422 2.104 88 HD11 LEU 13 1HD1 LEU 13 -13.698 21.394 4.156 89 HD12 LEU 13 2HD1 LEU 13 -12.403 20.284 4.601 90 HD13 LEU 13 3HD1 LEU 13 -13.964 19.652 4.079 91 HD21 LEU 13 3HD2 LEU 13 -13.291 22.341 1.668 92 HD22 LEU 13 1HD2 LEU 13 -14.663 21.295 2.031 93 HD23 LEU 13 2HD2 LEU 13 -13.658 20.972 0.618 94 H ASP 14 H ASP 14 -9.357 19.091 0.585 95 HA ASP 14 HA ASP 14 -6.912 20.707 0.345 96 HB2 ASP 14 2HB ASP 14 -7.554 18.833 2.512 97 HB3 ASP 14 1HB ASP 14 -5.985 18.580 1.759 98 HA PRO 15 HA PRO 15 -7.333 17.561 -3.042 99 HB2 PRO 15 2HB PRO 15 -5.499 19.570 -4.255 100 HB3 PRO 15 1HB PRO 15 -6.933 18.790 -4.946 101 HG2 PRO 15 2HG PRO 15 -6.994 21.324 -4.149 102 HG3 PRO 15 1HG PRO 15 -8.386 20.250 -3.916 103 HD2 PRO 15 2HD PRO 15 -6.379 21.204 -1.903 104 HD3 PRO 15 1HD PRO 15 -8.121 20.893 -1.706 105 H LEU 16 H LEU 16 -4.500 19.213 -1.718 106 HA LEU 16 HA LEU 16 -2.472 17.574 -2.730 107 HB2 LEU 16 2HB LEU 16 -2.584 18.922 -0.019 108 HB3 LEU 16 1HB LEU 16 -1.127 18.361 -0.842 109 HG LEU 16 HG LEU 16 -2.863 20.157 -2.434 110 HD11 LEU 16 1HD1 LEU 16 -3.096 21.307 -0.334 111 HD12 LEU 16 2HD1 LEU 16 -1.866 22.166 -1.263 112 HD13 LEU 16 3HD1 LEU 16 -1.388 21.081 0.042 113 HD21 LEU 16 3HD2 LEU 16 -0.782 20.907 -3.275 114 HD22 LEU 16 1HD2 LEU 16 -0.531 19.186 -2.982 115 HD23 LEU 16 2HD2 LEU 16 0.086 20.375 -1.835 116 H ILE 17 H ILE 17 -4.147 17.327 0.417 117 HA ILE 17 HA ILE 17 -2.944 14.938 1.262 118 HB ILE 17 HB ILE 17 -5.636 16.165 1.878 119 HG12 ILE 17 2HG1 ILE 17 -3.156 15.844 3.590 120 HG13 ILE 17 1HG1 ILE 17 -3.469 17.278 2.611 121 HG21 ILE 17 1HG2 ILE 17 -5.949 13.828 2.289 122 HG22 ILE 17 2HG2 ILE 17 -5.564 14.540 3.850 123 HG23 ILE 17 3HG2 ILE 17 -4.325 13.661 2.956 124 HD11 ILE 17 3HD1 ILE 17 -5.016 18.064 4.064 125 HD12 ILE 17 1HD1 ILE 17 -4.353 16.891 5.206 126 HD13 ILE 17 2HD1 ILE 17 -5.772 16.479 4.242 127 H LEU 18 H LEU 18 -5.779 15.534 -0.763 128 HA LEU 18 HA LEU 18 -6.730 12.869 -0.885 129 HB2 LEU 18 2HB LEU 18 -7.278 15.386 -2.182 130 HB3 LEU 18 1HB LEU 18 -7.249 14.095 -3.377 131 HG LEU 18 HG LEU 18 -8.803 13.964 -0.774 132 HD11 LEU 18 1HD1 LEU 18 -9.633 14.759 -3.572 133 HD12 LEU 18 2HD1 LEU 18 -9.832 15.682 -2.082 134 HD13 LEU 18 3HD1 LEU 18 -10.790 14.225 -2.353 135 HD21 LEU 18 3HD2 LEU 18 -8.111 12.041 -2.832 136 HD22 LEU 18 1HD2 LEU 18 -9.857 12.263 -2.763 137 HD23 LEU 18 2HD2 LEU 18 -8.970 11.781 -1.319 138 H THR 19 H THR 19 -4.402 14.636 -2.896 139 HA THR 19 HA THR 19 -3.983 12.630 -4.826 140 HB THR 19 HB THR 19 -1.898 14.588 -3.848 141 HG1 THR 19 1HG THR 19 -3.057 15.626 -5.872 142 HG21 THR 19 3HG2 THR 19 -1.298 12.762 -5.508 143 HG22 THR 19 1HG2 THR 19 -1.024 14.409 -6.074 144 HG23 THR 19 2HG2 THR 19 -2.440 13.512 -6.623 145 H LEU 20 H LEU 20 -2.092 13.407 -1.899 146 HA LEU 20 HA LEU 20 -0.297 11.238 -2.125 147 HB2 LEU 20 2HB LEU 20 -0.967 13.274 -0.139 148 HB3 LEU 20 1HB LEU 20 -0.499 11.739 0.591 149 HG LEU 20 HG LEU 20 1.575 11.708 -0.681 150 HD11 LEU 20 1HD1 LEU 20 1.482 12.704 -2.713 151 HD12 LEU 20 2HD1 LEU 20 1.819 14.206 -1.852 152 HD13 LEU 20 3HD1 LEU 20 0.155 13.760 -2.225 153 HD21 LEU 20 3HD2 LEU 20 1.209 14.501 0.436 154 HD22 LEU 20 1HD2 LEU 20 2.697 13.556 0.376 155 HD23 LEU 20 2HD2 LEU 20 1.388 13.073 1.455 156 H SER 21 H SER 21 -3.424 11.557 -0.517 157 HA SER 21 HA SER 21 -3.398 9.075 0.829 158 HB2 SER 21 2HB SER 21 -5.037 10.671 1.489 159 HB3 SER 21 1HB SER 21 -5.639 10.846 -0.156 160 HG SER 21 HG SER 21 -6.570 9.256 1.652 161 H LEU 22 H LEU 22 -4.833 10.014 -2.304 162 HA LEU 22 HA LEU 22 -5.837 7.507 -3.026 163 HB2 LEU 22 2HB LEU 22 -5.365 10.045 -4.312 164 HB3 LEU 22 1HB LEU 22 -4.938 8.726 -5.395 165 HG LEU 22 HG LEU 22 -7.139 7.676 -4.973 166 HD11 LEU 22 1HD1 LEU 22 -8.213 8.258 -3.078 167 HD12 LEU 22 2HD1 LEU 22 -8.620 9.785 -3.862 168 HD13 LEU 22 3HD1 LEU 22 -7.174 9.667 -2.859 169 HD21 LEU 22 3HD2 LEU 22 -6.593 9.943 -6.508 170 HD22 LEU 22 1HD2 LEU 22 -8.087 10.351 -5.666 171 HD23 LEU 22 2HD2 LEU 22 -8.007 8.901 -6.667 172 H ILE 23 H ILE 23 -2.593 8.837 -3.299 173 HA ILE 23 HA ILE 23 -1.509 6.857 -5.002 174 HB ILE 23 HB ILE 23 -0.385 8.851 -3.073 175 HG12 ILE 23 2HG1 ILE 23 0.439 8.309 -5.921 176 HG13 ILE 23 1HG1 ILE 23 -1.056 9.183 -5.579 177 HG21 ILE 23 1HG2 ILE 23 1.909 7.958 -3.841 178 HG22 ILE 23 2HG2 ILE 23 1.054 6.474 -4.254 179 HG23 ILE 23 3HG2 ILE 23 1.078 7.046 -2.583 180 HD11 ILE 23 3HD1 ILE 23 1.412 10.048 -4.137 181 HD12 ILE 23 1HD1 ILE 23 0.049 11.010 -4.705 182 HD13 ILE 23 2HD1 ILE 23 1.275 10.461 -5.846 183 H LEU 24 H LEU 24 -1.064 7.213 -1.469 184 HA LEU 24 HA LEU 24 0.091 4.700 -1.048 185 HB2 LEU 24 2HB LEU 24 -1.342 6.671 0.694 186 HB3 LEU 24 1HB LEU 24 -0.961 5.075 1.338 187 HG LEU 24 HG LEU 24 1.178 6.626 -0.089 188 HD11 LEU 24 1HD1 LEU 24 0.725 8.326 1.400 189 HD12 LEU 24 2HD1 LEU 24 1.719 7.310 2.443 190 HD13 LEU 24 3HD1 LEU 24 -0.040 7.246 2.565 191 HD21 LEU 24 3HD2 LEU 24 1.593 5.055 2.409 192 HD22 LEU 24 1HD2 LEU 24 2.592 5.145 0.961 193 HD23 LEU 24 2HD2 LEU 24 1.141 4.146 0.968 194 H VAL 25 H VAL 25 -3.270 5.693 -1.193 195 HA VAL 25 HA VAL 25 -4.450 3.347 -0.160 196 HB VAL 25 HB VAL 25 -5.454 5.378 -2.158 197 HG11 VAL 25 1HG1 VAL 25 -7.721 4.322 -1.377 198 HG12 VAL 25 2HG1 VAL 25 -6.730 2.913 -1.001 199 HG13 VAL 25 3HG1 VAL 25 -6.799 3.526 -2.654 200 HG21 VAL 25 3HG2 VAL 25 -4.983 5.663 0.503 201 HG22 VAL 25 1HG2 VAL 25 -6.628 5.028 0.547 202 HG23 VAL 25 2HG2 VAL 25 -6.277 6.510 -0.343 203 H LEU 26 H LEU 26 -3.829 4.298 -3.548 204 HA LEU 26 HA LEU 26 -4.693 1.863 -4.688 205 HB2 LEU 26 2HB LEU 26 -3.731 4.329 -5.622 206 HB3 LEU 26 1HB LEU 26 -2.598 3.124 -6.233 207 HG LEU 26 HG LEU 26 -5.616 3.013 -6.526 208 HD11 LEU 26 1HD1 LEU 26 -3.362 3.812 -8.361 209 HD12 LEU 26 2HD1 LEU 26 -4.879 4.653 -8.048 210 HD13 LEU 26 3HD1 LEU 26 -4.872 3.177 -9.014 211 HD21 LEU 26 3HD2 LEU 26 -5.223 0.800 -6.794 212 HD22 LEU 26 1HD2 LEU 26 -3.477 1.038 -6.831 213 HD23 LEU 26 2HD2 LEU 26 -4.426 1.237 -8.305 214 H ILE 27 H ILE 27 -1.488 3.020 -3.701 215 HA ILE 27 HA ILE 27 0.021 0.838 -4.621 216 HB ILE 27 HB ILE 27 0.414 2.814 -2.387 217 HG12 ILE 27 2HG1 ILE 27 1.990 2.307 -4.927 218 HG13 ILE 27 1HG1 ILE 27 0.644 3.444 -4.838 219 HG21 ILE 27 1HG2 ILE 27 2.041 0.384 -3.098 220 HG22 ILE 27 2HG2 ILE 27 1.594 0.986 -1.502 221 HG23 ILE 27 3HG2 ILE 27 2.829 1.818 -2.443 222 HD11 ILE 27 3HD1 ILE 27 3.263 3.558 -3.325 223 HD12 ILE 27 1HD1 ILE 27 1.872 4.553 -2.897 224 HD13 ILE 27 2HD1 ILE 27 2.631 4.735 -4.476 225 H SER 28 H SER 28 -1.342 1.444 -1.375 226 HA SER 28 HA SER 28 -0.555 -1.005 -0.231 227 HB2 SER 28 2HB SER 28 -2.297 -0.551 1.454 228 HB3 SER 28 1HB SER 28 -1.347 0.890 1.107 229 HG SER 28 HG SER 28 -3.427 1.545 0.980 230 H LEU 29 H LEU 29 -3.411 -0.119 -2.095 231 HA LEU 29 HA LEU 29 -4.849 -2.532 -1.669 232 HB2 LEU 29 2HB LEU 29 -5.630 -0.228 -2.647 233 HB3 LEU 29 1HB LEU 29 -5.134 -0.929 -4.186 234 HG LEU 29 HG LEU 29 -6.533 -3.009 -3.220 235 HD11 LEU 29 1HD1 LEU 29 -7.876 -0.551 -2.050 236 HD12 LEU 29 2HD1 LEU 29 -7.084 -1.822 -1.115 237 HD13 LEU 29 3HD1 LEU 29 -8.534 -2.188 -2.049 238 HD21 LEU 29 3HD2 LEU 29 -7.108 -2.175 -5.340 239 HD22 LEU 29 1HD2 LEU 29 -7.419 -0.553 -4.724 240 HD23 LEU 29 2HD2 LEU 29 -8.562 -1.854 -4.397 241 H LEU 30 H LEU 30 -2.738 -1.427 -4.315 242 HA LEU 30 HA LEU 30 -2.943 -3.695 -5.947 243 HB2 LEU 30 2HB LEU 30 -1.707 -1.356 -6.252 244 HB3 LEU 30 1HB LEU 30 -0.314 -2.297 -5.717 245 HG LEU 30 HG LEU 30 -1.228 -4.038 -7.498 246 HD11 LEU 30 1HD1 LEU 30 -3.227 -2.463 -7.911 247 HD12 LEU 30 2HD1 LEU 30 -2.383 -3.069 -9.333 248 HD13 LEU 30 3HD1 LEU 30 -2.081 -1.430 -8.761 249 HD21 LEU 30 3HD2 LEU 30 0.180 -2.802 -9.234 250 HD22 LEU 30 1HD2 LEU 30 0.971 -3.119 -7.690 251 HD23 LEU 30 2HD2 LEU 30 0.342 -1.509 -8.045 252 H LEU 31 H LEU 31 -0.890 -3.039 -3.148 253 HA LEU 31 HA LEU 31 0.766 -5.328 -3.396 254 HB2 LEU 31 2HB LEU 31 1.427 -3.459 -1.989 255 HB3 LEU 31 1HB LEU 31 0.008 -3.690 -0.967 256 HG LEU 31 HG LEU 31 1.575 -6.142 -1.289 257 HD11 LEU 31 1HD1 LEU 31 3.488 -4.686 -1.382 258 HD12 LEU 31 2HD1 LEU 31 3.395 -5.321 0.262 259 HD13 LEU 31 3HD1 LEU 31 2.851 -3.679 -0.082 260 HD21 LEU 31 3HD2 LEU 31 1.238 -6.249 1.112 261 HD22 LEU 31 1HD2 LEU 31 -0.262 -5.682 0.374 262 HD23 LEU 31 2HD2 LEU 31 0.816 -4.536 1.169 263 H THR 32 H THR 32 -2.188 -4.699 -1.511 264 HA THR 32 HA THR 32 -2.336 -7.268 -0.323 265 HB THR 32 HB THR 32 -4.754 -5.589 -0.940 266 HG1 THR 32 1HG THR 32 -2.518 -4.947 0.534 267 HG21 THR 32 3HG2 THR 32 -5.510 -6.446 1.195 268 HG22 THR 32 1HG2 THR 32 -3.928 -7.155 1.517 269 HG23 THR 32 2HG2 THR 32 -4.938 -7.805 0.226 270 H VAL 33 H VAL 33 -3.608 -5.927 -3.333 271 HA VAL 33 HA VAL 33 -5.312 -8.020 -4.074 272 HB VAL 33 HB VAL 33 -3.638 -6.166 -5.785 273 HG11 VAL 33 1HG1 VAL 33 -5.705 -8.248 -6.456 274 HG12 VAL 33 2HG1 VAL 33 -4.179 -7.900 -7.267 275 HG13 VAL 33 3HG1 VAL 33 -5.549 -6.807 -7.459 276 HG21 VAL 33 3HG2 VAL 33 -5.911 -5.749 -4.153 277 HG22 VAL 33 1HG2 VAL 33 -6.503 -5.770 -5.814 278 HG23 VAL 33 2HG2 VAL 33 -5.235 -4.637 -5.343 279 H LEU 34 H LEU 34 -1.863 -7.521 -4.849 280 HA LEU 34 HA LEU 34 -1.524 -9.898 -6.330 281 HB2 LEU 34 2HB LEU 34 0.418 -8.244 -4.729 282 HB3 LEU 34 1HB LEU 34 0.914 -9.584 -5.762 283 HG LEU 34 HG LEU 34 -0.872 -7.509 -6.957 284 HD11 LEU 34 1HD1 LEU 34 0.819 -6.158 -5.794 285 HD12 LEU 34 2HD1 LEU 34 1.102 -6.119 -7.533 286 HD13 LEU 34 3HD1 LEU 34 2.104 -7.136 -6.500 287 HD21 LEU 34 3HD2 LEU 34 1.519 -9.085 -7.969 288 HD22 LEU 34 1HD2 LEU 34 0.472 -8.062 -8.952 289 HD23 LEU 34 2HD2 LEU 34 -0.171 -9.526 -8.211 290 H ALA 35 H ALA 35 -0.786 -9.207 -2.913 291 HA ALA 35 HA ALA 35 0.138 -11.740 -2.196 292 HB1 ALA 35 1HB ALA 35 -0.365 -9.351 -0.874 293 HB2 ALA 35 2HB ALA 35 0.269 -10.827 -0.145 294 HB3 ALA 35 3HB ALA 35 -1.463 -10.494 -0.102 295 H LEU 36 H LEU 36 -3.114 -10.530 -2.612 296 HA LEU 36 HA LEU 36 -4.456 -12.713 -1.326 297 HB2 LEU 36 2HB LEU 36 -5.193 -10.299 -2.669 298 HB3 LEU 36 1HB LEU 36 -6.102 -11.623 -3.381 299 HG LEU 36 HG LEU 36 -5.879 -11.117 -0.396 300 HD11 LEU 36 1HD1 LEU 36 -8.517 -10.734 -1.196 301 HD12 LEU 36 2HD1 LEU 36 -7.578 -9.929 -2.455 302 HD13 LEU 36 3HD1 LEU 36 -7.372 -9.464 -0.766 303 HD21 LEU 36 3HD2 LEU 36 -6.808 -13.335 -1.999 304 HD22 LEU 36 1HD2 LEU 36 -8.164 -12.631 -1.121 305 HD23 LEU 36 2HD2 LEU 36 -6.740 -13.195 -0.245 306 H LEU 37 H LEU 37 -3.805 -11.977 -4.752 307 HA LEU 37 HA LEU 37 -4.951 -14.330 -5.801 308 HB2 LEU 37 2HB LEU 37 -3.155 -12.192 -6.774 309 HB3 LEU 37 1HB LEU 37 -3.015 -13.734 -7.618 310 HG LEU 37 HG LEU 37 -5.731 -12.557 -7.065 311 HD11 LEU 37 1HD1 LEU 37 -5.506 -11.647 -9.472 312 HD12 LEU 37 2HD1 LEU 37 -3.766 -11.772 -9.213 313 HD13 LEU 37 3HD1 LEU 37 -4.739 -10.727 -8.177 314 HD21 LEU 37 3HD2 LEU 37 -6.449 -14.124 -8.588 315 HD22 LEU 37 1HD2 LEU 37 -4.972 -14.947 -8.082 316 HD23 LEU 37 2HD2 LEU 37 -4.987 -13.993 -9.565 317 H SER 38 H SER 38 -1.650 -13.582 -4.757 318 HA SER 38 HA SER 38 -0.457 -15.999 -5.587 319 HB2 SER 38 2HB SER 38 0.254 -14.043 -3.405 320 HB3 SER 38 1HB SER 38 1.250 -15.442 -3.794 321 HG SER 38 HG SER 38 0.916 -14.487 -6.077 322 H HIS 39 H HIS 39 -1.899 -15.048 -2.479 323 HA HIS 39 HA HIS 39 -1.351 -17.373 -1.038 324 HB2 HIS 39 2HB HIS 39 -2.340 -15.203 -0.164 325 HB3 HIS 39 1HB HIS 39 -3.894 -15.763 -0.783 326 HD2 HIS 39 2HD HIS 39 -2.663 -15.682 2.561 327 HE1 HIS 39 1HE HIS 39 -3.871 -19.718 2.274 328 HE2 HIS 39 2HE HIS 39 -3.239 -17.859 3.885 329 H ARG 40 H ARG 40 -4.244 -16.565 -2.957 330 HA ARG 40 HA ARG 40 -5.572 -19.026 -2.565 331 HB2 ARG 40 2HB ARG 40 -5.774 -17.132 -4.919 332 HB3 ARG 40 1HB ARG 40 -6.946 -18.372 -4.481 333 HG2 ARG 40 2HG ARG 40 -6.208 -16.451 -2.332 334 HG3 ARG 40 1HG ARG 40 -7.159 -15.803 -3.665 335 HD2 ARG 40 2HD ARG 40 -8.822 -17.604 -3.346 336 HD3 ARG 40 1HD ARG 40 -7.867 -18.242 -2.010 337 HE ARG 40 HE ARG 40 -8.325 -15.629 -1.317 338 HH11 ARG 40 1HH2 ARG 40 -10.274 -18.320 -2.286 339 HH12 ARG 40 2HH2 ARG 40 -11.655 -17.830 -1.362 340 HH21 ARG 40 1HH1 ARG 40 -10.132 -14.980 -0.104 341 HH22 ARG 40 2HH1 ARG 40 -11.575 -15.939 -0.127 342 H ARG 41 H ARG 41 -3.117 -17.998 -4.852 343 HA ARG 41 HA ARG 41 -3.352 -20.192 -6.642 344 HB2 ARG 41 2HB ARG 41 -1.619 -17.902 -6.282 345 HB3 ARG 41 1HB ARG 41 -0.676 -19.339 -6.674 346 HG2 ARG 41 2HG ARG 41 -1.887 -19.708 -8.691 347 HG3 ARG 41 1HG ARG 41 -3.151 -18.564 -8.236 348 HD2 ARG 41 2HD ARG 41 -1.593 -16.705 -8.403 349 HD3 ARG 41 1HD ARG 41 -0.266 -17.808 -8.747 350 HE ARG 41 HE ARG 41 -2.254 -16.887 -10.614 351 HH11 ARG 41 1HH2 ARG 41 -0.134 -19.478 -9.738 352 HH12 ARG 41 2HH2 ARG 41 -0.001 -20.100 -11.349 353 HH21 ARG 41 1HH1 ARG 41 -2.083 -17.695 -12.731 354 HH22 ARG 41 2HH1 ARG 41 -1.105 -19.089 -13.043 355 H THR 42 H THR 42 -1.312 -19.598 -3.804 356 HA THR 42 HA THR 42 0.232 -21.947 -3.949 357 HB THR 42 HB THR 42 -0.626 -20.698 -1.347 358 HG1 THR 42 1HG THR 42 1.032 -19.688 -3.386 359 HG21 THR 42 3HG2 THR 42 1.541 -21.381 -0.613 360 HG22 THR 42 1HG2 THR 42 2.072 -21.703 -2.263 361 HG23 THR 42 2HG2 THR 42 0.877 -22.751 -1.501 362 H LEU 43 H LEU 43 -2.871 -21.282 -2.347 363 HA LEU 43 HA LEU 43 -3.199 -23.766 -1.086 364 HB2 LEU 43 2HB LEU 43 -4.789 -21.429 -1.594 365 HB3 LEU 43 1HB LEU 43 -5.752 -22.865 -1.937 366 HG LEU 43 HG LEU 43 -4.169 -22.410 0.611 367 HD11 LEU 43 1HD1 LEU 43 -7.172 -22.402 0.253 368 HD12 LEU 43 2HD1 LEU 43 -6.209 -20.925 0.234 369 HD13 LEU 43 3HD1 LEU 43 -6.255 -21.931 1.683 370 HD21 LEU 43 3HD2 LEU 43 -4.417 -24.647 0.820 371 HD22 LEU 43 1HD2 LEU 43 -5.464 -24.731 -0.594 372 HD23 LEU 43 2HD2 LEU 43 -6.149 -24.354 0.985 373 H GLN 44 H GLN 44 -4.057 -22.680 -4.348 374 HA GLN 44 HA GLN 44 -5.495 -24.919 -5.206 375 HB2 GLN 44 2HB GLN 44 -5.338 -22.847 -6.515 376 HB3 GLN 44 1HB GLN 44 -3.629 -23.157 -6.813 377 HG2 GLN 44 2HG GLN 44 -4.134 -25.162 -8.057 378 HG3 GLN 44 1HG GLN 44 -5.835 -25.074 -7.601 379 HE21 GLN 44 1HE2 GLN 44 -5.774 -25.151 -10.205 380 HE22 GLN 44 2HE2 GLN 44 -5.830 -23.628 -10.951 381 H GLN 45 H GLN 45 -1.996 -24.265 -5.439 382 HA GLN 45 HA GLN 45 -1.276 -26.683 -6.684 383 HB2 GLN 45 2HB GLN 45 0.065 -24.434 -5.489 384 HB3 GLN 45 1HB GLN 45 0.843 -25.932 -4.974 385 HG2 GLN 45 2HG GLN 45 1.106 -26.651 -7.278 386 HG3 GLN 45 1HG GLN 45 0.183 -25.266 -7.856 387 HE21 GLN 45 1HE2 GLN 45 1.220 -23.137 -7.772 388 HE22 GLN 45 2HE2 GLN 45 2.898 -22.992 -7.557 389 H LYS 46 H LYS 46 -1.644 -25.824 -3.272 390 HA LYS 46 HA LYS 46 -0.620 -28.241 -2.201 391 HB2 LYS 46 2HB LYS 46 -2.552 -26.197 -1.090 392 HB3 LYS 46 1HB LYS 46 -1.934 -27.560 -0.156 393 HG2 LYS 46 2HG LYS 46 0.177 -26.080 -1.554 394 HG3 LYS 46 1HG LYS 46 -0.701 -25.095 -0.382 395 HD2 LYS 46 2HD LYS 46 -0.272 -26.716 1.379 396 HD3 LYS 46 1HD LYS 46 0.478 -27.821 0.227 397 HE2 LYS 46 2HE LYS 46 2.275 -26.234 -0.196 398 HE3 LYS 46 1HE LYS 46 1.497 -25.030 0.831 399 HZ1 LYS 46 3HZ LYS 46 3.187 -26.106 2.090 400 HZ2 LYS 46 1HZ LYS 46 2.615 -27.647 1.668 401 HZ3 LYS 46 2HZ LYS 46 1.689 -26.647 2.682 402 H ILE 47 H ILE 47 -3.871 -27.217 -3.156 403 HA ILE 47 HA ILE 47 -5.136 -29.621 -2.245 404 HB ILE 47 HB ILE 47 -6.016 -27.346 -4.024 405 HG12 ILE 47 2HG1 ILE 47 -5.774 -27.335 -1.382 406 HG13 ILE 47 1HG1 ILE 47 -7.176 -26.590 -2.153 407 HG21 ILE 47 1HG2 ILE 47 -7.266 -29.121 -4.931 408 HG22 ILE 47 2HG2 ILE 47 -8.334 -28.497 -3.681 409 HG23 ILE 47 3HG2 ILE 47 -7.381 -29.954 -3.382 410 HD11 ILE 47 3HD1 ILE 47 -7.247 -29.502 -1.367 411 HD12 ILE 47 1HD1 ILE 47 -8.586 -28.387 -1.617 412 HD13 ILE 47 2HD1 ILE 47 -7.575 -28.254 -0.180 413 H TRP 48 H TRP 48 -3.735 -28.510 -5.259 414 HA TRP 48 HA TRP 48 -4.000 -31.233 -6.329 415 HB2 TRP 48 2HB TRP 48 -5.854 -30.053 -7.325 416 HB3 TRP 48 1HB TRP 48 -4.805 -28.710 -7.783 417 HD1 TRP 48 HD TRP 48 -4.597 -32.552 -8.282 418 HE1 TRP 48 1HE TRP 48 -3.974 -33.002 -10.743 419 HE3 TRP 48 3HE TRP 48 -4.336 -27.756 -10.016 420 HZ2 TRP 48 2HZ TRP 48 -3.434 -31.522 -13.131 421 HZ3 TRP 48 3HZ TRP 48 -3.766 -27.305 -12.385 422 HH2 TRP 48 HH TRP 48 -3.314 -29.180 -13.944 423 HA PRO 49 HA PRO 49 0.185 -29.325 -6.977 424 HB2 PRO 49 2HB PRO 49 1.623 -31.231 -5.658 425 HB3 PRO 49 1HB PRO 49 0.918 -29.819 -4.851 426 HG2 PRO 49 2HG PRO 49 0.013 -32.635 -4.871 427 HG3 PRO 49 1HG PRO 49 -0.129 -31.411 -3.606 428 HD2 PRO 49 2HD PRO 49 -2.175 -32.201 -5.332 429 HD3 PRO 49 1HD PRO 49 -2.165 -30.705 -4.372 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -15.571 11.200 -16.312 2 H2 MET 1 2HT MET 1 -14.180 10.674 -15.492 3 H3 MET 1 3HT MET 1 -14.380 12.321 -15.861 4 HA MET 1 HA MET 1 -15.585 10.722 -13.736 5 HB2 MET 1 2HB MET 1 -14.869 13.662 -13.954 6 HB3 MET 1 1HB MET 1 -15.232 12.771 -12.476 7 HG2 MET 1 2HG MET 1 -13.075 12.161 -12.306 8 HG3 MET 1 1HG MET 1 -13.179 11.361 -13.873 9 HE1 MET 1 2HE MET 1 -11.409 11.730 -15.326 10 HE2 MET 1 3HE MET 1 -10.464 12.035 -13.870 11 HE3 MET 1 1HE MET 1 -10.280 13.081 -15.283 12 H SER 2 H SER 2 -17.455 11.857 -12.606 13 HA SER 2 HA SER 2 -19.249 13.337 -14.362 14 HB2 SER 2 2HB SER 2 -19.714 10.985 -14.939 15 HB3 SER 2 1HB SER 2 -20.018 10.631 -13.242 16 HG SER 2 HG SER 2 -21.953 11.370 -13.536 17 H GLU 3 H GLU 3 -17.802 13.559 -11.713 18 HA GLU 3 HA GLU 3 -20.106 13.863 -9.923 19 HB2 GLU 3 2HB GLU 3 -17.201 13.411 -9.528 20 HB3 GLU 3 1HB GLU 3 -18.000 14.438 -8.338 21 HG2 GLU 3 2HG GLU 3 -17.994 11.941 -7.816 22 HG3 GLU 3 1HG GLU 3 -19.572 12.725 -7.775 23 HA PRO 4 HA PRO 4 -20.122 18.251 -10.279 24 HB2 PRO 4 2HB PRO 4 -20.672 18.995 -7.683 25 HB3 PRO 4 1HB PRO 4 -21.882 18.350 -8.807 26 HG2 PRO 4 2HG PRO 4 -20.398 16.967 -6.629 27 HG3 PRO 4 1HG PRO 4 -22.091 16.799 -7.127 28 HD2 PRO 4 2HD PRO 4 -20.196 14.988 -7.817 29 HD3 PRO 4 1HD PRO 4 -21.580 15.359 -8.866 30 H ALA 5 H ALA 5 -18.545 19.746 -10.389 31 HA ALA 5 HA ALA 5 -15.987 19.366 -9.322 32 HB1 ALA 5 1HB ALA 5 -17.287 21.272 -11.000 33 HB2 ALA 5 2HB ALA 5 -15.557 20.989 -10.802 34 HB3 ALA 5 3HB ALA 5 -16.387 22.151 -9.765 35 H SER 6 H SER 6 -18.736 20.141 -7.684 36 HA SER 6 HA SER 6 -18.028 22.170 -5.904 37 HB2 SER 6 2HB SER 6 -19.822 19.771 -5.651 38 HB3 SER 6 1HB SER 6 -19.564 20.854 -4.286 39 HG SER 6 HG SER 6 -21.294 21.643 -5.414 40 H LEU 7 H LEU 7 -17.357 18.676 -5.746 41 HA LEU 7 HA LEU 7 -16.271 18.525 -3.214 42 HB2 LEU 7 2HB LEU 7 -16.143 16.978 -5.692 43 HB3 LEU 7 1HB LEU 7 -14.674 16.852 -4.734 44 HG LEU 7 HG LEU 7 -16.396 15.124 -4.160 45 HD11 LEU 7 1HD1 LEU 7 -16.428 16.442 -1.622 46 HD12 LEU 7 2HD1 LEU 7 -14.897 16.825 -2.409 47 HD13 LEU 7 3HD1 LEU 7 -15.364 15.142 -2.156 48 HD21 LEU 7 3HD2 LEU 7 -18.531 15.683 -3.603 49 HD22 LEU 7 1HD2 LEU 7 -18.163 17.225 -4.378 50 HD23 LEU 7 2HD2 LEU 7 -18.009 17.059 -2.630 51 H LEU 8 H LEU 8 -14.579 19.262 -6.252 52 HA LEU 8 HA LEU 8 -12.074 19.749 -4.972 53 HB2 LEU 8 2HB LEU 8 -13.082 20.587 -7.696 54 HB3 LEU 8 1HB LEU 8 -11.405 20.687 -7.159 55 HG LEU 8 HG LEU 8 -12.566 18.041 -6.699 56 HD11 LEU 8 1HD1 LEU 8 -13.812 18.648 -8.761 57 HD12 LEU 8 2HD1 LEU 8 -12.633 17.371 -9.060 58 HD13 LEU 8 3HD1 LEU 8 -12.283 19.027 -9.555 59 HD21 LEU 8 3HD2 LEU 8 -10.457 17.342 -7.692 60 HD22 LEU 8 1HD2 LEU 8 -10.141 18.690 -6.599 61 HD23 LEU 8 2HD2 LEU 8 -10.185 18.959 -8.342 62 H THR 9 H THR 9 -14.825 21.714 -5.826 63 HA THR 9 HA THR 9 -13.616 24.252 -5.513 64 HB THR 9 HB THR 9 -16.513 23.708 -4.917 65 HG1 THR 9 1HG THR 9 -16.727 23.960 -7.252 66 HG21 THR 9 3HG2 THR 9 -15.629 26.005 -4.644 67 HG22 THR 9 1HG2 THR 9 -16.791 25.909 -5.968 68 HG23 THR 9 2HG2 THR 9 -15.062 25.975 -6.314 69 H ALA 10 H ALA 10 -14.595 21.887 -3.269 70 HA ALA 10 HA ALA 10 -14.485 23.812 -1.049 71 HB1 ALA 10 1HB ALA 10 -15.221 21.141 -0.246 72 HB2 ALA 10 2HB ALA 10 -16.251 21.698 -1.564 73 HB3 ALA 10 3HB ALA 10 -16.131 22.642 -0.079 74 H SER 11 H SER 11 -12.888 21.178 -2.500 75 HA SER 11 HA SER 