NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
605058 | 5iej | 30025 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 NME 1 7.243 7.376 2.001 2 H2 MET 1 H2 NME 1 8.445 8.414 1.555 3 H3 MET 1 H3 NME 1 8.823 6.997 2.291 4 HA MET 1 HA NME 1 7.577 7.282 -0.349 5 HB2 MET 1 HB2 NME 1 9.942 7.983 -0.315 6 HB3 MET 1 HB3 NME 1 10.397 6.431 0.413 7 HG2 MET 1 HG2 NME 1 9.533 5.258 -1.594 8 HG3 MET 1 HG3 NME 1 9.048 6.812 -2.287 9 HE1 MET 1 HE1 NME 1 12.374 5.873 -0.309 10 HE2 MET 1 HE2 NME 1 11.978 4.437 -1.289 11 HE3 MET 1 HE3 NME 1 13.417 5.409 -1.669 12 H SER 2 H SER 2 6.458 5.571 -1.001 13 HA SER 2 HA SER 2 7.157 2.881 0.062 14 HB2 SER 2 HB2 SER 2 4.353 4.034 -0.222 15 HB3 SER 2 HB3 SER 2 4.756 2.365 0.241 16 HG SER 2 HG SER 2 4.367 3.703 2.051 17 H ALA 3 H ALA 3 6.550 4.957 -2.530 18 HA ALA 3 HA ALA 3 6.894 2.811 -4.498 19 HB1 ALA 3 HB1 ALA 3 4.969 3.593 -5.845 20 HB2 ALA 3 HB2 ALA 3 4.426 2.975 -4.270 21 HB3 ALA 3 HB3 ALA 3 4.519 4.730 -4.556 22 H LEU 4 H LEU 4 6.738 4.292 -6.777 23 HA LEU 4 HA LEU 4 7.811 6.993 -6.309 24 HB2 LEU 4 HB2 LEU 4 9.266 4.759 -7.751 25 HB3 LEU 4 HB3 LEU 4 9.542 6.457 -8.189 26 HG LEU 4 HG LEU 4 9.905 5.357 -5.372 27 HD11 LEU 4 HD11 LEU 4 12.277 5.623 -5.788 28 HD12 LEU 4 HD12 LEU 4 11.587 4.497 -6.980 29 HD13 LEU 4 HD13 LEU 4 11.950 6.192 -7.445 30 HD21 LEU 4 HD21 LEU 4 11.104 7.566 -5.101 31 HD22 LEU 4 HD22 LEU 4 10.550 8.017 -6.726 32 HD23 LEU 4 HD23 LEU 4 9.366 7.773 -5.415 33 H THR 5 H THR 5 5.249 5.884 -7.148 34 HA THR 5 HA THR 5 5.063 6.536 -10.009 35 HB THR 5 HB THR 5 2.530 6.239 -9.311 36 HG1 THR 5 HG1 THR 5 2.360 4.844 -7.535 37 HG21 THR 5 HG21 THR 5 2.763 3.812 -9.637 38 HG22 THR 5 HG22 THR 5 3.758 4.747 -10.778 39 HG23 THR 5 HG23 THR 5 4.526 3.948 -9.378 40 H GLN 6 H GLN 6 5.082 8.290 -7.065 41 HA GLN 6 HA GLN 6 3.438 10.417 -8.343 42 HB2 GLN 6 HB2 GLN 6 3.511 9.446 -5.463 43 HB3 GLN 6 HB3 GLN 6 2.798 10.992 -5.942 44 HG2 GLN 6 HG2 GLN 6 1.265 9.852 -7.498 45 HG3 GLN 6 HG3 GLN 6 2.096 8.318 -7.258 46 HE21 GLN 6 HE21 GLN 6 -0.789 7.669 -5.328 47 HE22 GLN 6 HE22 GLN 6 -0.071 7.567 -6.924 48 H ILE 7 H ILE 7 4.501 12.093 -8.891 49 HA ILE 7 HA ILE 7 6.982 12.791 -7.403 50 HB ILE 7 HB ILE 7 6.499 13.135 -10.376 51 HG12 ILE 7 HG12 ILE 7 6.436 10.743 -9.981 52 HG13 ILE 7 HG13 ILE 7 7.945 11.191 -10.766 53 HG21 ILE 7 HG21 ILE 7 8.996 13.226 -8.630 54 HG22 ILE 7 HG22 ILE 7 8.986 13.330 -10.405 55 HG23 ILE 7 HG23 ILE 7 8.203 14.597 -9.436 56 HD11 ILE 7 HD11 ILE 7 8.277 9.510 -8.977 57 HD12 ILE 7 HD12 ILE 7 9.151 11.023 -8.635 58 HD13 ILE 7 HD13 ILE 7 7.629 10.652 -7.785 59 H LEU 8 H LEU 8 7.133 14.845 -6.717 60 HA LEU 8 HA LEU 8 5.043 16.789 -7.443 61 HB2 LEU 8 HB2 LEU 8 6.199 16.180 -5.081 62 HB3 LEU 8 HB3 LEU 8 7.341 17.407 -5.605 63 HG LEU 8 HG LEU 8 4.349 17.696 -5.119 64 HD11 LEU 8 HD11 LEU 8 5.111 19.258 -3.383 65 HD12 LEU 8 HD12 LEU 8 5.871 17.669 -3.145 66 HD13 LEU 8 HD13 LEU 8 6.806 18.998 -3.871 67 HD21 LEU 8 HD21 LEU 8 4.701 20.140 -5.522 68 HD22 LEU 8 HD22 LEU 8 6.292 19.767 -6.212 69 HD23 LEU 8 HD23 LEU 8 4.793 19.161 -6.989 70 H ILE 9 H ILE 9 5.584 18.873 -8.392 71 HA ILE 9 HA ILE 9 8.213 18.886 -9.812 72 HB ILE 9 HB ILE 9 5.510 20.016 -10.622 73 HG12 ILE 9 HG12 ILE 9 7.103 17.838 -12.015 74 HG13 ILE 9 HG13 ILE 9 5.894 17.470 -10.773 75 HG21 ILE 9 HG21 ILE 9 6.643 20.579 -12.769 76 HG22 ILE 9 HG22 ILE 9 7.368 21.444 -11.408 77 HG23 ILE 9 HG23 ILE 9 8.189 20.022 -12.082 78 HD11 ILE 9 HD11 ILE 9 4.144 18.585 -12.042 79 HD12 ILE 9 HD12 ILE 9 5.299 19.053 -13.308 80 HD13 ILE 9 HD13 ILE 9 4.921 17.335 -13.036 81 H VAL 10 H VAL 10 9.531 20.607 -9.541 82 HA VAL 10 HA VAL 10 8.367 23.110 -8.427 83 HB VAL 10 HB VAL 10 11.106 22.045 -7.675 84 HG11 VAL 10 HG11 VAL 10 10.805 24.477 -7.555 85 HG12 VAL 10 HG12 VAL 10 9.323 24.271 -6.595 86 HG13 VAL 10 HG13 VAL 10 10.898 23.801 -5.917 87 HG21 VAL 10 HG21 VAL 10 8.526 21.883 -6.062 88 HG22 VAL 10 HG22 VAL 10 9.460 20.508 -6.695 89 HG23 VAL 10 HG23 VAL 10 10.163 21.548 -5.444 90 H GLU 11 H GLU 11 8.746 24.776 -9.777 91 HA GLU 11 HA GLU 11 11.135 24.773 -11.495 92 HB2 GLU 11 HB2 GLU 11 9.436 23.348 -12.633 93 HB3 GLU 11 HB3 GLU 11 8.300 24.706 -12.608 94 HG2 GLU 11 HG2 GLU 11 9.442 24.423 -14.788 95 HG3 GLU 11 HG3 GLU 11 9.743 26.002 -14.066 96 H ASP 12 H ASP 12 11.395 26.818 -12.662 97 HA ASP 12 HA ASP 12 10.233 29.049 -11.088 98 HB2 ASP 12 HB2 ASP 12 12.666 28.743 -11.007 99 HB3 ASP 12 HB3 ASP 12 12.753 28.855 -12.768 100 H GLU 13 H GLU 13 9.910 27.598 -14.175 101 HA GLU 13 HA GLU 13 8.648 30.104 -15.168 102 HB2 GLU 13 HB2 GLU 13 10.417 28.223 -16.771 103 HB3 GLU 13 HB3 GLU 13 9.441 29.539 -17.450 104 HG2 GLU 13 HG2 GLU 13 10.667 31.160 -15.990 105 HG3 GLU 13 HG3 GLU 13 11.712 29.839 -15.446 106 HA PRO 14 HA PRO 14 5.179 27.377 -15.537 107 HB2 PRO 14 HB2 PRO 14 4.330 29.327 -17.662 108 HB3 PRO 14 HB3 PRO 14 3.386 28.708 -16.272 109 HG2 PRO 14 HG2 PRO 14 4.427 31.197 -16.184 110 HG3 PRO 14 HG3 PRO 14 4.569 30.125 -14.747 111 HD2 PRO 14 HD2 PRO 14 6.651 30.663 -16.892 112 HD3 PRO 14 HD3 PRO 14 6.828 30.672 -15.108 113 H LEU 15 H LEU 15 7.209 28.291 -18.271 114 HA LEU 15 HA LEU 15 5.841 26.700 -20.244 115 HB2 LEU 15 HB2 LEU 15 8.726 27.679 -20.129 116 HB3 LEU 15 HB3 LEU 15 7.911 27.047 -21.566 117 HG LEU 15 HG LEU 15 7.109 29.559 -20.032 118 HD11 LEU 15 HD11 LEU 15 9.218 29.797 -21.297 119 HD12 LEU 15 HD12 LEU 15 8.410 29.175 -22.759 120 HD13 LEU 15 HD13 LEU 15 7.911 30.727 -22.054 121 HD21 LEU 15 HD21 LEU 15 6.032 28.351 -22.614 122 HD22 LEU 15 HD22 LEU 15 5.149 28.493 -21.076 123 HD23 LEU 15 HD23 LEU 15 5.610 29.953 -21.974 124 H ILE 16 H ILE 16 8.647 26.094 -18.084 125 HA ILE 16 HA ILE 16 8.967 23.396 -19.176 126 HB ILE 16 HB ILE 16 10.244 24.727 -16.764 127 HG12 ILE 16 HG12 ILE 16 10.792 25.989 -18.766 128 HG13 ILE 16 HG13 ILE 16 12.196 25.080 -18.210 129 HG21 ILE 16 HG21 ILE 16 10.943 22.189 -18.308 130 HG22 ILE 16 HG22 ILE 16 12.000 22.961 -17.108 131 HG23 ILE 16 HG23 ILE 16 10.425 22.308 -16.617 132 HD11 ILE 16 HD11 ILE 16 10.362 24.288 -20.516 133 HD12 ILE 16 HD12 ILE 16 12.000 24.954 -20.654 134 HD13 ILE 16 HD13 ILE 16 11.764 23.348 -19.944 135 H ALA 17 H ALA 17 7.233 24.967 -16.547 136 HA ALA 17 HA ALA 17 6.803 22.608 -14.967 137 HB1 ALA 17 HB1 ALA 17 5.002 23.948 -13.946 138 HB2 ALA 17 HB2 ALA 17 6.489 24.912 -14.130 139 HB3 ALA 17 HB3 ALA 17 5.133 25.140 -15.257 140 H MET 18 H MET 18 5.237 23.960 -17.867 141 HA MET 18 HA MET 18 3.016 22.062 -17.715 142 HB2 MET 18 HB2 MET 18 3.922 24.071 -19.802 143 HB3 MET 18 HB3 MET 18 2.514 23.012 -20.011 144 HG2 MET 18 HG2 MET 18 2.893 24.944 -17.692 145 HG3 MET 18 HG3 MET 18 1.932 25.275 -19.137 146 HE1 MET 18 HE1 MET 18 -0.094 25.935 -17.620 147 HE2 MET 18 HE2 MET 18 -0.754 24.906 -16.327 148 HE3 MET 18 HE3 MET 18 0.884 25.590 -16.177 149 H MET 19 H MET 19 6.269 22.142 -19.114 150 HA MET 19 HA MET 19 5.775 19.908 -20.906 151 HB2 MET 19 HB2 MET 19 8.310 21.123 -19.742 152 HB3 MET 19 HB3 MET 19 8.295 19.762 -20.883 153 HG2 MET 19 HG2 MET 19 7.102 21.112 -22.541 154 HG3 MET 19 HG3 MET 19 7.011 22.464 -21.413 155 HE1 MET 19 HE1 MET 19 10.102 20.030 -22.124 156 HE2 MET 19 HE2 MET 19 9.268 20.246 -23.684 157 HE3 MET 19 HE3 MET 19 10.891 20.928 -23.438 158 H LEU 20 H LEU 20 6.817 20.271 -17.490 159 HA LEU 20 HA LEU 20 7.447 17.476 -17.155 160 HB2 LEU 20 HB2 LEU 20 7.053 19.881 -15.423 161 HB3 LEU 20 HB3 LEU 20 6.754 18.313 -14.660 162 HG LEU 20 HG LEU 20 9.094 19.171 -14.380 163 HD11 LEU 20 HD11 LEU 20 8.760 16.524 -15.828 164 HD12 LEU 20 HD12 LEU 20 10.110 16.984 -14.754 165 HD13 LEU 20 HD13 LEU 20 8.470 16.814 -14.101 166 HD21 LEU 20 HD21 LEU 20 9.414 20.116 -16.653 167 HD22 LEU 20 HD22 LEU 20 10.673 18.949 -16.219 168 HD23 LEU 20 HD23 LEU 20 9.370 18.472 -17.332 169 H GLU 21 H GLU 21 4.437 19.385 -16.909 170 HA GLU 21 HA GLU 21 2.907 17.173 -15.820 171 HB2 GLU 21 HB2 GLU 21 2.207 19.787 -17.202 172 HB3 GLU 21 HB3 GLU 21 0.970 18.638 -16.666 173 HG2 GLU 21 HG2 GLU 21 3.081 19.734 -14.775 174 HG3 GLU 21 HG3 GLU 21 1.530 20.539 -15.064 175 H ASP 22 H ASP 22 3.987 18.114 -19.052 176 HA ASP 22 HA ASP 22 1.925 16.541 -20.377 177 HB2 ASP 22 HB2 ASP 22 2.880 18.582 -21.379 178 HB3 ASP 22 HB3 ASP 22 4.471 17.812 -21.447 179 H PHE 23 H PHE 23 5.437 16.111 -19.585 180 HA PHE 23 HA PHE 23 5.539 13.600 -21.021 181 HB2 PHE 23 HB2 PHE 23 7.383 15.064 -19.133 182 HB3 PHE 23 HB3 PHE 23 7.715 13.410 -19.639 183 HD1 PHE 23 HD1 PHE 23 7.618 12.921 -22.207 184 HD2 PHE 23 HD2 PHE 23 8.179 16.834 -20.506 185 HE1 PHE 23 HE1 PHE 23 8.642 13.696 -24.324 186 HE2 PHE 23 HE2 PHE 23 9.146 17.622 -22.647 187 HZ PHE 23 HZ PHE 23 9.393 16.055 -24.553 188 H LEU 24 H LEU 24 4.570 14.491 -17.716 189 HA LEU 24 HA LEU 24 4.874 11.736 -16.796 190 HB2 LEU 24 HB2 LEU 24 3.525 14.189 -15.613 191 HB3 LEU 24 HB3 LEU 24 3.601 12.620 -14.798 192 HG LEU 24 HG LEU 24 6.049 14.201 -15.691 193 HD11 LEU 24 HD11 LEU 24 6.326 14.691 -13.296 194 HD12 LEU 24 HD12 LEU 24 4.754 15.304 -13.867 195 HD13 LEU 24 HD13 LEU 24 4.834 13.801 -12.920 196 HD21 LEU 24 HD21 LEU 24 6.479 11.776 -15.547 197 HD22 LEU 24 HD22 LEU 24 7.258 12.633 -14.206 198 HD23 LEU 24 HD23 LEU 24 5.747 11.745 -13.918 199 H GLU 25 H GLU 25 2.370 13.573 -18.480 200 HA GLU 25 HA GLU 25 0.357 11.532 -17.839 201 HB2 GLU 25 HB2 GLU 25 0.343 13.988 -19.623 202 HB3 GLU 25 HB3 GLU 25 -1.019 12.856 -19.499 203 HG2 GLU 25 HG2 GLU 25 -1.083 13.200 -17.044 204 HG3 GLU 25 HG3 GLU 25 0.204 14.401 -17.179 205 H VAL 26 H VAL 26 2.797 12.028 -20.314 206 HA VAL 26 HA VAL 26 1.438 10.228 -22.197 207 HB VAL 26 HB VAL 26 4.140 11.623 -22.233 208 HG11 VAL 26 HG11 VAL 26 4.208 10.930 -24.639 209 HG12 VAL 26 HG12 VAL 26 4.336 9.548 -23.538 210 HG13 VAL 26 HG13 VAL 26 2.790 9.896 -24.357 211 HG21 VAL 26 HG21 VAL 26 2.076 13.041 -22.530 212 HG22 VAL 26 HG22 VAL 26 3.087 12.975 -23.987 213 HG23 VAL 26 HG23 VAL 26 1.601 12.005 -23.887 214 H LEU 27 H LEU 27 3.834 9.994 -19.616 215 HA LEU 27 HA LEU 27 4.487 7.234 -20.458 216 HB2 LEU 27 HB2 LEU 27 5.757 9.205 -18.576 217 HB3 LEU 27 HB3 LEU 27 6.050 7.475 -18.380 218 HG LEU 27 HG LEU 27 6.796 7.300 -20.734 219 HD11 LEU 27 HD11 LEU 27 6.684 10.345 -20.681 220 HD12 LEU 27 HD12 LEU 27 7.461 9.357 -21.935 221 HD13 LEU 27 HD13 LEU 27 5.707 9.273 -21.725 222 HD21 LEU 27 HD21 LEU 27 8.389 7.540 -18.895 223 HD22 LEU 27 HD22 LEU 27 8.978 8.409 -20.328 224 HD23 LEU 27 HD23 LEU 27 8.245 9.311 -18.974 225 H ASP 28 H ASP 28 1.838 8.236 -19.237 226 HA ASP 28 HA ASP 28 0.293 7.515 -17.773 227 HB2 ASP 28 HB2 ASP 28 0.688 5.506 -19.174 228 HB3 ASP 28 HB3 ASP 28 1.791 4.887 -17.934 229 H LYS 29 H LYS 29 2.504 8.860 -16.574 230 HA LYS 29 HA LYS 29 3.067 7.511 -14.034 231 HB2 LYS 29 HB2 LYS 29 4.315 9.427 -15.673 232 HB3 LYS 29 HB3 LYS 29 3.782 10.349 -14.263 233 HG2 LYS 29 HG2 LYS 29 5.464 7.809 -14.203 234 HG3 LYS 29 HG3 LYS 29 6.083 9.466 -14.039 235 HD2 LYS 29 HD2 LYS 29 4.554 9.754 -12.043 236 HD3 LYS 29 HD3 LYS 29 4.239 8.003 -12.118 237 HE2 LYS 29 HE2 LYS 29 6.965 9.330 -11.801 238 HE3 LYS 29 HE3 LYS 29 6.028 8.566 -10.508 239 HZ1 LYS 29 HZ1 LYS 29 6.189 6.491 -11.773 240 HZ2 LYS 29 HZ2 LYS 29 7.154 7.230 -12.883 241 HZ3 LYS 29 HZ3 LYS 29 7.654 7.063 -11.323 242 H THR 30 H THR 30 2.565 8.696 -11.932 243 HA THR 30 HA THR 30 -0.093 10.035 -12.154 244 HB THR 30 HB THR 30 1.027 8.450 -9.802 245 HG1 THR 30 HG1 THR 30 0.534 7.182 -11.634 246 HG21 THR 30 HG21 THR 30 -1.728 9.601 -10.416 247 HG22 THR 30 HG22 THR 30 -1.323 8.559 -9.032 248 HG23 THR 30 HG23 THR 30 -0.616 10.184 -9.159 249 HA PRO 31 HA PRO 31 2.762 13.326 -10.601 250 HB2 PRO 31 HB2 PRO 31 1.446 15.439 -11.740 251 HB3 PRO 31 HB3 PRO 31 2.625 14.430 -12.639 252 HG2 PRO 31 HG2 PRO 31 -0.394 14.164 -12.597 253 HG3 PRO 31 HG3 PRO 31 0.690 14.223 -14.029 254 HD2 PRO 31 HD2 PRO 31 -0.178 11.862 -13.036 255 HD3 PRO 31 HD3 PRO 31 1.513 12.036 -13.599 256 H VAL 32 H VAL 32 2.275 15.023 -8.999 257 HA VAL 32 HA VAL 32 -0.427 14.675 -7.785 258 HB VAL 32 HB VAL 32 0.602 14.490 -5.569 259 HG11 VAL 32 HG11 VAL 32 1.852 12.426 -7.414 260 HG12 VAL 32 HG12 VAL 32 1.281 12.225 -5.746 261 HG13 VAL 32 HG13 VAL 32 0.104 12.473 -7.050 262 HG21 VAL 32 HG21 VAL 32 3.025 13.998 -5.380 263 HG22 VAL 32 HG22 VAL 32 3.237 14.389 -7.090 264 HG23 VAL 32 HG23 VAL 32 2.733 15.663 -5.950 265 H GLY 33 H GLY 33 1.955 16.951 -8.816 266 HA2 GLY 33 HA2 GLY 33 0.360 19.140 -8.351 267 HA3 GLY 33 HA3 GLY 33 1.263 18.977 -6.844 268 H THR 34 H THR 34 1.573 21.262 -8.106 269 HA THR 34 HA THR 34 4.410 21.191 -8.923 270 HB THR 34 HB THR 34 2.237 22.706 -10.437 271 HG1 THR 34 HG1 THR 34 2.333 20.492 -10.946 272 HG21 THR 34 HG21 THR 34 4.118 23.264 -11.987 273 HG22 THR 34 HG22 THR 34 4.334 23.976 -10.379 274 HG23 THR 34 HG23 THR 34 5.255 22.524 -10.827 275 H VAL 35 H VAL 35 5.550 22.952 -8.122 276 HA VAL 35 HA VAL 35 4.023 25.181 -6.913 277 HB VAL 35 HB VAL 35 5.431 25.041 -4.863 278 HG11 VAL 35 HG11 VAL 35 3.764 22.541 -5.365 279 HG12 VAL 35 HG12 VAL 35 4.166 23.253 -3.790 280 HG13 VAL 35 HG13 VAL 35 3.114 24.137 -4.915 281 HG21 VAL 35 HG21 VAL 35 6.554 22.927 -4.315 282 HG22 VAL 35 HG22 VAL 35 6.158 22.271 -5.910 283 HG23 VAL 35 HG23 VAL 35 7.270 23.655 -5.768 284 H ASP 36 H ASP 36 5.427 27.003 -6.285 285 HA ASP 36 HA ASP 36 7.423 27.441 -8.423 286 HB2 ASP 36 HB2 ASP 36 5.598 29.021 -8.245 287 HB3 ASP 36 HB3 ASP 36 5.899 29.253 -6.521 288 H THR 37 H THR 37 7.400 26.600 -5.094 289 HA THR 37 HA THR 37 10.269 27.214 -4.910 290 HB THR 37 HB THR 37 9.237 29.265 -4.055 291 HG1 THR 37 HG1 THR 37 11.053 28.644 -2.971 292 HG21 THR 37 HG21 THR 37 7.833 29.234 -2.045 293 HG22 THR 37 HG22 THR 37 7.036 28.372 -3.380 294 HG23 THR 37 HG23 THR 37 7.810 27.457 -2.064 295 H VAL 38 H VAL 38 11.298 26.141 -3.079 296 HA VAL 38 HA VAL 38 10.288 23.457 -2.824 297 HB VAL 38 HB VAL 38 12.568 24.732 -1.267 298 HG11 VAL 38 HG11 VAL 38 11.887 22.430 -0.595 299 HG12 VAL 38 HG12 VAL 38 12.061 21.894 -2.282 300 HG13 VAL 38 HG13 VAL 38 13.486 22.434 -1.366 301 HG21 VAL 38 HG21 VAL 38 12.927 25.246 -3.641 302 HG22 VAL 38 HG22 VAL 38 14.020 23.942 -3.130 303 HG23 VAL 38 HG23 VAL 38 12.565 23.554 -4.071 304 H ALA 39 H ALA 39 9.984 26.389 -0.903 305 HA ALA 39 HA ALA 39 9.309 25.107 1.577 306 HB1 ALA 39 HB1 ALA 39 8.359 27.318 2.141 307 HB2 ALA 39 HB2 ALA 39 9.961 27.482 1.389 308 HB3 ALA 39 HB3 ALA 39 8.492 27.811 0.440 309 H GLY 40 H GLY 40 7.574 25.731 -1.434 310 HA2 GLY 40 HA2 GLY 40 4.929 25.151 -0.332 311 HA3 GLY 40 HA3 GLY 40 5.378 25.347 -2.042 312 H ALA 41 H ALA 41 7.644 23.371 -1.757 313 HA ALA 41 HA ALA 41 6.120 20.972 -2.307 314 HB1 ALA 41 HB1 ALA 41 8.253 21.494 -3.452 315 HB2 ALA 41 HB2 ALA 41 9.114 21.410 -1.896 316 HB3 ALA 41 HB3 ALA 41 8.361 19.951 -2.570 317 H LEU 42 H LEU 42 7.830 22.328 0.497 318 HA LEU 42 HA LEU 42 7.756 19.896 2.051 319 HB2 LEU 42 HB2 LEU 42 9.346 21.764 2.342 320 HB3 LEU 42 HB3 LEU 42 8.042 22.830 2.843 321 HG LEU 42 HG LEU 42 9.542 21.843 4.642 322 HD11 LEU 42 HD11 LEU 42 6.567 21.325 5.014 323 HD12 LEU 42 HD12 LEU 42 7.776 21.618 6.272 324 HD13 LEU 42 HD13 LEU 42 7.366 22.913 5.131 325 HD21 LEU 42 HD21 LEU 42 9.592 19.518 3.777 326 HD22 LEU 42 HD22 LEU 42 9.056 19.611 5.468 327 HD23 LEU 42 HD23 LEU 42 7.865 19.346 4.180 328 H ALA 43 H ALA 43 5.610 22.725 1.595 329 HA ALA 43 HA ALA 43 3.782 22.027 3.689 330 HB1 ALA 43 HB1 ALA 43 3.378 23.666 1.152 331 HB2 ALA 43 HB2 ALA 43 2.312 23.666 2.579 332 HB3 ALA 43 HB3 ALA 43 3.968 24.291 2.706 333 H ARG 44 H ARG 44 4.213 20.878 0.377 334 HA ARG 44 HA ARG 44 1.582 19.569 0.322 335 HB2 ARG 44 HB2 ARG 44 3.988 19.615 -1.530 336 HB3 ARG 44 HB3 ARG 44 2.573 18.601 -1.832 337 HG2 ARG 44 HG2 ARG 44 2.490 21.632 -1.526 338 HG3 ARG 44 HG3 ARG 44 2.488 20.758 -3.067 339 HD2 ARG 44 HD2 ARG 44 0.365 20.610 -0.893 340 HD3 ARG 44 HD3 ARG 44 0.213 21.411 -2.455 341 HE ARG 44 HE ARG 44 0.563 19.109 -3.486 342 HH11 ARG 44 HH11 ARG 44 -0.915 19.525 -0.289 343 HH12 ARG 44 HH12 ARG 44 -1.743 17.983 -0.362 344 HH21 ARG 44 HH21 ARG 44 -0.578 17.142 -3.550 345 HH22 ARG 44 HH22 ARG 44 -1.573 16.662 -2.194 346 H VAL 45 H VAL 45 4.855 18.804 1.338 347 HA VAL 45 HA VAL 45 4.364 15.916 1.389 348 HB VAL 45 HB VAL 45 6.581 17.749 2.344 349 HG11 VAL 45 HG11 VAL 45 6.415 14.718 2.648 350 HG12 VAL 45 HG12 VAL 45 7.870 15.705 2.915 351 HG13 VAL 45 HG13 VAL 45 6.470 15.906 3.976 352 HG21 VAL 45 HG21 VAL 45 6.336 17.200 -0.101 353 HG22 VAL 45 HG22 VAL 45 7.844 16.582 0.601 354 HG23 VAL 45 HG23 VAL 45 6.476 15.482 0.307 355 H GLU 46 H GLU 46 3.785 18.685 3.456 356 HA GLU 46 HA GLU 46 3.517 17.198 5.907 357 HB2 GLU 46 HB2 GLU 46 3.908 19.713 5.583 358 HB3 GLU 46 HB3 GLU 46 2.200 19.835 5.147 359 HG2 GLU 46 HG2 GLU 46 2.498 20.395 7.498 360 HG3 GLU 46 HG3 GLU 46 1.599 18.878 7.387 361 H ASP 47 H ASP 47 1.641 17.429 3.054 362 HA ASP 47 HA ASP 47 -0.863 16.573 4.387 363 HB2 ASP 47 HB2 ASP 47 -0.928 18.456 2.791 364 HB3 ASP 47 HB3 ASP 47 -0.232 17.425 1.535 365 H GLY 48 H GLY 48 1.926 15.289 2.877 366 HA2 GLY 48 HA2 GLY 48 2.489 13.118 2.354 367 HA3 GLY 48 HA3 GLY 48 0.902 12.599 2.936 368 H GLY 49 H GLY 49 1.227 11.096 1.002 369 HA2 GLY 49 HA2 GLY 49 0.246 10.462 -0.982 370 HA3 GLY 49 HA3 GLY 49 -0.374 12.109 -1.209 371 H ILE 50 H ILE 50 3.067 11.633 -0.592 372 HA ILE 50 HA ILE 50 3.676 11.895 -3.487 373 HB ILE 50 HB ILE 50 4.953 13.601 -1.314 374 HG12 ILE 50 HG12 ILE 50 2.745 14.270 -3.305 375 HG13 ILE 50 HG13 ILE 50 2.644 14.285 -1.535 376 HG21 ILE 50 HG21 ILE 50 6.383 13.117 -3.268 377 HG22 ILE 50 HG22 ILE 50 5.109 13.694 -4.361 378 HG23 ILE 50 HG23 ILE 50 5.916 14.818 -3.242 379 HD11 ILE 50 HD11 ILE 50 2.832 16.546 -2.310 380 HD12 ILE 50 HD12 ILE 50 4.353 16.116 -1.491 381 HD13 ILE 50 HD13 ILE 50 4.269 16.166 -3.276 382 H ASP 51 H ASP 51 5.715 11.025 -4.095 383 HA ASP 51 HA ASP 51 7.022 9.368 -1.973 384 HB2 ASP 51 HB2 ASP 51 6.272 8.782 -4.842 385 HB3 ASP 51 HB3 ASP 51 7.580 7.911 -4.040 386 H ALA 52 H ALA 52 7.478 11.500 -4.792 387 HA ALA 52 HA ALA 52 10.181 12.083 -3.872 388 HB1 ALA 52 HB1 ALA 52 10.615 10.071 -5.199 389 HB2 ALA 52 HB2 ALA 52 9.707 10.753 -6.570 390 HB3 ALA 52 HB3 ALA 52 11.237 11.503 -6.044 391 H ALA 53 H ALA 53 11.189 13.681 -5.682 392 HA ALA 53 HA ALA 53 9.086 15.230 -7.036 393 HB1 ALA 53 HB1 ALA 53 10.817 16.416 -4.829 394 HB2 ALA 53 HB2 ALA 53 9.686 17.318 -5.868 395 HB3 ALA 53 HB3 ALA 53 9.069 16.106 -4.724 396 H ILE 54 H ILE 54 9.932 16.953 -8.372 397 HA ILE 54 HA ILE 54 12.799 16.634 -9.141 398 HB ILE 54 HB ILE 54 10.449 17.632 -10.800 399 HG12 ILE 54 HG12 ILE 54 10.275 15.223 -10.467 400 HG13 ILE 54 HG13 ILE 54 10.700 15.608 -12.136 401 HG21 ILE 54 HG21 ILE 54 12.084 17.515 -12.672 402 HG22 ILE 54 HG22 ILE 54 12.510 18.727 -11.450 403 HG23 ILE 54 HG23 ILE 54 13.378 17.179 -11.493 404 HD11 ILE 54 HD11 ILE 54 12.626 14.630 -9.984 405 HD12 ILE 54 HD12 ILE 54 11.980 13.685 -11.339 406 HD13 ILE 54 HD13 ILE 54 13.083 15.042 -11.656 407 H LEU 55 H LEU 55 14.051 18.522 -9.223 408 HA LEU 55 HA LEU 55 12.721 21.042 -8.408 409 HB2 LEU 55 HB2 LEU 55 13.351 19.915 -6.339 410 HB3 LEU 55 HB3 LEU 55 14.978 19.604 -6.961 411 HG LEU 55 HG LEU 55 15.508 21.981 -6.946 412 HD11 LEU 55 HD11 LEU 55 13.286 22.931 -7.469 413 HD12 LEU 55 HD12 LEU 55 12.664 22.336 -5.906 414 HD13 LEU 55 HD13 LEU 55 13.906 23.611 -5.960 415 HD21 LEU 55 HD21 LEU 55 15.807 20.647 -4.875 416 HD22 LEU 55 HD22 LEU 55 15.402 22.344 -4.512 417 HD23 LEU 55 HD23 LEU 55 14.159 21.080 -4.367 418 H ASP 56 H ASP 56 13.465 22.739 -9.538 419 HA ASP 56 HA ASP 56 15.812 22.412 -11.228 420 HB2 ASP 56 HB2 ASP 56 15.249 24.542 -12.122 421 HB3 ASP 56 HB3 ASP 56 13.738 23.637 -11.924 422 H VAL 57 H VAL 57 17.699 23.775 -11.150 423 HA VAL 57 HA VAL 57 18.444 24.569 -8.394 424 HB VAL 57 HB VAL 57 20.134 24.292 -10.907 425 HG11 VAL 57 HG11 VAL 57 20.878 24.574 -7.969 426 HG12 VAL 57 HG12 VAL 57 22.009 24.167 -9.278 427 HG13 VAL 57 HG13 VAL 57 21.217 25.748 -9.272 428 HG21 VAL 57 HG21 VAL 57 19.160 22.114 -10.213 429 HG22 VAL 57 HG22 VAL 57 20.898 22.166 -9.872 430 HG23 VAL 57 HG23 VAL 57 19.728 22.389 -8.552 431 H ASN 58 H ASN 58 17.201 25.932 -11.238 432 HA ASN 58 HA ASN 58 18.616 28.460 -11.125 433 HB2 ASN 58 HB2 ASN 58 16.177 27.633 -12.740 434 HB3 ASN 58 HB3 ASN 58 17.190 29.058 -13.018 435 HD21 ASN 58 HD21 ASN 58 19.968 27.179 -14.362 436 HD22 ASN 58 HD22 ASN 58 19.581 28.610 -13.433 437 H LEU 59 H LEU 59 17.130 27.641 -8.694 438 HA LEU 59 HA LEU 59 14.696 29.048 -8.386 439 HB2 LEU 59 HB2 LEU 59 16.883 28.432 -6.365 440 HB3 LEU 59 HB3 LEU 59 15.245 28.943 -5.951 441 HG LEU 59 HG LEU 59 15.941 26.396 -7.477 442 HD11 LEU 59 HD11 LEU 59 15.062 26.830 -4.590 443 HD12 LEU 59 HD12 LEU 59 15.327 25.258 -5.378 444 HD13 LEU 59 HD13 LEU 59 16.695 26.357 -5.118 445 HD21 LEU 59 HD21 LEU 59 13.681 27.238 -8.022 446 HD22 LEU 59 HD22 LEU 59 13.575 25.798 -7.001 447 HD23 LEU 59 HD23 LEU 59 13.317 27.412 -6.288 448 H ARG 60 H ARG 60 14.249 31.036 -7.265 449 HA ARG 60 HA ARG 60 16.070 33.167 -8.097 450 HB2 ARG 60 HB2 ARG 60 13.430 33.324 -6.602 451 HB3 ARG 60 HB3 ARG 60 14.288 34.665 -7.396 452 HG2 ARG 60 HG2 ARG 60 14.089 33.422 -9.577 453 HG3 ARG 60 HG3 ARG 60 13.096 32.206 -8.744 454 HD2 ARG 60 HD2 ARG 60 12.464 35.170 -9.038 455 HD3 ARG 60 HD3 ARG 60 11.687 33.851 -9.917 456 HE ARG 60 HE ARG 60 11.236 34.664 -7.131 457 HH11 ARG 60 HH11 ARG 60 10.779 32.065 -9.512 458 HH12 ARG 60 HH12 ARG 60 9.393 31.414 -8.678 459 HH21 ARG 60 HH21 ARG 60 9.434 33.754 -6.077 460 HH22 ARG 60 HH22 ARG 60 8.670 32.328 -6.744 461 H GLY 61 H GLY 61 17.152 34.627 -6.755 462 HA2 GLY 61 HA2 GLY 61 18.312 35.302 -4.893 463 HA3 GLY 61 HA3 GLY 61 17.073 34.526 -3.893 464 H GLY 62 H GLY 62 19.266 34.195 -2.671 465 HA2 GLY 62 HA2 GLY 62 20.697 32.611 -1.784 466 HA3 GLY 62 HA3 GLY 62 19.867 31.399 -2.773 467 H GLU 63 H GLU 63 22.070 30.479 -2.915 468 HA GLU 63 HA GLU 63 23.588 31.718 -5.163 469 HB2 GLU 63 HB2 GLU 63 25.651 30.816 -4.073 470 HB3 GLU 63 HB3 GLU 63 24.876 32.151 -3.212 471 HG2 GLU 63 HG2 GLU 63 23.832 30.572 -1.630 472 HG3 GLU 63 HG3 GLU 63 24.582 29.211 -2.473 473 H LYS 64 H LYS 64 21.953 30.299 -6.272 474 HA LYS 64 HA LYS 64 21.379 28.411 -7.388 475 HB2 LYS 64 HB2 LYS 64 24.393 28.055 -7.427 476 HB3 LYS 64 HB3 LYS 64 23.242 27.263 -8.521 477 HG2 LYS 64 HG2 LYS 64 22.474 29.473 -9.329 478 HG3 LYS 64 HG3 LYS 64 23.662 30.269 -8.272 479 HD2 LYS 64 HD2 LYS 64 25.493 29.079 -9.455 480 HD3 LYS 64 HD3 LYS 64 24.292 28.303 -10.512 481 HE2 LYS 64 HE2 LYS 64 23.546 30.533 -11.292 482 HE3 LYS 64 HE3 LYS 64 24.741 31.306 -10.236 483 HZ1 LYS 64 HZ1 LYS 64 26.466 30.183 -11.473 484 HZ2 LYS 64 HZ2 LYS 64 25.354 29.474 -12.458 485 HZ3 LYS 64 HZ3 LYS 64 25.550 31.106 -12.478 486 H SER 65 H SER 65 21.389 28.107 -4.466 487 HA SER 65 HA SER 65 21.255 25.175 -4.419 488 HB2 SER 65 HB2 SER 65 23.598 25.685 -3.761 489 HB3 SER 65 HB3 SER 65 22.991 26.740 -2.465 490 HG SER 65 HG SER 65 23.461 24.619 -1.729 491 H THR 66 H THR 66 20.158 24.410 -2.414 492 HA THR 66 HA THR 66 18.771 26.476 -0.848 493 HB THR 66 HB THR 66 17.236 26.221 -2.658 494 HG1 THR 66 HG1 THR 66 15.492 25.460 -1.491 495 HG21 THR 66 HG21 THR 66 18.028 24.049 -3.576 496 HG22 THR 66 HG22 THR 66 17.308 23.212 -2.180 497 HG23 THR 66 HG23 THR 66 16.273 24.085 -3.339 498 HA PRO 67 HA PRO 67 19.555 23.236 2.120 499 HB2 PRO 67 HB2 PRO 67 18.715 24.488 4.361 500 HB3 PRO 67 HB3 PRO 67 20.120 25.115 3.433 501 HG2 PRO 67 HG2 PRO 67 17.222 26.018 3.265 502 HG3 PRO 67 HG3 PRO 67 18.675 27.045 3.516 503 HD2 PRO 67 HD2 PRO 67 17.573 26.643 1.040 504 HD3 PRO 67 HD3 PRO 67 19.343 26.818 1.273 505 H VAL 68 H VAL 68 16.453 24.387 1.100 506 HA VAL 68 HA VAL 68 14.900 22.911 3.069 507 HB VAL 68 HB VAL 68 13.981 24.137 0.443 508 HG11 VAL 68 HG11 VAL 68 11.816 24.311 1.637 509 HG12 VAL 68 HG12 VAL 68 12.343 22.620 1.562 510 HG13 VAL 68 HG13 VAL 68 12.533 23.542 3.068 511 HG21 VAL 68 HG21 VAL 68 15.142 25.854 1.768 512 HG22 VAL 68 HG22 VAL 68 13.389 26.120 1.834 513 HG23 VAL 68 HG23 VAL 68 14.225 25.378 3.218 514 H ALA 69 H ALA 69 16.380 22.178 -0.039 515 HA ALA 69 HA ALA 69 14.682 20.001 -0.784 516 HB1 ALA 69 HB1 ALA 69 16.330 21.025 -2.304 517 HB2 ALA 69 HB2 ALA 69 17.661 20.471 -1.260 518 HB3 ALA 69 HB3 ALA 69 16.657 19.287 -2.118 519 H GLU 70 H GLU 70 17.363 20.336 1.534 520 HA GLU 70 HA GLU 70 17.691 17.489 1.914 521 HB2 GLU 70 HB2 GLU 70 18.597 19.872 3.571 522 HB3 GLU 70 HB3 GLU 70 19.127 18.191 3.799 523 HG2 GLU 70 HG2 GLU 70 19.980 18.169 1.452 524 HG3 GLU 70 HG3 GLU 70 19.505 19.858 1.273 525 H ALA 71 H ALA 71 15.414 19.855 3.121 526 HA ALA 71 HA ALA 71 14.700 18.304 5.475 527 HB1 ALA 71 HB1 ALA 71 12.790 19.843 5.586 528 HB2 ALA 71 HB2 ALA 71 14.294 20.745 5.306 529 HB3 ALA 71 HB3 ALA 71 13.159 20.458 3.961 530 H LEU 72 H LEU 72 13.815 18.395 2.029 531 HA LEU 72 HA LEU 72 11.538 16.623 2.287 532 HB2 LEU 72 HB2 LEU 72 13.381 17.120 -0.087 533 HB3 LEU 72 HB3 LEU 72 11.790 16.359 -0.144 534 HG LEU 72 HG LEU 72 12.338 19.243 0.680 535 HD11 LEU 72 HD11 LEU 72 11.081 18.037 -1.820 536 HD12 LEU 72 HD12 LEU 72 11.208 19.771 -1.456 537 HD13 LEU 72 HD13 LEU 72 12.680 18.805 -1.724 538 HD21 LEU 72 HD21 LEU 72 10.351 18.327 1.832 539 HD22 LEU 72 HD22 LEU 72 9.866 19.469 0.562 540 HD23 LEU 72 HD23 LEU 72 9.724 17.721 0.280 541 H ALA 73 H ALA 73 15.066 16.203 1.894 542 HA ALA 73 HA ALA 73 14.897 13.344 1.517 543 HB1 ALA 73 HB1 ALA 73 16.809 14.661 0.718 544 HB2 ALA 73 HB2 ALA 73 17.199 15.137 2.391 545 HB3 ALA 73 HB3 ALA 73 17.346 13.439 1.886 546 H ALA 74 H ALA 74 14.747 15.472 4.288 547 HA ALA 74 HA ALA 74 15.456 13.373 6.199 548 HB1 ALA 74 HB1 ALA 74 16.035 15.735 6.611 549 HB2 ALA 74 HB2 ALA 74 14.311 16.167 6.586 550 HB3 ALA 74 HB3 ALA 74 14.939 15.114 7.869 551 H ARG 75 H ARG 75 12.625 14.403 4.503 552 HA ARG 75 HA ARG 75 10.873 12.970 6.426 553 HB2 ARG 75 HB2 ARG 75 10.183 14.949 4.232 554 HB3 ARG 75 HB3 ARG 75 9.008 14.071 5.238 555 HG2 ARG 75 HG2 ARG 75 10.087 15.043 7.286 556 HG3 ARG 75 HG3 ARG 75 11.139 16.006 6.237 557 HD2 ARG 75 HD2 ARG 75 9.295 17.385 6.922 558 HD3 ARG 75 HD3 ARG 75 9.082 17.016 5.199 559 HE ARG 75 HE ARG 75 7.600 15.057 6.244 560 HH11 ARG 75 HH11 ARG 75 7.743 18.460 7.210 561 HH12 ARG 75 HH12 ARG 75 6.103 18.467 7.821 562 HH21 ARG 75 HH21 ARG 75 5.469 15.106 7.050 563 HH22 ARG 75 HH22 ARG 75 4.833 16.574 7.746 564 H ASP 76 H ASP 76 12.761 11.757 4.429 565 HA ASP 76 HA ASP 76 12.820 10.021 3.010 566 HB2 ASP 76 HB2 ASP 76 11.790 9.029 5.036 567 HB3 ASP 76 HB3 ASP 76 10.190 9.279 4.324 568 H ILE 77 H ILE 77 11.899 12.331 1.754 569 HA ILE 77 HA ILE 77 10.410 11.061 -0.464 570 HB ILE 77 HB ILE 77 8.812 12.231 0.859 571 HG12 ILE 77 HG12 ILE 77 8.541 12.158 -1.597 572 HG13 ILE 77 HG13 ILE 77 7.684 13.463 -0.778 573 HG21 ILE 77 HG21 ILE 77 10.138 13.899 1.977 574 HG22 ILE 77 HG22 ILE 77 10.386 14.790 0.455 575 HG23 ILE 77 HG23 ILE 77 8.759 14.638 1.152 576 HD11 ILE 77 HD11 ILE 77 10.229 13.753 -2.414 577 HD12 ILE 77 HD12 ILE 77 8.602 14.311 -2.833 578 HD13 ILE 77 HD13 ILE 77 9.459 15.068 -1.481 579 HA PRO 78 HA PRO 78 14.541 12.525 -1.643 580 HB2 PRO 78 HB2 PRO 78 13.846 10.662 -3.905 581 HB3 PRO 78 HB3 PRO 78 15.393 10.815 -3.008 582 HG2 PRO 78 HG2 PRO 78 13.718 8.772 -2.450 583 HG3 PRO 78 HG3 PRO 78 14.460 9.704 -1.098 584 HD2 PRO 78 HD2 PRO 78 11.701 10.049 -2.314 585 HD3 PRO 78 HD3 PRO 78 12.157 9.904 -0.587 586 H PHE 79 H PHE 79 15.483 13.513 -3.615 587 HA PHE 79 HA PHE 79 13.495 14.687 -5.468 588 HB2 PHE 79 HB2 PHE 79 14.408 16.924 -5.079 589 HB3 PHE 79 HB3 PHE 79 13.717 16.254 -3.599 590 HD1 PHE 79 HD1 PHE 79 15.041 15.985 -1.636 591 HD2 PHE 79 HD2 PHE 79 16.932 16.904 -5.391 592 HE1 PHE 79 HE1 PHE 79 17.190 16.419 -0.461 593 HE2 PHE 79 HE2 PHE 79 19.071 17.297 -4.218 594 HZ PHE 79 HZ PHE 79 19.191 17.078 -1.739 595 H VAL 80 H VAL 80 14.642 15.957 -7.217 596 HA VAL 80 HA VAL 80 17.359 14.937 -7.865 597 HB VAL 80 HB VAL 80 14.893 14.885 -9.656 598 HG11 VAL 80 HG11 VAL 80 17.821 14.390 -10.313 599 HG12 VAL 80 HG12 VAL 80 16.457 13.939 -11.371 600 HG13 VAL 80 HG13 VAL 80 16.759 15.643 -10.989 601 HG21 VAL 80 HG21 VAL 80 16.749 12.680 -8.657 602 HG22 VAL 80 HG22 VAL 80 15.063 12.943 -8.157 603 HG23 VAL 80 HG23 VAL 80 15.428 12.468 -9.827 604 H PHE 81 H PHE 81 18.658 16.453 -8.916 605 HA PHE 81 HA PHE 81 17.574 19.193 -8.985 606 HB2 PHE 81 HB2 PHE 81 20.358 18.088 -9.427 607 HB3 PHE 81 HB3 PHE 81 19.937 19.796 -9.502 608 HD1 PHE 81 HD1 PHE 81 18.233 20.280 -7.178 609 HD2 PHE 81 HD2 PHE 81 21.691 17.752 -7.574 610 HE1 PHE 81 HE1 PHE 81 18.679 20.506 -4.753 611 HE2 PHE 81 HE2 PHE 81 22.148 18.004 -5.142 612 HZ PHE 81 HZ PHE 81 20.643 19.383 -3.737 613 H ALA 82 H ALA 82 17.590 20.531 -10.832 614 HA ALA 82 HA ALA 82 18.347 19.329 -13.420 615 HB1 ALA 82 HB1 ALA 82 15.600 20.512 -12.849 616 HB2 ALA 82 HB2 ALA 82 16.193 19.962 -14.434 617 HB3 ALA 82 HB3 ALA 82 15.946 18.790 -13.119 618 H THR 83 H THR 83 19.156 20.849 -14.867 619 HA THR 83 HA THR 83 18.595 23.686 -14.509 620 HB THR 83 HB THR 83 20.280 23.289 -12.743 621 HG1 THR 83 HG1 THR 83 21.682 24.915 -13.474 622 HG21 THR 83 HG21 THR 83 22.125 22.485 -15.039 623 HG22 THR 83 HG22 THR 83 22.590 22.710 -13.340 624 HG23 THR 83 HG23 THR 83 21.491 21.387 -13.792 625 H GLY 84 H GLY 84 19.527 25.000 -16.202 626 HA2 GLY 84 HA2 GLY 84 20.408 23.440 -18.590 627 HA3 GLY 84 HA3 GLY 84 19.641 25.039 -18.624 628 H GLY 85 H GLY 85 22.592 23.399 -18.784 629 HA2 GLY 85 HA2 GLY 85 24.325 25.375 -19.324 630 HA3 GLY 85 HA3 GLY 85 24.221 25.524 -17.565 631 H SER 86 H SER 86 26.564 25.011 -17.716 632 HA SER 86 HA SER 86 27.356 22.305 -18.411 633 HB2 SER 86 HB2 SER 86 28.826 24.471 -16.867 634 HB3 SER 86 HB3 SER 86 29.537 23.001 -17.552 635 HG SER 86 HG SER 86 28.911 23.739 -19.616 636 H ASP 87 H ASP 87 28.392 20.817 -16.869 637 HA ASP 87 HA ASP 87 26.684 20.488 -14.533 638 HB2 ASP 87 HB2 ASP 87 27.748 18.309 -14.360 639 HB3 ASP 87 HB3 ASP 87 27.236 18.604 -16.026 640 H ASP 88 H ASP 88 29.477 22.262 -15.051 641 HA ASP 88 HA ASP 88 30.687 21.616 -12.446 642 HB2 ASP 88 HB2 ASP 88 32.068 21.887 -14.495 643 HB3 ASP 88 HB3 ASP 88 31.564 23.581 -14.591 644 H SER 89 H SER 89 28.121 23.453 -13.409 645 HA SER 89 HA SER 89 28.711 25.890 -11.905 646 HB2 SER 89 HB2 SER 89 26.166 24.930 -13.261 647 HB3 SER 89 HB3 SER 89 26.457 26.563 -12.629 648 HG SER 89 HG SER 89 28.169 26.758 -14.110 649 H VAL 90 H VAL 90 28.198 22.926 -10.761 650 HA VAL 90 HA VAL 90 26.649 23.896 -8.425 651 HB VAL 90 HB VAL 90 25.555 21.659 -8.323 652 HG11 VAL 90 HG11 VAL 90 24.841 23.322 -10.768 653 HG12 VAL 90 HG12 VAL 90 23.775 22.189 -9.903 654 HG13 VAL 90 HG13 VAL 90 24.345 23.658 -9.089 655 HG21 VAL 90 HG21 VAL 90 26.442 21.446 -11.235 656 HG22 VAL 90 HG22 VAL 90 27.054 20.453 -9.891 657 HG23 VAL 90 HG23 VAL 90 25.351 20.333 -10.388 658 H ASP 91 H ASP 91 27.049 22.740 -6.479 659 HA ASP 91 HA ASP 91 29.807 21.958 -6.159 660 HB2 ASP 91 HB2 ASP 91 27.434 21.857 -4.269 661 HB3 ASP 91 HB3 ASP 91 29.121 21.586 -3.806 662 H SER 92 H SER 92 30.331 19.922 -4.825 663 HA SER 92 HA SER 92 29.876 17.695 -6.505 664 HB2 SER 92 HB2 SER 92 31.098 16.451 -4.742 665 HB3 SER 92 HB3 SER 92 31.880 17.992 -5.160 666 HG SER 92 HG SER 92 31.699 17.643 -2.888 667 H ARG 93 H ARG 93 27.877 18.945 -3.951 668 HA ARG 93 HA ARG 93 26.677 16.394 -3.218 669 HB2 ARG 93 HB2 ARG 93 25.612 19.217 -2.836 670 HB3 ARG 93 HB3 ARG 93 25.102 17.751 -1.975 671 HG2 ARG 93 HG2 ARG 93 27.481 17.519 -1.127 672 HG3 ARG 93 HG3 ARG 93 27.838 19.098 -1.865 673 HD2 ARG 93 HD2 ARG 93 27.343 19.504 0.439 674 HD3 ARG 93 HD3 ARG 93 25.943 20.064 -0.491 675 HE ARG 93 HE ARG 93 25.899 17.301 0.594 676 HH11 ARG 93 HH11 ARG 93 24.744 20.637 0.841 677 HH12 ARG 93 HH12 ARG 93 23.394 20.208 1.869 678 HH21 ARG 93 HH21 ARG 93 24.173 16.791 1.985 679 HH22 ARG 93 HH22 ARG 93 23.105 18.056 2.550 680 H PHE 94 H PHE 94 26.241 18.744 -5.777 681 HA PHE 94 HA PHE 94 23.645 17.628 -6.583 682 HB2 PHE 94 HB2 PHE 94 25.548 19.560 -7.957 683 HB3 PHE 94 HB3 PHE 94 23.911 19.196 -8.488 684 HD1 PHE 94 HD1 PHE 94 22.183 20.622 -7.878 685 HD2 PHE 94 HD2 PHE 94 25.760 20.536 -5.496 686 HE1 PHE 94 HE1 PHE 94 21.328 22.509 -6.524 687 HE2 PHE 94 HE2 PHE 94 24.895 22.416 -4.126 688 HZ PHE 94 HZ PHE 94 22.675 23.401 -4.640 689 H ARG 95 H ARG 95 27.061 17.144 -7.124 690 HA ARG 95 HA ARG 95 26.681 15.668 -9.626 691 HB2 ARG 95 HB2 ARG 95 29.150 15.918 -7.862 692 HB3 ARG 95 HB3 ARG 95 29.097 15.395 -9.556 693 HG2 ARG 95 HG2 ARG 95 28.253 17.644 -10.222 694 HG3 ARG 95 HG3 ARG 95 28.309 18.157 -8.525 695 HD2 ARG 95 HD2 ARG 95 30.784 17.535 -8.540 696 HD3 ARG 95 HD3 ARG 95 30.642 17.393 -10.304 697 HE ARG 95 HE ARG 95 29.688 19.910 -9.079 698 HH11 ARG 95 HH11 ARG 95 32.315 18.263 -10.788 699 HH12 ARG 95 HH12 ARG 95 33.098 19.762 -11.237 700 HH21 ARG 95 HH21 ARG 95 30.736 21.809 -9.650 701 HH22 ARG 95 HH22 ARG 95 32.188 21.763 -10.632 702 H ASP 96 H ASP 96 26.474 14.996 -6.259 703 HA ASP 96 HA ASP 96 26.988 12.107 -6.618 704 HB2 ASP 96 HB2 ASP 96 27.835 13.262 -4.619 705 HB3 ASP 96 HB3 ASP 96 26.187 13.764 -4.197 706 H ARG 97 H ARG 97 24.301 14.404 -6.104 707 HA ARG 97 HA ARG 97 22.294 12.259 -6.118 708 HB2 ARG 97 HB2 ARG 97 22.295 15.268 -5.916 709 HB3 ARG 97 HB3 ARG 97 20.831 14.465 -6.485 710 HG2 ARG 97 HG2 ARG 97 20.739 14.848 -4.078 711 HG3 ARG 97 HG3 ARG 97 20.678 13.124 -4.467 712 HD2 ARG 97 HD2 ARG 97 22.999 12.831 -3.804 713 HD3 ARG 97 HD3 ARG 97 23.203 14.579 -3.599 714 HE ARG 97 HE ARG 97 21.173 14.165 -1.907 715 HH11 ARG 97 HH11 ARG 97 24.150 12.260 -2.288 716 HH12 ARG 97 HH12 ARG 97 24.157 11.761 -0.616 717 HH21 ARG 97 HH21 ARG 97 21.232 13.478 0.249 718 HH22 ARG 97 HH22 ARG 97 22.517 12.429 0.803 719 HA PRO 98 HA PRO 98 21.640 12.055 -10.479 720 HB2 PRO 98 HB2 PRO 98 18.713 12.475 -9.974 721 HB3 PRO 98 HB3 PRO 98 19.519 11.150 -10.871 722 HG2 PRO 98 HG2 PRO 98 18.540 10.716 -8.380 723 HG3 PRO 98 HG3 PRO 98 20.151 10.063 -8.844 724 HD2 PRO 98 HD2 PRO 98 19.532 12.601 -7.301 725 HD3 PRO 98 HD3 PRO 98 20.719 11.312 -6.918 726 H VAL 99 H VAL 99 21.186 13.378 -12.338 727 HA VAL 99 HA VAL 99 20.251 16.140 -11.783 728 HB VAL 99 HB VAL 99 22.094 17.028 -13.177 729 HG11 VAL 99 HG11 VAL 99 23.052 15.462 -10.755 730 HG12 VAL 99 HG12 VAL 99 23.832 16.887 -11.465 731 HG13 VAL 99 HG13 VAL 99 22.229 17.043 -10.706 732 HG21 VAL 99 HG21 VAL 99 22.678 14.971 -14.423 733 HG22 VAL 99 HG22 VAL 99 24.093 15.657 -13.595 734 HG23 VAL 99 HG23 VAL 99 23.276 14.229 -12.921 735 H LEU 100 H LEU 100 19.525 17.295 -13.618 736 HA LEU 100 HA LEU 100 19.042 15.727 -16.093 737 HB2 LEU 100 HB2 LEU 100 16.968 17.202 -14.423 738 HB3 LEU 100 HB3 LEU 100 16.682 16.616 -16.069 739 HG LEU 100 HG LEU 100 17.418 14.834 -13.704 740 HD11 LEU 100 HD11 LEU 100 15.053 14.139 -13.800 741 HD12 LEU 100 HD12 LEU 100 15.193 15.877 -13.445 742 HD13 LEU 100 HD13 LEU 100 14.747 15.335 -15.081 743 HD21 LEU 100 HD21 LEU 100 18.077 13.906 -15.915 744 HD22 LEU 100 HD22 LEU 100 16.695 13.023 -15.246 745 HD23 LEU 100 HD23 LEU 100 16.438 14.229 -16.533 746 H GLN 101 H GLN 101 18.626 17.015 -17.941 747 HA GLN 101 HA GLN 101 19.684 19.746 -17.778 748 HB2 GLN 101 HB2 GLN 101 19.825 19.687 -20.130 749 HB3 GLN 101 HB3 GLN 101 20.398 18.119 -19.562 750 HG2 GLN 101 HG2 GLN 101 17.593 18.699 -20.601 751 HG3 GLN 101 HG3 GLN 101 18.892 18.028 -21.580 752 HE21 GLN 101 HE21 GLN 101 16.591 15.316 -20.241 753 HE22 GLN 101 HE22 GLN 101 16.298 16.854 -21.037 754 H LYS 102 H LYS 102 18.448 21.499 -19.069 755 HA LYS 102 HA LYS 102 15.889 21.718 -17.777 756 HB2 LYS 102 HB2 LYS 102 17.440 23.597 -18.101 757 HB3 LYS 102 HB3 LYS 102 17.161 23.538 -19.851 758 HG2 LYS 102 HG2 LYS 102 14.756 24.004 -19.486 759 HG3 LYS 102 HG3 LYS 102 15.019 23.993 -17.726 760 HD2 LYS 102 HD2 LYS 102 16.615 25.892 -17.979 761 HD3 LYS 102 HD3 LYS 102 16.289 25.916 -19.725 762 HE2 LYS 102 HE2 LYS 102 13.891 26.350 -19.260 763 HE3 LYS 102 HE3 LYS 102 14.226 26.319 -17.521 764 HZ1 LYS 102 HZ1 LYS 102 15.685 28.201 -17.832 765 HZ2 LYS 102 HZ2 LYS 102 15.354 28.237 -19.448 766 HZ3 LYS 102 HZ3 LYS 102 14.172 28.554 -18.352 767 HA PRO 103 HA PRO 103 13.878 21.273 -22.043 768 HB2 PRO 103 HB2 PRO 103 15.208 20.392 -24.228 769 HB3 PRO 103 HB3 PRO 103 15.312 22.107 -23.699 770 HG2 PRO 103 HG2 PRO 103 17.265 19.868 -23.102 771 HG3 PRO 103 HG3 PRO 103 17.621 21.503 -23.758 772 HD2 PRO 103 HD2 PRO 103 17.836 20.918 -21.102 773 HD3 PRO 103 HD3 PRO 103 17.259 22.520 -21.670 774 H PHE 104 H PHE 104 12.602 19.481 -22.411 775 HA PHE 104 HA PHE 104 13.774 16.828 -21.679 776 HB2 PHE 104 HB2 PHE 104 11.044 18.057 -21.297 777 HB3 PHE 104 HB3 PHE 104 11.239 16.316 -21.377 778 HD1 PHE 104 HD1 PHE 104 14.028 18.087 -19.770 779 HD2 PHE 104 HD2 PHE 104 10.175 16.260 -19.157 780 HE1 PHE 104 HE1 PHE 104 14.475 17.951 -17.350 781 HE2 PHE 104 HE2 PHE 104 10.650 16.100 -16.731 782 HZ PHE 104 HZ PHE 104 12.790 16.960 -15.821 783 H THR 105 H THR 105 13.167 14.998 -22.840 784 HA THR 105 HA THR 105 11.567 15.218 -25.270 785 HB THR 105 HB THR 105 13.773 16.006 -26.049 786 HG1 THR 105 HG1 THR 105 13.958 14.461 -27.689 787 HG21 THR 105 HG21 THR 105 15.716 14.519 -26.051 788 HG22 THR 105 HG22 THR 105 15.201 14.824 -24.383 789 HG23 THR 105 HG23 THR 105 14.804 13.276 -25.172 790 H MET 106 H MET 106 11.411 12.956 -26.304 791 HA MET 106 HA MET 106 10.468 11.228 -24.281 792 HB2 MET 106 HB2 MET 106 11.190 10.674 -27.189 793 HB3 MET 106 HB3 MET 106 10.271 9.570 -26.155 794 HG2 MET 106 HG2 MET 106 9.454 12.422 -26.818 795 HG3 MET 106 HG3 MET 106 8.825 10.980 -27.609 796 HE1 MET 106 HE1 MET 106 6.376 11.856 -27.134 797 HE2 MET 106 HE2 MET 106 5.799 12.337 -25.523 798 HE3 MET 106 HE3 MET 106 7.073 13.281 -26.326 799 H ASP 107 H ASP 107 13.699 11.430 -25.734 800 HA ASP 107 HA ASP 107 14.475 8.802 -24.695 801 HB2 ASP 107 HB2 ASP 107 15.367 9.680 -26.816 802 HB3 ASP 107 HB3 ASP 107 16.092 11.045 -25.954 803 H GLY 108 H GLY 108 14.819 12.234 -23.770 804 HA2 GLY 108 HA2 GLY 108 16.793 11.677 -21.702 805 HA3 GLY 108 HA3 GLY 108 15.975 13.216 -22.024 806 H VAL 109 H VAL 109 13.272 11.822 -21.903 807 HA VAL 109 HA VAL 109 12.897 12.120 -19.024 808 HB VAL 109 HB VAL 109 11.049 11.563 -21.368 809 HG11 VAL 109 HG11 VAL 109 10.313 12.028 -18.448 810 HG12 VAL 109 HG12 VAL 109 9.183 11.923 -19.825 811 HG13 VAL 109 HG13 VAL 109 10.112 10.499 -19.340 812 HG21 VAL 109 HG21 VAL 109 12.029 13.853 -21.178 813 HG22 VAL 109 HG22 VAL 109 10.279 13.855 -20.879 814 HG23 VAL 109 HG23 VAL 109 11.418 13.960 -19.513 815 H ALA 110 H ALA 110 13.119 9.462 -21.391 816 HA ALA 110 HA ALA 110 12.080 7.433 -19.625 817 HB1 ALA 110 HB1 ALA 110 13.988 7.254 -21.996 818 HB2 ALA 110 HB2 ALA 110 13.123 5.892 -21.248 819 HB3 ALA 110 HB3 ALA 110 12.213 7.167 -22.076 820 H LYS 111 H LYS 111 15.247 8.960 -20.115 821 HA LYS 111 HA LYS 111 16.600 7.070 -18.331 822 HB2 LYS 111 HB2 LYS 111 17.492 9.622 -19.721 823 HB3 LYS 111 HB3 LYS 111 18.546 8.598 -18.726 824 HG2 LYS 111 HG2 LYS 111 18.091 6.664 -20.190 825 HG3 LYS 111 HG3 LYS 111 17.058 7.671 -21.221 826 HD2 LYS 111 HD2 LYS 111 20.027 8.119 -20.700 827 HD3 LYS 111 HD3 LYS 111 19.330 7.407 -22.164 828 HE2 LYS 111 HE2 LYS 111 18.034 9.516 -22.535 829 HE3 LYS 111 HE3 LYS 111 18.855 10.233 -21.138 830 HZ1 LYS 111 HZ1 LYS 111 20.159 9.237 -23.578 831 HZ2 LYS 111 HZ2 LYS 111 19.926 10.813 -23.196 832 HZ3 LYS 111 HZ3 LYS 111 20.943 9.895 -22.282 833 H ALA 112 H ALA 112 14.840 10.083 -18.040 834 HA ALA 112 HA ALA 112 16.123 10.934 -15.585 835 HB1 ALA 112 HB1 ALA 112 13.420 11.640 -16.803 836 HB2 ALA 112 HB2 ALA 112 14.224 12.511 -15.481 837 HB3 ALA 112 HB3 ALA 112 14.952 12.496 -17.101 838 H LEU 113 H LEU 113 13.161 9.062 -16.417 839 HA LEU 113 HA LEU 113 12.459 8.766 -13.600 840 HB2 LEU 113 HB2 LEU 113 11.453 7.377 -16.115 841 HB3 LEU 113 HB3 LEU 113 10.748 7.194 -14.497 842 HG LEU 113 HG LEU 113 10.916 9.799 -16.075 843 HD11 LEU 113 HD11 LEU 113 8.555 8.019 -15.343 844 HD12 LEU 113 HD12 LEU 113 8.473 9.562 -16.228 845 HD13 LEU 113 HD13 LEU 113 9.292 8.156 -16.955 846 HD21 LEU 113 HD21 LEU 113 11.019 10.265 -13.667 847 HD22 LEU 113 HD22 LEU 113 9.406 10.669 -14.280 848 HD23 LEU 113 HD23 LEU 113 9.654 9.160 -13.374 849 H ALA 114 H ALA 114 14.393 6.970 -15.982 850 HA ALA 114 HA ALA 114 14.546 4.589 -14.356 851 HB1 ALA 114 HB1 ALA 114 14.958 4.571 -16.789 852 HB2 ALA 114 HB2 ALA 114 16.375 5.625 -16.558 853 HB3 ALA 114 HB3 ALA 114 16.370 3.974 -15.896 854 H ALA 115 H ALA 115 16.096 7.726 -14.245 855 HA ALA 115 HA ALA 115 18.302 6.758 -12.563 856 HB1 ALA 115 HB1 ALA 115 17.453 9.561 -13.378 857 HB2 ALA 115 HB2 ALA 115 18.953 9.126 -12.532 858 HB3 ALA 115 HB3 ALA 115 18.678 8.559 -14.196 859 H LEU 116 H LEU 116 15.033 7.941 -12.159 860 HA LEU 116 HA LEU 116 15.523 8.696 -9.355 861 HB2 LEU 116 HB2 LEU 116 14.051 9.888 -11.129 862 HB3 LEU 116 HB3 LEU 116 12.851 8.642 -10.770 863 HG LEU 116 HG LEU 116 14.105 10.567 -8.759 864 HD11 LEU 116 HD11 LEU 116 11.886 11.642 -8.785 865 HD12 LEU 116 HD12 LEU 116 12.607 11.649 -10.413 866 HD13 LEU 116 HD13 LEU 116 11.328 10.480 -10.008 867 HD21 LEU 116 HD21 LEU 116 13.412 8.554 -7.585 868 HD22 LEU 116 HD22 LEU 116 12.218 9.814 -7.288 869 HD23 LEU 116 HD23 LEU 116 11.857 8.533 -8.472 870 H LEU 117 H LEU 117 13.526 6.341 -11.200 871 HA LEU 117 HA LEU 117 12.609 4.931 -8.876 872 HB2 LEU 117 HB2 LEU 117 12.493 4.473 -11.857 873 HB3 LEU 117 HB3 LEU 117 11.985 3.214 -10.730 874 HG LEU 117 HG LEU 117 10.330 4.656 -9.710 875 HD11 LEU 117 HD11 LEU 117 11.169 6.747 -11.764 876 HD12 LEU 117 HD12 LEU 117 9.730 6.842 -10.727 877 HD13 LEU 117 HD13 LEU 117 11.339 6.883 -9.993 878 HD21 LEU 117 HD21 LEU 117 8.790 4.766 -11.607 879 HD22 LEU 117 HD22 LEU 117 10.156 4.670 -12.747 880 HD23 LEU 117 HD23 LEU 117 9.772 3.290 -11.697 881 H VAL 118 H VAL 118 15.727 5.037 -9.946 882 HA VAL 118 HA VAL 118 16.232 2.316 -8.848 883 HB VAL 118 HB VAL 118 17.637 3.489 -11.277 884 HG11 VAL 118 HG11 VAL 118 17.872 0.799 -9.850 885 HG12 VAL 118 HG12 VAL 118 18.700 1.247 -11.360 886 HG13 VAL 118 HG13 VAL 118 19.090 2.091 -9.848 887 HG21 VAL 118 HG21 VAL 118 15.373 2.718 -11.863 888 HG22 VAL 118 HG22 VAL 118 16.586 1.591 -12.492 889 HG23 VAL 118 HG23 VAL 118 15.667 1.170 -11.029 Start of MODEL 2 1 H1 MET 1 H1 NME 1 5.846 5.505 1.885 2 H2 MET 1 H2 NME 1 4.688 6.617 1.523 3 H3 MET 1 H3 NME 1 5.933 6.366 0.479 4 HA MET 1 HA NME 1 3.834 4.427 1.152 5 HB2 MET 1 HB2 NME 1 4.392 5.976 -1.410 6 HB3 MET 1 HB3 NME 1 3.203 4.669 -1.246 7 HG2 MET 1 HG2 NME 1 1.984 5.957 0.455 8 HG3 MET 1 HG3 NME 1 3.204 7.232 0.385 9 HE1 MET 1 HE1 NME 1 0.291 5.402 -1.507 10 HE2 MET 1 HE2 NME 1 0.241 6.273 -3.054 11 HE3 MET 1 HE3 NME 1 1.622 5.224 -2.679 12 H SER 2 H SER 2 3.860 2.559 -0.450 13 HA SER 2 HA SER 2 6.537 1.406 -0.405 14 HB2 SER 2 HB2 SER 2 3.904 0.308 -1.455 15 HB3 SER 2 HB3 SER 2 5.396 -0.617 -1.184 16 HG SER 2 HG SER 2 3.940 -0.759 0.579 17 H ALA 3 H ALA 3 4.922 3.404 -2.588 18 HA ALA 3 HA ALA 3 6.896 2.835 -4.689 19 HB1 ALA 3 HB1 ALA 3 5.001 1.337 -5.260 20 HB2 ALA 3 HB2 ALA 3 3.887 2.721 -5.188 21 HB3 ALA 3 HB3 ALA 3 5.159 2.662 -6.434 22 H LEU 4 H LEU 4 6.955 4.540 -6.288 23 HA LEU 4 HA LEU 4 5.918 7.102 -5.211 24 HB2 LEU 4 HB2 LEU 4 7.826 8.167 -6.376 25 HB3 LEU 4 HB3 LEU 4 8.288 7.122 -5.034 26 HG LEU 4 HG LEU 4 8.297 5.982 -7.834 27 HD11 LEU 4 HD11 LEU 4 10.468 7.708 -6.555 28 HD12 LEU 4 HD12 LEU 4 10.645 6.777 -8.054 29 HD13 LEU 4 HD13 LEU 4 9.504 8.140 -7.986 30 HD21 LEU 4 HD21 LEU 4 10.020 5.562 -5.359 31 HD22 LEU 4 HD22 LEU 4 8.761 4.451 -5.939 32 HD23 LEU 4 HD23 LEU 4 10.222 4.721 -6.907 33 H THR 5 H THR 5 3.924 6.325 -6.394 34 HA THR 5 HA THR 5 4.014 6.798 -9.291 35 HB THR 5 HB THR 5 1.384 6.703 -8.730 36 HG1 THR 5 HG1 THR 5 2.524 4.985 -6.804 37 HG21 THR 5 HG21 THR 5 1.509 4.295 -9.225 38 HG22 THR 5 HG22 THR 5 2.589 5.242 -10.271 39 HG23 THR 5 HG23 THR 5 3.268 4.321 -8.908 40 H GLN 6 H GLN 6 4.101 8.733 -6.577 41 HA GLN 6 HA GLN 6 2.695 10.961 -7.962 42 HB2 GLN 6 HB2 GLN 6 3.080 10.370 -4.988 43 HB3 GLN 6 HB3 GLN 6 2.451 11.868 -5.629 44 HG2 GLN 6 HG2 GLN 6 0.489 10.639 -5.161 45 HG3 GLN 6 HG3 GLN 6 0.724 10.358 -6.898 46 HE21 GLN 6 HE21 GLN 6 0.034 6.989 -5.924 47 HE22 GLN 6 HE22 GLN 6 -0.707 8.474 -6.488 48 H ILE 7 H ILE 7 4.185 12.229 -8.887 49 HA ILE 7 HA ILE 7 6.663 12.835 -7.335 50 HB ILE 7 HB ILE 7 6.328 13.028 -10.338 51 HG12 ILE 7 HG12 ILE 7 6.002 10.692 -9.840 52 HG13 ILE 7 HG13 ILE 7 7.614 10.929 -10.513 53 HG21 ILE 7 HG21 ILE 7 8.813 13.002 -10.274 54 HG22 ILE 7 HG22 ILE 7 8.139 14.370 -9.369 55 HG23 ILE 7 HG23 ILE 7 8.764 12.961 -8.498 56 HD11 ILE 7 HD11 ILE 7 6.926 10.529 -7.566 57 HD12 ILE 7 HD12 ILE 7 7.690 9.349 -8.643 58 HD13 ILE 7 HD13 ILE 7 8.565 10.831 -8.199 59 H LEU 8 H LEU 8 6.978 14.918 -6.756 60 HA LEU 8 HA LEU 8 5.075 16.950 -7.712 61 HB2 LEU 8 HB2 LEU 8 6.008 16.436 -5.252 62 HB3 LEU 8 HB3 LEU 8 7.272 17.552 -5.765 63 HG LEU 8 HG LEU 8 4.276 18.058 -5.554 64 HD11 LEU 8 HD11 LEU 8 5.011 19.719 -3.882 65 HD12 LEU 8 HD12 LEU 8 5.570 18.085 -3.450 66 HD13 LEU 8 HD13 LEU 8 6.704 19.251 -4.159 67 HD21 LEU 8 HD21 LEU 8 4.828 20.443 -6.083 68 HD22 LEU 8 HD22 LEU 8 6.437 19.918 -6.626 69 HD23 LEU 8 HD23 LEU 8 4.953 19.360 -7.467 70 H ILE 9 H ILE 9 5.718 18.841 -8.801 71 HA ILE 9 HA ILE 9 8.387 18.704 -10.135 72 HB ILE 9 HB ILE 9 5.714 19.819 -11.041 73 HG12 ILE 9 HG12 ILE 9 7.305 17.570 -12.326 74 HG13 ILE 9 HG13 ILE 9 6.121 17.252 -11.045 75 HG21 ILE 9 HG21 ILE 9 8.396 19.739 -12.484 76 HG22 ILE 9 HG22 ILE 9 6.855 20.258 -13.201 77 HG23 ILE 9 HG23 ILE 9 7.575 21.197 -11.883 78 HD11 ILE 9 HD11 ILE 9 4.329 18.257 -12.322 79 HD12 ILE 9 HD12 ILE 9 5.455 18.738 -13.613 80 HD13 ILE 9 HD13 ILE 9 5.137 17.016 -13.304 81 H VAL 10 H VAL 10 9.749 20.401 -9.807 82 HA VAL 10 HA VAL 10 8.592 22.949 -8.791 83 HB VAL 10 HB VAL 10 11.160 21.659 -7.795 84 HG11 VAL 10 HG11 VAL 10 11.120 24.123 -7.670 85 HG12 VAL 10 HG12 VAL 10 9.553 24.062 -6.828 86 HG13 VAL 10 HG13 VAL 10 11.008 23.412 -6.046 87 HG21 VAL 10 HG21 VAL 10 9.921 21.300 -5.660 88 HG22 VAL 10 HG22 VAL 10 8.414 21.782 -6.474 89 HG23 VAL 10 HG23 VAL 10 9.288 20.317 -6.991 90 H GLU 11 H GLU 11 9.072 24.523 -10.178 91 HA GLU 11 HA GLU 11 11.704 24.574 -11.555 92 HB2 GLU 11 HB2 GLU 11 8.953 24.612 -12.847 93 HB3 GLU 11 HB3 GLU 11 10.386 25.254 -13.657 94 HG2 GLU 11 HG2 GLU 11 10.124 22.397 -12.642 95 HG3 GLU 11 HG3 GLU 11 9.868 22.910 -14.310 96 H ASP 12 H ASP 12 12.130 26.696 -12.567 97 HA ASP 12 HA ASP 12 11.190 28.844 -10.822 98 HB2 ASP 12 HB2 ASP 12 13.568 28.589 -11.447 99 HB3 ASP 12 HB3 ASP 12 13.142 28.832 -13.150 100 H GLU 13 H GLU 13 10.111 27.462 -13.747 101 HA GLU 13 HA GLU 13 8.457 29.858 -14.285 102 HB2 GLU 13 HB2 GLU 13 10.058 28.335 -16.384 103 HB3 GLU 13 HB3 GLU 13 8.811 29.543 -16.730 104 HG2 GLU 13 HG2 GLU 13 10.123 31.239 -15.462 105 HG3 GLU 13 HG3 GLU 13 11.410 30.041 -15.218 106 HA PRO 14 HA PRO 14 5.377 26.730 -14.469 107 HB2 PRO 14 HB2 PRO 14 3.336 28.042 -15.713 108 HB3 PRO 14 HB3 PRO 14 3.921 28.518 -14.082 109 HG2 PRO 14 HG2 PRO 14 4.703 29.717 -16.762 110 HG3 PRO 14 HG3 PRO 14 4.135 30.576 -15.288 111 HD2 PRO 14 HD2 PRO 14 6.789 30.310 -15.850 112 HD3 PRO 14 HD3 PRO 14 6.186 30.199 -14.168 113 H LEU 15 H LEU 15 6.858 28.074 -17.324 114 HA LEU 15 HA LEU 15 5.362 26.493 -19.240 115 HB2 LEU 15 HB2 LEU 15 8.074 27.863 -19.469 116 HB3 LEU 15 HB3 LEU 15 7.107 27.235 -20.813 117 HG LEU 15 HG LEU 15 6.304 29.488 -18.924 118 HD11 LEU 15 HD11 LEU 15 7.099 29.484 -21.862 119 HD12 LEU 15 HD12 LEU 15 6.570 30.903 -20.928 120 HD13 LEU 15 HD13 LEU 15 8.093 30.092 -20.516 121 HD21 LEU 15 HD21 LEU 15 4.322 28.249 -19.698 122 HD22 LEU 15 HD22 LEU 15 4.415 29.819 -20.515 123 HD23 LEU 15 HD23 LEU 15 4.901 28.339 -21.376 124 H ILE 16 H ILE 16 8.278 26.006 -17.265 125 HA ILE 16 HA ILE 16 8.944 23.533 -18.710 126 HB ILE 16 HB ILE 16 10.083 24.663 -16.133 127 HG12 ILE 16 HG12 ILE 16 10.407 26.281 -17.925 128 HG13 ILE 16 HG13 ILE 16 11.938 25.506 -17.507 129 HG21 ILE 16 HG21 ILE 16 10.561 22.276 -16.408 130 HG22 ILE 16 HG22 ILE 16 11.087 22.538 -18.080 131 HG23 ILE 16 HG23 ILE 16 12.036 23.208 -16.732 132 HD11 ILE 16 HD11 ILE 16 11.743 24.037 -19.496 133 HD12 ILE 16 HD12 ILE 16 10.192 24.819 -19.913 134 HD13 ILE 16 HD13 ILE 16 11.699 25.755 -19.933 135 H ALA 17 H ALA 17 7.201 24.585 -15.795 136 HA ALA 17 HA ALA 17 6.992 21.960 -14.642 137 HB1 ALA 17 HB1 ALA 17 5.201 24.408 -14.358 138 HB2 ALA 17 HB2 ALA 17 5.213 22.989 -13.288 139 HB3 ALA 17 HB3 ALA 17 6.637 24.045 -13.369 140 H MET 18 H MET 18 5.189 23.736 -17.148 141 HA MET 18 HA MET 18 3.038 21.780 -17.254 142 HB2 MET 18 HB2 MET 18 2.768 24.178 -17.855 143 HB3 MET 18 HB3 MET 18 3.877 23.956 -19.218 144 HG2 MET 18 HG2 MET 18 1.539 23.848 -19.961 145 HG3 MET 18 HG3 MET 18 2.368 22.317 -20.230 146 HE1 MET 18 HE1 MET 18 -0.218 24.299 -18.069 147 HE2 MET 18 HE2 MET 18 -0.752 23.095 -16.879 148 HE3 MET 18 HE3 MET 18 0.903 23.745 -16.810 149 H MET 19 H MET 19 6.210 22.249 -18.784 150 HA MET 19 HA MET 19 5.793 20.319 -20.882 151 HB2 MET 19 HB2 MET 19 7.543 22.142 -20.802 152 HB3 MET 19 HB3 MET 19 8.411 21.194 -19.585 153 HG2 MET 19 HG2 MET 19 8.593 19.315 -21.201 154 HG3 MET 19 HG3 MET 19 7.673 20.252 -22.382 155 HE1 MET 19 HE1 MET 19 11.094 20.353 -24.142 156 HE2 MET 19 HE2 MET 19 10.319 18.985 -23.320 157 HE3 MET 19 HE3 MET 19 9.341 20.097 -24.304 158 H LEU 20 H LEU 20 6.734 20.160 -17.466 159 HA LEU 20 HA LEU 20 7.554 17.375 -17.568 160 HB2 LEU 20 HB2 LEU 20 7.191 19.539 -15.553 161 HB3 LEU 20 HB3 LEU 20 6.882 17.903 -14.957 162 HG LEU 20 HG LEU 20 9.242 18.714 -14.634 163 HD11 LEU 20 HD11 LEU 20 8.799 16.202 -16.280 164 HD12 LEU 20 HD12 LEU 20 10.210 16.550 -15.236 165 HD13 LEU 20 HD13 LEU 20 8.600 16.364 -14.526 166 HD21 LEU 20 HD21 LEU 20 9.504 19.858 -16.824 167 HD22 LEU 20 HD22 LEU 20 10.783 18.682 -16.497 168 HD23 LEU 20 HD23 LEU 20 9.480 18.272 -17.636 169 H GLU 21 H GLU 21 4.483 19.116 -17.093 170 HA GLU 21 HA GLU 21 3.037 16.788 -16.154 171 HB2 GLU 21 HB2 GLU 21 2.226 19.431 -17.414 172 HB3 GLU 21 HB3 GLU 21 1.043 18.212 -16.912 173 HG2 GLU 21 HG2 GLU 21 3.130 19.335 -15.009 174 HG3 GLU 21 HG3 GLU 21 1.527 20.063 -15.236 175 H ASP 22 H ASP 22 4.122 17.925 -19.302 176 HA ASP 22 HA ASP 22 2.181 16.361 -20.800 177 HB2 ASP 22 HB2 ASP 22 3.217 18.427 -21.666 178 HB3 ASP 22 HB3 ASP 22 4.804 17.642 -21.641 179 H PHE 23 H PHE 23 5.624 15.881 -19.780 180 HA PHE 23 HA PHE 23 5.773 13.379 -21.255 181 HB2 PHE 23 HB2 PHE 23 7.571 14.832 -19.328 182 HB3 PHE 23 HB3 PHE 23 7.873 13.144 -19.748 183 HD1 PHE 23 HD1 PHE 23 8.438 12.437 -21.994 184 HD2 PHE 23 HD2 PHE 23 7.921 16.591 -21.028 185 HE1 PHE 23 HE1 PHE 23 9.550 13.073 -24.121 186 HE2 PHE 23 HE2 PHE 23 9.008 17.226 -23.160 187 HZ PHE 23 HZ PHE 23 9.833 15.468 -24.708 188 H LEU 24 H LEU 24 4.705 14.262 -17.978 189 HA LEU 24 HA LEU 24 4.897 11.505 -17.049 190 HB2 LEU 24 HB2 LEU 24 3.446 13.961 -15.993 191 HB3 LEU 24 HB3 LEU 24 3.451 12.391 -15.174 192 HG LEU 24 HG LEU 24 5.950 14.012 -15.830 193 HD11 LEU 24 HD11 LEU 24 4.514 13.518 -13.190 194 HD12 LEU 24 HD12 LEU 24 6.015 14.447 -13.413 195 HD13 LEU 24 HD13 LEU 24 4.481 15.039 -14.099 196 HD21 LEU 24 HD21 LEU 24 7.077 12.434 -14.294 197 HD22 LEU 24 HD22 LEU 24 5.575 11.489 -14.166 198 HD23 LEU 24 HD23 LEU 24 6.439 11.603 -15.724 199 H GLU 25 H GLU 25 2.631 13.343 -18.987 200 HA GLU 25 HA GLU 25 0.441 11.464 -18.527 201 HB2 GLU 25 HB2 GLU 25 0.065 13.851 -19.067 202 HB3 GLU 25 HB3 GLU 25 0.812 13.608 -20.655 203 HG2 GLU 25 HG2 GLU 25 -0.937 11.983 -21.253 204 HG3 GLU 25 HG3 GLU 25 -1.632 12.115 -19.627 205 H VAL 26 H VAL 26 3.175 11.798 -20.750 206 HA VAL 26 HA VAL 26 2.169 9.803 -22.622 207 HB VAL 26 HB VAL 26 4.847 11.190 -22.253 208 HG11 VAL 26 HG11 VAL 26 5.293 9.032 -23.316 209 HG12 VAL 26 HG12 VAL 26 3.951 9.284 -24.458 210 HG13 VAL 26 HG13 VAL 26 5.392 10.325 -24.520 211 HG21 VAL 26 HG21 VAL 26 4.162 12.378 -24.301 212 HG22 VAL 26 HG22 VAL 26 2.656 11.432 -24.367 213 HG23 VAL 26 HG23 VAL 26 2.926 12.588 -23.044 214 H LEU 27 H LEU 27 3.936 9.795 -19.604 215 HA LEU 27 HA LEU 27 4.760 6.981 -20.050 216 HB2 LEU 27 HB2 LEU 27 5.576 9.000 -17.933 217 HB3 LEU 27 HB3 LEU 27 6.149 7.328 -18.005 218 HG LEU 27 HG LEU 27 6.590 9.427 -20.176 219 HD11 LEU 27 HD11 LEU 27 7.887 9.832 -18.111 220 HD12 LEU 27 HD12 LEU 27 8.476 8.154 -18.153 221 HD13 LEU 27 HD13 LEU 27 8.939 9.297 -19.436 222 HD21 LEU 27 HD21 LEU 27 6.486 7.175 -21.151 223 HD22 LEU 27 HD22 LEU 27 8.161 7.743 -21.108 224 HD23 LEU 27 HD23 LEU 27 7.598 6.566 -19.897 225 H ASP 28 H ASP 28 1.984 8.211 -19.272 226 HA ASP 28 HA ASP 28 0.229 7.660 -17.985 227 HB2 ASP 28 HB2 ASP 28 0.677 5.555 -19.234 228 HB3 ASP 28 HB3 ASP 28 1.568 4.944 -17.832 229 H LYS 29 H LYS 29 2.485 8.844 -16.579 230 HA LYS 29 HA LYS 29 2.502 7.603 -13.921 231 HB2 LYS 29 HB2 LYS 29 4.268 9.160 -15.420 232 HB3 LYS 29 HB3 LYS 29 3.653 10.297 -14.215 233 HG2 LYS 29 HG2 LYS 29 4.920 7.576 -13.659 234 HG3 LYS 29 HG3 LYS 29 5.724 9.143 -13.487 235 HD2 LYS 29 HD2 LYS 29 3.922 9.787 -11.813 236 HD3 LYS 29 HD3 LYS 29 3.414 8.081 -11.832 237 HE2 LYS 29 HE2 LYS 29 6.193 9.118 -11.149 238 HE3 LYS 29 HE3 LYS 29 4.979 8.589 -9.983 239 HZ1 LYS 29 HZ1 LYS 29 5.064 6.397 -11.051 240 HZ2 LYS 29 HZ2 LYS 29 6.273 6.911 -12.033 241 HZ3 LYS 29 HZ3 LYS 29 6.504 6.838 -10.405 242 H THR 30 H THR 30 1.891 8.948 -11.974 243 HA THR 30 HA THR 30 -0.543 10.541 -12.611 244 HB THR 30 HB THR 30 0.247 9.056 -10.080 245 HG1 THR 30 HG1 THR 30 -0.400 7.755 -11.835 246 HG21 THR 30 HG21 THR 30 -2.276 10.595 -10.830 247 HG22 THR 30 HG22 THR 30 -2.090 9.565 -9.389 248 HG23 THR 30 HG23 THR 30 -1.112 11.039 -9.557 249 HA PRO 31 HA PRO 31 1.969 13.955 -11.053 250 HB2 PRO 31 HB2 PRO 31 0.401 15.994 -11.891 251 HB3 PRO 31 HB3 PRO 31 1.314 14.981 -13.068 252 HG2 PRO 31 HG2 PRO 31 -1.587 14.685 -12.205 253 HG3 PRO 31 HG3 PRO 31 -0.950 14.781 -13.880 254 HD2 PRO 31 HD2 PRO 31 -1.460 12.396 -12.633 255 HD3 PRO 31 HD3 PRO 31 -0.083 12.585 -13.766 256 H VAL 32 H VAL 32 1.598 15.658 -9.402 257 HA VAL 32 HA VAL 32 -0.913 15.288 -7.841 258 HB VAL 32 HB VAL 32 0.389 15.304 -5.754 259 HG11 VAL 32 HG11 VAL 32 1.385 13.017 -7.477 260 HG12 VAL 32 HG12 VAL 32 0.926 13.027 -5.756 261 HG13 VAL 32 HG13 VAL 32 -0.325 13.172 -6.998 262 HG21 VAL 32 HG21 VAL 32 2.804 14.996 -7.593 263 HG22 VAL 32 HG22 VAL 32 2.470 16.382 -6.532 264 HG23 VAL 32 HG23 VAL 32 2.825 14.782 -5.834 265 H GLY 33 H GLY 33 1.567 17.418 -9.080 266 HA2 GLY 33 HA2 GLY 33 0.069 19.706 -8.870 267 HA3 GLY 33 HA3 GLY 33 0.911 19.628 -7.314 268 H THR 34 H THR 34 1.393 21.767 -8.805 269 HA THR 34 HA THR 34 4.241 21.425 -9.560 270 HB THR 34 HB THR 34 3.906 23.060 -11.410 271 HG1 THR 34 HG1 THR 34 1.927 23.921 -10.696 272 HG21 THR 34 HG21 THR 34 2.202 20.545 -11.701 273 HG22 THR 34 HG22 THR 34 2.890 21.503 -13.026 274 HG23 THR 34 HG23 THR 34 3.970 20.633 -11.915 275 H VAL 35 H VAL 35 5.524 23.142 -8.871 276 HA VAL 35 HA VAL 35 4.163 25.498 -7.701 277 HB VAL 35 HB VAL 35 5.645 25.338 -5.697 278 HG11 VAL 35 HG11 VAL 35 3.268 24.621 -5.614 279 HG12 VAL 35 HG12 VAL 35 3.769 22.966 -6.042 280 HG13 VAL 35 HG13 VAL 35 4.296 23.679 -4.511 281 HG21 VAL 35 HG21 VAL 35 6.111 22.476 -6.636 282 HG22 VAL 35 HG22 VAL 35 7.335 23.774 -6.630 283 HG23 VAL 35 HG23 VAL 35 6.644 23.185 -5.105 284 H ASP 36 H ASP 36 5.505 27.339 -7.451 285 HA ASP 36 HA ASP 36 7.693 27.340 -9.437 286 HB2 ASP 36 HB2 ASP 36 7.271 29.707 -9.653 287 HB3 ASP 36 HB3 ASP 36 5.761 28.810 -9.848 288 H THR 37 H THR 37 7.454 26.982 -6.172 289 HA THR 37 HA THR 37 10.157 28.115 -5.770 290 HB THR 37 HB THR 37 9.514 28.997 -3.567 291 HG1 THR 37 HG1 THR 37 7.265 29.170 -3.126 292 HG21 THR 37 HG21 THR 37 7.719 30.134 -5.752 293 HG22 THR 37 HG22 THR 37 8.282 30.968 -4.285 294 HG23 THR 37 HG23 THR 37 9.444 30.515 -5.544 295 H VAL 38 H VAL 38 11.283 27.116 -3.950 296 HA VAL 38 HA VAL 38 10.623 24.303 -3.730 297 HB VAL 38 HB VAL 38 12.931 25.126 -3.944 298 HG11 VAL 38 HG11 VAL 38 12.537 26.253 -1.138 299 HG12 VAL 38 HG12 VAL 38 14.064 26.197 -2.042 300 HG13 VAL 38 HG13 VAL 38 12.735 27.214 -2.622 301 HG21 VAL 38 HG21 VAL 38 12.431 22.950 -2.822 302 HG22 VAL 38 HG22 VAL 38 13.927 23.710 -2.233 303 HG23 VAL 38 HG23 VAL 38 12.446 23.785 -1.254 304 H ALA 39 H ALA 39 9.950 27.183 -1.858 305 HA ALA 39 HA ALA 39 9.490 25.825 0.652 306 HB1 ALA 39 HB1 ALA 39 10.017 28.225 0.509 307 HB2 ALA 39 HB2 ALA 39 8.513 28.507 -0.402 308 HB3 ALA 39 HB3 ALA 39 8.443 27.969 1.293 309 H GLY 40 H GLY 40 7.602 26.384 -2.284 310 HA2 GLY 40 HA2 GLY 40 5.040 25.726 -1.076 311 HA3 GLY 40 HA3 GLY 40 5.423 25.840 -2.807 312 H ALA 41 H ALA 41 7.752 23.934 -2.507 313 HA ALA 41 HA ALA 41 6.264 21.501 -2.954 314 HB1 ALA 41 HB1 ALA 41 9.251 21.973 -2.562 315 HB2 ALA 41 HB2 ALA 41 8.507 20.514 -3.248 316 HB3 ALA 41 HB3 ALA 41 8.382 22.071 -4.109 317 H LEU 42 H LEU 42 8.114 22.894 -0.238 318 HA LEU 42 HA LEU 42 8.091 20.511 1.359 319 HB2 LEU 42 HB2 LEU 42 9.530 22.688 1.456 320 HB3 LEU 42 HB3 LEU 42 8.203 23.370 2.382 321 HG LEU 42 HG LEU 42 10.031 22.565 3.796 322 HD11 LEU 42 HD11 LEU 42 7.695 20.674 4.193 323 HD12 LEU 42 HD12 LEU 42 8.807 21.318 5.409 324 HD13 LEU 42 HD13 LEU 42 7.647 22.406 4.615 325 HD21 LEU 42 HD21 LEU 42 10.827 20.751 2.290 326 HD22 LEU 42 HD22 LEU 42 10.624 20.217 3.972 327 HD23 LEU 42 HD23 LEU 42 9.413 19.771 2.758 328 H ALA 43 H ALA 43 5.892 23.296 0.916 329 HA ALA 43 HA ALA 43 4.175 22.708 3.120 330 HB1 ALA 43 HB1 ALA 43 3.630 24.179 0.511 331 HB2 ALA 43 HB2 ALA 43 2.633 24.259 1.977 332 HB3 ALA 43 HB3 ALA 43 4.289 24.900 2.000 333 H ARG 44 H ARG 44 4.425 21.330 -0.126 334 HA ARG 44 HA ARG 44 1.803 20.012 0.087 335 HB2 ARG 44 HB2 ARG 44 4.097 19.794 -1.896 336 HB3 ARG 44 HB3 ARG 44 2.583 18.905 -2.046 337 HG2 ARG 44 HG2 ARG 44 2.715 21.950 -1.961 338 HG3 ARG 44 HG3 ARG 44 2.755 20.991 -3.445 339 HD2 ARG 44 HD2 ARG 44 0.518 21.621 -3.227 340 HD3 ARG 44 HD3 ARG 44 0.565 19.930 -2.711 341 HE ARG 44 HE ARG 44 0.570 22.238 -0.793 342 HH11 ARG 44 HH11 ARG 44 -0.714 19.091 -1.809 343 HH12 ARG 44 HH12 ARG 44 -1.739 18.938 -0.402 344 HH21 ARG 44 HH21 ARG 44 -0.817 22.016 0.995 345 HH22 ARG 44 HH22 ARG 44 -1.837 20.602 1.147 346 H VAL 45 H VAL 45 5.101 19.343 1.026 347 HA VAL 45 HA VAL 45 4.693 16.449 1.150 348 HB VAL 45 HB VAL 45 6.903 18.336 2.030 349 HG11 VAL 45 HG11 VAL 45 6.749 15.312 2.353 350 HG12 VAL 45 HG12 VAL 45 8.238 16.282 2.502 351 HG13 VAL 45 HG13 VAL 45 6.918 16.516 3.654 352 HG21 VAL 45 HG21 VAL 45 6.594 17.810 -0.412 353 HG22 VAL 45 HG22 VAL 45 8.128 17.203 0.238 354 HG23 VAL 45 HG23 VAL 45 6.771 16.085 -0.029 355 H GLU 46 H GLU 46 4.161 19.217 3.254 356 HA GLU 46 HA GLU 46 3.929 17.634 5.682 357 HB2 GLU 46 HB2 GLU 46 3.013 20.437 4.946 358 HB3 GLU 46 HB3 GLU 46 2.851 19.720 6.564 359 HG2 GLU 46 HG2 GLU 46 5.311 19.368 6.641 360 HG3 GLU 46 HG3 GLU 46 5.468 20.153 5.069 361 H ASP 47 H ASP 47 1.952 18.089 2.907 362 HA ASP 47 HA ASP 47 -0.539 17.428 4.362 363 HB2 ASP 47 HB2 ASP 47 -0.470 19.311 2.734 364 HB3 ASP 47 HB3 ASP 47 -0.043 18.161 1.460 365 H GLY 48 H GLY 48 2.022 15.873 2.707 366 HA2 GLY 48 HA2 GLY 48 2.343 13.645 2.241 367 HA3 GLY 48 HA3 GLY 48 0.739 13.301 2.910 368 H GLY 49 H GLY 49 0.797 11.721 1.051 369 HA2 GLY 49 HA2 GLY 49 -0.308 11.111 -0.881 370 HA3 GLY 49 HA3 GLY 49 -0.719 12.808 -1.191 371 H ILE 50 H ILE 50 2.631 12.338 -0.558 372 HA ILE 50 HA ILE 50 3.303 12.067 -3.440 373 HB ILE 50 HB ILE 50 4.469 14.148 -1.553 374 HG12 ILE 50 HG12 ILE 50 2.413 14.416 -3.780 375 HG13 ILE 50 HG13 ILE 50 2.167 14.741 -2.059 376 HG21 ILE 50 HG21 ILE 50 6.020 13.327 -3.308 377 HG22 ILE 50 HG22 ILE 50 4.814 13.734 -4.554 378 HG23 ILE 50 HG23 ILE 50 5.571 15.012 -3.582 379 HD11 ILE 50 HD11 ILE 50 3.931 16.325 -3.952 380 HD12 ILE 50 HD12 ILE 50 2.420 16.845 -3.194 381 HD13 ILE 50 HD13 ILE 50 3.859 16.573 -2.184 382 H ASP 51 H ASP 51 5.375 11.066 -3.806 383 HA ASP 51 HA ASP 51 6.584 9.942 -1.318 384 HB2 ASP 51 HB2 ASP 51 5.219 8.377 -2.954 385 HB3 ASP 51 HB3 ASP 51 6.653 8.524 -3.968 386 H ALA 52 H ALA 52 7.126 11.637 -4.326 387 HA ALA 52 HA ALA 52 9.920 12.057 -3.587 388 HB1 ALA 52 HB1 ALA 52 10.096 9.937 -4.796 389 HB2 ALA 52 HB2 ALA 52 9.175 10.613 -6.163 390 HB3 ALA 52 HB3 ALA 52 10.789 11.250 -5.773 391 H ALA 53 H ALA 53 10.964 13.594 -5.239 392 HA ALA 53 HA ALA 53 9.042 15.140 -6.848 393 HB1 ALA 53 HB1 ALA 53 10.547 16.353 -4.497 394 HB2 ALA 53 HB2 ALA 53 9.575 17.253 -5.677 395 HB3 ALA 53 HB3 ALA 53 8.788 16.095 -4.581 396 H ILE 54 H ILE 54 10.117 16.879 -8.084 397 HA ILE 54 HA ILE 54 13.036 16.382 -8.475 398 HB ILE 54 HB ILE 54 10.960 17.195 -10.538 399 HG12 ILE 54 HG12 ILE 54 12.572 14.625 -10.204 400 HG13 ILE 54 HG13 ILE 54 10.837 14.801 -9.881 401 HG21 ILE 54 HG21 ILE 54 13.955 16.667 -10.792 402 HG22 ILE 54 HG22 ILE 54 12.850 17.039 -12.134 403 HG23 ILE 54 HG23 ILE 54 13.173 18.259 -10.897 404 HD11 ILE 54 HD11 ILE 54 10.470 15.423 -12.265 405 HD12 ILE 54 HD12 ILE 54 12.193 15.093 -12.585 406 HD13 ILE 54 HD13 ILE 54 11.135 13.784 -12.051 407 H LEU 55 H LEU 55 14.336 18.135 -8.227 408 HA LEU 55 HA LEU 55 12.965 20.703 -7.548 409 HB2 LEU 55 HB2 LEU 55 15.355 19.255 -6.390 410 HB3 LEU 55 HB3 LEU 55 15.158 20.989 -6.189 411 HG LEU 55 HG LEU 55 14.384 19.713 -4.241 412 HD11 LEU 55 HD11 LEU 55 12.158 21.190 -5.698 413 HD12 LEU 55 HD12 LEU 55 12.261 20.903 -3.948 414 HD13 LEU 55 HD13 LEU 55 13.463 21.940 -4.751 415 HD21 LEU 55 HD21 LEU 55 13.455 17.735 -5.496 416 HD22 LEU 55 HD22 LEU 55 12.370 18.406 -4.253 417 HD23 LEU 55 HD23 LEU 55 12.063 18.765 -5.955 418 H ASP 56 H ASP 56 13.461 22.446 -8.717 419 HA ASP 56 HA ASP 56 15.783 22.412 -10.525 420 HB2 ASP 56 HB2 ASP 56 13.701 23.341 -11.353 421 HB3 ASP 56 HB3 ASP 56 13.583 24.427 -9.957 422 H VAL 57 H VAL 57 17.707 23.376 -10.116 423 HA VAL 57 HA VAL 57 17.999 24.794 -7.530 424 HB VAL 57 HB VAL 57 19.389 22.796 -7.990 425 HG11 VAL 57 HG11 VAL 57 21.277 22.968 -9.553 426 HG12 VAL 57 HG12 VAL 57 19.727 23.106 -10.412 427 HG13 VAL 57 HG13 VAL 57 20.703 24.561 -10.095 428 HG21 VAL 57 HG21 VAL 57 21.015 25.357 -7.768 429 HG22 VAL 57 HG22 VAL 57 20.112 24.605 -6.430 430 HG23 VAL 57 HG23 VAL 57 21.471 23.745 -7.190 431 H ASN 58 H ASN 58 17.606 25.438 -10.831 432 HA ASN 58 HA ASN 58 19.244 27.855 -10.884 433 HB2 ASN 58 HB2 ASN 58 18.992 26.288 -12.825 434 HB3 ASN 58 HB3 ASN 58 17.290 26.767 -12.940 435 HD21 ASN 58 HD21 ASN 58 20.254 29.506 -13.930 436 HD22 ASN 58 HD22 ASN 58 20.587 28.239 -12.766 437 H LEU 59 H LEU 59 17.036 27.611 -8.907 438 HA LEU 59 HA LEU 59 14.738 29.059 -9.652 439 HB2 LEU 59 HB2 LEU 59 15.051 27.639 -7.619 440 HB3 LEU 59 HB3 LEU 59 16.128 28.868 -6.951 441 HG LEU 59 HG LEU 59 14.238 30.507 -6.973 442 HD11 LEU 59 HD11 LEU 59 12.595 28.082 -7.824 443 HD12 LEU 59 HD12 LEU 59 11.939 29.654 -7.315 444 HD13 LEU 59 HD13 LEU 59 12.894 29.532 -8.807 445 HD21 LEU 59 HD21 LEU 59 13.639 27.872 -5.563 446 HD22 LEU 59 HD22 LEU 59 14.737 29.138 -4.970 447 HD23 LEU 59 HD23 LEU 59 12.999 29.477 -5.119 448 H ARG 60 H ARG 60 14.116 31.226 -9.345 449 HA ARG 60 HA ARG 60 16.032 33.191 -10.034 450 HB2 ARG 60 HB2 ARG 60 14.188 34.767 -9.757 451 HB3 ARG 60 HB3 ARG 60 13.656 33.316 -10.616 452 HG2 ARG 60 HG2 ARG 60 12.755 32.428 -8.421 453 HG3 ARG 60 HG3 ARG 60 13.194 33.976 -7.669 454 HD2 ARG 60 HD2 ARG 60 10.850 34.047 -8.264 455 HD3 ARG 60 HD3 ARG 60 11.743 35.149 -9.327 456 HE ARG 60 HE ARG 60 11.518 32.529 -10.509 457 HH11 ARG 60 HH11 ARG 60 9.692 35.496 -9.901 458 HH12 ARG 60 HH12 ARG 60 8.603 35.237 -11.242 459 HH21 ARG 60 HH21 ARG 60 10.059 32.199 -12.226 460 HH22 ARG 60 HH22 ARG 60 8.827 33.389 -12.571 461 H GLY 61 H GLY 61 16.737 35.052 -8.929 462 HA2 GLY 61 HA2 GLY 61 17.054 36.362 -6.956 463 HA3 GLY 61 HA3 GLY 61 16.656 34.955 -5.960 464 H GLY 62 H GLY 62 18.716 35.821 -4.907 465 HA2 GLY 62 HA2 GLY 62 21.241 35.355 -6.241 466 HA3 GLY 62 HA3 GLY 62 20.980 35.772 -4.538 467 H GLU 63 H GLU 63 19.014 33.117 -5.149 468 HA GLU 63 HA GLU 63 20.767 31.369 -3.640 469 HB2 GLU 63 HB2 GLU 63 18.105 30.847 -5.016 470 HB3 GLU 63 HB3 GLU 63 18.912 29.749 -3.883 471 HG2 GLU 63 HG2 GLU 63 17.909 32.563 -3.259 472 HG3 GLU 63 HG3 GLU 63 17.157 31.047 -2.748 473 H LYS 64 H LYS 64 21.777 29.500 -4.262 474 HA LYS 64 HA LYS 64 21.799 28.767 -7.129 475 HB2 LYS 64 HB2 LYS 64 24.280 29.375 -5.472 476 HB3 LYS 64 HB3 LYS 64 24.284 28.631 -7.085 477 HG2 LYS 64 HG2 LYS 64 23.133 30.648 -8.001 478 HG3 LYS 64 HG3 LYS 64 23.259 31.416 -6.404 479 HD2 LYS 64 HD2 LYS 64 25.606 30.467 -8.099 480 HD3 LYS 64 HD3 LYS 64 25.062 32.146 -7.928 481 HE2 LYS 64 HE2 LYS 64 25.473 32.025 -5.483 482 HE3 LYS 64 HE3 LYS 64 26.060 30.361 -5.676 483 HZ1 LYS 64 HZ1 LYS 64 27.797 31.206 -7.094 484 HZ2 LYS 64 HZ2 LYS 64 27.255 32.749 -6.922 485 HZ3 LYS 64 HZ3 LYS 64 27.857 31.944 -5.623 486 H SER 65 H SER 65 20.902 27.733 -4.326 487 HA SER 65 HA SER 65 21.825 24.965 -4.734 488 HB2 SER 65 HB2 SER 65 23.476 25.982 -3.192 489 HB3 SER 65 HB3 SER 65 22.158 26.460 -2.101 490 HG SER 65 HG SER 65 23.133 24.470 -1.504 491 H THR 66 H THR 66 20.593 23.473 -3.263 492 HA THR 66 HA THR 66 17.903 24.531 -2.545 493 HB THR 66 HB THR 66 18.388 21.915 -4.008 494 HG1 THR 66 HG1 THR 66 17.493 23.038 -5.772 495 HG21 THR 66 HG21 THR 66 15.937 22.013 -4.338 496 HG22 THR 66 HG22 THR 66 16.328 22.026 -2.606 497 HG23 THR 66 HG23 THR 66 15.871 23.538 -3.425 498 HA PRO 67 HA PRO 67 20.002 22.034 0.774 499 HB2 PRO 67 HB2 PRO 67 19.604 23.751 2.863 500 HB3 PRO 67 HB3 PRO 67 20.933 23.969 1.676 501 HG2 PRO 67 HG2 PRO 67 18.192 25.279 1.649 502 HG3 PRO 67 HG3 PRO 67 19.793 26.083 1.518 503 HD2 PRO 67 HD2 PRO 67 18.349 25.471 -0.688 504 HD3 PRO 67 HD3 PRO 67 20.129 25.239 -0.677 505 H VAL 68 H VAL 68 16.813 23.249 0.179 506 HA VAL 68 HA VAL 68 15.535 22.077 2.506 507 HB VAL 68 HB VAL 68 14.402 22.922 -0.186 508 HG11 VAL 68 HG11 VAL 68 13.061 22.437 2.510 509 HG12 VAL 68 HG12 VAL 68 12.276 23.173 1.094 510 HG13 VAL 68 HG13 VAL 68 12.820 21.489 1.022 511 HG21 VAL 68 HG21 VAL 68 15.544 24.787 0.963 512 HG22 VAL 68 HG22 VAL 68 13.781 25.002 1.022 513 HG23 VAL 68 HG23 VAL 68 14.653 24.420 2.458 514 H ALA 69 H ALA 69 16.772 20.840 -0.517 515 HA ALA 69 HA ALA 69 15.051 18.562 -0.770 516 HB1 ALA 69 HB1 ALA 69 16.870 17.692 -2.195 517 HB2 ALA 69 HB2 ALA 69 16.555 19.403 -2.558 518 HB3 ALA 69 HB3 ALA 69 17.969 18.940 -1.575 519 H GLU 70 H GLU 70 17.755 19.348 1.357 520 HA GLU 70 HA GLU 70 18.307 16.599 2.085 521 HB2 GLU 70 HB2 GLU 70 19.076 19.252 3.350 522 HB3 GLU 70 HB3 GLU 70 19.729 17.672 3.827 523 HG2 GLU 70 HG2 GLU 70 20.640 17.325 1.569 524 HG3 GLU 70 HG3 GLU 70 19.912 18.822 1.002 525 H ALA 71 H ALA 71 15.909 18.973 3.015 526 HA ALA 71 HA ALA 71 15.291 17.658 5.545 527 HB1 ALA 71 HB1 ALA 71 13.671 19.602 3.843 528 HB2 ALA 71 HB2 ALA 71 13.312 19.122 5.512 529 HB3 ALA 71 HB3 ALA 71 14.787 20.053 5.150 530 H LEU 72 H LEU 72 14.327 17.442 2.119 531 HA LEU 72 HA LEU 72 12.161 15.587 2.563 532 HB2 LEU 72 HB2 LEU 72 13.954 15.946 0.124 533 HB3 LEU 72 HB3 LEU 72 12.407 15.096 0.165 534 HG LEU 72 HG LEU 72 12.824 18.069 0.684 535 HD11 LEU 72 HD11 LEU 72 11.483 16.559 -1.598 536 HD12 LEU 72 HD12 LEU 72 11.584 18.327 -1.429 537 HD13 LEU 72 HD13 LEU 72 13.060 17.373 -1.687 538 HD21 LEU 72 HD21 LEU 72 10.948 17.242 2.029 539 HD22 LEU 72 HD22 LEU 72 10.335 18.167 0.651 540 HD23 LEU 72 HD23 LEU 72 10.284 16.387 0.615 541 H ALA 73 H ALA 73 15.700 15.285 2.193 542 HA ALA 73 HA ALA 73 15.680 12.399 2.104 543 HB1 ALA 73 HB1 ALA 73 18.102 12.650 2.499 544 HB2 ALA 73 HB2 ALA 73 17.548 13.768 1.237 545 HB3 ALA 73 HB3 ALA 73 17.875 14.369 2.883 546 H ALA 74 H ALA 74 15.417 14.791 4.656 547 HA ALA 74 HA ALA 74 16.006 12.867 6.777 548 HB1 ALA 74 HB1 ALA 74 14.847 15.683 6.881 549 HB2 ALA 74 HB2 ALA 74 15.434 14.735 8.267 550 HB3 ALA 74 HB3 ALA 74 16.573 15.266 7.011 551 H ARG 75 H ARG 75 13.383 13.471 4.724 552 HA ARG 75 HA ARG 75 11.536 12.118 6.627 553 HB2 ARG 75 HB2 ARG 75 10.907 13.934 4.270 554 HB3 ARG 75 HB3 ARG 75 9.699 13.071 5.235 555 HG2 ARG 75 HG2 ARG 75 11.654 15.139 6.331 556 HG3 ARG 75 HG3 ARG 75 9.952 15.438 5.947 557 HD2 ARG 75 HD2 ARG 75 9.258 13.762 7.617 558 HD3 ARG 75 HD3 ARG 75 10.949 13.419 8.008 559 HE ARG 75 HE ARG 75 9.423 15.867 8.685 560 HH11 ARG 75 HH11 ARG 75 12.496 14.097 8.803 561 HH12 ARG 75 HH12 ARG 75 13.166 15.136 10.037 562 HH21 ARG 75 HH21 ARG 75 10.333 17.190 10.291 563 HH22 ARG 75 HH22 ARG 75 11.951 16.877 10.876 564 H ASP 76 H ASP 76 13.668 11.150 4.594 565 HA ASP 76 HA ASP 76 13.962 9.475 3.155 566 HB2 ASP 76 HB2 ASP 76 13.046 8.287 5.134 567 HB3 ASP 76 HB3 ASP 76 11.449 8.292 4.369 568 H ILE 77 H ILE 77 12.631 11.713 2.049 569 HA ILE 77 HA ILE 77 10.966 10.468 -0.089 570 HB ILE 77 HB ILE 77 11.208 13.322 0.917 571 HG12 ILE 77 HG12 ILE 77 8.887 11.343 0.822 572 HG13 ILE 77 HG13 ILE 77 9.833 11.749 2.263 573 HG21 ILE 77 HG21 ILE 77 9.563 12.247 -1.410 574 HG22 ILE 77 HG22 ILE 77 9.560 13.920 -0.806 575 HG23 ILE 77 HG23 ILE 77 11.013 13.275 -1.572 576 HD11 ILE 77 HD11 ILE 77 8.078 13.656 0.669 577 HD12 ILE 77 HD12 ILE 77 7.772 13.018 2.296 578 HD13 ILE 77 HD13 ILE 77 9.134 14.131 2.024 579 HA PRO 78 HA PRO 78 14.927 10.883 -2.259 580 HB2 PRO 78 HB2 PRO 78 13.231 9.750 -4.456 581 HB3 PRO 78 HB3 PRO 78 14.860 9.239 -3.913 582 HG2 PRO 78 HG2 PRO 78 12.681 7.771 -3.245 583 HG3 PRO 78 HG3 PRO 78 13.945 8.106 -2.012 584 HD2 PRO 78 HD2 PRO 78 11.322 9.568 -2.440 585 HD3 PRO 78 HD3 PRO 78 12.024 8.933 -0.917 586 H PHE 79 H PHE 79 15.703 12.182 -4.024 587 HA PHE 79 HA PHE 79 13.740 13.776 -5.519 588 HB2 PHE 79 HB2 PHE 79 14.734 15.896 -4.887 589 HB3 PHE 79 HB3 PHE 79 14.098 15.065 -3.469 590 HD1 PHE 79 HD1 PHE 79 17.279 15.714 -5.349 591 HD2 PHE 79 HD2 PHE 79 15.464 14.703 -1.582 592 HE1 PHE 79 HE1 PHE 79 19.469 15.984 -4.216 593 HE2 PHE 79 HE2 PHE 79 17.653 15.039 -0.449 594 HZ PHE 79 HZ PHE 79 19.637 15.679 -1.756 595 H VAL 80 H VAL 80 14.781 15.116 -7.190 596 HA VAL 80 HA VAL 80 17.505 14.274 -8.008 597 HB VAL 80 HB VAL 80 14.993 14.205 -9.731 598 HG11 VAL 80 HG11 VAL 80 17.927 13.922 -10.512 599 HG12 VAL 80 HG12 VAL 80 16.556 13.496 -11.561 600 HG13 VAL 80 HG13 VAL 80 16.796 15.181 -11.056 601 HG21 VAL 80 HG21 VAL 80 15.654 11.848 -10.099 602 HG22 VAL 80 HG22 VAL 80 17.028 12.060 -8.987 603 HG23 VAL 80 HG23 VAL 80 15.360 12.173 -8.378 604 H PHE 81 H PHE 81 18.635 15.916 -9.135 605 HA PHE 81 HA PHE 81 17.413 18.589 -8.819 606 HB2 PHE 81 HB2 PHE 81 20.251 17.706 -9.388 607 HB3 PHE 81 HB3 PHE 81 19.731 19.385 -9.262 608 HD1 PHE 81 HD1 PHE 81 17.918 19.314 -6.890 609 HD2 PHE 81 HD2 PHE 81 21.696 17.387 -7.611 610 HE1 PHE 81 HE1 PHE 81 18.370 19.290 -4.454 611 HE2 PHE 81 HE2 PHE 81 22.148 17.369 -5.166 612 HZ PHE 81 HZ PHE 81 20.487 18.336 -3.590 613 H ALA 82 H ALA 82 17.431 20.159 -10.460 614 HA ALA 82 HA ALA 82 18.054 19.265 -13.208 615 HB1 ALA 82 HB1 ALA 82 15.899 20.132 -14.035 616 HB2 ALA 82 HB2 ALA 82 15.643 18.802 -12.886 617 HB3 ALA 82 HB3 ALA 82 15.386 20.484 -12.370 618 H THR 83 H THR 83 18.577 21.007 -14.624 619 HA THR 83 HA THR 83 18.463 23.758 -13.658 620 HB THR 83 HB THR 83 20.408 22.792 -12.408 621 HG1 THR 83 HG1 THR 83 21.804 24.449 -13.052 622 HG21 THR 83 HG21 THR 83 21.631 22.452 -15.180 623 HG22 THR 83 HG22 THR 83 22.456 22.215 -13.624 624 HG23 THR 83 HG23 THR 83 21.139 21.126 -14.101 625 H GLY 84 H GLY 84 19.649 25.232 -15.231 626 HA2 GLY 84 HA2 GLY 84 19.969 24.060 -17.952 627 HA3 GLY 84 HA3 GLY 84 18.937 25.483 -17.713 628 H GLY 85 H GLY 85 22.201 24.245 -17.841 629 HA2 GLY 85 HA2 GLY 85 23.649 26.350 -18.648 630 HA3 GLY 85 HA3 GLY 85 23.440 26.754 -16.935 631 H SER 86 H SER 86 25.817 26.542 -16.832 632 HA SER 86 HA SER 86 27.018 23.917 -17.113 633 HB2 SER 86 HB2 SER 86 28.292 26.001 -17.416 634 HB3 SER 86 HB3 SER 86 28.008 26.433 -15.716 635 HG SER 86 HG SER 86 30.032 25.384 -16.074 636 H ASP 87 H ASP 87 27.945 22.677 -15.342 637 HA ASP 87 HA ASP 87 26.222 22.751 -12.932 638 HB2 ASP 87 HB2 ASP 87 26.871 20.438 -12.626 639 HB3 ASP 87 HB3 ASP 87 26.260 20.682 -14.267 640 H ASP 88 H ASP 88 29.194 23.910 -13.904 641 HA ASP 88 HA ASP 88 30.757 23.115 -11.589 642 HB2 ASP 88 HB2 ASP 88 31.673 23.528 -13.884 643 HB3 ASP 88 HB3 ASP 88 31.325 25.247 -13.666 644 H SER 89 H SER 89 28.215 25.233 -11.856 645 HA SER 89 HA SER 89 29.340 27.177 -9.921 646 HB2 SER 89 HB2 SER 89 27.406 28.580 -10.551 647 HB3 SER 89 HB3 SER 89 28.400 28.158 -11.956 648 HG SER 89 HG SER 89 26.161 27.851 -12.344 649 H VAL 90 H VAL 90 28.090 24.267 -9.605 650 HA VAL 90 HA VAL 90 26.295 25.025 -7.351 651 HB VAL 90 HB VAL 90 25.946 22.601 -9.147 652 HG11 VAL 90 HG11 VAL 90 24.138 23.925 -7.080 653 HG12 VAL 90 HG12 VAL 90 23.726 22.503 -8.066 654 HG13 VAL 90 HG13 VAL 90 25.015 22.394 -6.855 655 HG21 VAL 90 HG21 VAL 90 24.459 25.260 -9.167 656 HG22 VAL 90 HG22 VAL 90 25.480 24.615 -10.480 657 HG23 VAL 90 HG23 VAL 90 23.966 23.798 -10.052 658 H ASP 91 H ASP 91 26.297 23.519 -5.559 659 HA ASP 91 HA ASP 91 28.894 22.749 -4.778 660 HB2 ASP 91 HB2 ASP 91 27.123 23.368 -3.218 661 HB3 ASP 91 HB3 ASP 91 26.165 21.965 -3.700 662 H SER 92 H SER 92 29.757 20.648 -4.257 663 HA SER 92 HA SER 92 29.719 18.992 -6.552 664 HB2 SER 92 HB2 SER 92 31.265 17.578 -5.254 665 HB3 SER 92 HB3 SER 92 31.681 19.298 -5.131 666 HG SER 92 HG SER 92 31.690 18.235 -3.096 667 H ARG 93 H ARG 93 27.647 18.920 -3.747 668 HA ARG 93 HA ARG 93 27.028 16.073 -3.965 669 HB2 ARG 93 HB2 ARG 93 25.614 18.341 -2.519 670 HB3 ARG 93 HB3 ARG 93 25.279 16.607 -2.321 671 HG2 ARG 93 HG2 ARG 93 27.618 16.235 -1.561 672 HG3 ARG 93 HG3 ARG 93 27.954 17.968 -1.743 673 HD2 ARG 93 HD2 ARG 93 25.924 16.712 0.135 674 HD3 ARG 93 HD3 ARG 93 27.477 17.435 0.595 675 HE ARG 93 HE ARG 93 26.356 19.527 -0.645 676 HH11 ARG 93 HH11 ARG 93 25.014 17.277 1.724 677 HH12 ARG 93 HH12 ARG 93 23.823 18.416 2.312 678 HH21 ARG 93 HH21 ARG 93 24.781 20.996 0.141 679 HH22 ARG 93 HH22 ARG 93 23.665 20.491 1.392 680 H PHE 94 H PHE 94 26.063 18.952 -5.638 681 HA PHE 94 HA PHE 94 23.639 17.668 -6.719 682 HB2 PHE 94 HB2 PHE 94 25.019 20.289 -7.407 683 HB3 PHE 94 HB3 PHE 94 23.463 19.750 -8.030 684 HD1 PHE 94 HD1 PHE 94 21.542 20.588 -7.047 685 HD2 PHE 94 HD2 PHE 94 25.142 20.338 -4.711 686 HE1 PHE 94 HE1 PHE 94 20.380 21.660 -5.141 687 HE2 PHE 94 HE2 PHE 94 23.969 21.392 -2.793 688 HZ PHE 94 HZ PHE 94 21.591 22.041 -3.001 689 H ARG 95 H ARG 95 27.035 18.046 -7.349 690 HA ARG 95 HA ARG 95 26.808 17.258 -10.173 691 HB2 ARG 95 HB2 ARG 95 29.294 17.615 -8.466 692 HB3 ARG 95 HB3 ARG 95 29.199 17.567 -10.233 693 HG2 ARG 95 HG2 ARG 95 27.766 19.640 -10.159 694 HG3 ARG 95 HG3 ARG 95 27.980 19.681 -8.400 695 HD2 ARG 95 HD2 ARG 95 29.587 21.186 -9.281 696 HD3 ARG 95 HD3 ARG 95 30.494 19.732 -8.805 697 HE ARG 95 HE ARG 95 29.718 19.500 -11.540 698 HH11 ARG 95 HH11 ARG 95 31.918 21.368 -9.504 699 HH12 ARG 95 HH12 ARG 95 32.990 21.754 -10.836 700 HH21 ARG 95 HH21 ARG 95 31.124 19.973 -13.213 701 HH22 ARG 95 HH22 ARG 95 32.584 20.902 -12.926 702 H ASP 96 H ASP 96 26.884 15.686 -7.145 703 HA ASP 96 HA ASP 96 28.013 13.193 -8.316 704 HB2 ASP 96 HB2 ASP 96 28.998 14.025 -6.207 705 HB3 ASP 96 HB3 ASP 96 27.408 13.980 -5.440 706 H ARG 97 H ARG 97 25.043 14.660 -7.061 707 HA ARG 97 HA ARG 97 23.572 12.116 -7.204 708 HB2 ARG 97 HB2 ARG 97 22.768 14.976 -6.563 709 HB3 ARG 97 HB3 ARG 97 21.622 13.625 -6.621 710 HG2 ARG 97 HG2 ARG 97 22.849 12.437 -4.878 711 HG3 ARG 97 HG3 ARG 97 24.088 13.707 -4.831 712 HD2 ARG 97 HD2 ARG 97 22.372 15.358 -4.161 713 HD3 ARG 97 HD3 ARG 97 21.134 14.090 -4.197 714 HE ARG 97 HE ARG 97 22.707 12.942 -2.457 715 HH11 ARG 97 HH11 ARG 97 22.143 16.425 -2.694 716 HH12 ARG 97 HH12 ARG 97 22.433 16.702 -0.990 717 HH21 ARG 97 HH21 ARG 97 23.061 13.332 -0.250 718 HH22 ARG 97 HH22 ARG 97 22.951 14.956 0.389 719 HA PRO 98 HA PRO 98 22.212 12.332 -11.327 720 HB2 PRO 98 HB2 PRO 98 19.367 12.266 -10.355 721 HB3 PRO 98 HB3 PRO 98 20.163 11.221 -11.582 722 HG2 PRO 98 HG2 PRO 98 19.720 10.265 -9.100 723 HG3 PRO 98 HG3 PRO 98 21.309 9.984 -9.885 724 HD2 PRO 98 HD2 PRO 98 20.572 12.121 -7.865 725 HD3 PRO 98 HD3 PRO 98 21.996 11.030 -7.879 726 H VAL 99 H VAL 99 21.585 13.780 -12.918 727 HA VAL 99 HA VAL 99 20.108 16.230 -12.153 728 HB VAL 99 HB VAL 99 21.781 17.606 -13.398 729 HG11 VAL 99 HG11 VAL 99 21.757 17.550 -10.939 730 HG12 VAL 99 HG12 VAL 99 22.883 16.174 -10.951 731 HG13 VAL 99 HG13 VAL 99 23.401 17.754 -11.577 732 HG21 VAL 99 HG21 VAL 99 23.551 15.137 -13.146 733 HG22 VAL 99 HG22 VAL 99 22.888 15.786 -14.663 734 HG23 VAL 99 HG23 VAL 99 24.050 16.743 -13.726 735 H LEU 100 H LEU 100 19.185 17.347 -13.939 736 HA LEU 100 HA LEU 100 19.401 16.074 -16.589 737 HB2 LEU 100 HB2 LEU 100 17.567 14.919 -15.344 738 HB3 LEU 100 HB3 LEU 100 16.760 16.477 -15.133 739 HG LEU 100 HG LEU 100 16.538 16.686 -17.600 740 HD11 LEU 100 HD11 LEU 100 18.498 15.380 -18.326 741 HD12 LEU 100 HD12 LEU 100 17.793 13.906 -17.622 742 HD13 LEU 100 HD13 LEU 100 17.017 14.693 -19.019 743 HD21 LEU 100 HD21 LEU 100 14.766 15.609 -16.252 744 HD22 LEU 100 HD22 LEU 100 14.870 14.878 -17.871 745 HD23 LEU 100 HD23 LEU 100 15.560 14.036 -16.463 746 H GLN 101 H GLN 101 18.914 17.481 -18.299 747 HA GLN 101 HA GLN 101 18.949 20.324 -17.591 748 HB2 GLN 101 HB2 GLN 101 19.046 18.939 -20.306 749 HB3 GLN 101 HB3 GLN 101 19.266 20.667 -20.000 750 HG2 GLN 101 HG2 GLN 101 21.455 19.856 -20.175 751 HG3 GLN 101 HG3 GLN 101 21.190 20.047 -18.444 752 HE21 GLN 101 HE21 GLN 101 22.816 16.832 -18.467 753 HE22 GLN 101 HE22 GLN 101 23.112 18.554 -18.380 754 H LYS 102 H LYS 102 17.417 21.871 -18.675 755 HA LYS 102 HA LYS 102 14.761 21.024 -18.031 756 HB2 LYS 102 HB2 LYS 102 15.728 23.558 -19.407 757 HB3 LYS 102 HB3 LYS 102 14.098 23.279 -18.767 758 HG2 LYS 102 HG2 LYS 102 15.122 22.799 -16.521 759 HG3 LYS 102 HG3 LYS 102 16.697 23.295 -17.183 760 HD2 LYS 102 HD2 LYS 102 15.738 25.528 -17.740 761 HD3 LYS 102 HD3 LYS 102 14.194 25.034 -17.024 762 HE2 LYS 102 HE2 LYS 102 16.869 25.212 -15.578 763 HE3 LYS 102 HE3 LYS 102 15.530 26.355 -15.424 764 HZ1 LYS 102 HZ1 LYS 102 15.563 24.754 -13.636 765 HZ2 LYS 102 HZ2 LYS 102 14.195 24.564 -14.518 766 HZ3 LYS 102 HZ3 LYS 102 15.426 23.500 -14.687 767 HA PRO 103 HA PRO 103 14.012 20.894 -22.803 768 HB2 PRO 103 HB2 PRO 103 16.694 19.819 -23.628 769 HB3 PRO 103 HB3 PRO 103 15.592 20.912 -24.526 770 HG2 PRO 103 HG2 PRO 103 17.827 21.893 -23.346 771 HG3 PRO 103 HG3 PRO 103 16.275 22.792 -23.211 772 HD2 PRO 103 HD2 PRO 103 17.503 20.878 -21.205 773 HD3 PRO 103 HD3 PRO 103 16.856 22.529 -20.931 774 H PHE 104 H PHE 104 12.812 19.044 -22.971 775 HA PHE 104 HA PHE 104 13.969 16.506 -21.893 776 HB2 PHE 104 HB2 PHE 104 11.221 17.741 -21.798 777 HB3 PHE 104 HB3 PHE 104 11.393 15.991 -21.783 778 HD1 PHE 104 HD1 PHE 104 10.297 15.826 -19.629 779 HD2 PHE 104 HD2 PHE 104 13.951 18.077 -20.064 780 HE1 PHE 104 HE1 PHE 104 10.662 15.738 -17.190 781 HE2 PHE 104 HE2 PHE 104 14.262 18.029 -17.618 782 HZ PHE 104 HZ PHE 104 12.621 16.871 -16.174 783 H THR 105 H THR 105 13.507 14.559 -22.926 784 HA THR 105 HA THR 105 12.260 14.628 -25.607 785 HB THR 105 HB THR 105 14.113 13.346 -26.566 786 HG1 THR 105 HG1 THR 105 16.065 13.240 -25.374 787 HG21 THR 105 HG21 THR 105 15.147 15.930 -25.334 788 HG22 THR 105 HG22 THR 105 15.743 15.130 -26.809 789 HG23 THR 105 HG23 THR 105 14.115 15.832 -26.779 790 H MET 106 H MET 106 11.745 12.394 -26.359 791 HA MET 106 HA MET 106 10.532 10.955 -24.206 792 HB2 MET 106 HB2 MET 106 11.004 10.221 -27.123 793 HB3 MET 106 HB3 MET 106 10.023 9.277 -25.991 794 HG2 MET 106 HG2 MET 106 8.520 10.645 -27.236 795 HG3 MET 106 HG3 MET 106 8.592 11.276 -25.595 796 HE1 MET 106 HE1 MET 106 7.407 13.465 -26.271 797 HE2 MET 106 HE2 MET 106 7.860 14.470 -27.665 798 HE3 MET 106 HE3 MET 106 7.231 12.823 -27.919 799 H ASP 107 H ASP 107 13.692 10.661 -25.767 800 HA ASP 107 HA ASP 107 14.154 8.002 -24.609 801 HB2 ASP 107 HB2 ASP 107 15.094 8.613 -26.802 802 HB3 ASP 107 HB3 ASP 107 15.991 9.944 -26.053 803 H GLY 108 H GLY 108 15.012 11.408 -23.900 804 HA2 GLY 108 HA2 GLY 108 16.981 10.691 -21.894 805 HA3 GLY 108 HA3 GLY 108 16.338 12.303 -22.238 806 H VAL 109 H VAL 109 13.487 11.318 -21.890 807 HA VAL 109 HA VAL 109 13.451 11.700 -18.978 808 HB VAL 109 HB VAL 109 11.230 11.541 -21.045 809 HG11 VAL 109 HG11 VAL 109 11.181 12.322 -18.092 810 HG12 VAL 109 HG12 VAL 109 9.832 12.535 -19.231 811 HG13 VAL 109 HG13 VAL 109 10.392 10.900 -18.808 812 HG21 VAL 109 HG21 VAL 109 11.121 13.980 -20.691 813 HG22 VAL 109 HG22 VAL 109 12.450 13.883 -19.509 814 HG23 VAL 109 HG23 VAL 109 12.757 13.532 -21.218 815 H ALA 110 H ALA 110 12.886 9.075 -21.336 816 HA ALA 110 HA ALA 110 11.607 7.304 -19.479 817 HB1 ALA 110 HB1 ALA 110 12.292 5.563 -21.101 818 HB2 ALA 110 HB2 ALA 110 11.576 6.965 -21.919 819 HB3 ALA 110 HB3 ALA 110 13.341 6.742 -21.921 820 H LYS 111 H LYS 111 14.953 8.250 -20.075 821 HA LYS 111 HA LYS 111 16.061 6.171 -18.328 822 HB2 LYS 111 HB2 LYS 111 17.252 8.559 -19.786 823 HB3 LYS 111 HB3 LYS 111 18.198 7.401 -18.827 824 HG2 LYS 111 HG2 LYS 111 17.567 5.564 -20.268 825 HG3 LYS 111 HG3 LYS 111 16.395 6.570 -21.138 826 HD2 LYS 111 HD2 LYS 111 18.228 8.014 -21.960 827 HD3 LYS 111 HD3 LYS 111 19.414 6.988 -21.116 828 HE2 LYS 111 HE2 LYS 111 18.766 5.055 -22.449 829 HE3 LYS 111 HE3 LYS 111 17.436 5.963 -23.190 830 HZ1 LYS 111 HZ1 LYS 111 20.286 6.634 -23.511 831 HZ2 LYS 111 HZ2 LYS 111 19.362 5.848 -24.622 832 HZ3 LYS 111 HZ3 LYS 111 19.006 7.393 -24.227 833 H ALA 112 H ALA 112 14.812 9.432 -18.030 834 HA ALA 112 HA ALA 112 16.220 9.990 -15.540 835 HB1 ALA 112 HB1 ALA 112 13.800 11.328 -16.818 836 HB2 ALA 112 HB2 ALA 112 14.781 11.979 -15.484 837 HB3 ALA 112 HB3 ALA 112 15.499 11.776 -17.099 838 H LEU 113 H LEU 113 13.004 8.719 -16.506 839 HA LEU 113 HA LEU 113 12.054 8.575 -13.760 840 HB2 LEU 113 HB2 LEU 113 11.133 7.631 -16.463 841 HB3 LEU 113 HB3 LEU 113 10.482 6.819 -15.039 842 HG LEU 113 HG LEU 113 9.050 8.684 -15.854 843 HD11 LEU 113 HD11 LEU 113 10.206 9.135 -13.074 844 HD12 LEU 113 HD12 LEU 113 8.614 9.653 -13.660 845 HD13 LEU 113 HD13 LEU 113 8.975 7.917 -13.508 846 HD21 LEU 113 HD21 LEU 113 10.846 10.261 -16.544 847 HD22 LEU 113 HD22 LEU 113 9.684 10.999 -15.426 848 HD23 LEU 113 HD23 LEU 113 11.280 10.495 -14.832 849 H ALA 114 H ALA 114 13.955 6.491 -15.942 850 HA ALA 114 HA ALA 114 13.770 4.158 -14.258 851 HB1 ALA 114 HB1 ALA 114 15.906 5.010 -16.258 852 HB2 ALA 114 HB2 ALA 114 15.703 3.385 -15.576 853 HB3 ALA 114 HB3 ALA 114 14.450 4.065 -16.635 854 H ALA 115 H ALA 115 15.676 7.130 -14.185 855 HA ALA 115 HA ALA 115 17.496 6.091 -12.139 856 HB1 ALA 115 HB1 ALA 115 17.155 8.863 -13.345 857 HB2 ALA 115 HB2 ALA 115 18.473 8.350 -12.264 858 HB3 ALA 115 HB3 ALA 115 18.316 7.625 -13.879 859 H LEU 116 H LEU 116 14.348 7.503 -12.222 860 HA LEU 116 HA LEU 116 14.613 8.723 -9.554 861 HB2 LEU 116 HB2 LEU 116 13.338 9.836 -11.383 862 HB3 LEU 116 HB3 LEU 116 12.243 8.446 -11.446 863 HG LEU 116 HG LEU 116 11.621 8.897 -9.041 864 HD11 LEU 116 HD11 LEU 116 13.204 11.458 -9.517 865 HD12 LEU 116 HD12 LEU 116 12.143 11.133 -8.127 866 HD13 LEU 116 HD13 LEU 116 13.623 10.177 -8.352 867 HD21 LEU 116 HD21 LEU 116 10.215 9.684 -10.877 868 HD22 LEU 116 HD22 LEU 116 10.237 10.885 -9.572 869 HD23 LEU 116 HD23 LEU 116 11.203 11.156 -11.039 870 H LEU 117 H LEU 117 13.246 5.834 -11.116 871 HA LEU 117 HA LEU 117 11.910 5.032 -8.607 872 HB2 LEU 117 HB2 LEU 117 11.779 4.144 -11.491 873 HB3 LEU 117 HB3 LEU 117 11.221 3.077 -10.198 874 HG LEU 117 HG LEU 117 9.667 4.810 -9.387 875 HD11 LEU 117 HD11 LEU 117 10.758 6.856 -10.251 876 HD12 LEU 117 HD12 LEU 117 10.432 6.323 -11.922 877 HD13 LEU 117 HD13 LEU 117 9.089 6.721 -10.830 878 HD21 LEU 117 HD21 LEU 117 9.373 4.110 -12.336 879 HD22 LEU 117 HD22 LEU 117 8.967 3.040 -10.970 880 HD23 LEU 117 HD23 LEU 117 8.055 4.542 -11.223 881 H VAL 118 H VAL 118 15.015 4.782 -9.759 882 HA VAL 118 HA VAL 118 15.444 2.288 -8.196 883 HB VAL 118 HB VAL 118 16.744 2.909 -10.878 884 HG11 VAL 118 HG11 VAL 118 17.006 0.533 -8.987 885 HG12 VAL 118 HG12 VAL 118 17.740 0.660 -10.600 886 HG13 VAL 118 HG13 VAL 118 18.254 1.762 -9.306 887 HG21 VAL 118 HG21 VAL 118 14.418 2.121 -11.166 888 HG22 VAL 118 HG22 VAL 118 15.559 0.853 -11.639 889 HG23 VAL 118 HG23 VAL 118 14.733 0.758 -10.067 Start of MODEL 3 1 H1 MET 1 H1 NME 1 13.942 -3.067 -4.007 2 H2 MET 1 H2 NME 1 14.075 -1.424 -4.014 3 H3 MET 1 H3 NME 1 12.930 -2.166 -4.938 4 HA MET 1 HA NME 1 11.785 -2.962 -3.019 5 HB2 MET 1 HB2 NME 1 13.794 -3.114 -1.582 6 HB3 MET 1 HB3 NME 1 13.861 -1.344 -1.493 7 HG2 MET 1 HG2 NME 1 11.640 -1.304 -0.434 8 HG3 MET 1 HG3 NME 1 11.534 -3.071 -0.567 9 HE1 MET 1 HE1 NME 1 11.016 -1.423 2.092 10 HE2 MET 1 HE2 NME 1 10.892 -3.197 1.966 11 HE3 MET 1 HE3 NME 1 11.851 -2.457 3.275 12 H SER 2 H SER 2 10.012 -1.795 -2.325 13 HA SER 2 HA SER 2 8.429 -0.192 -2.470 14 HB2 SER 2 HB2 SER 2 10.753 1.686 -1.957 15 HB3 SER 2 HB3 SER 2 9.027 2.056 -1.736 16 HG SER 2 HG SER 2 10.029 1.386 0.204 17 H ALA 3 H ALA 3 7.887 2.102 -3.513 18 HA ALA 3 HA ALA 3 9.083 2.386 -6.191 19 HB1 ALA 3 HB1 ALA 3 7.254 0.718 -6.451 20 HB2 ALA 3 HB2 ALA 3 6.117 1.867 -5.702 21 HB3 ALA 3 HB3 ALA 3 6.869 2.254 -7.267 22 H LEU 4 H LEU 4 8.187 4.329 -7.302 23 HA LEU 4 HA LEU 4 7.090 6.370 -5.497 24 HB2 LEU 4 HB2 LEU 4 8.846 7.983 -6.136 25 HB3 LEU 4 HB3 LEU 4 9.426 6.684 -5.104 26 HG LEU 4 HG LEU 4 9.789 6.556 -8.121 27 HD11 LEU 4 HD11 LEU 4 10.726 8.695 -7.322 28 HD12 LEU 4 HD12 LEU 4 11.592 7.841 -6.021 29 HD13 LEU 4 HD13 LEU 4 12.032 7.561 -7.719 30 HD21 LEU 4 HD21 LEU 4 10.289 4.466 -6.944 31 HD22 LEU 4 HD22 LEU 4 11.798 5.237 -7.456 32 HD23 LEU 4 HD23 LEU 4 11.282 5.351 -5.756 33 H THR 5 H THR 5 5.397 5.494 -7.110 34 HA THR 5 HA THR 5 5.503 6.554 -9.799 35 HB THR 5 HB THR 5 2.882 6.147 -9.398 36 HG1 THR 5 HG1 THR 5 2.628 4.503 -7.864 37 HG21 THR 5 HG21 THR 5 3.239 3.791 -10.039 38 HG22 THR 5 HG22 THR 5 4.257 4.908 -10.966 39 HG23 THR 5 HG23 THR 5 4.970 3.951 -9.633 40 H GLN 6 H GLN 6 5.247 8.128 -6.836 41 HA GLN 6 HA GLN 6 3.581 10.258 -8.070 42 HB2 GLN 6 HB2 GLN 6 3.761 9.445 -5.139 43 HB3 GLN 6 HB3 GLN 6 2.770 10.741 -5.803 44 HG2 GLN 6 HG2 GLN 6 1.747 9.014 -7.399 45 HG3 GLN 6 HG3 GLN 6 2.593 7.762 -6.478 46 HE21 GLN 6 HE21 GLN 6 -0.808 7.711 -5.220 47 HE22 GLN 6 HE22 GLN 6 0.147 7.231 -6.613 48 H ILE 7 H ILE 7 4.674 11.922 -8.635 49 HA ILE 7 HA ILE 7 7.150 12.616 -7.131 50 HB ILE 7 HB ILE 7 6.597 12.933 -10.099 51 HG12 ILE 7 HG12 ILE 7 6.743 10.548 -9.624 52 HG13 ILE 7 HG13 ILE 7 8.217 11.100 -10.428 53 HG21 ILE 7 HG21 ILE 7 9.108 13.292 -8.418 54 HG22 ILE 7 HG22 ILE 7 9.053 13.330 -10.201 55 HG23 ILE 7 HG23 ILE 7 8.194 14.562 -9.265 56 HD11 ILE 7 HD11 ILE 7 7.886 10.590 -7.444 57 HD12 ILE 7 HD12 ILE 7 8.730 9.544 -8.600 58 HD13 ILE 7 HD13 ILE 7 9.381 11.158 -8.233 59 H LEU 8 H LEU 8 7.386 14.669 -6.460 60 HA LEU 8 HA LEU 8 5.299 16.648 -7.134 61 HB2 LEU 8 HB2 LEU 8 6.350 16.061 -4.778 62 HB3 LEU 8 HB3 LEU 8 7.649 17.125 -5.303 63 HG LEU 8 HG LEU 8 4.720 17.790 -4.849 64 HD11 LEU 8 HD11 LEU 8 7.313 18.893 -3.695 65 HD12 LEU 8 HD12 LEU 8 5.672 19.377 -3.221 66 HD13 LEU 8 HD13 LEU 8 6.241 17.726 -2.888 67 HD21 LEU 8 HD21 LEU 8 5.316 20.148 -5.427 68 HD22 LEU 8 HD22 LEU 8 6.855 19.561 -6.102 69 HD23 LEU 8 HD23 LEU 8 5.291 19.067 -6.820 70 H ILE 9 H ILE 9 5.670 18.328 -8.531 71 HA ILE 9 HA ILE 9 8.305 18.452 -9.885 72 HB ILE 9 HB ILE 9 5.611 19.705 -10.527 73 HG12 ILE 9 HG12 ILE 9 7.064 17.441 -11.955 74 HG13 ILE 9 HG13 ILE 9 5.809 17.172 -10.728 75 HG21 ILE 9 HG21 ILE 9 8.198 19.600 -12.148 76 HG22 ILE 9 HG22 ILE 9 6.655 20.300 -12.694 77 HG23 ILE 9 HG23 ILE 9 7.534 21.049 -11.357 78 HD11 ILE 9 HD11 ILE 9 4.174 18.416 -12.058 79 HD12 ILE 9 HD12 ILE 9 5.393 18.751 -13.304 80 HD13 ILE 9 HD13 ILE 9 4.864 17.084 -13.007 81 H VAL 10 H VAL 10 9.745 20.045 -9.463 82 HA VAL 10 HA VAL 10 8.737 22.563 -8.229 83 HB VAL 10 HB VAL 10 11.270 21.102 -7.405 84 HG11 VAL 10 HG11 VAL 10 11.388 23.534 -7.171 85 HG12 VAL 10 HG12 VAL 10 9.827 23.555 -6.321 86 HG13 VAL 10 HG13 VAL 10 11.238 22.784 -5.565 87 HG21 VAL 10 HG21 VAL 10 9.342 19.826 -6.592 88 HG22 VAL 10 HG22 VAL 10 10.101 20.703 -5.246 89 HG23 VAL 10 HG23 VAL 10 8.595 21.315 -5.964 90 H GLU 11 H GLU 11 9.191 24.183 -9.569 91 HA GLU 11 HA GLU 11 11.697 24.116 -11.181 92 HB2 GLU 11 HB2 GLU 11 8.836 24.400 -12.158 93 HB3 GLU 11 HB3 GLU 11 10.217 24.965 -13.105 94 HG2 GLU 11 HG2 GLU 11 9.830 22.100 -12.137 95 HG3 GLU 11 HG3 GLU 11 9.474 22.686 -13.765 96 H ASP 12 H ASP 12 12.209 26.167 -12.184 97 HA ASP 12 HA ASP 12 11.199 28.483 -10.605 98 HB2 ASP 12 HB2 ASP 12 13.582 27.876 -10.259 99 HB3 ASP 12 HB3 ASP 12 13.878 28.102 -11.988 100 H GLU 13 H GLU 13 10.650 27.003 -13.438 101 HA GLU 13 HA GLU 13 10.033 29.533 -14.860 102 HB2 GLU 13 HB2 GLU 13 12.189 28.770 -15.721 103 HB3 GLU 13 HB3 GLU 13 11.542 27.146 -15.985 104 HG2 GLU 13 HG2 GLU 13 11.624 28.393 -18.086 105 HG3 GLU 13 HG3 GLU 13 9.951 28.030 -17.645 106 HA PRO 14 HA PRO 14 6.242 27.089 -14.673 107 HB2 PRO 14 HB2 PRO 14 5.363 29.407 -16.381 108 HB3 PRO 14 HB3 PRO 14 4.511 28.643 -14.998 109 HG2 PRO 14 HG2 PRO 14 5.814 30.982 -14.631 110 HG3 PRO 14 HG3 PRO 14 6.022 29.660 -13.429 111 HD2 PRO 14 HD2 PRO 14 7.860 30.417 -15.714 112 HD3 PRO 14 HD3 PRO 14 8.268 30.065 -14.006 113 H LEU 15 H LEU 15 7.929 28.171 -17.593 114 HA LEU 15 HA LEU 15 6.202 26.738 -19.420 115 HB2 LEU 15 HB2 LEU 15 7.574 28.676 -20.099 116 HB3 LEU 15 HB3 LEU 15 9.049 27.777 -19.710 117 HG LEU 15 HG LEU 15 8.520 26.122 -21.469 118 HD11 LEU 15 HD11 LEU 15 6.058 26.238 -21.474 119 HD12 LEU 15 HD12 LEU 15 6.123 27.927 -22.030 120 HD13 LEU 15 HD13 LEU 15 6.693 26.610 -23.084 121 HD21 LEU 15 HD21 LEU 15 9.858 28.125 -22.012 122 HD22 LEU 15 HD22 LEU 15 8.868 27.612 -23.399 123 HD23 LEU 15 HD23 LEU 15 8.378 29.016 -22.420 124 H ILE 16 H ILE 16 9.141 25.964 -17.550 125 HA ILE 16 HA ILE 16 9.500 23.399 -18.889 126 HB ILE 16 HB ILE 16 10.646 24.493 -16.285 127 HG12 ILE 16 HG12 ILE 16 11.272 25.911 -18.186 128 HG13 ILE 16 HG13 ILE 16 12.660 24.995 -17.599 129 HG21 ILE 16 HG21 ILE 16 12.424 22.771 -16.674 130 HG22 ILE 16 HG22 ILE 16 10.830 22.077 -16.338 131 HG23 ILE 16 HG23 ILE 16 11.441 22.100 -18.000 132 HD11 ILE 16 HD11 ILE 16 12.390 23.379 -19.471 133 HD12 ILE 16 HD12 ILE 16 10.994 24.315 -20.061 134 HD13 ILE 16 HD13 ILE 16 12.614 25.037 -20.051 135 H ALA 17 H ALA 17 7.795 24.666 -16.037 136 HA ALA 17 HA ALA 17 7.235 22.116 -14.858 137 HB1 ALA 17 HB1 ALA 17 7.068 24.273 -13.664 138 HB2 ALA 17 HB2 ALA 17 5.717 24.755 -14.718 139 HB3 ALA 17 HB3 ALA 17 5.529 23.381 -13.611 140 H MET 18 H MET 18 5.862 23.902 -17.576 141 HA MET 18 HA MET 18 3.419 22.330 -17.670 142 HB2 MET 18 HB2 MET 18 3.600 24.654 -18.543 143 HB3 MET 18 HB3 MET 18 4.762 24.103 -19.757 144 HG2 MET 18 HG2 MET 18 2.526 24.285 -20.729 145 HG3 MET 18 HG3 MET 18 3.093 22.616 -20.746 146 HE1 MET 18 HE1 MET 18 -0.155 24.297 -17.886 147 HE2 MET 18 HE2 MET 18 1.564 24.683 -17.693 148 HE3 MET 18 HE3 MET 18 0.682 25.236 -19.140 149 H MET 19 H MET 19 6.705 22.143 -19.056 150 HA MET 19 HA MET 19 6.020 19.974 -20.862 151 HB2 MET 19 HB2 MET 19 8.692 20.956 -19.784 152 HB3 MET 19 HB3 MET 19 8.496 19.714 -21.029 153 HG2 MET 19 HG2 MET 19 7.576 22.608 -21.195 154 HG3 MET 19 HG3 MET 19 8.941 21.898 -22.048 155 HE1 MET 19 HE1 MET 19 7.198 19.487 -24.612 156 HE2 MET 19 HE2 MET 19 8.735 20.079 -23.939 157 HE3 MET 19 HE3 MET 19 7.675 19.030 -22.963 158 H LEU 20 H LEU 20 7.069 20.221 -17.461 159 HA LEU 20 HA LEU 20 7.656 17.412 -17.200 160 HB2 LEU 20 HB2 LEU 20 7.313 19.783 -15.422 161 HB3 LEU 20 HB3 LEU 20 6.914 18.229 -14.685 162 HG LEU 20 HG LEU 20 9.277 18.934 -14.325 163 HD11 LEU 20 HD11 LEU 20 8.883 16.356 -15.898 164 HD12 LEU 20 HD12 LEU 20 10.221 16.721 -14.779 165 HD13 LEU 20 HD13 LEU 20 8.560 16.585 -14.166 166 HD21 LEU 20 HD21 LEU 20 9.710 19.962 -16.528 167 HD22 LEU 20 HD22 LEU 20 10.895 18.706 -16.137 168 HD23 LEU 20 HD23 LEU 20 9.591 18.365 -17.301 169 H GLU 21 H GLU 21 4.664 19.343 -17.068 170 HA GLU 21 HA GLU 21 3.089 17.105 -16.062 171 HB2 GLU 21 HB2 GLU 21 2.430 19.769 -17.364 172 HB3 GLU 21 HB3 GLU 21 1.180 18.590 -16.931 173 HG2 GLU 21 HG2 GLU 21 3.206 19.613 -14.909 174 HG3 GLU 21 HG3 GLU 21 1.661 20.418 -15.219 175 H ASP 22 H ASP 22 4.325 18.129 -19.190 176 HA ASP 22 HA ASP 22 2.336 16.618 -20.688 177 HB2 ASP 22 HB2 ASP 22 3.371 18.685 -21.555 178 HB3 ASP 22 HB3 ASP 22 4.955 17.888 -21.555 179 H PHE 23 H PHE 23 5.807 16.137 -19.737 180 HA PHE 23 HA PHE 23 5.937 13.650 -21.223 181 HB2 PHE 23 HB2 PHE 23 7.731 15.044 -19.236 182 HB3 PHE 23 HB3 PHE 23 8.058 13.401 -19.788 183 HD1 PHE 23 HD1 PHE 23 8.208 12.961 -22.302 184 HD2 PHE 23 HD2 PHE 23 8.479 16.881 -20.568 185 HE1 PHE 23 HE1 PHE 23 9.342 13.792 -24.350 186 HE2 PHE 23 HE2 PHE 23 9.580 17.720 -22.626 187 HZ PHE 23 HZ PHE 23 10.017 16.174 -24.517 188 H LEU 24 H LEU 24 5.009 14.515 -17.884 189 HA LEU 24 HA LEU 24 5.201 11.732 -17.033 190 HB2 LEU 24 HB2 LEU 24 3.981 14.202 -15.755 191 HB3 LEU 24 HB3 LEU 24 4.051 12.616 -14.977 192 HG LEU 24 HG LEU 24 6.480 14.211 -15.926 193 HD11 LEU 24 HD11 LEU 24 5.411 13.658 -13.122 194 HD12 LEU 24 HD12 LEU 24 6.890 14.566 -13.521 195 HD13 LEU 24 HD13 LEU 24 5.296 15.212 -13.973 196 HD21 LEU 24 HD21 LEU 24 6.911 11.778 -15.931 197 HD22 LEU 24 HD22 LEU 24 7.766 12.572 -14.595 198 HD23 LEU 24 HD23 LEU 24 6.271 11.666 -14.269 199 H GLU 25 H GLU 25 2.849 13.639 -18.755 200 HA GLU 25 HA GLU 25 0.644 11.825 -18.083 201 HB2 GLU 25 HB2 GLU 25 0.302 14.236 -18.499 202 HB3 GLU 25 HB3 GLU 25 0.869 14.033 -20.169 203 HG2 GLU 25 HG2 GLU 25 -0.982 12.494 -20.638 204 HG3 GLU 25 HG3 GLU 25 -1.519 12.590 -18.950 205 H VAL 26 H VAL 26 3.181 12.133 -20.520 206 HA VAL 26 HA VAL 26 1.906 10.243 -22.363 207 HB VAL 26 HB VAL 26 4.608 11.634 -22.257 208 HG11 VAL 26 HG11 VAL 26 4.912 10.823 -24.594 209 HG12 VAL 26 HG12 VAL 26 4.953 9.496 -23.419 210 HG13 VAL 26 HG13 VAL 26 3.491 9.772 -24.394 211 HG21 VAL 26 HG21 VAL 26 2.221 11.896 -24.140 212 HG22 VAL 26 HG22 VAL 26 2.586 13.012 -22.810 213 HG23 VAL 26 HG23 VAL 26 3.712 12.870 -24.175 214 H LEU 27 H LEU 27 4.018 10.092 -19.575 215 HA LEU 27 HA LEU 27 4.773 7.313 -20.269 216 HB2 LEU 27 HB2 LEU 27 5.870 9.236 -18.191 217 HB3 LEU 27 HB3 LEU 27 6.433 7.572 -18.428 218 HG LEU 27 HG LEU 27 6.542 9.763 -20.549 219 HD11 LEU 27 HD11 LEU 27 8.736 8.490 -18.869 220 HD12 LEU 27 HD12 LEU 27 8.961 9.698 -20.154 221 HD13 LEU 27 HD13 LEU 27 8.100 10.136 -18.661 222 HD21 LEU 27 HD21 LEU 27 7.998 8.148 -21.748 223 HD22 LEU 27 HD22 LEU 27 7.632 6.921 -20.513 224 HD23 LEU 27 HD23 LEU 27 6.341 7.544 -21.576 225 H ASP 28 H ASP 28 2.109 8.421 -19.134 226 HA ASP 28 HA ASP 28 0.525 7.764 -17.672 227 HB2 ASP 28 HB2 ASP 28 0.870 5.755 -19.103 228 HB3 ASP 28 HB3 ASP 28 1.942 5.088 -17.871 229 H LYS 29 H LYS 29 2.661 9.069 -16.407 230 HA LYS 29 HA LYS 29 3.252 7.620 -13.928 231 HB2 LYS 29 HB2 LYS 29 4.495 9.621 -15.469 232 HB3 LYS 29 HB3 LYS 29 3.942 10.475 -14.028 233 HG2 LYS 29 HG2 LYS 29 5.634 7.929 -14.045 234 HG3 LYS 29 HG3 LYS 29 6.254 9.572 -13.826 235 HD2 LYS 29 HD2 LYS 29 4.662 9.789 -11.844 236 HD3 LYS 29 HD3 LYS 29 4.445 8.027 -11.961 237 HE2 LYS 29 HE2 LYS 29 7.078 9.516 -11.591 238 HE3 LYS 29 HE3 LYS 29 6.195 8.646 -10.328 239 HZ1 LYS 29 HZ1 LYS 29 7.377 7.459 -12.756 240 HZ2 LYS 29 HZ2 LYS 29 7.955 7.317 -11.224 241 HZ3 LYS 29 HZ3 LYS 29 6.513 6.627 -11.634 242 H THR 30 H THR 30 2.817 8.771 -11.780 243 HA THR 30 HA THR 30 0.123 10.056 -11.876 244 HB THR 30 HB THR 30 1.201 8.258 -9.663 245 HG1 THR 30 HG1 THR 30 -0.193 6.743 -10.594 246 HG21 THR 30 HG21 THR 30 -1.582 9.297 -10.349 247 HG22 THR 30 HG22 THR 30 -1.176 8.203 -9.010 248 HG23 THR 30 HG23 THR 30 -0.581 9.875 -9.000 249 HA PRO 31 HA PRO 31 3.173 13.002 -9.956 250 HB2 PRO 31 HB2 PRO 31 2.229 15.277 -11.173 251 HB3 PRO 31 HB3 PRO 31 3.446 14.190 -11.919 252 HG2 PRO 31 HG2 PRO 31 0.445 14.208 -12.367 253 HG3 PRO 31 HG3 PRO 31 1.743 14.182 -13.605 254 HD2 PRO 31 HD2 PRO 31 0.502 11.907 -12.832 255 HD3 PRO 31 HD3 PRO 31 2.270 11.915 -13.117 256 H VAL 32 H VAL 32 2.638 14.807 -8.443 257 HA VAL 32 HA VAL 32 -0.154 14.499 -7.426 258 HB VAL 32 HB VAL 32 0.763 14.499 -5.152 259 HG11 VAL 32 HG11 VAL 32 2.121 12.401 -6.890 260 HG12 VAL 32 HG12 VAL 32 1.643 12.257 -5.183 261 HG13 VAL 32 HG13 VAL 32 0.397 12.376 -6.447 262 HG21 VAL 32 HG21 VAL 32 3.482 14.402 -6.539 263 HG22 VAL 32 HG22 VAL 32 2.873 15.731 -5.516 264 HG23 VAL 32 HG23 VAL 32 3.198 14.120 -4.820 265 H GLY 33 H GLY 33 2.201 16.781 -8.460 266 HA2 GLY 33 HA2 GLY 33 0.535 18.959 -8.228 267 HA3 GLY 33 HA3 GLY 33 1.364 18.915 -6.669 268 H THR 34 H THR 34 1.735 21.111 -8.042 269 HA THR 34 HA THR 34 4.566 20.963 -8.913 270 HB THR 34 HB THR 34 2.348 22.456 -10.372 271 HG1 THR 34 HG1 THR 34 2.845 21.005 -12.034 272 HG21 THR 34 HG21 THR 34 5.335 22.208 -10.947 273 HG22 THR 34 HG22 THR 34 4.131 22.992 -12.003 274 HG23 THR 34 HG23 THR 34 4.490 23.681 -10.411 275 H VAL 35 H VAL 35 5.775 22.673 -8.164 276 HA VAL 35 HA VAL 35 4.395 25.025 -7.030 277 HB VAL 35 HB VAL 35 5.788 24.908 -4.990 278 HG11 VAL 35 HG11 VAL 35 4.040 22.442 -5.399 279 HG12 VAL 35 HG12 VAL 35 4.496 23.163 -3.845 280 HG13 VAL 35 HG13 VAL 35 3.455 24.064 -4.971 281 HG21 VAL 35 HG21 VAL 35 6.866 22.775 -4.365 282 HG22 VAL 35 HG22 VAL 35 6.459 22.100 -5.954 283 HG23 VAL 35 HG23 VAL 35 7.599 23.465 -5.831 284 H ASP 36 H ASP 36 5.868 26.830 -6.636 285 HA ASP 36 HA ASP 36 8.409 26.661 -8.156 286 HB2 ASP 36 HB2 ASP 36 7.842 28.746 -9.344 287 HB3 ASP 36 HB3 ASP 36 6.710 27.440 -9.728 288 H THR 37 H THR 37 7.025 27.299 -5.270 289 HA THR 37 HA THR 37 9.178 29.199 -4.523 290 HB THR 37 HB THR 37 6.256 29.488 -3.715 291 HG1 THR 37 HG1 THR 37 6.725 30.194 -5.836 292 HG21 THR 37 HG21 THR 37 7.053 31.641 -2.730 293 HG22 THR 37 HG22 THR 37 7.742 30.225 -1.912 294 HG23 THR 37 HG23 THR 37 8.729 31.152 -3.072 295 H VAL 38 H VAL 38 9.843 28.975 -2.319 296 HA VAL 38 HA VAL 38 9.865 26.269 -1.447 297 HB VAL 38 HB VAL 38 10.612 28.836 0.004 298 HG11 VAL 38 HG11 VAL 38 11.357 25.937 0.578 299 HG12 VAL 38 HG12 VAL 38 12.061 27.365 1.377 300 HG13 VAL 38 HG13 VAL 38 10.349 26.983 1.607 301 HG21 VAL 38 HG21 VAL 38 12.904 28.240 -0.706 302 HG22 VAL 38 HG22 VAL 38 12.272 26.835 -1.595 303 HG23 VAL 38 HG23 VAL 38 11.847 28.482 -2.112 304 H ALA 39 H ALA 39 7.777 29.025 -0.543 305 HA ALA 39 HA ALA 39 6.781 27.842 1.869 306 HB1 ALA 39 HB1 ALA 39 5.527 29.895 -0.006 307 HB2 ALA 39 HB2 ALA 39 5.017 29.557 1.663 308 HB3 ALA 39 HB3 ALA 39 6.621 30.250 1.349 309 H GLY 40 H GLY 40 5.924 27.472 -1.559 310 HA2 GLY 40 HA2 GLY 40 3.416 26.086 -1.006 311 HA3 GLY 40 HA3 GLY 40 4.241 26.257 -2.570 312 H ALA 41 H ALA 41 6.834 25.224 -1.483 313 HA ALA 41 HA ALA 41 6.324 22.422 -1.978 314 HB1 ALA 41 HB1 ALA 41 8.371 23.609 -2.728 315 HB2 ALA 41 HB2 ALA 41 8.840 23.846 -1.025 316 HB3 ALA 41 HB3 ALA 41 8.747 22.208 -1.706 317 H LEU 42 H LEU 42 6.858 24.438 0.917 318 HA LEU 42 HA LEU 42 7.083 22.135 2.683 319 HB2 LEU 42 HB2 LEU 42 6.942 25.123 2.956 320 HB3 LEU 42 HB3 LEU 42 6.462 24.153 4.350 321 HG LEU 42 HG LEU 42 8.855 24.843 4.384 322 HD11 LEU 42 HD11 LEU 42 8.391 21.835 4.257 323 HD12 LEU 42 HD12 LEU 42 9.704 22.673 5.109 324 HD13 LEU 42 HD13 LEU 42 8.026 22.886 5.642 325 HD21 LEU 42 HD21 LEU 42 9.378 24.616 1.975 326 HD22 LEU 42 HD22 LEU 42 10.478 23.656 2.985 327 HD23 LEU 42 HD23 LEU 42 9.167 22.852 2.102 328 H ALA 43 H ALA 43 4.458 24.092 1.319 329 HA ALA 43 HA ALA 43 2.459 23.189 3.191 330 HB1 ALA 43 HB1 ALA 43 2.202 24.293 0.364 331 HB2 ALA 43 HB2 ALA 43 0.889 24.136 1.549 332 HB3 ALA 43 HB3 ALA 43 2.241 25.248 1.863 333 H ARG 44 H ARG 44 3.968 21.810 0.325 334 HA ARG 44 HA ARG 44 1.841 19.813 -0.042 335 HB2 ARG 44 HB2 ARG 44 4.518 20.349 -1.369 336 HB3 ARG 44 HB3 ARG 44 3.492 18.975 -1.800 337 HG2 ARG 44 HG2 ARG 44 2.547 21.868 -1.928 338 HG3 ARG 44 HG3 ARG 44 3.228 20.967 -3.297 339 HD2 ARG 44 HD2 ARG 44 1.450 19.248 -3.027 340 HD3 ARG 44 HD3 ARG 44 0.729 20.218 -1.728 341 HE ARG 44 HE ARG 44 0.820 22.034 -3.724 342 HH11 ARG 44 HH11 ARG 44 -0.284 18.667 -3.708 343 HH12 ARG 44 HH12 ARG 44 -1.447 18.924 -4.981 344 HH21 ARG 44 HH21 ARG 44 -0.711 22.334 -5.389 345 HH22 ARG 44 HH22 ARG 44 -1.696 20.996 -5.927 346 H VAL 45 H VAL 45 5.016 20.005 1.569 347 HA VAL 45 HA VAL 45 5.171 17.090 1.709 348 HB VAL 45 HB VAL 45 7.140 18.672 1.468 349 HG11 VAL 45 HG11 VAL 45 6.766 18.977 4.486 350 HG12 VAL 45 HG12 VAL 45 8.096 19.617 3.501 351 HG13 VAL 45 HG13 VAL 45 6.449 20.250 3.289 352 HG21 VAL 45 HG21 VAL 45 7.393 16.280 2.013 353 HG22 VAL 45 HG22 VAL 45 8.603 17.267 2.868 354 HG23 VAL 45 HG23 VAL 45 7.192 16.646 3.742 355 H GLU 46 H GLU 46 3.841 19.661 3.685 356 HA GLU 46 HA GLU 46 3.692 17.985 6.078 357 HB2 GLU 46 HB2 GLU 46 2.505 20.684 5.357 358 HB3 GLU 46 HB3 GLU 46 2.255 19.865 6.912 359 HG2 GLU 46 HG2 GLU 46 4.717 19.767 7.257 360 HG3 GLU 46 HG3 GLU 46 4.961 20.671 5.759 361 H ASP 47 H ASP 47 1.919 18.238 3.139 362 HA ASP 47 HA ASP 47 -0.594 17.304 4.364 363 HB2 ASP 47 HB2 ASP 47 -0.568 19.039 2.580 364 HB3 ASP 47 HB3 ASP 47 0.136 17.855 1.466 365 H GLY 48 H GLY 48 2.298 15.963 3.092 366 HA2 GLY 48 HA2 GLY 48 2.930 13.777 2.720 367 HA3 GLY 48 HA3 GLY 48 1.393 13.271 3.429 368 H GLY 49 H GLY 49 1.603 11.559 1.721 369 HA2 GLY 49 HA2 GLY 49 0.534 10.660 -0.115 370 HA3 GLY 49 HA3 GLY 49 -0.110 12.263 -0.518 371 H ILE 50 H ILE 50 3.356 11.808 -0.037 372 HA ILE 50 HA ILE 50 3.777 11.893 -2.992 373 HB ILE 50 HB ILE 50 5.365 13.452 -0.923 374 HG12 ILE 50 HG12 ILE 50 3.083 14.336 -2.733 375 HG13 ILE 50 HG13 ILE 50 3.136 14.375 -0.963 376 HG21 ILE 50 HG21 ILE 50 5.310 13.572 -3.973 377 HG22 ILE 50 HG22 ILE 50 6.328 14.568 -2.900 378 HG23 ILE 50 HG23 ILE 50 6.586 12.828 -2.982 379 HD11 ILE 50 HD11 ILE 50 3.500 16.605 -1.790 380 HD12 ILE 50 HD12 ILE 50 5.026 16.009 -1.091 381 HD13 ILE 50 HD13 ILE 50 4.795 16.055 -2.864 382 H ASP 51 H ASP 51 5.564 10.708 -3.765 383 HA ASP 51 HA ASP 51 6.848 8.955 -1.714 384 HB2 ASP 51 HB2 ASP 51 6.304 8.488 -4.667 385 HB3 ASP 51 HB3 ASP 51 7.211 7.393 -3.621 386 H ALA 52 H ALA 52 7.436 11.227 -4.369 387 HA ALA 52 HA ALA 52 10.143 11.655 -3.418 388 HB1 ALA 52 HB1 ALA 52 10.558 9.650 -4.763 389 HB2 ALA 52 HB2 ALA 52 9.710 10.372 -6.143 390 HB3 ALA 52 HB3 ALA 52 11.242 11.075 -5.573 391 H ALA 53 H ALA 53 11.282 13.230 -5.149 392 HA ALA 53 HA ALA 53 9.299 14.866 -6.594 393 HB1 ALA 53 HB1 ALA 53 11.010 15.988 -4.341 394 HB2 ALA 53 HB2 ALA 53 9.958 16.928 -5.419 395 HB3 ALA 53 HB3 ALA 53 9.245 15.758 -4.289 396 H ILE 54 H ILE 54 10.285 16.527 -7.941 397 HA ILE 54 HA ILE 54 13.174 16.039 -8.542 398 HB ILE 54 HB ILE 54 10.898 16.848 -10.393 399 HG12 ILE 54 HG12 ILE 54 12.686 14.376 -10.362 400 HG13 ILE 54 HG13 ILE 54 11.017 14.431 -9.774 401 HG21 ILE 54 HG21 ILE 54 13.874 16.501 -10.966 402 HG22 ILE 54 HG22 ILE 54 12.618 16.859 -12.172 403 HG23 ILE 54 HG23 ILE 54 13.005 18.052 -10.927 404 HD11 ILE 54 HD11 ILE 54 11.938 14.914 -12.638 405 HD12 ILE 54 HD12 ILE 54 11.043 13.515 -12.019 406 HD13 ILE 54 HD13 ILE 54 10.266 15.115 -12.064 407 H LEU 55 H LEU 55 14.490 17.751 -8.262 408 HA LEU 55 HA LEU 55 13.181 20.327 -7.499 409 HB2 LEU 55 HB2 LEU 55 15.548 18.779 -6.409 410 HB3 LEU 55 HB3 LEU 55 15.428 20.516 -6.161 411 HG LEU 55 HG LEU 55 14.625 19.162 -4.241 412 HD11 LEU 55 HD11 LEU 55 12.616 20.510 -3.849 413 HD12 LEU 55 HD12 LEU 55 13.916 21.486 -4.576 414 HD13 LEU 55 HD13 LEU 55 12.544 20.937 -5.570 415 HD21 LEU 55 HD21 LEU 55 12.502 18.053 -4.278 416 HD22 LEU 55 HD22 LEU 55 12.189 18.541 -5.947 417 HD23 LEU 55 HD23 LEU 55 13.477 17.358 -5.592 418 H ASP 56 H ASP 56 13.749 22.130 -8.587 419 HA ASP 56 HA ASP 56 16.032 22.062 -10.426 420 HB2 ASP 56 HB2 ASP 56 13.962 23.264 -11.017 421 HB3 ASP 56 HB3 ASP 56 14.173 24.324 -9.611 422 H VAL 57 H VAL 57 17.980 23.243 -10.148 423 HA VAL 57 HA VAL 57 18.752 23.383 -7.352 424 HB VAL 57 HB VAL 57 21.006 23.736 -8.215 425 HG11 VAL 57 HG11 VAL 57 21.229 21.580 -9.365 426 HG12 VAL 57 HG12 VAL 57 20.037 21.454 -8.055 427 HG13 VAL 57 HG13 VAL 57 19.496 21.571 -9.741 428 HG21 VAL 57 HG21 VAL 57 20.442 25.158 -10.173 429 HG22 VAL 57 HG22 VAL 57 21.444 23.772 -10.634 430 HG23 VAL 57 HG23 VAL 57 19.696 23.752 -10.968 431 H ASN 58 H ASN 58 17.434 25.696 -9.477 432 HA ASN 58 HA ASN 58 18.652 27.877 -7.868 433 HB2 ASN 58 HB2 ASN 58 19.470 27.684 -10.272 434 HB3 ASN 58 HB3 ASN 58 17.827 28.106 -10.779 435 HD21 ASN 58 HD21 ASN 58 19.247 31.394 -10.824 436 HD22 ASN 58 HD22 ASN 58 18.873 29.993 -11.805 437 H LEU 59 H LEU 59 16.359 26.523 -7.051 438 HA LEU 59 HA LEU 59 13.905 27.568 -7.943 439 HB2 LEU 59 HB2 LEU 59 14.228 25.571 -6.516 440 HB3 LEU 59 HB3 LEU 59 14.721 26.608 -5.173 441 HG LEU 59 HG LEU 59 12.469 27.661 -5.160 442 HD11 LEU 59 HD11 LEU 59 10.655 26.558 -6.495 443 HD12 LEU 59 HD12 LEU 59 11.832 27.411 -7.517 444 HD13 LEU 59 HD13 LEU 59 11.899 25.641 -7.373 445 HD21 LEU 59 HD21 LEU 59 12.493 24.620 -5.070 446 HD22 LEU 59 HD22 LEU 59 12.910 25.719 -3.741 447 HD23 LEU 59 HD23 LEU 59 11.241 25.662 -4.344 448 H ARG 60 H ARG 60 12.480 29.106 -7.016 449 HA ARG 60 HA ARG 60 13.540 31.666 -6.565 450 HB2 ARG 60 HB2 ARG 60 11.256 31.053 -7.394 451 HB3 ARG 60 HB3 ARG 60 10.832 30.546 -5.752 452 HG2 ARG 60 HG2 ARG 60 11.200 32.860 -4.945 453 HG3 ARG 60 HG3 ARG 60 11.642 33.363 -6.591 454 HD2 ARG 60 HD2 ARG 60 9.400 32.625 -7.384 455 HD3 ARG 60 HD3 ARG 60 8.986 32.152 -5.725 456 HE ARG 60 HE ARG 60 9.794 34.963 -6.238 457 HH11 ARG 60 HH11 ARG 60 7.213 32.654 -5.479 458 HH12 ARG 60 HH12 ARG 60 6.086 33.898 -4.998 459 HH21 ARG 60 HH21 ARG 60 8.304 36.552 -5.604 460 HH22 ARG 60 HH22 ARG 60 6.703 36.100 -5.069 461 H GLY 61 H GLY 61 13.578 33.013 -4.687 462 HA2 GLY 61 HA2 GLY 61 13.593 33.500 -2.420 463 HA3 GLY 61 HA3 GLY 61 13.169 31.818 -2.044 464 H GLY 62 H GLY 62 15.761 31.831 -4.241 465 HA2 GLY 62 HA2 GLY 62 17.950 32.377 -2.457 466 HA3 GLY 62 HA3 GLY 62 17.634 30.636 -2.587 467 H GLU 63 H GLU 63 20.047 31.310 -3.461 468 HA GLU 63 HA GLU 63 19.787 31.248 -6.429 469 HB2 GLU 63 HB2 GLU 63 20.640 33.438 -5.638 470 HB3 GLU 63 HB3 GLU 63 21.970 32.607 -4.806 471 HG2 GLU 63 HG2 GLU 63 22.757 31.700 -6.973 472 HG3 GLU 63 HG3 GLU 63 21.405 32.484 -7.798 473 H LYS 64 H LYS 64 20.887 29.726 -7.459 474 HA LYS 64 HA LYS 64 21.786 27.726 -7.828 475 HB2 LYS 64 HB2 LYS 64 24.153 27.567 -7.468 476 HB3 LYS 64 HB3 LYS 64 23.712 29.208 -7.948 477 HG2 LYS 64 HG2 LYS 64 23.929 29.987 -5.632 478 HG3 LYS 64 HG3 LYS 64 24.237 28.324 -5.076 479 HD2 LYS 64 HD2 LYS 64 26.286 28.245 -6.463 480 HD3 LYS 64 HD3 LYS 64 25.967 29.896 -7.035 481 HE2 LYS 64 HE2 LYS 64 26.086 30.714 -4.696 482 HE3 LYS 64 HE3 LYS 64 26.421 29.065 -4.138 483 HZ1 LYS 64 HZ1 LYS 64 28.118 30.616 -5.976 484 HZ2 LYS 64 HZ2 LYS 64 28.429 30.349 -4.390 485 HZ3 LYS 64 HZ3 LYS 64 28.427 29.091 -5.452 486 H SER 65 H SER 65 20.399 27.985 -5.012 487 HA SER 65 HA SER 65 20.935 25.173 -4.324 488 HB2 SER 65 HB2 SER 65 21.212 27.458 -2.329 489 HB3 SER 65 HB3 SER 65 21.180 25.732 -1.914 490 HG SER 65 HG SER 65 23.306 26.552 -2.098 491 H THR 66 H THR 66 19.273 24.348 -2.796 492 HA THR 66 HA THR 66 16.912 26.070 -2.433 493 HB THR 66 HB THR 66 16.400 25.024 -4.527 494 HG1 THR 66 HG1 THR 66 14.549 23.927 -3.860 495 HG21 THR 66 HG21 THR 66 17.958 23.091 -4.434 496 HG22 THR 66 HG22 THR 66 16.948 22.340 -3.180 497 HG23 THR 66 HG23 THR 66 16.303 22.583 -4.817 498 HA PRO 67 HA PRO 67 17.140 23.816 1.405 499 HB2 PRO 67 HB2 PRO 67 15.094 24.977 2.734 500 HB3 PRO 67 HB3 PRO 67 16.533 25.941 2.243 501 HG2 PRO 67 HG2 PRO 67 13.878 25.689 0.782 502 HG3 PRO 67 HG3 PRO 67 14.728 27.200 1.253 503 HD2 PRO 67 HD2 PRO 67 14.989 26.067 -1.237 504 HD3 PRO 67 HD3 PRO 67 16.350 26.909 -0.432 505 H VAL 68 H VAL 68 14.615 23.585 -0.950 506 HA VAL 68 HA VAL 68 12.757 22.013 0.607 507 HB VAL 68 HB VAL 68 13.089 22.345 -2.401 508 HG11 VAL 68 HG11 VAL 68 11.717 20.369 -1.793 509 HG12 VAL 68 HG12 VAL 68 10.714 21.395 -0.740 510 HG13 VAL 68 HG13 VAL 68 10.721 21.652 -2.500 511 HG21 VAL 68 HG21 VAL 68 12.691 24.505 -1.279 512 HG22 VAL 68 HG22 VAL 68 11.248 23.994 -2.167 513 HG23 VAL 68 HG23 VAL 68 11.313 23.807 -0.399 514 H ALA 69 H ALA 69 15.592 21.283 -1.418 515 HA ALA 69 HA ALA 69 14.970 18.505 -1.801 516 HB1 ALA 69 HB1 ALA 69 17.364 18.341 -2.418 517 HB2 ALA 69 HB2 ALA 69 16.595 19.748 -3.183 518 HB3 ALA 69 HB3 ALA 69 17.646 19.967 -1.760 519 H GLU 70 H GLU 70 16.747 20.311 0.730 520 HA GLU 70 HA GLU 70 17.518 17.817 2.053 521 HB2 GLU 70 HB2 GLU 70 17.967 20.746 2.701 522 HB3 GLU 70 HB3 GLU 70 18.593 19.398 3.686 523 HG2 GLU 70 HG2 GLU 70 19.809 18.493 1.768 524 HG3 GLU 70 HG3 GLU 70 19.135 19.707 0.699 525 H ALA 71 H ALA 71 14.823 20.033 2.186 526 HA ALA 71 HA ALA 71 13.973 19.281 4.846 527 HB1 ALA 71 HB1 ALA 71 12.412 20.308 2.432 528 HB2 ALA 71 HB2 ALA 71 11.802 20.216 4.098 529 HB3 ALA 71 HB3 ALA 71 13.147 21.310 3.707 530 H LEU 72 H LEU 72 13.610 17.966 1.548 531 HA LEU 72 HA LEU 72 11.780 15.861 2.338 532 HB2 LEU 72 HB2 LEU 72 13.600 16.271 -0.069 533 HB3 LEU 72 HB3 LEU 72 12.472 14.914 0.088 534 HG LEU 72 HG LEU 72 11.633 17.850 0.148 535 HD11 LEU 72 HD11 LEU 72 10.813 17.423 -2.141 536 HD12 LEU 72 HD12 LEU 72 12.574 17.191 -2.040 537 HD13 LEU 72 HD13 LEU 72 11.495 15.779 -2.084 538 HD21 LEU 72 HD21 LEU 72 9.382 16.916 -0.228 539 HD22 LEU 72 HD22 LEU 72 10.034 15.271 -0.115 540 HD23 LEU 72 HD23 LEU 72 10.060 16.344 1.310 541 H ALA 73 H ALA 73 15.298 16.318 2.344 542 HA ALA 73 HA ALA 73 15.922 13.530 2.719 543 HB1 ALA 73 HB1 ALA 73 18.132 14.382 3.378 544 HB2 ALA 73 HB2 ALA 73 17.560 15.209 1.913 545 HB3 ALA 73 HB3 ALA 73 17.487 16.032 3.488 546 H ALA 74 H ALA 74 14.756 16.104 4.820 547 HA ALA 74 HA ALA 74 15.412 14.673 7.287 548 HB1 ALA 74 HB1 ALA 74 13.590 17.053 6.757 549 HB2 ALA 74 HB2 ALA 74 14.129 16.483 8.346 550 HB3 ALA 74 HB3 ALA 74 15.315 17.139 7.190 551 H ARG 75 H ARG 75 12.863 14.675 4.902 552 HA ARG 75 HA ARG 75 11.074 13.094 6.665 553 HB2 ARG 75 HB2 ARG 75 10.701 14.234 3.870 554 HB3 ARG 75 HB3 ARG 75 9.478 13.315 4.761 555 HG2 ARG 75 HG2 ARG 75 10.678 15.968 5.657 556 HG3 ARG 75 HG3 ARG 75 9.088 15.740 4.909 557 HD2 ARG 75 HD2 ARG 75 8.485 14.204 6.824 558 HD3 ARG 75 HD3 ARG 75 10.022 14.642 7.591 559 HE ARG 75 HE ARG 75 9.170 16.727 8.145 560 HH11 ARG 75 HH11 ARG 75 6.982 15.120 5.888 561 HH12 ARG 75 HH12 ARG 75 5.722 16.312 6.066 562 HH21 ARG 75 HH21 ARG 75 7.505 18.257 8.396 563 HH22 ARG 75 HH22 ARG 75 6.006 18.072 7.515 564 H ASP 76 H ASP 76 13.752 12.404 4.995 565 HA ASP 76 HA ASP 76 14.614 10.637 3.922 566 HB2 ASP 76 HB2 ASP 76 13.850 9.585 6.040 567 HB3 ASP 76 HB3 ASP 76 12.381 9.044 5.219 568 H ILE 77 H ILE 77 12.571 12.226 2.490 569 HA ILE 77 HA ILE 77 11.442 10.253 0.607 570 HB ILE 77 HB ILE 77 11.146 13.260 0.853 571 HG12 ILE 77 HG12 ILE 77 9.238 10.951 1.409 572 HG13 ILE 77 HG13 ILE 77 10.058 11.935 2.632 573 HG21 ILE 77 HG21 ILE 77 9.399 13.022 -0.896 574 HG22 ILE 77 HG22 ILE 77 10.976 12.520 -1.509 575 HG23 ILE 77 HG23 ILE 77 9.782 11.292 -1.038 576 HD11 ILE 77 HD11 ILE 77 7.968 12.915 0.645 577 HD12 ILE 77 HD12 ILE 77 7.785 12.728 2.394 578 HD13 ILE 77 HD13 ILE 77 8.894 13.962 1.755 579 HA PRO 78 HA PRO 78 15.122 10.742 -1.899 580 HB2 PRO 78 HB2 PRO 78 13.317 9.588 -4.003 581 HB3 PRO 78 HB3 PRO 78 14.970 9.078 -3.544 582 HG2 PRO 78 HG2 PRO 78 12.829 7.632 -2.724 583 HG3 PRO 78 HG3 PRO 78 14.166 7.988 -1.572 584 HD2 PRO 78 HD2 PRO 78 11.511 9.433 -1.871 585 HD3 PRO 78 HD3 PRO 78 12.318 8.835 -0.383 586 H PHE 79 H PHE 79 15.886 12.094 -3.576 587 HA PHE 79 HA PHE 79 13.964 13.517 -5.266 588 HB2 PHE 79 HB2 PHE 79 14.636 15.720 -4.617 589 HB3 PHE 79 HB3 PHE 79 14.079 14.871 -3.178 590 HD1 PHE 79 HD1 PHE 79 17.122 15.984 -5.047 591 HD2 PHE 79 HD2 PHE 79 15.531 14.628 -1.287 592 HE1 PHE 79 HE1 PHE 79 19.257 16.563 -3.931 593 HE2 PHE 79 HE2 PHE 79 17.662 15.264 -0.169 594 HZ PHE 79 HZ PHE 79 19.520 16.208 -1.484 595 H VAL 80 H VAL 80 15.033 14.752 -6.976 596 HA VAL 80 HA VAL 80 17.914 14.160 -7.366 597 HB VAL 80 HB VAL 80 17.492 13.642 -9.737 598 HG11 VAL 80 HG11 VAL 80 15.927 11.824 -7.856 599 HG12 VAL 80 HG12 VAL 80 16.623 11.369 -9.422 600 HG13 VAL 80 HG13 VAL 80 17.691 11.810 -8.070 601 HG21 VAL 80 HG21 VAL 80 15.313 14.794 -10.004 602 HG22 VAL 80 HG22 VAL 80 15.223 13.101 -10.515 603 HG23 VAL 80 HG23 VAL 80 14.549 13.594 -8.941 604 H PHE 81 H PHE 81 18.948 15.631 -8.889 605 HA PHE 81 HA PHE 81 17.706 18.312 -8.708 606 HB2 PHE 81 HB2 PHE 81 20.513 17.382 -9.363 607 HB3 PHE 81 HB3 PHE 81 20.007 19.067 -9.335 608 HD1 PHE 81 HD1 PHE 81 22.009 17.087 -7.630 609 HD2 PHE 81 HD2 PHE 81 18.402 19.301 -6.888 610 HE1 PHE 81 HE1 PHE 81 22.625 17.285 -5.228 611 HE2 PHE 81 HE2 PHE 81 19.005 19.477 -4.484 612 HZ PHE 81 HZ PHE 81 21.119 18.478 -3.658 613 H ALA 82 H ALA 82 17.846 19.806 -10.471 614 HA ALA 82 HA ALA 82 18.280 18.673 -13.172 615 HB1 ALA 82 HB1 ALA 82 16.269 19.841 -13.989 616 HB2 ALA 82 HB2 ALA 82 15.845 18.611 -12.787 617 HB3 ALA 82 HB3 ALA 82 15.867 20.329 -12.326 618 H THR 83 H THR 83 19.330 20.119 -14.529 619 HA THR 83 HA THR 83 19.997 22.780 -13.363 620 HB THR 83 HB THR 83 22.350 22.394 -13.920 621 HG1 THR 83 HG1 THR 83 22.990 20.307 -14.511 622 HG21 THR 83 HG21 THR 83 21.502 21.805 -11.645 623 HG22 THR 83 HG22 THR 83 21.263 20.127 -12.196 624 HG23 THR 83 HG23 THR 83 22.899 20.821 -12.141 625 H GLY 84 H GLY 84 20.990 24.269 -14.868 626 HA2 GLY 84 HA2 GLY 84 19.804 24.182 -17.537 627 HA3 GLY 84 HA3 GLY 84 20.794 25.473 -16.838 628 H GLY 85 H GLY 85 21.703 25.370 -19.121 629 HA2 GLY 85 HA2 GLY 85 23.374 23.114 -19.838 630 HA3 GLY 85 HA3 GLY 85 23.255 24.672 -20.676 631 H SER 86 H SER 86 24.230 23.793 -17.312 632 HA SER 86 HA SER 86 27.023 24.503 -17.844 633 HB2 SER 86 HB2 SER 86 26.034 26.706 -17.383 634 HB3 SER 86 HB3 SER 86 25.318 26.082 -15.879 635 HG SER 86 HG SER 86 27.319 27.163 -15.555 636 H ASP 87 H ASP 87 28.410 23.562 -16.366 637 HA ASP 87 HA ASP 87 27.156 21.800 -14.327 638 HB2 ASP 87 HB2 ASP 87 29.111 20.413 -14.537 639 HB3 ASP 87 HB3 ASP 87 28.475 20.730 -16.152 640 H ASP 88 H ASP 88 28.571 24.795 -14.524 641 HA ASP 88 HA ASP 88 30.176 24.496 -12.053 642 HB2 ASP 88 HB2 ASP 88 31.185 25.543 -14.067 643 HB3 ASP 88 HB3 ASP 88 29.951 26.808 -14.011 644 H SER 89 H SER 89 27.008 25.174 -12.866 645 HA SER 89 HA SER 89 26.602 27.388 -10.996 646 HB2 SER 89 HB2 SER 89 24.244 27.174 -11.702 647 HB3 SER 89 HB3 SER 89 25.348 27.323 -13.082 648 HG SER 89 HG SER 89 23.828 25.639 -13.371 649 H VAL 90 H VAL 90 27.316 24.276 -10.396 650 HA VAL 90 HA VAL 90 25.626 24.190 -7.964 651 HB VAL 90 HB VAL 90 25.254 21.765 -8.334 652 HG11 VAL 90 HG11 VAL 90 23.980 23.565 -10.429 653 HG12 VAL 90 HG12 VAL 90 23.350 22.019 -9.824 654 HG13 VAL 90 HG13 VAL 90 23.467 23.413 -8.731 655 HG21 VAL 90 HG21 VAL 90 26.984 21.362 -10.058 656 HG22 VAL 90 HG22 VAL 90 25.375 20.857 -10.616 657 HG23 VAL 90 HG23 VAL 90 26.077 22.378 -11.205 658 H ASP 91 H ASP 91 26.416 22.852 -6.297 659 HA ASP 91 HA ASP 91 29.324 22.753 -6.168 660 HB2 ASP 91 HB2 ASP 91 27.892 23.553 -4.315 661 HB3 ASP 91 HB3 ASP 91 27.177 21.936 -4.181 662 H SER 92 H SER 92 30.314 20.702 -5.067 663 HA SER 92 HA SER 92 30.136 18.595 -6.960 664 HB2 SER 92 HB2 SER 92 31.676 17.425 -5.436 665 HB3 SER 92 HB3 SER 92 32.156 19.121 -5.689 666 HG SER 92 HG SER 92 32.204 18.487 -3.478 667 H ARG 93 H ARG 93 28.171 19.207 -4.141 668 HA ARG 93 HA ARG 93 27.437 16.454 -3.641 669 HB2 ARG 93 HB2 ARG 93 27.192 18.337 -2.012 670 HB3 ARG 93 HB3 ARG 93 25.909 19.020 -3.033 671 HG2 ARG 93 HG2 ARG 93 24.557 16.974 -2.725 672 HG3 ARG 93 HG3 ARG 93 25.882 16.227 -1.803 673 HD2 ARG 93 HD2 ARG 93 24.218 17.069 -0.256 674 HD3 ARG 93 HD3 ARG 93 25.684 18.055 -0.109 675 HE ARG 93 HE ARG 93 24.058 19.362 -1.984 676 HH11 ARG 93 HH11 ARG 93 23.887 18.422 1.420 677 HH12 ARG 93 HH12 ARG 93 22.788 19.710 1.847 678 HH21 ARG 93 HH21 ARG 93 22.622 21.048 -1.398 679 HH22 ARG 93 HH22 ARG 93 22.073 21.183 0.257 680 H PHE 94 H PHE 94 26.369 18.954 -5.896 681 HA PHE 94 HA PHE 94 24.017 17.445 -6.756 682 HB2 PHE 94 HB2 PHE 94 25.492 19.755 -8.055 683 HB3 PHE 94 HB3 PHE 94 23.881 19.186 -8.482 684 HD1 PHE 94 HD1 PHE 94 25.806 20.625 -5.588 685 HD2 PHE 94 HD2 PHE 94 22.010 20.225 -7.560 686 HE1 PHE 94 HE1 PHE 94 24.809 22.239 -3.991 687 HE2 PHE 94 HE2 PHE 94 21.016 21.858 -5.974 688 HZ PHE 94 HZ PHE 94 22.417 22.872 -4.193 689 H ARG 95 H ARG 95 27.429 17.648 -7.498 690 HA ARG 95 HA ARG 95 27.163 16.287 -10.076 691 HB2 ARG 95 HB2 ARG 95 29.607 17.000 -8.411 692 HB3 ARG 95 HB3 ARG 95 29.619 16.406 -10.083 693 HG2 ARG 95 HG2 ARG 95 28.325 18.401 -10.802 694 HG3 ARG 95 HG3 ARG 95 28.282 18.986 -9.128 695 HD2 ARG 95 HD2 ARG 95 30.032 20.152 -10.332 696 HD3 ARG 95 HD3 ARG 95 30.759 19.113 -9.102 697 HE ARG 95 HE ARG 95 31.343 17.511 -10.863 698 HH11 ARG 95 HH11 ARG 95 30.426 20.765 -11.944 699 HH12 ARG 95 HH12 ARG 95 31.263 20.606 -13.466 700 HH21 ARG 95 HH21 ARG 95 32.419 17.356 -12.870 701 HH22 ARG 95 HH22 ARG 95 32.389 18.708 -13.977 702 H ASP 96 H ASP 96 27.162 15.350 -6.794 703 HA ASP 96 HA ASP 96 28.197 12.640 -7.411 704 HB2 ASP 96 HB2 ASP 96 29.053 13.811 -5.415 705 HB3 ASP 96 HB3 ASP 96 27.403 13.950 -4.785 706 H ARG 97 H ARG 97 25.221 14.426 -6.841 707 HA ARG 97 HA ARG 97 23.657 11.921 -6.656 708 HB2 ARG 97 HB2 ARG 97 22.908 14.857 -6.353 709 HB3 ARG 97 HB3 ARG 97 21.749 13.513 -6.278 710 HG2 ARG 97 HG2 ARG 97 23.055 12.517 -4.395 711 HG3 ARG 97 HG3 ARG 97 24.124 13.935 -4.421 712 HD2 ARG 97 HD2 ARG 97 22.438 14.252 -2.703 713 HD3 ARG 97 HD3 ARG 97 22.140 15.392 -4.023 714 HE ARG 97 HE ARG 97 20.164 14.257 -4.573 715 HH11 ARG 97 HH11 ARG 97 21.950 12.488 -2.086 716 HH12 ARG 97 HH12 ARG 97 20.618 11.413 -1.729 717 HH21 ARG 97 HH21 ARG 97 18.457 12.806 -4.110 718 HH22 ARG 97 HH22 ARG 97 18.657 11.602 -2.857 719 HA PRO 98 HA PRO 98 22.318 11.901 -10.833 720 HB2 PRO 98 HB2 PRO 98 19.469 12.032 -9.876 721 HB3 PRO 98 HB3 PRO 98 20.222 10.866 -11.016 722 HG2 PRO 98 HG2 PRO 98 19.714 10.127 -8.461 723 HG3 PRO 98 HG3 PRO 98 21.292 9.703 -9.215 724 HD2 PRO 98 HD2 PRO 98 20.661 12.022 -7.369 725 HD3 PRO 98 HD3 PRO 98 22.017 10.856 -7.281 726 H VAL 99 H VAL 99 21.664 13.271 -12.521 727 HA VAL 99 HA VAL 99 20.363 15.843 -11.844 728 HB VAL 99 HB VAL 99 22.043 17.056 -13.215 729 HG11 VAL 99 HG11 VAL 99 23.216 15.627 -10.803 730 HG12 VAL 99 HG12 VAL 99 23.788 17.153 -11.510 731 HG13 VAL 99 HG13 VAL 99 22.178 17.075 -10.756 732 HG21 VAL 99 HG21 VAL 99 22.957 15.127 -14.489 733 HG22 VAL 99 HG22 VAL 99 24.232 16.030 -13.649 734 HG23 VAL 99 HG23 VAL 99 23.667 14.480 -12.994 735 H LEU 100 H LEU 100 19.414 16.899 -13.632 736 HA LEU 100 HA LEU 100 19.319 15.389 -16.193 737 HB2 LEU 100 HB2 LEU 100 16.969 16.498 -14.608 738 HB3 LEU 100 HB3 LEU 100 16.864 15.935 -16.280 739 HG LEU 100 HG LEU 100 17.724 14.187 -13.932 740 HD11 LEU 100 HD11 LEU 100 15.083 14.358 -15.439 741 HD12 LEU 100 HD12 LEU 100 15.500 13.160 -14.190 742 HD13 LEU 100 HD13 LEU 100 15.368 14.880 -13.763 743 HD21 LEU 100 HD21 LEU 100 18.620 13.450 -16.140 744 HD22 LEU 100 HD22 LEU 100 17.377 12.343 -15.542 745 HD23 LEU 100 HD23 LEU 100 16.976 13.516 -16.820 746 H GLN 101 H GLN 101 18.929 16.672 -18.035 747 HA GLN 101 HA GLN 101 19.816 19.428 -17.826 748 HB2 GLN 101 HB2 GLN 101 18.695 17.782 -20.124 749 HB3 GLN 101 HB3 GLN 101 19.340 19.420 -20.299 750 HG2 GLN 101 HG2 GLN 101 20.931 17.056 -19.213 751 HG3 GLN 101 HG3 GLN 101 20.976 17.610 -20.886 752 HE21 GLN 101 HE21 GLN 101 23.888 19.141 -19.144 753 HE22 GLN 101 HE22 GLN 101 23.341 17.518 -19.510 754 H LYS 102 H LYS 102 18.533 21.305 -18.550 755 HA LYS 102 HA LYS 102 15.926 21.214 -17.345 756 HB2 LYS 102 HB2 LYS 102 17.520 23.197 -17.319 757 HB3 LYS 102 HB3 LYS 102 17.156 23.436 -19.026 758 HG2 LYS 102 HG2 LYS 102 15.680 24.913 -18.049 759 HG3 LYS 102 HG3 LYS 102 14.643 23.491 -18.210 760 HD2 LYS 102 HD2 LYS 102 16.113 24.435 -15.706 761 HD3 LYS 102 HD3 LYS 102 14.373 24.523 -16.005 762 HE2 LYS 102 HE2 LYS 102 14.322 22.010 -16.128 763 HE3 LYS 102 HE3 LYS 102 16.037 21.999 -15.666 764 HZ1 LYS 102 HZ1 LYS 102 13.830 23.117 -14.076 765 HZ2 LYS 102 HZ2 LYS 102 14.613 21.717 -13.765 766 HZ3 LYS 102 HZ3 LYS 102 15.404 23.157 -13.640 767 HA PRO 103 HA PRO 103 14.170 21.335 -21.764 768 HB2 PRO 103 HB2 PRO 103 15.709 20.741 -23.913 769 HB3 PRO 103 HB3 PRO 103 15.617 22.409 -23.250 770 HG2 PRO 103 HG2 PRO 103 17.729 20.305 -22.687 771 HG3 PRO 103 HG3 PRO 103 17.975 22.012 -23.185 772 HD2 PRO 103 HD2 PRO 103 18.090 21.225 -20.589 773 HD3 PRO 103 HD3 PRO 103 17.378 22.805 -21.044 774 H PHE 104 H PHE 104 13.111 19.505 -22.461 775 HA PHE 104 HA PHE 104 14.360 16.872 -21.797 776 HB2 PHE 104 HB2 PHE 104 11.573 17.985 -21.464 777 HB3 PHE 104 HB3 PHE 104 11.834 16.256 -21.631 778 HD1 PHE 104 HD1 PHE 104 14.648 17.507 -19.838 779 HD2 PHE 104 HD2 PHE 104 10.465 16.550 -19.394 780 HE1 PHE 104 HE1 PHE 104 14.950 17.263 -17.405 781 HE2 PHE 104 HE2 PHE 104 10.800 16.247 -16.973 782 HZ PHE 104 HZ PHE 104 13.036 16.634 -15.961 783 H THR 105 H THR 105 13.693 15.059 -23.050 784 HA THR 105 HA THR 105 12.474 15.603 -25.694 785 HB THR 105 HB THR 105 14.248 14.312 -26.814 786 HG1 THR 105 HG1 THR 105 16.166 13.918 -25.628 787 HG21 THR 105 HG21 THR 105 15.427 16.637 -25.239 788 HG22 THR 105 HG22 THR 105 16.020 15.986 -26.780 789 HG23 THR 105 HG23 THR 105 14.440 16.793 -26.714 790 H MET 106 H MET 106 11.896 13.517 -26.802 791 HA MET 106 HA MET 106 10.451 11.857 -24.982 792 HB2 MET 106 HB2 MET 106 11.194 11.521 -27.915 793 HB3 MET 106 HB3 MET 106 10.069 10.462 -27.051 794 HG2 MET 106 HG2 MET 106 9.738 13.473 -27.336 795 HG3 MET 106 HG3 MET 106 8.950 12.273 -28.365 796 HE1 MET 106 HE1 MET 106 6.013 13.742 -26.235 797 HE2 MET 106 HE2 MET 106 7.461 14.607 -26.802 798 HE3 MET 106 HE3 MET 106 6.642 13.443 -27.872 799 H ASP 107 H ASP 107 13.672 11.523 -26.492 800 HA ASP 107 HA ASP 107 13.909 8.739 -25.605 801 HB2 ASP 107 HB2 ASP 107 14.888 9.517 -27.729 802 HB3 ASP 107 HB3 ASP 107 15.911 10.661 -26.843 803 H GLY 108 H GLY 108 14.958 11.972 -24.507 804 HA2 GLY 108 HA2 GLY 108 16.931 10.943 -22.654 805 HA3 GLY 108 HA3 GLY 108 16.333 12.608 -22.785 806 H VAL 109 H VAL 109 13.465 11.776 -22.443 807 HA VAL 109 HA VAL 109 13.559 11.692 -19.504 808 HB VAL 109 HB VAL 109 11.249 12.062 -21.437 809 HG11 VAL 109 HG11 VAL 109 11.434 12.359 -18.403 810 HG12 VAL 109 HG12 VAL 109 10.069 12.904 -19.403 811 HG13 VAL 109 HG13 VAL 109 10.449 11.173 -19.294 812 HG21 VAL 109 HG21 VAL 109 12.916 13.919 -21.443 813 HG22 VAL 109 HG22 VAL 109 11.380 14.410 -20.692 814 HG23 VAL 109 HG23 VAL 109 12.787 14.029 -19.675 815 H ALA 110 H ALA 110 12.753 9.530 -22.212 816 HA ALA 110 HA ALA 110 11.241 7.669 -20.622 817 HB1 ALA 110 HB1 ALA 110 12.859 7.262 -23.174 818 HB2 ALA 110 HB2 ALA 110 11.662 6.128 -22.515 819 HB3 ALA 110 HB3 ALA 110 11.145 7.730 -23.081 820 H LYS 111 H LYS 111 14.713 8.169 -21.224 821 HA LYS 111 HA LYS 111 15.464 5.686 -19.869 822 HB2 LYS 111 HB2 LYS 111 16.761 6.633 -21.761 823 HB3 LYS 111 HB3 LYS 111 17.085 8.089 -20.814 824 HG2 LYS 111 HG2 LYS 111 19.013 6.565 -20.778 825 HG3 LYS 111 HG3 LYS 111 18.353 6.779 -19.156 826 HD2 LYS 111 HD2 LYS 111 18.944 4.430 -19.589 827 HD3 LYS 111 HD3 LYS 111 17.202 4.593 -19.317 828 HE2 LYS 111 HE2 LYS 111 16.808 4.567 -21.761 829 HE3 LYS 111 HE3 LYS 111 18.552 4.461 -22.046 830 HZ1 LYS 111 HZ1 LYS 111 16.920 2.455 -20.633 831 HZ2 LYS 111 HZ2 LYS 111 17.496 2.319 -22.167 832 HZ3 LYS 111 HZ3 LYS 111 18.541 2.351 -20.899 833 H ALA 112 H ALA 112 15.006 9.113 -19.045 834 HA ALA 112 HA ALA 112 16.426 8.899 -16.517 835 HB1 ALA 112 HB1 ALA 112 14.511 11.001 -17.609 836 HB2 ALA 112 HB2 ALA 112 15.528 11.175 -16.165 837 HB3 ALA 112 HB3 ALA 112 16.287 11.016 -17.763 838 H LEU 113 H LEU 113 13.057 8.521 -17.628 839 HA LEU 113 HA LEU 113 11.958 8.573 -14.948 840 HB2 LEU 113 HB2 LEU 113 10.770 9.211 -17.046 841 HB3 LEU 113 HB3 LEU 113 10.790 7.529 -17.564 842 HG LEU 113 HG LEU 113 8.646 8.443 -16.565 843 HD11 LEU 113 HD11 LEU 113 9.734 5.989 -15.140 844 HD12 LEU 113 HD12 LEU 113 8.040 6.412 -15.445 845 HD13 LEU 113 HD13 LEU 113 9.103 6.015 -16.806 846 HD21 LEU 113 HD21 LEU 113 9.712 9.675 -14.680 847 HD22 LEU 113 HD22 LEU 113 8.418 8.582 -14.160 848 HD23 LEU 113 HD23 LEU 113 10.119 8.113 -13.925 849 H ALA 114 H ALA 114 13.024 6.040 -17.276 850 HA ALA 114 HA ALA 114 12.158 3.843 -15.646 851 HB1 ALA 114 HB1 ALA 114 14.316 4.031 -17.788 852 HB2 ALA 114 HB2 ALA 114 13.597 2.530 -17.166 853 HB3 ALA 114 HB3 ALA 114 12.594 3.686 -18.072 854 H ALA 115 H ALA 115 15.026 5.923 -15.628 855 HA ALA 115 HA ALA 115 16.476 4.134 -13.806 856 HB1 ALA 115 HB1 ALA 115 17.101 6.926 -14.850 857 HB2 ALA 115 HB2 ALA 115 18.207 5.885 -13.926 858 HB3 ALA 115 HB3 ALA 115 17.668 5.391 -15.548 859 H LEU 116 H LEU 116 14.096 6.614 -13.545 860 HA LEU 116 HA LEU 116 14.937 7.401 -10.830 861 HB2 LEU 116 HB2 LEU 116 14.207 9.105 -12.368 862 HB3 LEU 116 HB3 LEU 116 12.673 8.285 -12.661 863 HG LEU 116 HG LEU 116 13.415 9.127 -9.847 864 HD11 LEU 116 HD11 LEU 116 12.204 10.901 -12.010 865 HD12 LEU 116 HD12 LEU 116 12.333 11.317 -10.289 866 HD13 LEU 116 HD13 LEU 116 13.806 11.105 -11.259 867 HD21 LEU 116 HD21 LEU 116 10.770 8.988 -11.383 868 HD22 LEU 116 HD22 LEU 116 11.316 7.795 -10.182 869 HD23 LEU 116 HD23 LEU 116 10.952 9.453 -9.682 870 H LEU 117 H LEU 117 12.469 5.426 -12.475 871 HA LEU 117 HA LEU 117 11.005 5.062 -9.961 872 HB2 LEU 117 HB2 LEU 117 9.923 5.461 -12.186 873 HB3 LEU 117 HB3 LEU 117 10.525 3.889 -12.724 874 HG LEU 117 HG LEU 117 9.187 2.765 -10.972 875 HD11 LEU 117 HD11 LEU 117 8.296 5.605 -10.271 876 HD12 LEU 117 HD12 LEU 117 7.499 4.121 -9.700 877 HD13 LEU 117 HD13 LEU 117 9.169 4.469 -9.217 878 HD21 LEU 117 HD21 LEU 117 6.959 3.285 -11.899 879 HD22 LEU 117 HD22 LEU 117 7.602 4.775 -12.626 880 HD23 LEU 117 HD23 LEU 117 8.191 3.192 -13.176 881 H VAL 118 H VAL 118 13.647 3.548 -11.517 882 HA VAL 118 HA VAL 118 13.308 1.145 -9.800 883 HB VAL 118 HB VAL 118 14.174 1.089 -12.718 884 HG11 VAL 118 HG11 VAL 118 13.779 -1.123 -10.655 885 HG12 VAL 118 HG12 VAL 118 14.161 -1.364 -12.376 886 HG13 VAL 118 HG13 VAL 118 15.337 -0.575 -11.309 887 HG21 VAL 118 HG21 VAL 118 11.731 1.377 -12.542 888 HG22 VAL 118 HG22 VAL 118 12.118 -0.276 -13.041 889 HG23 VAL 118 HG23 VAL 118 11.645 0.055 -11.357 Start of MODEL 4 1 H1 MET 1 H1 NME 1 -0.721 2.785 2.707 2 H2 MET 1 H2 NME 1 -0.429 1.229 3.153 3 H3 MET 1 H3 NME 1 -1.143 1.552 1.704 4 HA MET 1 HA NME 1 1.589 2.290 2.483 5 HB2 MET 1 HB2 NME 1 2.340 0.634 0.850 6 HB3 MET 1 HB3 NME 1 1.340 -0.130 2.099 7 HG2 MET 1 HG2 NME 1 -0.596 -0.103 0.567 8 HG3 MET 1 HG3 NME 1 0.396 0.676 -0.675 9 HE1 MET 1 HE1 NME 1 -1.349 -1.927 -1.142 10 HE2 MET 1 HE2 NME 1 -0.358 -1.151 -2.402 11 HE3 MET 1 HE3 NME 1 -0.228 -2.903 -2.117 12 H SER 2 H SER 2 2.901 2.861 0.467 13 HA SER 2 HA SER 2 1.328 4.207 -1.634 14 HB2 SER 2 HB2 SER 2 1.601 5.859 0.221 15 HB3 SER 2 HB3 SER 2 3.366 5.669 0.089 16 HG SER 2 HG SER 2 2.579 7.439 -1.128 17 H ALA 3 H ALA 3 2.854 5.077 -3.363 18 HA ALA 3 HA ALA 3 5.465 3.706 -3.469 19 HB1 ALA 3 HB1 ALA 3 3.273 3.310 -5.542 20 HB2 ALA 3 HB2 ALA 3 4.932 2.685 -5.638 21 HB3 ALA 3 HB3 ALA 3 3.838 2.077 -4.380 22 H LEU 4 H LEU 4 6.472 4.220 -5.708 23 HA LEU 4 HA LEU 4 6.654 7.092 -5.844 24 HB2 LEU 4 HB2 LEU 4 8.007 4.806 -7.316 25 HB3 LEU 4 HB3 LEU 4 8.413 6.505 -7.608 26 HG LEU 4 HG LEU 4 8.559 5.228 -4.843 27 HD11 LEU 4 HD11 LEU 4 10.977 5.159 -5.185 28 HD12 LEU 4 HD12 LEU 4 10.167 4.163 -6.423 29 HD13 LEU 4 HD13 LEU 4 10.783 5.790 -6.835 30 HD21 LEU 4 HD21 LEU 4 8.356 7.716 -4.926 31 HD22 LEU 4 HD22 LEU 4 9.974 7.217 -4.398 32 HD23 LEU 4 HD23 LEU 4 9.728 7.760 -6.073 33 H THR 5 H THR 5 4.019 6.099 -6.679 34 HA THR 5 HA THR 5 3.992 6.608 -9.582 35 HB THR 5 HB THR 5 1.394 6.470 -8.896 36 HG1 THR 5 HG1 THR 5 1.869 6.198 -6.677 37 HG21 THR 5 HG21 THR 5 2.532 5.046 -10.507 38 HG22 THR 5 HG22 THR 5 3.298 4.118 -9.187 39 HG23 THR 5 HG23 THR 5 1.533 4.058 -9.426 40 H GLN 6 H GLN 6 3.888 8.410 -6.668 41 HA GLN 6 HA GLN 6 2.508 10.635 -8.075 42 HB2 GLN 6 HB2 GLN 6 2.741 9.955 -5.103 43 HB3 GLN 6 HB3 GLN 6 2.153 11.481 -5.726 44 HG2 GLN 6 HG2 GLN 6 0.160 10.263 -5.456 45 HG3 GLN 6 HG3 GLN 6 0.522 10.024 -7.177 46 HE21 GLN 6 HE21 GLN 6 -0.410 6.687 -6.177 47 HE22 GLN 6 HE22 GLN 6 -1.094 8.218 -6.687 48 H ILE 7 H ILE 7 3.789 12.163 -8.784 49 HA ILE 7 HA ILE 7 6.338 12.708 -7.334 50 HB ILE 7 HB ILE 7 5.823 13.015 -10.309 51 HG12 ILE 7 HG12 ILE 7 5.653 10.648 -9.826 52 HG13 ILE 7 HG13 ILE 7 7.174 10.998 -10.653 53 HG21 ILE 7 HG21 ILE 7 8.305 13.115 -10.398 54 HG22 ILE 7 HG22 ILE 7 7.591 14.436 -9.457 55 HG23 ILE 7 HG23 ILE 7 8.353 13.064 -8.619 56 HD11 ILE 7 HD11 ILE 7 7.473 9.369 -8.820 57 HD12 ILE 7 HD12 ILE 7 8.393 10.858 -8.516 58 HD13 ILE 7 HD13 ILE 7 6.863 10.553 -7.652 59 H LEU 8 H LEU 8 6.575 14.758 -6.621 60 HA LEU 8 HA LEU 8 4.583 16.777 -7.391 61 HB2 LEU 8 HB2 LEU 8 5.664 16.173 -5.023 62 HB3 LEU 8 HB3 LEU 8 6.893 17.319 -5.543 63 HG LEU 8 HG LEU 8 3.910 17.816 -5.183 64 HD11 LEU 8 HD11 LEU 8 5.257 17.686 -3.126 65 HD12 LEU 8 HD12 LEU 8 6.389 18.897 -3.770 66 HD13 LEU 8 HD13 LEU 8 4.706 19.353 -3.414 67 HD21 LEU 8 HD21 LEU 8 6.056 19.708 -6.216 68 HD22 LEU 8 HD22 LEU 8 4.520 19.242 -7.016 69 HD23 LEU 8 HD23 LEU 8 4.497 20.242 -5.564 70 H ILE 9 H ILE 9 5.055 18.651 -8.549 71 HA ILE 9 HA ILE 9 7.637 18.642 -10.030 72 HB ILE 9 HB ILE 9 4.901 19.809 -10.621 73 HG12 ILE 9 HG12 ILE 9 6.388 17.555 -12.026 74 HG13 ILE 9 HG13 ILE 9 5.154 17.304 -10.777 75 HG21 ILE 9 HG21 ILE 9 7.411 19.809 -12.352 76 HG22 ILE 9 HG22 ILE 9 5.803 20.384 -12.852 77 HG23 ILE 9 HG23 ILE 9 6.681 21.236 -11.579 78 HD11 ILE 9 HD11 ILE 9 4.711 18.681 -13.457 79 HD12 ILE 9 HD12 ILE 9 4.118 17.083 -12.958 80 HD13 ILE 9 HD13 ILE 9 3.505 18.544 -12.158 81 H VAL 10 H VAL 10 9.073 20.260 -9.638 82 HA VAL 10 HA VAL 10 8.056 22.766 -8.385 83 HB VAL 10 HB VAL 10 10.645 21.357 -7.641 84 HG11 VAL 10 HG11 VAL 10 9.161 23.739 -6.454 85 HG12 VAL 10 HG12 VAL 10 10.624 22.994 -5.780 86 HG13 VAL 10 HG13 VAL 10 10.689 23.799 -7.361 87 HG21 VAL 10 HG21 VAL 10 9.547 20.867 -5.473 88 HG22 VAL 10 HG22 VAL 10 8.008 21.479 -6.123 89 HG23 VAL 10 HG23 VAL 10 8.753 20.019 -6.811 90 H GLU 11 H GLU 11 8.675 24.550 -9.426 91 HA GLU 11 HA GLU 11 11.144 24.670 -10.981 92 HB2 GLU 11 HB2 GLU 11 9.838 25.338 -13.070 93 HB3 GLU 11 HB3 GLU 11 9.902 23.629 -12.671 94 HG2 GLU 11 HG2 GLU 11 7.670 24.206 -13.395 95 HG3 GLU 11 HG3 GLU 11 7.645 23.692 -11.715 96 H ASP 12 H ASP 12 11.447 26.831 -11.991 97 HA ASP 12 HA ASP 12 9.826 28.929 -10.645 98 HB2 ASP 12 HB2 ASP 12 12.086 28.668 -9.621 99 HB3 ASP 12 HB3 ASP 12 12.809 29.055 -11.192 100 H GLU 13 H GLU 13 9.845 27.517 -13.378 101 HA GLU 13 HA GLU 13 9.663 30.002 -14.988 102 HB2 GLU 13 HB2 GLU 13 11.040 27.419 -15.816 103 HB3 GLU 13 HB3 GLU 13 10.657 28.760 -16.910 104 HG2 GLU 13 HG2 GLU 13 12.089 30.267 -15.572 105 HG3 GLU 13 HG3 GLU 13 12.457 28.939 -14.458 106 HA PRO 14 HA PRO 14 5.726 28.112 -15.375 107 HB2 PRO 14 HB2 PRO 14 4.530 29.782 -17.177 108 HB3 PRO 14 HB3 PRO 14 4.980 30.309 -15.521 109 HG2 PRO 14 HG2 PRO 14 6.585 30.684 -18.071 110 HG3 PRO 14 HG3 PRO 14 6.129 31.932 -16.862 111 HD2 PRO 14 HD2 PRO 14 8.548 30.709 -16.776 112 HD3 PRO 14 HD3 PRO 14 7.660 31.059 -15.266 113 H LEU 15 H LEU 15 7.896 28.347 -18.135 114 HA LEU 15 HA LEU 15 6.124 26.804 -19.883 115 HB2 LEU 15 HB2 LEU 15 9.074 27.526 -20.140 116 HB3 LEU 15 HB3 LEU 15 8.057 26.837 -21.417 117 HG LEU 15 HG LEU 15 7.656 29.554 -20.091 118 HD11 LEU 15 HD11 LEU 15 8.599 28.771 -22.881 119 HD12 LEU 15 HD12 LEU 15 8.327 30.429 -22.293 120 HD13 LEU 15 HD13 LEU 15 9.618 29.438 -21.582 121 HD21 LEU 15 HD21 LEU 15 5.498 28.584 -20.814 122 HD22 LEU 15 HD22 LEU 15 5.979 29.906 -21.896 123 HD23 LEU 15 HD23 LEU 15 6.189 28.222 -22.415 124 H ILE 16 H ILE 16 8.607 26.176 -17.489 125 HA ILE 16 HA ILE 16 9.107 23.449 -18.415 126 HB ILE 16 HB ILE 16 9.991 25.147 -16.068 127 HG12 ILE 16 HG12 ILE 16 12.230 24.730 -16.981 128 HG13 ILE 16 HG13 ILE 16 11.568 23.655 -18.216 129 HG21 ILE 16 HG21 ILE 16 10.601 22.194 -16.500 130 HG22 ILE 16 HG22 ILE 16 11.404 23.252 -15.323 131 HG23 ILE 16 HG23 ILE 16 9.683 22.888 -15.141 132 HD11 ILE 16 HD11 ILE 16 12.163 25.930 -19.059 133 HD12 ILE 16 HD12 ILE 16 10.464 25.514 -19.331 134 HD13 ILE 16 HD13 ILE 16 10.905 26.622 -18.007 135 H ALA 17 H ALA 17 6.873 25.120 -16.250 136 HA ALA 17 HA ALA 17 6.196 22.868 -14.622 137 HB1 ALA 17 HB1 ALA 17 4.532 25.300 -15.398 138 HB2 ALA 17 HB2 ALA 17 4.233 24.210 -14.025 139 HB3 ALA 17 HB3 ALA 17 5.692 25.226 -14.049 140 H MET 18 H MET 18 4.816 24.158 -17.696 141 HA MET 18 HA MET 18 2.765 22.100 -17.740 142 HB2 MET 18 HB2 MET 18 2.152 23.040 -19.880 143 HB3 MET 18 HB3 MET 18 2.434 24.348 -18.722 144 HG2 MET 18 HG2 MET 18 4.704 24.684 -19.665 145 HG3 MET 18 HG3 MET 18 4.420 23.365 -20.808 146 HE1 MET 18 HE1 MET 18 5.496 26.054 -21.811 147 HE2 MET 18 HE2 MET 18 5.036 24.719 -22.896 148 HE3 MET 18 HE3 MET 18 4.464 26.367 -23.228 149 H MET 19 H MET 19 6.082 22.392 -18.899 150 HA MET 19 HA MET 19 5.884 20.212 -20.791 151 HB2 MET 19 HB2 MET 19 7.568 22.030 -20.913 152 HB3 MET 19 HB3 MET 19 8.288 21.443 -19.399 153 HG2 MET 19 HG2 MET 19 8.776 19.272 -20.464 154 HG3 MET 19 HG3 MET 19 7.992 19.810 -21.953 155 HE1 MET 19 HE1 MET 19 10.369 21.855 -19.539 156 HE2 MET 19 HE2 MET 19 11.033 20.199 -19.529 157 HE3 MET 19 HE3 MET 19 11.948 21.531 -20.276 158 H LEU 20 H LEU 20 6.611 20.502 -17.301 159 HA LEU 20 HA LEU 20 7.603 17.800 -17.064 160 HB2 LEU 20 HB2 LEU 20 6.983 20.102 -15.310 161 HB3 LEU 20 HB3 LEU 20 6.595 18.551 -14.572 162 HG LEU 20 HG LEU 20 8.899 19.361 -14.073 163 HD11 LEU 20 HD11 LEU 20 8.736 16.745 -15.616 164 HD12 LEU 20 HD12 LEU 20 9.960 17.190 -14.396 165 HD13 LEU 20 HD13 LEU 20 8.262 16.990 -13.921 166 HD21 LEU 20 HD21 LEU 20 9.375 20.356 -16.311 167 HD22 LEU 20 HD22 LEU 20 10.641 19.247 -15.753 168 HD23 LEU 20 HD23 LEU 20 9.482 18.714 -16.992 169 H GLU 21 H GLU 21 4.369 19.313 -16.857 170 HA GLU 21 HA GLU 21 3.138 16.847 -15.929 171 HB2 GLU 21 HB2 GLU 21 1.944 19.347 -17.193 172 HB3 GLU 21 HB3 GLU 21 1.016 18.019 -16.473 173 HG2 GLU 21 HG2 GLU 21 2.219 18.416 -14.302 174 HG3 GLU 21 HG3 GLU 21 3.000 19.824 -15.027 175 H ASP 22 H ASP 22 4.171 18.094 -19.031 176 HA ASP 22 HA ASP 22 2.338 16.445 -20.576 177 HB2 ASP 22 HB2 ASP 22 3.194 18.617 -21.378 178 HB3 ASP 22 HB3 ASP 22 4.845 17.967 -21.372 179 H PHE 23 H PHE 23 5.798 16.189 -19.519 180 HA PHE 23 HA PHE 23 6.126 13.740 -21.060 181 HB2 PHE 23 HB2 PHE 23 7.816 15.263 -19.079 182 HB3 PHE 23 HB3 PHE 23 8.250 13.627 -19.578 183 HD1 PHE 23 HD1 PHE 23 8.338 13.128 -22.114 184 HD2 PHE 23 HD2 PHE 23 8.541 17.079 -20.434 185 HE1 PHE 23 HE1 PHE 23 9.377 13.964 -24.207 186 HE2 PHE 23 HE2 PHE 23 9.559 17.917 -22.539 187 HZ PHE 23 HZ PHE 23 9.984 16.358 -24.421 188 H LEU 24 H LEU 24 4.967 14.524 -17.805 189 HA LEU 24 HA LEU 24 5.235 11.756 -16.902 190 HB2 LEU 24 HB2 LEU 24 3.686 14.159 -15.872 191 HB3 LEU 24 HB3 LEU 24 3.670 12.580 -15.073 192 HG LEU 24 HG LEU 24 6.194 14.203 -15.615 193 HD11 LEU 24 HD11 LEU 24 4.605 13.787 -13.045 194 HD12 LEU 24 HD12 LEU 24 6.145 14.665 -13.195 195 HD13 LEU 24 HD13 LEU 24 4.682 15.292 -13.994 196 HD21 LEU 24 HD21 LEU 24 7.220 12.636 -13.992 197 HD22 LEU 24 HD22 LEU 24 5.697 11.719 -13.918 198 HD23 LEU 24 HD23 LEU 24 6.639 11.782 -15.432 199 H GLU 25 H GLU 25 3.010 13.525 -18.936 200 HA GLU 25 HA GLU 25 0.869 11.570 -18.600 201 HB2 GLU 25 HB2 GLU 25 0.513 13.974 -19.207 202 HB3 GLU 25 HB3 GLU 25 1.312 13.670 -20.755 203 HG2 GLU 25 HG2 GLU 25 -1.105 13.596 -21.040 204 HG3 GLU 25 HG3 GLU 25 -0.436 11.982 -21.307 205 H VAL 26 H VAL 26 3.726 12.016 -20.654 206 HA VAL 26 HA VAL 26 2.957 9.963 -22.574 207 HB VAL 26 HB VAL 26 5.567 11.416 -21.977 208 HG11 VAL 26 HG11 VAL 26 4.893 9.504 -24.254 209 HG12 VAL 26 HG12 VAL 26 6.325 10.558 -24.181 210 HG13 VAL 26 HG13 VAL 26 6.129 9.261 -22.995 211 HG21 VAL 26 HG21 VAL 26 3.567 11.631 -24.273 212 HG22 VAL 26 HG22 VAL 26 3.706 12.784 -22.931 213 HG23 VAL 26 HG23 VAL 26 5.048 12.597 -24.077 214 H LEU 27 H LEU 27 4.499 10.057 -19.427 215 HA LEU 27 HA LEU 27 5.472 7.285 -19.710 216 HB2 LEU 27 HB2 LEU 27 5.702 9.342 -17.485 217 HB3 LEU 27 HB3 LEU 27 6.352 7.702 -17.391 218 HG LEU 27 HG LEU 27 7.167 9.769 -19.480 219 HD11 LEU 27 HD11 LEU 27 8.598 8.728 -16.997 220 HD12 LEU 27 HD12 LEU 27 9.272 9.860 -18.193 221 HD13 LEU 27 HD13 LEU 27 7.888 10.348 -17.185 222 HD21 LEU 27 HD21 LEU 27 7.437 7.476 -20.316 223 HD22 LEU 27 HD22 LEU 27 9.018 8.163 -19.920 224 HD23 LEU 27 HD23 LEU 27 8.261 7.006 -18.804 225 H ASP 28 H ASP 28 2.493 8.436 -19.365 226 HA ASP 28 HA ASP 28 0.603 7.865 -18.281 227 HB2 ASP 28 HB2 ASP 28 1.160 5.799 -19.545 228 HB3 ASP 28 HB3 ASP 28 1.916 5.137 -18.087 229 H LYS 29 H LYS 29 2.642 9.042 -16.665 230 HA LYS 29 HA LYS 29 2.608 7.712 -14.055 231 HB2 LYS 29 HB2 LYS 29 4.313 9.465 -15.472 232 HB3 LYS 29 HB3 LYS 29 3.654 10.449 -14.162 233 HG2 LYS 29 HG2 LYS 29 5.026 7.751 -13.843 234 HG3 LYS 29 HG3 LYS 29 5.767 9.330 -13.539 235 HD2 LYS 29 HD2 LYS 29 3.969 9.781 -11.828 236 HD3 LYS 29 HD3 LYS 29 3.456 8.085 -12.012 237 HE2 LYS 29 HE2 LYS 29 6.226 9.052 -11.203 238 HE3 LYS 29 HE3 LYS 29 5.001 8.389 -10.114 239 HZ1 LYS 29 HZ1 LYS 29 6.345 6.970 -12.325 240 HZ2 LYS 29 HZ2 LYS 29 6.540 6.700 -10.714 241 HZ3 LYS 29 HZ3 LYS 29 5.116 6.329 -11.432 242 H THR 30 H THR 30 1.904 8.908 -12.091 243 HA THR 30 HA THR 30 -0.500 10.568 -12.671 244 HB THR 30 HB THR 30 0.201 8.879 -10.246 245 HG1 THR 30 HG1 THR 30 -0.405 7.712 -12.096 246 HG21 THR 30 HG21 THR 30 -2.290 10.496 -10.952 247 HG22 THR 30 HG22 THR 30 -2.150 9.355 -9.588 248 HG23 THR 30 HG23 THR 30 -1.169 10.834 -9.614 249 HA PRO 31 HA PRO 31 2.253 13.702 -10.787 250 HB2 PRO 31 HB2 PRO 31 1.062 15.894 -11.892 251 HB3 PRO 31 HB3 PRO 31 2.194 14.860 -12.825 252 HG2 PRO 31 HG2 PRO 31 -0.839 14.741 -12.795 253 HG3 PRO 31 HG3 PRO 31 0.253 14.793 -14.217 254 HD2 PRO 31 HD2 PRO 31 -0.754 12.459 -13.255 255 HD3 PRO 31 HD3 PRO 31 0.919 12.546 -13.897 256 H VAL 32 H VAL 32 1.706 15.376 -9.158 257 HA VAL 32 HA VAL 32 -1.049 14.995 -8.067 258 HB VAL 32 HB VAL 32 -0.090 14.902 -5.811 259 HG11 VAL 32 HG11 VAL 32 1.244 12.791 -7.541 260 HG12 VAL 32 HG12 VAL 32 0.599 12.640 -5.887 261 HG13 VAL 32 HG13 VAL 32 -0.516 12.829 -7.244 262 HG21 VAL 32 HG21 VAL 32 2.031 16.096 -6.158 263 HG22 VAL 32 HG22 VAL 32 2.366 14.456 -5.557 264 HG23 VAL 32 HG23 VAL 32 2.588 14.826 -7.271 265 H GLY 33 H GLY 33 1.362 17.263 -9.013 266 HA2 GLY 33 HA2 GLY 33 -0.268 19.464 -8.751 267 HA3 GLY 33 HA3 GLY 33 0.528 19.362 -7.173 268 H THR 34 H THR 34 0.922 21.587 -8.554 269 HA THR 34 HA THR 34 3.797 21.413 -9.278 270 HB THR 34 HB THR 34 3.419 23.216 -10.952 271 HG1 THR 34 HG1 THR 34 1.271 23.612 -11.577 272 HG21 THR 34 HG21 THR 34 3.491 20.887 -11.749 273 HG22 THR 34 HG22 THR 34 1.741 20.722 -11.476 274 HG23 THR 34 HG23 THR 34 2.353 21.853 -12.706 275 H VAL 35 H VAL 35 5.041 23.078 -8.447 276 HA VAL 35 HA VAL 35 3.660 25.306 -7.073 277 HB VAL 35 HB VAL 35 5.142 25.018 -5.091 278 HG11 VAL 35 HG11 VAL 35 2.785 24.229 -5.076 279 HG12 VAL 35 HG12 VAL 35 3.331 22.623 -5.625 280 HG13 VAL 35 HG13 VAL 35 3.833 23.235 -4.042 281 HG21 VAL 35 HG21 VAL 35 6.885 23.578 -6.097 282 HG22 VAL 35 HG22 VAL 35 6.166 22.821 -4.661 283 HG23 VAL 35 HG23 VAL 35 5.696 22.264 -6.278 284 H ASP 36 H ASP 36 4.781 27.216 -7.086 285 HA ASP 36 HA ASP 36 7.040 27.226 -8.961 286 HB2 ASP 36 HB2 ASP 36 6.567 29.543 -9.291 287 HB3 ASP 36 HB3 ASP 36 5.035 28.666 -9.343 288 H THR 37 H THR 37 6.825 26.912 -5.705 289 HA THR 37 HA THR 37 9.497 28.134 -5.330 290 HB THR 37 HB THR 37 8.842 28.984 -3.115 291 HG1 THR 37 HG1 THR 37 6.199 28.424 -3.950 292 HG21 THR 37 HG21 THR 37 7.068 30.123 -5.314 293 HG22 THR 37 HG22 THR 37 7.584 30.952 -3.832 294 HG23 THR 37 HG23 THR 37 8.784 30.521 -5.066 295 H VAL 38 H VAL 38 10.681 27.188 -3.530 296 HA VAL 38 HA VAL 38 10.125 24.349 -3.288 297 HB VAL 38 HB VAL 38 12.180 24.327 -1.923 298 HG11 VAL 38 HG11 VAL 38 12.404 25.941 -4.500 299 HG12 VAL 38 HG12 VAL 38 13.707 24.996 -3.745 300 HG13 VAL 38 HG13 VAL 38 12.272 24.169 -4.385 301 HG21 VAL 38 HG21 VAL 38 13.524 26.390 -1.701 302 HG22 VAL 38 HG22 VAL 38 12.213 27.343 -2.418 303 HG23 VAL 38 HG23 VAL 38 11.980 26.542 -0.843 304 H ALA 39 H ALA 39 9.380 27.206 -1.395 305 HA ALA 39 HA ALA 39 9.014 25.828 1.117 306 HB1 ALA 39 HB1 ALA 39 9.382 28.264 0.934 307 HB2 ALA 39 HB2 ALA 39 7.849 28.439 0.053 308 HB3 ALA 39 HB3 ALA 39 7.844 27.908 1.755 309 H GLY 40 H GLY 40 7.071 26.291 -1.791 310 HA2 GLY 40 HA2 GLY 40 4.579 25.402 -0.562 311 HA3 GLY 40 HA3 GLY 40 4.897 25.663 -2.289 312 H ALA 41 H ALA 41 7.439 23.872 -1.900 313 HA ALA 41 HA ALA 41 6.096 21.412 -2.683 314 HB1 ALA 41 HB1 ALA 41 9.040 22.017 -2.214 315 HB2 ALA 41 HB2 ALA 41 8.381 20.601 -3.061 316 HB3 ALA 41 HB3 ALA 41 8.182 22.222 -3.760 317 H LEU 42 H LEU 42 7.882 22.602 0.190 318 HA LEU 42 HA LEU 42 7.732 19.985 1.485 319 HB2 LEU 42 HB2 LEU 42 8.702 22.735 2.257 320 HB3 LEU 42 HB3 LEU 42 8.417 21.521 3.507 321 HG LEU 42 HG LEU 42 10.770 21.612 2.785 322 HD11 LEU 42 HD11 LEU 42 9.413 18.981 2.070 323 HD12 LEU 42 HD12 LEU 42 11.104 19.213 2.567 324 HD13 LEU 42 HD13 LEU 42 9.799 19.534 3.719 325 HD21 LEU 42 HD21 LEU 42 10.420 22.130 0.380 326 HD22 LEU 42 HD22 LEU 42 11.467 20.719 0.627 327 HD23 LEU 42 HD23 LEU 42 9.777 20.485 0.133 328 H ALA 43 H ALA 43 5.789 22.962 1.383 329 HA ALA 43 HA ALA 43 4.210 22.240 3.701 330 HB1 ALA 43 HB1 ALA 43 4.476 24.567 2.927 331 HB2 ALA 43 HB2 ALA 43 3.643 24.161 1.407 332 HB3 ALA 43 HB3 ALA 43 2.763 24.092 2.952 333 H ARG 44 H ARG 44 4.140 21.408 0.286 334 HA ARG 44 HA ARG 44 1.384 20.406 0.430 335 HB2 ARG 44 HB2 ARG 44 2.295 21.591 -1.563 336 HB3 ARG 44 HB3 ARG 44 3.430 20.249 -1.812 337 HG2 ARG 44 HG2 ARG 44 1.517 18.695 -2.097 338 HG3 ARG 44 HG3 ARG 44 0.383 20.027 -1.766 339 HD2 ARG 44 HD2 ARG 44 1.317 21.252 -3.742 340 HD3 ARG 44 HD3 ARG 44 2.348 19.857 -4.085 341 HE ARG 44 HE ARG 44 0.494 18.649 -4.852 342 HH11 ARG 44 HH11 ARG 44 -0.539 21.715 -3.412 343 HH12 ARG 44 HH12 ARG 44 -2.158 21.602 -4.060 344 HH21 ARG 44 HH21 ARG 44 -1.622 18.554 -5.707 345 HH22 ARG 44 HH22 ARG 44 -2.763 19.829 -5.353 346 H VAL 45 H VAL 45 4.668 19.125 0.768 347 HA VAL 45 HA VAL 45 3.768 16.399 0.226 348 HB VAL 45 HB VAL 45 6.055 17.360 -0.341 349 HG11 VAL 45 HG11 VAL 45 6.588 16.729 2.596 350 HG12 VAL 45 HG12 VAL 45 7.776 17.246 1.391 351 HG13 VAL 45 HG13 VAL 45 6.498 18.370 1.905 352 HG21 VAL 45 HG21 VAL 45 5.504 14.971 -0.477 353 HG22 VAL 45 HG22 VAL 45 7.178 15.231 0.051 354 HG23 VAL 45 HG23 VAL 45 5.936 14.762 1.237 355 H GLU 46 H GLU 46 4.052 18.468 3.055 356 HA GLU 46 HA GLU 46 4.069 16.322 4.988 357 HB2 GLU 46 HB2 GLU 46 3.311 19.259 5.118 358 HB3 GLU 46 HB3 GLU 46 3.208 18.177 6.517 359 HG2 GLU 46 HG2 GLU 46 5.593 17.592 6.264 360 HG3 GLU 46 HG3 GLU 46 5.734 18.709 4.903 361 H ASP 47 H ASP 47 1.647 17.505 2.839 362 HA ASP 47 HA ASP 47 -0.622 16.745 4.497 363 HB2 ASP 47 HB2 ASP 47 -0.688 18.571 2.810 364 HB3 ASP 47 HB3 ASP 47 -0.440 17.377 1.528 365 H GLY 48 H GLY 48 1.694 15.051 2.641 366 HA2 GLY 48 HA2 GLY 48 1.874 12.770 2.281 367 HA3 GLY 48 HA3 GLY 48 0.236 12.538 2.900 368 H GLY 49 H GLY 49 0.453 10.973 0.938 369 HA2 GLY 49 HA2 GLY 49 -0.604 10.423 -1.033 370 HA3 GLY 49 HA3 GLY 49 -1.095 12.113 -1.249 371 H ILE 50 H ILE 50 2.264 11.789 -0.613 372 HA ILE 50 HA ILE 50 2.966 11.726 -3.505 373 HB ILE 50 HB ILE 50 4.062 13.706 -1.471 374 HG12 ILE 50 HG12 ILE 50 1.913 14.042 -3.590 375 HG13 ILE 50 HG13 ILE 50 1.757 14.273 -1.847 376 HG21 ILE 50 HG21 ILE 50 5.601 13.090 -3.325 377 HG22 ILE 50 HG22 ILE 50 4.351 13.547 -4.508 378 HG23 ILE 50 HG23 ILE 50 5.090 14.769 -3.447 379 HD11 ILE 50 HD11 ILE 50 3.379 16.009 -3.753 380 HD12 ILE 50 HD12 ILE 50 1.890 16.447 -2.898 381 HD13 ILE 50 HD13 ILE 50 3.389 16.169 -1.977 382 H ASP 51 H ASP 51 5.124 10.902 -3.912 383 HA ASP 51 HA ASP 51 6.387 9.689 -1.503 384 HB2 ASP 51 HB2 ASP 51 4.912 8.209 -3.170 385 HB3 ASP 51 HB3 ASP 51 6.398 8.221 -4.114 386 H ALA 52 H ALA 52 6.810 11.554 -4.353 387 HA ALA 52 HA ALA 52 9.641 11.871 -3.763 388 HB1 ALA 52 HB1 ALA 52 8.744 10.569 -6.365 389 HB2 ALA 52 HB2 ALA 52 10.372 11.222 -6.060 390 HB3 ALA 52 HB3 ALA 52 9.778 9.841 -5.114 391 H ALA 53 H ALA 53 10.620 13.502 -5.359 392 HA ALA 53 HA ALA 53 8.611 15.102 -6.808 393 HB1 ALA 53 HB1 ALA 53 10.324 16.242 -4.571 394 HB2 ALA 53 HB2 ALA 53 9.261 17.175 -5.652 395 HB3 ALA 53 HB3 ALA 53 8.555 16.007 -4.519 396 H ILE 54 H ILE 54 9.531 16.690 -8.222 397 HA ILE 54 HA ILE 54 12.377 16.154 -8.940 398 HB ILE 54 HB ILE 54 10.050 17.134 -10.636 399 HG12 ILE 54 HG12 ILE 54 11.673 14.549 -10.713 400 HG13 ILE 54 HG13 ILE 54 10.027 14.704 -10.079 401 HG21 ILE 54 HG21 ILE 54 12.959 16.622 -11.392 402 HG22 ILE 54 HG22 ILE 54 11.661 17.081 -12.512 403 HG23 ILE 54 HG23 ILE 54 12.182 18.221 -11.273 404 HD11 ILE 54 HD11 ILE 54 10.888 15.176 -12.964 405 HD12 ILE 54 HD12 ILE 54 9.941 13.815 -12.342 406 HD13 ILE 54 HD13 ILE 54 9.248 15.450 -12.325 407 H LEU 55 H LEU 55 13.789 17.823 -8.711 408 HA LEU 55 HA LEU 55 12.632 20.447 -7.884 409 HB2 LEU 55 HB2 LEU 55 15.045 18.860 -6.976 410 HB3 LEU 55 HB3 LEU 55 14.990 20.608 -6.776 411 HG LEU 55 HG LEU 55 14.336 19.342 -4.751 412 HD11 LEU 55 HD11 LEU 55 13.590 21.667 -5.132 413 HD12 LEU 55 HD12 LEU 55 12.110 21.063 -5.922 414 HD13 LEU 55 HD13 LEU 55 12.400 20.737 -4.202 415 HD21 LEU 55 HD21 LEU 55 13.076 17.503 -5.922 416 HD22 LEU 55 HD22 LEU 55 12.203 18.251 -4.565 417 HD23 LEU 55 HD23 LEU 55 11.764 18.673 -6.227 418 H ASP 56 H ASP 56 12.989 22.110 -9.193 419 HA ASP 56 HA ASP 56 15.042 22.062 -11.260 420 HB2 ASP 56 HB2 ASP 56 12.847 23.189 -11.504 421 HB3 ASP 56 HB3 ASP 56 13.272 24.295 -10.187 422 H VAL 57 H VAL 57 17.119 22.869 -11.078 423 HA VAL 57 HA VAL 57 18.050 23.530 -8.401 424 HB VAL 57 HB VAL 57 19.502 23.367 -11.071 425 HG11 VAL 57 HG11 VAL 57 20.824 24.717 -9.509 426 HG12 VAL 57 HG12 VAL 57 20.551 23.519 -8.215 427 HG13 VAL 57 HG13 VAL 57 21.537 23.093 -9.627 428 HG21 VAL 57 HG21 VAL 57 18.495 21.227 -10.312 429 HG22 VAL 57 HG22 VAL 57 20.264 21.185 -10.178 430 HG23 VAL 57 HG23 VAL 57 19.264 21.427 -8.726 431 H ASN 58 H ASN 58 16.786 25.313 -11.053 432 HA ASN 58 HA ASN 58 18.157 27.801 -10.507 433 HB2 ASN 58 HB2 ASN 58 16.993 27.198 -12.664 434 HB3 ASN 58 HB3 ASN 58 15.450 27.310 -11.812 435 HD21 ASN 58 HD21 ASN 58 15.588 30.585 -13.297 436 HD22 ASN 58 HD22 ASN 58 15.083 28.937 -13.600 437 H LEU 59 H LEU 59 17.362 29.590 -9.254 438 HA LEU 59 HA LEU 59 15.063 29.023 -7.486 439 HB2 LEU 59 HB2 LEU 59 17.120 28.154 -6.392 440 HB3 LEU 59 HB3 LEU 59 17.839 29.768 -6.493 441 HG LEU 59 HG LEU 59 16.070 30.665 -5.016 442 HD11 LEU 59 HD11 LEU 59 14.192 29.169 -5.603 443 HD12 LEU 59 HD12 LEU 59 15.081 27.780 -4.932 444 HD13 LEU 59 HD13 LEU 59 14.528 29.088 -3.864 445 HD21 LEU 59 HD21 LEU 59 16.759 29.497 -2.969 446 HD22 LEU 59 HD22 LEU 59 17.345 28.121 -3.939 447 HD23 LEU 59 HD23 LEU 59 18.151 29.699 -4.058 448 H ARG 60 H ARG 60 14.176 30.886 -6.487 449 HA ARG 60 HA ARG 60 14.398 33.236 -8.195 450 HB2 ARG 60 HB2 ARG 60 12.267 32.154 -7.379 451 HB3 ARG 60 HB3 ARG 60 12.625 32.778 -5.764 452 HG2 ARG 60 HG2 ARG 60 12.573 35.092 -6.619 453 HG3 ARG 60 HG3 ARG 60 12.343 34.487 -8.274 454 HD2 ARG 60 HD2 ARG 60 10.431 34.072 -5.944 455 HD3 ARG 60 HD3 ARG 60 10.204 35.209 -7.290 456 HE ARG 60 HE ARG 60 10.583 32.702 -8.473 457 HH11 ARG 60 HH11 ARG 60 8.250 34.141 -6.231 458 HH12 ARG 60 HH12 ARG 60 6.968 33.054 -6.722 459 HH21 ARG 60 HH21 ARG 60 8.926 31.336 -9.061 460 HH22 ARG 60 HH22 ARG 60 7.341 31.475 -8.310 461 H GLY 61 H GLY 61 14.781 35.395 -7.458 462 HA2 GLY 61 HA2 GLY 61 15.793 37.037 -6.184 463 HA3 GLY 61 HA3 GLY 61 15.754 35.943 -4.796 464 H GLY 62 H GLY 62 17.929 36.968 -4.430 465 HA2 GLY 62 HA2 GLY 62 20.114 36.303 -6.216 466 HA3 GLY 62 HA3 GLY 62 20.226 37.044 -4.607 467 H GLU 63 H GLU 63 18.351 34.357 -4.100 468 HA GLU 63 HA GLU 63 20.494 32.936 -2.797 469 HB2 GLU 63 HB2 GLU 63 17.598 32.172 -3.329 470 HB3 GLU 63 HB3 GLU 63 18.718 31.301 -2.259 471 HG2 GLU 63 HG2 GLU 63 19.005 33.366 -0.906 472 HG3 GLU 63 HG3 GLU 63 17.839 34.201 -1.943 473 H LYS 64 H LYS 64 21.059 30.685 -3.152 474 HA LYS 64 HA LYS 64 20.832 29.758 -5.964 475 HB2 LYS 64 HB2 LYS 64 23.458 30.147 -4.466 476 HB3 LYS 64 HB3 LYS 64 23.267 29.446 -6.084 477 HG2 LYS 64 HG2 LYS 64 22.317 31.600 -6.891 478 HG3 LYS 64 HG3 LYS 64 22.567 32.298 -5.275 479 HD2 LYS 64 HD2 LYS 64 25.009 31.853 -5.477 480 HD3 LYS 64 HD3 LYS 64 24.740 31.189 -7.100 481 HE2 LYS 64 HE2 LYS 64 25.476 33.501 -7.283 482 HE3 LYS 64 HE3 LYS 64 23.792 33.376 -7.818 483 HZ1 LYS 64 HZ1 LYS 64 23.124 34.196 -5.645 484 HZ2 LYS 64 HZ2 LYS 64 24.690 34.312 -5.166 485 HZ3 LYS 64 HZ3 LYS 64 24.131 35.263 -6.381 486 H SER 65 H SER 65 22.033 27.578 -6.148 487 HA SER 65 HA SER 65 22.009 25.371 -5.661 488 HB2 SER 65 HB2 SER 65 23.719 26.169 -4.050 489 HB3 SER 65 HB3 SER 65 22.465 26.241 -2.796 490 HG SER 65 HG SER 65 23.634 24.257 -2.809 491 H THR 66 H THR 66 21.040 23.678 -3.899 492 HA THR 66 HA THR 66 18.235 24.447 -3.311 493 HB THR 66 HB THR 66 18.927 21.907 -4.823 494 HG1 THR 66 HG1 THR 66 17.987 24.397 -5.798 495 HG21 THR 66 HG21 THR 66 16.326 23.443 -4.364 496 HG22 THR 66 HG22 THR 66 16.495 21.963 -5.336 497 HG23 THR 66 HG23 THR 66 16.768 21.903 -3.587 498 HA PRO 67 HA PRO 67 20.460 21.778 -0.131 499 HB2 PRO 67 HB2 PRO 67 20.444 23.500 1.985 500 HB3 PRO 67 HB3 PRO 67 21.690 23.584 0.696 501 HG2 PRO 67 HG2 PRO 67 19.134 25.211 0.899 502 HG3 PRO 67 HG3 PRO 67 20.812 25.815 0.654 503 HD2 PRO 67 HD2 PRO 67 19.145 25.421 -1.443 504 HD3 PRO 67 HD3 PRO 67 20.879 24.984 -1.559 505 H VAL 68 H VAL 68 17.456 23.410 -0.525 506 HA VAL 68 HA VAL 68 16.139 22.480 1.871 507 HB VAL 68 HB VAL 68 14.078 23.158 0.646 508 HG11 VAL 68 HG11 VAL 68 14.632 25.541 0.492 509 HG12 VAL 68 HG12 VAL 68 15.418 24.813 1.911 510 HG13 VAL 68 HG13 VAL 68 16.367 25.168 0.450 511 HG21 VAL 68 HG21 VAL 68 14.763 22.511 -1.635 512 HG22 VAL 68 HG22 VAL 68 14.314 24.231 -1.570 513 HG23 VAL 68 HG23 VAL 68 16.020 23.772 -1.633 514 H ALA 69 H ALA 69 17.086 20.922 -1.092 515 HA ALA 69 HA ALA 69 14.992 18.948 -1.149 516 HB1 ALA 69 HB1 ALA 69 17.842 18.862 -2.220 517 HB2 ALA 69 HB2 ALA 69 16.506 17.795 -2.699 518 HB3 ALA 69 HB3 ALA 69 16.437 19.528 -3.089 519 H GLU 70 H GLU 70 17.881 19.427 0.782 520 HA GLU 70 HA GLU 70 18.144 16.642 1.572 521 HB2 GLU 70 HB2 GLU 70 19.277 19.208 2.757 522 HB3 GLU 70 HB3 GLU 70 19.777 17.557 3.189 523 HG2 GLU 70 HG2 GLU 70 20.509 17.144 0.882 524 HG3 GLU 70 HG3 GLU 70 19.944 18.739 0.381 525 H ALA 71 H ALA 71 16.154 19.355 2.546 526 HA ALA 71 HA ALA 71 15.476 18.180 5.135 527 HB1 ALA 71 HB1 ALA 71 15.353 20.625 4.741 528 HB2 ALA 71 HB2 ALA 71 14.116 20.356 3.491 529 HB3 ALA 71 HB3 ALA 71 13.765 19.954 5.183 530 H LEU 72 H LEU 72 14.310 18.094 1.766 531 HA LEU 72 HA LEU 72 11.903 16.628 2.365 532 HB2 LEU 72 HB2 LEU 72 12.288 17.923 0.277 533 HB3 LEU 72 HB3 LEU 72 13.579 16.802 -0.182 534 HG LEU 72 HG LEU 72 11.948 14.942 -0.263 535 HD11 LEU 72 HD11 LEU 72 9.916 17.136 0.324 536 HD12 LEU 72 HD12 LEU 72 9.519 15.484 -0.217 537 HD13 LEU 72 HD13 LEU 72 10.282 15.739 1.364 538 HD21 LEU 72 HD21 LEU 72 12.447 16.293 -2.278 539 HD22 LEU 72 HD22 LEU 72 10.770 15.696 -2.282 540 HD23 LEU 72 HD23 LEU 72 11.115 17.394 -1.863 541 H ALA 73 H ALA 73 15.318 15.792 1.854 542 HA ALA 73 HA ALA 73 14.822 12.933 1.758 543 HB1 ALA 73 HB1 ALA 73 17.289 12.792 1.942 544 HB2 ALA 73 HB2 ALA 73 16.790 13.933 0.682 545 HB3 ALA 73 HB3 ALA 73 17.360 14.543 2.253 546 H ALA 74 H ALA 74 15.145 15.356 4.287 547 HA ALA 74 HA ALA 74 15.733 13.437 6.388 548 HB1 ALA 74 HB1 ALA 74 15.252 15.310 7.887 549 HB2 ALA 74 HB2 ALA 74 16.324 15.829 6.570 550 HB3 ALA 74 HB3 ALA 74 14.592 16.257 6.537 551 H ARG 75 H ARG 75 12.912 14.448 4.618 552 HA ARG 75 HA ARG 75 11.076 13.125 6.511 553 HB2 ARG 75 HB2 ARG 75 10.586 14.426 3.804 554 HB3 ARG 75 HB3 ARG 75 9.337 13.780 4.868 555 HG2 ARG 75 HG2 ARG 75 11.215 16.099 5.498 556 HG3 ARG 75 HG3 ARG 75 9.494 16.219 5.105 557 HD2 ARG 75 HD2 ARG 75 10.682 14.852 7.549 558 HD3 ARG 75 HD3 ARG 75 9.871 16.424 7.524 559 HE ARG 75 HE ARG 75 8.011 14.680 6.431 560 HH11 ARG 75 HH11 ARG 75 9.803 14.869 9.472 561 HH12 ARG 75 HH12 ARG 75 8.562 14.054 10.392 562 HH21 ARG 75 HH21 ARG 75 6.404 13.630 7.654 563 HH22 ARG 75 HH22 ARG 75 6.635 13.363 9.366 564 H ASP 76 H ASP 76 13.355 11.884 4.739 565 HA ASP 76 HA ASP 76 13.770 9.986 3.667 566 HB2 ASP 76 HB2 ASP 76 12.701 9.106 5.732 567 HB3 ASP 76 HB3 ASP 76 11.170 8.978 4.852 568 H ILE 77 H ILE 77 12.382 12.042 2.141 569 HA ILE 77 HA ILE 77 11.070 10.296 0.120 570 HB ILE 77 HB ILE 77 10.676 13.224 0.786 571 HG12 ILE 77 HG12 ILE 77 8.824 10.805 0.703 572 HG13 ILE 77 HG13 ILE 77 9.501 11.526 2.172 573 HG21 ILE 77 HG21 ILE 77 9.539 11.637 -1.551 574 HG22 ILE 77 HG22 ILE 77 9.111 13.310 -1.125 575 HG23 ILE 77 HG23 ILE 77 10.748 12.936 -1.682 576 HD11 ILE 77 HD11 ILE 77 7.562 12.849 0.241 577 HD12 ILE 77 HD12 ILE 77 7.235 12.311 1.898 578 HD13 ILE 77 HD13 ILE 77 8.343 13.672 1.615 579 HA PRO 78 HA PRO 78 14.770 11.177 -2.198 580 HB2 PRO 78 HB2 PRO 78 14.226 9.740 -4.431 581 HB3 PRO 78 HB3 PRO 78 14.526 8.944 -2.848 582 HG2 PRO 78 HG2 PRO 78 11.846 9.644 -4.091 583 HG3 PRO 78 HG3 PRO 78 12.370 8.055 -3.437 584 HD2 PRO 78 HD2 PRO 78 10.930 9.824 -1.945 585 HD3 PRO 78 HD3 PRO 78 12.229 8.833 -1.209 586 H PHE 79 H PHE 79 15.438 12.221 -4.183 587 HA PHE 79 HA PHE 79 13.389 13.646 -5.737 588 HB2 PHE 79 HB2 PHE 79 14.386 15.825 -5.290 589 HB3 PHE 79 HB3 PHE 79 13.761 15.107 -3.809 590 HD1 PHE 79 HD1 PHE 79 15.172 14.755 -1.928 591 HD2 PHE 79 HD2 PHE 79 16.907 15.741 -5.738 592 HE1 PHE 79 HE1 PHE 79 17.385 15.124 -0.844 593 HE2 PHE 79 HE2 PHE 79 19.108 16.065 -4.654 594 HZ PHE 79 HZ PHE 79 19.331 15.777 -2.191 595 H VAL 80 H VAL 80 14.505 15.028 -7.449 596 HA VAL 80 HA VAL 80 17.194 14.081 -8.230 597 HB VAL 80 HB VAL 80 15.650 12.540 -9.326 598 HG11 VAL 80 HG11 VAL 80 14.395 15.012 -10.583 599 HG12 VAL 80 HG12 VAL 80 14.008 13.328 -10.982 600 HG13 VAL 80 HG13 VAL 80 13.628 13.956 -9.366 601 HG21 VAL 80 HG21 VAL 80 17.691 13.314 -10.529 602 HG22 VAL 80 HG22 VAL 80 16.369 12.844 -11.619 603 HG23 VAL 80 HG23 VAL 80 16.712 14.563 -11.338 604 H PHE 81 H PHE 81 18.300 15.564 -9.599 605 HA PHE 81 HA PHE 81 17.245 18.321 -9.343 606 HB2 PHE 81 HB2 PHE 81 19.968 17.200 -10.058 607 HB3 PHE 81 HB3 PHE 81 19.583 18.917 -10.022 608 HD1 PHE 81 HD1 PHE 81 21.733 17.286 -8.486 609 HD2 PHE 81 HD2 PHE 81 17.848 18.792 -7.408 610 HE1 PHE 81 HE1 PHE 81 22.433 17.386 -6.114 611 HE2 PHE 81 HE2 PHE 81 18.554 18.888 -5.036 612 HZ PHE 81 HZ PHE 81 20.841 18.193 -4.384 613 H ALA 82 H ALA 82 17.233 19.801 -11.056 614 HA ALA 82 HA ALA 82 17.753 18.768 -13.780 615 HB1 ALA 82 HB1 ALA 82 15.319 18.611 -13.434 616 HB2 ALA 82 HB2 ALA 82 15.272 20.318 -12.928 617 HB3 ALA 82 HB3 ALA 82 15.715 19.892 -14.600 618 H THR 83 H THR 83 19.093 20.144 -14.848 619 HA THR 83 HA THR 83 19.178 22.999 -14.151 620 HB THR 83 HB THR 83 20.501 21.890 -12.359 621 HG1 THR 83 HG1 THR 83 22.324 23.179 -12.694 622 HG21 THR 83 HG21 THR 83 22.640 20.817 -12.910 623 HG22 THR 83 HG22 THR 83 21.300 19.923 -13.654 624 HG23 THR 83 HG23 THR 83 22.311 20.993 -14.647 625 H GLY 84 H GLY 84 20.965 24.112 -15.422 626 HA2 GLY 84 HA2 GLY 84 22.114 22.734 -17.697 627 HA3 GLY 84 HA3 GLY 84 20.756 23.784 -18.155 628 H GLY 85 H GLY 85 23.982 23.735 -18.108 629 HA2 GLY 85 HA2 GLY 85 24.662 26.249 -18.684 630 HA3 GLY 85 HA3 GLY 85 24.507 26.376 -16.919 631 H SER 86 H SER 86 26.872 26.935 -17.147 632 HA SER 86 HA SER 86 28.738 24.791 -17.707 633 HB2 SER 86 HB2 SER 86 29.087 27.416 -16.213 634 HB3 SER 86 HB3 SER 86 30.392 26.352 -16.795 635 HG SER 86 HG SER 86 29.914 28.078 -18.243 636 H ASP 87 H ASP 87 30.215 23.859 -16.084 637 HA ASP 87 HA ASP 87 28.702 22.954 -13.752 638 HB2 ASP 87 HB2 ASP 87 30.562 21.404 -13.460 639 HB3 ASP 87 HB3 ASP 87 30.018 21.398 -15.143 640 H ASP 88 H ASP 88 30.695 25.604 -14.379 641 HA ASP 88 HA ASP 88 32.176 25.633 -11.889 642 HB2 ASP 88 HB2 ASP 88 32.943 26.634 -14.049 643 HB3 ASP 88 HB3 ASP 88 31.664 27.847 -13.913 644 H SER 89 H SER 89 28.936 26.004 -12.397 645 HA SER 89 HA SER 89 28.679 27.947 -10.153 646 HB2 SER 89 HB2 SER 89 26.586 28.728 -11.184 647 HB3 SER 89 HB3 SER 89 27.980 28.975 -12.262 648 HG SER 89 HG SER 89 26.164 28.053 -13.326 649 H VAL 90 H VAL 90 28.642 24.801 -10.600 650 HA VAL 90 HA VAL 90 26.314 24.402 -8.797 651 HB VAL 90 HB VAL 90 27.043 22.544 -11.091 652 HG11 VAL 90 HG11 VAL 90 25.996 21.446 -9.148 653 HG12 VAL 90 HG12 VAL 90 24.678 22.639 -9.158 654 HG13 VAL 90 HG13 VAL 90 24.862 21.498 -10.512 655 HG21 VAL 90 HG21 VAL 90 26.060 24.623 -11.999 656 HG22 VAL 90 HG22 VAL 90 24.902 23.289 -12.109 657 HG23 VAL 90 HG23 VAL 90 24.727 24.514 -10.830 658 H ASP 91 H ASP 91 26.558 22.657 -7.304 659 HA ASP 91 HA ASP 91 29.376 22.297 -6.581 660 HB2 ASP 91 HB2 ASP 91 27.743 23.118 -4.942 661 HB3 ASP 91 HB3 ASP 91 26.802 21.633 -5.121 662 H SER 92 H SER 92 30.159 20.215 -5.706 663 HA SER 92 HA SER 92 29.998 18.234 -7.734 664 HB2 SER 92 HB2 SER 92 31.142 18.086 -4.920 665 HB3 SER 92 HB3 SER 92 31.481 16.950 -6.250 666 HG SER 92 HG SER 92 33.059 18.604 -6.047 667 H ARG 93 H ARG 93 27.939 18.729 -4.945 668 HA ARG 93 HA ARG 93 27.181 15.915 -4.772 669 HB2 ARG 93 HB2 ARG 93 25.908 18.406 -3.592 670 HB3 ARG 93 HB3 ARG 93 25.430 16.731 -3.237 671 HG2 ARG 93 HG2 ARG 93 27.803 16.266 -2.520 672 HG3 ARG 93 HG3 ARG 93 28.144 17.997 -2.673 673 HD2 ARG 93 HD2 ARG 93 26.119 16.663 -0.842 674 HD3 ARG 93 HD3 ARG 93 27.618 17.479 -0.352 675 HE ARG 93 HE ARG 93 26.368 19.510 -1.588 676 HH11 ARG 93 HH11 ARG 93 25.165 17.139 0.734 677 HH12 ARG 93 HH12 ARG 93 23.921 18.198 1.357 678 HH21 ARG 93 HH21 ARG 93 24.729 20.884 -0.754 679 HH22 ARG 93 HH22 ARG 93 23.649 20.282 0.492 680 H PHE 94 H PHE 94 26.316 18.570 -6.838 681 HA PHE 94 HA PHE 94 23.872 17.207 -7.760 682 HB2 PHE 94 HB2 PHE 94 25.457 19.499 -8.953 683 HB3 PHE 94 HB3 PHE 94 23.866 18.970 -9.487 684 HD1 PHE 94 HD1 PHE 94 25.648 20.374 -6.512 685 HD2 PHE 94 HD2 PHE 94 21.923 19.934 -8.602 686 HE1 PHE 94 HE1 PHE 94 24.576 21.967 -4.937 687 HE2 PHE 94 HE2 PHE 94 20.844 21.513 -7.020 688 HZ PHE 94 HZ PHE 94 22.171 22.533 -5.194 689 H ARG 95 H ARG 95 27.321 17.335 -8.392 690 HA ARG 95 HA ARG 95 27.159 16.052 -11.005 691 HB2 ARG 95 HB2 ARG 95 29.533 16.326 -9.127 692 HB3 ARG 95 HB3 ARG 95 29.579 15.958 -10.861 693 HG2 ARG 95 HG2 ARG 95 28.612 18.198 -11.352 694 HG3 ARG 95 HG3 ARG 95 28.585 18.553 -9.606 695 HD2 ARG 95 HD2 ARG 95 31.065 18.083 -9.557 696 HD3 ARG 95 HD3 ARG 95 31.029 17.985 -11.326 697 HE ARG 95 HE ARG 95 29.881 20.424 -10.849 698 HH11 ARG 95 HH11 ARG 95 32.869 18.911 -9.697 699 HH12 ARG 95 HH12 ARG 95 33.711 20.434 -9.534 700 HH21 ARG 95 HH21 ARG 95 31.026 22.407 -10.616 701 HH22 ARG 95 HH22 ARG 95 32.673 22.396 -10.038 702 H ASP 96 H ASP 96 26.954 14.979 -7.727 703 HA ASP 96 HA ASP 96 27.740 12.205 -8.457 704 HB2 ASP 96 HB2 ASP 96 28.776 13.243 -6.481 705 HB3 ASP 96 HB3 ASP 96 27.182 13.503 -5.765 706 H ARG 97 H ARG 97 24.952 14.211 -7.665 707 HA ARG 97 HA ARG 97 23.178 11.865 -7.380 708 HB2 ARG 97 HB2 ARG 97 22.794 14.875 -7.174 709 HB3 ARG 97 HB3 ARG 97 21.441 13.740 -7.140 710 HG2 ARG 97 HG2 ARG 97 22.433 12.566 -5.209 711 HG3 ARG 97 HG3 ARG 97 23.807 13.694 -5.216 712 HD2 ARG 97 HD2 ARG 97 22.283 15.588 -4.816 713 HD3 ARG 97 HD3 ARG 97 20.887 14.500 -4.863 714 HE ARG 97 HE ARG 97 22.864 14.796 -2.695 715 HH11 ARG 97 HH11 ARG 97 20.147 12.954 -4.010 716 HH12 ARG 97 HH12 ARG 97 19.765 12.205 -2.475 717 HH21 ARG 97 HH21 ARG 97 22.335 13.805 -0.709 718 HH22 ARG 97 HH22 ARG 97 20.992 12.693 -0.612 719 HA PRO 98 HA PRO 98 21.888 11.804 -11.591 720 HB2 PRO 98 HB2 PRO 98 19.147 11.500 -11.456 721 HB3 PRO 98 HB3 PRO 98 20.319 10.201 -11.078 722 HG2 PRO 98 HG2 PRO 98 18.942 12.085 -9.137 723 HG3 PRO 98 HG3 PRO 98 19.083 10.295 -9.033 724 HD2 PRO 98 HD2 PRO 98 20.771 11.897 -7.667 725 HD3 PRO 98 HD3 PRO 98 21.392 10.433 -8.480 726 H VAL 99 H VAL 99 21.224 13.171 -13.220 727 HA VAL 99 HA VAL 99 19.854 15.701 -12.513 728 HB VAL 99 HB VAL 99 21.570 16.965 -13.806 729 HG11 VAL 99 HG11 VAL 99 21.605 16.994 -11.356 730 HG12 VAL 99 HG12 VAL 99 22.625 15.533 -11.338 731 HG13 VAL 99 HG13 VAL 99 23.254 17.050 -12.018 732 HG21 VAL 99 HG21 VAL 99 23.794 15.992 -14.151 733 HG22 VAL 99 HG22 VAL 99 23.238 14.425 -13.528 734 HG23 VAL 99 HG23 VAL 99 22.577 15.069 -15.048 735 H LEU 100 H LEU 100 18.949 16.801 -14.289 736 HA LEU 100 HA LEU 100 19.162 15.519 -16.942 737 HB2 LEU 100 HB2 LEU 100 17.149 14.580 -15.845 738 HB3 LEU 100 HB3 LEU 100 16.545 16.213 -15.545 739 HG LEU 100 HG LEU 100 16.375 16.614 -17.978 740 HD11 LEU 100 HD11 LEU 100 17.316 13.727 -18.242 741 HD12 LEU 100 HD12 LEU 100 16.688 14.743 -19.561 742 HD13 LEU 100 HD13 LEU 100 18.222 15.162 -18.778 743 HD21 LEU 100 HD21 LEU 100 14.482 15.586 -16.729 744 HD22 LEU 100 HD22 LEU 100 14.535 15.064 -18.425 745 HD23 LEU 100 HD23 LEU 100 15.110 13.973 -17.141 746 H GLN 101 H GLN 101 18.658 17.023 -18.690 747 HA GLN 101 HA GLN 101 19.498 19.715 -18.117 748 HB2 GLN 101 HB2 GLN 101 18.277 18.485 -20.613 749 HB3 GLN 101 HB3 GLN 101 19.046 20.087 -20.517 750 HG2 GLN 101 HG2 GLN 101 21.165 19.010 -19.793 751 HG3 GLN 101 HG3 GLN 101 20.409 17.419 -19.934 752 HE21 GLN 101 HE21 GLN 101 22.242 17.785 -23.085 753 HE22 GLN 101 HE22 GLN 101 22.563 17.497 -21.388 754 H LYS 102 H LYS 102 18.214 21.696 -18.574 755 HA LYS 102 HA LYS 102 15.654 21.611 -17.306 756 HB2 LYS 102 HB2 LYS 102 16.926 23.768 -19.034 757 HB3 LYS 102 HB3 LYS 102 15.430 23.967 -18.112 758 HG2 LYS 102 HG2 LYS 102 18.198 23.378 -16.989 759 HG3 LYS 102 HG3 LYS 102 17.303 24.891 -16.847 760 HD2 LYS 102 HD2 LYS 102 16.558 22.219 -15.590 761 HD3 LYS 102 HD3 LYS 102 17.166 23.645 -14.749 762 HE2 LYS 102 HE2 LYS 102 14.559 23.637 -16.325 763 HE3 LYS 102 HE3 LYS 102 14.671 23.260 -14.597 764 HZ1 LYS 102 HZ1 LYS 102 15.552 25.796 -15.801 765 HZ2 LYS 102 HZ2 LYS 102 14.154 25.570 -14.975 766 HZ3 LYS 102 HZ3 LYS 102 15.585 25.390 -14.197 767 HA PRO 103 HA PRO 103 13.630 21.513 -21.598 768 HB2 PRO 103 HB2 PRO 103 15.085 20.823 -23.797 769 HB3 PRO 103 HB3 PRO 103 14.919 22.526 -23.258 770 HG2 PRO 103 HG2 PRO 103 17.193 20.603 -22.679 771 HG3 PRO 103 HG3 PRO 103 17.300 22.290 -23.289 772 HD2 PRO 103 HD2 PRO 103 17.619 21.690 -20.665 773 HD3 PRO 103 HD3 PRO 103 16.759 23.177 -21.169 774 H PHE 104 H PHE 104 12.557 19.580 -21.862 775 HA PHE 104 HA PHE 104 14.035 17.133 -21.025 776 HB2 PHE 104 HB2 PHE 104 11.152 18.007 -20.883 777 HB3 PHE 104 HB3 PHE 104 11.587 16.304 -20.813 778 HD1 PHE 104 HD1 PHE 104 10.418 16.259 -18.648 779 HD2 PHE 104 HD2 PHE 104 13.986 18.596 -19.230 780 HE1 PHE 104 HE1 PHE 104 10.794 16.303 -16.203 781 HE2 PHE 104 HE2 PHE 104 14.319 18.684 -16.785 782 HZ PHE 104 HZ PHE 104 12.742 17.527 -15.267 783 H THR 105 H THR 105 13.612 15.138 -22.041 784 HA THR 105 HA THR 105 12.409 15.171 -24.747 785 HB THR 105 HB THR 105 14.318 13.903 -25.643 786 HG1 THR 105 HG1 THR 105 16.230 13.852 -24.377 787 HG21 THR 105 HG21 THR 105 15.929 15.720 -25.839 788 HG22 THR 105 HG22 THR 105 14.282 16.380 -25.894 789 HG23 THR 105 HG23 THR 105 15.253 16.529 -24.405 790 H MET 106 H MET 106 11.997 12.897 -25.500 791 HA MET 106 HA MET 106 10.673 11.454 -23.439 792 HB2 MET 106 HB2 MET 106 11.526 10.556 -26.226 793 HB3 MET 106 HB3 MET 106 10.392 9.705 -25.172 794 HG2 MET 106 HG2 MET 106 9.064 10.923 -26.683 795 HG3 MET 106 HG3 MET 106 8.964 11.784 -25.147 796 HE1 MET 106 HE1 MET 106 7.950 12.961 -27.876 797 HE2 MET 106 HE2 MET 106 7.892 13.844 -26.332 798 HE3 MET 106 HE3 MET 106 8.562 14.631 -27.780 799 H ASP 107 H ASP 107 13.966 11.230 -24.731 800 HA ASP 107 HA ASP 107 14.457 8.639 -23.456 801 HB2 ASP 107 HB2 ASP 107 15.511 9.256 -25.595 802 HB3 ASP 107 HB3 ASP 107 16.300 10.638 -24.819 803 H GLY 108 H GLY 108 14.865 12.077 -22.693 804 HA2 GLY 108 HA2 GLY 108 16.831 11.656 -20.606 805 HA3 GLY 108 HA3 GLY 108 15.922 13.138 -20.956 806 H VAL 109 H VAL 109 13.251 11.861 -20.736 807 HA VAL 109 HA VAL 109 13.084 12.030 -17.821 808 HB VAL 109 HB VAL 109 10.665 11.954 -18.151 809 HG11 VAL 109 HG11 VAL 109 11.887 14.077 -18.366 810 HG12 VAL 109 HG12 VAL 109 12.081 13.801 -20.111 811 HG13 VAL 109 HG13 VAL 109 10.456 14.037 -19.423 812 HG21 VAL 109 HG21 VAL 109 10.546 10.380 -20.048 813 HG22 VAL 109 HG22 VAL 109 9.693 11.892 -20.411 814 HG23 VAL 109 HG23 VAL 109 11.298 11.589 -21.110 815 H ALA 110 H ALA 110 13.139 9.457 -20.246 816 HA ALA 110 HA ALA 110 11.926 7.476 -18.529 817 HB1 ALA 110 HB1 ALA 110 12.024 7.271 -20.988 818 HB2 ALA 110 HB2 ALA 110 13.803 7.203 -20.915 819 HB3 ALA 110 HB3 ALA 110 12.832 5.900 -20.193 820 H LYS 111 H LYS 111 15.194 8.782 -18.991 821 HA LYS 111 HA LYS 111 16.432 6.707 -17.330 822 HB2 LYS 111 HB2 LYS 111 17.458 9.234 -18.668 823 HB3 LYS 111 HB3 LYS 111 18.476 8.123 -17.728 824 HG2 LYS 111 HG2 LYS 111 17.996 6.286 -19.239 825 HG3 LYS 111 HG3 LYS 111 16.806 7.262 -20.126 826 HD2 LYS 111 HD2 LYS 111 18.572 8.822 -20.826 827 HD3 LYS 111 HD3 LYS 111 19.783 7.877 -19.932 828 HE2 LYS 111 HE2 LYS 111 19.382 5.926 -21.333 829 HE3 LYS 111 HE3 LYS 111 18.020 6.727 -22.131 830 HZ1 LYS 111 HZ1 LYS 111 19.509 8.299 -23.060 831 HZ2 LYS 111 HZ2 LYS 111 20.807 7.659 -22.271 832 HZ3 LYS 111 HZ3 LYS 111 20.036 6.793 -23.442 833 H ALA 112 H ALA 112 15.068 9.936 -16.900 834 HA ALA 112 HA ALA 112 16.453 10.396 -14.376 835 HB1 ALA 112 HB1 ALA 112 14.050 11.765 -15.643 836 HB2 ALA 112 HB2 ALA 112 14.975 12.358 -14.238 837 HB3 ALA 112 HB3 ALA 112 15.753 12.244 -15.833 838 H LEU 113 H LEU 113 13.219 9.169 -15.389 839 HA LEU 113 HA LEU 113 12.339 8.934 -12.621 840 HB2 LEU 113 HB2 LEU 113 11.255 8.171 -15.330 841 HB3 LEU 113 HB3 LEU 113 10.581 7.407 -13.896 842 HG LEU 113 HG LEU 113 9.309 9.399 -14.643 843 HD11 LEU 113 HD11 LEU 113 10.578 9.700 -11.894 844 HD12 LEU 113 HD12 LEU 113 9.008 10.342 -12.417 845 HD13 LEU 113 HD13 LEU 113 9.245 8.586 -12.300 846 HD21 LEU 113 HD21 LEU 113 11.202 10.843 -15.355 847 HD22 LEU 113 HD22 