11 -11.150 20.737 -0.188 76 HB2 SER 11 2HB SER 11 -12.079 18.845 -1.657 77 HB3 SER 11 1HB SER 11 -10.893 19.362 -2.851 78 HG SER 11 HG SER 11 -10.553 17.935 -0.574 79 H ASP 12 H ASP 12 -11.283 22.850 -2.680 80 HA ASP 12 HA ASP 12 -8.653 22.890 -3.699 81 HB2 ASP 12 2HB ASP 12 -10.999 24.415 -4.022 82 HB3 ASP 12 1HB ASP 12 -9.752 25.551 -3.511 83 H LEU 13 H LEU 13 -9.318 22.978 -0.596 84 HA LEU 13 HA LEU 13 -7.718 25.265 0.205 85 HB2 LEU 13 2HB LEU 13 -8.566 23.154 2.135 86 HB3 LEU 13 1HB LEU 13 -8.524 24.906 2.331 87 HG LEU 13 HG LEU 13 -10.528 23.323 0.701 88 HD11 LEU 13 1HD1 LEU 13 -11.373 25.195 2.827 89 HD12 LEU 13 2HD1 LEU 13 -10.512 23.763 3.390 90 HD13 LEU 13 3HD1 LEU 13 -11.982 23.587 2.434 91 HD21 LEU 13 3HD2 LEU 13 -10.461 25.262 -0.544 92 HD22 LEU 13 1HD2 LEU 13 -9.795 26.211 0.787 93 HD23 LEU 13 2HD2 LEU 13 -11.516 25.829 0.750 94 H ASP 14 H ASP 14 -7.412 21.815 -0.213 95 HA ASP 14 HA ASP 14 -4.564 21.937 -0.118 96 HB2 ASP 14 2HB ASP 14 -4.954 22.057 2.287 97 HB3 ASP 14 1HB ASP 14 -5.941 20.600 2.216 98 HA PRO 15 HA PRO 15 -6.361 18.277 -2.269 99 HB2 PRO 15 2HB PRO 15 -5.261 18.785 -4.711 100 HB3 PRO 15 1HB PRO 15 -6.801 19.473 -4.177 101 HG2 PRO 15 2HG PRO 15 -4.164 20.749 -4.452 102 HG3 PRO 15 1HG PRO 15 -5.784 21.461 -4.535 103 HD2 PRO 15 2HD PRO 15 -4.010 21.556 -2.331 104 HD3 PRO 15 1HD PRO 15 -5.713 22.053 -2.343 105 H LEU 16 H LEU 16 -3.256 19.432 -1.561 106 HA LEU 16 HA LEU 16 -1.639 17.496 -2.831 107 HB2 LEU 16 2HB LEU 16 -1.262 19.684 -1.052 108 HB3 LEU 16 1HB LEU 16 -0.507 18.275 -0.308 109 HG LEU 16 HG LEU 16 1.094 19.449 -1.759 110 HD11 LEU 16 1HD1 LEU 16 0.596 17.101 -3.456 111 HD12 LEU 16 2HD1 LEU 16 0.555 16.741 -1.730 112 HD13 LEU 16 3HD1 LEU 16 1.990 17.477 -2.442 113 HD21 LEU 16 3HD2 LEU 16 0.510 20.266 -3.788 114 HD22 LEU 16 1HD2 LEU 16 -1.151 19.826 -3.391 115 HD23 LEU 16 2HD2 LEU 16 -0.135 18.706 -4.296 116 H ILE 17 H ILE 17 -3.427 17.494 0.178 117 HA ILE 17 HA ILE 17 -2.248 15.123 1.245 118 HB ILE 17 HB ILE 17 -3.603 16.934 2.480 119 HG12 ILE 17 2HG1 ILE 17 -4.791 14.856 3.782 120 HG13 ILE 17 1HG1 ILE 17 -3.586 13.991 2.829 121 HG21 ILE 17 1HG2 ILE 17 -5.546 16.617 0.804 122 HG22 ILE 17 2HG2 ILE 17 -5.962 16.744 2.512 123 HG23 ILE 17 3HG2 ILE 17 -5.932 15.165 1.729 124 HD11 ILE 17 3HD1 ILE 17 -3.130 16.192 4.848 125 HD12 ILE 17 1HD1 ILE 17 -1.896 15.724 3.678 126 HD13 ILE 17 2HD1 ILE 17 -2.480 14.553 4.860 127 H LEU 18 H LEU 18 -5.052 15.792 -0.793 128 HA LEU 18 HA LEU 18 -6.151 13.175 -0.729 129 HB2 LEU 18 2HB LEU 18 -6.444 15.555 -2.534 130 HB3 LEU 18 1HB LEU 18 -7.144 14.005 -3.005 131 HG LEU 18 HG LEU 18 -7.636 14.971 -0.219 132 HD11 LEU 18 1HD1 LEU 18 -8.688 16.223 -2.731 133 HD12 LEU 18 2HD1 LEU 18 -8.276 16.980 -1.191 134 HD13 LEU 18 3HD1 LEU 18 -9.772 16.058 -1.349 135 HD21 LEU 18 3HD2 LEU 18 -9.624 13.686 -0.444 136 HD22 LEU 18 1HD2 LEU 18 -8.391 12.741 -1.280 137 HD23 LEU 18 2HD2 LEU 18 -9.536 13.713 -2.206 138 H THR 19 H THR 19 -3.883 14.782 -2.928 139 HA THR 19 HA THR 19 -3.668 12.707 -4.814 140 HB THR 19 HB THR 19 -1.482 14.636 -4.005 141 HG1 THR 19 1HG THR 19 -2.759 16.104 -4.741 142 HG21 THR 19 3HG2 THR 19 -0.629 12.983 -5.499 143 HG22 THR 19 1HG2 THR 19 -0.973 14.397 -6.493 144 HG23 THR 19 2HG2 THR 19 -2.085 13.028 -6.494 145 H LEU 20 H LEU 20 -1.745 13.411 -1.902 146 HA LEU 20 HA LEU 20 0.015 11.203 -2.190 147 HB2 LEU 20 2HB LEU 20 -0.553 13.262 -0.185 148 HB3 LEU 20 1HB LEU 20 -0.076 11.718 0.521 149 HG LEU 20 HG LEU 20 1.922 11.671 -0.935 150 HD11 LEU 20 1HD1 LEU 20 2.051 14.366 -1.793 151 HD12 LEU 20 2HD1 LEU 20 0.462 13.771 -2.275 152 HD13 LEU 20 3HD1 LEU 20 1.918 12.928 -2.804 153 HD21 LEU 20 3HD2 LEU 20 1.848 14.380 0.385 154 HD22 LEU 20 1HD2 LEU 20 3.174 13.221 0.321 155 HD23 LEU 20 2HD2 LEU 20 1.778 12.907 1.352 156 H SER 21 H SER 21 -3.085 11.644 -0.560 157 HA SER 21 HA SER 21 -3.093 9.147 0.803 158 HB2 SER 21 2HB SER 21 -5.410 10.882 -0.084 159 HB3 SER 21 1HB SER 21 -5.512 9.552 1.065 160 HG SER 21 HG SER 21 -5.254 11.632 2.055 161 H LEU 22 H LEU 22 -4.560 10.217 -2.263 162 HA LEU 22 HA LEU 22 -5.805 7.824 -2.970 163 HB2 LEU 22 2HB LEU 22 -5.097 10.302 -4.274 164 HB3 LEU 22 1HB LEU 22 -4.840 8.938 -5.361 165 HG LEU 22 HG LEU 22 -7.139 8.130 -4.854 166 HD11 LEU 22 1HD1 LEU 22 -6.891 10.077 -2.757 167 HD12 LEU 22 2HD1 LEU 22 -8.195 8.923 -3.030 168 HD13 LEU 22 3HD1 LEU 22 -8.259 10.517 -3.778 169 HD21 LEU 22 3HD2 LEU 22 -6.761 10.940 -5.904 170 HD22 LEU 22 1HD2 LEU 22 -8.328 10.131 -5.944 171 HD23 LEU 22 2HD2 LEU 22 -6.961 9.449 -6.826 172 H ILE 23 H ILE 23 -2.491 8.925 -3.622 173 HA ILE 23 HA ILE 23 -1.639 6.814 -5.226 174 HB ILE 23 HB ILE 23 -0.267 8.684 -3.331 175 HG12 ILE 23 2HG1 ILE 23 0.198 8.064 -6.262 176 HG13 ILE 23 1HG1 ILE 23 -0.957 9.273 -5.702 177 HG21 ILE 23 1HG2 ILE 23 1.908 7.592 -4.190 178 HG22 ILE 23 2HG2 ILE 23 0.903 6.200 -4.587 179 HG23 ILE 23 3HG2 ILE 23 1.037 6.739 -2.914 180 HD11 ILE 23 3HD1 ILE 23 1.244 10.282 -6.267 181 HD12 ILE 23 1HD1 ILE 23 2.003 9.266 -5.041 182 HD13 ILE 23 2HD1 ILE 23 0.835 10.499 -4.566 183 H LEU 24 H LEU 24 -1.059 7.124 -1.702 184 HA LEU 24 HA LEU 24 -0.104 4.528 -1.303 185 HB2 LEU 24 2HB LEU 24 0.143 6.272 0.386 186 HB3 LEU 24 1HB LEU 24 -1.607 6.352 0.595 187 HG LEU 24 HG LEU 24 -0.538 3.634 0.874 188 HD11 LEU 24 1HD1 LEU 24 0.478 4.018 3.080 189 HD12 LEU 24 2HD1 LEU 24 0.247 5.756 2.894 190 HD13 LEU 24 3HD1 LEU 24 1.362 4.895 1.832 191 HD21 LEU 24 3HD2 LEU 24 -2.116 5.352 2.804 192 HD22 LEU 24 1HD2 LEU 24 -2.078 3.592 2.718 193 HD23 LEU 24 2HD2 LEU 24 -2.856 4.522 1.437 194 H VAL 25 H VAL 25 -3.377 5.772 -1.385 195 HA VAL 25 HA VAL 25 -4.670 3.458 -0.373 196 HB VAL 25 HB VAL 25 -5.642 5.660 -2.191 197 HG11 VAL 25 1HG1 VAL 25 -6.924 3.146 -1.286 198 HG12 VAL 25 2HG1 VAL 25 -7.274 4.145 -2.695 199 HG13 VAL 25 3HG1 VAL 25 -7.893 4.609 -1.111 200 HG21 VAL 25 3HG2 VAL 25 -6.162 6.777 -0.279 201 HG22 VAL 25 1HG2 VAL 25 -5.022 5.678 0.497 202 HG23 VAL 25 2HG2 VAL 25 -6.747 5.314 0.515 203 H LEU 26 H LEU 26 -4.001 4.529 -3.700 204 HA LEU 26 HA LEU 26 -5.178 2.311 -4.989 205 HB2 LEU 26 2HB LEU 26 -3.498 4.589 -5.724 206 HB3 LEU 26 1HB LEU 26 -3.146 3.145 -6.675 207 HG LEU 26 HG LEU 26 -5.960 4.162 -6.214 208 HD11 LEU 26 1HD1 LEU 26 -5.389 5.880 -7.577 209 HD12 LEU 26 2HD1 LEU 26 -5.334 4.669 -8.858 210 HD13 LEU 26 3HD1 LEU 26 -3.854 5.129 -8.017 211 HD21 LEU 26 3HD2 LEU 26 -5.424 2.700 -8.660 212 HD22 LEU 26 1HD2 LEU 26 -6.578 2.334 -7.378 213 HD23 LEU 26 2HD2 LEU 26 -4.913 1.762 -7.256 214 H ILE 27 H ILE 27 -1.872 2.939 -3.875 215 HA ILE 27 HA ILE 27 -0.731 0.566 -4.941 216 HB ILE 27 HB ILE 27 0.130 2.328 -2.637 217 HG12 ILE 27 2HG1 ILE 27 1.197 2.103 -5.468 218 HG13 ILE 27 1HG1 ILE 27 0.030 3.323 -4.960 219 HG21 ILE 27 1HG2 ILE 27 1.166 -0.228 -3.676 220 HG22 ILE 27 2HG2 ILE 27 1.498 0.580 -2.145 221 HG23 ILE 27 3HG2 ILE 27 2.378 1.052 -3.596 222 HD11 ILE 27 3HD1 ILE 27 2.811 2.929 -3.816 223 HD12 ILE 27 1HD1 ILE 27 1.638 4.109 -3.234 224 HD13 ILE 27 2HD1 ILE 27 2.297 4.251 -4.864 225 H SER 28 H SER 28 -1.956 1.396 -1.700 226 HA SER 28 HA SER 28 -1.403 -1.015 -0.416 227 HB2 SER 28 2HB SER 28 -2.191 0.508 1.097 228 HB3 SER 28 1HB SER 28 -3.363 1.179 -0.035 229 HG SER 28 HG SER 28 -3.734 -0.645 1.870 230 H LEU 29 H LEU 29 -4.260 -0.098 -2.301 231 HA LEU 29 HA LEU 29 -5.726 -2.451 -1.909 232 HB2 LEU 29 2HB LEU 29 -5.856 -0.126 -3.642 233 HB3 LEU 29 1HB LEU 29 -6.315 -1.585 -4.517 234 HG LEU 29 HG LEU 29 -8.265 -0.514 -3.412 235 HD11 LEU 29 1HD1 LEU 29 -7.533 -3.209 -3.371 236 HD12 LEU 29 2HD1 LEU 29 -9.153 -2.571 -3.086 237 HD13 LEU 29 3HD1 LEU 29 -8.078 -2.890 -1.725 238 HD21 LEU 29 3HD2 LEU 29 -7.427 -1.347 -0.711 239 HD22 LEU 29 1HD2 LEU 29 -8.238 0.131 -1.229 240 HD23 LEU 29 2HD2 LEU 29 -6.485 -0.009 -1.369 241 H LEU 30 H LEU 30 -3.431 -1.595 -4.475 242 HA LEU 30 HA LEU 30 -3.656 -4.023 -5.914 243 HB2 LEU 30 2HB LEU 30 -2.586 -1.810 -6.658 244 HB3 LEU 30 1HB LEU 30 -1.161 -2.345 -5.763 245 HG LEU 30 HG LEU 30 -1.589 -4.587 -7.147 246 HD11 LEU 30 1HD1 LEU 30 -2.538 -4.236 -9.298 247 HD12 LEU 30 2HD1 LEU 30 -2.522 -2.484 -9.105 248 HD13 LEU 30 3HD1 LEU 30 -3.661 -3.460 -8.180 249 HD21 LEU 30 3HD2 LEU 30 0.510 -3.702 -7.502 250 HD22 LEU 30 1HD2 LEU 30 -0.104 -2.075 -7.792 251 HD23 LEU 30 2HD2 LEU 30 -0.210 -3.296 -9.059 252 H LEU 31 H LEU 31 -1.457 -2.988 -3.321 253 HA LEU 31 HA LEU 31 0.218 -5.224 -3.303 254 HB2 LEU 31 2HB LEU 31 0.167 -2.912 -1.921 255 HB3 LEU 31 1HB LEU 31 -0.483 -3.998 -0.694 256 HG LEU 31 HG LEU 31 2.114 -4.393 -2.215 257 HD11 LEU 31 1HD1 LEU 31 2.853 -4.275 0.348 258 HD12 LEU 31 2HD1 LEU 31 1.404 -3.278 0.465 259 HD13 LEU 31 3HD1 LEU 31 2.704 -2.821 -0.635 260 HD21 LEU 31 3HD2 LEU 31 0.531 -6.082 -0.306 261 HD22 LEU 31 1HD2 LEU 31 2.292 -6.187 -0.291 262 HD23 LEU 31 2HD2 LEU 31 1.397 -6.562 -1.764 263 H THR 32 H THR 32 -2.886 -4.632 -1.702 264 HA THR 32 HA THR 32 -2.937 -6.998 -0.152 265 HB THR 32 HB THR 32 -5.053 -5.119 -1.171 266 HG1 THR 32 1HG THR 32 -4.131 -4.329 0.594 267 HG21 THR 32 3HG2 THR 32 -6.277 -7.132 -1.208 268 HG22 THR 32 1HG2 THR 32 -6.575 -6.499 0.412 269 HG23 THR 32 2HG2 THR 32 -5.401 -7.792 0.174 270 H VAL 33 H VAL 33 -4.328 -6.233 -3.344 271 HA VAL 33 HA VAL 33 -5.539 -8.687 -3.870 272 HB VAL 33 HB VAL 33 -4.232 -6.700 -5.737 273 HG11 VAL 33 1HG1 VAL 33 -4.298 -8.473 -7.188 274 HG12 VAL 33 2HG1 VAL 33 -6.001 -8.029 -7.291 275 HG13 VAL 33 3HG1 VAL 33 -5.495 -9.346 -6.232 276 HG21 VAL 33 3HG2 VAL 33 -7.163 -7.290 -5.265 277 HG22 VAL 33 1HG2 VAL 33 -6.457 -5.891 -6.074 278 HG23 VAL 33 2HG2 VAL 33 -6.282 -6.081 -4.330 279 H LEU 34 H LEU 34 -2.202 -7.639 -4.517 280 HA LEU 34 HA LEU 34 -1.307 -9.942 -5.849 281 HB2 LEU 34 2HB LEU 34 0.073 -7.936 -4.093 282 HB3 LEU 34 1HB LEU 34 0.958 -9.248 -4.870 283 HG LEU 34 HG LEU 34 -0.876 -7.633 -6.590 284 HD11 LEU 34 1HD1 LEU 34 0.150 -5.762 -5.623 285 HD12 LEU 34 2HD1 LEU 34 1.233 -6.118 -6.968 286 HD13 LEU 34 3HD1 LEU 34 1.662 -6.618 -5.333 287 HD21 LEU 34 3HD2 LEU 34 0.780 -8.153 -8.270 288 HD22 LEU 34 1HD2 LEU 34 0.496 -9.629 -7.346 289 HD23 LEU 34 2HD2 LEU 34 1.941 -8.664 -7.045 290 H ALA 35 H ALA 35 -1.134 -9.143 -2.372 291 HA ALA 35 HA ALA 35 0.013 -11.598 -1.562 292 HB1 ALA 35 1HB ALA 35 -0.594 -10.951 0.681 293 HB2 ALA 35 2HB ALA 35 -1.797 -9.811 0.077 294 HB3 ALA 35 3HB ALA 35 -0.080 -9.503 -0.184 295 H LEU 36 H LEU 36 -3.270 -10.587 -2.167 296 HA LEU 36 HA LEU 36 -4.539 -12.844 -0.926 297 HB2 LEU 36 2HB LEU 36 -5.376 -10.455 -2.223 298 HB3 LEU 36 1HB LEU 36 -6.160 -11.808 -3.039 299 HG LEU 36 HG LEU 36 -6.142 -11.377 -0.036 300 HD11 LEU 36 1HD1 LEU 36 -8.004 -10.557 -2.220 301 HD12 LEU 36 2HD1 LEU 36 -7.637 -9.752 -0.695 302 HD13 LEU 36 3HD1 LEU 36 -8.721 -11.143 -0.720 303 HD21 LEU 36 3HD2 LEU 36 -6.715 -13.652 -1.695 304 HD22 LEU 36 1HD2 LEU 36 -8.216 -13.102 -0.950 305 HD23 LEU 36 2HD2 LEU 36 -6.831 -13.519 0.059 306 H LEU 37 H LEU 37 -3.852 -12.024 -4.323 307 HA LEU 37 HA LEU 37 -4.822 -14.376 -5.474 308 HB2 LEU 37 2HB LEU 37 -3.069 -12.164 -6.276 309 HB3 LEU 37 1HB LEU 37 -2.675 -13.685 -7.076 310 HG LEU 37 HG LEU 37 -4.376 -12.314 -8.314 311 HD11 LEU 37 1HD1 LEU 37 -6.099 -14.530 -7.697 312 HD12 LEU 37 2HD1 LEU 37 -4.427 -15.088 -7.673 313 HD13 LEU 37 3HD1 LEU 37 -5.074 -14.301 -9.114 314 HD21 LEU 37 3HD2 LEU 37 -5.423 -11.866 -5.803 315 HD22 LEU 37 1HD2 LEU 37 -6.530 -13.075 -6.452 316 HD23 LEU 37 2HD2 LEU 37 -6.277 -11.558 -7.315 317 H SER 38 H SER 38 -1.587 -13.604 -4.248 318 HA SER 38 HA SER 38 -0.284 -15.966 -4.988 319 HB2 SER 38 2HB SER 38 0.108 -13.994 -2.761 320 HB3 SER 38 1HB SER 38 1.080 -15.461 -2.817 321 HG SER 38 HG SER 38 0.915 -13.336 -4.663 322 H HIS 39 H HIS 39 -2.062 -15.205 -1.993 323 HA HIS 39 HA HIS 39 -1.657 -17.633 -0.667 324 HB2 HIS 39 2HB HIS 39 -3.257 -15.300 -0.315 325 HB3 HIS 39 1HB HIS 39 -4.299 -16.710 -0.115 326 HD2 HIS 39 2HD HIS 39 -2.312 -18.746 1.457 327 HE1 HIS 39 1HE HIS 39 -1.635 -15.564 4.147 328 HE2 HIS 39 2HE HIS 39 -1.429 -18.074 3.819 329 H ARG 40 H ARG 40 -4.302 -16.655 -2.843 330 HA ARG 40 HA ARG 40 -5.772 -19.044 -2.736 331 HB2 ARG 40 2HB ARG 40 -6.412 -16.785 -3.797 332 HB3 ARG 40 1HB ARG 40 -5.542 -17.357 -5.220 333 HG2 ARG 40 2HG ARG 40 -6.996 -19.526 -4.883 334 HG3 ARG 40 1HG ARG 40 -8.049 -18.440 -3.975 335 HD2 ARG 40 2HD ARG 40 -8.846 -18.386 -6.225 336 HD3 ARG 40 1HD ARG 40 -7.965 -16.880 -5.987 337 HE ARG 40 HE ARG 40 -6.395 -17.612 -7.538 338 HH11 ARG 40 1HH2 ARG 40 -8.400 -20.216 -6.457 339 HH12 ARG 40 2HH2 ARG 40 -7.794 -21.349 -7.618 340 HH21 ARG 40 1HH1 ARG 40 -5.594 -19.091 -9.064 341 HH22 ARG 40 2HH1 ARG 40 -6.205 -20.711 -9.094 342 H ARG 41 H ARG 41 -3.063 -18.073 -4.798 343 HA ARG 41 HA ARG 41 -3.111 -20.355 -6.486 344 HB2 ARG 41 2HB ARG 41 -1.913 -18.181 -6.948 345 HB3 ARG 41 1HB ARG 41 -0.690 -18.687 -5.781 346 HG2 ARG 41 2HG ARG 41 -0.263 -20.724 -7.096 347 HG3 ARG 41 1HG ARG 41 -1.497 -20.238 -8.260 348 HD2 ARG 41 2HD ARG 41 0.056 -19.049 -9.363 349 HD3 ARG 41 1HD ARG 41 0.232 -18.017 -7.946 350 HE ARG 41 HE ARG 41 1.753 -20.276 -7.426 351 HH11 ARG 41 1HH2 ARG 41 1.580 -17.787 -9.824 352 HH12 ARG 41 2HH2 ARG 41 3.274 -17.818 -10.180 353 HH21 ARG 41 1HH1 ARG 41 3.978 -20.322 -7.885 354 HH22 ARG 41 2HH1 ARG 41 4.633 -19.253 -9.081 355 H THR 42 H THR 42 -1.547 -19.648 -3.407 356 HA THR 42 HA THR 42 0.194 -21.849 -3.285 357 HB THR 42 HB THR 42 -1.250 -20.629 -0.928 358 HG1 THR 42 1HG THR 42 -0.320 -19.037 -2.307 359 HG21 THR 42 3HG2 THR 42 0.175 -22.688 -0.612 360 HG22 THR 42 1HG2 THR 42 0.719 -21.279 0.300 361 HG23 THR 42 2HG2 THR 42 1.551 -21.745 -1.185 362 H LEU 43 H LEU 43 -3.160 -21.496 -2.139 363 HA LEU 43 HA LEU 43 -3.404 -24.129 -1.115 364 HB2 LEU 43 2HB LEU 43 -5.191 -21.863 -1.694 365 HB3 LEU 43 1HB LEU 43 -5.959 -23.442 -1.834 366 HG LEU 43 HG LEU 43 -4.245 -22.791 0.560 367 HD11 LEU 43 1HD1 LEU 43 -6.745 -22.395 1.504 368 HD12 LEU 43 2HD1 LEU 43 -6.932 -21.738 -0.122 369 HD13 LEU 43 3HD1 LEU 43 -5.702 -21.082 0.959 370 HD21 LEU 43 3HD2 LEU 43 -5.366 -25.107 -0.248 371 HD22 LEU 43 1HD2 LEU 43 -6.737 -24.428 0.628 372 HD23 LEU 43 2HD2 LEU 43 -5.202 -24.686 1.456 373 H GLN 44 H GLN 44 -4.044 -22.727 -4.293 374 HA GLN 44 HA GLN 44 -5.317 -24.953 -5.448 375 HB2 GLN 44 2HB GLN 44 -4.601 -22.421 -6.294 376 HB3 GLN 44 1HB GLN 44 -3.583 -23.469 -7.281 377 HG2 GLN 44 2HG GLN 44 -6.597 -23.623 -6.995 378 HG3 GLN 44 1HG GLN 44 -5.700 -23.125 -8.429 379 HE21 GLN 44 1HE2 GLN 44 -7.243 -25.776 -7.041 380 HE22 GLN 44 2HE2 GLN 44 -6.462 -27.010 -7.906 381 H GLN 45 H GLN 45 -1.884 -24.037 -5.319 382 HA GLN 45 HA GLN 45 -0.910 -26.195 -6.857 383 HB2 GLN 45 2HB GLN 45 0.185 -23.967 -5.581 384 HB3 GLN 45 1HB GLN 45 0.927 -25.347 -4.770 385 HG2 GLN 45 2HG GLN 45 1.624 -26.278 -6.922 386 HG3 GLN 45 1HG GLN 45 0.820 -24.964 -7.778 387 HE21 GLN 45 1HE2 GLN 45 2.725 -24.014 -8.683 388 HE22 GLN 45 2HE2 GLN 45 3.932 -23.300 -7.729 389 H LYS 46 H LYS 46 -1.342 -25.792 -3.357 390 HA LYS 46 HA LYS 46 -0.229 -28.245 -2.563 391 HB2 LYS 46 2HB LYS 46 -1.287 -26.104 -1.248 392 HB3 LYS 46 1HB LYS 46 -2.558 -27.303 -1.013 393 HG2 LYS 46 2HG LYS 46 -0.926 -28.896 -0.112 394 HG3 LYS 46 1HG LYS 46 0.380 -27.744 -0.392 395 HD2 LYS 46 2HD LYS 46 -0.595 -26.176 1.184 396 HD3 LYS 46 1HD LYS 46 -2.005 -27.216 1.400 397 HE2 LYS 46 2HE LYS 46 0.774 -28.254 1.937 398 HE3 LYS 46 1HE LYS 46 -0.104 -27.349 3.169 399 HZ1 LYS 46 3HZ LYS 46 -1.486 -29.538 1.801 400 HZ2 LYS 46 1HZ LYS 46 -1.665 -28.974 3.389 401 HZ3 LYS 46 2HZ LYS 46 -0.326 -29.935 2.977 402 H ILE 47 H ILE 47 -3.469 -27.398 -3.662 403 HA ILE 47 HA ILE 47 -4.631 -29.938 -3.066 404 HB ILE 47 HB ILE 47 -5.475 -27.678 -4.886 405 HG12 ILE 47 2HG1 ILE 47 -5.450 -27.651 -2.231 406 HG13 ILE 47 1HG1 ILE 47 -6.810 -26.974 -3.125 407 HG21 ILE 47 1HG2 ILE 47 -6.502 -29.563 -5.871 408 HG22 ILE 47 2HG2 ILE 47 -7.731 -28.949 -4.767 409 HG23 ILE 47 3HG2 ILE 47 -6.761 -30.350 -4.315 410 HD11 ILE 47 3HD1 ILE 47 -8.178 -28.851 -2.709 411 HD12 ILE 47 1HD1 ILE 47 -7.335 -28.614 -1.180 412 HD13 ILE 47 2HD1 ILE 47 -6.809 -29.879 -2.290 413 H TRP 48 H TRP 48 -2.963 -28.572 -5.826 414 HA TRP 48 HA TRP 48 -2.816 -31.244 -7.013 415 HB2 TRP 48 2HB TRP 48 -4.242 -28.928 -8.180 416 HB3 TRP 48 1HB TRP 48 -3.195 -29.830 -9.276 417 HD1 TRP 48 HD TRP 48 -6.606 -29.823 -8.176 418 HE1 TRP 48 1HE TRP 48 -7.720 -32.132 -8.442 419 HE3 TRP 48 3HE TRP 48 -2.461 -32.730 -8.844 420 HZ2 TRP 48 2HZ TRP 48 -6.954 -34.851 -8.887 421 HZ3 TRP 48 3HZ TRP 48 -2.682 -35.173 -9.189 422 HH2 TRP 48 HH TRP 48 -4.921 -36.238 -9.212 423 HA PRO 49 HA PRO 49 1.128 -28.855 -7.295 424 HB2 PRO 49 2HB PRO 49 2.701 -30.653 -5.988 425 HB3 PRO 49 1HB PRO 49 1.758 -29.408 -5.151 426 HG2 PRO 49 2HG PRO 49 1.265 -32.308 -5.390 427 HG3 PRO 49 1HG PRO 49 0.823 -31.185 -4.094 428 HD2 PRO 49 2HD PRO 49 -0.892 -32.158 -6.106 429 HD3 PRO 49 1HD PRO 49 -1.227 -30.805 -5.007 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -19.121 36.335 5.051 2 H2 MET 1 2HT MET 1 -18.581 35.598 3.617 3 H3 MET 1 3HT MET 1 -19.135 37.203 3.594 4 HA MET 1 HA MET 1 -17.280 37.831 5.076 5 HB2 MET 1 2HB MET 1 -16.356 35.016 4.427 6 HB3 MET 1 1HB MET 1 -15.453 36.217 5.348 7 HG2 MET 1 2HG MET 1 -16.424 35.116 7.114 8 HG3 MET 1 1HG MET 1 -17.736 36.241 6.767 9 HE1 MET 1 2HE MET 1 -20.139 34.591 7.376 10 HE2 MET 1 3HE MET 1 -18.641 34.602 8.304 11 HE3 MET 1 1HE MET 1 -19.411 33.068 7.878 12 H SER 2 H SER 2 -14.806 37.563 4.026 13 HA SER 2 HA SER 2 -15.141 37.844 1.102 14 HB2 SER 2 2HB SER 2 -14.272 39.938 1.066 15 HB3 SER 2 1HB SER 2 -14.805 39.993 2.743 16 HG SER 2 HG SER 2 -12.680 40.507 2.800 17 H GLU 3 H GLU 3 -13.851 36.000 3.364 18 HA GLU 3 HA GLU 3 -11.105 35.912 2.537 19 HB2 GLU 3 2HB GLU 3 -12.819 34.440 4.459 20 HB3 GLU 3 1HB GLU 3 -11.424 33.565 3.824 21 HG2 GLU 3 2HG GLU 3 -9.894 35.171 4.643 22 HG3 GLU 3 1HG GLU 3 -11.158 36.377 4.879 23 HA PRO 4 HA PRO 4 -11.489 33.189 -0.925 24 HB2 PRO 4 2HB PRO 4 -9.190 31.702 -0.686 25 HB3 PRO 4 1HB PRO 4 -9.223 33.379 -1.264 26 HG2 PRO 4 2HG PRO 4 -8.527 32.319 1.430 27 HG3 PRO 4 1HG PRO 4 -7.786 33.637 0.505 28 HD2 PRO 4 2HD PRO 4 -9.524 34.080 2.554 29 HD3 PRO 4 1HD PRO 4 -9.373 35.176 1.165 30 H ALA 5 H ALA 5 -12.562 31.324 -1.330 31 HA ALA 5 HA ALA 5 -13.417 29.629 0.758 32 HB1 ALA 5 1HB ALA 5 -13.677 28.225 -1.680 33 HB2 ALA 5 2HB ALA 5 -13.912 29.932 -2.057 34 HB3 ALA 5 3HB ALA 5 -14.917 29.154 -0.835 35 H SER 6 H SER 6 -10.450 29.815 -0.684 36 HA SER 6 HA SER 6 -9.775 27.033 -0.865 37 HB2 SER 6 2HB SER 6 -7.571 27.758 -1.329 38 HB3 SER 6 1HB SER 6 -8.609 28.993 -2.038 39 HG SER 6 HG SER 6 -8.351 29.988 0.186 40 H LEU 7 H LEU 7 -9.833 29.408 1.670 41 HA LEU 7 HA LEU 7 -8.008 28.284 3.478 42 HB2 LEU 7 2HB LEU 7 -9.928 30.367 3.485 43 HB3 LEU 7 1HB LEU 7 -10.266 29.353 4.887 44 HG LEU 7 HG LEU 7 -7.530 30.453 4.172 45 HD11 LEU 7 1HD1 LEU 7 -8.890 32.301 4.849 46 HD12 LEU 7 2HD1 LEU 7 -7.938 31.845 6.262 47 HD13 LEU 7 3HD1 LEU 7 -9.632 31.366 6.147 48 HD21 LEU 7 3HD2 LEU 7 -7.529 29.771 6.840 49 HD22 LEU 7 1HD2 LEU 7 -6.894 28.755 5.547 50 HD23 LEU 7 2HD2 LEU 7 -8.534 28.500 6.146 51 H LEU 8 H LEU 8 -11.461 27.642 2.991 52 HA LEU 8 HA LEU 8 -11.575 25.676 5.088 53 HB2 LEU 8 2HB LEU 8 -13.434 27.029 3.351 54 HB3 LEU 8 1HB LEU 8 -13.746 25.292 3.337 55 HG LEU 8 HG LEU 8 -13.402 26.936 5.862 56 HD11 LEU 8 1HD1 LEU 8 -15.832 26.789 6.095 57 HD12 LEU 8 2HD1 LEU 8 -15.943 25.891 4.580 58 HD13 LEU 8 3HD1 LEU 8 -15.431 27.578 4.570 59 HD21 LEU 8 3HD2 LEU 8 -13.313 24.927 6.879 60 HD22 LEU 8 1HD2 LEU 8 -13.430 24.117 5.316 61 HD23 LEU 8 2HD2 LEU 8 -14.894 24.528 6.209 62 H THR 9 H THR 9 -11.393 25.618 1.569 63 HA THR 9 HA THR 9 -11.642 22.851 1.193 64 HB THR 9 HB THR 9 -9.797 24.467 -0.526 65 HG1 THR 9 1HG THR 9 -12.379 25.056 0.136 66 HG21 THR 9 3HG2 THR 9 -10.499 21.995 -0.872 67 HG22 THR 9 1HG2 THR 9 -10.617 23.087 -2.251 68 HG23 THR 9 2HG2 THR 9 -12.064 22.658 -1.342 69 H ALA 10 H ALA 10 -9.059 24.730 2.434 70 HA ALA 10 HA ALA 10 -7.211 22.436 2.266 71 HB1 ALA 10 1HB ALA 10 -6.752 25.394 2.610 72 HB2 ALA 10 2HB ALA 10 -6.134 24.327 1.350 73 HB3 ALA 10 3HB ALA 10 -5.502 24.212 2.993 74 H SER 11 H SER 11 -9.493 23.313 4.251 75 HA SER 11 HA SER 11 -8.468 23.826 6.759 76 HB2 SER 11 2HB SER 11 -10.897 23.653 6.154 77 HB3 SER 11 1HB SER 11 -10.725 21.902 6.208 78 HG SER 11 HG SER 11 -9.747 23.338 8.377 79 H ASP 12 H ASP 12 -9.360 20.588 5.700 80 HA ASP 12 HA ASP 12 -6.913 19.507 6.905 81 HB2 ASP 12 2HB ASP 12 -8.712 19.473 8.646 82 HB3 ASP 12 1HB ASP 12 -9.644 18.413 7.594 83 H LEU 13 H LEU 13 -8.251 19.811 4.189 84 HA LEU 13 HA LEU 13 -7.742 17.048 3.326 85 HB2 LEU 13 2HB LEU 13 -9.739 17.196 1.799 86 HB3 LEU 13 1HB LEU 13 -10.135 17.086 3.515 87 HG LEU 13 HG LEU 13 -9.764 19.835 2.474 88 HD11 LEU 13 1HD1 LEU 13 -10.957 19.034 0.573 89 HD12 LEU 13 2HD1 LEU 13 -12.184 19.759 1.613 90 HD13 LEU 13 3HD1 LEU 13 -11.994 18.006 1.562 91 HD21 LEU 13 3HD2 LEU 13 -11.959 18.529 4.113 92 HD22 LEU 13 1HD2 LEU 13 -11.651 20.257 3.955 93 HD23 LEU 13 2HD2 LEU 13 -10.493 19.229 4.798 94 H ASP 14 H ASP 14 -6.117 19.367 3.134 95 HA ASP 14 HA ASP 14 -6.272 20.795 0.761 96 HB2 ASP 14 2HB ASP 14 -3.538 20.236 1.144 97 HB3 ASP 14 1HB ASP 14 -4.427 21.656 1.693 98 HA PRO 15 HA PRO 15 -5.451 18.025 -2.547 99 HB2 PRO 15 2HB PRO 15 -3.659 19.438 -4.086 100 HB3 PRO 15 1HB PRO 15 -5.398 19.785 -4.016 101 HG2 PRO 15 2HG PRO 15 -3.141 21.134 -2.622 102 HG3 PRO 15 1HG PRO 15 -4.591 21.834 -3.362 103 HD2 PRO 15 2HD PRO 15 -4.353 21.495 -0.681 104 HD3 PRO 15 1HD PRO 15 -5.918 21.384 -1.516 105 H LEU 16 H LEU 16 -2.665 19.326 -0.856 106 HA LEU 16 HA LEU 16 -0.670 17.671 -1.924 107 HB2 LEU 16 2HB LEU 16 -0.960 19.491 0.317 108 HB3 LEU 16 1HB LEU 16 -0.010 18.081 0.777 109 HG LEU 16 HG LEU 16 1.406 19.904 -0.146 110 HD11 LEU 16 1HD1 LEU 16 1.773 18.053 -2.334 111 HD12 LEU 16 2HD1 LEU 16 1.391 17.168 -0.858 112 HD13 LEU 16 3HD1 LEU 16 2.767 18.269 -0.894 113 HD21 LEU 16 3HD2 LEU 16 -0.699 20.165 -1.974 114 HD22 LEU 16 1HD2 LEU 16 0.624 19.490 -2.926 115 HD23 LEU 16 2HD2 LEU 16 0.853 21.001 -2.047 116 H ILE 17 H ILE 17 -2.585 17.248 1.042 117 HA ILE 17 HA ILE 17 -1.561 14.678 1.651 118 HB ILE 17 HB ILE 17 -4.199 15.933 2.432 119 HG12 ILE 17 2HG1 ILE 17 -1.682 15.750 4.091 120 HG13 ILE 17 1HG1 ILE 17 -1.961 17.114 3.008 121 HG21 ILE 17 1HG2 ILE 17 -3.010 13.325 2.928 122 HG22 ILE 17 2HG2 ILE 17 -4.624 13.912 3.334 123 HG23 ILE 17 3HG2 ILE 17 -3.276 14.205 4.433 124 HD11 ILE 17 3HD1 ILE 17 -3.709 16.235 5.323 125 HD12 ILE 17 1HD1 ILE 17 -4.175 17.476 4.160 126 HD13 ILE 17 2HD1 ILE 17 -2.776 17.726 5.205 127 H LEU 18 H LEU 18 -4.326 15.799 -0.239 128 HA LEU 18 HA LEU 18 -5.645 13.345 -0.589 129 HB2 LEU 18 2HB LEU 18 -5.904 15.966 -1.565 130 HB3 LEU 18 1HB LEU 18 -5.736 14.946 -2.993 131 HG LEU 18 HG LEU 18 -7.701 14.503 -0.730 132 HD11 LEU 18 1HD1 LEU 18 -9.348 14.947 -2.648 133 HD12 LEU 18 2HD1 LEU 18 -7.971 15.599 -3.536 134 HD13 LEU 18 3HD1 LEU 18 -8.479 16.349 -2.024 135 HD21 LEU 18 3HD2 LEU 18 -7.692 12.373 -1.493 136 HD22 LEU 18 1HD2 LEU 18 -6.688 12.803 -2.877 137 HD23 LEU 18 2HD2 LEU 18 -8.438 13.000 -2.962 138 H THR 19 H THR 19 -3.056 14.840 -2.505 139 HA THR 19 HA THR 19 -2.918 12.882 -4.514 140 HB THR 19 HB THR 19 -0.603 14.497 -3.424 141 HG1 THR 19 1HG THR 19 -1.676 15.574 -5.574 142 HG21 THR 19 3HG2 THR 19 0.108 12.807 -4.993 143 HG22 THR 19 1HG2 THR 19 0.105 14.354 -5.841 144 HG23 THR 19 2HG2 THR 19 -1.209 13.206 -6.095 145 H LEU 20 H LEU 20 -1.023 13.205 -1.494 146 HA LEU 20 HA LEU 20 0.467 10.834 -1.848 147 HB2 LEU 20 2HB LEU 20 1.064 12.617 -0.240 148 HB3 LEU 20 1HB LEU 20 -0.343 12.189 0.734 149 HG LEU 20 HG LEU 20 1.342 9.877 0.076 150 HD11 LEU 20 1HD1 LEU 20 3.156 10.486 1.632 151 HD12 LEU 20 2HD1 LEU 20 2.459 12.096 1.818 152 HD13 LEU 20 3HD1 LEU 20 3.110 11.590 0.258 153 HD21 LEU 20 3HD2 LEU 20 0.388 11.077 2.693 154 HD22 LEU 20 1HD2 LEU 20 1.008 9.442 2.462 155 HD23 LEU 20 2HD2 LEU 20 -0.520 9.918 1.724 156 H SER 21 H SER 21 -2.675 11.461 -0.377 157 HA SER 21 HA SER 21 -3.018 8.892 0.790 158 HB2 SER 21 2HB SER 21 -5.301 9.539 1.125 159 HB3 SER 21 1HB SER 21 -4.314 10.977 1.376 160 HG SER 21 HG SER 21 -5.710 10.246 -0.991 161 H LEU 22 H LEU 22 -4.128 10.321 -2.273 162 HA LEU 22 HA LEU 22 -5.607 8.189 -3.254 163 HB2 LEU 22 2HB LEU 22 -4.627 10.612 -4.270 164 HB3 LEU 22 1HB LEU 22 -3.970 9.376 -5.340 165 HG LEU 22 HG LEU 22 -6.147 10.104 -6.172 166 HD11 LEU 22 1HD1 LEU 22 -5.349 7.509 -5.797 167 HD12 LEU 22 2HD1 LEU 22 -6.770 7.986 -6.729 168 HD13 LEU 22 3HD1 LEU 22 -6.944 7.494 -5.043 169 HD21 LEU 22 3HD2 LEU 22 -7.792 8.974 -4.061 170 HD22 LEU 22 1HD2 LEU 22 -7.869 10.580 -4.785 171 HD23 LEU 22 2HD2 LEU 22 -6.777 10.272 -3.434 172 H ILE 23 H ILE 23 -2.112 8.729 -3.518 173 HA ILE 23 HA ILE 23 -1.558 6.438 -5.068 174 HB ILE 23 HB ILE 23 0.000 8.317 -3.380 175 HG12 ILE 23 2HG1 ILE 23 1.352 8.431 -5.416 176 HG13 ILE 23 1HG1 ILE 23 0.487 7.052 -6.095 177 HG21 ILE 23 1HG2 ILE 23 2.045 6.817 -3.755 178 HG22 ILE 23 2HG2 ILE 23 0.907 5.499 -4.022 179 HG23 ILE 23 3HG2 ILE 23 0.950 6.327 -2.463 180 HD11 ILE 23 3HD1 ILE 23 -1.173 9.341 -5.183 181 HD12 ILE 23 1HD1 ILE 23 -1.383 8.287 -6.580 182 HD13 ILE 23 2HD1 ILE 23 -0.206 9.601 -6.633 183 H LEU 24 H LEU 24 -1.306 6.927 -1.533 184 HA LEU 24 HA LEU 24 -0.544 4.337 -0.852 185 HB2 LEU 24 2HB LEU 24 -1.423 6.709 0.504 186 HB3 LEU 24 1HB LEU 24 -2.246 5.312 1.199 187 HG LEU 24 HG LEU 24 0.748 5.487 0.751 188 HD11 LEU 24 1HD1 LEU 24 0.167 7.067 2.473 189 HD12 LEU 24 2HD1 LEU 24 0.785 5.627 3.281 190 HD13 LEU 24 3HD1 LEU 24 -0.953 5.928 3.219 191 HD21 LEU 24 3HD2 LEU 24 -0.064 3.589 2.724 192 HD22 LEU 24 1HD2 LEU 24 0.716 3.280 1.172 193 HD23 LEU 24 2HD2 LEU 24 -1.044 3.323 1.280 194 H VAL 25 H VAL 25 -3.676 5.655 -1.614 195 HA VAL 25 HA VAL 25 -5.139 3.346 -0.683 196 HB VAL 25 HB VAL 25 -5.913 5.735 -2.366 197 HG11 VAL 25 1HG1 VAL 25 -8.278 4.853 -1.921 198 HG12 VAL 25 2HG1 VAL 25 -7.519 3.316 -1.512 199 HG13 VAL 25 3HG1 VAL 25 -7.344 3.981 -3.137 200 HG21 VAL 25 3HG2 VAL 25 -6.743 4.857 0.418 201 HG22 VAL 25 1HG2 VAL 25 -7.140 6.385 -0.369 202 HG23 VAL 25 2HG2 VAL 25 -5.473 6.036 0.091 203 H LEU 26 H LEU 26 -4.178 4.639 -3.852 204 HA LEU 26 HA LEU 26 -5.345 2.632 -5.430 205 HB2 LEU 26 2HB LEU 26 -3.350 4.754 -5.787 206 HB3 LEU 26 1HB LEU 26 -3.102 3.364 -6.844 207 HG LEU 26 HG LEU 26 -5.792 4.713 -6.507 208 HD11 LEU 26 1HD1 LEU 26 -4.032 6.268 -7.433 209 HD12 LEU 26 2HD1 LEU 26 -5.355 5.931 -8.550 210 HD13 LEU 26 3HD1 LEU 26 -3.801 5.124 -8.756 211 HD21 LEU 26 3HD2 LEU 26 -6.535 3.080 -7.875 212 HD22 LEU 26 1HD2 LEU 26 -4.969 2.288 -7.703 213 HD23 LEU 26 2HD2 LEU 26 -5.249 3.407 -9.036 214 H ILE 27 H ILE 27 -2.041 2.899 -4.132 215 HA ILE 27 HA ILE 27 -1.138 0.418 -5.185 216 HB ILE 27 HB ILE 27 0.310 2.330 -4.380 217 HG12 ILE 27 2HG1 ILE 27 0.847 -0.419 -3.210 218 HG13 ILE 27 1HG1 ILE 27 1.205 0.072 -4.867 219 HG21 ILE 27 1HG2 ILE 27 0.730 2.593 -2.054 220 HG22 ILE 27 2HG2 ILE 27 -0.112 1.096 -1.654 221 HG23 ILE 27 3HG2 ILE 27 -1.022 2.504 -2.199 222 HD11 ILE 27 3HD1 ILE 27 3.248 0.612 -4.017 223 HD12 ILE 27 1HD1 ILE 27 2.644 0.699 -2.364 224 HD13 ILE 27 2HD1 ILE 27 2.430 2.068 -3.455 225 H SER 28 H SER 28 -2.408 1.383 -2.003 226 HA SER 28 HA SER 28 -2.093 -1.018 -0.643 227 HB2 SER 28 2HB SER 28 -4.162 1.151 -0.475 228 HB3 SER 28 1HB SER 28 -4.268 -0.274 0.552 229 HG SER 28 HG SER 28 -1.797 1.000 0.354 230 H LEU 29 H LEU 29 -4.783 0.006 -2.716 231 HA LEU 29 HA LEU 29 -6.388 -2.267 -2.386 232 HB2 LEU 29 2HB LEU 29 -6.277 0.024 -4.180 233 HB3 LEU 29 1HB LEU 29 -6.802 -1.433 -5.020 234 HG LEU 29 HG LEU 29 -8.704 -0.168 -4.022 235 HD11 LEU 29 1HD1 LEU 29 -9.727 -2.167 -3.816 236 HD12 LEU 29 2HD1 LEU 29 -8.879 -2.483 -2.301 237 HD13 LEU 29 3HD1 LEU 29 -8.138 -2.933 -3.836 238 HD21 LEU 29 3HD2 LEU 29 -6.978 0.217 -1.908 239 HD22 LEU 29 1HD2 LEU 29 -8.054 -1.031 -1.280 240 HD23 LEU 29 2HD2 LEU 29 -8.718 0.503 -1.848 241 H LEU 30 H LEU 30 -3.939 -1.549 -4.858 242 HA LEU 30 HA LEU 30 -4.189 -3.973 -6.277 243 HB2 LEU 30 2HB LEU 30 -2.926 -1.796 -6.905 244 HB3 LEU 30 1HB LEU 30 -1.586 -2.499 -5.999 245 HG LEU 30 HG LEU 30 -2.175 -4.639 -7.469 246 HD11 LEU 30 1HD1 LEU 30 -4.100 -3.146 -8.478 247 HD12 LEU 30 2HD1 LEU 30 -3.174 -4.213 -9.532 248 HD13 LEU 30 3HD1 LEU 30 -2.800 -2.491 -9.472 249 HD21 LEU 30 3HD2 LEU 30 -0.477 -2.240 -8.009 250 HD22 LEU 30 1HD2 LEU 30 -0.658 -3.411 -9.316 251 HD23 LEU 30 2HD2 LEU 30 -0.004 -3.922 -7.760 252 H LEU 31 H LEU 31 -2.110 -3.043 -3.550 253 HA LEU 31 HA LEU 31 -0.526 -5.324 -3.414 254 HB2 LEU 31 2HB LEU 31 -0.889 -3.022 -1.880 255 HB3 LEU 31 1HB LEU 31 -1.274 -4.346 -0.779 256 HG LEU 31 HG LEU 31 1.254 -4.087 -2.435 257 HD11 LEU 31 1HD1 LEU 31 1.280 -2.571 -0.541 258 HD12 LEU 31 2HD1 LEU 31 2.311 -3.950 -0.156 259 HD13 LEU 31 3HD1 LEU 31 0.691 -3.839 0.534 260 HD21 LEU 31 3HD2 LEU 31 1.216 -6.356 -2.252 261 HD22 LEU 31 1HD2 LEU 31 -0.021 -6.323 -0.995 262 HD23 LEU 31 2HD2 LEU 31 1.672 -6.059 -0.574 263 H THR 32 H THR 32 -3.712 -4.680 -1.991 264 HA THR 32 HA THR 32 -3.964 -7.070 -0.528 265 HB THR 32 HB THR 32 -6.104 -5.370 -1.829 266 HG1 THR 32 1HG THR 32 -4.552 -5.181 0.426 267 HG21 THR 32 3HG2 THR 32 -6.205 -7.635 0.163 268 HG22 THR 32 1HG2 THR 32 -7.122 -7.454 -1.332 269 HG23 THR 32 2HG2 THR 32 -7.490 -6.433 0.058 270 H VAL 33 H VAL 33 -5.123 -6.255 -3.803 271 HA VAL 33 HA VAL 33 -6.261 -8.724 -4.437 272 HB VAL 33 HB VAL 33 -4.962 -6.603 -6.140 273 HG11 VAL 33 1HG1 VAL 33 -4.654 -8.527 -7.476 274 HG12 VAL 33 2HG1 VAL 33 -6.200 -7.879 -8.026 275 HG13 VAL 33 3HG1 VAL 33 -6.162 -9.257 -6.925 276 HG21 VAL 33 3HG2 VAL 33 -7.240 -6.052 -6.703 277 HG22 VAL 33 1HG2 VAL 33 -7.167 -6.210 -4.947 278 HG23 VAL 33 2HG2 VAL 33 -7.844 -7.514 -5.923 279 H LEU 34 H LEU 34 -2.919 -7.594 -4.874 280 HA LEU 34 HA LEU 34 -1.925 -9.880 -6.193 281 HB2 LEU 34 2HB LEU 34 -0.824 -7.577 -4.743 282 HB3 LEU 34 1HB LEU 34 0.226 -8.992 -4.778 283 HG LEU 34 HG LEU 34 0.089 -9.099 -7.215 284 HD11 LEU 34 1HD1 LEU 34 -1.898 -8.361 -8.040 285 HD12 LEU 34 2HD1 LEU 34 -1.077 -6.802 -8.123 286 HD13 LEU 34 3HD1 LEU 34 -2.109 -7.184 -6.746 287 HD21 LEU 34 3HD2 LEU 34 0.567 -6.192 -6.948 288 HD22 LEU 34 1HD2 LEU 34 1.640 -7.461 -7.540 289 HD23 LEU 34 2HD2 LEU 34 1.461 -7.195 -5.806 290 H ALA 35 H ALA 35 -1.883 -9.028 -2.733 291 HA ALA 35 HA ALA 35 -0.651 -11.382 -1.815 292 HB1 ALA 35 1HB ALA 35 -0.752 -10.152 0.055 293 HB2 ALA 35 2HB ALA 35 -2.464 -10.558 0.176 294 HB3 ALA 35 3HB ALA 35 -1.964 -9.088 -0.658 295 H LEU 36 H LEU 36 -3.945 -10.635 -2.682 296 HA LEU 36 HA LEU 36 -5.178 -12.914 -1.471 297 HB2 LEU 36 2HB LEU 36 -5.988 -10.722 -3.154 298 HB3 LEU 36 1HB LEU 36 -6.664 -12.233 -3.766 299 HG LEU 36 HG LEU 36 -7.526 -12.754 -1.502 300 HD11 LEU 36 1HD1 LEU 36 -5.766 -10.556 -0.817 301 HD12 LEU 36 2HD1 LEU 36 -6.554 -11.719 0.249 302 HD13 LEU 36 3HD1 LEU 36 -7.399 -10.246 -0.230 303 HD21 LEU 36 3HD2 LEU 36 -9.419 -11.589 -1.957 304 HD22 LEU 36 1HD2 LEU 36 -8.527 -10.905 -3.316 305 HD23 LEU 36 2HD2 LEU 36 -8.598 -10.037 -1.782 306 H LEU 37 H LEU 37 -4.078 -12.295 -4.798 307 HA LEU 37 HA LEU 37 -4.736 -14.860 -5.805 308 HB2 LEU 37 2HB LEU 37 -2.929 -12.640 -6.703 309 HB3 LEU 37 1HB LEU 37 -2.890 -14.197 -7.531 310 HG LEU 37 HG LEU 37 -5.581 -13.042 -7.007 311 HD11 LEU 37 1HD1 LEU 37 -5.234 -11.768 -9.262 312 HD12 LEU 37 2HD1 LEU 37 -3.525 -11.815 -8.830 313 HD13 LEU 37 3HD1 LEU 37 -4.683 -11.015 -7.766 314 HD21 LEU 37 3HD2 LEU 37 -5.198 -15.204 -8.184 315 HD22 LEU 37 1HD2 LEU 37 -4.289 -14.344 -9.427 316 HD23 LEU 37 2HD2 LEU 37 -6.009 -14.024 -9.215 317 H SER 38 H SER 38 -1.763 -13.509 -4.421 318 HA SER 38 HA SER 38 -0.031 -15.647 -4.895 319 HB2 SER 38 2HB SER 38 1.083 -13.833 -4.013 320 HB3 SER 38 1HB SER 38 -0.191 -13.481 -2.849 321 HG SER 38 HG SER 38 1.593 -14.365 -1.792 322 H HIS 39 H HIS 39 -2.199 -15.082 -2.120 323 HA HIS 39 HA HIS 39 -1.523 -17.471 -0.746 324 HB2 HIS 39 2HB HIS 39 -2.572 -15.656 0.443 325 HB3 HIS 39 1HB HIS 39 -3.987 -15.727 -0.609 326 HD2 HIS 39 2HD HIS 39 -5.300 -16.365 2.015 327 HE1 HIS 39 1HE HIS 39 -4.085 -20.403 1.814 328 HE2 HIS 39 2HE HIS 39 -5.639 -18.767 2.978 329 H ARG 40 H ARG 40 -4.086 -16.640 -3.048 330 HA ARG 40 HA ARG 40 -5.521 -19.060 -2.912 331 HB2 ARG 40 2HB ARG 40 -5.203 -17.054 -5.153 332 HB3 ARG 40 1HB ARG 40 -6.333 -18.407 -5.206 333 HG2 ARG 40 2HG ARG 40 -6.522 -16.908 -2.706 334 HG3 ARG 40 1HG ARG 40 -6.853 -15.902 -4.116 335 HD2 ARG 40 2HD ARG 40 -8.584 -17.375 -4.870 336 HD3 ARG 40 1HD ARG 40 -8.127 -18.615 -3.706 337 HE ARG 40 HE ARG 40 -9.342 -17.470 -2.090 338 HH11 ARG 40 1HH2 ARG 40 -8.747 -15.475 -4.854 339 HH12 ARG 40 2HH2 ARG 40 -9.780 -14.190 -4.321 340 HH21 ARG 40 1HH1 ARG 40 -10.699 -15.791 -1.385 341 HH22 ARG 40 2HH1 ARG 40 -10.885 -14.369 -2.357 342 H ARG 41 H ARG 41 -2.798 -18.052 -4.952 343 HA ARG 41 HA ARG 41 -2.709 -20.364 -6.575 344 HB2 ARG 41 2HB ARG 41 -1.408 -17.996 -6.604 345 HB3 ARG 41 1HB ARG 41 -0.155 -19.025 -5.909 346 HG2 ARG 41 2HG ARG 41 -0.591 -20.652 -7.813 347 HG3 ARG 41 1HG ARG 41 -1.590 -19.400 -8.547 348 HD2 ARG 41 2HD ARG 41 0.846 -18.154 -7.796 349 HD3 ARG 41 1HD ARG 41 1.275 -19.663 -8.594 350 HE ARG 41 HE ARG 41 -0.060 -17.371 -9.801 351 HH11 ARG 41 1HH2 ARG 41 0.820 -20.715 -9.973 352 HH12 ARG 41 2HH2 ARG 41 0.665 -20.808 -11.694 353 HH21 ARG 41 1HH1 ARG 41 -0.265 -17.488 -12.059 354 HH22 ARG 41 2HH1 ARG 41 0.051 -18.982 -12.876 355 H THR 42 H THR 42 -0.964 -19.501 -3.589 356 HA THR 42 HA THR 42 0.641 -21.765 -3.350 357 HB THR 42 HB THR 42 -0.082 -21.188 -0.742 358 HG1 THR 42 1HG THR 42 -0.416 -18.949 -2.433 359 HG21 THR 42 3HG2 THR 42 1.968 -19.783 -0.769 360 HG22 THR 42 1HG2 THR 42 1.953 -19.830 -2.532 361 HG23 THR 42 2HG2 THR 42 2.201 -21.314 -1.612 362 H LEU 43 H LEU 43 -2.710 -21.248 -2.293 363 HA LEU 43 HA LEU 43 -3.052 -23.732 -0.994 364 HB2 LEU 43 2HB LEU 43 -4.617 -21.468 -1.481 365 HB3 LEU 43 1HB LEU 43 -5.474 -22.784 -2.284 366 HG LEU 43 HG LEU 43 -4.508 -22.815 0.593 367 HD11 LEU 43 1HD1 LEU 43 -6.981 -21.913 -0.704 368 HD12 LEU 43 2HD1 LEU 43 -6.396 -21.613 0.932 369 HD13 LEU 43 3HD1 LEU 43 -7.257 -23.106 0.564 370 HD21 LEU 43 3HD2 LEU 43 -6.406 -24.816 0.194 371 HD22 LEU 43 1HD2 LEU 43 -4.665 -25.059 0.326 372 HD23 LEU 43 2HD2 LEU 43 -5.413 -24.890 -1.262 373 H GLN 44 H GLN 44 -3.926 -22.705 -4.298 374 HA GLN 44 HA GLN 44 -4.951 -25.143 -5.197 375 HB2 GLN 44 2HB GLN 44 -4.522 -22.661 -6.308 376 HB3 GLN 44 1HB GLN 44 -3.396 -23.679 -7.208 377 HG2 GLN 44 2HG GLN 44 -5.246 -25.273 -7.673 378 HG3 GLN 44 1HG GLN 44 -6.361 -24.191 -6.839 379 HE21 GLN 44 1HE2 GLN 44 -3.719 -22.926 -8.827 380 HE22 GLN 44 2HE2 GLN 44 -4.709 -22.328 -10.068 381 H GLN 45 H GLN 45 -1.620 -23.958 -5.083 382 HA GLN 45 HA GLN 45 -0.447 -26.104 -6.518 383 HB2 GLN 45 2HB GLN 45 0.576 -23.821 -5.907 384 HB3 GLN 45 1HB GLN 45 0.952 -24.555 -4.347 385 HG2 GLN 45 2HG GLN 45 2.125 -26.404 -5.552 386 HG3 GLN 45 1HG GLN 45 1.842 -25.550 -7.068 387 HE21 GLN 45 1HE2 GLN 45 2.471 -22.956 -6.598 388 HE22 GLN 45 2HE2 GLN 45 4.050 -22.791 -5.999 389 H LYS 46 H LYS 46 -1.090 -25.571 -3.078 390 HA LYS 46 HA LYS 46 0.245 -27.918 -2.168 391 HB2 LYS 46 2HB LYS 46 -1.902 -26.199 -0.909 392 HB3 LYS 46 1HB LYS 46 -1.091 -27.527 -0.077 393 HG2 LYS 46 2HG LYS 46 0.735 -25.634 -1.412 394 HG3 LYS 46 1HG LYS 46 -0.195 -24.938 -0.082 395 HD2 LYS 46 2HD LYS 46 0.557 -26.728 1.415 396 HD3 LYS 46 1HD LYS 46 1.444 -27.484 0.089 397 HE2 LYS 46 2HE LYS 46 3.047 -25.781 0.014 398 HE3 LYS 46 1HE LYS 46 1.990 -24.618 0.813 399 HZ1 LYS 46 3HZ LYS 46 3.930 -25.947 2.056 400 HZ2 LYS 46 1HZ LYS 46 2.629 -26.995 2.344 401 HZ3 LYS 46 2HZ LYS 46 2.536 -25.373 2.838 402 H ILE 47 H ILE 47 -3.063 -27.198 -3.153 403 HA ILE 47 HA ILE 47 -4.198 -29.658 -2.309 404 HB ILE 47 HB ILE 47 -5.019 -27.492 -4.214 405 HG12 ILE 47 2HG1 ILE 47 -5.286 -27.629 -1.583 406 HG13 ILE 47 1HG1 ILE 47 -6.595 -26.995 -2.578 407 HG21 ILE 47 1HG2 ILE 47 -5.844 -29.337 -5.434 408 HG22 ILE 47 2HG2 ILE 47 -7.205 -28.888 -4.407 409 HG23 ILE 47 3HG2 ILE 47 -6.191 -30.263 -3.973 410 HD11 ILE 47 3HD1 ILE 47 -7.849 -28.986 -2.417 411 HD12 ILE 47 1HD1 ILE 47 -7.189 -28.786 -0.795 412 HD13 ILE 47 2HD1 ILE 47 -6.454 -29.937 -1.910 413 H TRP 48 H TRP 48 -2.740 -28.580 -5.343 414 HA TRP 48 HA TRP 48 -2.685 -31.400 -6.230 415 HB2 TRP 48 2HB TRP 48 -4.395 -30.137 -7.490 416 HB3 TRP 48 1HB TRP 48 -3.155 -28.986 -7.992 417 HD1 TRP 48 HD TRP 48 -1.869 -29.552 -10.115 418 HE1 TRP 48 1HE TRP 48 -1.598 -31.643 -11.598 419 HE3 TRP 48 3HE TRP 48 -4.381 -32.977 -7.278 420 HZ2 TRP 48 2HZ TRP 48 -2.348 -34.404 -11.583 421 HZ3 TRP 48 3HZ TRP 48 -4.587 -35.328 -8.036 422 HH2 TRP 48 HH TRP 48 -3.575 -36.045 -10.183 423 HA PRO 49 HA PRO 49 1.614 -29.602 -5.852 424 HB2 PRO 49 2HB PRO 49 2.061 -32.548 -5.628 425 HB3 PRO 49 1HB PRO 49 2.760 -31.225 -4.675 426 HG2 PRO 49 2HG PRO 49 0.845 -32.785 -3.688 427 HG3 PRO 49 1HG PRO 49 0.922 -31.055 -3.312 428 HD2 PRO 49 2HD PRO 49 -0.948 -32.505 -5.126 429 HD3 PRO 49 1HD PRO 49 -1.219 -31.041 -4.156 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -14.566 19.475 19.161 2 H2 MET 1 2HT MET 1 -15.359 20.855 19.754 3 H3 MET 1 3HT MET 1 -13.839 20.412 20.373 4 HA MET 1 HA MET 1 -12.696 21.196 18.590 5 HB2 MET 1 2HB MET 1 -14.848 19.931 17.195 6 HB3 MET 1 1HB MET 1 -14.658 21.559 16.546 7 HG2 MET 1 2HG MET 1 -13.199 20.024 15.327 8 HG3 MET 1 1HG MET 1 -12.216 21.134 16.282 9 HE1 MET 1 2HE MET 1 -9.863 19.018 16.521 10 HE2 MET 1 3HE MET 1 -10.944 19.255 15.150 11 HE3 MET 1 1HE MET 1 -10.683 17.632 15.805 12 H SER 2 H SER 2 -15.550 22.202 20.022 13 HA SER 2 HA SER 2 -16.578 24.246 20.324 14 HB2 SER 2 2HB SER 2 -14.444 24.575 21.528 15 HB3 SER 2 1HB SER 2 -13.709 25.178 20.046 16 HG SER 2 HG SER 2 -14.779 27.000 20.256 17 H GLU 3 H GLU 3 -15.848 23.301 17.448 18 HA GLU 3 HA GLU 3 -16.766 25.766 16.196 19 HB2 GLU 3 2HB GLU 3 -14.082 24.573 15.806 20 HB3 GLU 3 1HB GLU 3 -14.924 25.052 14.334 21 HG2 GLU 3 2HG GLU 3 -15.300 27.315 15.326 22 HG3 GLU 3 1HG GLU 3 -14.359 26.821 16.734 23 HA PRO 4 HA PRO 4 -19.181 22.983 13.772 24 HB2 PRO 4 2HB PRO 4 -19.257 24.276 11.345 25 HB3 PRO 4 1HB PRO 4 -20.212 24.766 12.757 26 HG2 PRO 4 2HG PRO 4 -17.663 25.894 11.715 27 HG3 PRO 4 1HG PRO 4 -19.074 26.727 12.390 28 HD2 PRO 4 2HD PRO 4 -16.812 26.321 13.838 29 HD3 PRO 4 1HD PRO 4 -18.423 26.341 14.587 30 H ALA 5 H ALA 5 -18.896 21.194 12.501 31 HA ALA 5 HA ALA 5 -16.288 20.428 11.723 32 HB1 ALA 5 1HB ALA 5 -18.237 18.902 12.329 33 HB2 ALA 5 2HB ALA 5 -17.276 18.414 10.933 34 HB3 ALA 5 3HB ALA 5 -18.841 19.191 10.699 35 H SER 6 H SER 6 -18.324 22.597 10.308 36 HA SER 6 HA SER 6 -18.154 22.015 7.558 37 HB2 SER 6 2HB SER 6 -19.591 23.791 8.726 38 HB3 SER 6 1HB SER 6 -18.151 24.807 8.695 39 HG SER 6 HG SER 6 -18.121 24.615 6.455 40 H LEU 7 H LEU 7 -15.936 23.637 9.766 41 HA LEU 7 HA LEU 7 -14.193 24.854 7.995 42 HB2 LEU 7 2HB LEU 7 -14.207 24.277 10.722 43 HB3 LEU 7 1HB LEU 7 -12.748 23.493 10.116 44 HG LEU 7 HG LEU 7 -13.517 26.391 9.652 45 HD11 LEU 7 1HD1 LEU 7 -11.007 25.937 11.000 46 HD12 LEU 7 2HD1 LEU 7 -12.307 25.126 11.871 47 HD13 LEU 7 3HD1 LEU 7 -12.406 26.857 11.552 48 HD21 LEU 7 3HD2 LEU 7 -12.190 26.032 7.815 49 HD22 LEU 7 1HD2 LEU 7 -11.448 24.591 8.508 50 HD23 LEU 7 2HD2 LEU 7 -10.891 26.190 8.998 51 H LEU 8 H LEU 8 -13.951 21.525 9.257 52 HA LEU 8 HA LEU 8 -11.772 20.829 7.560 53 HB2 LEU 8 2HB LEU 8 -13.730 18.965 8.911 54 HB3 LEU 8 1HB LEU 8 -12.100 18.575 8.358 55 