LEU 113 10.152 11.646 -14.170 848 HD23 LEU 113 HD23 LEU 113 11.717 10.986 -13.658 849 H ALA 114 H ALA 114 14.078 6.887 -14.955 850 HA ALA 114 HA ALA 114 13.772 4.494 -13.355 851 HB1 ALA 114 HB1 ALA 114 15.809 5.254 -15.490 852 HB2 ALA 114 HB2 ALA 114 15.551 3.623 -14.829 853 HB3 ALA 114 HB3 ALA 114 14.264 4.411 -15.762 854 H ALA 115 H ALA 115 15.797 7.351 -13.185 855 HA ALA 115 HA ALA 115 17.739 6.069 -11.395 856 HB1 ALA 115 HB1 ALA 115 17.378 8.961 -12.266 857 HB2 ALA 115 HB2 ALA 115 18.748 8.311 -11.341 858 HB3 ALA 115 HB3 ALA 115 18.469 7.773 -13.015 859 H LEU 116 H LEU 116 14.660 7.660 -11.150 860 HA LEU 116 HA LEU 116 15.079 8.362 -8.314 861 HB2 LEU 116 HB2 LEU 116 13.750 9.646 -10.220 862 HB3 LEU 116 HB3 LEU 116 12.440 8.560 -9.760 863 HG LEU 116 HG LEU 116 13.938 10.501 -7.947 864 HD11 LEU 116 HD11 LEU 116 11.785 11.695 -7.905 865 HD12 LEU 116 HD12 LEU 116 12.379 11.532 -9.569 866 HD13 LEU 116 HD13 LEU 116 11.074 10.474 -8.985 867 HD21 LEU 116 HD21 LEU 116 13.258 8.605 -6.593 868 HD22 LEU 116 HD22 LEU 116 12.173 9.954 -6.272 869 HD23 LEU 116 HD23 LEU 116 11.620 8.623 -7.317 870 H LEU 117 H LEU 117 13.000 6.220 -10.311 871 HA LEU 117 HA LEU 117 12.076 4.684 -8.022 872 HB2 LEU 117 HB2 LEU 117 11.745 4.472 -11.032 873 HB3 LEU 117 HB3 LEU 117 11.183 3.203 -9.948 874 HG LEU 117 HG LEU 117 9.718 4.753 -8.771 875 HD11 LEU 117 HD11 LEU 117 9.206 6.980 -9.772 876 HD12 LEU 117 HD12 LEU 117 10.833 6.913 -9.077 877 HD13 LEU 117 HD13 LEU 117 10.610 6.797 -10.843 878 HD21 LEU 117 HD21 LEU 117 8.938 3.451 -10.724 879 HD22 LEU 117 HD22 LEU 117 8.092 5.010 -10.592 880 HD23 LEU 117 HD23 LEU 117 9.386 4.800 -11.796 881 H VAL 118 H VAL 118 15.078 4.862 -8.789 882 HA VAL 118 HA VAL 118 15.912 2.308 -9.703 883 HB VAL 118 HB VAL 118 17.287 4.356 -9.703 884 HG11 VAL 118 HG11 VAL 118 17.584 3.875 -6.709 885 HG12 VAL 118 HG12 VAL 118 18.428 5.101 -7.678 886 HG13 VAL 118 HG13 VAL 118 16.670 5.212 -7.450 887 HG21 VAL 118 HG21 VAL 118 18.318 2.113 -9.903 888 HG22 VAL 118 HG22 VAL 118 19.394 3.274 -9.096 889 HG23 VAL 118 HG23 VAL 118 18.520 2.056 -8.138 Start of MODEL 5 1 H1 MET 1 H1 NME 1 -0.534 5.895 4.068 2 H2 MET 1 H2 NME 1 -1.216 6.258 2.615 3 H3 MET 1 H3 NME 1 -0.079 7.253 3.257 4 HA MET 1 HA NME 1 1.603 5.556 3.089 5 HB2 MET 1 HB2 NME 1 0.015 3.658 3.281 6 HB3 MET 1 HB3 NME 1 -0.577 4.002 1.644 7 HG2 MET 1 HG2 NME 1 1.076 2.182 1.667 8 HG3 MET 1 HG3 NME 1 1.651 3.561 0.725 9 HE1 MET 1 HE1 NME 1 3.492 1.146 1.685 10 HE2 MET 1 HE2 NME 1 4.058 2.523 0.709 11 HE3 MET 1 HE3 NME 1 4.952 2.043 2.167 12 H SER 2 H SER 2 2.964 5.561 1.258 13 HA SER 2 HA SER 2 1.909 6.800 -1.219 14 HB2 SER 2 HB2 SER 2 4.277 7.858 0.380 15 HB3 SER 2 HB3 SER 2 3.744 8.441 -1.210 16 HG SER 2 HG SER 2 2.975 9.684 0.580 17 H ALA 3 H ALA 3 3.459 6.663 -3.009 18 HA ALA 3 HA ALA 3 5.759 4.855 -2.678 19 HB1 ALA 3 HB1 ALA 3 3.878 3.333 -3.178 20 HB2 ALA 3 HB2 ALA 3 3.468 4.313 -4.612 21 HB3 ALA 3 HB3 ALA 3 5.003 3.436 -4.551 22 H LEU 4 H LEU 4 6.942 4.731 -4.870 23 HA LEU 4 HA LEU 4 7.343 7.441 -5.719 24 HB2 LEU 4 HB2 LEU 4 8.505 4.788 -6.664 25 HB3 LEU 4 HB3 LEU 4 9.019 6.356 -7.302 26 HG LEU 4 HG LEU 4 9.163 5.582 -4.355 27 HD11 LEU 4 HD11 LEU 4 11.573 5.449 -4.733 28 HD12 LEU 4 HD12 LEU 4 10.739 4.298 -5.813 29 HD13 LEU 4 HD13 LEU 4 11.346 5.860 -6.446 30 HD21 LEU 4 HD21 LEU 4 10.267 7.934 -5.953 31 HD22 LEU 4 HD22 LEU 4 8.971 8.025 -4.730 32 HD23 LEU 4 HD23 LEU 4 10.623 7.595 -4.245 33 H THR 5 H THR 5 4.661 6.220 -6.304 34 HA THR 5 HA THR 5 4.532 6.492 -9.242 35 HB THR 5 HB THR 5 1.961 6.273 -8.469 36 HG1 THR 5 HG1 THR 5 2.458 6.213 -6.252 37 HG21 THR 5 HG21 THR 5 3.167 4.765 -9.963 38 HG22 THR 5 HG22 THR 5 3.945 3.976 -8.555 39 HG23 THR 5 HG23 THR 5 2.183 3.853 -8.801 40 H GLN 6 H GLN 6 4.397 8.403 -6.386 41 HA GLN 6 HA GLN 6 2.917 10.522 -7.845 42 HB2 GLN 6 HB2 GLN 6 3.228 9.896 -4.869 43 HB3 GLN 6 HB3 GLN 6 2.622 11.414 -5.482 44 HG2 GLN 6 HG2 GLN 6 0.615 10.207 -5.207 45 HG3 GLN 6 HG3 GLN 6 0.985 9.904 -6.912 46 HE21 GLN 6 HE21 GLN 6 0.085 6.588 -5.832 47 HE22 GLN 6 HE22 GLN 6 -0.599 8.096 -6.402 48 H ILE 7 H ILE 7 4.209 11.976 -8.704 49 HA ILE 7 HA ILE 7 6.700 12.720 -7.244 50 HB ILE 7 HB ILE 7 6.224 12.832 -10.233 51 HG12 ILE 7 HG12 ILE 7 6.130 10.495 -9.631 52 HG13 ILE 7 HG13 ILE 7 7.675 10.841 -10.413 53 HG21 ILE 7 HG21 ILE 7 7.934 14.362 -9.424 54 HG22 ILE 7 HG22 ILE 7 8.724 13.059 -8.513 55 HG23 ILE 7 HG23 ILE 7 8.694 13.019 -10.295 56 HD11 ILE 7 HD11 ILE 7 7.231 10.583 -7.401 57 HD12 ILE 7 HD12 ILE 7 7.926 9.343 -8.453 58 HD13 ILE 7 HD13 ILE 7 8.790 10.881 -8.211 59 H LEU 8 H LEU 8 6.911 14.801 -6.681 60 HA LEU 8 HA LEU 8 4.834 16.713 -7.525 61 HB2 LEU 8 HB2 LEU 8 5.902 16.220 -5.119 62 HB3 LEU 8 HB3 LEU 8 7.077 17.411 -5.661 63 HG LEU 8 HG LEU 8 4.064 17.778 -5.372 64 HD11 LEU 8 HD11 LEU 8 5.359 17.737 -3.280 65 HD12 LEU 8 HD12 LEU 8 6.473 18.960 -3.927 66 HD13 LEU 8 HD13 LEU 8 4.777 19.388 -3.622 67 HD21 LEU 8 HD21 LEU 8 4.692 19.188 -7.222 68 HD22 LEU 8 HD22 LEU 8 4.566 20.209 -5.786 69 HD23 LEU 8 HD23 LEU 8 6.173 19.729 -6.373 70 H ILE 9 H ILE 9 5.242 18.547 -8.754 71 HA ILE 9 HA ILE 9 7.892 18.663 -10.111 72 HB ILE 9 HB ILE 9 5.116 19.621 -10.856 73 HG12 ILE 9 HG12 ILE 9 6.948 17.578 -12.176 74 HG13 ILE 9 HG13 ILE 9 5.643 17.160 -11.058 75 HG21 ILE 9 HG21 ILE 9 6.812 21.255 -11.645 76 HG22 ILE 9 HG22 ILE 9 7.708 19.938 -12.432 77 HG23 ILE 9 HG23 ILE 9 6.077 20.387 -12.989 78 HD11 ILE 9 HD11 ILE 9 3.985 18.194 -12.545 79 HD12 ILE 9 HD12 ILE 9 5.265 18.607 -13.709 80 HD13 ILE 9 HD13 ILE 9 4.903 16.908 -13.374 81 H VAL 10 H VAL 10 9.208 20.355 -9.766 82 HA VAL 10 HA VAL 10 8.048 22.846 -8.599 83 HB VAL 10 HB VAL 10 10.766 21.663 -7.917 84 HG11 VAL 10 HG11 VAL 10 10.620 24.119 -7.776 85 HG12 VAL 10 HG12 VAL 10 9.174 23.986 -6.747 86 HG13 VAL 10 HG13 VAL 10 10.748 23.399 -6.160 87 HG21 VAL 10 HG21 VAL 10 8.180 21.679 -6.296 88 HG22 VAL 10 HG22 VAL 10 9.014 20.244 -6.935 89 HG23 VAL 10 HG23 VAL 10 9.781 21.231 -5.670 90 H GLU 11 H GLU 11 8.314 24.486 -9.950 91 HA GLU 11 HA GLU 11 10.663 24.625 -11.738 92 HB2 GLU 11 HB2 GLU 11 8.966 23.268 -12.906 93 HB3 GLU 11 HB3 GLU 11 7.766 24.540 -12.668 94 HG2 GLU 11 HG2 GLU 11 8.705 24.547 -14.954 95 HG3 GLU 11 HG3 GLU 11 8.998 26.062 -14.100 96 H ASP 12 H ASP 12 10.880 26.771 -12.723 97 HA ASP 12 HA ASP 12 9.414 28.878 -11.220 98 HB2 ASP 12 HB2 ASP 12 11.677 28.436 -10.320 99 HB3 ASP 12 HB3 ASP 12 12.370 28.825 -11.897 100 H GLU 13 H GLU 13 9.364 27.597 -14.065 101 HA GLU 13 HA GLU 13 9.048 30.192 -15.482 102 HB2 GLU 13 HB2 GLU 13 11.176 29.238 -16.216 103 HB3 GLU 13 HB3 GLU 13 10.403 27.673 -16.511 104 HG2 GLU 13 HG2 GLU 13 10.725 28.911 -18.608 105 HG3 GLU 13 HG3 GLU 13 9.009 28.644 -18.281 106 HA PRO 14 HA PRO 14 5.065 28.108 -15.376 107 HB2 PRO 14 HB2 PRO 14 4.433 30.476 -17.138 108 HB3 PRO 14 HB3 PRO 14 3.474 29.808 -15.779 109 HG2 PRO 14 HG2 PRO 14 4.973 32.012 -15.375 110 HG3 PRO 14 HG3 PRO 14 5.026 30.678 -14.168 111 HD2 PRO 14 HD2 PRO 14 6.991 31.275 -16.395 112 HD3 PRO 14 HD3 PRO 14 7.315 30.875 -14.679 113 H LEU 15 H LEU 15 6.807 29.046 -18.346 114 HA LEU 15 HA LEU 15 4.968 27.625 -20.087 115 HB2 LEU 15 HB2 LEU 15 6.323 29.545 -20.846 116 HB3 LEU 15 HB3 LEU 15 7.809 28.640 -20.506 117 HG LEU 15 HG LEU 15 7.188 26.959 -22.217 118 HD11 LEU 15 HD11 LEU 15 4.802 28.802 -22.699 119 HD12 LEU 15 HD12 LEU 15 5.299 27.469 -23.764 120 HD13 LEU 15 HD13 LEU 15 4.732 27.123 -22.119 121 HD21 LEU 15 HD21 LEU 15 8.549 28.926 -22.839 122 HD22 LEU 15 HD22 LEU 15 7.499 28.420 -24.176 123 HD23 LEU 15 HD23 LEU 15 7.059 29.838 -23.197 124 H ILE 16 H ILE 16 8.057 26.898 -18.435 125 HA ILE 16 HA ILE 16 8.301 24.301 -19.744 126 HB ILE 16 HB ILE 16 9.792 25.585 -17.425 127 HG12 ILE 16 HG12 ILE 16 10.466 25.240 -20.387 128 HG13 ILE 16 HG13 ILE 16 9.997 26.755 -19.606 129 HG21 ILE 16 HG21 ILE 16 10.425 23.066 -19.033 130 HG22 ILE 16 HG22 ILE 16 11.491 23.807 -17.815 131 HG23 ILE 16 HG23 ILE 16 9.952 23.122 -17.316 132 HD11 ILE 16 HD11 ILE 16 12.004 26.581 -18.126 133 HD12 ILE 16 HD12 ILE 16 12.527 25.157 -19.063 134 HD13 ILE 16 HD13 ILE 16 12.399 26.733 -19.854 135 H ALA 17 H ALA 17 6.758 25.616 -16.868 136 HA ALA 17 HA ALA 17 6.554 23.137 -15.435 137 HB1 ALA 17 HB1 ALA 17 6.255 25.364 -14.400 138 HB2 ALA 17 HB2 ALA 17 4.779 25.610 -15.362 139 HB3 ALA 17 HB3 ALA 17 4.844 24.320 -14.138 140 H MET 18 H MET 18 4.653 24.643 -18.057 141 HA MET 18 HA MET 18 2.485 22.711 -17.831 142 HB2 MET 18 HB2 MET 18 3.282 24.683 -20.007 143 HB3 MET 18 HB3 MET 18 1.816 23.684 -20.051 144 HG2 MET 18 HG2 MET 18 1.049 24.681 -17.941 145 HG3 MET 18 HG3 MET 18 2.514 25.659 -17.845 146 HE1 MET 18 HE1 MET 18 -0.360 26.873 -17.536 147 HE2 MET 18 HE2 MET 18 1.128 27.846 -17.490 148 HE3 MET 18 HE3 MET 18 -0.230 28.347 -18.522 149 H MET 19 H MET 19 5.556 22.984 -19.621 150 HA MET 19 HA MET 19 5.051 20.657 -21.281 151 HB2 MET 19 HB2 MET 19 7.620 22.059 -20.451 152 HB3 MET 19 HB3 MET 19 7.525 20.747 -21.636 153 HG2 MET 19 HG2 MET 19 6.025 22.084 -23.045 154 HG3 MET 19 HG3 MET 19 6.038 23.391 -21.859 155 HE1 MET 19 HE1 MET 19 8.062 21.362 -24.516 156 HE2 MET 19 HE2 MET 19 9.669 22.112 -24.448 157 HE3 MET 19 HE3 MET 19 9.090 21.138 -23.078 158 H LEU 20 H LEU 20 6.068 21.191 -17.961 159 HA LEU 20 HA LEU 20 7.359 18.628 -17.651 160 HB2 LEU 20 HB2 LEU 20 7.015 21.039 -16.151 161 HB3 LEU 20 HB3 LEU 20 6.307 19.756 -15.178 162 HG LEU 20 HG LEU 20 8.654 20.062 -14.604 163 HD11 LEU 20 HD11 LEU 20 8.264 17.469 -16.149 164 HD12 LEU 20 HD12 LEU 20 9.451 17.773 -14.856 165 HD13 LEU 20 HD13 LEU 20 7.715 17.781 -14.491 166 HD21 LEU 20 HD21 LEU 20 9.369 20.997 -16.779 167 HD22 LEU 20 HD22 LEU 20 10.445 19.724 -16.187 168 HD23 LEU 20 HD23 LEU 20 9.287 19.371 -17.496 169 H GLU 21 H GLU 21 4.045 19.881 -17.182 170 HA GLU 21 HA GLU 21 3.105 17.386 -16.010 171 HB2 GLU 21 HB2 GLU 21 1.612 19.733 -17.245 172 HB3 GLU 21 HB3 GLU 21 0.863 18.385 -16.370 173 HG2 GLU 21 HG2 GLU 21 2.244 18.985 -14.358 174 HG3 GLU 21 HG3 GLU 21 2.849 20.395 -15.231 175 H ASP 22 H ASP 22 3.674 18.623 -19.255 176 HA ASP 22 HA ASP 22 1.916 16.718 -20.563 177 HB2 ASP 22 HB2 ASP 22 2.549 18.888 -21.562 178 HB3 ASP 22 HB3 ASP 22 4.238 18.368 -21.627 179 H PHE 23 H PHE 23 5.411 16.839 -19.679 180 HA PHE 23 HA PHE 23 5.972 14.317 -20.998 181 HB2 PHE 23 HB2 PHE 23 7.424 16.279 -19.272 182 HB3 PHE 23 HB3 PHE 23 8.003 14.609 -19.266 183 HD1 PHE 23 HD1 PHE 23 8.361 13.451 -21.530 184 HD2 PHE 23 HD2 PHE 23 8.149 17.713 -21.038 185 HE1 PHE 23 HE1 PHE 23 9.579 13.751 -23.667 186 HE2 PHE 23 HE2 PHE 23 9.341 18.019 -23.191 187 HZ PHE 23 HZ PHE 23 10.056 16.034 -24.511 188 H LEU 24 H LEU 24 4.660 15.250 -17.878 189 HA LEU 24 HA LEU 24 5.337 12.720 -16.620 190 HB2 LEU 24 HB2 LEU 24 4.957 14.933 -15.429 191 HB3 LEU 24 HB3 LEU 24 3.231 14.755 -15.792 192 HG LEU 24 HG LEU 24 3.271 12.554 -14.546 193 HD11 LEU 24 HD11 LEU 24 5.669 12.021 -14.722 194 HD12 LEU 24 HD12 LEU 24 6.082 13.507 -13.836 195 HD13 LEU 24 HD13 LEU 24 5.224 12.187 -13.011 196 HD21 LEU 24 HD21 LEU 24 4.259 14.944 -12.944 197 HD22 LEU 24 HD22 LEU 24 2.578 14.696 -13.477 198 HD23 LEU 24 HD23 LEU 24 3.330 13.562 -12.330 199 H GLU 25 H GLU 25 2.787 13.901 -18.715 200 HA GLU 25 HA GLU 25 0.927 11.755 -18.027 201 HB2 GLU 25 HB2 GLU 25 0.187 14.022 -18.715 202 HB3 GLU 25 HB3 GLU 25 0.922 13.767 -20.308 203 HG2 GLU 25 HG2 GLU 25 -0.582 11.849 -20.705 204 HG3 GLU 25 HG3 GLU 25 -1.267 12.042 -19.083 205 H VAL 26 H VAL 26 3.412 12.429 -20.497 206 HA VAL 26 HA VAL 26 2.731 10.088 -22.100 207 HB VAL 26 HB VAL 26 5.159 11.923 -22.024 208 HG11 VAL 26 HG11 VAL 26 4.373 9.751 -24.022 209 HG12 VAL 26 HG12 VAL 26 5.641 10.962 -24.292 210 HG13 VAL 26 HG13 VAL 26 5.827 9.769 -22.996 211 HG21 VAL 26 HG21 VAL 26 3.022 12.991 -22.732 212 HG22 VAL 26 HG22 VAL 26 4.166 12.852 -24.084 213 HG23 VAL 26 HG23 VAL 26 2.804 11.718 -23.950 214 H LEU 27 H LEU 27 4.515 10.737 -19.194 215 HA LEU 27 HA LEU 27 6.109 8.303 -19.305 216 HB2 LEU 27 HB2 LEU 27 6.814 10.472 -18.264 217 HB3 LEU 27 HB3 LEU 27 5.573 10.245 -17.024 218 HG LEU 27 HG LEU 27 6.734 8.196 -16.245 219 HD11 LEU 27 HD11 LEU 27 8.748 8.920 -18.419 220 HD12 LEU 27 HD12 LEU 27 9.023 7.723 -17.135 221 HD13 LEU 27 HD13 LEU 27 7.760 7.438 -18.350 222 HD21 LEU 27 HD21 LEU 27 8.734 9.338 -15.358 223 HD22 LEU 27 HD22 LEU 27 8.534 10.636 -16.557 224 HD23 LEU 27 HD23 LEU 27 7.305 10.390 -15.294 225 H ASP 28 H ASP 28 2.866 8.795 -18.949 226 HA ASP 28 HA ASP 28 1.143 7.771 -17.950 227 HB2 ASP 28 HB2 ASP 28 2.118 5.941 -19.326 228 HB3 ASP 28 HB3 ASP 28 2.991 5.367 -17.902 229 H LYS 29 H LYS 29 2.936 9.215 -16.223 230 HA LYS 29 HA LYS 29 3.055 7.688 -13.710 231 HB2 LYS 29 HB2 LYS 29 4.573 9.742 -14.975 232 HB3 LYS 29 HB3 LYS 29 3.853 10.474 -13.534 233 HG2 LYS 29 HG2 LYS 29 5.452 7.881 -13.562 234 HG3 LYS 29 HG3 LYS 29 6.092 9.474 -13.114 235 HD2 LYS 29 HD2 LYS 29 4.331 9.626 -11.326 236 HD3 LYS 29 HD3 LYS 29 3.897 7.936 -11.670 237 HE2 LYS 29 HE2 LYS 29 6.676 8.907 -10.892 238 HE3 LYS 29 HE3 LYS 29 5.497 8.201 -9.779 239 HZ1 LYS 29 HZ1 LYS 29 6.722 6.882 -12.117 240 HZ2 LYS 29 HZ2 LYS 29 7.008 6.541 -10.527 241 HZ3 LYS 29 HZ3 LYS 29 5.545 6.205 -11.191 242 H THR 30 H THR 30 2.143 8.557 -11.687 243 HA THR 30 HA THR 30 -0.414 9.937 -12.186 244 HB THR 30 HB THR 30 0.718 8.600 -9.700 245 HG1 THR 30 HG1 THR 30 -0.818 7.025 -10.284 246 HG21 THR 30 HG21 THR 30 -1.622 8.737 -8.887 247 HG22 THR 30 HG22 THR 30 -0.920 10.352 -9.112 248 HG23 THR 30 HG23 THR 30 -2.059 9.704 -10.317 249 HA PRO 31 HA PRO 31 1.595 13.724 -10.793 250 HB2 PRO 31 HB2 PRO 31 -0.386 15.470 -11.355 251 HB3 PRO 31 HB3 PRO 31 0.494 14.618 -12.672 252 HG2 PRO 31 HG2 PRO 31 -2.165 13.839 -11.420 253 HG3 PRO 31 HG3 PRO 31 -1.784 14.041 -13.160 254 HD2 PRO 31 HD2 PRO 31 -1.707 11.599 -11.920 255 HD3 PRO 31 HD3 PRO 31 -0.546 12.028 -13.213 256 H VAL 32 H VAL 32 1.228 15.345 -9.091 257 HA VAL 32 HA VAL 32 -1.015 14.778 -7.237 258 HB VAL 32 HB VAL 32 0.520 14.833 -5.301 259 HG11 VAL 32 HG11 VAL 32 -0.289 12.685 -6.461 260 HG12 VAL 32 HG12 VAL 32 1.361 12.572 -7.134 261 HG13 VAL 32 HG13 VAL 32 1.101 12.588 -5.368 262 HG21 VAL 32 HG21 VAL 32 2.696 14.572 -7.421 263 HG22 VAL 32 HG22 VAL 32 2.470 15.950 -6.314 264 HG23 VAL 32 HG23 VAL 32 2.939 14.360 -5.680 265 H GLY 33 H GLY 33 1.269 17.039 -8.646 266 HA2 GLY 33 HA2 GLY 33 -0.284 19.262 -8.206 267 HA3 GLY 33 HA3 GLY 33 0.699 19.167 -6.746 268 H THR 34 H THR 34 0.955 21.368 -8.191 269 HA THR 34 HA THR 34 3.742 21.196 -9.185 270 HB THR 34 HB THR 34 3.188 22.877 -10.939 271 HG1 THR 34 HG1 THR 34 1.225 23.603 -10.002 272 HG21 THR 34 HG21 THR 34 2.154 21.346 -12.531 273 HG22 THR 34 HG22 THR 34 3.299 20.449 -11.509 274 HG23 THR 34 HG23 THR 34 1.557 20.317 -11.204 275 H VAL 35 H VAL 35 4.990 22.987 -8.556 276 HA VAL 35 HA VAL 35 3.593 25.180 -7.140 277 HB VAL 35 HB VAL 35 5.169 25.004 -5.237 278 HG11 VAL 35 HG11 VAL 35 4.024 23.159 -4.109 279 HG12 VAL 35 HG12 VAL 35 2.873 24.094 -5.085 280 HG13 VAL 35 HG13 VAL 35 3.462 22.515 -5.662 281 HG21 VAL 35 HG21 VAL 35 5.822 22.260 -6.406 282 HG22 VAL 35 HG22 VAL 35 6.937 23.655 -6.347 283 HG23 VAL 35 HG23 VAL 35 6.366 22.895 -4.846 284 H ASP 36 H ASP 36 4.905 27.041 -6.766 285 HA ASP 36 HA ASP 36 6.796 27.431 -9.001 286 HB2 ASP 36 HB2 ASP 36 4.780 28.859 -8.745 287 HB3 ASP 36 HB3 ASP 36 5.382 29.404 -7.175 288 H THR 37 H THR 37 6.954 26.717 -5.693 289 HA THR 37 HA THR 37 9.777 27.517 -5.583 290 HB THR 37 HB THR 37 8.667 29.549 -4.809 291 HG1 THR 37 HG1 THR 37 9.681 29.618 -2.803 292 HG21 THR 37 HG21 THR 37 6.515 28.573 -4.051 293 HG22 THR 37 HG22 THR 37 7.352 27.766 -2.709 294 HG23 THR 37 HG23 THR 37 7.272 29.541 -2.771 295 H VAL 38 H VAL 38 10.858 26.624 -3.655 296 HA VAL 38 HA VAL 38 10.081 23.886 -3.272 297 HB VAL 38 HB VAL 38 12.027 23.777 -1.784 298 HG11 VAL 38 HG11 VAL 38 12.590 25.441 -4.277 299 HG12 VAL 38 HG12 VAL 38 13.735 24.388 -3.428 300 HG13 VAL 38 HG13 VAL 38 12.321 23.682 -4.246 301 HG21 VAL 38 HG21 VAL 38 11.811 25.975 -0.668 302 HG22 VAL 38 HG22 VAL 38 13.422 25.766 -1.380 303 HG23 VAL 38 HG23 VAL 38 12.224 26.792 -2.197 304 H ALA 39 H ALA 39 9.352 26.842 -1.523 305 HA ALA 39 HA ALA 39 8.754 25.581 1.002 306 HB1 ALA 39 HB1 ALA 39 7.772 28.193 -0.225 307 HB2 ALA 39 HB2 ALA 39 7.643 27.735 1.488 308 HB3 ALA 39 HB3 ALA 39 9.242 27.990 0.761 309 H GLY 40 H GLY 40 7.026 26.017 -2.052 310 HA2 GLY 40 HA2 GLY 40 4.419 25.301 -0.973 311 HA3 GLY 40 HA3 GLY 40 4.890 25.419 -2.684 312 H ALA 41 H ALA 41 7.250 23.594 -2.311 313 HA ALA 41 HA ALA 41 5.888 21.103 -2.772 314 HB1 ALA 41 HB1 ALA 41 8.827 21.706 -2.218 315 HB2 ALA 41 HB2 ALA 41 8.185 20.189 -2.875 316 HB3 ALA 41 HB3 ALA 41 8.051 21.691 -3.817 317 H LEU 42 H LEU 42 7.478 22.626 0.029 318 HA LEU 42 HA LEU 42 7.381 20.273 1.688 319 HB2 LEU 42 HB2 LEU 42 8.950 22.147 2.031 320 HB3 LEU 42 HB3 LEU 42 7.591 23.236 2.357 321 HG LEU 42 HG LEU 42 6.985 21.924 4.359 322 HD11 LEU 42 HD11 LEU 42 9.464 20.284 3.653 323 HD12 LEU 42 HD12 LEU 42 8.575 20.190 5.192 324 HD13 LEU 42 HD13 LEU 42 7.783 19.695 3.688 325 HD21 LEU 42 HD21 LEU 42 8.563 23.814 4.534 326 HD22 LEU 42 HD22 LEU 42 8.947 22.550 5.721 327 HD23 LEU 42 HD23 LEU 42 9.926 22.710 4.244 328 H ALA 43 H ALA 43 5.127 22.928 0.933 329 HA ALA 43 HA ALA 43 3.320 22.405 3.106 330 HB1 ALA 43 HB1 ALA 43 3.430 24.550 1.883 331 HB2 ALA 43 HB2 ALA 43 2.865 23.743 0.404 332 HB3 ALA 43 HB3 ALA 43 1.797 23.842 1.819 333 H ARG 44 H ARG 44 3.831 20.919 -0.055 334 HA ARG 44 HA ARG 44 1.261 19.488 0.036 335 HB2 ARG 44 HB2 ARG 44 3.667 19.314 -1.805 336 HB3 ARG 44 HB3 ARG 44 2.178 18.384 -2.017 337 HG2 ARG 44 HG2 ARG 44 2.305 21.429 -1.967 338 HG3 ARG 44 HG3 ARG 44 2.302 20.451 -3.444 339 HD2 ARG 44 HD2 ARG 44 0.089 20.454 -1.348 340 HD3 ARG 44 HD3 ARG 44 0.060 21.349 -2.868 341 HE ARG 44 HE ARG 44 0.194 19.164 -4.060 342 HH11 ARG 44 HH11 ARG 44 -0.998 19.227 -0.730 343 HH12 ARG 44 HH12 ARG 44 -1.888 17.736 -0.898 344 HH21 ARG 44 HH21 ARG 44 -1.041 17.274 -4.278 345 HH22 ARG 44 HH22 ARG 44 -1.923 16.641 -2.907 346 H VAL 45 H VAL 45 4.560 18.994 1.131 347 HA VAL 45 HA VAL 45 4.289 16.101 1.379 348 HB VAL 45 HB VAL 45 6.278 18.150 2.418 349 HG11 VAL 45 HG11 VAL 45 6.297 15.124 2.803 350 HG12 VAL 45 HG12 VAL 45 7.676 16.207 3.100 351 HG13 VAL 45 HG13 VAL 45 6.212 16.359 4.086 352 HG21 VAL 45 HG21 VAL 45 6.302 17.556 -0.018 353 HG22 VAL 45 HG22 VAL 45 7.769 17.000 0.825 354 HG23 VAL 45 HG23 VAL 45 6.473 15.849 0.418 355 H GLU 46 H GLU 46 3.419 18.913 3.333 356 HA GLU 46 HA GLU 46 3.010 17.404 5.771 357 HB2 GLU 46 HB2 GLU 46 2.017 20.109 4.801 358 HB3 GLU 46 HB3 GLU 46 1.707 19.463 6.425 359 HG2 GLU 46 HG2 GLU 46 4.468 19.930 5.244 360 HG3 GLU 46 HG3 GLU 46 3.640 21.012 6.373 361 H ASP 47 H ASP 47 1.311 17.616 2.791 362 HA ASP 47 HA ASP 47 -1.259 16.811 4.016 363 HB2 ASP 47 HB2 ASP 47 -1.204 18.584 2.295 364 HB3 ASP 47 HB3 ASP 47 -0.489 17.448 1.143 365 H GLY 48 H GLY 48 1.588 15.405 2.739 366 HA2 GLY 48 HA2 GLY 48 2.153 13.196 2.411 367 HA3 GLY 48 HA3 GLY 48 0.546 12.742 2.991 368 H GLY 49 H GLY 49 0.952 11.072 1.228 369 HA2 GLY 49 HA2 GLY 49 0.067 10.215 -0.711 370 HA3 GLY 49 HA3 GLY 49 -0.609 11.804 -1.099 371 H ILE 50 H ILE 50 2.749 11.983 -0.394 372 HA ILE 50 HA ILE 50 3.494 11.718 -3.268 373 HB ILE 50 HB ILE 50 4.371 13.935 -1.372 374 HG12 ILE 50 HG12 ILE 50 2.355 13.920 -3.652 375 HG13 ILE 50 HG13 ILE 50 2.026 14.220 -1.946 376 HG21 ILE 50 HG21 ILE 50 4.853 13.534 -4.357 377 HG22 ILE 50 HG22 ILE 50 5.405 14.916 -3.384 378 HG23 ILE 50 HG23 ILE 50 6.066 13.314 -3.071 379 HD11 ILE 50 HD11 ILE 50 2.056 16.341 -3.107 380 HD12 ILE 50 HD12 ILE 50 3.478 16.251 -2.042 381 HD13 ILE 50 HD13 ILE 50 3.656 16.006 -3.797 382 H ASP 51 H ASP 51 5.672 10.995 -3.623 383 HA ASP 51 HA ASP 51 7.023 10.049 -1.133 384 HB2 ASP 51 HB2 ASP 51 5.695 8.354 -2.720 385 HB3 ASP 51 HB3 ASP 51 7.160 8.462 -3.682 386 H ALA 52 H ALA 52 7.312 11.654 -4.215 387 HA ALA 52 HA ALA 52 10.111 12.257 -3.638 388 HB1 ALA 52 HB1 ALA 52 10.380 10.129 -4.791 389 HB2 ALA 52 HB2 ALA 52 9.303 10.660 -6.101 390 HB3 ALA 52 HB3 ALA 52 10.884 11.446 -5.868 391 H ALA 53 H ALA 53 10.982 13.764 -5.419 392 HA ALA 53 HA ALA 53 8.904 15.194 -6.934 393 HB1 ALA 53 HB1 ALA 53 9.416 17.357 -5.846 394 HB2 ALA 53 HB2 ALA 53 8.755 16.192 -4.678 395 HB3 ALA 53 HB3 ALA 53 10.500 16.529 -4.710 396 H ILE 54 H ILE 54 9.811 16.873 -8.336 397 HA ILE 54 HA ILE 54 12.702 16.449 -8.942 398 HB ILE 54 HB ILE 54 10.447 17.363 -10.768 399 HG12 ILE 54 HG12 ILE 54 10.232 14.984 -10.233 400 HG13 ILE 54 HG13 ILE 54 10.698 15.224 -11.917 401 HG21 ILE 54 HG21 ILE 54 12.180 17.079 -12.553 402 HG22 ILE 54 HG22 ILE 54 12.560 18.375 -11.405 403 HG23 ILE 54 HG23 ILE 54 13.401 16.817 -11.280 404 HD11 ILE 54 HD11 ILE 54 13.049 14.664 -11.360 405 HD12 ILE 54 HD12 ILE 54 12.586 14.435 -9.654 406 HD13 ILE 54 HD13 ILE 54 11.945 13.355 -10.901 407 H LEU 55 H LEU 55 14.036 18.202 -8.815 408 HA LEU 55 HA LEU 55 12.739 20.769 -8.001 409 HB2 LEU 55 HB2 LEU 55 15.243 19.333 -7.091 410 HB3 LEU 55 HB3 LEU 55 15.063 21.071 -6.890 411 HG LEU 55 HG LEU 55 14.503 19.778 -4.858 412 HD11 LEU 55 HD11 LEU 55 13.565 22.026 -5.284 413 HD12 LEU 55 HD12 LEU 55 12.143 21.285 -6.057 414 HD13 LEU 55 HD13 LEU 55 12.455 21.014 -4.331 415 HD21 LEU 55 HD21 LEU 55 13.401 17.826 -6.005 416 HD22 LEU 55 HD22 LEU 55 12.492 18.505 -4.642 417 HD23 LEU 55 HD23 LEU 55 11.985 18.875 -6.298 418 H ASP 56 H ASP 56 13.013 22.437 -9.337 419 HA ASP 56 HA ASP 56 15.105 22.402 -11.379 420 HB2 ASP 56 HB2 ASP 56 12.954 23.372 -11.933 421 HB3 ASP 56 HB3 ASP 56 13.051 24.481 -10.546 422 H VAL 57 H VAL 57 17.091 23.263 -11.210 423 HA VAL 57 HA VAL 57 17.767 24.740 -8.734 424 HB VAL 57 HB VAL 57 19.575 23.447 -10.808 425 HG11 VAL 57 HG11 VAL 57 20.122 24.540 -8.013 426 HG12 VAL 57 HG12 VAL 57 21.268 23.594 -8.982 427 HG13 VAL 57 HG13 VAL 57 20.749 25.190 -9.545 428 HG21 VAL 57 HG21 VAL 57 18.209 21.753 -9.686 429 HG22 VAL 57 HG22 VAL 57 19.857 21.691 -9.040 430 HG23 VAL 57 HG23 VAL 57 18.568 22.475 -8.099 431 H ASN 58 H ASN 58 17.003 25.318 -12.004 432 HA ASN 58 HA ASN 58 18.805 27.589 -12.332 433 HB2 ASN 58 HB2 ASN 58 18.171 25.974 -14.170 434 HB3 ASN 58 HB3 ASN 58 16.547 26.668 -14.135 435 HD21 ASN 58 HD21 ASN 58 18.084 28.559 -16.821 436 HD22 ASN 58 HD22 ASN 58 17.277 27.043 -16.492 437 H LEU 59 H LEU 59 17.268 27.938 -10.065 438 HA LEU 59 HA LEU 59 14.840 29.390 -10.520 439 HB2 LEU 59 HB2 LEU 59 16.750 29.445 -8.153 440 HB3 LEU 59 HB3 LEU 59 15.080 30.010 -8.147 441 HG LEU 59 HG LEU 59 15.973 27.136 -8.640 442 HD11 LEU 59 HD11 LEU 59 14.616 28.434 -6.243 443 HD12 LEU 59 HD12 LEU 59 15.003 26.709 -6.423 444 HD13 LEU 59 HD13 LEU 59 16.316 27.906 -6.317 445 HD21 LEU 59 HD21 LEU 59 13.559 26.606 -8.387 446 HD22 LEU 59 HD22 LEU 59 13.192 28.342 -8.299 447 HD23 LEU 59 HD23 LEU 59 13.849 27.646 -9.797 448 H ARG 60 H ARG 60 14.401 31.585 -10.423 449 HA ARG 60 HA ARG 60 16.505 33.360 -11.406 450 HB2 ARG 60 HB2 ARG 60 13.566 33.744 -10.760 451 HB3 ARG 60 HB3 ARG 60 14.605 35.009 -11.443 452 HG2 ARG 60 HG2 ARG 60 15.016 33.721 -13.447 453 HG3 ARG 60 HG3 ARG 60 14.197 32.300 -12.772 454 HD2 ARG 60 HD2 ARG 60 12.857 34.984 -13.296 455 HD3 ARG 60 HD3 ARG 60 12.780 33.585 -14.385 456 HE ARG 60 HE ARG 60 11.953 32.536 -11.993 457 HH11 ARG 60 HH11 ARG 60 10.880 35.330 -13.878 458 HH12 ARG 60 HH12 ARG 60 9.227 35.214 -13.311 459 HH21 ARG 60 HH21 ARG 60 9.832 32.424 -11.268 460 HH22 ARG 60 HH22 ARG 60 8.636 33.582 -11.813 461 H GLY 61 H GLY 61 17.145 35.322 -10.416 462 HA2 GLY 61 HA2 GLY 61 17.022 36.859 -8.537 463 HA3 GLY 61 HA3 GLY 61 16.676 35.489 -7.471 464 H GLY 62 H GLY 62 18.928 34.161 -9.426 465 HA2 GLY 62 HA2 GLY 62 21.242 34.180 -9.580 466 HA3 GLY 62 HA3 GLY 62 21.319 35.554 -8.469 467 H GLU 63 H GLU 63 19.340 33.212 -7.026 468 HA GLU 63 HA GLU 63 21.668 31.845 -5.779 469 HB2 GLU 63 HB2 GLU 63 20.712 31.992 -3.628 470 HB3 GLU 63 HB3 GLU 63 20.746 33.628 -4.294 471 HG2 GLU 63 HG2 GLU 63 18.286 31.818 -4.287 472 HG3 GLU 63 HG3 GLU 63 18.656 32.999 -3.032 473 H LYS 64 H LYS 64 20.826 29.890 -4.424 474 HA LYS 64 HA LYS 64 18.829 28.405 -6.064 475 HB2 LYS 64 HB2 LYS 64 20.215 26.417 -5.852 476 HB3 LYS 64 HB3 LYS 64 21.136 27.728 -6.606 477 HG2 LYS 64 HG2 LYS 64 22.183 28.238 -4.400 478 HG3 LYS 64 HG3 LYS 64 21.291 26.885 -3.673 479 HD2 LYS 64 HD2 LYS 64 22.397 25.324 -5.263 480 HD3 LYS 64 HD3 LYS 64 23.319 26.688 -5.935 481 HE2 LYS 64 HE2 LYS 64 24.281 27.136 -3.696 482 HE3 LYS 64 HE3 LYS 64 23.380 25.759 -3.036 483 HZ1 LYS 64 HZ1 LYS 64 25.638 25.163 -3.573 484 HZ2 LYS 64 HZ2 LYS 64 24.599 24.330 -4.534 485 HZ3 LYS 64 HZ3 LYS 64 25.432 25.609 -5.145 486 H SER 65 H SER 65 17.982 26.455 -4.927 487 HA SER 65 HA SER 65 17.687 26.924 -2.001 488 HB2 SER 65 HB2 SER 65 15.435 26.325 -3.956 489 HB3 SER 65 HB3 SER 65 15.290 26.444 -2.189 490 HG SER 65 HG SER 65 16.115 28.508 -3.965 491 H THR 66 H THR 66 19.278 24.981 -3.724 492 HA THR 66 HA THR 66 18.027 22.433 -3.560 493 HB THR 66 HB THR 66 20.355 21.578 -3.906 494 HG1 THR 66 HG1 THR 66 21.960 23.127 -4.210 495 HG21 THR 66 HG21 THR 66 19.532 23.917 -5.690 496 HG22 THR 66 HG22 THR 66 20.614 22.584 -6.140 497 HG23 THR 66 HG23 THR 66 18.900 22.255 -5.800 498 HA PRO 67 HA PRO 67 20.424 22.019 0.654 499 HB2 PRO 67 HB2 PRO 67 19.371 24.596 1.800 500 HB3 PRO 67 HB3 PRO 67 20.894 23.728 2.191 501 HG2 PRO 67 HG2 PRO 67 20.978 25.914 0.612 502 HG3 PRO 67 HG3 PRO 67 21.903 24.448 0.134 503 HD2 PRO 67 HD2 PRO 67 19.163 25.320 -0.823 504 HD3 PRO 67 HD3 PRO 67 20.580 24.817 -1.798 505 H VAL 68 H VAL 68 17.274 23.250 -0.248 506 HA VAL 68 HA VAL 68 15.919 22.244 2.139 507 HB VAL 68 HB VAL 68 14.829 23.228 -0.530 508 HG11 VAL 68 HG11 VAL 68 13.493 22.787 2.176 509 HG12 VAL 68 HG12 VAL 68 12.742 23.597 0.779 510 HG13 VAL 68 HG13 VAL 68 13.165 21.883 0.676 511 HG21 VAL 68 HG21 VAL 68 16.123 24.972 0.648 512 HG22 VAL 68 HG22 VAL 68 14.389 25.324 0.761 513 HG23 VAL 68 HG23 VAL 68 15.244 24.628 2.155 514 H ALA 69 H ALA 69 16.985 20.967 -0.947 515 HA ALA 69 HA ALA 69 15.063 18.842 -1.141 516 HB1 ALA 69 HB1 ALA 69 17.913 19.012 -2.208 517 HB2 ALA 69 HB2 ALA 69 16.630 17.928 -2.778 518 HB3 ALA 69 HB3 ALA 69 16.476 19.685 -3.014 519 H GLU 70 H GLU 70 18.008 19.355 0.734 520 HA GLU 70 HA GLU 70 18.422 16.559 1.366 521 HB2 GLU 70 HB2 GLU 70 19.429 19.107 2.697 522 HB3 GLU 70 HB3 GLU 70 19.998 17.464 3.053 523 HG2 GLU 70 HG2 GLU 70 20.677 17.198 0.674 524 HG3 GLU 70 HG3 GLU 70 20.167 18.863 0.349 525 H ALA 71 H ALA 71 16.283 19.071 2.566 526 HA ALA 71 HA ALA 71 15.776 17.733 5.108 527 HB1 ALA 71 HB1 ALA 71 14.179 19.843 3.590 528 HB2 ALA 71 HB2 ALA 71 13.938 19.363 5.283 529 HB3 ALA 71 HB3 ALA 71 15.443 20.171 4.799 530 H LEU 72 H LEU 72 14.478 17.690 1.785 531 HA LEU 72 HA LEU 72 12.220 16.002 2.436 532 HB2 LEU 72 HB2 LEU 72 13.723 16.398 -0.187 533 HB3 LEU 72 HB3 LEU 72 12.158 15.594 -0.005 534 HG LEU 72 HG LEU 72 12.733 18.518 0.645 535 HD11 LEU 72 HD11 LEU 72 11.158 17.207 -1.611 536 HD12 LEU 72 HD12 LEU 72 11.305 18.953 -1.314 537 HD13 LEU 72 HD13 LEU 72 12.738 18.005 -1.774 538 HD21 LEU 72 HD21 LEU 72 10.960 17.636 2.099 539 HD22 LEU 72 HD22 LEU 72 10.252 18.677 0.849 540 HD23 LEU 72 HD23 LEU 72 10.143 16.909 0.694 541 H ALA 73 H ALA 73 15.635 15.436 1.508 542 HA ALA 73 HA ALA 73 15.335 12.579 1.304 543 HB1 ALA 73 HB1 ALA 73 17.782 14.322 1.791 544 HB2 ALA 73 HB2 ALA 73 17.818 12.597 1.369 545 HB3 ALA 73 HB3 ALA 73 17.166 13.772 0.211 546 H ALA 74 H ALA 74 15.643 14.801 4.009 547 HA ALA 74 HA ALA 74 16.449 12.720 5.891 548 HB1 ALA 74 HB1 ALA 74 15.416 15.552 6.318 549 HB2 ALA 74 HB2 ALA 74 16.133 14.507 7.560 550 HB3 ALA 74 HB3 ALA 74 17.130 15.063 6.199 551 H ARG 75 H ARG 75 13.530 13.783 4.399 552 HA ARG 75 HA ARG 75 11.889 12.381 6.437 553 HB2 ARG 75 HB2 ARG 75 11.108 14.341 4.256 554 HB3 ARG 75 HB3 ARG 75 9.966 13.493 5.319 555 HG2 ARG 75 HG2 ARG 75 11.075 14.490 7.307 556 HG3 ARG 75 HG3 ARG 75 12.177 15.378 6.237 557 HD2 ARG 75 HD2 ARG 75 10.376 16.850 6.910 558 HD3 ARG 75 HD3 ARG 75 10.203 16.489 5.181 559 HE ARG 75 HE ARG 75 8.650 14.578 6.492 560 HH11 ARG 75 HH11 ARG 75 8.737 18.114 6.331 561 HH12 ARG 75 HH12 ARG 75 7.014 18.260 6.644 562 HH21 ARG 75 HH21 ARG 75 6.401 14.844 6.878 563 HH22 ARG 75 HH22 ARG 75 5.734 16.464 6.938 564 H ASP 76 H ASP 76 13.655 11.201 4.253 565 HA ASP 76 HA ASP 76 13.631 9.485 2.811 566 HB2 ASP 76 HB2 ASP 76 11.016 8.755 4.152 567 HB3 ASP 76 HB3 ASP 76 12.036 7.679 3.191 568 H ILE 77 H ILE 77 12.616 11.941 1.768 569 HA ILE 77 HA ILE 77 10.901 10.885 -0.441 570 HB ILE 77 HB ILE 77 11.088 13.674 0.745 571 HG12 ILE 77 HG12 ILE 77 8.815 11.647 0.563 572 HG13 ILE 77 HG13 ILE 77 9.734 12.041 2.026 573 HG21 ILE 77 HG21 ILE 77 9.400 12.708 -1.603 574 HG22 ILE 77 HG22 ILE 77 9.454 14.355 -0.931 575 HG23 ILE 77 HG23 ILE 77 10.868 13.697 -1.760 576 HD11 ILE 77 HD11 ILE 77 7.920 13.937 0.482 577 HD12 ILE 77 HD12 ILE 77 7.633 13.238 2.083 578 HD13 ILE 77 HD13 ILE 77 8.953 14.405 1.857 579 HA PRO 78 HA PRO 78 15.033 11.527 -2.267 580 HB2 PRO 78 HB2 PRO 78 13.674 9.988 -4.452 581 HB3 PRO 78 HB3 PRO 78 15.305 9.742 -3.739 582 HG2 PRO 78 HG2 PRO 78 13.265 8.076 -3.095 583 HG3 PRO 78 HG3 PRO 78 14.369 8.684 -1.810 584 HD2 PRO 78 HD2 PRO 78 11.646 9.763 -2.595 585 HD3 PRO 78 HD3 PRO 78 12.264 9.352 -0.960 586 H PHE 79 H PHE 79 15.778 12.569 -4.270 587 HA PHE 79 HA PHE 79 13.740 13.983 -5.862 588 HB2 PHE 79 HB2 PHE 79 14.738 16.165 -5.402 589 HB3 PHE 79 HB3 PHE 79 14.125 15.435 -3.917 590 HD1 PHE 79 HD1 PHE 79 15.602 14.887 -2.092 591 HD2 PHE 79 HD2 PHE 79 17.197 16.254 -5.846 592 HE1 PHE 79 HE1 PHE 79 17.825 15.244 -1.032 593 HE2 PHE 79 HE2 PHE 79 19.415 16.575 -4.783 594 HZ PHE 79 HZ PHE 79 19.711 16.086 -2.359 595 H VAL 80 H VAL 80 14.828 15.333 -7.596 596 HA VAL 80 HA VAL 80 17.552 14.439 -8.348 597 HB VAL 80 HB VAL 80 15.108 14.284 -10.166 598 HG11 VAL 80 HG11 VAL 80 18.049 13.716 -10.714 599 HG12 VAL 80 HG12 VAL 80 16.710 13.362 -11.826 600 HG13 VAL 80 HG13 VAL 80 17.077 15.041 -11.405 601 HG21 VAL 80 HG21 VAL 80 15.239 12.354 -8.643 602 HG22 VAL 80 HG22 VAL 80 15.682 11.865 -10.289 603 HG23 VAL 80 HG23 VAL 80 16.951 12.117 -9.070 604 H PHE 81 H PHE 81 18.688 16.037 -9.512 605 HA PHE 81 HA PHE 81 17.510 18.726 -9.334 606 HB2 PHE 81 HB2 PHE 81 20.251 17.728 -10.176 607 HB3 PHE 81 HB3 PHE 81 19.792 19.423 -10.081 608 HD1 PHE 81 HD1 PHE 81 18.240 19.394 -7.457 609 HD2 PHE 81 HD2 PHE 81 21.972 17.588 -8.614 610 HE1 PHE 81 HE1 PHE 81 19.026 19.498 -5.112 611 HE2 PHE 81 HE2 PHE 81 22.772 17.728 -6.275 612 HZ PHE 81 HZ PHE 81 21.290 18.678 -4.517 613 H ALA 82 H ALA 82 17.457 20.226 -11.065 614 HA ALA 82 HA ALA 82 17.894 19.164 -13.792 615 HB1 ALA 82 HB1 ALA 82 15.771 20.138 -14.566 616 HB2 ALA 82 HB2 ALA 82 15.487 18.870 -13.354 617 HB3 ALA 82 HB3 ALA 82 15.357 20.585 -12.894 618 H THR 83 H THR 83 19.121 20.562 -14.925 619 HA THR 83 HA THR 83 18.834 23.442 -14.655 620 HB THR 83 HB THR 83 20.215 22.850 -12.659 621 HG1 THR 83 HG1 THR 83 20.546 24.839 -13.595 622 HG21 THR 83 HG21 THR 83 22.522 22.068 -12.960 623 HG22 THR 83 HG22 THR 83 21.378 20.865 -13.589 624 HG23 THR 83 HG23 THR 83 22.267 21.919 -14.712 625 H GLY 84 H GLY 84 20.364 24.601 -16.142 626 HA2 GLY 84 HA2 GLY 84 21.377 22.830 -18.332 627 HA3 GLY 84 HA3 GLY 84 20.597 24.397 -18.625 628 H GLY 85 H GLY 85 23.498 22.738 -17.592 629 HA2 GLY 85 HA2 GLY 85 25.436 24.363 -18.419 630 HA3 GLY 85 HA3 GLY 85 24.951 25.224 -16.951 631 H SER 86 H SER 86 27.526 24.206 -17.205 632 HA SER 86 HA SER 86 27.551 22.288 -14.963 633 HB2 SER 86 HB2 SER 86 29.033 21.799 -17.576 634 HB3 SER 86 HB3 SER 86 29.194 20.824 -16.100 635 HG SER 86 HG SER 86 27.720 19.918 -17.601 636 H ASP 87 H ASP 87 28.217 25.189 -15.383 637 HA ASP 87 HA ASP 87 31.170 25.103 -15.017 638 HB2 ASP 87 HB2 ASP 87 30.336 26.500 -16.848 639 HB3 ASP 87 HB3 ASP 87 29.332 27.414 -15.706 640 H ASP 88 H ASP 88 28.231 26.687 -13.632 641 HA ASP 88 HA ASP 88 29.608 26.658 -10.990 642 HB2 ASP 88 HB2 ASP 88 29.833 28.892 -12.082 643 HB3 ASP 88 HB3 ASP 88 28.071 29.004 -12.167 644 H SER 89 H SER 89 26.935 25.733 -12.802 645 HA SER 89 HA SER 89 24.943 26.161 -10.698 646 HB2 SER 89 HB2 SER 89 23.416 25.123 -12.364 647 HB3 SER 89 HB3 SER 89 24.299 26.526 -13.001 648 HG SER 89 HG SER 89 24.285 24.682 -14.402 649 H VAL 90 H VAL 90 27.398 24.014 -10.905 650 HA VAL 90 HA VAL 90 25.826 21.886 -9.578 651 HB VAL 90 HB VAL 90 27.135 20.157 -10.796 652 HG11 VAL 90 HG11 VAL 90 24.819 20.791 -11.441 653 HG12 VAL 90 HG12 VAL 90 25.480 21.973 -12.594 654 HG13 VAL 90 HG13 VAL 90 25.785 20.238 -12.823 655 HG21 VAL 90 HG21 VAL 90 27.920 22.474 -12.624 656 HG22 VAL 90 HG22 VAL 90 29.029 21.584 -11.550 657 HG23 VAL 90 HG23 VAL 90 28.243 20.749 -12.902 658 H ASP 91 H ASP 91 27.036 20.491 -8.246 659 HA ASP 91 HA ASP 91 29.736 21.323 -7.394 660 HB2 ASP 91 HB2 ASP 91 28.103 22.757 -6.165 661 HB3 ASP 91 HB3 ASP 91 27.284 21.301 -5.582 662 H SER 92 H SER 92 30.217 19.738 -5.315 663 HA SER 92 HA SER 92 30.333 17.138 -6.388 664 HB2 SER 92 HB2 SER 92 30.522 18.064 -3.496 665 HB3 SER 92 HB3 SER 92 31.040 16.476 -4.105 666 HG SER 92 HG SER 92 32.053 19.020 -4.879 667 H ARG 93 H ARG 93 27.664 18.687 -4.729 668 HA ARG 93 HA ARG 93 26.429 16.223 -3.814 669 HB2 ARG 93 HB2 ARG 93 25.164 18.940 -4.331 670 HB3 ARG 93 HB3 ARG 93 24.514 17.632 -3.329 671 HG2 ARG 93 HG2 ARG 93 27.014 19.285 -2.801 672 HG3 ARG 93 HG3 ARG 93 25.497 19.331 -1.898 673 HD2 ARG 93 HD2 ARG 93 27.432 16.980 -2.056 674 HD3 ARG 93 HD3 ARG 93 27.215 18.055 -0.679 675 HE ARG 93 HE ARG 93 25.518 15.820 -1.459 676 HH11 ARG 93 HH11 ARG 93 25.629 18.877 0.333 677 HH12 ARG 93 HH12 ARG 93 24.249 18.455 1.326 678 HH21 ARG 93 HH21 ARG 93 23.748 15.315 -0.098 679 HH22 ARG 93 HH22 ARG 93 23.237 16.475 1.116 680 H PHE 94 H PHE 94 26.545 17.997 -6.824 681 HA PHE 94 HA PHE 94 24.301 16.558 -8.053 682 HB2 PHE 94 HB2 PHE 94 26.467 18.359 -9.194 683 HB3 PHE 94 HB3 PHE 94 25.058 17.771 -10.077 684 HD1 PHE 94 HD1 PHE 94 25.939 19.698 -6.962 685 HD2 PHE 94 HD2 PHE 94 23.202 19.156 -10.230 686 HE1 PHE 94 HE1 PHE 94 24.675 21.709 -6.240 687 HE2 PHE 94 HE2 PHE 94 21.958 21.179 -9.529 688 HZ PHE 94 HZ PHE 94 22.689 22.455 -7.531 689 H ARG 95 H ARG 95 27.688 16.158 -7.463 690 HA ARG 95 HA ARG 95 28.048 14.114 -9.551 691 HB2 ARG 95 HB2 ARG 95 29.897 14.991 -7.293 692 HB3 ARG 95 HB3 ARG 95 30.337 14.023 -8.702 693 HG2 ARG 95 HG2 ARG 95 29.342 16.915 -8.751 694 HG3 ARG 95 HG3 ARG 95 31.022 16.401 -8.943 695 HD2 ARG 95 HD2 ARG 95 28.721 15.685 -10.808 696 HD3 ARG 95 HD3 ARG 95 29.972 16.901 -11.114 697 HE ARG 95 HE ARG 95 31.317 14.488 -10.576 698 HH11 ARG 95 HH11 ARG 95 29.073 15.750 -12.995 699 HH12 ARG 95 HH12 ARG 95 29.667 14.706 -14.266 700 HH21 ARG 95 HH21 ARG 95 32.075 13.134 -12.252 701 HH22 ARG 95 HH22 ARG 95 31.366 13.230 -13.845 702 H ASP 96 H ASP 96 26.764 14.315 -6.408 703 HA ASP 96 HA ASP 96 27.173 11.402 -5.957 704 HB2 ASP 96 HB2 ASP 96 28.063 12.954 -4.233 705 HB3 ASP 96 HB3 ASP 96 26.432 13.593 -3.986 706 H ARG 97 H ARG 97 24.860 13.677 -7.029 707 HA ARG 97 HA ARG 97 22.725 11.660 -6.620 708 HB2 ARG 97 HB2 ARG 97 22.549 13.498 -4.898 709 HB3 ARG 97 HB3 ARG 97 22.383 14.663 -6.224 710 HG2 ARG 97 HG2 ARG 97 20.183 14.167 -5.407 711 HG3 ARG 97 HG3 ARG 97 20.343 13.393 -6.992 712 HD2 ARG 97 HD2 ARG 97 20.982 11.248 -5.743 713 HD3 ARG 97 HD3 ARG 97 20.519 12.084 -4.247 714 HE ARG 97 HE ARG 97 18.328 12.420 -5.876 715 HH11 ARG 97 HH11 ARG 97 20.141 9.595 -4.762 716 HH12 ARG 97 HH12 ARG 97 18.776 8.516 -4.926 717 HH21 ARG 97 HH21 ARG 97 16.599 11.014 -6.103 718 HH22 ARG 97 HH22 ARG 97 16.754 9.323 -5.664 719 HA PRO 98 HA PRO 98 22.359 12.055 -10.977 720 HB2 PRO 98 HB2 PRO 98 19.400 11.776 -10.467 721 HB3 PRO 98 HB3 PRO 98 20.421 10.934 -11.682 722 HG2 PRO 98 HG2 PRO 98 19.747 9.648 -9.411 723 HG3 PRO 98 HG3 PRO 98 21.457 9.599 -9.960 724 HD2 PRO 98 HD2 PRO 98 20.217 11.406 -7.878 725 HD3 PRO 98 HD3 PRO 98 21.733 10.448 -7.785 726 H VAL 99 H VAL 99 21.626 13.355 -12.697 727 HA VAL 99 HA VAL 99 20.268 15.899 -12.000 728 HB VAL 99 HB VAL 99 21.968 17.156 -13.251 729 HG11 VAL 99 HG11 VAL 99 23.763 17.085 -11.617 730 HG12 VAL 99 HG12 VAL 99 22.193 16.922 -10.800 731 HG13 VAL 99 HG13 VAL 99 23.229 15.492 -11.040 732 HG21 VAL 99 HG21 VAL 99 22.803 15.353 -14.731 733 HG22 VAL 99 HG22 VAL 99 24.127 16.127 -13.839 734 HG23 VAL 99 HG23 VAL 99 23.530 14.539 -13.323 735 H LEU 100 H LEU 100 19.380 17.009 -13.805 736 HA LEU 100 HA LEU 100 19.239 15.472 -16.338 737 HB2 LEU 100 HB2 LEU 100 17.239 15.022 -14.906 738 HB3 LEU 100 HB3 LEU 100 16.902 16.754 -14.869 739 HG LEU 100 HG LEU 100 16.621 16.739 -17.351 740 HD11 LEU 100 HD11 LEU 100 16.385 14.554 -18.496 741 HD12 LEU 100 HD12 LEU 100 18.042 14.801 -17.912 742 HD13 LEU 100 HD13 LEU 100 16.935 13.722 -17.024 743 HD21 LEU 100 HD21 LEU 100 14.692 16.467 -15.842 744 HD22 LEU 100 HD22 LEU 100 14.468 15.536 -17.336 745 HD23 LEU 100 HD23 LEU 100 14.942 14.705 -15.829 746 H GLN 101 H GLN 101 18.935 16.795 -18.219 747 HA GLN 101 HA GLN 101 20.017 19.469 -17.962 748 HB2 GLN 101 HB2 GLN 101 18.873 17.978 -20.363 749 HB3 GLN 101 HB3 GLN 101 19.692 19.548 -20.416 750 HG2 GLN 101 HG2 GLN 101 21.358 17.997 -21.006 751 HG3 GLN 101 HG3 GLN 101 21.705 18.448 -19.338 752 HE21 GLN 101 HE21 GLN 101 22.193 14.885 -19.108 753 HE22 GLN 101 HE22 GLN 101 23.012 16.398 -19.428 754 H LYS 102 H LYS 102 18.903 21.430 -18.908 755 HA LYS 102 HA LYS 102 16.348 21.639 -17.610 756 HB2 LYS 102 HB2 LYS 102 18.013 23.478 -17.718 757 HB3 LYS 102 HB3 LYS 102 17.728 23.631 -19.455 758 HG2 LYS 102 HG2 LYS 102 16.459 25.310 -18.223 759 HG3 LYS 102 HG3 LYS 102 15.345 24.182 -19.008 760 HD2 LYS 102 HD2 LYS 102 14.980 23.003 -16.887 761 HD3 LYS 102 HD3 LYS 102 16.213 24.003 -16.086 762 HE2 LYS 102 HE2 LYS 102 14.849 26.024 -16.527 763 HE3 LYS 102 HE3 LYS 102 13.628 25.021 -17.337 764 HZ1 LYS 102 HZ1 LYS 102 13.276 23.868 -15.279 765 HZ2 LYS 102 HZ2 LYS 102 14.440 24.748 -14.523 766 HZ3 LYS 102 HZ3 LYS 102 13.061 25.468 -15.038 767 HA PRO 103 HA PRO 103 14.524 21.519 -22.041 768 HB2 PRO 103 HB2 PRO 103 16.596 20.054 -23.593 769 HB3 PRO 103 HB3 PRO 103 15.618 21.474 -24.082 770 HG2 PRO 103 HG2 PRO 103 18.276 21.715 -23.517 771 HG3 PRO 103 HG3 PRO 103 17.103 22.975 -23.003 772 HD2 PRO 103 HD2 PRO 103 18.192 20.669 -21.364 773 HD3 PRO 103 HD3 PRO 103 18.130 22.414 -20.944 774 H PHE 104 H PHE 104 13.134 19.739 -22.379 775 HA PHE 104 HA PHE 104 14.058 17.164 -21.195 776 HB2 PHE 104 HB2 PHE 104 11.364 18.479 -21.470 777 HB3 PHE 104 HB3 PHE 104 11.500 16.729 -21.310 778 HD1 PHE 104 HD1 PHE 104 10.154 16.849 -19.243 779 HD2 PHE 104 HD2 PHE 104 13.999 18.786 -19.531 780 HE1 PHE 104 HE1 PHE 104 10.309 16.946 -16.782 781 HE2 PHE 104 HE2 PHE 104 14.106 18.932 -17.077 782 HZ PHE 104 HZ PHE 104 12.265 18.014 -15.693 783 H THR 105 H THR 105 13.700 15.215 -22.216 784 HA THR 105 HA THR 105 12.897 15.255 -25.068 785 HB THR 105 HB THR 105 14.838 13.861 -25.647 786 HG1 THR 105 HG1 THR 105 16.508 13.671 -24.109 787 HG21 THR 105 HG21 THR 105 15.727 16.439 -24.292 788 HG22 THR 105 HG22 THR 105 16.576 15.567 -25.581 789 HG23 THR 105 HG23 THR 105 15.008 16.328 -25.920 790 H MET 106 H MET 106 12.648 12.916 -25.867 791 HA MET 106 HA MET 106 10.789 11.674 -24.096 792 HB2 MET 106 HB2 MET 106 12.108 10.389 -26.514 793 HB3 MET 106 HB3 MET 106 10.512 10.045 -25.824 794 HG2 MET 106 HG2 MET 106 11.424 12.526 -27.308 795 HG3 MET 106 HG3 MET 106 10.214 11.353 -27.824 796 HE1 MET 106 HE1 MET 106 8.574 10.970 -25.029 797 HE2 MET 106 HE2 MET 106 7.255 12.130 -25.315 798 HE3 MET 106 HE3 MET 106 7.814 11.080 -26.636 799 H ASP 107 H ASP 107 14.213 11.031 -24.858 800 HA ASP 107 HA ASP 107 14.234 8.564 -23.273 801 HB2 ASP 107 HB2 ASP 107 16.450 10.160 -24.611 802 HB3 ASP 107 HB3 ASP 107 16.634 8.560 -23.870 803 H GLY 108 H GLY 108 14.973 12.000 -22.794 804 HA2 GLY 108 HA2 GLY 108 16.708 11.599 -20.527 805 HA3 GLY 108 HA3 GLY 108 15.944 13.117 -21.047 806 H VAL 109 H VAL 109 13.196 11.919 -20.964 807 HA VAL 109 HA VAL 109 12.728 12.352 -18.101 808 HB VAL 109 HB VAL 109 10.916 11.949 -20.501 809 HG11 VAL 109 HG11 VAL 109 9.762 11.093 -18.504 810 HG12 VAL 109 HG12 VAL 109 10.180 12.576 -17.607 811 HG13 VAL 109 HG13 VAL 109 9.075 12.648 -19.002 812 HG21 VAL 109 HG21 VAL 109 11.579 14.345 -18.731 813 HG22 VAL 109 HG22 VAL 109 12.160 14.092 -20.393 814 HG23 VAL 109 HG23 VAL 109 10.431 14.352 -20.093 815 H ALA 110 H ALA 110 12.765 9.641 -20.419 816 HA ALA 110 HA ALA 110 11.559 7.770 -18.565 817 HB1 ALA 110 HB1 ALA 110 13.290 7.345 -21.033 818 HB2 ALA 110 HB2 ALA 110 12.334 6.093 -20.204 819 HB3 ALA 110 HB3 ALA 110 11.513 7.450 -21.007 820 H LYS 111 H LYS 111 14.804 9.025 -19.183 821 HA LYS 111 HA LYS 111 16.135 6.990 -17.571 822 HB2 LYS 111 HB2 LYS 111 17.211 8.129 -19.498 823 HB3 LYS 111 HB3 LYS 111 17.102 9.673 -18.634 824 HG2 LYS 111 HG2 LYS 111 18.579 8.814 -16.859 825 HG3 LYS 111 HG3 LYS 111 18.582 7.206 -17.611 826 HD2 LYS 111 HD2 LYS 111 20.646 8.409 -18.152 827 HD3 LYS 111 HD3 LYS 111 19.686 8.135 -19.619 828 HE2 LYS 111 HE2 LYS 111 18.810 10.447 -19.479 829 HE3 LYS 111 HE3 LYS 111 19.742 10.710 -17.992 830 HZ1 LYS 111 HZ1 LYS 111 20.881 10.107 -20.640 831 HZ2 LYS 111 HZ2 LYS 111 20.868 11.579 -19.910 832 HZ3 LYS 111 HZ3 LYS 111 21.745 10.354 -19.260 833 H ALA 112 H ALA 112 14.558 10.091 -17.027 834 HA ALA 112 HA ALA 112 15.838 10.610 -14.484 835 HB1 ALA 112 HB1 ALA 112 14.807 12.379 -15.856 836 HB2 ALA 112 HB2 ALA 112 13.209 11.618 -15.655 837 HB3 ALA 112 HB3 ALA 112 14.052 12.303 -14.249 838 H LEU 113 H LEU 113 12.950 8.812 -15.564 839 HA LEU 113 HA LEU 113 11.944 8.332 -12.905 840 HB2 LEU 113 HB2 LEU 113 10.547 8.185 -14.877 841 HB3 LEU 113 HB3 LEU 113 11.531 6.889 -15.565 842 HG LEU 113 HG LEU 113 10.210 6.536 -12.853 843 HD11 LEU 113 HD11 LEU 113 8.935 6.047 -15.571 844 HD12 LEU 113 HD12 LEU 113 8.251 5.579 -13.998 845 HD13 LEU 113 HD13 LEU 113 8.448 7.297 -14.399 846 HD21 LEU 113 HD21 LEU 113 10.120 4.156 -13.630 847 HD22 LEU 113 HD22 LEU 113 10.922 4.628 -15.139 848 HD23 LEU 113 HD23 LEU 113 11.787 4.747 -13.589 849 H ALA 114 H ALA 114 14.185 6.630 -15.113 850 HA ALA 114 HA ALA 114 14.473 4.338 -13.378 851 HB1 ALA 114 HB1 ALA 114 16.205 5.354 -15.668 852 HB2 ALA 114 HB2 ALA 114 16.286 3.735 -14.930 853 HB3 ALA 114 HB3 ALA 114 14.828 4.238 -15.815 854 H ALA 115 H ALA 115 15.880 7.538 -13.382 855 HA ALA 115 HA ALA 115 18.217 6.696 -11.813 856 HB1 ALA 115 HB1 ALA 115 17.183 9.444 -12.610 857 HB2 ALA 115 HB2 ALA 115 18.756 9.093 -11.853 858 HB3 ALA 115 HB3 ALA 115 18.402 8.487 -13.484 859 H LEU 116 H LEU 116 14.934 7.814 -11.222 860 HA LEU 116 HA LEU 116 15.599 8.623 -8.470 861 HB2 LEU 116 HB2 LEU 116 14.076 9.844 -10.128 862 HB3 LEU 116 HB3 LEU 116 12.861 8.616 -9.770 863 HG LEU 116 HG LEU 116 14.229 10.393 -7.693 864 HD11 LEU 116 HD11 LEU 116 12.871 11.678 -9.332 865 HD12 LEU 116 HD12 LEU 116 11.478 10.628 -8.981 866 HD13 LEU 116 HD13 LEU 116 12.141 11.690 -7.716 867 HD21 LEU 116 HD21 LEU 116 12.275 9.755 -6.280 868 HD22 LEU 116 HD22 LEU 116 11.764 8.610 -7.538 869 HD23 LEU 116 HD23 LEU 116 13.306 8.372 -6.662 870 H LEU 117 H LEU 117 13.473 6.229 -10.139 871 HA LEU 117 HA LEU 117 12.692 4.946 -7.683 872 HB2 LEU 117 HB2 LEU 117 12.350 4.356 -10.625 873 HB3 LEU 117 HB3 LEU 117 11.887 3.172 -9.400 874 HG LEU 117 HG LEU 117 10.367 4.767 -8.347 875 HD11 LEU 117 HD11 LEU 117 11.370 6.922 -8.930 876 HD12 LEU 117 HD12 LEU 117 11.091 6.617 -10.665 877 HD13 LEU 117 HD13 LEU 117 9.718 6.844 -9.561 878 HD21 LEU 117 HD21 LEU 117 9.587 3.225 -10.104 879 HD22 LEU 117 HD22 LEU 117 8.677 4.754 -10.134 880 HD23 LEU 117 HD23 LEU 117 9.948 4.456 -11.344 881 H VAL 118 H VAL 118 15.703 4.859 -9.149 882 HA VAL 118 HA VAL 118 16.254 2.236 -7.867 883 HB VAL 118 HB VAL 118 17.338 3.066 -10.586 884 HG11 VAL 118 HG11 VAL 118 18.261 0.762 -10.570 885 HG12 VAL 118 HG12 VAL 118 18.907 1.720 -9.228 886 HG13 VAL 118 HG13 VAL 118 17.625 0.524 -8.925 887 HG21 VAL 118 HG21 VAL 118 14.972 2.395 -10.764 888 HG22 VAL 118 HG22 VAL 118 16.024 1.124 -11.422 889 HG23 VAL 118 HG23 VAL 118 15.307 0.929 -9.808 Start of MODEL 6 1 H1 MET 1 H1 NME 1 5.188 -0.810 3.001 2 H2 MET 1 H2 NME 1 3.893 -1.821 2.873 3 H3 MET 1 H3 NME 1 3.670 -0.191 2.956 4 HA MET 1 HA NME 1 5.017 -1.607 0.770 5 HB2 MET 1 HB2 NME 1 2.293 -0.241 0.859 6 HB3 MET 1 HB3 NME 1 3.066 -0.878 -0.601 7 HG2 MET 1 HG2 NME 1 2.250 -2.490 1.846 8 HG3 MET 1 HG3 NME 1 1.421 -2.453 0.292 9 HE1 MET 1 HE1 NME 1 2.223 -5.103 1.779 10 HE2 MET 1 HE2 NME 1 1.384 -5.048 0.211 11 HE3 MET 1 HE3 NME 1 2.822 -6.077 0.415 12 H SER 2 H SER 2 5.448 -0.201 -1.118 13 HA SER 2 HA SER 2 5.547 2.688 -0.589 14 HB2 SER 2 HB2 SER 2 7.957 2.799 -1.123 15 HB3 SER 2 HB3 SER 2 7.654 1.860 0.361 16 HG SER 2 HG SER 2 9.118 0.810 -1.051 17 H ALA 3 H ALA 3 6.141 3.915 -2.527 18 HA ALA 3 HA ALA 3 6.137 2.507 -5.096 19 HB1 ALA 3 HB1 ALA 3 3.881 4.402 -4.307 20 HB2 ALA 3 HB2 ALA 3 4.123 3.692 -5.913 21 HB3 ALA 3 HB3 ALA 3 3.718 2.647 -4.533 22 H LEU 4 H LEU 4 6.186 4.177 -6.910 23 HA LEU 4 HA LEU 4 7.221 6.826 -6.134 24 HB2 LEU 4 HB2 LEU 4 8.647 4.739 -7.811 25 HB3 LEU 4 HB3 LEU 4 8.980 6.464 -8.015 26 HG LEU 4 HG LEU 4 9.235 5.047 -5.331 27 HD11 LEU 4 HD11 LEU 4 10.888 4.210 -7.007 28 HD12 LEU 4 HD12 LEU 4 11.374 5.903 -7.307 29 HD13 LEU 4 HD13 LEU 4 11.644 5.170 -5.707 30 HD21 LEU 4 HD21 LEU 4 10.528 7.105 -4.787 31 HD22 LEU 4 HD22 LEU 4 10.199 7.725 -6.423 32 HD23 LEU 4 HD23 LEU 4 8.867 7.519 -5.247 33 H THR 5 H THR 5 4.653 5.781 -7.213 34 HA THR 5 HA THR 5 4.606 6.578 -10.010 35 HB THR 5 HB THR 5 2.035 6.428 -9.424 36 HG1 THR 5 HG1 THR 5 1.703 5.032 -7.665 37 HG21 THR 5 HG21 THR 5 3.890 4.021 -9.420 38 HG22 THR 5 HG22 THR 5 2.135 3.986 -9.753 39 HG23 THR 5 HG23 THR 5 3.230 4.861 -10.847 40 H GLN 6 H GLN 6 4.689 8.338 -7.083 41 HA GLN 6 HA GLN 6 3.177 10.536 -8.398 42 HB2 GLN 6 HB2 GLN 6 3.378 9.904 -5.421 43 HB3 GLN 6 HB3 GLN 6 2.488 11.238 -6.156 44 HG2 GLN 6 HG2 GLN 6 1.237 9.511 -7.565 45 HG3 GLN 6 HG3 GLN 6 2.013 8.246 -6.619 46 HE21 GLN 6 HE21 GLN 6 -1.275 8.557 -5.150 47 HE22 GLN 6 HE22 GLN 6 -0.430 7.881 -6.527 48 H ILE 7 H ILE 7 4.344 12.127 -9.036 49 HA ILE 7 HA ILE 7 6.880 12.749 -7.601 50 HB ILE 7 HB ILE 7 6.330 13.154 -10.556 51 HG12 ILE 7 HG12 ILE 7 6.212 10.758 -10.217 52 HG13 ILE 7 HG13 ILE 7 7.730 11.177 -11.001 53 HG21 ILE 7 HG21 ILE 7 8.088 14.553 -9.605 54 HG22 ILE 7 HG22 ILE 7 8.874 13.137 -8.873 55 HG23 ILE 7 HG23 ILE 7 8.808 13.306 -10.642 56 HD11 ILE 7 HD11 ILE 7 7.400 10.591 -8.035 57 HD12 ILE 7 HD12 ILE 7 8.020 9.457 -9.248 58 HD13 ILE 7 HD13 ILE 7 8.932 10.938 -8.876 59 H LEU 8 H LEU 8 7.114 14.793 -6.897 60 HA LEU 8 HA LEU 8 5.075 16.817 -7.586 61 HB2 LEU 8 HB2 LEU 8 6.207 16.158 -5.234 62 HB3 LEU 8 HB3 LEU 8 7.390 17.357 -5.753 63 HG LEU 8 HG LEU 8 4.402 17.730 -5.304 64 HD11 LEU 8 HD11 LEU 8 6.869 18.906 -3.960 65 HD12 LEU 8 HD12 LEU 8 5.175 19.237 -3.523 66 HD13 LEU 8 HD13 LEU 8 5.854 17.608 -3.300 67 HD21 LEU 8 HD21 LEU 8 4.949 19.202 -7.147 68 HD22 LEU 8 HD22 LEU 8 4.845 20.169 -5.674 69 HD23 LEU 8 HD23 LEU 8 6.442 19.750 -6.323 70 H ILE 9 H ILE 9 5.608 18.784 -8.651 71 HA ILE 9 HA ILE 9 8.276 18.813 -9.999 72 HB ILE 9 HB ILE 9 5.582 19.912 -10.854 73 HG12 ILE 9 HG12 ILE 9 7.215 17.720 -12.185 74 HG13 ILE 9 HG13 ILE 9 5.949 17.378 -10.993 75 HG21 ILE 9 HG21 ILE 9 7.446 21.352 -11.618 76 HG22 ILE 9 HG22 ILE 9 8.275 19.928 -12.295 77 HG23 ILE 9 HG23 ILE 9 6.740 20.492 -12.986 78 HD11 ILE 9 HD11 ILE 9 5.489 18.921 -13.581 79 HD12 ILE 9 HD12 ILE 9 5.085 17.217 -13.300 80 HD13 ILE 9 HD13 ILE 9 4.269 18.485 -12.362 81 H VAL 10 H VAL 10 9.597 20.508 -9.571 82 HA VAL 10 HA VAL 10 8.376 22.953 -8.383 83 HB VAL 10 HB VAL 10 11.155 21.849 -7.831 84 HG11 VAL 10 HG11 VAL 10 9.549 24.131 -6.602 85 HG12 VAL 10 HG12 VAL 10 11.151 23.587 -6.060 86 HG13 VAL 10 HG13 VAL 10 10.961 24.304 -7.670 87 HG21 VAL 10 HG21 VAL 10 9.489 20.385 -6.785 88 HG22 VAL 10 HG22 VAL 10 10.235 21.403 -5.538 89 HG23 VAL 10 HG23 VAL 10 8.612 21.791 -6.144 90 H GLU 11 H GLU 11 8.527 24.650 -9.661 91 HA GLU 11 HA GLU 11 10.386 24.482 -11.984 92 HB2 GLU 11 HB2 GLU 11 8.655 25.581 -13.275 93 HB3 GLU 11 HB3 GLU 11 7.986 24.137 -12.494 94 HG2 GLU 11 HG2 GLU 11 7.050 25.572 -10.683 95 HG3 GLU 11 HG3 GLU 11 7.701 27.007 -11.490 96 H ASP 12 H ASP 12 10.992 26.477 -13.005 97 HA ASP 12 HA ASP 12 10.919 28.877 -11.250 98 HB2 ASP 12 HB2 ASP 12 13.170 29.389 -11.812 99 HB3 ASP 12 HB3 ASP 12 13.157 27.716 -11.246 100 H GLU 13 H GLU 13 10.005 27.456 -14.144 101 HA GLU 13 HA GLU 13 9.263 30.049 -15.271 102 HB2 GLU 13 HB2 GLU 13 11.517 29.636 -16.211 103 HB3 GLU 13 HB3 GLU 13 10.981 28.062 -16.818 104 HG2 GLU 13 HG2 GLU 13 9.312 29.182 -18.261 105 HG3 GLU 13 HG3 GLU 13 9.788 30.757 -17.599 106 HA PRO 14 HA PRO 14 5.631 27.618 -15.827 107 HB2 PRO 14 HB2 PRO 14 5.175 29.367 -18.236 108 HB3 PRO 14 HB3 PRO 14 4.040 28.963 -16.907 109 HG2 PRO 14 HG2 PRO 14 5.278 31.363 -16.925 110 HG3 PRO 14 HG3 PRO 14 5.202 30.421 -15.393 111 HD2 PRO 14 HD2 PRO 14 7.493 30.602 -17.372 112 HD3 PRO 14 HD3 PRO 14 7.519 30.763 -15.584 113 H LEU 15 H LEU 15 7.985 27.855 -18.418 114 HA LEU 15 HA LEU 15 6.531 26.056 -20.204 115 HB2 LEU 15 HB2 LEU 15 9.397 27.086 -20.281 116 HB3 LEU 15 HB3 LEU 15 8.558 26.239 -21.590 117 HG LEU 15 HG LEU 15 7.770 28.944 -20.425 118 HD11 LEU 15 HD11 LEU 15 8.480 29.789 -22.633 119 HD12 LEU 15 HD12 LEU 15 9.824 28.992 -21.791 120 HD13 LEU 15 HD13 LEU 15 8.977 28.145 -23.105 121 HD21 LEU 15 HD21 LEU 15 5.775 27.734 -21.218 122 HD22 LEU 15 HD22 LEU 15 6.197 29.034 -22.351 123 HD23 LEU 15 HD23 LEU 15 6.601 27.349 -22.747 124 H ILE 16 H ILE 16 8.766 25.682 -17.528 125 HA ILE 16 HA ILE 16 9.710 23.068 -18.460 126 HB ILE 16 HB ILE 16 9.959 24.368 -15.726 127 HG12 ILE 16 HG12 ILE 16 10.951 25.865 -17.344 128 HG13 ILE 16 HG13 ILE 16 12.235 25.036 -16.464 129 HG21 ILE 16 HG21 ILE 16 11.474 22.084 -17.069 130 HG22 ILE 16 HG22 ILE 16 11.919 22.833 -15.523 131 HG23 ILE 16 HG23 ILE 16 10.384 21.963 -15.678 132 HD11 ILE 16 HD11 ILE 16 12.542 23.480 -18.372 133 HD12 ILE 16 HD12 ILE 16 11.256 24.338 -19.265 134 HD13 ILE 16 HD13 ILE 16 12.763 25.173 -18.847 135 H ALA 17 H ALA 17 7.269 24.354 -16.152 136 HA ALA 17 HA ALA 17 6.602 21.725 -15.152 137 HB1 ALA 17 HB1 ALA 17 6.202 23.786 -13.869 138 HB2 ALA 17 HB2 ALA 17 5.061 24.356 -15.109 139 HB3 ALA 17 HB3 ALA 17 4.680 22.914 -14.142 140 H MET 18 H MET 18 5.728 23.597 -18.001 141 HA MET 18 HA MET 18 3.304 22.095 -18.543 142 HB2 MET 18 HB2 MET 18 3.712 24.402 -19.349 143 HB3 MET 18 HB3 MET 18 5.050 23.812 -20.356 144 HG2 MET 18 HG2 MET 18 3.478 22.334 -21.572 145 HG3 MET 18 HG3 MET 18 2.142 22.941 -20.585 146 HE1 MET 18 HE1 MET 18 1.807 26.663 -21.737 147 HE2 MET 18 HE2 MET 18 1.195 25.377 -20.672 148 HE3 MET 18 HE3 MET 18 2.800 26.084 -20.380 149 H MET 19 H MET 19 6.774 21.786 -19.330 150 HA MET 19 HA MET 19 6.262 19.676 -21.271 151 HB2 MET 19 HB2 MET 19 8.203 21.421 -21.185 152 HB3 MET 19 HB3 MET 19 8.942 20.304 -20.023 153 HG2 MET 19 HG2 MET 19 9.754 19.781 -22.236 154 HG3 MET 19 HG3 MET 19 8.672 18.473 -21.736 155 HE1 MET 19 HE1 MET 19 8.585 17.651 -24.302 156 HE2 MET 19 HE2 MET 19 8.216 18.744 -25.654 157 HE3 MET 19 HE3 MET 19 9.696 18.984 -24.695 158 H LEU 20 H LEU 20 6.971 19.935 -17.811 159 HA LEU 20 HA LEU 20 7.631 17.131 -17.474 160 HB2 LEU 20 HB2 LEU 20 7.202 19.541 -15.765 161 HB3 LEU 20 HB3 LEU 20 6.741 18.007 -15.028 162 HG LEU 20 HG LEU 20 9.082 18.681 -14.507 163 HD11 LEU 20 HD11 LEU 20 8.798 16.100 -16.090 164 HD12 LEU 20 HD12 LEU 20 10.010 16.468 -14.834 165 HD13 LEU 20 HD13 LEU 20 8.297 16.344 -14.403 166 HD21 LEU 20 HD21 LEU 20 9.661 19.700 -16.684 167 HD22 LEU 20 HD22 LEU 20 10.817 18.442 -16.211 168 HD23 LEU 20 HD23 LEU 20 9.590 18.097 -17.454 169 H GLU 21 H GLU 21 4.653 19.111 -17.309 170 HA GLU 21 HA GLU 21 3.036 16.905 -16.335 171 HB2 GLU 21 HB2 GLU 21 2.440 19.622 -17.547 172 HB3 GLU 21 HB3 GLU 21 1.154 18.480 -17.121 173 HG2 GLU 21 HG2 GLU 21 3.262 19.386 -15.122 174 HG3 GLU 21 HG3 GLU 21 1.713 20.209 -15.351 175 H ASP 22 H ASP 22 4.258 17.895 -19.482 176 HA ASP 22 HA ASP 22 2.190 16.539 -20.986 177 HB2 ASP 22 HB2 ASP 22 3.576 18.387 -21.889 178 HB3 ASP 22 HB3 ASP 22 5.010 17.350 -21.777 179 H PHE 23 H PHE 23 5.499 15.583 -19.801 180 HA PHE 23 HA PHE 23 5.181 13.021 -21.166 181 HB2 PHE 23 HB2 PHE 23 7.320 14.203 -19.391 182 HB3 PHE 23 HB3 PHE 23 7.368 12.536 -19.961 183 HD1 PHE 23 HD1 PHE 23 6.821 12.308 -22.610 184 HD2 PHE 23 HD2 PHE 23 8.544 15.740 -20.671 185 HE1 PHE 23 HE1 PHE 23 7.810 13.026 -24.765 186 HE2 PHE 23 HE2 PHE 23 9.555 16.443 -22.826 187 HZ PHE 23 HZ PHE 23 9.180 15.089 -24.877 188 H LEU 24 H LEU 24 4.454 14.226 -17.908 189 HA LEU 24 HA LEU 24 4.487 11.509 -16.820 190 HB2 LEU 24 HB2 LEU 24 3.504 14.171 -15.737 191 HB3 LEU 24 HB3 LEU 24 3.462 12.651 -14.824 192 HG LEU 24 HG LEU 24 5.997 13.889 -15.987 193 HD11 LEU 24 HD11 LEU 24 6.515 14.533 -13.685 194 HD12 LEU 24 HD12 LEU 24 4.965 15.253 -14.181 195 HD13 LEU 24 HD13 LEU 24 4.989 13.827 -13.111 196 HD21 LEU 24 HD21 LEU 24 7.144 12.301 -14.475 197 HD22 LEU 24 HD22 LEU 24 5.578 11.607 -14.013 198 HD23 LEU 24 HD23 LEU 24 6.172 11.444 -15.684 199 H GLU 25 H GLU 25 2.178 13.512 -18.532 200 HA GLU 25 HA GLU 25 -0.092 11.834 -17.697 201 HB2 GLU 25 HB2 GLU 25 0.237 14.129 -19.658 202 HB3 GLU 25 HB3 GLU 25 -1.284 13.247 -19.453 203 HG2 GLU 25 HG2 GLU 25 0.194 14.638 -17.185 204 HG3 GLU 25 HG3 GLU 25 -1.129 15.359 -18.109 205 H VAL 26 H VAL 26 2.228 12.012 -20.365 206 HA VAL 26 HA VAL 26 0.661 10.153 -22.014 207 HB VAL 26 HB VAL 26 3.379 11.476 -22.331 208 HG11 VAL 26 HG11 VAL 26 1.866 9.677 -24.273 209 HG12 VAL 26 HG12 VAL 26 3.266 10.688 -24.699 210 HG13 VAL 26 HG13 VAL 26 3.465 9.356 -23.553 211 HG21 VAL 26 HG21 VAL 26 2.218 12.773 -24.059 212 HG22 VAL 26 HG22 VAL 26 0.723 11.852 -23.785 213 HG23 VAL 26 HG23 VAL 26 1.351 12.932 -22.521 214 H LEU 27 H LEU 27 3.038 9.924 -19.487 215 HA LEU 27 HA LEU 27 3.825 7.224 -20.368 216 HB2 LEU 27 HB2 LEU 27 5.527 8.969 -19.819 217 HB3 LEU 27 HB3 LEU 27 4.982 8.921 -18.136 218 HG LEU 27 HG LEU 27 5.738 6.591 -17.928 219 HD11 LEU 27 HD11 LEU 27 6.495 6.848 -20.871 220 HD12 LEU 27 HD12 LEU 27 6.973 5.514 -19.798 221 HD13 LEU 27 HD13 LEU 27 5.261 5.754 -20.186 222 HD21 LEU 27 HD21 LEU 27 8.133 6.977 -18.238 223 HD22 LEU 27 HD22 LEU 27 7.791 8.344 -19.327 224 HD23 LEU 27 HD23 LEU 27 7.346 8.447 -17.610 225 H ASP 28 H ASP 28 1.180 8.098 -19.074 226 HA ASP 28 HA ASP 28 -0.296 7.350 -17.552 227 HB2 ASP 28 HB2 ASP 28 0.133 5.320 -18.920 228 HB3 ASP 28 HB3 ASP 28 1.291 4.767 -17.707 229 H LYS 29 H LYS 29 1.978 8.760 -16.478 230 HA LYS 29 HA LYS 29 2.585 7.496 -13.903 231 HB2 LYS 29 HB2 LYS 29 3.810 9.371 -15.634 232 HB3 LYS 29 HB3 LYS 29 3.360 10.304 -14.200 233 HG2 LYS 29 HG2 LYS 29 4.975 7.717 -14.204 234 HG3 LYS 29 HG3 LYS 29 5.652 9.350 -14.084 235 HD2 LYS 29 HD2 LYS 29 4.193 9.696 -12.030 236 HD3 LYS 29 HD3 LYS 29 3.856 7.950 -12.077 237 HE2 LYS 29 HE2 LYS 29 6.604 9.246 -11.874 238 HE3 LYS 29 HE3 LYS 29 5.708 8.533 -10.531 239 HZ1 LYS 29 HZ1 LYS 29 7.297 6.994 -11.384 240 HZ2 LYS 29 HZ2 LYS 29 5.804 6.411 -11.720 241 HZ3 LYS 29 HZ3 LYS 29 6.701 7.103 -12.912 242 H THR 30 H THR 30 2.219 8.856 -11.843 243 HA THR 30 HA THR 30 -0.429 10.227 -12.041 244 HB THR 30 HB THR 30 0.590 8.612 -9.673 245 HG1 THR 30 HG1 THR 30 -0.912 7.088 -10.443 246 HG21 THR 30 HG21 THR 30 -1.794 8.726 -9.014 247 HG22 THR 30 HG22 THR 30 -1.094 10.352 -9.144 248 HG23 THR 30 HG23 THR 30 -2.144 9.735 -10.435 249 HA PRO 31 HA PRO 31 2.714 13.275 -10.449 250 HB2 PRO 31 HB2 PRO 31 1.718 15.451 -11.799 251 HB3 PRO 31 HB3 PRO 31 2.889 14.297 -12.509 252 HG2 PRO 31 HG2 PRO 31 -0.132 14.303 -12.807 253 HG3 PRO 31 HG3 PRO 31 1.109 14.173 -14.105 254 HD2 PRO 31 HD2 PRO 31 -0.098 11.972 -13.107 255 HD3 PRO 31 HD3 PRO 31 1.655 11.948 -13.469 256 H VAL 32 H VAL 32 2.259 15.131 -8.992 257 HA VAL 32 HA VAL 32 -0.502 14.899 -7.884 258 HB VAL 32 HB VAL 32 0.464 15.000 -5.643 259 HG11 VAL 32 HG11 VAL 32 1.769 12.821 -7.315 260 HG12 VAL 32 HG12 VAL 32 1.351 12.766 -5.586 261 HG13 VAL 32 HG13 VAL 32 0.060 12.816 -6.804 262 HG21 VAL 32 HG21 VAL 32 2.574 16.206 -6.127 263 HG22 VAL 32 HG22 VAL 32 2.885 14.647 -5.316 264 HG23 VAL 32 HG23 VAL 32 3.159 14.799 -7.058 265 H GLY 33 H GLY 33 1.948 17.142 -8.957 266 HA2 GLY 33 HA2 GLY 33 0.253 19.310 -8.929 267 HA3 GLY 33 HA3 GLY 33 0.969 19.335 -7.316 268 H THR 34 H THR 34 1.417 21.496 -8.632 269 HA THR 34 HA THR 34 4.293 21.380 -9.364 270 HB THR 34 HB THR 34 3.861 23.189 -11.031 271 HG1 THR 34 HG1 THR 34 1.854 23.858 -10.166 272 HG21 THR 34 HG21 THR 34 4.030 20.884 -11.863 273 HG22 THR 34 HG22 THR 34 2.296 20.625 -11.558 274 HG23 THR 34 HG23 THR 34 2.821 21.793 -12.790 275 H VAL 35 H VAL 35 5.501 23.054 -8.447 276 HA VAL 35 HA VAL 35 4.016 25.219 -7.073 277 HB VAL 35 HB VAL 35 5.462 24.952 -5.073 278 HG11 VAL 35 HG11 VAL 35 4.224 23.077 -4.102 279 HG12 VAL 35 HG12 VAL 35 3.153 24.068 -5.112 280 HG13 VAL 35 HG13 VAL 35 3.761 22.509 -5.717 281 HG21 VAL 35 HG21 VAL 35 6.612 22.816 -4.676 282 HG22 VAL 35 HG22 VAL 35 6.164 22.243 -6.296 283 HG23 VAL 35 HG23 VAL 35 7.284 23.616 -6.112 284 H ASP 36 H ASP 36 5.168 27.132 -6.774 285 HA ASP 36 HA ASP 36 7.280 27.475 -8.794 286 HB2 ASP 36 HB2 ASP 36 5.667 29.493 -7.191 287 HB3 ASP 36 HB3 ASP 36 6.780 29.872 -8.508 288 H THR 37 H THR 37 7.349 26.671 -5.593 289 HA THR 37 HA THR 37 10.079 27.677 -5.306 290 HB THR 37 HB THR 37 8.844 29.580 -4.431 291 HG1 THR 37 HG1 THR 37 9.739 29.543 -2.367 292 HG21 THR 37 HG21 THR 37 7.510 27.592 -2.546 293 HG22 THR 37 HG22 THR 37 7.358 29.361 -2.476 294 HG23 THR 37 HG23 THR 37 6.711 28.477 -3.868 295 H VAL 38 H VAL 38 11.197 26.663 -3.506 296 HA VAL 38 HA VAL 38 10.446 23.899 -3.225 297 HB VAL 38 HB VAL 38 12.448 23.753 -1.795 298 HG11 VAL 38 HG11 VAL 38 12.629 23.654 -4.250 299 HG12 VAL 38 HG12 VAL 38 12.851 25.413 -4.317 300 HG13 VAL 38 HG13 VAL 38 14.074 24.395 -3.511 301 HG21 VAL 38 HG21 VAL 38 12.277 25.973 -0.679 302 HG22 VAL 38 HG22 VAL 38 13.864 25.738 -1.439 303 HG23 VAL 38 HG23 VAL 38 12.650 26.771 -2.222 304 H ALA 39 H ALA 39 9.805 26.789 -1.324 305 HA ALA 39 HA ALA 39 9.281 25.428 1.156 306 HB1 ALA 39 HB1 ALA 39 8.234 28.072 0.052 307 HB2 ALA 39 HB2 ALA 39 8.157 27.552 1.749 308 HB3 ALA 39 HB3 ALA 39 9.731 27.861 0.992 309 H GLY 40 H GLY 40 7.484 25.892 -1.836 310 HA2 GLY 40 HA2 GLY 40 4.894 25.167 -0.701 311 HA3 GLY 40 HA3 GLY 40 5.317 25.365 -2.415 312 H ALA 41 H ALA 41 7.704 23.486 -2.060 313 HA ALA 41 HA ALA 41 6.287 21.047 -2.704 314 HB1 ALA 41 HB1 ALA 41 8.563 20.111 -2.914 315 HB2 ALA 41 HB2 ALA 41 8.454 21.685 -3.733 316 HB3 ALA 41 HB3 ALA 41 9.243 21.560 -2.148 317 H LEU 42 H LEU 42 7.959 22.355 0.163 318 HA LEU 42 HA LEU 42 7.835 19.890 1.646 319 HB2 LEU 42 HB2 LEU 42 9.450 21.774 1.946 320 HB3 LEU 42 HB3 LEU 42 8.154 22.776 2.588 321 HG LEU 42 HG LEU 42 9.738 21.744 4.248 322 HD11 LEU 42 HD11 LEU 42 6.853 20.915 4.708 323 HD12 LEU 42 HD12 LEU 42 8.091 21.266 5.923 324 HD13 LEU 42 HD13 LEU 42 7.478 22.572 4.894 325 HD21 LEU 42 HD21 LEU 42 9.465 19.417 4.887 326 HD22 LEU 42 HD22 LEU 42 8.231 19.172 3.632 327 HD23 LEU 42 HD23 LEU 42 9.923 19.506 3.174 328 H ALA 43 H ALA 43 5.761 22.763 1.269 329 HA ALA 43 HA ALA 43 3.969 22.122 3.417 330 HB1 ALA 43 HB1 ALA 43 3.572 23.834 0.933 331 HB2 ALA 43 HB2 ALA 43 2.552 23.853 2.388 332 HB3 ALA 43 HB3 ALA 43 4.238 24.391 2.486 333 H ARG 44 H ARG 44 4.196 20.998 0.063 334 HA ARG 44 HA ARG 44 1.458 19.910 0.133 335 HB2 ARG 44 HB2 ARG 44 3.719 19.818 -1.895 336 HB3 ARG 44 HB3 ARG 44 2.188 18.959 -2.117 337 HG2 ARG 44 HG2 ARG 44 2.426 21.970 -1.704 338 HG3 ARG 44 HG3 ARG 44 2.239 21.162 -3.271 339 HD2 ARG 44 HD2 ARG 44 0.086 20.180 -2.469 340 HD3 ARG 44 HD3 ARG 44 0.265 21.084 -0.953 341 HE ARG 44 HE ARG 44 0.478 22.877 -3.171 342 HH11 ARG 44 HH11 ARG 44 -1.912 20.924 -1.435 343 HH12 ARG 44 HH12 ARG 44 -3.239 21.973 -1.861 344 HH21 ARG 44 HH21 ARG 44 -1.278 24.229 -3.699 345 HH22 ARG 44 HH22 ARG 44 -2.886 23.835 -3.144 346 H VAL 45 H VAL 45 4.724 18.814 0.867 347 HA VAL 45 HA VAL 45 3.962 15.986 0.901 348 HB VAL 45 HB VAL 45 6.350 17.566 1.918 349 HG11 VAL 45 HG11 VAL 45 5.910 14.553 1.968 350 HG12 VAL 45 HG12 VAL 45 7.449 15.384 2.308 351 HG13 VAL 45 HG13 VAL 45 6.069 15.609 3.388 352 HG21 VAL 45 HG21 VAL 45 7.519 16.415 0.088 353 HG22 VAL 45 HG22 VAL 45 6.043 15.514 -0.320 354 HG23 VAL 45 HG23 VAL 45 6.106 17.272 -0.561 355 H GLU 46 H GLU 46 3.925 18.746 3.096 356 HA GLU 46 HA GLU 46 3.439 17.107 5.455 357 HB2 GLU 46 HB2 GLU 46 4.726 19.267 5.383 358 HB3 GLU 46 HB3 GLU 46 3.190 20.115 5.120 359 HG2 GLU 46 HG2 GLU 46 2.351 19.365 7.272 360 HG3 GLU 46 HG3 GLU 46 3.716 18.244 7.468 361 H ASP 47 H ASP 47 1.526 18.275 2.865 362 HA ASP 47 HA ASP 47 -0.943 18.264 4.534 363 HB2 ASP 47 HB2 ASP 47 -0.412 20.346 3.322 364 HB3 ASP 47 HB3 ASP 47 -0.424 19.453 1.791 365 H GLY 48 H GLY 48 0.801 16.351 2.252 366 HA2 GLY 48 HA2 GLY 48 -1.326 14.407 2.159 367 HA3 GLY 48 HA3 GLY 48 -1.135 15.234 0.608 368 H GLY 49 H GLY 49 -0.714 12.512 0.750 369 HA2 GLY 49 HA2 GLY 49 2.067 11.863 1.240 370 HA3 GLY 49 HA3 GLY 49 0.841 10.812 0.507 371 H ILE 50 H ILE 50 3.734 11.757 -0.125 372 HA ILE 50 HA ILE 50 3.370 11.864 -3.047 373 HB ILE 50 HB ILE 50 5.084 13.839 -1.475 374 HG12 ILE 50 HG12 ILE 50 2.585 14.207 -3.177 375 HG13 ILE 50 HG13 ILE 50 2.720 14.459 -1.432 376 HG21 ILE 50 HG21 ILE 50 6.175 13.064 -3.560 377 HG22 ILE 50 HG22 ILE 50 4.723 13.496 -4.488 378 HG23 ILE 50 HG23 ILE 50 5.692 14.755 -3.677 379 HD11 ILE 50 HD11 ILE 50 2.746 16.607 -2.531 380 HD12 ILE 50 HD12 ILE 50 4.355 16.297 -1.845 381 HD13 ILE 50 HD13 ILE 50 4.069 16.103 -3.597 382 H ASP 51 H ASP 51 5.194 10.880 -4.138 383 HA ASP 51 HA ASP 51 6.697 9.141 -2.244 384 HB2 ASP 51 HB2 ASP 51 6.105 8.845 -5.202 385 HB3 ASP 51 HB3 ASP 51 7.021 7.703 -4.208 386 H ALA 52 H ALA 52 7.193 11.511 -4.854 387 HA ALA 52 HA ALA 52 9.958 11.852 -4.007 388 HB1 ALA 52 HB1 ALA 52 10.917 11.315 -6.229 389 HB2 ALA 52 HB2 ALA 52 10.182 9.878 -5.474 390 HB3 ALA 52 HB3 ALA 52 9.325 10.731 -6.769 391 H ALA 53 H ALA 53 11.049 13.537 -5.557 392 HA ALA 53 HA ALA 53 9.077 15.259 -6.924 393 HB1 ALA 53 HB1 ALA 53 10.796 16.224 -4.607 394 HB2 ALA 53 HB2 ALA 53 9.775 17.250 -5.639 395 HB3 ALA 53 HB3 ALA 53 9.029 16.029 -4.583 396 H ILE 54 H ILE 54 10.015 16.892 -8.244 397 HA ILE 54 HA ILE 54 12.895 16.470 -8.912 398 HB ILE 54 HB ILE 54 10.621 17.462 -10.665 399 HG12 ILE 54 HG12 ILE 54 10.397 15.063 -10.237 400 HG13 ILE 54 HG13 ILE 54 10.845 15.373 -11.912 401 HG21 ILE 54 HG21 ILE 54 13.559 16.905 -11.270 402 HG22 ILE 54 HG22 ILE 54 12.315 17.269 -12.490 403 HG23 ILE 54 HG23 ILE 54 12.745 18.487 -11.280 404 HD11 ILE 54 HD11 ILE 54 12.752 14.482 -9.708 405 HD12 ILE 54 HD12 ILE 54 12.078 13.461 -10.993 406 HD13 ILE 54 HD13 ILE 54 13.191 14.774 -11.416 407 H LEU 55 H LEU 55 14.214 18.188 -8.638 408 HA LEU 55 HA LEU 55 12.947 20.764 -7.803 409 HB2 LEU 55 HB2 LEU 55 15.353 19.191 -6.845 410 HB3 LEU 55 HB3 LEU 55 15.264 20.927 -6.591 411 HG LEU 55 HG LEU 55 14.564 19.585 -4.630 412 HD11 LEU 55 HD11 LEU 55 12.409 21.347 -5.854 413 HD12 LEU 55 HD12 LEU 55 12.584 20.952 -4.129 414 HD13 LEU 55 HD13 LEU 55 13.842 21.904 -4.952 415 HD21 LEU 55 HD21 LEU 55 12.436 18.472 -4.533 416 HD22 LEU 55 HD22 LEU 55 12.037 18.947 -6.193 417 HD23 LEU 55 HD23 LEU 55 13.343 17.772 -5.891 418 H ASP 56 H ASP 56 13.266 22.346 -9.357 419 HA ASP 56 HA ASP 56 15.646 22.225 -11.039 420 HB2 ASP 56 HB2 ASP 56 13.431 23.204 -11.743 421 HB3 ASP 56 HB3 ASP 56 13.748 24.562 -10.647 422 H VAL 57 H VAL 57 17.512 23.603 -10.859 423 HA VAL 57 HA VAL 57 18.177 24.075 -8.076 424 HB VAL 57 HB VAL 57 20.395 24.622 -8.882 425 HG11 VAL 57 HG11 VAL 57 19.247 22.251 -10.411 426 HG12 VAL 57 HG12 VAL 57 20.938 22.483 -9.919 427 HG13 VAL 57 HG13 VAL 57 19.674 22.240 -8.690 428 HG21 VAL 57 HG21 VAL 57 19.795 25.903 -10.904 429 HG22 VAL 57 HG22 VAL 57 20.939 24.597 -11.273 430 HG23 VAL 57 HG23 VAL 57 19.220 24.408 -11.684 431 H ASN 58 H ASN 58 16.699 26.058 -10.453 432 HA ASN 58 HA ASN 58 17.801 28.551 -9.378 433 HB2 ASN 58 HB2 ASN 58 17.180 28.232 -11.781 434 HB3 ASN 58 HB3 ASN 58 15.490 28.075 -11.291 435 HD21 ASN 58 HD21 ASN 58 15.554 31.557 -12.210 436 HD22 ASN 58 HD22 ASN 58 15.303 29.936 -12.838 437 H LEU 59 H LEU 59 16.741 29.955 -7.956 438 HA LEU 59 HA LEU 59 14.065 29.244 -6.974 439 HB2 LEU 59 HB2 LEU 59 15.632 27.825 -5.683 440 HB3 LEU 59 HB3 LEU 59 16.537 29.267 -5.192 441 HG LEU 59 HG LEU 59 14.563 30.109 -3.973 442 HD11 LEU 59 HD11 LEU 59 13.264 27.504 -4.874 443 HD12 LEU 59 HD12 LEU 59 12.597 28.620 -3.657 444 HD13 LEU 59 HD13 LEU 59 12.745 29.141 -5.341 445 HD21 LEU 59 HD21 LEU 59 16.176 28.626 -2.832 446 HD22 LEU 59 HD22 LEU 59 14.528 28.401 -2.203 447 HD23 LEU 59 HD23 LEU 59 15.226 27.207 -3.326 448 H ARG 60 H ARG 60 13.057 30.926 -5.843 449 HA ARG 60 HA ARG 60 14.048 33.587 -6.521 450 HB2 ARG 60 HB2 ARG 60 11.844 34.328 -5.805 451 HB3 ARG 60 HB3 ARG 60 11.724 32.939 -6.903 452 HG2 ARG 60 HG2 ARG 60 11.527 31.459 -4.824 453 HG3 ARG 60 HG3 ARG 60 11.402 32.952 -3.873 454 HD2 ARG 60 HD2 ARG 60 9.176 32.141 -4.322 455 HD3 ARG 60 HD3 ARG 60 9.416 33.604 -5.282 456 HE ARG 60 HE ARG 60 9.384 30.790 -6.286 457 HH11 ARG 60 HH11 ARG 60 9.292 34.259 -6.981 458 HH12 ARG 60 HH12 ARG 60 8.899 34.018 -8.667 459 HH21 ARG 60 HH21 ARG 60 8.902 30.511 -8.457 460 HH22 ARG 60 HH22 ARG 60 8.670 31.897 -9.503 461 H GLY 61 H GLY 61 14.313 35.328 -5.045 462 HA2 GLY 61 HA2 GLY 61 14.808 36.345 -3.040 463 HA3 GLY 61 HA3 GLY 61 14.317 34.878 -2.180 464 H GLY 62 H GLY 62 16.587 34.125 -4.620 465 HA2 GLY 62 HA2 GLY 62 19.049 34.787 -3.315 466 HA3 GLY 62 HA3 GLY 62 18.546 33.143 -2.882 467 H GLU 63 H GLU 63 20.726 32.833 -4.093 468 HA GLU 63 HA GLU 63 20.101 32.317 -6.968 469 HB2 GLU 63 HB2 GLU 63 22.723 33.250 -5.739 470 HB3 GLU 63 HB3 GLU 63 22.526 32.728 -7.414 471 HG2 GLU 63 HG2 GLU 63 21.104 35.087 -6.110 472 HG3 GLU 63 HG3 GLU 63 22.489 35.191 -7.197 473 H LYS 64 H LYS 64 20.379 30.304 -7.632 474 HA LYS 64 HA LYS 64 20.693 28.058 -7.573 475 HB2 LYS 64 HB2 LYS 64 23.376 28.895 -6.431 476 HB3 LYS 64 HB3 LYS 64 22.998 27.348 -7.223 477 HG2 LYS 64 HG2 LYS 64 22.327 28.631 -9.283 478 HG3 LYS 64 HG3 LYS 64 22.925 30.108 -8.500 479 HD2 LYS 64 HD2 LYS 64 24.554 27.616 -9.129 480 HD3 LYS 64 HD3 LYS 64 24.631 29.164 -9.993 481 HE2 LYS 64 HE2 LYS 64 25.368 30.279 -7.889 482 HE3 LYS 64 HE3 LYS 64 25.331 28.715 -7.061 483 HZ1 LYS 64 HZ1 LYS 64 27.534 29.235 -7.796 484 HZ2 LYS 64 HZ2 LYS 64 26.979 27.931 -8.636 485 HZ3 LYS 64 HZ3 LYS 64 27.041 29.408 -9.354 486 H SER 65 H SER 65 22.087 26.330 -5.989 487 HA SER 65 HA SER 65 21.882 24.964 -4.243 488 HB2 SER 65 HB2 SER 65 22.906 26.888 -3.083 489 HB3 SER 65 HB3 SER 65 21.288 27.421 -2.577 490 HG SER 65 HG SER 65 22.335 26.088 -1.021 491 H THR 66 H THR 66 20.507 23.848 -2.785 492 HA THR 66 HA THR 66 17.632 24.502 -2.853 493 HB THR 66 HB THR 66 18.647 21.799 -3.826 494 HG1 THR 66 HG1 THR 66 18.087 22.541 -5.885 495 HG21 THR 66 HG21 THR 66 16.332 21.534 -4.595 496 HG22 THR 66 HG22 THR 66 16.325 21.928 -2.863 497 HG23 THR 66 HG23 THR 66 15.941 23.183 -4.062 498 HA PRO 67 HA PRO 67 19.569 22.613 0.959 499 HB2 PRO 67 HB2 PRO 67 18.846 24.495 2.799 500 HB3 PRO 67 HB3 PRO 67 20.237 24.718 1.688 501 HG2 PRO 67 HG2 PRO 67 17.400 25.740 1.328 502 HG3 PRO 67 HG3 PRO 67 18.934 26.677 1.219 503 HD2 PRO 67 HD2 PRO 67 17.728 25.691 -1.005 504 HD3 PRO 67 HD3 PRO 67 19.510 25.657 -0.838 505 H VAL 68 H VAL 68 16.339 23.424 0.004 506 HA VAL 68 HA VAL 68 15.100 22.253 2.390 507 HB VAL 68 HB VAL 68 13.931 23.254 -0.236 508 HG11 VAL 68 HG11 VAL 68 12.591 22.462 2.388 509 HG12 VAL 68 HG12 VAL 68 11.789 23.312 1.049 510 HG13 VAL 68 HG13 VAL 68 12.382 21.663 0.811 511 HG21 VAL 68 HG21 VAL 68 14.999 25.030 1.094 512 HG22 VAL 68 HG22 VAL 68 13.236 25.186 1.194 513 HG23 VAL 68 HG23 VAL 68 14.138 24.479 2.551 514 H ALA 69 H ALA 69 16.398 21.101 -0.624 515 HA ALA 69 HA ALA 69 14.689 18.826 -0.957 516 HB1 ALA 69 HB1 ALA 69 16.235 19.667 -2.704 517 HB2 ALA 69 HB2 ALA 69 17.627 19.198 -1.689 518 HB3 ALA 69 HB3 ALA 69 16.540 17.959 -2.337 519 H GLU 70 H GLU 70 17.370 19.565 1.212 520 HA GLU 70 HA GLU 70 17.901 16.811 1.939 521 HB2 GLU 70 HB2 GLU 70 18.621 19.435 3.295 522 HB3 GLU 70 HB3 GLU 70 19.294 17.849 3.703 523 HG2 GLU 70 HG2 GLU 70 20.213 17.628 1.417 524 HG3 GLU 70 HG3 GLU 70 19.501 19.178 0.968 525 H ALA 71 H ALA 71 15.489 19.175 2.839 526 HA ALA 71 HA ALA 71 14.853 17.876 5.383 527 HB1 ALA 71 HB1 ALA 71 12.921 19.401 5.363 528 HB2 ALA 71 HB2 ALA 71 14.426 20.285 5.018 529 HB3 ALA 71 HB3 ALA 71 13.301 19.884 3.696 530 H LEU 72 H LEU 72 13.889 17.679 1.961 531 HA LEU 72 HA LEU 72 11.661 15.891 2.449 532 HB2 LEU 72 HB2 LEU 72 13.393 16.290 -0.030 533 HB3 LEU 72 HB3 LEU 72 11.856 15.423 0.025 534 HG LEU 72 HG LEU 72 12.249 18.385 0.637 535 HD11 LEU 72 HD11 LEU 72 10.953 16.949 -1.718 536 HD12 LEU 72 HD12 LEU 72 10.997 18.711 -1.469 537 HD13 LEU 72 HD13 LEU 72 12.508 17.812 -1.747 538 HD21 LEU 72 HD21 LEU 72 9.732 16.675 0.487 539 HD22 LEU 72 HD22 LEU 72 10.374 17.480 1.940 540 HD23 LEU 72 HD23 LEU 72 9.753 18.453 0.596 541 H ALA 73 H ALA 73 15.177 15.523 1.958 542 HA ALA 73 HA ALA 73 15.095 12.646 1.795 543 HB1 ALA 73 HB1 ALA 73 16.958 13.953 0.894 544 HB2 ALA 73 HB2 ALA 73 17.345 14.567 2.522 545 HB3 ALA 73 HB3 ALA 73 17.539 12.839 2.145 546 H ALA 74 H ALA 74 15.003 14.971 4.437 547 HA ALA 74 HA ALA 74 15.661 13.006 6.485 548 HB1 ALA 74 HB1 ALA 74 14.357 15.753 6.661 549 HB2 ALA 74 HB2 ALA 74 14.986 14.803 8.030 550 HB3 ALA 74 HB3 ALA 74 16.099 15.417 6.792 551 H ARG 75 H ARG 75 12.896 13.868 4.602 552 HA ARG 75 HA ARG 75 11.082 12.343 6.385 553 HB2 ARG 75 HB2 ARG 75 10.529 14.110 3.975 554 HB3 ARG 75 HB3 ARG 75 9.296 13.172 4.845 555 HG2 ARG 75 HG2 ARG 75 9.865 14.346 6.943 556 HG3 ARG 75 HG3 ARG 75 11.078 15.317 6.084 557 HD2 ARG 75 HD2 ARG 75 9.318 16.238 4.627 558 HD3 ARG 75 HD3 ARG 75 8.100 15.245 5.448 559 HE ARG 75 HE ARG 75 9.588 16.881 7.315 560 HH11 ARG 75 HH11 ARG 75 6.935 16.973 4.973 561 HH12 ARG 75 HH12 ARG 75 6.143 18.320 5.769 562 HH21 ARG 75 HH21 ARG 75 8.505 18.620 8.322 563 HH22 ARG 75 HH22 ARG 75 7.000 19.215 7.658 564 H ASP 76 H ASP 76 13.348 11.347 4.545 565 HA ASP 76 HA ASP 76 13.804 9.583 3.269 566 HB2 ASP 76 HB2 ASP 76 11.155 8.499 4.262 567 HB3 ASP 76 HB3 ASP 76 12.458 7.559 3.534 568 H ILE 77 H ILE 77 12.290 11.829 1.980 569 HA ILE 77 HA ILE 77 11.139 10.326 -0.312 570 HB ILE 77 HB ILE 77 10.913 13.244 0.489 571 HG12 ILE 77 HG12 ILE 77 8.904 10.947 0.411 572 HG13 ILE 77 HG13 ILE 77 9.598 11.690 1.870 573 HG21 ILE 77 HG21 ILE 77 9.663 11.756 -1.855 574 HG22 ILE 77 HG22 ILE 77 9.397 13.468 -1.430 575 HG23 ILE 77 HG23 ILE 77 10.990 12.941 -1.983 576 HD11 ILE 77 HD11 ILE 77 7.757 13.026 -0.147 577 HD12 ILE 77 HD12 ILE 77 7.402 12.617 1.538 578 HD13 ILE 77 HD13 ILE 77 8.602 13.882 1.168 579 HA PRO 78 HA PRO 78 15.067 11.300 -2.251 580 HB2 PRO 78 HB2 PRO 78 14.723 9.949 -4.579 581 HB3 PRO 78 HB3 PRO 78 14.921 9.094 -3.010 582 HG2 PRO 78 HG2 PRO 78 12.333 9.794 -4.428 583 HG3 PRO 78 HG3 PRO 78 12.837 8.190 -3.800 584 HD2 PRO 78 HD2 PRO 78 11.249 9.880 -2.358 585 HD3 PRO 78 HD3 PRO 78 12.492 8.865 -1.563 586 H PHE 79 H PHE 79 15.828 12.505 -4.123 587 HA PHE 79 HA PHE 79 13.795 13.909 -5.726 588 HB2 PHE 79 HB2 PHE 79 14.687 16.111 -5.127 589 HB3 PHE 79 HB3 PHE 79 14.004 15.287 -3.724 590 HD1 PHE 79 HD1 PHE 79 17.248 16.066 -5.446 591 HD2 PHE 79 HD2 PHE 79 15.296 14.961 -1.769 592 HE1 PHE 79 HE1 PHE 79 19.360 16.434 -4.207 593 HE2 PHE 79 HE2 PHE 79 17.418 15.385 -0.536 594 HZ PHE 79 HZ PHE 79 19.432 16.111 -1.749 595 H VAL 80 H VAL 80 14.788 15.258 -7.424 596 HA VAL 80 HA VAL 80 17.557 14.489 -8.179 597 HB VAL 80 HB VAL 80 15.112 14.389 -9.999 598 HG11 VAL 80 HG11 VAL 80 18.058 13.825 -10.531 599 HG12 VAL 80 HG12 VAL 80 16.728 13.461 -11.656 600 HG13 VAL 80 HG13 VAL 80 17.076 15.142 -11.223 601 HG21 VAL 80 HG21 VAL 80 15.188 12.434 -8.513 602 HG22 VAL 80 HG22 VAL 80 15.636 11.965 -10.165 603 HG23 VAL 80 HG23 VAL 80 16.897 12.162 -8.929 604 H PHE 81 H PHE 81 18.666 16.145 -9.301 605 HA PHE 81 HA PHE 81 17.386 18.789 -9.098 606 HB2 PHE 81 HB2 PHE 81 20.215 17.937 -9.771 607 HB3 PHE 81 HB3 PHE 81 19.670 19.608 -9.643 608 HD1 PHE 81 HD1 PHE 81 17.834 18.932 -7.088 609 HD2 PHE 81 HD2 PHE 81 21.955 18.294 -8.141 610 HE1 PHE 81 HE1 PHE 81 18.460 18.986 -4.688 611 HE2 PHE 81 HE2 PHE 81 22.570 18.338 -5.737 612 HZ PHE 81 HZ PHE 81 20.825 18.703 -4.019 613 H ALA 82 H ALA 82 17.399 20.317 -10.824 614 HA ALA 82 HA ALA 82 17.958 19.267 -13.536 615 HB1 ALA 82 HB1 ALA 82 15.536 18.967 -13.174 616 HB2 ALA 82 HB2 ALA 82 15.382 20.670 -12.702 617 HB3 ALA 82 HB3 ALA 82 15.844 20.247 -14.370 618 H THR 83 H THR 83 18.962 20.761 -14.833 619 HA THR 83 HA THR 83 18.991 23.601 -14.114 620 HB THR 83 HB THR 83 20.624 22.601 -12.550 621 HG1 THR 83 HG1 THR 83 22.353 23.926 -13.202 622 HG21 THR 83 HG21 THR 83 22.074 21.683 -15.072 623 HG22 THR 83 HG22 THR 83 22.699 21.588 -13.411 624 HG23 THR 83 HG23 THR 83 21.286 20.624 -13.875 625 H GLY 84 H GLY 84 20.481 24.828 -15.621 626 HA2 GLY 84 HA2 GLY 84 21.188 23.442 -18.125 627 HA3 GLY 84 HA3 GLY 84 19.990 24.748 -18.244 628 H GLY 85 H GLY 85 23.219 24.070 -18.521 629 HA2 GLY 85 HA2 GLY 85 24.344 26.448 -19.037 630 HA3 GLY 85 HA3 GLY 85 24.277 26.512 -17.267 631 H SER 86 H SER 86 26.617 26.535 -17.231 632 HA SER 86 HA SER 86 28.161 24.303 -18.205 633 HB2 SER 86 HB2 SER 86 28.784 26.371 -16.060 634 HB3 SER 86 HB3 SER 86 29.955 25.288 -16.844 635 HG SER 86 HG SER 86 29.440 26.282 -18.823 636 H ASP 87 H ASP 87 29.405 22.820 -16.760 637 HA ASP 87 HA ASP 87 27.581 21.729 -14.707 638 HB2 ASP 87 HB2 ASP 87 28.823 19.680 -14.976 639 HB3 ASP 87 HB3 ASP 87 28.360 20.291 -16.573 640 H ASP 88 H ASP 88 30.118 23.868 -14.731 641 HA ASP 88 HA ASP 88 31.370 22.805 -12.264 642 HB2 ASP 88 HB2 ASP 88 32.792 23.403 -14.220 643 HB3 ASP 88 HB3 ASP 88 32.233 25.073 -14.092 644 H SER 89 H SER 89 28.767 24.701 -13.000 645 HA SER 89 HA SER 89 29.294 26.854 -11.076 646 HB2 SER 89 HB2 SER 89 27.081 27.668 -11.790 647 HB3 SER 89 HB3 SER 89 28.146 27.353 -13.178 648 HG SER 89 HG SER 89 26.049 26.469 -13.473 649 H VAL 90 H VAL 90 28.654 23.718 -10.583 650 HA VAL 90 HA VAL 90 26.779 24.244 -8.326 651 HB VAL 90 HB VAL 90 26.045 21.879 -8.629 652 HG11 VAL 90 HG11 VAL 90 24.644 23.769 -9.323 653 HG12 VAL 90 HG12 VAL 90 25.412 23.766 -10.925 654 HG13 VAL 90 HG13 VAL 90 24.431 22.375 -10.395 655 HG21 VAL 90 HG21 VAL 90 27.906 21.100 -10.072 656 HG22 VAL 90 HG22 VAL 90 26.321 20.814 -10.820 657 HG23 VAL 90 HG23 VAL 90 27.334 22.167 -11.376 658 H ASP 91 H ASP 91 26.974 22.927 -6.488 659 HA ASP 91 HA ASP 91 29.735 22.456 -5.729 660 HB2 ASP 91 HB2 ASP 91 28.069 23.569 -4.284 661 HB3 ASP 91 HB3 ASP 91 27.114 22.087 -4.239 662 H SER 92 H SER 92 30.177 20.424 -4.316 663 HA SER 92 HA SER 92 30.218 18.196 -6.051 664 HB2 SER 92 HB2 SER 92 30.639 18.340 -3.042 665 HB3 SER 92 HB3 SER 92 31.168 17.017 -4.107 666 HG SER 92 HG SER 92 32.828 18.543 -3.718 667 H ARG 93 H ARG 93 27.679 19.226 -3.848 668 HA ARG 93 HA ARG 93 26.559 16.570 -3.509 669 HB2 ARG 93 HB2 ARG 93 24.578 17.743 -2.678 670 HB3 ARG 93 HB3 ARG 93 26.060 18.342 -1.916 671 HG2 ARG 93 HG2 ARG 93 26.045 20.331 -3.324 672 HG3 ARG 93 HG3 ARG 93 24.706 19.682 -4.299 673 HD2 ARG 93 HD2 ARG 93 23.938 21.386 -2.675 674 HD3 ARG 93 HD3 ARG 93 23.183 19.798 -2.448 675 HE ARG 93 HE ARG 93 25.544 20.178 -0.790 676 HH11 ARG 93 HH11 ARG 93 22.082 20.850 -1.074 677 HH12 ARG 93 HH12 ARG 93 21.841 20.915 0.661 678 HH21 ARG 93 HH21 ARG 93 25.170 20.255 1.486 679 HH22 ARG 93 HH22 ARG 93 23.548 20.532 2.084 680 H PHE 94 H PHE 94 26.418 19.000 -6.049 681 HA PHE 94 HA PHE 94 24.140 17.707 -7.382 682 HB2 PHE 94 HB2 PHE 94 26.114 19.790 -8.353 683 HB3 PHE 94 HB3 PHE 94 24.609 19.333 -9.155 684 HD1 PHE 94 HD1 PHE 94 22.559 20.412 -8.614 685 HD2 PHE 94 HD2 PHE 94 25.983 20.907 -6.064 686 HE1 PHE 94 HE1 PHE 94 21.354 22.155 -7.333 687 HE2 PHE 94 HE2 PHE 94 24.778 22.658 -4.783 688 HZ PHE 94 HZ PHE 94 22.448 23.270 -5.414 689 H ARG 95 H ARG 95 27.592 17.421 -7.171 690 HA ARG 95 HA ARG 95 27.825 15.874 -9.665 691 HB2 ARG 95 HB2 ARG 95 29.843 16.422 -7.457 692 HB3 ARG 95 HB3 ARG 95 30.206 15.756 -9.052 693 HG2 ARG 95 HG2 ARG 95 29.116 18.547 -8.471 694 HG3 ARG 95 HG3 ARG 95 30.772 18.146 -8.942 695 HD2 ARG 95 HD2 ARG 95 28.285 17.707 -10.642 696 HD3 ARG 95 HD3 ARG 95 29.463 19.013 -10.825 697 HE ARG 95 HE ARG 95 30.328 16.163 -11.047 698 HH11 ARG 95 HH11 ARG 95 29.966 19.368 -12.538 699 HH12 ARG 95 HH12 ARG 95 30.920 18.938 -13.928 700 HH21 ARG 95 HH21 ARG 95 31.582 15.660 -12.878 701 HH22 ARG 95 HH22 ARG 95 31.829 16.870 -14.118 702 H ASP 96 H ASP 96 26.864 15.288 -6.456 703 HA ASP 96 HA ASP 96 27.600 12.406 -6.650 704 HB2 ASP 96 HB2 ASP 96 28.399 13.649 -4.666 705 HB3 ASP 96 HB3 ASP 96 26.728 14.069 -4.258 706 H ARG 97 H ARG 97 24.967 14.624 -6.927 707 HA ARG 97 HA ARG 97 22.999 12.398 -6.705 708 HB2 ARG 97 HB2 ARG 97 22.672 15.423 -6.587 709 HB3 ARG 97 HB3 ARG 97 21.319 14.295 -6.626 710 HG2 ARG 97 HG2 ARG 97 23.465 14.394 -4.460 711 HG3 ARG 97 HG3 ARG 97 21.823 15.044 -4.322 712 HD2 ARG 97 HD2 ARG 97 22.564 12.121 -4.741 713 HD3 ARG 97 HD3 ARG 97 21.996 12.854 -3.231 714 HE ARG 97 HE ARG 97 19.986 13.472 -4.990 715 HH11 ARG 97 HH11 ARG 97 21.586 10.457 -4.078 716 HH12 ARG 97 HH12 ARG 97 20.187 9.470 -4.428 717 HH21 ARG 97 HH21 ARG 97 18.174 12.157 -5.461 718 HH22 ARG 97 HH22 ARG 97 18.264 10.432 -5.198 719 HA PRO 98 HA PRO 98 22.425 12.512 -11.070 720 HB2 PRO 98 HB2 PRO 98 19.739 12.053 -11.376 721 HB3 PRO 98 HB3 PRO 98 20.896 10.799 -10.827 722 HG2 PRO 98 HG2 PRO 98 19.140 12.578 -9.111 723 HG3 PRO 98 HG3 PRO 98 19.323 10.793 -9.019 724 HD2 PRO 98 HD2 PRO 98 20.714 12.429 -7.372 725 HD3 PRO 98 HD3 PRO 98 21.502 10.986 -8.085 726 H VAL 99 H VAL 99 21.700 13.851 -12.780 727 HA VAL 99 HA VAL 99 20.308 16.358 -12.015 728 HB VAL 99 HB VAL 99 21.960 17.649 -13.325 729 HG11 VAL 99 HG11 VAL 99 23.192 16.078 -11.021 730 HG12 VAL 99 HG12 VAL 99 23.724 17.661 -11.625 731 HG13 VAL 99 HG13 VAL 99 22.133 17.495 -10.855 732 HG21 VAL 99 HG21 VAL 99 24.149 16.666 -13.867 733 HG22 VAL 99 HG22 VAL 99 23.599 15.079 -13.291 734 HG23 VAL 99 HG23 VAL 99 22.858 15.818 -14.733 735 H LEU 100 H LEU 100 19.389 17.517 -13.778 736 HA LEU 100 HA LEU 100 19.016 15.973 -16.298 737 HB2 LEU 100 HB2 LEU 100 16.863 17.187 -14.517 738 HB3 LEU 100 HB3 LEU 100 16.581 16.568 -16.146 739 HG LEU 100 HG LEU 100 17.662 14.881 -13.848 740 HD11 LEU 100 HD11 LEU 100 15.398 13.943 -13.738 741 HD12 LEU 100 HD12 LEU 100 15.357 15.691 -13.422 742 HD13 LEU 100 HD13 LEU 100 14.850 15.069 -15.008 743 HD21 LEU 100 HD21 LEU 100 18.243 14.038 -16.109 744 HD22 LEU 100 HD22 LEU 100 17.032 12.998 -15.336 745 HD23 LEU 100 HD23 LEU 100 16.534 14.163 -16.592 746 H GLN 101 H GLN 101 18.327 17.260 -18.086 747 HA GLN 101 HA GLN 101 19.158 20.065 -17.957 748 HB2 GLN 101 HB2 GLN 101 18.543 20.024 -20.382 749 HB3 GLN 101 HB3 GLN 101 19.792 18.857 -19.915 750 HG2 GLN 101 HG2 GLN 101 18.169 17.034 -19.912 751 HG3 GLN 101 HG3 GLN 101 16.842 18.163 -20.200 752 HE21 GLN 101 HE21 GLN 101 17.522 16.687 -23.492 753 HE22 GLN 101 HE22 GLN 101 16.790 16.258 -21.960 754 H LYS 102 H LYS 102 17.671 21.825 -18.702 755 HA LYS 102 HA LYS 102 15.247 21.688 -17.169 756 HB2 LYS 102 HB2 LYS 102 16.207 23.803 -19.130 757 HB3 LYS 102 HB3 LYS 102 14.816 23.953 -18.040 758 HG2 LYS 102 HG2 LYS 102 16.328 23.606 -16.086 759 HG3 LYS 102 HG3 LYS 102 17.703 23.476 -17.200 760 HD2 LYS 102 HD2 LYS 102 17.676 25.735 -16.349 761 HD3 LYS 102 HD3 LYS 102 17.188 25.773 -18.050 762 HE2 LYS 102 HE2 LYS 102 15.698 27.236 -16.870 763 HE3 LYS 102 HE3 LYS 102 14.770 25.786 -17.262 764 HZ1 LYS 102 HZ1 LYS 102 14.422 26.456 -14.995 765 HZ2 LYS 102 HZ2 LYS 102 15.205 25.018 -14.988 766 HZ3 LYS 102 HZ3 LYS 102 16.022 26.399 -14.660 767 HA PRO 103 HA PRO 103 12.839 21.414 -21.252 768 HB2 PRO 103 HB2 PRO 103 14.054 20.975 -23.644 769 HB3 PRO 103 HB3 PRO 103 13.927 22.626 -22.944 770 HG2 PRO 103 HG2 PRO 103 16.279 20.709 -22.773 771 HG3 PRO 103 HG3 PRO 103 16.293 22.434 -23.272 772 HD2 PRO 103 HD2 PRO 103 16.890 21.666 -20.730 773 HD3 PRO 103 HD3 PRO 103 15.978 23.174 -21.060 774 H PHE 104 H PHE 104 11.849 19.444 -21.755 775 HA PHE 104 HA PHE 104 13.515 17.023 -21.238 776 HB2 PHE 104 HB2 PHE 104 10.634 17.721 -20.736 777 HB3 PHE 104 HB3 PHE 104 11.099 16.045 -20.994 778 HD1 PHE 104 HD1 PHE 104 10.212 15.511 -18.786 779 HD2 PHE 104 HD2 PHE 104 13.566 18.179 -19.278 780 HE1 PHE 104 HE1 PHE 104 10.822 15.214 -16.400 781 HE2 PHE 104 HE2 PHE 104 14.139 17.893 -16.896 782 HZ PHE 104 HZ PHE 104 12.772 16.422 -15.450 783 H THR 105 H THR 105 13.094 15.123 -22.390 784 HA THR 105 HA THR 105 11.658 15.326 -24.975 785 HB THR 105 HB THR 105 13.493 14.108 -26.083 786 HG1 THR 105 HG1 THR 105 15.487 13.971 -24.970 787 HG21 THR 105 HG21 THR 105 14.503 16.663 -24.759 788 HG22 THR 105 HG22 THR 105 15.104 15.942 -26.268 789 HG23 THR 105 HG23 THR 105 13.456 16.596 -26.195 790 H MET 106 H MET 106 11.262 13.029 -25.834 791 HA MET 106 HA MET 106 10.040 11.556 -23.718 792 HB2 MET 106 HB2 MET 106 9.291 11.669 -26.092 793 HB3 MET 106 HB3 MET 106 10.668 10.651 -26.557 794 HG2 MET 106 HG2 MET 106 9.851 8.852 -25.101 795 HG3 MET 106 HG3 MET 106 8.540 9.886 -24.517 796 HE1 MET 106 HE1 MET 106 6.470 10.610 -25.875 797 HE2 MET 106 HE2 MET 106 7.477 11.323 -27.155 798 HE3 MET 106 HE3 MET 106 6.172 10.191 -27.575 799 H ASP 107 H ASP 107 13.215 11.330 -25.283 800 HA ASP 107 HA ASP 107 13.813 8.749 -24.030 801 HB2 ASP 107 HB2 ASP 107 14.684 9.353 -26.257 802 HB3 ASP 107 HB3 ASP 107 15.553 10.724 -25.552 803 H GLY 108 H GLY 108 14.283 12.203 -23.362 804 HA2 GLY 108 HA2 GLY 108 16.378 11.800 -21.397 805 HA3 GLY 108 HA3 GLY 108 15.487 13.294 -21.740 806 H VAL 109 H VAL 109 12.813 11.958 -21.322 807 HA VAL 109 HA VAL 109 12.786 12.253 -18.411 808 HB VAL 109 HB VAL 109 11.060 13.242 -19.929 809 HG11 VAL 109 HG11 VAL 109 9.289 11.829 -20.822 810 HG12 VAL 109 HG12 VAL 109 10.848 11.289 -21.481 811 HG13 VAL 109 HG13 VAL 109 10.071 10.367 -20.179 812 HG21 VAL 109 HG21 VAL 109 9.181 12.731 -18.462 813 HG22 VAL 109 HG22 VAL 109 9.995 11.260 -17.877 814 HG23 VAL 109 HG23 VAL 109 10.675 12.866 -17.512 815 H ALA 110 H ALA 110 12.808 9.630 -20.775 816 HA ALA 110 HA ALA 110 11.861 7.599 -18.966 817 HB1 ALA 110 HB1 ALA 110 13.623 7.423 -21.451 818 HB2 ALA 110 HB2 ALA 110 12.796 6.061 -20.659 819 HB3 ALA 110 HB3 ALA 110 11.843 7.347 -21.422 820 H LYS 111 H LYS 111 14.984 9.165 -19.570 821 HA LYS 111 HA LYS 111 16.431 7.251 -17.887 822 HB2 LYS 111 HB2 LYS 111 17.205 9.837 -19.282 823 HB3 LYS 111 HB3 LYS 111 18.317 8.889 -18.272 824 HG2 LYS 111 HG2 LYS 111 17.988 6.918 -19.700 825 HG3 LYS 111 HG3 LYS 111 16.866 7.834 -20.733 826 HD2 LYS 111 HD2 LYS 111 18.659 9.406 -21.330 827 HD3 LYS 111 HD3 LYS 111 19.769 8.591 -20.207 828 HE2 LYS 111 HE2 LYS 111 20.223 7.832 -22.482 829 HE3 LYS 111 HE3 LYS 111 19.567 6.498 -21.518 830 HZ1 LYS 111 HZ1 LYS 111 18.541 6.601 -23.666 831 HZ2 LYS 111 HZ2 LYS 111 17.418 6.944 -22.517 832 HZ3 LYS 111 HZ3 LYS 111 18.056 8.149 -23.431 833 H ALA 112 H ALA 112 14.638 10.235 -17.472 834 HA ALA 112 HA ALA 112 15.962 11.051 -15.035 835 HB1 ALA 112 HB1 ALA 112 13.190 11.685 -16.132 836 HB2 ALA 112 HB2 ALA 112 14.012 12.550 -14.816 837 HB3 ALA 112 HB3 ALA 112 14.677 12.606 -16.464 838 H LEU 113 H LEU 113 13.046 9.103 -15.820 839 HA LEU 113 HA LEU 113 12.453 8.668 -12.995 840 HB2 LEU 113 HB2 LEU 113 11.375 7.398 -15.540 841 HB3 LEU 113 HB3 LEU 113 10.735 7.114 -13.914 842 HG LEU 113 HG LEU 113 10.825 9.819 -15.320 843 HD11 LEU 113 HD11 LEU 113 8.513 7.928 -14.730 844 HD12 LEU 113 HD12 LEU 113 8.384 9.540 -15.472 845 HD13 LEU 113 HD13 LEU 113 9.236 8.229 -16.324 846 HD21 LEU 113 HD21 LEU 113 10.942 10.084 -12.883 847 HD22 LEU 113 HD22 LEU 113 9.328 10.526 -13.459 848 HD23 LEU 113 HD23 LEU 113 9.587 8.949 -12.672 849 H ALA 114 H ALA 114 14.344 7.033 -15.524 850 HA ALA 114 HA ALA 114 14.562 4.560 -14.038 851 HB1 ALA 114 HB1 ALA 114 16.308 5.754 -16.228 852 HB2 ALA 114 HB2 ALA 114 16.371 4.074 -15.651 853 HB3 ALA 114 HB3 ALA 114 14.911 4.673 -16.468 854 H ALA 115 H ALA 115 16.078 7.714 -13.794 855 HA ALA 115 HA ALA 115 18.311 6.683 -12.193 856 HB1 ALA 115 HB1 ALA 115 17.405 9.512 -12.853 857 HB2 ALA 115 HB2 ALA 115 18.922 9.067 -12.030 858 HB3 ALA 115 HB3 ALA 115 18.646 8.580 -13.717 859 H LEU 116 H LEU 116 15.040 7.865 -11.698 860 HA LEU 116 HA LEU 116 15.564 8.449 -8.862 861 HB2 LEU 116 HB2 LEU 116 14.143 9.800 -10.530 862 HB3 LEU 116 HB3 LEU 116 12.890 8.576 -10.280 863 HG LEU 116 HG LEU 116 14.211 10.246 -8.092 864 HD11 LEU 116 HD11 LEU 116 11.487 10.530 -9.423 865 HD12 LEU 116 HD12 LEU 116 12.121 11.543 -8.105 866 HD13 LEU 116 HD13 LEU 116 12.890 11.589 -9.704 867 HD21 LEU 116 HD21 LEU 116 12.240 9.537 -6.734 868 HD22 LEU 116 HD22 LEU 116 11.752 8.441 -8.043 869 HD23 LEU 116 HD23 LEU 116 13.282 8.176 -7.162 870 H LEU 117 H LEU 117 13.446 6.255 -10.783 871 HA LEU 117 HA LEU 117 12.555 4.780 -8.486 872 HB2 LEU 117 HB2 LEU 117 12.323 4.417 -11.490 873 HB3 LEU 117 HB3 LEU 117 11.759 3.183 -10.364 874 HG LEU 117 HG LEU 117 10.224 4.740 -9.302 875 HD11 LEU 117 HD11 LEU 117 11.122 6.753 -11.413 876 HD12 LEU 117 HD12 LEU 117 9.707 6.928 -10.358 877 HD13 LEU 117 HD13 LEU 117 11.325 6.904 -9.643 878 HD21 LEU 117 HD21 LEU 117 8.654 4.916 -11.186 879 HD22 LEU 117 HD22 LEU 117 9.993 4.701 -12.337 880 HD23 LEU 117 HD23 LEU 117 9.533 3.375 -11.239 881 H VAL 118 H VAL 118 15.632 4.786 -9.626 882 HA VAL 118 HA VAL 118 16.014 1.974 -8.734 883 HB VAL 118 HB VAL 118 17.460 3.241 -11.086 884 HG11 VAL 118 HG11 VAL 118 17.532 0.442 -9.887 885 HG12 VAL 118 HG12 VAL 118 18.385 0.959 -11.362 886 HG13 VAL 118 HG13 VAL 118 18.834 1.652 -9.790 887 HG21 VAL 118 HG21 VAL 118 15.149 2.649 -11.715 888 HG22 VAL 118 HG22 VAL 118 16.290 1.489 -12.423 889 HG23 VAL 118 HG23 VAL 118 15.344 1.040 -10.983 Start of MODEL 7 1 H1 MET 1 H1 NME 1 7.453 -4.585 -1.452 2 H2 MET 1 H2 NME 1 8.839 -4.073 -0.738 3 H3 MET 1 H3 NME 1 8.859 -5.417 -1.685 4 HA MET 1 HA NME 1 9.828 -3.577 -2.849 5 HB2 MET 1 HB2 NME 1 8.608 -5.330 -4.103 6 HB3 MET 1 HB3 NME 1 7.117 -4.379 -3.966 7 HG2 MET 1 HG2 NME 1 8.167 -2.536 -5.215 8 HG3 MET 1 HG3 NME 1 9.692 -3.430 -5.282 9 HE1 MET 1 HE1 NME 1 8.314 -2.109 -7.791 10 HE2 MET 1 HE2 NME 1 9.838 -3.038 -7.867 11 HE3 MET 1 HE3 NME 1 8.518 -3.392 -9.006 12 H SER 2 H SER 2 9.699 -1.444 -3.629 13 HA SER 2 HA SER 2 7.329 0.164 -2.921 14 HB2 SER 2 HB2 SER 2 8.844 0.238 -0.940 15 HB3 SER 2 HB3 SER 2 10.146 0.845 -1.986 16 HG SER 2 HG SER 2 8.974 2.514 -0.920 17 H ALA 3 H ALA 3 7.358 2.275 -3.947 18 HA ALA 3 HA ALA 3 9.304 2.748 -6.097 19 HB1 ALA 3 HB1 ALA 3 7.563 2.773 -7.846 20 HB2 ALA 3 HB2 ALA 3 7.689 1.156 -7.120 21 HB3 ALA 3 HB3 ALA 3 6.352 2.232 -6.663 22 H LEU 4 H LEU 4 8.686 4.776 -7.307 23 HA LEU 4 HA LEU 4 7.121 6.655 -5.663 24 HB2 LEU 4 HB2 LEU 4 8.909 8.363 -5.879 25 HB3 LEU 4 HB3 LEU 4 9.341 7.021 -4.824 26 HG LEU 4 HG LEU 4 10.231 7.026 -7.724 27 HD11 LEU 4 HD11 LEU 4 12.310 8.128 -6.962 28 HD12 LEU 4 HD12 LEU 4 10.901 9.188 -6.763 29 HD13 LEU 4 HD13 LEU 4 11.598 8.355 -5.347 30 HD21 LEU 4 HD21 LEU 4 10.613 4.944 -6.497 31 HD22 LEU 4 HD22 LEU 4 12.151 5.787 -6.746 32 HD23 LEU 4 HD23 LEU 4 11.360 5.843 -5.152 33 H THR 5 H THR 5 5.722 5.951 -7.548 34 HA THR 5 HA THR 5 6.316 7.068 -10.158 35 HB THR 5 HB THR 5 3.709 6.735 -10.306 36 HG1 THR 5 HG1 THR 5 3.013 5.202 -8.752 37 HG21 THR 5 HG21 THR 5 5.376 5.240 -11.360 38 HG22 THR 5 HG22 THR 5 5.533 4.344 -9.825 39 HG23 THR 5 HG23 THR 5 3.984 4.353 -10.706 40 H GLN 6 H GLN 6 5.221 8.381 -7.135 41 HA GLN 6 HA GLN 6 3.688 10.491 -8.533 42 HB2 GLN 6 HB2 GLN 6 3.731 9.682 -5.599 43 HB3 GLN 6 HB3 GLN 6 2.654 10.874 -6.337 44 HG2 GLN 6 HG2 GLN 6 1.806 9.129 -7.913 45 HG3 GLN 6 HG3 GLN 6 2.805 7.918 -7.101 46 HE21 GLN 6 HE21 GLN 6 -0.515 7.423 -5.705 47 HE22 GLN 6 HE22 GLN 6 0.368 7.163 -7.197 48 H ILE 7 H ILE 7 4.890 12.132 -9.109 49 HA ILE 7 HA ILE 7 7.082 13.005 -7.285 50 HB ILE 7 HB ILE 7 6.927 13.135 -10.317 51 HG12 ILE 7 HG12 ILE 7 7.158 10.806 -9.668 52 HG13 ILE 7 HG13 ILE 7 8.714 11.406 -10.255 53 HG21 ILE 7 HG21 ILE 7 9.149 13.796 -8.340 54 HG22 ILE 7 HG22 ILE 7 9.352 13.696 -10.104 55 HG23 ILE 7 HG23 ILE 7 8.285 14.926 -9.403 56 HD11 ILE 7 HD11 ILE 7 9.458 11.719 -7.892 57 HD12 ILE 7 HD12 ILE 7 7.901 11.051 -7.340 58 HD13 ILE 7 HD13 ILE 7 9.035 10.035 -8.246 59 H LEU 8 H LEU 8 7.077 15.018 -6.573 60 HA LEU 8 HA LEU 8 5.039 16.912 -7.524 61 HB2 LEU 8 HB2 LEU 8 5.795 16.305 -5.061 62 HB3 LEU 8 HB3 LEU 8 7.089 17.460 -5.374 63 HG LEU 8 HG LEU 8 4.087 17.949 -5.363 64 HD11 LEU 8 HD11 LEU 8 6.388 19.058 -3.704 65 HD12 LEU 8 HD12 LEU 8 4.672 19.481 -3.516 66 HD13 LEU 8 HD13 LEU 8 5.229 17.830 -3.164 67 HD21 LEU 8 HD21 LEU 8 4.641 20.355 -5.721 68 HD22 LEU 8 HD22 LEU 8 6.310 19.884 -6.121 69 HD23 LEU 8 HD23 LEU 8 4.942 19.351 -7.142 70 H ILE 9 H ILE 9 5.486 18.574 -8.888 71 HA ILE 9 HA ILE 9 8.271 18.952 -9.810 72 HB ILE 9 HB ILE 9 5.586 19.912 -10.857 73 HG12 ILE 9 HG12 ILE 9 7.509 17.769 -11.870 74 HG13 ILE 9 HG13 ILE 9 5.984 17.464 -11.030 75 HG21 ILE 9 HG21 ILE 9 6.787 20.648 -12.851 76 HG22 ILE 9 HG22 ILE 9 7.435 21.477 -11.431 77 HG23 ILE 9 HG23 ILE 9 8.338 20.118 -12.151 78 HD11 ILE 9 HD11 ILE 9 6.300 18.800 -13.750 79 HD12 ILE 9 HD12 ILE 9 5.621 17.204 -13.421 80 HD13 ILE 9 HD13 ILE 9 4.761 18.656 -12.863 81 H VAL 10 H VAL 10 9.475 20.704 -9.238 82 HA VAL 10 HA VAL 10 8.074 23.034 -8.000 83 HB VAL 10 HB VAL 10 10.687 21.796 -7.066 84 HG11 VAL 10 HG11 VAL 10 10.547 24.220 -6.706 85 HG12 VAL 10 HG12 VAL 10 8.959 24.032 -5.925 86 HG13 VAL 10 HG13 VAL 10 10.413 23.351 -5.164 87 HG21 VAL 10 HG21 VAL 10 8.811 20.319 -6.470 88 HG22 VAL 10 HG22 VAL 10 9.423 21.155 -5.030 89 HG23 VAL 10 HG23 VAL 10 7.917 21.705 -5.805 90 H GLU 11 H GLU 11 8.297 24.538 -9.592 91 HA GLU 11 HA GLU 11 10.987 25.374 -10.353 92 HB2 GLU 11 HB2 GLU 11 10.518 23.486 -11.881 93 HB3 GLU 11 HB3 GLU 11 9.028 24.279 -12.414 94 HG2 GLU 11 HG2 GLU 11 10.313 26.130 -13.361 95 HG3 GLU 11 HG3 GLU 11 11.809 25.495 -12.655 96 H ASP 12 H ASP 12 11.014 27.531 -11.080 97 HA ASP 12 HA ASP 12 8.505 28.978 -10.514 98 HB2 ASP 12 HB2 ASP 12 10.581 29.564 -9.326 99 HB3 ASP 12 HB3 ASP 12 11.360 29.954 -10.870 100 H GLU 13 H GLU 13 10.086 27.806 -13.266 101 HA GLU 13 HA GLU 13 9.112 30.024 -14.987 102 HB2 GLU 13 HB2 GLU 13 11.413 29.269 -15.308 103 HB3 GLU 13 HB3 GLU 13 10.862 27.602 -15.552 104 HG2 GLU 13 HG2 GLU 13 11.338 28.693 -17.695 105 HG3 GLU 13 HG3 GLU 13 9.634 28.263 -17.567 106 HA PRO 14 HA PRO 14 5.564 27.236 -15.141 107 HB2 PRO 14 HB2 PRO 14 3.786 28.905 -16.388 108 HB3 PRO 14 HB3 PRO 14 4.271 29.097 -14.674 109 HG2 PRO 14 HG2 PRO 14 5.430 30.512 -17.098 110 HG3 PRO 14 HG3 PRO 14 4.824 31.258 -15.576 111 HD2 PRO 14 HD2 PRO 14 7.459 30.763 -15.920 112 HD3 PRO 14 HD3 PRO 14 6.675 30.445 -14.340 113 H LEU 15 H LEU 15 7.286 28.683 -17.846 114 HA LEU 15 HA LEU 15 5.744 27.299 -19.883 115 HB2 LEU 15 HB2 LEU 15 6.951 29.412 -20.311 116 HB3 LEU 15 HB3 LEU 15 8.491 28.616 -19.948 117 HG LEU 15 HG LEU 15 8.173 27.094 -21.866 118 HD11 LEU 15 HD11 LEU 15 5.661 28.759 -22.361 119 HD12 LEU 15 HD12 LEU 15 6.361 27.598 -23.513 120 HD13 LEU 15 HD13 LEU 15 5.706 27.022 -21.968 121 HD21 LEU 15 HD21 LEU 15 9.361 29.239 -22.164 122 HD22 LEU 15 HD22 LEU 15 8.475 28.789 -23.640 123 HD23 LEU 15 HD23 LEU 15 7.821 30.039 -22.554 124 H ILE 16 H ILE 16 8.813 26.715 -18.105 125 HA ILE 16 HA ILE 16 9.251 24.220 -19.603 126 HB ILE 16 HB ILE 16 10.793 25.510 -17.322 127 HG12 ILE 16 HG12 ILE 16 10.813 26.937 -19.306 128 HG13 ILE 16 HG13 ILE 16 12.394 26.204 -19.049 129 HG21 ILE 16 HG21 ILE 16 12.634 23.994 -18.098 130 HG22 ILE 16 HG22 ILE 16 11.251 23.119 -17.419 131 HG23 ILE 16 HG23 ILE 16 11.473 23.195 -19.181 132 HD11 ILE 16 HD11 ILE 16 10.314 25.274 -21.077 133 HD12 ILE 16 HD12 ILE 16 11.786 26.202 -21.428 134 HD13 ILE 16 HD13 ILE 16 11.922 24.541 -20.822 135 H ALA 17 H ALA 17 7.877 25.298 -16.528 136 HA ALA 17 HA ALA 17 7.950 22.716 -15.261 137 HB1 ALA 17 HB1 ALA 17 6.034 25.055 -14.864 138 HB2 ALA 17 HB2 ALA 17 6.294 23.706 -13.736 139 HB3 ALA 17 HB3 ALA 17 7.600 24.870 -14.048 140 H MET 18 H MET 18 5.602 24.411 -17.398 141 HA MET 18 HA MET 18 3.659 22.278 -17.256 142 HB2 MET 18 HB2 MET 18 3.100 24.644 -17.751 143 HB3 MET 18 HB3 MET 18 4.025 24.535 -19.263 144 HG2 MET 18 HG2 MET 18 1.628 24.261 -19.677 145 HG3 MET 18 HG3 MET 18 2.501 22.777 -20.071 146 HE1 MET 18 HE1 MET 18 -0.949 21.405 -18.911 147 HE2 MET 18 HE2 MET 18 -0.619 22.888 -19.840 148 HE3 MET 18 HE3 MET 18 0.298 21.405 -20.178 149 H MET 19 H MET 19 6.528 22.992 -19.207 150 HA MET 19 HA MET 19 5.970 21.200 -21.363 151 HB2 MET 19 HB2 MET 19 7.675 22.982 -21.432 152 HB3 MET 19 HB3 MET 19 8.606 22.155 -20.165 153 HG2 MET 19 HG2 MET 19 8.929 20.221 -21.648 154 HG3 MET 19 HG3 MET 19 7.984 21.019 -22.910 155 HE1 MET 19 HE1 MET 19 11.681 21.042 -24.285 156 HE2 MET 19 HE2 MET 19 11.031 19.809 -23.181 157 HE3 MET 19 HE3 MET 19 10.023 20.432 -24.508 158 H LEU 20 H LEU 20 7.328 20.733 -18.075 159 HA LEU 20 HA LEU 20 8.096 17.996 -18.679 160 HB2 LEU 20 HB2 LEU 20 9.207 19.442 -16.968 161 HB3 LEU 20 HB3 LEU 20 7.769 19.299 -15.945 162 HG LEU 20 HG LEU 20 8.981 16.767 -17.054 163 HD11 LEU 20 HD11 LEU 20 10.946 17.998 -16.344 164 HD12 LEU 20 HD12 LEU 20 10.179 18.376 -14.777 165 HD13 LEU 20 HD13 LEU 20 10.608 16.694 -15.185 166 HD21 LEU 20 HD21 LEU 20 8.355 15.849 -14.891 167 HD22 LEU 20 HD22 LEU 20 7.986 17.471 -14.262 168 HD23 LEU 20 HD23 LEU 20 6.954 16.746 -15.510 169 H GLU 21 H GLU 21 5.204 19.642 -17.402 170 HA GLU 21 HA GLU 21 3.945 17.222 -16.491 171 HB2 GLU 21 HB2 GLU 21 2.805 19.921 -17.312 172 HB3 GLU 21 HB3 GLU 21 1.854 18.596 -16.616 173 HG2 GLU 21 HG2 GLU 21 3.356 18.600 -14.614 174 HG3 GLU 21 HG3 GLU 21 4.220 19.982 -15.289 175 H ASP 22 H ASP 22 4.438 18.648 -19.681 176 HA ASP 22 HA ASP 22 2.345 17.080 -20.952 177 HB2 ASP 22 HB2 ASP 22 4.843 18.436 -22.042 178 HB3 ASP 22 HB3 ASP 22 3.632 17.629 -23.044 179 H PHE 23 H PHE 23 5.909 16.661 -20.373 180 HA PHE 23 HA PHE 23 5.890 14.067 -21.654 181 HB2 PHE 23 HB2 PHE 23 7.859 15.412 -19.778 182 HB3 PHE 23 HB3 PHE 23 8.125 13.844 -20.551 183 HD1 PHE 23 HD1 PHE 23 7.759 13.800 -23.179 184 HD2 PHE 23 HD2 PHE 23 8.677 17.310 -20.873 185 HE1 PHE 23 HE1 PHE 23 8.567 14.934 -25.232 186 HE2 PHE 23 HE2 PHE 23 9.435 18.459 -22.937 187 HZ PHE 23 HZ PHE 23 9.393 17.271 -25.115 188 H LEU 24 H LEU 24 4.738 15.161 -18.584 189 HA LEU 24 HA LEU 24 5.212 12.658 -17.194 190 HB2 LEU 24 HB2 LEU 24 5.027 14.866 -16.074 191 HB3 LEU 24 HB3 LEU 24 3.342 14.986 -16.596 192 HG LEU 24 HG LEU 24 2.746 13.022 -15.252 193 HD11 LEU 24 HD11 LEU 24 4.412 12.083 -13.652 194 HD12 LEU 24 HD12 LEU 24 4.854 11.754 -15.341 195 HD13 LEU 24 HD13 LEU 24 5.684 13.048 -14.436 196 HD21 LEU 24 HD21 LEU 24 3.141 14.024 -13.027 197 HD22 LEU 24 HD22 LEU 24 4.384 15.084 -13.723 198 HD23 LEU 24 HD23 LEU 24 2.686 15.263 -14.224 199 H GLU 25 H GLU 25 2.724 14.003 -19.305 200 HA GLU 25 HA GLU 25 0.818 11.846 -18.715 201 HB2 GLU 25 HB2 GLU 25 0.895 14.063 -20.798 202 HB3 GLU 25 HB3 GLU 25 -0.442 12.904 -20.614 203 HG2 GLU 25 HG2 GLU 25 0.531 14.806 -18.446 204 HG3 GLU 25 HG3 GLU 25 -0.873 15.080 -19.477 205 H VAL 26 H VAL 26 3.448 12.505 -20.977 206 HA VAL 26 HA VAL 26 2.717 10.308 -22.764 207 HB VAL 26 HB VAL 26 5.216 12.027 -22.483 208 HG11 VAL 26 HG11 VAL 26 4.461 10.007 -24.639 209 HG12 VAL 26 HG12 VAL 26 5.804 11.167 -24.748 210 HG13 VAL 26 HG13 VAL 26 5.845 9.885 -23.522 211 HG21 VAL 26 HG21 VAL 26 3.157 13.210 -23.259 212 HG22 VAL 26 HG22 VAL 26 4.369 13.080 -24.545 213 HG23 VAL 26 HG23 VAL 26 2.958 11.995 -24.538 214 H LEU 27 H LEU 27 4.362 10.688 -19.732 215 HA LEU 27 HA LEU 27 5.854 8.182 -19.982 216 HB2 LEU 27 HB2 LEU 27 6.723 10.254 -18.864 217 HB3 LEU 27 HB3 LEU 27 5.479 10.070 -17.622 218 HG LEU 27 HG LEU 27 6.485 7.888 -16.957 219 HD11 LEU 27 HD11 LEU 27 8.577 8.604 -19.070 220 HD12 LEU 27 HD12 LEU 27 8.740 7.311 -17.870 221 HD13 LEU 27 HD13 LEU 27 7.480 7.204 -19.113 222 HD21 LEU 27 HD21 LEU 27 8.532 8.862 -15.983 223 HD22 LEU 27 HD22 LEU 27 8.447 10.208 -17.138 224 HD23 LEU 27 HD23 LEU 27 7.180 10.016 -15.907 225 H ASP 28 H ASP 28 2.667 9.021 -19.337 226 HA ASP 28 HA ASP 28 0.908 8.052 -18.355 227 HB2 ASP 28 HB2 ASP 28 1.583 6.371 -20.067 228 HB3 ASP 28 HB3 ASP 28 2.421 5.459 -18.808 229 H LYS 29 H LYS 29 3.056 8.933 -16.547 230 HA LYS 29 HA LYS 29 2.886 7.032 -14.304 231 HB2 LYS 29 HB2 LYS 29 4.980 8.349 -15.161 232 HB3 LYS 29 HB3 LYS 29 4.291 9.699 -14.240 233 HG2 LYS 29 HG2 LYS 29 4.287 8.234 -12.202 234 HG3 LYS 29 HG3 LYS 29 4.934 6.901 -13.172 235 HD2 LYS 29 HD2 LYS 29 6.714 8.042 -11.874 236 HD3 LYS 29 HD3 LYS 29 6.979 8.159 -13.614 237 HE2 LYS 29 HE2 LYS 29 5.924 10.453 -13.554 238 HE3 LYS 29 HE3 LYS 29 5.810 10.311 -11.791 239 HZ1 LYS 29 HZ1 LYS 29 8.220 10.072 -11.757 240 HZ2 LYS 29 HZ2 LYS 29 8.287 10.245 -13.391 241 HZ3 LYS 29 HZ3 LYS 29 7.777 11.494 -12.455 242 H THR 30 H THR 30 2.792 8.605 -12.058 243 HA THR 30 HA THR 30 0.021 9.667 -12.283 244 HB THR 30 HB THR 30 1.464 8.316 -9.975 245 HG1 THR 30 HG1 THR 30 0.743 6.943 -11.618 246 HG21 THR 30 HG21 THR 30 -1.376 9.431 -10.210 247 HG22 THR 30 HG22 THR 30 -0.778 8.424 -8.876 248 HG23 THR 30 HG23 THR 30 -0.096 10.044 -9.138 249 HA PRO 31 HA PRO 31 2.019 13.514 -11.025 250 HB2 PRO 31 HB2 PRO 31 -0.019 15.199 -11.547 251 HB3 PRO 31 HB3 PRO 31 0.830 14.348 -12.885 252 HG2 PRO 31 HG2 PRO 31 -1.762 13.544 -11.526 253 HG3 PRO 31 HG3 PRO 31 -1.445 13.709 -13.287 254 HD2 PRO 31 HD2 PRO 31 -1.286 11.306 -11.967 255 HD3 PRO 31 HD3 PRO 31 -0.211 11.712 -13.343 256 H VAL 32 H VAL 32 1.609 15.176 -9.352 257 HA VAL 32 HA VAL 32 -0.560 14.526 -7.428 258 HB VAL 32 HB VAL 32 1.027 14.815 -5.540 259 HG11 VAL 32 HG11 VAL 32 1.967 12.596 -5.621 260 HG12 VAL 32 HG12 VAL 32 0.342 12.553 -6.343 261 HG13 VAL 32 HG13 VAL 32 1.793 12.524 -7.385 262 HG21 VAL 32 HG21 VAL 32 3.445 14.440 -5.949 263 HG22 VAL 32 HG22 VAL 32 3.168 14.503 -7.692 264 HG23 VAL 32 HG23 VAL 32 2.900 15.960 -6.692 265 H GLY 33 H GLY 33 1.800 16.866 -8.733 266 HA2 GLY 33 HA2 GLY 33 0.097 19.020 -8.685 267 HA3 GLY 33 HA3 GLY 33 0.814 19.035 -7.069 268 H THR 34 H THR 34 1.239 21.199 -8.527 269 HA THR 34 HA THR 34 4.153 21.087 -9.017 270 HB THR 34 HB THR 34 2.154 22.498 -10.834 271 HG1 THR 34 HG1 THR 34 2.909 21.012 -12.354 272 HG21 THR 34 HG21 THR 34 4.236 23.763 -10.641 273 HG22 THR 34 HG22 THR 34 5.196 22.286 -10.903 274 HG23 THR 34 HG23 THR 34 4.190 22.951 -12.215 275 H VAL 35 H VAL 35 5.215 22.913 -8.265 276 HA VAL 35 HA VAL 35 3.592 25.184 -7.273 277 HB VAL 35 HB VAL 35 4.872 25.172 -5.145 278 HG11 VAL 35 HG11 VAL 35 2.582 24.235 -5.273 279 HG12 VAL 35 HG12 VAL 35 3.264 22.629 -5.634 280 HG13 VAL 35 HG13 VAL 35 3.584 23.398 -4.066 281 HG21 VAL 35 HG21 VAL 35 5.704 22.364 -6.010 282 HG22 VAL 35 HG22 VAL 35 6.788 23.766 -5.881 283 HG23 VAL 35 HG23 VAL 35 6.003 23.104 -4.429 284 H ASP 36 H ASP 36 4.880 27.113 -6.828 285 HA ASP 36 HA ASP 36 7.142 27.256 -8.716 286 HB2 ASP 36 HB2 ASP 36 6.700 29.637 -8.760 287 HB3 ASP 36 HB3 ASP 36 5.221 28.729 -9.094 288 H THR 37 H THR 37 6.735 26.837 -5.419 289 HA THR 37 HA THR 37 9.499 27.776 -4.933 290 HB THR 37 HB THR 37 8.854 28.716 -2.751 291 HG1 THR 37 HG1 THR 37 6.641 29.077 -2.366 292 HG21 THR 37 HG21 THR 37 9.021 30.220 -4.726 293 HG22 THR 37 HG22 THR 37 7.280 30.005 -5.014 294 HG23 THR 37 HG23 THR 37 7.848 30.794 -3.523 295 H VAL 38 H VAL 38 10.476 26.716 -3.064 296 HA VAL 38 HA VAL 38 9.598 23.961 -2.884 297 HB VAL 38 HB VAL 38 11.984 24.638 -2.963 298 HG11 VAL 38 HG11 VAL 38 11.499 25.645 -0.129 299 HG12 VAL 38 HG12 VAL 38 13.072 25.511 -0.939 300 HG13 VAL 38 HG13 VAL 38 11.863 26.664 -1.540 301 HG21 VAL 38 HG21 VAL 38 11.246 23.191 -0.389 302 HG22 VAL 38 HG22 VAL 38 11.236 22.455 -2.005 303 HG23 VAL 38 HG23 VAL 38 12.761 23.053 -1.305 304 H ALA 39 H ALA 39 9.025 26.862 -1.005 305 HA ALA 39 HA ALA 39 8.366 25.570 1.469 306 HB1 ALA 39 HB1 ALA 39 7.371 28.193 0.268 307 HB2 ALA 39 HB2 ALA 39 7.237 27.703 1.971 308 HB3 ALA 39 HB3 ALA 39 8.836 27.982 1.264 309 H GLY 40 H GLY 40 6.638 26.050 -1.584 310 HA2 GLY 40 HA2 GLY 40 4.039 25.286 -0.536 311 HA3 GLY 40 HA3 GLY 40 4.521 25.426 -2.245 312 H ALA 41 H ALA 41 6.934 23.608 -1.612 313 HA ALA 41 HA ALA 41 5.557 21.094 -2.149 314 HB1 ALA 41 HB1 ALA 41 8.512 21.745 -1.794 315 HB2 ALA 41 HB2 ALA 41 7.850 20.219 -2.397 316 HB3 ALA 41 HB3 ALA 41 7.624 21.721 -3.335 317 H LEU 42 H LEU 42 7.162 22.685 0.605 318 HA LEU 42 HA LEU 42 7.271 20.302 2.247 319 HB2 LEU 42 HB2 LEU 42 7.319 23.278 2.896 320 HB3 LEU 42 HB3 LEU 42 7.556 22.005 4.095 321 HG LEU 42 HG LEU 42 9.316 22.396 1.641 322 HD11 LEU 42 HD11 LEU 42 9.741 23.110 4.575 323 HD12 LEU 42 HD12 LEU 42 10.956 23.268 3.281 324 HD13 LEU 42 HD13 LEU 42 9.482 24.265 3.250 325 HD21 LEU 42 HD21 LEU 42 9.625 20.644 4.118 326 HD22 LEU 42 HD22 LEU 42 9.306 20.073 2.463 327 HD23 LEU 42 HD23 LEU 42 10.846 20.870 2.841 328 H ALA 43 H ALA 43 4.862 22.863 1.628 329 HA ALA 43 HA ALA 43 3.154 22.020 3.820 330 HB1 ALA 43 HB1 ALA 43 2.633 23.814 1.412 331 HB2 ALA 43 HB2 ALA 43 1.588 23.658 2.842 332 HB3 ALA 43 HB3 ALA 43 3.219 24.343 3.007 333 H ARG 44 H ARG 44 3.560 21.097 0.438 334 HA ARG 44 HA ARG 44 0.944 19.758 0.360 335 HB2 ARG 44 HB2 ARG 44 1.937 20.978 -1.589 336 HB3 ARG 44 HB3 ARG 44 3.200 19.733 -1.668 337 HG2 ARG 44 HG2 ARG 44 1.410 17.993 -1.947 338 HG3 ARG 44 HG3 ARG 44 0.190 19.281 -1.936 339 HD2 ARG 44 HD2 ARG 44 2.473 19.030 -3.938 340 HD3 ARG 44 HD3 ARG 44 0.804 18.541 -4.235 341 HE ARG 44 HE ARG 44 1.792 21.339 -3.882 342 HH11 ARG 44 HH11 ARG 44 -0.791 19.111 -4.833 343 HH12 ARG 44 HH12 ARG 44 -1.764 20.373 -5.551 344 HH21 ARG 44 HH21 ARG 44 0.507 22.951 -4.850 345 HH22 ARG 44 HH22 ARG 44 -1.034 22.532 -5.558 346 H VAL 45 H VAL 45 4.359 18.888 0.906 347 HA VAL 45 HA VAL 45 3.777 16.049 0.541 348 HB VAL 45 HB VAL 45 5.946 17.222 -0.061 349 HG11 VAL 45 HG11 VAL 45 6.202 18.452 2.121 350 HG12 VAL 45 HG12 VAL 45 6.512 16.892 2.917 351 HG13 VAL 45 HG13 VAL 45 7.627 17.488 1.672 352 HG21 VAL 45 HG21 VAL 45 5.674 14.768 0.021 353 HG22 VAL 45 HG22 VAL 45 7.303 15.271 0.523 354 HG23 VAL 45 HG23 VAL 45 6.111 14.780 1.750 355 H GLU 46 H GLU 46 3.742 18.326 3.209 356 HA GLU 46 HA GLU 46 4.066 16.364 5.299 357 HB2 GLU 46 HB2 GLU 46 4.492 18.808 5.519 358 HB3 GLU 46 HB3 GLU 46 2.754 19.113 5.362 359 HG2 GLU 46 HG2 GLU 46 2.322 17.849 7.419 360 HG3 GLU 46 HG3 GLU 46 4.025 17.366 7.515 361 H ASP 47 H ASP 47 1.511 17.082 3.112 362 HA ASP 47 HA ASP 47 -0.601 16.028 4.866 363 HB2 ASP 47 HB2 ASP 47 -0.989 17.952 3.337 364 HB3 ASP 47 HB3 ASP 47 -0.657 16.896 1.954 365 H GLY 48 H GLY 48 1.814 14.788 2.806 366 HA2 GLY 48 HA2 GLY 48 2.232 12.580 2.221 367 HA3 GLY 48 HA3 GLY 48 0.631 12.116 2.819 368 H GLY 49 H GLY 49 0.747 10.779 0.773 369 HA2 GLY 49 HA2 GLY 49 -0.331 10.397 -1.237 370 HA3 GLY 49 HA3 GLY 49 -0.824 12.098 -1.294 371 H ILE 50 H ILE 50 2.556 11.651 -0.761 372 HA ILE 50 HA ILE 50 3.204 11.789 -3.659 373 HB ILE 50 HB ILE 50 4.213 13.688 -1.496 374 HG12 ILE 50 HG12 ILE 50 2.415 14.083 -3.925 375 HG13 ILE 50 HG13 ILE 50 1.959 14.250 -2.224 376 HG21 ILE 50 HG21 ILE 50 5.988 13.076 -3.096 377 HG22 ILE 50 HG22 ILE 50 4.922 13.494 -4.462 378 HG23 ILE 50 HG23 ILE 50 5.493 14.746 -3.335 379 HD11 ILE 50 HD11 ILE 50 3.557 16.146 -2.001 380 HD12 ILE 50 HD12 ILE 50 3.894 16.024 -3.752 381 HD13 ILE 50 HD13 ILE 50 2.267 16.438 -3.192 382 H ASP 51 H ASP 51 5.236 10.878 -4.190 383 HA ASP 51 HA ASP 51 6.391 9.233 -1.987 384 HB2 ASP 51 HB2 ASP 51 6.388 8.865 -5.002 385 HB3 ASP 51 HB3 ASP 51 7.213 7.807 -3.850 386 H ALA 52 H ALA 52 7.164 11.632 -4.498 387 HA ALA 52 HA ALA 52 9.647 12.284 -3.139 388 HB1 ALA 52 HB1 ALA 52 10.368 10.304 -4.431 389 HB2 ALA 52 HB2 ALA 52 9.729 11.034 -5.913 390 HB3 ALA 52 HB3 ALA 52 11.113 11.787 -5.074 391 H ALA 53 H ALA 53 10.896 13.963 -4.655 392 HA ALA 53 HA ALA 53 8.993 15.514 -6.311 393 HB1 ALA 53 HB1 ALA 53 9.455 17.569 -5.051 394 HB2 ALA 53 HB2 ALA 53 8.688 16.351 -4.014 395 HB3 ALA 53 HB3 ALA 53 10.440 16.651 -3.889 396 H ILE 54 H ILE 54 10.060 17.350 -7.448 397 HA ILE 54 HA ILE 54 12.987 16.898 -7.835 398 HB ILE 54 HB ILE 54 10.878 17.479 -9.946 399 HG12 ILE 54 HG12 ILE 54 12.679 15.069 -9.449 400 HG13 ILE 54 HG13 ILE 54 10.930 15.139 -9.198 401 HG21 ILE 54 HG21 ILE 54 13.901 17.156 -10.227 402 HG22 ILE 54 HG22 ILE 54 12.748 17.432 -11.554 403 HG23 ILE 54 HG23 ILE 54 13.021 18.696 -10.358 404 HD11 ILE 54 HD11 ILE 54 10.622 15.594 -11.641 405 HD12 ILE 54 HD12 ILE 54 12.378 15.373 -11.871 406 HD13 ILE 54 HD13 ILE 54 11.378 14.022 -11.302 407 H LEU 55 H LEU 55 14.222 18.693 -7.753 408 HA LEU 55 HA LEU 55 12.822 21.300 -7.365 409 HB2 LEU 55 HB2 LEU 55 15.454 20.226 -6.280 410 HB3 LEU 55 HB3 LEU 55 14.961 21.908 -6.158 411 HG LEU 55 HG LEU 55 14.597 20.794 -4.069 412 HD11 LEU 55 HD11 LEU 55 12.277 21.373 -3.670 413 HD12 LEU 55 HD12 LEU 55 13.004 22.567 -4.769 414 HD13 LEU 55 HD13 LEU 55 11.919 21.298 -5.408 415 HD21 LEU 55 HD21 LEU 55 14.213 18.474 -4.974 416 HD22 LEU 55 HD22 LEU 55 13.080 18.981 -3.707 417 HD23 LEU 55 HD23 LEU 55 12.555 18.986 -5.399 418 H ASP 56 H ASP 56 13.443 23.048 -8.564 419 HA ASP 56 HA ASP 56 15.595 22.607 -10.575 420 HB2 ASP 56 HB2 ASP 56 13.254 23.106 -11.360 421 HB3 ASP 56 HB3 ASP 56 13.392 24.695 -10.589 422 H VAL 57 H VAL 57 17.019 24.491 -11.035 423 HA VAL 57 HA VAL 57 17.823 25.679 -8.466 424 HB VAL 57 HB VAL 57 19.897 26.269 -9.631 425 HG11 VAL 57 HG11 VAL 57 20.701 23.991 -10.015 426 HG12 VAL 57 HG12 VAL 57 19.640 24.056 -8.586 427 HG13 VAL 57 HG13 VAL 57 19.029 23.395 -10.121 428 HG21 VAL 57 HG21 VAL 57 18.964 26.686 -11.882 429 HG22 VAL 57 HG22 VAL 57 20.300 25.524 -11.931 430 HG23 VAL 57 HG23 VAL 57 18.620 24.946 -12.058 431 H ASN 58 H ASN 58 15.921 26.675 -11.110 432 HA ASN 58 HA ASN 58 16.820 29.472 -10.984 433 HB2 ASN 58 HB2 ASN 58 14.740 28.115 -12.733 434 HB3 ASN 58 HB3 ASN 58 15.242 29.805 -12.863 435 HD21 ASN 58 HD21 ASN 58 17.685 26.787 -14.265 436 HD22 ASN 58 HD22 ASN 58 16.326 26.436 -13.209 437 H LEU 59 H LEU 59 15.248 28.015 -8.731 438 HA LEU 59 HA LEU 59 12.666 29.230 -8.623 439 HB2 LEU 59 HB2 LEU 59 14.514 28.256 -6.410 440 HB3 LEU 59 HB3 LEU 59 12.814 28.692 -6.180 441 HG LEU 59 HG LEU 59 13.818 26.498 -8.042 442 HD11 LEU 59 HD11 LEU 59 12.905 24.956 -6.344 443 HD12 LEU 59 HD12 LEU 59 14.184 25.973 -5.650 444 HD13 LEU 59 HD13 LEU 59 12.477 26.334 -5.306 445 HD21 LEU 59 HD21 LEU 59 11.661 27.431 -8.781 446 HD22 LEU 59 HD22 LEU 59 11.430 25.822 -8.083 447 HD23 LEU 59 HD23 LEU 59 11.010 27.267 -7.132 448 H ARG 60 H ARG 60 11.902 31.020 -7.474 449 HA ARG 60 HA ARG 60 13.749 33.277 -7.508 450 HB2 ARG 60 HB2 ARG 60 11.742 34.617 -7.108 451 HB3 ARG 60 HB3 ARG 60 11.540 33.513 -8.479 452 HG2 ARG 60 HG2 ARG 60 10.283 31.933 -7.030 453 HG3 ARG 60 HG3 ARG 60 10.472 33.044 -5.659 454 HD2 ARG 60 HD2 ARG 60 9.235 34.789 -6.881 455 HD3 ARG 60 HD3 ARG 60 9.104 33.729 -8.291 456 HE ARG 60 HE ARG 60 7.522 32.385 -7.181 457 HH11 ARG 60 HH11 ARG 60 8.641 35.007 -5.094 458 HH12 ARG 60 HH12 ARG 60 7.322 34.814 -3.957 459 HH21 ARG 60 HH21 ARG 60 5.849 32.151 -5.703 460 HH22 ARG 60 HH22 ARG 60 5.735 33.192 -4.302 461 H GLY 61 H GLY 61 14.126 34.724 -5.827 462 HA2 GLY 61 HA2 GLY 61 13.354 34.995 -3.312 463 HA3 GLY 61 HA3 GLY 61 14.234 33.467 -3.143 464 H GLY 62 H GLY 62 14.889 36.006 -1.874 465 HA2 GLY 62 HA2 GLY 62 17.221 37.101 -3.249 466 HA3 GLY 62 HA3 GLY 62 16.645 37.490 -1.617 467 H GLU 63 H GLU 63 16.591 34.342 -1.286 468 HA GLU 63 HA GLU 63 19.510 33.960 -0.822 469 HB2 GLU 63 HB2 GLU 63 18.270 34.523 1.263 470 HB3 GLU 63 HB3 GLU 63 17.234 33.107 1.003 471 HG2 GLU 63 HG2 GLU 63 19.190 31.622 1.176 472 HG3 GLU 63 HG3 GLU 63 20.266 33.027 1.294 473 H LYS 64 H LYS 64 20.201 31.722 -0.912 474 HA LYS 64 HA LYS 64 18.960 30.259 -3.038 475 HB2 LYS 64 HB2 LYS 64 21.390 30.282 -2.500 476 HB3 LYS 64 HB3 LYS 64 21.054 29.352 -1.025 477 HG2 LYS 64 HG2 LYS 64 20.091 27.526 -2.426 478 HG3 LYS 64 HG3 LYS 64 20.452 28.465 -3.884 479 HD2 LYS 64 HD2 LYS 64 22.473 27.425 -1.850 480 HD3 LYS 64 HD3 LYS 64 22.170 26.732 -3.451 481 HE2 LYS 64 HE2 LYS 64 23.213 29.545 -2.913 482 HE3 LYS 64 HE3 LYS 64 24.198 28.163 -3.406 483 HZ1 LYS 64 HZ1 LYS 64 22.007 29.344 -4.978 484 HZ2 LYS 64 HZ2 LYS 64 23.613 29.523 -5.278 485 HZ3 LYS 64 HZ3 LYS 64 22.917 28.046 -5.430 486 H SER 65 H SER 65 17.814 28.292 -3.003 487 HA SER 65 HA SER 65 16.597 27.602 -0.369 488 HB2 SER 65 HB2 SER 65 14.485 27.218 -1.561 489 HB3 SER 65 HB3 SER 65 15.041 28.892 -1.739 490 HG SER 65 HG SER 65 14.376 27.982 -3.735 491 H THR 66 H THR 66 18.680 26.445 -2.640 492 HA THR 66 HA THR 66 17.681 23.857 -3.227 493 HB THR 66 HB THR 66 20.587 24.665 -2.886 494 HG1 THR 66 HG1 THR 66 20.393 25.288 -5.071 495 HG21 THR 66 HG21 THR 66 19.204 22.689 -4.749 496 HG22 THR 66 HG22 THR 66 20.955 23.012 -4.653 497 HG23 THR 66 HG23 THR 66 20.122 22.238 -3.294 498 HA PRO 67 HA PRO 67 20.157 22.538 0.795 499 HB2 PRO 67 HB2 PRO 67 19.232 24.850 2.489 500 HB3 PRO 67 HB3 PRO 67 20.746 23.892 2.616 501 HG2 PRO 67 HG2 PRO 67 20.811 26.346 1.495 502 HG3 PRO 67 HG3 PRO 67 21.666 24.984 0.681 503 HD2 PRO 67 HD2 PRO 67 18.905 26.086 0.084 504 HD3 PRO 67 HD3 PRO 67 20.251 25.744 -1.057 505 H VAL 68 H VAL 68 16.957 23.841 0.309 506 HA VAL 68 HA VAL 68 15.760 22.623 2.645 507 HB VAL 68 HB VAL 68 14.504 23.645 0.071 508 HG11 VAL 68 HG11 VAL 68 12.480 23.913 1.519 509 HG12 VAL 68 HG12 VAL 68 12.941 22.213 1.308 510 HG13 VAL 68 HG13 VAL 68 13.330 23.062 2.828 511 HG21 VAL 68 HG21 VAL 68 15.791 25.399 1.255 512 HG22 VAL 68 HG22 VAL 68 14.050 25.683 1.418 513 HG23 VAL 68 HG23 VAL 68 14.960 24.983 2.776 514 H ALA 69 H ALA 69 16.788 21.444 -0.480 515 HA ALA 69 HA ALA 69 14.971 19.227 -0.661 516 HB1 ALA 69 HB1 ALA 69 16.353 20.068 -2.547 517 HB2 ALA 69 HB2 ALA 69 17.823 19.530 -1.695 518 HB3 ALA 69 HB3 ALA 69 16.625 18.336 -2.242 519 H GLU 70 H GLU 70 17.843 19.889 1.269 520 HA GLU 70 HA GLU 70 18.283 17.085 1.946 521 HB2 GLU 70 HB2 GLU 70 19.430 19.681 3.031 522 HB3 GLU 70 HB3 GLU 70 19.974 18.060 3.519 523 HG2 GLU 70 HG2 GLU 70 20.603 17.510 1.236 524 HG3 GLU 70 HG3 GLU 70 19.928 19.026 0.631 525 H ALA 71 H ALA 71 16.194 19.649 3.032 526 HA ALA 71 HA ALA 71 15.677 18.430 5.632 527 HB1 ALA 71 HB1 ALA 71 14.077 20.475 4.030 528 HB2 ALA 71 HB2 ALA 71 13.869 20.078 5.750 529 HB3 ALA 71 HB3 ALA 71 15.364 20.858 5.195 530 H LEU 72 H LEU 72 14.555 18.055 2.292 531 HA LEU 72 HA LEU 72 12.275 16.396 2.996 532 HB2 LEU 72 HB2 LEU 72 13.923 16.573 0.431 533 HB3 LEU 72 HB3 LEU 72 12.399 15.704 0.612 534 HG LEU 72 HG LEU 72 12.751 18.710 0.986 535 HD11 LEU 72 HD11 LEU 72 11.498 17.075 -1.259 536 HD12 LEU 72 HD12 LEU 72 11.496 18.851 -1.145 537 HD13 LEU 72 HD13 LEU 72 13.027 17.980 -1.359 538 HD21 LEU 72 HD21 LEU 72 10.888 17.833 2.341 539 HD22 LEU 72 HD22 LEU 72 10.256 18.705 0.929 540 HD23 LEU 72 HD23 LEU 72 10.274 16.926 0.938 541 H ALA 73 H ALA 73 15.762 15.932 2.514 542 HA ALA 73 HA ALA 73 15.624 13.042 2.544 543 HB1 ALA 73 HB1 ALA 73 17.495 14.288 1.527 544 HB2 ALA 73 HB2 ALA 73 17.942 14.931 3.124 545 HB3 ALA 73 HB3 ALA 73 18.064 13.189 2.799 546 H ALA 74 H ALA 74 15.613 15.575 4.992 547 HA ALA 74 HA ALA 74 16.248 13.778 7.197 548 HB1 ALA 74 HB1 ALA 74 14.924 16.520 7.164 549 HB2 ALA 74 HB2 ALA 74 15.594 15.684 8.585 550 HB3 ALA 74 HB3 ALA 74 16.677 16.219 7.276 551 H ARG 75 H ARG 75 13.440 14.595 5.294 552 HA ARG 75 HA ARG 75 11.591 13.241 7.152 553 HB2 ARG 75 HB2 ARG 75 11.226 14.645 4.480 554 HB3 ARG 75 HB3 ARG 75 9.920 13.820 5.347 555 HG2 ARG 75 HG2 ARG 75 10.193 15.281 7.279 556 HG3 ARG 75 HG3 ARG 75 11.585 16.087 6.529 557 HD2 ARG 75 HD2 ARG 75 10.173 16.911 4.703 558 HD3 ARG 75 HD3 ARG 75 8.789 15.996 5.323 559 HE ARG 75 HE ARG 75 8.357 17.673 6.823 560 HH11 ARG 75 HH11 ARG 75 11.726 18.012 5.776 561 HH12 ARG 75 HH12 ARG 75 11.934 19.538 6.603 562 HH21 ARG 75 HH21 ARG 75 8.679 19.638 7.894 563 HH22 ARG 75 HH22 ARG 75 10.221 20.448 7.807 564 H ASP 76 H ASP 76 13.939 12.132 5.283 565 HA ASP 76 HA ASP 76 14.404 10.269 4.152 566 HB2 ASP 76 HB2 ASP 76 13.518 9.317 6.273 567 HB3 ASP 76 HB3 ASP 76 11.947 9.097 5.488 568 H ILE 77 H ILE 77 12.800 12.249 2.753 569 HA ILE 77 HA ILE 77 11.469 10.471 0.770 570 HB ILE 77 HB ILE 77 11.087 13.425 1.352 571 HG12 ILE 77 HG12 ILE 77 9.257 11.002 1.669 572 HG13 ILE 77 HG13 ILE 77 10.047 11.884 2.985 573 HG21 ILE 77 HG21 ILE 77 9.738 11.651 -0.726 574 HG22 ILE 77 HG22 ILE 77 9.352 13.354 -0.402 575 HG23 ILE 77 HG23 ILE 77 10.927 12.925 -1.080 576 HD11 ILE 77 HD11 ILE 77 7.915 12.982 1.114 577 HD12 ILE 77 HD12 ILE 77 7.759 12.624 2.842 578 HD13 ILE 77 HD13 ILE 77 8.813 13.954 2.311 579 HA PRO 78 HA PRO 78 15.079 11.514 -1.622 580 HB2 PRO 78 HB2 PRO 78 14.590 10.042 -3.843 581 HB3 PRO 78 HB3 PRO 78 14.929 9.275 -2.257 582 HG2 PRO 78 HG2 PRO 78 12.226 9.842 -3.512 583 HG3 PRO 78 HG3 PRO 78 12.811 8.287 -2.831 584 HD2 PRO 78 HD2 PRO 78 11.284 10.036 -1.375 585 HD3 PRO 78 HD3 PRO 78 12.587 9.066 -0.620 586 H PHE 79 H PHE 79 15.661 12.577 -3.644 587 HA PHE 79 HA PHE 79 13.515 13.881 -5.146 588 HB2 PHE 79 HB2 PHE 79 14.343 16.141 -4.662 589 HB3 PHE 79 HB3 PHE 79 13.782 15.346 -3.194 590 HD1 PHE 79 HD1 PHE 79 16.753 16.551 -5.044 591 HD2 PHE 79 HD2 PHE 79 15.332 14.710 -1.427 592 HE1 PHE 79 HE1 PHE 79 18.949 16.973 -3.963 593 HE2 PHE 79 HE2 PHE 79 17.518 15.164 -0.345 594 HZ PHE 79 HZ PHE 79 19.307 16.315 -1.595 595 H VAL 80 H VAL 80 14.489 15.376 -6.834 596 HA VAL 80 HA VAL 80 17.209 14.576 -7.704 597 HB VAL 80 HB VAL 80 14.727 14.541 -9.471 598 HG11 VAL 80 HG11 VAL 80 17.626 13.833 -10.061 599 HG12 VAL 80 HG12 VAL 80 16.256 13.563 -11.160 600 HG13 VAL 80 HG13 VAL 80 16.718 15.217 -10.719 601 HG21 VAL 80 HG21 VAL 80 15.203 12.095 -9.647 602 HG22 VAL 80 HG22 VAL 80 16.444 12.268 -8.393 603 HG23 VAL 80 HG23 VAL 80 14.735 12.578 -8.007 604 H PHE 81 H PHE 81 18.236 16.189 -9.018 605 HA PHE 81 HA PHE 81 17.053 18.885 -8.700 606 HB2 PHE 81 HB2 PHE 81 19.800 17.916 -9.541 607 HB3 PHE 81 HB3 PHE 81 19.324 19.608 -9.479 608 HD1 PHE 81 HD1 PHE 81 17.782 19.673 -6.880 609 HD2 PHE 81 HD2 PHE 81 21.479 17.765 -7.959 610 HE1 PHE 81 HE1 PHE 81 18.568 19.869 -4.537 611 HE2 PHE 81 HE2 PHE 81 22.291 18.013 -5.633 612 HZ PHE 81 HZ PHE 81 20.825 19.069 -3.914 613 H ALA 82 H ALA 82 17.200 20.432 -10.474 614 HA ALA 82 HA ALA 82 17.425 19.289 -13.193 615 HB1 ALA 82 HB1 ALA 82 15.396 20.513 -13.892 616 HB2 ALA 82 HB2 ALA 82 15.024 19.272 -12.669 617 HB3 ALA 82 HB3 ALA 82 15.094 20.984 -12.207 618 H THR 83 H THR 83 18.700 20.554 -14.429 619 HA THR 83 HA THR 83 18.878 23.437 -14.054 620 HB THR 83 HB THR 83 20.290 22.588 -12.202 621 HG1 THR 83 HG1 THR 83 22.135 23.751 -12.810 622 HG21 THR 83 HG21 THR 83 20.970 20.430 -13.242 623 HG22 THR 83 HG22 THR 83 21.983 21.320 -14.398 624 HG23 THR 83 HG23 THR 83 22.364 21.367 -12.662 625 H GLY 84 H GLY 84 20.635 24.340 -15.546 626 HA2 GLY 84 HA2 GLY 84 21.423 22.577 -17.769 627 HA3 GLY 84 HA3 GLY 84 20.350 23.938 -18.170 628 H GLY 85 H GLY 85 23.388 23.151 -18.530 629 HA2 GLY 85 HA2 GLY 85 24.635 25.469 -19.049 630 HA3 GLY 85 HA3 GLY 85 24.737 25.458 -17.283 631 H SER 86 H SER 86 27.107 25.369 -17.665 632 HA SER 86 HA SER 86 28.276 22.966 -18.773 633 HB2 SER 86 HB2 SER 86 29.492 25.098 -18.707 634 HB3 SER 86 HB3 SER 86 29.428 25.090 -16.929 635 HG SER 86 HG SER 86 30.752 23.253 -18.634 636 H ASP 87 H ASP 87 29.286 21.230 -17.645 637 HA ASP 87 HA ASP 87 27.791 20.402 -15.312 638 HB2 ASP 87 HB2 ASP 87 30.139 19.143 -16.776 639 HB3 ASP 87 HB3 ASP 87 29.178 18.343 -15.526 640 H ASP 88 H ASP 88 30.504 22.387 -15.643 641 HA ASP 88 HA ASP 88 31.495 21.603 -12.954 642 HB2 ASP 88 HB2 ASP 88 33.116 21.467 -14.844 643 HB3 ASP 88 HB3 ASP 88 32.926 23.210 -15.093 644 H SER 89 H SER 89 29.322 23.642 -14.238 645 HA SER 89 HA SER 89 30.115 26.011 -12.657 646 HB2 SER 89 HB2 SER 89 29.451 26.222 -15.067 647 HB3 SER 89 HB3 SER 89 27.821 25.679 -14.622 648 HG SER 89 HG SER 89 28.016 27.965 -14.639 649 H VAL 90 H VAL 90 28.898 23.248 -11.770 650 HA VAL 90 HA VAL 90 26.717 24.404 -10.107 651 HB VAL 90 HB VAL 90 26.810 21.606 -11.292 652 HG11 VAL 90 HG11 VAL 90 25.569 21.786 -9.163 653 HG12 VAL 90 HG12 VAL 90 24.624 23.147 -9.820 654 HG13 VAL 90 HG13 VAL 90 24.461 21.520 -10.525 655 HG21 VAL 90 HG21 VAL 90 26.426 23.238 -13.082 656 HG22 VAL 90 HG22 VAL 90 24.914 22.395 -12.703 657 HG23 VAL 90 HG23 VAL 90 25.176 24.051 -12.106 658 H ASP 91 H ASP 91 26.465 23.401 -7.996 659 HA ASP 91 HA ASP 91 29.050 23.029 -6.777 660 HB2 ASP 91 HB2 ASP 91 27.196 24.312 -5.772 661 HB3 ASP 91 HB3 ASP 91 26.260 22.821 -5.600 662 H SER 92 H SER 92 29.572 21.285 -5.227 663 HA SER 92 HA SER 92 29.605 18.800 -6.589 664 HB2 SER 92 HB2 SER 92 30.747 17.990 -4.564 665 HB3 SER 92 HB3 SER 92 31.381 19.569 -5.083 666 HG SER 92 HG SER 92 30.965 19.495 -2.834 667 H ARG 93 H ARG 93 27.178 20.110 -4.434 668 HA ARG 93 HA ARG 93 26.195 17.581 -3.475 669 HB2 ARG 93 HB2 ARG 93 24.198 18.857 -2.829 670 HB3 ARG 93 HB3 ARG 93 25.686 19.725 -2.400 671 HG2 ARG 93 HG2 ARG 93 25.438 21.013 -4.578 672 HG3 ARG 93 HG3 ARG 93 23.829 20.286 -4.745 673 HD2 ARG 93 HD2 ARG 93 24.735 21.870 -2.308 674 HD3 ARG 93 HD3 ARG 93 23.925 22.600 -3.695 675 HE ARG 93 HE ARG 93 21.954 21.258 -3.259 676 HH11 ARG 93 HH11 ARG 93 24.355 21.233 -0.639 677 HH12 ARG 93 HH12 ARG 93 23.153 20.838 0.575 678 HH21 ARG 93 HH21 ARG 93 20.437 20.820 -1.608 679 HH22 ARG 93 HH22 ARG 93 20.980 20.669 0.049 680 H PHE 94 H PHE 94 25.809 19.367 -6.502 681 HA PHE 94 HA PHE 94 23.652 17.610 -7.456 682 HB2 PHE 94 HB2 PHE 94 25.395 19.647 -8.871 683 HB3 PHE 94 HB3 PHE 94 23.980 18.846 -9.562 684 HD1 PHE 94 HD1 PHE 94 21.840 19.784 -9.337 685 HD2 PHE 94 HD2 PHE 94 25.050 21.169 -6.844 686 HE1 PHE 94 HE1 PHE 94 20.389 21.602 -8.494 687 HE2 PHE 94 HE2 PHE 94 23.600 23.006 -5.998 688 HZ PHE 94 HZ PHE 94 21.262 23.213 -6.816 689 H ARG 95 H ARG 95 27.145 17.736 -7.381 690 HA ARG 95 HA ARG 95 27.455 15.809 -9.565 691 HB2 ARG 95 HB2 ARG 95 29.512 16.751 -7.537 692 HB3 ARG 95 HB3 ARG 95 29.821 15.961 -9.092 693 HG2 ARG 95 HG2 ARG 95 28.807 17.939 -10.261 694 HG3 ARG 95 HG3 ARG 95 28.566 18.711 -8.677 695 HD2 ARG 95 HD2 ARG 95 31.075 18.374 -8.285 696 HD3 ARG 95 HD3 ARG 95 31.192 17.948 -10.002 697 HE ARG 95 HE ARG 95 29.900 20.528 -9.317 698 HH11 ARG 95 HH11 ARG 95 32.783 18.863 -10.556 699 HH12 ARG 95 HH12 ARG 95 33.466 20.351 -11.187 700 HH21 ARG 95 HH21 ARG 95 30.869 22.398 -10.098 701 HH22 ARG 95 HH22 ARG 95 32.413 22.310 -10.937 702 H ASP 96 H ASP 96 26.515 15.620 -6.329 703 HA ASP 96 HA ASP 96 27.459 12.795 -6.135 704 HB2 ASP 96 HB2 ASP 96 28.479 14.357 -4.495 705 HB3 ASP 96 HB3 ASP 96 26.864 14.771 -3.903 706 H ARG 97 H ARG 97 24.696 14.782 -6.525 707 HA ARG 97 HA ARG 97 22.966 12.500 -5.703 708 HB2 ARG 97 HB2 ARG 97 22.364 15.473 -5.480 709 HB3 ARG 97 HB3 ARG 97 21.216 14.165 -5.146 710 HG2 ARG 97 HG2 ARG 97 22.682 13.284 -3.373 711 HG3 ARG 97 HG3 ARG 97 23.846 14.594 -3.673 712 HD2 ARG 97 HD2 ARG 97 22.133 16.264 -3.116 713 HD3 ARG 97 HD3 ARG 97 20.946 14.975 -2.840 714 HE ARG 97 HE ARG 97 22.570 14.156 -1.039 715 HH11 ARG 97 HH11 ARG 97 22.297 17.580 -1.913 716 HH12 ARG 97 HH12 ARG 97 22.793 18.119 -0.312 717 HH21 ARG 97 HH21 ARG 97 23.210 14.936 1.016 718 HH22 ARG 97 HH22 ARG 97 23.272 16.664 1.302 719 HA PRO 98 HA PRO 98 21.385 12.264 -9.756 720 HB2 PRO 98 HB2 PRO 98 18.638 12.529 -8.552 721 HB3 PRO 98 HB3 PRO 98 19.239 11.310 -9.729 722 HG2 PRO 98 HG2 PRO 98 18.979 10.652 -7.121 723 HG3 PRO 98 HG3 PRO 98 20.471 10.177 -8.002 724 HD2 PRO 98 HD2 PRO 98 20.047 12.546 -6.161 725 HD3 PRO 98 HD3 PRO 98 21.409 11.376 -6.208 726 H VAL 99 H VAL 99 20.753 13.549 -11.481 727 HA VAL 99 HA VAL 99 19.352 16.083 -11.034 728 HB VAL 99 HB VAL 99 21.649 16.662 -10.487 729 HG11 VAL 99 HG11 VAL 99 22.384 15.632 -13.254 730 HG12 VAL 99 HG12 VAL 99 23.459 16.488 -12.126 731 HG13 VAL 99 HG13 VAL 99 22.842 14.883 -11.701 732 HG21 VAL 99 HG21 VAL 99 20.241 18.292 -11.767 733 HG22 VAL 99 HG22 VAL 99 21.987 18.490 -12.034 734 HG23 VAL 99 HG23 VAL 99 20.991 17.702 -13.271 735 H LEU 100 H LEU 100 18.649 17.056 -13.006 736 HA LEU 100 HA LEU 100 18.843 15.334 -15.417 737 HB2 LEU 100 HB2 LEU 100 16.728 14.921 -14.158 738 HB3 LEU 100 HB3 LEU 100 16.344 16.639 -14.267 739 HG LEU 100 HG LEU 100 16.245 16.464 -16.745 740 HD11 LEU 100 HD11 LEU 100 16.724 13.495 -16.229 741 HD12 LEU 100 HD12 LEU 100 16.242 14.204 -17.789 742 HD13 LEU 100 HD13 LEU 100 17.824 14.592 -17.098 743 HD21 LEU 100 HD21 LEU 100 14.574 14.377 -15.272 744 HD22 LEU 100 HD22 LEU 100 14.220 16.117 -15.365 745 HD23 LEU 100 HD23 LEU 100 14.185 15.125 -16.838 746 H GLN 101 H GLN 101 18.447 16.478 -17.430 747 HA GLN 101 HA GLN 101 19.694 19.086 -17.443 748 HB2 GLN 101 HB2 GLN 101 18.401 17.439 -19.652 749 HB3 GLN 101 HB3 GLN 101 19.377 18.899 -19.891 750 HG2 GLN 101 HG2 GLN 101 21.309 17.797 -18.800 751 HG3 GLN 101 HG3 GLN 101 20.358 16.319 -18.601 752 HE21 GLN 101 HE21 GLN 101 22.319 15.675 -21.621 753 HE22 GLN 101 HE22 GLN 101 22.522 15.749 -19.882 754 H LYS 102 H LYS 102 18.718 20.897 -18.790 755 HA LYS 102 HA LYS 102 16.227 21.620 -17.531 756 HB2 LYS 102 HB2 LYS 102 18.172 23.144 -17.894 757 HB3 LYS 102 HB3 LYS 102 17.846 23.126 -19.626 758 HG2 LYS 102 HG2 LYS 102 16.921 25.118 -18.600 759 HG3 LYS 102 HG3 LYS 102 15.590 24.101 -19.189 760 HD2 LYS 102 HD2 LYS 102 15.063 23.356 -16.963 761 HD3 LYS 102 HD3 LYS 102 16.579 24.018 -16.311 762 HE2 LYS 102 HE2 LYS 102 15.848 26.297 -16.830 763 HE3 LYS 102 HE3 LYS 102 14.344 25.687 -17.535 764 HZ1 LYS 102 HZ1 LYS 102 14.142 26.447 -15.225 765 HZ2 LYS 102 HZ2 LYS 102 13.678 24.893 -15.429 766 HZ3 LYS 102 HZ3 LYS 102 15.123 25.217 -14.733 767 HA PRO 103 HA PRO 103 14.322 21.143 -21.868 768 HB2 PRO 103 HB2 PRO 103 15.662 20.058 -23.945 769 HB3 PRO 103 HB3 PRO 103 15.905 21.780 -23.495 770 HG2 PRO 103 HG2 PRO 103 17.599 19.390 -22.701 771 HG3 PRO 103 HG3 PRO 103 18.153 20.938 -23.422 772 HD2 PRO 103 HD2 PRO 103 18.194 20.474 -20.729 773 HD3 PRO 103 HD3 PRO 103 17.832 22.095 -21.404 774 H PHE 104 H PHE 104 13.299 19.200 -22.920 775 HA PHE 104 HA PHE 104 14.188 16.630 -21.709 776 HB2 PHE 104 HB2 PHE 104 11.293 17.439 -21.920 777 HB3 PHE 104 HB3 PHE 104 11.969 16.071 -21.039 778 HD1 PHE 104 HD1 PHE 104 10.267 18.917 -20.505 779 HD2 PHE 104 HD2 PHE 104 13.980 17.114 -19.293 780 HE1 PHE 104 HE1 PHE 104 10.353 20.414 -18.530 781 HE2 PHE 104 HE2 PHE 104 14.032 18.573 -17.288 782 HZ PHE 104 HZ PHE 104 12.243 20.259 -16.934 783 H THR 105 H THR 105 13.413 14.744 -22.805 784 HA THR 105 HA THR 105 12.093 15.095 -25.426 785 HB THR 105 HB THR 105 13.684 13.524 -26.477 786 HG1 THR 105 HG1 THR 105 15.637 13.120 -25.377 787 HG21 THR 105 HG21 THR 105 15.552 15.059 -26.791 788 HG22 THR 105 HG22 THR 105 14.045 15.990 -26.698 789 HG23 THR 105 HG23 THR 105 15.147 15.929 -25.296 790 H MET 106 H MET 106 11.183 12.966 -26.174 791 HA MET 106 HA MET 106 9.863 11.712 -23.967 792 HB2 MET 106 HB2 MET 106 10.097 10.886 -26.890 793 HB3 MET 106 HB3 MET 106 8.977 10.172 -25.718 794 HG2 MET 106 HG2 MET 106 7.977 12.411 -25.324 795 HG3 MET 106 HG3 MET 106 9.064 13.101 -26.533 796 HE1 MET 106 HE1 MET 106 7.027 14.217 -27.711 797 HE2 MET 106 HE2 MET 106 5.574 13.338 -28.242 798 HE3 MET 106 HE3 MET 106 5.926 13.505 -26.508 799 H ASP 107 H ASP 107 12.827 10.934 -25.738 800 HA ASP 107 HA ASP 107 13.010 8.258 -24.548 801 HB2 ASP 107 HB2 ASP 107 13.842 8.752 -26.823 802 HB3 ASP 107 HB3 ASP 107 14.981 9.924 -26.154 803 H GLY 108 H GLY 108 14.024 11.547 -23.808 804 HA2 GLY 108 HA2 GLY 108 16.169 10.808 -22.011 805 HA3 GLY 108 HA3 GLY 108 15.413 12.408 -22.203 806 H VAL 109 H VAL 109 12.695 11.728 -21.628 807 HA VAL 109 HA VAL 109 12.858 11.604 -18.737 808 HB VAL 109 HB VAL 109 10.434 11.829 -18.781 809 HG11 VAL 109 HG11 VAL 109 11.774 13.619 -20.846 810 HG12 VAL 109 HG12 VAL 109 10.299 13.990 -19.921 811 HG13 VAL 109 HG13 VAL 109 11.856 13.827 -19.082 812 HG21 VAL 109 HG21 VAL 109 10.679 11.514 -21.807 813 HG22 VAL 109 HG22 VAL 109 9.900 10.372 -20.692 814 HG23 VAL 109 HG23 VAL 109 9.209 11.987 -20.928 815 H ALA 110 H ALA 110 12.416 9.218 -21.277 816 HA ALA 110 HA ALA 110 11.194 7.249 -19.515 817 HB1 ALA 110 HB1 ALA 110 12.576 6.985 -22.215 818 HB2 ALA 110 HB2 ALA 110 11.618 5.722 -21.411 819 HB3 ALA 110 HB3 ALA 110 10.835 7.227 -21.951 820 H LYS 111 H LYS 111 14.487 8.192 -20.471 821 HA LYS 111 HA LYS 111 15.695 5.876 -19.159 822 HB2 LYS 111 HB2 LYS 111 16.691 6.919 -21.169 823 HB3 LYS 111 HB3 LYS 111 16.865 8.449 -20.295 824 HG2 LYS 111 HG2 LYS 111 19.000 7.255 -20.382 825 HG3 LYS 111 HG3 LYS 111 18.440 7.376 -18.711 826 HD2 LYS 111 HD2 LYS 111 17.610 5.053 -18.800 827 HD3 LYS 111 HD3 LYS 111 18.104 4.933 -20.507 828 HE2 LYS 111 HE2 LYS 111 20.454 5.369 -19.839 829 HE3 LYS 111 HE3 LYS 111 19.949 5.466 -18.145 830 HZ1 LYS 111 HZ1 LYS 111 19.675 3.094 -19.873 831 HZ2 LYS 111 HZ2 LYS 111 20.800 3.301 -18.696 832 HZ3 LYS 111 HZ3 LYS 111 19.214 3.186 -18.294 833 H ALA 112 H ALA 112 14.913 9.252 -18.406 834 HA ALA 112 HA ALA 112 16.436 9.311 -15.948 835 HB1 ALA 112 HB1 ALA 112 14.097 11.014 -16.903 836 HB2 ALA 112 HB2 ALA 112 15.195 11.401 -15.554 837 HB3 ALA 112 HB3 ALA 112 15.820 11.344 -17.213 838 H LEU 113 H LEU 113 13.206 8.178 -16.891 839 HA LEU 113 HA LEU 113 12.186 8.020 -14.194 840 HB2 LEU 113 HB2 LEU 113 10.791 8.182 -16.201 841 HB3 LEU 113 HB3 LEU 113 11.377 6.630 -16.785 842 HG LEU 113 HG LEU 113 9.074 6.690 -15.729 843 HD11 LEU 113 HD11 LEU 113 10.375 4.593 -16.048 844 HD12 LEU 113 HD12 LEU 113 10.965 4.736 -14.373 845 HD13 LEU 113 HD13 LEU 113 9.234 4.546 -14.693 846 HD21 LEU 113 HD21 LEU 113 10.647 6.896 -13.133 847 HD22 LEU 113 HD22 LEU 113 9.611 8.165 -13.829 848 HD23 LEU 113 HD23 LEU 113 8.900 6.623 -13.300 849 H ALA 114 H ALA 114 13.879 5.773 -16.437 850 HA ALA 114 HA ALA 114 13.650 3.482 -14.754 851 HB1 ALA 114 HB1 ALA 114 15.760 4.208 -16.831 852 HB2 ALA 114 HB2 ALA 114 15.460 2.582 -16.179 853 HB3 ALA 114 HB3 ALA 114 14.212 3.397 -17.156 854 H ALA 115 H ALA 115 15.855 6.254 -14.708 855 HA ALA 115 HA ALA 115 17.618 4.970 -12.748 856 HB1 ALA 115 HB1 ALA 115 17.560 7.791 -13.881 857 HB2 ALA 115 HB2 ALA 115 18.852 7.097 -12.882 858 HB3 ALA 115 HB3 ALA 115 18.533 6.440 -14.506 859 H LEU 116 H LEU 116 14.726 6.925 -12.719 860 HA LEU 116 HA LEU 116 15.281 8.013 -10.042 861 HB2 LEU 116 HB2 LEU 116 14.414 9.446 -11.792 862 HB3 LEU 116 HB3 LEU 116 13.017 8.401 -12.036 863 HG LEU 116 HG LEU 116 13.532 9.710 -9.344 864 HD11 LEU 116 HD11 LEU 116 13.602 11.464 -11.101 865 HD12 LEU 116 HD12 LEU 116 12.037 10.890 -11.722 866 HD13 LEU 116 HD13 LEU 116 12.146 11.593 -10.093 867 HD21 LEU 116 HD21 LEU 116 11.036 9.635 -9.250 868 HD22 LEU 116 HD22 LEU 116 11.004 8.841 -10.840 869 HD23 LEU 116 HD23 LEU 116 11.704 8.010 -9.432 870 H LEU 117 H LEU 117 13.157 5.584 -11.587 871 HA LEU 117 HA LEU 117 11.399 5.514 -9.305 872 HB2 LEU 117 HB2 LEU 117 10.841 5.153 -11.773 873 HB3 LEU 117 HB3 LEU 117 11.538 3.532 -11.599 874 HG LEU 117 HG LEU 117 9.851 3.052 -9.799 875 HD11 LEU 117 HD11 LEU 117 8.770 5.790 -10.615 876 HD12 LEU 117 HD12 LEU 117 7.913 4.608 -9.601 877 HD13 LEU 117 HD13 LEU 117 9.415 5.357 -9.019 878 HD21 LEU 117 HD21 LEU 117 9.426 2.455 -12.162 879 HD22 LEU 117 HD22 LEU 117 7.925 2.893 -11.318 880 HD23 LEU 117 HD23 LEU 117 8.692 4.054 -12.429 881 H VAL 118 H VAL 118 14.429 4.064 -9.852 882 HA VAL 118 HA VAL 118 13.964 2.179 -7.620 883 HB VAL 118 HB VAL 118 15.267 0.427 -8.792 884 HG11 VAL 118 HG11 VAL 118 12.753 1.262 -10.297 885 HG12 VAL 118 HG12 VAL 118 13.453 -0.364 -10.231 886 HG13 VAL 118 HG13 VAL 118 12.781 0.368 -8.757 887 HG21 VAL 118 HG21 VAL 118 16.418 1.854 -10.461 888 HG22 VAL 118 HG22 VAL 118 15.536 0.522 -11.233 889 HG23 VAL 118 HG23 VAL 118 14.856 2.157 -11.268 Start of MODEL 8 1 H1 MET 1 H1 NME 1 7.414 2.710 3.668 2 H2 MET 1 H2 NME 1 7.543 2.838 2.032 3 H3 MET 1 H3 NME 1 6.061 2.841 2.746 4 HA MET 1 HA NME 1 6.528 4.883 3.872 5 HB2 MET 1 HB2 NME 1 8.978 4.555 4.002 6 HB3 MET 1 HB3 NME 1 9.106 4.865 2.262 7 HG2 MET 1 HG2 NME 1 9.609 6.887 3.569 8 HG3 MET 1 HG3 NME 1 8.168 7.117 2.579 9 HE1 MET 1 HE1 NME 1 7.618 9.284 3.926 10 HE2 MET 1 HE2 NME 1 7.463 9.360 5.693 11 HE3 MET 1 HE3 NME 1 9.050 9.036 4.950 12 H SER 2 H SER 2 7.688 4.403 0.468 13 HA SER 2 HA SER 2 5.374 6.031 -0.440 14 HB2 SER 2 HB2 SER 2 6.837 7.265 -1.968 15 HB3 SER 2 HB3 SER 2 7.323 7.529 -0.282 16 HG SER 2 HG SER 2 9.096 7.074 -1.650 17 H ALA 3 H ALA 3 5.005 5.810 -2.786 18 HA ALA 3 HA ALA 3 5.631 3.027 -3.670 19 HB1 ALA 3 HB1 ALA 3 3.272 3.424 -3.095 20 HB2 ALA 3 HB2 ALA 3 3.236 4.825 -4.196 21 HB3 ALA 3 HB3 ALA 3 3.455 3.189 -4.857 22 H LEU 4 H LEU 4 6.391 6.218 -4.310 23 HA LEU 4 HA LEU 4 7.014 7.425 -6.119 24 HB2 LEU 4 HB2 LEU 4 8.198 4.759 -6.956 25 HB3 LEU 4 HB3 LEU 4 8.691 6.359 -7.534 26 HG LEU 4 HG LEU 4 8.835 5.425 -4.629 27 HD11 LEU 4 HD11 LEU 4 11.062 6.073 -6.584 28 HD12 LEU 4 HD12 LEU 4 11.231 5.457 -4.927 29 HD13 LEU 4 HD13 LEU 4 10.536 4.409 -6.187 30 HD21 LEU 4 HD21 LEU 4 8.435 7.849 -4.810 31 HD22 LEU 4 HD22 LEU 4 10.110 7.541 -4.327 32 HD23 LEU 4 HD23 LEU 4 9.750 7.974 -6.017 33 H THR 5 H THR 5 4.341 6.656 -6.302 34 HA THR 5 HA THR 5 3.994 6.381 -9.249 35 HB THR 5 HB THR 5 1.471 6.413 -8.183 36 HG1 THR 5 HG1 THR 5 2.280 6.318 -6.059 37 HG21 THR 5 HG21 THR 5 3.287 4.017 -8.598 38 HG22 THR 5 HG22 THR 5 1.508 3.973 -8.512 39 HG23 THR 5 HG23 THR 5 2.311 4.867 -9.832 40 H GLN 6 H GLN 6 4.174 8.704 -6.743 41 HA GLN 6 HA GLN 6 2.726 10.636 -8.472 42 HB2 GLN 6 HB2 GLN 6 2.498 10.211 -5.464 43 HB3 GLN 6 HB3 GLN 6 1.916 11.648 -6.300 44 HG2 GLN 6 HG2 GLN 6 0.450 10.260 -7.735 45 HG3 GLN 6 HG3 GLN 6 1.117 8.785 -7.034 46 HE21 GLN 6 HE21 GLN 6 -1.849 8.749 -5.161 47 HE22 GLN 6 HE22 GLN 6 -0.970 8.093 -6.531 48 H ILE 7 H ILE 7 3.934 12.296 -9.030 49 HA ILE 7 HA ILE 7 6.332 12.907 -7.367 50 HB ILE 7 HB ILE 7 6.154 13.215 -10.373 51 HG12 ILE 7 HG12 ILE 7 5.754 10.854 -10.009 52 HG13 ILE 7 HG13 ILE 7 7.386 11.104 -10.629 53 HG21 ILE 7 HG21 ILE 7 8.467 12.980 -8.401 54 HG22 ILE 7 HG22 ILE 7 8.627 13.154 -10.168 55 HG23 ILE 7 HG23 ILE 7 7.921 14.464 -9.211 56 HD11 ILE 7 HD11 ILE 7 6.730 10.678 -7.685 57 HD12 ILE 7 HD12 ILE 7 7.249 9.400 -8.795 58 HD13 ILE 7 HD13 ILE 7 8.348 10.751 -8.426 59 H LEU 8 H LEU 8 6.595 14.989 -6.762 60 HA LEU 8 HA LEU 8 4.667 17.008 -7.694 61 HB2 LEU 8 HB2 LEU 8 5.641 16.470 -5.249 62 HB3 LEU 8 HB3 LEU 8 6.888 17.599 -5.762 63 HG LEU 8 HG LEU 8 3.890 18.092 -5.533 64 HD11 LEU 8 HD11 LEU 8 5.203 18.052 -3.420 65 HD12 LEU 8 HD12 LEU 8 6.294 19.285 -4.086 66 HD13 LEU 8 HD13 LEU 8 4.584 19.675 -3.782 67 HD21 LEU 8 HD21 LEU 8 4.581 19.440 -7.405 68 HD22 LEU 8 HD22 LEU 8 4.461 20.496 -5.992 69 HD23 LEU 8 HD23 LEU 8 6.063 19.966 -6.545 70 H ILE 9 H ILE 9 5.271 18.885 -8.856 71 HA ILE 9 HA ILE 9 7.985 18.778 -10.089 72 HB ILE 9 HB ILE 9 5.324 19.814 -11.103 73 HG12 ILE 9 HG12 ILE 9 7.068 17.554 -12.157 74 HG13 ILE 9 HG13 ILE 9 5.706 17.299 -11.050 75 HG21 ILE 9 HG21 ILE 9 8.040 19.780 -12.481 76 HG22 ILE 9 HG22 ILE 9 6.500 20.289 -13.217 77 HG23 ILE 9 HG23 ILE 9 7.194 21.237 -11.902 78 HD11 ILE 9 HD11 ILE 9 5.490 18.541 -13.818 79 HD12 ILE 9 HD12 ILE 9 4.999 16.902 -13.345 80 HD13 ILE 9 HD13 ILE 9 4.159 18.312 -12.658 81 H VAL 10 H VAL 10 9.316 20.516 -9.870 82 HA VAL 10 HA VAL 10 8.143 23.068 -8.888 83 HB VAL 10 HB VAL 10 10.774 21.894 -7.920 84 HG11 VAL 10 HG11 VAL 10 9.077 24.254 -7.012 85 HG12 VAL 10 HG12 VAL 10 10.575 23.693 -6.233 86 HG13 VAL 10 HG13 VAL 10 10.626 24.348 -7.887 87 HG21 VAL 10 HG21 VAL 10 8.958 20.508 -7.029 88 HG22 VAL 10 HG22 VAL 10 9.592 21.559 -5.746 89 HG23 VAL 10 HG23 VAL 10 8.053 21.963 -6.547 90 H GLU 11 H GLU 11 8.545 24.594 -10.358 91 HA GLU 11 HA GLU 11 11.074 24.593 -11.885 92 HB2 GLU 11 HB2 GLU 11 9.525 23.145 -13.123 93 HB3 GLU 11 HB3 GLU 11 8.287 24.404 -13.093 94 HG2 GLU 11 HG2 GLU 11 9.469 24.243 -15.270 95 HG3 GLU 11 HG3 GLU 11 9.601 25.837 -14.521 96 H ASP 12 H ASP 12 11.374 26.677 -13.089 97 HA ASP 12 HA ASP 12 10.057 28.838 -11.540 98 HB2 ASP 12 HB2 ASP 12 12.063 30.116 -11.817 99 HB3 ASP 12 HB3 ASP 12 12.483 28.523 -11.191 100 H GLU 13 H GLU 13 9.767 27.495 -14.564 101 HA GLU 13 HA GLU 13 8.768 30.077 -15.609 102 HB2 GLU 13 HB2 GLU 13 11.027 29.716 -16.538 103 HB3 GLU 13 HB3 GLU 13 10.508 28.151 -17.191 104 HG2 GLU 13 HG2 GLU 13 8.836 29.269 -18.601 105 HG3 GLU 13 HG3 GLU 13 9.237 30.834 -17.868 106 HA PRO 14 HA PRO 14 5.216 27.482 -16.131 107 HB2 PRO 14 HB2 PRO 14 4.518 29.509 -18.250 108 HB3 PRO 14 HB3 PRO 14 3.494 28.868 -16.921 109 HG2 PRO 14 HG2 PRO 14 4.604 31.326 -16.690 110 HG3 PRO 14 HG3 PRO 14 4.663 30.184 -15.300 111 HD2 PRO 14 HD2 PRO 14 6.835 30.758 -17.336 112 HD3 PRO 14 HD3 PRO 14 6.948 30.673 -15.547 113 H LEU 15 H LEU 15 7.199 28.473 -18.921 114 HA LEU 15 HA LEU 15 5.879 26.777 -20.822 115 HB2 LEU 15 HB2 LEU 15 7.253 28.785 -21.331 116 HB3 LEU 15 HB3 LEU 15 8.699 27.933 -20.801 117 HG LEU 15 HG LEU 15 8.293 28.120 -23.299 118 HD11 LEU 15 HD11 LEU 15 8.590 25.268 -22.284 119 HD12 LEU 15 HD12 LEU 15 9.168 25.943 -23.821 120 HD13 LEU 15 HD13 LEU 15 9.881 26.494 -22.295 121 HD21 LEU 15 HD21 LEU 15 5.863 27.605 -23.256 122 HD22 LEU 15 HD22 LEU 15 6.774 26.549 -24.359 123 HD23 LEU 15 HD23 LEU 15 6.247 25.925 -22.789 124 H ILE 16 H ILE 16 8.781 26.393 -18.731 125 HA ILE 16 HA ILE 16 9.266 23.684 -19.683 126 HB ILE 16 HB ILE 16 10.368 25.219 -17.299 127 HG12 ILE 16 HG12 ILE 16 10.889 26.351 -19.405 128 HG13 ILE 16 HG13 ILE 16 12.335 25.636 -18.688 129 HG21 ILE 16 HG21 ILE 16 11.292 22.636 -18.630 130 HG22 ILE 16 HG22 ILE 16 12.235 23.553 -17.433 131 HG23 ILE 16 HG23 ILE 16 10.686 22.834 -16.970 132 HD11 ILE 16 HD11 ILE 16 12.203 23.728 -20.261 133 HD12 ILE 16 HD12 ILE 16 10.736 24.427 -20.987 134 HD13 ILE 16 HD13 ILE 16 12.287 25.277 -21.120 135 H ALA 17 H ALA 17 7.359 25.213 -17.145 136 HA ALA 17 HA ALA 17 7.151 22.875 -15.480 137 HB1 ALA 17 HB1 ALA 17 5.368 24.132 -14.369 138 HB2 ALA 17 HB2 ALA 17 6.757 25.197 -14.686 139 HB3 ALA 17 HB3 ALA 17 5.309 25.287 -15.712 140 H MET 18 H MET 18 5.168 24.213 -18.169 141 HA MET 18 HA MET 18 3.137 22.156 -17.880 142 HB2 MET 18 HB2 MET 18 3.769 24.156 -20.077 143 HB3 MET 18 HB3 MET 18 2.378 23.050 -20.103 144 HG2 MET 18 HG2 MET 18 1.566 23.994 -17.981 145 HG3 MET 18 HG3 MET 18 2.954 25.078 -17.912 146 HE1 MET 18 HE1 MET 18 0.009 26.073 -17.551 147 HE2 MET 18 HE2 MET 18 1.432 27.142 -17.538 148 HE3 MET 18 HE3 MET 18 0.022 27.549 -18.544 149 H MET 19 H MET 19 6.214 22.482 -19.604 150 HA MET 19 HA MET 19 5.731 20.184 -21.306 151 HB2 MET 19 HB2 MET 19 7.342 22.117 -21.760 152 HB3 MET 19 HB3 MET 19 8.406 21.422 -20.521 153 HG2 MET 19 HG2 MET 19 9.103 20.646 -22.718 154 HG3 MET 19 HG3 MET 19 8.442 19.281 -21.817 155 HE1 MET 19 HE1 MET 19 8.987 19.210 -24.903 156 HE2 MET 19 HE2 MET 19 8.242 17.845 -24.029 157 HE3 MET 19 HE3 MET 19 7.511 18.448 -25.532 158 H LEU 20 H LEU 20 6.803 20.741 -18.014 159 HA LEU 20 HA LEU 20 8.094 18.194 -17.639 160 HB2 LEU 20 HB2 LEU 20 7.624 20.594 -16.165 161 HB3 LEU 20 HB3 LEU 20 6.839 19.315 -15.247 162 HG LEU 20 HG LEU 20 9.126 19.626 -14.472 163 HD11 LEU 20 HD11 LEU 20 8.922 17.042 -16.063 164 HD12 LEU 20 HD12 LEU 20 9.958 17.354 -14.649 165 HD13 LEU 20 HD13 LEU 20 8.188 17.337 -14.475 166 HD21 LEU 20 HD21 LEU 20 10.021 20.582 -16.574 167 HD22 LEU 20 HD22 LEU 20 11.055 19.318 -15.886 168 HD23 LEU 20 HD23 LEU 20 10.021 18.955 -17.294 169 H GLU 21 H GLU 21 4.767 19.430 -17.335 170 HA GLU 21 HA GLU 21 3.738 16.966 -16.188 171 HB2 GLU 21 HB2 GLU 21 2.345 19.327 -17.514 172 HB3 GLU 21 HB3 GLU 21 1.534 18.002 -16.658 173 HG2 GLU 21 HG2 GLU 21 2.812 18.579 -14.597 174 HG3 GLU 21 HG3 GLU 21 3.533 19.956 -15.441 175 H ASP 22 H ASP 22 4.480 18.112 -19.428 176 HA ASP 22 HA ASP 22 2.710 16.308 -20.807 177 HB2 ASP 22 HB2 ASP 22 3.688 18.359 -21.802 178 HB3 ASP 22 HB3 ASP 22 5.291 17.611 -21.742 179 H PHE 23 H PHE 23 6.168 16.102 -19.737 180 HA PHE 23 HA PHE 23 6.468 13.442 -20.854 181 HB2 PHE 23 HB2 PHE 23 8.073 15.196 -18.993 182 HB3 PHE 23 HB3 PHE 23 8.479 13.491 -19.199 183 HD1 PHE 23 HD1 PHE 23 8.726 16.794 -20.676 184 HD2 PHE 23 HD2 PHE 23 9.000 12.581 -21.483 185 HE1 PHE 23 HE1 PHE 23 9.973 17.271 -22.767 186 HE2 PHE 23 HE2 PHE 23 10.266 13.062 -23.562 187 HZ PHE 23 HZ PHE 23 10.738 15.410 -24.212 188 H LEU 24 H LEU 24 5.117 14.752 -17.877 189 HA LEU 24 HA LEU 24 5.385 12.316 -16.364 190 HB2 LEU 24 HB2 LEU 24 4.969 14.676 -15.475 191 HB3 LEU 24 HB3 LEU 24 3.307 14.520 -16.053 192 HG LEU 24 HG LEU 24 3.066 12.467 -14.596 193 HD11 LEU 24 HD11 LEU 24 5.787 13.401 -13.570 194 HD12 LEU 24 HD12 LEU 24 4.757 12.199 -12.769 195 HD13 LEU 24 HD13 LEU 24 5.447 11.846 -14.371 196 HD21 LEU 24 HD21 LEU 24 2.893 13.729 -12.498 197 HD22 LEU 24 HD22 LEU 24 3.913 15.022 -13.178 198 HD23 LEU 24 HD23 LEU 24 2.302 14.699 -13.866 199 H GLU 25 H GLU 25 3.230 13.414 -18.902 200 HA GLU 25 HA GLU 25 1.206 11.369 -18.335 201 HB2 GLU 25 HB2 GLU 25 0.647 13.626 -19.238 202 HB3 GLU 25 HB3 GLU 25 1.542 13.231 -20.721 203 HG2 GLU 25 HG2 GLU 25 0.011 11.354 -21.161 204 HG3 GLU 25 HG3 GLU 25 -0.832 11.663 -19.636 205 H VAL 26 H VAL 26 4.072 11.789 -20.375 206 HA VAL 26 HA VAL 26 3.526 9.525 -22.087 207 HB VAL 26 HB VAL 26 6.078 11.042 -21.409 208 HG11 VAL 26 HG11 VAL 26 5.566 8.955 -23.575 209 HG12 VAL 26 HG12 VAL 26 7.004 9.997 -23.472 210 HG13 VAL 26 HG13 VAL 26 6.694 8.804 -22.204 211 HG21 VAL 26 HG21 VAL 26 4.258 11.064 -23.855 212 HG22 VAL 26 HG22 VAL 26 4.322 12.339 -22.617 213 HG23 VAL 26 HG23 VAL 26 5.736 12.029 -23.644 214 H LEU 27 H LEU 27 4.791 9.929 -18.847 215 HA LEU 27 HA LEU 27 5.832 7.167 -18.769 216 HB2 LEU 27 HB2 LEU 27 5.758 9.398 -16.704 217 HB3 LEU 27 HB3 LEU 27 6.474 7.803 -16.437 218 HG LEU 27 HG LEU 27 7.370 9.766 -18.590 219 HD11 LEU 27 HD11 LEU 27 8.620 8.979 -15.923 220 HD12 LEU 27 HD12 LEU 27 9.352 10.053 -17.137 221 HD13 LEU 27 HD13 LEU 27 7.865 10.545 -16.298 222 HD21 LEU 27 HD21 LEU 27 7.821 7.430 -19.224 223 HD22 LEU 27 HD22 LEU 27 9.328 8.243 -18.772 224 HD23 LEU 27 HD23 LEU 27 8.549 7.122 -17.630 225 H ASP 28 H ASP 28 2.804 8.340 -18.770 226 HA ASP 28 HA ASP 28 0.829 7.811 -17.825 227 HB2 ASP 28 HB2 ASP 28 1.474 5.711 -19.001 228 HB3 ASP 28 HB3 ASP 28 2.109 5.080 -17.479 229 H LYS 29 H LYS 29 2.585 9.092 -16.056 230 HA LYS 29 HA LYS 29 2.512 7.722 -13.477 231 HB2 LYS 29 HB2 LYS 29 3.985 9.867 -14.776 232 HB3 LYS 29 HB3 LYS 29 3.344 10.432 -13.223 233 HG2 LYS 29 HG2 LYS 29 4.926 7.855 -13.579 234 HG3 LYS 29 HG3 LYS 29 5.642 9.412 -13.093 235 HD2 LYS 29 HD2 LYS 29 4.060 9.524 -11.175 236 HD3 LYS 29 HD3 LYS 29 3.476 7.899 -11.581 237 HE2 LYS 29 HE2 LYS 29 6.374 8.602 -10.976 238 HE3 LYS 29 HE3 LYS 29 5.224 7.946 -9.799 239 HZ1 LYS 29 HZ1 LYS 29 6.139 6.631 -12.282 240 HZ2 LYS 29 HZ2 LYS 29 6.511 6.187 -10.738 241 HZ3 LYS 29 HZ3 LYS 29 4.975 6.028 -11.291 242 H THR 30 H THR 30 1.558 8.661 -11.543 243 HA THR 30 HA THR 30 -0.979 10.041 -12.137 244 HB THR 30 HB THR 30 0.082 8.832 -9.552 245 HG1 THR 30 HG1 THR 30 -0.422 7.356 -11.202 246 HG21 THR 30 HG21 THR 30 -2.661 9.942 -10.297 247 HG22 THR 30 HG22 THR 30 -2.268 9.071 -8.798 248 HG23 THR 30 HG23 THR 30 -1.531 10.653 -9.119 249 HA PRO 31 HA PRO 31 1.154 13.832 -11.008 250 HB2 PRO 31 HB2 PRO 31 -0.770 15.614 -11.663 251 HB3 PRO 31 HB3 PRO 31 0.085 14.655 -12.917 252 HG2 PRO 31 HG2 PRO 31 -2.604 14.060 -11.629 253 HG3 PRO 31 HG3 PRO 31 -2.216 14.122 -13.379 254 HD2 PRO 31 HD2 PRO 31 -2.241 11.777 -11.964 255 HD3 PRO 31 HD3 PRO 31 -1.065 12.069 -13.290 256 H VAL 32 H VAL 32 0.890 15.575 -9.432 257 HA VAL 32 HA VAL 32 -1.357 15.243 -7.511 258 HB VAL 32 HB VAL 32 0.206 15.487 -5.612 259 HG11 VAL 32 HG11 VAL 32 0.918 13.097 -7.350 260 HG12 VAL 32 HG12 VAL 32 0.965 13.209 -5.574 261 HG13 VAL 32 HG13 VAL 32 -0.595 13.243 -6.419 262 HG21 VAL 32 HG21 VAL 32 2.171 16.488 -6.733 263 HG22 VAL 32 HG22 VAL 32 2.605 14.953 -5.940 264 HG23 VAL 32 HG23 VAL 32 2.383 14.996 -7.694 265 H GLY 33 H GLY 33 1.239 17.269 -8.900 266 HA2 GLY 33 HA2 GLY 33 -0.267 19.553 -9.110 267 HA3 GLY 33 HA3 GLY 33 0.391 19.650 -7.472 268 H THR 34 H THR 34 1.088 21.632 -9.022 269 HA THR 34 HA THR 34 3.992 21.206 -9.396 270 HB THR 34 HB THR 34 2.171 22.660 -11.358 271 HG1 THR 34 HG1 THR 34 2.172 20.410 -11.588 272 HG21 THR 34 HG21 THR 34 4.288 22.904 -12.683 273 HG22 THR 34 HG22 THR 34 4.310 23.823 -11.162 274 HG23 THR 34 HG23 THR 34 5.197 22.283 -11.285 275 H VAL 35 H VAL 35 5.203 22.997 -8.717 276 HA VAL 35 HA VAL 35 3.672 25.353 -7.760 277 HB VAL 35 HB VAL 35 5.015 25.343 -5.671 278 HG11 VAL 35 HG11 VAL 35 3.708 23.612 -4.533 279 HG12 VAL 35 HG12 VAL 35 2.698 24.466 -5.718 280 HG13 VAL 35 HG13 VAL 35 3.330 22.838 -6.083 281 HG21 VAL 35 HG21 VAL 35 6.104 23.267 -4.943 282 HG22 VAL 35 HG22 VAL 35 5.752 22.501 -6.500 283 HG23 VAL 35 HG23 VAL 35 6.876 23.878 -6.424 284 H ASP 36 H ASP 36 4.940 27.253 -7.426 285 HA ASP 36 HA ASP 36 7.214 27.375 -9.325 286 HB2 ASP 36 HB2 ASP 36 5.447 29.560 -8.179 287 HB3 ASP 36 HB3 ASP 36 6.723 29.787 -9.385 288 H THR 37 H THR 37 6.855 26.932 -6.074 289 HA THR 37 HA THR 37 9.452 28.260 -5.521 290 HB THR 37 HB THR 37 8.643 28.937 -3.294 291 HG1 THR 37 HG1 THR 37 6.398 28.850 -2.915 292 HG21 THR 37 HG21 THR 37 7.264 30.834 -3.975 293 HG22 THR 37 HG22 THR 37 8.537 30.554 -5.183 294 HG23 THR 37 HG23 THR 37 6.866 30.038 -5.509 295 H VAL 38 H VAL 38 10.669 27.256 -3.817 296 HA VAL 38 HA VAL 38 10.235 24.374 -3.760 297 HB VAL 38 HB VAL 38 12.370 24.308 -2.567 298 HG11 VAL 38 HG11 VAL 38 12.414 26.204 -4.956 299 HG12 VAL 38 HG12 VAL 38 13.777 25.239 -4.357 300 HG13 VAL 38 HG13 VAL 38 12.351 24.427 -5.029 301 HG21 VAL 38 HG21 VAL 38 12.170 26.375 -1.227 302 HG22 VAL 38 HG22 VAL 38 13.660 26.377 -2.186 303 HG23 VAL 38 HG23 VAL 38 12.274 27.356 -2.710 304 H ALA 39 H ALA 39 9.503 27.075 -1.664 305 HA ALA 39 HA ALA 39 9.431 25.547 0.781 306 HB1 ALA 39 HB1 ALA 39 8.125 28.191 -0.002 307 HB2 ALA 39 HB2 ALA 39 8.265 27.559 1.658 308 HB3 ALA 39 HB3 ALA 39 9.727 27.992 0.739 309 H GLY 40 H GLY 40 7.189 26.086 -1.890 310 HA2 GLY 40 HA2 GLY 40 4.844 25.127 -0.457 311 HA3 GLY 40 HA3 GLY 40 5.010 25.399 -2.208 312 H ALA 41 H ALA 41 7.553 23.673 -2.187 313 HA ALA 41 HA ALA 41 6.170 21.152 -2.662 314 HB1 ALA 41 HB1 ALA 41 7.940 22.002 -4.165 315 HB2 ALA 41 HB2 ALA 41 9.118 21.918 -2.838 316 HB3 ALA 41 HB3 ALA 41 8.385 20.426 -3.469 317 H LEU 42 H LEU 42 8.196 22.589 -0.137 318 HA LEU 42 HA LEU 42 8.742 20.055 1.166 319 HB2 LEU 42 HB2 LEU 42 10.197 22.056 1.237 320 HB3 LEU 42 HB3 LEU 42 8.967 22.935 2.138 321 HG LEU 42 HG LEU 42 10.941 21.998 3.429 322 HD11 LEU 42 HD11 LEU 42 8.234 21.035 4.424 323 HD12 LEU 42 HD12 LEU 42 9.671 21.419 5.385 324 HD13 LEU 42 HD13 LEU 42 8.826 22.714 4.516 325 HD21 LEU 42 HD21 LEU 42 11.031 19.789 2.316 326 HD22 LEU 42 HD22 LEU 42 10.896 19.651 4.085 327 HD23 LEU 42 HD23 LEU 42 9.474 19.357 3.065 328 H ALA 43 H ALA 43 6.340 22.688 1.450 329 HA ALA 43 HA ALA 43 5.195 21.682 3.890 330 HB1 ALA 43 HB1 ALA 43 4.117 23.613 1.799 331 HB2 ALA 43 HB2 ALA 43 3.469 23.387 3.446 332 HB3 ALA 43 HB3 ALA 43 5.101 24.044 3.215 333 H ARG 44 H ARG 44 4.633 20.972 0.454 334 HA ARG 44 HA ARG 44 2.088 19.628 1.079 335 HB2 ARG 44 HB2 ARG 44 3.665 20.009 -1.485 336 HB3 ARG 44 HB3 ARG 44 2.183 19.041 -1.373 337 HG2 ARG 44 HG2 ARG 44 0.964 21.022 -0.480 338 HG3 ARG 44 HG3 ARG 44 2.435 21.993 -0.660 339 HD2 ARG 44 HD2 ARG 44 0.967 22.352 -2.576 340 HD3 ARG 44 HD3 ARG 44 2.431 21.503 -3.106 341 HE ARG 44 HE ARG 44 0.545 19.519 -2.480 342 HH11 ARG 44 HH11 ARG 44 0.798 22.188 -4.775 343 HH12 ARG 44 HH12 ARG 44 -0.237 21.421 -5.962 344 HH21 ARG 44 HH21 ARG 44 -0.776 18.533 -4.034 345 HH22 ARG 44 HH22 ARG 44 -1.107 19.331 -5.547 346 H VAL 45 H VAL 45 5.495 18.738 0.714 347 HA VAL 45 HA VAL 45 4.819 15.894 0.470 348 HB VAL 45 HB VAL 45 7.436 17.400 0.780 349 HG11 VAL 45 HG11 VAL 45 6.921 14.415 0.450 350 HG12 VAL 45 HG12 VAL 45 8.505 15.203 0.271 351 HG13 VAL 45 HG13 VAL 45 7.701 15.206 1.848 352 HG21 VAL 45 HG21 VAL 45 6.242 17.547 -1.425 353 HG22 VAL 45 HG22 VAL 45 7.764 16.641 -1.541 354 HG23 VAL 45 HG23 VAL 45 6.217 15.768 -1.495 355 H GLU 46 H GLU 46 5.501 18.220 3.027 356 HA GLU 46 HA GLU 46 5.974 16.199 5.062 357 HB2 GLU 46 HB2 GLU 46 6.857 18.517 5.157 358 HB3 GLU 46 HB3 GLU 46 5.201 19.136 5.301 359 HG2 GLU 46 HG2 GLU 46 4.912 17.961 7.430 360 HG3 GLU 46 HG3 GLU 46 6.490 17.176 7.245 361 H ASP 47 H ASP 47 3.200 17.461 3.449 362 HA ASP 47 HA ASP 47 1.326 16.731 5.593 363 HB2 ASP 47 HB2 ASP 47 0.999 18.754 4.183 364 HB3 ASP 47 HB3 ASP 47 0.859 17.716 2.757 365 H GLY 48 H GLY 48 2.985 15.159 3.067 366 HA2 GLY 48 HA2 GLY 48 2.878 12.916 2.451 367 HA3 GLY 48 HA3 GLY 48 1.377 12.735 3.372 368 H GLY 49 H GLY 49 0.925 11.431 1.300 369 HA2 GLY 49 HA2 GLY 49 -0.546 11.273 -0.477 370 HA3 GLY 49 HA3 GLY 49 -0.796 13.033 -0.422 371 H ILE 50 H ILE 50 2.522 12.190 -0.498 372 HA ILE 50 HA ILE 50 2.697 12.202 -3.454 373 HB ILE 50 HB ILE 50 4.189 14.121 -1.610 374 HG12 ILE 50 HG12 ILE 50 2.026 14.595 -3.707 375 HG13 ILE 50 HG13 ILE 50 1.860 14.811 -1.956 376 HG21 ILE 50 HG21 ILE 50 4.298 13.786 -4.639 377 HG22 ILE 50 HG22 ILE 50 5.164 15.021 -3.685 378 HG23 ILE 50 HG23 ILE 50 5.579 13.323 -3.491 379 HD11 ILE 50 HD11 ILE 50 3.636 16.568 -2.032 380 HD12 ILE 50 HD12 ILE 50 3.610 16.449 -3.815 381 HD13 ILE 50 HD13 ILE 50 2.166 16.976 -2.941 382 H ASP 51 H ASP 51 4.571 11.109 -4.226 383 HA ASP 51 HA ASP 51 5.845 9.435 -2.121 384 HB2 ASP 51 HB2 ASP 51 5.602 9.062 -5.126 385 HB3 ASP 51 HB3 ASP 51 6.442 7.967 -4.021 386 H ALA 52 H ALA 52 6.599 11.742 -4.720 387 HA ALA 52 HA ALA 52 9.263 12.156 -3.619 388 HB1 ALA 52 HB1 ALA 52 10.454 11.563 -5.713 389 HB2 ALA 52 HB2 ALA 52 9.691 10.137 -4.969 390 HB3 ALA 52 HB3 ALA 52 8.941 10.908 -6.381 391 H ALA 53 H ALA 53 10.499 13.736 -5.249 392 HA ALA 53 HA ALA 53 8.610 15.412 -6.773 393 HB1 ALA 53 HB1 ALA 53 10.222 16.470 -4.421 394 HB2 ALA 53 HB2 ALA 53 9.248 17.449 -5.542 395 HB3 ALA 53 HB3 ALA 53 8.453 16.276 -4.473 396 H ILE 54 H ILE 54 9.649 17.084 -8.021 397 HA ILE 54 HA ILE 54 12.531 16.571 -8.626 398 HB ILE 54 HB ILE 54 10.270 17.545 -10.420 399 HG12 ILE 54 HG12 ILE 54 11.893 14.960 -10.465 400 HG13 ILE 54 HG13 ILE 54 10.220 15.116 -9.913 401 HG21 ILE 54 HG21 ILE 54 13.209 17.045 -11.066 402 HG22 ILE 54 HG22 ILE 54 11.948 17.556 -12.215 403 HG23 ILE 54 HG23 ILE 54 12.446 18.646 -10.919 404 HD11 ILE 54 HD11 ILE 54 11.228 15.629 -12.743 405 HD12 ILE 54 HD12 ILE 54 10.226 14.273 -12.192 406 HD13 ILE 54 HD13 ILE 54 9.561 15.918 -12.189 407 H LEU 55 H LEU 55 13.863 18.274 -8.195 408 HA LEU 55 HA LEU 55 12.535 20.849 -7.453 409 HB2 LEU 55 HB2 LEU 55 14.829 19.275 -6.275 410 HB3 LEU 55 HB3 LEU 55 14.755 21.017 -6.061 411 HG LEU 55 HG LEU 55 13.847 19.750 -4.148 412 HD11 LEU 55 HD11 LEU 55 11.819 21.484 -5.606 413 HD12 LEU 55 HD12 LEU 55 11.845 21.140 -3.861 414 HD13 LEU 55 HD13 LEU 55 13.165 22.070 -4.598 415 HD21 LEU 55 HD21 LEU 55 12.753 17.896 -5.446 416 HD22 LEU 55 HD22 LEU 55 11.696 18.666 -4.236 417 HD23 LEU 55 HD23 LEU 55 11.500 19.061 -5.953 418 H ASP 56 H ASP 56 12.967 22.519 -8.742 419 HA ASP 56 HA ASP 56 15.330 22.628 -10.437 420 HB2 ASP 56 HB2 ASP 56 13.369 23.735 -11.230 421 HB3 ASP 56 HB3 ASP 56 13.122 24.562 -9.683 422 H VAL 57 H VAL 57 17.274 23.595 -9.997 423 HA VAL 57 HA VAL 57 17.624 24.692 -7.268 424 HB VAL 57 HB VAL 57 19.036 22.798 -8.027 425 HG11 VAL 57 HG11 VAL 57 20.847 23.194 -9.632 426 HG12 VAL 57 HG12 VAL 57 19.267 23.433 -10.409 427 HG13 VAL 57 HG13 VAL 57 20.251 24.837 -9.936 428 HG21 VAL 57 HG21 VAL 57 19.793 24.383 -6.275 429 HG22 VAL 57 HG22 VAL 57 21.138 23.683 -7.205 430 HG23 VAL 57 HG23 VAL 57 20.612 25.349 -7.527 431 H ASN 58 H ASN 58 17.187 25.723 -10.472 432 HA ASN 58 HA ASN 58 17.450 27.654 -11.588 433 HB2 ASN 58 HB2 ASN 58 16.047 28.243 -9.514 434 HB3 ASN 58 HB3 ASN 58 17.489 29.084 -8.927 435 HD21 ASN 58 HD21 ASN 58 15.378 30.479 -12.220 436 HD22 ASN 58 HD22 ASN 58 15.226 28.812 -11.702 437 H LEU 59 H LEU 59 18.773 30.046 -11.254 438 HA LEU 59 HA LEU 59 21.537 29.205 -11.638 439 HB2 LEU 59 HB2 LEU 59 20.245 31.956 -11.676 440 HB3 LEU 59 HB3 LEU 59 21.887 31.584 -12.212 441 HG LEU 59 HG LEU 59 19.323 30.493 -13.452 442 HD11 LEU 59 HD11 LEU 59 19.959 31.914 -15.360 443 HD12 LEU 59 HD12 LEU 59 19.731 32.889 -13.893 444 HD13 LEU 59 HD13 LEU 59 21.374 32.512 -14.466 445 HD21 LEU 59 HD21 LEU 59 21.151 28.860 -13.679 446 HD22 LEU 59 HD22 LEU 59 20.856 29.654 -15.233 447 HD23 LEU 59 HD23 LEU 59 22.249 30.145 -14.247 448 H ARG 60 H ARG 60 23.359 30.271 -10.574 449 HA ARG 60 HA ARG 60 22.953 30.252 -7.684 450 HB2 ARG 60 HB2 ARG 60 25.444 30.541 -9.400 451 HB3 ARG 60 HB3 ARG 60 25.448 30.466 -7.630 452 HG2 ARG 60 HG2 ARG 60 24.442 28.292 -9.510 453 HG3 ARG 60 HG3 ARG 60 25.947 28.266 -8.578 454 HD2 ARG 60 HD2 ARG 60 23.112 28.218 -7.486 455 HD3 ARG 60 HD3 ARG 60 24.298 26.907 -7.442 456 HE ARG 60 HE ARG 60 25.685 28.320 -5.935 457 HH11 ARG 60 HH11 ARG 60 22.204 28.974 -6.161 458 HH12 ARG 60 HH12 ARG 60 22.172 29.838 -4.637 459 HH21 ARG 60 HH21 ARG 60 25.558 29.433 -3.936 460 HH22 ARG 60 HH22 ARG 60 24.023 30.088 -3.408 461 H GLY 61 H GLY 61 23.644 31.833 -6.222 462 HA2 GLY 61 HA2 GLY 61 24.257 34.538 -7.055 463 HA3 GLY 61 HA3 GLY 61 22.569 34.342 -6.557 464 H GLY 62 H GLY 62 23.149 35.842 -4.800 465 HA2 GLY 62 HA2 GLY 62 25.055 35.086 -2.767 466 HA3 GLY 62 HA3 GLY 62 23.855 36.388 -2.681 467 H GLU 63 H GLU 63 22.228 33.557 -3.503 468 HA GLU 63 HA GLU 63 21.679 32.869 -0.654 469 HB2 GLU 63 HB2 GLU 63 19.319 32.653 -1.220 470 HB3 GLU 63 HB3 GLU 63 19.889 34.297 -1.534 471 HG2 GLU 63 HG2 GLU 63 20.149 33.722 -3.955 472 HG3 GLU 63 HG3 GLU 63 19.506 32.107 -3.620 473 H LYS 64 H LYS 64 20.484 30.727 -0.491 474 HA LYS 64 HA LYS 64 21.692 28.785 -2.408 475 HB2 LYS 64 HB2 LYS 64 21.044 28.489 0.546 476 HB3 LYS 64 HB3 LYS 64 21.625 27.184 -0.515 477 HG2 LYS 64 HG2 LYS 64 23.677 28.494 -0.995 478 HG3 LYS 64 HG3 LYS 64 23.112 29.771 0.108 479 HD2 LYS 64 HD2 LYS 64 23.112 28.177 1.983 480 HD3 LYS 64 HD3 LYS 64 23.611 26.870 0.887 481 HE2 LYS 64 HE2 LYS 64 25.559 27.692 2.090 482 HE3 LYS 64 HE3 LYS 64 25.703 28.115 0.378 483 HZ1 LYS 64 HZ1 LYS 64 26.265 29.949 1.821 484 HZ2 LYS 64 HZ2 LYS 64 24.934 30.324 0.931 485 HZ3 LYS 64 HZ3 LYS 64 24.781 29.916 2.521 486 H SER 65 H SER 65 20.489 26.812 -2.781 487 HA SER 65 HA SER 65 17.573 26.978 -2.345 488 HB2 SER 65 HB2 SER 65 17.169 26.645 -4.780 489 HB3 SER 65 HB3 SER 65 17.949 28.202 -4.426 490 HG SER 65 HG SER 65 18.941 27.044 -6.163 491 H THR 66 H THR 66 20.252 25.178 -1.984 492 HA THR 66 HA THR 66 19.088 22.654 -3.010 493 HB THR 66 HB THR 66 21.350 21.734 -2.573 494 HG1 THR 66 HG1 THR 66 22.983 23.260 -2.120 495 HG21 THR 66 HG21 THR 66 21.320 24.261 -4.274 496 HG22 THR 66 HG22 THR 66 22.457 22.907 -4.423 497 HG23 THR 66 HG23 THR 66 20.737 22.661 -4.790 498 HA PRO 67 HA PRO 67 19.894 21.915 1.751 499 HB2 PRO 67 HB2 PRO 67 18.460 24.398 2.662 500 HB3 PRO 67 HB3 PRO 67 19.798 23.515 3.464 501 HG2 PRO 67 HG2 PRO 67 20.317 25.811 2.140 502 HG3 PRO 67 HG3 PRO 67 21.396 24.388 1.910 503 HD2 PRO 67 HD2 PRO 67 19.107 25.310 0.143 504 HD3 PRO 67 HD3 PRO 67 20.784 24.861 -0.319 505 H VAL 68 H VAL 68 17.147 23.255 0.024 506 HA VAL 68 HA VAL 68 15.129 22.217 1.817 507 HB VAL 68 HB VAL 68 14.825 24.168 0.326 508 HG11 VAL 68 HG11 VAL 68 16.049 23.247 -1.655 509 HG12 VAL 68 HG12 VAL 68 14.703 22.118 -1.928 510 HG13 VAL 68 HG13 VAL 68 14.437 23.871 -2.059 511 HG21 VAL 68 HG21 VAL 68 12.544 23.625 -0.365 512 HG22 VAL 68 HG22 VAL 68 12.898 21.885 -0.260 513 HG23 VAL 68 HG23 VAL 68 12.890 22.889 1.213 514 H ALA 69 H ALA 69 16.995 20.886 -0.876 515 HA ALA 69 HA ALA 69 15.171 18.689 -1.367 516 HB1 ALA 69 HB1 ALA 69 18.136 19.017 -2.000 517 HB2 ALA 69 HB2 ALA 69 17.049 17.788 -2.680 518 HB3 ALA 69 HB3 ALA 69 16.783 19.506 -3.054 519 H GLU 70 H GLU 70 17.854 19.354 0.850 520 HA GLU 70 HA GLU 70 18.107 16.574 1.675 521 HB2 GLU 70 HB2 GLU 70 19.233 19.173 2.774 522 HB3 GLU 70 HB3 GLU 70 19.651 17.554 3.381 523 HG2 GLU 70 HG2 GLU 70 20.486 16.891 1.169 524 HG3 GLU 70 HG3 GLU 70 19.989 18.431 0.482 525 H ALA 71 H ALA 71 16.027 19.259 2.481 526 HA ALA 71 HA ALA 71 15.232 18.211 5.069 527 HB1 ALA 71 HB1 ALA 71 14.897 20.580 4.416 528 HB2 ALA 71 HB2 ALA 71 13.781 20.057 3.124 529 HB3 ALA 71 HB3 ALA 71 13.362 19.784 4.830 530 H LEU 72 H LEU 72 14.283 17.732 1.651 531 HA LEU 72 HA LEU 72 12.021 16.040 2.266 532 HB2 LEU 72 HB2 LEU 72 13.791 16.199 -0.211 533 HB3 LEU 72 HB3 LEU 72 12.250 15.338 -0.113 534 HG LEU 72 HG LEU 72 12.595 18.335 0.317 535 HD11 LEU 72 HD11 LEU 72 11.492 16.774 -2.055 536 HD12 LEU 72 HD12 LEU 72 11.512 18.545 -1.882 537 HD13 LEU 72 HD13 LEU 72 13.041 17.650 -2.016 538 HD21 LEU 72 HD21 LEU 72 10.628 17.418 1.510 539 HD22 LEU 72 HD22 LEU 72 10.131 18.385 0.107 540 HD23 LEU 72 HD23 LEU 72 10.105 16.610 0.010 541 H ALA 73 H ALA 73 15.526 15.569 2.052 542 HA ALA 73 HA ALA 73 15.385 12.673 2.082 543 HB1 ALA 73 HB1 ALA 73 17.355 13.901 1.223 544 HB2 ALA 73 HB2 ALA 73 17.640 14.569 2.844 545 HB3 ALA 73 HB3 ALA 73 17.793 12.821 2.563 546 H ALA 74 H ALA 74 15.141 15.233 4.490 547 HA ALA 74 HA ALA 74 15.588 13.443 6.748 548 HB1 ALA 74 HB1 ALA 74 14.397 16.239 6.612 549 HB2 ALA 74 HB2 ALA 74 14.919 15.389 8.081 550 HB3 ALA 74 HB3 ALA 74 16.119 15.855 6.858 551 H ARG 75 H ARG 75 13.013 14.140 4.573 552 HA ARG 75 HA ARG 75 11.013 12.862 6.365 553 HB2 ARG 75 HB2 ARG 75 10.714 14.201 3.646 554 HB3 ARG 75 HB3 ARG 75 9.389 13.536 4.610 555 HG2 ARG 75 HG2 ARG 75 11.200 15.831 5.469 556 HG3 ARG 75 HG3 ARG 75 9.551 15.993 4.836 557 HD2 ARG 75 HD2 ARG 75 8.676 14.689 6.738 558 HD3 ARG 75 HD3 ARG 75 10.310 14.502 7.384 559 HE ARG 75 HE ARG 75 8.668 16.970 7.350 560 HH11 ARG 75 HH11 ARG 75 11.767 15.442 8.121 561 HH12 ARG 75 HH12 ARG 75 12.292 16.767 9.135 562 HH21 ARG 75 HH21 ARG 75 9.375 18.657 8.643 563 HH22 ARG 75 HH22 ARG 75 10.927 18.579 9.458 564 H ASP 76 H ASP 76 13.435 11.805 4.551 565 HA ASP 76 HA ASP 76 13.937 10.010 3.342 566 HB2 ASP 76 HB2 ASP 76 13.063 8.970 5.425 567 HB3 ASP 76 HB3 ASP 76 11.507 8.736 4.625 568 H ILE 77 H ILE 77 12.375 11.982 1.970 569 HA ILE 77 HA ILE 77 10.878 10.310 0.012 570 HB ILE 77 HB ILE 77 10.803 13.290 0.579 571 HG12 ILE 77 HG12 ILE 77 9.642 12.001 2.295 572 HG13 ILE 77 HG13 ILE 77 8.484 12.856 1.279 573 HG21 ILE 77 HG21 ILE 77 9.329 11.611 -1.475 574 HG22 ILE 77 HG22 ILE 77 8.910 13.290 -1.053 575 HG23 ILE 77 HG23 ILE 77 10.481 12.922 -1.794 576 HD11 ILE 77 HD11 ILE 77 8.022 10.756 0.026 577 HD12 ILE 77 HD12 ILE 77 9.167 9.891 1.080 578 HD13 ILE 77 HD13 ILE 77 7.688 10.591 1.760 579 HA PRO 78 HA PRO 78 14.535 10.842 -2.521 580 HB2 PRO 78 HB2 PRO 78 12.656 9.869 -4.647 581 HB3 PRO 78 HB3 PRO 78 14.304 9.286 -4.245 582 HG2 PRO 78 HG2 PRO 78 12.139 7.850 -3.493 583 HG3 PRO 78 HG3 PRO 78 13.490 8.105 -2.336 584 HD2 PRO 78 HD2 PRO 78 10.885 9.659 -2.527 585 HD3 PRO 78 HD3 PRO 78 11.661 8.928 -1.084 586 H PHE 79 H PHE 79 15.288 12.181 -4.234 587 HA PHE 79 HA PHE 79 13.380 13.892 -5.655 588 HB2 PHE 79 HB2 PHE 79 14.369 15.958 -4.904 589 HB3 PHE 79 HB3 PHE 79 13.779 15.065 -3.501 590 HD1 PHE 79 HD1 PHE 79 16.847 16.008 -5.408 591 HD2 PHE 79 HD2 PHE 79 15.269 14.374 -1.754 592 HE1 PHE 79 HE1 PHE 79 19.084 16.183 -4.363 593 HE2 PHE 79 HE2 PHE 79 17.512 14.590 -0.703 594 HZ PHE 79 HZ PHE 79 19.403 15.497 -1.991 595 H VAL 80 H VAL 80 14.493 15.263 -7.268 596 HA VAL 80 HA VAL 80 17.280 14.519 -7.915 597 HB VAL 80 HB VAL 80 16.721 14.211 -10.291 598 HG11 VAL 80 HG11 VAL 80 15.091 12.353 -8.507 599 HG12 VAL 80 HG12 VAL 80 15.721 11.989 -10.130 600 HG13 VAL 80 HG13 VAL 80 16.842 12.238 -8.772 601 HG21 VAL 80 HG21 VAL 80 14.644 15.525 -10.386 602 HG22 VAL 80 HG22 VAL 80 14.376 13.873 -10.993 603 HG23 VAL 80 HG23 VAL 80 13.821 14.321 -9.366 604 H PHE 81 H PHE 81 18.256 16.077 -9.460 605 HA PHE 81 HA PHE 81 17.189 18.773 -8.880 606 HB2 PHE 81 HB2 PHE 81 19.835 17.864 -10.045 607 HB3 PHE 81 HB3 PHE 81 19.409 19.522 -9.623 608 HD1 PHE 81 HD1 PHE 81 18.170 19.247 -6.946 609 HD2 PHE 81 HD2 PHE 81 21.559 17.236 -8.669 610 HE1 PHE 81 HE1 PHE 81 19.161 18.954 -4.681 611 HE2 PHE 81 HE2 PHE 81 22.554 16.972 -6.420 612 HZ PHE 81 HZ PHE 81 21.349 17.828 -4.420 613 H ALA 82 H ALA 82 17.151 20.419 -10.491 614 HA ALA 82 HA ALA 82 17.375 19.614 -13.320 615 HB1 ALA 82 HB1 ALA 82 15.257 20.776 -13.862 616 HB2 ALA 82 HB2 ALA 82 14.977 19.385 -12.790 617 HB3 ALA 82 HB3 ALA 82 14.955 21.039 -12.129 618 H THR 83 H THR 83 18.321 21.255 -14.541 619 HA THR 83 HA THR 83 18.492 23.975 -13.454 620 HB THR 83 HB THR 83 20.235 22.782 -12.196 621 HG1 THR 83 HG1 THR 83 21.421 24.349 -14.227 622 HG21 THR 83 HG21 THR 83 21.459 22.128 -14.909 623 HG22 THR 83 HG22 THR 83 22.196 21.834 -13.323 624 HG23 THR 83 HG23 THR 83 20.720 20.960 -13.791 625 H GLY 84 H GLY 84 19.477 25.487 -14.927 626 HA2 GLY 84 HA2 GLY 84 19.258 24.760 -17.754 627 HA3 GLY 84 HA3 GLY 84 19.686 26.346 -17.076 628 H GLY 85 H GLY 85 21.208 25.713 -19.165 629 HA2 GLY 85 HA2 GLY 85 23.496 24.074 -18.588 630 HA3 GLY 85 HA3 GLY 85 23.360 25.285 -19.879 631 H SER 86 H SER 86 24.994 24.492 -17.085 632 HA SER 86 HA SER 86 26.197 27.156 -16.882 633 HB2 SER 86 HB2 SER 86 24.298 27.334 -15.331 634 HB3 SER 86 HB3 SER 86 24.784 25.815 -14.546 635 HG SER 86 HG SER 86 25.528 27.688 -13.439 636 H ASP 87 H ASP 87 28.205 27.132 -15.690 637 HA ASP 87 HA ASP 87 29.388 24.415 -15.468 638 HB2 ASP 87 HB2 ASP 87 30.681 27.132 -15.871 639 HB3 ASP 87 HB3 ASP 87 31.551 25.594 -15.721 640 H ASP 88 H ASP 88 27.943 26.657 -13.491 641 HA ASP 88 HA ASP 88 29.715 25.936 -11.204 642 HB2 ASP 88 HB2 ASP 88 28.599 28.689 -11.852 643 HB3 ASP 88 HB3 ASP 88 29.414 28.252 -10.348 644 H SER 89 H SER 89 26.601 25.788 -12.477 645 HA SER 89 HA SER 89 25.256 26.186 -9.896 646 HB2 SER 89 HB2 SER 89 24.142 25.336 -12.593 647 HB3 SER 89 HB3 SER 89 23.193 25.733 -11.145 648 HG SER 89 HG SER 89 23.387 27.519 -12.536 649 H VAL 90 H VAL 90 27.188 23.810 -10.860 650 HA VAL 90 HA VAL 90 25.581 21.736 -9.482 651 HB VAL 90 HB VAL 90 26.496 20.036 -11.063 652 HG11 VAL 90 HG11 VAL 90 24.746 22.187 -12.321 653 HG12 VAL 90 HG12 VAL 90 24.850 20.489 -12.825 654 HG13 VAL 90 HG13 VAL 90 24.182 20.898 -11.233 655 HG21 VAL 90 HG21 VAL 90 28.363 21.379 -11.998 656 HG22 VAL 90 HG22 VAL 90 27.283 20.757 -13.267 657 HG23 VAL 90 HG23 VAL 90 27.183 22.460 -12.783 658 H ASP 91 H ASP 91 26.787 20.067 -8.511 659 HA ASP 91 HA ASP 91 29.667 20.500 -8.020 660 HB2 ASP 91 HB2 ASP 91 28.405 21.947 -6.424 661 HB3 ASP 91 HB3 ASP 91 27.530 20.521 -5.846 662 H SER 92 H SER 92 30.212 18.617 -6.185 663 HA SER 92 HA SER 92 29.762 16.159 -7.499 664 HB2 SER 92 HB2 SER 92 30.587 16.721 -4.620 665 HB3 SER 92 HB3 SER 92 30.765 15.167 -5.462 666 HG SER 92 HG SER 92 32.669 16.481 -5.553 667 H ARG 93 H ARG 93 27.676 17.900 -5.333 668 HA ARG 93 HA ARG 93 26.124 15.706 -4.315 669 HB2 ARG 93 HB2 ARG 93 25.474 18.614 -4.942 670 HB3 ARG 93 HB3 ARG 93 24.368 17.516 -4.094 671 HG2 ARG 93 HG2 ARG 93 25.881 17.270 -2.241 672 HG3 ARG 93 HG3 ARG 93 27.199 18.064 -3.128 673 HD2 ARG 93 HD2 ARG 93 26.152 19.582 -1.466 674 HD3 ARG 93 HD3 ARG 93 26.022 20.184 -3.121 675 HE ARG 93 HE ARG 93 23.688 19.520 -3.167 676 HH11 ARG 93 HH11 ARG 93 25.189 19.463 0.052 677 HH12 ARG 93 HH12 ARG 93 23.642 19.579 0.869 678 HH21 ARG 93 HH21 ARG 93 21.722 19.689 -2.036 679 HH22 ARG 93 HH22 ARG 93 21.737 19.763 -0.287 680 H PHE 94 H PHE 94 26.231 17.434 -7.388 681 HA PHE 94 HA PHE 94 23.766 16.185 -8.402 682 HB2 PHE 94 HB2 PHE 94 25.800 18.028 -9.716 683 HB3 PHE 94 HB3 PHE 94 24.220 17.594 -10.369 684 HD1 PHE 94 HD1 PHE 94 22.431 19.048 -10.036 685 HD2 PHE 94 HD2 PHE 94 25.773 19.184 -7.338 686 HE1 PHE 94 HE1 PHE 94 21.422 20.995 -8.883 687 HE2 PHE 94 HE2 PHE 94 24.756 21.130 -6.175 688 HZ PHE 94 HZ PHE 94 22.577 22.032 -6.947 689 H ARG 95 H ARG 95 27.142 15.582 -8.223 690 HA ARG 95 HA ARG 95 27.174 13.778 -10.552 691 HB2 ARG 95 HB2 ARG 95 29.283 14.291 -8.423 692 HB3 ARG 95 HB3 ARG 95 29.510 13.435 -9.962 693 HG2 ARG 95 HG2 ARG 95 28.912 15.506 -11.197 694 HG3 ARG 95 HG3 ARG 95 28.723 16.372 -9.662 695 HD2 ARG 95 HD2 ARG 95 31.100 15.863 -9.101 696 HD3 ARG 95 HD3 ARG 95 31.281 15.071 -10.673 697 HE ARG 95 HE ARG 95 30.793 17.244 -11.741 698 HH11 ARG 95 HH11 ARG 95 31.804 17.310 -8.340 699 HH12 ARG 95 HH12 ARG 95 32.377 18.957 -8.436 700 HH21 ARG 95 HH21 ARG 95 31.531 19.391 -11.809 701 HH22 ARG 95 HH22 ARG 95 32.220 20.125 -10.381 702 H ASP 96 H ASP 96 26.167 13.683 -7.306 703 HA ASP 96 HA ASP 96 26.453 10.714 -7.203 704 HB2 ASP 96 HB2 ASP 96 27.623 11.974 -5.429 705 HB3 ASP 96 HB3 ASP 96 26.088 12.726 -4.964 706 H ARG 97 H ARG 97 24.204 13.329 -7.549 707 HA ARG 97 HA ARG 97 21.965 11.398 -7.181 708 HB2 ARG 97 HB2 ARG 97 21.961 14.390 -6.593 709 HB3 ARG 97 HB3 ARG 97 20.559 13.318 -6.481 710 HG2 ARG 97 HG2 ARG 97 23.096 13.054 -4.810 711 HG3 ARG 97 HG3 ARG 97 21.581 13.792 -4.265 712 HD2 ARG 97 HD2 ARG 97 20.391 11.657 -4.625 713 HD3 ARG 97 HD3 ARG 97 21.899 10.902 -5.174 714 HE ARG 97 HE ARG 97 22.373 12.036 -2.622 715 HH11 ARG 97 HH11 ARG 97 20.492 9.439 -4.101 716 HH12 ARG 97 HH12 ARG 97 20.505 8.447 -2.660 717 HH21 ARG 97 HH21 ARG 97 22.380 10.718 -0.754 718 HH22 ARG 97 HH22 ARG 97 21.573 9.167 -0.775 719 HA PRO 98 HA PRO 98 21.072 12.127 -11.368 720 HB2 PRO 98 HB2 PRO 98 18.170 12.283 -10.643 721 HB3 PRO 98 HB3 PRO 98 18.975 11.226 -11.845 722 HG2 PRO 98 HG2 PRO 98 18.183 10.212 -9.456 723 HG3 PRO 98 HG3 PRO 98 19.788 9.768 -10.132 724 HD2 PRO 98 HD2 PRO 98 19.164 11.867 -8.039 725 HD3 PRO 98 HD3 PRO 98 20.427 10.598 -8.026 726 H VAL 99 H VAL 99 20.645 13.742 -12.867 727 HA VAL 99 HA VAL 99 19.221 16.182 -12.081 728 HB VAL 99 HB VAL 99 21.487 16.589 -11.239 729 HG11 VAL 99 HG11 VAL 99 22.413 16.120 -14.104 730 HG12 VAL 99 HG12 VAL 99 23.415 16.707 -12.760 731 HG13 VAL 99 HG13 VAL 99 22.749 15.061 -12.717 732 HG21 VAL 99 HG21 VAL 99 20.188 18.464 -12.259 733 HG22 VAL 99 HG22 VAL 99 21.944 18.675 -12.398 734 HG23 VAL 99 HG23 VAL 99 21.003 18.150 -13.808 735 H LEU 100 H LEU 100 18.576 17.427 -13.927 736 HA LEU 100 HA LEU 100 19.361 16.384 -16.575 737 HB2 LEU 100 HB2 LEU 100 17.325 15.128 -15.725 738 HB3 LEU 100 HB3 LEU 100 16.457 16.667 -15.706 739 HG LEU 100 HG LEU 100 16.817 16.882 -18.159 740 HD11 LEU 100 HD11 LEU 100 18.039 14.099 -17.882 741 HD12 LEU 100 HD12 LEU 100 17.640 14.904 -19.417 742 HD13 LEU 100 HD13 LEU 100 18.915 15.566 -18.379 743 HD21 LEU 100 HD21 LEU 100 14.795 15.759 -17.250 744 HD22 LEU 100 HD22 LEU 100 15.281 15.079 -18.818 745 HD23 LEU 100 HD23 LEU 100 15.645 14.201 -17.313 746 H GLN 101 H GLN 101 19.022 17.892 -18.296 747 HA GLN 101 HA GLN 101 19.164 20.643 -17.414 748 HB2 GLN 101 HB2 GLN 101 19.627 21.171 -19.699 749 HB3 GLN 101 HB3 GLN 101 20.555 19.737 -19.267 750 HG2 GLN 101 HG2 GLN 101 17.876 19.663 -20.731 751 HG3 GLN 101 HG3 GLN 101 19.435 19.710 -21.552 752 HE21 GLN 101 HE21 GLN 101 18.195 16.157 -21.261 753 HE22 GLN 101 HE22 GLN 101 17.450 17.649 -21.813 754 H LYS 102 H LYS 102 17.844 22.387 -18.574 755 HA LYS 102 HA LYS 102 15.131 22.078 -17.850 756 HB2 LYS 102 HB2 LYS 102 16.515 24.099 -19.653 757 HB3 LYS 102 HB3 LYS 102 14.823 24.232 -19.148 758 HG2 LYS 102 HG2 LYS 102 17.167 24.052 -17.217 759 HG3 LYS 102 HG3 LYS 102 16.430 25.568 -17.766 760 HD2 LYS 102 HD2 LYS 102 14.248 24.864 -16.847 761 HD3 LYS 102 HD3 LYS 102 14.975 23.352 -16.258 762 HE2 LYS 102 HE2 LYS 102 16.534 24.615 -14.850 763 HE3 LYS 102 HE3 LYS 102 15.873 26.149 -15.453 764 HZ1 LYS 102 HZ1 LYS 102 14.954 25.491 -13.327 765 HZ2 LYS 102 HZ2 LYS 102 13.781 25.593 -14.473 766 HZ3 LYS 102 HZ3 LYS 102 14.324 24.124 -13.985 767 HA PRO 103 HA PRO 103 13.866 21.337 -22.353 768 HB2 PRO 103 HB2 PRO 103 15.684 20.642 -24.262 769 HB3 PRO 103 HB3 PRO 103 15.298 22.349 -23.877 770 HG2 PRO 103 HG2 PRO 103 17.622 20.686 -22.853 771 HG3 PRO 103 HG3 PRO 103 17.667 22.342 -23.543 772 HD2 PRO 103 HD2 PRO 103 17.635 21.902 -20.865 773 HD3 PRO 103 HD3 PRO 103 16.758 23.283 -21.590 774 H PHE 104 H PHE 104 12.898 19.472 -21.749 775 HA PHE 104 HA PHE 104 14.458 17.100 -21.040 776 HB2 PHE 104 HB2 PHE 104 11.531 17.842 -21.071 777 HB3 PHE 104 HB3 PHE 104 12.037 16.164 -20.914 778 HD1 PHE 104 HD1 PHE 104 14.287 18.596 -19.359 779 HD2 PHE 104 HD2 PHE 104 10.769 16.181 -18.772 780 HE1 PHE 104 HE1 PHE 104 14.547 18.803 -16.909 781 HE2 PHE 104 HE2 PHE 104 11.058 16.378 -16.317 782 HZ PHE 104 HZ PHE 104 12.945 17.682 -15.385 783 H THR 105 H THR 105 14.289 15.061 -22.039 784 HA THR 105 HA THR 105 13.186 14.953 -24.786 785 HB THR 105 HB THR 105 15.232 13.831 -25.581 786 HG1 THR 105 HG1 THR 105 17.086 13.979 -24.237 787 HG21 THR 105 HG21 THR 105 15.003 16.296 -25.874 788 HG22 THR 105 HG22 THR 105 15.873 16.540 -24.339 789 HG23 THR 105 HG23 THR 105 16.699 15.785 -25.716 790 H MET 106 H MET 106 12.947 12.673 -25.519 791 HA MET 106 HA MET 106 11.731 11.132 -23.445 792 HB2 MET 106 HB2 MET 106 12.552 10.403 -26.287 793 HB3 MET 106 HB3 MET 106 11.586 9.373 -25.221 794 HG2 MET 106 HG2 MET 106 10.063 10.520 -26.636 795 HG3 MET 106 HG3 MET 106 9.901 11.202 -25.015 796 HE1 MET 106 HE1 MET 106 8.995 14.231 -27.270 797 HE2 MET 106 HE2 MET 106 8.601 12.517 -27.529 798 HE3 MET 106 HE3 MET 106 8.522 13.208 -25.892 799 H ASP 107 H ASP 107 15.021 11.191 -24.741 800 HA ASP 107 HA ASP 107 15.708 8.620 -23.520 801 HB2 ASP 107 HB2 ASP 107 16.702 9.363 -25.639 802 HB3 ASP 107 HB3 ASP 107 17.413 10.767 -24.820 803 H GLY 108 H GLY 108 16.073 12.106 -22.773 804 HA2 GLY 108 HA2 GLY 108 17.956 11.638 -20.614 805 HA3 GLY 108 HA3 GLY 108 17.137 13.160 -21.027 806 H VAL 109 H VAL 109 14.419 11.976 -20.899 807 HA VAL 109 HA VAL 109 14.040 