HG LEU 8 HG LEU 8 -11.820 20.835 10.019 56 HD11 LEU 8 1HD1 LEU 8 -12.882 20.166 12.099 57 HD12 LEU 8 2HD1 LEU 8 -13.514 18.701 11.346 58 HD13 LEU 8 3HD1 LEU 8 -14.121 20.279 10.849 59 HD21 LEU 8 3HD2 LEU 8 -11.299 17.880 10.455 60 HD22 LEU 8 1HD2 LEU 8 -10.677 19.151 11.510 61 HD23 LEU 8 2HD2 LEU 8 -10.166 19.075 9.824 62 H THR 9 H THR 9 -15.257 20.510 7.338 63 HA THR 9 HA THR 9 -15.319 18.837 5.055 64 HB THR 9 HB THR 9 -17.467 20.851 5.605 65 HG1 THR 9 1HG THR 9 -18.189 19.157 7.151 66 HG21 THR 9 3HG2 THR 9 -18.877 19.242 4.686 67 HG22 THR 9 1HG2 THR 9 -17.806 17.910 5.122 68 HG23 THR 9 2HG2 THR 9 -17.395 18.967 3.771 69 H ALA 10 H ALA 10 -14.460 22.087 5.446 70 HA ALA 10 HA ALA 10 -15.054 22.766 2.663 71 HB1 ALA 10 1HB ALA 10 -15.507 24.332 4.670 72 HB2 ALA 10 2HB ALA 10 -14.746 25.019 3.233 73 HB3 ALA 10 3HB ALA 10 -13.767 24.612 4.642 74 H SER 11 H SER 11 -12.422 22.190 4.832 75 HA SER 11 HA SER 11 -10.427 22.858 2.811 76 HB2 SER 11 2HB SER 11 -10.267 23.325 5.383 77 HB3 SER 11 1HB SER 11 -9.759 21.642 5.467 78 HG SER 11 HG SER 11 -8.608 23.267 3.513 79 H ASP 12 H ASP 12 -12.334 20.280 3.446 80 HA ASP 12 HA ASP 12 -10.594 18.065 3.381 81 HB2 ASP 12 2HB ASP 12 -13.319 18.421 3.555 82 HB3 ASP 12 1HB ASP 12 -13.127 17.685 1.965 83 H LEU 13 H LEU 13 -10.823 20.432 1.157 84 HA LEU 13 HA LEU 13 -10.701 18.785 -1.239 85 HB2 LEU 13 2HB LEU 13 -10.030 21.708 -1.179 86 HB3 LEU 13 1HB LEU 13 -10.804 20.767 -2.455 87 HG LEU 13 HG LEU 13 -12.044 21.454 0.224 88 HD11 LEU 13 1HD1 LEU 13 -12.427 23.427 -0.833 89 HD12 LEU 13 2HD1 LEU 13 -13.631 22.519 -1.747 90 HD13 LEU 13 3HD1 LEU 13 -12.018 22.765 -2.415 91 HD21 LEU 13 3HD2 LEU 13 -12.916 19.347 -0.487 92 HD22 LEU 13 1HD2 LEU 13 -12.988 19.865 -2.171 93 HD23 LEU 13 2HD2 LEU 13 -14.112 20.541 -0.992 94 H ASP 14 H ASP 14 -8.571 20.146 1.076 95 HA ASP 14 HA ASP 14 -6.220 20.821 0.166 96 HB2 ASP 14 2HB ASP 14 -6.762 19.832 2.477 97 HB3 ASP 14 1HB ASP 14 -6.216 18.301 1.795 98 HA PRO 15 HA PRO 15 -6.061 17.810 -3.348 99 HB2 PRO 15 2HB PRO 15 -3.981 19.764 -4.196 100 HB3 PRO 15 1HB PRO 15 -5.335 19.081 -5.117 101 HG2 PRO 15 2HG PRO 15 -5.377 21.593 -4.228 102 HG3 PRO 15 1HG PRO 15 -6.842 20.597 -4.290 103 HD2 PRO 15 2HD PRO 15 -5.190 21.375 -1.922 104 HD3 PRO 15 1HD PRO 15 -6.944 21.120 -2.042 105 H LEU 16 H LEU 16 -3.431 19.255 -1.496 106 HA LEU 16 HA LEU 16 -1.352 17.538 -2.284 107 HB2 LEU 16 2HB LEU 16 -1.753 19.605 -0.366 108 HB3 LEU 16 1HB LEU 16 -1.035 18.226 0.469 109 HG LEU 16 HG LEU 16 0.027 19.437 -2.102 110 HD11 LEU 16 1HD1 LEU 16 1.841 19.623 0.095 111 HD12 LEU 16 2HD1 LEU 16 0.291 20.284 0.617 112 HD13 LEU 16 3HD1 LEU 16 1.093 20.937 -0.811 113 HD21 LEU 16 3HD2 LEU 16 1.963 17.899 -0.723 114 HD22 LEU 16 1HD2 LEU 16 1.183 17.508 -2.257 115 HD23 LEU 16 2HD2 LEU 16 0.489 16.929 -0.742 116 H ILE 17 H ILE 17 -3.470 17.356 0.586 117 HA ILE 17 HA ILE 17 -2.481 14.862 1.487 118 HB ILE 17 HB ILE 17 -5.126 16.246 1.975 119 HG12 ILE 17 2HG1 ILE 17 -2.749 15.926 3.821 120 HG13 ILE 17 1HG1 ILE 17 -2.916 17.307 2.736 121 HG21 ILE 17 1HG2 ILE 17 -4.971 14.660 4.067 122 HG22 ILE 17 2HG2 ILE 17 -3.956 13.680 3.009 123 HG23 ILE 17 3HG2 ILE 17 -5.621 14.039 2.550 124 HD11 ILE 17 3HD1 ILE 17 -5.070 16.493 4.701 125 HD12 ILE 17 1HD1 ILE 17 -4.955 17.999 3.793 126 HD13 ILE 17 2HD1 ILE 17 -3.811 17.665 5.090 127 H LEU 18 H LEU 18 -5.024 15.762 -0.765 128 HA LEU 18 HA LEU 18 -6.328 13.280 -0.983 129 HB2 LEU 18 2HB LEU 18 -6.505 15.799 -2.205 130 HB3 LEU 18 1HB LEU 18 -6.187 14.668 -3.521 131 HG LEU 18 HG LEU 18 -8.355 14.353 -1.425 132 HD11 LEU 18 1HD1 LEU 18 -9.354 15.915 -2.753 133 HD12 LEU 18 2HD1 LEU 18 -9.624 14.539 -3.823 134 HD13 LEU 18 3HD1 LEU 18 -8.256 15.616 -4.101 135 HD21 LEU 18 3HD2 LEU 18 -8.108 12.168 -2.048 136 HD22 LEU 18 1HD2 LEU 18 -7.223 12.585 -3.516 137 HD23 LEU 18 2HD2 LEU 18 -8.982 12.680 -3.491 138 H THR 19 H THR 19 -3.642 14.638 -2.879 139 HA THR 19 HA THR 19 -3.300 12.498 -4.648 140 HB THR 19 HB THR 19 -1.076 14.227 -3.551 141 HG1 THR 19 1HG THR 19 -3.184 15.191 -4.452 142 HG21 THR 19 3HG2 THR 19 -1.172 13.566 -6.402 143 HG22 THR 19 1HG2 THR 19 -1.046 12.142 -5.368 144 HG23 THR 19 2HG2 THR 19 0.163 13.421 -5.260 145 H LEU 20 H LEU 20 -1.723 13.145 -1.523 146 HA LEU 20 HA LEU 20 -0.139 10.804 -1.487 147 HB2 LEU 20 2HB LEU 20 -1.034 12.816 0.516 148 HB3 LEU 20 1HB LEU 20 -0.436 11.274 1.129 149 HG LEU 20 HG LEU 20 1.644 11.546 -0.141 150 HD11 LEU 20 1HD1 LEU 20 0.229 14.014 -1.146 151 HD12 LEU 20 2HD1 LEU 20 1.007 12.741 -2.085 152 HD13 LEU 20 3HD1 LEU 20 1.987 13.892 -1.177 153 HD21 LEU 20 3HD2 LEU 20 2.612 13.237 1.216 154 HD22 LEU 20 1HD2 LEU 20 1.247 12.642 2.161 155 HD23 LEU 20 2HD2 LEU 20 1.111 14.161 1.276 156 H SER 21 H SER 21 -3.392 11.492 -0.261 157 HA SER 21 HA SER 21 -3.789 9.016 1.048 158 HB2 SER 21 2HB SER 21 -5.404 10.526 1.672 159 HB3 SER 21 1HB SER 21 -5.534 11.220 0.059 160 HG SER 21 HG SER 21 -7.191 9.579 1.080 161 H LEU 22 H LEU 22 -4.876 10.126 -2.167 162 HA LEU 22 HA LEU 22 -6.020 7.731 -3.030 163 HB2 LEU 22 2HB LEU 22 -5.171 10.233 -4.229 164 HB3 LEU 22 1HB LEU 22 -4.852 8.872 -5.303 165 HG LEU 22 HG LEU 22 -7.186 8.110 -5.030 166 HD11 LEU 22 1HD1 LEU 22 -8.486 10.340 -3.966 167 HD12 LEU 22 2HD1 LEU 22 -7.102 10.100 -2.899 168 HD13 LEU 22 3HD1 LEU 22 -8.254 8.791 -3.159 169 HD21 LEU 22 3HD2 LEU 22 -6.719 9.594 -6.895 170 HD22 LEU 22 1HD2 LEU 22 -6.827 11.009 -5.848 171 HD23 LEU 22 2HD2 LEU 22 -8.271 10.058 -6.198 172 H ILE 23 H ILE 23 -2.650 8.815 -3.139 173 HA ILE 23 HA ILE 23 -1.641 6.720 -4.728 174 HB ILE 23 HB ILE 23 -0.481 8.669 -2.780 175 HG12 ILE 23 2HG1 ILE 23 0.523 7.950 -5.525 176 HG13 ILE 23 1HG1 ILE 23 -0.937 8.925 -5.348 177 HG21 ILE 23 1HG2 ILE 23 0.843 6.130 -3.745 178 HG22 ILE 23 2HG2 ILE 23 0.802 6.794 -2.111 179 HG23 ILE 23 3HG2 ILE 23 1.786 7.567 -3.354 180 HD11 ILE 23 3HD1 ILE 23 1.728 9.581 -4.061 181 HD12 ILE 23 1HD1 ILE 23 0.274 10.578 -4.029 182 HD13 ILE 23 2HD1 ILE 23 1.130 10.315 -5.549 183 H LEU 24 H LEU 24 -1.409 7.082 -1.179 184 HA LEU 24 HA LEU 24 -0.446 4.537 -0.615 185 HB2 LEU 24 2HB LEU 24 -1.842 6.671 0.889 186 HB3 LEU 24 1HB LEU 24 -1.906 5.065 1.611 187 HG LEU 24 HG LEU 24 0.663 6.370 0.662 188 HD11 LEU 24 1HD1 LEU 24 0.579 6.154 3.493 189 HD12 LEU 24 2HD1 LEU 24 -0.908 6.957 2.994 190 HD13 LEU 24 3HD1 LEU 24 0.656 7.623 2.524 191 HD21 LEU 24 3HD2 LEU 24 1.548 4.345 1.065 192 HD22 LEU 24 1HD2 LEU 24 -0.033 3.724 1.539 193 HD23 LEU 24 2HD2 LEU 24 1.023 4.460 2.743 194 H VAL 25 H VAL 25 -3.648 5.559 -1.439 195 HA VAL 25 HA VAL 25 -4.932 3.161 -0.478 196 HB VAL 25 HB VAL 25 -5.880 5.379 -2.300 197 HG11 VAL 25 1HG1 VAL 25 -7.331 3.713 -2.952 198 HG12 VAL 25 2HG1 VAL 25 -8.143 4.196 -1.462 199 HG13 VAL 25 3HG1 VAL 25 -7.089 2.782 -1.474 200 HG21 VAL 25 3HG2 VAL 25 -5.493 5.267 0.467 201 HG22 VAL 25 1HG2 VAL 25 -7.218 4.959 0.260 202 HG23 VAL 25 2HG2 VAL 25 -6.500 6.431 -0.394 203 H LEU 26 H LEU 26 -4.151 4.468 -3.706 204 HA LEU 26 HA LEU 26 -5.033 2.297 -5.218 205 HB2 LEU 26 2HB LEU 26 -3.622 4.717 -5.666 206 HB3 LEU 26 1HB LEU 26 -2.689 3.426 -6.424 207 HG LEU 26 HG LEU 26 -5.659 3.898 -6.824 208 HD11 LEU 26 1HD1 LEU 26 -5.096 4.758 -8.988 209 HD12 LEU 26 2HD1 LEU 26 -3.403 4.299 -8.801 210 HD13 LEU 26 3HD1 LEU 26 -4.075 5.610 -7.831 211 HD21 LEU 26 3HD2 LEU 26 -4.714 2.300 -8.872 212 HD22 LEU 26 1HD2 LEU 26 -5.584 1.721 -7.452 213 HD23 LEU 26 2HD2 LEU 26 -3.822 1.697 -7.475 214 H ILE 27 H ILE 27 -1.722 2.988 -4.077 215 HA ILE 27 HA ILE 27 -0.571 0.610 -5.045 216 HB ILE 27 HB ILE 27 1.258 1.078 -3.425 217 HG12 ILE 27 2HG1 ILE 27 0.666 3.564 -2.407 218 HG13 ILE 27 1HG1 ILE 27 -0.878 2.738 -2.242 219 HG21 ILE 27 1HG2 ILE 27 1.664 2.269 -5.352 220 HG22 ILE 27 2HG2 ILE 27 1.438 3.622 -4.245 221 HG23 ILE 27 3HG2 ILE 27 0.113 3.105 -5.286 222 HD11 ILE 27 3HD1 ILE 27 0.202 2.199 -0.235 223 HD12 ILE 27 1HD1 ILE 27 1.772 2.025 -1.016 224 HD13 ILE 27 2HD1 ILE 27 0.534 0.788 -1.238 225 H SER 28 H SER 28 -1.878 1.404 -1.821 226 HA SER 28 HA SER 28 -1.290 -1.008 -0.552 227 HB2 SER 28 2HB SER 28 -3.273 -0.465 0.900 228 HB3 SER 28 1HB SER 28 -2.110 0.848 0.733 229 HG SER 28 HG SER 28 -3.920 0.909 -1.261 230 H LEU 29 H LEU 29 -4.084 -0.124 -2.537 231 HA LEU 29 HA LEU 29 -5.549 -2.504 -2.150 232 HB2 LEU 29 2HB LEU 29 -6.204 -0.207 -3.277 233 HB3 LEU 29 1HB LEU 29 -5.685 -1.025 -4.750 234 HG LEU 29 HG LEU 29 -7.207 -2.984 -3.690 235 HD11 LEU 29 1HD1 LEU 29 -9.209 -2.007 -2.669 236 HD12 LEU 29 2HD1 LEU 29 -8.514 -0.392 -2.805 237 HD13 LEU 29 3HD1 LEU 29 -7.788 -1.576 -1.719 238 HD21 LEU 29 3HD2 LEU 29 -9.107 -1.949 -5.081 239 HD22 LEU 29 1HD2 LEU 29 -7.579 -2.232 -5.915 240 HD23 LEU 29 2HD2 LEU 29 -8.002 -0.606 -5.378 241 H LEU 30 H LEU 30 -3.261 -1.541 -4.699 242 HA LEU 30 HA LEU 30 -3.449 -3.917 -6.218 243 HB2 LEU 30 2HB LEU 30 -2.442 -1.857 -7.101 244 HB3 LEU 30 1HB LEU 30 -1.123 -1.995 -5.939 245 HG LEU 30 HG LEU 30 -1.539 -4.454 -7.476 246 HD11 LEU 30 1HD1 LEU 30 -0.668 -1.939 -8.936 247 HD12 LEU 30 2HD1 LEU 30 -2.175 -2.810 -9.219 248 HD13 LEU 30 3HD1 LEU 30 -0.632 -3.577 -9.589 249 HD21 LEU 30 3HD2 LEU 30 0.894 -2.662 -7.287 250 HD22 LEU 30 1HD2 LEU 30 0.852 -4.401 -7.574 251 HD23 LEU 30 2HD2 LEU 30 0.423 -3.759 -5.988 252 H LEU 31 H LEU 31 -1.230 -2.954 -3.617 253 HA LEU 31 HA LEU 31 0.437 -5.191 -3.659 254 HB2 LEU 31 2HB LEU 31 1.026 -3.276 -2.337 255 HB3 LEU 31 1HB LEU 31 -0.434 -3.423 -1.361 256 HG LEU 31 HG LEU 31 1.250 -5.854 -1.460 257 HD11 LEU 31 1HD1 LEU 31 3.117 -4.445 -1.306 258 HD12 LEU 31 2HD1 LEU 31 2.725 -4.760 0.384 259 HD13 LEU 31 3HD1 LEU 31 2.249 -3.235 -0.362 260 HD21 LEU 31 3HD2 LEU 31 0.485 -6.134 0.727 261 HD22 LEU 31 1HD2 LEU 31 -0.843 -5.209 0.028 262 HD23 LEU 31 2HD2 LEU 31 0.372 -4.401 1.018 263 H THR 32 H THR 32 -2.618 -4.654 -1.923 264 HA THR 32 HA THR 32 -2.655 -7.118 -0.546 265 HB THR 32 HB THR 32 -4.870 -5.253 -1.410 266 HG1 THR 32 1HG THR 32 -4.801 -5.125 1.033 267 HG21 THR 32 3HG2 THR 32 -6.102 -7.194 -1.153 268 HG22 THR 32 1HG2 THR 32 -6.039 -6.651 0.523 269 HG23 THR 32 2HG2 THR 32 -4.937 -7.908 -0.038 270 H VAL 33 H VAL 33 -4.081 -6.133 -3.653 271 HA VAL 33 HA VAL 33 -5.420 -8.489 -4.281 272 HB VAL 33 HB VAL 33 -4.014 -6.514 -6.087 273 HG11 VAL 33 1HG1 VAL 33 -4.243 -8.511 -7.380 274 HG12 VAL 33 2HG1 VAL 33 -5.622 -7.501 -7.814 275 HG13 VAL 33 3HG1 VAL 33 -5.836 -8.851 -6.700 276 HG21 VAL 33 3HG2 VAL 33 -6.201 -6.163 -4.484 277 HG22 VAL 33 1HG2 VAL 33 -6.960 -6.737 -5.969 278 HG23 VAL 33 2HG2 VAL 33 -5.941 -5.298 -6.000 279 H LEU 34 H LEU 34 -2.045 -7.598 -4.944 280 HA LEU 34 HA LEU 34 -1.312 -9.900 -6.373 281 HB2 LEU 34 2HB LEU 34 0.038 -7.758 -4.887 282 HB3 LEU 34 1HB LEU 34 0.978 -9.235 -5.063 283 HG LEU 34 HG LEU 34 1.338 -7.606 -6.946 284 HD11 LEU 34 1HD1 LEU 34 1.752 -9.369 -8.292 285 HD12 LEU 34 2HD1 LEU 34 0.038 -9.752 -8.431 286 HD13 LEU 34 3HD1 LEU 34 0.974 -10.378 -7.074 287 HD21 LEU 34 3HD2 LEU 34 -1.316 -7.135 -6.803 288 HD22 LEU 34 1HD2 LEU 34 -1.306 -8.324 -8.104 289 HD23 LEU 34 2HD2 LEU 34 -0.372 -6.837 -8.261 290 H ALA 35 H ALA 35 -0.957 -9.188 -2.900 291 HA ALA 35 HA ALA 35 0.143 -11.685 -2.184 292 HB1 ALA 35 1HB ALA 35 -0.097 -10.991 0.019 293 HB2 ALA 35 2HB ALA 35 -1.629 -10.173 -0.297 294 HB3 ALA 35 3HB ALA 35 -0.112 -9.442 -0.823 295 H LEU 36 H LEU 36 -3.120 -10.564 -2.688 296 HA LEU 36 HA LEU 36 -4.454 -12.759 -1.441 297 HB2 LEU 36 2HB LEU 36 -5.206 -10.386 -2.843 298 HB3 LEU 36 1HB LEU 36 -6.055 -11.750 -3.569 299 HG LEU 36 HG LEU 36 -5.958 -11.196 -0.586 300 HD11 LEU 36 1HD1 LEU 36 -7.212 -9.495 -2.044 301 HD12 LEU 36 2HD1 LEU 36 -8.136 -10.265 -0.755 302 HD13 LEU 36 3HD1 LEU 36 -8.325 -10.809 -2.422 303 HD21 LEU 36 3HD2 LEU 36 -6.799 -13.280 -0.413 304 HD22 LEU 36 1HD2 LEU 36 -6.757 -13.470 -2.166 305 HD23 LEU 36 2HD2 LEU 36 -8.179 -12.778 -1.385 306 H LEU 37 H LEU 37 -3.596 -12.088 -4.829 307 HA LEU 37 HA LEU 37 -4.661 -14.516 -5.855 308 HB2 LEU 37 2HB LEU 37 -2.889 -12.346 -6.856 309 HB3 LEU 37 1HB LEU 37 -2.828 -13.889 -7.705 310 HG LEU 37 HG LEU 37 -5.498 -12.685 -7.046 311 HD11 LEU 37 1HD1 LEU 37 -4.332 -10.834 -8.092 312 HD12 LEU 37 2HD1 LEU 37 -5.413 -11.548 -9.289 313 HD13 LEU 37 3HD1 LEU 37 -3.685 -11.896 -9.343 314 HD21 LEU 37 3HD2 LEU 37 -6.261 -14.085 -8.746 315 HD22 LEU 37 1HD2 LEU 37 -4.911 -15.033 -8.122 316 HD23 LEU 37 2HD2 LEU 37 -4.712 -14.074 -9.589 317 H SER 38 H SER 38 -1.399 -13.529 -4.854 318 HA SER 38 HA SER 38 -0.047 -15.878 -5.586 319 HB2 SER 38 2HB SER 38 0.456 -13.653 -3.671 320 HB3 SER 38 1HB SER 38 1.415 -15.119 -3.490 321 HG SER 38 HG SER 38 1.631 -14.839 -5.923 322 H HIS 39 H HIS 39 -1.667 -14.989 -2.548 323 HA HIS 39 HA HIS 39 -1.003 -17.353 -1.135 324 HB2 HIS 39 2HB HIS 39 -3.150 -15.268 -0.823 325 HB3 HIS 39 1HB HIS 39 -3.099 -16.688 0.223 326 HD2 HIS 39 2HD HIS 39 0.007 -14.466 -0.924 327 HE1 HIS 39 1HE HIS 39 -0.126 -14.606 3.295 328 HE2 HIS 39 2HE HIS 39 1.190 -13.757 1.294 329 H ARG 40 H ARG 40 -3.911 -16.425 -2.970 330 HA ARG 40 HA ARG 40 -5.393 -18.763 -2.553 331 HB2 ARG 40 2HB ARG 40 -6.551 -16.945 -3.511 332 HB3 ARG 40 1HB ARG 40 -5.346 -16.737 -4.783 333 HG2 ARG 40 2HG ARG 40 -6.099 -18.597 -5.984 334 HG3 ARG 40 1HG ARG 40 -6.857 -19.325 -4.567 335 HD2 ARG 40 2HD ARG 40 -8.550 -18.404 -6.115 336 HD3 ARG 40 1HD ARG 40 -8.575 -17.571 -4.564 337 HE ARG 40 HE ARG 40 -6.863 -16.256 -6.451 338 HH11 ARG 40 1HH2 ARG 40 -10.145 -16.766 -5.479 339 HH12 ARG 40 2HH2 ARG 40 -10.711 -15.254 -6.107 340 HH21 ARG 40 1HH1 ARG 40 -7.598 -14.271 -7.277 341 HH22 ARG 40 2HH1 ARG 40 -9.270 -13.842 -7.123 342 H ARG 41 H ARG 41 -2.870 -18.007 -4.899 343 HA ARG 41 HA ARG 41 -3.197 -20.313 -6.512 344 HB2 ARG 41 2HB ARG 41 -1.046 -18.281 -6.105 345 HB3 ARG 41 1HB ARG 41 -0.642 -19.772 -6.956 346 HG2 ARG 41 2HG ARG 41 -3.138 -18.319 -7.747 347 HG3 ARG 41 1HG ARG 41 -1.585 -17.671 -8.278 348 HD2 ARG 41 2HD ARG 41 -2.332 -20.575 -8.657 349 HD3 ARG 41 1HD ARG 41 -2.715 -19.342 -9.855 350 HE ARG 41 HE ARG 41 0.068 -19.370 -9.055 351 HH11 ARG 41 1HH2 ARG 41 -2.372 -20.668 -11.140 352 HH12 ARG 41 2HH2 ARG 41 -1.258 -21.139 -12.379 353 HH21 ARG 41 1HH1 ARG 41 1.534 -19.985 -10.677 354 HH22 ARG 41 2HH1 ARG 41 0.955 -20.752 -12.117 355 H THR 42 H THR 42 -1.098 -19.610 -3.733 356 HA THR 42 HA THR 42 0.337 -22.019 -3.709 357 HB THR 42 HB THR 42 0.103 -21.365 -1.047 358 HG1 THR 42 1HG THR 42 -0.062 -19.163 -0.952 359 HG21 THR 42 3HG2 THR 42 2.216 -21.642 -2.162 360 HG22 THR 42 1HG2 THR 42 2.194 -20.011 -1.493 361 HG23 THR 42 2HG2 THR 42 1.904 -20.260 -3.215 362 H LEU 43 H LEU 43 -2.798 -21.169 -2.311 363 HA LEU 43 HA LEU 43 -3.186 -23.568 -0.856 364 HB2 LEU 43 2HB LEU 43 -4.610 -21.173 -1.305 365 HB3 LEU 43 1HB LEU 43 -5.677 -22.486 -1.806 366 HG LEU 43 HG LEU 43 -4.221 -22.335 0.852 367 HD11 LEU 43 1HD1 LEU 43 -6.149 -20.704 0.443 368 HD12 LEU 43 2HD1 LEU 43 -6.322 -21.777 1.832 369 HD13 LEU 43 3HD1 LEU 43 -7.192 -22.122 0.338 370 HD21 LEU 43 3HD2 LEU 43 -6.330 -24.168 0.977 371 HD22 LEU 43 1HD2 LEU 43 -4.614 -24.563 0.883 372 HD23 LEU 43 2HD2 LEU 43 -5.580 -24.479 -0.589 373 H GLN 44 H GLN 44 -4.218 -22.568 -4.111 374 HA GLN 44 HA GLN 44 -5.628 -24.931 -4.745 375 HB2 GLN 44 2HB GLN 44 -5.250 -22.520 -5.974 376 HB3 GLN 44 1HB GLN 44 -4.261 -23.580 -6.980 377 HG2 GLN 44 2HG GLN 44 -7.171 -24.038 -6.257 378 HG3 GLN 44 1HG GLN 44 -6.573 -23.493 -7.822 379 HE21 GLN 44 1HE2 GLN 44 -5.657 -25.071 -9.246 380 HE22 GLN 44 2HE2 GLN 44 -5.633 -26.729 -8.884 381 H GLN 45 H GLN 45 -2.243 -23.992 -5.204 382 HA GLN 45 HA GLN 45 -1.492 -26.304 -6.684 383 HB2 GLN 45 2HB GLN 45 -0.271 -23.922 -5.975 384 HB3 GLN 45 1HB GLN 45 0.634 -25.129 -5.060 385 HG2 GLN 45 2HG GLN 45 0.899 -26.458 -7.158 386 HG3 GLN 45 1HG GLN 45 0.106 -25.156 -8.045 387 HE21 GLN 45 1HE2 GLN 45 3.079 -26.287 -7.769 388 HE22 GLN 45 2HE2 GLN 45 3.985 -24.855 -7.680 389 H LYS 46 H LYS 46 -1.913 -25.650 -3.298 390 HA LYS 46 HA LYS 46 -0.351 -27.852 -2.338 391 HB2 LYS 46 2HB LYS 46 -2.149 -25.808 -1.186 392 HB3 LYS 46 1HB LYS 46 -2.082 -27.337 -0.308 393 HG2 LYS 46 2HG LYS 46 0.451 -25.972 -1.205 394 HG3 LYS 46 1HG LYS 46 -0.346 -25.496 0.295 395 HD2 LYS 46 2HD LYS 46 -0.003 -28.417 -0.102 396 HD3 LYS 46 1HD LYS 46 1.482 -27.500 0.154 397 HE2 LYS 46 2HE LYS 46 0.553 -28.276 2.301 398 HE3 LYS 46 1HE LYS 46 0.518 -26.516 2.207 399 HZ1 LYS 46 3HZ LYS 46 -1.573 -27.631 3.011 400 HZ2 LYS 46 1HZ LYS 46 -1.790 -28.200 1.428 401 HZ3 LYS 46 2HZ LYS 46 -1.767 -26.528 1.734 402 H ILE 47 H ILE 47 -3.819 -27.308 -2.897 403 HA ILE 47 HA ILE 47 -4.649 -29.860 -1.961 404 HB ILE 47 HB ILE 47 -6.012 -27.971 -3.895 405 HG12 ILE 47 2HG1 ILE 47 -6.643 -28.326 -0.969 406 HG13 ILE 47 1HG1 ILE 47 -5.365 -27.220 -1.474 407 HG21 ILE 47 1HG2 ILE 47 -6.737 -30.585 -2.723 408 HG22 ILE 47 2HG2 ILE 47 -7.373 -29.778 -4.156 409 HG23 ILE 47 3HG2 ILE 47 -7.970 -29.337 -2.557 410 HD11 ILE 47 3HD1 ILE 47 -7.905 -26.413 -1.245 411 HD12 ILE 47 1HD1 ILE 47 -7.982 -27.031 -2.896 412 HD13 ILE 47 2HD1 ILE 47 -6.833 -25.758 -2.482 413 H TRP 48 H TRP 48 -3.695 -28.619 -5.122 414 HA TRP 48 HA TRP 48 -3.616 -31.397 -6.110 415 HB2 TRP 48 2HB TRP 48 -5.014 -29.047 -7.300 416 HB3 TRP 48 1HB TRP 48 -4.215 -30.174 -8.396 417 HD1 TRP 48 HD TRP 48 -4.778 -32.916 -7.493 418 HE1 TRP 48 1HE TRP 48 -7.144 -33.875 -7.136 419 HE3 TRP 48 3HE TRP 48 -7.410 -28.579 -6.910 420 HZ2 TRP 48 2HZ TRP 48 -9.802 -32.928 -6.664 421 HZ3 TRP 48 3HZ TRP 48 -9.855 -28.637 -6.509 422 HH2 TRP 48 HH TRP 48 -11.052 -30.803 -6.385 423 HA PRO 49 HA PRO 49 0.339 -29.173 -6.948 424 HB2 PRO 49 2HB PRO 49 1.990 -30.897 -5.633 425 HB3 PRO 49 1HB PRO 49 1.157 -29.555 -4.828 426 HG2 PRO 49 2HG PRO 49 0.586 -32.447 -4.752 427 HG3 PRO 49 1HG PRO 49 0.278 -31.198 -3.538 428 HD2 PRO 49 2HD PRO 49 -1.624 -32.313 -5.313 429 HD3 PRO 49 1HD PRO 49 -1.851 -30.875 -4.296 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -20.678 33.858 10.760 2 H2 MET 1 2HT MET 1 -21.120 33.104 12.218 3 H3 MET 1 3HT MET 1 -21.135 32.224 10.764 4 HA MET 1 HA MET 1 -18.929 32.867 12.521 5 HB2 MET 1 2HB MET 1 -19.209 30.780 10.345 6 HB3 MET 1 1HB MET 1 -18.128 30.742 11.739 7 HG2 MET 1 2HG MET 1 -19.732 29.644 12.873 8 HG3 MET 1 1HG MET 1 -20.711 31.107 12.800 9 HE1 MET 1 2HE MET 1 -23.502 28.883 11.938 10 HE2 MET 1 3HE MET 1 -22.572 29.747 13.158 11 HE3 MET 1 1HE MET 1 -22.203 28.056 12.792 12 H SER 2 H SER 2 -16.746 32.231 11.130 13 HA SER 2 HA SER 2 -16.547 33.497 8.572 14 HB2 SER 2 2HB SER 2 -16.228 35.620 9.220 15 HB3 SER 2 1HB SER 2 -16.280 35.156 10.918 16 HG SER 2 HG SER 2 -14.122 34.819 10.897 17 H GLU 3 H GLU 3 -15.602 31.314 10.734 18 HA GLU 3 HA GLU 3 -13.263 30.562 9.285 19 HB2 GLU 3 2HB GLU 3 -12.479 32.491 10.806 20 HB3 GLU 3 1HB GLU 3 -12.697 31.352 12.136 21 HG2 GLU 3 2HG GLU 3 -11.148 29.781 11.109 22 HG3 GLU 3 1HG GLU 3 -11.002 30.806 9.682 23 HA PRO 4 HA PRO 4 -15.572 27.472 12.027 24 HB2 PRO 4 2HB PRO 4 -16.647 26.006 9.967 25 HB3 PRO 4 1HB PRO 4 -17.479 27.361 10.753 26 HG2 PRO 4 2HG PRO 4 -15.997 27.290 8.174 27 HG3 PRO 4 1HG PRO 4 -17.497 28.136 8.594 28 HD2 PRO 4 2HD PRO 4 -15.090 29.404 8.452 29 HD3 PRO 4 1HD PRO 4 -16.385 29.922 9.555 30 H ALA 5 H ALA 5 -15.002 25.240 12.292 31 HA ALA 5 HA ALA 5 -12.371 24.557 11.715 32 HB1 ALA 5 1HB ALA 5 -14.388 23.460 13.222 33 HB2 ALA 5 2HB ALA 5 -12.803 22.729 12.968 34 HB3 ALA 5 3HB ALA 5 -14.168 22.252 11.956 35 H SER 6 H SER 6 -14.865 24.804 9.548 36 HA SER 6 HA SER 6 -14.718 22.636 7.849 37 HB2 SER 6 2HB SER 6 -14.868 25.521 6.954 38 HB3 SER 6 1HB SER 6 -15.460 24.108 6.084 39 HG SER 6 HG SER 6 -16.989 23.801 7.675 40 H LEU 7 H LEU 7 -12.565 25.455 7.991 41 HA LEU 7 HA LEU 7 -10.939 24.688 5.788 42 HB2 LEU 7 2HB LEU 7 -11.153 26.934 7.341 43 HB3 LEU 7 1HB LEU 7 -9.631 26.248 7.908 44 HG LEU 