12.255 -18.020 808 HB VAL 109 HB VAL 109 12.154 11.770 -20.355 809 HG11 VAL 109 HG11 VAL 109 11.517 12.362 -17.431 810 HG12 VAL 109 HG12 VAL 109 10.340 12.350 -18.768 811 HG13 VAL 109 HG13 VAL 109 11.153 10.848 -18.297 812 HG21 VAL 109 HG21 VAL 109 12.692 14.209 -18.603 813 HG22 VAL 109 HG22 VAL 109 13.266 13.997 -20.270 814 HG23 VAL 109 HG23 VAL 109 11.522 14.117 -19.937 815 H ALA 110 H ALA 110 14.163 9.595 -20.396 816 HA ALA 110 HA ALA 110 12.872 7.673 -18.699 817 HB1 ALA 110 HB1 ALA 110 14.851 7.336 -20.993 818 HB2 ALA 110 HB2 ALA 110 13.871 6.038 -20.277 819 HB3 ALA 110 HB3 ALA 110 13.074 7.378 -21.127 820 H LYS 111 H LYS 111 16.209 8.891 -18.948 821 HA LYS 111 HA LYS 111 17.242 6.736 -17.243 822 HB2 LYS 111 HB2 LYS 111 18.489 9.246 -18.415 823 HB3 LYS 111 HB3 LYS 111 19.365 8.045 -17.445 824 HG2 LYS 111 HG2 LYS 111 18.843 6.286 -19.083 825 HG3 LYS 111 HG3 LYS 111 17.878 7.419 -20.036 826 HD2 LYS 111 HD2 LYS 111 20.089 7.144 -21.043 827 HD3 LYS 111 HD3 LYS 111 19.877 8.801 -20.463 828 HE2 LYS 111 HE2 LYS 111 22.103 8.029 -19.891 829 HE3 LYS 111 HE3 LYS 111 21.159 8.243 -18.408 830 HZ1 LYS 111 HZ1 LYS 111 22.389 6.182 -18.397 831 HZ2 LYS 111 HZ2 LYS 111 20.781 5.855 -18.401 832 HZ3 LYS 111 HZ3 LYS 111 21.657 5.678 -19.779 833 H ALA 112 H ALA 112 16.145 10.110 -16.872 834 HA ALA 112 HA ALA 112 17.345 10.407 -14.252 835 HB1 ALA 112 HB1 ALA 112 15.133 11.967 -15.643 836 HB2 ALA 112 HB2 ALA 112 16.010 12.476 -14.187 837 HB3 ALA 112 HB3 ALA 112 16.877 12.322 -15.732 838 H LEU 113 H LEU 113 14.102 9.451 -15.490 839 HA LEU 113 HA LEU 113 13.068 9.285 -12.751 840 HB2 LEU 113 HB2 LEU 113 11.935 8.815 -15.513 841 HB3 LEU 113 HB3 LEU 113 11.085 8.231 -14.084 842 HG LEU 113 HG LEU 113 10.280 10.445 -14.862 843 HD11 LEU 113 HD11 LEU 113 11.559 10.500 -12.101 844 HD12 LEU 113 HD12 LEU 113 10.191 11.480 -12.660 845 HD13 LEU 113 HD13 LEU 113 10.013 9.719 -12.514 846 HD21 LEU 113 HD21 LEU 113 12.478 11.402 -15.570 847 HD22 LEU 113 HD22 LEU 113 11.571 12.458 -14.468 848 HD23 LEU 113 HD23 LEU 113 12.941 11.518 -13.850 849 H ALA 114 H ALA 114 14.690 7.125 -15.029 850 HA ALA 114 HA ALA 114 13.823 4.727 -13.643 851 HB1 ALA 114 HB1 ALA 114 16.211 5.277 -15.449 852 HB2 ALA 114 HB2 ALA 114 15.709 3.671 -14.874 853 HB3 ALA 114 HB3 ALA 114 14.635 4.600 -15.937 854 H ALA 115 H ALA 115 16.222 7.237 -13.072 855 HA ALA 115 HA ALA 115 17.624 5.637 -11.051 856 HB1 ALA 115 HB1 ALA 115 18.975 7.669 -10.778 857 HB2 ALA 115 HB2 ALA 115 18.848 7.219 -12.493 858 HB3 ALA 115 HB3 ALA 115 17.872 8.562 -11.852 859 H LEU 116 H LEU 116 14.874 7.781 -11.220 860 HA LEU 116 HA LEU 116 14.980 8.384 -8.339 861 HB2 LEU 116 HB2 LEU 116 14.334 9.997 -10.215 862 HB3 LEU 116 HB3 LEU 116 12.816 9.107 -10.335 863 HG LEU 116 HG LEU 116 13.875 10.579 -7.881 864 HD11 LEU 116 HD11 LEU 116 11.522 11.156 -9.732 865 HD12 LEU 116 HD12 LEU 116 12.037 12.138 -8.343 866 HD13 LEU 116 HD13 LEU 116 13.079 12.009 -9.777 867 HD21 LEU 116 HD21 LEU 116 12.500 8.751 -7.070 868 HD22 LEU 116 HD22 LEU 116 11.553 10.242 -6.994 869 HD23 LEU 116 HD23 LEU 116 11.258 9.081 -8.310 870 H LEU 117 H LEU 117 12.659 6.860 -10.632 871 HA LEU 117 HA LEU 117 10.866 5.981 -8.603 872 HB2 LEU 117 HB2 LEU 117 11.146 5.087 -11.491 873 HB3 LEU 117 HB3 LEU 117 9.732 4.869 -10.453 874 HG LEU 117 HG LEU 117 10.870 7.564 -11.331 875 HD11 LEU 117 HD11 LEU 117 8.393 6.011 -12.183 876 HD12 LEU 117 HD12 LEU 117 8.788 7.682 -12.674 877 HD13 LEU 117 HD13 LEU 117 9.822 6.329 -13.179 878 HD21 LEU 117 HD21 LEU 117 8.778 8.479 -10.395 879 HD22 LEU 117 HD22 LEU 117 8.344 6.859 -9.791 880 HD23 LEU 117 HD23 LEU 117 9.764 7.713 -9.138 881 H VAL 118 H VAL 118 13.902 4.742 -9.216 882 HA VAL 118 HA VAL 118 13.094 2.087 -8.146 883 HB VAL 118 HB VAL 118 15.124 2.511 -10.373 884 HG11 VAL 118 HG11 VAL 118 15.711 0.662 -8.857 885 HG12 VAL 118 HG12 VAL 118 14.076 -0.013 -9.022 886 HG13 VAL 118 HG13 VAL 118 15.167 0.037 -10.425 887 HG21 VAL 118 HG21 VAL 118 12.826 2.755 -11.224 888 HG22 VAL 118 HG22 VAL 118 13.520 1.209 -11.749 889 HG23 VAL 118 HG23 VAL 118 12.349 1.248 -10.409 Start of MODEL 9 1 H1 MET 1 H1 NME 1 4.173 6.849 -0.692 2 H2 MET 1 H2 NME 1 3.308 7.453 0.574 3 H3 MET 1 H3 NME 1 2.607 6.400 -0.484 4 HA MET 1 HA NME 1 4.831 5.786 1.328 5 HB2 MET 1 HB2 NME 1 2.599 6.122 2.420 6 HB3 MET 1 HB3 NME 1 1.953 4.791 1.445 7 HG2 MET 1 HG2 NME 1 4.331 4.561 3.328 8 HG3 MET 1 HG3 NME 1 2.673 4.198 3.793 9 HE1 MET 1 HE1 NME 1 3.394 1.879 4.709 10 HE2 MET 1 HE2 NME 1 4.337 0.689 3.783 11 HE3 MET 1 HE3 NME 1 5.072 2.244 4.241 12 H SER 2 H SER 2 6.089 4.221 0.620 13 HA SER 2 HA SER 2 6.990 2.641 -0.706 14 HB2 SER 2 HB2 SER 2 5.327 1.264 0.501 15 HB3 SER 2 HB3 SER 2 4.195 1.486 -0.853 16 HG SER 2 HG SER 2 5.427 -0.438 -1.027 17 H ALA 3 H ALA 3 6.952 1.559 -2.917 18 HA ALA 3 HA ALA 3 7.220 1.914 -5.131 19 HB1 ALA 3 HB1 ALA 3 5.216 2.437 -6.407 20 HB2 ALA 3 HB2 ALA 3 4.817 1.363 -5.055 21 HB3 ALA 3 HB3 ALA 3 4.425 3.093 -4.957 22 H LEU 4 H LEU 4 6.664 3.738 -6.980 23 HA LEU 4 HA LEU 4 7.503 6.393 -5.988 24 HB2 LEU 4 HB2 LEU 4 8.922 4.670 -8.059 25 HB3 LEU 4 HB3 LEU 4 9.175 6.419 -7.932 26 HG LEU 4 HG LEU 4 9.563 4.566 -5.547 27 HD11 LEU 4 HD11 LEU 4 11.697 5.677 -7.390 28 HD12 LEU 4 HD12 LEU 4 11.935 4.647 -5.961 29 HD13 LEU 4 HD13 LEU 4 11.146 3.969 -7.408 30 HD21 LEU 4 HD21 LEU 4 10.546 7.351 -6.290 31 HD22 LEU 4 HD22 LEU 4 9.231 7.005 -5.127 32 HD23 LEU 4 HD23 LEU 4 10.899 6.508 -4.756 33 H THR 5 H THR 5 4.940 5.300 -6.960 34 HA THR 5 HA THR 5 4.584 6.221 -9.677 35 HB THR 5 HB THR 5 2.066 6.005 -8.703 36 HG1 THR 5 HG1 THR 5 2.085 4.339 -7.178 37 HG21 THR 5 HG21 THR 5 3.930 3.724 -9.461 38 HG22 THR 5 HG22 THR 5 2.150 3.659 -9.468 39 HG23 THR 5 HG23 THR 5 2.998 4.763 -10.571 40 H GLN 6 H GLN 6 4.982 7.999 -6.824 41 HA GLN 6 HA GLN 6 3.197 10.127 -7.898 42 HB2 GLN 6 HB2 GLN 6 3.700 9.406 -4.978 43 HB3 GLN 6 HB3 GLN 6 2.703 10.732 -5.567 44 HG2 GLN 6 HG2 GLN 6 1.439 8.987 -6.979 45 HG3 GLN 6 HG3 GLN 6 2.307 7.741 -6.080 46 HE21 GLN 6 HE21 GLN 6 -0.945 7.919 -4.507 47 HE22 GLN 6 HE22 GLN 6 -0.136 7.331 -5.951 48 H ILE 7 H ILE 7 4.140 11.893 -8.484 49 HA ILE 7 HA ILE 7 6.824 12.549 -7.369 50 HB ILE 7 HB ILE 7 5.892 13.143 -10.187 51 HG12 ILE 7 HG12 ILE 7 5.823 10.721 -10.026 52 HG13 ILE 7 HG13 ILE 7 7.214 11.235 -10.981 53 HG21 ILE 7 HG21 ILE 7 8.631 13.011 -8.859 54 HG22 ILE 7 HG22 ILE 7 8.334 13.331 -10.586 55 HG23 ILE 7 HG23 ILE 7 7.761 14.477 -9.361 56 HD11 ILE 7 HD11 ILE 7 7.332 10.425 -8.048 57 HD12 ILE 7 HD12 ILE 7 7.740 9.374 -9.410 58 HD13 ILE 7 HD13 ILE 7 8.719 10.824 -9.097 59 H LEU 8 H LEU 8 7.135 14.618 -6.680 60 HA LEU 8 HA LEU 8 4.969 16.599 -7.081 61 HB2 LEU 8 HB2 LEU 8 6.287 16.014 -4.851 62 HB3 LEU 8 HB3 LEU 8 7.489 17.117 -5.519 63 HG LEU 8 HG LEU 8 4.614 17.676 -4.711 64 HD11 LEU 8 HD11 LEU 8 6.366 17.681 -2.956 65 HD12 LEU 8 HD12 LEU 8 7.279 18.897 -3.881 66 HD13 LEU 8 HD13 LEU 8 5.687 19.306 -3.213 67 HD21 LEU 8 HD21 LEU 8 4.887 18.973 -6.739 68 HD22 LEU 8 HD22 LEU 8 5.030 20.055 -5.346 69 HD23 LEU 8 HD23 LEU 8 6.498 19.539 -6.208 70 H ILE 9 H ILE 9 5.205 18.358 -8.413 71 HA ILE 9 HA ILE 9 7.678 18.505 -10.057 72 HB ILE 9 HB ILE 9 4.876 19.610 -10.483 73 HG12 ILE 9 HG12 ILE 9 6.283 17.249 -11.812 74 HG13 ILE 9 HG13 ILE 9 5.035 17.123 -10.555 75 HG21 ILE 9 HG21 ILE 9 7.263 19.496 -12.376 76 HG22 ILE 9 HG22 ILE 9 5.638 20.112 -12.765 77 HG23 ILE 9 HG23 ILE 9 6.631 20.964 -11.581 78 HD11 ILE 9 HD11 ILE 9 4.670 18.297 -13.339 79 HD12 ILE 9 HD12 ILE 9 3.970 16.801 -12.685 80 HD13 ILE 9 HD13 ILE 9 3.455 18.375 -12.039 81 H VAL 10 H VAL 10 9.070 20.180 -9.742 82 HA VAL 10 HA VAL 10 8.015 22.664 -8.474 83 HB VAL 10 HB VAL 10 10.684 21.355 -7.833 84 HG11 VAL 10 HG11 VAL 10 9.188 23.701 -6.586 85 HG12 VAL 10 HG12 VAL 10 10.730 23.034 -6.017 86 HG13 VAL 10 HG13 VAL 10 10.648 23.809 -7.608 87 HG21 VAL 10 HG21 VAL 10 9.720 20.885 -5.601 88 HG22 VAL 10 HG22 VAL 10 8.128 21.403 -6.186 89 HG23 VAL 10 HG23 VAL 10 8.913 19.966 -6.887 90 H GLU 11 H GLU 11 8.326 24.318 -9.836 91 HA GLU 11 HA GLU 11 10.851 24.495 -11.385 92 HB2 GLU 11 HB2 GLU 11 8.043 24.630 -12.528 93 HB3 GLU 11 HB3 GLU 11 9.476 25.220 -13.380 94 HG2 GLU 11 HG2 GLU 11 9.058 22.345 -12.458 95 HG3 GLU 11 HG3 GLU 11 8.810 22.948 -14.099 96 H ASP 12 H ASP 12 11.201 26.684 -12.272 97 HA ASP 12 HA ASP 12 10.103 28.721 -10.437 98 HB2 ASP 12 HB2 ASP 12 12.572 28.390 -10.660 99 HB3 ASP 12 HB3 ASP 12 12.452 28.855 -12.363 100 H GLU 13 H GLU 13 9.232 27.503 -13.390 101 HA GLU 13 HA GLU 13 7.897 30.034 -14.086 102 HB2 GLU 13 HB2 GLU 13 10.026 30.013 -15.364 103 HB3 GLU 13 HB3 GLU 13 9.563 28.461 -16.083 104 HG2 GLU 13 HG2 GLU 13 7.588 29.503 -17.113 105 HG3 GLU 13 HG3 GLU 13 7.951 31.036 -16.306 106 HA PRO 14 HA PRO 14 4.606 27.095 -14.445 107 HB2 PRO 14 HB2 PRO 14 3.414 29.165 -16.274 108 HB3 PRO 14 HB3 PRO 14 2.661 28.332 -14.870 109 HG2 PRO 14 HG2 PRO 14 3.530 30.884 -14.628 110 HG3 PRO 14 HG3 PRO 14 3.892 29.692 -13.328 111 HD2 PRO 14 HD2 PRO 14 5.694 30.607 -15.591 112 HD3 PRO 14 HD3 PRO 14 6.056 30.445 -13.840 113 H LEU 15 H LEU 15 6.200 28.448 -17.310 114 HA LEU 15 HA LEU 15 4.801 26.791 -19.217 115 HB2 LEU 15 HB2 LEU 15 5.876 28.949 -19.714 116 HB3 LEU 15 HB3 LEU 15 7.471 28.252 -19.406 117 HG LEU 15 HG LEU 15 5.612 27.064 -21.493 118 HD11 LEU 15 HD11 LEU 15 7.577 29.362 -21.838 119 HD12 LEU 15 HD12 LEU 15 6.712 28.529 -23.153 120 HD13 LEU 15 HD13 LEU 15 5.807 29.479 -21.956 121 HD21 LEU 15 HD21 LEU 15 8.653 27.186 -21.194 122 HD22 LEU 15 HD22 LEU 15 7.643 25.736 -20.985 123 HD23 LEU 15 HD23 LEU 15 7.788 26.482 -22.580 124 H ILE 16 H ILE 16 7.871 26.522 -17.384 125 HA ILE 16 HA ILE 16 8.601 24.010 -18.650 126 HB ILE 16 HB ILE 16 9.581 25.260 -16.052 127 HG12 ILE 16 HG12 ILE 16 9.875 26.850 -17.892 128 HG13 ILE 16 HG13 ILE 16 11.427 26.194 -17.375 129 HG21 ILE 16 HG21 ILE 16 10.790 23.169 -17.913 130 HG22 ILE 16 HG22 ILE 16 11.636 23.913 -16.540 131 HG23 ILE 16 HG23 ILE 16 10.207 22.904 -16.256 132 HD11 ILE 16 HD11 ILE 16 11.445 24.650 -19.314 133 HD12 ILE 16 HD12 ILE 16 9.854 25.272 -19.825 134 HD13 ILE 16 HD13 ILE 16 11.268 26.339 -19.833 135 H ALA 17 H ALA 17 6.692 25.033 -15.847 136 HA ALA 17 HA ALA 17 6.605 22.459 -14.575 137 HB1 ALA 17 HB1 ALA 17 4.723 23.424 -13.340 138 HB2 ALA 17 HB2 ALA 17 6.047 24.604 -13.448 139 HB3 ALA 17 HB3 ALA 17 4.618 24.769 -14.497 140 H MET 18 H MET 18 4.786 23.975 -17.232 141 HA MET 18 HA MET 18 2.724 21.936 -17.272 142 HB2 MET 18 HB2 MET 18 2.391 24.246 -18.100 143 HB3 MET 18 HB3 MET 18 3.593 23.962 -19.378 144 HG2 MET 18 HG2 MET 18 2.188 22.161 -20.305 145 HG3 MET 18 HG3 MET 18 1.030 22.376 -18.986 146 HE1 MET 18 HE1 MET 18 2.945 25.173 -21.094 147 HE2 MET 18 HE2 MET 18 2.606 23.851 -22.235 148 HE3 MET 18 HE3 MET 18 1.774 25.419 -22.405 149 H MET 19 H MET 19 5.944 22.359 -18.677 150 HA MET 19 HA MET 19 5.685 20.238 -20.629 151 HB2 MET 19 HB2 MET 19 7.340 22.108 -20.760 152 HB3 MET 19 HB3 MET 19 8.144 21.457 -19.319 153 HG2 MET 19 HG2 MET 19 8.519 19.309 -20.558 154 HG3 MET 19 HG3 MET 19 7.783 20.041 -21.989 155 HE1 MET 19 HE1 MET 19 10.261 21.666 -19.319 156 HE2 MET 19 HE2 MET 19 10.709 19.953 -19.483 157 HE3 MET 19 HE3 MET 19 11.816 21.227 -20.055 158 H LEU 20 H LEU 20 6.553 20.446 -17.181 159 HA LEU 20 HA LEU 20 7.623 17.778 -16.996 160 HB2 LEU 20 HB2 LEU 20 6.887 20.029 -15.210 161 HB3 LEU 20 HB3 LEU 20 6.606 18.439 -14.492 162 HG LEU 20 HG LEU 20 8.865 19.399 -13.996 163 HD11 LEU 20 HD11 LEU 20 8.805 16.794 -15.567 164 HD12 LEU 20 HD12 LEU 20 10.055 17.297 -14.393 165 HD13 LEU 20 HD13 LEU 20 8.393 17.004 -13.851 166 HD21 LEU 20 HD21 LEU 20 9.272 20.475 -16.186 167 HD22 LEU 20 HD22 LEU 20 10.588 19.390 -15.703 168 HD23 LEU 20 HD23 LEU 20 9.418 18.871 -16.939 169 H GLU 21 H GLU 21 4.339 19.195 -16.690 170 HA GLU 21 HA GLU 21 3.161 16.691 -15.831 171 HB2 GLU 21 HB2 GLU 21 1.956 19.207 -17.048 172 HB3 GLU 21 HB3 GLU 21 1.021 17.841 -16.413 173 HG2 GLU 21 HG2 GLU 21 2.110 18.151 -14.190 174 HG3 GLU 21 HG3 GLU 21 2.967 19.558 -14.824 175 H ASP 22 H ASP 22 4.165 18.002 -18.933 176 HA ASP 22 HA ASP 22 2.321 16.439 -20.503 177 HB2 ASP 22 HB2 ASP 22 3.413 18.511 -21.293 178 HB3 ASP 22 HB3 ASP 22 4.980 17.694 -21.260 179 H PHE 23 H PHE 23 5.770 15.930 -19.452 180 HA PHE 23 HA PHE 23 5.878 13.400 -20.869 181 HB2 PHE 23 HB2 PHE 23 7.664 14.736 -18.814 182 HB3 PHE 23 HB3 PHE 23 7.982 13.126 -19.467 183 HD1 PHE 23 HD1 PHE 23 8.160 12.840 -22.003 184 HD2 PHE 23 HD2 PHE 23 8.388 16.664 -20.039 185 HE1 PHE 23 HE1 PHE 23 9.267 13.803 -24.004 186 HE2 PHE 23 HE2 PHE 23 9.457 17.627 -22.051 187 HZ PHE 23 HZ PHE 23 9.920 16.199 -24.023 188 H LEU 24 H LEU 24 4.652 14.395 -17.736 189 HA LEU 24 HA LEU 24 4.794 11.663 -16.684 190 HB2 LEU 24 HB2 LEU 24 3.537 14.237 -15.681 191 HB3 LEU 24 HB3 LEU 24 3.453 12.703 -14.800 192 HG LEU 24 HG LEU 24 6.073 14.016 -15.639 193 HD11 LEU 24 HD11 LEU 24 4.856 15.432 -14.036 194 HD12 LEU 24 HD12 LEU 24 4.643 14.034 -12.951 195 HD13 LEU 24 HD13 LEU 24 6.274 14.678 -13.275 196 HD21 LEU 24 HD21 LEU 24 5.432 11.770 -13.682 197 HD22 LEU 24 HD22 LEU 24 6.252 11.584 -15.255 198 HD23 LEU 24 HD23 LEU 24 7.038 12.483 -13.946 199 H GLU 25 H GLU 25 2.559 13.489 -18.672 200 HA GLU 25 HA GLU 25 0.372 11.593 -18.130 201 HB2 GLU 25 HB2 GLU 25 0.743 13.926 -20.028 202 HB3 GLU 25 HB3 GLU 25 -0.643 12.822 -20.140 203 HG2 GLU 25 HG2 GLU 25 -1.215 13.276 -17.779 204 HG3 GLU 25 HG3 GLU 25 0.121 14.426 -17.666 205 H VAL 26 H VAL 26 3.113 11.907 -20.316 206 HA VAL 26 HA VAL 26 2.114 9.830 -22.128 207 HB VAL 26 HB VAL 26 4.800 11.217 -21.813 208 HG11 VAL 26 HG11 VAL 26 3.874 9.258 -23.957 209 HG12 VAL 26 HG12 VAL 26 5.340 10.258 -24.041 210 HG13 VAL 26 HG13 VAL 26 5.203 9.003 -22.797 211 HG21 VAL 26 HG21 VAL 26 2.909 12.619 -22.657 212 HG22 VAL 26 HG22 VAL 26 4.136 12.337 -23.908 213 HG23 VAL 26 HG23 VAL 26 2.616 11.420 -23.936 214 H LEU 27 H LEU 27 3.797 10.022 -19.101 215 HA LEU 27 HA LEU 27 4.765 7.248 -19.310 216 HB2 LEU 27 HB2 LEU 27 6.204 9.062 -18.420 217 HB3 LEU 27 HB3 LEU 27 5.059 9.327 -17.104 218 HG LEU 27 HG LEU 27 5.524 7.088 -16.196 219 HD11 LEU 27 HD11 LEU 27 5.967 5.858 -18.290 220 HD12 LEU 27 HD12 LEU 27 7.430 6.834 -18.573 221 HD13 LEU 27 HD13 LEU 27 7.352 5.717 -17.193 222 HD21 LEU 27 HD21 LEU 27 6.961 8.981 -15.547 223 HD22 LEU 27 HD22 LEU 27 7.870 7.453 -15.570 224 HD23 LEU 27 HD23 LEU 27 8.054 8.619 -16.902 225 H ASP 28 H ASP 28 1.843 8.620 -18.692 226 HA ASP 28 HA ASP 28 0.014 8.120 -17.465 227 HB2 ASP 28 HB2 ASP 28 0.265 6.093 -18.874 228 HB3 ASP 28 HB3 ASP 28 1.139 5.299 -17.554 229 H LYS 29 H LYS 29 1.988 9.248 -15.961 230 HA LYS 29 HA LYS 29 2.436 7.697 -13.525 231 HB2 LYS 29 HB2 LYS 29 3.683 9.847 -14.951 232 HB3 LYS 29 HB3 LYS 29 3.235 10.482 -13.368 233 HG2 LYS 29 HG2 LYS 29 4.804 7.912 -13.831 234 HG3 LYS 29 HG3 LYS 29 5.528 9.492 -13.461 235 HD2 LYS 29 HD2 LYS 29 4.149 9.567 -11.356 236 HD3 LYS 29 HD3 LYS 29 3.661 7.886 -11.680 237 HE2 LYS 29 HE2 LYS 29 6.530 8.878 -11.393 238 HE3 LYS 29 HE3 LYS 29 5.590 8.101 -10.111 239 HZ1 LYS 29 HZ1 LYS 29 5.398 6.160 -11.581 240 HZ2 LYS 29 HZ2 LYS 29 6.371 6.888 -12.685 241 HZ3 LYS 29 HZ3 LYS 29 6.957 6.504 -11.198 242 H THR 30 H THR 30 2.012 8.750 -11.364 243 HA THR 30 HA THR 30 -0.604 10.181 -11.391 244 HB THR 30 HB THR 30 0.437 8.328 -9.201 245 HG1 THR 30 HG1 THR 30 0.028 7.183 -11.104 246 HG21 THR 30 HG21 THR 30 -1.925 8.383 -8.502 247 HG22 THR 30 HG22 THR 30 -1.227 10.017 -8.488 248 HG23 THR 30 HG23 THR 30 -2.292 9.528 -9.823 249 HA PRO 31 HA PRO 31 2.630 12.980 -9.560 250 HB2 PRO 31 HB2 PRO 31 1.690 15.311 -10.662 251 HB3 PRO 31 HB3 PRO 31 2.803 14.197 -11.519 252 HG2 PRO 31 HG2 PRO 31 -0.225 14.324 -11.730 253 HG3 PRO 31 HG3 PRO 31 0.973 14.299 -13.069 254 HD2 PRO 31 HD2 PRO 31 -0.272 12.038 -12.269 255 HD3 PRO 31 HD3 PRO 31 1.478 12.010 -12.674 256 H VAL 32 H VAL 32 2.279 14.666 -7.920 257 HA VAL 32 HA VAL 32 -0.446 14.375 -6.727 258 HB VAL 32 HB VAL 32 0.643 14.416 -4.532 259 HG11 VAL 32 HG11 VAL 32 0.201 12.274 -5.732 260 HG12 VAL 32 HG12 VAL 32 1.839 12.346 -6.415 261 HG13 VAL 32 HG13 VAL 32 1.620 12.184 -4.656 262 HG21 VAL 32 HG21 VAL 32 3.080 14.119 -4.345 263 HG22 VAL 32 HG22 VAL 32 3.257 14.318 -6.093 264 HG23 VAL 32 HG23 VAL 32 2.698 15.689 -5.096 265 H GLY 33 H GLY 33 1.703 16.682 -8.025 266 HA2 GLY 33 HA2 GLY 33 -0.002 18.808 -7.693 267 HA3 GLY 33 HA3 GLY 33 0.990 18.852 -6.230 268 H THR 34 H THR 34 1.076 20.980 -7.803 269 HA THR 34 HA THR 34 3.843 20.911 -8.861 270 HB THR 34 HB THR 34 1.491 22.291 -10.213 271 HG1 THR 34 HG1 THR 34 1.866 20.759 -11.834 272 HG21 THR 34 HG21 THR 34 4.431 22.030 -10.983 273 HG22 THR 34 HG22 THR 34 3.152 22.742 -12.004 274 HG23 THR 34 HG23 THR 34 3.607 23.522 -10.480 275 H VAL 35 H VAL 35 5.018 22.744 -8.315 276 HA VAL 35 HA VAL 35 3.600 24.941 -6.918 277 HB VAL 35 HB VAL 35 5.310 24.837 -5.100 278 HG11 VAL 35 HG11 VAL 35 4.268 22.964 -3.889 279 HG12 VAL 35 HG12 VAL 35 3.039 23.888 -4.774 280 HG13 VAL 35 HG13 VAL 35 3.610 22.323 -5.401 281 HG21 VAL 35 HG21 VAL 35 5.913 22.083 -6.267 282 HG22 VAL 35 HG22 VAL 35 7.010 23.483 -6.317 283 HG23 VAL 35 HG23 VAL 35 6.561 22.746 -4.763 284 H ASP 36 H ASP 36 4.919 26.835 -6.593 285 HA ASP 36 HA ASP 36 6.934 27.138 -8.767 286 HB2 ASP 36 HB2 ASP 36 4.694 28.115 -9.248 287 HB3 ASP 36 HB3 ASP 36 4.838 29.116 -7.799 288 H THR 37 H THR 37 6.573 27.101 -5.443 289 HA THR 37 HA THR 37 8.949 28.842 -5.077 290 HB THR 37 HB THR 37 7.969 29.818 -3.058 291 HG1 THR 37 HG1 THR 37 5.743 29.462 -2.672 292 HG21 THR 37 HG21 THR 37 6.088 30.171 -5.429 293 HG22 THR 37 HG22 THR 37 6.325 31.306 -4.084 294 HG23 THR 37 HG23 THR 37 7.650 31.000 -5.226 295 H VAL 38 H VAL 38 10.070 28.422 -3.017 296 HA VAL 38 HA VAL 38 10.223 25.573 -2.542 297 HB VAL 38 HB VAL 38 11.989 26.194 -0.933 298 HG11 VAL 38 HG11 VAL 38 12.156 27.690 -3.585 299 HG12 VAL 38 HG12 VAL 38 13.525 27.179 -2.574 300 HG13 VAL 38 HG13 VAL 38 12.491 25.963 -3.348 301 HG21 VAL 38 HG21 VAL 38 11.051 28.303 -0.065 302 HG22 VAL 38 HG22 VAL 38 12.684 28.541 -0.708 303 HG23 VAL 38 HG23 VAL 38 11.270 29.072 -1.652 304 H ALA 39 H ALA 39 8.586 28.283 -0.989 305 HA ALA 39 HA ALA 39 8.137 26.863 1.511 306 HB1 ALA 39 HB1 ALA 39 6.846 29.354 0.322 307 HB2 ALA 39 HB2 ALA 39 6.660 28.786 1.996 308 HB3 ALA 39 HB3 ALA 39 8.256 29.312 1.408 309 H GLY 40 H GLY 40 6.504 27.187 -1.623 310 HA2 GLY 40 HA2 GLY 40 3.990 26.046 -0.722 311 HA3 GLY 40 HA3 GLY 40 4.533 26.292 -2.398 312 H ALA 41 H ALA 41 7.108 24.807 -1.906 313 HA ALA 41 HA ALA 41 6.134 22.200 -2.629 314 HB1 ALA 41 HB1 ALA 41 8.519 21.612 -2.668 315 HB2 ALA 41 HB2 ALA 41 8.274 23.189 -3.449 316 HB3 ALA 41 HB3 ALA 41 8.924 23.108 -1.797 317 H LEU 42 H LEU 42 7.589 23.589 0.362 318 HA LEU 42 HA LEU 42 7.506 21.056 1.765 319 HB2 LEU 42 HB2 LEU 42 7.711 23.917 2.775 320 HB3 LEU 42 HB3 LEU 42 7.988 22.462 3.749 321 HG LEU 42 HG LEU 42 9.602 23.269 1.286 322 HD11 LEU 42 HD11 LEU 42 9.991 24.738 3.228 323 HD12 LEU 42 HD12 LEU 42 10.290 23.310 4.253 324 HD13 LEU 42 HD13 LEU 42 11.403 23.705 2.920 325 HD21 LEU 42 HD21 LEU 42 9.557 20.826 1.560 326 HD22 LEU 42 HD22 LEU 42 11.143 21.476 2.012 327 HD23 LEU 42 HD23 LEU 42 9.985 20.996 3.278 328 H ALA 43 H ALA 43 5.181 23.635 1.138 329 HA ALA 43 HA ALA 43 3.397 22.908 3.286 330 HB1 ALA 43 HB1 ALA 43 2.888 24.386 0.673 331 HB2 ALA 43 HB2 ALA 43 1.793 24.335 2.074 332 HB3 ALA 43 HB3 ALA 43 3.377 25.130 2.214 333 H ARG 44 H ARG 44 4.021 21.649 0.042 334 HA ARG 44 HA ARG 44 1.519 20.118 0.020 335 HB2 ARG 44 HB2 ARG 44 3.922 20.230 -1.836 336 HB3 ARG 44 HB3 ARG 44 2.572 19.106 -2.061 337 HG2 ARG 44 HG2 ARG 44 2.303 22.140 -1.961 338 HG3 ARG 44 HG3 ARG 44 2.328 21.148 -3.432 339 HD2 ARG 44 HD2 ARG 44 0.317 19.920 -2.609 340 HD3 ARG 44 HD3 ARG 44 0.254 21.009 -1.207 341 HE ARG 44 HE ARG 44 0.327 22.589 -3.559 342 HH11 ARG 44 HH11 ARG 44 -1.861 20.353 -1.883 343 HH12 ARG 44 HH12 ARG 44 -3.294 21.103 -2.534 344 HH21 ARG 44 HH21 ARG 44 -1.566 23.528 -4.389 345 HH22 ARG 44 HH22 ARG 44 -3.133 22.895 -3.939 346 H VAL 45 H VAL 45 4.805 19.661 1.169 347 HA VAL 45 HA VAL 45 4.614 16.776 1.322 348 HB VAL 45 HB VAL 45 6.319 18.803 2.825 349 HG11 VAL 45 HG11 VAL 45 6.544 15.766 2.695 350 HG12 VAL 45 HG12 VAL 45 7.757 16.862 3.398 351 HG13 VAL 45 HG13 VAL 45 6.156 16.726 4.145 352 HG21 VAL 45 HG21 VAL 45 6.714 18.642 0.355 353 HG22 VAL 45 HG22 VAL 45 8.094 18.038 1.299 354 HG23 VAL 45 HG23 VAL 45 6.970 16.893 0.539 355 H GLU 46 H GLU 46 3.592 19.511 3.344 356 HA GLU 46 HA GLU 46 2.717 17.774 5.528 357 HB2 GLU 46 HB2 GLU 46 2.300 20.727 4.955 358 HB3 GLU 46 HB3 GLU 46 1.782 19.889 6.431 359 HG2 GLU 46 HG2 GLU 46 4.133 19.211 6.860 360 HG3 GLU 46 HG3 GLU 46 4.651 20.124 5.440 361 H ASP 47 H ASP 47 1.444 18.677 2.469 362 HA ASP 47 HA ASP 47 -1.362 18.632 3.335 363 HB2 ASP 47 HB2 ASP 47 -0.530 20.235 1.648 364 HB3 ASP 47 HB3 ASP 47 -0.105 18.888 0.580 365 H GLY 48 H GLY 48 0.995 16.304 2.365 366 HA2 GLY 48 HA2 GLY 48 -0.669 14.090 2.676 367 HA3 GLY 48 HA3 GLY 48 -0.737 14.483 0.953 368 H GLY 49 H GLY 49 0.235 12.066 1.541 369 HA2 GLY 49 HA2 GLY 49 3.101 12.030 1.953 370 HA3 GLY 49 HA3 GLY 49 2.090 10.671 1.453 371 H ILE 50 H ILE 50 4.720 11.467 0.446 372 HA ILE 50 HA ILE 50 4.088 11.640 -2.438 373 HB ILE 50 HB ILE 50 6.199 13.350 -1.058 374 HG12 ILE 50 HG12 ILE 50 3.485 14.098 -2.218 375 HG13 ILE 50 HG13 ILE 50 3.996 14.223 -0.525 376 HG21 ILE 50 HG21 ILE 50 6.800 12.615 -3.347 377 HG22 ILE 50 HG22 ILE 50 5.255 13.247 -3.958 378 HG23 ILE 50 HG23 ILE 50 6.490 14.346 -3.298 379 HD11 ILE 50 HD11 ILE 50 4.069 16.415 -1.519 380 HD12 ILE 50 HD12 ILE 50 5.742 15.882 -1.221 381 HD13 ILE 50 HD13 ILE 50 5.055 15.837 -2.869 382 H ASP 51 H ASP 51 5.755 10.586 -3.741 383 HA ASP 51 HA ASP 51 7.421 8.756 -2.067 384 HB2 ASP 51 HB2 ASP 51 6.296 8.396 -4.863 385 HB3 ASP 51 HB3 ASP 51 7.332 7.244 -4.011 386 H ALA 52 H ALA 52 7.494 11.126 -4.684 387 HA ALA 52 HA ALA 52 10.369 11.416 -4.339 388 HB1 ALA 52 HB1 ALA 52 10.378 9.539 -5.902 389 HB2 ALA 52 HB2 ALA 52 9.217 10.367 -6.957 390 HB3 ALA 52 HB3 ALA 52 10.865 11.013 -6.764 391 H ALA 53 H ALA 53 11.184 13.200 -5.896 392 HA ALA 53 HA ALA 53 9.055 14.921 -6.969 393 HB1 ALA 53 HB1 ALA 53 10.968 15.868 -4.799 394 HB2 ALA 53 HB2 ALA 53 9.805 16.883 -5.674 395 HB3 ALA 53 HB3 ALA 53 9.216 15.601 -4.591 396 H ILE 54 H ILE 54 9.894 16.693 -8.267 397 HA ILE 54 HA ILE 54 12.737 16.316 -9.106 398 HB ILE 54 HB ILE 54 10.335 17.098 -10.804 399 HG12 ILE 54 HG12 ILE 54 12.123 14.627 -10.841 400 HG13 ILE 54 HG13 ILE 54 10.468 14.681 -10.217 401 HG21 ILE 54 HG21 ILE 54 12.427 18.304 -11.434 402 HG22 ILE 54 HG22 ILE 54 13.271 16.743 -11.562 403 HG23 ILE 54 HG23 ILE 54 11.944 17.141 -12.674 404 HD11 ILE 54 HD11 ILE 54 11.306 15.167 -13.106 405 HD12 ILE 54 HD12 ILE 54 10.428 13.765 -12.463 406 HD13 ILE 54 HD13 ILE 54 9.655 15.366 -12.477 407 H LEU 55 H LEU 55 13.999 18.086 -8.895 408 HA LEU 55 HA LEU 55 12.638 20.586 -8.008 409 HB2 LEU 55 HB2 LEU 55 15.208 19.209 -7.171 410 HB3 LEU 55 HB3 LEU 55 14.944 20.927 -6.872 411 HG LEU 55 HG LEU 55 14.459 19.531 -4.911 412 HD11 LEU 55 HD11 LEU 55 13.372 21.722 -5.200 413 HD12 LEU 55 HD12 LEU 55 12.014 20.942 -6.041 414 HD13 LEU 55 HD13 LEU 55 12.322 20.581 -4.330 415 HD21 LEU 55 HD21 LEU 55 13.496 17.560 -6.156 416 HD22 LEU 55 HD22 LEU 55 12.542 18.109 -4.759 417 HD23 LEU 55 HD23 LEU 55 12.014 18.525 -6.397 418 H ASP 56 H ASP 56 12.939 22.370 -9.145 419 HA ASP 56 HA ASP 56 14.948 22.522 -11.260 420 HB2 ASP 56 HB2 ASP 56 12.711 23.505 -11.495 421 HB3 ASP 56 HB3 ASP 56 13.000 24.544 -10.087 422 H VAL 57 H VAL 57 16.886 23.669 -11.156 423 HA VAL 57 HA VAL 57 17.819 24.263 -8.435 424 HB VAL 57 HB VAL 57 19.324 24.379 -11.068 425 HG11 VAL 57 HG11 VAL 57 20.488 25.565 -9.271 426 HG12 VAL 57 HG12 VAL 57 20.241 24.192 -8.166 427 HG13 VAL 57 HG13 VAL 57 21.302 24.023 -9.578 428 HG21 VAL 57 HG21 VAL 57 18.420 22.111 -10.710 429 HG22 VAL 57 HG22 VAL 57 20.168 22.131 -10.408 430 HG23 VAL 57 HG23 VAL 57 19.032 22.117 -9.039 431 H ASN 58 H ASN 58 16.465 25.978 -11.103 432 HA ASN 58 HA ASN 58 17.778 28.507 -10.525 433 HB2 ASN 58 HB2 ASN 58 16.878 27.795 -12.777 434 HB3 ASN 58 HB3 ASN 58 15.245 27.964 -12.121 435 HD21 ASN 58 HD21 ASN 58 15.651 31.174 -13.729 436 HD22 ASN 58 HD22 ASN 58 15.168 29.517 -14.034 437 H LEU 59 H LEU 59 16.918 30.286 -9.424 438 HA LEU 59 HA LEU 59 14.307 30.089 -8.130 439 HB2 LEU 59 HB2 LEU 59 15.874 28.764 -6.674 440 HB3 LEU 59 HB3 LEU 59 16.875 30.208 -6.484 441 HG LEU 59 HG LEU 59 15.015 31.369 -5.356 442 HD11 LEU 59 HD11 LEU 59 13.527 28.730 -5.720 443 HD12 LEU 59 HD12 LEU 59 12.986 30.086 -4.709 444 HD13 LEU 59 HD13 LEU 59 13.083 30.292 -6.462 445 HD21 LEU 59 HD21 LEU 59 15.548 28.588 -4.238 446 HD22 LEU 59 HD22 LEU 59 16.601 30.013 -4.045 447 HD23 LEU 59 HD23 LEU 59 14.981 29.996 -3.317 448 H ARG 60 H ARG 60 13.751 32.139 -7.019 449 HA ARG 60 HA ARG 60 14.636 34.416 -8.503 450 HB2 ARG 60 HB2 ARG 60 12.364 34.108 -7.543 451 HB3 ARG 60 HB3 ARG 60 13.045 34.273 -5.913 452 HG2 ARG 60 HG2 ARG 60 13.771 36.569 -6.425 453 HG3 ARG 60 HG3 ARG 60 13.221 36.385 -8.107 454 HD2 ARG 60 HD2 ARG 60 11.576 37.633 -6.821 455 HD3 ARG 60 HD3 ARG 60 10.902 36.062 -7.292 456 HE ARG 60 HE ARG 60 12.134 35.910 -4.694 457 HH11 ARG 60 HH11 ARG 60 9.244 37.096 -6.345 458 HH12 ARG 60 HH12 ARG 60 8.244 37.000 -4.912 459 HH21 ARG 60 HH21 ARG 60 10.809 35.808 -2.834 460 HH22 ARG 60 HH22 ARG 60 9.128 36.271 -2.934 461 H GLY 61 H GLY 61 15.758 36.296 -7.750 462 HA2 GLY 61 HA2 GLY 61 17.267 37.489 -6.458 463 HA3 GLY 61 HA3 GLY 61 17.168 36.252 -5.200 464 H GLY 62 H GLY 62 19.546 36.707 -5.130 465 HA2 GLY 62 HA2 GLY 62 21.193 35.794 -7.341 466 HA3 GLY 62 HA3 GLY 62 21.740 36.356 -5.750 467 H GLU 63 H GLU 63 19.366 33.983 -5.259 468 HA GLU 63 HA GLU 63 21.346 32.110 -4.312 469 HB2 GLU 63 HB2 GLU 63 19.167 32.566 -3.201 470 HB3 GLU 63 HB3 GLU 63 18.333 31.822 -4.580 471 HG2 GLU 63 HG2 GLU 63 18.562 30.261 -2.681 472 HG3 GLU 63 HG3 GLU 63 19.427 29.674 -4.103 473 H LYS 64 H LYS 64 21.585 29.886 -4.978 474 HA LYS 64 HA LYS 64 20.870 29.382 -7.817 475 HB2 LYS 64 HB2 LYS 64 23.628 29.064 -6.576 476 HB3 LYS 64 HB3 LYS 64 23.169 28.562 -8.217 477 HG2 LYS 64 HG2 LYS 64 22.599 30.906 -8.778 478 HG3 LYS 64 HG3 LYS 64 23.106 31.413 -7.144 479 HD2 LYS 64 HD2 LYS 64 25.381 30.540 -7.578 480 HD3 LYS 64 HD3 LYS 64 24.875 30.054 -9.216 481 HE2 LYS 64 HE2 LYS 64 24.337 32.407 -9.746 482 HE3 LYS 64 HE3 LYS 64 24.832 32.893 -8.115 483 HZ1 LYS 64 HZ1 LYS 64 26.572 31.656 -10.143 484 HZ2 LYS 64 HZ2 LYS 64 26.587 33.238 -9.702 485 HZ3 LYS 64 HZ3 LYS 64 27.041 32.079 -8.628 486 H SER 65 H SER 65 20.128 28.331 -4.936 487 HA SER 65 HA SER 65 19.995 25.518 -5.781 488 HB2 SER 65 HB2 SER 65 20.955 24.696 -3.676 489 HB3 SER 65 HB3 SER 65 22.147 25.676 -4.550 490 HG SER 65 HG SER 65 22.016 26.218 -2.328 491 H THR 66 H THR 66 18.786 24.262 -3.905 492 HA THR 66 HA THR 66 16.796 26.029 -2.611 493 HB THR 66 HB THR 66 15.701 25.380 -4.639 494 HG1 THR 66 HG1 THR 66 13.995 24.223 -3.732 495 HG21 THR 66 HG21 THR 66 16.360 22.486 -3.931 496 HG22 THR 66 HG22 THR 66 15.355 23.037 -5.290 497 HG23 THR 66 HG23 THR 66 17.083 23.423 -5.265 498 HA PRO 67 HA PRO 67 17.703 23.214 0.694 499 HB2 PRO 67 HB2 PRO 67 16.006 24.142 2.578 500 HB3 PRO 67 HB3 PRO 67 17.339 25.175 1.953 501 HG2 PRO 67 HG2 PRO 67 14.435 25.147 1.050 502 HG3 PRO 67 HG3 PRO 67 15.415 26.565 1.555 503 HD2 PRO 67 HD2 PRO 67 15.116 25.837 -1.075 504 HD3 PRO 67 HD3 PRO 67 16.643 26.538 -0.457 505 H VAL 68 H VAL 68 14.783 23.261 -1.130 506 HA VAL 68 HA VAL 68 13.166 21.553 0.506 507 HB VAL 68 HB VAL 68 13.128 22.068 -2.492 508 HG11 VAL 68 HG11 VAL 68 10.986 20.959 -0.620 509 HG12 VAL 68 HG12 VAL 68 10.743 21.391 -2.326 510 HG13 VAL 68 HG13 VAL 68 11.822 20.051 -1.908 511 HG21 VAL 68 HG21 VAL 68 12.882 24.127 -1.147 512 HG22 VAL 68 HG22 VAL 68 11.349 23.689 -1.924 513 HG23 VAL 68 HG23 VAL 68 11.588 23.358 -0.195 514 H ALA 69 H ALA 69 15.778 20.939 -1.819 515 HA ALA 69 HA ALA 69 15.094 18.223 -2.379 516 HB1 ALA 69 HB1 ALA 69 17.466 18.090 -3.132 517 HB2 ALA 69 HB2 ALA 69 16.641 19.541 -3.756 518 HB3 ALA 69 HB3 ALA 69 17.775 19.673 -2.391 519 H GLU 70 H GLU 70 17.164 19.742 0.158 520 HA GLU 70 HA GLU 70 17.826 17.091 1.214 521 HB2 GLU 70 HB2 GLU 70 18.579 19.897 2.092 522 HB3 GLU 70 HB3 GLU 70 19.116 18.403 2.897 523 HG2 GLU 70 HG2 GLU 70 20.015 17.597 0.687 524 HG3 GLU 70 HG3 GLU 70 19.614 19.158 -0.020 525 H ALA 71 H ALA 71 15.332 19.481 1.724 526 HA ALA 71 HA ALA 71 14.617 18.579 4.378 527 HB1 ALA 71 HB1 ALA 71 12.939 19.858 2.180 528 HB2 ALA 71 HB2 ALA 71 12.490 19.730 3.894 529 HB3 ALA 71 HB3 ALA 71 13.874 20.740 3.419 530 H LEU 72 H LEU 72 13.878 17.590 1.031 531 HA LEU 72 HA LEU 72 11.986 15.533 1.817 532 HB2 LEU 72 HB2 LEU 72 13.598 16.072 -0.710 533 HB3 LEU 72 HB3 LEU 72 12.460 14.730 -0.567 534 HG LEU 72 HG LEU 72 11.697 17.661 -0.174 535 HD11 LEU 72 HD11 LEU 72 11.288 15.768 -2.529 536 HD12 LEU 72 HD12 LEU 72 10.629 17.413 -2.396 537 HD13 LEU 72 HD13 LEU 72 12.388 17.169 -2.499 538 HD21 LEU 72 HD21 LEU 72 9.392 16.786 -0.413 539 HD22 LEU 72 HD22 LEU 72 10.029 15.128 -0.458 540 HD23 LEU 72 HD23 LEU 72 10.193 16.111 1.018 541 H ALA 73 H ALA 73 15.516 15.773 1.520 542 HA ALA 73 HA ALA 73 15.976 12.933 1.569 543 HB1 ALA 73 HB1 ALA 73 17.643 14.624 0.788 544 HB2 ALA 73 HB2 ALA 73 17.788 15.225 2.456 545 HB3 ALA 73 HB3 ALA 73 18.293 13.567 2.060 546 H ALA 74 H ALA 74 15.181 15.340 4.013 547 HA ALA 74 HA ALA 74 15.940 13.638 6.261 548 HB1 ALA 74 HB1 ALA 74 14.227 16.154 6.111 549 HB2 ALA 74 HB2 ALA 74 14.856 15.396 7.591 550 HB3 ALA 74 HB3 ALA 74 15.979 16.104 6.412 551 H ARG 75 H ARG 75 13.201 14.053 4.137 552 HA ARG 75 HA ARG 75 11.454 12.381 5.839 553 HB2 ARG 75 HB2 ARG 75 10.995 13.698 3.129 554 HB3 ARG 75 HB3 ARG 75 9.783 12.795 4.042 555 HG2 ARG 75 HG2 ARG 75 11.169 15.347 4.975 556 HG3 ARG 75 HG3 ARG 75 9.518 15.229 4.344 557 HD2 ARG 75 HD2 ARG 75 10.569 13.908 6.880 558 HD3 ARG 75 HD3 ARG 75 9.534 15.341 6.801 559 HE ARG 75 HE ARG 75 8.189 13.334 5.375 560 HH11 ARG 75 HH11 ARG 75 9.311 13.873 8.688 561 HH12 ARG 75 HH12 ARG 75 8.040 12.903 9.397 562 HH21 ARG 75 HH21 ARG 75 6.562 12.056 6.334 563 HH22 ARG 75 HH22 ARG 75 6.493 11.877 8.071 564 H ASP 76 H ASP 76 14.039 11.663 4.102 565 HA ASP 76 HA ASP 76 14.806 9.930 2.933 566 HB2 ASP 76 HB2 ASP 76 13.942 8.780 4.956 567 HB3 ASP 76 HB3 ASP 76 12.463 8.381 4.065 568 H ILE 77 H ILE 77 12.951 11.739 1.567 569 HA ILE 77 HA ILE 77 11.827 9.953 -0.514 570 HB ILE 77 HB ILE 77 11.443 12.900 0.115 571 HG12 ILE 77 HG12 ILE 77 9.540 10.517 0.213 572 HG13 ILE 77 HG13 ILE 77 10.317 11.268 1.618 573 HG21 ILE 77 HG21 ILE 77 10.181 11.226 -2.097 574 HG22 ILE 77 HG22 ILE 77 9.791 12.919 -1.725 575 HG23 ILE 77 HG23 ILE 77 11.397 12.505 -2.338 576 HD11 ILE 77 HD11 ILE 77 8.052 12.103 1.426 577 HD12 ILE 77 HD12 ILE 77 9.189 13.423 1.071 578 HD13 ILE 77 HD13 ILE 77 8.316 12.604 -0.251 579 HA PRO 78 HA PRO 78 15.471 10.977 -2.910 580 HB2 PRO 78 HB2 PRO 78 14.843 9.689 -5.221 581 HB3 PRO 78 HB3 PRO 78 15.232 8.796 -3.712 582 HG2 PRO 78 HG2 PRO 78 12.479 9.523 -4.774 583 HG3 PRO 78 HG3 PRO 78 13.070 7.907 -4.259 584 HD2 PRO 78 HD2 PRO 78 11.669 9.533 -2.574 585 HD3 PRO 78 HD3 PRO 78 13.038 8.539 -1.976 586 H PHE 79 H PHE 79 16.062 12.288 -4.736 587 HA PHE 79 HA PHE 79 13.907 13.707 -6.157 588 HB2 PHE 79 HB2 PHE 79 14.752 15.896 -5.519 589 HB3 PHE 79 HB3 PHE 79 14.212 14.998 -4.098 590 HD1 PHE 79 HD1 PHE 79 15.715 14.504 -2.309 591 HD2 PHE 79 HD2 PHE 79 17.231 16.107 -6.002 592 HE1 PHE 79 HE1 PHE 79 17.912 14.946 -1.225 593 HE2 PHE 79 HE2 PHE 79 19.433 16.492 -4.926 594 HZ PHE 79 HZ PHE 79 19.756 15.926 -2.525 595 H VAL 80 H VAL 80 14.813 15.222 -7.797 596 HA VAL 80 HA VAL 80 17.532 14.526 -8.762 597 HB VAL 80 HB VAL 80 14.947 14.359 -10.366 598 HG11 VAL 80 HG11 VAL 80 17.845 14.192 -11.277 599 HG12 VAL 80 HG12 VAL 80 16.436 13.721 -12.258 600 HG13 VAL 80 HG13 VAL 80 16.636 15.407 -11.760 601 HG21 VAL 80 HG21 VAL 80 17.085 12.295 -9.678 602 HG22 VAL 80 HG22 VAL 80 15.424 12.336 -9.051 603 HG23 VAL 80 HG23 VAL 80 15.707 12.029 -10.776 604 H PHE 81 H PHE 81 18.535 16.217 -9.894 605 HA PHE 81 HA PHE 81 17.186 18.843 -9.658 606 HB2 PHE 81 HB2 PHE 81 20.054 18.069 -10.271 607 HB3 PHE 81 HB3 PHE 81 19.453 19.721 -10.203 608 HD1 PHE 81 HD1 PHE 81 21.619 17.988 -8.545 609 HD2 PHE 81 HD2 PHE 81 17.706 19.589 -7.746 610 HE1 PHE 81 HE1 PHE 81 22.145 18.078 -6.124 611 HE2 PHE 81 HE2 PHE 81 18.243 19.689 -5.333 612 HZ PHE 81 HZ PHE 81 20.462 18.930 -4.516 613 H ALA 82 H ALA 82 17.006 20.285 -11.419 614 HA ALA 82 HA ALA 82 17.799 19.280 -14.087 615 HB1 ALA 82 HB1 ALA 82 14.994 20.222 -13.377 616 HB2 ALA 82 HB2 ALA 82 15.592 19.869 -15.016 617 HB3 ALA 82 HB3 ALA 82 15.464 18.561 -13.814 618 H THR 83 H THR 83 18.994 20.830 -14.993 619 HA THR 83 HA THR 83 18.092 23.533 -15.266 620 HB THR 83 HB THR 83 18.823 23.604 -12.890 621 HG1 THR 83 HG1 THR 83 20.182 25.400 -13.206 622 HG21 THR 83 HG21 THR 83 21.598 23.016 -14.022 623 HG22 THR 83 HG22 THR 83 21.206 23.435 -12.342 624 HG23 THR 83 HG23 THR 83 20.641 21.895 -13.022 625 H GLY 84 H GLY 84 19.681 24.851 -16.506 626 HA2 GLY 84 HA2 GLY 84 21.450 23.183 -18.184 627 HA3 GLY 84 HA3 GLY 84 21.031 24.888 -18.442 628 H GLY 85 H GLY 85 23.728 23.513 -18.333 629 HA2 GLY 85 HA2 GLY 85 25.340 25.426 -17.232 630 HA3 GLY 85 HA3 GLY 85 24.920 24.427 -15.833 631 H SER 86 H SER 86 27.115 23.850 -15.603 632 HA SER 86 HA SER 86 27.993 21.659 -17.403 633 HB2 SER 86 HB2 SER 86 29.127 23.759 -18.088 634 HB3 SER 86 HB3 SER 86 29.731 23.956 -16.428 635 HG SER 86 HG SER 86 31.245 22.925 -17.814 636 H ASP 87 H ASP 87 29.889 20.463 -16.324 637 HA ASP 87 HA ASP 87 28.979 19.569 -13.759 638 HB2 ASP 87 HB2 ASP 87 30.075 18.163 -15.509 639 HB3 ASP 87 HB3 ASP 87 31.590 19.028 -15.233 640 H ASP 88 H ASP 88 30.941 22.209 -14.660 641 HA ASP 88 HA ASP 88 32.334 22.278 -12.040 642 HB2 ASP 88 HB2 ASP 88 33.641 22.540 -14.146 643 HB3 ASP 88 HB3 ASP 88 32.702 23.987 -14.529 644 H SER 89 H SER 89 29.440 23.314 -13.375 645 HA SER 89 HA SER 89 29.403 25.919 -11.988 646 HB2 SER 89 HB2 SER 89 27.291 24.554 -13.698 647 HB3 SER 89 HB3 SER 89 27.249 26.225 -13.089 648 HG SER 89 HG SER 89 28.033 26.171 -15.205 649 H VAL 90 H VAL 90 29.079 22.813 -11.013 650 HA VAL 90 HA VAL 90 27.203 23.543 -8.838 651 HB VAL 90 HB VAL 90 26.255 21.252 -8.956 652 HG11 VAL 90 HG11 VAL 90 25.724 22.940 -11.429 653 HG12 VAL 90 HG12 VAL 90 24.635 21.726 -10.708 654 HG13 VAL 90 HG13 VAL 90 25.012 23.201 -9.812 655 HG21 VAL 90 HG21 VAL 90 27.998 20.183 -10.354 656 HG22 VAL 90 HG22 VAL 90 26.390 19.997 -11.071 657 HG23 VAL 90 HG23 VAL 90 27.516 21.201 -11.731 658 H ASP 91 H ASP 91 27.474 22.313 -6.912 659 HA ASP 91 HA ASP 91 30.243 21.400 -6.541 660 HB2 ASP 91 HB2 ASP 91 29.701 21.488 -4.158 661 HB3 ASP 91 HB3 ASP 91 29.346 23.011 -4.987 662 H SER 92 H SER 92 30.188 19.571 -4.610 663 HA SER 92 HA SER 92 29.895 17.209 -6.131 664 HB2 SER 92 HB2 SER 92 30.557 16.086 -4.023 665 HB3 SER 92 HB3 SER 92 31.566 17.505 -4.377 666 HG SER 92 HG SER 92 30.851 17.446 -2.199 667 H ARG 93 H ARG 93 27.431 18.843 -4.236 668 HA ARG 93 HA ARG 93 25.998 16.421 -3.537 669 HB2 ARG 93 HB2 ARG 93 24.990 19.279 -3.769 670 HB3 ARG 93 HB3 ARG 93 24.187 17.949 -2.930 671 HG2 ARG 93 HG2 ARG 93 26.878 19.180 -2.180 672 HG3 ARG 93 HG3 ARG 93 25.344 19.435 -1.349 673 HD2 ARG 93 HD2 ARG 93 26.846 16.795 -1.602 674 HD3 ARG 93 HD3 ARG 93 26.757 17.801 -0.156 675 HE ARG 93 HE ARG 93 24.800 15.903 -1.072 676 HH11 ARG 93 HH11 ARG 93 25.094 19.016 0.617 677 HH12 ARG 93 HH12 ARG 93 23.573 18.799 1.460 678 HH21 ARG 93 HH21 ARG 93 22.854 15.668 0.120 679 HH22 ARG 93 HH22 ARG 93 22.362 16.946 1.215 680 H PHE 94 H PHE 94 26.059 18.627 -6.302 681 HA PHE 94 HA PHE 94 23.715 17.411 -7.567 682 HB2 PHE 94 HB2 PHE 94 25.871 19.243 -8.667 683 HB3 PHE 94 HB3 PHE 94 24.344 18.859 -9.459 684 HD1 PHE 94 HD1 PHE 94 25.787 20.485 -6.421 685 HD2 PHE 94 HD2 PHE 94 22.429 20.174 -9.085 686 HE1 PHE 94 HE1 PHE 94 24.707 22.429 -5.295 687 HE2 PHE 94 HE2 PHE 94 21.354 22.105 -7.957 688 HZ PHE 94 HZ PHE 94 22.495 23.230 -6.064 689 H ARG 95 H ARG 95 27.179 16.911 -7.412 690 HA ARG 95 HA ARG 95 27.172 15.174 -9.780 691 HB2 ARG 95 HB2 ARG 95 29.405 15.871 -7.842 692 HB3 ARG 95 HB3 ARG 95 29.565 14.971 -9.369 693 HG2 ARG 95 HG2 ARG 95 28.531 16.948 -10.560 694 HG3 ARG 95 HG3 ARG 95 28.634 17.861 -9.043 695 HD2 ARG 95 HD2 ARG 95 30.984 16.585 -10.496 696 HD3 ARG 95 HD3 ARG 95 30.518 18.285 -10.614 697 HE ARG 95 HE ARG 95 31.293 17.020 -8.009 698 HH11 ARG 95 HH11 ARG 95 31.628 19.638 -10.384 699 HH12 ARG 95 HH12 ARG 95 32.702 20.563 -9.363 700 HH21 ARG 95 HH21 ARG 95 32.700 18.262 -6.722 701 HH22 ARG 95 HH22 ARG 95 33.303 19.791 -7.314 702 H ASP 96 H ASP 96 26.275 14.851 -6.561 703 HA ASP 96 HA ASP 96 26.887 11.938 -6.540 704 HB2 ASP 96 HB2 ASP 96 27.610 13.270 -4.592 705 HB3 ASP 96 HB3 ASP 96 25.945 13.796 -4.329 706 H ARG 97 H ARG 97 24.346 14.246 -7.063 707 HA ARG 97 HA ARG 97 22.296 12.091 -6.886 708 HB2 ARG 97 HB2 ARG 97 22.056 15.123 -6.890 709 HB3 ARG 97 HB3 ARG 97 20.680 14.018 -6.936 710 HG2 ARG 97 HG2 ARG 97 22.761 14.066 -4.708 711 HG3 ARG 97 HG3 ARG 97 21.197 14.893 -4.647 712 HD2 ARG 97 HD2 ARG 97 20.050 12.714 -4.991 713 HD3 ARG 97 HD3 ARG 97 21.627 11.894 -4.940 714 HE ARG 97 HE ARG 97 21.599 13.332 -2.602 715 HH11 ARG 97 HH11 ARG 97 19.350 11.028 -4.065 716 HH12 ARG 97 HH12 ARG 97 18.771 10.436 -2.527 717 HH21 ARG 97 HH21 ARG 97 20.806 12.556 -0.610 718 HH22 ARG 97 HH22 ARG 97 19.583 11.311 -0.576 719 HA PRO 98 HA PRO 98 21.866 12.099 -11.279 720 HB2 PRO 98 HB2 PRO 98 18.897 12.267 -10.933 721 HB3 PRO 98 HB3 PRO 98 19.862 11.035 -11.808 722 HG2 PRO 98 HG2 PRO 98 18.760 10.451 -9.397 723 HG3 PRO 98 HG3 PRO 98 20.428 9.913 -9.793 724 HD2 PRO 98 HD2 PRO 98 19.579 12.350 -8.196 725 HD3 PRO 98 HD3 PRO 98 20.816 11.111 -7.793 726 H VAL 99 H VAL 99 21.365 13.483 -13.081 727 HA VAL 99 HA VAL 99 20.159 16.113 -12.462 728 HB VAL 99 HB VAL 99 22.032 17.270 -13.587 729 HG11 VAL 99 HG11 VAL 99 22.903 15.661 -11.157 730 HG12 VAL 99 HG12 VAL 99 23.591 17.199 -11.709 731 HG13 VAL 99 HG13 VAL 99 21.916 17.141 -11.118 732 HG21 VAL 99 HG21 VAL 99 22.955 15.370 -14.874 733 HG22 VAL 99 HG22 VAL 99 24.195 16.136 -13.859 734 HG23 VAL 99 HG23 VAL 99 23.472 14.593 -13.356 735 H LEU 100 H LEU 100 19.499 17.306 -14.291 736 HA LEU 100 HA LEU 100 19.615 15.987 -16.919 737 HB2 LEU 100 HB2 LEU 100 17.584 15.121 -15.743 738 HB3 LEU 100 HB3 LEU 100 17.023 16.777 -15.516 739 HG LEU 100 HG LEU 100 16.865 17.060 -17.982 740 HD11 LEU 100 HD11 LEU 100 18.641 15.469 -18.682 741 HD12 LEU 100 HD12 LEU 100 17.671 14.116 -18.073 742 HD13 LEU 100 HD13 LEU 100 17.086 15.089 -19.447 743 HD21 LEU 100 HD21 LEU 100 14.943 16.202 -16.668 744 HD22 LEU 100 HD22 LEU 100 14.962 15.536 -18.318 745 HD23 LEU 100 HD23 LEU 100 15.504 14.537 -16.951 746 H GLN 101 H GLN 101 19.059 17.511 -18.665 747 HA GLN 101 HA GLN 101 19.925 20.207 -18.104 748 HB2 GLN 101 HB2 GLN 101 18.719 18.942 -20.598 749 HB3 GLN 101 HB3 GLN 101 19.344 20.592 -20.502 750 HG2 GLN 101 HG2 GLN 101 21.123 19.372 -21.410 751 HG3 GLN 101 HG3 GLN 101 21.560 19.625 -19.722 752 HE21 GLN 101 HE21 GLN 101 22.480 16.167 -20.044 753 HE22 GLN 101 HE22 GLN 101 23.079 17.805 -20.196 754 H LYS 102 H LYS 102 18.622 22.158 -18.795 755 HA LYS 102 HA LYS 102 16.212 22.219 -17.275 756 HB2 LYS 102 HB2 LYS 102 17.720 24.146 -17.565 757 HB3 LYS 102 HB3 LYS 102 17.298 24.231 -19.280 758 HG2 LYS 102 HG2 LYS 102 16.051 25.888 -17.998 759 HG3 LYS 102 HG3 LYS 102 14.934 24.689 -18.669 760 HD2 LYS 102 HD2 LYS 102 14.761 23.565 -16.501 761 HD3 LYS 102 HD3 LYS 102 16.039 24.599 -15.823 762 HE2 LYS 102 HE2 LYS 102 14.629 26.591 -16.191 763 HE3 LYS 102 HE3 LYS 102 13.346 25.562 -16.859 764 HZ1 LYS 102 HZ1 LYS 102 14.421 25.333 -14.122 765 HZ2 LYS 102 HZ2 LYS 102 13.037 26.117 -14.513 766 HZ3 LYS 102 HZ3 LYS 102 13.147 24.503 -14.733 767 HA PRO 103 HA PRO 103 13.785 21.991 -21.369 768 HB2 PRO 103 HB2 PRO 103 14.990 21.378 -23.720 769 HB3 PRO 103 HB3 PRO 103 14.945 23.065 -23.100 770 HG2 PRO 103 HG2 PRO 103 17.188 21.040 -22.810 771 HG3 PRO 103 HG3 PRO 103 17.301 22.729 -23.405 772 HD2 PRO 103 HD2 PRO 103 17.841 22.084 -20.821 773 HD3 PRO 103 HD3 PRO 103 16.996 23.609 -21.240 774 H PHE 104 H PHE 104 12.745 20.045 -21.952 775 HA PHE 104 HA PHE 104 14.209 17.585 -21.106 776 HB2 PHE 104 HB2 PHE 104 11.307 18.405 -21.049 777 HB3 PHE 104 HB3 PHE 104 11.783 16.716 -21.018 778 HD1 PHE 104 HD1 PHE 104 14.128 18.927 -19.289 779 HD2 PHE 104 HD2 PHE 104 10.477 16.670 -18.861 780 HE1 PHE 104 HE1 PHE 104 14.386 18.964 -16.843 781 HE2 PHE 104 HE2 PHE 104 10.789 16.658 -16.416 782 HZ PHE 104 HZ PHE 104 12.725 17.827 -15.392 783 H THR 105 H THR 105 13.949 15.654 -22.232 784 HA THR 105 HA THR 105 12.789 15.733 -24.950 785 HB THR 105 HB THR 105 14.803 14.669 -25.891 786 HG1 THR 105 HG1 THR 105 16.038 15.347 -23.441 787 HG21 THR 105 HG21 THR 105 15.504 17.304 -24.532 788 HG22 THR 105 HG22 THR 105 16.273 16.613 -25.975 789 HG23 THR 105 HG23 THR 105 14.574 17.143 -26.040 790 H MET 106 H MET 106 12.548 13.476 -25.818 791 HA MET 106 HA MET 106 11.482 11.794 -23.760 792 HB2 MET 106 HB2 MET 106 12.083 11.268 -26.698 793 HB3 MET 106 HB3 MET 106 11.161 10.177 -25.640 794 HG2 MET 106 HG2 MET 106 9.552 11.980 -25.170 795 HG3 MET 106 HG3 MET 106 10.443 13.068 -26.244 796 HE1 MET 106 HE1 MET 106 8.204 13.670 -27.438 797 HE2 MET 106 HE2 MET 106 7.074 12.455 -28.100 798 HE3 MET 106 HE3 MET 106 7.347 12.561 -26.346 799 H ASP 107 H ASP 107 14.692 12.043 -25.189 800 HA ASP 107 HA ASP 107 15.480 9.380 -24.254 801 HB2 ASP 107 HB2 ASP 107 16.393 10.367 -26.324 802 HB3 ASP 107 HB3 ASP 107 17.104 11.690 -25.380 803 H GLY 108 H GLY 108 15.833 12.792 -23.204 804 HA2 GLY 108 HA2 GLY 108 17.738 12.131 -21.110 805 HA3 GLY 108 HA3 GLY 108 16.918 13.684 -21.382 806 H VAL 109 H VAL 109 14.194 12.603 -21.307 807 HA VAL 109 HA VAL 109 13.858 12.645 -18.419 808 HB VAL 109 HB VAL 109 11.922 12.336 -20.742 809 HG11 VAL 109 HG11 VAL 109 10.910 11.307 -18.754 810 HG12 VAL 109 HG12 VAL 109 11.348 12.727 -17.769 811 HG13 VAL 109 HG13 VAL 109 10.154 12.875 -19.077 812 HG21 VAL 109 HG21 VAL 109 12.525 14.645 -18.848 813 HG22 VAL 109 HG22 VAL 109 13.071 14.543 -20.533 814 HG23 VAL 109 HG23 VAL 109 11.334 14.657 -20.174 815 H ALA 110 H ALA 110 13.925 10.140 -20.936 816 HA ALA 110 HA ALA 110 12.704 8.127 -19.272 817 HB1 ALA 110 HB1 ALA 110 14.481 7.902 -21.741 818 HB2 ALA 110 HB2 ALA 110 13.535 6.582 -21.024 819 HB3 ALA 110 HB3 ALA 110 12.701 7.985 -21.721 820 H LYS 111 H LYS 111 16.000 9.374 -19.686 821 HA LYS 111 HA LYS 111 17.184 7.116 -18.230 822 HB2 LYS 111 HB2 LYS 111 18.287 9.720 -19.346 823 HB3 LYS 111 HB3 LYS 111 19.279 8.510 -18.504 824 HG2 LYS 111 HG2 LYS 111 18.776 6.824 -20.159 825 HG3 LYS 111 HG3 LYS 111 17.574 7.867 -20.941 826 HD2 LYS 111 HD2 LYS 111 19.342 9.487 -21.542 827 HD3 LYS 111 HD3 LYS 111 20.562 8.450 -20.772 828 HE2 LYS 111 HE2 LYS 111 20.068 6.636 -22.325 829 HE3 LYS 111 HE3 LYS 111 18.722 7.551 -23.025 830 HZ1 LYS 111 HZ1 LYS 111 20.259 9.164 -23.819 831 HZ2 LYS 111 HZ2 LYS 111 21.541 8.399 -23.122 832 HZ3 LYS 111 HZ3 LYS 111 20.717 7.689 -24.359 833 H ALA 112 H ALA 112 16.109 10.447 -17.553 834 HA ALA 112 HA ALA 112 17.445 10.569 -14.982 835 HB1 ALA 112 HB1 ALA 112 15.155 12.196 -16.161 836 HB2 ALA 112 HB2 ALA 112 16.080 12.612 -14.700 837 HB3 ALA 112 HB3 ALA 112 16.886 12.580 -16.283 838 H LEU 113 H LEU 113 14.218 9.567 -16.151 839 HA LEU 113 HA LEU 113 13.255 9.206 -13.406 840 HB2 LEU 113 HB2 LEU 113 12.054 8.517 -16.113 841 HB3 LEU 113 HB3 LEU 113 11.235 8.297 -14.556 842 HG LEU 113 HG LEU 113 12.210 10.966 -15.663 843 HD11 LEU 113 HD11 LEU 113 9.408 9.828 -15.306 844 HD12 LEU 113 HD12 LEU 113 9.816 11.445 -15.930 845 HD13 LEU 113 HD13 LEU 113 10.257 10.002 -16.863 846 HD21 LEU 113 HD21 LEU 113 12.253 10.978 -13.206 847 HD22 LEU 113 HD22 LEU 113 10.879 11.918 -13.800 848 HD23 LEU 113 HD23 LEU 113 10.610 10.280 -13.163 849 H ALA 114 H ALA 114 14.942 7.287 -15.835 850 HA ALA 114 HA ALA 114 14.306 4.760 -14.554 851 HB1 ALA 114 HB1 ALA 114 16.567 5.577 -16.423 852 HB2 ALA 114 HB2 ALA 114 16.184 3.913 -15.946 853 HB3 ALA 114 HB3 ALA 114 15.013 4.846 -16.903 854 H ALA 115 H ALA 115 16.499 7.413 -13.907 855 HA ALA 115 HA ALA 115 18.166 5.808 -12.101 856 HB1 ALA 115 HB1 ALA 115 19.312 7.951 -11.714 857 HB2 ALA 115 HB2 ALA 115 19.138 7.622 -13.451 858 HB3 ALA 115 HB3 ALA 115 18.065 8.796 -12.658 859 H LEU 116 H LEU 116 15.268 7.810 -11.937 860 HA LEU 116 HA LEU 116 15.490 8.069 -9.015 861 HB2 LEU 116 HB2 LEU 116 14.665 9.840 -10.755 862 HB3 LEU 116 HB3 LEU 116 13.137 8.963 -10.689 863 HG LEU 116 HG LEU 116 14.603 10.341 -8.401 864 HD11 LEU 116 HD11 LEU 116 11.872 10.808 -9.674 865 HD12 LEU 116 HD12 LEU 116 12.599 11.767 -8.367 866 HD13 LEU 116 HD13 LEU 116 13.325 11.781 -9.985 867 HD21 LEU 116 HD21 LEU 116 13.586 8.352 -7.452 868 HD22 LEU 116 HD22 LEU 116 12.640 9.777 -7.005 869 HD23 LEU 116 HD23 LEU 116 12.049 8.694 -8.291 870 H LEU 117 H LEU 117 13.062 6.810 -11.348 871 HA LEU 117 HA LEU 117 11.400 5.652 -9.348 872 HB2 LEU 117 HB2 LEU 117 11.439 5.128 -12.342 873 HB3 LEU 117 HB3 LEU 117 10.096 4.852 -11.235 874 HG LEU 117 HG LEU 117 11.289 7.570 -11.951 875 HD11 LEU 117 HD11 LEU 117 8.629 6.240 -12.605 876 HD12 LEU 117 HD12 LEU 117 9.058 7.924 -12.984 877 HD13 LEU 117 HD13 LEU 117 9.941 6.578 -13.749 878 HD21 LEU 117 HD21 LEU 117 8.941 6.850 -10.163 879 HD22 LEU 117 HD22 LEU 117 10.483 7.568 -9.627 880 HD23 LEU 117 HD23 LEU 117 9.394 8.493 -10.675 881 H VAL 118 H VAL 118 14.388 4.538 -10.143 882 HA VAL 118 HA VAL 118 13.602 1.730 -9.565 883 HB VAL 118 HB VAL 118 15.659 2.546 -11.651 884 HG11 VAL 118 HG11 VAL 118 14.586 -0.163 -10.763 885 HG12 VAL 118 HG12 VAL 118 15.714 0.109 -12.114 886 HG13 VAL 118 HG13 VAL 118 16.222 0.468 -10.453 887 HG21 VAL 118 HG21 VAL 118 13.371 2.920 -12.494 888 HG22 VAL 118 HG22 VAL 118 14.093 1.488 -13.259 889 HG23 VAL 118 HG23 VAL 118 12.896 1.291 -11.960 Start of MODEL 10 1 H1 MET 1 H1 NME 1 10.975 -0.682 2.422 2 H2 MET 1 H2 NME 1 12.621 -0.667 2.336 3 H3 MET 1 H3 NME 1 11.750 -1.690 1.388 4 HA MET 1 HA NME 1 11.707 1.243 1.218 5 HB2 MET 1 HB2 NME 1 12.994 -0.832 -0.599 6 HB3 MET 1 HB3 NME 1 12.739 0.862 -1.035 7 HG2 MET 1 HG2 NME 1 14.987 0.633 -0.282 8 HG3 MET 1 HG3 NME 1 14.097 1.572 0.915 9 HE1 MET 1 HE1 NME 1 16.821 -0.246 3.041 10 HE2 MET 1 HE2 NME 1 16.978 0.384 1.386 11 HE3 MET 1 HE3 NME 1 16.076 1.308 2.606 12 H SER 2 H SER 2 10.587 2.021 -0.746 13 HA SER 2 HA SER 2 8.525 0.202 -1.828 14 HB2 SER 2 HB2 SER 2 7.897 2.845 -0.441 15 HB3 SER 2 HB3 SER 2 6.735 1.806 -1.296 16 HG SER 2 HG SER 2 7.183 0.173 0.229 17 H ALA 3 H ALA 3 7.337 1.228 -3.635 18 HA ALA 3 HA ALA 3 9.153 2.631 -5.405 19 HB1 ALA 3 HB1 ALA 3 6.228 1.884 -5.716 20 HB2 ALA 3 HB2 ALA 3 7.322 2.408 -7.014 21 HB3 ALA 3 HB3 ALA 3 7.617 0.867 -6.171 22 H LEU 4 H LEU 4 8.303 4.533 -6.708 23 HA LEU 4 HA LEU 4 6.835 6.464 -5.010 24 HB2 LEU 4 HB2 LEU 4 8.441 8.216 -5.763 25 HB3 LEU 4 HB3 LEU 4 9.100 7.054 -4.613 26 HG LEU 4 HG LEU 4 9.554 6.679 -7.600 27 HD11 LEU 4 HD11 LEU 4 10.205 8.990 -7.041 28 HD12 LEU 4 HD12 LEU 4 11.167 8.393 -5.664 29 HD13 LEU 4 HD13 LEU 4 11.640 7.979 -7.322 30 HD21 LEU 4 HD21 LEU 4 10.262 4.814 -6.148 31 HD22 LEU 4 HD22 LEU 4 11.675 5.674 -6.765 32 HD23 LEU 4 HD23 LEU 4 11.136 5.958 -5.095 33 H THR 5 H THR 5 5.040 5.845 -6.332 34 HA THR 5 HA THR 5 5.098 6.369 -9.189 35 HB THR 5 HB THR 5 2.473 6.198 -8.599 36 HG1 THR 5 HG1 THR 5 2.789 6.086 -6.371 37 HG21 THR 5 HG21 THR 5 4.446 3.888 -8.655 38 HG22 THR 5 HG22 THR 5 2.689 3.770 -8.957 39 HG23 THR 5 HG23 THR 5 3.710 4.704 -10.066 40 H GLN 6 H GLN 6 5.027 8.468 -6.547 41 HA GLN 6 HA GLN 6 3.469 10.452 -8.144 42 HB2 GLN 6 HB2 GLN 6 3.332 9.785 -5.187 43 HB3 GLN 6 HB3 GLN 6 2.708 11.288 -5.861 44 HG2 GLN 6 HG2 GLN 6 1.232 10.042 -7.399 45 HG3 GLN 6 HG3 GLN 6 1.996 8.515 -6.955 46 HE21 GLN 6 HE21 GLN 6 -0.977 8.092 -5.120 47 HE22 GLN 6 HE22 GLN 6 -0.137 7.762 -6.624 48 H ILE 7 H ILE 7 4.572 12.162 -8.688 49 HA ILE 7 HA ILE 7 6.972 12.905 -7.087 50 HB ILE 7 HB ILE 7 6.649 13.277 -10.074 51 HG12 ILE 7 HG12 ILE 7 6.487 10.878 -9.777 52 HG13 ILE 7 HG13 ILE 7 8.064 11.301 -10.437 53 HG21 ILE 7 HG21 ILE 7 9.047 13.230 -8.196 54 HG22 ILE 7 HG22 ILE 7 9.120 13.411 -9.966 55 HG23 ILE 7 HG23 ILE 7 8.334 14.659 -8.974 56 HD11 ILE 7 HD11 ILE 7 9.105 11.031 -8.232 57 HD12 ILE 7 HD12 ILE 7 7.513 10.680 -7.508 58 HD13 ILE 7 HD13 ILE 7 8.221 9.559 -8.684 59 H LEU 8 H LEU 8 7.062 14.987 -6.408 60 HA LEU 8 HA LEU 8 4.989 16.884 -7.280 61 HB2 LEU 8 HB2 LEU 8 6.001 16.398 -4.864 62 HB3 LEU 8 HB3 LEU 8 7.215 17.562 -5.378 63 HG LEU 8 HG LEU 8 4.214 17.983 -5.087 64 HD11 LEU 8 HD11 LEU 8 6.642 19.197 -3.704 65 HD12 LEU 8 HD12 LEU 8 4.947 19.596 -3.360 66 HD13 LEU 8 HD13 LEU 8 5.565 17.963 -3.020 67 HD21 LEU 8 HD21 LEU 8 4.707 20.404 -5.550 68 HD22 LEU 8 HD22 LEU 8 6.307 19.914 -6.156 69 HD23 LEU 8 HD23 LEU 8 4.808 19.354 -6.966 70 H ILE 9 H ILE 9 5.420 18.756 -8.500 71 HA ILE 9 HA ILE 9 8.137 18.895 -9.715 72 HB ILE 9 HB ILE 9 5.415 19.746 -10.755 73 HG12 ILE 9 HG12 ILE 9 7.307 17.568 -11.740 74 HG13 ILE 9 HG13 ILE 9 5.925 17.262 -10.673 75 HG21 ILE 9 HG21 ILE 9 8.146 19.845 -12.114 76 HG22 ILE 9 HG22 ILE 9 6.584 20.285 -12.854 77 HG23 ILE 9 HG23 ILE 9 7.227 21.260 -11.534 78 HD11 ILE 9 HD11 ILE 9 5.754 18.446 -13.475 79 HD12 ILE 9 HD12 ILE 9 5.285 16.810 -12.976 80 HD13 ILE 9 HD13 ILE 9 4.389 18.215 -12.355 81 H VAL 10 H VAL 10 9.322 20.721 -9.512 82 HA VAL 10 HA VAL 10 7.964 23.173 -8.483 83 HB VAL 10 HB VAL 10 10.725 22.192 -7.683 84 HG11 VAL 10 HG11 VAL 10 8.994 24.493 -6.687 85 HG12 VAL 10 HG12 VAL 10 10.579 24.014 -6.029 86 HG13 VAL 10 HG13 VAL 10 10.459 24.643 -7.684 87 HG21 VAL 10 HG21 VAL 10 9.705 21.836 -5.431 88 HG22 VAL 10 HG22 VAL 10 8.103 22.154 -6.129 89 HG23 VAL 10 HG23 VAL 10 9.044 20.736 -6.652 90 H GLU 11 H GLU 11 8.235 24.841 -9.844 91 HA GLU 11 HA GLU 11 10.562 24.955 -11.655 92 HB2 GLU 11 HB2 GLU 11 8.985 23.429 -12.748 93 HB3 GLU 11 HB3 GLU 11 7.671 24.591 -12.548 94 HG2 GLU 11 HG2 GLU 11 8.604 24.535 -14.848 95 HG3 GLU 11 HG3 GLU 11 8.695 26.125 -14.091 96 H ASP 12 H ASP 12 10.629 26.992 -12.878 97 HA ASP 12 HA ASP 12 9.235 29.191 -11.415 98 HB2 ASP 12 HB2 ASP 12 11.683 28.961 -11.042 99 HB3 ASP 12 HB3 ASP 12 11.946 29.164 -12.782 100 H GLU 13 H GLU 13 9.589 27.620 -14.452 101 HA GLU 13 HA GLU 13 8.428 29.983 -15.865 102 HB2 GLU 13 HB2 GLU 13 10.672 29.458 -16.652 103 HB3 GLU 13 HB3 GLU 13 10.229 27.760 -16.883 104 HG2 GLU 13 HG2 GLU 13 10.221 28.968 -19.016 105 HG3 GLU 13 HG3 GLU 13 8.600 28.386 -18.611 106 HA PRO 14 HA PRO 14 4.917 27.174 -15.682 107 HB2 PRO 14 HB2 PRO 14 3.866 29.318 -17.525 108 HB3 PRO 14 HB3 PRO 14 3.043 28.521 -16.145 109 HG2 PRO 14 HG2 PRO 14 4.079 30.989 -15.819 110 HG3 PRO 14 HG3 PRO 14 4.376 29.732 -14.564 111 HD2 PRO 14 HD2 PRO 14 6.217 30.614 -16.803 112 HD3 PRO 14 HD3 PRO 14 6.588 30.354 -15.068 113 H LEU 15 H LEU 15 6.527 28.332 -18.623 114 HA LEU 15 HA LEU 15 5.038 26.618 -20.413 115 HB2 LEU 15 HB2 LEU 15 6.195 28.686 -21.131 116 HB3 LEU 15 HB3 LEU 15 7.757 27.972 -20.711 117 HG LEU 15 HG LEU 15 7.421 26.207 -22.410 118 HD11 LEU 15 HD11 LEU 15 4.862 27.736 -23.048 119 HD12 LEU 15 HD12 LEU 15 5.564 26.448 -24.059 120 HD13 LEU 15 HD13 LEU 15 4.969 26.068 -22.437 121 HD21 LEU 15 HD21 LEU 15 8.556 28.318 -23.006 122 HD22 LEU 15 HD22 LEU 15 7.654 27.650 -24.387 123 HD23 LEU 15 HD23 LEU 15 6.998 29.028 -23.470 124 H ILE 16 H ILE 16 7.975 26.290 -18.427 125 HA ILE 16 HA ILE 16 8.655 23.695 -19.612 126 HB ILE 16 HB ILE 16 9.702 25.146 -17.142 127 HG12 ILE 16 HG12 ILE 16 10.143 26.424 -19.191 128 HG13 ILE 16 HG13 ILE 16 11.630 25.740 -18.523 129 HG21 ILE 16 HG21 ILE 16 10.155 22.763 -16.960 130 HG22 ILE 16 HG22 ILE 16 10.733 22.697 -18.635 131 HG23 ILE 16 HG23 ILE 16 11.653 23.589 -17.403 132 HD11 ILE 16 HD11 ILE 16 11.562 25.532 -20.979 133 HD12 ILE 16 HD12 ILE 16 11.576 23.930 -20.214 134 HD13 ILE 16 HD13 ILE 16 10.062 24.589 -20.876 135 H ALA 17 H ALA 17 6.771 24.971 -16.908 136 HA ALA 17 HA ALA 17 6.584 22.469 -15.481 137 HB1 ALA 17 HB1 ALA 17 4.777 23.620 -14.268 138 HB2 ALA 17 HB2 ALA 17 6.183 24.692 -14.449 139 HB3 ALA 17 HB3 ALA 17 4.756 24.903 -15.496 140 H MET 18 H MET 18 4.821 23.946 -18.202 141 HA MET 18 HA MET 18 2.641 22.031 -18.094 142 HB2 MET 18 HB2 MET 18 2.411 24.317 -19.042 143 HB3 MET 18 HB3 MET 18 3.586 23.907 -20.301 144 HG2 MET 18 HG2 MET 18 1.313 23.714 -21.158 145 HG3 MET 18 HG3 MET 18 2.099 22.132 -21.130 146 HE1 MET 18 HE1 MET 18 -0.965 22.498 -21.603 147 HE2 MET 18 HE2 MET 18 -0.172 20.906 -21.504 148 HE3 MET 18 HE3 MET 18 -1.642 21.230 -20.552 149 H MET 19 H MET 19 5.799 22.313 -19.732 150 HA MET 19 HA MET 19 5.348 20.009 -21.421 151 HB2 MET 19 HB2 MET 19 6.971 21.964 -21.800 152 HB3 MET 19 HB3 MET 19 8.017 21.198 -20.588 153 HG2 MET 19 HG2 MET 19 8.707 20.501 -22.812 154 HG3 MET 19 HG3 MET 19 8.005 19.113 -21.973 155 HE1 MET 19 HE1 MET 19 8.561 19.175 -25.068 156 HE2 MET 19 HE2 MET 19 7.778 17.789 -24.271 157 HE3 MET 19 HE3 MET 19 7.069 18.490 -25.742 158 H LEU 20 H LEU 20 6.378 20.554 -18.116 159 HA LEU 20 HA LEU 20 7.691 18.024 -17.707 160 HB2 LEU 20 HB2 LEU 20 7.136 20.416 -16.239 161 HB3 LEU 20 HB3 LEU 20 6.339 19.119 -15.359 162 HG LEU 20 HG LEU 20 8.589 19.458 -14.498 163 HD11 LEU 20 HD11 LEU 20 8.509 16.901 -16.150 164 HD12 LEU 20 HD12 LEU 20 9.512 17.213 -14.715 165 HD13 LEU 20 HD13 LEU 20 7.743 17.138 -14.563 166 HD21 LEU 20 HD21 LEU 20 9.526 20.496 -16.525 167 HD22 LEU 20 HD22 LEU 20 10.573 19.220 -15.874 168 HD23 LEU 20 HD23 LEU 20 9.573 18.907 -17.318 169 H GLU 21 H GLU 21 4.343 19.221 -17.411 170 HA GLU 21 HA GLU 21 3.319 16.740 -16.291 171 HB2 GLU 21 HB2 GLU 21 2.057 19.207 -17.538 172 HB3 GLU 21 HB3 GLU 21 1.099 17.851 -16.924 173 HG2 GLU 21 HG2 GLU 21 3.139 19.286 -15.186 174 HG3 GLU 21 HG3 GLU 21 1.468 19.841 -15.347 175 H ASP 22 H ASP 22 4.047 17.909 -19.534 176 HA ASP 22 HA ASP 22 2.227 16.144 -20.896 177 HB2 ASP 22 HB2 ASP 22 3.217 18.196 -21.889 178 HB3 ASP 22 HB3 ASP 22 4.813 17.430 -21.853 179 H PHE 23 H PHE 23 5.724 15.880 -19.965 180 HA PHE 23 HA PHE 23 5.931 13.239 -21.165 181 HB2 PHE 23 HB2 PHE 23 7.686 14.899 -19.341 182 HB3 PHE 23 HB3 PHE 23 8.077 13.230 -19.770 183 HD1 PHE 23 HD1 PHE 23 8.060 12.656 -22.334 184 HD2 PHE 23 HD2 PHE 23 8.497 16.632 -20.735 185 HE1 PHE 23 HE1 PHE 23 9.170 13.376 -24.422 186 HE2 PHE 23 HE2 PHE 23 9.606 17.345 -22.828 187 HZ PHE 23 HZ PHE 23 9.949 15.722 -24.673 188 H LEU 24 H LEU 24 4.892 14.486 -18.017 189 HA LEU 24 HA LEU 24 5.523 12.052 -16.618 190 HB2 LEU 24 HB2 LEU 24 5.271 14.368 -15.625 191 HB3 LEU 24 HB3 LEU 24 3.521 14.205 -15.847 192 HG LEU 24 HG LEU 24 3.585 12.148 -14.389 193 HD11 LEU 24 HD11 LEU 24 6.479 13.027 -13.972 194 HD12 LEU 24 HD12 LEU 24 5.627 11.809 -12.998 195 HD13 LEU 24 HD13 LEU 24 5.950 11.501 -14.716 196 HD21 LEU 24 HD21 LEU 24 3.908 13.376 -12.283 197 HD22 LEU 24 HD22 LEU 24 4.795 14.655 -13.144 198 HD23 LEU 24 HD23 LEU 24 3.067 14.403 -13.467 199 H GLU 25 H GLU 25 2.679 13.230 -18.420 200 HA GLU 25 HA GLU 25 1.052 10.966 -17.509 201 HB2 GLU 25 HB2 GLU 25 0.541 13.199 -19.506 202 HB3 GLU 25 HB3 GLU 25 -0.628 11.927 -19.083 203 HG2 GLU 25 HG2 GLU 25 -0.475 12.612 -16.694 204 HG3 GLU 25 HG3 GLU 25 0.601 13.938 -17.152 205 H VAL 26 H VAL 26 3.190 11.704 -20.221 206 HA VAL 26 HA VAL 26 2.109 9.595 -21.916 207 HB VAL 26 HB VAL 26 4.618 11.302 -21.981 208 HG11 VAL 26 HG11 VAL 26 4.966 10.427 -24.286 209 HG12 VAL 26 HG12 VAL 26 5.226 9.190 -23.047 210 HG13 VAL 26 HG13 VAL 26 3.715 9.202 -23.994 211 HG21 VAL 26 HG21 VAL 26 3.491 12.320 -23.905 212 HG22 VAL 26 HG22 VAL 26 2.168 11.136 -23.795 213 HG23 VAL 26 HG23 VAL 26 2.389 12.343 -22.511 214 H LEU 27 H LEU 27 4.297 9.728 -19.208 215 HA LEU 27 HA LEU 27 5.305 7.015 -19.850 216 HB2 LEU 27 HB2 LEU 27 6.207 9.051 -17.788 217 HB3 LEU 27 HB3 LEU 27 6.924 7.447 -18.012 218 HG LEU 27 HG LEU 27 6.806 9.609 -20.159 219 HD11 LEU 27 HD11 LEU 27 9.221 9.797 -19.780 220 HD12 LEU 27 HD12 LEU 27 8.316 10.171 -18.292 221 HD13 LEU 27 HD13 LEU 27 9.127 8.600 -18.468 222 HD21 LEU 27 HD21 LEU 27 8.439 8.137 -21.327 223 HD22 LEU 27 HD22 LEU 27 8.189 6.892 -20.081 224 HD23 LEU 27 HD23 LEU 27 6.852 7.368 -21.158 225 H ASP 28 H ASP 28 2.531 7.843 -18.807 226 HA ASP 28 HA ASP 28 0.979 7.035 -17.412 227 HB2 ASP 28 HB2 ASP 28 1.667 5.027 -18.709 228 HB3 ASP 28 HB3 ASP 28 2.724 4.559 -17.377 229 H LYS 29 H LYS 29 3.175 8.524 -16.126 230 HA LYS 29 HA LYS 29 3.420 7.304 -13.472 231 HB2 LYS 29 HB2 LYS 29 4.878 9.159 -15.045 232 HB3 LYS 29 HB3 LYS 29 4.248 10.085 -13.679 233 HG2 LYS 29 HG2 LYS 29 5.826 7.481 -13.462 234 HG3 LYS 29 HG3 LYS 29 6.509 9.105 -13.277 235 HD2 LYS 29 HD2 LYS 29 4.857 9.524 -11.421 236 HD3 LYS 29 HD3 LYS 29 4.427 7.797 -11.499 237 HE2 LYS 29 HE2 LYS 29 7.232 8.891 -11.026 238 HE3 LYS 29 HE3 LYS 29 6.130 8.339 -9.756 239 HZ1 LYS 29 HZ1 LYS 29 6.127 6.164 -10.816 240 HZ2 LYS 29 HZ2 LYS 29 7.193 6.685 -11.949 241 HZ3 LYS 29 HZ3 LYS 29 7.645 6.616 -10.370 242 H THR 30 H THR 30 2.653 8.472 -11.490 243 HA THR 30 HA THR 30 0.036 9.739 -12.064 244 HB THR 30 HB THR 30 1.091 8.514 -9.483 245 HG1 THR 30 HG1 THR 30 0.683 7.024 -11.156 246 HG21 THR 30 HG21 THR 30 -1.290 8.657 -8.803 247 HG22 THR 30 HG22 THR 30 -0.593 10.268 -9.079 248 HG23 THR 30 HG23 THR 30 -1.661 9.544 -10.299 249 HA PRO 31 HA PRO 31 1.996 13.570 -10.737 250 HB2 PRO 31 HB2 PRO 31 0.028 15.289 -11.438 251 HB3 PRO 31 HB3 PRO 31 0.972 14.413 -12.692 252 HG2 PRO 31 HG2 PRO 31 -1.732 13.656 -11.532 253 HG3 PRO 31 HG3 PRO 31 -1.279 13.797 -13.263 254 HD2 PRO 31 HD2 PRO 31 -1.251 11.399 -11.934 255 HD3 PRO 31 HD3 PRO 31 -0.048 11.788 -13.202 256 H VAL 32 H VAL 32 1.517 15.231 -9.086 257 HA VAL 32 HA VAL 32 -0.806 14.635 -7.337 258 HB VAL 32 HB VAL 32 0.627 14.860 -5.330 259 HG11 VAL 32 HG11 VAL 32 1.412 12.632 -5.324 260 HG12 VAL 32 HG12 VAL 32 -0.029 12.634 -6.355 261 HG13 VAL 32 HG13 VAL 32 1.593 12.595 -7.098 262 HG21 VAL 32 HG21 VAL 32 2.927 14.605 -7.311 263 HG22 VAL 32 HG22 VAL 32 2.584 16.019 -6.270 264 HG23 VAL 32 HG23 VAL 32 3.069 14.463 -5.558 265 H GLY 33 H GLY 33 1.614 16.931 -8.549 266 HA2 GLY 33 HA2 GLY 33 -0.060 19.106 -8.566 267 HA3 GLY 33 HA3 GLY 33 0.637 19.140 -6.937 268 H THR 34 H THR 34 1.121 21.257 -8.433 269 HA THR 34 HA THR 34 4.038 21.084 -8.903 270 HB THR 34 HB THR 34 2.072 22.479 -10.765 271 HG1 THR 34 HG1 THR 34 2.795 20.928 -12.242 272 HG21 THR 34 HG21 THR 34 5.111 22.222 -10.811 273 HG22 THR 34 HG22 THR 34 4.129 22.868 -12.150 274 HG23 THR 34 HG23 THR 34 4.182 23.719 -10.594 275 H VAL 35 H VAL 35 5.122 22.957 -8.215 276 HA VAL 35 HA VAL 35 3.443 25.168 -7.174 277 HB VAL 35 HB VAL 35 4.839 25.229 -5.115 278 HG11 VAL 35 HG11 VAL 35 2.589 24.199 -5.148 279 HG12 VAL 35 HG12 VAL 35 3.322 22.621 -5.531 280 HG13 VAL 35 HG13 VAL 35 3.670 23.405 -3.978 281 HG21 VAL 35 HG21 VAL 35 6.781 23.935 -5.912 282 HG22 VAL 35 HG22 VAL 35 6.085 23.215 -4.445 283 HG23 VAL 35 HG23 VAL 35 5.768 22.468 -6.021 284 H ASP 36 H ASP 36 4.563 27.158 -6.838 285 HA ASP 36 HA ASP 36 6.847 27.438 -8.717 286 HB2 ASP 36 HB2 ASP 36 4.770 29.477 -7.837 287 HB3 ASP 36 HB3 ASP 36 6.060 29.743 -9.024 288 H THR 37 H THR 37 6.524 27.016 -5.545 289 HA THR 37 HA THR 37 8.879 28.662 -4.948 290 HB THR 37 HB THR 37 7.051 30.186 -4.399 291 HG1 THR 37 HG1 THR 37 7.633 30.489 -2.252 292 HG21 THR 37 HG21 THR 37 6.060 27.980 -2.539 293 HG22 THR 37 HG22 THR 37 5.413 29.635 -2.641 294 HG23 THR 37 HG23 THR 37 5.247 28.536 -4.025 295 H VAL 38 H VAL 38 9.876 28.048 -2.884 296 HA VAL 38 HA VAL 38 9.887 25.176 -2.621 297 HB VAL 38 HB VAL 38 11.646 25.601 -0.939 298 HG11 VAL 38 HG11 VAL 38 13.232 26.740 -2.435 299 HG12 VAL 38 HG12 VAL 38 12.197 25.627 -3.361 300 HG13 VAL 38 HG13 VAL 38 11.892 27.378 -3.412 301 HG21 VAL 38 HG21 VAL 38 12.373 27.901 -0.452 302 HG22 VAL 38 HG22 VAL 38 11.009 28.553 -1.376 303 HG23 VAL 38 HG23 VAL 38 10.716 27.634 0.118 304 H ALA 39 H ALA 39 8.198 27.776 -0.981 305 HA ALA 39 HA ALA 39 7.765 26.377 1.495 306 HB1 ALA 39 HB1 ALA 39 6.208 28.633 0.160 307 HB2 ALA 39 HB2 ALA 39 6.070 28.135 1.863 308 HB3 ALA 39 HB3 ALA 39 7.590 28.828 1.256 309 H GLY 40 H GLY 40 6.251 26.288 -1.694 310 HA2 GLY 40 HA2 GLY 40 3.814 24.986 -0.792 311 HA3 GLY 40 HA3 GLY 40 4.384 25.185 -2.464 312 H ALA 41 H ALA 41 7.088 23.982 -1.580 313 HA ALA 41 HA ALA 41 6.349 21.227 -2.172 314 HB1 ALA 41 HB1 ALA 41 8.786 20.876 -2.219 315 HB2 ALA 41 HB2 ALA 41 8.326 22.295 -3.182 316 HB3 ALA 41 HB3 ALA 41 9.045 22.508 -1.564 317 H LEU 42 H LEU 42 7.356 23.107 0.693 318 HA LEU 42 HA LEU 42 7.635 20.685 2.318 319 HB2 LEU 42 HB2 LEU 42 7.581 23.659 2.981 320 HB3 LEU 42 HB3 LEU 42 7.843 22.387 4.174 321 HG LEU 42 HG LEU 42 9.629 22.900 1.750 322 HD11 LEU 42 HD11 LEU 42 10.043 23.453 4.717 323 HD12 LEU 42 HD12 LEU 42 11.231 23.725 3.421 324 HD13 LEU 42 HD13 LEU 42 9.738 24.682 3.464 325 HD21 LEU 42 HD21 LEU 42 9.683 20.530 2.410 326 HD22 LEU 42 HD22 LEU 42 11.171 21.331 2.940 327 HD23 LEU 42 HD23 LEU 42 9.884 20.989 4.117 328 H ALA 43 H ALA 43 5.056 22.890 1.406 329 HA ALA 43 HA ALA 43 3.398 22.198 3.704 330 HB1 ALA 43 HB1 ALA 43 2.772 23.649 1.100 331 HB2 ALA 43 HB2 ALA 43 1.701 23.561 2.515 332 HB3 ALA 43 HB3 ALA 43 3.260 24.410 2.629 333 H ARG 44 H ARG 44 3.839 21.024 0.383 334 HA ARG 44 HA ARG 44 1.389 19.408 0.539 335 HB2 ARG 44 HB2 ARG 44 3.544 19.740 -1.576 336 HB3 ARG 44 HB3 ARG 44 2.158 18.647 -1.740 337 HG2 ARG 44 HG2 ARG 44 0.587 20.514 -1.485 338 HG3 ARG 44 HG3 ARG 44 1.930 21.653 -1.286 339 HD2 ARG 44 HD2 ARG 44 2.767 21.085 -3.536 340 HD3 ARG 44 HD3 ARG 44 1.470 19.900 -3.738 341 HE ARG 44 HE ARG 44 1.231 22.849 -3.793 342 HH11 ARG 44 HH11 ARG 44 -0.412 19.714 -3.871 343 HH12 ARG 44 HH12 ARG 44 -1.882 20.375 -4.546 344 HH21 ARG 44 HH21 ARG 44 -0.706 23.676 -4.674 345 HH22 ARG 44 HH22 ARG 44 -2.049 22.605 -4.992 346 H VAL 45 H VAL 45 4.887 18.965 1.015 347 HA VAL 45 HA VAL 45 4.630 16.047 0.884 348 HB VAL 45 HB VAL 45 6.932 17.902 1.579 349 HG11 VAL 45 HG11 VAL 45 7.261 15.787 2.773 350 HG12 VAL 45 HG12 VAL 45 6.858 14.870 1.304 351 HG13 VAL 45 HG13 VAL 45 8.338 15.846 1.364 352 HG21 VAL 45 HG21 VAL 45 7.792 17.132 -0.602 353 HG22 VAL 45 HG22 VAL 45 6.358 16.093 -0.816 354 HG23 VAL 45 HG23 VAL 45 6.186 17.861 -0.812 355 H GLU 46 H GLU 46 4.578 18.559 3.408 356 HA GLU 46 HA GLU 46 4.958 16.616 5.533 357 HB2 GLU 46 HB2 GLU 46 5.634 18.989 5.688 358 HB3 GLU 46 HB3 GLU 46 3.926 19.478 5.653 359 HG2 GLU 46 HG2 GLU 46 3.498 18.348 7.752 360 HG3 GLU 46 HG3 GLU 46 5.086 17.560 7.711 361 H ASP 47 H ASP 47 2.330 17.525 3.520 362 HA ASP 47 HA ASP 47 0.268 16.643 5.421 363 HB2 ASP 47 HB2 ASP 47 -0.074 18.565 3.870 364 HB3 ASP 47 HB3 ASP 47 0.092 17.465 2.494 365 H GLY 48 H GLY 48 2.449 15.227 3.227 366 HA2 GLY 48 HA2 GLY 48 2.718 12.984 2.691 367 HA3 GLY 48 HA3 GLY 48 1.152 12.614 3.427 368 H GLY 49 H GLY 49 1.203 11.202 1.358 369 HA2 GLY 49 HA2 GLY 49 -0.032 10.781 -0.542 370 HA3 GLY 49 HA3 GLY 49 -0.526 12.486 -0.615 371 H ILE 50 H ILE 50 2.888 11.940 -0.299 372 HA ILE 50 HA ILE 50 3.348 12.015 -3.223 373 HB ILE 50 HB ILE 50 4.558 13.977 -1.230 374 HG12 ILE 50 HG12 ILE 50 2.498 14.334 -3.448 375 HG13 ILE 50 HG13 ILE 50 2.235 14.552 -1.713 376 HG21 ILE 50 HG21 ILE 50 6.130 13.303 -3.013 377 HG22 ILE 50 HG22 ILE 50 4.921 13.712 -4.251 378 HG23 ILE 50 HG23 ILE 50 5.628 14.977 -3.215 379 HD11 ILE 50 HD11 ILE 50 3.994 16.264 -3.510 380 HD12 ILE 50 HD12 ILE 50 2.457 16.711 -2.764 381 HD13 ILE 50 HD13 ILE 50 3.887 16.433 -1.736 382 H ASP 51 H ASP 51 5.394 11.118 -3.829 383 HA ASP 51 HA ASP 51 6.706 9.610 -1.604 384 HB2 ASP 51 HB2 ASP 51 6.369 8.868 -4.527 385 HB3 ASP 51 HB3 ASP 51 7.232 7.918 -3.315 386 H ALA 52 H ALA 52 7.214 11.870 -4.251 387 HA ALA 52 HA ALA 52 9.962 12.284 -3.387 388 HB1 ALA 52 HB1 ALA 52 10.238 10.313 -4.857 389 HB2 ALA 52 HB2 ALA 52 9.380 11.164 -6.159 390 HB3 ALA 52 HB3 ALA 52 10.962 11.763 -5.589 391 H ALA 53 H ALA 53 11.014 14.007 -4.920 392 HA ALA 53 HA ALA 53 9.011 15.626 -6.362 393 HB1 ALA 53 HB1 ALA 53 9.594 17.670 -5.116 394 HB2 ALA 53 HB2 ALA 53 8.890 16.446 -4.044 395 HB3 ALA 53 HB3 ALA 53 10.650 16.717 -4.046 396 H ILE 54 H ILE 54 9.996 17.428 -7.559 397 HA ILE 54 HA ILE 54 12.885 17.025 -8.177 398 HB ILE 54 HB ILE 54 10.611 17.625 -10.119 399 HG12 ILE 54 HG12 ILE 54 12.428 15.196 -9.811 400 HG13 ILE 54 HG13 ILE 54 10.712 15.268 -9.378 401 HG21 ILE 54 HG21 ILE 54 12.676 18.851 -10.683 402 HG22 ILE 54 HG22 ILE 54 13.609 17.341 -10.585 403 HG23 ILE 54 HG23 ILE 54 12.368 17.565 -11.850 404 HD11 ILE 54 HD11 ILE 54 11.869 15.531 -12.179 405 HD12 ILE 54 HD12 ILE 54 10.922 14.187 -11.532 406 HD13 ILE 54 HD13 ILE 54 10.151 15.776 -11.763 407 H LEU 55 H LEU 55 14.097 18.874 -8.186 408 HA LEU 55 HA LEU 55 12.623 21.411 -7.603 409 HB2 LEU 55 HB2 LEU 55 15.246 20.268 -6.598 410 HB3 LEU 55 HB3 LEU 55 14.903 21.990 -6.520 411 HG LEU 55 HG LEU 55 14.469 20.874 -4.387 412 HD11 LEU 55 HD11 LEU 55 12.266 21.856 -3.967 413 HD12 LEU 55 HD12 LEU 55 13.232 22.919 -5.015 414 HD13 LEU 55 HD13 LEU 55 11.934 21.920 -5.711 415 HD21 LEU 55 HD21 LEU 55 12.623 19.378 -4.036 416 HD22 LEU 55 HD22 LEU 55 12.131 19.481 -5.733 417 HD23 LEU 55 HD23 LEU 55 13.663 18.677 -5.295 418 H ASP 56 H ASP 56 12.825 23.024 -9.034 419 HA ASP 56 HA ASP 56 14.926 22.987 -11.070 420 HB2 ASP 56 HB2 ASP 56 12.745 23.845 -11.681 421 HB3 ASP 56 HB3 ASP 56 12.754 24.964 -10.308 422 H VAL 57 H VAL 57 16.882 23.984 -10.909 423 HA VAL 57 HA VAL 57 17.448 25.376 -8.360 424 HB VAL 57 HB VAL 57 19.433 24.380 -10.435 425 HG11 VAL 57 HG11 VAL 57 20.963 24.390 -8.468 426 HG12 VAL 57 HG12 VAL 57 20.382 26.016 -8.855 427 HG13 VAL 57 HG13 VAL 57 19.672 25.119 -7.487 428 HG21 VAL 57 HG21 VAL 57 18.083 22.484 -9.613 429 HG22 VAL 57 HG22 VAL 57 19.700 22.441 -8.882 430 HG23 VAL 57 HG23 VAL 57 18.312 23.029 -7.940 431 H ASN 58 H ASN 58 16.686 26.105 -11.581 432 HA ASN 58 HA ASN 58 18.169 28.633 -11.649 433 HB2 ASN 58 HB2 ASN 58 17.895 27.191 -13.659 434 HB3 ASN 58 HB3 ASN 58 16.140 27.458 -13.587 435 HD21 ASN 58 HD21 ASN 58 18.636 30.599 -14.668 436 HD22 ASN 58 HD22 ASN 58 19.221 29.354 -13.582 437 H LEU 59 H LEU 59 16.050 27.974 -9.584 438 HA LEU 59 HA LEU 59 13.663 29.380 -10.049 439 HB2 LEU 59 HB2 LEU 59 14.112 27.774 -8.223 440 HB3 LEU 59 HB3 LEU 59 15.215 28.928 -7.467 441 HG LEU 59 HG LEU 59 13.341 30.498 -7.092 442 HD11 LEU 59 HD11 LEU 59 11.015 29.699 -7.448 443 HD12 LEU 59 HD12 LEU 59 11.885 29.887 -8.985 444 HD13 LEU 59 HD13 LEU 59 11.641 28.265 -8.292 445 HD21 LEU 59 HD21 LEU 59 13.928 28.783 -5.401 446 HD22 LEU 59 HD22 LEU 59 12.188 29.156 -5.383 447 HD23 LEU 59 HD23 LEU 59 12.771 27.659 -6.149 448 H ARG 60 H ARG 60 12.938 31.452 -9.416 449 HA ARG 60 HA ARG 60 14.747 33.571 -9.999 450 HB2 ARG 60 HB2 ARG 60 12.836 35.025 -9.520 451 HB3 ARG 60 HB3 ARG 60 12.347 33.633 -10.496 452 HG2 ARG 60 HG2 ARG 60 11.589 32.484 -8.378 453 HG3 ARG 60 HG3 ARG 60 11.942 33.978 -7.494 454 HD2 ARG 60 HD2 ARG 60 10.341 35.205 -8.928 455 HD3 ARG 60 HD3 ARG 60 9.990 33.722 -9.828 456 HE ARG 60 HE ARG 60 8.962 34.497 -7.223 457 HH11 ARG 60 HH11 ARG 60 9.712 31.705 -9.292 458 HH12 ARG 60 HH12 ARG 60 8.670 30.635 -8.382 459 HH21 ARG 60 HH21 ARG 60 7.575 33.056 -6.123 460 HH22 ARG 60 HH22 ARG 60 7.469 31.387 -6.653 461 H GLY 61 H GLY 61 15.435 35.341 -8.679 462 HA2 GLY 61 HA2 GLY 61 16.137 36.349 -6.723 463 HA3 GLY 61 HA3 GLY 61 15.277 35.123 -5.773 464 H GLY 62 H GLY 62 17.316 33.778 -8.201 465 HA2 GLY 62 HA2 GLY 62 19.521 32.985 -8.143 466 HA3 GLY 62 HA3 GLY 62 19.717 33.634 -6.512 467 H GLU 63 H GLU 63 20.797 31.342 -6.520 468 HA GLU 63 HA GLU 63 19.085 29.033 -6.461 469 HB2 GLU 63 HB2 GLU 63 21.885 29.504 -5.356 470 HB3 GLU 63 HB3 GLU 63 21.096 27.924 -5.488 471 HG2 GLU 63 HG2 GLU 63 20.923 28.192 -7.934 472 HG3 GLU 63 HG3 GLU 63 21.677 29.791 -7.824 473 H LYS 64 H LYS 64 17.609 28.609 -4.979 474 HA LYS 64 HA LYS 64 18.303 28.759 -2.135 475 HB2 LYS 64 HB2 LYS 64 16.365 30.101 -1.510 476 HB3 LYS 64 HB3 LYS 64 17.375 31.010 -2.644 477 HG2 LYS 64 HG2 LYS 64 15.849 30.346 -4.509 478 HG3 LYS 64 HG3 LYS 64 14.829 29.484 -3.335 479 HD2 LYS 64 HD2 LYS 64 14.481 31.626 -2.106 480 HD3 LYS 64 HD3 LYS 64 15.456 32.472 -3.324 481 HE2 LYS 64 HE2 LYS 64 13.877 31.725 -5.088 482 HE3 LYS 64 HE3 LYS 64 12.893 30.913 -3.856 483 HZ1 LYS 64 HZ1 LYS 64 13.449 33.803 -3.974 484 HZ2 LYS 64 HZ2 LYS 64 12.026 33.085 -4.378 485 HZ3 LYS 64 HZ3 LYS 64 12.544 33.052 -2.821 486 H SER 65 H SER 65 17.355 26.914 -4.527 487 HA SER 65 HA SER 65 15.043 25.654 -3.157 488 HB2 SER 65 HB2 SER 65 14.653 24.573 -5.363 489 HB3 SER 65 HB3 SER 65 14.617 26.347 -5.445 490 HG SER 65 HG SER 65 15.887 25.358 -7.093 491 H THR 66 H THR 66 18.338 25.328 -3.116 492 HA THR 66 HA THR 66 18.270 22.378 -3.185 493 HB THR 66 HB THR 66 20.717 22.541 -2.876 494 HG1 THR 66 HG1 THR 66 21.641 24.597 -3.084 495 HG21 THR 66 HG21 THR 66 19.579 24.232 -5.146 496 HG22 THR 66 HG22 THR 66 21.175 23.445 -5.120 497 HG23 THR 66 HG23 THR 66 19.700 22.458 -5.133 498 HA PRO 67 HA PRO 67 19.268 23.332 1.440 499 HB2 PRO 67 HB2 PRO 67 17.391 25.627 1.870 500 HB3 PRO 67 HB3 PRO 67 18.999 25.340 2.609 501 HG2 PRO 67 HG2 PRO 67 18.698 27.213 0.674 502 HG3 PRO 67 HG3 PRO 67 20.121 26.111 0.648 503 HD2 PRO 67 HD2 PRO 67 17.512 25.832 -0.878 504 HD3 PRO 67 HD3 PRO 67 19.191 25.745 -1.500 505 H VAL 68 H VAL 68 16.194 23.816 -0.249 506 HA VAL 68 HA VAL 68 14.622 22.592 1.900 507 HB VAL 68 HB VAL 68 13.713 24.422 0.516 508 HG11 VAL 68 HG11 VAL 68 13.023 23.974 -1.811 509 HG12 VAL 68 HG12 VAL 68 14.788 23.893 -1.628 510 HG13 VAL 68 HG13 VAL 68 13.832 22.399 -1.759 511 HG21 VAL 68 HG21 VAL 68 12.212 22.779 1.584 512 HG22 VAL 68 HG22 VAL 68 11.539 23.436 0.074 513 HG23 VAL 68 HG23 VAL 68 12.226 21.799 0.096 514 H ALA 69 H ALA 69 16.359 21.555 -0.980 515 HA ALA 69 HA ALA 69 14.920 19.071 -1.289 516 HB1 ALA 69 HB1 ALA 69 16.849 18.453 -2.700 517 HB2 ALA 69 HB2 ALA 69 16.293 20.101 -3.082 518 HB3 ALA 69 HB3 ALA 69 17.758 19.851 -2.098 519 H GLU 70 H GLU 70 17.703 20.190 0.646 520 HA GLU 70 HA GLU 70 18.402 17.539 1.572 521 HB2 GLU 70 HB2 GLU 70 19.074 20.333 2.554 522 HB3 GLU 70 HB3 GLU 70 19.775 18.840 3.222 523 HG2 GLU 70 HG2 GLU 70 20.666 18.232 1.021 524 HG3 GLU 70 HG3 GLU 70 19.930 19.654 0.286 525 H ALA 71 H ALA 71 15.900 19.833 2.399 526 HA ALA 71 HA ALA 71 15.452 18.732 5.059 527 HB1 ALA 71 HB1 ALA 71 13.655 20.403 3.255 528 HB2 ALA 71 HB2 ALA 71 13.405 20.081 4.986 529 HB3 ALA 71 HB3 ALA 71 14.804 21.041 4.456 530 H LEU 72 H LEU 72 14.386 18.054 1.720 531 HA LEU 72 HA LEU 72 12.350 16.150 2.494 532 HB2 LEU 72 HB2 LEU 72 14.005 16.383 -0.058 533 HB3 LEU 72 HB3 LEU 72 12.581 15.358 0.149 534 HG LEU 72 HG LEU 72 12.590 18.401 0.360 535 HD11 LEU 72 HD11 LEU 72 11.366 18.288 -1.783 536 HD12 LEU 72 HD12 LEU 72 12.986 17.570 -1.933 537 HD13 LEU 72 HD13 LEU 72 11.559 16.518 -1.801 538 HD21 LEU 72 HD21 LEU 72 10.324 16.367 0.387 539 HD22 LEU 72 HD22 LEU 72 10.828 17.405 1.747 540 HD23 LEU 72 HD23 LEU 72 10.118 18.131 0.297 541 H ALA 73 H ALA 73 15.884 16.041 2.048 542 HA ALA 73 HA ALA 73 16.065 13.170 2.207 543 HB1 ALA 73 HB1 ALA 73 18.114 15.350 2.776 544 HB2 ALA 73 HB2 ALA 73 18.468 13.621 2.566 545 HB3 ALA 73 HB3 ALA 73 17.824 14.565 1.205 546 H ALA 74 H ALA 74 15.716 15.768 4.565 547 HA ALA 74 HA ALA 74 16.416 14.073 6.837 548 HB1 ALA 74 HB1 ALA 74 16.772 16.515 6.873 549 HB2 ALA 74 HB2 ALA 74 15.021 16.772 6.691 550 HB3 ALA 74 HB3 ALA 74 15.659 16.000 8.160 551 H ARG 75 H ARG 75 13.681 14.506 4.793 552 HA ARG 75 HA ARG 75 11.891 13.173 6.755 553 HB2 ARG 75 HB2 ARG 75 11.312 14.542 4.101 554 HB3 ARG 75 HB3 ARG 75 10.095 13.748 5.109 555 HG2 ARG 75 HG2 ARG 75 11.803 16.119 5.971 556 HG3 ARG 75 HG3 ARG 75 10.114 16.202 5.429 557 HD2 ARG 75 HD2 ARG 75 9.463 14.702 7.313 558 HD3 ARG 75 HD3 ARG 75 11.141 14.720 7.880 559 HE ARG 75 HE ARG 75 10.884 16.885 8.670 560 HH11 ARG 75 HH11 ARG 75 8.035 15.971 6.757 561 HH12 ARG 75 HH12 ARG 75 7.115 17.365 7.277 562 HH21 ARG 75 HH21 ARG 75 9.631 18.677 9.319 563 HH22 ARG 75 HH22 ARG 75 8.004 18.877 8.702 564 H ASP 76 H ASP 76 14.211 12.104 4.913 565 HA ASP 76 HA ASP 76 14.684 10.241 3.759 566 HB2 ASP 76 HB2 ASP 76 12.213 9.119 5.110 567 HB3 ASP 76 HB3 ASP 76 13.517 8.185 4.366 568 H ILE 77 H ILE 77 13.148 12.217 2.317 569 HA ILE 77 HA ILE 77 11.785 10.465 0.333 570 HB ILE 77 HB ILE 77 11.369 13.364 1.101 571 HG12 ILE 77 HG12 ILE 77 9.510 10.940 0.993 572 HG13 ILE 77 HG13 ILE 77 10.284 11.557 2.460 573 HG21 ILE 77 HG21 ILE 77 10.145 11.850 -1.243 574 HG22 ILE 77 HG22 ILE 77 9.722 13.499 -0.720 575 HG23 ILE 77 HG23 ILE 77 11.329 13.175 -1.371 576 HD11 ILE 77 HD11 ILE 77 8.005 12.371 2.363 577 HD12 ILE 77 HD12 ILE 77 9.124 13.733 2.143 578 HD13 ILE 77 HD13 ILE 77 8.259 13.044 0.742 579 HA PRO 78 HA PRO 78 15.321 11.536 -2.141 580 HB2 PRO 78 HB2 PRO 78 14.708 10.185 -4.406 581 HB3 PRO 78 HB3 PRO 78 15.070 9.328 -2.866 582 HG2 PRO 78 HG2 PRO 78 12.348 10.053 -4.006 583 HG3 PRO 78 HG3 PRO 78 12.894 8.447 -3.420 584 HD2 PRO 78 HD2 PRO 78 11.491 10.173 -1.831 585 HD3 PRO 78 HD3 PRO 78 12.787 9.129 -1.168 586 H PHE 79 H PHE 79 15.903 12.715 -4.058 587 HA PHE 79 HA PHE 79 13.811 14.054 -5.604 588 HB2 PHE 79 HB2 PHE 79 14.559 16.296 -5.028 589 HB3 PHE 79 HB3 PHE 79 14.021 15.464 -3.573 590 HD1 PHE 79 HD1 PHE 79 15.522 15.045 -1.748 591 HD2 PHE 79 HD2 PHE 79 17.028 16.602 -5.465 592 HE1 PHE 79 HE1 PHE 79 17.703 15.558 -0.662 593 HE2 PHE 79 HE2 PHE 79 19.202 17.083 -4.382 594 HZ PHE 79 HZ PHE 79 19.526 16.573 -1.970 595 H VAL 80 H VAL 80 14.820 15.492 -7.286 596 HA VAL 80 HA VAL 80 17.683 15.019 -7.849 597 HB VAL 80 HB VAL 80 17.161 14.589 -10.249 598 HG11 VAL 80 HG11 VAL 80 16.621 12.227 -9.991 599 HG12 VAL 80 HG12 VAL 80 17.745 12.741 -8.713 600 HG13 VAL 80 HG13 VAL 80 16.021 12.511 -8.343 601 HG21 VAL 80 HG21 VAL 80 14.837 15.459 -10.274 602 HG22 VAL 80 HG22 VAL 80 14.936 13.796 -10.888 603 HG23 VAL 80 HG23 VAL 80 14.330 14.093 -9.248 604 H PHE 81 H PHE 81 18.503 16.606 -9.475 605 HA PHE 81 HA PHE 81 17.010 19.153 -9.147 606 HB2 PHE 81 HB2 PHE 81 19.872 18.677 -10.018 607 HB3 PHE 81 HB3 PHE 81 19.121 20.239 -9.736 608 HD1 PHE 81 HD1 PHE 81 21.518 18.337 -8.430 609 HD2 PHE 81 HD2 PHE 81 17.753 20.014 -7.186 610 HE1 PHE 81 HE1 PHE 81 22.270 18.270 -6.075 611 HE2 PHE 81 HE2 PHE 81 18.517 19.950 -4.822 612 HZ PHE 81 HZ PHE 81 20.771 19.086 -4.266 613 H ALA 82 H ALA 82 16.769 20.634 -10.884 614 HA ALA 82 HA ALA 82 17.394 19.612 -13.589 615 HB1 ALA 82 HB1 ALA 82 15.007 19.128 -13.195 616 HB2 ALA 82 HB2 ALA 82 14.731 20.824 -12.735 617 HB3 ALA 82 HB3 ALA 82 15.201 20.413 -14.401 618 H THR 83 H THR 83 18.690 21.081 -14.543 619 HA THR 83 HA THR 83 18.105 23.885 -14.612 620 HB THR 83 HB THR 83 18.910 23.736 -12.275 621 HG1 THR 83 HG1 THR 83 19.348 25.611 -13.393 622 HG21 THR 83 HG21 THR 83 20.441 21.807 -12.506 623 HG22 THR 83 HG22 THR 83 21.546 22.801 -13.490 624 HG23 THR 83 HG23 THR 83 21.254 23.214 -11.786 625 H GLY 84 H GLY 84 19.621 25.049 -15.987 626 HA2 GLY 84 HA2 GLY 84 21.239 23.305 -17.729 627 HA3 GLY 84 HA3 GLY 84 20.894 25.027 -17.964 628 H GLY 85 H GLY 85 23.514 23.416 -17.886 629 HA2 GLY 85 HA2 GLY 85 25.278 25.273 -16.901 630 HA3 GLY 85 HA3 GLY 85 24.868 24.317 -15.472 631 H SER 86 H SER 86 27.097 23.692 -15.396 632 HA SER 86 HA SER 86 27.707 21.362 -17.132 633 HB2 SER 86 HB2 SER 86 28.887 23.360 -18.015 634 HB3 SER 86 HB3 SER 86 29.652 23.589 -16.426 635 HG SER 86 HG SER 86 30.943 22.397 -17.934 636 H ASP 87 H ASP 87 29.657 20.134 -16.121 637 HA ASP 87 HA ASP 87 28.926 19.436 -13.440 638 HB2 ASP 87 HB2 ASP 87 29.822 17.861 -15.111 639 HB3 ASP 87 HB3 ASP 87 31.372 18.718 -15.091 640 H ASP 88 H ASP 88 30.913 21.946 -14.678 641 HA ASP 88 HA ASP 88 32.604 22.068 -12.263 642 HB2 ASP 88 HB2 ASP 88 33.576 22.295 -14.547 643 HB3 ASP 88 HB3 ASP 88 32.630 23.766 -14.784 644 H SER 89 H SER 89 29.518 22.968 -12.912 645 HA SER 89 HA SER 89 29.755 25.428 -11.258 646 HB2 SER 89 HB2 SER 89 27.934 26.436 -12.515 647 HB3 SER 89 HB3 SER 89 29.278 26.024 -13.598 648 HG SER 89 HG SER 89 26.875 24.566 -13.206 649 H VAL 90 H VAL 90 29.161 22.485 -10.671 650 HA VAL 90 HA VAL 90 26.662 22.990 -9.148 651 HB VAL 90 HB VAL 90 26.053 20.616 -9.519 652 HG11 VAL 90 HG11 VAL 90 26.152 22.316 -12.036 653 HG12 VAL 90 HG12 VAL 90 25.028 20.969 -11.701 654 HG13 VAL 90 HG13 VAL 90 24.944 22.449 -10.731 655 HG21 VAL 90 HG21 VAL 90 28.236 19.752 -10.262 656 HG22 VAL 90 HG22 VAL 90 26.972 19.425 -11.466 657 HG23 VAL 90 HG23 VAL 90 28.134 20.744 -11.736 658 H ASP 91 H ASP 91 26.387 21.734 -7.244 659 HA ASP 91 HA ASP 91 28.902 21.378 -5.817 660 HB2 ASP 91 HB2 ASP 91 26.924 22.572 -4.901 661 HB3 ASP 91 HB3 ASP 91 26.018 21.053 -4.920 662 H SER 92 H SER 92 28.975 19.426 -4.212 663 HA SER 92 HA SER 92 29.414 17.131 -5.793 664 HB2 SER 92 HB2 SER 92 29.887 16.035 -3.633 665 HB3 SER 92 HB3 SER 92 30.640 17.640 -3.733 666 HG SER 92 HG SER 92 29.563 17.310 -1.746 667 H ARG 93 H ARG 93 26.454 18.184 -4.179 668 HA ARG 93 HA ARG 93 25.314 15.508 -4.077 669 HB2 ARG 93 HB2 ARG 93 24.266 18.306 -3.652 670 HB3 ARG 93 HB3 ARG 93 23.138 16.966 -3.915 671 HG2 ARG 93 HG2 ARG 93 23.412 17.151 -1.565 672 HG3 ARG 93 HG3 ARG 93 24.251 15.687 -2.089 673 HD2 ARG 93 HD2 ARG 93 25.649 16.777 -0.473 674 HD3 ARG 93 HD3 ARG 93 26.414 17.015 -2.050 675 HE ARG 93 HE ARG 93 26.013 19.313 -1.875 676 HH11 ARG 93 HH11 ARG 93 24.204 17.589 0.623 677 HH12 ARG 93 HH12 ARG 93 23.654 19.060 1.395 678 HH21 ARG 93 HH21 ARG 93 25.294 21.189 -0.866 679 HH22 ARG 93 HH22 ARG 93 24.242 21.095 0.538 680 H PHE 94 H PHE 94 25.691 17.933 -6.565 681 HA PHE 94 HA PHE 94 23.632 16.786 -8.305 682 HB2 PHE 94 HB2 PHE 94 25.982 18.629 -8.848 683 HB3 PHE 94 HB3 PHE 94 24.694 18.266 -9.988 684 HD1 PHE 94 HD1 PHE 94 23.059 19.862 -10.265 685 HD2 PHE 94 HD2 PHE 94 25.036 19.573 -6.455 686 HE1 PHE 94 HE1 PHE 94 21.776 21.816 -9.450 687 HE2 PHE 94 HE2 PHE 94 23.737 21.522 -5.641 688 HZ PHE 94 HZ PHE 94 22.114 22.647 -7.135 689 H ARG 95 H ARG 95 26.983 16.301 -7.467 690 HA ARG 95 HA ARG 95 27.557 14.622 -9.804 691 HB2 ARG 95 HB2 ARG 95 29.214 15.244 -7.332 692 HB3 ARG 95 HB3 ARG 95 29.787 14.466 -8.815 693 HG2 ARG 95 HG2 ARG 95 29.188 16.518 -10.101 694 HG3 ARG 95 HG3 ARG 95 28.673 17.302 -8.593 695 HD2 ARG 95 HD2 ARG 95 30.933 17.053 -7.665 696 HD3 ARG 95 HD3 ARG 95 31.470 16.218 -9.136 697 HE ARG 95 HE ARG 95 30.697 18.459 -10.272 698 HH11 ARG 95 HH11 ARG 95 32.348 18.131 -7.154 699 HH12 ARG 95 HH12 ARG 95 33.136 19.686 -7.282 700 HH21 ARG 95 HH21 ARG 95 31.740 20.461 -10.404 701 HH22 ARG 95 HH22 ARG 95 32.782 21.013 -9.106 702 H ASP 96 H ASP 96 25.999 14.217 -6.819 703 HA ASP 96 HA ASP 96 26.605 11.296 -6.831 704 HB2 ASP 96 HB2 ASP 96 27.474 12.554 -4.866 705 HB3 ASP 96 HB3 ASP 96 25.812 13.050 -4.487 706 H ARG 97 H ARG 97 24.229 13.554 -7.603 707 HA ARG 97 HA ARG 97 22.161 11.450 -7.448 708 HB2 ARG 97 HB2 ARG 97 21.979 13.056 -5.477 709 HB3 ARG 97 HB3 ARG 97 21.687 14.352 -6.649 710 HG2 ARG 97 HG2 ARG 97 19.571 13.604 -5.782 711 HG3 ARG 97 HG3 ARG 97 19.688 13.095 -7.473 712 HD2 ARG 97 HD2 ARG 97 20.439 10.817 -6.652 713 HD3 ARG 97 HD3 ARG 97 20.158 11.375 -4.993 714 HE ARG 97 HE ARG 97 17.771 11.908 -6.196 715 HH11 ARG 97 HH11 ARG 97 19.779 8.999 -6.041 716 HH12 ARG 97 HH12 ARG 97 18.422 7.913 -6.216 717 HH21 ARG 97 HH21 ARG 97 16.023 10.465 -6.446 718 HH22 ARG 97 HH22 ARG 97 16.304 8.738 -6.443 719 HA PRO 98 HA PRO 98 21.759 12.460 -11.685 720 HB2 PRO 98 HB2 PRO 98 18.802 12.108 -11.244 721 HB3 PRO 98 HB3 PRO 98 19.829 11.434 -12.553 722 HG2 PRO 98 HG2 PRO 98 19.136 9.867 -10.472 723 HG3 PRO 98 HG3 PRO 98 20.848 9.874 -11.032 724 HD2 PRO 98 HD2 PRO 98 19.621 11.374 -8.705 725 HD3 PRO 98 HD3 PRO 98 21.143 10.420 -8.760 726 H VAL 99 H VAL 99 21.216 14.049 -13.147 727 HA VAL 99 HA VAL 99 19.543 16.324 -12.301 728 HB VAL 99 HB VAL 99 21.240 17.949 -12.889 729 HG11 VAL 99 HG11 VAL 99 22.442 15.947 -10.942 730 HG12 VAL 99 HG12 VAL 99 22.732 17.703 -11.000 731 HG13 VAL 99 HG13 VAL 99 21.133 17.074 -10.533 732 HG21 VAL 99 HG21 VAL 99 22.519 16.649 -14.563 733 HG22 VAL 99 HG22 VAL 99 23.589 17.286 -13.298 734 HG23 VAL 99 HG23 VAL 99 23.120 15.576 -13.273 735 H LEU 100 H LEU 100 18.857 17.647 -14.104 736 HA LEU 100 HA LEU 100 19.548 16.683 -16.793 737 HB2 LEU 100 HB2 LEU 100 17.602 15.317 -15.984 738 HB3 LEU 100 HB3 LEU 100 16.685 16.807 -15.755 739 HG LEU 100 HG LEU 100 16.849 17.272 -18.200 740 HD11 LEU 100 HD11 LEU 100 18.195 14.538 -18.291 741 HD12 LEU 100 HD12 LEU 100 17.640 15.464 -19.702 742 HD13 LEU 100 HD13 LEU 100 18.967 16.089 -18.703 743 HD21 LEU 100 HD21 LEU 100 14.942 15.998 -17.249 744 HD22 LEU 100 HD22 LEU 100 15.323 15.491 -18.912 745 HD23 LEU 100 HD23 LEU 100 15.828 14.481 -17.538 746 H GLN 101 H GLN 101 18.958 18.234 -18.477 747 HA GLN 101 HA GLN 101 19.033 20.986 -17.564 748 HB2 GLN 101 HB2 GLN 101 18.667 19.782 -20.341 749 HB3 GLN 101 HB3 GLN 101 18.854 21.504 -19.986 750 HG2 GLN 101 HG2 GLN 101 21.012 20.793 -20.592 751 HG3 GLN 101 HG3 GLN 101 21.051 20.943 -18.837 752 HE21 GLN 101 HE21 GLN 101 22.763 17.797 -19.167 753 HE22 GLN 101 HE22 GLN 101 22.996 19.532 -19.064 754 H LYS 102 H LYS 102 17.397 22.644 -18.183 755 HA LYS 102 HA LYS 102 14.856 21.784 -17.204 756 HB2 LYS 102 HB2 LYS 102 15.650 24.424 -18.492 757 HB3 LYS 102 HB3 LYS 102 14.134 24.088 -17.635 758 HG2 LYS 102 HG2 LYS 102 15.563 23.368 -15.635 759 HG3 LYS 102 HG3 LYS 102 16.962 24.018 -16.510 760 HD2 LYS 102 HD2 LYS 102 16.121 25.658 -14.920 761 HD3 LYS 102 HD3 LYS 102 15.855 26.251 -16.573 762 HE2 LYS 102 HE2 LYS 102 13.509 25.576 -16.486 763 HE3 LYS 102 HE3 LYS 102 13.755 24.781 -14.923 764 HZ1 LYS 102 HZ1 LYS 102 14.186 26.890 -13.941 765 HZ2 LYS 102 HZ2 LYS 102 14.052 27.675 -15.388 766 HZ3 LYS 102 HZ3 LYS 102 12.746 26.929 -14.702 767 HA PRO 103 HA PRO 103 13.205 21.999 -21.668 768 HB2 PRO 103 HB2 PRO 103 14.940 21.716 -23.758 769 HB3 PRO 103 HB3 PRO 103 14.480 23.318 -23.090 770 HG2 PRO 103 HG2 PRO 103 16.951 21.671 -22.461 771 HG3 PRO 103 HG3 PRO 103 16.865 23.412 -22.886 772 HD2 PRO 103 HD2 PRO 103 17.030 22.580 -20.315 773 HD3 PRO 103 HD3 PRO 103 16.001 23.980 -20.757 774 H PHE 104 H PHE 104 12.350 20.011 -22.009 775 HA PHE 104 HA PHE 104 14.053 17.659 -21.377 776 HB2 PHE 104 HB2 PHE 104 11.083 18.214 -21.267 777 HB3 PHE 104 HB3 PHE 104 11.717 16.575 -21.287 778 HD1 PHE 104 HD1 PHE 104 13.995 18.735 -19.514 779 HD2 PHE 104 HD2 PHE 104 10.308 16.536 -19.124 780 HE1 PHE 104 HE1 PHE 104 14.254 18.727 -17.060 781 HE2 PHE 104 HE2 PHE 104 10.599 16.509 -16.668 782 HZ PHE 104 HZ PHE 104 12.561 17.615 -15.632 783 H THR 105 H THR 105 13.941 15.761 -22.580 784 HA THR 105 HA THR 105 12.780 15.877 -25.301 785 HB THR 105 HB THR 105 14.855 14.990 -26.269 786 HG1 THR 105 HG1 THR 105 16.739 15.048 -24.978 787 HG21 THR 105 HG21 THR 105 15.390 17.585 -24.753 788 HG22 THR 105 HG22 THR 105 16.215 17.023 -26.221 789 HG23 THR 105 HG23 THR 105 14.490 17.449 -26.281 790 H MET 106 H MET 106 12.755 13.633 -26.277 791 HA MET 106 HA MET 106 11.623 11.844 -24.369 792 HB2 MET 106 HB2 MET 106 12.563 11.439 -27.240 793 HB3 MET 106 HB3 MET 106 11.675 10.229 -26.295 794 HG2 MET 106 HG2 MET 106 10.088 11.374 -27.654 795 HG3 MET 106 HG3 MET 106 9.822 11.844 -25.978 796 HE1 MET 106 HE1 MET 106 8.666 15.013 -27.903 797 HE2 MET 106 HE2 MET 106 8.458 13.313 -28.374 798 HE3 MET 106 HE3 MET 106 8.268 13.797 -26.667 799 H ASP 107 H ASP 107 14.929 12.239 -25.556 800 HA ASP 107 HA ASP 107 15.771 9.636 -24.501 801 HB2 ASP 107 HB2 ASP 107 17.341 11.978 -25.638 802 HB3 ASP 107 HB3 ASP 107 18.013 10.393 -25.215 803 H GLY 108 H GLY 108 15.933 13.083 -23.520 804 HA2 GLY 108 HA2 GLY 108 17.782 12.596 -21.358 805 HA3 GLY 108 HA3 GLY 108 16.826 14.064 -21.652 806 H VAL 109 H VAL 109 14.234 12.638 -21.688 807 HA VAL 109 HA VAL 109 13.793 12.607 -18.800 808 HB VAL 109 HB VAL 109 11.970 12.189 -21.198 809 HG11 VAL 109 HG11 VAL 109 11.029 11.055 -19.207 810 HG12 VAL 109 HG12 VAL 109 11.249 12.552 -18.258 811 HG13 VAL 109 HG13 VAL 109 10.109 12.509 -19.624 812 HG21 VAL 109 HG21 VAL 109 12.930 14.485 -20.916 813 HG22 VAL 109 HG22 VAL 109 11.179 14.454 -20.615 814 HG23 VAL 109 HG23 VAL 109 12.316 14.510 -19.250 815 H ALA 110 H ALA 110 14.247 10.218 -21.386 816 HA ALA 110 HA ALA 110 13.048 8.028 -19.977 817 HB1 ALA 110 HB1 ALA 110 14.305 6.655 -21.618 818 HB2 ALA 110 HB2 ALA 110 13.456 8.002 -22.406 819 HB3 ALA 110 HB3 ALA 110 15.210 8.099 -22.126 820 H LYS 111 H LYS 111 16.236 9.583 -19.826 821 HA LYS 111 HA LYS 111 17.391 7.399 -18.245 822 HB2 LYS 111 HB2 LYS 111 18.392 10.190 -18.937 823 HB3 LYS 111 HB3 LYS 111 19.333 8.943 -18.091 824 HG2 LYS 111 HG2 LYS 111 19.120 7.431 -20.022 825 HG3 LYS 111 HG3 LYS 111 18.159 8.651 -20.888 826 HD2 LYS 111 HD2 LYS 111 20.060 10.237 -20.746 827 HD3 LYS 111 HD3 LYS 111 21.041 8.994 -19.947 828 HE2 LYS 111 HE2 LYS 111 19.806 8.753 -22.725 829 HE3 LYS 111 HE3 LYS 111 21.495 9.169 -22.396 830 HZ1 LYS 111 HZ1 LYS 111 21.739 7.037 -21.314 831 HZ2 LYS 111 HZ2 LYS 111 20.175 6.644 -21.644 832 HZ3 LYS 111 HZ3 LYS 111 21.247 6.849 -22.871 833 H ALA 112 H ALA 112 15.867 10.571 -17.663 834 HA ALA 112 HA ALA 112 16.672 10.688 -14.889 835 HB1 ALA 112 HB1 ALA 112 14.463 12.112 -16.424 836 HB2 ALA 112 HB2 ALA 112 15.046 12.552 -14.802 837 HB3 ALA 112 HB3 ALA 112 16.131 12.690 -16.197 838 H LEU 113 H LEU 113 13.793 9.460 -16.648 839 HA LEU 113 HA LEU 113 12.442 8.832 -14.131 840 HB2 LEU 113 HB2 LEU 113 11.837 8.504 -17.065 841 HB3 LEU 113 HB3 LEU 113 10.937 7.548 -15.889 842 HG LEU 113 HG LEU 113 9.819 9.685 -16.558 843 HD11 LEU 113 HD11 LEU 113 9.098 10.252 -14.292 844 HD12 LEU 113 HD12 LEU 113 9.285 8.496 -14.460 845 HD13 LEU 113 HD13 LEU 113 10.522 9.443 -13.598 846 HD21 LEU 113 HD21 LEU 113 11.849 11.142 -16.621 847 HD22 LEU 113 HD22 LEU 113 10.550 11.795 -15.600 848 HD23 LEU 113 HD23 LEU 113 11.957 11.025 -14.848 849 H ALA 114 H ALA 114 14.760 7.227 -16.257 850 HA ALA 114 HA ALA 114 14.151 4.575 -15.284 851 HB1 ALA 114 HB1 ALA 114 16.693 5.758 -16.480 852 HB2 ALA 114 HB2 ALA 114 16.394 4.028 -16.201 853 HB3 ALA 114 HB3 ALA 114 15.395 4.921 -17.367 854 H ALA 115 H ALA 115 15.909 7.352 -14.031 855 HA ALA 115 HA ALA 115 17.199 5.783 -11.914 856 HB1 ALA 115 HB1 ALA 115 17.060 8.783 -12.396 857 HB2 ALA 115 HB2 ALA 115 18.118 7.943 -11.242 858 HB3 ALA 115 HB3 ALA 115 18.334 7.694 -12.992 859 H LEU 116 H LEU 116 14.201 7.604 -12.351 860 HA LEU 116 HA LEU 116 13.796 7.789 -9.433 861 HB2 LEU 116 HB2 LEU 116 12.180 8.718 -11.828 862 HB3 LEU 116 HB3 LEU 116 11.646 8.903 -10.153 863 HG LEU 116 HG LEU 116 14.239 10.070 -11.261 864 HD11 LEU 116 HD11 LEU 116 11.554 11.373 -10.645 865 HD12 LEU 116 HD12 LEU 116 13.037 12.223 -11.143 866 HD13 LEU 116 HD13 LEU 116 12.234 11.101 -12.264 867 HD21 LEU 116 HD21 LEU 116 14.355 9.687 -8.835 868 HD22 LEU 116 HD22 LEU 116 14.168 11.421 -9.167 869 HD23 LEU 116 HD23 LEU 116 12.770 10.471 -8.620 870 H LEU 117 H LEU 117 13.108 5.496 -11.916 871 HA LEU 117 HA LEU 117 10.810 4.431 -10.348 872 HB2 LEU 117 HB2 LEU 117 11.557 4.315 -13.262 873 HB3 LEU 117 HB3 LEU 117 10.535 3.058 -12.567 874 HG LEU 117 HG LEU 117 8.841 4.615 -11.908 875 HD11 LEU 117 HD11 LEU 117 8.948 7.028 -12.600 876 HD12 LEU 117 HD12 LEU 117 10.051 6.612 -11.279 877 HD13 LEU 117 HD13 LEU 117 10.674 6.817 -12.940 878 HD21 LEU 117 HD21 LEU 117 8.853 3.767 -14.230 879 HD22 LEU 117 HD22 LEU 117 8.150 5.390 -14.148 880 HD23 LEU 117 HD23 LEU 117 9.816 5.174 -14.736 881 H VAL 118 H VAL 118 13.863 4.110 -9.939 882 HA VAL 118 HA VAL 118 14.493 1.371 -10.456 883 HB VAL 118 HB VAL 118 16.294 1.716 -8.801 884 HG11 VAL 118 HG11 VAL 118 15.902 4.039 -10.724 885 HG12 VAL 118 HG12 VAL 118 17.447 3.516 -10.015 886 HG13 VAL 118 HG13 VAL 118 16.575 2.439 -11.128 887 HG21 VAL 118 HG21 VAL 118 15.083 3.157 -7.189 888 HG22 VAL 118 HG22 VAL 118 16.588 3.927 -7.738 889 HG23 VAL 118 HG23 VAL 118 15.029 4.466 -8.390 Start of MODEL 11 1 H1 MET 1 H1 NME 1 6.475 -2.373 -0.661 2 H2 MET 1 H2 NME 1 6.851 -0.984 0.145 3 H3 MET 1 H3 NME 1 8.022 -2.096 -0.176 4 HA MET 1 HA NME 1 8.218 -0.237 -1.644 5 HB2 MET 1 HB2 NME 1 8.883 -2.500 -2.406 6 HB3 MET 1 HB3 NME 1 7.247 -2.765 -3.042 7 HG2 MET 1 HG2 NME 1 7.529 -0.838 -4.561 8 HG3 MET 1 HG3 NME 1 9.144 -0.549 -3.912 9 HE1 MET 1 HE1 NME 1 11.226 -2.066 -4.328 10 HE2 MET 1 HE2 NME 1 10.391 -3.488 -3.658 11 HE3 MET 1 HE3 NME 1 11.197 -3.593 -5.236 12 H SER 2 H SER 2 7.310 1.213 -3.107 13 HA SER 2 HA SER 2 4.396 0.969 -3.628 14 HB2 SER 2 HB2 SER 2 4.085 3.319 -2.989 15 HB3 SER 2 HB3 SER 2 4.724 2.385 -1.618 16 HG SER 2 HG SER 2 5.818 4.398 -1.990 17 H ALA 3 H ALA 3 7.427 1.285 -4.926 18 HA ALA 3 HA ALA 3 8.338 2.113 -6.805 19 HB1 ALA 3 HB1 ALA 3 5.500 1.919 -7.862 20 HB2 ALA 3 HB2 ALA 3 6.991 1.966 -8.830 21 HB3 ALA 3 HB3 ALA 3 6.669 0.581 -7.758 22 H LEU 4 H LEU 4 6.897 4.068 -4.865 23 HA LEU 4 HA LEU 4 6.332 6.249 -4.732 24 HB2 LEU 4 HB2 LEU 4 8.155 7.771 -5.345 25 HB3 LEU 4 HB3 LEU 4 8.717 6.358 -4.451 26 HG LEU 4 HG LEU 4 8.815 6.241 -7.455 27 HD11 LEU 4 HD11 LEU 4 11.025 7.364 -7.410 28 HD12 LEU 4 HD12 LEU 4 9.706 8.474 -6.973 29 HD13 LEU 4 HD13 LEU 4 10.759 7.803 -5.708 30 HD21 LEU 4 HD21 LEU 4 9.538 4.315 -6.007 31 HD22 LEU 4 HD22 LEU 4 10.874 4.993 -6.965 32 HD23 LEU 4 HD23 LEU 4 10.730 5.389 -5.241 33 H THR 5 H THR 5 4.483 5.571 -6.333 34 HA THR 5 HA THR 5 4.746 6.496 -9.048 35 HB THR 5 HB THR 5 2.157 6.265 -8.902 36 HG1 THR 5 HG1 THR 5 1.581 4.836 -7.210 37 HG21 THR 5 HG21 THR 5 4.042 3.908 -8.509 38 HG22 THR 5 HG22 THR 5 2.384 3.826 -9.161 39 HG23 THR 5 HG23 THR 5 3.640 4.708 -10.052 40 H GLN 6 H GLN 6 4.466 8.219 -6.165 41 HA GLN 6 HA GLN 6 2.875 10.374 -7.438 42 HB2 GLN 6 HB2 GLN 6 3.557 9.753 -4.514 43 HB3 GLN 6 HB3 GLN 6 2.736 11.200 -5.052 44 HG2 GLN 6 HG2 GLN 6 0.933 9.779 -4.483 45 HG3 GLN 6 HG3 GLN 6 1.060 9.558 -6.234 46 HE21 GLN 6 HE21 GLN 6 0.679 6.150 -5.153 47 HE22 GLN 6 HE22 GLN 6 -0.250 7.591 -5.511 48 H ILE 7 H ILE 7 3.955 11.964 -8.322 49 HA ILE 7 HA ILE 7 6.623 12.699 -7.202 50 HB ILE 7 HB ILE 7 5.798 12.791 -10.114 51 HG12 ILE 7 HG12 ILE 7 5.801 10.448 -9.423 52 HG13 ILE 7 HG13 ILE 7 7.144 10.789 -10.494 53 HG21 ILE 7 HG21 ILE 7 8.475 13.063 -8.685 54 HG22 ILE 7 HG22 ILE 7 8.261 13.008 -10.450 55 HG23 ILE 7 HG23 ILE 7 7.571 14.349 -9.512 56 HD11 ILE 7 HD11 ILE 7 7.865 9.349 -8.639 57 HD12 ILE 7 HD12 ILE 7 8.680 10.919 -8.531 58 HD13 ILE 7 HD13 ILE 7 7.298 10.545 -7.461 59 H LEU 8 H LEU 8 6.782 14.792 -6.587 60 HA LEU 8 HA LEU 8 4.648 16.678 -7.361 61 HB2 LEU 8 HB2 LEU 8 5.734 16.214 -4.969 62 HB3 LEU 8 HB3 LEU 8 6.949 17.345 -5.537 63 HG LEU 8 HG LEU 8 3.967 17.813 -5.152 64 HD11 LEU 8 HD11 LEU 8 6.448 19.079 -3.911 65 HD12 LEU 8 HD12 LEU 8 4.767 19.493 -3.532 66 HD13 LEU 8 HD13 LEU 8 5.387 17.879 -3.129 67 HD21 LEU 8 HD21 LEU 8 4.526 19.099 -7.117 68 HD22 LEU 8 HD22 LEU 8 4.441 20.201 -5.738 69 HD23 LEU 8 HD23 LEU 8 6.031 19.695 -6.360 70 H ILE 9 H ILE 9 5.000 18.399 -8.749 71 HA ILE 9 HA ILE 9 7.693 18.610 -9.997 72 HB ILE 9 HB ILE 9 4.916 19.430 -10.907 73 HG12 ILE 9 HG12 ILE 9 6.886 17.406 -12.052 74 HG13 ILE 9 HG13 ILE 9 5.552 16.985 -10.969 75 HG21 ILE 9 HG21 ILE 9 7.583 19.758 -12.360 76 HG22 ILE 9 HG22 ILE 9 5.967 20.135 -13.012 77 HG23 ILE 9 HG23 ILE 9 6.610 21.082 -11.679 78 HD11 ILE 9 HD11 ILE 9 4.916 16.610 -13.310 79 HD12 ILE 9 HD12 ILE 9 3.918 17.882 -12.581 80 HD13 ILE 9 HD13 ILE 9 5.242 18.305 -13.699 81 H VAL 10 H VAL 10 8.911 20.406 -9.736 82 HA VAL 10 HA VAL 10 7.613 22.867 -8.671 83 HB VAL 10 HB VAL 10 10.317 21.789 -7.812 84 HG11 VAL 10 HG11 VAL 10 8.595 24.096 -6.820 85 HG12 VAL 10 HG12 VAL 10 10.134 23.563 -6.093 86 HG13 VAL 10 HG13 VAL 10 10.108 24.235 -7.738 87 HG21 VAL 10 HG21 VAL 10 7.656 21.745 -6.321 88 HG22 VAL 10 HG22 VAL 10 8.575 20.333 -6.889 89 HG23 VAL 10 HG23 VAL 10 9.246 21.362 -5.612 90 H GLU 11 H GLU 11 7.918 24.481 -10.091 91 HA GLU 11 HA GLU 11 10.468 24.743 -11.538 92 HB2 GLU 11 HB2 GLU 11 9.119 23.179 -12.911 93 HB3 GLU 11 HB3 GLU 11 7.788 24.338 -12.915 94 HG2 GLU 11 HG2 GLU 11 8.983 24.455 -15.009 95 HG3 GLU 11 HG3 GLU 11 9.187 25.968 -14.122 96 H ASP 12 H ASP 12 10.892 26.871 -12.113 97 HA ASP 12 HA ASP 12 9.136 28.821 -10.819 98 HB2 ASP 12 HB2 ASP 12 11.572 28.672 -10.356 99 HB3 ASP 12 HB3 ASP 12 11.894 29.156 -12.029 100 H GLU 13 H GLU 13 9.026 27.550 -13.821 101 HA GLU 13 HA GLU 13 8.007 30.100 -14.950 102 HB2 GLU 13 HB2 GLU 13 9.824 28.107 -16.362 103 HB3 GLU 13 HB3 GLU 13 8.932 29.411 -17.168 104 HG2 GLU 13 HG2 GLU 13 10.092 31.085 -15.757 105 HG3 GLU 13 HG3 GLU 13 10.991 29.789 -14.951 106 HA PRO 14 HA PRO 14 4.518 27.526 -15.534 107 HB2 PRO 14 HB2 PRO 14 2.983 29.063 -17.180 108 HB3 PRO 14 HB3 PRO 14 3.384 29.566 -15.504 109 HG2 PRO 14 HG2 PRO 14 4.801 30.379 -18.066 110 HG3 PRO 14 HG3 PRO 14 4.165 31.448 -16.770 111 HD2 PRO 14 HD2 PRO 14 6.776 30.676 -16.837 112 HD3 PRO 14 HD3 PRO 14 5.892 30.809 -15.281 113 H LEU 15 H LEU 15 6.472 28.482 -18.330 114 HA LEU 15 HA LEU 15 5.009 26.768 -20.179 115 HB2 LEU 15 HB2 LEU 15 6.166 28.810 -20.915 116 HB3 LEU 15 HB3 LEU 15 7.713 28.150 -20.362 117 HG LEU 15 HG LEU 15 7.542 26.317 -22.014 118 HD11 LEU 15 HD11 LEU 15 4.989 27.743 -22.881 119 HD12 LEU 15 HD12 LEU 15 5.791 26.431 -23.776 120 HD13 LEU 15 HD13 LEU 15 5.091 26.105 -22.185 121 HD21 LEU 15 HD21 LEU 15 7.843 27.703 -24.030 122 HD22 LEU 15 HD22 LEU 15 7.092 29.085 -23.203 123 HD23 LEU 15 HD23 LEU 15 8.646 28.435 -22.624 124 H ILE 16 H ILE 16 7.947 26.542 -18.154 125 HA ILE 16 HA ILE 16 8.631 23.920 -19.252 126 HB ILE 16 HB ILE 16 9.705 25.459 -16.851 127 HG12 ILE 16 HG12 ILE 16 10.056 26.718 -18.911 128 HG13 ILE 16 HG13 ILE 16 11.582 26.067 -18.300 129 HG21 ILE 16 HG21 ILE 16 10.779 23.024 -18.337 130 HG22 ILE 16 HG22 ILE 16 11.690 23.960 -17.132 131 HG23 ILE 16 HG23 ILE 16 10.221 23.089 -16.652 132 HD11 ILE 16 HD11 ILE 16 9.945 24.896 -20.587 133 HD12 ILE 16 HD12 ILE 16 11.433 25.850 -20.736 134 HD13 ILE 16 HD13 ILE 16 11.495 24.251 -19.976 135 H ALA 17 H ALA 17 6.759 25.243 -16.535 136 HA ALA 17 HA ALA 17 6.644 22.814 -15.020 137 HB1 ALA 17 HB1 ALA 17 4.658 25.117 -15.231 138 HB2 ALA 17 HB2 ALA 17 4.726 23.903 -13.929 139 HB3 ALA 17 HB3 ALA 17 6.054 25.063 -14.133 140 H MET 18 H MET 18 4.782 24.117 -17.768 141 HA MET 18 HA MET 18 2.768 22.043 -17.703 142 HB2 MET 18 HB2 MET 18 2.425 24.285 -18.691 143 HB3 MET 18 HB3 MET 18 3.650 23.926 -19.927 144 HG2 MET 18 HG2 MET 18 2.267 22.046 -20.742 145 HG3 MET 18 HG3 MET 18 1.086 22.354 -19.462 146 HE1 MET 18 HE1 MET 18 3.021 25.025 -21.717 147 HE2 MET 18 HE2 MET 18 2.727 23.615 -22.770 148 HE3 MET 18 HE3 MET 18 1.882 25.153 -23.070 149 H MET 19 H MET 19 5.988 22.419 -19.175 150 HA MET 19 HA MET 19 5.683 20.144 -20.942 151 HB2 MET 19 HB2 MET 19 7.247 22.039 -21.334 152 HB3 MET 19 HB3 MET 19 8.185 21.529 -19.909 153 HG2 MET 19 HG2 MET 19 8.606 19.340 -20.976 154 HG3 MET 19 HG3 MET 19 7.623 19.811 -22.362 155 HE1 MET 19 HE1 MET 19 10.266 21.983 -20.326 156 HE2 MET 19 HE2 MET 19 10.898 20.320 -20.350 157 HE3 MET 19 HE3 MET 19 11.736 21.609 -21.248 158 H LEU 20 H LEU 20 6.793 20.632 -17.581 159 HA LEU 20 HA LEU 20 7.907 17.987 -17.307 160 HB2 LEU 20 HB2 LEU 20 7.277 20.324 -15.585 161 HB3 LEU 20 HB3 LEU 20 7.123 18.764 -14.768 162 HG LEU 20 HG LEU 20 9.379 19.817 -14.557 163 HD11 LEU 20 HD11 LEU 20 8.996 17.407 -14.241 164 HD12 LEU 20 HD12 LEU 20 9.281 17.129 -15.974 165 HD13 LEU 20 HD13 LEU 20 10.596 17.727 -14.934 166 HD21 LEU 20 HD21 LEU 20 10.938 19.723 -16.424 167 HD22 LEU 20 HD22 LEU 20 9.666 19.108 -17.506 168 HD23 LEU 20 HD23 LEU 20 9.563 20.755 -16.840 169 H GLU 21 H GLU 21 4.626 19.342 -17.026 170 HA GLU 21 HA GLU 21 3.520 16.891 -15.911 171 HB2 GLU 21 HB2 GLU 21 2.259 19.314 -17.263 172 HB3 GLU 21 HB3 GLU 21 1.338 17.963 -16.582 173 HG2 GLU 21 HG2 GLU 21 2.368 18.365 -14.363 174 HG3 GLU 21 HG3 GLU 21 3.261 19.739 -15.025 175 H ASP 22 H ASP 22 4.436 18.009 -19.127 176 HA ASP 22 HA ASP 22 2.671 16.188 -20.516 177 HB2 ASP 22 HB2 ASP 22 3.590 18.269 -21.521 178 HB3 ASP 22 HB3 ASP 22 5.211 17.560 -21.464 179 H PHE 23 H PHE 23 6.165 16.083 -19.527 180 HA PHE 23 HA PHE 23 6.471 13.408 -20.606 181 HB2 PHE 23 HB2 PHE 23 8.153 15.132 -18.771 182 HB3 PHE 23 HB3 PHE 23 8.594 13.482 -19.213 183 HD1 PHE 23 HD1 PHE 23 8.877 12.871 -21.649 184 HD2 PHE 23 HD2 PHE 23 8.624 16.943 -20.289 185 HE1 PHE 23 HE1 PHE 23 9.888 13.647 -23.777 186 HE2 PHE 23 HE2 PHE 23 9.613 17.716 -22.422 187 HZ PHE 23 HZ PHE 23 10.252 16.075 -24.165 188 H LEU 24 H LEU 24 5.086 14.689 -17.681 189 HA LEU 24 HA LEU 24 5.491 12.351 -16.058 190 HB2 LEU 24 HB2 LEU 24 4.787 14.677 -15.281 191 HB3 LEU 24 HB3 LEU 24 3.192 14.345 -15.973 192 HG LEU 24 HG LEU 24 3.083 12.299 -14.461 193 HD11 LEU 24 HD11 LEU 24 5.505 12.064 -13.998 194 HD12 LEU 24 HD12 LEU 24 5.514 13.661 -13.217 195 HD13 LEU 24 HD13 LEU 24 4.602 12.319 -12.492 196 HD21 LEU 24 HD21 LEU 24 3.410 15.018 -13.117 197 HD22 LEU 24 HD22 LEU 24 1.942 14.429 -13.928 198 HD23 LEU 24 HD23 LEU 24 2.529 13.617 -12.463 199 H GLU 25 H GLU 25 3.179 13.267 -18.597 200 HA GLU 25 HA GLU 25 1.467 10.947 -18.104 201 HB2 GLU 25 HB2 GLU 25 1.574 13.037 -20.316 202 HB3 GLU 25 HB3 GLU 25 0.360 11.751 -20.225 203 HG2 GLU 25 HG2 GLU 25 0.828 13.874 -18.089 204 HG3 GLU 25 HG3 GLU 25 -0.463 13.906 -19.298 205 H VAL 26 H VAL 26 4.309 11.711 -20.058 206 HA VAL 26 HA VAL 26 3.992 9.490 -21.886 207 HB VAL 26 HB VAL 26 6.397 11.149 -21.035 208 HG11 VAL 26 HG11 VAL 26 6.147 9.098 -23.275 209 HG12 VAL 26 HG12 VAL 26 7.496 10.241 -23.073 210 HG13 VAL 26 HG13 VAL 26 7.217 8.984 -21.855 211 HG21 VAL 26 HG21 VAL 26 4.708 11.121 -23.579 212 HG22 VAL 26 HG22 VAL 26 4.597 12.339 -22.299 213 HG23 VAL 26 HG23 VAL 26 6.089 12.185 -23.251 214 H LEU 27 H LEU 27 5.118 9.863 -18.583 215 HA LEU 27 HA LEU 27 6.264 7.150 -18.568 216 HB2 LEU 27 HB2 LEU 27 7.436 9.050 -17.491 217 HB3 LEU 27 HB3 LEU 27 6.062 9.277 -16.402 218 HG LEU 27 HG LEU 27 6.465 7.080 -15.374 219 HD11 LEU 27 HD11 LEU 27 8.507 5.786 -15.982 220 HD12 LEU 27 HD12 LEU 27 7.327 5.836 -17.306 221 HD13 LEU 27 HD13 LEU 27 8.768 6.880 -17.362 222 HD21 LEU 27 HD21 LEU 27 7.671 9.053 -14.522 223 HD22 LEU 27 HD22 LEU 27 8.630 7.562 -14.339 224 HD23 LEU 27 HD23 LEU 27 9.011 8.708 -15.645 225 H ASP 28 H ASP 28 3.197 8.408 -18.449 226 HA ASP 28 HA ASP 28 1.236 7.870 -17.491 227 HB2 ASP 28 HB2 ASP 28 1.742 5.844 -18.819 228 HB3 ASP 28 HB3 ASP 28 2.436 5.083 -17.376 229 H LYS 29 H LYS 29 3.117 8.976 -15.745 230 HA LYS 29 HA LYS 29 3.101 7.482 -13.229 231 HB2 LYS 29 HB2 LYS 29 5.035 8.798 -14.178 232 HB3 LYS 29 HB3 LYS 29 4.100 10.269 -13.916 233 HG2 LYS 29 HG2 LYS 29 5.745 9.924 -12.155 234 HG3 LYS 29 HG3 LYS 29 4.118 9.830 -11.463 235 HD2 LYS 29 HD2 LYS 29 4.251 7.471 -11.203 236 HD3 LYS 29 HD3 LYS 29 5.566 7.320 -12.383 237 HE2 LYS 29 HE2 LYS 29 6.952 8.762 -10.756 238 HE3 LYS 29 HE3 LYS 29 5.682 8.431 -9.571 239 HZ1 LYS 29 HZ1 LYS 29 6.124 6.046 -9.985 240 HZ2 LYS 29 HZ2 LYS 29 7.361 6.441 -10.985 241 HZ3 LYS 29 HZ3 LYS 29 7.431 6.831 -9.384 242 H THR 30 H THR 30 2.241 8.419 -11.217 243 HA THR 30 HA THR 30 -0.363 9.675 -11.754 244 HB THR 30 HB THR 30 0.814 8.430 -9.239 245 HG1 THR 30 HG1 THR 30 -0.650 6.798 -9.802 246 HG21 THR 30 HG21 THR 30 -0.891 10.120 -8.665 247 HG22 THR 30 HG22 THR 30 -2.000 9.435 -9.874 248 HG23 THR 30 HG23 THR 30 -1.540 8.484 -8.436 249 HA PRO 31 HA PRO 31 1.406 13.595 -10.429 250 HB2 PRO 31 HB2 PRO 31 -0.719 15.186 -10.958 251 HB3 PRO 31 HB3 PRO 31 0.222 14.435 -12.290 252 HG2 PRO 31 HG2 PRO 31 -2.356 13.430 -11.041 253 HG3 PRO 31 HG3 PRO 31 -2.000 13.662 -12.784 254 HD2 PRO 31 HD2 PRO 31 -1.730 11.231 -11.566 255 HD3 PRO 31 HD3 PRO 31 -0.594 11.767 -12.837 256 H VAL 32 H VAL 32 1.114 15.029 -8.644 257 HA VAL 32 HA VAL 32 -1.125 14.414 -6.792 258 HB VAL 32 HB VAL 32 0.424 14.387 -4.880 259 HG11 VAL 32 HG11 VAL 32 -0.255 12.284 -6.219 260 HG12 VAL 32 HG12 VAL 32 1.428 12.307 -6.830 261 HG13 VAL 32 HG13 VAL 32 1.097 12.176 -5.088 262 HG21 VAL 32 HG21 VAL 32 2.297 15.691 -5.799 263 HG22 VAL 32 HG22 VAL 32 2.864 14.081 -5.298 264 HG23 VAL 32 HG23 VAL 32 2.603 14.426 -7.014 265 H GLY 33 H GLY 33 1.112 16.686 -8.214 266 HA2 GLY 33 HA2 GLY 33 -0.442 18.907 -7.816 267 HA3 GLY 33 HA3 GLY 33 0.568 18.852 -6.361 268 H THR 34 H THR 34 0.748 20.978 -8.070 269 HA THR 34 HA THR 34 3.583 20.769 -8.859 270 HB THR 34 HB THR 34 1.416 21.962 -10.640 271 HG1 THR 34 HG1 THR 34 1.562 19.706 -10.762 272 HG21 THR 34 HG21 THR 34 4.443 21.821 -10.945 273 HG22 THR 34 HG22 THR 34 3.305 22.292 -12.235 274 HG23 THR 34 HG23 THR 34 3.452 23.287 -10.774 275 H VAL 35 H VAL 35 4.706 22.644 -8.343 276 HA VAL 35 HA VAL 35 3.145 24.980 -7.392 277 HB VAL 35 HB VAL 35 4.584 25.098 -5.375 278 HG11 VAL 35 HG11 VAL 35 3.016 22.495 -5.577 279 HG12 VAL 35 HG12 VAL 35 3.423 23.374 -4.094 280 HG13 VAL 35 HG13 VAL 35 2.308 24.101 -5.276 281 HG21 VAL 35 HG21 VAL 35 6.466 23.701 -6.155 282 HG22 VAL 35 HG22 VAL 35 5.790 23.087 -4.631 283 HG23 VAL 35 HG23 VAL 35 5.411 22.265 -6.153 284 H ASP 36 H ASP 36 4.517 26.912 -7.072 285 HA ASP 36 HA ASP 36 6.720 26.922 -9.062 286 HB2 ASP 36 HB2 ASP 36 6.068 29.149 -9.652 287 HB3 ASP 36 HB3 ASP 36 4.633 28.128 -9.717 288 H THR 37 H THR 37 6.400 26.828 -5.832 289 HA THR 37 HA THR 37 8.806 28.523 -5.421 290 HB THR 37 HB THR 37 6.409 28.483 -3.549 291 HG1 THR 37 HG1 THR 37 5.965 29.644 -5.433 292 HG21 THR 37 HG21 THR 37 8.549 28.888 -2.402 293 HG22 THR 37 HG22 THR 37 8.967 30.140 -3.600 294 HG23 THR 37 HG23 THR 37 7.605 30.379 -2.476 295 H VAL 38 H VAL 38 10.260 27.692 -3.883 296 HA VAL 38 HA VAL 38 10.041 24.819 -3.553 297 HB VAL 38 HB VAL 38 12.280 25.002 -2.564 298 HG11 VAL 38 HG11 VAL 38 11.987 24.953 -5.021 299 HG12 VAL 38 HG12 VAL 38 11.915 26.728 -5.054 300 HG13 VAL 38 HG13 VAL 38 13.409 25.911 -4.552 301 HG21 VAL 38 HG21 VAL 38 12.022 27.144 -1.338 302 HG22 VAL 38 HG22 VAL 38 13.416 27.185 -2.427 303 HG23 VAL 38 HG23 VAL 38 11.917 28.014 -2.887 304 H ALA 39 H ALA 39 9.323 27.598 -1.532 305 HA ALA 39 HA ALA 39 9.363 26.093 0.955 306 HB1 ALA 39 HB1 ALA 39 8.078 28.753 0.206 307 HB2 ALA 39 HB2 ALA 39 8.278 28.127 1.860 308 HB3 ALA 39 HB3 ALA 39 9.707 28.536 0.881 309 H GLY 40 H GLY 40 7.077 26.679 -1.662 310 HA2 GLY 40 HA2 GLY 40 4.750 25.707 -0.182 311 HA3 GLY 40 HA3 GLY 40 4.861 26.074 -1.920 312 H ALA 41 H ALA 41 7.405 24.333 -2.025 313 HA ALA 41 HA ALA 41 6.058 21.836 -2.647 314 HB1 ALA 41 HB1 ALA 41 9.017 22.563 -2.590 315 HB2 ALA 41 HB2 ALA 41 8.294 21.126 -3.353 316 HB3 ALA 41 HB3 ALA 41 7.937 22.749 -3.989 317 H LEU 42 H LEU 42 8.125 23.106 -0.025 318 HA LEU 42 HA LEU 42 8.502 20.538 1.231 319 HB2 LEU 42 HB2 LEU 42 9.970 22.534 1.451 320 HB3 LEU 42 HB3 LEU 42 8.708 23.367 2.352 321 HG LEU 42 HG LEU 42 10.615 22.358 3.671 322 HD11 LEU 42 HD11 LEU 42 7.883 21.297 4.483 323 HD12 LEU 42 HD12 LEU 42 9.276 21.634 5.526 324 HD13 LEU 42 HD13 LEU 42 8.438 22.971 4.704 325 HD21 LEU 42 HD21 LEU 42 10.778 20.237 2.400 326 HD22 LEU 42 HD22 LEU 42 10.613 19.980 4.152 327 HD23 LEU 42 HD23 LEU 42 9.211 19.727 3.090 328 H ALA 43 H ALA 43 6.192 23.254 1.629 329 HA ALA 43 HA ALA 43 4.844 22.127 3.890 330 HB1 ALA 43 HB1 ALA 43 3.912 24.146 1.812 331 HB2 ALA 43 HB2 ALA 43 3.154 23.851 3.395 332 HB3 ALA 43 HB3 ALA 43 4.798 24.515 3.314 333 H ARG 44 H ARG 44 4.611 21.534 0.417 334 HA ARG 44 HA ARG 44 1.975 20.298 0.619 335 HB2 ARG 44 HB2 ARG 44 2.609 21.483 -1.404 336 HB3 ARG 44 HB3 ARG 44 4.051 20.478 -1.594 337 HG2 ARG 44 HG2 ARG 44 2.270 19.771 -3.134 338 HG3 ARG 44 HG3 ARG 44 2.665 18.497 -1.976 339 HD2 ARG 44 HD2 ARG 44 0.682 19.189 -0.599 340 HD3 ARG 44 HD3 ARG 44 0.295 20.406 -1.825 341 HE ARG 44 HE ARG 44 -0.399 18.716 -3.307 342 HH11 ARG 44 HH11 ARG 44 0.938 17.314 -0.341 343 HH12 ARG 44 HH12 ARG 44 0.258 15.738 -0.635 344 HH21 ARG 44 HH21 ARG 44 -1.196 16.617 -3.714 345 HH22 ARG 44 HH22 ARG 44 -0.940 15.340 -2.548 346 H VAL 45 H VAL 45 5.345 19.232 0.864 347 HA VAL 45 HA VAL 45 4.627 16.416 0.533 348 HB VAL 45 HB VAL 45 7.161 17.851 1.398 349 HG11 VAL 45 HG11 VAL 45 6.685 14.872 0.955 350 HG12 VAL 45 HG12 VAL 45 8.273 15.640 1.161 351 HG13 VAL 45 HG13 VAL 45 7.104 15.651 2.500 352 HG21 VAL 45 HG21 VAL 45 6.477 17.996 -1.018 353 HG22 VAL 45 HG22 VAL 45 7.980 17.076 -0.792 354 HG23 VAL 45 HG23 VAL 45 6.447 16.225 -1.088 355 H GLU 46 H GLU 46 4.808 18.744 3.187 356 HA GLU 46 HA GLU 46 4.771 16.695 5.248 357 HB2 GLU 46 HB2 GLU 46 4.149 19.673 5.271 358 HB3 GLU 46 HB3 GLU 46 4.109 18.652 6.717 359 HG2 GLU 46 HG2 GLU 46 6.537 19.079 4.931 360 HG3 GLU 46 HG3 GLU 46 6.261 19.848 6.495 361 H ASP 47 H ASP 47 2.418 17.946 3.066 362 HA ASP 47 HA ASP 47 0.114 17.362 4.748 363 HB2 ASP 47 HB2 ASP 47 0.134 19.095 2.966 364 HB3 ASP 47 HB3 ASP 47 0.326 17.823 1.751 365 H GLY 48 H GLY 48 2.366 15.503 2.977 366 HA2 GLY 48 HA2 GLY 48 2.505 13.205 2.775 367 HA3 GLY 48 HA3 GLY 48 0.879 13.054 3.452 368 H GLY 49 H GLY 49 1.085 11.331 1.612 369 HA2 GLY 49 HA2 GLY 49 0.003 10.604 -0.280 370 HA3 GLY 49 HA3 GLY 49 -0.545 12.259 -0.603 371 H ILE 50 H ILE 50 2.865 12.022 -0.070 372 HA ILE 50 HA ILE 50 3.390 11.866 -2.997 373 HB ILE 50 HB ILE 50 4.591 13.889 -1.066 374 HG12 ILE 50 HG12 ILE 50 2.456 14.089 -3.227 375 HG13 ILE 50 HG13 ILE 50 2.287 14.451 -1.506 376 HG21 ILE 50 HG21 ILE 50 4.907 13.544 -4.078 377 HG22 ILE 50 HG22 ILE 50 5.647 14.822 -3.094 378 HG23 ILE 50 HG23 ILE 50 6.146 13.153 -2.860 379 HD11 ILE 50 HD11 ILE 50 2.423 16.514 -2.774 380 HD12 ILE 50 HD12 ILE 50 3.880 16.347 -1.760 381 HD13 ILE 50 HD13 ILE 50 3.944 16.015 -3.515 382 H ASP 51 H ASP 51 5.391 10.993 -3.589 383 HA ASP 51 HA ASP 51 6.784 9.510 -1.401 384 HB2 ASP 51 HB2 ASP 51 5.709 8.579 -4.067 385 HB3 ASP 51 HB3 ASP 51 6.991 7.695 -3.243 386 H ALA 52 H ALA 52 7.089 11.562 -4.195 387 HA ALA 52 HA ALA 52 9.887 11.945 -3.606 388 HB1 ALA 52 HB1 ALA 52 9.108 10.703 -6.275 389 HB2 ALA 52 HB2 ALA 52 10.720 11.333 -5.855 390 HB3 ALA 52 HB3 ALA 52 10.069 9.916 -5.002 391 H ALA 53 H ALA 53 10.810 13.614 -5.301 392 HA ALA 53 HA ALA 53 8.700 15.159 -6.651 393 HB1 ALA 53 HB1 ALA 53 9.283 17.243 -5.459 394 HB2 ALA 53 HB2 ALA 53 8.649 16.024 -4.343 395 HB3 ALA 53 HB3 ALA 53 10.402 16.336 -4.414 396 H ILE 54 H ILE 54 9.611 17.004 -7.888 397 HA ILE 54 HA ILE 54 12.485 16.641 -8.613 398 HB ILE 54 HB ILE 54 10.147 17.303 -10.449 399 HG12 ILE 54 HG12 ILE 54 11.935 14.842 -10.295 400 HG13 ILE 54 HG13 ILE 54 10.244 14.917 -9.764 401 HG21 ILE 54 HG21 ILE 54 13.114 16.940 -11.053 402 HG22 ILE 54 HG22 ILE 54 11.835 17.277 -12.244 403 HG23 ILE 54 HG23 ILE 54 12.250 18.492 -11.031 404 HD11 ILE 54 HD11 ILE 54 9.564 15.521 -12.092 405 HD12 ILE 54 HD12 ILE 54 11.247 15.280 -12.618 406 HD13 ILE 54 HD13 ILE 54 10.320 13.916 -11.966 407 H LEU 55 H LEU 55 13.678 18.498 -8.558 408 HA LEU 55 HA LEU 55 12.193 20.959 -7.733 409 HB2 LEU 55 HB2 LEU 55 14.782 19.702 -6.808 410 HB3 LEU 55 HB3 LEU 55 14.515 21.432 -6.636 411 HG LEU 55 HG LEU 55 14.022 20.175 -4.584 412 HD11 LEU 55 HD11 LEU 55 11.569 21.480 -5.819 413 HD12 LEU 55 HD12 LEU 55 11.876 21.248 -4.085 414 HD13 LEU 55 HD13 LEU 55 12.916 22.334 -5.039 415 HD21 LEU 55 HD21 LEU 55 13.085 18.111 -5.661 416 HD22 LEU 55 HD22 LEU 55 12.069 18.769 -4.362 417 HD23 LEU 55 HD23 LEU 55 11.611 19.042 -6.048 418 H ASP 56 H ASP 56 12.460 22.762 -8.870 419 HA ASP 56 HA ASP 56 14.553 22.962 -10.921 420 HB2 ASP 56 HB2 ASP 56 12.309 23.771 -11.396 421 HB3 ASP 56 HB3 ASP 56 12.343 24.824 -9.970 422 H VAL 57 H VAL 57 16.403 24.193 -10.726 423 HA VAL 57 HA VAL 57 16.992 25.121 -7.974 424 HB VAL 57 HB VAL 57 18.891 24.585 -10.286 425 HG11 VAL 57 HG11 VAL 57 20.592 24.483 -8.463 426 HG12 VAL 57 HG12 VAL 57 19.877 26.092 -8.613 427 HG13 VAL 57 HG13 VAL 57 19.351 25.007 -7.301 428 HG21 VAL 57 HG21 VAL 57 18.106 22.877 -7.880 429 HG22 VAL 57 HG22 VAL 57 17.729 22.520 -9.582 430 HG23 VAL 57 HG23 VAL 57 19.412 22.502 -9.022 431 H ASN 58 H ASN 58 16.079 26.359 -11.020 432 HA ASN 58 HA ASN 58 17.484 28.908 -10.707 433 HB2 ASN 58 HB2 ASN 58 17.030 27.859 -12.934 434 HB3 ASN 58 HB3 ASN 58 15.297 28.079 -12.652 435 HD21 ASN 58 HD21 ASN 58 16.029 30.976 -14.680 436 HD22 ASN 58 HD22 ASN 58 15.627 29.275 -14.787 437 H LEU 59 H LEU 59 16.632 30.778 -9.867 438 HA LEU 59 HA LEU 59 13.771 31.051 -9.387 439 HB2 LEU 59 HB2 LEU 59 14.501 29.674 -7.460 440 HB3 LEU 59 HB3 LEU 59 15.745 30.868 -7.069 441 HG LEU 59 HG LEU 59 14.013 32.553 -6.601 442 HD11 LEU 59 HD11 LEU 59 12.043 30.305 -7.227 443 HD12 LEU 59 HD12 LEU 59 11.627 31.873 -6.497 444 HD13 LEU 59 HD13 LEU 59 12.238 31.809 -8.160 445 HD21 LEU 59 HD21 LEU 59 13.469 29.887 -5.231 446 HD22 LEU 59 HD22 LEU 59 14.784 31.001 -4.820 447 HD23 LEU 59 HD23 LEU 59 13.092 31.499 -4.579 448 H ARG 60 H ARG 60 13.217 33.208 -9.414 449 HA ARG 60 HA ARG 60 15.363 35.151 -9.854 450 HB2 ARG 60 HB2 ARG 60 12.340 35.266 -10.024 451 HB3 ARG 60 HB3 ARG 60 13.334 36.727 -10.050 452 HG2 ARG 60 HG2 ARG 60 12.922 36.128 -12.318 453 HG3 ARG 60 HG3 ARG 60 14.627 35.799 -11.974 454 HD2 ARG 60 HD2 ARG 60 14.084 33.386 -11.696 455 HD3 ARG 60 HD3 ARG 60 12.377 33.749 -12.030 456 HE ARG 60 HE ARG 60 14.059 34.718 -14.149 457 HH11 ARG 60 HH11 ARG 60 12.651 31.752 -12.823 458 HH12 ARG 60 HH12 ARG 60 12.719 30.911 -14.363 459 HH21 ARG 60 HH21 ARG 60 14.101 33.569 -16.140 460 HH22 ARG 60 HH22 ARG 60 13.497 31.925 -16.192 461 H GLY 61 H GLY 61 15.629 37.101 -8.684 462 HA2 GLY 61 HA2 GLY 61 15.144 38.487 -6.748 463 HA3 GLY 61 HA3 GLY 61 14.618 37.043 -5.873 464 H GLY 62 H GLY 62 16.117 37.774 -4.195 465 HA2 GLY 62 HA2 GLY 62 18.961 37.893 -4.695 466 HA3 GLY 62 HA3 GLY 62 18.146 37.887 -3.120 467 H GLU 63 H GLU 63 16.854 35.223 -4.511 468 HA GLU 63 HA GLU 63 18.715 33.449 -3.105 469 HB2 GLU 63 HB2 GLU 63 16.136 32.885 -4.610 470 HB3 GLU 63 HB3 GLU 63 17.043 31.704 -3.657 471 HG2 GLU 63 HG2 GLU 63 15.740 34.255 -2.614 472 HG3 GLU 63 HG3 GLU 63 15.158 32.610 -2.372 473 H LYS 64 H LYS 64 19.708 31.581 -4.057 474 HA LYS 64 HA LYS 64 19.913 31.512 -6.994 475 HB2 LYS 64 HB2 LYS 64 21.583 33.186 -6.060 476 HB3 LYS 64 HB3 LYS 64 22.406 31.831 -5.267 477 HG2 LYS 64 HG2 LYS 64 22.820 30.793 -7.473 478 HG3 LYS 64 HG3 LYS 64 21.868 32.078 -8.260 479 HD2 LYS 64 HD2 LYS 64 23.498 33.764 -7.474 480 HD3 LYS 64 HD3 LYS 64 24.420 32.494 -6.643 481 HE2 LYS 64 HE2 LYS 64 25.487 33.001 -8.767 482 HE3 LYS 64 HE3 LYS 64 24.808 31.366 -8.819 483 HZ1 LYS 64 HZ1 LYS 64 22.926 32.256 -10.027 484 HZ2 LYS 64 HZ2 LYS 64 23.554 33.775 -9.967 485 HZ3 LYS 64 HZ3 LYS 64 24.320 32.599 -10.821 486 H SER 65 H SER 65 19.473 29.884 -4.166 487 HA SER 65 HA SER 65 20.574 27.353 -5.272 488 HB2 SER 65 HB2 SER 65 20.973 28.324 -2.415 489 HB3 SER 65 HB3 SER 65 21.450 26.741 -3.065 490 HG SER 65 HG SER 65 23.164 28.263 -3.041 491 H THR 66 H THR 66 19.717 25.447 -4.028 492 HA THR 66 HA THR 66 17.005 25.947 -2.907 493 HB THR 66 HB THR 66 17.659 23.850 -5.011 494 HG1 THR 66 HG1 THR 66 16.203 26.282 -5.159 495 HG21 THR 66 HG21 THR 66 15.843 23.122 -3.540 496 HG22 THR 66 HG22 THR 66 15.058 24.711 -3.661 497 HG23 THR 66 HG23 THR 66 15.155 23.652 -5.086 498 HA PRO 67 HA PRO 67 19.585 23.057 -0.359 499 HB2 PRO 67 HB2 PRO 67 19.328 24.307 2.046 500 HB3 PRO 67 HB3 PRO 67 20.484 24.879 0.799 501 HG2 PRO 67 HG2 PRO 67 17.671 25.903 1.318 502 HG3 PRO 67 HG3 PRO 67 19.185 26.861 1.197 503 HD2 PRO 67 HD2 PRO 67 17.533 26.539 -0.939 504 HD3 PRO 67 HD3 PRO 67 19.311 26.535 -1.144 505 H VAL 68 H VAL 68 16.326 24.047 -0.590 506 HA VAL 68 HA VAL 68 15.196 22.673 1.653 507 HB VAL 68 HB VAL 68 13.992 23.368 -1.057 508 HG11 VAL 68 HG11 VAL 68 12.695 22.716 1.624 509 HG12 VAL 68 HG12 VAL 68 11.842 23.350 0.198 510 HG13 VAL 68 HG13 VAL 68 12.589 21.746 0.134 511 HG21 VAL 68 HG21 VAL 68 14.891 25.356 0.110 512 HG22 VAL 68 HG22 VAL 68 13.123 25.364 0.131 513 HG23 VAL 68 HG23 VAL 68 14.022 24.877 1.591 514 H ALA 69 H ALA 69 16.483 21.566 -1.422 515 HA ALA 69 HA ALA 69 14.987 19.137 -1.620 516 HB1 ALA 69 HB1 ALA 69 16.291 20.171 -3.457 517 HB2 ALA 69 HB2 ALA 69 17.801 19.795 -2.581 518 HB3 ALA 69 HB3 ALA 69 16.762 18.486 -3.184 519 H GLU 70 H GLU 70 17.769 20.112 0.342 520 HA GLU 70 HA GLU 70 18.629 17.420 0.964 521 HB2 GLU 70 HB2 GLU 70 19.130 20.090 2.340 522 HB3 GLU 70 HB3 GLU 70 19.958 18.572 2.728 523 HG2 GLU 70 HG2 GLU 70 20.896 18.436 0.484 524 HG3 GLU 70 HG3 GLU 70 19.961 19.841 -0.037 525 H ALA 71 H ALA 71 16.076 19.518 2.127 526 HA ALA 71 HA ALA 71 15.739 18.063 4.636 527 HB1 ALA 71 HB1 ALA 71 13.704 19.428 4.839 528 HB2 ALA 71 HB2 ALA 71 15.092 20.444 4.398 529 HB3 ALA 71 HB3 ALA 71 13.894 19.992 3.162 530 H LEU 72 H LEU 72 14.557 17.892 1.292 531 HA LEU 72 HA LEU 72 12.484 15.941 1.895 532 HB2 LEU 72 HB2 LEU 72 13.871 16.661 -0.721 533 HB3 LEU 72 HB3 LEU 72 12.397 15.693 -0.565 534 HG LEU 72 HG LEU 72 12.689 18.611 0.267 535 HD11 LEU 72 HD11 LEU 72 11.196 17.290 -2.033 536 HD12 LEU 72 HD12 LEU 72 11.191 19.025 -1.647 537 HD13 LEU 72 HD13 LEU 72 12.695 18.241 -2.180 538 HD21 LEU 72 HD21 LEU 72 11.048 17.449 1.689 539 HD22 LEU 72 HD22 LEU 72 10.223 18.516 0.540 540 HD23 LEU 72 HD23 LEU 72 10.266 16.763 0.242 541 H ALA 73 H ALA 73 15.942 15.838 0.995 542 HA ALA 73 HA ALA 73 15.978 12.969 0.636 543 HB1 ALA 73 HB1 ALA 73 17.687 14.402 -0.365 544 HB2 ALA 73 HB2 ALA 73 18.185 14.978 1.243 545 HB3 ALA 73 HB3 ALA 73 18.445 13.278 0.780 546 H ALA 74 H ALA 74 16.070 15.142 3.402 547 HA ALA 74 HA ALA 74 16.916 13.031 5.246 548 HB1 ALA 74 HB1 ALA 74 15.819 15.830 5.734 549 HB2 ALA 74 HB2 ALA 74 16.533 14.755 6.959 550 HB3 ALA 74 HB3 ALA 74 17.536 15.378 5.633 551 H ARG 75 H ARG 75 14.033 13.974 3.661 552 HA ARG 75 HA ARG 75 12.290 12.795 5.717 553 HB2 ARG 75 HB2 ARG 75 11.864 14.984 4.347 554 HB3 ARG 75 HB3 ARG 75 11.319 13.876 3.072 555 HG2 ARG 75 HG2 ARG 75 9.712 12.868 4.738 556 HG3 ARG 75 HG3 ARG 75 10.295 14.035 5.944 557 HD2 ARG 75 HD2 ARG 75 9.682 15.877 4.305 558 HD3 ARG 75 HD3 ARG 75 8.859 14.639 3.340 559 HE ARG 75 HE ARG 75 7.975 15.871 5.820 560 HH11 ARG 75 HH11 ARG 75 7.689 12.955 3.840 561 HH12 ARG 75 HH12 ARG 75 6.145 12.504 4.530 562 HH21 ARG 75 HH21 ARG 75 5.967 15.269 6.687 563 HH22 ARG 75 HH22 ARG 75 5.171 13.811 6.135 564 H ASP 76 H ASP 76 14.317 11.369 3.897 565 HA ASP 76 HA ASP 76 14.548 9.389 2.919 566 HB2 ASP 76 HB2 ASP 76 13.461 8.751 5.050 567 HB3 ASP 76 HB3 ASP 76 11.904 8.671 4.212 568 H ILE 77 H ILE 77 13.219 11.454 1.279 569 HA ILE 77 HA ILE 77 12.175 9.530 -0.730 570 HB ILE 77 HB ILE 77 10.705 11.259 -1.627 571 HG12 ILE 77 HG12 ILE 77 11.322 12.828 0.908 572 HG13 ILE 77 HG13 ILE 77 11.900 13.252 -0.719 573 HG21 ILE 77 HG21 ILE 77 10.169 10.658 1.312 574 HG22 ILE 77 HG22 ILE 77 8.953 10.986 0.050 575 HG23 ILE 77 HG23 ILE 77 9.926 9.510 -0.023 576 HD11 ILE 77 HD11 ILE 77 9.538 13.427 -1.491 577 HD12 ILE 77 HD12 ILE 77 8.995 13.118 0.179 578 HD13 ILE 77 HD13 ILE 77 9.934 14.574 -0.191 579 HA PRO 78 HA PRO 78 15.458 11.162 -3.141 580 HB2 PRO 78 HB2 PRO 78 14.896 10.124 -5.565 581 HB3 PRO 78 HB3 PRO 78 15.250 9.059 -4.161 582 HG2 PRO 78 HG2 PRO 78 12.532 9.888 -5.232 583 HG3 PRO 78 HG3 PRO 78 13.109 8.228 -4.859 584 HD2 PRO 78 HD2 PRO 78 11.642 9.712 -3.071 585 HD3 PRO 78 HD3 PRO 78 12.921 8.584 -2.542 586 H PHE 79 H PHE 79 15.973 12.610 -4.918 587 HA PHE 79 HA PHE 79 13.732 14.029 -6.172 588 HB2 PHE 79 HB2 PHE 79 14.467 16.212 -5.522 589 HB3 PHE 79 HB3 PHE 79 14.179 15.265 -4.071 590 HD1 PHE 79 HD1 PHE 79 17.004 16.211 -6.396 591 HD2 PHE 79 HD2 PHE 79 15.763 15.367 -2.363 592 HE1 PHE 79 HE1 PHE 79 19.252 16.815 -5.580 593 HE2 PHE 79 HE2 PHE 79 18.008 16.074 -1.545 594 HZ PHE 79 HZ PHE 79 19.737 16.799 -3.137 595 H VAL 80 H VAL 80 14.479 15.560 -7.858 596 HA VAL 80 HA VAL 80 17.159 14.976 -8.996 597 HB VAL 80 HB VAL 80 14.467 14.689 -10.382 598 HG11 VAL 80 HG11 VAL 80 17.234 14.847 -11.643 599 HG12 VAL 80 HG12 VAL 80 15.750 14.338 -12.479 600 HG13 VAL 80 HG13 VAL 80 15.890 15.997 -11.879 601 HG21 VAL 80 HG21 VAL 80 15.295 12.669 -9.269 602 HG22 VAL 80 HG22 VAL 80 15.433 12.489 -11.032 603 HG23 VAL 80 HG23 VAL 80 16.878 12.852 -10.063 604 H PHE 81 H PHE 81 18.029 16.734 -10.160 605 HA PHE 81 HA PHE 81 16.589 19.296 -9.705 606 HB2 PHE 81 HB2 PHE 81 19.498 18.678 -10.309 607 HB3 PHE 81 HB3 PHE 81 18.826 20.300 -10.190 608 HD1 PHE 81 HD1 PHE 81 17.072 20.141 -7.822 609 HD2 PHE 81 HD2 PHE 81 20.978 18.489 -8.525 610 HE1 PHE 81 HE1 PHE 81 17.552 20.241 -5.389 611 HE2 PHE 81 HE2 PHE 81 21.458 18.584 -6.098 612 HZ PHE 81 HZ PHE 81 19.742 19.469 -4.524 613 H ALA 82 H ALA 82 16.485 20.894 -11.336 614 HA ALA 82 HA ALA 82 17.381 20.115 -14.044 615 HB1 ALA 82 HB1 ALA 82 14.564 21.074 -13.372 616 HB2 ALA 82 HB2 ALA 82 15.224 20.848 -15.010 617 HB3 ALA 82 HB3 ALA 82 15.015 19.448 -13.931 618 H THR 83 H THR 83 18.676 21.700 -14.703 619 HA THR 83 HA THR 83 17.918 24.451 -14.793 620 HB THR 83 HB THR 83 18.417 24.316 -12.357 621 HG1 THR 83 HG1 THR 83 19.891 26.046 -12.403 622 HG21 THR 83 HG21 THR 83 20.121 22.515 -12.411 623 HG22 THR 83 HG22 THR 83 21.247 23.605 -13.253 624 HG23 THR 83 HG23 THR 83 20.730 23.971 -11.596 625 H GLY 84 H GLY 84 19.642 25.771 -15.817 626 HA2 GLY 84 HA2 GLY 84 21.416 24.182 -17.522 627 HA3 GLY 84 HA3 GLY 84 21.223 25.942 -17.535 628 H GLY 85 H GLY 85 23.713 24.185 -17.435 629 HA2 GLY 85 HA2 GLY 85 25.439 25.714 -15.951 630 HA3 GLY 85 HA3 GLY 85 24.801 24.577 -14.760 631 H SER 86 H SER 86 26.993 23.830 -14.546 632 HA SER 86 HA SER 86 27.644 21.690 -16.486 633 HB2 SER 86 HB2 SER 86 28.992 23.663 -17.126 634 HB3 SER 86 HB3 SER 86 29.617 23.772 -15.463 635 HG SER 86 HG SER 86 31.009 22.624 -16.898 636 H ASP 87 H ASP 87 29.162 20.095 -15.544 637 HA ASP 87 HA ASP 87 28.305 19.443 -12.876 638 HB2 ASP 87 HB2 ASP 87 29.633 17.424 -13.179 639 HB3 ASP 87 HB3 ASP 87 28.636 17.755 -14.603 640 H ASP 88 H ASP 88 30.736 21.529 -13.931 641 HA ASP 88 HA ASP 88 32.441 21.053 -11.555 642 HB2 ASP 88 HB2 ASP 88 32.760 22.888 -13.956 643 HB3 ASP 88 HB3 ASP 88 33.905 22.774 -12.613 644 H SER 89 H SER 89 29.580 22.521 -12.038 645 HA SER 89 HA SER 89 30.217 24.781 -10.208 646 HB2 SER 89 HB2 SER 89 28.330 24.845 -12.592 647 HB3 SER 89 HB3 SER 89 28.579 26.158 -11.421 648 HG SER 89 HG SER 89 30.558 25.028 -13.117 649 H VAL 90 H VAL 90 29.078 21.968 -9.841 650 HA VAL 90 HA VAL 90 26.594 22.818 -8.438 651 HB VAL 90 HB VAL 90 25.654 20.584 -8.982 652 HG11 VAL 90 HG11 VAL 90 26.174 22.377 -11.378 653 HG12 VAL 90 HG12 VAL 90 24.852 21.199 -11.192 654 HG13 VAL 90 HG13 VAL 90 24.917 22.621 -10.140 655 HG21 VAL 90 HG21 VAL 90 27.725 19.428 -9.661 656 HG22 VAL 90 HG22 VAL 90 26.511 19.385 -10.956 657 HG23 VAL 90 HG23 VAL 90 27.875 20.517 -11.063 658 H ASP 91 H ASP 91 25.975 21.578 -6.650 659 HA ASP 91 HA ASP 91 28.192 20.793 -4.978 660 HB2 ASP 91 HB2 ASP 91 26.223 22.084 -4.210 661 HB3 ASP 91 HB3 ASP 91 25.184 20.696 -4.555 662 H SER 92 H SER 92 27.970 18.722 -3.604 663 HA SER 92 HA SER 92 28.358 16.530 -5.355 664 HB2 SER 92 HB2 SER 92 28.563 15.220 -3.275 665 HB3 SER 92 HB3 SER 92 29.454 16.757 -3.170 666 HG SER 92 HG SER 92 28.184 16.349 -1.307 667 H ARG 93 H ARG 93 25.395 17.772 -3.999 668 HA ARG 93 HA ARG 93 23.935 15.256 -4.040 669 HB2 ARG 93 HB2 ARG 93 23.225 18.192 -3.856 670 HB3 ARG 93 HB3 ARG 93 21.961 16.976 -4.091 671 HG2 ARG 93 HG2 ARG 93 22.306 17.578 -1.708 672 HG3 ARG 93 HG3 ARG 93 22.526 15.852 -2.037 673 HD2 ARG 93 HD2 ARG 93 24.933 16.050 -1.915 674 HD3 ARG 93 HD3 ARG 93 24.836 17.816 -1.863 675 HE ARG 93 HE ARG 93 24.256 15.931 0.331 676 HH11 ARG 93 HH11 ARG 93 24.358 19.275 -0.821 677 HH12 ARG 93 HH12 ARG 93 23.993 19.947 0.752 678 HH21 ARG 93 HH21 ARG 93 23.903 16.857 2.398 679 HH22 ARG 93 HH22 ARG 93 23.786 18.594 2.562 680 H PHE 94 H PHE 94 24.790 17.710 -6.412 681 HA PHE 94 HA PHE 94 22.927 16.744 -8.456 682 HB2 PHE 94 HB2 PHE 94 25.420 18.475 -8.572 683 HB3 PHE 94 HB3 PHE 94 24.316 18.212 -9.916 684 HD1 PHE 94 HD1 PHE 94 24.319 19.494 -6.367 685 HD2 PHE 94 HD2 PHE 94 22.673 19.786 -10.329 686 HE1 PHE 94 HE1 PHE 94 23.026 21.497 -5.687 687 HE2 PHE 94 HE2 PHE 94 21.405 21.807 -9.654 688 HZ PHE 94 HZ PHE 94 21.571 22.655 -7.323 689 H ARG 95 H ARG 95 26.128 16.032 -7.225 690 HA ARG 95 HA ARG 95 26.908 14.481 -9.598 691 HB2 ARG 95 HB2 ARG 95 28.336 14.805 -6.935 692 HB3 ARG 95 HB3 ARG 95 29.028 14.212 -8.450 693 HG2 ARG 95 HG2 ARG 95 28.603 16.443 -9.500 694 HG3 ARG 95 HG3 ARG 95 27.930 17.018 -7.965 695 HD2 ARG 95 HD2 ARG 95 30.143 16.404 -6.873 696 HD3 ARG 95 HD3 ARG 95 30.785 16.142 -8.503 697 HE ARG 95 HE ARG 95 29.490 18.748 -7.898 698 HH11 ARG 95 HH11 ARG 95 32.490 16.954 -8.468 699 HH12 ARG 95 HH12 ARG 95 33.437 18.405 -8.702 700 HH21 ARG 95 HH21 ARG 95 30.739 20.589 -8.171 701 HH22 ARG 95 HH22 ARG 95 32.445 20.471 -8.551 702 H ASP 96 H ASP 96 25.027 13.910 -6.834 703 HA ASP 96 HA ASP 96 25.710 11.007 -6.851 704 HB2 ASP 96 HB2 ASP 96 26.092 12.203 -4.728 705 HB3 ASP 96 HB3 ASP 96 24.388 12.697 -4.702 706 H ARG 97 H ARG 97 23.216 13.314 -7.618 707 HA ARG 97 HA ARG 97 21.434 11.036 -8.286 708 HB2 ARG 97 HB2 ARG 97 20.692 13.517 -6.703 709 HB3 ARG 97 HB3 ARG 97 19.489 12.583 -7.612 710 HG2 ARG 97 HG2 ARG 97 20.210 10.516 -6.418 711 HG3 ARG 97 HG3 ARG 97 21.295 11.493 -5.414 712 HD2 ARG 97 HD2 ARG 97 18.296 11.971 -5.631 713 HD3 ARG 97 HD3 ARG 97 19.035 10.938 -4.400 714 HE ARG 97 HE ARG 97 19.050 13.854 -4.486 715 HH11 ARG 97 HH11 ARG 97 20.684 10.974 -3.228 716 HH12 ARG 97 HH12 ARG 97 21.343 11.811 -1.842 717 HH21 ARG 97 HH21 ARG 97 19.903 14.900 -2.648 718 HH22 ARG 97 HH22 ARG 97 20.923 14.023 -1.525 719 HA PRO 98 HA PRO 98 21.136 12.539 -12.242 720 HB2 PRO 98 HB2 PRO 98 18.136 12.625 -12.016 721 HB3 PRO 98 HB3 PRO 98 19.156 11.846 -13.273 722 HG2 PRO 98 HG2 PRO 98 18.033 10.342 -11.322 723 HG3 PRO 98 HG3 PRO 98 19.749 10.067 -11.785 724 HD2 PRO 98 HD2 PRO 98 18.669 11.653 -9.443 725 HD3 PRO 98 HD3 PRO 98 19.993 10.447 -9.482 726 H VAL 99 H VAL 99 20.795 14.290 -13.651 727 HA VAL 99 HA VAL 99 19.416 16.704 -12.674 728 HB VAL 99 HB VAL 99 21.343 18.125 -13.209 729 HG11 VAL 99 HG11 VAL 99 22.143 15.960 -11.229 730 HG12 VAL 99 HG12 VAL 99 22.751 17.626 -11.296 731 HG13 VAL 99 HG13 VAL 99 21.053 17.317 -10.872 732 HG21 VAL 99 HG21 VAL 99 22.478 16.683 -14.859 733 HG22 VAL 99 HG22 VAL 99 23.584 17.156 -13.553 734 HG23 VAL 99 HG23 VAL 99 22.888 15.523 -13.570 735 H LEU 100 H LEU 100 18.924 18.186 -14.399 736 HA LEU 100 HA LEU 100 19.489 17.284 -17.168 737 HB2 LEU 100 HB2 LEU 100 16.732 17.734 -15.955 738 HB3 LEU 100 HB3 LEU 100 17.037 17.740 -17.692 739 HG LEU 100 HG LEU 100 17.559 15.358 -15.865 740 HD11 LEU 100 HD11 LEU 100 15.594 14.410 -17.024 741 HD12 LEU 100 HD12 LEU 100 15.168 15.886 -16.126 742 HD13 LEU 100 HD13 LEU 100 15.362 15.943 -17.895 743 HD21 LEU 100 HD21 LEU 100 17.646 15.683 -18.898 744 HD22 LEU 100 HD22 LEU 100 19.047 15.375 -17.843 745 HD23 LEU 100 HD23 LEU 100 17.789 14.140 -18.021 746 H GLN 101 H GLN 101 19.211 18.921 -18.745 747 HA GLN 101 HA GLN 101 19.309 21.681 -17.722 748 HB2 GLN 101 HB2 GLN 101 19.539 20.554 -20.550 749 HB3 GLN 101 HB3 GLN 101 19.718 22.250 -20.096 750 HG2 GLN 101 HG2 GLN 101 21.926 21.466 -20.228 751 HG3 GLN 101 HG3 GLN 101 21.575 21.511 -18.500 752 HE21 GLN 101 HE21 GLN 101 23.215 18.313 -18.692 753 HE22 GLN 101 HE22 GLN 101 23.483 20.024 -18.429 754 H LYS 102 H LYS 102 17.882 23.314 -19.085 755 HA LYS 102 HA LYS 102 15.187 22.639 -18.435 756 HB2 LYS 102 HB2 LYS 102 16.329 24.889 -20.137 757 HB3 LYS 102 HB3 LYS 102 14.630 24.765 -19.664 758 HG2 LYS 102 HG2 LYS 102 16.956 24.911 -17.702 759 HG3 LYS 102 HG3 LYS 102 15.914 26.266 -18.176 760 HD2 LYS 102 HD2 LYS 102 13.929 25.030 -17.321 761 HD3 LYS 102 HD3 LYS 102 14.991 23.718 -16.772 762 HE2 LYS 102 HE2 LYS 102 16.228 25.332 -15.348 763 HE3 LYS 102 HE3 LYS 102 15.107 26.609 -15.836 764 HZ1 LYS 102 HZ1 LYS 102 13.322 25.366 -14.851 765 HZ2 LYS 102 HZ2 LYS 102 14.317 24.112 -14.482 766 HZ3 LYS 102 HZ3 LYS 102 14.512 25.556 -13.734 767 HA PRO 103 HA PRO 103 14.468 21.779 -23.105 768 HB2 PRO 103 HB2 PRO 103 17.136 20.653 -23.861 769 HB3 PRO 103 HB3 PRO 103 16.015 21.652 -24.840 770 HG2 PRO 103 HG2 PRO 103 18.290 22.728 -23.816 771 HG3 PRO 103 HG3 PRO 103 16.748 23.656 -23.775 772 HD2 PRO 103 HD2 PRO 103 17.979 21.975 -21.565 773 HD3 PRO 103 HD3 PRO 103 17.356 23.657 -21.477 774 H PHE 104 H PHE 104 13.290 19.921 -22.993 775 HA PHE 104 HA PHE 104 14.543 17.501 -21.767 776 HB2 PHE 104 HB2 PHE 104 11.759 18.647 -21.704 777 HB3 PHE 104 HB3 PHE 104 11.997 16.910 -21.571 778 HD1 PHE 104 HD1 PHE 104 10.843 17.003 -19.389 779 HD2 PHE 104 HD2 PHE 104 14.600 19.012 -20.042 780 HE1 PHE 104 HE1 PHE 104 11.245 17.063 -16.961 781 HE2 PHE 104 HE2 PHE 104 14.965 19.108 -17.605 782 HZ PHE 104 HZ PHE 104 13.300 18.121 -16.054 783 H THR 105 H THR 105 14.106 15.471 -22.679 784 HA THR 105 HA THR 105 12.851 15.384 -25.361 785 HB THR 105 HB THR 105 14.731 14.055 -26.239 786 HG1 THR 105 HG1 THR 105 16.679 14.065 -25.008 787 HG21 THR 105 HG21 THR 105 14.732 16.512 -26.612 788 HG22 THR 105 HG22 THR 105 15.708 16.718 -25.135 789 HG23 THR 105 HG23 THR 105 16.370 15.837 -26.532 790 H MET 106 H MET 106 12.349 13.116 -26.003 791 HA MET 106 HA MET 106 11.175 11.745 -23.774 792 HB2 MET 106 HB2 MET 106 11.591 10.931 -26.683 793 HB3 MET 106 HB3 MET 106 10.664 9.998 -25.501 794 HG2 MET 106 HG2 MET 106 9.101 11.287 -26.746 795 HG3 MET 106 HG3 MET 106 9.185 11.959 -25.120 796 HE1 MET 106 HE1 MET 106 8.327 15.100 -27.243 797 HE2 MET 106 HE2 MET 106 7.734 13.434 -27.453 798 HE3 MET 106 HE3 MET 106 7.918 14.116 -25.822 799 H ASP 107 H ASP 107 14.301 11.423 -25.418 800 HA ASP 107 HA ASP 107 14.798 8.806 -24.198 801 HB2 ASP 107 HB2 ASP 107 16.591 10.702 -25.758 802 HB3 ASP 107 HB3 ASP 107 17.025 9.063 -25.256 803 H GLY 108 H GLY 108 15.630 12.229 -23.573 804 HA2 GLY 108 HA2 GLY 108 17.693 11.555 -21.642 805 HA3 GLY 108 HA3 GLY 108 17.043 13.161 -22.025 806 H VAL 109 H VAL 109 14.216 12.341 -21.516 807 HA VAL 109 HA VAL 109 14.299 12.699 -18.605 808 HB VAL 109 HB VAL 109 11.996 12.634 -20.595 809 HG11 VAL 109 HG11 VAL 109 12.102 13.376 -17.642 810 HG12 VAL 109 HG12 VAL 109 10.736 13.718 -18.733 811 HG13 VAL 109 HG13 VAL 109 11.181 12.038 -18.369 812 HG21 VAL 109 HG21 VAL 109 13.597 14.550 -20.842 813 HG22 VAL 109 HG22 VAL 109 11.998 15.061 -20.262 814 HG23 VAL 109 HG23 VAL 109 13.362 14.933 -19.125 815 H ALA 110 H ALA 110 13.606 10.104 -20.938 816 HA ALA 110 HA ALA 110 12.185 8.449 -19.054 817 HB1 ALA 110 HB1 ALA 110 13.706 7.756 -21.601 818 HB2 ALA 110 HB2 ALA 110 12.590 6.676 -20.728 819 HB3 ALA 110 HB3 ALA 110 11.979 8.157 -21.483 820 H LYS 111 H LYS 111 15.620 9.001 -19.773 821 HA LYS 111 HA LYS 111 16.458 6.695 -18.152 822 HB2 LYS 111 HB2 LYS 111 17.987 8.944 -19.517 823 HB3 LYS 111 HB3 LYS 111 18.741 7.601 -18.636 824 HG2 LYS 111 HG2 LYS 111 17.702 5.972 -20.158 825 HG3 LYS 111 HG3 LYS 111 16.877 7.282 -21.031 826 HD2 LYS 111 HD2 LYS 111 19.081 8.257 -21.635 827 HD3 LYS 111 HD3 LYS 111 19.897 6.924 -20.790 828 HE2 LYS 111 HE2 LYS 111 18.781 5.299 -22.297 829 HE3 LYS 111 HE3 LYS 111 17.971 6.632 -23.137 830 HZ1 LYS 111 HZ1 LYS 111 19.941 5.914 -24.298 831 HZ2 LYS 111 HZ2 LYS 111 20.130 7.462 -23.776 832 HZ3 LYS 111 HZ3 LYS 111 20.882 6.229 -22.991 833 H ALA 112 H ALA 112 15.912 10.169 -17.717 834 HA ALA 112 HA ALA 112 17.435 10.285 -15.242 835 HB1 ALA 112 HB1 ALA 112 15.376 12.174 -16.446 836 HB2 ALA 112 HB2 ALA 112 16.447 12.539 -15.075 837 HB3 ALA 112 HB3 ALA 112 17.142 12.249 -16.685 838 H LEU 113 H LEU 113 13.985 9.818 -16.148 839 HA LEU 113 HA LEU 113 13.167 9.837 -13.343 840 HB2 LEU 113 HB2 LEU 113 11.692 9.090 -15.897 841 HB3 LEU 113 HB3 LEU 113 10.958 9.181 -14.286 842 HG LEU 113 HG LEU 113 12.270 11.504 -15.775 843 HD11 LEU 113 HD11 LEU 113 9.990 12.375 -15.929 844 HD12 LEU 113 HD12 LEU 113 10.082 10.777 -16.703 845 HD13 LEU 113 HD13 LEU 113 9.358 10.947 -15.083 846 HD21 LEU 113 HD21 LEU 113 11.302 12.888 -13.955 847 HD22 LEU 113 HD22 LEU 113 10.817 11.406 -13.100 848 HD23 LEU 113 HD23 LEU 113 12.544 11.781 -13.348 849 H ALA 114 H ALA 114 14.303 7.430 -15.680 850 HA ALA 114 HA ALA 114 13.411 5.177 -14.089 851 HB1 ALA 114 HB1 ALA 114 15.634 5.437 -16.156 852 HB2 ALA 114 HB2 ALA 114 15.008 3.908 -15.496 853 HB3 ALA 114 HB3 ALA 114 13.949 4.948 -16.472 854 H ALA 115 H ALA 115 16.078 7.464 -13.969 855 HA ALA 115 HA ALA 115 17.577 5.870 -12.023 856 HB1 ALA 115 HB1 ALA 115 19.130 7.777 -12.076 857 HB2 ALA 115 HB2 ALA 115 18.753 7.208 -13.715 858 HB3 ALA 115 HB3 ALA 115 17.987 8.690 -13.090 859 H LEU 116 H LEU 116 14.937 8.103 -11.982 860 HA LEU 116 HA LEU 116 15.429 9.121 -9.296 861 HB2 LEU 116 HB2 LEU 116 14.194 10.248 -11.196 862 HB3 LEU 116 HB3 LEU 116 12.870 9.109 -10.961 863 HG LEU 116 HG LEU 116 13.893 10.962 -8.762 864 HD11 LEU 116 HD11 LEU 116 13.168 12.264 -10.760 865 HD12 LEU 116 HD12 LEU 116 11.617 11.393 -10.737 866 HD13 LEU 116 HD13 LEU 116 12.054 12.465 -9.389 867 HD21 LEU 116 HD21 LEU 116 12.432 9.201 -7.874 868 HD22 LEU 116 HD22 LEU 116 11.526 10.712 -7.941 869 HD23 LEU 116 HD23 LEU 116 11.259 9.481 -9.194 870 H LEU 117 H LEU 117 13.736 6.406 -10.813 871 HA LEU 117 HA LEU 117 12.272 5.717 -8.395 872 HB2 LEU 117 HB2 LEU 117 12.399 4.780 -11.228 873 HB3 LEU 117 HB3 LEU 117 11.901 3.587 -10.022 874 HG LEU 117 HG LEU 117 10.111 5.048 -9.228 875 HD11 LEU 117 HD11 LEU 117 10.931 6.946 -11.471 876 HD12 LEU 117 HD12 LEU 117 9.503 7.104 -10.428 877 HD13 LEU 117 HD13 LEU 117 11.120 7.263 -9.732 878 HD21 LEU 117 HD21 LEU 117 9.730 3.444 -11.077 879 HD22 LEU 117 HD22 LEU 117 8.689 4.871 -11.237 880 HD23 LEU 117 HD23 LEU 117 10.139 4.708 -12.255 881 H VAL 118 H VAL 118 15.466 5.478 -8.842 882 HA VAL 118 HA VAL 118 15.614 2.941 -7.304 883 HB VAL 118 HB VAL 118 17.660 2.319 -8.520 884 HG11 VAL 118 HG11 VAL 118 15.280 2.742 -10.381 885 HG12 VAL 118 HG12 VAL 118 16.578 1.550 -10.582 886 HG13 VAL 118 HG13 VAL 118 15.449 1.409 -9.218 887 HG21 VAL 118 HG21 VAL 118 16.929 4.600 -10.399 888 HG22 VAL 118 HG22 VAL 118 18.336 4.568 -9.309 889 HG23 VAL 118 HG23 VAL 118 18.225 3.408 -10.650 Start of MODEL 12 1 H1 MET 1 H1 NME 1 3.837 0.930 -2.192 2 H2 MET 1 H2 NME 1 3.370 0.582 -0.650 3 H3 MET 1 H3 NME 1 3.628 -0.634 -1.733 4 HA MET 1 HA NME 1 5.663 1.201 -0.697 5 HB2 MET 1 HB2 NME 1 6.581 -0.722 0.493 6 HB3 MET 1 HB3 NME 1 4.916 -0.412 1.006 7 HG2 MET 1 HG2 NME 1 4.111 -2.223 -0.475 8 HG3 MET 1 HG3 NME 1 5.760 -2.499 -1.048 9 HE1 MET 1 HE1 NME 1 3.239 -2.787 1.937 10 HE2 MET 1 HE2 NME 1 4.257 -3.450 3.229 11 HE3 MET 1 HE3 NME 1 4.514 -1.781 2.678 12 H SER 2 H SER 2 7.898 0.352 -1.168 13 HA SER 2 HA SER 2 9.497 0.047 -2.717 14 HB2 SER 2 HB2 SER 2 7.771 -2.312 -3.524 15 HB3 SER 2 HB3 SER 2 9.498 -2.102 -3.883 16 HG SER 2 HG SER 2 9.136 -3.365 -2.005 17 H ALA 3 H ALA 3 7.155 1.769 -3.539 18 HA ALA 3 HA ALA 3 7.935 2.002 -6.369 19 HB1 ALA 3 HB1 ALA 3 5.958 0.492 -6.388 20 HB2 ALA 3 HB2 ALA 3 5.036 1.704 -5.470 21 HB3 ALA 3 HB3 ALA 3 5.590 2.066 -7.123 22 H LEU 4 H LEU 4 7.126 4.036 -7.320 23 HA LEU 4 HA LEU 4 6.327 6.105 -5.407 24 HB2 LEU 4 HB2 LEU 4 8.173 7.594 -6.122 25 HB3 LEU 4 HB3 LEU 4 8.699 6.232 -5.138 26 HG LEU 4 HG LEU 4 8.912 6.165 -8.171 27 HD11 LEU 4 HD11 LEU 4 10.917 7.168 -6.113 28 HD12 LEU 4 HD12 LEU 4 11.262 6.896 -7.833 29 HD13 LEU 4 HD13 LEU 4 10.098 8.154 -7.346 30 HD21 LEU 4 HD21 LEU 4 10.816 4.628 -7.617 31 HD22 LEU 4 HD22 LEU 4 10.327 4.700 -5.907 32 HD23 LEU 4 HD23 LEU 4 9.245 3.985 -7.129 33 H THR 5 H THR 5 4.400 5.743 -6.764 34 HA THR 5 HA THR 5 4.482 6.578 -9.541 35 HB THR 5 HB THR 5 1.894 6.630 -9.025 36 HG1 THR 5 HG1 THR 5 1.405 5.270 -7.275 37 HG21 THR 5 HG21 THR 5 1.813 4.188 -9.380 38 HG22 THR 5 HG22 THR 5 3.023 4.968 -10.414 39 HG23 THR 5 HG23 THR 5 3.545 4.073 -8.959 40 H GLN 6 H GLN 6 4.720 8.344 -6.662 41 HA GLN 6 HA GLN 6 3.342 10.647 -7.951 42 HB2 GLN 6 HB2 GLN 6 3.502 9.968 -4.981 43 HB3 GLN 6 HB3 GLN 6 2.734 11.384 -5.684 44 HG2 GLN 6 HG2 GLN 6 1.339 9.788 -7.137 45 HG3 GLN 6 HG3 GLN 6 2.009 8.449 -6.208 46 HE21 GLN 6 HE21 GLN 6 -1.256 8.973 -4.770 47 HE22 GLN 6 HE22 GLN 6 -0.445 8.273 -6.161 48 H ILE 7 H ILE 7 4.554 12.229 -8.521 49 HA ILE 7 HA ILE 7 7.138 12.666 -7.103 50 HB ILE 7 HB ILE 7 6.647 13.193 -10.042 51 HG12 ILE 7 HG12 ILE 7 6.253 10.810 -9.776 52 HG13 ILE 7 HG13 ILE 7 7.767 11.109 -10.622 53 HG21 ILE 7 HG21 ILE 7 9.162 12.824 -8.360 54 HG22 ILE 7 HG22 ILE 7 9.129 13.084 -10.120 55 HG23 ILE 7 HG23 ILE 7 8.539 14.348 -9.029 56 HD11 ILE 7 HD11 ILE 7 9.054 10.608 -8.605 57 HD12 ILE 7 HD12 ILE 7 7.554 10.437 -7.659 58 HD13 ILE 7 HD13 ILE 7 7.936 9.272 -8.942 59 H LEU 8 H LEU 8 7.492 14.741 -6.415 60 HA LEU 8 HA LEU 8 5.528 16.810 -7.140 61 HB2 LEU 8 HB2 LEU 8 6.637 16.279 -4.783 62 HB3 LEU 8 HB3 LEU 8 7.935 17.302 -5.397 63 HG LEU 8 HG LEU 8 5.014 18.009 -4.914 64 HD11 LEU 8 HD11 LEU 8 6.508 18.019 -2.951 65 HD12 LEU 8 HD12 LEU 8 7.640 19.091 -3.810 66 HD13 LEU 8 HD13 LEU 8 6.018 19.675 -3.385 67 HD21 LEU 8 HD21 LEU 8 5.667 20.357 -5.564 68 HD22 LEU 8 HD22 LEU 8 7.145 19.684 -6.289 69 HD23 LEU 8 HD23 LEU 8 5.531 19.230 -6.914 70 H ILE 9 H ILE 9 5.999 18.575 -8.430 71 HA ILE 9 HA ILE 9 8.565 18.456 -9.949 72 HB ILE 9 HB ILE 9 5.748 19.306 -10.668 73 HG12 ILE 9 HG12 ILE 9 7.478 17.149 -11.928 74 HG13 ILE 9 HG13 ILE 9 6.388 16.824 -10.568 75 HG21 ILE 9 HG21 ILE 9 8.273 19.434 -12.374 76 HG22 ILE 9 HG22 ILE 9 6.615 19.751 -12.943 77 HG23 ILE 9 HG23 ILE 9 7.352 20.831 -11.756 78 HD11 ILE 9 HD11 ILE 9 5.504 17.947 -13.259 79 HD12 ILE 9 HD12 ILE 9 5.291 16.276 -12.692 80 HD13 ILE 9 HD13 ILE 9 4.461 17.610 -11.865 81 H VAL 10 H VAL 10 9.917 20.151 -9.725 82 HA VAL 10 HA VAL 10 8.788 22.765 -8.847 83 HB VAL 10 HB VAL 10 11.391 21.581 -7.840 84 HG11 VAL 10 HG11 VAL 10 11.225 23.440 -6.208 85 HG12 VAL 10 HG12 VAL 10 11.306 24.026 -7.880 86 HG13 VAL 10 HG13 VAL 10 9.751 24.013 -7.013 87 HG21 VAL 10 HG21 VAL 10 9.627 20.226 -6.890 88 HG22 VAL 10 HG22 VAL 10 10.153 21.375 -5.641 89 HG23 VAL 10 HG23 VAL 10 8.643 21.660 -6.530 90 H GLU 11 H GLU 11 9.311 24.345 -10.225 91 HA GLU 11 HA GLU 11 11.875 24.218 -11.720 92 HB2 GLU 11 HB2 GLU 11 9.112 24.574 -12.944 93 HB3 GLU 11 HB3 GLU 11 10.631 24.842 -13.805 94 HG2 GLU 11 HG2 GLU 11 9.741 22.192 -12.598 95 HG3 GLU 11 HG3 GLU 11 9.618 22.634 -14.301 96 H ASP 12 H ASP 12 12.565 26.269 -12.545 97 HA ASP 12 HA ASP 12 11.536 28.554 -11.033 98 HB2 ASP 12 HB2 ASP 12 13.955 28.142 -11.307 99 HB3 ASP 12 HB3 ASP 12 13.788 28.309 -13.061 100 H GLU 13 H GLU 13 10.689 27.046 -13.939 101 HA GLU 13 HA GLU 13 9.413 29.548 -14.928 102 HB2 GLU 13 HB2 GLU 13 10.869 27.471 -16.602 103 HB3 GLU 13 HB3 GLU 13 9.863 28.785 -17.245 104 HG2 GLU 13 HG2 GLU 13 11.356 30.442 -16.153 105 HG3 GLU 13 HG3 GLU 13 12.382 29.121 -15.563 106 HA PRO 14 HA PRO 14 5.913 26.796 -14.536 107 HB2 PRO 14 HB2 PRO 14 4.651 28.841 -16.348 108 HB3 PRO 14 HB3 PRO 14 4.019 28.154 -14.818 109 HG2 PRO 14 HG2 PRO 14 5.073 30.647 -14.857 110 HG3 PRO 14 HG3 PRO 14 5.489 29.524 -13.519 111 HD2 PRO 14 HD2 PRO 14 7.111 30.158 -15.999 112 HD3 PRO 14 HD3 PRO 14 7.638 30.066 -14.289 113 H LEU 15 H LEU 15 7.252 27.947 -17.605 114 HA LEU 15 HA LEU 15 5.610 26.373 -19.341 115 HB2 LEU 15 HB2 LEU 15 6.924 28.333 -20.061 116 HB3 LEU 15 HB3 LEU 15 8.428 27.476 -19.683 117 HG LEU 15 HG LEU 15 7.911 25.785 -21.416 118 HD11 LEU 15 HD11 LEU 15 5.487 27.552 -21.959 119 HD12 LEU 15 HD12 LEU 15 6.048 26.222 -23.004 120 HD13 LEU 15 HD13 LEU 15 5.452 25.871 -21.371 121 HD21 LEU 15 HD21 LEU 15 8.215 27.265 -23.364 122 HD22 LEU 15 HD22 LEU 15 7.695 28.662 -22.390 123 HD23 LEU 15 HD23 LEU 15 9.206 27.809 -21.992 124 H ILE 16 H ILE 16 8.584 25.693 -17.495 125 HA ILE 16 HA ILE 16 8.946 23.109 -18.840 126 HB ILE 16 HB ILE 16 10.313 24.292 -16.397 127 HG12 ILE 16 HG12 ILE 16 10.664 25.729 -18.348 128 HG13 ILE 16 HG13 ILE 16 12.149 24.882 -17.917 129 HG21 ILE 16 HG21 ILE 16 11.027 21.929 -18.188 130 HG22 ILE 16 HG22 ILE 16 12.107 22.636 -16.964 131 HG23 ILE 16 HG23 ILE 16 10.594 21.871 -16.468 132 HD11 ILE 16 HD11 ILE 16 11.756 23.241 -19.745 133 HD12 ILE 16 HD12 ILE 16 10.258 24.106 -20.185 134 HD13 ILE 16 HD13 ILE 16 11.825 24.905 -20.355 135 H ALA 17 H ALA 17 7.336 24.417 -15.978 136 HA ALA 17 HA ALA 17 7.168 21.888 -14.596 137 HB1 ALA 17 HB1 ALA 17 5.517 24.433 -14.330 138 HB2 ALA 17 HB2 ALA 17 5.572 23.095 -13.160 139 HB3 ALA 17 HB3 ALA 17 7.026 24.075 -13.456 140 H MET 18 H MET 18 5.029 23.689 -16.865 141 HA MET 18 HA MET 18 2.876 21.758 -16.618 142 HB2 MET 18 HB2 MET 18 3.482 23.914 -18.676 143 HB3 MET 18 HB3 MET 18 1.994 22.947 -18.639 144 HG2 MET 18 HG2 MET 18 1.534 23.747 -16.340 145 HG3 MET 18 HG3 MET 18 2.978 24.764 -16.408 146 HE1 MET 18 HE1 MET 18 2.061 27.442 -19.088 147 HE2 MET 18 HE2 MET 18 3.254 26.886 -17.894 148 HE3 MET 18 HE3 MET 18 2.943 25.922 -19.360 149 H MET 19 H MET 19 5.742 22.151 -18.703 150 HA MET 19 HA MET 19 4.902 20.074 -20.536 151 HB2 MET 19 HB2 MET 19 6.522 21.985 -21.014 152 HB3 MET 19 HB3 MET 19 7.723 21.100 -20.045 153 HG2 MET 19 HG2 MET 19 8.029 20.581 -22.397 154 HG3 MET 19 HG3 MET 19 7.430 19.144 -21.570 155 HE1 MET 19 HE1 MET 19 7.484 19.367 -24.678 156 HE2 MET 19 HE2 MET 19 6.759 17.970 -23.841 157 HE3 MET 19 HE3 MET 19 5.867 18.788 -25.142 158 H LEU 20 H LEU 20 6.471 20.177 -17.395 159 HA LEU 20 HA LEU 20 7.698 17.591 -17.515 160 HB2 LEU 20 HB2 LEU 20 7.572 19.736 -15.694 161 HB3 LEU 20 HB3 LEU 20 6.667 18.467 -14.885 162 HG LEU 20 HG LEU 20 8.972 18.363 -14.191 163 HD11 LEU 20 HD11 LEU 20 8.472 16.099 -16.163 164 HD12 LEU 20 HD12 LEU 20 9.564 16.077 -14.755 165 HD13 LEU 20 HD13 LEU 20 7.807 16.195 -14.519 166 HD21 LEU 20 HD21 LEU 20 9.917 19.548 -16.136 167 HD22 LEU 20 HD22 LEU 20 10.818 18.075 -15.737 168 HD23 LEU 20 HD23 LEU 20 9.703 18.095 -17.132 169 H GLU 21 H GLU 21 4.464 18.803 -16.541 170 HA GLU 21 HA GLU 21 3.535 16.214 -15.645 171 HB2 GLU 21 HB2 GLU 21 1.993 18.702 -16.495 172 HB3 GLU 21 HB3 GLU 21 1.316 17.288 -15.667 173 HG2 GLU 21 HG2 GLU 21 2.923 17.681 -13.775 174 HG3 GLU 21 HG3 GLU 21 3.438 19.173 -14.567 175 H ASP 22 H ASP 22 3.870 17.758 -18.784 176 HA ASP 22 HA ASP 22 1.864 16.154 -20.108 177 HB2 ASP 22 HB2 ASP 22 2.701 18.344 -20.956 178 HB3 ASP 22 HB3 ASP 22 4.285 17.607 -21.246 179 H PHE 23 H PHE 23 5.437 15.795 -19.606 180 HA PHE 23 HA PHE 23 5.504 13.399 -21.245 181 HB2 PHE 23 HB2 PHE 23 7.435 14.648 -19.268 182 HB3 PHE 23 HB3 PHE 23 7.756 13.130 -20.111 183 HD1 PHE 23 HD1 PHE 23 7.466 13.180 -22.735 184 HD2 PHE 23 HD2 PHE 23 8.189 16.639 -20.288 185 HE1 PHE 23 HE1 PHE 23 8.355 14.393 -24.709 186 HE2 PHE 23 HE2 PHE 23 9.075 17.849 -22.267 187 HZ PHE 23 HZ PHE 23 9.174 16.721 -24.470 188 H LEU 24 H LEU 24 4.835 14.099 -17.823 189 HA LEU 24 HA LEU 24 5.088 11.294 -17.053 190 HB2 LEU 24 HB2 LEU 24 4.315 13.866 -15.735 191 HB3 LEU 24 HB3 LEU 24 3.629 12.373 -15.070 192 HG LEU 24 HG LEU 24 5.859 11.390 -14.833 193 HD11 LEU 24 HD11 LEU 24 7.885 12.773 -15.107 194 HD12 LEU 24 HD12 LEU 24 7.063 12.517 -16.658 195 HD13 LEU 24 HD13 LEU 24 6.906 14.076 -15.809 196 HD21 LEU 24 HD21 LEU 24 4.888 12.707 -12.978 197 HD22 LEU 24 HD22 LEU 24 6.657 12.859 -13.014 198 HD23 LEU 24 HD23 LEU 24 5.636 14.181 -13.633 199 H GLU 25 H GLU 25 2.644 13.215 -18.638 200 HA GLU 25 HA GLU 25 0.469 11.407 -17.931 201 HB2 GLU 25 HB2 GLU 25 0.181 13.826 -18.564 202 HB3 GLU 25 HB3 GLU 25 0.696 13.417 -20.207 203 HG2 GLU 25 HG2 GLU 25 -1.733 13.503 -20.098 204 HG3 GLU 25 HG3 GLU 25 -1.226 11.838 -20.396 205 H VAL 26 H VAL 26 2.974 11.645 -20.414 206 HA VAL 26 HA VAL 26 1.818 9.549 -22.091 207 HB VAL 26 HB VAL 26 4.540 10.913 -22.050 208 HG11 VAL 26 HG11 VAL 26 3.304 9.040 -24.113 209 HG12 VAL 26 HG12 VAL 26 4.777 10.004 -24.359 210 HG13 VAL 26 HG13 VAL 26 4.759 8.724 -23.137 211 HG21 VAL 26 HG21 VAL 26 2.628 12.394 -22.611 212 HG22 VAL 26 HG22 VAL 26 3.653 12.096 -24.028 213 HG23 VAL 26 HG23 VAL 26 2.104 11.237 -23.857 214 H LEU 27 H LEU 27 3.812 9.717 -19.236 215 HA LEU 27 HA LEU 27 4.696 6.910 -19.588 216 HB2 LEU 27 HB2 LEU 27 5.516 9.074 -17.624 217 HB3 LEU 27 HB3 LEU 27 6.134 7.413 -17.597 218 HG LEU 27 HG LEU 27 6.426 9.331 -19.954 219 HD11 LEU 27 HD11 LEU 27 8.781 9.446 -19.262 220 HD12 LEU 27 HD12 LEU 27 7.719 10.024 -17.960 221 HD13 LEU 27 HD13 LEU 27 8.441 8.401 -17.865 222 HD21 LEU 27 HD21 LEU 27 6.437 6.981 -20.673 223 HD22 LEU 27 HD22 LEU 27 8.081 7.651 -20.743 224 HD23 LEU 27 HD23 LEU 27 7.614 6.576 -19.406 225 H ASP 28 H ASP 28 1.902 8.105 -18.700 226 HA ASP 28 HA ASP 28 0.249 7.546 -17.278 227 HB2 ASP 28 HB2 ASP 28 0.657 5.432 -18.515 228 HB3 ASP 28 HB3 ASP 28 1.673 4.872 -17.179 229 H LYS 29 H LYS 29 2.426 8.901 -16.046 230 HA LYS 29 HA LYS 29 2.824 7.693 -13.411 231 HB2 LYS 29 HB2 LYS 29 4.175 9.546 -15.098 232 HB3 LYS 29 HB3 LYS 29 3.684 10.459 -13.668 233 HG2 LYS 29 HG2 LYS 29 5.247 7.843 -13.655 234 HG3 LYS 29 HG3 LYS 29 5.942 9.463 -13.448 235 HD2 LYS 29 HD2 LYS 29 4.447 9.793 -11.458 236 HD3 LYS 29 HD3 LYS 29 3.970 8.083 -11.590 237 HE2 LYS 29 HE2 LYS 29 6.812 9.115 -11.219 238 HE3 LYS 29 HE3 LYS 29 5.781 8.460 -9.939 239 HZ1 LYS 29 HZ1 LYS 29 7.237 6.778 -10.751 240 HZ2 LYS 29 HZ2 LYS 29 5.714 6.377 -11.207 241 HZ3 LYS 29 HZ3 LYS 29 6.757 6.998 -12.310 242 H THR 30 H THR 30 2.347 9.022 -11.414 243 HA THR 30 HA THR 30 -0.188 10.565 -11.746 244 HB THR 30 HB THR 30 0.605 8.901 -9.325 245 HG1 THR 30 HG1 THR 30 -0.916 7.448 -10.175 246 HG21 THR 30 HG21 THR 30 -1.009 10.720 -8.882 247 HG22 THR 30 HG22 THR 30 -2.010 10.163 -10.240 248 HG23 THR 30 HG23 THR 30 -1.797 9.133 -8.802 249 HA PRO 31 HA PRO 31 3.065 13.376 -9.978 250 HB2 PRO 31 HB2 PRO 31 2.277 15.630 -11.354 251 HB3 PRO 31 HB3 PRO 31 3.421 14.416 -12.010 252 HG2 PRO 31 HG2 PRO 31 0.433 14.610 -12.488 253 HG3 PRO 31 HG3 PRO 31 1.740 14.402 -13.703 254 HD2 PRO 31 HD2 PRO 31 0.331 12.283 -12.793 255 HD3 PRO 31 HD3 PRO 31 2.099 12.144 -13.054 256 H VAL 32 H VAL 32 2.686 15.170 -8.474 257 HA VAL 32 HA VAL 32 -0.124 15.063 -7.473 258 HB VAL 32 HB VAL 32 0.819 15.224 -5.207 259 HG11 VAL 32 HG11 VAL 32 2.054 12.957 -6.816 260 HG12 VAL 32 HG12 VAL 32 1.633 12.958 -5.090 261 HG13 VAL 32 HG13 VAL 32 0.344 13.019 -6.316 262 HG21 VAL 32 HG21 VAL 32 3.516 14.865 -6.590 263 HG22 VAL 32 HG22 VAL 32 2.986 16.334 -5.727 264 HG23 VAL 32 HG23 VAL 32 3.226 14.800 -4.851 265 H GLY 33 H GLY 33 2.302 17.230 -8.631 266 HA2 GLY 33 HA2 GLY 33 0.633 19.416 -8.667 267 HA3 GLY 33 HA3 GLY 33 1.387 19.511 -7.072 268 H THR 34 H THR 34 1.822 21.584 -8.613 269 HA THR 34 HA THR 34 4.697 21.325 -9.310 270 HB THR 34 HB THR 34 4.357 23.036 -11.078 271 HG1 THR 34 HG1 THR 34 1.609 22.454 -10.704 272 HG21 THR 34 HG21 THR 34 2.721 20.489 -11.452 273 HG22 THR 34 HG22 THR 34 3.324 21.540 -12.756 274 HG23 THR 34 HG23 THR 34 4.471 20.665 -11.720 275 H VAL 35 H VAL 35 5.966 23.038 -8.609 276 HA VAL 35 HA VAL 35 4.665 25.378 -7.366 277 HB VAL 35 HB VAL 35 5.955 25.116 -5.281 278 HG11 VAL 35 HG11 VAL 35 4.229 22.671 -5.851 279 HG12 VAL 35 HG12 VAL 35 4.621 23.337 -4.266 280 HG13 VAL 35 HG13 VAL 35 3.617 24.289 -5.387 281 HG21 VAL 35 HG21 VAL 35 7.772 23.673 -6.133 282 HG22 VAL 35 HG22 VAL 35 6.976 22.947 -4.721 283 HG23 VAL 35 HG23 VAL 35 6.604 22.341 -6.347 284 H ASP 36 H ASP 36 6.297 27.051 -6.755 285 HA ASP 36 HA ASP 36 8.713 26.869 -8.476 286 HB2 ASP 36 HB2 ASP 36 8.348 29.128 -9.233 287 HB3 ASP 36 HB3 ASP 36 6.903 28.166 -9.576 288 H THR 37 H THR 37 7.812 26.939 -5.371 289 HA THR 37 HA THR 37 10.257 28.365 -4.564 290 HB THR 37 HB THR 37 8.529 30.096 -4.447 291 HG1 THR 37 HG1 THR 37 10.046 30.160 -2.839 292 HG21 THR 37 HG21 THR 37 6.629 29.888 -2.900 293 HG22 THR 37 HG22 THR 37 6.531 28.656 -4.174 294 HG23 THR 37 HG23 THR 37 7.085 28.208 -2.539 295 H VAL 38 H VAL 38 10.915 27.828 -2.349 296 HA VAL 38 HA VAL 38 10.625 25.006 -1.935 297 HB VAL 38 HB VAL 38 12.082 25.387 0.014 298 HG11 VAL 38 HG11 VAL 38 12.916 27.047 -2.408 299 HG12 VAL 38 HG12 VAL 38 13.998 26.310 -1.211 300 HG13 VAL 38 HG13 VAL 38 13.030 25.277 -2.285 301 HG21 VAL 38 HG21 VAL 38 11.158 27.521 0.840 302 HG22 VAL 38 HG22 VAL 38 12.903 27.654 0.537 303 HG23 VAL 38 HG23 VAL 38 11.750 28.354 -0.617 304 H ALA 39 H ALA 39 8.968 27.818 -0.547 305 HA ALA 39 HA ALA 39 7.937 26.397 1.739 306 HB1 ALA 39 HB1 ALA 39 6.936 28.894 0.296 307 HB2 ALA 39 HB2 ALA 39 6.425 28.348 1.909 308 HB3 ALA 39 HB3 ALA 39 8.103 28.861 1.637 309 H GLY 40 H GLY 40 7.064 26.626 -1.656 310 HA2 GLY 40 HA2 GLY 40 4.348 25.655 -1.334 311 HA3 GLY 40 HA3 GLY 40 5.269 25.800 -2.846 312 H ALA 41 H ALA 41 7.586 24.204 -1.799 313 HA ALA 41 HA ALA 41 6.636 21.622 -2.601 314 HB1 ALA 41 HB1 ALA 41 9.201 22.435 -1.172 315 HB2 ALA 41 HB2 ALA 41 8.912 20.886 -1.990 316 HB3 ALA 41 HB3 ALA 41 8.961 22.392 -2.932 317 H LEU 42 H LEU 42 7.296 23.122 0.600 318 HA LEU 42 HA LEU 42 6.613 20.672 2.021 319 HB2 LEU 42 HB2 LEU 42 7.180 23.541 2.793 320 HB3 LEU 42 HB3 LEU 42 6.476 22.430 3.966 321 HG LEU 42 HG LEU 42 8.918 22.580 4.186 322 HD11 LEU 42 HD11 LEU 42 8.017 19.829 3.231 323 HD12 LEU 42 HD12 LEU 42 9.357 20.198 4.341 324 HD13 LEU 42 HD13 LEU 42 7.678 20.521 4.835 325 HD21 LEU 42 HD21 LEU 42 9.503 22.898 1.794 326 HD22 LEU 42 HD22 LEU 42 10.408 21.573 2.552 327 HD23 LEU 42 HD23 LEU 42 9.047 21.204 1.471 328 H ALA 43 H ALA 43 4.800 23.285 0.569 329 HA ALA 43 HA ALA 43 2.444 22.878 2.228 330 HB1 ALA 43 HB1 ALA 43 2.766 24.235 -0.483 331 HB2 ALA 43 HB2 ALA 43 1.366 24.360 0.607 332 HB3 ALA 43 HB3 ALA 43 2.930 25.029 1.102 333 H ARG 44 H ARG 44 3.788 21.384 -0.693 334 HA ARG 44 HA ARG 44 1.288 20.041 -1.393 335 HB2 ARG 44 HB2 ARG 44 4.190 19.552 -2.182 336 HB3 ARG 44 HB3 ARG 44 2.806 18.687 -2.872 337 HG2 ARG 44 HG2 ARG 44 3.204 21.703 -3.041 338 HG3 ARG 44 HG3 ARG 44 3.642 20.538 -4.305 339 HD2 ARG 44 HD2 ARG 44 1.262 19.792 -4.408 340 HD3 ARG 44 HD3 ARG 44 0.845 21.056 -3.229 341 HE ARG 44 HE ARG 44 2.243 22.325 -5.304 342 HH11 ARG 44 HH11 ARG 44 -0.782 20.536 -4.913 343 HH12 ARG 44 HH12 ARG 44 -1.577 21.364 -6.229 344 HH21 ARG 44 HH21 ARG 44 1.185 23.381 -7.031 345 HH22 ARG 44 HH22 ARG 44 -0.475 22.991 -7.409 346 H VAL 45 H VAL 45 4.150 19.367 0.599 347 HA VAL 45 HA VAL 45 3.482 16.594 1.073 348 HB VAL 45 HB VAL 45 5.294 18.570 2.520 349 HG11 VAL 45 HG11 VAL 45 5.024 15.552 2.869 350 HG12 VAL 45 HG12 VAL 45 6.339 16.550 3.530 351 HG13 VAL 45 HG13 VAL 45 4.677 16.797 4.093 352 HG21 VAL 45 HG21 VAL 45 5.940 17.962 0.178 353 HG22 VAL 45 HG22 VAL 45 7.085 17.333 1.380 354 HG23 VAL 45 HG23 VAL 45 5.891 16.246 0.637 355 H GLU 46 H GLU 46 2.487 19.676 2.456 356 HA GLU 46 HA GLU 46 1.345 18.458 4.851 357 HB2 GLU 46 HB2 GLU 46 2.341 20.764 4.713 358 HB3 GLU 46 HB3 GLU 46 0.974 21.245 3.699 359 HG2 GLU 46 HG2 GLU 46 0.613 21.916 6.026 360 HG3 GLU 46 HG3 GLU 46 -0.589 20.720 5.549 361 H ASP 47 H ASP 47 0.379 18.810 1.566 362 HA ASP 47 HA ASP 47 -2.504 18.801 2.254 363 HB2 ASP 47 HB2 ASP 47 -1.642 20.426 0.607 364 HB3 ASP 47 HB3 ASP 47 -1.082 19.092 -0.415 365 H GLY 48 H GLY 48 0.030 16.603 1.489 366 HA2 GLY 48 HA2 GLY 48 -1.555 14.312 1.736 367 HA3 GLY 48 HA3 GLY 48 -1.455 14.650 0.000 368 H GLY 49 H GLY 49 -0.429 12.294 0.777 369 HA2 GLY 49 HA2 GLY 49 2.366 12.423 1.511 370 HA3 GLY 49 HA3 GLY 49 1.487 11.000 0.929 371 H ILE 50 H ILE 50 4.161 11.819 0.195 372 HA ILE 50 HA ILE 50 3.839 11.916 -2.743 373 HB ILE 50 HB ILE 50 5.765 13.689 -1.184 374 HG12 ILE 50 HG12 ILE 50 3.212 14.351 -2.701 375 HG13 ILE 50 HG13 ILE 50 3.523 14.579 -0.969 376 HG21 ILE 50 HG21 ILE 50 5.207 13.469 -4.176 377 HG22 ILE 50 HG22 ILE 50 6.347 14.600 -3.399 378 HG23 ILE 50 HG23 ILE 50 6.659 12.870 -3.335 379 HD11 ILE 50 HD11 ILE 50 3.699 16.715 -2.040 380 HD12 ILE 50 HD12 ILE 50 5.338 16.214 -1.564 381 HD13 ILE 50 HD13 ILE 50 4.818 16.085 -3.263 382 H ASP 51 H ASP 51 5.542 10.760 -3.825 383 HA ASP 51 HA ASP 51 7.017 8.986 -1.945 384 HB2 ASP 51 HB2 ASP 51 6.291 8.580 -4.863 385 HB3 ASP 51 HB3 ASP 51 7.126 7.418 -3.824 386 H ALA 52 H ALA 52 7.505 11.373 -4.492 387 HA ALA 52 HA ALA 52 10.315 11.549 -3.758 388 HB1 ALA 52 HB1 ALA 52 9.560 10.620 -6.560 389 HB2 ALA 52 HB2 ALA 52 11.196 11.082 -6.022 390 HB3 ALA 52 HB3 ALA 52 10.415 9.649 -5.337 391 H ALA 53 H ALA 53 11.413 13.264 -5.293 392 HA ALA 53 HA ALA 53 9.473 15.097 -6.535 393 HB1 ALA 53 HB1 ALA 53 11.251 15.929 -4.209 394 HB2 ALA 53 HB2 ALA 53 10.248 17.020 -5.193 395 HB3 ALA 53 HB3 ALA 53 9.482 15.781 -4.169 396 H ILE 54 H ILE 54 10.518 16.858 -7.734 397 HA ILE 54 HA ILE 54 13.403 16.388 -8.324 398 HB ILE 54 HB ILE 54 11.226 17.169 -10.304 399 HG12 ILE 54 HG12 ILE 54 12.832 14.586 -10.036 400 HG13 ILE 54 HG13 ILE 54 11.114 14.783 -9.637 401 HG21 ILE 54 HG21 ILE 54 14.192 16.602 -10.695 402 HG22 ILE 54 HG22 ILE 54 13.028 17.031 -11.975 403 HG23 ILE 54 HG23 ILE 54 13.444 18.214 -10.734 404 HD11 ILE 54 HD11 ILE 54 12.361 15.053 -12.393 405 HD12 ILE 54 HD12 ILE 54 11.283 13.773 -11.817 406 HD13 ILE 54 HD13 ILE 54 10.660 15.424 -12.009 407 H LEU 55 H LEU 55 14.647 18.174 -8.072 408 HA LEU 55 HA LEU 55 13.226 20.753 -7.546 409 HB2 LEU 55 HB2 LEU 55 15.625 19.425 -6.241 410 HB3 LEU 55 HB3 LEU 55 15.372 21.165 -6.150 411 HG LEU 55 HG LEU 55 14.587 20.025 -4.141 412 HD11 LEU 55 HD11 LEU 55 12.384 21.106 -4.015 413 HD12 LEU 55 HD12 LEU 55 13.550 22.150 -4.864 414 HD13 LEU 55 HD13 LEU 55 12.328 21.239 -5.780 415 HD21 LEU 55 HD21 LEU 55 13.813 17.895 -5.229 416 HD22 LEU 55 HD22 LEU 55 12.645 18.613 -4.098 417 HD23 LEU 55 HD23 LEU 55 12.390 18.789 -5.837 418 H ASP 56 H ASP 56 13.637 22.346 -8.936 419 HA ASP 56 HA ASP 56 16.029 22.262 -10.631 420 HB2 ASP 56 HB2 ASP 56 13.890 22.939 -11.584 421 HB3 ASP 56 HB3 ASP 56 13.736 24.231 -10.382 422 H VAL 57 H VAL 57 17.902 23.193 -10.126 423 HA VAL 57 HA VAL 57 18.020 24.954 -7.758 424 HB VAL 57 HB VAL 57 19.333 22.838 -7.846 425 HG11 VAL 57 HG11 VAL 57 20.993 24.354 -9.907 426 HG12 VAL 57 HG12 VAL 57 21.398 22.786 -9.169 427 HG13 VAL 57 HG13 VAL 57 19.985 22.919 -10.232 428 HG21 VAL 57 HG21 VAL 57 21.009 25.366 -7.616 429 HG22 VAL 57 HG22 VAL 57 19.925 24.726 -6.356 430 HG23 VAL 57 HG23 VAL 57 21.349 23.796 -6.880 431 H ASN 58 H ASN 58 17.777 25.328 -11.057 432 HA ASN 58 HA ASN 58 19.867 27.244 -11.506 433 HB2 ASN 58 HB2 ASN 58 18.904 25.696 -13.213 434 HB3 ASN 58 HB3 ASN 58 17.406 26.636 -13.175 435 HD21 ASN 58 HD21 ASN 58 19.011 28.125 -16.032 436 HD22 ASN 58 HD22 ASN 58 17.942 26.825 -15.540 437 H LEU 59 H LEU 59 18.723 28.272 -9.295 438 HA LEU 59 HA LEU 59 16.687 30.250 -9.899 439 HB2 LEU 59 HB2 LEU 59 18.558 29.777 -7.555 440 HB3 LEU 59 HB3 LEU 59 17.463 31.151 -7.631 441 HG LEU 59 HG LEU 59 16.504 29.402 -6.272 442 HD11 LEU 59 HD11 LEU 59 15.003 30.826 -7.672 443 HD12 LEU 59 HD12 LEU 59 15.008 29.559 -8.924 444 HD13 LEU 59 HD13 LEU 59 14.324 29.219 -7.327 445 HD21 LEU 59 HD21 LEU 59 17.599 27.444 -7.344 446 HD22 LEU 59 HD22 LEU 59 15.849 27.231 -7.116 447 HD23 LEU 59 HD23 LEU 59 16.481 27.606 -8.727 448 H ARG 60 H ARG 60 17.023 32.562 -9.720 449 HA ARG 60 HA ARG 60 19.319 33.412 -11.302 450 HB2 ARG 60 HB2 ARG 60 16.966 34.957 -10.157 451 HB3 ARG 60 HB3 ARG 60 18.193 35.615 -11.255 452 HG2 ARG 60 HG2 ARG 60 17.577 33.899 -12.954 453 HG3 ARG 60 HG3 ARG 60 16.308 33.295 -11.864 454 HD2 ARG 60 HD2 ARG 60 15.324 34.788 -13.504 455 HD3 ARG 60 HD3 ARG 60 15.238 35.530 -11.893 456 HE ARG 60 HE ARG 60 17.622 36.334 -13.324 457 HH11 ARG 60 HH11 ARG 60 14.153 36.928 -13.091 458 HH12 ARG 60 HH12 ARG 60 14.271 38.565 -13.704 459 HH21 ARG 60 HH21 ARG 60 17.754 38.481 -14.090 460 HH22 ARG 60 HH22 ARG 60 16.297 39.442 -14.250 461 H GLY 61 H GLY 61 20.793 35.067 -10.737 462 HA2 GLY 61 HA2 GLY 61 22.041 36.409 -9.324 463 HA3 GLY 61 HA3 GLY 61 20.940 36.033 -7.989 464 H GLY 62 H GLY 62 21.955 33.135 -9.482 465 HA2 GLY 62 HA2 GLY 62 23.619 31.603 -9.023 466 HA3 GLY 62 HA3 GLY 62 24.513 32.854 -8.143 467 H GLU 63 H GLU 63 21.296 32.715 -7.027 468 HA GLU 63 HA GLU 63 22.105 31.629 -4.478 469 HB2 GLU 63 HB2 GLU 63 19.364 32.332 -5.606 470 HB3 GLU 63 HB3 GLU 63 19.696 31.897 -3.920 471 HG2 GLU 63 HG2 GLU 63 21.289 33.795 -3.749 472 HG3 GLU 63 HG3 GLU 63 20.900 34.264 -5.414 473 H LYS 64 H LYS 64 20.762 29.870 -3.404 474 HA LYS 64 HA LYS 64 20.434 27.582 -5.290 475 HB2 LYS 64 HB2 LYS 64 21.674 27.642 -2.512 476 HB3 LYS 64 HB3 LYS 64 21.338 26.167 -3.431 477 HG2 LYS 64 HG2 LYS 64 23.228 28.383 -4.327 478 HG3 LYS 64 HG3 LYS 64 23.698 26.853 -3.576 479 HD2 LYS 64 HD2 LYS 64 22.541 25.640 -5.478 480 HD3 LYS 64 HD3 LYS 64 22.301 27.211 -6.265 481 HE2 LYS 64 HE2 LYS 64 24.292 26.157 -7.174 482 HE3 LYS 64 HE3 LYS 64 24.759 27.584 -6.238 483 HZ1 LYS 64 HZ1 LYS 64 24.849 24.797 -5.266 484 HZ2 LYS 64 HZ2 LYS 64 26.146 25.660 -5.751 485 HZ3 LYS 64 HZ3 LYS 64 25.318 26.126 -4.414 486 H SER 65 H SER 65 19.163 25.794 -4.369 487 HA SER 65 HA SER 65 17.074 26.652 -2.442 488 HB2 SER 65 HB2 SER 65 15.384 25.558 -3.910 489 HB3 SER 65 HB3 SER 65 16.165 26.939 -4.707 490 HG SER 65 HG SER 65 16.070 25.081 -6.051 491 H THR 66 H THR 66 19.588 24.705 -2.812 492 HA THR 66 HA THR 66 18.775 22.055 -2.786 493 HB THR 66 HB THR 66 21.071 23.143 -1.137 494 HG1 THR 66 HG1 THR 66 22.204 23.221 -3.083 495 HG21 THR 66 HG21 THR 66 22.197 21.108 -1.987 496 HG22 THR 66 HG22 THR 66 20.708 20.690 -1.106 497 HG23 THR 66 HG23 THR 66 20.725 20.664 -2.880 498 HA PRO 67 HA PRO 67 18.705 22.394 2.103 499 HB2 PRO 67 HB2 PRO 67 17.054 24.921 2.185 500 HB3 PRO 67 HB3 PRO 67 18.203 24.289 3.407 501 HG2 PRO 67 HG2 PRO 67 19.002 26.262 1.757 502 HG3 PRO 67 HG3 PRO 67 20.084 24.845 2.017 503 HD2 PRO 67 HD2 PRO 67 18.152 25.340 -0.265 504 HD3 PRO 67 HD3 PRO 67 19.874 24.841 -0.344 505 H VAL 68 H VAL 68 16.140 23.074 -0.245 506 HA VAL 68 HA VAL 68 14.065 22.086 1.557 507 HB VAL 68 HB VAL 68 13.785 23.826 -0.311 508 HG11 VAL 68 HG11 VAL 68 13.455 21.295 -1.986 509 HG12 VAL 68 HG12 VAL 68 13.191 22.969 -2.517 510 HG13 VAL 68 HG13 VAL 68 14.832 22.403 -2.126 511 HG21 VAL 68 HG21 VAL 68 11.925 22.868 0.976 512 HG22 VAL 68 HG22 VAL 68 11.469 23.091 -0.726 513 HG23 VAL 68 HG23 VAL 68 11.862 21.470 -0.128 514 H ALA 69 H ALA 69 16.271 20.749 -0.839 515 HA ALA 69 HA ALA 69 14.794 18.273 -1.204 516 HB1 ALA 69 HB1 ALA 69 16.372 19.164 -2.892 517 HB2 ALA 69 HB2 ALA 69 17.715 18.979 -1.730 518 HB3 ALA 69 HB3 ALA 69 16.866 17.549 -2.327 519 H GLU 70 H GLU 70 17.273 19.530 0.996 520 HA GLU 70 HA GLU 70 17.816 16.918 2.162 521 HB2 GLU 70 HB2 GLU 70 18.618 19.743 2.937 522 HB3 GLU 70 HB3 GLU 70 19.158 18.276 3.788 523 HG2 GLU 70 HG2 GLU 70 20.101 17.388 1.677 524 HG3 GLU 70 HG3 GLU 70 19.569 18.829 0.815 525 H ALA 71 H ALA 71 15.420 19.411 2.589 526 HA ALA 71 HA ALA 71 14.635 18.543 5.255 527 HB1 ALA 71 HB1 ALA 71 12.642 19.932 4.818 528 HB2 ALA 71 HB2 ALA 71 14.133 20.811 4.401 529 HB3 ALA 71 HB3 ALA 71 13.123 20.106 3.115 530 H LEU 72 H LEU 72 13.859 17.710 1.872 531 HA LEU 72 HA LEU 72 11.747 15.848 2.595 532 HB2 LEU 72 HB2 LEU 72 13.464 16.189 0.100 533 HB3 LEU 72 HB3 LEU 72 12.135 15.029 0.234 534 HG LEU 72 HG LEU 72 11.853 18.047 0.545 535 HD11 LEU 72 HD11 LEU 72 11.087 16.164 -1.726 536 HD12 LEU 72 HD12 LEU 72 10.725 17.906 -1.650 537 HD13 LEU 72 HD13 LEU 72 12.409 17.358 -1.761 538 HD21 LEU 72 HD21 LEU 72 10.120 16.851 1.822 539 HD22 LEU 72 HD22 LEU 72 9.416 17.553 0.357 540 HD23 LEU 72 HD23 LEU 72 9.781 15.815 0.414 541 H ALA 73 H ALA 73 15.289 15.746 2.421 542 HA ALA 73 HA ALA 73 15.448 12.865 2.498 543 HB1 ALA 73 HB1 ALA 73 17.305 14.321 1.709 544 HB2 ALA 73 HB2 ALA 73 17.467 14.981 3.353 545 HB3 ALA 73 HB3 ALA 73 17.809 13.268 3.049 546 H ALA 74 H ALA 74 14.920 15.406 4.899 547 HA ALA 74 HA ALA 74 15.415 13.648 7.172 548 HB1 ALA 74 HB1 ALA 74 13.982 16.328 6.964 549 HB2 ALA 74 HB2 ALA 74 14.479 15.523 8.470 550 HB3 ALA 74 HB3 ALA 74 15.708 16.093 7.318 551 H ARG 75 H ARG 75 12.819 14.262 4.946 552 HA ARG 75 HA ARG 75 10.864 12.807 6.625 553 HB2 ARG 75 HB2 ARG 75 10.619 14.139 3.899 554 HB3 ARG 75 HB3 ARG 75 9.305 13.311 4.753 555 HG2 ARG 75 HG2 ARG 75 9.510 14.882 6.644 556 HG3 ARG 75 HG3 ARG 75 10.839 15.723 5.811 557 HD2 ARG 75 HD2 ARG 75 9.337 16.270 3.939 558 HD3 ARG 75 HD3 ARG 75 8.005 15.425 4.738 559 HE ARG 75 HE ARG 75 9.155 18.045 5.449 560 HH11 ARG 75 HH11 ARG 75 6.965 15.421 6.356 561 HH12 ARG 75 HH12 ARG 75 6.080 16.398 7.505 562 HH21 ARG 75 HH21 ARG 75 7.987 19.292 6.962 563 HH22 ARG 75 HH22 ARG 75 6.658 18.580 7.845 564 H ASP 76 H ASP 76 13.437 11.831 4.995 565 HA ASP 76 HA ASP 76 14.104 10.004 3.913 566 HB2 ASP 76 HB2 ASP 76 13.083 9.003 5.939 567 HB3 ASP 76 HB3 ASP 76 11.604 8.696 5.013 568 H ILE 77 H ILE 77 12.448 11.895 2.393 569 HA ILE 77 HA ILE 77 11.308 10.090 0.332 570 HB ILE 77 HB ILE 77 11.055 13.087 0.759 571 HG12 ILE 77 HG12 ILE 77 9.032 10.821 1.012 572 HG13 ILE 77 HG13 ILE 77 9.811 11.657 2.371 573 HG21 ILE 77 HG21 ILE 77 9.758 11.294 -1.337 574 HG22 ILE 77 HG22 ILE 77 9.448 13.032 -1.114 575 HG23 ILE 77 HG23 ILE 77 11.038 12.491 -1.648 576 HD11 ILE 77 HD11 ILE 77 8.812 13.807 1.599 577 HD12 ILE 77 HD12 ILE 77 7.933 12.914 0.331 578 HD13 ILE 77 HD13 ILE 77 7.602 12.579 2.039 579 HA PRO 78 HA PRO 78 15.131 10.853 -1.882 580 HB2 PRO 78 HB2 PRO 78 14.604 9.459 -4.151 581 HB3 PRO 78 HB3 PRO 78 14.851 8.636 -2.574 582 HG2 PRO 78 HG2 PRO 78 12.216 9.413 -3.875 583 HG3 PRO 78 HG3 PRO 78 12.692 7.808 -3.223 584 HD2 PRO 78 HD2 PRO 78 11.247 9.589 -1.745 585 HD3 PRO 78 HD3 PRO 78 12.506 8.563 -0.993 586 H PHE 79 H PHE 79 15.871 11.986 -3.810 587 HA PHE 79 HA PHE 79 13.842 13.382 -5.404 588 HB2 PHE 79 HB2 PHE 79 14.709 15.602 -4.843 589 HB3 PHE 79 HB3 PHE 79 14.052 14.811 -3.417 590 HD1 PHE 79 HD1 PHE 79 17.232 15.699 -5.158 591 HD2 PHE 79 HD2 PHE 79 15.393 14.389 -1.500 592 HE1 PHE 79 HE1 PHE 79 19.363 16.086 -3.948 593 HE2 PHE 79 HE2 PHE 79 17.525 14.810 -0.288 594 HZ PHE 79 HZ PHE 79 19.495 15.663 -1.503 595 H VAL 80 H VAL 80 14.878 14.813 -7.062 596 HA VAL 80 HA VAL 80 17.645 14.030 -7.807 597 HB VAL 80 HB VAL 80 15.227 13.975 -9.660 598 HG11 VAL 80 HG11 VAL 80 17.220 14.779 -10.829 599 HG12 VAL 80 HG12 VAL 80 18.187 13.446 -10.157 600 HG13 VAL 80 HG13 VAL 80 16.879 13.116 -11.325 601 HG21 VAL 80 HG21 VAL 80 15.306 11.978 -8.240 602 HG22 VAL 80 HG22 VAL 80 15.799 11.561 -9.894 603 HG23 VAL 80 HG23 VAL 80 17.030 11.745 -8.626 604 H PHE 81 H PHE 81 18.766 15.667 -8.941 605 HA PHE 81 HA PHE 81 17.582 18.352 -8.632 606 HB2 PHE 81 HB2 PHE 81 20.329 17.398 -9.466 607 HB3 PHE 81 HB3 PHE 81 19.873 19.089 -9.301 608 HD1 PHE 81 HD1 PHE 81 18.216 18.797 -6.698 609 HD2 PHE 81 HD2 PHE 81 22.075 17.331 -7.904 610 HE1 PHE 81 HE1 PHE 81 18.959 18.803 -4.337 611 HE2 PHE 81 HE2 PHE 81 22.827 17.366 -5.539 612 HZ PHE 81 HZ PHE 81 21.262 18.099 -3.750 613 H ALA 82 H ALA 82 17.612 19.917 -10.298 614 HA ALA 82 HA ALA 82 17.997 18.961 -13.070 615 HB1 ALA 82 HB1 ALA 82 15.583 18.763 -12.637 616 HB2 ALA 82 HB2 ALA 82 15.535 20.446 -12.067 617 HB3 ALA 82 HB3 ALA 82 15.918 20.093 -13.769 618 H THR 83 H THR 83 18.771 20.589 -14.463 619 HA THR 83 HA THR 83 18.915 23.360 -13.589 620 HB THR 83 HB THR 83 20.705 22.263 -12.226 621 HG1 THR 83 HG1 THR 83 22.270 23.764 -12.843 622 HG21 THR 83 HG21 THR 83 21.335 20.480 -13.830 623 HG22 THR 83 HG22 THR 83 21.990 21.712 -14.932 624 HG23 THR 83 HG23 THR 83 22.735 21.453 -13.339 625 H GLY 84 H GLY 84 20.402 24.613 -15.170 626 HA2 GLY 84 HA2 GLY 84 21.008 23.375 -17.723 627 HA3 GLY 84 HA3 GLY 84 19.622 24.479 -17.801 628 H GLY 85 H GLY 85 22.916 24.283 -18.181 629 HA2 GLY 85 HA2 GLY 85 23.629 26.792 -18.802 630 HA3 GLY 85 HA3 GLY 85 23.619 26.903 -17.036 631 H SER 86 H SER 86 25.938 27.352 -17.246 632 HA SER 86 HA SER 86 27.758 25.317 -18.177 633 HB2 SER 86 HB2 SER 86 28.197 27.679 -16.315 634 HB3 SER 86 HB3 SER 86 29.469 26.735 -17.110 635 HG SER 86 HG SER 86 28.611 27.406 -19.114 636 H ASP 87 H ASP 87 29.363 24.214 -16.748 637 HA ASP 87 HA ASP 87 27.865 22.688 -14.817 638 HB2 ASP 87 HB2 ASP 87 29.850 21.318 -14.689 639 HB3 ASP 87 HB3 ASP 87 29.528 21.723 -16.378 640 H ASP 88 H ASP 88 29.643 25.606 -14.503 641 HA ASP 88 HA ASP 88 30.532 25.081 -11.775 642 HB2 ASP 88 HB2 ASP 88 31.275 27.395 -11.800 643 HB3 ASP 88 HB3 ASP 88 31.806 26.549 -13.262 644 H SER 89 H SER 89 27.512 25.560 -13.077 645 HA SER 89 HA SER 89 26.436 27.358 -11.058 646 HB2 SER 89 HB2 SER 89 25.547 27.142 -13.383 647 HB3 SER 89 HB3 SER 89 25.013 25.493 -12.997 648 HG SER 89 HG SER 89 23.358 27.060 -12.700 649 H VAL 90 H VAL 90 27.482 24.152 -10.989 650 HA VAL 90 HA VAL 90 25.840 23.604 -8.581 651 HB VAL 90 HB VAL 90 25.698 21.227 -9.278 652 HG11 VAL 90 HG11 VAL 90 24.366 23.172 -11.195 653 HG12 VAL 90 HG12 VAL 90 23.825 21.521 -10.813 654 HG13 VAL 90 HG13 VAL 90 23.794 22.766 -9.556 655 HG21 VAL 90 HG21 VAL 90 26.556 22.266 -12.013 656 HG22 VAL 90 HG22 VAL 90 27.530 21.215 -10.954 657 HG23 VAL 90 HG23 VAL 90 26.003 20.623 -11.639 658 H ASP 91 H ASP 91 26.797 22.123 -7.102 659 HA ASP 91 HA ASP 91 29.775 22.221 -7.188 660 HB2 ASP 91 HB2 ASP 91 27.818 22.098 -4.876 661 HB3 ASP 91 HB3 ASP 91 29.578 22.080 -4.717 662 H SER 92 H SER 92 30.604 20.434 -5.461 663 HA SER 92 HA SER 92 30.484 18.027 -6.914 664 HB2 SER 92 HB2 SER 92 31.784 17.107 -5.010 665 HB3 SER 92 HB3 SER 92 32.385 18.700 -5.521 666 HG SER 92 HG SER 92 32.140 18.516 -3.243 667 H ARG 93 H ARG 93 28.308 19.200 -4.431 668 HA ARG 93 HA ARG 93 27.400 16.610 -3.537 669 HB2 ARG 93 HB2 ARG 93 25.897 19.259 -3.535 670 HB3 ARG 93 HB3 ARG 93 25.550 17.836 -2.544 671 HG2 ARG 93 HG2 ARG 93 27.869 18.078 -1.528 672 HG3 ARG 93 HG3 ARG 93 28.026 19.608 -2.424 673 HD2 ARG 93 HD2 ARG 93 27.289 20.218 -0.252 674 HD3 ARG 93 HD3 ARG 93 25.857 20.344 -1.292 675 HE ARG 93 HE ARG 93 26.304 17.798 0.159 676 HH11 ARG 93 HH11 ARG 93 24.488 20.835 -0.048 677 HH12 ARG 93 HH12 ARG 93 23.231 20.274 1.034 678 HH21 ARG 93 HH21 ARG 93 24.675 17.134 1.587 679 HH22 ARG 93 HH22 ARG 93 23.373 18.227 1.999 680 H PHE 94 H PHE 94 26.734 18.641 -6.310 681 HA PHE 94 HA PHE 94 24.356 17.107 -7.123 682 HB2 PHE 94 HB2 PHE 94 25.927 19.279 -8.540 683 HB3 PHE 94 HB3 PHE 94 24.338 18.670 -9.008 684 HD1 PHE 94 HD1 PHE 94 22.412 19.766 -8.270 685 HD2 PHE 94 HD2 PHE 94 26.113 20.391 -6.180 686 HE1 PHE 94 HE1 PHE 94 21.329 21.502 -6.873 687 HE2 PHE 94 HE2 PHE 94 25.039 22.132 -4.789 688 HZ PHE 94 HZ PHE 94 22.634 22.699 -5.141 689 H ARG 95 H ARG 95 27.810 17.098 -7.527 690 HA ARG 95 HA ARG 95 27.697 15.507 -10.001 691 HB2 ARG 95 HB2 ARG 95 30.047 16.350 -8.258 692 HB3 ARG 95 HB3 ARG 95 30.141 15.587 -9.861 693 HG2 ARG 95 HG2 ARG 95 28.887 17.506 -10.837 694 HG3 ARG 95 HG3 ARG 95 28.850 18.289 -9.250 695 HD2 ARG 95 HD2 ARG 95 31.332 18.325 -9.212 696 HD3 ARG 95 HD3 ARG 95 31.350 17.553 -10.807 697 HE ARG 95 HE ARG 95 29.905 20.133 -10.465 698 HH11 ARG 95 HH11 ARG 95 32.662 18.380 -11.828 699 HH12 ARG 95 HH12 ARG 95 33.062 19.664 -12.949 700 HH21 ARG 95 HH21 ARG 95 30.453 21.783 -11.942 701 HH22 ARG 95 HH22 ARG 95 31.817 21.582 -13.000 702 H ASP 96 H ASP 96 27.382 14.946 -6.676 703 HA ASP 96 HA ASP 96 28.189 12.094 -6.965 704 HB2 ASP 96 HB2 ASP 96 29.131 13.379 -5.072 705 HB3 ASP 96 HB3 ASP 96 27.498 13.744 -4.506 706 H ARG 97 H ARG 97 25.443 14.240 -6.803 707 HA ARG 97 HA ARG 97 23.566 11.962 -6.402 708 HB2 ARG 97 HB2 ARG 97 23.280 14.984 -6.207 709 HB3 ARG 97 HB3 ARG 97 21.897 13.879 -6.139 710 HG2 ARG 97 HG2 ARG 97 22.824 12.738 -4.186 711 HG3 ARG 97 HG3 ARG 97 24.303 13.710 -4.282 712 HD2 ARG 97 HD2 ARG 97 22.991 15.767 -3.876 713 HD3 ARG 97 HD3 ARG 97 21.504 14.808 -3.800 714 HE ARG 97 HE ARG 97 22.006 14.245 -1.630 715 HH11 ARG 97 HH11 ARG 97 24.989 15.292 -3.218 716 HH12 ARG 97 HH12 ARG 97 25.943 15.175 -1.755 717 HH21 ARG 97 HH21 ARG 97 23.265 14.146 0.269 718 HH22 ARG 97 HH22 ARG 97 24.966 14.531 0.209 719 HA PRO 98 HA PRO 98 22.410 12.008 -10.650 720 HB2 PRO 98 HB2 PRO 98 19.694 11.668 -10.634 721 HB3 PRO 98 HB3 PRO 98 20.843 10.374 -10.154 722 HG2 PRO 98 HG2 PRO 98 19.385 12.326 -8.345 723 HG3 PRO 98 HG3 PRO 98 19.473 10.535 -8.188 724 HD2 PRO 98 HD2 PRO 98 21.131 12.125 -6.777 725 HD3 PRO 98 HD3 PRO 98 21.757 10.628 -7.528 726 H VAL 99 H VAL 99 21.589 13.330 -12.307 727 HA VAL 99 HA VAL 99 20.311 15.894 -11.554 728 HB VAL 99 HB VAL 99 21.971 17.134 -12.918 729 HG11 VAL 99 HG11 VAL 99 23.200 15.610 -10.593 730 HG12 VAL 99 HG12 VAL 99 23.783 17.149 -11.267 731 HG13 VAL 99 HG13 VAL 99 22.202 17.081 -10.467 732 HG21 VAL 99 HG21 VAL 99 23.572 14.544 -12.841 733 HG22 VAL 99 HG22 VAL 99 22.820 15.264 -14.289 734 HG23 VAL 99 HG23 VAL 99 24.137 16.110 -13.457 735 H LEU 100 H LEU 100 19.351 17.004 -13.297 736 HA LEU 100 HA LEU 100 19.127 15.534 -15.875 737 HB2 LEU 100 HB2 LEU 100 16.882 16.665 -14.156 738 HB3 LEU 100 HB3 LEU 100 16.680 16.178 -15.844 739 HG LEU 100 HG LEU 100 17.597 14.308 -13.621 740 HD11 LEU 100 HD11 LEU 100 14.874 14.654 -14.946 741 HD12 LEU 100 HD12 LEU 100 15.314 13.381 -13.777 742 HD13 LEU 100 HD13 LEU 100 15.282 15.086 -13.270 743 HD21 LEU 100 HD21 LEU 100 16.676 13.819 -16.488 744 HD22 LEU 100 HD22 LEU 100 18.333 13.598 -15.869 745 HD23 LEU 100 HD23 LEU 100 17.023 12.551 -15.284 746 H GLN 101 H GLN 101 18.625 16.865 -17.672 747 HA GLN 101 HA GLN 101 19.438 19.664 -17.343 748 HB2 GLN 101 HB2 GLN 101 19.608 19.751 -19.686 749 HB3 GLN 101 HB3 GLN 101 20.275 18.187 -19.211 750 HG2 GLN 101 HG2 GLN 101 17.451 18.663 -20.247 751 HG3 GLN 101 HG3 GLN 101 18.791 18.130 -21.257 752 HE21 GLN 101 HE21 GLN 101 16.676 15.196 -20.146 753 HE22 GLN 101 HE22 GLN 101 16.292 16.752 -20.862 754 H LYS 102 H LYS 102 18.073 21.405 -18.454 755 HA LYS 102 HA LYS 102 15.484 21.271 -17.222 756 HB2 LYS 102 HB2 LYS 102 16.914 23.300 -17.359 757 HB3 LYS 102 HB3 LYS 102 16.561 23.404 -19.093 758 HG2 LYS 102 HG2 LYS 102 14.141 23.585 -18.593 759 HG3 LYS 102 HG3 LYS 102 14.480 23.396 -16.860 760 HD2 LYS 102 HD2 LYS 102 14.156 25.745 -17.325 761 HD3 LYS 102 HD3 LYS 102 15.864 25.472 -16.934 762 HE2 LYS 102 HE2 LYS 102 16.421 25.475 -19.342 763 HE3 LYS 102 HE3 LYS 102 14.707 25.675 -19.748 764 HZ1 LYS 102 HZ1 LYS 102 16.351 27.605 -18.244 765 HZ2 LYS 102 HZ2 LYS 102 15.839 27.765 -19.800 766 HZ3 LYS 102 