7 HG LEU 7 -10.349 26.817 5.017 45 HD11 LEU 7 1HD1 LEU 7 -8.944 28.323 7.143 46 HD12 LEU 7 2HD1 LEU 7 -9.742 28.912 5.685 47 HD13 LEU 7 3HD1 LEU 7 -8.107 28.259 5.591 48 HD21 LEU 7 3HD2 LEU 7 -8.875 25.043 4.808 49 HD22 LEU 7 1HD2 LEU 7 -8.103 25.367 6.360 50 HD23 LEU 7 2HD2 LEU 7 -7.718 26.364 4.957 51 H LEU 8 H LEU 8 -10.409 24.455 9.310 52 HA LEU 8 HA LEU 8 -7.985 23.033 9.166 53 HB2 LEU 8 2HB LEU 8 -10.101 23.342 11.282 54 HB3 LEU 8 1HB LEU 8 -8.746 22.246 11.532 55 HG LEU 8 HG LEU 8 -8.375 24.593 12.402 56 HD11 LEU 8 1HD1 LEU 8 -6.177 24.174 12.113 57 HD12 LEU 8 2HD1 LEU 8 -6.295 24.457 10.376 58 HD13 LEU 8 3HD1 LEU 8 -6.642 22.861 11.036 59 HD21 LEU 8 3HD2 LEU 8 -8.062 26.395 10.861 60 HD22 LEU 8 1HD2 LEU 8 -9.576 25.623 10.392 61 HD23 LEU 8 2HD2 LEU 8 -8.101 25.311 9.475 62 H THR 9 H THR 9 -11.083 22.078 8.292 63 HA THR 9 HA THR 9 -10.572 19.236 8.831 64 HB THR 9 HB THR 9 -13.074 20.489 7.694 65 HG1 THR 9 1HG THR 9 -13.811 20.306 9.872 66 HG21 THR 9 3HG2 THR 9 -12.924 18.104 7.304 67 HG22 THR 9 1HG2 THR 9 -14.076 18.377 8.610 68 HG23 THR 9 2HG2 THR 9 -12.443 17.819 8.977 69 H ALA 10 H ALA 10 -11.155 21.508 6.203 70 HA ALA 10 HA ALA 10 -11.181 19.589 4.116 71 HB1 ALA 10 1HB ALA 10 -10.632 21.632 2.675 72 HB2 ALA 10 2HB ALA 10 -10.703 22.559 4.173 73 HB3 ALA 10 3HB ALA 10 -12.130 21.695 3.603 74 H SER 11 H SER 11 -8.659 21.155 5.885 75 HA SER 11 HA SER 11 -6.541 20.801 4.028 76 HB2 SER 11 2HB SER 11 -6.773 22.079 6.417 77 HB3 SER 11 1HB SER 11 -5.864 20.648 6.896 78 HG SER 11 HG SER 11 -4.486 21.166 5.030 79 H ASP 12 H ASP 12 -8.405 18.536 5.541 80 HA ASP 12 HA ASP 12 -6.228 16.570 5.760 81 HB2 ASP 12 2HB ASP 12 -8.563 17.071 7.311 82 HB3 ASP 12 1HB ASP 12 -8.746 15.488 6.559 83 H LEU 13 H LEU 13 -8.430 17.655 3.557 84 HA LEU 13 HA LEU 13 -8.252 15.149 2.044 85 HB2 LEU 13 2HB LEU 13 -10.697 15.504 1.364 86 HB3 LEU 13 1HB LEU 13 -10.408 14.863 2.981 87 HG LEU 13 HG LEU 13 -10.385 17.777 2.954 88 HD11 LEU 13 1HD1 LEU 13 -11.987 17.690 1.189 89 HD12 LEU 13 2HD1 LEU 13 -12.927 17.883 2.669 90 HD13 LEU 13 3HD1 LEU 13 -12.806 16.300 1.904 91 HD21 LEU 13 3HD2 LEU 13 -12.209 15.807 4.363 92 HD22 LEU 13 1HD2 LEU 13 -11.843 17.458 4.863 93 HD23 LEU 13 2HD2 LEU 13 -10.591 16.218 4.932 94 H ASP 14 H ASP 14 -7.323 18.117 2.082 95 HA ASP 14 HA ASP 14 -8.401 19.435 -0.149 96 HB2 ASP 14 2HB ASP 14 -6.133 19.749 1.607 97 HB3 ASP 14 1HB ASP 14 -5.672 20.100 -0.057 98 HA PRO 15 HA PRO 15 -7.054 17.620 -3.898 99 HB2 PRO 15 2HB PRO 15 -5.218 19.944 -4.321 100 HB3 PRO 15 1HB PRO 15 -6.435 19.254 -5.413 101 HG2 PRO 15 2HG PRO 15 -6.854 21.524 -4.050 102 HG3 PRO 15 1HG PRO 15 -8.155 20.386 -4.429 103 HD2 PRO 15 2HD PRO 15 -6.892 20.965 -1.812 104 HD3 PRO 15 1HD PRO 15 -8.486 20.270 -2.175 105 H LEU 16 H LEU 16 -4.255 19.306 -2.440 106 HA LEU 16 HA LEU 16 -2.271 17.584 -3.381 107 HB2 LEU 16 2HB LEU 16 -2.499 19.642 -1.291 108 HB3 LEU 16 1HB LEU 16 -1.277 18.414 -0.960 109 HG LEU 16 HG LEU 16 -0.398 20.365 -2.274 110 HD11 LEU 16 1HD1 LEU 16 1.090 18.893 -3.104 111 HD12 LEU 16 2HD1 LEU 16 -0.077 18.337 -4.304 112 HD13 LEU 16 3HD1 LEU 16 -0.033 17.593 -2.707 113 HD21 LEU 16 3HD2 LEU 16 -1.720 19.360 -4.734 114 HD22 LEU 16 1HD2 LEU 16 -1.320 21.011 -4.269 115 HD23 LEU 16 2HD2 LEU 16 -2.763 20.237 -3.614 116 H ILE 17 H ILE 17 -3.888 17.561 -0.203 117 HA ILE 17 HA ILE 17 -2.652 15.250 0.790 118 HB ILE 17 HB ILE 17 -5.410 16.357 1.369 119 HG12 ILE 17 2HG1 ILE 17 -3.143 17.682 1.765 120 HG13 ILE 17 1HG1 ILE 17 -4.410 17.684 2.994 121 HG21 ILE 17 1HG2 ILE 17 -3.734 14.211 2.679 122 HG22 ILE 17 2HG2 ILE 17 -5.420 14.129 2.177 123 HG23 ILE 17 3HG2 ILE 17 -4.968 15.098 3.578 124 HD11 ILE 17 3HD1 ILE 17 -1.976 17.133 3.737 125 HD12 ILE 17 1HD1 ILE 17 -2.270 15.561 3.007 126 HD13 ILE 17 2HD1 ILE 17 -3.284 16.115 4.338 127 H LEU 18 H LEU 18 -5.579 15.659 -1.153 128 HA LEU 18 HA LEU 18 -6.505 13.006 -1.056 129 HB2 LEU 18 2HB LEU 18 -7.042 15.400 -2.620 130 HB3 LEU 18 1HB LEU 18 -7.155 13.938 -3.601 131 HG LEU 18 HG LEU 18 -8.494 14.213 -0.898 132 HD11 LEU 18 1HD1 LEU 18 -9.447 14.934 -3.667 133 HD12 LEU 18 2HD1 LEU 18 -9.593 15.864 -2.174 134 HD13 LEU 18 3HD1 LEU 18 -10.589 14.429 -2.422 135 HD21 LEU 18 3HD2 LEU 18 -9.682 12.444 -2.881 136 HD22 LEU 18 1HD2 LEU 18 -9.145 12.076 -1.244 137 HD23 LEU 18 2HD2 LEU 18 -7.996 12.024 -2.582 138 H THR 19 H THR 19 -4.261 14.600 -3.299 139 HA THR 19 HA THR 19 -3.882 12.455 -5.066 140 HB THR 19 HB THR 19 -1.423 13.770 -4.922 141 HG1 THR 19 1HG THR 19 -1.992 15.397 -3.668 142 HG21 THR 19 3HG2 THR 19 -3.904 14.409 -6.542 143 HG22 THR 19 1HG2 THR 19 -2.670 13.220 -6.960 144 HG23 THR 19 2HG2 THR 19 -2.267 14.937 -6.937 145 H LEU 20 H LEU 20 -2.033 13.384 -2.164 146 HA LEU 20 HA LEU 20 -0.196 11.235 -2.276 147 HB2 LEU 20 2HB LEU 20 -1.158 12.898 0.062 148 HB3 LEU 20 1HB LEU 20 0.197 11.769 0.134 149 HG LEU 20 HG LEU 20 0.207 13.778 -2.071 150 HD11 LEU 20 1HD1 LEU 20 0.488 14.404 0.855 151 HD12 LEU 20 2HD1 LEU 20 -0.298 15.346 -0.412 152 HD13 LEU 20 3HD1 LEU 20 1.463 15.283 -0.322 153 HD21 LEU 20 3HD2 LEU 20 2.421 12.911 -0.204 154 HD22 LEU 20 1HD2 LEU 20 2.567 13.571 -1.832 155 HD23 LEU 20 2HD2 LEU 20 1.943 11.938 -1.595 156 H SER 21 H SER 21 -3.327 11.623 -0.663 157 HA SER 21 HA SER 21 -3.290 9.189 0.773 158 HB2 SER 21 2HB SER 21 -4.930 10.708 1.471 159 HB3 SER 21 1HB SER 21 -5.469 11.031 -0.174 160 HG SER 21 HG SER 21 -5.689 8.501 1.089 161 H LEU 22 H LEU 22 -4.728 10.023 -2.382 162 HA LEU 22 HA LEU 22 -5.811 7.535 -3.014 163 HB2 LEU 22 2HB LEU 22 -5.237 9.987 -4.389 164 HB3 LEU 22 1HB LEU 22 -4.762 8.627 -5.406 165 HG LEU 22 HG LEU 22 -6.992 7.600 -5.048 166 HD11 LEU 22 1HD1 LEU 22 -8.145 8.281 -3.231 167 HD12 LEU 22 2HD1 LEU 22 -8.521 9.756 -4.122 168 HD13 LEU 22 3HD1 LEU 22 -7.125 9.707 -3.046 169 HD21 LEU 22 3HD2 LEU 22 -7.771 10.315 -5.908 170 HD22 LEU 22 1HD2 LEU 22 -7.862 8.787 -6.786 171 HD23 LEU 22 2HD2 LEU 22 -6.343 9.678 -6.722 172 H ILE 23 H ILE 23 -2.510 8.737 -3.413 173 HA ILE 23 HA ILE 23 -1.479 6.616 -4.940 174 HB ILE 23 HB ILE 23 -0.301 8.644 -3.079 175 HG12 ILE 23 2HG1 ILE 23 0.367 7.890 -5.938 176 HG13 ILE 23 1HG1 ILE 23 -0.883 9.062 -5.517 177 HG21 ILE 23 1HG2 ILE 23 1.962 7.600 -3.792 178 HG22 ILE 23 2HG2 ILE 23 1.031 6.138 -4.106 179 HG23 ILE 23 3HG2 ILE 23 1.079 6.825 -2.479 180 HD11 ILE 23 3HD1 ILE 23 0.633 10.666 -5.006 181 HD12 ILE 23 1HD1 ILE 23 1.781 9.664 -5.894 182 HD13 ILE 23 2HD1 ILE 23 1.669 9.530 -4.140 183 H LEU 24 H LEU 24 -1.191 7.115 -1.408 184 HA LEU 24 HA LEU 24 -0.098 4.598 -0.830 185 HB2 LEU 24 2HB LEU 24 -0.052 6.439 0.776 186 HB3 LEU 24 1HB LEU 24 -1.811 6.388 0.911 187 HG LEU 24 HG LEU 24 -0.546 3.775 1.340 188 HD11 LEU 24 1HD1 LEU 24 0.028 6.069 3.243 189 HD12 LEU 24 2HD1 LEU 24 1.224 5.155 2.323 190 HD13 LEU 24 3HD1 LEU 24 0.306 4.366 3.604 191 HD21 LEU 24 3HD2 LEU 24 -2.121 3.714 3.183 192 HD22 LEU 24 1HD2 LEU 24 -2.940 4.433 1.795 193 HD23 LEU 24 2HD2 LEU 24 -2.353 5.461 3.100 194 H VAL 25 H VAL 25 -3.400 5.629 -1.330 195 HA VAL 25 HA VAL 25 -4.665 3.329 -0.213 196 HB VAL 25 HB VAL 25 -5.617 5.345 -2.257 197 HG11 VAL 25 1HG1 VAL 25 -7.883 4.342 -1.234 198 HG12 VAL 25 2HG1 VAL 25 -6.871 2.907 -1.082 199 HG13 VAL 25 3HG1 VAL 25 -7.120 3.647 -2.663 200 HG21 VAL 25 3HG2 VAL 25 -5.133 5.601 0.468 201 HG22 VAL 25 1HG2 VAL 25 -6.859 5.253 0.394 202 HG23 VAL 25 2HG2 VAL 25 -6.199 6.632 -0.486 203 H LEU 26 H LEU 26 -3.954 4.273 -3.580 204 HA LEU 26 HA LEU 26 -4.851 1.843 -4.732 205 HB2 LEU 26 2HB LEU 26 -3.165 4.137 -5.653 206 HB3 LEU 26 1HB LEU 26 -3.213 2.666 -6.623 207 HG LEU 26 HG LEU 26 -5.802 3.813 -5.651 208 HD11 LEU 26 1HD1 LEU 26 -5.921 5.305 -7.583 209 HD12 LEU 26 2HD1 LEU 26 -4.306 4.815 -8.092 210 HD13 LEU 26 3HD1 LEU 26 -4.523 5.734 -6.602 211 HD21 LEU 26 3HD2 LEU 26 -5.367 1.605 -6.989 212 HD22 LEU 26 1HD2 LEU 26 -5.156 2.684 -8.367 213 HD23 LEU 26 2HD2 LEU 26 -6.687 2.659 -7.495 214 H ILE 27 H ILE 27 -1.686 2.957 -3.613 215 HA ILE 27 HA ILE 27 -0.187 0.751 -4.556 216 HB ILE 27 HB ILE 27 0.231 2.871 -2.485 217 HG12 ILE 27 2HG1 ILE 27 0.676 2.910 -5.096 218 HG13 ILE 27 1HG1 ILE 27 1.833 3.647 -3.988 219 HG21 ILE 27 1HG2 ILE 27 2.560 1.770 -2.202 220 HG22 ILE 27 2HG2 ILE 27 1.783 0.300 -2.791 221 HG23 ILE 27 3HG2 ILE 27 1.212 1.069 -1.310 222 HD11 ILE 27 3HD1 ILE 27 2.098 0.746 -4.753 223 HD12 ILE 27 1HD1 ILE 27 3.337 1.853 -4.159 224 HD13 ILE 27 2HD1 ILE 27 2.727 2.007 -5.806 225 H SER 28 H SER 28 -1.530 1.450 -1.325 226 HA SER 28 HA SER 28 -0.764 -0.943 -0.088 227 HB2 SER 28 2HB SER 28 -1.650 1.018 1.128 228 HB3 SER 28 1HB SER 28 -3.243 0.710 0.443 229 HG SER 28 HG SER 28 -1.913 -0.546 2.489 230 H LEU 29 H LEU 29 -3.676 -0.141 -1.939 231 HA LEU 29 HA LEU 29 -5.070 -2.549 -1.502 232 HB2 LEU 29 2HB LEU 29 -5.936 -0.375 -2.545 233 HB3 LEU 29 1HB LEU 29 -5.215 -0.943 -4.051 234 HG LEU 29 HG LEU 29 -6.577 -3.175 -3.168 235 HD11 LEU 29 1HD1 LEU 29 -7.593 -1.638 -1.400 236 HD12 LEU 29 2HD1 LEU 29 -8.747 -2.503 -2.416 237 HD13 LEU 29 3HD1 LEU 29 -8.400 -0.801 -2.725 238 HD21 LEU 29 3HD2 LEU 29 -6.551 -2.359 -5.465 239 HD22 LEU 29 1HD2 LEU 29 -7.491 -0.939 -5.006 240 HD23 LEU 29 2HD2 LEU 29 -8.226 -2.540 -4.946 241 H LEU 30 H LEU 30 -2.840 -1.577 -4.098 242 HA LEU 30 HA LEU 30 -2.995 -3.881 -5.667 243 HB2 LEU 30 2HB LEU 30 -1.632 -1.568 -5.879 244 HB3 LEU 30 1HB LEU 30 -0.323 -2.630 -5.361 245 HG LEU 30 HG LEU 30 -1.252 -4.251 -7.188 246 HD11 LEU 30 1HD1 LEU 30 -3.186 -2.366 -7.433 247 HD12 LEU 30 2HD1 LEU 30 -2.704 -3.429 -8.755 248 HD13 LEU 30 3HD1 LEU 30 -2.047 -1.795 -8.652 249 HD21 LEU 30 3HD2 LEU 30 0.162 -1.669 -7.929 250 HD22 LEU 30 1HD2 LEU 30 0.181 -3.155 -8.878 251 HD23 LEU 30 2HD2 LEU 30 0.940 -3.115 -7.286 252 H LEU 31 H LEU 31 -0.702 -3.129 -3.037 253 HA LEU 31 HA LEU 31 0.723 -5.525 -3.070 254 HB2 LEU 31 2HB LEU 31 0.892 -3.256 -1.616 255 HB3 LEU 31 1HB LEU 31 0.183 -4.334 -0.413 256 HG LEU 31 HG LEU 31 2.701 -4.880 -2.013 257 HD11 LEU 31 1HD1 LEU 31 3.795 -4.716 0.214 258 HD12 LEU 31 2HD1 LEU 31 2.251 -4.237 0.917 259 HD13 LEU 31 3HD1 LEU 31 3.041 -3.196 -0.266 260 HD21 LEU 31 3HD2 LEU 31 2.770 -6.752 -0.151 261 HD22 LEU 31 1HD2 LEU 31 1.831 -7.006 -1.622 262 HD23 LEU 31 2HD2 LEU 31 1.024 -6.513 -0.135 263 H THR 32 H THR 32 -2.277 -4.677 -1.384 264 HA THR 32 HA THR 32 -2.529 -7.094 0.074 265 HB THR 32 HB THR 32 -4.453 -4.938 -0.759 266 HG1 THR 32 1HG THR 32 -2.828 -5.362 1.250 267 HG21 THR 32 3HG2 THR 32 -5.903 -6.789 -0.834 268 HG22 THR 32 1HG2 THR 32 -6.056 -6.223 0.829 269 HG23 THR 32 2HG2 THR 32 -5.050 -7.625 0.464 270 H VAL 33 H VAL 33 -3.829 -6.046 -3.064 271 HA VAL 33 HA VAL 33 -5.377 -8.323 -3.614 272 HB VAL 33 HB VAL 33 -3.958 -6.395 -5.461 273 HG11 VAL 33 1HG1 VAL 33 -5.598 -8.830 -5.986 274 HG12 VAL 33 2HG1 VAL 33 -4.306 -8.115 -6.951 275 HG13 VAL 33 3HG1 VAL 33 -5.922 -7.412 -6.983 276 HG21 VAL 33 3HG2 VAL 33 -6.914 -6.653 -4.899 277 HG22 VAL 33 1HG2 VAL 33 -6.045 -5.279 -5.581 278 HG23 VAL 33 2HG2 VAL 33 -5.869 -5.672 -3.870 279 H LEU 34 H LEU 34 -1.995 -7.580 -4.436 280 HA LEU 34 HA LEU 34 -1.437 -9.918 -5.882 281 HB2 LEU 34 2HB LEU 34 0.370 -8.187 -4.187 282 HB3 LEU 34 1HB LEU 34 0.945 -9.446 -5.282 283 HG LEU 34 HG LEU 34 -0.945 -7.403 -6.370 284 HD11 LEU 34 1HD1 LEU 34 1.918 -6.923 -5.571 285 HD12 LEU 34 2HD1 LEU 34 0.522 -5.864 -5.373 286 HD13 LEU 34 3HD1 LEU 34 1.233 -6.095 -6.969 287 HD21 LEU 34 3HD2 LEU 34 -0.121 -9.361 -7.693 288 HD22 LEU 34 1HD2 LEU 34 1.525 -8.763 -7.491 289 HD23 LEU 34 2HD2 LEU 34 0.349 -7.816 -8.402 290 H ALA 35 H ALA 35 -0.857 -9.201 -2.435 291 HA ALA 35 HA ALA 35 0.147 -11.720 -1.717 292 HB1 ALA 35 1HB ALA 35 -0.052 -9.452 -0.379 293 HB2 ALA 35 2HB ALA 35 -0.014 -10.995 0.473 294 HB3 ALA 35 3HB ALA 35 -1.552 -10.176 0.201 295 H LEU 36 H LEU 36 -3.128 -10.570 -2.160 296 HA LEU 36 HA LEU 36 -4.420 -12.785 -0.880 297 HB2 LEU 36 2HB LEU 36 -5.204 -10.352 -2.185 298 HB3 LEU 36 1HB LEU 36 -6.132 -11.692 -2.856 299 HG LEU 36 HG LEU 36 -5.789 -11.226 0.118 300 HD11 LEU 36 1HD1 LEU 36 -7.565 -9.962 -1.850 301 HD12 LEU 36 2HD1 LEU 36 -7.203 -9.483 -0.192 302 HD13 LEU 36 3HD1 LEU 36 -8.429 -10.711 -0.506 303 HD21 LEU 36 3HD2 LEU 36 -6.920 -13.168 0.354 304 HD22 LEU 36 1HD2 LEU 36 -6.665 -13.438 -1.370 305 HD23 LEU 36 2HD2 LEU 36 -8.145 -12.662 -0.810 306 H LEU 37 H LEU 37 -3.890 -11.940 -4.306 307 HA LEU 37 HA LEU 37 -4.995 -14.278 -5.402 308 HB2 LEU 37 2HB LEU 37 -3.738 -11.967 -6.374 309 HB3 LEU 37 1HB LEU 37 -2.755 -13.308 -6.957 310 HG LEU 37 HG LEU 37 -5.765 -13.082 -7.261 311 HD11 LEU 37 1HD1 LEU 37 -3.687 -11.863 -8.732 312 HD12 LEU 37 2HD1 LEU 37 -5.384 -11.993 -9.195 313 HD13 LEU 37 3HD1 LEU 37 -4.233 -13.225 -9.709 314 HD21 LEU 37 3HD2 LEU 37 -3.788 -15.248 -7.688 315 HD22 LEU 37 1HD2 LEU 37 -4.920 -14.991 -9.016 316 HD23 LEU 37 2HD2 LEU 37 -5.525 -15.351 -7.400 317 H SER 38 H SER 38 -1.748 -13.553 -4.228 318 HA SER 38 HA SER 38 -0.461 -15.880 -5.180 319 HB2 SER 38 2HB SER 38 1.311 -14.879 -4.243 320 HB3 SER 38 1HB SER 38 0.232 -13.633 -3.625 321 HG SER 38 HG SER 38 -0.080 -14.903 -1.779 322 H HIS 39 H HIS 39 -1.986 -15.171 -2.040 323 HA HIS 39 HA HIS 39 -1.492 -17.620 -0.790 324 HB2 HIS 39 2HB HIS 39 -2.376 -15.708 0.433 325 HB3 HIS 39 1HB HIS 39 -3.871 -15.770 -0.500 326 HD2 HIS 39 2HD HIS 39 -5.320 -18.353 -0.075 327 HE1 HIS 39 1HE HIS 39 -3.626 -18.868 3.758 328 HE2 HIS 39 2HE HIS 39 -5.455 -19.658 2.183 329 H ARG 40 H ARG 40 -4.177 -16.630 -2.892 330 HA ARG 40 HA ARG 40 -5.666 -19.028 -2.673 331 HB2 ARG 40 2HB ARG 40 -5.564 -16.822 -4.719 332 HB3 ARG 40 1HB ARG 40 -6.597 -18.234 -4.945 333 HG2 ARG 40 2HG ARG 40 -7.695 -17.796 -2.788 334 HG3 ARG 40 1HG ARG 40 -6.647 -16.401 -2.529 335 HD2 ARG 40 2HD ARG 40 -8.394 -15.274 -3.482 336 HD3 ARG 40 1HD ARG 40 -7.614 -15.786 -4.975 337 HE ARG 40 HE ARG 40 -9.442 -17.145 -5.368 338 HH11 ARG 40 1HH2 ARG 40 -9.204 -16.371 -2.005 339 HH12 ARG 40 2HH2 ARG 40 -10.691 -17.150 -1.578 340 HH21 ARG 40 1HH1 ARG 40 -11.393 -18.169 -4.817 341 HH22 ARG 40 2HH1 ARG 40 -11.930 -18.169 -3.172 342 H ARG 41 H ARG 41 -3.139 -17.976 -4.921 343 HA ARG 41 HA ARG 41 -3.278 -20.180 -6.679 344 HB2 ARG 41 2HB ARG 41 -1.837 -17.847 -6.591 345 HB3 ARG 41 1HB ARG 41 -0.596 -19.056 -6.254 346 HG2 ARG 41 2HG ARG 41 -1.566 -20.353 -8.257 347 HG3 ARG 41 1HG ARG 41 -2.404 -18.856 -8.665 348 HD2 ARG 41 2HD ARG 41 0.591 -19.146 -8.304 349 HD3 ARG 41 1HD ARG 41 -0.242 -19.030 -9.851 350 HE ARG 41 HE ARG 41 -0.989 -16.805 -8.314 351 HH11 ARG 41 1HH2 ARG 41 1.814 -18.207 -9.783 352 HH12 ARG 41 2HH2 ARG 41 2.603 -16.688 -10.050 353 HH21 ARG 41 1HH1 ARG 41 0.040 -14.810 -8.661 354 HH22 ARG 41 2HH1 ARG 41 1.598 -14.765 -9.414 355 H THR 42 H THR 42 -1.412 -19.618 -3.719 356 HA THR 42 HA THR 42 0.149 -21.965 -3.816 357 HB THR 42 HB THR 42 -0.791 -20.791 -1.219 358 HG1 THR 42 1HG THR 42 0.794 -19.606 -3.217 359 HG21 THR 42 3HG2 THR 42 1.005 -22.729 -1.792 360 HG22 THR 42 1HG2 THR 42 1.161 -21.655 -0.401 361 HG23 THR 42 2HG2 THR 42 2.054 -21.313 -1.883 362 H LEU 43 H LEU 43 -3.028 -21.297 -2.384 363 HA LEU 43 HA LEU 43 -3.392 -23.806 -1.142 364 HB2 LEU 43 2HB LEU 43 -4.885 -21.427 -1.481 365 HB3 LEU 43 1HB LEU 43 -5.893 -22.745 -2.079 366 HG LEU 43 HG LEU 43 -4.489 -22.727 0.610 367 HD11 LEU 43 1HD1 LEU 43 -6.474 -21.107 0.201 368 HD12 LEU 43 2HD1 LEU 43 -6.560 -22.179 1.598 369 HD13 LEU 43 3HD1 LEU 43 -7.463 -22.565 0.134 370 HD21 LEU 43 3HD2 LEU 43 -5.575 -24.829 -0.979 371 HD22 LEU 43 1HD2 LEU 43 -6.687 -24.563 0.362 372 HD23 LEU 43 2HD2 LEU 43 -4.991 -24.923 0.682 373 H GLN 44 H GLN 44 -4.251 -22.618 -4.375 374 HA GLN 44 HA GLN 44 -5.650 -24.900 -5.248 375 HB2 GLN 44 2HB GLN 44 -4.177 -22.689 -6.652 376 HB3 GLN 44 1HB GLN 44 -4.834 -24.044 -7.567 377 HG2 GLN 44 2HG GLN 44 -6.488 -22.436 -5.612 378 HG3 GLN 44 1HG GLN 44 -6.383 -22.041 -7.326 379 HE21 GLN 44 1HE2 GLN 44 -7.903 -24.130 -5.009 380 HE22 GLN 44 2HE2 GLN 44 -8.753 -25.088 -6.124 381 H GLN 45 H GLN 45 -2.212 -24.032 -5.475 382 HA GLN 45 HA GLN 45 -1.368 -26.252 -6.982 383 HB2 GLN 45 2HB GLN 45 -0.087 -24.214 -5.261 384 HB3 GLN 45 1HB GLN 45 0.812 -25.719 -5.456 385 HG2 GLN 45 2HG GLN 45 1.421 -24.104 -7.215 386 HG3 GLN 45 1HG GLN 45 0.629 -25.518 -7.907 387 HE21 GLN 45 1HE2 GLN 45 -1.683 -25.262 -8.554 388 HE22 GLN 45 2HE2 GLN 45 -2.290 -23.716 -8.907 389 H LYS 46 H LYS 46 -1.479 -25.762 -3.455 390 HA LYS 46 HA LYS 46 -0.374 -28.127 -2.580 391 HB2 LYS 46 2HB LYS 46 -1.506 -26.078 -1.308 392 HB3 LYS 46 1HB LYS 46 -2.860 -27.205 -1.219 393 HG2 LYS 46 2HG LYS 46 -1.377 -28.913 -0.227 394 HG3 LYS 46 1HG LYS 46 -0.029 -27.778 -0.301 395 HD2 LYS 46 2HD LYS 46 -1.859 -26.253 0.996 396 HD3 LYS 46 1HD LYS 46 -2.333 -27.855 1.562 397 HE2 LYS 46 2HE LYS 46 0.069 -28.279 2.168 398 HE3 LYS 46 1HE LYS 46 0.418 -26.599 1.759 399 HZ1 LYS 46 3HZ LYS 46 -0.298 -27.408 4.192 400 HZ2 LYS 46 1HZ LYS 46 -1.822 -27.022 3.554 401 HZ3 LYS 46 2HZ LYS 46 -0.597 -25.845 3.598 402 H ILE 47 H ILE 47 -3.763 -27.547 -3.506 403 HA ILE 47 HA ILE 47 -4.460 -30.339 -3.150 404 HB ILE 47 HB ILE 47 -5.912 -27.868 -4.036 405 HG12 ILE 47 2HG1 ILE 47 -7.379 -28.508 -2.176 406 HG13 ILE 47 1HG1 ILE 47 -6.481 -30.011 -1.962 407 HG21 ILE 47 1HG2 ILE 47 -7.916 -29.492 -4.299 408 HG22 ILE 47 2HG2 ILE 47 -6.693 -30.744 -4.515 409 HG23 ILE 47 3HG2 ILE 47 -6.771 -29.383 -5.635 410 HD11 ILE 47 3HD1 ILE 47 -5.113 -27.324 -1.825 411 HD12 ILE 47 1HD1 ILE 47 -4.540 -28.876 -1.214 412 HD13 ILE 47 2HD1 ILE 47 -5.870 -28.046 -0.406 413 H TRP 48 H TRP 48 -3.456 -28.241 -5.746 414 HA TRP 48 HA TRP 48 -3.579 -30.542 -7.591 415 HB2 TRP 48 2HB TRP 48 -4.714 -27.826 -7.920 416 HB3 TRP 48 1HB TRP 48 -3.886 -28.506 -9.320 417 HD1 TRP 48 HD TRP 48 -7.188 -28.353 -7.957 418 HE1 TRP 48 1HE TRP 48 -8.655 -30.328 -8.728 419 HE3 TRP 48 3HE TRP 48 -3.577 -31.495 -9.732 420 HZ2 TRP 48 2HZ TRP 48 -8.338 -32.901 -9.936 421 HZ3 TRP 48 3HZ TRP 48 -4.185 -33.699 -10.686 422 HH2 TRP 48 HH TRP 48 -6.559 -34.406 -10.790 423 HA PRO 49 HA PRO 49 0.643 -28.633 -7.480 424 HB2 PRO 49 2HB PRO 49 2.015 -30.924 -6.923 425 HB3 PRO 49 1HB PRO 49 1.308 -29.891 -5.668 426 HG2 PRO 49 2HG PRO 49 0.341 -32.468 -6.764 427 HG3 PRO 49 1HG PRO 49 0.218 -31.818 -5.123 428 HD2 PRO 49 2HD PRO 49 -1.841 -31.829 -6.999 429 HD3 PRO 49 1HD PRO 49 -1.778 -30.773 -5.570 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -23.945 6.674 2.833 2 H2 MET 1 2HT MET 1 -22.889 5.597 2.051 3 H3 MET 1 3HT MET 1 -24.179 6.298 1.197 4 HA MET 1 HA MET 1 -23.072 8.169 0.770 5 HB2 MET 1 2HB MET 1 -22.352 7.886 3.661 6 HB3 MET 1 1HB MET 1 -21.402 8.991 2.667 7 HG2 MET 1 2HG MET 1 -24.426 9.047 2.755 8 HG3 MET 1 1HG MET 1 -23.417 10.034 3.812 9 HE1 MET 1 2HE MET 1 -24.945 11.735 2.926 10 HE2 MET 1 3HE MET 1 -24.505 12.800 1.593 11 HE3 MET 1 1HE MET 1 -23.434 12.640 2.993 12 H SER 2 H SER 2 -20.468 7.160 2.867 13 HA SER 2 HA SER 2 -18.385 6.283 2.450 14 HB2 SER 2 2HB SER 2 -20.141 4.718 0.921 15 HB3 SER 2 1HB SER 2 -18.837 5.155 -0.178 16 HG SER 2 HG SER 2 -17.611 3.827 0.874 17 H GLU 3 H GLU 3 -19.829 8.644 0.707 18 HA GLU 3 HA GLU 3 -17.306 9.610 -0.328 19 HB2 GLU 3 2HB GLU 3 -18.374 9.942 -2.650 20 HB3 GLU 3 1HB GLU 3 -17.778 8.333 -2.244 21 HG2 GLU 3 2HG GLU 3 -19.869 7.431 -2.191 22 HG3 GLU 3 1HG GLU 3 -20.573 8.866 -1.447 23 HA PRO 4 HA PRO 4 -20.584 12.733 0.887 24 HB2 PRO 4 2HB PRO 4 -19.294 13.758 3.067 25 HB3 PRO 4 1HB PRO 4 -20.405 12.378 3.154 26 HG2 PRO 4 2HG PRO 4 -17.439 12.424 3.179 27 HG3 PRO 4 1HG PRO 4 -18.562 11.362 4.040 28 HD2 PRO 4 2HD PRO 4 -17.188 10.638 1.755 29 HD3 PRO 4 1HD PRO 4 -18.701 9.880 2.292 30 H ALA 5 H ALA 5 -20.484 14.658 -0.133 31 HA ALA 5 HA ALA 5 -18.135 15.596 -1.380 32 HB1 ALA 5 1HB ALA 5 -20.295 17.551 -0.862 33 HB2 ALA 5 2HB ALA 5 -20.764 16.091 -1.731 34 HB3 ALA 