HZ3 LYS 102 14.752 27.772 -18.566 767 HA PRO 103 HA PRO 103 13.616 21.095 -21.574 768 HB2 PRO 103 HB2 PRO 103 15.062 20.525 -23.786 769 HB3 PRO 103 HB3 PRO 103 15.012 22.184 -23.095 770 HG2 PRO 103 HG2 PRO 103 17.126 20.046 -22.659 771 HG3 PRO 103 HG3 PRO 103 17.368 21.760 -23.132 772 HD2 PRO 103 HD2 PRO 103 17.570 20.908 -20.551 773 HD3 PRO 103 HD3 PRO 103 16.905 22.522 -20.966 774 H PHE 104 H PHE 104 12.476 19.263 -22.096 775 HA PHE 104 HA PHE 104 13.839 16.629 -21.693 776 HB2 PHE 104 HB2 PHE 104 11.014 17.581 -21.202 777 HB3 PHE 104 HB3 PHE 104 11.394 15.872 -21.406 778 HD1 PHE 104 HD1 PHE 104 10.180 15.811 -19.157 779 HD2 PHE 104 HD2 PHE 104 14.086 17.553 -19.683 780 HE1 PHE 104 HE1 PHE 104 10.622 15.583 -16.731 781 HE2 PHE 104 HE2 PHE 104 14.495 17.361 -17.259 782 HZ PHE 104 HZ PHE 104 12.763 16.391 -15.775 783 H THR 105 H THR 105 13.184 14.886 -23.015 784 HA THR 105 HA THR 105 11.735 15.484 -25.526 785 HB THR 105 HB THR 105 13.451 14.278 -26.827 786 HG1 THR 105 HG1 THR 105 15.463 13.913 -25.816 787 HG21 THR 105 HG21 THR 105 14.680 16.601 -25.286 788 HG22 THR 105 HG22 THR 105 15.157 16.013 -26.894 789 HG23 THR 105 HG23 THR 105 13.565 16.768 -26.664 790 H MET 106 H MET 106 11.194 13.300 -26.640 791 HA MET 106 HA MET 106 9.872 11.667 -24.732 792 HB2 MET 106 HB2 MET 106 10.639 11.142 -27.631 793 HB3 MET 106 HB3 MET 106 9.521 10.140 -26.686 794 HG2 MET 106 HG2 MET 106 9.146 13.103 -27.254 795 HG3 MET 106 HG3 MET 106 8.359 11.794 -28.135 796 HE1 MET 106 HE1 MET 106 5.415 13.420 -26.161 797 HE2 MET 106 HE2 MET 106 6.835 14.244 -26.842 798 HE3 MET 106 HE3 MET 106 6.040 12.938 -27.756 799 H ASP 107 H ASP 107 13.061 11.303 -26.325 800 HA ASP 107 HA ASP 107 13.442 8.647 -25.140 801 HB2 ASP 107 HB2 ASP 107 15.294 10.485 -26.697 802 HB3 ASP 107 HB3 ASP 107 15.662 8.821 -26.222 803 H GLY 108 H GLY 108 14.257 12.016 -24.379 804 HA2 GLY 108 HA2 GLY 108 16.402 11.323 -22.541 805 HA3 GLY 108 HA3 GLY 108 15.681 12.918 -22.821 806 H VAL 109 H VAL 109 12.887 11.867 -22.296 807 HA VAL 109 HA VAL 109 13.077 12.126 -19.385 808 HB VAL 109 HB VAL 109 11.448 13.406 -20.825 809 HG11 VAL 109 HG11 VAL 109 9.921 10.767 -20.830 810 HG12 VAL 109 HG12 VAL 109 9.372 12.325 -21.487 811 HG13 VAL 109 HG13 VAL 109 10.724 11.471 -22.251 812 HG21 VAL 109 HG21 VAL 109 10.238 11.717 -18.604 813 HG22 VAL 109 HG22 VAL 109 11.272 13.144 -18.350 814 HG23 VAL 109 HG23 VAL 109 9.695 13.318 -19.148 815 H ALA 110 H ALA 110 12.497 9.584 -21.774 816 HA ALA 110 HA ALA 110 11.322 7.706 -19.940 817 HB1 ALA 110 HB1 ALA 110 12.959 7.277 -22.478 818 HB2 ALA 110 HB2 ALA 110 11.950 6.055 -21.669 819 HB3 ALA 110 HB3 ALA 110 11.194 7.486 -22.395 820 H LYS 111 H LYS 111 14.638 8.717 -20.709 821 HA LYS 111 HA LYS 111 15.820 6.616 -19.041 822 HB2 LYS 111 HB2 LYS 111 16.990 9.040 -20.462 823 HB3 LYS 111 HB3 LYS 111 17.942 7.827 -19.582 824 HG2 LYS 111 HG2 LYS 111 17.105 6.046 -21.071 825 HG3 LYS 111 HG3 LYS 111 16.111 7.235 -21.944 826 HD2 LYS 111 HD2 LYS 111 18.182 8.476 -22.568 827 HD3 LYS 111 HD3 LYS 111 19.151 7.267 -21.708 828 HE2 LYS 111 HE2 LYS 111 19.150 6.761 -24.089 829 HE3 LYS 111 HE3 LYS 111 18.262 5.502 -23.212 830 HZ1 LYS 111 HZ1 LYS 111 16.223 6.596 -23.861 831 HZ2 LYS 111 HZ2 LYS 111 17.054 7.770 -24.651 832 HZ3 LYS 111 HZ3 LYS 111 17.106 6.216 -25.194 833 H ALA 112 H ALA 112 14.570 9.861 -18.608 834 HA ALA 112 HA ALA 112 16.149 10.457 -16.248 835 HB1 ALA 112 HB1 ALA 112 13.541 11.645 -17.287 836 HB2 ALA 112 HB2 ALA 112 14.569 12.339 -16.018 837 HB3 ALA 112 HB3 ALA 112 15.179 12.218 -17.686 838 H LEU 113 H LEU 113 12.874 9.107 -16.888 839 HA LEU 113 HA LEU 113 12.307 8.899 -14.034 840 HB2 LEU 113 HB2 LEU 113 10.925 8.147 -16.600 841 HB3 LEU 113 HB3 LEU 113 10.400 7.386 -15.095 842 HG LEU 113 HG LEU 113 9.067 9.401 -15.705 843 HD11 LEU 113 HD11 LEU 113 10.650 9.697 -13.114 844 HD12 LEU 113 HD12 LEU 113 9.050 10.378 -13.472 845 HD13 LEU 113 HD13 LEU 113 9.259 8.619 -13.361 846 HD21 LEU 113 HD21 LEU 113 10.911 10.781 -16.658 847 HD22 LEU 113 HD22 LEU 113 9.989 11.632 -15.400 848 HD23 LEU 113 HD23 LEU 113 11.589 10.967 -15.020 849 H ALA 114 H ALA 114 13.792 6.852 -16.528 850 HA ALA 114 HA ALA 114 13.600 4.433 -14.970 851 HB1 ALA 114 HB1 ALA 114 15.553 5.275 -17.149 852 HB2 ALA 114 HB2 ALA 114 15.318 3.618 -16.545 853 HB3 ALA 114 HB3 ALA 114 14.002 4.443 -17.404 854 H ALA 115 H ALA 115 15.725 7.247 -14.953 855 HA ALA 115 HA ALA 115 17.672 5.955 -13.177 856 HB1 ALA 115 HB1 ALA 115 17.432 8.814 -14.184 857 HB2 ALA 115 HB2 ALA 115 18.814 8.124 -13.301 858 HB3 ALA 115 HB3 ALA 115 18.412 7.524 -14.922 859 H LEU 116 H LEU 116 14.683 7.674 -12.863 860 HA LEU 116 HA LEU 116 15.336 8.645 -10.162 861 HB2 LEU 116 HB2 LEU 116 14.143 9.985 -11.882 862 HB3 LEU 116 HB3 LEU 116 12.763 8.891 -11.772 863 HG LEU 116 HG LEU 116 13.859 10.265 -9.291 864 HD11 LEU 116 HD11 LEU 116 11.905 11.424 -11.320 865 HD12 LEU 116 HD12 LEU 116 12.310 12.138 -9.742 866 HD13 LEU 116 HD13 LEU 116 13.552 12.015 -11.009 867 HD21 LEU 116 HD21 LEU 116 11.044 9.444 -10.147 868 HD22 LEU 116 HD22 LEU 116 12.058 8.564 -8.980 869 HD23 LEU 116 HD23 LEU 116 11.485 10.200 -8.601 870 H LEU 117 H LEU 117 13.462 6.077 -11.764 871 HA LEU 117 HA LEU 117 12.258 5.232 -9.217 872 HB2 LEU 117 HB2 LEU 117 11.976 4.471 -12.118 873 HB3 LEU 117 HB3 LEU 117 11.489 3.316 -10.877 874 HG LEU 117 HG LEU 117 9.933 4.895 -9.892 875 HD11 LEU 117 HD11 LEU 117 10.743 6.793 -12.133 876 HD12 LEU 117 HD12 LEU 117 9.389 7.033 -11.000 877 HD13 LEU 117 HD13 LEU 117 11.053 7.030 -10.395 878 HD21 LEU 117 HD21 LEU 117 9.224 3.417 -11.748 879 HD22 LEU 117 HD22 LEU 117 8.313 4.943 -11.745 880 HD23 LEU 117 HD23 LEU 117 9.630 4.698 -12.916 881 H VAL 118 H VAL 118 15.286 4.807 -10.581 882 HA VAL 118 HA VAL 118 15.662 2.267 -9.080 883 HB VAL 118 HB VAL 118 16.759 2.793 -11.872 884 HG11 VAL 118 HG11 VAL 118 16.941 0.376 -10.018 885 HG12 VAL 118 HG12 VAL 118 17.563 0.456 -11.682 886 HG13 VAL 118 HG13 VAL 118 18.280 1.479 -10.426 887 HG21 VAL 118 HG21 VAL 118 14.359 2.239 -11.973 888 HG22 VAL 118 HG22 VAL 118 15.332 0.865 -12.524 889 HG23 VAL 118 HG23 VAL 118 14.620 0.850 -10.890 Start of MODEL 13 1 H1 MET 1 H1 NME 1 2.287 5.813 -3.895 2 H2 MET 1 H2 NME 1 3.067 6.215 -2.509 3 H3 MET 1 H3 NME 1 1.468 6.556 -2.679 4 HA MET 1 HA NME 1 1.729 4.699 -1.235 5 HB2 MET 1 HB2 NME 1 0.622 3.934 -3.966 6 HB3 MET 1 HB3 NME 1 0.356 3.036 -2.462 7 HG2 MET 1 HG2 NME 1 -0.638 5.080 -1.441 8 HG3 MET 1 HG3 NME 1 -0.456 5.925 -2.982 9 HE1 MET 1 HE1 NME 1 -1.230 3.665 -5.119 10 HE2 MET 1 HE2 NME 1 -2.956 4.016 -5.323 11 HE3 MET 1 HE3 NME 1 -1.793 5.351 -5.182 12 H SER 2 H SER 2 2.760 3.640 -4.552 13 HA SER 2 HA SER 2 5.150 2.396 -3.383 14 HB2 SER 2 HB2 SER 2 4.642 0.205 -4.410 15 HB3 SER 2 HB3 SER 2 3.460 0.632 -3.157 16 HG SER 2 HG SER 2 2.467 -0.147 -5.070 17 H ALA 3 H ALA 3 6.642 1.646 -5.090 18 HA ALA 3 HA ALA 3 7.915 2.179 -6.871 19 HB1 ALA 3 HB1 ALA 3 6.280 0.641 -7.873 20 HB2 ALA 3 HB2 ALA 3 5.262 2.033 -8.330 21 HB3 ALA 3 HB3 ALA 3 6.876 1.841 -9.052 22 H LEU 4 H LEU 4 6.651 4.439 -5.384 23 HA LEU 4 HA LEU 4 6.206 6.632 -5.499 24 HB2 LEU 4 HB2 LEU 4 8.045 8.013 -6.330 25 HB3 LEU 4 HB3 LEU 4 8.569 6.724 -5.256 26 HG LEU 4 HG LEU 4 8.663 6.214 -8.222 27 HD11 LEU 4 HD11 LEU 4 9.646 8.464 -7.979 28 HD12 LEU 4 HD12 LEU 4 10.685 7.881 -6.655 29 HD13 LEU 4 HD13 LEU 4 10.910 7.259 -8.303 30 HD21 LEU 4 HD21 LEU 4 10.665 4.946 -7.573 31 HD22 LEU 4 HD22 LEU 4 10.550 5.569 -5.909 32 HD23 LEU 4 HD23 LEU 4 9.312 4.456 -6.538 33 H THR 5 H THR 5 4.297 5.839 -6.922 34 HA THR 5 HA THR 5 4.360 6.776 -9.660 35 HB THR 5 HB THR 5 1.757 6.524 -9.237 36 HG1 THR 5 HG1 THR 5 1.441 4.935 -7.610 37 HG21 THR 5 HG21 THR 5 2.002 4.105 -9.713 38 HG22 THR 5 HG22 THR 5 3.115 5.096 -10.679 39 HG23 THR 5 HG23 THR 5 3.724 4.203 -9.261 40 H GLN 6 H GLN 6 4.264 8.382 -6.685 41 HA GLN 6 HA GLN 6 2.770 10.664 -7.860 42 HB2 GLN 6 HB2 GLN 6 3.286 9.843 -4.954 43 HB3 GLN 6 HB3 GLN 6 2.547 11.360 -5.445 44 HG2 GLN 6 HG2 GLN 6 0.670 10.014 -5.040 45 HG3 GLN 6 HG3 GLN 6 0.879 9.864 -6.795 46 HE21 GLN 6 HE21 GLN 6 0.279 6.438 -5.974 47 HE22 GLN 6 HE22 GLN 6 -0.534 7.943 -6.351 48 H ILE 7 H ILE 7 4.072 12.119 -8.713 49 HA ILE 7 HA ILE 7 6.621 12.754 -7.307 50 HB ILE 7 HB ILE 7 6.032 13.158 -10.251 51 HG12 ILE 7 HG12 ILE 7 5.947 10.771 -9.899 52 HG13 ILE 7 HG13 ILE 7 7.471 11.199 -10.684 53 HG21 ILE 7 HG21 ILE 7 8.590 13.192 -8.591 54 HG22 ILE 7 HG22 ILE 7 8.524 13.322 -10.362 55 HG23 ILE 7 HG23 ILE 7 7.797 14.585 -9.359 56 HD11 ILE 7 HD11 ILE 7 7.863 9.521 -8.956 57 HD12 ILE 7 HD12 ILE 7 8.615 11.057 -8.470 58 HD13 ILE 7 HD13 ILE 7 7.082 10.543 -7.733 59 H LEU 8 H LEU 8 7.044 14.866 -6.805 60 HA LEU 8 HA LEU 8 4.958 16.880 -7.468 61 HB2 LEU 8 HB2 LEU 8 5.856 16.247 -5.052 62 HB3 LEU 8 HB3 LEU 8 7.198 17.297 -5.503 63 HG LEU 8 HG LEU 8 4.252 17.968 -5.199 64 HD11 LEU 8 HD11 LEU 8 5.691 17.890 -3.168 65 HD12 LEU 8 HD12 LEU 8 6.780 19.082 -3.916 66 HD13 LEU 8 HD13 LEU 8 5.108 19.533 -3.514 67 HD21 LEU 8 HD21 LEU 8 4.915 19.253 -7.132 68 HD22 LEU 8 HD22 LEU 8 4.864 20.329 -5.730 69 HD23 LEU 8 HD23 LEU 8 6.434 19.754 -6.337 70 H ILE 9 H ILE 9 5.458 18.570 -8.809 71 HA ILE 9 HA ILE 9 8.200 18.677 -9.947 72 HB ILE 9 HB ILE 9 5.556 19.861 -10.854 73 HG12 ILE 9 HG12 ILE 9 7.220 17.612 -12.067 74 HG13 ILE 9 HG13 ILE 9 5.804 17.349 -11.039 75 HG21 ILE 9 HG21 ILE 9 6.763 20.492 -12.915 76 HG22 ILE 9 HG22 ILE 9 7.513 21.257 -11.512 77 HG23 ILE 9 HG23 ILE 9 8.270 19.824 -12.250 78 HD11 ILE 9 HD11 ILE 9 4.369 18.558 -12.632 79 HD12 ILE 9 HD12 ILE 9 5.762 18.843 -13.697 80 HD13 ILE 9 HD13 ILE 9 5.197 17.194 -13.421 81 H VAL 10 H VAL 10 9.567 20.282 -9.365 82 HA VAL 10 HA VAL 10 8.429 22.780 -8.194 83 HB VAL 10 HB VAL 10 10.876 21.288 -7.167 84 HG11 VAL 10 HG11 VAL 10 10.707 22.921 -5.310 85 HG12 VAL 10 HG12 VAL 10 10.950 23.726 -6.870 86 HG13 VAL 10 HG13 VAL 10 9.332 23.704 -6.125 87 HG21 VAL 10 HG21 VAL 10 9.534 20.813 -5.144 88 HG22 VAL 10 HG22 VAL 10 8.093 21.474 -5.947 89 HG23 VAL 10 HG23 VAL 10 8.874 20.004 -6.577 90 H GLU 11 H GLU 11 8.954 24.337 -9.679 91 HA GLU 11 HA GLU 11 11.767 24.453 -10.583 92 HB2 GLU 11 HB2 GLU 11 9.400 24.499 -12.493 93 HB3 GLU 11 HB3 GLU 11 11.093 24.801 -12.915 94 HG2 GLU 11 HG2 GLU 11 11.625 22.474 -11.999 95 HG3 GLU 11 HG3 GLU 11 9.879 22.199 -11.906 96 H ASP 12 H ASP 12 12.353 26.501 -11.595 97 HA ASP 12 HA ASP 12 10.985 28.722 -10.241 98 HB2 ASP 12 HB2 ASP 12 13.443 28.428 -10.105 99 HB3 ASP 12 HB3 ASP 12 13.557 28.629 -11.862 100 H GLU 13 H GLU 13 10.616 27.167 -13.190 101 HA GLU 13 HA GLU 13 9.503 29.610 -14.423 102 HB2 GLU 13 HB2 GLU 13 10.567 29.069 -16.576 103 HB3 GLU 13 HB3 GLU 13 11.752 29.412 -15.309 104 HG2 GLU 13 HG2 GLU 13 11.916 26.878 -14.944 105 HG3 GLU 13 HG3 GLU 13 10.989 26.693 -16.436 106 HA PRO 14 HA PRO 14 6.218 26.812 -15.096 107 HB2 PRO 14 HB2 PRO 14 4.553 28.330 -16.578 108 HB3 PRO 14 HB3 PRO 14 5.038 28.835 -14.923 109 HG2 PRO 14 HG2 PRO 14 6.263 29.719 -17.558 110 HG3 PRO 14 HG3 PRO 14 5.664 30.757 -16.221 111 HD2 PRO 14 HD2 PRO 14 8.300 30.051 -16.459 112 HD3 PRO 14 HD3 PRO 14 7.515 30.229 -14.861 113 H LEU 15 H LEU 15 8.249 27.824 -17.766 114 HA LEU 15 HA LEU 15 6.667 26.647 -19.872 115 HB2 LEU 15 HB2 LEU 15 9.649 27.260 -19.740 116 HB3 LEU 15 HB3 LEU 15 8.730 26.911 -21.210 117 HG LEU 15 HG LEU 15 8.303 29.302 -19.367 118 HD11 LEU 15 HD11 LEU 15 9.437 29.078 -22.185 119 HD12 LEU 15 HD12 LEU 15 9.180 30.583 -21.279 120 HD13 LEU 15 HD13 LEU 15 10.374 29.397 -20.707 121 HD21 LEU 15 HD21 LEU 15 6.181 28.618 -20.422 122 HD22 LEU 15 HD22 LEU 15 6.792 30.106 -21.172 123 HD23 LEU 15 HD23 LEU 15 6.980 28.550 -22.012 124 H ILE 16 H ILE 16 9.463 25.481 -17.931 125 HA ILE 16 HA ILE 16 9.457 22.924 -19.331 126 HB ILE 16 HB ILE 16 10.824 23.771 -16.753 127 HG12 ILE 16 HG12 ILE 16 11.502 25.226 -18.603 128 HG13 ILE 16 HG13 ILE 16 12.818 24.152 -18.130 129 HG21 ILE 16 HG21 ILE 16 11.274 21.416 -18.642 130 HG22 ILE 16 HG22 ILE 16 12.396 21.892 -17.340 131 HG23 ILE 16 HG23 ILE 16 10.760 21.350 -16.947 132 HD11 ILE 16 HD11 ILE 16 10.990 23.757 -20.544 133 HD12 ILE 16 HD12 ILE 16 12.663 24.344 -20.573 134 HD13 ILE 16 HD13 ILE 16 12.327 22.677 -20.065 135 H ALA 17 H ALA 17 7.852 24.323 -16.524 136 HA ALA 17 HA ALA 17 7.168 21.854 -15.240 137 HB1 ALA 17 HB1 ALA 17 5.769 24.559 -15.234 138 HB2 ALA 17 HB2 ALA 17 5.494 23.242 -14.073 139 HB3 ALA 17 HB3 ALA 17 7.072 24.054 -14.131 140 H MET 18 H MET 18 5.853 23.581 -18.048 141 HA MET 18 HA MET 18 3.438 21.929 -18.105 142 HB2 MET 18 HB2 MET 18 4.661 23.906 -20.062 143 HB3 MET 18 HB3 MET 18 3.140 23.039 -20.347 144 HG2 MET 18 HG2 MET 18 3.688 24.843 -17.962 145 HG3 MET 18 HG3 MET 18 2.801 25.322 -19.414 146 HE1 MET 18 HE1 MET 18 0.045 25.203 -16.649 147 HE2 MET 18 HE2 MET 18 1.745 25.694 -16.473 148 HE3 MET 18 HE3 MET 18 0.824 26.181 -17.916 149 H MET 19 H MET 19 6.743 21.819 -19.404 150 HA MET 19 HA MET 19 6.126 19.704 -21.307 151 HB2 MET 19 HB2 MET 19 8.755 20.648 -20.096 152 HB3 MET 19 HB3 MET 19 8.607 19.448 -21.392 153 HG2 MET 19 HG2 MET 19 7.661 22.335 -21.493 154 HG3 MET 19 HG3 MET 19 9.092 21.686 -22.292 155 HE1 MET 19 HE1 MET 19 7.590 19.377 -25.071 156 HE2 MET 19 HE2 MET 19 9.063 20.003 -24.291 157 HE3 MET 19 HE3 MET 19 8.007 18.861 -23.425 158 H LEU 20 H LEU 20 6.999 19.855 -17.868 159 HA LEU 20 HA LEU 20 7.500 16.991 -17.684 160 HB2 LEU 20 HB2 LEU 20 7.341 19.340 -15.847 161 HB3 LEU 20 HB3 LEU 20 6.929 17.773 -15.140 162 HG LEU 20 HG LEU 20 9.341 18.406 -14.883 163 HD11 LEU 20 HD11 LEU 20 8.764 15.873 -16.468 164 HD12 LEU 20 HD12 LEU 20 10.151 16.163 -15.393 165 HD13 LEU 20 HD13 LEU 20 8.505 16.094 -14.726 166 HD21 LEU 20 HD21 LEU 20 10.839 18.195 -16.773 167 HD22 LEU 20 HD22 LEU 20 9.485 17.847 -17.875 168 HD23 LEU 20 HD23 LEU 20 9.632 19.450 -17.122 169 H GLU 21 H GLU 21 4.655 19.125 -17.395 170 HA GLU 21 HA GLU 21 2.976 16.994 -16.347 171 HB2 GLU 21 HB2 GLU 21 2.473 19.729 -17.567 172 HB3 GLU 21 HB3 GLU 21 1.146 18.645 -17.119 173 HG2 GLU 21 HG2 GLU 21 3.327 19.463 -15.163 174 HG3 GLU 21 HG3 GLU 21 1.824 20.370 -15.372 175 H ASP 22 H ASP 22 4.168 17.918 -19.507 176 HA ASP 22 HA ASP 22 2.005 16.592 -20.937 177 HB2 ASP 22 HB2 ASP 22 3.237 18.512 -21.869 178 HB3 ASP 22 HB3 ASP 22 4.727 17.547 -21.885 179 H PHE 23 H PHE 23 5.457 15.739 -20.108 180 HA PHE 23 HA PHE 23 5.141 13.210 -21.503 181 HB2 PHE 23 HB2 PHE 23 7.320 14.384 -19.760 182 HB3 PHE 23 HB3 PHE 23 7.382 12.746 -20.422 183 HD1 PHE 23 HD1 PHE 23 8.370 16.062 -21.047 184 HD2 PHE 23 HD2 PHE 23 6.830 12.572 -23.022 185 HE1 PHE 23 HE1 PHE 23 9.274 16.884 -23.207 186 HE2 PHE 23 HE2 PHE 23 7.734 13.390 -25.182 187 HZ PHE 23 HZ PHE 23 8.952 15.549 -25.278 188 H LEU 24 H LEU 24 4.559 14.278 -18.152 189 HA LEU 24 HA LEU 24 4.678 11.526 -17.175 190 HB2 LEU 24 HB2 LEU 24 3.650 14.118 -15.968 191 HB3 LEU 24 HB3 LEU 24 3.646 12.562 -15.120 192 HG LEU 24 HG LEU 24 6.147 13.928 -16.214 193 HD11 LEU 24 HD11 LEU 24 5.127 13.601 -13.359 194 HD12 LEU 24 HD12 LEU 24 6.655 14.368 -13.852 195 HD13 LEU 24 HD13 LEU 24 5.107 15.120 -14.289 196 HD21 LEU 24 HD21 LEU 24 6.413 11.485 -16.128 197 HD22 LEU 24 HD22 LEU 24 7.328 12.248 -14.820 198 HD23 LEU 24 HD23 LEU 24 5.778 11.465 -14.460 199 H GLU 25 H GLU 25 2.234 13.533 -18.734 200 HA GLU 25 HA GLU 25 0.083 11.699 -17.919 201 HB2 GLU 25 HB2 GLU 25 0.223 14.080 -19.794 202 HB3 GLU 25 HB3 GLU 25 -1.236 13.103 -19.564 203 HG2 GLU 25 HG2 GLU 25 0.248 14.520 -17.315 204 HG3 GLU 25 HG3 GLU 25 -1.186 15.152 -18.132 205 H VAL 26 H VAL 26 2.415 11.998 -20.537 206 HA VAL 26 HA VAL 26 0.920 10.181 -22.289 207 HB VAL 26 HB VAL 26 3.617 11.565 -22.455 208 HG11 VAL 26 HG11 VAL 26 3.868 9.443 -23.660 209 HG12 VAL 26 HG12 VAL 26 2.310 9.703 -24.482 210 HG13 VAL 26 HG13 VAL 26 3.691 10.769 -24.819 211 HG21 VAL 26 HG21 VAL 26 1.541 12.928 -22.775 212 HG22 VAL 26 HG22 VAL 26 2.504 12.801 -24.263 213 HG23 VAL 26 HG23 VAL 26 1.034 11.815 -24.057 214 H LEU 27 H LEU 27 3.170 9.920 -19.662 215 HA LEU 27 HA LEU 27 3.847 7.142 -20.476 216 HB2 LEU 27 HB2 LEU 27 5.179 9.013 -18.491 217 HB3 LEU 27 HB3 LEU 27 5.662 7.331 -18.773 218 HG LEU 27 HG LEU 27 5.643 9.509 -20.911 219 HD11 LEU 27 HD11 LEU 27 8.092 9.372 -20.723 220 HD12 LEU 27 HD12 LEU 27 7.369 9.866 -19.176 221 HD13 LEU 27 HD13 LEU 27 7.931 8.194 -19.396 222 HD21 LEU 27 HD21 LEU 27 5.311 7.277 -21.888 223 HD22 LEU 27 HD22 LEU 27 6.954 7.850 -22.209 224 HD23 LEU 27 HD23 LEU 27 6.674 6.642 -20.937 225 H ASP 28 H ASP 28 1.288 8.217 -19.186 226 HA ASP 28 HA ASP 28 -0.211 7.564 -17.644 227 HB2 ASP 28 HB2 ASP 28 1.297 4.934 -17.810 228 HB3 ASP 28 HB3 ASP 28 -0.348 5.153 -17.204 229 H LYS 29 H LYS 29 2.164 8.874 -16.544 230 HA LYS 29 HA LYS 29 2.552 7.597 -13.932 231 HB2 LYS 29 HB2 LYS 29 4.067 9.247 -15.579 232 HB3 LYS 29 HB3 LYS 29 3.523 10.363 -14.326 233 HG2 LYS 29 HG2 LYS 29 4.980 7.717 -13.890 234 HG3 LYS 29 HG3 LYS 29 5.703 9.329 -13.787 235 HD2 LYS 29 HD2 LYS 29 4.015 9.862 -11.958 236 HD3 LYS 29 HD3 LYS 29 3.609 8.127 -11.939 237 HE2 LYS 29 HE2 LYS 29 6.365 9.333 -11.470 238 HE3 LYS 29 HE3 LYS 29 5.277 8.723 -10.216 239 HZ1 LYS 29 HZ1 LYS 29 5.428 6.544 -11.303 240 HZ2 LYS 29 HZ2 LYS 29 6.519 7.144 -12.375 241 HZ3 LYS 29 HZ3 LYS 29 6.882 7.078 -10.771 242 H THR 30 H THR 30 2.158 8.994 -11.916 243 HA THR 30 HA THR 30 -0.381 10.537 -12.249 244 HB THR 30 HB THR 30 0.341 8.683 -9.957 245 HG1 THR 30 HG1 THR 30 -1.188 7.324 -10.938 246 HG21 THR 30 HG21 THR 30 -2.272 10.032 -10.790 247 HG22 THR 30 HG22 THR 30 -2.062 8.912 -9.421 248 HG23 THR 30 HG23 THR 30 -1.270 10.501 -9.395 249 HA PRO 31 HA PRO 31 2.831 13.160 -10.107 250 HB2 PRO 31 HB2 PRO 31 2.229 15.491 -11.437 251 HB3 PRO 31 HB3 PRO 31 3.403 14.277 -12.045 252 HG2 PRO 31 HG2 PRO 31 0.479 14.568 -12.791 253 HG3 PRO 31 HG3 PRO 31 1.895 14.396 -13.887 254 HD2 PRO 31 HD2 PRO 31 0.372 12.254 -13.224 255 HD3 PRO 31 HD3 PRO 31 2.157 12.096 -13.308 256 H VAL 32 H VAL 32 2.344 14.798 -8.510 257 HA VAL 32 HA VAL 32 -0.551 14.744 -7.808 258 HB VAL 32 HB VAL 32 0.155 14.789 -5.469 259 HG11 VAL 32 HG11 VAL 32 1.568 12.564 -6.995 260 HG12 VAL 32 HG12 VAL 32 0.891 12.504 -5.356 261 HG13 VAL 32 HG13 VAL 32 -0.193 12.643 -6.755 262 HG21 VAL 32 HG21 VAL 32 2.983 14.519 -6.585 263 HG22 VAL 32 HG22 VAL 32 2.342 15.938 -5.720 264 HG23 VAL 32 HG23 VAL 32 2.518 14.382 -4.882 265 H GLY 33 H GLY 33 1.887 16.922 -8.781 266 HA2 GLY 33 HA2 GLY 33 0.245 19.132 -8.722 267 HA3 GLY 33 HA3 GLY 33 1.007 19.145 -7.126 268 H THR 34 H THR 34 1.440 21.271 -8.563 269 HA THR 34 HA THR 34 4.326 21.103 -9.207 270 HB THR 34 HB THR 34 2.244 22.543 -10.901 271 HG1 THR 34 HG1 THR 34 2.342 20.312 -11.282 272 HG21 THR 34 HG21 THR 34 4.169 23.035 -12.377 273 HG22 THR 34 HG22 THR 34 4.348 23.797 -10.787 274 HG23 THR 34 HG23 THR 34 5.272 22.323 -11.174 275 H VAL 35 H VAL 35 5.460 22.853 -8.403 276 HA VAL 35 HA VAL 35 3.929 25.178 -7.387 277 HB VAL 35 HB VAL 35 5.244 25.125 -5.288 278 HG11 VAL 35 HG11 VAL 35 2.931 24.229 -5.381 279 HG12 VAL 35 HG12 VAL 35 3.587 22.612 -5.747 280 HG13 VAL 35 HG13 VAL 35 3.933 23.378 -4.187 281 HG21 VAL 35 HG21 VAL 35 7.120 23.695 -6.055 282 HG22 VAL 35 HG22 VAL 35 6.350 23.044 -4.596 283 HG23 VAL 35 HG23 VAL 35 6.006 22.310 -6.176 284 H ASP 36 H ASP 36 5.240 27.054 -7.004 285 HA ASP 36 HA ASP 36 7.574 27.106 -8.849 286 HB2 ASP 36 HB2 ASP 36 5.676 29.328 -8.020 287 HB3 ASP 36 HB3 ASP 36 7.014 29.483 -9.164 288 H THR 37 H THR 37 7.038 26.900 -5.617 289 HA THR 37 HA THR 37 9.522 28.396 -5.006 290 HB THR 37 HB THR 37 8.537 29.284 -2.944 291 HG1 THR 37 HG1 THR 37 6.268 29.132 -2.708 292 HG21 THR 37 HG21 THR 37 6.828 30.018 -5.359 293 HG22 THR 37 HG22 THR 37 7.098 31.004 -3.903 294 HG23 THR 37 HG23 THR 37 8.444 30.673 -5.012 295 H VAL 38 H VAL 38 10.559 27.671 -3.010 296 HA VAL 38 HA VAL 38 10.332 24.794 -2.702 297 HB VAL 38 HB VAL 38 12.152 25.053 -1.086 298 HG11 VAL 38 HG11 VAL 38 12.634 24.964 -3.506 299 HG12 VAL 38 HG12 VAL 38 12.567 26.745 -3.578 300 HG13 VAL 38 HG13 VAL 38 13.829 25.942 -2.624 301 HG21 VAL 38 HG21 VAL 38 13.148 27.282 -0.670 302 HG22 VAL 38 HG22 VAL 38 11.830 28.052 -1.577 303 HG23 VAL 38 HG23 VAL 38 11.488 27.203 -0.048 304 H ALA 39 H ALA 39 8.975 27.597 -1.099 305 HA ALA 39 HA ALA 39 8.353 26.231 1.382 306 HB1 ALA 39 HB1 ALA 39 7.242 28.777 0.133 307 HB2 ALA 39 HB2 ALA 39 6.995 28.253 1.813 308 HB3 ALA 39 HB3 ALA 39 8.626 28.677 1.247 309 H GLY 40 H GLY 40 6.868 26.532 -1.810 310 HA2 GLY 40 HA2 GLY 40 4.239 25.626 -1.007 311 HA3 GLY 40 HA3 GLY 40 4.907 25.696 -2.654 312 H ALA 41 H ALA 41 7.328 24.077 -1.784 313 HA ALA 41 HA ALA 41 6.142 21.461 -2.254 314 HB1 ALA 41 HB1 ALA 41 8.490 20.705 -2.266 315 HB2 ALA 41 HB2 ALA 41 8.274 22.140 -3.299 316 HB3 ALA 41 HB3 ALA 41 9.020 22.300 -1.691 317 H LEU 42 H LEU 42 7.442 23.273 0.522 318 HA LEU 42 HA LEU 42 7.413 20.950 2.278 319 HB2 LEU 42 HB2 LEU 42 7.604 23.946 2.783 320 HB3 LEU 42 HB3 LEU 42 7.716 22.715 4.052 321 HG LEU 42 HG LEU 42 9.595 22.908 1.658 322 HD11 LEU 42 HD11 LEU 42 9.972 23.666 4.588 323 HD12 LEU 42 HD12 LEU 42 11.230 23.713 3.327 324 HD13 LEU 42 HD13 LEU 42 9.834 24.804 3.225 325 HD21 LEU 42 HD21 LEU 42 9.646 21.186 4.176 326 HD22 LEU 42 HD22 LEU 42 9.423 20.605 2.509 327 HD23 LEU 42 HD23 LEU 42 10.969 21.309 2.997 328 H ALA 43 H ALA 43 5.132 23.536 1.372 329 HA ALA 43 HA ALA 43 3.321 22.945 3.556 330 HB1 ALA 43 HB1 ALA 43 3.441 25.160 2.472 331 HB2 ALA 43 HB2 ALA 43 2.907 24.440 0.931 332 HB3 ALA 43 HB3 ALA 43 1.812 24.468 2.333 333 H ARG 44 H ARG 44 3.858 21.642 0.325 334 HA ARG 44 HA ARG 44 1.222 20.358 0.272 335 HB2 ARG 44 HB2 ARG 44 2.425 21.399 -1.719 336 HB3 ARG 44 HB3 ARG 44 3.510 20.001 -1.693 337 HG2 ARG 44 HG2 ARG 44 1.555 18.497 -1.994 338 HG3 ARG 44 HG3 ARG 44 0.467 19.896 -1.898 339 HD2 ARG 44 HD2 ARG 44 1.683 20.874 -3.888 340 HD3 ARG 44 HD3 ARG 44 2.562 19.344 -4.032 341 HE ARG 44 HE ARG 44 0.643 18.324 -4.881 342 HH11 ARG 44 HH11 ARG 44 -0.186 21.503 -3.560 343 HH12 ARG 44 HH12 ARG 44 -1.792 21.496 -4.252 344 HH21 ARG 44 HH21 ARG 44 -1.439 18.362 -5.785 345 HH22 ARG 44 HH22 ARG 44 -2.507 19.718 -5.495 346 H VAL 45 H VAL 45 4.525 19.511 1.195 347 HA VAL 45 HA VAL 45 3.947 16.646 1.048 348 HB VAL 45 HB VAL 45 6.186 17.673 0.567 349 HG11 VAL 45 HG11 VAL 45 6.357 17.849 3.607 350 HG12 VAL 45 HG12 VAL 45 7.669 18.167 2.456 351 HG13 VAL 45 HG13 VAL 45 6.254 19.241 2.503 352 HG21 VAL 45 HG21 VAL 45 5.867 15.256 1.004 353 HG22 VAL 45 HG22 VAL 45 7.436 15.848 1.597 354 HG23 VAL 45 HG23 VAL 45 6.112 15.542 2.741 355 H GLU 46 H GLU 46 3.657 19.196 3.448 356 HA GLU 46 HA GLU 46 3.523 17.481 5.757 357 HB2 GLU 46 HB2 GLU 46 2.476 20.254 5.100 358 HB3 GLU 46 HB3 GLU 46 2.190 19.486 6.674 359 HG2 GLU 46 HG2 GLU 46 4.969 19.834 5.494 360 HG3 GLU 46 HG3 GLU 46 4.206 21.011 6.577 361 H ASP 47 H ASP 47 1.403 17.889 3.062 362 HA ASP 47 HA ASP 47 -0.963 16.960 4.538 363 HB2 ASP 47 HB2 ASP 47 -1.099 18.719 2.774 364 HB3 ASP 47 HB3 ASP 47 -0.544 17.528 1.581 365 H GLY 48 H GLY 48 1.780 15.603 3.015 366 HA2 GLY 48 HA2 GLY 48 2.357 13.401 2.649 367 HA3 GLY 48 HA3 GLY 48 0.787 12.903 3.285 368 H GLY 49 H GLY 49 1.135 11.298 1.444 369 HA2 GLY 49 HA2 GLY 49 0.099 10.521 -0.468 370 HA3 GLY 49 HA3 GLY 49 -0.500 12.154 -0.816 371 H ILE 50 H ILE 50 2.893 12.075 -0.197 372 HA ILE 50 HA ILE 50 3.441 12.070 -3.128 373 HB ILE 50 HB ILE 50 4.967 13.649 -1.038 374 HG12 ILE 50 HG12 ILE 50 2.614 14.485 -2.783 375 HG13 ILE 50 HG13 ILE 50 2.711 14.503 -1.014 376 HG21 ILE 50 HG21 ILE 50 6.163 13.100 -3.140 377 HG22 ILE 50 HG22 ILE 50 4.835 13.798 -4.086 378 HG23 ILE 50 HG23 ILE 50 5.841 14.824 -3.029 379 HD11 ILE 50 HD11 ILE 50 2.993 16.758 -1.804 380 HD12 ILE 50 HD12 ILE 50 4.565 16.196 -1.188 381 HD13 ILE 50 HD13 ILE 50 4.261 16.262 -2.945 382 H ASP 51 H ASP 51 5.351 11.052 -3.833 383 HA ASP 51 HA ASP 51 6.609 9.256 -1.796 384 HB2 ASP 51 HB2 ASP 51 5.662 8.710 -4.627 385 HB3 ASP 51 HB3 ASP 51 6.812 7.664 -3.786 386 H ALA 52 H ALA 52 7.089 11.491 -4.474 387 HA ALA 52 HA ALA 52 9.900 11.720 -3.817 388 HB1 ALA 52 HB1 ALA 52 10.705 11.136 -6.109 389 HB2 ALA 52 HB2 ALA 52 10.043 9.735 -5.245 390 HB3 ALA 52 HB3 ALA 52 9.074 10.545 -6.497 391 H ALA 53 H ALA 53 10.925 13.402 -5.380 392 HA ALA 53 HA ALA 53 8.967 15.088 -6.788 393 HB1 ALA 53 HB1 ALA 53 10.583 16.109 -4.417 394 HB2 ALA 53 HB2 ALA 53 9.592 17.105 -5.510 395 HB3 ALA 53 HB3 ALA 53 8.815 15.897 -4.475 396 H ILE 54 H ILE 54 10.048 16.897 -7.944 397 HA ILE 54 HA ILE 54 12.927 16.326 -8.516 398 HB ILE 54 HB ILE 54 10.765 17.189 -10.472 399 HG12 ILE 54 HG12 ILE 54 12.327 14.581 -10.204 400 HG13 ILE 54 HG13 ILE 54 10.613 14.804 -9.820 401 HG21 ILE 54 HG21 ILE 54 12.567 17.013 -12.163 402 HG22 ILE 54 HG22 ILE 54 12.989 18.204 -10.932 403 HG23 ILE 54 HG23 ILE 54 13.730 16.588 -10.884 404 HD11 ILE 54 HD11 ILE 54 10.192 15.455 -12.201 405 HD12 ILE 54 HD12 ILE 54 11.887 15.060 -12.576 406 HD13 ILE 54 HD13 ILE 54 10.791 13.793 -12.008 407 H LEU 55 H LEU 55 14.282 18.051 -8.431 408 HA LEU 55 HA LEU 55 13.048 20.667 -7.692 409 HB2 LEU 55 HB2 LEU 55 15.478 19.152 -6.712 410 HB3 LEU 55 HB3 LEU 55 15.422 20.904 -6.587 411 HG LEU 55 HG LEU 55 14.757 19.721 -4.509 412 HD11 LEU 55 HD11 LEU 55 12.578 21.435 -5.765 413 HD12 LEU 55 HD12 LEU 55 12.833 21.145 -4.029 414 HD13 LEU 55 HD13 LEU 55 14.052 22.035 -4.963 415 HD21 LEU 55 HD21 LEU 55 12.616 18.662 -4.280 416 HD22 LEU 55 HD22 LEU 55 12.187 19.009 -5.968 417 HD23 LEU 55 HD23 LEU 55 13.488 17.847 -5.595 418 H ASP 56 H ASP 56 13.770 22.507 -8.620 419 HA ASP 56 HA ASP 56 15.648 22.278 -10.909 420 HB2 ASP 56 HB2 ASP 56 13.434 23.293 -11.258 421 HB3 ASP 56 HB3 ASP 56 13.764 24.470 -9.974 422 H VAL 57 H VAL 57 17.655 23.223 -10.879 423 HA VAL 57 HA VAL 57 18.648 24.094 -8.286 424 HB VAL 57 HB VAL 57 20.031 24.002 -10.993 425 HG11 VAL 57 HG11 VAL 57 22.084 23.808 -9.582 426 HG12 VAL 57 HG12 VAL 57 21.269 25.364 -9.372 427 HG13 VAL 57 HG13 VAL 57 21.094 24.087 -8.135 428 HG21 VAL 57 HG21 VAL 57 19.165 21.774 -10.350 429 HG22 VAL 57 HG22 VAL 57 20.929 21.826 -10.175 430 HG23 VAL 57 HG23 VAL 57 19.894 21.948 -8.737 431 H ASN 58 H ASN 58 17.206 25.613 -11.030 432 HA ASN 58 HA ASN 58 18.455 28.206 -10.645 433 HB2 ASN 58 HB2 ASN 58 17.495 27.291 -12.814 434 HB3 ASN 58 HB3 ASN 58 15.881 27.524 -12.119 435 HD21 ASN 58 HD21 ASN 58 16.093 30.611 -13.890 436 HD22 ASN 58 HD22 ASN 58 15.483 28.972 -13.939 437 H LEU 59 H LEU 59 16.324 26.452 -8.766 438 HA LEU 59 HA LEU 59 14.933 28.885 -7.769 439 HB2 LEU 59 HB2 LEU 59 13.497 26.998 -8.533 440 HB3 LEU 59 HB3 LEU 59 14.308 25.932 -7.381 441 HG LEU 59 HG LEU 59 13.520 27.395 -5.508 442 HD11 LEU 59 HD11 LEU 59 13.267 29.532 -6.704 443 HD12 LEU 59 HD12 LEU 59 12.004 28.821 -7.736 444 HD13 LEU 59 HD13 LEU 59 11.720 29.043 -5.992 445 HD21 LEU 59 HD21 LEU 59 11.148 26.715 -5.670 446 HD22 LEU 59 HD22 LEU 59 11.358 26.390 -7.408 447 HD23 LEU 59 HD23 LEU 59 12.236 25.416 -6.198 448 H ARG 60 H ARG 60 16.401 29.769 -6.362 449 HA ARG 60 HA ARG 60 17.994 28.052 -4.625 450 HB2 ARG 60 HB2 ARG 60 18.885 30.111 -5.710 451 HB3 ARG 60 HB3 ARG 60 17.780 31.082 -4.720 452 HG2 ARG 60 HG2 ARG 60 18.852 30.156 -2.663 453 HG3 ARG 60 HG3 ARG 60 19.939 29.190 -3.684 454 HD2 ARG 60 HD2 ARG 60 20.899 31.237 -4.638 455 HD3 ARG 60 HD3 ARG 60 19.748 32.234 -3.732 456 HE ARG 60 HE ARG 60 22.119 30.821 -2.674 457 HH11 ARG 60 HH11 ARG 60 19.195 32.685 -1.956 458 HH12 ARG 60 HH12 ARG 60 19.729 33.112 -0.347 459 HH21 ARG 60 HH21 ARG 60 22.766 31.380 -0.580 460 HH22 ARG 60 HH22 ARG 60 21.754 32.395 0.426 461 H GLY 61 H GLY 61 17.845 27.829 -2.418 462 HA2 GLY 61 HA2 GLY 61 15.250 28.351 -1.165 463 HA3 GLY 61 HA3 GLY 61 16.644 27.536 -0.441 464 H GLY 62 H GLY 62 15.649 29.057 1.367 465 HA2 GLY 62 HA2 GLY 62 16.421 31.854 1.204 466 HA3 GLY 62 HA3 GLY 62 15.849 30.983 2.639 467 H GLU 63 H GLU 63 17.979 28.861 2.171 468 HA GLU 63 HA GLU 63 20.412 30.387 2.981 469 HB2 GLU 63 HB2 GLU 63 19.292 27.820 4.167 470 HB3 GLU 63 HB3 GLU 63 20.894 28.474 4.528 471 HG2 GLU 63 HG2 GLU 63 18.241 29.885 5.047 472 HG3 GLU 63 HG3 GLU 63 19.218 29.050 6.262 473 H LYS 64 H LYS 64 22.424 29.035 2.720 474 HA LYS 64 HA LYS 64 23.847 28.097 1.181 475 HB2 LYS 64 HB2 LYS 64 21.825 25.858 1.565 476 HB3 LYS 64 HB3 LYS 64 23.455 25.671 0.884 477 HG2 LYS 64 HG2 LYS 64 24.430 26.561 2.975 478 HG3 LYS 64 HG3 LYS 64 22.801 26.698 3.674 479 HD2 LYS 64 HD2 LYS 64 22.489 24.256 3.418 480 HD3 LYS 64 HD3 LYS 64 24.089 24.120 2.663 481 HE2 LYS 64 HE2 LYS 64 24.231 23.468 5.003 482 HE3 LYS 64 HE3 LYS 64 25.150 24.955 4.735 483 HZ1 LYS 64 HZ1 LYS 64 22.432 24.801 5.865 484 HZ2 LYS 64 HZ2 LYS 64 23.805 25.097 6.715 485 HZ3 LYS 64 HZ3 LYS 64 23.272 26.191 5.609 486 H SER 65 H SER 65 21.907 25.926 -0.519 487 HA SER 65 HA SER 65 21.198 27.917 -2.604 488 HB2 SER 65 HB2 SER 65 23.434 27.045 -3.176 489 HB3 SER 65 HB3 SER 65 22.805 25.383 -3.105 490 HG SER 65 HG SER 65 22.829 26.273 -5.233 491 H THR 66 H THR 66 21.001 24.463 -1.551 492 HA THR 66 HA THR 66 18.147 24.482 -2.317 493 HB THR 66 HB THR 66 18.409 22.276 -3.434 494 HG1 THR 66 HG1 THR 66 20.391 21.685 -2.531 495 HG21 THR 66 HG21 THR 66 19.327 23.098 -5.541 496 HG22 THR 66 HG22 THR 66 18.328 24.359 -4.782 497 HG23 THR 66 HG23 THR 66 20.109 24.454 -4.710 498 HA PRO 67 HA PRO 67 19.542 22.111 1.556 499 HB2 PRO 67 HB2 PRO 67 18.679 23.716 3.574 500 HB3 PRO 67 HB3 PRO 67 20.235 24.013 2.727 501 HG2 PRO 67 HG2 PRO 67 17.533 25.280 2.147 502 HG3 PRO 67 HG3 PRO 67 19.095 26.119 2.450 503 HD2 PRO 67 HD2 PRO 67 18.247 25.627 -0.081 504 HD3 PRO 67 HD3 PRO 67 19.972 25.420 0.365 505 H VAL 68 H VAL 68 16.568 23.439 0.329 506 HA VAL 68 HA VAL 68 14.829 22.202 2.292 507 HB VAL 68 HB VAL 68 14.270 23.311 -0.486 508 HG11 VAL 68 HG11 VAL 68 12.437 22.517 1.815 509 HG12 VAL 68 HG12 VAL 68 11.916 23.459 0.400 510 HG13 VAL 68 HG13 VAL 68 12.481 21.792 0.189 511 HG21 VAL 68 HG21 VAL 68 13.427 25.267 0.828 512 HG22 VAL 68 HG22 VAL 68 13.997 24.490 2.317 513 HG23 VAL 68 HG23 VAL 68 15.162 25.005 1.080 514 H ALA 69 H ALA 69 16.473 21.122 -0.642 515 HA ALA 69 HA ALA 69 14.752 18.873 -1.149 516 HB1 ALA 69 HB1 ALA 69 16.616 18.090 -2.538 517 HB2 ALA 69 HB2 ALA 69 16.364 19.829 -2.802 518 HB3 ALA 69 HB3 ALA 69 17.714 19.259 -1.785 519 H GLU 70 H GLU 70 17.340 19.558 1.140 520 HA GLU 70 HA GLU 70 17.759 16.746 1.801 521 HB2 GLU 70 HB2 GLU 70 18.786 19.301 3.082 522 HB3 GLU 70 HB3 GLU 70 19.298 17.652 3.499 523 HG2 GLU 70 HG2 GLU 70 19.995 17.293 1.129 524 HG3 GLU 70 HG3 GLU 70 19.566 18.961 0.749 525 H ALA 71 H ALA 71 15.567 19.288 2.764 526 HA ALA 71 HA ALA 71 14.881 18.084 5.313 527 HB1 ALA 71 HB1 ALA 71 13.328 19.986 3.500 528 HB2 ALA 71 HB2 ALA 71 12.938 19.601 5.187 529 HB3 ALA 71 HB3 ALA 71 14.439 20.471 4.803 530 H LEU 72 H LEU 72 13.878 17.744 1.900 531 HA LEU 72 HA LEU 72 11.701 15.922 2.478 532 HB2 LEU 72 HB2 LEU 72 13.383 16.335 -0.031 533 HB3 LEU 72 HB3 LEU 72 11.883 15.402 0.047 534 HG LEU 72 HG LEU 72 12.129 18.383 0.644 535 HD11 LEU 72 HD11 LEU 72 10.888 18.640 -1.475 536 HD12 LEU 72 HD12 LEU 72 12.447 17.829 -1.744 537 HD13 LEU 72 HD13 LEU 72 10.941 16.881 -1.725 538 HD21 LEU 72 HD21 LEU 72 9.697 16.554 0.454 539 HD22 LEU 72 HD22 LEU 72 10.289 17.366 1.925 540 HD23 LEU 72 HD23 LEU 72 9.641 18.323 0.582 541 H ALA 73 H ALA 73 15.206 15.633 2.102 542 HA ALA 73 HA ALA 73 15.198 12.749 1.892 543 HB1 ALA 73 HB1 ALA 73 17.061 14.178 1.099 544 HB2 ALA 73 HB2 ALA 73 17.390 14.670 2.775 545 HB3 ALA 73 HB3 ALA 73 17.610 12.973 2.286 546 H ALA 74 H ALA 74 14.934 15.051 4.551 547 HA ALA 74 HA ALA 74 15.562 13.101 6.613 548 HB1 ALA 74 HB1 ALA 74 14.739 14.852 8.128 549 HB2 ALA 74 HB2 ALA 74 15.856 15.540 6.930 550 HB3 ALA 74 HB3 ALA 74 14.102 15.771 6.746 551 H ARG 75 H ARG 75 12.812 13.942 4.647 552 HA ARG 75 HA ARG 75 10.972 12.326 6.301 553 HB2 ARG 75 HB2 ARG 75 10.536 13.808 3.678 554 HB3 ARG 75 HB3 ARG 75 9.282 12.990 4.624 555 HG2 ARG 75 HG2 ARG 75 10.958 15.350 5.578 556 HG3 ARG 75 HG3 ARG 75 9.280 15.426 5.004 557 HD2 ARG 75 HD2 ARG 75 8.607 13.886 6.849 558 HD3 ARG 75 HD3 ARG 75 10.277 13.890 7.441 559 HE ARG 75 HE ARG 75 9.988 16.009 8.318 560 HH11 ARG 75 HH11 ARG 75 7.223 15.218 6.238 561 HH12 ARG 75 HH12 ARG 75 6.314 16.625 6.767 562 HH21 ARG 75 HH21 ARG 75 8.729 17.809 8.964 563 HH22 ARG 75 HH22 ARG 75 7.131 18.037 8.274 564 H ASP 76 H ASP 76 13.449 11.451 4.547 565 HA ASP 76 HA ASP 76 14.067 9.716 3.290 566 HB2 ASP 76 HB2 ASP 76 13.025 8.527 5.194 567 HB3 ASP 76 HB3 ASP 76 11.532 8.372 4.254 568 H ILE 77 H ILE 77 12.328 11.808 2.041 569 HA ILE 77 HA ILE 77 11.174 10.274 -0.213 570 HB ILE 77 HB ILE 77 11.079 13.237 0.462 571 HG12 ILE 77 HG12 ILE 77 8.967 11.041 0.660 572 HG13 ILE 77 HG13 ILE 77 9.811 11.778 2.031 573 HG21 ILE 77 HG21 ILE 77 9.437 13.390 -1.352 574 HG22 ILE 77 HG22 ILE 77 10.966 12.763 -1.973 575 HG23 ILE 77 HG23 ILE 77 9.610 11.644 -1.671 576 HD11 ILE 77 HD11 ILE 77 7.914 13.196 0.114 577 HD12 ILE 77 HD12 ILE 77 7.633 12.803 1.818 578 HD13 ILE 77 HD13 ILE 77 8.874 14.001 1.383 579 HA PRO 78 HA PRO 78 15.061 11.114 -2.290 580 HB2 PRO 78 HB2 PRO 78 14.609 9.794 -4.614 581 HB3 PRO 78 HB3 PRO 78 14.792 8.911 -3.066 582 HG2 PRO 78 HG2 PRO 78 12.213 9.754 -4.429 583 HG3 PRO 78 HG3 PRO 78 12.646 8.125 -3.805 584 HD2 PRO 78 HD2 PRO 78 11.167 9.902 -2.350 585 HD3 PRO 78 HD3 PRO 78 12.347 8.808 -1.570 586 H PHE 79 H PHE 79 15.835 12.344 -4.097 587 HA PHE 79 HA PHE 79 13.866 13.731 -5.774 588 HB2 PHE 79 HB2 PHE 79 14.633 15.949 -5.173 589 HB3 PHE 79 HB3 PHE 79 13.993 15.132 -3.753 590 HD1 PHE 79 HD1 PHE 79 17.078 16.352 -5.422 591 HD2 PHE 79 HD2 PHE 79 15.417 14.552 -1.888 592 HE1 PHE 79 HE1 PHE 79 19.177 16.829 -4.194 593 HE2 PHE 79 HE2 PHE 79 17.528 15.045 -0.659 594 HZ PHE 79 HZ PHE 79 19.386 16.179 -1.794 595 H VAL 80 H VAL 80 14.973 15.167 -7.385 596 HA VAL 80 HA VAL 80 17.762 14.358 -8.009 597 HB VAL 80 HB VAL 80 15.410 14.252 -9.943 598 HG11 VAL 80 HG11 VAL 80 18.386 13.729 -10.362 599 HG12 VAL 80 HG12 VAL 80 17.102 13.372 -11.545 600 HG13 VAL 80 HG13 VAL 80 17.431 15.046 -11.075 601 HG21 VAL 80 HG21 VAL 80 15.957 11.840 -10.097 602 HG22 VAL 80 HG22 VAL 80 17.196 12.043 -8.840 603 HG23 VAL 80 HG23 VAL 80 15.479 12.290 -8.451 604 H PHE 81 H PHE 81 18.962 16.018 -8.951 605 HA PHE 81 HA PHE 81 17.743 18.688 -8.916 606 HB2 PHE 81 HB2 PHE 81 20.534 17.701 -9.599 607 HB3 PHE 81 HB3 PHE 81 20.056 19.394 -9.593 608 HD1 PHE 81 HD1 PHE 81 22.051 17.423 -7.859 609 HD2 PHE 81 HD2 PHE 81 18.486 19.715 -7.156 610 HE1 PHE 81 HE1 PHE 81 22.693 17.680 -5.467 611 HE2 PHE 81 HE2 PHE 81 19.098 19.919 -4.756 612 HZ PHE 81 HZ PHE 81 21.198 18.910 -3.919 613 H ALA 82 H ALA 82 17.516 20.072 -10.704 614 HA ALA 82 HA ALA 82 18.046 18.892 -13.378 615 HB1 ALA 82 HB1 ALA 82 15.655 18.547 -12.876 616 HB2 ALA 82 HB2 ALA 82 15.469 20.280 -12.527 617 HB3 ALA 82 HB3 ALA 82 15.873 19.745 -14.173 618 H THR 83 H THR 83 19.087 20.274 -14.710 619 HA THR 83 HA THR 83 18.808 23.163 -14.464 620 HB THR 83 HB THR 83 20.339 22.627 -12.601 621 HG1 THR 83 HG1 THR 83 21.953 24.067 -13.274 622 HG21 THR 83 HG21 THR 83 22.618 21.804 -13.070 623 HG22 THR 83 HG22 THR 83 21.398 20.588 -13.506 624 HG23 THR 83 HG23 THR 83 22.185 21.552 -14.774 625 H GLY 84 H GLY 84 20.359 24.266 -16.044 626 HA2 GLY 84 HA2 GLY 84 20.343 22.825 -18.591 627 HA3 GLY 84 HA3 GLY 84 20.858 24.493 -18.310 628 H GLY 85 H GLY 85 22.451 23.192 -19.997 629 HA2 GLY 85 HA2 GLY 85 24.522 21.625 -18.736 630 HA3 GLY 85 HA3 GLY 85 24.569 22.319 -20.363 631 H SER 86 H SER 86 25.609 22.613 -17.094 632 HA SER 86 HA SER 86 27.387 24.853 -17.799 633 HB2 SER 86 HB2 SER 86 25.493 24.938 -15.422 634 HB3 SER 86 HB3 SER 86 26.778 26.117 -15.767 635 HG SER 86 HG SER 86 25.689 26.601 -17.723 636 H ASP 87 H ASP 87 29.267 24.902 -16.527 637 HA ASP 87 HA ASP 87 29.677 22.460 -14.882 638 HB2 ASP 87 HB2 ASP 87 31.656 24.249 -16.328 639 HB3 ASP 87 HB3 ASP 87 32.075 22.809 -15.394 640 H ASP 88 H ASP 88 28.989 25.690 -14.404 641 HA ASP 88 HA ASP 88 30.544 25.724 -11.865 642 HB2 ASP 88 HB2 ASP 88 31.607 27.115 -13.626 643 HB3 ASP 88 HB3 ASP 88 30.115 28.065 -13.745 644 H SER 89 H SER 89 27.494 25.640 -13.168 645 HA SER 89 HA SER 89 26.290 27.551 -11.272 646 HB2 SER 89 HB2 SER 89 24.995 25.676 -13.287 647 HB3 SER 89 HB3 SER 89 24.176 26.962 -12.370 648 HG SER 89 HG SER 89 24.806 27.653 -14.467 649 H VAL 90 H VAL 90 27.611 24.650 -10.815 650 HA VAL 90 HA VAL 90 25.707 23.912 -8.675 651 HB VAL 90 HB VAL 90 26.049 21.493 -9.312 652 HG11 VAL 90 HG11 VAL 90 24.242 21.474 -10.961 653 HG12 VAL 90 HG12 VAL 90 23.924 22.650 -9.674 654 HG13 VAL 90 HG13 VAL 90 24.486 23.208 -11.278 655 HG21 VAL 90 HG21 VAL 90 26.865 22.681 -11.997 656 HG22 VAL 90 HG22 VAL 90 27.937 21.804 -10.886 657 HG23 VAL 90 HG23 VAL 90 26.564 20.965 -11.643 658 H ASP 91 H ASP 91 26.609 22.644 -7.017 659 HA ASP 91 HA ASP 91 29.566 22.893 -6.782 660 HB2 ASP 91 HB2 ASP 91 27.396 22.530 -4.683 661 HB3 ASP 91 HB3 ASP 91 29.132 22.673 -4.360 662 H SER 92 H SER 92 30.453 21.089 -5.193 663 HA SER 92 HA SER 92 30.296 18.676 -6.692 664 HB2 SER 92 HB2 SER 92 31.468 19.212 -3.936 665 HB3 SER 92 HB3 SER 92 31.792 17.782 -4.943 666 HG SER 92 HG SER 92 33.369 19.430 -5.206 667 H ARG 93 H ARG 93 28.153 19.848 -4.269 668 HA ARG 93 HA ARG 93 27.358 17.227 -3.271 669 HB2 ARG 93 HB2 ARG 93 25.793 19.830 -3.190 670 HB3 ARG 93 HB3 ARG 93 25.603 18.407 -2.142 671 HG2 ARG 93 HG2 ARG 93 28.019 18.795 -1.388 672 HG3 ARG 93 HG3 ARG 93 27.956 20.336 -2.261 673 HD2 ARG 93 HD2 ARG 93 27.415 20.868 -0.021 674 HD3 ARG 93 HD3 ARG 93 25.866 20.876 -0.879 675 HE ARG 93 HE ARG 93 26.810 18.457 0.601 676 HH11 ARG 93 HH11 ARG 93 24.366 20.990 0.173 677 HH12 ARG 93 HH12 ARG 93 23.248 20.245 1.294 678 HH21 ARG 93 HH21 ARG 93 25.351 17.546 2.065 679 HH22 ARG 93 HH22 ARG 93 23.791 18.290 2.335 680 H PHE 94 H PHE 94 26.632 19.211 -6.053 681 HA PHE 94 HA PHE 94 24.296 17.601 -6.829 682 HB2 PHE 94 HB2 PHE 94 25.892 19.681 -8.348 683 HB3 PHE 94 HB3 PHE 94 24.319 19.027 -8.810 684 HD1 PHE 94 HD1 PHE 94 22.384 20.211 -8.245 685 HD2 PHE 94 HD2 PHE 94 26.000 20.928 -6.038 686 HE1 PHE 94 HE1 PHE 94 21.266 22.043 -7.006 687 HE2 PHE 94 HE2 PHE 94 24.889 22.780 -4.818 688 HZ PHE 94 HZ PHE 94 22.518 23.332 -5.295 689 H ARG 95 H ARG 95 27.770 17.651 -7.170 690 HA ARG 95 HA ARG 95 27.793 15.863 -9.497 691 HB2 ARG 95 HB2 ARG 95 30.036 16.726 -7.633 692 HB3 ARG 95 HB3 ARG 95 30.214 15.911 -9.200 693 HG2 ARG 95 HG2 ARG 95 29.148 17.842 -10.334 694 HG3 ARG 95 HG3 ARG 95 28.994 18.674 -8.776 695 HD2 ARG 95 HD2 ARG 95 31.472 18.573 -8.500 696 HD3 ARG 95 HD3 ARG 95 31.603 17.783 -10.071 697 HE ARG 95 HE ARG 95 30.679 19.823 -11.110 698 HH11 ARG 95 HH11 ARG 95 31.967 20.146 -7.808 699 HH12 ARG 95 HH12 ARG 95 32.241 21.862 -7.983 700 HH21 ARG 95 HH21 ARG 95 31.075 22.057 -11.276 701 HH22 ARG 95 HH22 ARG 95 31.742 22.926 -9.920 702 H ASP 96 H ASP 96 27.364 15.543 -6.115 703 HA ASP 96 HA ASP 96 28.204 12.693 -6.166 704 HB2 ASP 96 HB2 ASP 96 29.127 14.158 -4.399 705 HB3 ASP 96 HB3 ASP 96 27.491 14.532 -3.856 706 H ARG 97 H ARG 97 25.410 14.742 -6.275 707 HA ARG 97 HA ARG 97 23.633 12.435 -5.635 708 HB2 ARG 97 HB2 ARG 97 23.175 15.437 -5.606 709 HB3 ARG 97 HB3 ARG 97 21.870 14.248 -5.439 710 HG2 ARG 97 HG2 ARG 97 22.951 13.283 -3.457 711 HG3 ARG 97 HG3 ARG 97 24.299 14.430 -3.606 712 HD2 ARG 97 HD2 ARG 97 22.791 16.314 -3.280 713 HD3 ARG 97 HD3 ARG 97 21.386 15.228 -3.238 714 HE ARG 97 HE ARG 97 22.842 14.192 -1.235 715 HH11 ARG 97 HH11 ARG 97 22.106 17.572 -1.978 716 HH12 ARG 97 HH12 ARG 97 22.119 18.067 -0.301 717 HH21 ARG 97 HH21 ARG 97 22.847 14.866 0.944 718 HH22 ARG 97 HH22 ARG 97 22.519 16.532 1.352 719 HA PRO 98 HA PRO 98 22.255 11.988 -9.745 720 HB2 PRO 98 HB2 PRO 98 19.442 12.509 -8.801 721 HB3 PRO 98 HB3 PRO 98 20.060 11.151 -9.799 722 HG2 PRO 98 HG2 PRO 98 19.543 10.760 -7.180 723 HG3 PRO 98 HG3 PRO 98 21.070 10.123 -7.881 724 HD2 PRO 98 HD2 PRO 98 20.652 12.698 -6.336 725 HD3 PRO 98 HD3 PRO 98 21.916 11.445 -6.108 726 H VAL 99 H VAL 99 21.689 13.130 -11.617 727 HA VAL 99 HA VAL 99 20.665 15.892 -11.348 728 HB VAL 99 HB VAL 99 22.431 16.682 -12.919 729 HG11 VAL 99 HG11 VAL 99 23.457 15.608 -10.265 730 HG12 VAL 99 HG12 VAL 99 24.169 16.935 -11.214 731 HG13 VAL 99 HG13 VAL 99 22.559 17.127 -10.489 732 HG21 VAL 99 HG21 VAL 99 24.514 15.399 -13.131 733 HG22 VAL 99 HG22 VAL 99 23.809 14.056 -12.205 734 HG23 VAL 99 HG23 VAL 99 23.149 14.477 -13.802 735 H LEU 100 H LEU 100 19.852 16.774 -13.309 736 HA LEU 100 HA LEU 100 19.504 14.941 -15.594 737 HB2 LEU 100 HB2 LEU 100 17.639 14.510 -13.989 738 HB3 LEU 100 HB3 LEU 100 17.234 16.230 -14.028 739 HG LEU 100 HG LEU 100 16.727 16.030 -16.470 740 HD11 LEU 100 HD11 LEU 100 17.215 13.055 -15.981 741 HD12 LEU 100 HD12 LEU 100 16.522 13.768 -17.453 742 HD13 LEU 100 HD13 LEU 100 18.208 14.108 -17.017 743 HD21 LEU 100 HD21 LEU 100 14.967 15.775 -14.773 744 HD22 LEU 100 HD22 LEU 100 14.656 14.732 -16.179 745 HD23 LEU 100 HD23 LEU 100 15.302 14.031 -14.672 746 H GLN 101 H GLN 101 18.854 16.086 -17.532 747 HA GLN 101 HA GLN 101 19.737 18.869 -17.585 748 HB2 GLN 101 HB2 GLN 101 18.635 17.000 -19.710 749 HB3 GLN 101 HB3 GLN 101 19.237 18.637 -20.035 750 HG2 GLN 101 HG2 GLN 101 20.900 16.424 -18.759 751 HG3 GLN 101 HG3 GLN 101 20.924 16.828 -20.478 752 HE21 GLN 101 HE21 GLN 101 23.801 18.579 -18.900 753 HE22 GLN 101 HE22 GLN 101 23.294 16.916 -19.123 754 H LYS 102 H LYS 102 18.465 20.681 -18.094 755 HA LYS 102 HA LYS 102 15.775 20.535 -17.075 756 HB2 LYS 102 HB2 LYS 102 17.120 22.452 -16.590 757 HB3 LYS 102 HB3 LYS 102 17.359 22.806 -18.313 758 HG2 LYS 102 HG2 LYS 102 15.053 23.352 -18.625 759 HG3 LYS 102 HG3 LYS 102 14.594 22.692 -17.045 760 HD2 LYS 102 HD2 LYS 102 16.478 25.057 -17.361 761 HD3 LYS 102 HD3 LYS 102 14.716 25.218 -17.181 762 HE2 LYS 102 HE2 LYS 102 14.811 23.940 -15.061 763 HE3 LYS 102 HE3 LYS 102 16.575 23.839 -15.193 764 HZ1 LYS 102 HZ1 LYS 102 16.666 26.223 -15.075 765 HZ2 LYS 102 HZ2 LYS 102 15.028 26.336 -15.032 766 HZ3 LYS 102 HZ3 LYS 102 15.832 25.636 -13.777 767 HA PRO 103 HA PRO 103 14.331 21.205 -21.557 768 HB2 PRO 103 HB2 PRO 103 15.897 20.405 -23.649 769 HB3 PRO 103 HB3 PRO 103 15.967 22.061 -22.957 770 HG2 PRO 103 HG2 PRO 103 17.756 19.691 -22.324 771 HG3 PRO 103 HG3 PRO 103 18.255 21.363 -22.746 772 HD2 PRO 103 HD2 PRO 103 18.119 20.516 -20.185 773 HD3 PRO 103 HD3 PRO 103 17.606 22.175 -20.618 774 H PHE 104 H PHE 104 13.009 19.589 -22.421 775 HA PHE 104 HA PHE 104 13.780 16.800 -21.695 776 HB2 PHE 104 HB2 PHE 104 11.278 18.377 -21.272 777 HB3 PHE 104 HB3 PHE 104 11.116 16.681 -21.713 778 HD1 PHE 104 HD1 PHE 104 13.797 18.138 -19.528 779 HD2 PHE 104 HD2 PHE 104 10.216 15.757 -19.767 780 HE1 PHE 104 HE1 PHE 104 14.124 17.399 -17.191 781 HE2 PHE 104 HE2 PHE 104 10.557 15.024 -17.429 782 HZ PHE 104 HZ PHE 104 12.508 15.840 -16.139 783 H THR 105 H THR 105 13.175 15.135 -22.974 784 HA THR 105 HA THR 105 11.774 15.603 -25.533 785 HB THR 105 HB THR 105 13.464 14.283 -26.755 786 HG1 THR 105 HG1 THR 105 15.463 13.927 -25.731 787 HG21 THR 105 HG21 THR 105 14.744 16.674 -25.363 788 HG22 THR 105 HG22 THR 105 15.226 15.968 -26.922 789 HG23 THR 105 HG23 THR 105 13.648 16.771 -26.761 790 H MET 106 H MET 106 11.211 13.339 -26.489 791 HA MET 106 HA MET 106 9.938 11.871 -24.398 792 HB2 MET 106 HB2 MET 106 9.125 12.104 -26.734 793 HB3 MET 106 HB3 MET 106 10.447 11.051 -27.281 794 HG2 MET 106 HG2 MET 106 9.592 9.218 -25.908 795 HG3 MET 106 HG3 MET 106 8.347 10.270 -25.213 796 HE1 MET 106 HE1 MET 106 7.209 11.899 -27.670 797 HE2 MET 106 HE2 MET 106 5.853 10.840 -28.108 798 HE3 MET 106 HE3 MET 106 6.250 11.114 -26.395 799 H ASP 107 H ASP 107 13.078 11.506 -26.014 800 HA ASP 107 HA ASP 107 13.539 8.853 -24.843 801 HB2 ASP 107 HB2 ASP 107 14.454 9.451 -27.040 802 HB3 ASP 107 HB3 ASP 107 15.340 10.806 -26.322 803 H GLY 108 H GLY 108 14.234 12.259 -24.104 804 HA2 GLY 108 HA2 GLY 108 16.276 11.684 -22.134 805 HA3 GLY 108 HA3 GLY 108 15.475 13.237 -22.438 806 H VAL 109 H VAL 109 12.735 11.893 -22.071 807 HA VAL 109 HA VAL 109 12.723 12.194 -19.156 808 HB VAL 109 HB VAL 109 11.043 13.309 -20.595 809 HG11 VAL 109 HG11 VAL 109 10.727 11.480 -22.253 810 HG12 VAL 109 HG12 VAL 109 9.959 10.486 -20.996 811 HG13 VAL 109 HG13 VAL 109 9.189 11.996 -21.531 812 HG21 VAL 109 HG21 VAL 109 9.157 12.837 -19.132 813 HG22 VAL 109 HG22 VAL 109 9.860 11.277 -18.657 814 HG23 VAL 109 HG23 VAL 109 10.661 12.795 -18.187 815 H ALA 110 H ALA 110 12.494 9.569 -21.552 816 HA ALA 110 HA ALA 110 11.492 7.593 -19.714 817 HB1 ALA 110 HB1 ALA 110 11.477 7.319 -22.176 818 HB2 ALA 110 HB2 ALA 110 13.256 7.324 -22.192 819 HB3 ALA 110 HB3 ALA 110 12.378 6.003 -21.389 820 H LYS 111 H LYS 111 14.648 9.008 -20.381 821 HA LYS 111 HA LYS 111 16.089 7.108 -18.667 822 HB2 LYS 111 HB2 LYS 111 16.898 9.641 -20.145 823 HB3 LYS 111 HB3 LYS 111 18.018 8.622 -19.219 824 HG2 LYS 111 HG2 LYS 111 17.582 6.714 -20.649 825 HG3 LYS 111 HG3 LYS 111 16.281 7.570 -21.492 826 HD2 LYS 111 HD2 LYS 111 17.874 9.213 -22.375 827 HD3 LYS 111 HD3 LYS 111 19.210 8.403 -21.525 828 HE2 LYS 111 HE2 LYS 111 18.853 6.366 -22.806 829 HE3 LYS 111 HE3 LYS 111 17.389 7.032 -23.547 830 HZ1 LYS 111 HZ1 LYS 111 19.302 7.173 -24.995 831 HZ2 LYS 111 HZ2 LYS 111 18.701 8.655 -24.648 832 HZ3 LYS 111 HZ3 LYS 111 20.090 8.137 -23.917 833 H ALA 112 H ALA 112 14.391 10.161 -18.337 834 HA ALA 112 HA ALA 112 15.733 10.975 -15.895 835 HB1 ALA 112 HB1 ALA 112 13.018 11.725 -17.064 836 HB2 ALA 112 HB2 ALA 112 13.846 12.567 -15.744 837 HB3 ALA 112 HB3 ALA 112 14.551 12.575 -17.382 838 H LEU 113 H LEU 113 12.836 9.050 -16.743 839 HA LEU 113 HA LEU 113 12.065 8.755 -13.941 840 HB2 LEU 113 HB2 LEU 113 11.172 7.356 -16.494 841 HB3 LEU 113 HB3 LEU 113 10.453 7.077 -14.900 842 HG LEU 113 HG LEU 113 10.515 9.760 -16.346 843 HD11 LEU 113 HD11 LEU 113 8.238 7.799 -15.824 844 HD12 LEU 113 HD12 LEU 113 8.095 9.381 -16.620 845 HD13 LEU 113 HD13 LEU 113 9.019 8.079 -17.397 846 HD21 LEU 113 HD21 LEU 113 10.493 10.079 -13.912 847 HD22 LEU 113 HD22 LEU 113 8.888 10.427 -14.575 848 HD23 LEU 113 HD23 LEU 113 9.185 8.883 -13.745 849 H ALA 114 H ALA 114 14.143 7.036 -16.246 850 HA ALA 114 HA ALA 114 14.348 4.642 -14.650 851 HB1 ALA 114 HB1 ALA 114 16.284 5.865 -16.666 852 HB2 ALA 114 HB2 ALA 114 16.302 4.193 -16.071 853 HB3 ALA 114 HB3 ALA 114 14.940 4.768 -17.061 854 H ALA 115 H ALA 115 15.845 7.848 -14.543 855 HA ALA 115 HA ALA 115 17.833 7.006 -12.550 856 HB1 ALA 115 HB1 ALA 115 17.111 9.735 -13.669 857 HB2 ALA 115 HB2 ALA 115 18.509 9.362 -12.633 858 HB3 ALA 115 HB3 ALA 115 18.408 8.671 -14.267 859 H LEU 116 H LEU 116 14.535 8.103 -12.574 860 HA LEU 116 HA LEU 116 14.707 9.270 -9.870 861 HB2 LEU 116 HB2 LEU 116 13.368 10.322 -11.687 862 HB3 LEU 116 HB3 LEU 116 12.381 8.856 -11.785 863 HG LEU 116 HG LEU 116 11.718 9.215 -9.375 864 HD11 LEU 116 HD11 LEU 116 13.072 11.909 -9.832 865 HD12 LEU 116 HD12 LEU 116 12.028 11.504 -8.454 866 HD13 LEU 116 HD13 LEU 116 13.584 10.668 -8.662 867 HD21 LEU 116 HD21 LEU 116 11.109 11.438 -11.358 868 HD22 LEU 116 HD22 LEU 116 10.272 9.867 -11.238 869 HD23 LEU 116 HD23 LEU 116 10.144 11.039 -9.916 870 H LEU 117 H LEU 117 13.461 6.350 -11.514 871 HA LEU 117 HA LEU 117 12.197 5.441 -9.012 872 HB2 LEU 117 HB2 LEU 117 12.074 4.577 -11.902 873 HB3 LEU 117 HB3 LEU 117 11.555 3.487 -10.617 874 HG LEU 117 HG LEU 117 9.931 5.122 -9.793 875 HD11 LEU 117 HD11 LEU 117 10.960 7.250 -10.535 876 HD12 LEU 117 HD12 LEU 117 10.693 6.779 -12.236 877 HD13 LEU 117 HD13 LEU 117 9.314 7.080 -11.158 878 HD21 LEU 117 HD21 LEU 117 9.309 3.419 -11.469 879 HD22 LEU 117 HD22 LEU 117 8.361 4.910 -11.682 880 HD23 LEU 117 HD23 LEU 117 9.723 4.556 -12.774 881 H VAL 118 H VAL 118 15.301 5.391 -10.041 882 HA VAL 118 HA VAL 118 15.798 2.801 -8.656 883 HB VAL 118 HB VAL 118 17.215 3.718 -11.191 884 HG11 VAL 118 HG11 VAL 118 18.675 2.481 -9.623 885 HG12 VAL 118 HG12 VAL 118 17.462 1.186 -9.507 886 HG13 VAL 118 HG13 VAL 118 18.299 1.496 -11.048 887 HG21 VAL 118 HG21 VAL 118 14.952 2.873 -11.695 888 HG22 VAL 118 HG22 VAL 118 16.181 1.701 -12.201 889 HG23 VAL 118 HG23 VAL 118 15.257 1.429 -10.702 Start of MODEL 14 1 H1 MET 1 H1 NME 1 11.733 -4.868 -1.041 2 H2 MET 1 H2 NME 1 10.194 -4.359 -0.749 3 H3 MET 1 H3 NME 1 11.462 -3.512 -0.143 4 HA MET 1 HA NME 1 12.209 -2.897 -2.299 5 HB2 MET 1 HB2 NME 1 10.887 -3.428 -4.276 6 HB3 MET 1 HB3 NME 1 11.451 -4.901 -3.490 7 HG2 MET 1 HG2 NME 1 9.230 -5.189 -2.427 8 HG3 MET 1 HG3 NME 1 8.674 -3.687 -3.167 9 HE1 MET 1 HE1 NME 1 10.905 -6.577 -4.789 10 HE2 MET 1 HE2 NME 1 9.746 -7.383 -3.701 11 HE3 MET 1 HE3 NME 1 9.611 -7.591 -5.464 12 H SER 2 H SER 2 11.191 -1.122 -3.626 13 HA SER 2 HA SER 2 8.723 0.017 -2.501 14 HB2 SER 2 HB2 SER 2 10.561 0.780 -0.994 15 HB3 SER 2 HB3 SER 2 11.377 1.503 -2.400 16 HG SER 2 HG SER 2 10.056 2.994 -1.236 17 H ALA 3 H ALA 3 8.108 2.036 -3.715 18 HA ALA 3 HA ALA 3 9.322 2.329 -6.395 19 HB1 ALA 3 HB1 ALA 3 7.115 2.052 -7.486 20 HB2 ALA 3 HB2 ALA 3 7.627 0.557 -6.668 21 HB3 ALA 3 HB3 ALA 3 6.406 1.609 -5.919 22 H LEU 4 H LEU 4 8.377 4.201 -7.571 23 HA LEU 4 HA LEU 4 7.100 6.188 -5.822 24 HB2 LEU 4 HB2 LEU 4 8.733 7.918 -6.535 25 HB3 LEU 4 HB3 LEU 4 9.402 6.719 -5.437 26 HG LEU 4 HG LEU 4 9.789 6.444 -8.438 27 HD11 LEU 4 HD11 LEU 4 10.551 8.704 -7.777 28 HD12 LEU 4 HD12 LEU 4 11.492 7.995 -6.439 29 HD13 LEU 4 HD13 LEU 4 11.933 7.643 -8.122 30 HD21 LEU 4 HD21 LEU 4 10.442 4.486 -7.094 31 HD22 LEU 4 HD22 LEU 4 11.888 5.333 -7.668 32 HD23 LEU 4 HD23 LEU 4 11.355 5.539 -5.985 33 H THR 5 H THR 5 5.344 5.454 -7.226 34 HA THR 5 HA THR 5 5.355 6.312 -10.005 35 HB THR 5 HB THR 5 2.769 5.973 -9.515 36 HG1 THR 5 HG1 THR 5 2.486 4.505 -7.813 37 HG21 THR 5 HG21 THR 5 4.787 3.696 -9.525 38 HG22 THR 5 HG22 THR 5 3.048 3.567 -9.926 39 HG23 THR 5 HG23 THR 5 4.116 4.544 -10.948 40 H GLN 6 H GLN 6 5.333 8.062 -7.129 41 HA GLN 6 HA GLN 6 3.647 10.162 -8.388 42 HB2 GLN 6 HB2 GLN 6 3.872 9.349 -5.453 43 HB3 GLN 6 HB3 GLN 6 3.000 10.760 -6.044 44 HG2 GLN 6 HG2 GLN 6 1.650 9.256 -7.556 45 HG3 GLN 6 HG3 GLN 6 2.504 7.856 -6.905 46 HE21 GLN 6 HE21 GLN 6 -0.588 7.688 -5.133 47 HE22 GLN 6 HE22 GLN 6 0.209 7.260 -6.636 48 H ILE 7 H ILE 7 4.682 11.872 -8.953 49 HA ILE 7 HA ILE 7 7.177 12.626 -7.501 50 HB ILE 7 HB ILE 7 6.610 13.038 -10.447 51 HG12 ILE 7 HG12 ILE 7 6.636 10.627 -10.154 52 HG13 ILE 7 HG13 ILE 7 8.117 11.164 -10.939 53 HG21 ILE 7 HG21 ILE 7 9.136 13.163 -8.757 54 HG22 ILE 7 HG22 ILE 7 9.075 13.330 -10.530 55 HG23 ILE 7 HG23 ILE 7 8.275 14.530 -9.498 56 HD11 ILE 7 HD11 ILE 7 9.350 10.963 -8.812 57 HD12 ILE 7 HD12 ILE 7 7.836 10.470 -7.993 58 HD13 ILE 7 HD13 ILE 7 8.551 9.434 -9.238 59 H LEU 8 H LEU 8 7.251 14.692 -6.767 60 HA LEU 8 HA LEU 8 5.098 16.566 -7.513 61 HB2 LEU 8 HB2 LEU 8 6.203 16.059 -5.128 62 HB3 LEU 8 HB3 LEU 8 7.358 17.275 -5.667 63 HG LEU 8 HG LEU 8 4.358 17.561 -5.247 64 HD11 LEU 8 HD11 LEU 8 6.775 18.952 -4.025 65 HD12 LEU 8 HD12 LEU 8 5.071 19.251 -3.609 66 HD13 LEU 8 HD13 LEU 8 5.817 17.674 -3.245 67 HD21 LEU 8 HD21 LEU 8 4.776 18.943 -7.176 68 HD22 LEU 8 HD22 LEU 8 4.696 20.001 -5.766 69 HD23 LEU 8 HD23 LEU 8 6.279 19.588 -6.450 70 H ILE 9 H ILE 9 5.436 18.461 -8.668 71 HA ILE 9 HA ILE 9 8.037 18.698 -10.102 72 HB ILE 9 HB ILE 9 5.218 19.643 -10.728 73 HG12 ILE 9 HG12 ILE 9 6.905 17.647 -12.272 74 HG13 ILE 9 HG13 ILE 9 5.831 17.140 -10.957 75 HG21 ILE 9 HG21 ILE 9 6.108 20.371 -12.905 76 HG22 ILE 9 HG22 ILE 9 6.910 21.240 -11.594 77 HG23 ILE 9 HG23 ILE 9 7.753 19.901 -12.401 78 HD11 ILE 9 HD11 ILE 9 4.890 18.727 -13.381 79 HD12 ILE 9 HD12 ILE 9 4.742 16.966 -13.181 80 HD13 ILE 9 HD13 ILE 9 3.893 18.060 -12.068 81 H VAL 10 H VAL 10 9.358 20.337 -9.482 82 HA VAL 10 HA VAL 10 8.116 22.806 -8.369 83 HB VAL 10 HB VAL 10 10.683 21.522 -7.357 84 HG11 VAL 10 HG11 VAL 10 10.432 23.161 -5.532 85 HG12 VAL 10 HG12 VAL 10 10.542 23.967 -7.110 86 HG13 VAL 10 HG13 VAL 10 8.966 23.806 -6.293 87 HG21 VAL 10 HG21 VAL 10 7.920 21.466 -6.091 88 HG22 VAL 10 HG22 VAL 10 8.833 20.065 -6.703 89 HG23 VAL 10 HG23 VAL 10 9.433 20.961 -5.300 90 H GLU 11 H GLU 11 8.589 24.405 -9.812 91 HA GLU 11 HA GLU 11 11.367 24.594 -10.821 92 HB2 GLU 11 HB2 GLU 11 8.919 24.408 -12.618 93 HB3 GLU 11 HB3 GLU 11 10.507 25.003 -13.132 94 HG2 GLU 11 HG2 GLU 11 11.495 22.811 -12.329 95 HG3 GLU 11 HG3 GLU 11 9.832 22.210 -12.143 96 H ASP 12 H ASP 12 11.801 26.588 -11.970 97 HA ASP 12 HA ASP 12 10.530 28.856 -10.607 98 HB2 ASP 12 HB2 ASP 12 12.531 30.058 -11.242 99 HB3 ASP 12 HB3 ASP 12 12.991 28.505 -10.527 100 H GLU 13 H GLU 13 9.878 27.248 -13.414 101 HA GLU 13 HA GLU 13 8.903 29.732 -14.711 102 HB2 GLU 13 HB2 GLU 13 10.398 27.474 -16.089 103 HB3 GLU 13 HB3 GLU 13 9.518 28.764 -16.927 104 HG2 GLU 13 HG2 GLU 13 10.966 30.459 -15.847 105 HG3 GLU 13 HG3 GLU 13 11.882 29.168 -15.051 106 HA PRO 14 HA PRO 14 5.279 27.177 -14.739 107 HB2 PRO 14 HB2 PRO 14 3.554 28.825 -16.021 108 HB3 PRO 14 HB3 PRO 14 4.225 29.241 -14.408 109 HG2 PRO 14 HG2 PRO 14 5.216 30.153 -17.127 110 HG3 PRO 14 HG3 PRO 14 4.834 31.170 -15.693 111 HD2 PRO 14 HD2 PRO 14 7.387 30.338 -16.245 112 HD3 PRO 14 HD3 PRO 14 6.781 30.473 -14.565 113 H LEU 15 H LEU 15 6.998 28.201 -17.613 114 HA LEU 15 HA LEU 15 5.191 26.894 -19.492 115 HB2 LEU 15 HB2 LEU 15 8.035 27.931 -19.828 116 HB3 LEU 15 HB3 LEU 15 6.948 27.441 -21.135 117 HG LEU 15 HG LEU 15 6.479 29.756 -19.205 118 HD11 LEU 15 HD11 LEU 15 7.161 29.687 -22.173 119 HD12 LEU 15 HD12 LEU 15 6.826 31.144 -21.208 120 HD13 LEU 15 HD13 LEU 15 8.267 30.157 -20.863 121 HD21 LEU 15 HD21 LEU 15 4.337 28.768 -19.906 122 HD22 LEU 15 HD22 LEU 15 4.598 30.308 -20.740 123 HD23 LEU 15 HD23 LEU 15 4.877 28.779 -21.606 124 H ILE 16 H ILE 16 8.354 26.116 -17.954 125 HA ILE 16 HA ILE 16 8.494 23.569 -19.373 126 HB ILE 16 HB ILE 16 10.070 24.543 -16.960 127 HG12 ILE 16 HG12 ILE 16 10.355 26.132 -18.782 128 HG13 ILE 16 HG13 ILE 16 11.821 25.173 -18.572 129 HG21 ILE 16 HG21 ILE 16 10.562 22.320 -18.992 130 HG22 ILE 16 HG22 ILE 16 11.755 22.886 -17.797 131 HG23 ILE 16 HG23 ILE 16 10.251 22.129 -17.259 132 HD11 ILE 16 HD11 ILE 16 11.291 25.473 -20.948 133 HD12 ILE 16 HD12 ILE 16 11.184 23.756 -20.511 134 HD13 ILE 16 HD13 ILE 16 9.702 24.728 -20.727 135 H ALA 17 H ALA 17 7.236 24.782 -16.286 136 HA ALA 17 HA ALA 17 6.934 22.224 -15.036 137 HB1 ALA 17 HB1 ALA 17 5.422 23.445 -13.521 138 HB2 ALA 17 HB2 ALA 17 6.897 24.384 -13.825 139 HB3 ALA 17 HB3 ALA 17 5.378 24.816 -14.654 140 H MET 18 H MET 18 5.031 24.029 -17.435 141 HA MET 18 HA MET 18 2.680 22.353 -17.157 142 HB2 MET 18 HB2 MET 18 2.591 24.667 -18.011 143 HB3 MET 18 HB3 MET 18 3.581 24.196 -19.411 144 HG2 MET 18 HG2 MET 18 1.846 22.588 -20.101 145 HG3 MET 18 HG3 MET 18 0.867 23.027 -18.692 146 HE1 MET 18 HE1 MET 18 -1.212 23.420 -20.249 147 HE2 MET 18 HE2 MET 18 -1.197 24.465 -21.685 148 HE3 MET 18 HE3 MET 18 -0.223 22.972 -21.662 149 H MET 19 H MET 19 5.657 22.331 -19.138 150 HA MET 19 HA MET 19 4.798 20.116 -20.796 151 HB2 MET 19 HB2 MET 19 7.543 21.279 -20.152 152 HB3 MET 19 HB3 MET 19 7.244 20.008 -21.352 153 HG2 MET 19 HG2 MET 19 5.758 21.493 -22.606 154 HG3 MET 19 HG3 MET 19 5.961 22.760 -21.392 155 HE1 MET 19 HE1 MET 19 7.605 20.692 -24.264 156 HE2 MET 19 HE2 MET 19 9.266 21.324 -24.309 157 HE3 MET 19 HE3 MET 19 8.735 20.333 -22.933 158 H LEU 20 H LEU 20 6.170 20.446 -17.569 159 HA LEU 20 HA LEU 20 7.206 17.767 -17.398 160 HB2 LEU 20 HB2 LEU 20 6.942 20.127 -15.714 161 HB3 LEU 20 HB3 LEU 20 6.421 18.694 -14.818 162 HG LEU 20 HG LEU 20 8.818 19.151 -14.488 163 HD11 LEU 20 HD11 LEU 20 8.252 16.615 -16.061 164 HD12 LEU 20 HD12 LEU 20 9.631 16.887 -14.963 165 HD13 LEU 20 HD13 LEU 20 7.980 16.857 -14.324 166 HD21 LEU 20 HD21 LEU 20 9.223 20.185 -16.709 167 HD22 LEU 20 HD22 LEU 20 10.410 18.944 -16.285 168 HD23 LEU 20 HD23 LEU 20 9.119 18.584 -17.465 169 H GLU 21 H GLU 21 4.041 19.282 -16.617 170 HA GLU 21 HA GLU 21 2.959 16.851 -15.496 171 HB2 GLU 21 HB2 GLU 21 1.575 19.280 -16.717 172 HB3 GLU 21 HB3 GLU 21 0.780 17.998 -15.785 173 HG2 GLU 21 HG2 GLU 21 2.278 18.544 -13.844 174 HG3 GLU 21 HG3 GLU 21 2.934 19.896 -14.769 175 H ASP 22 H ASP 22 3.321 18.145 -18.774 176 HA ASP 22 HA ASP 22 1.385 16.362 -19.961 177 HB2 ASP 22 HB2 ASP 22 2.075 18.527 -20.943 178 HB3 ASP 22 HB3 ASP 22 3.706 17.889 -21.198 179 H PHE 23 H PHE 23 4.966 16.208 -19.436 180 HA PHE 23 HA PHE 23 5.211 13.789 -20.990 181 HB2 PHE 23 HB2 PHE 23 6.963 15.441 -19.216 182 HB3 PHE 23 HB3 PHE 23 7.410 13.752 -19.473 183 HD1 PHE 23 HD1 PHE 23 7.731 17.025 -20.801 184 HD2 PHE 23 HD2 PHE 23 7.337 12.902 -21.943 185 HE1 PHE 23 HE1 PHE 23 8.735 17.543 -23.012 186 HE2 PHE 23 HE2 PHE 23 8.363 13.415 -24.145 187 HZ PHE 23 HZ PHE 23 9.052 15.732 -24.684 188 H LEU 24 H LEU 24 4.253 14.434 -17.646 189 HA LEU 24 HA LEU 24 4.759 11.675 -16.845 190 HB2 LEU 24 HB2 LEU 24 3.134 13.913 -15.592 191 HB3 LEU 24 HB3 LEU 24 3.363 12.320 -14.853 192 HG LEU 24 HG LEU 24 5.606 14.271 -15.542 193 HD11 LEU 24 HD11 LEU 24 4.132 14.961 -13.653 194 HD12 LEU 24 HD12 LEU 24 4.438 13.397 -12.866 195 HD13 LEU 24 HD13 LEU 24 5.776 14.544 -13.109 196 HD21 LEU 24 HD21 LEU 24 7.028 12.747 -14.214 197 HD22 LEU 24 HD22 LEU 24 5.667 11.618 -14.044 198 HD23 LEU 24 HD23 LEU 24 6.383 11.930 -15.649 199 H GLU 25 H GLU 25 2.178 13.341 -18.550 200 HA GLU 25 HA GLU 25 0.293 11.144 -18.051 201 HB2 GLU 25 HB2 GLU 25 0.185 13.610 -19.823 202 HB3 GLU 25 HB3 GLU 25 -1.104 12.395 -19.734 203 HG2 GLU 25 HG2 GLU 25 -1.286 12.762 -17.288 204 HG3 GLU 25 HG3 GLU 25 -0.055 14.025 -17.383 205 H VAL 26 H VAL 26 2.804 11.912 -20.374 206 HA VAL 26 HA VAL 26 1.759 10.014 -22.361 207 HB VAL 26 HB VAL 26 4.320 11.645 -22.176 208 HG11 VAL 26 HG11 VAL 26 3.289 9.874 -24.437 209 HG12 VAL 26 HG12 VAL 26 4.628 11.034 -24.582 210 HG13 VAL 26 HG13 VAL 26 4.792 9.639 -23.507 211 HG21 VAL 26 HG21 VAL 26 3.273 12.937 -23.995 212 HG22 VAL 26 HG22 VAL 26 1.858 11.864 -23.965 213 HG23 VAL 26 HG23 VAL 26 2.208 12.916 -22.572 214 H LEU 27 H LEU 27 3.867 9.980 -19.569 215 HA LEU 27 HA LEU 27 4.922 7.312 -20.323 216 HB2 LEU 27 HB2 LEU 27 5.791 9.475 -18.415 217 HB3 LEU 27 HB3 LEU 27 6.270 7.813 -18.108 218 HG LEU 27 HG LEU 27 7.975 9.113 -19.335 219 HD11 LEU 27 HD11 LEU 27 6.828 6.783 -20.928 220 HD12 LEU 27 HD12 LEU 27 8.497 7.368 -20.962 221 HD13 LEU 27 HD13 LEU 27 7.851 6.643 -19.475 222 HD21 LEU 27 HD21 LEU 27 6.455 10.459 -20.787 223 HD22 LEU 27 HD22 LEU 27 7.726 9.622 -21.692 224 HD23 LEU 27 HD23 LEU 27 6.073 8.974 -21.701 225 H ASP 28 H ASP 28 2.121 8.187 -19.194 226 HA ASP 28 HA ASP 28 0.572 7.375 -17.785 227 HB2 ASP 28 HB2 ASP 28 1.080 5.423 -19.241 228 HB3 ASP 28 HB3 ASP 28 2.165 4.803 -17.988 229 H LYS 29 H LYS 29 2.650 8.775 -16.476 230 HA LYS 29 HA LYS 29 3.229 7.355 -13.976 231 HB2 LYS 29 HB2 LYS 29 4.351 9.485 -15.506 232 HB3 LYS 29 HB3 LYS 29 3.820 10.202 -13.979 233 HG2 LYS 29 HG2 LYS 29 5.609 7.748 -14.226 234 HG3 LYS 29 HG3 LYS 29 6.180 9.401 -13.941 235 HD2 LYS 29 HD2 LYS 29 4.699 9.467 -11.889 236 HD3 LYS 29 HD3 LYS 29 4.455 7.715 -12.098 237 HE2 LYS 29 HE2 LYS 29 7.143 9.117 -11.784 238 HE3 LYS 29 HE3 LYS 29 6.274 8.283 -10.493 239 HZ1 LYS 29 HZ1 LYS 29 6.436 6.257 -11.832 240 HZ2 LYS 29 HZ2 LYS 29 7.314 7.062 -12.969 241 HZ3 LYS 29 HZ3 LYS 29 7.918 6.857 -11.457 242 H THR 30 H THR 30 2.667 8.455 -11.846 243 HA THR 30 HA THR 30 -0.067 9.642 -12.025 244 HB THR 30 HB THR 30 1.180 8.103 -9.707 245 HG1 THR 30 HG1 THR 30 0.734 6.810 -11.530 246 HG21 THR 30 HG21 THR 30 -1.160 8.070 -8.905 247 HG22 THR 30 HG22 THR 30 -0.539 9.728 -9.012 248 HG23 THR 30 HG23 THR 30 -1.645 9.110 -10.263 249 HA PRO 31 HA PRO 31 2.570 13.087 -10.507 250 HB2 PRO 31 HB2 PRO 31 1.021 15.136 -11.475 251 HB3 PRO 31 HB3 PRO 31 2.188 14.230 -12.497 252 HG2 PRO 31 HG2 PRO 31 -0.793 13.755 -12.218 253 HG3 PRO 31 HG3 PRO 31 0.165 13.924 -13.729 254 HD2 PRO 31 HD2 PRO 31 -0.462 11.483 -12.717 255 HD3 PRO 31 HD3 PRO 31 1.153 11.785 -13.432 256 H VAL 32 H VAL 32 2.101 14.741 -8.856 257 HA VAL 32 HA VAL 32 -0.473 14.257 -7.427 258 HB VAL 32 HB VAL 32 0.732 14.228 -5.302 259 HG11 VAL 32 HG11 VAL 32 1.612 12.026 -5.452 260 HG12 VAL 32 HG12 VAL 32 0.285 12.112 -6.629 261 HG13 VAL 32 HG13 VAL 32 1.976 12.196 -7.189 262 HG21 VAL 32 HG21 VAL 32 2.732 15.544 -5.897 263 HG22 VAL 32 HG22 VAL 32 3.197 13.943 -5.269 264 HG23 VAL 32 HG23 VAL 32 3.260 14.260 -7.010 265 H GLY 33 H GLY 33 1.714 16.575 -8.705 266 HA2 GLY 33 HA2 GLY 33 0.071 18.737 -8.276 267 HA3 GLY 33 HA3 GLY 33 1.073 18.696 -6.819 268 H THR 34 H THR 34 1.174 20.873 -8.392 269 HA THR 34 HA THR 34 3.997 20.831 -9.289 270 HB THR 34 HB THR 34 1.684 22.040 -10.865 271 HG1 THR 34 HG1 THR 34 1.944 19.823 -11.177 272 HG21 THR 34 HG21 THR 34 3.459 22.622 -12.511 273 HG22 THR 34 HG22 THR 34 3.659 23.488 -10.976 274 HG23 THR 34 HG23 THR 34 4.694 22.087 -11.344 275 H VAL 35 H VAL 35 5.082 22.644 -8.594 276 HA VAL 35 HA VAL 35 3.469 24.871 -7.480 277 HB VAL 35 HB VAL 35 4.949 24.905 -5.478 278 HG11 VAL 35 HG11 VAL 35 3.370 22.320 -5.857 279 HG12 VAL 35 HG12 VAL 35 3.803 23.060 -4.311 280 HG13 VAL 35 HG13 VAL 35 2.680 23.897 -5.406 281 HG21 VAL 35 HG21 VAL 35 5.757 22.113 -6.403 282 HG22 VAL 35 HG22 VAL 35 6.817 23.544 -6.413 283 HG23 VAL 35 HG23 VAL 35 6.202 22.891 -4.875 284 H ASP 36 H ASP 36 4.521 26.849 -7.306 285 HA ASP 36 HA ASP 36 6.581 27.218 -9.379 286 HB2 ASP 36 HB2 ASP 36 4.453 28.461 -9.448 287 HB3 ASP 36 HB3 ASP 36 4.803 29.155 -7.858 288 H THR 37 H THR 37 6.573 26.715 -6.066 289 HA THR 37 HA THR 37 9.281 27.805 -5.808 290 HB THR 37 HB THR 37 7.935 29.725 -5.124 291 HG1 THR 37 HG1 THR 37 8.811 29.910 -3.076 292 HG21 THR 37 HG21 THR 37 6.416 29.590 -3.185 293 HG22 THR 37 HG22 THR 37 5.844 28.550 -4.505 294 HG23 THR 37 HG23 THR 37 6.663 27.832 -3.099 295 H VAL 38 H VAL 38 10.349 26.966 -3.854 296 HA VAL 38 HA VAL 38 9.655 24.194 -3.490 297 HB VAL 38 HB VAL 38 11.967 25.061 -3.579 298 HG11 VAL 38 HG11 VAL 38 12.953 26.176 -1.625 299 HG12 VAL 38 HG12 VAL 38 11.628 27.152 -2.273 300 HG13 VAL 38 HG13 VAL 38 11.381 26.178 -0.802 301 HG21 VAL 38 HG21 VAL 38 11.397 22.883 -2.501 302 HG22 VAL 38 HG22 VAL 38 12.859 23.642 -1.830 303 HG23 VAL 38 HG23 VAL 38 11.331 23.716 -0.928 304 H ALA 39 H ALA 39 8.864 27.146 -1.736 305 HA ALA 39 HA ALA 39 8.281 25.943 0.786 306 HB1 ALA 39 HB1 ALA 39 6.921 27.969 1.144 307 HB2 ALA 39 HB2 ALA 39 8.496 28.378 0.425 308 HB3 ALA 39 HB3 ALA 39 7.028 28.360 -0.585 309 H GLY 40 H GLY 40 6.611 25.988 -2.313 310 HA2 GLY 40 HA2 GLY 40 4.049 25.106 -1.278 311 HA3 GLY 40 HA3 GLY 40 4.582 25.125 -2.973 312 H ALA 41 H ALA 41 7.116 23.556 -2.102 313 HA ALA 41 HA ALA 41 5.967 20.955 -2.606 314 HB1 ALA 41 HB1 ALA 41 8.806 21.737 -1.814 315 HB2 ALA 41 HB2 ALA 41 8.296 20.189 -2.515 316 HB3 ALA 41 HB3 ALA 41 8.175 21.679 -3.481 317 H LEU 42 H LEU 42 7.211 22.697 0.269 318 HA LEU 42 HA LEU 42 6.958 20.376 2.005 319 HB2 LEU 42 HB2 LEU 42 7.169 23.373 2.522 320 HB3 LEU 42 HB3 LEU 42 7.008 22.174 3.804 321 HG LEU 42 HG LEU 42 9.302 22.756 3.641 322 HD11 LEU 42 HD11 LEU 42 8.969 20.038 2.315 323 HD12 LEU 42 HD12 LEU 42 10.342 20.596 3.296 324 HD13 LEU 42 HD13 LEU 42 8.751 20.368 4.052 325 HD21 LEU 42 HD21 LEU 42 9.352 23.585 1.316 326 HD22 LEU 42 HD22 LEU 42 10.682 22.465 1.674 327 HD23 LEU 42 HD23 LEU 42 9.298 21.900 0.721 328 H ALA 43 H ALA 43 4.786 22.882 0.785 329 HA ALA 43 HA ALA 43 2.741 22.432 2.773 330 HB1 ALA 43 HB1 ALA 43 2.588 23.671 -0.002 331 HB2 ALA 43 HB2 ALA 43 1.374 23.824 1.284 332 HB3 ALA 43 HB3 ALA 43 2.988 24.540 1.499 333 H ARG 44 H ARG 44 3.636 20.812 -0.244 334 HA ARG 44 HA ARG 44 1.021 19.464 -0.421 335 HB2 ARG 44 HB2 ARG 44 3.602 19.247 -2.009 336 HB3 ARG 44 HB3 ARG 44 2.155 18.277 -2.344 337 HG2 ARG 44 HG2 ARG 44 2.243 21.322 -2.397 338 HG3 ARG 44 HG3 ARG 44 2.350 20.278 -3.821 339 HD2 ARG 44 HD2 ARG 44 0.004 20.418 -1.889 340 HD3 ARG 44 HD3 ARG 44 0.072 21.151 -3.496 341 HE ARG 44 HE ARG 44 0.419 18.748 -4.342 342 HH11 ARG 44 HH11 ARG 44 -1.476 19.546 -1.468 343 HH12 ARG 44 HH12 ARG 44 -2.492 18.137 -1.594 344 HH21 ARG 44 HH21 ARG 44 -0.932 16.933 -4.514 345 HH22 ARG 44 HH22 ARG 44 -2.175 16.644 -3.321 346 H VAL 45 H VAL 45 4.232 18.834 0.917 347 HA VAL 45 HA VAL 45 3.764 15.962 1.188 348 HB VAL 45 HB VAL 45 5.811 17.877 2.369 349 HG11 VAL 45 HG11 VAL 45 5.666 14.841 2.585 350 HG12 VAL 45 HG12 VAL 45 7.074 15.831 3.018 351 HG13 VAL 45 HG13 VAL 45 5.569 16.006 3.933 352 HG21 VAL 45 HG21 VAL 45 7.330 16.753 0.793 353 HG22 VAL 45 HG22 VAL 45 6.018 15.674 0.269 354 HG23 VAL 45 HG23 VAL 45 5.938 17.411 -0.091 355 H GLU 46 H GLU 46 3.056 18.868 3.067 356 HA GLU 46 HA GLU 46 2.360 17.349 5.464 357 HB2 GLU 46 HB2 GLU 46 2.099 20.265 4.665 358 HB3 GLU 46 HB3 GLU 46 1.532 19.620 6.224 359 HG2 GLU 46 HG2 GLU 46 3.768 18.820 6.774 360 HG3 GLU 46 HG3 GLU 46 4.382 19.332 5.195 361 H ASP 47 H ASP 47 0.811 18.042 2.478 362 HA ASP 47 HA ASP 47 -1.884 17.840 3.714 363 HB2 ASP 47 HB2 ASP 47 -1.409 19.769 2.246 364 HB3 ASP 47 HB3 ASP 47 -1.058 18.657 0.914 365 H GLY 48 H GLY 48 0.447 15.904 2.057 366 HA2 GLY 48 HA2 GLY 48 -1.239 13.607 2.081 367 HA3 GLY 48 HA3 GLY 48 -1.174 14.262 0.436 368 H GLY 49 H GLY 49 -0.235 11.757 0.814 369 HA2 GLY 49 HA2 GLY 49 2.602 11.698 1.418 370 HA3 GLY 49 HA3 GLY 49 1.625 10.369 0.772 371 H ILE 50 H ILE 50 4.311 11.465 0.021 372 HA ILE 50 HA ILE 50 3.887 11.530 -2.901 373 HB ILE 50 HB ILE 50 5.582 13.537 -1.351 374 HG12 ILE 50 HG12 ILE 50 3.038 13.836 -3.002 375 HG13 ILE 50 HG13 ILE 50 3.224 14.126 -1.264 376 HG21 ILE 50 HG21 ILE 50 5.189 13.179 -4.353 377 HG22 ILE 50 HG22 ILE 50 6.132 14.473 -3.562 378 HG23 ILE 50 HG23 ILE 50 6.668 12.802 -3.440 379 HD11 ILE 50 HD11 ILE 50 4.822 15.982 -1.778 380 HD12 ILE 50 HD12 ILE 50 4.455 15.755 -3.510 381 HD13 ILE 50 HD13 ILE 50 3.178 16.252 -2.386 382 H ASP 51 H ASP 51 5.682 10.553 -4.029 383 HA ASP 51 HA ASP 51 7.317 8.909 -2.167 384 HB2 ASP 51 HB2 ASP 51 6.643 8.499 -5.099 385 HB3 ASP 51 HB3 ASP 51 7.600 7.406 -4.092 386 H ALA 52 H ALA 52 7.598 11.360 -4.691 387 HA ALA 52 HA ALA 52 10.346 11.848 -3.926 388 HB1 ALA 52 HB1 ALA 52 11.311 11.433 -6.176 389 HB2 ALA 52 HB2 ALA 52 10.710 9.934 -5.445 390 HB3 ALA 52 HB3 ALA 52 9.756 10.749 -6.708 391 H ALA 53 H ALA 53 11.272 13.642 -5.445 392 HA ALA 53 HA ALA 53 9.194 15.199 -6.832 393 HB1 ALA 53 HB1 ALA 53 10.770 16.281 -4.465 394 HB2 ALA 53 HB2 ALA 53 9.705 17.231 -5.524 395 HB3 ALA 53 HB3 ALA 53 9.020 15.951 -4.494 396 H ILE 54 H ILE 54 10.079 16.947 -8.114 397 HA ILE 54 HA ILE 54 13.001 16.659 -8.673 398 HB ILE 54 HB ILE 54 10.734 17.494 -10.520 399 HG12 ILE 54 HG12 ILE 54 12.506 15.006 -10.484 400 HG13 ILE 54 HG13 ILE 54 10.795 15.067 -10.023 401 HG21 ILE 54 HG21 ILE 54 12.871 18.702 -10.960 402 HG22 ILE 54 HG22 ILE 54 13.716 17.141 -11.066 403 HG23 ILE 54 HG23 ILE 54 12.481 17.577 -12.266 404 HD11 ILE 54 HD11 ILE 54 10.226 15.835 -12.334 405 HD12 ILE 54 HD12 ILE 54 11.932 15.601 -12.797 406 HD13 ILE 54 HD13 ILE 54 10.960 14.212 -12.282 407 H LEU 55 H LEU 55 14.207 18.385 -8.169 408 HA LEU 55 HA LEU 55 12.791 20.930 -7.512 409 HB2 LEU 55 HB2 LEU 55 15.188 19.505 -6.331 410 HB3 LEU 55 HB3 LEU 55 14.938 21.231 -6.085 411 HG LEU 55 HG LEU 55 14.171 19.816 -4.198 412 HD11 LEU 55 HD11 LEU 55 13.296 22.090 -4.548 413 HD12 LEU 55 HD12 LEU 55 12.006 21.436 -5.589 414 HD13 LEU 55 HD13 LEU 55 12.052 21.026 -3.859 415 HD21 LEU 55 HD21 LEU 55 13.195 17.942 -5.584 416 HD22 LEU 55 HD22 LEU 55 12.132 18.557 -4.296 417 HD23 LEU 55 HD23 LEU 55 11.836 19.025 -5.976 418 H ASP 56 H ASP 56 13.329 22.704 -8.648 419 HA ASP 56 HA ASP 56 15.563 22.567 -10.533 420 HB2 ASP 56 HB2 ASP 56 13.337 23.601 -11.058 421 HB3 ASP 56 HB3 ASP 56 13.711 24.891 -9.905 422 H VAL 57 H VAL 57 17.347 24.083 -10.534 423 HA VAL 57 HA VAL 57 18.408 24.441 -7.858 424 HB VAL 57 HB VAL 57 20.412 25.269 -9.029 425 HG11 VAL 57 HG11 VAL 57 20.043 22.848 -8.669 426 HG12 VAL 57 HG12 VAL 57 19.220 22.739 -10.247 427 HG13 VAL 57 HG13 VAL 57 20.945 23.165 -10.165 428 HG21 VAL 57 HG21 VAL 57 19.300 26.409 -10.930 429 HG22 VAL 57 HG22 VAL 57 20.516 25.235 -11.477 430 HG23 VAL 57 HG23 VAL 57 18.792 24.832 -11.576 431 H ASN 58 H ASN 58 16.417 26.425 -9.797 432 HA ASN 58 HA ASN 58 17.466 28.886 -8.495 433 HB2 ASN 58 HB2 ASN 58 17.470 28.784 -11.003 434 HB3 ASN 58 HB3 ASN 58 15.713 28.603 -10.960 435 HD21 ASN 58 HD21 ASN 58 15.616 32.115 -11.348 436 HD22 ASN 58 HD22 ASN 58 15.300 30.543 -12.060 437 H LEU 59 H LEU 59 16.021 30.370 -7.577 438 HA LEU 59 HA LEU 59 13.195 29.596 -7.180 439 HB2 LEU 59 HB2 LEU 59 15.213 30.140 -4.971 440 HB3 LEU 59 HB3 LEU 59 13.464 30.142 -4.734 441 HG LEU 59 HG LEU 59 15.068 27.736 -5.702 442 HD11 LEU 59 HD11 LEU 59 13.835 28.357 -2.985 443 HD12 LEU 59 HD12 LEU 59 14.654 26.847 -3.448 444 HD13 LEU 59 HD13 LEU 59 15.576 28.362 -3.359 445 HD21 LEU 59 HD21 LEU 59 12.699 27.707 -6.455 446 HD22 LEU 59 HD22 LEU 59 12.979 26.495 -5.192 447 HD23 LEU 59 HD23 LEU 59 12.171 28.027 -4.783 448 H ARG 60 H ARG 60 11.928 31.449 -6.329 449 HA ARG 60 HA ARG 60 12.875 33.916 -7.575 450 HB2 ARG 60 HB2 ARG 60 10.286 33.362 -6.087 451 HB3 ARG 60 HB3 ARG 60 10.650 34.765 -7.106 452 HG2 ARG 60 HG2 ARG 60 10.987 33.204 -9.051 453 HG3 ARG 60 HG3 ARG 60 10.436 31.867 -8.015 454 HD2 ARG 60 HD2 ARG 60 8.324 33.163 -7.576 455 HD3 ARG 60 HD3 ARG 60 8.847 34.360 -8.769 456 HE ARG 60 HE ARG 60 7.677 31.765 -9.250 457 HH11 ARG 60 HH11 ARG 60 9.890 34.148 -10.644 458 HH12 ARG 60 HH12 ARG 60 9.664 33.561 -12.278 459 HH21 ARG 60 HH21 ARG 60 7.404 31.037 -11.360 460 HH22 ARG 60 HH22 ARG 60 8.242 31.819 -12.687 461 H GLY 61 H GLY 61 13.132 35.919 -6.583 462 HA2 GLY 61 HA2 GLY 61 13.692 37.413 -4.932 463 HA3 GLY 61 HA3 GLY 61 12.785 36.412 -3.798 464 H GLY 62 H GLY 62 14.719 37.426 -2.535 465 HA2 GLY 62 HA2 GLY 62 17.211 35.871 -2.733 466 HA3 GLY 62 HA3 GLY 62 16.859 37.220 -1.631 467 H GLU 63 H GLU 63 14.219 35.157 -1.548 468 HA GLU 63 HA GLU 63 14.929 34.205 1.111 469 HB2 GLU 63 HB2 GLU 63 12.440 33.901 -0.609 470 HB3 GLU 63 HB3 GLU 63 12.606 33.268 1.033 471 HG2 GLU 63 HG2 GLU 63 11.458 35.373 1.165 472 HG3 GLU 63 HG3 GLU 63 13.065 35.560 1.869 473 H LYS 64 H LYS 64 14.473 31.962 1.753 474 HA LYS 64 HA LYS 64 15.099 29.797 1.778 475 HB2 LYS 64 HB2 LYS 64 14.289 29.795 -1.145 476 HB3 LYS 64 HB3 LYS 64 14.419 28.388 -0.084 477 HG2 LYS 64 HG2 LYS 64 12.447 30.690 0.184 478 HG3 LYS 64 HG3 LYS 64 12.082 29.046 -0.346 479 HD2 LYS 64 HD2 LYS 64 13.047 29.839 2.434 480 HD3 LYS 64 HD3 LYS 64 11.398 29.383 1.979 481 HE2 LYS 64 HE2 LYS 64 12.196 27.148 1.288 482 HE3 LYS 64 HE3 LYS 64 13.845 27.579 1.771 483 HZ1 LYS 64 HZ1 LYS 64 13.036 27.887 4.014 484 HZ2 LYS 64 HZ2 LYS 64 11.513 27.479 3.570 485 HZ3 LYS 64 HZ3 LYS 64 12.713 26.361 3.498 486 H SER 65 H SER 65 16.441 28.013 0.613 487 HA SER 65 HA SER 65 18.756 29.066 -0.855 488 HB2 SER 65 HB2 SER 65 20.357 28.212 0.839 489 HB3 SER 65 HB3 SER 65 19.374 29.549 1.462 490 HG SER 65 HG SER 65 19.477 27.809 2.938 491 H THR 66 H THR 66 20.267 27.224 -1.441 492 HA THR 66 HA THR 66 18.710 25.198 -2.668 493 HB THR 66 HB THR 66 21.717 25.236 -2.223 494 HG1 THR 66 HG1 THR 66 20.116 26.372 -4.269 495 HG21 THR 66 HG21 THR 66 19.972 23.961 -4.371 496 HG22 THR 66 HG22 THR 66 21.750 24.008 -4.384 497 HG23 THR 66 HG23 THR 66 20.895 23.100 -3.122 498 HA PRO 67 HA PRO 67 20.642 22.246 0.730 499 HB2 PRO 67 HB2 PRO 67 20.298 24.146 3.037 500 HB3 PRO 67 HB3 PRO 67 21.518 22.845 2.818 501 HG2 PRO 67 HG2 PRO 67 22.232 25.411 2.406 502 HG3 PRO 67 HG3 PRO 67 22.729 24.157 1.216 503 HD2 PRO 67 HD2 PRO 67 20.355 26.036 1.078 504 HD3 PRO 67 HD3 PRO 67 21.594 25.703 -0.179 505 H VAL 68 H VAL 68 17.826 24.192 0.545 506 HA VAL 68 HA VAL 68 16.235 23.054 2.614 507 HB VAL 68 HB VAL 68 15.721 25.104 1.272 508 HG11 VAL 68 HG11 VAL 68 14.820 23.113 -0.858 509 HG12 VAL 68 HG12 VAL 68 14.686 24.885 -0.920 510 HG13 VAL 68 HG13 VAL 68 16.280 24.119 -0.983 511 HG21 VAL 68 HG21 VAL 68 13.304 24.747 1.189 512 HG22 VAL 68 HG22 VAL 68 13.536 22.988 1.229 513 HG23 VAL 68 HG23 VAL 68 13.994 23.976 2.634 514 H ALA 69 H ALA 69 17.361 21.768 -0.453 515 HA ALA 69 HA ALA 69 15.328 19.787 -0.806 516 HB1 ALA 69 HB1 ALA 69 16.959 18.748 -2.311 517 HB2 ALA 69 HB2 ALA 69 16.911 20.508 -2.569 518 HB3 ALA 69 HB3 ALA 69 18.255 19.777 -1.659 519 H GLU 70 H GLU 70 18.146 20.023 1.321 520 HA GLU 70 HA GLU 70 18.173 17.173 1.895 521 HB2 GLU 70 HB2 GLU 70 19.573 19.505 3.251 522 HB3 GLU 70 HB3 GLU 70 19.881 17.778 3.564 523 HG2 GLU 70 HG2 GLU 70 20.397 17.482 1.127 524 HG3 GLU 70 HG3 GLU 70 20.232 19.225 0.902 525 H ALA 71 H ALA 71 16.351 19.931 2.999 526 HA ALA 71 HA ALA 71 15.542 18.706 5.507 527 HB1 ALA 71 HB1 ALA 71 14.211 20.881 3.844 528 HB2 ALA 71 HB2 ALA 71 13.842 20.472 5.531 529 HB3 ALA 71 HB3 ALA 71 15.430 21.148 5.122 530 H LEU 72 H LEU 72 14.559 18.548 2.091 531 HA LEU 72 HA LEU 72 12.107 17.086 2.582 532 HB2 LEU 72 HB2 LEU 72 13.954 17.022 0.156 533 HB3 LEU 72 HB3 LEU 72 12.286 16.444 0.218 534 HG LEU 72 HG LEU 72 13.150 19.344 0.620 535 HD11 LEU 72 HD11 LEU 72 11.743 17.954 -1.697 536 HD12 LEU 72 HD12 LEU 72 12.111 19.692 -1.582 537 HD13 LEU 72 HD13 LEU 72 13.433 18.513 -1.704 538 HD21 LEU 72 HD21 LEU 72 11.086 18.793 1.859 539 HD22 LEU 72 HD22 LEU 72 10.720 19.809 0.449 540 HD23 LEU 72 HD23 LEU 72 10.390 18.065 0.384 541 H ALA 73 H ALA 73 15.554 16.219 2.249 542 HA ALA 73 HA ALA 73 15.083 13.375 2.287 543 HB1 ALA 73 HB1 ALA 73 17.555 15.018 2.975 544 HB2 ALA 73 HB2 ALA 73 17.525 13.263 2.723 545 HB3 ALA 73 HB3 ALA 73 17.144 14.354 1.377 546 H ALA 74 H ALA 74 15.140 15.877 4.748 547 HA ALA 74 HA ALA 74 15.449 13.979 6.948 548 HB1 ALA 74 HB1 ALA 74 14.604 16.903 6.921 549 HB2 ALA 74 HB2 ALA 74 15.054 15.950 8.352 550 HB3 ALA 74 HB3 ALA 74 16.272 16.309 7.109 551 H ARG 75 H ARG 75 12.910 15.067 4.885 552 HA ARG 75 HA ARG 75 10.833 14.052 6.742 553 HB2 ARG 75 HB2 ARG 75 10.644 15.643 4.158 554 HB3 ARG 75 HB3 ARG 75 9.248 14.980 5.035 555 HG2 ARG 75 HG2 ARG 75 9.948 16.226 7.067 556 HG3 ARG 75 HG3 ARG 75 11.276 16.965 6.154 557 HD2 ARG 75 HD2 ARG 75 9.646 17.966 4.583 558 HD3 ARG 75 HD3 ARG 75 8.317 17.179 5.453 559 HE ARG 75 HE ARG 75 10.054 18.933 7.060 560 HH11 ARG 75 HH11 ARG 75 7.042 18.637 5.212 561 HH12 ARG 75 HH12 ARG 75 6.315 20.027 5.995 562 HH21 ARG 75 HH21 ARG 75 9.043 20.724 8.056 563 HH22 ARG 75 HH22 ARG 75 7.425 21.181 7.573 564 H ASP 76 H ASP 76 12.943 12.518 5.129 565 HA ASP 76 HA ASP 76 13.121 10.575 4.053 566 HB2 ASP 76 HB2 ASP 76 11.876 9.931 6.101 567 HB3 ASP 76 HB3 ASP 76 10.370 9.986 5.180 568 H ILE 77 H ILE 77 12.054 12.751 2.412 569 HA ILE 77 HA ILE 77 10.854 11.009 0.330 570 HB ILE 77 HB ILE 77 9.139 12.389 1.165 571 HG12 ILE 77 HG12 ILE 77 9.458 12.012 -1.372 572 HG13 ILE 77 HG13 ILE 77 8.248 13.157 -0.795 573 HG21 ILE 77 HG21 ILE 77 10.892 14.806 0.621 574 HG22 ILE 77 HG22 ILE 77 9.173 14.851 1.071 575 HG23 ILE 77 HG23 ILE 77 10.366 14.190 2.206 576 HD11 ILE 77 HD11 ILE 77 11.015 13.978 -1.773 577 HD12 ILE 77 HD12 ILE 77 9.522 14.016 -2.739 578 HD13 ILE 77 HD13 ILE 77 9.677 15.055 -1.317 579 HA PRO 78 HA PRO 78 14.755 12.128 -1.437 580 HB2 PRO 78 HB2 PRO 78 14.701 10.533 -3.633 581 HB3 PRO 78 HB3 PRO 78 14.791 9.852 -1.974 582 HG2 PRO 78 HG2 PRO 78 12.311 10.258 -3.686 583 HG3 PRO 78 HG3 PRO 78 12.841 8.757 -2.856 584 HD2 PRO 78 HD2 PRO 78 11.039 10.474 -1.724 585 HD3 PRO 78 HD3 PRO 78 12.270 9.632 -0.732 586 H PHE 79 H PHE 79 15.676 13.098 -3.373 587 HA PHE 79 HA PHE 79 13.762 14.418 -5.200 588 HB2 PHE 79 HB2 PHE 79 14.696 16.611 -4.707 589 HB3 PHE 79 HB3 PHE 79 13.997 15.905 -3.244 590 HD1 PHE 79 HD1 PHE 79 15.454 15.159 -1.392 591 HD2 PHE 79 HD2 PHE 79 17.096 16.945 -4.946 592 HE1 PHE 79 HE1 PHE 79 17.615 15.506 -0.227 593 HE2 PHE 79 HE2 PHE 79 19.265 17.264 -3.775 594 HZ PHE 79 HZ PHE 79 19.505 16.553 -1.397 595 H VAL 80 H VAL 80 14.894 15.625 -6.924 596 HA VAL 80 HA VAL 80 17.740 14.949 -7.344 597 HB VAL 80 HB VAL 80 17.333 14.335 -9.677 598 HG11 VAL 80 HG11 VAL 80 17.387 12.575 -7.902 599 HG12 VAL 80 HG12 VAL 80 15.610 12.639 -7.828 600 HG13 VAL 80 HG13 VAL 80 16.425 12.122 -9.323 601 HG21 VAL 80 HG21 VAL 80 15.226 15.571 -10.062 602 HG22 VAL 80 HG22 VAL 80 15.058 13.861 -10.494 603 HG23 VAL 80 HG23 VAL 80 14.369 14.458 -8.967 604 H PHE 81 H PHE 81 18.778 16.432 -8.866 605 HA PHE 81 HA PHE 81 17.534 19.098 -8.723 606 HB2 PHE 81 HB2 PHE 81 20.260 18.184 -9.709 607 HB3 PHE 81 HB3 PHE 81 19.727 19.856 -9.585 608 HD1 PHE 81 HD1 PHE 81 22.045 18.059 -8.218 609 HD2 PHE 81 HD2 PHE 81 18.345 19.819 -6.904 610 HE1 PHE 81 HE1 PHE 81 22.943 18.226 -5.924 611 HE2 PHE 81 HE2 PHE 81 19.239 19.958 -4.596 612 HZ PHE 81 HZ PHE 81 21.537 19.185 -4.104 613 H ALA 82 H ALA 82 17.438 20.524 -10.528 614 HA ALA 82 HA ALA 82 17.555 19.290 -13.219 615 HB1 ALA 82 HB1 ALA 82 15.262 20.991 -12.164 616 HB2 ALA 82 HB2 ALA 82 15.462 20.432 -13.841 617 HB3 ALA 82 HB3 ALA 82 15.195 19.252 -12.538 618 H THR 83 H THR 83 18.852 20.485 -14.488 619 HA THR 83 HA THR 83 18.965 23.379 -14.350 620 HB THR 83 HB THR 83 20.272 22.727 -12.341 621 HG1 THR 83 HG1 THR 83 22.133 23.893 -12.938 622 HG21 THR 83 HG21 THR 83 22.433 21.569 -12.599 623 HG22 THR 83 HG22 THR 83 21.100 20.524 -13.130 624 HG23 THR 83 HG23 THR 83 22.122 21.335 -14.333 625 H GLY 84 H GLY 84 21.033 24.083 -15.715 626 HA2 GLY 84 HA2 GLY 84 21.956 22.133 -17.674 627 HA3 GLY 84 HA3 GLY 84 20.889 23.377 -18.344 628 H GLY 85 H GLY 85 23.938 22.735 -18.467 629 HA2 GLY 85 HA2 GLY 85 25.089 25.085 -19.081 630 HA3 GLY 85 HA3 GLY 85 25.121 25.169 -17.314 631 H SER 86 H SER 86 27.476 25.242 -17.628 632 HA SER 86 HA SER 86 28.856 22.881 -18.590 633 HB2 SER 86 HB2 SER 86 29.798 25.149 -18.797 634 HB3 SER 86 HB3 SER 86 29.846 25.296 -17.029 635 HG SER 86 HG SER 86 31.846 24.621 -17.950 636 H ASP 87 H ASP 87 30.418 21.676 -17.227 637 HA ASP 87 HA ASP 87 29.109 20.639 -14.865 638 HB2 ASP 87 HB2 ASP 87 30.394 19.255 -16.469 639 HB3 ASP 87 HB3 ASP 87 31.875 20.122 -16.034 640 H ASP 88 H ASP 88 31.105 23.340 -15.411 641 HA ASP 88 HA ASP 88 32.425 23.282 -12.796 642 HB2 ASP 88 HB2 ASP 88 33.526 24.145 -14.850 643 HB3 ASP 88 HB3 ASP 88 32.313 25.431 -14.943 644 H SER 89 H SER 89 29.320 23.958 -13.868 645 HA SER 89 HA SER 89 28.874 26.217 -12.023 646 HB2 SER 89 HB2 SER 89 27.003 24.878 -14.008 647 HB3 SER 89 HB3 SER 89 26.669 26.347 -13.068 648 HG SER 89 HG SER 89 27.431 26.858 -15.147 649 H VAL 90 H VAL 90 29.231 23.073 -11.450 650 HA VAL 90 HA VAL 90 27.083 23.034 -9.400 651 HB VAL 90 HB VAL 90 26.859 20.575 -9.809 652 HG11 VAL 90 HG11 VAL 90 26.008 22.367 -12.114 653 HG12 VAL 90 HG12 VAL 90 25.273 20.812 -11.641 654 HG13 VAL 90 HG13 VAL 90 25.166 22.212 -10.554 655 HG21 VAL 90 HG21 VAL 90 28.916 20.247 -11.159 656 HG22 VAL 90 HG22 VAL 90 27.465 19.665 -11.999 657 HG23 VAL 90 HG23 VAL 90 28.198 21.213 -12.473 658 H ASP 91 H ASP 91 27.487 21.718 -7.590 659 HA ASP 91 HA ASP 91 30.391 21.429 -6.996 660 HB2 ASP 91 HB2 ASP 91 27.998 21.882 -5.179 661 HB3 ASP 91 HB3 ASP 91 29.675 21.706 -4.641 662 H SER 92 H SER 92 30.477 19.824 -4.871 663 HA SER 92 HA SER 92 30.202 17.244 -6.007 664 HB2 SER 92 HB2 SER 92 30.614 18.075 -3.115 665 HB3 SER 92 HB3 SER 92 30.890 16.454 -3.782 666 HG SER 92 HG SER 92 32.804 17.731 -3.714 667 H ARG 93 H ARG 93 27.838 19.209 -4.423 668 HA ARG 93 HA ARG 93 26.163 17.157 -3.316 669 HB2 ARG 93 HB2 ARG 93 25.597 19.936 -4.442 670 HB3 ARG 93 HB3 ARG 93 24.388 18.942 -3.609 671 HG2 ARG 93 HG2 ARG 93 25.712 18.918 -1.578 672 HG3 ARG 93 HG3 ARG 93 27.040 19.799 -2.371 673 HD2 ARG 93 HD2 ARG 93 25.679 21.766 -2.664 674 HD3 ARG 93 HD3 ARG 93 24.215 20.903 -2.172 675 HE ARG 93 HE ARG 93 26.349 21.922 -0.400 676 HH11 ARG 93 HH11 ARG 93 23.396 20.022 -0.764 677 HH12 ARG 93 HH12 ARG 93 23.053 20.028 0.961 678 HH21 ARG 93 HH21 ARG 93 25.833 21.904 1.863 679 HH22 ARG 93 HH22 ARG 93 24.384 21.084 2.399 680 H PHE 94 H PHE 94 26.650 18.440 -6.575 681 HA PHE 94 HA PHE 94 24.316 17.009 -7.676 682 HB2 PHE 94 HB2 PHE 94 26.507 18.648 -8.983 683 HB3 PHE 94 HB3 PHE 94 25.017 18.103 -9.759 684 HD1 PHE 94 HD1 PHE 94 23.101 19.459 -9.725 685 HD2 PHE 94 HD2 PHE 94 26.307 20.243 -6.975 686 HE1 PHE 94 HE1 PHE 94 21.949 21.524 -8.966 687 HE2 PHE 94 HE2 PHE 94 25.153 22.310 -6.216 688 HZ PHE 94 HZ PHE 94 22.960 22.932 -7.198 689 H ARG 95 H ARG 95 27.725 16.589 -7.168 690 HA ARG 95 HA ARG 95 27.906 14.383 -9.106 691 HB2 ARG 95 HB2 ARG 95 29.950 15.469 -7.132 692 HB3 ARG 95 HB3 ARG 95 30.242 14.266 -8.411 693 HG2 ARG 95 HG2 ARG 95 29.466 15.917 -10.109 694 HG3 ARG 95 HG3 ARG 95 29.317 17.145 -8.838 695 HD2 ARG 95 HD2 ARG 95 31.902 15.654 -9.444 696 HD3 ARG 95 HD3 ARG 95 31.476 17.190 -10.201 697 HE ARG 95 HE ARG 95 32.079 16.757 -7.314 698 HH11 ARG 95 HH11 ARG 95 31.485 18.968 -10.017 699 HH12 ARG 95 HH12 ARG 95 32.021 20.375 -9.136 700 HH21 ARG 95 HH21 ARG 95 32.759 18.622 -6.189 701 HH22 ARG 95 HH22 ARG 95 32.785 20.171 -6.995 702 H ASP 96 H ASP 96 26.634 14.741 -6.038 703 HA ASP 96 HA ASP 96 27.156 11.876 -5.399 704 HB2 ASP 96 HB2 ASP 96 28.111 13.492 -3.792 705 HB3 ASP 96 HB3 ASP 96 26.502 14.173 -3.528 706 H ARG 97 H ARG 97 24.755 14.183 -6.335 707 HA ARG 97 HA ARG 97 22.664 12.139 -5.788 708 HB2 ARG 97 HB2 ARG 97 22.386 15.157 -5.492 709 HB3 ARG 97 HB3 ARG 97 21.052 13.993 -5.410 710 HG2 ARG 97 HG2 ARG 97 22.144 12.867 -3.485 711 HG3 ARG 97 HG3 ARG 97 23.459 14.067 -3.539 712 HD2 ARG 97 HD2 ARG 97 21.854 15.875 -3.133 713 HD3 ARG 97 HD3 ARG 97 20.513 14.722 -3.147 714 HE ARG 97 HE ARG 97 21.526 13.654 -1.142 715 HH11 ARG 97 HH11 ARG 97 22.465 16.999 -1.886 716 HH12 ARG 97 HH12 ARG 97 22.845 17.351 -0.207 717 HH21 ARG 97 HH21 ARG 97 22.055 14.198 1.016 718 HH22 ARG 97 HH22 ARG 97 22.608 15.821 1.382 719 HA PRO 98 HA PRO 98 21.871 12.257 -10.033 720 HB2 PRO 98 HB2 PRO 98 18.933 12.397 -9.478 721 HB3 PRO 98 HB3 PRO 98 19.842 11.197 -10.451 722 HG2 PRO 98 HG2 PRO 98 18.952 10.551 -7.971 723 HG3 PRO 98 HG3 PRO 98 20.605 10.069 -8.494 724 HD2 PRO 98 HD2 PRO 98 19.800 12.462 -6.809 725 HD3 PRO 98 HD3 PRO 98 21.099 11.259 -6.515 726 H VAL 99 H VAL 99 21.165 13.486 -11.846 727 HA VAL 99 HA VAL 99 20.040 16.176 -11.312 728 HB VAL 99 HB VAL 99 22.581 15.643 -12.915 729 HG11 VAL 99 HG11 VAL 99 21.298 17.528 -13.820 730 HG12 VAL 99 HG12 VAL 99 21.108 18.215 -12.187 731 HG13 VAL 99 HG13 VAL 99 22.716 18.141 -12.951 732 HG21 VAL 99 HG21 VAL 99 23.713 16.977 -11.159 733 HG22 VAL 99 HG22 VAL 99 22.202 17.012 -10.220 734 HG23 VAL 99 HG23 VAL 99 23.050 15.472 -10.505 735 H LEU 100 H LEU 100 19.091 17.137 -13.194 736 HA LEU 100 HA LEU 100 18.776 15.387 -15.557 737 HB2 LEU 100 HB2 LEU 100 16.897 15.000 -13.944 738 HB3 LEU 100 HB3 LEU 100 16.509 16.719 -14.015 739 HG LEU 100 HG LEU 100 16.002 16.501 -16.439 740 HD11 LEU 100 HD11 LEU 100 15.839 14.233 -17.436 741 HD12 LEU 100 HD12 LEU 100 17.508 14.608 -16.992 742 HD13 LEU 100 HD13 LEU 100 16.543 13.536 -15.953 743 HD21 LEU 100 HD21 LEU 100 14.215 16.186 -14.756 744 HD22 LEU 100 HD22 LEU 100 13.956 15.133 -16.167 745 HD23 LEU 100 HD23 LEU 100 14.609 14.461 -14.656 746 H GLN 101 H GLN 101 18.153 16.560 -17.486 747 HA