5 3HB ALA 5 -19.493 17.132 -2.375 35 H SER 6 H SER 6 -19.072 15.765 1.811 36 HA SER 6 HA SER 6 -18.152 18.353 2.545 37 HB2 SER 6 2HB SER 6 -17.818 16.288 4.588 38 HB3 SER 6 1HB SER 6 -18.806 17.746 4.613 39 HG SER 6 HG SER 6 -20.351 16.638 3.379 40 H LEU 7 H LEU 7 -16.553 15.291 1.992 41 HA LEU 7 HA LEU 7 -14.142 15.760 3.344 42 HB2 LEU 7 2HB LEU 7 -15.181 13.860 1.459 43 HB3 LEU 7 1HB LEU 7 -13.558 14.341 0.969 44 HG LEU 7 HG LEU 7 -14.303 13.445 3.766 45 HD11 LEU 7 1HD1 LEU 7 -13.623 11.957 1.333 46 HD12 LEU 7 2HD1 LEU 7 -14.300 11.373 2.853 47 HD13 LEU 7 3HD1 LEU 7 -12.558 11.588 2.688 48 HD21 LEU 7 3HD2 LEU 7 -12.050 14.833 2.701 49 HD22 LEU 7 1HD2 LEU 7 -11.527 13.194 3.092 50 HD23 LEU 7 2HD2 LEU 7 -12.262 14.206 4.336 51 H LEU 8 H LEU 8 -14.951 16.332 -0.084 52 HA LEU 8 HA LEU 8 -12.492 17.616 -0.684 53 HB2 LEU 8 2HB LEU 8 -14.903 16.907 -2.080 54 HB3 LEU 8 1HB LEU 8 -14.480 18.579 -2.454 55 HG LEU 8 HG LEU 8 -12.511 16.276 -2.591 56 HD11 LEU 8 1HD1 LEU 8 -12.796 16.428 -5.035 57 HD12 LEU 8 2HD1 LEU 8 -14.053 17.645 -4.817 58 HD13 LEU 8 3HD1 LEU 8 -14.316 15.994 -4.252 59 HD21 LEU 8 3HD2 LEU 8 -10.961 17.858 -3.055 60 HD22 LEU 8 1HD2 LEU 8 -12.136 19.047 -2.494 61 HD23 LEU 8 2HD2 LEU 8 -12.027 18.657 -4.210 62 H THR 9 H THR 9 -15.605 18.753 0.438 63 HA THR 9 HA THR 9 -15.205 21.513 0.042 64 HB THR 9 HB THR 9 -16.781 20.380 2.343 65 HG1 THR 9 1HG THR 9 -17.734 20.640 -0.300 66 HG21 THR 9 3HG2 THR 9 -17.135 22.753 0.489 67 HG22 THR 9 1HG2 THR 9 -16.665 22.811 2.188 68 HG23 THR 9 2HG2 THR 9 -18.283 22.276 1.738 69 H ALA 10 H ALA 10 -13.959 19.311 2.357 70 HA ALA 10 HA ALA 10 -12.970 21.501 4.047 71 HB1 ALA 10 1HB ALA 10 -12.907 18.520 4.561 72 HB2 ALA 10 2HB ALA 10 -14.128 19.628 5.186 73 HB3 ALA 10 3HB ALA 10 -12.449 19.785 5.702 74 H SER 11 H SER 11 -12.001 19.244 1.702 75 HA SER 11 HA SER 11 -9.167 19.430 2.390 76 HB2 SER 11 2HB SER 11 -10.487 17.342 1.417 77 HB3 SER 11 1HB SER 11 -10.110 18.115 -0.119 78 HG SER 11 HG SER 11 -8.028 18.016 1.689 79 H ASP 12 H ASP 12 -11.344 21.288 0.780 80 HA ASP 12 HA ASP 12 -9.936 22.022 -1.575 81 HB2 ASP 12 2HB ASP 12 -12.380 22.490 -1.033 82 HB3 ASP 12 1HB ASP 12 -11.802 23.810 -0.017 83 H LEU 13 H LEU 13 -8.946 22.302 1.503 84 HA LEU 13 HA LEU 13 -7.484 24.830 1.017 85 HB2 LEU 13 2HB LEU 13 -7.226 24.706 3.614 86 HB3 LEU 13 1HB LEU 13 -8.745 25.278 2.924 87 HG LEU 13 HG LEU 13 -9.687 22.987 3.141 88 HD11 LEU 13 1HD1 LEU 13 -6.916 22.456 4.179 89 HD12 LEU 13 2HD1 LEU 13 -7.868 21.516 3.029 90 HD13 LEU 13 3HD1 LEU 13 -8.272 21.485 4.744 91 HD21 LEU 13 3HD2 LEU 13 -9.075 24.824 5.221 92 HD22 LEU 13 1HD2 LEU 13 -8.862 23.202 5.881 93 HD23 LEU 13 2HD2 LEU 13 -10.403 23.665 5.159 94 H ASP 14 H ASP 14 -7.111 21.605 0.879 95 HA ASP 14 HA ASP 14 -4.259 21.744 0.953 96 HB2 ASP 14 2HB ASP 14 -4.882 21.629 3.412 97 HB3 ASP 14 1HB ASP 14 -5.476 20.001 3.090 98 HA PRO 15 HA PRO 15 -6.044 18.285 -1.509 99 HB2 PRO 15 2HB PRO 15 -4.875 18.964 -3.882 100 HB3 PRO 15 1HB PRO 15 -6.421 19.632 -3.330 101 HG2 PRO 15 2HG PRO 15 -3.758 20.884 -3.431 102 HG3 PRO 15 1HG PRO 15 -5.363 21.622 -3.502 103 HD2 PRO 15 2HD PRO 15 -3.651 21.533 -1.255 104 HD3 PRO 15 1HD PRO 15 -5.354 22.041 -1.269 105 H LEU 16 H LEU 16 -2.912 19.355 -0.712 106 HA LEU 16 HA LEU 16 -1.294 17.494 -2.078 107 HB2 LEU 16 2HB LEU 16 -0.558 19.561 -0.772 108 HB3 LEU 16 1HB LEU 16 -0.719 18.575 0.680 109 HG LEU 16 HG LEU 16 0.717 16.897 -0.926 110 HD11 LEU 16 1HD1 LEU 16 1.665 19.721 -1.506 111 HD12 LEU 16 2HD1 LEU 16 0.919 18.633 -2.678 112 HD13 LEU 16 3HD1 LEU 16 2.491 18.238 -1.985 113 HD21 LEU 16 3HD2 LEU 16 1.406 17.251 1.306 114 HD22 LEU 16 1HD2 LEU 16 1.548 18.994 1.080 115 HD23 LEU 16 2HD2 LEU 16 2.736 17.912 0.354 116 H ILE 17 H ILE 17 -3.269 17.230 0.785 117 HA ILE 17 HA ILE 17 -2.099 14.796 1.749 118 HB ILE 17 HB ILE 17 -3.464 16.455 3.111 119 HG12 ILE 17 2HG1 ILE 17 -4.856 14.375 4.114 120 HG13 ILE 17 1HG1 ILE 17 -3.741 13.488 3.076 121 HG21 ILE 17 1HG2 ILE 17 -5.840 16.392 2.984 122 HG22 ILE 17 2HG2 ILE 17 -5.824 14.973 1.937 123 HG23 ILE 17 3HG2 ILE 17 -5.291 16.534 1.314 124 HD11 ILE 17 3HD1 ILE 17 -1.928 15.046 4.175 125 HD12 ILE 17 1HD1 ILE 17 -2.510 13.631 5.049 126 HD13 ILE 17 2HD1 ILE 17 -3.139 15.230 5.444 127 H LEU 18 H LEU 18 -4.865 15.619 -0.299 128 HA LEU 18 HA LEU 18 -5.919 13.001 -0.495 129 HB2 LEU 18 2HB LEU 18 -6.491 15.582 -1.585 130 HB3 LEU 18 1HB LEU 18 -6.426 14.424 -2.914 131 HG LEU 18 HG LEU 18 -8.063 14.092 -0.379 132 HD11 LEU 18 1HD1 LEU 18 -9.062 15.800 -1.753 133 HD12 LEU 18 2HD1 LEU 18 -9.979 14.317 -2.024 134 HD13 LEU 18 3HD1 LEU 18 -8.799 14.855 -3.218 135 HD21 LEU 18 3HD2 LEU 18 -7.170 12.237 -2.413 136 HD22 LEU 18 1HD2 LEU 18 -8.927 12.384 -2.462 137 HD23 LEU 18 2HD2 LEU 18 -8.123 11.914 -0.965 138 H THR 19 H THR 19 -3.410 14.711 -2.246 139 HA THR 19 HA THR 19 -3.140 12.859 -4.384 140 HB THR 19 HB THR 19 -0.936 14.583 -3.251 141 HG1 THR 19 1HG THR 19 -3.094 15.599 -3.706 142 HG21 THR 19 3HG2 THR 19 -1.301 14.321 -6.148 143 HG22 THR 19 1HG2 THR 19 -0.981 12.785 -5.346 144 HG23 THR 19 2HG2 THR 19 0.156 14.122 -5.178 145 H LEU 20 H LEU 20 -1.314 13.273 -1.347 146 HA LEU 20 HA LEU 20 0.371 11.032 -1.706 147 HB2 LEU 20 2HB LEU 20 -0.239 12.943 0.412 148 HB3 LEU 20 1HB LEU 20 0.092 11.327 1.038 149 HG LEU 20 HG LEU 20 2.204 11.249 -0.203 150 HD11 LEU 20 1HD1 LEU 20 1.042 13.682 -1.439 151 HD12 LEU 20 2HD1 LEU 20 2.132 12.481 -2.131 152 HD13 LEU 20 3HD1 LEU 20 2.770 13.756 -1.095 153 HD21 LEU 20 3HD2 LEU 20 2.693 13.868 0.915 154 HD22 LEU 20 1HD2 LEU 20 3.174 12.293 1.546 155 HD23 LEU 20 2HD2 LEU 20 1.598 12.968 1.964 156 H SER 21 H SER 21 -2.809 11.411 -0.230 157 HA SER 21 HA SER 21 -2.943 8.793 0.884 158 HB2 SER 21 2HB SER 21 -4.380 10.771 1.531 159 HB3 SER 21 1HB SER 21 -5.272 10.516 0.033 160 HG SER 21 HG SER 21 -4.993 8.176 1.264 161 H LEU 22 H LEU 22 -4.165 10.215 -2.140 162 HA LEU 22 HA LEU 22 -5.532 8.018 -3.143 163 HB2 LEU 22 2HB LEU 22 -4.206 10.396 -4.319 164 HB3 LEU 22 1HB LEU 22 -4.521 9.056 -5.421 165 HG LEU 22 HG LEU 22 -6.669 10.052 -3.558 166 HD11 LEU 22 1HD1 LEU 22 -5.988 11.116 -6.318 167 HD12 LEU 22 2HD1 LEU 22 -5.899 12.019 -4.804 168 HD13 LEU 22 3HD1 LEU 22 -7.463 11.492 -5.425 169 HD21 LEU 22 3HD2 LEU 22 -7.206 9.095 -6.315 170 HD22 LEU 22 1HD2 LEU 22 -8.051 8.725 -4.812 171 HD23 LEU 22 2HD2 LEU 22 -6.552 7.889 -5.211 172 H ILE 23 H ILE 23 -2.076 8.779 -3.357 173 HA ILE 23 HA ILE 23 -1.371 6.625 -5.042 174 HB ILE 23 HB ILE 23 0.035 8.557 -3.313 175 HG12 ILE 23 2HG1 ILE 23 1.492 8.676 -5.297 176 HG13 ILE 23 1HG1 ILE 23 0.664 7.285 -5.993 177 HG21 ILE 23 1HG2 ILE 23 1.064 6.634 -2.320 178 HG22 ILE 23 2HG2 ILE 23 2.189 7.213 -3.545 179 HG23 ILE 23 3HG2 ILE 23 1.185 5.811 -3.885 180 HD11 ILE 23 3HD1 ILE 23 -0.042 9.877 -6.480 181 HD12 ILE 23 1HD1 ILE 23 -1.115 9.484 -5.136 182 HD13 ILE 23 2HD1 ILE 23 -1.154 8.513 -6.608 183 H LEU 24 H LEU 24 -1.206 6.940 -1.488 184 HA LEU 24 HA LEU 24 -0.291 4.341 -0.975 185 HB2 LEU 24 2HB LEU 24 -1.637 6.483 0.595 186 HB3 LEU 24 1HB LEU 24 -1.662 4.856 1.273 187 HG LEU 24 HG LEU 24 0.909 6.020 0.223 188 HD11 LEU 24 1HD1 LEU 24 0.135 7.704 1.778 189 HD12 LEU 24 2HD1 LEU 24 1.361 6.740 2.601 190 HD13 LEU 24 3HD1 LEU 24 -0.348 6.473 2.946 191 HD21 LEU 24 3HD2 LEU 24 0.719 4.313 2.647 192 HD22 LEU 24 1HD2 LEU 24 1.876 4.255 1.318 193 HD23 LEU 24 2HD2 LEU 24 0.273 3.546 1.125 194 H VAL 25 H VAL 25 -3.500 5.606 -1.514 195 HA VAL 25 HA VAL 25 -4.914 3.269 -0.678 196 HB VAL 25 HB VAL 25 -5.667 5.614 -2.426 197 HG11 VAL 25 1HG1 VAL 25 -7.186 3.110 -1.725 198 HG12 VAL 25 2HG1 VAL 25 -7.074 3.938 -3.278 199 HG13 VAL 25 3HG1 VAL 25 -8.044 4.630 -1.978 200 HG21 VAL 25 3HG2 VAL 25 -5.469 5.277 0.349 201 HG22 VAL 25 1HG2 VAL 25 -7.191 5.111 0.007 202 HG23 VAL 25 2HG2 VAL 25 -6.330 6.567 -0.488 203 H LEU 26 H LEU 26 -4.103 4.553 -3.911 204 HA LEU 26 HA LEU 26 -5.120 2.430 -5.413 205 HB2 LEU 26 2HB LEU 26 -2.885 4.391 -5.893 206 HB3 LEU 26 1HB LEU 26 -3.281 3.147 -7.077 207 HG LEU 26 HG LEU 26 -5.530 4.770 -5.969 208 HD11 LEU 26 1HD1 LEU 26 -5.125 6.534 -7.653 209 HD12 LEU 26 2HD1 LEU 26 -3.599 5.766 -8.088 210 HD13 LEU 26 3HD1 LEU 26 -3.809 6.463 -6.481 211 HD21 LEU 26 3HD2 LEU 26 -5.775 2.857 -7.613 212 HD22 LEU 26 1HD2 LEU 26 -4.892 3.836 -8.784 213 HD23 LEU 26 2HD2 LEU 26 -6.451 4.386 -8.171 214 H ILE 27 H ILE 27 -1.888 2.871 -4.003 215 HA ILE 27 HA ILE 27 -0.805 0.448 -5.026 216 HB ILE 27 HB ILE 27 -0.027 2.373 -2.861 217 HG12 ILE 27 2HG1 ILE 27 1.478 1.315 -5.273 218 HG13 ILE 27 1HG1 ILE 27 0.449 2.746 -5.324 219 HG21 ILE 27 1HG2 ILE 27 1.000 -0.426 -3.295 220 HG22 ILE 27 2HG2 ILE 27 0.662 0.409 -1.777 221 HG23 ILE 27 3HG2 ILE 27 2.089 0.831 -2.720 222 HD11 ILE 27 3HD1 ILE 27 2.656 3.567 -4.940 223 HD12 ILE 27 1HD1 ILE 27 2.982 2.331 -3.724 224 HD13 ILE 27 2HD1 ILE 27 1.855 3.640 -3.373 225 H SER 28 H SER 28 -2.049 1.332 -1.795 226 HA SER 28 HA SER 28 -1.755 -1.123 -0.541 227 HB2 SER 28 2HB SER 28 -3.831 1.040 -0.228 228 HB3 SER 28 1HB SER 28 -3.817 -0.394 0.796 229 HG SER 28 HG SER 28 -1.859 1.625 0.513 230 H LEU 29 H LEU 29 -4.231 -0.050 -2.784 231 HA LEU 29 HA LEU 29 -5.996 -2.242 -2.411 232 HB2 LEU 29 2HB LEU 29 -5.952 0.124 -3.956 233 HB3 LEU 29 1HB LEU 29 -6.108 -1.206 -5.101 234 HG LEU 29 HG LEU 29 -8.325 -0.459 -4.365 235 HD11 LEU 29 1HD1 LEU 29 -7.353 -3.073 -4.340 236 HD12 LEU 29 2HD1 LEU 29 -9.050 -2.598 -4.396 237 HD13 LEU 29 3HD1 LEU 29 -8.282 -2.950 -2.847 238 HD21 LEU 29 3HD2 LEU 29 -8.218 -1.434 -1.641 239 HD22 LEU 29 1HD2 LEU 29 -8.719 0.153 -2.229 240 HD23 LEU 29 2HD2 LEU 29 -7.019 -0.164 -1.879 241 H LEU 30 H LEU 30 -3.610 -1.564 -4.976 242 HA LEU 30 HA LEU 30 -3.886 -3.963 -6.371 243 HB2 LEU 30 2HB LEU 30 -2.319 -1.725 -6.627 244 HB3 LEU 30 1HB LEU 30 -1.133 -2.954 -6.190 245 HG LEU 30 HG LEU 30 -2.162 -4.435 -7.974 246 HD11 LEU 30 1HD1 LEU 30 -3.206 -2.309 -9.590 247 HD12 LEU 30 2HD1 LEU 30 -4.049 -2.297 -8.042 248 HD13 LEU 30 3HD1 LEU 30 -4.033 -3.760 -9.024 249 HD21 LEU 30 3HD2 LEU 30 -0.086 -3.424 -8.512 250 HD22 LEU 30 1HD2 LEU 30 -0.804 -1.818 -8.626 251 HD23 LEU 30 2HD2 LEU 30 -1.136 -3.021 -9.871 252 H LEU 31 H LEU 31 -1.909 -3.166 -3.548 253 HA LEU 31 HA LEU 31 -0.392 -5.505 -3.418 254 HB2 LEU 31 2HB LEU 31 -0.686 -3.227 -1.857 255 HB3 LEU 31 1HB LEU 31 -1.238 -4.522 -0.798 256 HG LEU 31 HG LEU 31 1.166 -4.200 -0.528 257 HD11 LEU 31 1HD1 LEU 31 -0.084 -6.575 -0.851 258 HD12 LEU 31 2HD1 LEU 31 1.631 -6.444 -0.460 259 HD13 LEU 31 3HD1 LEU 31 1.127 -6.705 -2.127 260 HD21 LEU 31 3HD2 LEU 31 2.568 -3.809 -2.263 261 HD22 LEU 31 1HD2 LEU 31 1.125 -3.661 -3.264 262 HD23 LEU 31 2HD2 LEU 31 1.961 -5.208 -3.151 263 H THR 32 H THR 32 -3.520 -4.776 -1.891 264 HA THR 32 HA THR 32 -3.873 -7.255 -0.626 265 HB THR 32 HB THR 32 -6.223 -5.802 -1.771 266 HG1 THR 32 1HG THR 32 -5.957 -4.247 -0.118 267 HG21 THR 32 3HG2 THR 32 -7.280 -6.514 0.186 268 HG22 THR 32 1HG2 THR 32 -5.765 -6.617 1.083 269 HG23 THR 32 2HG2 THR 32 -6.160 -7.841 -0.123 270 H VAL 33 H VAL 33 -4.693 -6.169 -3.895 271 HA VAL 33 HA VAL 33 -6.120 -8.469 -4.698 272 HB VAL 33 HB VAL 33 -4.485 -6.522 -6.344 273 HG11 VAL 33 1HG1 VAL 33 -6.501 -7.506 -7.940 274 HG12 VAL 33 2HG1 VAL 33 -6.023 -8.936 -7.025 275 HG13 VAL 33 3HG1 VAL 33 -4.826 -8.058 -7.978 276 HG21 VAL 33 3HG2 VAL 33 -7.218 -6.124 -6.764 277 HG22 VAL 33 1HG2 VAL 33 -6.159 -5.106 -5.786 278 HG23 VAL 33 2HG2 VAL 33 -7.093 -6.394 -5.027 279 H LEU 34 H LEU 34 -2.685 -7.608 -5.094 280 HA LEU 34 HA LEU 34 -1.929 -9.988 -6.424 281 HB2 LEU 34 2HB LEU 34 -0.345 -8.093 -4.697 282 HB3 LEU 34 1HB LEU 34 0.370 -9.357 -5.700 283 HG LEU 34 HG LEU 34 -1.551 -7.485 -7.019 284 HD11 LEU 34 1HD1 LEU 34 -0.202 -5.899 -5.777 285 HD12 LEU 34 2HD1 LEU 34 0.350 -5.894 -7.452 286 HD13 LEU 34 3HD1 LEU 34 1.280 -6.747 -6.220 287 HD21 LEU 34 3HD2 LEU 34 -0.305 -9.485 -8.067 288 HD22 LEU 34 1HD2 LEU 34 1.144 -8.486 -7.959 289 HD23 LEU 34 2HD2 LEU 34 -0.225 -7.954 -8.937 290 H ALA 35 H ALA 35 -1.665 -9.023 -2.999 291 HA ALA 35 HA ALA 35 -0.543 -11.385 -2.011 292 HB1 ALA 35 1HB ALA 35 -0.825 -9.243 -0.732 293 HB2 ALA 35 2HB ALA 35 -1.317 -10.681 0.165 294 HB3 ALA 35 3HB ALA 35 -2.537 -9.631 -0.559 295 H LEU 36 H LEU 36 -3.824 -10.592 -2.884 296 HA LEU 36 HA LEU 36 -5.072 -12.827 -1.599 297 HB2 LEU 36 2HB LEU 36 -5.880 -10.763 -3.581 298 HB3 LEU 36 1HB LEU 36 -6.816 -12.258 -3.561 299 HG LEU 36 HG LEU 36 -6.195 -10.897 -0.958 300 HD11 LEU 36 1HD1 LEU 36 -7.128 -9.014 -1.936 301 HD12 LEU 36 2HD1 LEU 36 -8.590 -9.845 -1.408 302 HD13 LEU 36 3HD1 LEU 36 -8.072 -9.954 -3.091 303 HD21 LEU 36 3HD2 LEU 36 -7.401 -13.213 -1.454 304 HD22 LEU 36 1HD2 LEU 36 -8.793 -12.170 -1.747 305 HD23 LEU 36 2HD2 LEU 36 -7.991 -12.151 -0.175 306 H LEU 37 H LEU 37 -4.009 -12.221 -4.937 307 HA LEU 37 HA LEU 37 -4.784 -14.764 -5.935 308 HB2 LEU 37 2HB LEU 37 -3.598 -12.391 -6.964 309 HB3 LEU 37 1HB LEU 37 -2.550 -13.742 -7.399 310 HG LEU 37 HG LEU 37 -5.547 -13.659 -7.860 311 HD11 LEU 37 1HD1 LEU 37 -3.206 -13.259 -9.745 312 HD12 LEU 37 2HD1 LEU 37 -4.436 -12.068 -9.325 313 HD13 LEU 37 3HD1 LEU 37 -4.873 -13.492 -10.270 314 HD21 LEU 37 3HD2 LEU 37 -3.657 -15.802 -7.790 315 HD22 LEU 37 1HD2 LEU 37 -4.122 -15.552 -9.472 316 HD23 LEU 37 2HD2 LEU 37 -5.358 -15.870 -8.254 317 H SER 38 H SER 38 -1.747 -13.487 -4.630 318 HA SER 38 HA SER 38 -0.076 -15.658 -5.170 319 HB2 SER 38 2HB SER 38 1.171 -13.949 -4.315 320 HB3 SER 38 1HB SER 38 -0.105 -13.430 -3.217 321 HG SER 38 HG SER 38 1.556 -14.357 -2.028 322 H HIS 39 H HIS 39 -2.189 -15.058 -2.374 323 HA HIS 39 HA HIS 39 -1.492 -17.446 -0.991 324 HB2 HIS 39 2HB HIS 39 -2.854 -15.204 -0.309 325 HB3 HIS 39 1HB HIS 39 -4.194 -16.324 -0.560 326 HD2 HIS 39 2HD HIS 39 -4.673 -17.871 1.669 327 HE1 HIS 39 1HE HIS 39 -0.848 -17.603 3.433 328 HE2 HIS 39 2HE HIS 39 -3.195 -18.530 3.718 329 H ARG 40 H ARG 40 -4.166 -16.587 -3.167 330 HA ARG 40 HA ARG 40 -5.587 -19.008 -2.974 331 HB2 ARG 40 2HB ARG 40 -5.536 -16.680 -4.771 332 HB3 ARG 40 1HB ARG 40 -6.067 -18.177 -5.540 333 HG2 ARG 40 2HG ARG 40 -7.736 -18.516 -3.764 334 HG3 ARG 40 1HG ARG 40 -7.196 -17.040 -2.963 335 HD2 ARG 40 2HD ARG 40 -7.676 -16.134 -5.505 336 HD3 ARG 40 1HD ARG 40 -8.914 -17.375 -5.337 337 HE ARG 40 HE ARG 40 -8.938 -14.832 -4.088 338 HH11 ARG 40 1HH2 ARG 40 -9.538 -18.187 -3.486 339 HH12 ARG 40 2HH2 ARG 40 -10.730 -17.896 -2.262 340 HH21 ARG 40 1HH1 ARG 40 -10.499 -14.444 -2.485 341 HH22 ARG 40 2HH1 ARG 40 -11.273 -15.777 -1.696 342 H ARG 41 H ARG 41 -2.879 -18.021 -5.014 343 HA ARG 41 HA ARG 41 -2.894 -20.306 -6.702 344 HB2 ARG 41 2HB ARG 41 -1.084 -18.036 -6.153 345 HB3 ARG 41 1HB ARG 41 -0.295 -19.500 -6.739 346 HG2 ARG 41 2HG ARG 41 -2.766 -18.416 -8.089 347 HG3 ARG 41 1HG ARG 41 -1.161 -17.815 -8.505 348 HD2 ARG 41 2HD ARG 41 -1.361 -20.755 -8.398 349 HD3 ARG 41 1HD ARG 41 -2.343 -20.008 -9.652 350 HE ARG 41 HE ARG 41 0.338 -18.971 -9.598 351 HH11 ARG 41 1HH2 ARG 41 -1.704 -21.565 -10.634 352 HH12 ARG 41 2HH2 ARG 41 -0.695 -22.011 -11.970 353 HH21 ARG 41 1HH1 ARG 41 1.666 -19.549 -11.348 354 HH22 ARG 41 2HH1 ARG 41 1.213 -20.869 -12.374 355 H THR 42 H THR 42 -1.063 -19.491 -3.762 356 HA THR 42 HA THR 42 0.522 -21.798 -3.638 357 HB THR 42 HB THR 42 -0.118 -21.089 -0.986 358 HG1 THR 42 1HG THR 42 -0.603 -19.057 -1.048 359 HG21 THR 42 3HG2 THR 42 2.126 -19.997 -1.103 360 HG22 THR 42 1HG2 THR 42 2.093 -20.194 -2.855 361 HG23 THR 42 2HG2 THR 42 2.115 -21.614 -1.809 362 H LEU 43 H LEU 43 -2.735 -21.160 -2.389 363 HA LEU 43 HA LEU 43 -3.067 -23.602 -1.016 364 HB2 LEU 43 2HB LEU 43 -4.618 -21.311 -1.521 365 HB3 LEU 43 1HB LEU 43 -5.549 -22.664 -2.166 366 HG LEU 43 HG LEU 43 -4.380 -22.493 0.628 367 HD11 LEU 43 1HD1 LEU 43 -6.713 -22.336 1.349 368 HD12 LEU 43 2HD1 LEU 43 -7.260 -22.445 -0.324 369 HD13 LEU 43 3HD1 LEU 43 -6.357 -21.030 0.218 370 HD21 LEU 43 3HD2 LEU 43 -4.519 -24.751 0.535 371 HD22 LEU 43 1HD2 LEU 43 -5.383 -24.706 -1.002 372 HD23 LEU 43 2HD2 LEU 43 -6.269 -24.535 0.514 373 H GLN 44 H GLN 44 -3.933 -22.636 -4.329 374 HA GLN 44 HA GLN 44 -5.151 -25.023 -5.133 375 HB2 GLN 44 2HB GLN 44 -5.130 -22.859 -6.413 376 HB3 GLN 44 1HB GLN 44 -3.466 -23.216 -6.878 377 HG2 GLN 44 2HG GLN 44 -4.843 -24.005 -8.671 378 HG3 GLN 44 1HG GLN 44 -4.328 -25.438 -7.785 379 HE21 GLN 44 1HE2 GLN 44 -6.204 -26.718 -8.300 380 HE22 GLN 44 2HE2 GLN 44 -7.749 -26.335 -7.713 381 H GLN 45 H GLN 45 -1.746 -24.042 -5.169 382 HA GLN 45 HA GLN 45 -0.855 -26.490 -6.398 383 HB2 GLN 45 2HB GLN 45 0.448 -24.483 -6.743 384 HB3 GLN 45 1HB GLN 45 0.642 -24.260 -5.005 385 HG2 GLN 45 2HG GLN 45 1.497 -26.892 -6.080 386 HG3 GLN 45 1HG GLN 45 2.485 -25.509 -6.544 387 HE21 GLN 45 1HE2 GLN 45 3.610 -24.333 -4.828 388 HE22 GLN 45 2HE2 GLN 45 3.783 -24.999 -3.276 389 H LYS 46 H LYS 46 -1.447 -25.373 -3.169 390 HA LYS 46 HA LYS 46 0.192 -27.261 -1.799 391 HB2 LYS 46 2HB LYS 46 -0.660 -25.177 -0.753 392 HB3 LYS 46 1HB LYS 46 -2.295 -25.836 -0.823 393 HG2 LYS 46 2HG LYS 46 -1.952 -27.005 1.068 394 HG3 LYS 46 1HG LYS 46 -0.532 -27.780 0.365 395 HD2 LYS 46 2HD LYS 46 0.861 -25.867 1.002 396 HD3 LYS 46 1HD LYS 46 -0.553 -25.033 1.648 397 HE2 LYS 46 2HE LYS 46 0.089 -27.782 2.654 398 HE3 LYS 46 1HE LYS 46 1.024 -26.414 3.257 399 HZ1 LYS 46 3HZ LYS 46 -0.660 -25.821 4.542 400 HZ2 LYS 46 1HZ LYS 46 -1.496 -27.220 4.073 401 HZ3 LYS 46 2HZ LYS 46 -1.725 -25.769 3.219 402 H ILE 47 H ILE 47 -3.169 -27.236 -2.888 403 HA ILE 47 HA ILE 47 -3.778 -29.780 -1.663 404 HB ILE 47 HB ILE 47 -5.307 -28.200 -3.748 405 HG12 ILE 47 2HG1 ILE 47 -5.811 -28.375 -0.768 406 HG13 ILE 47 1HG1 ILE 47 -4.838 -27.091 -1.488 407 HG21 ILE 47 1HG2 ILE 47 -6.166 -30.452 -1.898 408 HG22 ILE 47 2HG2 ILE 47 -5.956 -30.590 -3.644 409 HG23 ILE 47 3HG2 ILE 47 -7.226 -29.560 -2.988 410 HD11 ILE 47 3HD1 ILE 47 -7.624 -27.716 -2.477 411 HD12 ILE 47 1HD1 ILE 47 -6.673 -26.253 -2.740 412 HD13 ILE 47 2HD1 ILE 47 -7.341 -26.597 -1.143 413 H TRP 48 H TRP 48 -3.560 -28.648 -5.048 414 HA TRP 48 HA TRP 48 -2.999 -31.435 -5.823 415 HB2 TRP 48 2HB TRP 48 -4.329 -29.152 -7.240 416 HB3 TRP 48 1HB TRP 48 -3.565 -30.438 -8.173 417 HD1 TRP 48 HD TRP 48 -4.330 -33.035 -7.215 418 HE1 TRP 48 1HE TRP 48 -6.726 -33.825 -6.705 419 HE3 TRP 48 3HE TRP 48 -6.634 -28.518 -6.621 420 HZ2 TRP 48 2HZ TRP 48 -9.287 -32.690 -6.121 421 HZ3 TRP 48 3HZ TRP 48 -9.052 -28.402 -6.089 422 HH2 TRP 48 HH TRP 48 -10.379 -30.481 -5.838 423 HA PRO 49 HA PRO 49 1.216 -30.782 -6.955 424 HB2 PRO 49 2HB PRO 49 0.377 -31.418 -9.753 425 HB3 PRO 49 1HB PRO 49 1.697 -32.103 -8.789 426 HG2 PRO 49 2HG PRO 49 -0.681 -33.347 -9.221 427 HG3 PRO 49 1HG PRO 49 0.353 -33.639 -7.814 428 HD2 PRO 49 2HD PRO 49 -2.255 -32.352 -7.924 429 HD3 PRO 49 1HD PRO 49 -1.321 -32.862 -6.504 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -14.115 8.777 21.257 2 H2 MET 1 2HT MET 1 -13.914 7.463 20.196 3 H3 MET 1 3HT MET 1 -13.577 9.044 19.670 4 HA MET 1 HA MET 1 -12.111 8.048 21.994 5 HB2 MET 1 2HB MET 1 -11.455 7.285 19.133 6 HB3 MET 1 1HB MET 1 -10.473 6.930 20.553 7 HG2 MET 1 2HG MET 1 -11.625 4.995 20.713 8 HG3 MET 1 1HG MET 1 -12.999 5.972 21.236 9 HE1 MET 1 2HE MET 1 -14.965 3.755 19.061 10 HE2 MET 1 3HE MET 1 -15.344 5.223 19.959 11 HE3 MET 1 1HE MET 1 -14.224 4.031 20.635 12 H SER 2 H SER 2 -9.768 8.485 20.035 13 HA SER 2 HA SER 2 -9.943 11.406 19.726 14 HB2 SER 2 2HB SER 2 -8.647 10.297 21.879 15 HB3 SER 2 1HB SER 2 -7.340 10.473 20.712 16 HG SER 2 HG SER 2 -8.128 12.672 20.432 17 H GLU 3 H GLU 3 -9.915 9.015 17.922 18 HA GLU 3 HA GLU 3 -7.712 9.937 16.200 19 HB2 GLU 3 2HB GLU 3 -7.447 7.456 15.540 20 HB3 GLU 3 1HB GLU 3 -6.733 7.979 17.066 21 HG2 GLU 3 2HG GLU 3 -8.404 6.962 18.350 22 HG3 GLU 3 1HG GLU 3 -9.551 6.935 17.012 23 HA PRO 4 HA PRO 4 -11.932 9.308 14.166 24 HB2 PRO 4 2HB PRO 4 -12.332 11.939 13.489 25 HB3 PRO 4 1HB PRO 4 -12.917 11.209 14.996 26 HG2 PRO 4 2HG PRO 4 -10.534 12.920 14.523 27 HG3 PRO 4 1HG PRO 4 -11.645 12.882 15.902 28 HD2 PRO 4 2HD PRO 4 -9.176 11.735 15.966 29 HD3 PRO 4 1HD PRO 4 -10.545 11.145 16.931 30 H ALA 5 H ALA 5 -11.880 8.742 12.061 31 HA ALA 5 HA ALA 5 -9.604 9.147 10.440 32 HB1 ALA 5 1HB ALA 5 -10.609 7.684 9.031 33 HB2 ALA 5 2HB ALA 5 -12.130 8.578 9.033 34 HB3 ALA 5 3HB ALA 5 -11.757 7.470 10.353 35 H SER 6 H SER 6 -11.964 11.319 11.296 36 HA SER 6 HA SER 6 -12.343 12.703 8.819 37 HB2 SER 6 2HB SER 6 -13.105 13.064 11.629 38 HB3 SER 6 1HB SER 6 -12.794 14.575 10.781 39 HG SER 6 HG SER 6 -14.337 14.058 9.303 40 H LEU 7 H LEU 7 -9.971 12.812 11.386 41 HA LEU 7 HA LEU 7 -8.816 15.299 11.041 42 HB2 LEU 7 2HB LEU 7 -8.151 12.939 12.378 43 HB3 LEU 7 1HB LEU 7 -6.781 13.246 11.310 44 HG LEU 7 HG LEU 7 -7.998 15.272 13.212 45 HD11 LEU 7 1HD1 LEU 7 -5.304 14.747 13.841 46 HD12 LEU 7 2HD1 LEU 7 -6.043 13.166 13.586 47 HD13 LEU 7 3HD1 LEU 7 -6.722 14.275 14.778 48 HD21 LEU 7 3HD2 LEU 7 -5.427 16.047 12.427 49 HD22 LEU 7 1HD2 LEU 7 -6.944 16.753 11.866 50 HD23 LEU 7 2HD2 LEU 7 -6.176 15.461 10.942 51 H LEU 8 H LEU 8 -8.075 12.301 9.259 52 HA LEU 8 HA LEU 8 -6.230 13.608 7.482 53 HB2 LEU 8 2HB LEU 8 -7.596 10.953 7.029 54 HB3 LEU 8 1HB LEU 8 -6.040 11.497 6.398 55 HG LEU 8 HG LEU 8 -5.823 11.778 9.179 56 HD11 LEU 8 1HD1 LEU 8 -6.388 9.487 9.979 57 HD12 LEU 8 2HD1 LEU 8 -7.147 9.154 8.422 58 HD13 LEU 8 3HD1 LEU 8 -7.818 10.393 9.483 59 HD21 LEU 8 3HD2 LEU 8 -4.020 11.091 7.690 60 HD22 LEU 8 1HD2 LEU 8 -4.873 9.599 7.293 61 HD23 LEU 8 2HD2 LEU 8 -4.241 9.847 8.920 62 H THR 9 H THR 9 -9.575 12.431 7.217 63 HA THR 9 HA THR 9 -10.002 13.021 4.517 64 HB THR 9 HB THR 9 -12.195 13.440 6.510 65 HG1 THR 9 1HG THR 9 -12.126 11.425 7.150 66 HG21 THR 9 3HG2 THR 9 -12.222 11.664 4.091 67 HG22 THR 9 1HG2 THR 9 -12.304 13.414 3.886 68 HG23 THR 9 2HG2 THR 9 -13.545 12.577 4.818 69 H ALA 10 H ALA 10 -9.541 15.120 7.176 70 HA ALA 10 HA ALA 10 -10.853 17.384 5.862 71 HB1 ALA 10 1HB ALA 10 -10.568 18.562 7.891 72 HB2 ALA 10 2HB ALA 10 -9.293 17.472 8.440 73 HB3 ALA 10 3HB ALA 10 -10.967 16.916 8.383 74 H SER 11 H SER 11 -7.624 16.422 7.010 75 HA SER 11 HA SER 11 -6.243 18.703 6.100 76 HB2 SER 11 2HB SER 11 -5.083 17.314 7.616 77 HB3 SER 11 1HB SER 11 -5.397 15.866 6.663 78 HG SER 11 HG SER 11 -4.129 17.025 4.979 79 H ASP 12 H ASP 12 -7.738 16.199 4.372 80 HA ASP 12 HA ASP 12 -6.031 15.983 2.123 81 HB2 ASP 12 2HB ASP 12 -8.907 15.384 2.677 82 HB3 ASP 12 1HB ASP 12 -8.353 15.398 1.004 83 H LEU 13 H LEU 13 -7.515 18.668 3.279 84 HA LEU 13 HA LEU 13 -8.694 19.880 1.032 85 HB2 LEU 13 2HB LEU 13 -8.415 21.971 2.213 86 HB3 LEU 13 1HB LEU 13 -8.844 20.724 3.384 87 HG LEU 13 HG LEU 13 -6.098 20.537 3.329 88 HD11 LEU 13 1HD1 LEU 13 -6.178 22.665 1.898 89 HD12 LEU 13 2HD1 LEU 13 -5.153 22.724 3.332 90 HD13 LEU 13 3HD1 LEU 13 -6.742 23.492 3.351 91 HD21 LEU 13 3HD2 LEU 13 -6.223 21.739 5.512 92 HD22 LEU 13 1HD2 LEU 13 -7.504 20.540 5.337 93 HD23 LEU 13 2HD2 LEU 13 -7.862 22.252 5.109 94 H ASP 14 H ASP 14 -5.366 19.385 1.919 95 HA ASP 14 HA ASP 14 -4.390 21.268 -0.093 96 HB2 ASP 14 2HB ASP 14 -3.312 19.978 2.267 97 HB3 ASP 14 1HB ASP 14 -2.237 19.771 0.884 98 HA PRO 15 HA PRO 15 -3.959 18.319 -3.314 99 HB2 PRO 15 2HB PRO 15 -1.682 19.237 -4.538 100 HB3 PRO 15 1HB PRO 15 -3.263 20.027 -4.684 101 HG2 PRO 15 2HG PRO 15 -0.951 20.729 -2.942 102 HG3 PRO 15 1HG PRO 15 -2.038 21.788 -3.856 103 HD2 PRO 15 2HD PRO 15 -2.328 21.399 -1.165 104 HD3 PRO 15 1HD PRO 15 -3.711 21.700 -2.239 105 H LEU 16 H LEU 16 -0.954 19.031 -1.544 106 HA LEU 16 HA LEU 16 0.528 16.780 -2.274 107 HB2 LEU 16 2HB LEU 16 0.707 18.876 -0.319 108 HB3 LEU 16 1HB LEU 16 1.113 17.336 0.437 109 HG LEU 16 HG LEU 16 3.111 18.400 -0.564 110 HD11 LEU 16 1HD1 LEU 16 2.846 16.219 -2.473 111 HD12 LEU 16 2HD1 LEU 16 2.230 15.762 -0.884 112 HD13 LEU 16 3HD1 LEU 16 3.889 16.340 -1.056 113 HD21 LEU 16 3HD2 LEU 16 2.349 17.873 -3.336 114 HD22 LEU 16 1HD2 LEU 16 3.080 19.316 -2.633 115 HD23 LEU 16 2HD2 LEU 16 1.330 19.105 -2.591 116 H ILE 17 H ILE 17 -1.681 17.228 0.482 117 HA ILE 17 HA ILE 17 -1.368 14.645 1.575 118 HB ILE 17 HB ILE 17 -3.798 16.449 1.702 119 HG12 ILE 17 2HG1 ILE 17 -1.393 17.282 2.423 120 HG13 ILE 17 1HG1 ILE 17 -2.784 17.586 3.465 121 HG21 ILE 17 1HG2 ILE 17 -2.858 14.043 3.264 122 HG22 ILE 17 2HG2 ILE 17 -4.437 14.329 2.536 123 HG23 ILE 17 3HG2 ILE 17 -3.957 15.224 3.978 124 HD11 ILE 17 3HD1 ILE 17 -0.639 16.564 4.535 125 HD12 ILE 17 1HD1 ILE 17 -1.167 15.064 3.774 126 HD13 ILE 17 2HD1 ILE 17 -2.202 15.864 4.956 127 H LEU 18 H LEU 18 -3.642 15.945 -0.814 128 HA LEU 18 HA LEU 18 -5.279 13.671 -1.069 129 HB2 LEU 18 2HB LEU 18 -4.700 16.084 -2.694 130 HB3 LEU 18 1HB LEU 18 -5.403 14.711 -3.552 131 HG LEU 18 HG LEU 18 -6.601 15.499 -0.926 132 HD11 LEU 18 1HD1 LEU 18 -8.135 17.039 -2.300 133 HD12 LEU 18 2HD1 LEU 18 -6.872 17.013 -3.529 134 HD13 LEU 18 3HD1 LEU 18 -6.527 17.656 -1.924 135 HD21 LEU 18 3HD2 LEU 18 -8.503 14.448 -1.794 136 HD22 LEU 18 1HD2 LEU 18 -7.208 13.511 -2.538 137 HD23 LEU 18 2HD2 LEU 18 -8.036 14.763 -3.464 138 H THR 19 H THR 19 -2.285 14.597 -2.728 139 HA THR 19 HA THR 19 -2.224 12.458 -4.571 140 HB THR 19 HB THR 19 0.438 13.135 -3.861 141 HG1 THR 19 1HG THR 19 0.012 15.503 -4.216 142 HG21 THR 19 3HG2 THR 19 -0.492 12.682 -6.125 143 HG22 THR 19 1HG2 THR 19 0.417 14.191 -6.064 144 HG23 THR 19 2HG2 THR 19 -1.345 14.224 -6.056 145 H LEU 20 H LEU 20 -0.773 12.826 -1.343 146 HA LEU 20 HA LEU 20 0.475 10.289 -1.268 147 HB2 LEU 20 2HB LEU 20 0.006 12.496 0.555 148 HB3 LEU 20 1HB LEU 20 -0.183 10.943 1.369 149 HG LEU 20 HG LEU 20 2.013 10.221 0.455 150 HD11 LEU 20 1HD1 LEU 20 3.162 12.702 -0.243 151 HD12 LEU 20 2HD1 LEU 20 1.630 12.623 -1.116 152 HD13 LEU 20 3HD1 LEU 20 2.828 11.345 -1.321 153 HD21 LEU 20 3HD2 LEU 20 1.960 11.202 2.683 154 HD22 LEU 20 1HD2 LEU 20 1.985 12.830 2.005 155 HD23 LEU 20 2HD2 LEU 20 3.398 11.786 1.845 156 H SER 21 H SER 21 -2.718 11.413 -0.219 157 HA SER 21 HA SER 21 -3.554 9.006 1.004 158 HB2 SER 21 2HB SER 21 -4.938 11.419 -0.089 159 HB3 SER 21 1HB SER 21 -5.897 9.995 0.304 160 HG SER 21 HG SER 21 -5.300 11.739 1.989 161 H LEU 22 H LEU 22 -4.277 10.303 -2.243 162 HA LEU 22 HA LEU 22 -5.687 8.092 -3.212 163 HB2 LEU 22 2HB LEU 22 -4.220 10.374 -4.427 164 HB3 LEU 22 1HB LEU 22 -4.555 8.995 -5.475 165 HG LEU 22 HG LEU 22 -6.756 10.059 -3.739 166 HD11 LEU 22 1HD1 LEU 22 -6.090 12.108 -4.714 167 HD12 LEU 22 2HD1 LEU 22 -7.342 11.510 -5.803 168 HD13 LEU 22 3HD1 LEU 22 -5.642 11.338 -6.236 169 HD21 LEU 22 3HD2 LEU 22 -6.607 8.828 -6.512 170 HD22 LEU 22 1HD2 LEU 22 -8.098 9.296 -5.695 171 HD23 LEU 22 2HD2 LEU 22 -7.101 8.002 -5.033 172 H ILE 23 H ILE 23 -2.225 8.709 -3.027 173 HA ILE 23 HA ILE 23 -1.356 6.591 -4.681 174 HB ILE 23 HB ILE 23 -0.123 8.283 -2.555 175 HG12 ILE 23 2HG1 ILE 23 0.963 7.514 -5.263 176 HG13 ILE 23 1HG1 ILE 23 -0.298 8.736 -5.108 177 HG21 ILE 23 1HG2 ILE 23 2.015 6.892 -2.978 178 HG22 ILE 23 2HG2 ILE 23 0.920 5.622 -3.524 179 HG23 ILE 23 3HG2 ILE 23 0.819 6.223 -1.868 180 HD11 ILE 23 3HD1 ILE 23 1.981 9.737 -5.116 181 HD12 ILE 23 1HD1 ILE 23 2.367 8.813 -3.665 182 HD13 ILE 23 2HD1 ILE 23 1.117 10.055 -3.612 183 H LEU 24 H LEU 24 -1.396 6.756 -1.110 184 HA LEU 24 HA LEU 24 -0.788 4.046 -0.689 185 HB2 LEU 24 2HB LEU 24 -2.071 6.183 0.986 186 HB3 LEU 24 1HB LEU 24 -1.994 4.522 1.577 187 HG LEU 24 HG LEU 24 0.496 5.737 0.448 188 HD11 LEU 24 1HD1 LEU 24 -0.891 6.556 2.967 189 HD12 LEU 24 2HD1 LEU 24 0.123 7.510 1.885 190 HD13 LEU 24 3HD1 LEU 24 0.862 6.373 3.011 191 HD21 LEU 24 3HD2 LEU 24 1.553 4.135 1.779 192 HD22 LEU 24 1HD2 LEU 24 0.051 3.308 1.367 193 HD23 LEU 24 2HD2 LEU 24 0.228 4.081 2.942 194 H VAL 25 H VAL 25 -3.796 5.666 -1.399 195 HA VAL 25 HA VAL 25 -5.543 3.565 -0.582 196 HB VAL 25 HB VAL 25 -5.848 5.933 -2.421 197 HG11 VAL 25 1HG1 VAL 25 -7.628 3.569 -2.021 198 HG12 VAL 25 2HG1 VAL 25 -7.412 4.583 -3.448 199 HG13 VAL 25 3HG1 VAL 25 -8.386 5.161 -2.096 200 HG21 VAL 25 3HG2 VAL 25 -7.515 5.402 -0.005 201 HG22 VAL 25 1HG2 VAL 25 -6.891 6.930 -0.622 202 HG23 VAL 25 2HG2 VAL 25 -5.827 5.837 0.262 203 H LEU 26 H LEU 26 -4.286 4.554 -3.771 204 HA LEU 26 HA LEU 26 -5.468 2.397 -5.195 205 HB2 LEU 26 2HB LEU 26 -3.317 4.401 -5.770 206 HB3 LEU 26 1HB LEU 26 -3.528 3.026 -6.855 207 HG LEU 26 HG LEU 26 -5.942 4.598 -6.022 208 HD11 LEU 26 1HD1 LEU 26 -3.968 5.403 -8.181 209 HD12 LEU 26 2HD1 LEU 26 -4.353 6.322 -6.725 210 HD13 LEU 26 3HD1 LEU 26 -5.575 6.099 -7.977 211 HD21 LEU 26 3HD2 LEU 26 -6.899 3.613 -7.879 212 HD22 LEU 26 1HD2 LEU 26 -5.672 2.397 -7.527 213 HD23 LEU 26 2HD2 LEU 26 -5.385 3.601 -8.782 214 H ILE 27 H ILE 27 -2.343 2.848 -3.617 215 HA ILE 27 HA ILE 27 -1.146 0.458 -4.606 216 HB ILE 27 HB ILE 27 -0.554 2.316 -2.316 217 HG12 ILE 27 2HG1 ILE 27 -0.001 2.611 -4.893 218 HG13 ILE 27 1HG1 ILE 27 1.190 3.050 -3.669 219 HG21 ILE 27 1HG2 ILE 27 0.130 0.273 -1.358 220 HG22 ILE 27 2HG2 ILE 27 1.594 0.866 -2.141 221 HG23 ILE 27 3HG2 ILE 27 0.629 -0.393 -2.912 222 HD11 ILE 27 3HD1 ILE 27 2.431 1.067 -3.997 223 HD12 ILE 27 1HD1 ILE 27 1.984 1.559 -5.631 224 HD13 ILE 27 2HD1 ILE 27 1.097 0.266 -4.825 225 H SER 28 H SER 28 -2.637 1.261 -1.464 226 HA SER 28 HA SER 28 -2.399 -1.232 -0.251 227 HB2 SER 28 2HB SER 28 -4.634 0.789 0.027 228 HB3 SER 28 1HB SER 28 -4.332 -0.548 1.135 229 HG SER 28 HG SER 28 -3.190 1.862 1.061 230 H LEU 29 H LEU 29 -4.956 0.000 -2.382 231 HA LEU 29 HA LEU 29 -6.677 -2.225 -2.213 232 HB2 LEU 29 2HB LEU 29 -7.145 0.077 -3.235 233 HB3 LEU 29 1HB LEU 29 -6.335 -0.527 -4.682 234 HG LEU 29 HG LEU 29 -8.022 -2.601 -4.137 235 HD11 LEU 29 1HD1 LEU 29 -9.657 -0.121 -3.584 236 HD12 LEU 29 2HD1 LEU 29 -8.981 -1.097 -2.280 237 HD13 LEU 29 3HD1 LEU 29 -10.138 -1.807 -3.405 238 HD21 LEU 29 3HD2 LEU 29 -8.531 -0.098 -5.773 239 HD22 LEU 29 1HD2 LEU 29 -9.477 -1.578 -5.922 240 HD23 LEU 29 2HD2 LEU 29 -7.761 -1.586 -6.327 241 H LEU 30 H LEU 30 -4.104 -1.443 -4.549 242 HA LEU 30 HA LEU 30 -4.378 -3.754 -6.140 243 HB2 LEU 30 2HB LEU 30 -2.985 -1.573 -6.518 244 HB3 LEU 30 1HB LEU 30 -1.711 -2.457 -5.680 245 HG LEU 30 HG LEU 30 -2.457 -4.384 -7.378 246 HD11 LEU 30 1HD1 LEU 30 -3.268 -3.603 -9.446 247 HD12 LEU 30 2HD1 LEU 30 -2.855 -1.928 -9.079 248 HD13 LEU 30 3HD1 LEU 30 -4.222 -2.695 -8.272 249 HD21 LEU 30 3HD2 LEU 30 -0.703 -2.028 -8.150 250 HD22 LEU 30 1HD2 LEU 30 -0.620 -3.648 -8.844 251 HD23 LEU 30 2HD2 LEU 30 -0.194 -3.390 -7.152 252 H LEU 31 H LEU 31 -2.268 -3.071 -3.356 253 HA LEU 31 HA LEU 31 -0.840 -5.457 -3.286 254 HB2 LEU 31 2HB LEU 31 -1.255 -3.229 -1.561 255 HB3 LEU 31 1HB LEU 31 -1.456 -4.698 -0.605 256 HG LEU 31 HG LEU 31 0.896 -4.165 -2.443 257 HD11 LEU 31 1HD1 LEU 31 0.863 -2.626 -0.503 258 HD12 LEU 31 2HD1 LEU 31 2.173 -3.799 -0.370 259 HD13 LEU 31 3HD1 LEU 31 0.703 -4.008 0.582 260 HD21 LEU 31 3HD2 LEU 31 1.414 -6.330 -2.092 261 HD22 LEU 31 1HD2 LEU 31 -0.128 -6.535 -1.261 262 HD23 LEU 31 2HD2 LEU 31 1.315 -6.098 -0.346 263 H THR 32 H THR 32 -3.998 -4.692 -1.849 264 HA THR 32 HA THR 32 -4.431 -7.113 -0.510 265 HB THR 32 HB THR 32 -6.661 -5.618 -1.862 266 HG1 THR 32 1HG THR 32 -6.432 -4.392 0.277 267 HG21 THR 32 3HG2 THR 32 -6.343 -6.901 0.866 268 HG22 THR 32 1HG2 THR 32 -7.165 -7.628 -0.514 269 HG23 THR 32 2HG2 THR 32 -7.819 -6.172 0.235 270 H VAL 33 H VAL 33 -5.442 -6.140 -3.790 271 HA VAL 33 HA VAL 33 -6.654 -8.552 -4.533 272 HB VAL 33 HB VAL 33 -5.185 -6.532 -6.245 273 HG11 VAL 33 1HG1 VAL 33 -6.967 -7.590 -7.918 274 HG12 VAL 33 2HG1 VAL 33 -6.776 -8.990 -6.862 275 HG13 VAL 33 3HG1 VAL 33 -5.377 -8.323 -7.702 276 HG21 VAL 33 3HG2 VAL 33 -7.058 -5.566 -4.999 277 HG22 VAL 33 1HG2 VAL 33 -8.110 -6.886 -5.511 278 HG23 VAL 33 2HG2 VAL 33 -7.505 -5.728 -6.696 279 H LEU 34 H LEU 34 -3.281 -7.484 -4.848 280 HA LEU 34 HA LEU 34 -2.320 -9.731 -6.251 281 HB2 LEU 34 2HB LEU 34 -0.941 -7.813 -4.363 282 HB3 LEU 34 1HB LEU 34 -0.090 -9.042 -5.299 283 HG LEU 34 HG LEU 34 -1.978 -7.212 -6.732 284 HD11 LEU 34 1HD1 LEU 34 0.227 -5.798 -7.083 285 HD12 LEU 34 2HD1 LEU 34 0.657 -6.465 -5.509 286 HD13 LEU 34 3HD1 LEU 34 -0.806 -5.495 -5.686 287 HD21 LEU 34 3HD2 LEU 34 -0.446 -9.272 -7.553 288 HD22 LEU 34 1HD2 LEU 34 0.733 -7.969 -7.711 289 HD23 LEU 34 2HD2 LEU 34 -0.796 -7.885 -8.587 290 H ALA 35 H ALA 35 -2.232 -9.001 -2.756 291 HA ALA 35 HA ALA 35 -1.076 -11.390 -1.891 292 HB1 ALA 35 1HB ALA 35 -1.312 -9.565 -0.351 293 HB2 ALA 35 2HB ALA 35 -2.270 -10.907 0.279 294 HB3 ALA 35 3HB ALA 35 -3.067 -9.562 -0.536 295 H LEU 36 H LEU 36 -4.394 -10.647 -2.772 296 HA LEU 36 HA LEU 36 -5.554 -13.031 -1.714 297 HB2 LEU 36 2HB LEU 36 -6.440 -10.694 -3.132 298 HB3 LEU 36 1HB LEU 36 -7.094 -12.135 -3.912 299 HG LEU 36 HG LEU 36 -7.906 -12.943 -1.713 300 HD11 LEU 36 1HD1 LEU 36 -6.267 -10.681 -0.817 301 HD12 LEU 36 2HD1 LEU 36 -6.813 -12.096 0.082 302 HD13 LEU 36 3HD1 LEU 36 -7.874 -10.699 -0.093 303 HD21 LEU 36 3HD2 LEU 36 -9.169 -10.376 -1.518 304 HD22 LEU 36 1HD2 LEU 36 -9.808 -11.855 -2.233 305 HD23 LEU 36 2HD2 LEU 36 -8.879 -10.726 -3.221 306 H LEU 37 H LEU 37 -4.627 -12.062 -5.021 307 HA LEU 37 HA LEU 37 -5.255 -14.518 -6.255 308 HB2 LEU 37 2HB LEU 37 -4.063 -12.025 -7.009 309 HB3 LEU 37 1HB LEU 37 -3.058 -13.340 -7.616 310 HG LEU 37 HG LEU 37 -6.057 -13.130 -8.006 311 HD11 LEU 37 1HD1 LEU 37 -3.796 -12.721 -9.987 312 HD12 LEU 37 2HD1 LEU 37 -4.751 -11.423 -9.271 313 HD13 LEU 37 3HD1 LEU 37 -5.522 -12.602 -10.331 314 HD21 LEU 37 3HD2 LEU 37 -4.176 -15.298 -8.255 315 HD22 LEU 37 1HD2 LEU 37 -4.797 -14.879 -9.852 316 HD23 LEU 37 2HD2 LEU 37 -5.914 -15.311 -8.556 317 H SER 38 H SER 38 -2.311 -13.336 -4.698 318 HA SER 38 HA SER 38 -0.608 -15.457 -5.463 319 HB2 SER 38 2HB SER 38 0.684 -13.817 -4.563 320 HB3 SER 38 1HB SER 38 -0.578 -13.289 -3.455 321 HG SER 38 HG SER 38 1.496 -14.967 -3.037 322 H HIS 39 H HIS 39 -2.652 -14.978 -2.594 323 HA HIS 39 HA HIS 39 -1.932 -17.325 -1.224 324 HB2 HIS 39 2HB HIS 39 -3.330 -15.339 -0.389 325 HB3 HIS 39 1HB HIS 39 -4.701 -16.131 -1.167 326 HD2 HIS 39 2HD HIS 39 -5.852 -18.118 0.380 327 HE1 HIS 39 1HE HIS 39 -2.713 -18.583 3.164 328 HE2 HIS 39 2HE HIS 39 -5.070 -19.312 2.567 329 H ARG 40 H ARG 40 -4.330 -16.726 -3.746 330 HA ARG 40 HA ARG 40 -5.599 -19.264 -3.615 331 HB2 ARG 40 2HB ARG 40 -6.276 -17.022 -4.844 332 HB3 ARG 40 1HB ARG 40 -5.408 -17.760 -6.192 333 HG2 ARG 40 2HG ARG 40 -6.803 -19.798 -5.958 334 HG3 ARG 40 1HG ARG 40 -7.698 -19.017 -4.653 335 HD2 ARG 40 2HD ARG 40 -9.047 -18.082 -6.185 336 HD3 ARG 40 1HD ARG 40 -7.667 -17.180 -6.804 337 HE ARG 40 HE ARG 40 -7.653 -18.608 -8.624 338 HH11 ARG 40 1HH2 ARG 40 -9.310 -20.057 -5.954 339 HH12 ARG 40 2HH2 ARG 40 -9.811 -21.455 -6.845 340 HH21 ARG 40 1HH1 ARG 40 -8.305 -20.439 -9.800 341 HH22 ARG 40 2HH1 ARG 40 -9.242 -21.671 -9.022 342 H ARG 41 H ARG 41 -2.958 -17.991 -5.624 343 HA ARG 41 HA ARG 41 -2.568 -20.290 -7.204 344 HB2 ARG 41 2HB ARG 41 -1.542 -17.853 -7.333 345 HB3 ARG 41 1HB ARG 41 -0.235 -18.597 -6.411 346 HG2 ARG 41 2HG ARG 41 0.525 -19.150 -8.499 347 HG3 ARG 41 1HG ARG 41 -0.595 -20.498 -8.302 348 HD2 ARG 41 2HD ARG 41 -2.365 -18.884 -9.304 349 HD3 ARG 41 1HD ARG 41 -0.981 -17.942 -9.848 350 HE ARG 41 HE ARG 41 -0.874 -20.760 -10.540 351 HH11 ARG 41 1HH2 ARG 41 -1.862 -17.561 -11.412 352 HH12 ARG 41 2HH2 ARG 41 -1.906 -17.889 -13.113 353 HH21 ARG 41 1HH1 ARG 41 -0.930 -21.198 -12.768 354 HH22 ARG 41 2HH1 ARG 41 -1.377 -19.948 -13.881 355 H THR 42 H THR 42 -1.240 -19.339 -4.064 356 HA THR 42 HA THR 42 0.590 -21.507 -3.837 357 HB THR 42 HB THR 42 -0.679 -20.134 -1.481 358 HG1 THR 42 1HG THR 42 -0.080 -18.618 -3.169 359 HG21 THR 42 3HG2 THR 42 1.420 -20.539 -0.444 360 HG22 THR 42 1HG2 THR 42 2.205 -20.868 -1.988 361 HG23 THR 42 2HG2 THR 42 1.052 -22.023 -1.323 362 H LEU 43 H LEU 43 -2.734 -20.999 -2.702 363 HA LEU 43 HA LEU 43 -3.046 -23.322 -1.189 364 HB2 LEU 43 2HB LEU 43 -4.735 -21.279 -2.263 365 HB3 LEU 43 1HB LEU 43 -5.478 -22.848 -2.578 366 HG LEU 43 HG LEU 43 -4.452 -21.919 0.121 367 HD11 LEU 43 1HD1 LEU 43 -7.101 -21.785 -1.238 368 HD12 LEU 43 2HD1 LEU 43 -6.405 -20.713 -0.023 369 HD13 LEU 43 3HD1 LEU 43 -7.100 -22.259 0.461 370 HD21 LEU 43 3HD2 LEU 43 -4.551 -24.104 0.666 371 HD22 LEU 43 1HD2 LEU 43 -5.103 -24.511 -0.958 372 HD23 LEU 43 2HD2 LEU 43 -6.275 -24.090 0.292 373 H GLN 44 H GLN 44 -3.484 -22.805 -4.673 374 HA GLN 44 HA GLN 44 -4.433 -25.393 -5.293 375 HB2 GLN 44 2HB GLN 44 -3.052 -23.246 -6.890 376 HB3 GLN 44 1HB GLN 44 -3.451 -24.805 -7.611 377 HG2 GLN 44 2HG GLN 44 -5.617 -23.480 -6.070 378 HG3 GLN 44 1HG GLN 44 -5.170 -22.721 -7.596 379 HE21 GLN 44 1HE2 GLN 44 -7.597 -24.462 -6.724 380 HE22 GLN 44 2HE2 GLN 44 -7.689 -25.640 -7.942 381 H GLN 45 H GLN 45 -1.152 -24.019 -5.287 382 HA GLN 45 HA GLN 45 0.125 -26.418 -6.154 383 HB2 GLN 45 2HB GLN 45 0.890 -23.750 -5.644 384 HB3 GLN 45 1HB GLN 45 1.870 -24.757 -4.577 385 HG2 GLN 45 2HG GLN 45 2.567 -26.139 -6.472 386 HG3 GLN 45 1HG GLN 45 1.534 -25.210 -7.556 387 HE21 GLN 45 1HE2 GLN 45 4.538 -25.494 -7.594 388 HE22 GLN 45 2HE2 GLN 45 5.132 -23.907 -7.498 389 H LYS 46 H LYS 46 -1.068 -25.303 -3.118 390 HA LYS 46 HA LYS 46 0.610 -26.938 -1.455 391 HB2 LYS 46 2HB LYS 46 -1.961 -25.432 -0.983 392 HB3 LYS 46 1HB LYS 46 -1.206 -26.419 0.267 393 HG2 LYS 46 2HG LYS 46 0.682 -24.629 -1.095 394 HG3 LYS 46 1HG LYS 46 -0.603 -23.772 -0.241 395 HD2 LYS 46 2HD LYS 46 -0.094 -24.993 1.817 396 HD3 LYS 46 1HD LYS 46 1.137 -25.938 0.977 397 HE2 LYS 46 2HE LYS 46 1.222 -22.917 1.141 398 HE3 LYS 46 1HE LYS 46 2.013 -23.962 2.321 399 HZ1 LYS 46 3HZ LYS 46 2.819 -25.010 -0.026 400 HZ2 LYS 46 1HZ LYS 46 3.715 -23.906 0.899 401 HZ3 LYS 46 2HZ LYS 46 2.761 -23.352 -0.393 402 H ILE 47 H ILE 47 -2.684 -27.210 -2.753 403 HA ILE 47 HA ILE 47 -3.249 -29.713 -1.504 404 HB ILE 47 HB ILE 47 -4.498 -28.368 -3.911 405 HG12 ILE 47 2HG1 ILE 47 -5.845 -28.623 -1.265 406 HG13 ILE 47 1HG1 ILE 47 -4.519 -27.464 -1.372 407 HG21 ILE 47 1HG2 ILE 47 -4.992 -30.955 -2.533 408 HG22 ILE 47 2HG2 ILE 47 -5.321 -30.487 -4.200 409 HG23 ILE 47 3HG2 ILE 47 -6.417 -29.989 -2.912 410 HD11 ILE 47 3HD1 ILE 47 -6.949 -26.677 -1.962 411 HD12 ILE 47 1HD1 ILE 47 -6.649 -27.499 -3.493 412 HD13 ILE 47 2HD1 ILE 47 -5.608 -26.169 -2.988 413 H TRP 48 H TRP 48 -2.732 -28.956 -4.959 414 HA TRP 48 HA TRP 48 -1.717 -31.705 -5.317 415 HB2 TRP 48 2HB TRP 48 -2.948 -31.775 -7.186 416 HB3 TRP 48 1HB TRP 48 -3.600 -30.188 -6.775 417 HD1 TRP 48 HD TRP 48 -1.870 -28.067 -7.518 418 HE1 TRP 48 1HE TRP 48 -0.628 -27.795 -9.760 419 HE3 TRP 48 3HE TRP 48 -1.953 -32.901 -9.164 420 HZ2 TRP 48 2HZ TRP 48 0.220 -29.415 -11.961 421 HZ3 TRP 48 3HZ TRP 48 -0.921 -33.509 -11.333 422 HH2 TRP 48 HH TRP 48 0.163 -31.773 -12.734 423 HA PRO 49 HA PRO 49 2.338 -30.224 -6.125 424 HB2 PRO 49 2HB PRO 49 3.156 -32.023 -8.031 425 HB3 PRO 49 1HB PRO 49 3.031 -32.405 -6.303 426 HG2 PRO 49 2HG PRO 49 1.144 -33.026 -8.520 427 HG3 PRO 49 1HG PRO 49 1.633 -34.023 -7.141 428 HD2 PRO 49 2HD PRO 49 -0.746 -32.693 -7.194 429 HD3 PRO 49 1HD PRO 49 0.142 -32.989 -5.683 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -29.633 14.293 -4.102 2 H2 MET 1 2HT MET 1 -28.414 15.457 -3.884 3 H3 MET 1 3HT MET 1 -28.480 14.091 -2.875 4 HA MET 1 HA MET 1 -28.361 13.028 -5.385 5 HB2 MET 1 2HB MET 1 -27.712 15.522 -5.924 6 HB3 MET 1 1HB MET 1 -26.159 15.064 -5.221 7 HG2 MET 1 2HG MET 1 -25.854 14.539 -7.483 8 HG3 MET 1 1HG MET 1 -26.342 12.988 -6.800 9 HE1 MET 1 2HE MET 1 -26.561 14.962 -9.676 10 HE2 MET 1 3HE MET 1 -27.431 16.178 -8.746 11 HE3 MET 1 1HE MET 1 -28.234 15.338 -10.079 12 H SER 2 H SER 2 -26.948 11.339 -5.243 13 HA SER 2 HA SER 2 -25.550 10.999 -2.715 14 HB2 SER 2 2HB SER 2 -25.491 8.733 -3.215 15 HB3 SER 2 1HB SER 2 -26.947 9.234 -4.070 16 HG SER 2 HG SER 2 -24.501 8.397 -5.033 17 H GLU 3 H GLU 3 -24.801 12.405 -5.609 18 HA GLU 3 HA GLU 3 -21.922 11.970 -5.159 19 HB2 GLU 3 2HB GLU 3 -23.032 10.663 -7.163 20 HB3 GLU 3 1HB GLU 3 -22.945 12.232 -7.962 21 HG2 GLU 3 2HG GLU 3 -20.909 11.075 -8.488 22 HG3 GLU 3 1HG GLU 3 -20.499 12.318 -7.309 23 HA PRO 4 HA PRO 4 -23.200 16.448 -5.715 24 HB2 PRO 4 2HB PRO 4 -22.536 17.318 -3.213 25 HB3 PRO 4 1HB PRO 4 -24.140 16.685 -3.629 26 HG2 PRO 4 2HG PRO 4 -21.895 15.362 -2.205 27 HG3 PRO 4 1HG PRO 4 -23.640 15.229 -1.939 28 HD2 PRO 4 2HD PRO 4 -22.140 13.342 -3.280 29 HD3 PRO 4 1HD PRO 4 -23.886 13.578 -3.510 30 H ALA 5 H ALA 5 -21.707 17.767 -6.595 31 HA ALA 5 HA ALA 5 -18.953 17.134 -6.600 32 HB1 ALA 5 1HB ALA 5 -20.113 19.830 -7.299 33 HB2 ALA 5 2HB ALA 5 -20.252 18.433 -8.367 34 HB3 ALA 5 3HB ALA 5 -18.661 19.069 -7.948 35 H SER 6 H SER 6 -20.764 18.446 -4.183 36 HA SER 6 HA SER 6 -18.935 20.437 -3.201 37 HB2 SER 6 2HB SER 6 -20.749 20.963 -1.998 38 HB3 SER 6 1HB SER 6 -21.562 19.500 -2.547 39 HG SER 6 HG SER 6 -20.400 18.390 -0.870 40 H LEU 7 H LEU 7 -19.402 16.997 -2.769 41 HA LEU 7 HA LEU 7 -18.035 16.523 -0.407 42 HB2 LEU 7 2HB LEU 7 -19.142 14.948 -2.350 43 HB3 LEU 7 1HB LEU 7 -17.424 14.617 -2.571 44 HG LEU 7 HG LEU 7 -18.918 14.432 0.066 45 HD11 LEU 7 1HD1 LEU 7 -17.757 12.235 -1.666 46 HD12 LEU 7 2HD1 LEU 7 -19.469 12.653 -1.611 47 HD13 LEU 7 3HD1 LEU 7 -18.667 12.034 -0.168 48 HD21 LEU 7 3HD2 LEU 7 -16.722 14.917 0.686 49 HD22 LEU 7 1HD2 LEU 7 -16.038 14.157 -0.751 50 HD23 LEU 7 2HD2 LEU 7 -16.656 13.160 0.565 51 H LEU 8 H LEU 8 -16.742 16.970 -3.674 52 HA LEU 8 HA LEU 8 -14.010 16.637 -2.789 53 HB2 LEU 8 2HB LEU 8 -14.985 17.712 -5.435 54 HB3 LEU 8 1HB LEU 8 -13.401 17.025 -5.071 55 HG LEU 8 HG LEU 8 -15.192 15.045 -4.263 56 HD11 LEU 8 1HD1 LEU 8 -16.985 16.296 -5.453 57 HD12 LEU 8 2HD1 LEU 8 -16.678 14.717 -6.176 58 HD13 LEU 8 3HD1 LEU 8 -16.050 16.176 -6.943 59 HD21 LEU 8 3HD2 LEU 8 -13.533 15.450 -6.763 60 HD22 LEU 8 1HD2 LEU 8 -14.395 13.944 -6.442 61 HD23 LEU 8 2HD2 LEU 8 -13.138 14.494 -5.334 62 H THR 9 H THR 9 -15.956 19.308 -4.062 63 HA THR 9 HA THR 9 -14.061 21.339 -3.846 64 HB THR 9 HB THR 9 -16.941 21.879 -3.213 65 HG1 THR 9 1HG THR 9 -15.857 20.704 -5.479 66 HG21 THR 9 3HG2 THR 9 -14.871 23.545 -3.577 67 HG22 THR 9 1HG2 THR 9 -16.503 23.952 -4.101 68 HG23 THR 9 2HG2 THR 9 -15.336 23.325 -5.264 69 H ALA 10 H ALA 10 -15.398 19.502 -1.393 70 HA ALA 10 HA ALA 10 -15.040 21.577 0.643 71 HB1 ALA 10 1HB ALA 10 -16.289 18.841 0.747 72 HB2 ALA 10 2HB ALA 10 -17.099 20.400 0.902 73 HB3 ALA 10 3HB ALA 10 -16.022 19.835 2.179 74 H SER 11 H SER 11 -14.209 18.181 0.252 75 HA SER 11 HA SER 11 -12.206 18.138 2.241 76 HB2 SER 11 2HB SER 11 -13.028 16.026 1.560 77 HB3 SER 11 1HB SER 11 -12.743 16.377 -0.142 78 HG SER 11 HG SER 11 -11.035 15.163 0.426 79 H ASP 12 H ASP 12 -12.233 19.796 -0.593 80 HA ASP 12 HA ASP 12 -9.643 19.461 -1.628 81 HB2 ASP 12 2HB ASP 12 -11.581 20.736 -2.682 82 HB3 ASP 12 1HB ASP 12 -11.158 22.067 -1.608 83 H LEU 13 H LEU 13 -10.665 20.764 1.302 84 HA LEU 13 HA LEU 13 -8.868 22.831 1.804 85 HB2 LEU 13 2HB LEU 13 -9.204 22.379 4.166 86 HB3 LEU 13 1HB LEU 13 -10.733 22.198 3.309 87 HG LEU 13 HG LEU 13 -9.627 19.662 3.141 88 HD11 LEU 13 1HD1 LEU 13 -8.835 19.080 5.353 89 HD12 LEU 13 2HD1 LEU 13 -9.173 20.704 5.951 90 HD13 LEU 13 3HD1 LEU 13 -7.879 20.448 4.783 91 HD21 LEU 13 3HD2 LEU 13 -11.485 20.721 5.293 92 HD22 LEU 13 1HD2 LEU 13 -11.362 19.046 4.755 93 HD23 LEU 13 2HD2 LEU 13 -11.984 20.278 3.660 94 H ASP 14 H ASP 14 -8.333 19.387 1.689 95 HA ASP 14 HA ASP 14 -5.493 19.855 2.349 96 HB2 ASP 14 2HB ASP 14 -7.408 17.898 3.438 97 HB3 ASP 14 1HB ASP 14 -5.821 17.264 3.014 98 HA PRO 15 HA PRO 15 -5.804 17.905 -1.811 99 HB2 PRO 15 2HB PRO 15 -4.078 19.607 -3.063 100 HB3 PRO 15 1HB PRO 15 -5.809 19.932 -2.873 101 HG2 PRO 15 2HG PRO 15 -3.506 21.107 -1.470 102 HG3 PRO 15 1HG PRO 15 -5.108 21.790 -1.791 103 HD2 PRO 15 2HD PRO 15 -4.209 20.685 0.647 104 HD3 PRO 15 1HD PRO 15 -5.882 21.123 0.240 105 H LEU 16 H LEU 16 -2.835 19.217 -0.342 106 HA LEU 16 HA LEU 16 -0.981 17.551 -1.592 107 HB2 LEU 16 2HB LEU 16 -1.046 19.245 0.813 108 HB3 LEU 16 1HB LEU 16 0.106 17.912 0.896 109 HG LEU 16 HG LEU 16 1.125 18.610 -1.207 110 HD11 LEU 16 1HD1 LEU 16 0.098 21.118 -1.776 111 HD12 LEU 16 2HD1 LEU 16 -1.344 20.185 -1.382 112 HD13 LEU 16 3HD1 LEU 16 -0.267 19.642 -2.668 113 HD21 LEU 16 3HD2 LEU 16 1.094 21.279 -0.083 114 HD22 LEU 16 1HD2 LEU 16 2.393 20.087 -0.069 115 HD23 LEU 16 2HD2 LEU 16 1.170 20.072 1.202 116 H ILE 17 H ILE 17 -2.838 17.066 1.385 117 HA ILE 17 HA ILE 17 -1.681 14.532 2.013 118 HB ILE 17 HB ILE 17 -4.433 15.399 2.864 119 HG12 ILE 17 2HG1 ILE 17 -1.750 16.423 3.837 120 HG13 ILE 17 1HG1 ILE 17 -3.073 17.377 3.166 121 HG21 ILE 17 1HG2 ILE 17 -2.229 14.062 4.440 122 HG22 ILE 17 2HG2 ILE 17 -3.372 13.143 3.462 123 HG23 ILE 17 3HG2 ILE 17 -3.951 14.118 4.813 124 HD11 ILE 17 3HD1 ILE 17 -3.381 17.687 5.461 125 HD12 ILE 17 1HD1 ILE 17 -2.876 16.044 5.851 126 HD13 ILE 17 2HD1 ILE 17 -4.461 16.330 5.135 127 H LEU 18 H LEU 18 -4.571 15.584 0.245 128 HA LEU 18 HA LEU 18 -5.730 13.033 -0.109 129 HB2 LEU 18 2HB LEU 18 -6.121 15.713 -1.119 130 HB3 LEU 18 1HB LEU 18 -6.316 14.533 -2.411 131 HG LEU 18 HG LEU 18 -7.666 14.262 0.285 132 HD11 LEU 18 1HD1 LEU 18 -8.729 16.171 -0.496 133 HD12 LEU 18 2HD1 LEU 18 -9.709 14.919 -1.258 134 HD13 LEU 18 3HD1 LEU 18 -8.465 15.753 -2.189 135 HD21 LEU 18 3HD2 LEU 18 -8.555 12.350 -0.563 136 HD22 LEU 18 1HD2 LEU 18 -7.260 12.439 -1.756 137 HD23 LEU 18 2HD2 LEU 18 -8.852 13.088 -2.136 138 H THR 19 H THR 19 -3.283 14.774 -1.963 139 HA THR 19 HA THR 19 -3.175 12.990 -4.160 140 HB THR 19 HB THR 19 -1.008 14.781 -3.036 141 HG1 THR 19 1HG THR 19 -2.830 15.939 -3.620 142 HG21 THR 19 3HG2 THR 19 -0.312 14.678 -5.524 143 HG22 THR 19 1HG2 THR 19 -1.323 13.235 -5.605 144 HG23 THR 19 2HG2 THR 19 0.062 13.282 -4.513 145 H LEU 20 H LEU 20 -1.238 13.202 -1.176 146 HA LEU 20 HA LEU 20 0.393 10.945 -1.747 147 HB2 LEU 20 2HB LEU 20 -0.314 12.362 0.826 148 HB3 LEU 20 1HB LEU 20 0.814 11.008 0.757 149 HG LEU 20 HG LEU 20 1.231 13.244 -1.174 150 HD11 LEU 20 1HD1 LEU 20 0.827 14.477 0.885 151 HD12 LEU 20 2HD1 LEU 20 2.562 14.462 0.567 152 HD13 LEU 20 3HD1 LEU 20 1.879 13.385 1.785 153 HD21 LEU 20 3HD2 LEU 20 2.595 11.073 -0.956 154 HD22 LEU 20 1HD2 LEU 20 3.215 11.748 0.550 155 HD23 LEU 20 2HD2 LEU 20 3.509 12.581 -0.977 156 H SER 21 H SER 21 -2.669 11.369 -0.036 157 HA SER 21 HA SER 21 -2.881 8.762 1.022 158 HB2 SER 21 2HB SER 21 -5.193 9.279 1.399 159 HB3 SER 21 1HB SER 21 -4.284 10.763 1.666 160 HG SER 21 HG SER 21 -6.016 11.232 0.343 161 H LEU 22 H LEU 22 -4.228 10.194 -1.959 162 HA LEU 22 HA LEU 22 -5.522 7.940 -2.942 163 HB2 LEU 22 2HB LEU 22 -4.347 10.388 -4.164 164 HB3 LEU 22 1HB LEU 22 -4.759 9.059 -5.246 165 HG LEU 22 HG LEU 22 -6.725 9.992 -3.163 166 HD11 LEU 22 1HD1 LEU 22 -6.366 12.041 -4.260 167 HD12 LEU 22 2HD1 LEU 22 -7.695 11.336 -5.179 168 HD13 LEU 22 3HD1 LEU 22 -6.050 11.263 -5.810 169 HD21 LEU 22 3HD2 LEU 22 -8.209 8.686 -4.315 170 HD22 LEU 22 1HD2 LEU 22 -6.752 7.884 -4.904 171 HD23 LEU 22 2HD2 LEU 22 -7.531 9.126 -5.883 172 H ILE 23 H ILE 23 -2.125 8.868 -3.189 173 HA ILE 23 HA ILE 23 -1.292 6.910 -5.024 174 HB ILE 23 HB ILE 23 0.083 8.468 -2.858 175 HG12 ILE 23 2HG1 ILE 23 0.653 8.263 -5.821 176 HG13 ILE 23 1HG1 ILE 23 -0.534 9.388 -5.162 177 HG21 ILE 23 1HG2 ILE 23 1.131 6.103 -4.395 178 HG22 ILE 23 2HG2 ILE 23 1.312 6.476 -2.680 179 HG23 ILE 23 3HG2 ILE 23 2.217 7.397 -3.884 180 HD11 ILE 23 3HD1 ILE 23 1.100 10.604 -3.971 181 HD12 ILE 23 1HD1 ILE 23 1.882 10.257 -5.514 182 HD13 ILE 23 2HD1 ILE 23 2.281 9.301 -4.088 183 H LEU 24 H LEU 24 -0.969 6.859 -1.458 184 HA LEU 24 HA LEU 24 -0.152 4.182 -1.283 185 HB2 LEU 24 2HB LEU 24 -1.356 6.153 0.627 186 HB3 LEU 24 1HB LEU 24 -1.217 4.465 1.118 187 HG LEU 24 HG LEU 24 1.137 5.919 -0.076 188 HD11 LEU 24 1HD1 LEU 24 1.796 6.206 2.425 189 HD12 LEU 24 2HD1 LEU 24 0.067 6.058 2.737 190 HD13 LEU 24 3HD1 LEU 24 0.670 7.366 1.722 191 HD21 LEU 24 3HD2 LEU 24 1.473 3.963 2.101 192 HD22 LEU 24 1HD2 LEU 24 2.299 4.067 0.550 193 HD23 LEU 24 2HD2 LEU 24 0.721 3.290 0.656 194 H VAL 25 H VAL 25 -3.309 5.612 -1.537 195 HA VAL 25 HA VAL 25 -4.816 3.338 -0.714 196 HB VAL 25 HB VAL 25 -5.558 5.666 -2.493 197 HG11 VAL 25 1HG1 VAL 25 -7.919 4.909 -1.733 198 HG12 VAL 25 2HG1 VAL 25 -7.150 3.360 -1.385 199 HG13 VAL 25 3HG1 VAL 25 -7.138 4.002 -3.029 200 HG21 VAL 25 3HG2 VAL 25 -5.998 6.803 -0.578 201 HG22 VAL 25 1HG2 VAL 25 -5.012 5.582 0.226 202 HG23 VAL 25 2HG2 VAL 25 -6.766 5.402 0.168 203 H LEU 26 H LEU 26 -4.013 4.604 -3.955 204 HA LEU 26 HA LEU 26 -5.186 2.497 -5.413 205 HB2 LEU 26 2HB LEU 26 -3.185 4.633 -5.968 206 HB3 LEU 26 1HB LEU 26 -3.259 3.279 -7.096 207 HG LEU 26 HG LEU 26 -5.830 4.562 -6.244 208 HD11 LEU 26 1HD1 LEU 26 -5.413 6.012 -8.408 209 HD12 LEU 26 2HD1 LEU 26 -3.716 5.784 -7.982 210 HD13 LEU 26 3HD1 LEU 26 -4.814 6.561 -6.842 211 HD21 LEU 26 3HD2 LEU 26 -5.495 2.477 -7.750 212 HD22 LEU 26 1HD2 LEU 26 -4.958 3.624 -8.978 213 HD23 LEU 26 2HD2 LEU 26 -6.592 3.733 -8.323 214 H ILE 27 H ILE 27 -1.883 2.948 -4.194 215 HA ILE 27 HA ILE 27 -0.808 0.583 -5.332 216 HB ILE 27 HB ILE 27 0.036 2.197 -2.916 217 HG12 ILE 27 2HG1 ILE 27 1.249 2.033 -5.688 218 HG13 ILE 27 1HG1 ILE 27 0.067 3.259 -5.230 219 HG21 ILE 27 1HG2 ILE 27 0.980 0.022 -2.618 220 HG22 ILE 27 2HG2 ILE 27 2.252 0.997 -3.352 221 HG23 ILE 27 3HG2 ILE 27 1.331 -0.138 -4.339 222 HD11 ILE 27 3HD1 ILE 27 2.360 4.121 -4.966 223 HD12 ILE 27 1HD1 ILE 27 2.738 2.789 -3.873 224 HD13 ILE 27 2HD1 ILE 27 1.552 4.006 -3.403 225 H SER 28 H SER 28 -2.085 1.294 -2.078 226 HA SER 28 HA SER 28 -1.704 -1.242 -0.958 227 HB2 SER 28 2HB SER 28 -2.303 0.433 0.568 228 HB3 SER 28 1HB SER 28 -3.650 0.983 -0.424 229 HG SER 28 HG SER 28 -3.463 -1.523 0.902 230 H LEU 29 H LEU 29 -4.382 0.049 -2.869 231 HA LEU 29 HA LEU 29 -6.144 -2.129 -2.599 232 HB2 LEU 29 2HB LEU 29 -6.001 0.286 -4.138 233 HB3 LEU 29 1HB LEU 29 -6.441 -1.048 -5.206 234 HG LEU 29 HG LEU 29 -7.796 -0.473 -2.556 235 HD11 LEU 29 1HD1 LEU 29 -8.675 0.141 -5.393 236 HD12 LEU 29 2HD1 LEU 29 -8.240 1.328 -4.163 237 HD13 LEU 29 3HD1 LEU 29 -9.680 0.330 -3.956 238 HD21 LEU 29 3HD2 LEU 29 -7.735 -2.765 -4.217 239 HD22 LEU 29 1HD2 LEU 29 -9.299 -1.999 -4.496 240 HD23 LEU 29 2HD2 LEU 29 -8.822 -2.459 -2.862 241 H LEU 30 H LEU 30 -3.543 -1.487 -4.935 242 HA LEU 30 HA LEU 30 -4.020 -3.744 -6.554 243 HB2 LEU 30 2HB LEU 30 -2.145 -1.594 -6.431 244 HB3 LEU 30 1HB LEU 30 -1.238 -3.097 -6.515 245 HG LEU 30 HG LEU 30 -1.728 -2.247 -8.778 246 HD11 LEU 30 1HD1 LEU 30 -2.044 -4.358 -9.555 247 HD12 LEU 30 2HD1 LEU 30 -3.595 -4.519 -8.729 248 HD13 LEU 30 3HD1 LEU 30 -2.094 -4.823 -7.854 249 HD21 LEU 30 3HD2 LEU 30 -3.774 -1.462 -9.379 250 HD22 LEU 30 1HD2 LEU 30 -4.132 -1.459 -7.651 251 HD23 LEU 30 2HD2 LEU 30 -4.604 -2.835 -8.646 252 H LEU 31 H LEU 31 -1.826 -3.214 -3.816 253 HA LEU 31 HA LEU 31 -0.588 -5.713 -3.833 254 HB2 LEU 31 2HB LEU 31 -0.608 -3.447 -2.159 255 HB3 LEU 31 1HB LEU 31 -1.075 -4.796 -1.127 256 HG LEU 31 HG LEU 31 1.361 -4.560 -1.130 257 HD11 LEU 31 1HD1 LEU 31 1.656 -6.812 -1.161 258 HD12 LEU 31 2HD1 LEU 31 1.178 -6.936 -2.854 259 HD13 LEU 31 3HD1 LEU 31 -0.052 -6.883 -1.594 260 HD21 LEU 31 3HD2 LEU 31 1.791 -5.404 -3.891 261 HD22 LEU 31 1HD2 LEU 31 2.545 -4.081 -3.000 262 HD23 LEU 31 2HD2 LEU 31 0.993 -3.833 -3.802 263 H THR 32 H THR 32 -3.658 -4.694 -2.435 264 HA THR 32 HA THR 32 -4.233 -7.007 -0.957 265 HB THR 32 HB THR 32 -6.669 -6.068 -2.025 266 HG1 THR 32 1HG THR 32 -5.095 -3.875 -1.255 267 HG21 THR 32 3HG2 THR 32 -6.969 -5.159 0.213 268 HG22 THR 32 1HG2 THR 32 -5.230 -5.211 0.499 269 HG23 THR 32 2HG2 THR 32 -6.141 -6.711 0.330 270 H VAL 33 H VAL 33 -5.195 -6.154 -4.286 271 HA VAL 33 HA VAL 33 -6.493 -8.565 -4.898 272 HB VAL 33 HB VAL 33 -4.987 -6.694 -6.741 273 HG11 VAL 33 1HG1 VAL 33 -6.858 -9.012 -7.200 274 HG12 VAL 33 2HG1 VAL 33 -5.328 -8.651 -8.001 275 HG13 VAL 33 3HG1 VAL 33 -6.763 -7.694 -8.368 276 HG21 VAL 33 3HG2 VAL 33 -6.856 -5.370 -6.778 277 HG22 VAL 33 1HG2 VAL 33 -7.120 -6.068 -5.182 278 HG23 VAL 33 2HG2 VAL 33 -7.952 -6.737 -6.585 279 H LEU 34 H LEU 34 -3.110 -7.572 -5.452 280 HA LEU 34 HA LEU 34 -2.233 -9.923 -6.712 281 HB2 LEU 34 2HB LEU 34 -0.783 -7.989 -4.912 282 HB3 LEU 34 1HB LEU 34 0.028 -9.234 -5.862 283 HG LEU 34 HG LEU 34 -1.870 -7.372 -7.256 284 HD11 LEU 34 1HD1 LEU 34 0.263 -5.951 -7.708 285 HD12 LEU 34 2HD1 LEU 34 0.880 -6.683 -6.227 286 HD13 LEU 34 3HD1 LEU 34 -0.590 -5.711 -6.184 287 HD21 LEU 34 3HD2 LEU 34 -0.873 -9.270 -8.475 288 HD22 LEU 34 1HD2 LEU 34 0.743 -8.723 -8.026 289 HD23 LEU 34 2HD2 LEU 34 -0.252 -7.747 -9.106 290 H ALA 35 H ALA 35 -2.033 -9.029 -3.262 291 HA ALA 35 HA ALA 35 -0.907 -11.414 -2.328 292 HB1 ALA 35 1HB ALA 35 -1.275 -9.271 -1.021 293 HB2 ALA 35 2HB ALA 35 -1.664 -10.756 -0.153 294 HB3 ALA 35 3HB ALA 35 -2.956 -9.768 -0.834 295 H LEU 36 H LEU 36 -4.202 -10.594 -3.170 296 HA LEU 36 HA LEU 36 -5.480 -12.834 -1.959 297 HB2 LEU 36 2HB LEU 36 -6.263 -10.610 -3.523 298 HB3 LEU 36 1HB LEU 36 -6.831 -12.048 -4.371 299 HG LEU 36 HG LEU 36 -7.299 -11.517 -1.420 300 HD11 LEU 36 1HD1 LEU 36 -9.734 -11.488 -2.781 301 HD12 LEU 36 2HD1 LEU 36 -8.656 -10.537 -3.802 302 HD13 LEU 36 3HD1 LEU 36 -8.893 -10.089 -2.113 303 HD21 LEU 36 3HD2 LEU 36 -7.990 -13.662 -1.367 304 HD22 LEU 36 1HD2 LEU 36 -7.510 -13.853 -3.053 305 HD23 LEU 36 2HD2 LEU 36 -9.146 -13.328 -2.656 306 H LEU 37 H LEU 37 -4.481 -12.290 -5.337 307 HA LEU 37 HA LEU 37 -5.118 -14.903 -6.233 308 HB2 LEU 37 2HB LEU 37 -3.267 -12.762 -7.283 309 HB3 LEU 37 1HB LEU 37 -3.491 -14.304 -8.110 310 HG LEU 37 HG LEU 37 -6.033 -13.073 -7.343 311 HD11 LEU 37 1HD1 LEU 37 -4.143 -11.585 -9.184 312 HD12 LEU 37 2HD1 LEU 37 -4.903 -10.974 -7.717 313 HD13 LEU 37 3HD1 LEU 37 -5.883 -11.311 -9.141 314 HD21 LEU 37 3HD2 LEU 37 -5.543 -14.988 -8.981 315 HD22 LEU 37 1HD2 LEU 37 -4.967 -13.745 -10.094 316 HD23 LEU 37 2HD2 LEU 37 -6.645 -13.736 -9.555 317 H SER 38 H SER 38 -2.236 -13.484 -4.797 318 HA SER 38 HA SER 38 -0.442 -15.601 -5.333 319 HB2 SER 38 2HB SER 38 -0.049 -13.198 -4.336 320 HB3 SER 38 1HB SER 38 -0.260 -14.024 -2.794 321 HG SER 38 HG SER 38 1.785 -14.472 -3.095 322 H HIS 39 H HIS 39 -2.514 -14.954 -2.508 323 HA HIS 39 HA HIS 39 -1.744 -17.239 -1.029 324 HB2 HIS 39 2HB HIS 39 -4.290 -15.603 -0.979 325 HB3 HIS 39 1HB HIS 39 -3.888 -16.848 0.203 326 HD2 HIS 39 2HD HIS 39 -3.619 -14.753 2.196 327 HE1 HIS 39 1HE HIS 39 -0.058 -13.190 0.553 328 HE2 HIS 39 2HE HIS 39 -1.595 -13.148 2.575 329 H ARG 40 H ARG 40 -4.245 -16.685 -3.461 330 HA ARG 40 HA ARG 40 -5.613 -19.143 -3.151 331 HB2 ARG 40 2HB ARG 40 -5.550 -16.942 -5.091 332 HB3 ARG 40 1HB ARG 40 -5.908 -18.510 -5.816 333 HG2 ARG 40 2HG ARG 40 -7.703 -18.873 -4.162 334 HG3 ARG 40 1HG ARG 40 -7.342 -17.310 -3.426 335 HD2 ARG 40 2HD ARG 40 -8.742 -16.348 -4.897 336 HD3 ARG 40 1HD ARG 40 -7.645 -16.822 -6.191 337 HE ARG 40 HE ARG 40 -9.193 -19.062 -5.608 338 HH11 ARG 40 1HH2 ARG 40 -9.624 -15.805 -6.690 339 HH12 ARG 40 2HH2 ARG 40 -11.037 -16.156 -7.627 340 HH21 ARG 40 1HH1 ARG 40 -11.046 -19.532 -6.834 341 HH22 ARG 40 2HH1 ARG 40 -11.842 -18.267 -7.709 342 H ARG 41 H ARG 41 -2.914 -18.162 -5.247 343 HA ARG 41 HA ARG 41 -2.677 -20.638 -6.612 344 HB2 ARG 41 2HB ARG 41 -1.484 -18.136 -6.795 345 HB3 ARG 41 1HB ARG 41 -0.164 -19.189 -6.285 346 HG2 ARG 41 2HG ARG 41 -0.661 -20.734 -8.133 347 HG3 ARG 41 1HG ARG 41 -2.008 -19.712 -8.638 348 HD2 ARG 41 2HD ARG 41 -0.643 -18.269 -9.700 349 HD3 ARG 41 1HD ARG 41 0.465 -18.197 -8.332 350 HE ARG 41 HE ARG 41 0.640 -20.640 -9.889 351 HH11 ARG 41 1HH2 ARG 41 1.701 -17.377 -9.438 352 HH12 ARG 41 2HH2 ARG 41 3.207 -17.607 -10.261 353 HH21 ARG 41 1HH1 ARG 41 2.615 -20.948 -10.969 354 HH22 ARG 41 2HH1 ARG 41 3.726 -19.629 -11.128 355 H THR 42 H THR 42 -1.354 -19.391 -3.602 356 HA THR 42 HA THR 42 0.569 -21.419 -3.144 357 HB THR 42 HB THR 42 -0.970 -19.977 -0.985 358 HG1 THR 42 1HG THR 42 1.376 -18.881 -1.906 359 HG21 THR 42 3HG2 THR 42 0.839 -20.457 0.368 360 HG22 THR 42 1HG2 THR 42 1.970 -20.510 -0.986 361 HG23 THR 42 2HG2 THR 42 0.878 -21.864 -0.696 362 H LEU 43 H LEU 43 -2.810 -21.059 -2.059 363 HA LEU 43 HA LEU 43 -2.963 -23.477 -0.619 364 HB2 LEU 43 2HB LEU 43 -4.743 -21.377 -1.408 365 HB3 LEU 43 1HB LEU 43 -5.506 -22.929 -1.756 366 HG LEU 43 HG LEU 43 -4.227 -22.213 0.898 367 HD11 LEU 43 1HD1 LEU 43 -6.362 -20.938 0.218 368 HD12 LEU 43 2HD1 LEU 43 -6.402 -21.804 1.753 369 HD13 LEU 43 3HD1 LEU 43 -7.179 -22.498 0.331 370 HD21 LEU 43 3HD2 LEU 43 -4.441 -24.410 1.357 371 HD22 LEU 43 1HD2 LEU 43 -5.012 -24.688 -0.290 372 HD23 LEU 43 2HD2 LEU 43 -6.165 -24.324 0.994 373 H GLN 44 H GLN 44 -3.612 -22.710 -4.016 374 HA GLN 44 HA GLN 44 -4.708 -25.165 -4.800 375 HB2 GLN 44 2HB GLN 44 -3.161 -23.032 -6.252 376 HB3 GLN 44 1HB GLN 44 -3.660 -24.510 -7.075 377 HG2 GLN 44 2HG GLN 44 -5.884 -23.963 -7.010 378 HG3 GLN 44 1HG GLN 44 -5.740 -23.129 -5.464 379 HE21 GLN 44 1HE2 GLN 44 -6.706 -21.127 -6.114 380 HE22 GLN 44 2HE2 GLN 44 -6.015 -20.116 -7.289 381 H GLN 45 H GLN 45 -1.315 -24.070 -4.819 382 HA GLN 45 HA GLN 45 -0.143 -26.334 -5.925 383 HB2 GLN 45 2HB GLN 45 0.749 -24.103 -4.208 384 HB3 GLN 45 1HB GLN 45 1.744 -25.556 -4.130 385 HG2 GLN 45 2HG GLN 45 0.886 -24.420 -6.785 386 HG3 GLN 45 1HG GLN 45 2.307 -23.794 -5.951 387 HE21 GLN 45 1HE2 GLN 45 3.900 -24.680 -7.384 388 HE22 GLN 45 2HE2 GLN 45 4.134 -26.351 -7.568 389 H LYS 46 H LYS 46 -0.731 -25.626 -2.479 390 HA LYS 46 HA LYS 46 0.299 -28.047 -1.478 391 HB2 LYS 46 2HB LYS 46 -1.771 -26.133 -0.389 392 HB3 LYS 46 1HB LYS 46 -1.176 -27.527 0.516 393 HG2 LYS 46 2HG LYS 46 1.159 -26.663 0.201 394 HG3 LYS 46 1HG LYS 46 0.475 -25.216 -0.543 395 HD2 LYS 46 2HD LYS 46 -0.827 -24.798 1.538 396 HD3 LYS 46 1HD LYS 46 -0.046 -26.195 2.279 397 HE2 LYS 46 2HE LYS 46 1.946 -24.460 1.106 398 HE3 LYS 46 1HE LYS 46 0.921 -23.543 2.210 399 HZ1 LYS 46 3HZ LYS 46 2.998 -25.106 2.944 400 HZ2 LYS 46 1HZ LYS 46 1.673 -26.132 3.208 401 HZ3 LYS 46 2HZ LYS 46 1.734 -24.614 3.968 402 H ILE 47 H ILE 47 -2.923 -27.158 -2.617 403 HA ILE 47 HA ILE 47 -4.073 -29.715 -1.903 404 HB ILE 47 HB ILE 47 -5.090 -27.367 -3.517 405 HG12 ILE 47 2HG1 ILE 47 -6.022 -28.500 -0.863 406 HG13 ILE 47 1HG1 ILE 47 -4.834 -27.202 -0.993 407 HG21 ILE 47 1HG2 ILE 47 -6.206 -29.237 -4.470 408 HG22 ILE 47 2HG2 ILE 47 -7.320 -28.633 -3.247 409 HG23 ILE 47 3HG2 ILE 47 -6.334 -30.057 -2.914 410 HD11 ILE 47 3HD1 ILE 47 -6.397 -25.718 -1.985 411 HD12 ILE 47 1HD1 ILE 47 -7.296 -26.504 -0.687 412 HD13 ILE 47 2HD1 ILE 47 -7.524 -27.023 -2.356 413 H TRP 48 H TRP 48 -2.108 -28.596 -4.393 414 HA TRP 48 HA TRP 48 -2.720 -30.979 -6.004 415 HB2 TRP 48 2HB TRP 48 -3.897 -28.977 -6.971 416 HB3 TRP 48 1HB TRP 48 -2.310 -28.256 -7.241 417 HD1 TRP 48 HD TRP 48 -4.085 -31.610 -8.041 418 HE1 TRP 48 1HE TRP 48 -3.323 -32.375 -10.382 419 HE3 TRP 48 3HE TRP 48 -0.789 -27.873 -9.161 420 HZ2 TRP 48 2HZ TRP 48 -1.550 -31.518 -12.455 421 HZ3 TRP 48 3HZ TRP 48 0.421 -27.872 -11.324 422 HH2 TRP 48 HH TRP 48 0.046 -29.688 -12.971 423 HA PRO 49 HA PRO 49 1.823 -30.139 -5.344 424 HB2 PRO 49 2HB PRO 49 2.412 -32.471 -4.054 425 HB3 PRO 49 1HB PRO 49 1.869 -31.008 -3.214 426 HG2 PRO 49 2HG PRO 49 0.364 -33.468 -3.901 427 HG3 PRO 49 1HG PRO 49 0.225 -32.413 -2.485 428 HD2 PRO 49 2HD PRO 49 -1.509 -32.386 -4.647 429 HD3 PRO 49 1HD PRO 49 -1.293 -31.035 -3.515
Contact the webmaster for help, if required. Wednesday, June 5, 2024 5:32:05 AM GMT (wattos1)