GLN 101 HA GLN 101 19.294 19.213 -17.590 748 HB2 GLN 101 HB2 GLN 101 17.800 17.561 -19.673 749 HB3 GLN 101 HB3 GLN 101 18.575 19.120 -19.973 750 HG2 GLN 101 HG2 GLN 101 20.161 17.545 -20.688 751 HG3 GLN 101 HG3 GLN 101 20.751 18.111 -19.131 752 HE21 GLN 101 HE21 GLN 101 21.300 14.582 -18.699 753 HE22 GLN 101 HE22 GLN 101 22.048 16.071 -19.239 754 H LYS 102 H LYS 102 18.193 21.137 -18.378 755 HA LYS 102 HA LYS 102 15.674 21.526 -17.015 756 HB2 LYS 102 HB2 LYS 102 17.431 23.229 -17.073 757 HB3 LYS 102 HB3 LYS 102 17.288 23.366 -18.825 758 HG2 LYS 102 HG2 LYS 102 16.114 25.196 -17.730 759 HG3 LYS 102 HG3 LYS 102 14.945 24.170 -18.573 760 HD2 LYS 102 HD2 LYS 102 14.267 23.117 -16.476 761 HD3 LYS 102 HD3 LYS 102 15.584 23.935 -15.600 762 HE2 LYS 102 HE2 LYS 102 14.589 26.130 -16.150 763 HE3 LYS 102 HE3 LYS 102 13.255 25.328 -16.994 764 HZ1 LYS 102 HZ1 LYS 102 13.906 24.931 -14.152 765 HZ2 LYS 102 HZ2 LYS 102 12.756 25.962 -14.699 766 HZ3 LYS 102 HZ3 LYS 102 12.595 24.337 -14.940 767 HA PRO 103 HA PRO 103 13.735 21.675 -21.355 768 HB2 PRO 103 HB2 PRO 103 15.097 20.970 -23.588 769 HB3 PRO 103 HB3 PRO 103 15.238 22.620 -22.894 770 HG2 PRO 103 HG2 PRO 103 17.098 20.257 -22.458 771 HG3 PRO 103 HG3 PRO 103 17.535 21.926 -22.959 772 HD2 PRO 103 HD2 PRO 103 17.667 21.116 -20.363 773 HD3 PRO 103 HD3 PRO 103 17.138 22.771 -20.797 774 H PHE 104 H PHE 104 12.511 19.944 -22.172 775 HA PHE 104 HA PHE 104 13.522 17.215 -21.480 776 HB2 PHE 104 HB2 PHE 104 10.793 18.497 -21.326 777 HB3 PHE 104 HB3 PHE 104 10.959 16.761 -21.560 778 HD1 PHE 104 HD1 PHE 104 9.745 16.320 -19.496 779 HD2 PHE 104 HD2 PHE 104 13.461 18.503 -19.457 780 HE1 PHE 104 HE1 PHE 104 9.980 15.902 -17.071 781 HE2 PHE 104 HE2 PHE 104 13.667 18.101 -17.032 782 HZ PHE 104 HZ PHE 104 11.930 16.805 -15.833 783 H THR 105 H THR 105 13.077 15.498 -22.838 784 HA THR 105 HA THR 105 11.988 16.043 -25.532 785 HB THR 105 HB THR 105 13.893 14.892 -26.589 786 HG1 THR 105 HG1 THR 105 15.765 14.569 -25.310 787 HG21 THR 105 HG21 THR 105 14.861 17.232 -24.898 788 HG22 THR 105 HG22 THR 105 15.551 16.662 -26.434 789 HG23 THR 105 HG23 THR 105 13.925 17.375 -26.406 790 H MET 106 H MET 106 11.744 13.853 -26.726 791 HA MET 106 HA MET 106 10.161 12.189 -25.064 792 HB2 MET 106 HB2 MET 106 11.448 11.490 -27.734 793 HB3 MET 106 HB3 MET 106 10.022 10.723 -27.017 794 HG2 MET 106 HG2 MET 106 10.268 13.591 -28.003 795 HG3 MET 106 HG3 MET 106 9.343 12.290 -28.747 796 HE1 MET 106 HE1 MET 106 6.430 11.765 -26.149 797 HE2 MET 106 HE2 MET 106 7.187 11.195 -27.660 798 HE3 MET 106 HE3 MET 106 8.001 10.932 -26.101 799 H ASP 107 H ASP 107 13.558 11.873 -26.176 800 HA ASP 107 HA ASP 107 13.826 9.253 -24.895 801 HB2 ASP 107 HB2 ASP 107 15.836 11.096 -26.249 802 HB3 ASP 107 HB3 ASP 107 16.175 9.452 -25.693 803 H GLY 108 H GLY 108 14.376 12.635 -24.061 804 HA2 GLY 108 HA2 GLY 108 16.353 12.125 -22.017 805 HA3 GLY 108 HA3 GLY 108 15.430 13.621 -22.285 806 H VAL 109 H VAL 109 12.820 12.079 -22.147 807 HA VAL 109 HA VAL 109 12.566 12.185 -19.220 808 HB VAL 109 HB VAL 109 10.571 11.813 -21.480 809 HG11 VAL 109 HG11 VAL 109 8.835 12.127 -19.747 810 HG12 VAL 109 HG12 VAL 109 9.747 10.635 -19.474 811 HG13 VAL 109 HG13 VAL 109 10.088 12.075 -18.479 812 HG21 VAL 109 HG21 VAL 109 11.580 14.073 -21.239 813 HG22 VAL 109 HG22 VAL 109 9.876 14.092 -20.750 814 HG23 VAL 109 HG23 VAL 109 11.158 14.076 -19.514 815 H ALA 110 H ALA 110 12.733 9.737 -21.806 816 HA ALA 110 HA ALA 110 11.786 7.567 -20.185 817 HB1 ALA 110 HB1 ALA 110 13.721 7.605 -22.544 818 HB2 ALA 110 HB2 ALA 110 12.895 6.171 -21.890 819 HB3 ALA 110 HB3 ALA 110 11.949 7.473 -22.647 820 H LYS 111 H LYS 111 14.897 9.235 -20.520 821 HA LYS 111 HA LYS 111 16.297 7.279 -18.842 822 HB2 LYS 111 HB2 LYS 111 17.137 9.966 -20.002 823 HB3 LYS 111 HB3 LYS 111 18.198 8.869 -19.110 824 HG2 LYS 111 HG2 LYS 111 16.782 8.217 -21.723 825 HG3 LYS 111 HG3 LYS 111 18.491 8.650 -21.545 826 HD2 LYS 111 HD2 LYS 111 18.813 6.650 -20.072 827 HD3 LYS 111 HD3 LYS 111 17.132 6.174 -20.393 828 HE2 LYS 111 HE2 LYS 111 19.289 6.546 -22.503 829 HE3 LYS 111 HE3 LYS 111 18.753 4.992 -21.852 830 HZ1 LYS 111 HZ1 LYS 111 17.054 6.898 -23.317 831 HZ2 LYS 111 HZ2 LYS 111 17.657 5.488 -23.912 832 HZ3 LYS 111 HZ3 LYS 111 16.555 5.461 -22.693 833 H ALA 112 H ALA 112 14.416 10.200 -18.387 834 HA ALA 112 HA ALA 112 15.621 10.921 -15.857 835 HB1 ALA 112 HB1 ALA 112 12.894 11.593 -17.032 836 HB2 ALA 112 HB2 ALA 112 13.670 12.405 -15.662 837 HB3 ALA 112 HB3 ALA 112 14.390 12.520 -17.289 838 H LEU 113 H LEU 113 12.790 8.952 -16.883 839 HA LEU 113 HA LEU 113 12.029 8.391 -14.126 840 HB2 LEU 113 HB2 LEU 113 11.220 7.113 -16.768 841 HB3 LEU 113 HB3 LEU 113 10.475 6.765 -15.200 842 HG LEU 113 HG LEU 113 10.501 9.476 -16.594 843 HD11 LEU 113 HD11 LEU 113 8.258 7.483 -16.057 844 HD12 LEU 113 HD12 LEU 113 8.091 9.070 -16.850 845 HD13 LEU 113 HD13 LEU 113 9.028 7.779 -17.631 846 HD21 LEU 113 HD21 LEU 113 10.503 9.783 -14.159 847 HD22 LEU 113 HD22 LEU 113 8.886 10.114 -14.794 848 HD23 LEU 113 HD23 LEU 113 9.210 8.568 -13.981 849 H ALA 114 H ALA 114 14.187 6.939 -16.536 850 HA ALA 114 HA ALA 114 14.486 4.457 -15.072 851 HB1 ALA 114 HB1 ALA 114 16.265 5.787 -17.160 852 HB2 ALA 114 HB2 ALA 114 16.373 4.096 -16.607 853 HB3 ALA 114 HB3 ALA 114 14.933 4.650 -17.490 854 H ALA 115 H ALA 115 15.778 7.702 -14.744 855 HA ALA 115 HA ALA 115 18.021 6.810 -13.066 856 HB1 ALA 115 HB1 ALA 115 16.965 9.580 -13.745 857 HB2 ALA 115 HB2 ALA 115 18.486 9.215 -12.894 858 HB3 ALA 115 HB3 ALA 115 18.272 8.719 -14.592 859 H LEU 116 H LEU 116 14.668 7.721 -12.680 860 HA LEU 116 HA LEU 116 15.017 8.358 -9.810 861 HB2 LEU 116 HB2 LEU 116 12.695 8.363 -11.764 862 HB3 LEU 116 HB3 LEU 116 12.446 8.581 -10.032 863 HG LEU 116 HG LEU 116 14.295 10.358 -11.668 864 HD11 LEU 116 HD11 LEU 116 11.416 10.797 -10.759 865 HD12 LEU 116 HD12 LEU 116 12.452 12.012 -11.545 866 HD13 LEU 116 HD13 LEU 116 11.953 10.564 -12.442 867 HD21 LEU 116 HD21 LEU 116 13.075 10.580 -8.880 868 HD22 LEU 116 HD22 LEU 116 14.796 10.314 -9.256 869 HD23 LEU 116 HD23 LEU 116 14.015 11.852 -9.684 870 H LEU 117 H LEU 117 13.763 5.713 -11.863 871 HA LEU 117 HA LEU 117 12.747 4.367 -9.432 872 HB2 LEU 117 HB2 LEU 117 12.211 4.063 -12.384 873 HB3 LEU 117 HB3 LEU 117 11.825 2.763 -11.252 874 HG LEU 117 HG LEU 117 10.404 4.268 -9.928 875 HD11 LEU 117 HD11 LEU 117 11.378 6.469 -10.397 876 HD12 LEU 117 HD12 LEU 117 10.961 6.306 -12.126 877 HD13 LEU 117 HD13 LEU 117 9.687 6.447 -10.902 878 HD21 LEU 117 HD21 LEU 117 9.484 2.890 -11.766 879 HD22 LEU 117 HD22 LEU 117 8.579 4.407 -11.578 880 HD23 LEU 117 HD23 LEU 117 9.753 4.230 -12.903 881 H VAL 118 H VAL 118 15.708 4.526 -10.665 882 HA VAL 118 HA VAL 118 16.280 1.712 -9.892 883 HB VAL 118 HB VAL 118 17.541 3.120 -12.275 884 HG11 VAL 118 HG11 VAL 118 17.833 0.303 -11.148 885 HG12 VAL 118 HG12 VAL 118 18.588 0.905 -12.643 886 HG13 VAL 118 HG13 VAL 118 19.061 1.584 -11.070 887 HG21 VAL 118 HG21 VAL 118 15.250 2.415 -12.819 888 HG22 VAL 118 HG22 VAL 118 16.421 1.344 -13.610 889 HG23 VAL 118 HG23 VAL 118 15.570 0.796 -12.150 Start of MODEL 15 1 H1 MET 1 H1 NME 1 6.829 -1.129 0.028 2 H2 MET 1 H2 NME 1 8.138 -2.055 0.394 3 H3 MET 1 H3 NME 1 6.835 -2.727 -0.365 4 HA MET 1 HA NME 1 8.647 -2.407 -1.875 5 HB2 MET 1 HB2 NME 1 7.393 -1.240 -3.636 6 HB3 MET 1 HB3 NME 1 6.387 -2.387 -2.753 7 HG2 MET 1 HG2 NME 1 5.070 -0.458 -3.092 8 HG3 MET 1 HG3 NME 1 5.491 -0.478 -1.385 9 HE1 MET 1 HE1 NME 1 4.627 2.010 -1.189 10 HE2 MET 1 HE2 NME 1 5.178 3.335 -2.241 11 HE3 MET 1 HE3 NME 1 4.223 1.997 -2.921 12 H SER 2 H SER 2 9.581 -0.623 -3.390 13 HA SER 2 HA SER 2 10.357 1.734 -1.746 14 HB2 SER 2 HB2 SER 2 12.218 -0.004 -3.405 15 HB3 SER 2 HB3 SER 2 12.670 1.458 -2.504 16 HG SER 2 HG SER 2 13.087 -0.469 -1.331 17 H ALA 3 H ALA 3 8.510 1.107 -4.195 18 HA ALA 3 HA ALA 3 9.743 2.568 -6.375 19 HB1 ALA 3 HB1 ALA 3 8.094 0.779 -6.738 20 HB2 ALA 3 HB2 ALA 3 6.856 1.742 -5.886 21 HB3 ALA 3 HB3 ALA 3 7.529 2.319 -7.421 22 H LEU 4 H LEU 4 8.686 4.497 -7.336 23 HA LEU 4 HA LEU 4 7.400 6.308 -5.404 24 HB2 LEU 4 HB2 LEU 4 8.984 8.124 -6.028 25 HB3 LEU 4 HB3 LEU 4 9.680 6.877 -5.000 26 HG LEU 4 HG LEU 4 10.099 6.843 -8.012 27 HD11 LEU 4 HD11 LEU 4 10.800 9.032 -7.170 28 HD12 LEU 4 HD12 LEU 4 11.734 8.253 -5.866 29 HD13 LEU 4 HD13 LEU 4 12.220 8.040 -7.561 30 HD21 LEU 4 HD21 LEU 4 12.206 5.694 -7.338 31 HD22 LEU 4 HD22 LEU 4 11.674 5.741 -5.644 32 HD23 LEU 4 HD23 LEU 4 10.779 4.774 -6.844 33 H THR 5 H THR 5 5.613 5.712 -6.776 34 HA THR 5 HA THR 5 5.612 6.554 -9.549 35 HB THR 5 HB THR 5 3.007 6.209 -9.008 36 HG1 THR 5 HG1 THR 5 3.292 5.972 -6.788 37 HG21 THR 5 HG21 THR 5 5.062 3.974 -9.174 38 HG22 THR 5 HG22 THR 5 3.314 3.807 -9.489 39 HG23 THR 5 HG23 THR 5 4.304 4.835 -10.542 40 H GLN 6 H GLN 6 5.404 8.336 -6.635 41 HA GLN 6 HA GLN 6 3.818 10.401 -8.073 42 HB2 GLN 6 HB2 GLN 6 3.926 9.861 -5.079 43 HB3 GLN 6 HB3 GLN 6 3.023 11.139 -5.887 44 HG2 GLN 6 HG2 GLN 6 1.924 9.327 -7.324 45 HG3 GLN 6 HG3 GLN 6 2.695 8.116 -6.293 46 HE21 GLN 6 HE21 GLN 6 -0.688 8.316 -5.043 47 HE22 GLN 6 HE22 GLN 6 0.265 7.664 -6.366 48 H ILE 7 H ILE 7 4.908 12.035 -8.728 49 HA ILE 7 HA ILE 7 7.373 12.833 -7.258 50 HB ILE 7 HB ILE 7 6.833 13.048 -10.237 51 HG12 ILE 7 HG12 ILE 7 6.928 10.673 -9.729 52 HG13 ILE 7 HG13 ILE 7 8.412 11.176 -10.538 53 HG21 ILE 7 HG21 ILE 7 9.339 13.380 -8.547 54 HG22 ILE 7 HG22 ILE 7 9.295 13.403 -10.329 55 HG23 ILE 7 HG23 ILE 7 8.450 14.658 -9.406 56 HD11 ILE 7 HD11 ILE 7 9.584 11.233 -8.359 57 HD12 ILE 7 HD12 ILE 7 8.071 10.747 -7.543 58 HD13 ILE 7 HD13 ILE 7 8.868 9.638 -8.675 59 H LEU 8 H LEU 8 7.433 14.889 -6.558 60 HA LEU 8 HA LEU 8 5.352 16.777 -7.416 61 HB2 LEU 8 HB2 LEU 8 6.451 16.328 -5.006 62 HB3 LEU 8 HB3 LEU 8 7.595 17.535 -5.570 63 HG LEU 8 HG LEU 8 4.587 17.805 -5.197 64 HD11 LEU 8 HD11 LEU 8 5.290 19.539 -3.577 65 HD12 LEU 8 HD12 LEU 8 5.997 17.963 -3.169 66 HD13 LEU 8 HD13 LEU 8 6.994 19.202 -3.962 67 HD21 LEU 8 HD21 LEU 8 5.022 19.136 -7.150 68 HD22 LEU 8 HD22 LEU 8 4.921 20.230 -5.765 69 HD23 LEU 8 HD23 LEU 8 6.513 19.813 -6.424 70 H ILE 9 H ILE 9 5.762 18.687 -8.572 71 HA ILE 9 HA ILE 9 8.362 18.772 -10.038 72 HB ILE 9 HB ILE 9 5.544 19.642 -10.763 73 HG12 ILE 9 HG12 ILE 9 7.275 17.479 -12.029 74 HG13 ILE 9 HG13 ILE 9 6.086 17.148 -10.756 75 HG21 ILE 9 HG21 ILE 9 7.240 21.155 -11.757 76 HG22 ILE 9 HG22 ILE 9 8.086 19.747 -12.445 77 HG23 ILE 9 HG23 ILE 9 6.448 20.174 -13.001 78 HD11 ILE 9 HD11 ILE 9 4.279 18.054 -12.149 79 HD12 ILE 9 HD12 ILE 9 5.434 18.398 -13.458 80 HD13 ILE 9 HD13 ILE 9 5.117 16.722 -12.973 81 H VAL 10 H VAL 10 9.666 20.456 -9.519 82 HA VAL 10 HA VAL 10 8.412 22.959 -8.491 83 HB VAL 10 HB VAL 10 10.947 21.686 -7.404 84 HG11 VAL 10 HG11 VAL 10 9.218 23.999 -6.433 85 HG12 VAL 10 HG12 VAL 10 10.630 23.348 -5.582 86 HG13 VAL 10 HG13 VAL 10 10.832 24.122 -7.166 87 HG21 VAL 10 HG21 VAL 10 9.082 20.239 -6.784 88 HG22 VAL 10 HG22 VAL 10 9.657 21.144 -5.377 89 HG23 VAL 10 HG23 VAL 10 8.154 21.639 -6.201 90 H GLU 11 H GLU 11 8.989 24.648 -9.769 91 HA GLU 11 HA GLU 11 11.795 24.973 -10.492 92 HB2 GLU 11 HB2 GLU 11 10.880 23.490 -12.274 93 HB3 GLU 11 HB3 GLU 11 9.721 24.761 -12.713 94 HG2 GLU 11 HG2 GLU 11 11.537 26.277 -13.295 95 HG3 GLU 11 HG3 GLU 11 12.742 25.173 -12.607 96 H ASP 12 H ASP 12 12.240 27.097 -11.416 97 HA ASP 12 HA ASP 12 10.675 29.142 -10.126 98 HB2 ASP 12 HB2 ASP 12 13.151 29.134 -10.320 99 HB3 ASP 12 HB3 ASP 12 13.006 29.309 -12.073 100 H GLU 13 H GLU 13 10.253 27.555 -13.101 101 HA GLU 13 HA GLU 13 8.674 29.851 -14.153 102 HB2 GLU 13 HB2 GLU 13 10.428 27.899 -15.681 103 HB3 GLU 13 HB3 GLU 13 9.257 28.972 -16.450 104 HG2 GLU 13 HG2 GLU 13 11.590 29.892 -14.718 105 HG3 GLU 13 HG3 GLU 13 11.594 29.850 -16.486 106 HA PRO 14 HA PRO 14 5.546 26.707 -13.929 107 HB2 PRO 14 HB2 PRO 14 3.439 28.087 -14.933 108 HB3 PRO 14 HB3 PRO 14 4.194 28.550 -13.370 109 HG2 PRO 14 HG2 PRO 14 4.717 29.724 -16.118 110 HG3 PRO 14 HG3 PRO 14 4.336 30.602 -14.597 111 HD2 PRO 14 HD2 PRO 14 6.908 30.241 -15.463 112 HD3 PRO 14 HD3 PRO 14 6.487 30.207 -13.723 113 H LEU 15 H LEU 15 6.694 28.179 -16.909 114 HA LEU 15 HA LEU 15 4.940 26.741 -18.685 115 HB2 LEU 15 HB2 LEU 15 7.676 27.997 -19.159 116 HB3 LEU 15 HB3 LEU 15 6.548 27.490 -20.420 117 HG LEU 15 HG LEU 15 6.023 29.667 -18.351 118 HD11 LEU 15 HD11 LEU 15 6.549 29.792 -21.348 119 HD12 LEU 15 HD12 LEU 15 6.175 31.174 -20.292 120 HD13 LEU 15 HD13 LEU 15 7.692 30.271 -20.069 121 HD21 LEU 15 HD21 LEU 15 3.925 28.554 -18.996 122 HD22 LEU 15 HD22 LEU 15 4.022 30.157 -19.738 123 HD23 LEU 15 HD23 LEU 15 4.363 28.704 -20.714 124 H ILE 16 H ILE 16 8.132 26.051 -17.223 125 HA ILE 16 HA ILE 16 8.378 23.588 -18.815 126 HB ILE 16 HB ILE 16 10.087 24.641 -16.542 127 HG12 ILE 16 HG12 ILE 16 10.092 26.257 -18.370 128 HG13 ILE 16 HG13 ILE 16 11.640 25.409 -18.303 129 HG21 ILE 16 HG21 ILE 16 11.811 23.120 -17.570 130 HG22 ILE 16 HG22 ILE 16 10.425 22.260 -16.885 131 HG23 ILE 16 HG23 ILE 16 10.550 22.474 -18.642 132 HD11 ILE 16 HD11 ILE 16 10.886 25.668 -20.620 133 HD12 ILE 16 HD12 ILE 16 10.928 23.954 -20.185 134 HD13 ILE 16 HD13 ILE 16 9.372 24.820 -20.257 135 H ALA 17 H ALA 17 7.127 24.640 -15.691 136 HA ALA 17 HA ALA 17 7.221 22.055 -14.444 137 HB1 ALA 17 HB1 ALA 17 5.329 24.402 -13.986 138 HB2 ALA 17 HB2 ALA 17 5.589 23.038 -12.879 139 HB3 ALA 17 HB3 ALA 17 6.915 24.172 -13.197 140 H MET 18 H MET 18 4.876 23.709 -16.595 141 HA MET 18 HA MET 18 2.942 21.534 -16.426 142 HB2 MET 18 HB2 MET 18 3.248 23.892 -18.327 143 HB3 MET 18 HB3 MET 18 1.876 22.763 -18.332 144 HG2 MET 18 HG2 MET 18 1.350 23.347 -16.014 145 HG3 MET 18 HG3 MET 18 2.734 24.437 -15.941 146 HE1 MET 18 HE1 MET 18 -0.267 26.905 -15.766 147 HE2 MET 18 HE2 MET 18 -0.153 25.274 -15.059 148 HE3 MET 18 HE3 MET 18 1.254 26.363 -15.020 149 H MET 19 H MET 19 5.762 22.347 -18.418 150 HA MET 19 HA MET 19 5.230 20.420 -20.489 151 HB2 MET 19 HB2 MET 19 6.814 22.363 -20.619 152 HB3 MET 19 HB3 MET 19 7.886 21.524 -19.480 153 HG2 MET 19 HG2 MET 19 8.156 19.678 -21.067 154 HG3 MET 19 HG3 MET 19 7.010 20.432 -22.180 155 HE1 MET 19 HE1 MET 19 8.663 20.235 -24.163 156 HE2 MET 19 HE2 MET 19 10.324 20.861 -24.174 157 HE3 MET 19 HE3 MET 19 9.902 19.484 -23.124 158 H LEU 20 H LEU 20 6.615 20.281 -17.219 159 HA LEU 20 HA LEU 20 7.676 17.602 -17.495 160 HB2 LEU 20 HB2 LEU 20 7.395 19.678 -15.417 161 HB3 LEU 20 HB3 LEU 20 7.104 18.056 -14.787 162 HG LEU 20 HG LEU 20 9.469 18.771 -14.592 163 HD11 LEU 20 HD11 LEU 20 8.965 16.376 -16.399 164 HD12 LEU 20 HD12 LEU 20 10.410 16.662 -15.394 165 HD13 LEU 20 HD13 LEU 20 8.826 16.411 -14.632 166 HD21 LEU 20 HD21 LEU 20 9.594 20.077 -16.702 167 HD22 LEU 20 HD22 LEU 20 10.899 18.894 -16.542 168 HD23 LEU 20 HD23 LEU 20 9.534 18.559 -17.630 169 H GLU 21 H GLU 21 4.491 18.982 -16.576 170 HA GLU 21 HA GLU 21 3.462 16.452 -15.651 171 HB2 GLU 21 HB2 GLU 21 1.980 18.852 -16.807 172 HB3 GLU 21 HB3 GLU 21 1.253 17.486 -15.946 173 HG2 GLU 21 HG2 GLU 21 2.715 18.073 -13.956 174 HG3 GLU 21 HG3 GLU 21 3.171 19.547 -14.814 175 H ASP 22 H ASP 22 4.041 17.835 -18.842 176 HA ASP 22 HA ASP 22 2.114 16.167 -20.202 177 HB2 ASP 22 HB2 ASP 22 2.957 18.325 -21.077 178 HB3 ASP 22 HB3 ASP 22 4.565 17.612 -21.276 179 H PHE 23 H PHE 23 5.698 15.891 -19.614 180 HA PHE 23 HA PHE 23 5.811 13.434 -21.145 181 HB2 PHE 23 HB2 PHE 23 7.730 14.811 -19.257 182 HB3 PHE 23 HB3 PHE 23 8.065 13.232 -19.977 183 HD1 PHE 23 HD1 PHE 23 7.925 16.831 -20.597 184 HD2 PHE 23 HD2 PHE 23 8.289 12.958 -22.428 185 HE1 PHE 23 HE1 PHE 23 8.703 17.895 -22.692 186 HE2 PHE 23 HE2 PHE 23 9.099 14.024 -24.514 187 HZ PHE 23 HZ PHE 23 9.304 16.488 -24.657 188 H LEU 24 H LEU 24 4.927 14.174 -17.808 189 HA LEU 24 HA LEU 24 5.391 11.421 -16.952 190 HB2 LEU 24 HB2 LEU 24 4.376 13.940 -15.709 191 HB3 LEU 24 HB3 LEU 24 3.774 12.417 -15.043 192 HG LEU 24 HG LEU 24 6.055 11.597 -14.703 193 HD11 LEU 24 HD11 LEU 24 8.001 13.077 -14.934 194 HD12 LEU 24 HD12 LEU 24 7.235 12.799 -16.505 195 HD13 LEU 24 HD13 LEU 24 6.973 14.339 -15.644 196 HD21 LEU 24 HD21 LEU 24 4.937 12.840 -12.906 197 HD22 LEU 24 HD22 LEU 24 6.684 13.132 -12.880 198 HD23 LEU 24 HD23 LEU 24 5.589 14.371 -13.543 199 H GLU 25 H GLU 25 2.843 13.097 -18.662 200 HA GLU 25 HA GLU 25 0.888 10.979 -18.051 201 HB2 GLU 25 HB2 GLU 25 0.867 13.384 -19.896 202 HB3 GLU 25 HB3 GLU 25 -0.441 12.184 -19.840 203 HG2 GLU 25 HG2 GLU 25 -0.717 12.572 -17.416 204 HG3 GLU 25 HG3 GLU 25 0.541 13.812 -17.458 205 H VAL 26 H VAL 26 3.415 11.635 -20.383 206 HA VAL 26 HA VAL 26 2.453 9.617 -22.283 207 HB VAL 26 HB VAL 26 5.006 11.257 -22.071 208 HG11 VAL 26 HG11 VAL 26 4.087 9.367 -24.282 209 HG12 VAL 26 HG12 VAL 26 5.422 10.531 -24.425 210 HG13 VAL 26 HG13 VAL 26 5.545 9.191 -23.271 211 HG21 VAL 26 HG21 VAL 26 2.622 11.372 -23.971 212 HG22 VAL 26 HG22 VAL 26 2.915 12.497 -22.630 213 HG23 VAL 26 HG23 VAL 26 4.041 12.447 -24.004 214 H LEU 27 H LEU 27 4.328 9.702 -19.363 215 HA LEU 27 HA LEU 27 5.428 7.004 -19.928 216 HB2 LEU 27 HB2 LEU 27 6.232 9.103 -17.885 217 HB3 LEU 27 HB3 LEU 27 6.964 7.497 -18.011 218 HG LEU 27 HG LEU 27 6.962 9.567 -20.254 219 HD11 LEU 27 HD11 LEU 27 8.332 10.255 -18.318 220 HD12 LEU 27 HD12 LEU 27 9.169 8.679 -18.357 221 HD13 LEU 27 HD13 LEU 27 9.346 9.819 -19.712 222 HD21 LEU 27 HD21 LEU 27 8.670 8.065 -21.255 223 HD22 LEU 27 HD22 LEU 27 8.392 6.894 -19.946 224 HD23 LEU 27 HD23 LEU 27 7.097 7.264 -21.111 225 H ASP 28 H ASP 28 2.616 7.898 -18.966 226 HA ASP 28 HA ASP 28 1.033 7.172 -17.541 227 HB2 ASP 28 HB2 ASP 28 1.610 5.136 -18.842 228 HB3 ASP 28 HB3 ASP 28 2.684 4.631 -17.529 229 H LYS 29 H LYS 29 3.050 8.694 -16.259 230 HA LYS 29 HA LYS 29 3.585 7.428 -13.674 231 HB2 LYS 29 HB2 LYS 29 4.765 9.431 -15.285 232 HB3 LYS 29 HB3 LYS 29 4.153 10.292 -13.866 233 HG2 LYS 29 HG2 LYS 29 5.964 7.842 -13.824 234 HG3 LYS 29 HG3 LYS 29 6.505 9.519 -13.621 235 HD2 LYS 29 HD2 LYS 29 4.965 9.719 -11.639 236 HD3 LYS 29 HD3 LYS 29 4.664 7.971 -11.756 237 HE2 LYS 29 HE2 LYS 29 7.394 9.288 -11.421 238 HE3 LYS 29 HE3 LYS 29 6.448 8.555 -10.120 239 HZ1 LYS 29 HZ1 LYS 29 6.589 6.454 -11.326 240 HZ2 LYS 29 HZ2 LYS 29 7.494 7.158 -12.498 241 HZ3 LYS 29 HZ3 LYS 29 8.084 7.038 -10.968 242 H THR 30 H THR 30 3.016 8.690 -11.624 243 HA THR 30 HA THR 30 0.300 9.893 -11.893 244 HB THR 30 HB THR 30 1.408 8.380 -9.494 245 HG1 THR 30 HG1 THR 30 0.025 6.749 -10.263 246 HG21 THR 30 HG21 THR 30 -1.389 9.305 -10.274 247 HG22 THR 30 HG22 THR 30 -0.968 8.342 -8.836 248 HG23 THR 30 HG23 THR 30 -0.382 10.010 -8.985 249 HA PRO 31 HA PRO 31 3.157 13.199 -10.321 250 HB2 PRO 31 HB2 PRO 31 1.935 15.279 -11.645 251 HB3 PRO 31 HB3 PRO 31 3.195 14.242 -12.391 252 HG2 PRO 31 HG2 PRO 31 0.185 13.974 -12.625 253 HG3 PRO 31 HG3 PRO 31 1.404 13.957 -13.943 254 HD2 PRO 31 HD2 PRO 31 0.420 11.659 -12.922 255 HD3 PRO 31 HD3 PRO 31 2.160 11.795 -13.329 256 H VAL 32 H VAL 32 2.601 14.982 -8.853 257 HA VAL 32 HA VAL 32 -0.127 14.609 -7.707 258 HB VAL 32 HB VAL 32 0.873 14.849 -5.481 259 HG11 VAL 32 HG11 VAL 32 0.563 12.600 -6.588 260 HG12 VAL 32 HG12 VAL 32 2.271 12.674 -7.090 261 HG13 VAL 32 HG13 VAL 32 1.844 12.654 -5.362 262 HG21 VAL 32 HG21 VAL 32 2.906 16.128 -6.027 263 HG22 VAL 32 HG22 VAL 32 3.328 14.604 -5.210 264 HG23 VAL 32 HG23 VAL 32 3.538 14.744 -6.959 265 H GLY 33 H GLY 33 2.156 16.944 -8.899 266 HA2 GLY 33 HA2 GLY 33 0.334 19.005 -8.936 267 HA3 GLY 33 HA3 GLY 33 1.080 19.159 -7.347 268 H THR 34 H THR 34 1.378 21.261 -8.846 269 HA THR 34 HA THR 34 4.265 21.247 -9.550 270 HB THR 34 HB THR 34 3.747 22.960 -11.301 271 HG1 THR 34 HG1 THR 34 1.665 23.523 -10.557 272 HG21 THR 34 HG21 THR 34 2.896 21.385 -13.002 273 HG22 THR 34 HG22 THR 34 4.146 20.649 -11.982 274 HG23 THR 34 HG23 THR 34 2.434 20.246 -11.710 275 H VAL 35 H VAL 35 5.386 22.995 -8.728 276 HA VAL 35 HA VAL 35 3.843 25.215 -7.527 277 HB VAL 35 HB VAL 35 5.207 25.081 -5.460 278 HG11 VAL 35 HG11 VAL 35 3.581 22.562 -6.008 279 HG12 VAL 35 HG12 VAL 35 3.981 23.241 -4.415 280 HG13 VAL 35 HG13 VAL 35 2.917 24.140 -5.516 281 HG21 VAL 35 HG21 VAL 35 6.006 22.335 -6.504 282 HG22 VAL 35 HG22 VAL 35 7.085 23.740 -6.351 283 HG23 VAL 35 HG23 VAL 35 6.374 23.005 -4.897 284 H ASP 36 H ASP 36 5.113 27.102 -7.103 285 HA ASP 36 HA ASP 36 7.340 27.302 -9.047 286 HB2 ASP 36 HB2 ASP 36 5.544 29.432 -7.841 287 HB3 ASP 36 HB3 ASP 36 6.803 29.713 -9.047 288 H THR 37 H THR 37 6.984 26.874 -5.770 289 HA THR 37 HA THR 37 9.583 28.196 -5.228 290 HB THR 37 HB THR 37 8.758 29.074 -3.092 291 HG1 THR 37 HG1 THR 37 6.504 29.056 -2.731 292 HG21 THR 37 HG21 THR 37 8.666 30.531 -5.107 293 HG22 THR 37 HG22 THR 37 6.986 30.011 -5.388 294 HG23 THR 37 HG23 THR 37 7.406 30.928 -3.921 295 H VAL 38 H VAL 38 10.632 27.372 -3.290 296 HA VAL 38 HA VAL 38 10.263 24.504 -3.032 297 HB VAL 38 HB VAL 38 12.168 24.657 -1.461 298 HG11 VAL 38 HG11 VAL 38 13.816 25.492 -3.107 299 HG12 VAL 38 HG12 VAL 38 12.587 24.453 -3.860 300 HG13 VAL 38 HG13 VAL 38 12.503 26.221 -4.051 301 HG21 VAL 38 HG21 VAL 38 11.666 26.868 -0.451 302 HG22 VAL 38 HG22 VAL 38 13.306 26.818 -1.129 303 HG23 VAL 38 HG23 VAL 38 12.011 27.658 -2.007 304 H ALA 39 H ALA 39 9.137 27.334 -1.288 305 HA ALA 39 HA ALA 39 8.507 25.896 1.158 306 HB1 ALA 39 HB1 ALA 39 7.285 27.971 1.714 307 HB2 ALA 39 HB2 ALA 39 8.923 28.329 1.128 308 HB3 ALA 39 HB3 ALA 39 7.523 28.561 0.051 309 H GLY 40 H GLY 40 6.945 26.469 -1.971 310 HA2 GLY 40 HA2 GLY 40 4.307 25.620 -1.122 311 HA3 GLY 40 HA3 GLY 40 4.906 25.813 -2.789 312 H ALA 41 H ALA 41 7.285 24.050 -2.250 313 HA ALA 41 HA ALA 41 6.071 21.540 -2.956 314 HB1 ALA 41 HB1 ALA 41 8.911 22.191 -2.058 315 HB2 ALA 41 HB2 ALA 41 8.388 20.705 -2.874 316 HB3 ALA 41 HB3 ALA 41 8.312 22.262 -3.731 317 H LEU 42 H LEU 42 7.500 22.886 0.058 318 HA LEU 42 HA LEU 42 7.164 20.455 1.559 319 HB2 LEU 42 HB2 LEU 42 8.780 22.239 2.120 320 HB3 LEU 42 HB3 LEU 42 7.445 23.356 2.442 321 HG LEU 42 HG LEU 42 6.679 21.942 4.309 322 HD11 LEU 42 HD11 LEU 42 9.109 20.229 3.620 323 HD12 LEU 42 HD12 LEU 42 8.134 20.077 5.099 324 HD13 LEU 42 HD13 LEU 42 7.403 19.719 3.529 325 HD21 LEU 42 HD21 LEU 42 8.348 23.725 4.708 326 HD22 LEU 42 HD22 LEU 42 8.589 22.352 5.810 327 HD23 LEU 42 HD23 LEU 42 9.658 22.567 4.401 328 H ALA 43 H ALA 43 5.055 23.161 0.687 329 HA ALA 43 HA ALA 43 3.101 22.715 2.748 330 HB1 ALA 43 HB1 ALA 43 3.371 24.859 1.555 331 HB2 ALA 43 HB2 ALA 43 2.853 24.081 0.044 332 HB3 ALA 43 HB3 ALA 43 1.720 24.221 1.402 333 H ARG 44 H ARG 44 3.747 21.200 -0.387 334 HA ARG 44 HA ARG 44 1.112 19.878 -0.418 335 HB2 ARG 44 HB2 ARG 44 3.590 19.587 -2.144 336 HB3 ARG 44 HB3 ARG 44 2.069 18.731 -2.426 337 HG2 ARG 44 HG2 ARG 44 2.375 21.765 -2.485 338 HG3 ARG 44 HG3 ARG 44 2.357 20.692 -3.895 339 HD2 ARG 44 HD2 ARG 44 0.166 21.471 -3.800 340 HD3 ARG 44 HD3 ARG 44 0.066 19.871 -3.050 341 HE ARG 44 HE ARG 44 0.309 22.383 -1.430 342 HH11 ARG 44 HH11 ARG 44 -1.440 19.392 -2.194 343 HH12 ARG 44 HH12 ARG 44 -2.516 19.562 -0.822 344 HH21 ARG 44 HH21 ARG 44 -1.169 22.570 0.302 345 HH22 ARG 44 HH22 ARG 44 -2.388 21.335 0.534 346 H VAL 45 H VAL 45 4.354 19.241 0.781 347 HA VAL 45 HA VAL 45 3.962 16.356 0.953 348 HB VAL 45 HB VAL 45 6.027 18.284 2.067 349 HG11 VAL 45 HG11 VAL 45 5.913 16.384 3.608 350 HG12 VAL 45 HG12 VAL 45 5.952 15.242 2.236 351 HG13 VAL 45 HG13 VAL 45 7.365 16.253 2.602 352 HG21 VAL 45 HG21 VAL 45 7.477 17.219 0.387 353 HG22 VAL 45 HG22 VAL 45 6.166 16.117 -0.083 354 HG23 VAL 45 HG23 VAL 45 6.026 17.859 -0.406 355 H GLU 46 H GLU 46 3.355 19.154 3.070 356 HA GLU 46 HA GLU 46 2.863 17.418 5.370 357 HB2 GLU 46 HB2 GLU 46 2.323 19.457 6.555 358 HB3 GLU 46 HB3 GLU 46 3.828 19.682 5.648 359 HG2 GLU 46 HG2 GLU 46 2.592 20.873 3.875 360 HG3 GLU 46 HG3 GLU 46 1.069 20.613 4.744 361 H ASP 47 H ASP 47 1.061 18.334 2.624 362 HA ASP 47 HA ASP 47 -1.530 18.089 4.069 363 HB2 ASP 47 HB2 ASP 47 -1.077 20.173 2.833 364 HB3 ASP 47 HB3 ASP 47 -0.880 19.248 1.342 365 H GLY 48 H GLY 48 0.586 16.306 2.005 366 HA2 GLY 48 HA2 GLY 48 -1.318 14.141 1.811 367 HA3 GLY 48 HA3 GLY 48 -1.063 14.937 0.246 368 H GLY 49 H GLY 49 -0.412 12.270 0.605 369 HA2 GLY 49 HA2 GLY 49 2.380 11.950 1.315 370 HA3 GLY 49 HA3 GLY 49 1.326 10.731 0.589 371 H ILE 50 H ILE 50 4.143 11.796 0.027 372 HA ILE 50 HA ILE 50 3.891 11.824 -2.913 373 HB ILE 50 HB ILE 50 5.468 13.879 -1.298 374 HG12 ILE 50 HG12 ILE 50 3.022 14.128 -3.097 375 HG13 ILE 50 HG13 ILE 50 3.103 14.446 -1.354 376 HG21 ILE 50 HG21 ILE 50 6.670 13.108 -3.329 377 HG22 ILE 50 HG22 ILE 50 5.240 13.494 -4.319 378 HG23 ILE 50 HG23 ILE 50 6.147 14.780 -3.492 379 HD11 ILE 50 HD11 ILE 50 3.098 16.549 -2.537 380 HD12 ILE 50 HD12 ILE 50 4.701 16.319 -1.801 381 HD13 ILE 50 HD13 ILE 50 4.467 16.045 -3.544 382 H ASP 51 H ASP 51 5.749 10.804 -3.897 383 HA ASP 51 HA ASP 51 7.272 9.236 -1.884 384 HB2 ASP 51 HB2 ASP 51 6.973 8.831 -4.879 385 HB3 ASP 51 HB3 ASP 51 7.791 7.743 -3.741 386 H ALA 52 H ALA 52 7.742 11.563 -4.528 387 HA ALA 52 HA ALA 52 10.386 12.205 -3.493 388 HB1 ALA 52 HB1 ALA 52 10.924 10.235 -4.874 389 HB2 ALA 52 HB2 ALA 52 10.095 10.976 -6.262 390 HB3 ALA 52 HB3 ALA 52 11.579 11.714 -5.605 391 H ALA 53 H ALA 53 11.434 13.886 -5.115 392 HA ALA 53 HA ALA 53 9.392 15.414 -6.596 393 HB1 ALA 53 HB1 ALA 53 9.226 16.282 -4.306 394 HB2 ALA 53 HB2 ALA 53 10.986 16.568 -4.275 395 HB3 ALA 53 HB3 ALA 53 9.953 17.495 -5.384 396 H ILE 54 H ILE 54 10.303 17.043 -7.998 397 HA ILE 54 HA ILE 54 13.232 16.720 -8.495 398 HB ILE 54 HB ILE 54 11.006 17.445 -10.433 399 HG12 ILE 54 HG12 ILE 54 12.767 14.966 -10.185 400 HG13 ILE 54 HG13 ILE 54 11.049 15.046 -9.775 401 HG21 ILE 54 HG21 ILE 54 14.002 17.057 -10.862 402 HG22 ILE 54 HG22 ILE 54 12.805 17.417 -12.126 403 HG23 ILE 54 HG23 ILE 54 13.150 18.621 -10.882 404 HD11 ILE 54 HD11 ILE 54 12.264 15.413 -12.543 405 HD12 ILE 54 HD12 ILE 54 11.279 14.056 -11.971 406 HD13 ILE 54 HD13 ILE 54 10.544 15.663 -12.153 407 H LEU 55 H LEU 55 14.437 18.453 -8.075 408 HA LEU 55 HA LEU 55 13.045 21.043 -7.544 409 HB2 LEU 55 HB2 LEU 55 15.400 19.630 -6.252 410 HB3 LEU 55 HB3 LEU 55 15.168 21.366 -6.098 411 HG LEU 55 HG LEU 55 14.366 20.083 -4.152 412 HD11 LEU 55 HD11 LEU 55 12.176 21.565 -5.650 413 HD12 LEU 55 HD12 LEU 55 12.271 21.302 -3.893 414 HD13 LEU 55 HD13 LEU 55 13.477 22.321 -4.705 415 HD21 LEU 55 HD21 LEU 55 13.446 18.106 -5.413 416 HD22 LEU 55 HD22 LEU 55 12.343 18.789 -4.204 417 HD23 LEU 55 HD23 LEU 55 12.085 19.139 -5.924 418 H ASP 56 H ASP 56 13.643 22.745 -8.787 419 HA ASP 56 HA ASP 56 16.057 22.532 -10.445 420 HB2 ASP 56 HB2 ASP 56 13.877 23.559 -11.213 421 HB3 ASP 56 HB3 ASP 56 14.197 24.909 -10.113 422 H VAL 57 H VAL 57 17.902 23.934 -10.205 423 HA VAL 57 HA VAL 57 18.427 24.502 -7.376 424 HB VAL 57 HB VAL 57 20.019 23.243 -8.719 425 HG11 VAL 57 HG11 VAL 57 20.387 25.813 -10.309 426 HG12 VAL 57 HG12 VAL 57 21.351 24.321 -10.467 427 HG13 VAL 57 HG13 VAL 57 19.628 24.313 -10.897 428 HG21 VAL 57 HG21 VAL 57 20.811 24.677 -6.810 429 HG22 VAL 57 HG22 VAL 57 22.045 24.374 -8.056 430 HG23 VAL 57 HG23 VAL 57 21.222 25.942 -7.992 431 H ASN 58 H ASN 58 17.247 26.329 -10.014 432 HA ASN 58 HA ASN 58 18.275 28.856 -8.825 433 HB2 ASN 58 HB2 ASN 58 18.679 28.392 -11.250 434 HB3 ASN 58 HB3 ASN 58 16.931 28.391 -11.505 435 HD21 ASN 58 HD21 ASN 58 17.743 31.780 -12.451 436 HD22 ASN 58 HD22 ASN 58 17.683 30.144 -13.074 437 H LEU 59 H LEU 59 16.898 30.399 -8.043 438 HA LEU 59 HA LEU 59 14.009 30.204 -8.381 439 HB2 LEU 59 HB2 LEU 59 14.439 28.604 -6.521 440 HB3 LEU 59 HB3 LEU 59 15.339 29.856 -5.653 441 HG LEU 59 HG LEU 59 13.263 31.241 -5.544 442 HD11 LEU 59 HD11 LEU 59 11.974 28.750 -6.743 443 HD12 LEU 59 HD12 LEU 59 11.097 30.136 -6.050 444 HD13 LEU 59 HD13 LEU 59 12.076 30.345 -7.517 445 HD21 LEU 59 HD21 LEU 59 13.890 29.736 -3.693 446 HD22 LEU 59 HD22 LEU 59 12.125 29.828 -3.868 447 HD23 LEU 59 HD23 LEU 59 13.007 28.403 -4.469 448 H ARG 60 H ARG 60 13.166 32.255 -8.344 449 HA ARG 60 HA ARG 60 14.979 34.485 -7.829 450 HB2 ARG 60 HB2 ARG 60 12.046 34.342 -8.620 451 HB3 ARG 60 HB3 ARG 60 12.953 35.853 -8.418 452 HG2 ARG 60 HG2 ARG 60 14.557 35.168 -10.150 453 HG3 ARG 60 HG3 ARG 60 13.747 33.601 -10.312 454 HD2 ARG 60 HD2 ARG 60 13.022 35.080 -12.109 455 HD3 ARG 60 HD3 ARG 60 11.666 34.755 -11.023 456 HE ARG 60 HE ARG 60 11.656 36.998 -10.357 457 HH11 ARG 60 HH11 ARG 60 14.533 36.335 -12.300 458 HH12 ARG 60 HH12 ARG 60 14.937 38.027 -12.487 459 HH21 ARG 60 HH21 ARG 60 12.214 39.186 -10.608 460 HH22 ARG 60 HH22 ARG 60 13.637 39.631 -11.517 461 H GLY 61 H GLY 61 15.023 35.850 -6.111 462 HA2 GLY 61 HA2 GLY 61 14.600 36.690 -4.026 463 HA3 GLY 61 HA3 GLY 61 12.974 35.986 -4.100 464 H GLY 62 H GLY 62 15.149 33.489 -4.703 465 HA2 GLY 62 HA2 GLY 62 14.727 32.345 -2.053 466 HA3 GLY 62 HA3 GLY 62 15.492 31.568 -3.438 467 H GLU 63 H GLU 63 16.507 31.298 -0.868 468 HA GLU 63 HA GLU 63 19.107 32.733 -1.110 469 HB2 GLU 63 HB2 GLU 63 17.738 33.620 0.752 470 HB3 GLU 63 HB3 GLU 63 17.638 31.997 1.447 471 HG2 GLU 63 HG2 GLU 63 20.091 31.942 1.716 472 HG3 GLU 63 HG3 GLU 63 20.226 33.525 0.929 473 H LYS 64 H LYS 64 20.962 31.512 -0.620 474 HA LYS 64 HA LYS 64 22.234 29.652 -0.822 475 HB2 LYS 64 HB2 LYS 64 21.460 29.741 1.592 476 HB3 LYS 64 HB3 LYS 64 20.338 28.425 1.199 477 HG2 LYS 64 HG2 LYS 64 22.288 27.039 0.452 478 HG3 LYS 64 HG3 LYS 64 23.376 28.368 0.864 479 HD2 LYS 64 HD2 LYS 64 21.540 26.891 2.798 480 HD3 LYS 64 HD3 LYS 64 23.288 26.642 2.642 481 HE2 LYS 64 HE2 LYS 64 21.933 29.243 3.478 482 HE3 LYS 64 HE3 LYS 64 22.682 28.081 4.574 483 HZ1 LYS 64 HZ1 LYS 64 24.778 28.463 3.448 484 HZ2 LYS 64 HZ2 LYS 64 24.084 29.560 2.441 485 HZ3 LYS 64 HZ3 LYS 64 24.179 29.870 4.052 486 H SER 65 H SER 65 20.517 29.840 -2.897 487 HA SER 65 HA SER 65 19.387 28.799 -4.533 488 HB2 SER 65 HB2 SER 65 20.385 26.755 -5.401 489 HB3 SER 65 HB3 SER 65 21.597 27.971 -4.952 490 HG SER 65 HG SER 65 22.184 25.906 -4.233 491 H THR 66 H THR 66 19.703 25.595 -3.102 492 HA THR 66 HA THR 66 16.787 25.641 -2.469 493 HB THR 66 HB THR 66 18.213 23.518 -4.117 494 HG1 THR 66 HG1 THR 66 16.805 24.356 -5.736 495 HG21 THR 66 HG21 THR 66 15.275 23.880 -3.360 496 HG22 THR 66 HG22 THR 66 15.918 22.643 -4.459 497 HG23 THR 66 HG23 THR 66 16.355 22.605 -2.745 498 HA PRO 67 HA PRO 67 19.237 23.644 0.881 499 HB2 PRO 67 HB2 PRO 67 18.401 25.128 2.983 500 HB3 PRO 67 HB3 PRO 67 19.572 25.790 1.796 501 HG2 PRO 67 HG2 PRO 67 16.562 26.194 1.852 502 HG3 PRO 67 HG3 PRO 67 17.832 27.453 1.726 503 HD2 PRO 67 HD2 PRO 67 16.554 26.405 -0.465 504 HD3 PRO 67 HD3 PRO 67 18.266 26.919 -0.519 505 H VAL 68 H VAL 68 15.889 24.067 0.121 506 HA VAL 68 HA VAL 68 14.820 22.681 2.444 507 HB VAL 68 HB VAL 68 13.545 23.408 -0.222 508 HG11 VAL 68 HG11 VAL 68 11.418 23.283 1.086 509 HG12 VAL 68 HG12 VAL 68 12.213 21.711 0.952 510 HG13 VAL 68 HG13 VAL 68 12.327 22.636 2.469 511 HG21 VAL 68 HG21 VAL 68 14.372 25.405 0.974 512 HG22 VAL 68 HG22 VAL 68 12.600 25.317 1.079 513 HG23 VAL 68 HG23 VAL 68 13.593 24.839 2.470 514 H ALA 69 H ALA 69 16.278 21.674 -0.560 515 HA ALA 69 HA ALA 69 14.855 19.241 -0.956 516 HB1 ALA 69 HB1 ALA 69 16.871 18.587 -2.239 517 HB2 ALA 69 HB2 ALA 69 16.379 20.248 -2.623 518 HB3 ALA 69 HB3 ALA 69 17.762 19.955 -1.537 519 H GLU 70 H GLU 70 17.478 20.169 1.263 520 HA GLU 70 HA GLU 70 18.155 17.454 1.997 521 HB2 GLU 70 HB2 GLU 70 18.720 20.125 3.339 522 HB3 GLU 70 HB3 GLU 70 19.481 18.579 3.763 523 HG2 GLU 70 HG2 GLU 70 20.412 18.396 1.478 524 HG3 GLU 70 HG3 GLU 70 19.636 19.911 1.019 525 H ALA 71 H ALA 71 15.608 19.660 2.904 526 HA ALA 71 HA ALA 71 15.085 18.353 5.469 527 HB1 ALA 71 HB1 ALA 71 13.403 20.263 3.793 528 HB2 ALA 71 HB2 ALA 71 13.080 19.783 5.473 529 HB3 ALA 71 HB3 ALA 71 14.533 20.736 5.088 530 H LEU 72 H LEU 72 14.118 18.028 2.070 531 HA LEU 72 HA LEU 72 11.942 16.183 2.620 532 HB2 LEU 72 HB2 LEU 72 13.594 16.682 0.108 533 HB3 LEU 72 HB3 LEU 72 12.116 15.708 0.188 534 HG LEU 72 HG LEU 72 12.293 18.681 0.835 535 HD11 LEU 72 HD11 LEU 72 11.131 17.202 -1.560 536 HD12 LEU 72 HD12 LEU 72 11.043 18.955 -1.279 537 HD13 LEU 72 HD13 LEU 72 12.617 18.178 -1.565 538 HD21 LEU 72 HD21 LEU 72 10.489 17.586 2.103 539 HD22 LEU 72 HD22 LEU 72 9.808 18.558 0.793 540 HD23 LEU 72 HD23 LEU 72 9.912 16.787 0.618 541 H ALA 73 H ALA 73 15.455 15.911 1.944 542 HA ALA 73 HA ALA 73 15.429 13.033 1.836 543 HB1 ALA 73 HB1 ALA 73 17.205 14.345 0.795 544 HB2 ALA 73 HB2 ALA 73 17.672 15.032 2.370 545 HB3 ALA 73 HB3 ALA 73 17.894 13.297 2.049 546 H ALA 74 H ALA 74 15.427 15.399 4.440 547 HA ALA 74 HA ALA 74 16.182 13.424 6.464 548 HB1 ALA 74 HB1 ALA 74 15.069 16.250 6.692 549 HB2 ALA 74 HB2 ALA 74 15.724 15.272 8.029 550 HB3 ALA 74 HB3 ALA 74 16.790 15.803 6.709 551 H ARG 75 H ARG 75 13.353 14.256 4.713 552 HA ARG 75 HA ARG 75 11.595 13.040 6.765 553 HB2 ARG 75 HB2 ARG 75 11.132 15.338 5.691 554 HB3 ARG 75 HB3 ARG 75 10.680 14.434 4.235 555 HG2 ARG 75 HG2 ARG 75 8.971 13.194 5.577 556 HG3 ARG 75 HG3 ARG 75 9.474 14.107 7.018 557 HD2 ARG 75 HD2 ARG 75 8.887 16.224 5.839 558 HD3 ARG 75 HD3 ARG 75 8.318 15.282 4.455 559 HE ARG 75 HE ARG 75 6.954 15.712 6.997 560 HH11 ARG 75 HH11 ARG 75 7.213 13.550 4.205 561 HH12 ARG 75 HH12 ARG 75 5.596 12.912 4.410 562 HH21 ARG 75 HH21 ARG 75 4.855 14.855 7.229 563 HH22 ARG 75 HH22 ARG 75 4.270 13.650 6.108 564 H ASP 76 H ASP 76 13.580 11.721 4.813 565 HA ASP 76 HA ASP 76 13.743 9.891 3.568 566 HB2 ASP 76 HB2 ASP 76 12.643 8.972 5.597 567 HB3 ASP 76 HB3 ASP 76 11.087 9.066 4.759 568 H ILE 77 H ILE 77 12.597 12.173 2.256 569 HA ILE 77 HA ILE 77 11.167 10.775 0.032 570 HB ILE 77 HB ILE 77 10.938 13.652 0.986 571 HG12 ILE 77 HG12 ILE 77 8.926 11.363 0.822 572 HG13 ILE 77 HG13 ILE 77 9.679 11.970 2.308 573 HG21 ILE 77 HG21 ILE 77 9.365 13.968 -0.870 574 HG22 ILE 77 HG22 ILE 77 10.925 13.460 -1.517 575 HG23 ILE 77 HG23 ILE 77 9.596 12.283 -1.387 576 HD11 ILE 77 HD11 ILE 77 8.650 14.207 1.889 577 HD12 ILE 77 HD12 ILE 77 7.804 13.521 0.475 578 HD13 ILE 77 HD13 ILE 77 7.450 12.916 2.098 579 HA PRO 78 HA PRO 78 15.282 11.715 -1.663 580 HB2 PRO 78 HB2 PRO 78 14.021 10.156 -3.901 581 HB3 PRO 78 HB3 PRO 78 15.668 9.995 -3.213 582 HG2 PRO 78 HG2 PRO 78 13.762 8.186 -2.566 583 HG3 PRO 78 HG3 PRO 78 14.813 8.862 -1.274 584 HD2 PRO 78 HD2 PRO 78 12.010 9.732 -2.041 585 HD3 PRO 78 HD3 PRO 78 12.674 9.382 -0.416 586 H PHE 79 H PHE 79 16.040 12.912 -3.563 587 HA PHE 79 HA PHE 79 13.954 14.200 -5.193 588 HB2 PHE 79 HB2 PHE 79 14.743 16.431 -4.698 589 HB3 PHE 79 HB3 PHE 79 14.212 15.646 -3.221 590 HD1 PHE 79 HD1 PHE 79 17.237 16.604 -5.192 591 HD2 PHE 79 HD2 PHE 79 15.690 15.384 -1.369 592 HE1 PHE 79 HE1 PHE 79 19.418 17.135 -4.143 593 HE2 PHE 79 HE2 PHE 79 17.876 15.964 -0.317 594 HZ PHE 79 HZ PHE 79 19.720 16.830 -1.693 595 H VAL 80 H VAL 80 14.937 15.598 -6.905 596 HA VAL 80 HA VAL 80 17.637 14.698 -7.768 597 HB VAL 80 HB VAL 80 15.063 14.684 -9.403 598 HG11 VAL 80 HG11 VAL 80 17.951 14.248 -10.260 599 HG12 VAL 80 HG12 VAL 80 16.526 13.843 -11.250 600 HG13 VAL 80 HG13 VAL 80 16.849 15.529 -10.816 601 HG21 VAL 80 HG21 VAL 80 15.663 12.273 -9.702 602 HG22 VAL 80 HG22 VAL 80 17.009 12.492 -8.558 603 HG23 VAL 80 HG23 VAL 80 15.329 12.684 -8.012 604 H PHE 81 H PHE 81 18.816 16.264 -8.891 605 HA PHE 81 HA PHE 81 17.735 18.998 -8.703 606 HB2 PHE 81 HB2 PHE 81 20.479 17.866 -9.298 607 HB3 PHE 81 HB3 PHE 81 20.092 19.574 -9.465 608 HD1 PHE 81 HD1 PHE 81 21.587 17.316 -7.329 609 HD2 PHE 81 HD2 PHE 81 18.756 20.550 -7.289 610 HE1 PHE 81 HE1 PHE 81 22.135 17.766 -4.942 611 HE2 PHE 81 HE2 PHE 81 19.231 20.929 -4.872 612 HZ PHE 81 HZ PHE 81 20.928 19.556 -3.713 613 H ALA 82 H ALA 82 17.670 20.452 -10.432 614 HA ALA 82 HA ALA 82 18.157 19.413 -13.153 615 HB1 ALA 82 HB1 ALA 82 15.573 20.738 -12.244 616 HB2 ALA 82 HB2 ALA 82 15.995 20.330 -13.925 617 HB3 ALA 82 HB3 ALA 82 15.760 19.036 -12.726 618 H THR 83 H THR 83 18.847 21.007 -14.593 619 HA THR 83 HA THR 83 18.714 23.826 -13.870 620 HB THR 83 HB THR 83 20.592 23.024 -12.454 621 HG1 THR 83 HG1 THR 83 22.061 24.556 -13.239 622 HG21 THR 83 HG21 THR 83 22.690 22.276 -13.507 623 HG22 THR 83 HG22 THR 83 21.378 21.142 -13.881 624 HG23 THR 83 HG23 THR 83 21.927 22.310 -15.106 625 H GLY 84 H GLY 84 19.517 25.213 -15.546 626 HA2 GLY 84 HA2 GLY 84 19.900 23.866 -18.193 627 HA3 GLY 84 HA3 GLY 84 19.265 25.510 -17.951 628 H GLY 85 H GLY 85 22.136 23.506 -18.131 629 HA2 GLY 85 HA2 GLY 85 23.975 25.396 -18.886 630 HA3 GLY 85 HA3 GLY 85 23.974 25.520 -17.118 631 H SER 86 H SER 86 26.245 24.808 -17.339 632 HA SER 86 HA SER 86 26.743 22.065 -18.188 633 HB2 SER 86 HB2 SER 86 29.051 22.550 -17.586 634 HB3 SER 86 HB3 SER 86 28.378 23.887 -18.545 635 HG SER 86 HG SER 86 29.506 24.640 -16.701 636 H ASP 87 H ASP 87 27.920 20.534 -16.743 637 HA ASP 87 HA ASP 87 26.446 20.193 -14.260 638 HB2 ASP 87 HB2 ASP 87 27.689 18.063 -14.148 639 HB3 ASP 87 HB3 ASP 87 26.919 18.295 -15.725 640 H ASP 88 H ASP 88 29.126 22.025 -15.046 641 HA ASP 88 HA ASP 88 30.530 21.566 -12.489 642 HB2 ASP 88 HB2 ASP 88 31.775 21.718 -14.634 643 HB3 ASP 88 HB3 ASP 88 31.201 23.378 -14.832 644 H SER 89 H SER 89 27.883 23.300 -13.488 645 HA SER 89 HA SER 89 28.488 25.800 -12.098 646 HB2 SER 89 HB2 SER 89 25.947 24.775 -13.414 647 HB3 SER 89 HB3 SER 89 26.175 26.402 -12.749 648 HG SER 89 HG SER 89 27.673 25.209 -14.853 649 H VAL 90 H VAL 90 28.016 22.867 -10.862 650 HA VAL 90 HA VAL 90 26.541 23.888 -8.502 651 HB VAL 90 HB VAL 90 25.418 21.668 -8.325 652 HG11 VAL 90 HG11 VAL 90 24.647 23.312 -10.760 653 HG12 VAL 90 HG12 VAL 90 23.588 22.221 -9.830 654 HG13 VAL 90 HG13 VAL 90 24.228 23.687 -9.068 655 HG21 VAL 90 HG21 VAL 90 26.833 20.406 -9.923 656 HG22 VAL 90 HG22 VAL 90 25.113 20.316 -10.342 657 HG23 VAL 90 HG23 VAL 90 26.190 21.388 -11.263 658 H ASP 91 H ASP 91 26.959 22.745 -6.549 659 HA ASP 91 HA ASP 91 29.734 22.040 -6.283 660 HB2 ASP 91 HB2 ASP 91 28.402 23.357 -4.646 661 HB3 ASP 91 HB3 ASP 91 27.458 21.910 -4.276 662 H SER 92 H SER 92 30.354 20.080 -4.876 663 HA SER 92 HA SER 92 29.911 17.764 -6.423 664 HB2 SER 92 HB2 SER 92 30.984 18.026 -3.589 665 HB3 SER 92 HB3 SER 92 31.208 16.636 -4.672 666 HG SER 92 HG SER 92 32.981 18.100 -4.728 667 H ARG 93 H ARG 93 27.932 19.059 -3.837 668 HA ARG 93 HA ARG 93 26.796 16.480 -3.093 669 HB2 ARG 93 HB2 ARG 93 25.777 19.317 -2.644 670 HB3 ARG 93 HB3 ARG 93 25.151 17.847 -1.875 671 HG2 ARG 93 HG2 ARG 93 27.460 17.421 -0.935 672 HG3 ARG 93 HG3 ARG 93 27.962 18.989 -1.591 673 HD2 ARG 93 HD2 ARG 93 27.390 19.321 0.719 674 HD3 ARG 93 HD3 ARG 93 26.112 20.064 -0.263 675 HE ARG 93 HE ARG 93 25.641 17.276 0.576 676 HH11 ARG 93 HH11 ARG 93 25.117 20.695 1.328 677 HH12 ARG 93 HH12 ARG 93 23.722 20.356 2.337 678 HH21 ARG 93 HH21 ARG 93 23.850 16.894 1.937 679 HH22 ARG 93 HH22 ARG 93 23.043 18.249 2.695 680 H PHE 94 H PHE 94 26.249 18.840 -5.629 681 HA PHE 94 HA PHE 94 23.664 17.667 -6.379 682 HB2 PHE 94 HB2 PHE 94 25.517 19.565 -7.856 683 HB3 PHE 94 HB3 PHE 94 23.850 19.194 -8.297 684 HD1 PHE 94 HD1 PHE 94 22.155 20.635 -7.615 685 HD2 PHE 94 HD2 PHE 94 25.878 20.622 -5.473 686 HE1 PHE 94 HE1 PHE 94 21.377 22.556 -6.268 687 HE2 PHE 94 HE2 PHE 94 25.100 22.542 -4.109 688 HZ PHE 94 HZ PHE 94 22.847 23.516 -4.505 689 H ARG 95 H ARG 95 27.057 17.172 -6.931 690 HA ARG 95 HA ARG 95 26.648 15.569 -9.358 691 HB2 ARG 95 HB2 ARG 95 29.131 16.064 -7.660 692 HB3 ARG 95 HB3 ARG 95 29.086 15.288 -9.256 693 HG2 ARG 95 HG2 ARG 95 28.190 17.371 -10.253 694 HG3 ARG 95 HG3 ARG 95 28.205 18.154 -8.662 695 HD2 ARG 95 HD2 ARG 95 30.182 18.823 -9.931 696 HD3 ARG 95 HD3 ARG 95 30.647 17.868 -8.520 697 HE ARG 95 HE ARG 95 31.410 16.154 -9.903 698 HH11 ARG 95 HH11 ARG 95 29.657 18.555 -11.832 699 HH12 ARG 95 HH12 ARG 95 30.186 17.873 -13.350 700 HH21 ARG 95 HH21 ARG 95 32.088 15.312 -11.907 701 HH22 ARG 95 HH22 ARG 95 31.558 16.060 -13.394 702 H ASP 96 H ASP 96 26.491 15.106 -5.961 703 HA ASP 96 HA ASP 96 27.034 12.210 -6.143 704 HB2 ASP 96 HB2 ASP 96 27.829 13.530 -4.206 705 HB3 ASP 96 HB3 ASP 96 26.158 13.979 -3.834 706 H ARG 97 H ARG 97 24.336 14.502 -6.023 707 HA ARG 97 HA ARG 97 22.359 12.308 -5.904 708 HB2 ARG 97 HB2 ARG 97 22.097 15.336 -6.119 709 HB3 ARG 97 HB3 ARG 97 20.723 14.224 -6.020 710 HG2 ARG 97 HG2 ARG 97 22.878 14.513 -3.887 711 HG3 ARG 97 HG3 ARG 97 21.280 15.274 -3.836 712 HD2 ARG 97 HD2 ARG 97 20.220 13.028 -3.934 713 HD3 ARG 97 HD3 ARG 97 21.832 12.280 -3.907 714 HE ARG 97 HE ARG 97 21.739 13.991 -1.700 715 HH11 ARG 97 HH11 ARG 97 19.970 11.152 -2.842 716 HH12 ARG 97 HH12 ARG 97 19.581 10.595 -1.234 717 HH21 ARG 97 HH21 ARG 97 21.222 13.243 0.391 718 HH22 ARG 97 HH22 ARG 97 20.298 11.774 0.597 719 HA PRO 98 HA PRO 98 21.810 12.057 -10.275 720 HB2 PRO 98 HB2 PRO 98 18.857 12.341 -9.877 721 HB3 PRO 98 HB3 PRO 98 19.762 11.037 -10.710 722 HG2 PRO 98 HG2 PRO 98 18.699 10.618 -8.247 723 HG3 PRO 98 HG3 PRO 98 20.346 10.015 -8.634 724 HD2 PRO 98 HD2 PRO 98 19.594 12.566 -7.169 725 HD3 PRO 98 HD3 PRO 98 20.804 11.317 -6.722 726 H VAL 99 H VAL 99 21.254 13.320 -12.171 727 HA VAL 99 HA VAL 99 20.239 16.061 -11.673 728 HB VAL 99 HB VAL 99 22.078 17.000 -13.028 729 HG11 VAL 99 HG11 VAL 99 23.048 15.503 -10.563 730 HG12 VAL 99 HG12 VAL 99 23.791 16.946 -11.288 731 HG13 VAL 99 HG13 VAL 99 22.176 17.055 -10.559 732 HG21 VAL 99 HG21 VAL 99 22.771 14.955 -14.237 733 HG22 VAL 99 HG22 VAL 99 24.138 15.706 -13.390 734 HG23 VAL 99 HG23 VAL 99 23.363 14.254 -12.711 735 H LEU 100 H LEU 100 19.491 17.145 -13.546 736 HA LEU 100 HA LEU 100 19.367 15.612 -16.055 737 HB2 LEU 100 HB2 LEU 100 17.398 14.940 -14.622 738 HB3 LEU 100 HB3 LEU 100 16.881 16.630 -14.618 739 HG LEU 100 HG LEU 100 16.646 16.542 -17.106 740 HD11 LEU 100 HD11 LEU 100 16.700 14.314 -18.213 741 HD12 LEU 100 HD12 LEU 100 18.304 14.794 -17.634 742 HD13 LEU 100 HD13 LEU 100 17.356 13.601 -16.717 743 HD21 LEU 100 HD21 LEU 100 15.214 14.310 -15.601 744 HD22 LEU 100 HD22 LEU 100 14.734 16.019 -15.626 745 HD23 LEU 100 HD23 LEU 100 14.671 15.053 -17.119 746 H GLN 101 H GLN 101 19.044 16.938 -17.890 747 HA GLN 101 HA GLN 101 19.688 19.745 -17.461 748 HB2 GLN 101 HB2 GLN 101 20.022 19.865 -19.798 749 HB3 GLN 101 HB3 GLN 101 20.699 18.323 -19.277 750 HG2 GLN 101 HG2 GLN 101 17.933 18.691 -20.516 751 HG3 GLN 101 HG3 GLN 101 19.369 18.237 -21.423 752 HE21 GLN 101 HE21 GLN 101 17.277 15.220 -20.394 753 HE22 GLN 101 HE22 GLN 101 16.840 16.777 -21.080 754 H LYS 102 H LYS 102 18.447 21.490 -18.661 755 HA LYS 102 HA LYS 102 15.686 21.295 -17.801 756 HB2 LYS 102 HB2 LYS 102 17.027 23.297 -17.470 757 HB3 LYS 102 HB3 LYS 102 17.137 23.557 -19.223 758 HG2 LYS 102 HG2 LYS 102 14.719 23.812 -19.397 759 HG3 LYS 102 HG3 LYS 102 14.501 23.361 -17.698 760 HD2 LYS 102 HD2 LYS 102 15.974 25.835 -18.696 761 HD3 LYS 102 HD3 LYS 102 14.330 25.806 -18.035 762 HE2 LYS 102 HE2 LYS 102 16.878 25.052 -16.549 763 HE3 LYS 102 HE3 LYS 102 15.921 26.529 -16.326 764 HZ1 LYS 102 HZ1 LYS 102 14.966 23.797 -15.804 765 HZ2 LYS 102 HZ2 LYS 102 15.407 24.884 -14.662 766 HZ3 LYS 102 HZ3 LYS 102 14.092 25.175 -15.604 767 HA PRO 103 HA PRO 103 14.821 21.407 -22.573 768 HB2 PRO 103 HB2 PRO 103 17.207 19.805 -23.443 769 HB3 PRO 103 HB3 PRO 103 16.321 21.090 -24.334 770 HG2 PRO 103 HG2 PRO 103 18.725 21.629 -23.200 771 HG3 PRO 103 HG3 PRO 103 17.373 22.804 -23.034 772 HD2 PRO 103 HD2 PRO 103 18.281 20.700 -21.052 773 HD3 PRO 103 HD3 PRO 103 17.939 22.434 -20.766 774 H PHE 104 H PHE 104 13.327 19.821 -23.022 775 HA PHE 104 HA PHE 104 13.879 17.060 -22.019 776 HB2 PHE 104 HB2 PHE 104 11.487 18.852 -21.750 777 HB3 PHE 104 HB3 PHE 104 11.233 17.121 -21.958 778 HD1 PHE 104 HD1 PHE 104 13.964 18.798 -19.992 779 HD2 PHE 104 HD2 PHE 104 10.372 16.426 -19.905 780 HE1 PHE 104 HE1 PHE 104 14.296 18.372 -17.575 781 HE2 PHE 104 HE2 PHE 104 10.736 15.979 -17.501 782 HZ PHE 104 HZ PHE 104 12.680 16.969 -16.329 783 H THR 105 H THR 105 13.214 15.345 -23.243 784 HA THR 105 HA THR 105 11.733 15.731 -25.730 785 HB THR 105 HB THR 105 14.004 16.260 -26.461 786 HG1 THR 105 HG1 THR 105 14.096 14.674 -28.057 787 HG21 THR 105 HG21 THR 105 14.763 13.486 -25.459 788 HG22 THR 105 HG22 THR 105 15.809 14.622 -26.344 789 HG23 THR 105 HG23 THR 105 15.262 15.027 -24.706 790 H MET 106 H MET 106 11.217 13.570 -26.724 791 HA MET 106 HA MET 106 10.131 11.961 -24.648 792 HB2 MET 106 HB2 MET 106 10.438 11.462 -27.635 793 HB3 MET 106 HB3 MET 106 9.491 10.448 -26.532 794 HG2 MET 106 HG2 MET 106 7.964 11.938 -27.584 795 HG3 MET 106 HG3 MET 106 8.134 12.446 -25.908 796 HE1 MET 106 HE1 MET 106 6.701 14.195 -28.058 797 HE2 MET 106 HE2 MET 106 6.957 14.714 -26.375 798 HE3 MET 106 HE3 MET 106 7.374 15.804 -27.718 799 H ASP 107 H ASP 107 13.187 11.640 -26.450 800 HA ASP 107 HA ASP 107 13.487 8.849 -25.603 801 HB2 ASP 107 HB2 ASP 107 14.287 9.642 -27.794 802 HB3 ASP 107 HB3 ASP 107 15.414 10.749 -26.987 803 H GLY 108 H GLY 108 14.807 12.049 -24.670 804 HA2 GLY 108 HA2 GLY 108 16.802 10.873 -22.906 805 HA3 GLY 108 HA3 GLY 108 16.421 12.596 -23.111 806 H VAL 109 H VAL 109 13.470 12.026 -22.563 807 HA VAL 109 HA VAL 109 13.729 12.259 -19.643 808 HB VAL 109 HB VAL 109 11.358 12.558 -21.517 809 HG11 VAL 109 HG11 VAL 109 10.579 11.967 -19.267 810 HG12 VAL 109 HG12 VAL 109 11.664 13.188 -18.550 811 HG13 VAL 109 HG13 VAL 109 10.294 13.694 -19.563 812 HG21 VAL 109 HG21 VAL 109 13.218 14.269 -21.738 813 HG22 VAL 109 HG22 VAL 109 11.680 14.940 -21.163 814 HG23 VAL 109 HG23 VAL 109 13.009 14.640 -20.015 815 H ALA 110 H ALA 110 12.620 9.882 -22.052 816 HA ALA 110 HA ALA 110 11.181 8.271 -20.137 817 HB1 ALA 110 HB1 ALA 110 12.449 7.559 -22.819 818 HB2 ALA 110 HB2 ALA 110 11.277 6.567 -21.920 819 HB3 ALA 110 HB3 ALA 110 10.787 8.143 -22.575 820 H LYS 111 H LYS 111 14.559 8.588 -21.129 821 HA LYS 111 HA LYS 111 15.396 6.165 -19.707 822 HB2 LYS 111 HB2 LYS 111 16.898 8.423 -21.082 823 HB3 LYS 111 HB3 LYS 111 17.676 7.003 -20.354 824 HG2 LYS 111 HG2 LYS 111 16.519 5.505 -21.880 825 HG3 LYS 111 HG3 LYS 111 15.533 6.837 -22.516 826 HD2 LYS 111 HD2 LYS 111 17.573 7.953 -23.365 827 HD3 LYS 111 HD3 LYS 111 18.560 6.597 -22.778 828 HE2 LYS 111 HE2 LYS 111 17.390 5.043 -24.240 829 HE3 LYS 111 HE3 LYS 111 16.247 6.308 -24.733 830 HZ1 LYS 111 HZ1 LYS 111 19.146 6.375 -25.249 831 HZ2 LYS 111 HZ2 LYS 111 17.998 5.961 -26.352 832 HZ3 LYS 111 HZ3 LYS 111 18.029 7.481 -25.754 833 H ALA 112 H ALA 112 15.010 9.607 -19.032 834 HA ALA 112 HA ALA 112 16.722 9.541 -16.675 835 HB1 ALA 112 HB1 ALA 112 16.423 11.586 -18.000 836 HB2 ALA 112 HB2 ALA 112 14.675 11.575 -17.650 837 HB3 ALA 112 HB3 ALA 112 15.845 11.825 -16.336 838 H LEU 113 H LEU 113 13.245 9.143 -17.406 839 HA LEU 113 HA LEU 113 12.462 9.218 -14.624 840 HB2 LEU 113 HB2 LEU 113 11.139 9.586 -16.911 841 HB3 LEU 113 HB3 LEU 113 10.866 7.848 -16.783 842 HG LEU 113 HG LEU 113 8.979 9.042 -15.868 843 HD11 LEU 113 HD11 LEU 113 10.564 8.062 -13.472 844 HD12 LEU 113 HD12 LEU 113 8.805 8.170 -13.639 845 HD13 LEU 113 HD13 LEU 113 9.710 6.993 -14.616 846 HD21 LEU 113 HD21 LEU 113 10.130 11.177 -15.391 847 HD22 LEU 113 HD22 LEU 113 9.152 10.615 -14.017 848 HD23 LEU 113 HD23 LEU 113 10.916 10.436 -13.974 849 H ALA 114 H ALA 114 13.453 6.722 -16.981 850 HA ALA 114 HA ALA 114 12.788 4.490 -15.289 851 HB1 ALA 114 HB1 ALA 114 14.775 4.753 -17.585 852 HB2 ALA 114 HB2 ALA 114 14.180 3.224 -16.894 853 HB3 ALA 114 HB3 ALA 114 13.058 4.306 -17.736 854 H ALA 115 H ALA 115 15.522 6.725 -15.466 855 HA ALA 115 HA ALA 115 17.170 5.052 -13.701 856 HB1 ALA 115 HB1 ALA 115 17.558 7.877 -14.761 857 HB2 ALA 115 HB2 ALA 115 18.775 6.904 -13.904 858 HB3 ALA 115 HB3 ALA 115 18.191 6.386 -15.503 859 H LEU 116 H LEU 116 14.652 7.381 -13.365 860 HA LEU 116 HA LEU 116 15.517 8.256 -10.691 861 HB2 LEU 116 HB2 LEU 116 14.624 9.862 -12.262 862 HB3 LEU 116 HB3 LEU 116 13.140 8.922 -12.477 863 HG LEU 116 HG LEU 116 13.892 9.939 -9.725 864 HD11 LEU 116 HD11 LEU 116 12.478 11.514 -11.919 865 HD12 LEU 116 HD12 LEU 116 12.670 12.025 -10.225 866 HD13 LEU 116 HD13 LEU 116 14.096 11.864 -11.276 867 HD21 LEU 116 HD21 LEU 116 11.890 8.441 -9.958 868 HD22 LEU 116 HD22 LEU 116 11.423 10.085 -9.503 869 HD23 LEU 116 HD23 LEU 116 11.231 9.541 -11.184 870 H LEU 117 H LEU 117 13.329 5.964 -12.222 871 HA LEU 117 HA LEU 117 11.761 5.612 -9.795 872 HB2 LEU 117 HB2 LEU 117 10.854 5.664 -12.151 873 HB3 LEU 117 HB3 LEU 117 11.604 4.090 -12.426 874 HG LEU 117 HG LEU 117 10.159 3.078 -10.705 875 HD11 LEU 117 HD11 LEU 117 9.946 4.870 -9.096 876 HD12 LEU 117 HD12 LEU 117 9.205 5.947 -10.294 877 HD13 LEU 117 HD13 LEU 117 8.320 4.514 -9.710 878 HD21 LEU 117 HD21 LEU 117 8.633 4.885 -12.625 879 HD22 LEU 117 HD22 LEU 117 9.305 3.286 -13.002 880 HD23 LEU 117 HD23 LEU 117 7.990 3.431 -11.825 881 H VAL 118 H VAL 118 14.775 4.724 -10.267 882 HA VAL 118 HA VAL 118 14.434 2.121 -8.893 883 HB VAL 118 HB VAL 118 14.866 1.700 -11.294 884 HG11 VAL 118 HG11 VAL 118 17.037 2.249 -12.285 885 HG12 VAL 118 HG12 VAL 118 16.196 3.735 -11.790 886 HG13 VAL 118 HG13 VAL 118 17.533 3.089 -10.806 887 HG21 VAL 118 HG21 VAL 118 15.656 0.138 -9.538 888 HG22 VAL 118 HG22 VAL 118 16.704 0.133 -10.974 889 HG23 VAL 118 HG23 VAL 118 17.219 0.988 -9.498 Start of MODEL 16 1 H1 MET 1 H1 NME 1 7.059 2.223 3.281 2 H2 MET 1 H2 NME 1 6.007 1.075 3.814 3 H3 MET 1 H3 NME 1 5.447 2.557 3.368 4 HA MET 1 HA NME 1 6.702 0.599 1.580 5 HB2 MET 1 HB2 NME 1 3.787 1.466 1.839 6 HB3 MET 1 HB3 NME 1 4.443 0.456 0.542 7 HG2 MET 1 HG2 NME 1 5.152 -1.232 2.187 8 HG3 MET 1 HG3 NME 1 4.531 -0.222 3.499 9 HE1 MET 1 HE1 NME 1 1.923 -2.405 0.355 10 HE2 MET 1 HE2 NME 1 2.933 -1.011 -0.071 11 HE3 MET 1 HE3 NME 1 3.696 -2.530 0.469 12 H SER 2 H SER 2 6.468 1.183 -0.715 13 HA SER 2 HA SER 2 6.180 4.085 -1.253 14 HB2 SER 2 HB2 SER 2 8.611 2.419 -2.023 15 HB3 SER 2 HB3 SER 2 8.291 4.090 -2.528 16 HG SER 2 HG SER 2 9.665 3.971 -0.696 17 H ALA 3 H ALA 3 5.897 4.566 -3.515 18 HA ALA 3 HA ALA 3 5.245 2.244 -5.255 19 HB1 ALA 3 HB1 ALA 3 3.056 3.266 -5.790 20 HB2 ALA 3 HB2 ALA 3 3.166 2.902 -4.053 21 HB3 ALA 3 HB3 ALA 3 3.389 4.573 -4.625 22 H LEU 4 H LEU 4 6.291 5.516 -4.827 23 HA LEU 4 HA LEU 4 6.941 7.169 -6.236 24 HB2 LEU 4 HB2 LEU 4 7.883 4.795 -7.870 25 HB3 LEU 4 HB3 LEU 4 8.435 6.471 -8.051 26 HG LEU 4 HG LEU 4 8.731 4.852 -5.488 27 HD11 LEU 4 HD11 LEU 4 10.823 5.655 -7.541 28 HD12 LEU 4 HD12 LEU 4 11.091 4.709 -6.068 29 HD13 LEU 4 HD13 LEU 4 10.134 4.007 -7.402 30 HD21 LEU 4 HD21 LEU 4 8.649 7.329 -5.193 31 HD22 LEU 4 HD22 LEU 4 10.284 6.690 -4.888 32 HD23 LEU 4 HD23 LEU 4 9.916 7.496 -6.435 33 H THR 5 H THR 5 4.103 6.182 -6.714 34 HA THR 5 HA THR 5 3.820 6.766 -9.587 35 HB THR 5 HB THR 5 1.288 6.620 -8.682 36 HG1 THR 5 HG1 THR 5 1.242 4.975 -7.110 37 HG21 THR 5 HG21 THR 5 3.140 4.285 -9.273 38 HG22 THR 5 HG22 THR 5 1.361 4.237 -9.354 39 HG23 THR 5 HG23 THR 5 2.267 5.289 -10.467 40 H GLN 6 H GLN 6 4.083 8.582 -6.713 41 HA GLN 6 HA GLN 6 2.571 10.804 -7.995 42 HB2 GLN 6 HB2 GLN 6 3.047 10.195 -5.037 43 HB3 GLN 6 HB3 GLN 6 2.361 11.685 -5.666 44 HG2 GLN 6 HG2 GLN 6 0.435 10.436 -5.199 45 HG3 GLN 6 HG3 GLN 6 0.678 10.118 -6.925 46 HE21 GLN 6 HE21 GLN 6 -0.059 6.807 -5.715 47 HE22 GLN 6 HE22 GLN 6 -0.831 8.297 -6.230 48 H ILE 7 H ILE 7 3.764 12.373 -8.757 49 HA ILE 7 HA ILE 7 6.459 12.837 -7.563 50 HB ILE 7 HB ILE 7 5.707 13.457 -10.421 51 HG12 ILE 7 HG12 ILE 7 5.294 11.076 -10.217 52 HG13 ILE 7 HG13 ILE 7 6.770 11.367 -11.136 53 HG21 ILE 7 HG21 ILE 7 7.707 14.540 -9.496 54 HG22 ILE 7 HG22 ILE 7 8.354 12.970 -8.984 55 HG23 ILE 7 HG23 ILE 7 8.173 13.327 -10.712 56 HD11 ILE 7 HD11 ILE 7 6.984 9.488 -9.499 57 HD12 ILE 7 HD12 ILE 7 8.146 10.797 -9.187 58 HD13 ILE 7 HD13 ILE 7 6.683 10.627 -8.181 59 H LEU 8 H LEU 8 6.853 14.844 -6.822 60 HA LEU 8 HA LEU 8 4.826 16.955 -7.289 61 HB2 LEU 8 HB2 LEU 8 5.815 16.118 -4.984 62 HB3 LEU 8 HB3 LEU 8 7.171 17.164 -5.401 63 HG LEU 8 HG LEU 8 4.257 17.924 -4.989 64 HD11 LEU 8 HD11 LEU 8 5.209 19.275 -3.150 65 HD12 LEU 8 HD12 LEU 8 5.620 17.553 -2.963 66 HD13 LEU 8 HD13 LEU 8 6.837 18.696 -3.570 67 HD21 LEU 8 HD21 LEU 8 5.015 19.362 -6.778 68 HD22 LEU 8 HD22 LEU 8 5.025 20.290 -5.276 69 HD23 LEU 8 HD23 LEU 8 6.557 19.675 -5.936 70 H ILE 9 H ILE 9 5.284 18.687 -8.622 71 HA ILE 9 HA ILE 9 8.004 18.818 -9.796 72 HB ILE 9 HB ILE 9 5.366 20.061 -10.642 73 HG12 ILE 9 HG12 ILE 9 6.959 17.768 -11.881 74 HG13 ILE 9 HG13 ILE 9 5.530 17.557 -10.855 75 HG21 ILE 9 HG21 ILE 9 8.065 19.974 -12.070 76 HG22 ILE 9 HG22 ILE 9 6.561 20.667 -12.720 77 HG23 ILE 9 HG23 ILE 9 7.336 21.420 -11.324 78 HD11 ILE 9 HD11 ILE 9 5.582 19.016 -13.527 79 HD12 ILE 9 HD12 ILE 9 4.896 17.414 -13.212 80 HD13 ILE 9 HD13 ILE 9 4.166 18.848 -12.462 81 H VAL 10 H VAL 10 9.353 20.525 -9.452 82 HA VAL 10 HA VAL 10 8.238 22.938 -8.101 83 HB VAL 10 HB VAL 10 10.906 21.632 -7.454 84 HG11 VAL 10 HG11 VAL 10 10.891 23.237 -5.567 85 HG12 VAL 10 HG12 VAL 10 10.850 24.066 -7.139 86 HG13 VAL 10 HG13 VAL 10 9.366 23.929 -6.174 87 HG21 VAL 10 HG21 VAL 10 9.104 20.196 -6.594 88 HG22 VAL 10 HG22 VAL 10 9.896 21.059 -5.257 89 HG23 VAL 10 HG23 VAL 10 8.312 21.607 -5.861 90 H GLU 11 H GLU 11 8.746 24.773 -9.206 91 HA GLU 11 HA GLU 11 11.203 24.853 -10.813 92 HB2 GLU 11 HB2 GLU 11 9.897 25.522 -12.866 93 HB3 GLU 11 HB3 GLU 11 9.821 23.826 -12.411 94 HG2 GLU 11 HG2 GLU 11 7.643 24.528 -13.102 95 HG3 GLU 11 HG3 GLU 11 7.599 24.171 -11.377 96 H ASP 12 H ASP 12 11.628 26.916 -11.783 97 HA ASP 12 HA ASP 12 10.244 29.191 -10.459 98 HB2 ASP 12 HB2 ASP 12 12.508 28.694 -9.510 99 HB3 ASP 12 HB3 ASP 12 13.204 28.960 -11.113 100 H GLU 13 H GLU 13 10.269 27.634 -13.187 101 HA GLU 13 HA GLU 13 9.986 30.038 -14.880 102 HB2 GLU 13 HB2 GLU 13 12.299 29.199 -15.211 103 HB3 GLU 13 HB3 GLU 13 11.665 27.592 -15.579 104 HG2 GLU 13 HG2 GLU 13 12.174 28.715 -17.660 105 HG3 GLU 13 HG3 GLU 13 10.419 28.563 -17.524 106 HA PRO 14 HA PRO 14 6.248 27.575 -15.176 107 HB2 PRO 14 HB2 PRO 14 5.748 29.540 -17.411 108 HB3 PRO 14 HB3 PRO 14 4.622 29.002 -16.119 109 HG2 PRO 14 HG2 PRO 14 5.847 31.391 -15.899 110 HG3 PRO 14 HG3 PRO 14 5.796 30.301 -14.473 111 HD2 PRO 14 HD2 PRO 14 8.053 30.712 -16.446 112 HD3 PRO 14 HD3 PRO 14 8.114 30.658 -14.653 113 H LEU 15 H LEU 15 8.564 28.002 -17.769 114 HA LEU 15 HA LEU 15 7.174 26.375 -19.718 115 HB2 LEU 15 HB2 LEU 15 10.121 27.074 -19.433 116 HB3 LEU 15 HB3 LEU 15 9.359 26.373 -20.866 117 HG LEU 15 HG LEU 15 8.714 29.112 -19.671 118 HD11 LEU 15 HD11 LEU 15 10.163 28.296 -22.224 119 HD12 LEU 15 HD12 LEU 15 9.788 29.964 -21.718 120 HD13 LEU 15 HD13 LEU 15 10.924 28.978 -20.770 121 HD21 LEU 15 HD21 LEU 15 6.729 28.149 -20.754 122 HD22 LEU 15 HD22 LEU 15 7.411 29.436 -21.762 123 HD23 LEU 15 HD23 LEU 15 7.691 27.736 -22.195 124 H ILE 16 H ILE 16 9.132 25.704 -16.885 125 HA ILE 16 HA ILE 16 9.822 22.989 -17.719 126 HB ILE 16 HB ILE 16 9.949 24.369 -15.011 127 HG12 ILE 16 HG12 ILE 16 11.341 25.531 -16.665 128 HG13 ILE 16 HG13 ILE 16 12.331 24.686 -15.475 129 HG21 ILE 16 HG21 ILE 16 11.630 22.582 -14.498 130 HG22 ILE 16 HG22 ILE 16 9.988 21.965 -14.729 131 HG23 ILE 16 HG23 ILE 16 11.190 21.778 -16.025 132 HD11 ILE 16 HD11 ILE 16 12.737 22.851 -17.102 133 HD12 ILE 16 HD12 ILE 16 11.724 23.704 -18.301 134 HD13 ILE 16 HD13 ILE 16 13.247 24.416 -17.744 135 H ALA 17 H ALA 17 7.173 24.606 -16.011 136 HA ALA 17 HA ALA 17 6.110 22.191 -14.831 137 HB1 ALA 17 HB1 ALA 17 5.619 24.453 -13.959 138 HB2 ALA 17 HB2 ALA 17 4.808 24.871 -15.480 139 HB3 ALA 17 HB3 ALA 17 4.122 23.612 -14.423 140 H MET 18 H MET 18 5.931 23.702 -18.015 141 HA MET 18 HA MET 18 3.555 22.194 -18.797 142 HB2 MET 18 HB2 MET 18 4.065 24.456 -19.675 143 HB3 MET 18 HB3 MET 18 5.538 23.824 -20.436 144 HG2 MET 18 HG2 MET 18 4.175 22.275 -21.792 145 HG3 MET 18 HG3 MET 18 2.708 22.869 -20.997 146 HE1 MET 18 HE1 MET 18 2.348 24.171 -24.669 147 HE2 MET 18 HE2 MET 18 3.087 22.641 -24.147 148 HE3 MET 18 HE3 MET 18 1.603 23.228 -23.360 149 H MET 19 H MET 19 7.105 21.906 -19.141 150 HA MET 19 HA MET 19 6.912 19.726 -21.055 151 HB2 MET 19 HB2 MET 19 9.190 20.769 -19.335 152 HB3 MET 19 HB3 MET 19 9.360 19.486 -20.541 153 HG2 MET 19 HG2 MET 19 8.391 22.315 -21.099 154 HG3 MET 19 HG3 MET 19 10.014 21.706 -21.436 155 HE1 MET 19 HE1 MET 19 10.639 19.993 -23.269 156 HE2 MET 19 HE2 MET 19 9.509 18.793 -22.600 157 HE3 MET 19 HE3 MET 19 9.472 19.176 -24.333 158 H LEU 20 H LEU 20 7.144 19.955 -17.483 159 HA LEU 20 HA LEU 20 7.637 17.087 -17.271 160 HB2 LEU 20 HB2 LEU 20 7.295 19.404 -15.385 161 HB3 LEU 20 HB3 LEU 20 6.962 17.784 -14.765 162 HG LEU 20 HG LEU 20 9.318 18.560 -14.388 163 HD11 LEU 20 HD11 LEU 20 8.952 16.055 -16.069 164 HD12 LEU 20 HD12 LEU 20 10.287 16.393 -14.943 165 HD13 LEU 20 HD13 LEU 20 8.632 16.203 -14.327 166 HD21 LEU 20 HD21 LEU 20 9.655 19.698 -16.573 167 HD22 LEU 20 HD22 LEU 20 10.909 18.498 -16.204 168 HD23 LEU 20 HD23 LEU 20 9.634 18.118 -17.384 169 H GLU 21 H GLU 21 4.771 19.201 -17.283 170 HA GLU 21 HA GLU 21 3.046 17.060 -16.315 171 HB2 GLU 21 HB2 GLU 21 2.581 19.755 -17.635 172 HB3 GLU 21 HB3 GLU 21 1.246 18.650 -17.272 173 HG2 GLU 21 HG2 GLU 21 3.246 19.565 -15.167 174 HG3 GLU 21 HG3 GLU 21 1.736 20.421 -15.513 175 H ASP 22 H ASP 22 4.493 17.922 -19.382 176 HA ASP 22 HA ASP 22 2.498 16.563 -20.990 177 HB2 ASP 22 HB2 ASP 22 3.892 18.415 -21.834 178 HB3 ASP 22 HB3 ASP 22 5.340 17.407 -21.644 179 H PHE 23 H PHE 23 5.747 15.657 -19.636 180 HA PHE 23 HA PHE 23 5.557 13.058 -20.962 181 HB2 PHE 23 HB2 PHE 23 7.573 14.340 -19.116 182 HB3 PHE 23 HB3 PHE 23 7.663 12.633 -19.566 183 HD1 PHE 23 HD1 PHE 23 7.666 11.996 -22.035 184 HD2 PHE 23 HD2 PHE 23 8.461 15.976 -20.621 185 HE1 PHE 23 HE1 PHE 23 8.743 12.542 -24.193 186 HE2 PHE 23 HE2 PHE 23 9.533 16.530 -22.797 187 HZ PHE 23 HZ PHE 23 9.682 14.810 -24.578 188 H LEU 24 H LEU 24 4.572 14.342 -17.810 189 HA LEU 24 HA LEU 24 4.373 11.652 -16.675 190 HB2 LEU 24 HB2 LEU 24 3.266 14.354 -15.835 191 HB3 LEU 24 HB3 LEU 24 3.013 12.861 -14.916 192 HG LEU 24 HG LEU 24 5.753 14.016 -15.584 193 HD11 LEU 24 HD11 LEU 24 4.404 15.425 -14.027 194 HD12 LEU 24 HD12 LEU 24 4.186 14.007 -12.968 195 HD13 LEU 24 HD13 LEU 24 5.810 14.687 -13.225 196 HD21 LEU 24 HD21 LEU 24 5.811 11.575 -15.229 197 HD22 LEU 24 HD22 LEU 24 6.552 12.436 -13.866 198 HD23 LEU 24 HD23 LEU 24 4.915 11.776 -13.701 199 H GLU 25 H GLU 25 2.479 13.594 -18.868 200 HA GLU 25 HA GLU 25 0.027 12.065 -18.360 201 HB2 GLU 25 HB2 GLU 25 -0.018 14.449 -19.003 202 HB3 GLU 25 HB3 GLU 25 0.753 14.050 -20.550 203 HG2 GLU 25 HG2 GLU 25 -1.170 12.643 -21.166 204 HG3 GLU 25 HG3 GLU 25 -1.919 12.951 -19.590 205 H VAL 26 H VAL 26 2.823 11.972 -20.531 206 HA VAL 26 HA VAL 26 1.566 10.045 -22.348 207 HB VAL 26 HB VAL 26 4.337 11.270 -22.126 208 HG11 VAL 26 HG11 VAL 26 3.285 9.324 -24.222 209 HG12 VAL 26 HG12 VAL 26 4.779 10.274 -24.369 210 HG13 VAL 26 HG13 VAL 26 4.641 9.044 -23.101 211 HG21 VAL 26 HG21 VAL 26 2.458 12.717 -22.923 212 HG22 VAL 26 HG22 VAL 26 3.659 12.404 -24.198 213 HG23 VAL 26 HG23 VAL 26 2.112 11.528 -24.196 214 H LEU 27 H LEU 27 3.365 9.932 -19.364 215 HA LEU 27 HA LEU 27 4.006 7.069 -19.801 216 HB2 LEU 27 HB2 LEU 27 4.886 9.043 -17.664 217 HB3 LEU 27 HB3 LEU 27 5.338 7.336 -17.692 218 HG LEU 27 HG LEU 27 5.983 9.325 -19.911 219 HD11 LEU 27 HD11 LEU 27 8.290 9.137 -19.058 220 HD12 LEU 27 HD12 LEU 27 7.208 9.787 -17.809 221 HD13 LEU 27 HD13 LEU 27 7.726 8.091 -17.732 222 HD21 LEU 27 HD21 LEU 27 6.837 6.438 -19.429 223 HD22 LEU 27 HD22 LEU 27 5.817 7.028 -20.764 224 HD23 LEU 27 HD23 LEU 27 7.519 7.517 -20.668 225 H ASP 28 H ASP 28 1.272 8.431 -19.134 226 HA ASP 28 HA ASP 28 -0.532 8.041 -17.829 227 HB2 ASP 28 HB2 ASP 28 0.660 5.252 -17.722 228 HB3 ASP 28 HB3 ASP 28 -1.020 5.677 -17.349 229 H LYS 29 H LYS 29 1.644 9.212 -16.454 230 HA LYS 29 HA LYS 29 1.894 7.905 -13.846 231 HB2 LYS 29 HB2 LYS 29 3.425 9.646 -15.460 232 HB3 LYS 29 HB3 LYS 29 2.943 10.625 -14.072 233 HG2 LYS 29 HG2 LYS 29 4.285 7.891 -13.937 234 HG3 LYS 29 HG3 LYS 29 5.113 9.449 -13.737 235 HD2 LYS 29 HD2 LYS 29 3.567 9.955 -11.808 236 HD3 LYS 29 HD3 LYS 29 2.980 8.272 -11.913 237 HE2 LYS 29 HE2 LYS 29 5.862 9.146 -11.481 238 HE3 LYS 29 HE3 LYS 29 4.767 8.537 -10.235 239 HZ1 LYS 29 HZ1 LYS 29 4.619 6.474 -11.552 240 HZ2 LYS 29 HZ2 LYS 29 5.761 7.050 -12.583 241 HZ3 LYS 29 HZ3 LYS 29 6.138 6.783 -11.003 242 H THR 30 H THR 30 1.478 9.173 -11.825 243 HA THR 30 HA THR 30 -0.995 10.820 -12.105 244 HB THR 30 HB THR 30 -0.118 9.044 -9.803 245 HG1 THR 30 HG1 THR 30 -1.817 7.755 -10.569 246 HG21 THR 30 HG21 THR 30 -2.702 10.576 -10.367 247 HG22 THR 30 HG22 THR 30 -2.459 9.422 -9.035 248 HG23 THR 30 HG23 THR 30 -1.529 10.934 -9.077 249 HA PRO 31 HA PRO 31 2.149 13.715 -10.354 250 HB2 PRO 31 HB2 PRO 31 1.079 15.996 -11.431 251 HB3 PRO 31 HB3 PRO 31 2.169 14.902 -12.348 252 HG2 PRO 31 HG2 PRO 31 -0.865 14.945 -12.382 253 HG3 PRO 31 HG3 PRO 31 0.252 14.945 -13.786 254 HD2 PRO 31 HD2 PRO 31 -0.875 12.654 -12.891 255 HD3 PRO 31 HD3 PRO 31 0.832 12.669 -13.429 256 H VAL 32 H VAL 32 1.780 15.404 -8.707 257 HA VAL 32 HA VAL 32 -0.962 15.201 -7.536 258 HB VAL 32 HB VAL 32 0.067 15.145 -5.325 259 HG11 VAL 32 HG11 VAL 32 -0.461 13.048 -6.630 260 HG12 VAL 32 HG12 VAL 32 1.264 12.977 -7.093 261 HG13 VAL 32 HG13 VAL 32 0.782 12.862 -5.385 262 HG21 VAL 32 HG21 VAL 32 2.503 14.718 -5.099 263 HG22 VAL 32 HG22 VAL 32 2.711 14.943 -6.842 264 HG23 VAL 32 HG23 VAL 32 2.196 16.310 -5.821 265 H GLY 33 H GLY 33 1.622 17.354 -8.500 266 HA2 GLY 33 HA2 GLY 33 0.074 19.625 -8.419 267 HA3 GLY 33 HA3 GLY 33 0.768 19.549 -6.797 268 H THR 34 H THR 34 1.361 21.707 -8.166 269 HA THR 34 HA THR 34 4.253 21.381 -8.728 270 HB THR 34 HB THR 34 2.344 23.104 -10.357 271 HG1 THR 34 HG1 THR 34 2.872 21.639 -11.998 272 HG21 THR 34 HG21 THR 34 5.337 22.561 -10.617 273 HG22 THR 34 HG22 THR 34 4.347 23.480 -11.779 274 HG23 THR 34 HG23 THR 34 4.590 24.102 -10.140 275 H VAL 35 H VAL 35 5.492 23.014 -7.827 276 HA VAL 35 HA VAL 35 4.092 25.295 -6.547 277 HB VAL 35 HB VAL 35 5.378 24.917 -4.466 278 HG11 VAL 35 HG11 VAL 35 3.052 24.076 -4.672 279 HG12 VAL 35 HG12 VAL 35 3.678 22.512 -5.243 280 HG13 VAL 35 HG13 VAL 35 4.045 23.068 -3.595 281 HG21 VAL 35 HG21 VAL 35 6.114 22.256 -5.755 282 HG22 VAL 35 HG22 VAL 35 7.237 23.586 -5.389 283 HG23 VAL 35 HG23 VAL 35 6.430 22.714 -4.067 284 H ASP 36 H ASP 36 5.595 26.998 -5.827 285 HA ASP 36 HA ASP 36 8.116 27.020 -7.398 286 HB2 ASP 36 HB2 ASP 36 7.641 29.233 -8.221 287 HB3 ASP 36 HB3 ASP 36 6.300 28.166 -8.651 288 H THR 37 H THR 37 6.984 27.023 -4.372 289 HA THR 37 HA THR 37 9.188 28.775 -3.422 290 HB THR 37 HB THR 37 7.771 29.574 -1.583 291 HG1 THR 37 HG1 THR 37 5.518 29.191 -1.747 292 HG21 THR 37 HG21 THR 37 7.908 30.910 -3.689 293 HG22 THR 37 HG22 THR 37 6.453 30.084 -4.285 294 HG23 THR 37 HG23 THR 37 6.359 31.123 -2.842 295 H VAL 38 H VAL 38 9.990 28.180 -1.301 296 HA VAL 38 HA VAL 38 10.031 25.311 -0.926 297 HB VAL 38 HB VAL 38 11.128 27.572 0.794 298 HG11 VAL 38 HG11 VAL 38 12.644 25.814 1.675 299 HG12 VAL 38 HG12 VAL 38 10.951 25.465 2.062 300 HG13 VAL 38 HG13 VAL 38 11.765 24.587 0.742 301 HG21 VAL 38 HG21 VAL 38 12.076 27.574 -1.491 302 HG22 VAL 38 HG22 VAL 38 13.277 27.005 -0.322 303 HG23 VAL 38 HG23 VAL 38 12.427 25.834 -1.354 304 H ALA 39 H ALA 39 8.242 28.035 0.498 305 HA ALA 39 HA ALA 39 7.336 26.558 2.808 306 HB1 ALA 39 HB1 ALA 39 6.208 29.019 1.411 307 HB2 ALA 39 HB2 ALA 39 5.764 28.446 3.037 308 HB3 ALA 39 HB3 ALA 39 7.413 29.026 2.721 309 H GLY 40 H GLY 40 6.210 26.938 -0.547 310 HA2 GLY 40 HA2 GLY 40 3.650 25.631 -0.042 311 HA3 GLY 40 HA3 GLY 40 4.349 26.087 -1.609 312 H ALA 41 H ALA 41 6.948 24.656 -0.875 313 HA ALA 41 HA ALA 41 6.185 22.086 -1.978 314 HB1 ALA 41 HB1 ALA 41 8.847 23.104 -0.909 315 HB2 ALA 41 HB2 ALA 41 8.601 21.640 -1.891 316 HB3 ALA 41 HB3 ALA 41 8.278 23.243 -2.589 317 H LEU 42 H LEU 42 7.114 23.301 1.271 318 HA LEU 42 HA LEU 42 7.101 20.568 2.351 319 HB2 LEU 42 HB2 LEU 42 7.613 23.343 3.425 320 HB3 LEU 42 HB3 LEU 42 7.219 22.047 4.552 321 HG LEU 42 HG LEU 42 9.658 22.388 4.272 322 HD11 LEU 42 HD11 LEU 42 8.723 20.204 4.984 323 HD12 LEU 42 HD12 LEU 42 8.681 19.674 3.286 324 HD13 LEU 42 HD13 LEU 42 10.231 20.021 4.070 325 HD21 LEU 42 HD21 LEU 42 10.804 21.614 2.257 326 HD22 LEU 42 HD22 LEU 42 9.255 21.249 1.478 327 HD23 LEU 42 HD23 LEU 42 9.699 22.938 1.845 328 H ALA 43 H ALA 43 4.800 23.205 1.917 329 HA ALA 43 HA ALA 43 2.899 22.152 3.845 330 HB1 ALA 43 HB1 ALA 43 2.568 24.057 1.489 331 HB2 ALA 43 HB2 ALA 43 1.356 23.759 2.757 332 HB3 ALA 43 HB3 ALA 43 2.908 24.512 3.177 333 H ARG 44 H ARG 44 3.771 21.469 0.525 334 HA ARG 44 HA ARG 44 1.297 20.030 -0.088 335 HB2 ARG 44 HB2 ARG 44 2.497 21.354 -1.769 336 HB3 ARG 44 HB3 ARG 44 3.951 20.395 -1.528 337 HG2 ARG 44 HG2 ARG 44 2.832 19.773 -3.580 338 HG3 ARG 44 HG3 ARG 44 2.805 18.406 -2.455 339 HD2 ARG 44 HD2 ARG 44 0.471 20.334 -2.675 340 HD3 ARG 44 HD3 ARG 44 0.671 18.987 -3.812 341 HE ARG 44 HE ARG 44 0.891 17.977 -1.162 342 HH11 ARG 44 HH11 ARG 44 -1.528 19.276 -3.390 343 HH12 ARG 44 HH12 ARG 44 -2.829 18.333 -2.698 344 HH21 ARG 44 HH21 ARG 44 -0.812 16.764 -0.293 345 HH22 ARG 44 HH22 ARG 44 -2.428 16.930 -0.927 346 H VAL 45 H VAL 45 4.594 19.327 1.041 347 HA VAL 45 HA VAL 45 4.252 16.437 0.722 348 HB VAL 45 HB VAL 45 6.427 18.206 1.890 349 HG11 VAL 45 HG11 VAL 45 6.352 15.167 1.631 350 HG12 VAL 45 HG12 VAL 45 7.809 16.128 1.964 351 HG13 VAL 45 HG13 VAL 45 6.492 16.104 3.144 352 HG21 VAL 45 HG21 VAL 45 7.665 17.406 -0.087 353 HG22 VAL 45 HG22 VAL 45 6.289 16.377 -0.552 354 HG23 VAL 45 HG23 VAL 45 6.132 18.145 -0.596 355 H GLU 46 H GLU 46 3.658 18.834 3.249 356 HA GLU 46 HA GLU 46 3.826 16.970 5.438 357 HB2 GLU 46 HB2 GLU 46 4.117 19.396 5.684 358 HB3 GLU 46 HB3 GLU 46 2.442 19.665 5.175 359 HG2 GLU 46 HG2 GLU 46 2.733 19.804 7.630 360 HG3 GLU 46 HG3 GLU 46 1.618 18.518 7.175 361 H ASP 47 H ASP 47 1.415 17.566 3.003 362 HA ASP 47 HA ASP 47 -0.785 16.479 4.590 363 HB2 ASP 47 HB2 ASP 47 -1.082 18.214 2.830 364 HB3 ASP 47 HB3 ASP 47 -0.571 17.041 1.612 365 H GLY 48 H GLY 48 1.886 15.179 2.906 366 HA2 GLY 48 HA2 GLY 48 2.494 12.989 2.533 367 HA3 GLY 48 HA3 GLY 48 0.966 12.467 3.259 368 H GLY 49 H GLY 49 1.234 10.844 1.423 369 HA2 GLY 49 HA2 GLY 49 0.137 10.018 -0.425 370 HA3 GLY 49 HA3 GLY 49 -0.564 11.620 -0.728 371 H ILE 50 H ILE 50 2.878 11.643 -0.335 372 HA ILE 50 HA ILE 50 3.249 11.644 -3.293 373 HB ILE 50 HB ILE 50 4.635 13.473 -1.297 374 HG12 ILE 50 HG12 ILE 50 2.290 13.927 -3.176 375 HG13 ILE 50 HG13 ILE 50 2.289 14.062 -1.412 376 HG21 ILE 50 HG21 ILE 50 5.951 12.922 -3.337 377 HG22 ILE 50 HG22 ILE 50 4.584 13.435 -4.351 378 HG23 ILE 50 HG23 ILE 50 5.444 14.612 -3.330 379 HD11 ILE 50 HD11 ILE 50 3.915 15.960 -1.586 380 HD12 ILE 50 HD12 ILE 50 3.754 15.886 -3.357 381 HD13 ILE 50 HD13 ILE 50 2.341 16.278 -2.359 382 H ASP 51 H ASP 51 5.246 10.832 -4.056 383 HA ASP 51 HA ASP 51 6.727 9.165 -2.058 384 HB2 ASP 51 HB2 ASP 51 5.537 8.457 -4.748 385 HB3 ASP 51 HB3 ASP 51 6.888 7.547 -4.058 386 H ALA 52 H ALA 52 6.929 11.429 -4.705 387 HA ALA 52 HA ALA 52 9.829 11.517 -4.411 388 HB1 ALA 52 HB1 ALA 52 9.657 9.671 -6.006 389 HB2 ALA 52 HB2 ALA 52 8.542 10.608 -7.015 390 HB3 ALA 52 HB3 ALA 52 10.239 11.123 -6.847 391 H ALA 53 H ALA 53 10.753 13.306 -5.809 392 HA ALA 53 HA ALA 53 8.784 15.180 -6.920 393 HB1 ALA 53 HB1 ALA 53 10.607 15.932 -4.594 394 HB2 ALA 53 HB2 ALA 53 9.562 17.045 -5.508 395 HB3 ALA 53 HB3 ALA 53 8.839 15.762 -4.515 396 H ILE 54 H ILE 54 9.871 17.066 -7.955 397 HA ILE 54 HA ILE 54 12.672 16.479 -8.792 398 HB ILE 54 HB ILE 54 10.347 17.413 -10.524 399 HG12 ILE 54 HG12 ILE 54 11.992 14.847 -10.554 400 HG13 ILE 54 HG13 ILE 54 10.312 14.994 -9.993 401 HG21 ILE 54 HG21 ILE 54 11.986 17.396 -12.370 402 HG22 ILE 54 HG22 ILE 54 12.488 18.523 -11.109 403 HG23 ILE 54 HG23 ILE 54 13.273 16.935 -11.226 404 HD11 ILE 54 HD11 ILE 54 9.632 15.743 -12.266 405 HD12 ILE 54 HD12 ILE 54 11.296 15.454 -12.832 406 HD13 ILE 54 HD13 ILE 54 10.313 14.100 -12.245 407 H LEU 55 H LEU 55 14.027 18.211 -8.710 408 HA LEU 55 HA LEU 55 12.826 20.779 -7.760 409 HB2 LEU 55 HB2 LEU 55 15.336 19.261 -7.022 410 HB3 LEU 55 HB3 LEU 55 15.246 21.001 -6.785 411 HG LEU 55 HG LEU 55 14.745 19.710 -4.749 412 HD11 LEU 55 HD11 LEU 55 12.403 21.360 -5.778 413 HD12 LEU 55 HD12 LEU 55 12.794 21.019 -4.081 414 HD13 LEU 55 HD13 LEU 55 13.900 22.003 -5.071 415 HD21 LEU 55 HD21 LEU 55 12.663 18.550 -4.439 416 HD22 LEU 55 HD22 LEU 55 12.111 18.968 -6.068 417 HD23 LEU 55 HD23 LEU 55 13.472 17.833 -5.856 418 H ASP 56 H ASP 56 13.146 22.547 -8.937 419 HA ASP 56 HA ASP 56 15.022 22.537 -11.189 420 HB2 ASP 56 HB2 ASP 56 12.766 23.520 -11.339 421 HB3 ASP 56 HB3 ASP 56 13.177 24.665 -10.045 422 H VAL 57 H VAL 57 16.966 23.640 -11.254 423 HA VAL 57 HA VAL 57 18.076 24.384 -8.634 424 HB VAL 57 HB VAL 57 19.380 24.114 -11.373 425 HG11 VAL 57 HG11 VAL 57 21.477 23.921 -10.020 426 HG12 VAL 57 HG12 VAL 57 20.743 25.528 -9.889 427 HG13 VAL 57 HG13 VAL 57 20.545 24.352 -8.566 428 HG21 VAL 57 HG21 VAL 57 18.447 21.986 -10.578 429 HG22 VAL 57 HG22 VAL 57 20.216 21.966 -10.427 430 HG23 VAL 57 HG23 VAL 57 19.198 22.227 -8.987 431 H ASN 58 H ASN 58 16.548 25.955 -11.269 432 HA ASN 58 HA ASN 58 17.985 28.450 -11.148 433 HB2 ASN 58 HB2 ASN 58 16.580 27.684 -13.068 434 HB3 ASN 58 HB3 ASN 58 15.138 27.872 -12.062 435 HD21 ASN 58 HD21 ASN 58 15.076 31.000 -13.843 436 HD22 ASN 58 HD22 ASN 58 14.579 29.322 -13.958 437 H LEU 59 H LEU 59 17.699 30.190 -9.804 438 HA LEU 59 HA LEU 59 15.371 30.371 -8.053 439 HB2 LEU 59 HB2 LEU 59 16.908 28.747 -6.918 440 HB3 LEU 59 HB3 LEU 59 18.177 29.976 -6.928 441 HG LEU 59 HG LEU 59 16.783 31.437 -5.485 442 HD11 LEU 59 HD11 LEU 59 14.845 29.077 -5.497 443 HD12 LEU 59 HD12 LEU 59 14.738 30.496 -4.432 444 HD13 LEU 59 HD13 LEU 59 14.528 30.693 -6.177 445 HD21 LEU 59 HD21 LEU 59 16.930 30.046 -3.456 446 HD22 LEU 59 HD22 LEU 59 17.096 28.585 -4.461 447 HD23 LEU 59 HD23 LEU 59 18.364 29.830 -4.489 448 H ARG 60 H ARG 60 15.203 32.433 -7.033 449 HA ARG 60 HA ARG 60 16.508 34.574 -8.472 450 HB2 ARG 60 HB2 ARG 60 15.113 36.037 -7.115 451 HB3 ARG 60 HB3 ARG 60 14.156 34.717 -7.811 452 HG2 ARG 60 HG2 ARG 60 14.293 33.493 -5.643 453 HG3 ARG 60 HG3 ARG 60 15.214 34.839 -4.943 454 HD2 ARG 60 HD2 ARG 60 12.393 35.008 -6.080 455 HD3 ARG 60 HD3 ARG 60 12.805 34.949 -4.364 456 HE ARG 60 HE ARG 60 13.046 37.235 -6.180 457 HH11 ARG 60 HH11 ARG 60 14.055 35.845 -3.091 458 HH12 ARG 60 HH12 ARG 60 14.483 37.392 -2.399 459 HH21 ARG 60 HH21 ARG 60 13.608 39.241 -5.256 460 HH22 ARG 60 HH22 ARG 60 14.239 39.310 -3.629 461 H GLY 61 H GLY 61 17.774 36.273 -7.581 462 HA2 GLY 61 HA2 GLY 61 19.230 37.271 -6.062 463 HA3 GLY 61 HA3 GLY 61 18.951 35.951 -4.919 464 H GLY 62 H GLY 62 21.398 36.376 -4.765 465 HA2 GLY 62 HA2 GLY 62 23.074 35.448 -6.937 466 HA3 GLY 62 HA3 GLY 62 23.588 35.925 -5.306 467 H GLU 63 H GLU 63 21.146 33.670 -4.874 468 HA GLU 63 HA GLU 63 22.977 31.651 -3.971 469 HB2 GLU 63 HB2 GLU 63 19.969 31.731 -4.347 470 HB3 GLU 63 HB3 GLU 63 20.828 30.312 -3.728 471 HG2 GLU 63 HG2 GLU 63 19.997 31.622 -1.864 472 HG3 GLU 63 HG3 GLU 63 21.764 31.630 -1.880 473 H LYS 64 H LYS 64 23.249 29.510 -4.723 474 HA LYS 64 HA LYS 64 22.445 28.922 -7.499 475 HB2 LYS 64 HB2 LYS 64 24.665 30.205 -7.431 476 HB3 LYS 64 HB3 LYS 64 25.358 28.772 -6.652 477 HG2 LYS 64 HG2 LYS 64 24.749 27.411 -8.643 478 HG3 LYS 64 HG3 LYS 64 23.938 28.816 -9.359 479 HD2 LYS 64 HD2 LYS 64 26.159 28.501 -10.347 480 HD3 LYS 64 HD3 LYS 64 26.084 30.027 -9.452 481 HE2 LYS 64 HE2 LYS 64 27.225 28.986 -7.533 482 HE3 LYS 64 HE3 LYS 64 27.225 27.419 -8.366 483 HZ1 LYS 64 HZ1 LYS 64 28.590 29.843 -9.329 484 HZ2 LYS 64 HZ2 LYS 64 29.325 28.574 -8.580 485 HZ3 LYS 64 HZ3 LYS 64 28.619 28.363 -10.046 486 H SER 65 H SER 65 21.962 27.930 -4.643 487 HA SER 65 HA SER 65 22.582 25.075 -5.178 488 HB2 SER 65 HB2 SER 65 23.156 24.780 -2.800 489 HB3 SER 65 HB3 SER 65 24.269 25.902 -3.615 490 HG SER 65 HG SER 65 23.546 26.698 -1.589 491 H THR 66 H THR 66 21.248 23.598 -3.863 492 HA THR 66 HA THR 66 18.643 24.751 -3.033 493 HB THR 66 HB THR 66 18.914 22.330 -4.858 494 HG1 THR 66 HG1 THR 66 19.475 24.249 -5.933 495 HG21 THR 66 HG21 THR 66 16.532 24.024 -3.973 496 HG22 THR 66 HG22 THR 66 16.475 22.701 -5.165 497 HG23 THR 66 HG23 THR 66 16.865 22.348 -3.472 498 HA PRO 67 HA PRO 67 20.604 21.603 -0.186 499 HB2 PRO 67 HB2 PRO 67 20.604 23.073 2.119 500 HB3 PRO 67 HB3 PRO 67 21.864 23.268 0.858 501 HG2 PRO 67 HG2 PRO 67 19.339 24.911 1.222 502 HG3 PRO 67 HG3 PRO 67 21.032 25.506 1.068 503 HD2 PRO 67 HD2 PRO 67 19.372 25.393 -1.080 504 HD3 PRO 67 HD3 PRO 67 21.096 24.935 -1.241 505 H VAL 68 H VAL 68 17.605 23.319 -0.370 506 HA VAL 68 HA VAL 68 16.324 22.099 1.913 507 HB VAL 68 HB VAL 68 14.243 22.939 0.875 508 HG11 VAL 68 HG11 VAL 68 16.544 24.940 0.797 509 HG12 VAL 68 HG12 VAL 68 14.825 25.331 0.958 510 HG13 VAL 68 HG13 VAL 68 15.651 24.431 2.252 511 HG21 VAL 68 HG21 VAL 68 14.808 22.558 -1.501 512 HG22 VAL 68 HG22 VAL 68 14.340 24.246 -1.212 513 HG23 VAL 68 HG23 VAL 68 16.053 23.832 -1.410 514 H ALA 69 H ALA 69 17.276 20.888 -1.162 515 HA ALA 69 HA ALA 69 15.157 18.976 -1.518 516 HB1 ALA 69 HB1 ALA 69 16.708 19.734 -3.313 517 HB2 ALA 69 HB2 ALA 69 18.047 18.903 -2.484 518 HB3 ALA 69 HB3 ALA 69 16.684 17.967 -3.132 519 H GLU 70 H GLU 70 18.022 19.135 0.530 520 HA GLU 70 HA GLU 70 17.994 16.257 1.049 521 HB2 GLU 70 HB2 GLU 70 19.581 18.510 2.338 522 HB3 GLU 70 HB3 GLU 70 19.778 16.778 2.669 523 HG2 GLU 70 HG2 GLU 70 20.129 16.451 0.169 524 HG3 GLU 70 HG3 GLU 70 20.240 18.214 0.026 525 H ALA 71 H ALA 71 16.361 19.079 2.276 526 HA ALA 71 HA ALA 71 15.656 17.879 4.832 527 HB1 ALA 71 HB1 ALA 71 14.306 20.092 3.227 528 HB2 ALA 71 HB2 ALA 71 14.005 19.699 4.935 529 HB3 ALA 71 HB3 ALA 71 15.592 20.321 4.435 530 H LEU 72 H LEU 72 14.399 17.852 1.499 531 HA LEU 72 HA LEU 72 12.001 16.358 2.188 532 HB2 LEU 72 HB2 LEU 72 13.490 16.679 -0.458 533 HB3 LEU 72 HB3 LEU 72 11.879 15.979 -0.263 534 HG LEU 72 HG LEU 72 12.643 18.846 0.429 535 HD11 LEU 72 HD11 LEU 72 11.245 19.408 -1.521 536 HD12 LEU 72 HD12 LEU 72 12.609 18.373 -2.005 537 HD13 LEU 72 HD13 LEU 72 10.977 17.682 -1.848 538 HD21 LEU 72 HD21 LEU 72 10.813 18.051 1.867 539 HD22 LEU 72 HD22 LEU 72 10.181 19.158 0.636 540 HD23 LEU 72 HD23 LEU 72 9.957 17.405 0.446 541 H ALA 73 H ALA 73 15.386 15.581 1.515 542 HA ALA 73 HA ALA 73 14.915 12.741 1.175 543 HB1 ALA 73 HB1 ALA 73 16.887 13.918 0.242 544 HB2 ALA 73 HB2 ALA 73 17.451 14.270 1.890 545 HB3 ALA 73 HB3 ALA 73 17.359 12.588 1.321 546 H ALA 74 H ALA 74 15.337 14.942 3.906 547 HA ALA 74 HA ALA 74 15.713 12.809 5.853 548 HB1 ALA 74 HB1 ALA 74 14.923 15.730 6.172 549 HB2 ALA 74 HB2 ALA 74 15.424 14.632 7.483 550 HB3 ALA 74 HB3 ALA 74 16.583 15.086 6.215 551 H ARG 75 H ARG 75 13.075 14.225 4.122 552 HA ARG 75 HA ARG 75 11.064 13.094 5.943 553 HB2 ARG 75 HB2 ARG 75 10.833 15.358 4.832 554 HB3 ARG 75 HB3 ARG 75 10.680 14.529 3.282 555 HG2 ARG 75 HG2 ARG 75 8.498 15.191 4.247 556 HG3 ARG 75 HG3 ARG 75 8.605 13.443 4.030 557 HD2 ARG 75 HD2 ARG 75 9.114 13.147 6.422 558 HD3 ARG 75 HD3 ARG 75 9.132 14.900 6.661 559 HE ARG 75 HE ARG 75 6.779 13.156 6.194 560 HH11 ARG 75 HH11 ARG 75 8.017 16.443 6.722 561 HH12 ARG 75 HH12 ARG 75 6.433 17.061 7.156 562 HH21 ARG 75 HH21 ARG 75 4.750 14.044 6.772 563 HH22 ARG 75 HH22 ARG 75 4.646 15.739 7.209 564 H ASP 76 H ASP 76 13.155 11.643 4.143 565 HA ASP 76 HA ASP 76 13.331 9.723 3.019 566 HB2 ASP 76 HB2 ASP 76 10.574 9.110 4.124 567 HB3 ASP 76 HB3 ASP 76 11.721 7.939 3.464 568 H ILE 77 H ILE 77 12.255 12.023 1.521 569 HA ILE 77 HA ILE 77 10.921 10.474 -0.649 570 HB ILE 77 HB ILE 77 10.783 13.439 -0.023 571 HG12 ILE 77 HG12 ILE 77 8.705 11.205 0.037 572 HG13 ILE 77 HG13 ILE 77 9.419 12.003 1.454 573 HG21 ILE 77 HG21 ILE 77 10.839 12.976 -2.474 574 HG22 ILE 77 HG22 ILE 77 9.483 11.840 -2.269 575 HG23 ILE 77 HG23 ILE 77 9.268 13.582 -1.955 576 HD11 ILE 77 HD11 ILE 77 7.636 13.300 -0.646 577 HD12 ILE 77 HD12 ILE 77 7.236 12.952 1.048 578 HD13 ILE 77 HD13 ILE 77 8.469 14.178 0.664 579 HA PRO 78 HA PRO 78 14.858 11.187 -2.675 580 HB2 PRO 78 HB2 PRO 78 14.387 9.842 -4.983 581 HB3 PRO 78 HB3 PRO 78 14.550 8.984 -3.409 582 HG2 PRO 78 HG2 PRO 78 11.988 9.843 -4.798 583 HG3 PRO 78 HG3 PRO 78 12.403 8.219 -4.158 584 HD2 PRO 78 HD2 PRO 78 10.953 10.020 -2.706 585 HD3 PRO 78 HD3 PRO 78 12.144 8.937 -1.919 586 H PHE 79 H PHE 79 15.648 12.288 -4.638 587 HA PHE 79 HA PHE 79 13.680 13.835 -6.180 588 HB2 PHE 79 HB2 PHE 79 14.581 15.979 -5.529 589 HB3 PHE 79 HB3 PHE 79 14.008 15.136 -4.090 590 HD1 PHE 79 HD1 PHE 79 16.923 16.516 -5.836 591 HD2 PHE 79 HD2 PHE 79 15.632 14.163 -2.470 592 HE1 PHE 79 HE1 PHE 79 19.131 16.842 -4.757 593 HE2 PHE 79 HE2 PHE 79 17.856 14.488 -1.406 594 HZ PHE 79 HZ PHE 79 19.573 15.851 -2.513 595 H VAL 80 H VAL 80 14.809 15.324 -7.737 596 HA VAL 80 HA VAL 80 17.581 14.625 -8.411 597 HB VAL 80 HB VAL 80 16.260 12.973 -9.655 598 HG11 VAL 80 HG11 VAL 80 14.639 13.647 -11.363 599 HG12 VAL 80 HG12 VAL 80 14.116 14.201 -9.761 600 HG13 VAL 80 HG13 VAL 80 14.837 15.352 -10.914 601 HG21 VAL 80 HG21 VAL 80 18.278 13.973 -10.724 602 HG22 VAL 80 HG22 VAL 80 17.056 13.454 -11.904 603 HG23 VAL 80 HG23 VAL 80 17.230 15.179 -11.517 604 H PHE 81 H PHE 81 18.645 16.304 -9.506 605 HA PHE 81 HA PHE 81 17.298 18.911 -9.355 606 HB2 PHE 81 HB2 PHE 81 20.120 18.068 -10.098 607 HB3 PHE 81 HB3 PHE 81 19.562 19.730 -10.077 608 HD1 PHE 81 HD1 PHE 81 21.705 17.919 -8.394 609 HD2 PHE 81 HD2 PHE 81 17.954 19.863 -7.581 610 HE1 PHE 81 HE1 PHE 81 22.375 18.222 -6.030 611 HE2 PHE 81 HE2 PHE 81 18.600 20.101 -5.202 612 HZ PHE 81 HZ PHE 81 20.822 19.308 -4.428 613 H ALA 82 H ALA 82 17.123 20.385 -11.104 614 HA ALA 82 HA ALA 82 17.537 19.265 -13.830 615 HB1 ALA 82 HB1 ALA 82 15.144 20.879 -12.860 616 HB2 ALA 82 HB2 ALA 82 15.449 20.382 -14.539 617 HB3 ALA 82 HB3 ALA 82 15.131 19.152 -13.300 618 H THR 83 H THR 83 18.944 20.515 -14.927 619 HA THR 83 HA THR 83 19.021 23.417 -14.487 620 HB THR 83 HB THR 83 20.354 22.438 -12.632 621 HG1 THR 83 HG1 THR 83 22.167 23.718 -13.052 622 HG21 THR 83 HG21 THR 83 22.480 21.329 -13.106 623 HG22 THR 83 HG22 THR 83 21.147 20.394 -13.822 624 HG23 THR 83 HG23 THR 83 22.175 21.413 -14.853 625 H GLY 84 H GLY 84 20.894 24.378 -15.820 626 HA2 GLY 84 HA2 GLY 84 21.966 22.841 -18.015 627 HA3 GLY 84 HA3 GLY 84 20.654 23.910 -18.530 628 H GLY 85 H GLY 85 23.788 23.859 -18.749 629 HA2 GLY 85 HA2 GLY 85 24.480 26.396 -19.244 630 HA3 GLY 85 HA3 GLY 85 24.511 26.409 -17.470 631 H SER 86 H SER 86 26.804 26.857 -17.607 632 HA SER 86 HA SER 86 28.596 24.840 -18.704 633 HB2 SER 86 HB2 SER 86 30.350 26.284 -17.807 634 HB3 SER 86 HB3 SER 86 29.151 27.247 -18.688 635 HG SER 86 HG SER 86 29.683 28.165 -16.663 636 H ASP 87 H ASP 87 30.469 24.140 -17.121 637 HA ASP 87 HA ASP 87 29.267 22.389 -15.196 638 HB2 ASP 87 HB2 ASP 87 32.172 23.120 -15.719 639 HB3 ASP 87 HB3 ASP 87 31.628 21.759 -14.729 640 H ASP 88 H ASP 88 29.995 25.689 -14.953 641 HA ASP 88 HA ASP 88 30.706 25.579 -12.095 642 HB2 ASP 88 HB2 ASP 88 31.886 27.115 -13.653 643 HB3 ASP 88 HB3 ASP 88 30.354 27.923 -13.996 644 H SER 89 H SER 89 27.864 25.546 -13.960 645 HA SER 89 HA SER 89 26.264 27.224 -12.212 646 HB2 SER 89 HB2 SER 89 25.489 25.231 -14.368 647 HB3 SER 89 HB3 SER 89 24.377 26.352 -13.555 648 HG SER 89 HG SER 89 25.127 27.230 -15.505 649 H VAL 90 H VAL 90 27.717 24.325 -11.638 650 HA VAL 90 HA VAL 90 25.674 23.579 -9.630 651 HB VAL 90 HB VAL 90 26.096 21.166 -10.167 652 HG11 VAL 90 HG11 VAL 90 24.778 22.775 -12.385 653 HG12 VAL 90 HG12 VAL 90 24.487 21.067 -11.986 654 HG13 VAL 90 HG13 VAL 90 24.023 22.341 -10.831 655 HG21 VAL 90 HG21 VAL 90 28.150 21.444 -11.530 656 HG22 VAL 90 HG22 VAL 90 26.880 20.563 -12.401 657 HG23 VAL 90 HG23 VAL 90 27.195 22.268 -12.786 658 H ASP 91 H ASP 91 26.477 22.383 -7.876 659 HA ASP 91 HA ASP 91 29.379 22.835 -7.370 660 HB2 ASP 91 HB2 ASP 91 27.715 24.168 -6.066 661 HB3 ASP 91 HB3 ASP 91 27.042 22.658 -5.437 662 H SER 92 H SER 92 30.075 21.273 -5.402 663 HA SER 92 HA SER 92 30.195 18.680 -6.532 664 HB2 SER 92 HB2 SER 92 30.736 19.590 -3.677 665 HB3 SER 92 HB3 SER 92 31.295 18.070 -4.415 666 HG SER 92 HG SER 92 32.873 19.726 -4.501 667 H ARG 93 H ARG 93 27.686 20.114 -4.523 668 HA ARG 93 HA ARG 93 26.764 17.543 -3.510 669 HB2 ARG 93 HB2 ARG 93 25.306 20.210 -3.669 670 HB3 ARG 93 HB3 ARG 93 24.808 18.789 -2.738 671 HG2 ARG 93 HG2 ARG 93 27.195 20.592 -2.272 672 HG3 ARG 93 HG3 ARG 93 25.842 20.277 -1.192 673 HD2 ARG 93 HD2 ARG 93 28.184 18.474 -1.885 674 HD3 ARG 93 HD3 ARG 93 27.698 19.069 -0.297 675 HE ARG 93 HE ARG 93 26.891 16.642 -1.516 676 HH11 ARG 93 HH11 ARG 93 25.432 19.282 0.344 677 HH12 ARG 93 HH12 ARG 93 24.146 18.268 0.956 678 HH21 ARG 93 HH21 ARG 93 25.258 15.363 -0.660 679 HH22 ARG 93 HH22 ARG 93 24.054 16.067 0.403 680 H PHE 94 H PHE 94 26.368 19.309 -6.482 681 HA PHE 94 HA PHE 94 24.044 17.717 -7.334 682 HB2 PHE 94 HB2 PHE 94 25.937 19.515 -8.881 683 HB3 PHE 94 HB3 PHE 94 24.410 18.869 -9.481 684 HD1 PHE 94 HD1 PHE 94 22.433 20.115 -9.236 685 HD2 PHE 94 HD2 PHE 94 25.836 21.029 -6.779 686 HE1 PHE 94 HE1 PHE 94 21.247 22.093 -8.319 687 HE2 PHE 94 HE2 PHE 94 24.656 23.025 -5.880 688 HZ PHE 94 HZ PHE 94 22.358 23.554 -6.665 689 H ARG 95 H ARG 95 27.512 17.560 -7.250 690 HA ARG 95 HA ARG 95 27.647 15.312 -9.143 691 HB2 ARG 95 HB2 ARG 95 29.760 16.610 -7.374 692 HB3 ARG 95 HB3 ARG 95 30.055 15.403 -8.640 693 HG2 ARG 95 HG2 ARG 95 29.096 16.929 -10.336 694 HG3 ARG 95 HG3 ARG 95 28.810 18.161 -9.090 695 HD2 ARG 95 HD2 ARG 95 31.184 18.396 -8.679 696 HD3 ARG 95 HD3 ARG 95 31.556 16.994 -9.691 697 HE ARG 95 HE ARG 95 31.367 18.276 -11.593 698 HH11 ARG 95 HH11 ARG 95 30.039 20.122 -8.883 699 HH12 ARG 95 HH12 ARG 95 29.927 21.606 -9.804 700 HH21 ARG 95 HH21 ARG 95 31.235 20.218 -12.749 701 HH22 ARG 95 HH22 ARG 95 30.585 21.651 -11.997 702 H ASP 96 H ASP 96 26.697 15.773 -5.979 703 HA ASP 96 HA ASP 96 27.419 13.001 -5.160 704 HB2 ASP 96 HB2 ASP 96 28.230 14.808 -3.698 705 HB3 ASP 96 HB3 ASP 96 26.586 15.446 -3.561 706 H ARG 97 H ARG 97 24.850 14.935 -6.340 707 HA ARG 97 HA ARG 97 22.848 12.909 -5.440 708 HB2 ARG 97 HB2 ARG 97 22.501 15.910 -5.834 709 HB3 ARG 97 HB3 ARG 97 21.179 14.778 -5.513 710 HG2 ARG 97 HG2 ARG 97 23.513 15.311 -3.627 711 HG3 ARG 97 HG3 ARG 97 21.889 15.994 -3.488 712 HD2 ARG 97 HD2 ARG 97 20.959 13.665 -3.362 713 HD3 ARG 97 HD3 ARG 97 22.618 13.046 -3.322 714 HE ARG 97 HE ARG 97 22.305 15.042 -1.300 715 HH11 ARG 97 HH11 ARG 97 21.310 11.730 -2.051 716 HH12 ARG 97 HH12 ARG 97 21.142 11.281 -0.369 717 HH21 ARG 97 HH21 ARG 97 22.060 14.436 0.870 718 HH22 ARG 97 HH22 ARG 97 21.557 12.813 1.284 719 HA PRO 98 HA PRO 98 21.804 12.280 -9.663 720 HB2 PRO 98 HB2 PRO 98 18.933 12.827 -8.958 721 HB3 PRO 98 HB3 PRO 98 19.634 11.408 -9.806 722 HG2 PRO 98 HG2 PRO 98 18.895 11.202 -7.214 723 HG3 PRO 98 HG3 PRO 98 20.473 10.512 -7.749 724 HD2 PRO 98 HD2 PRO 98 19.957 13.196 -6.424 725 HD3 PRO 98 HD3 PRO 98 21.169 11.944 -5.995 726 H VAL 99 H VAL 99 21.384 13.390 -11.613 727 HA VAL 99 HA VAL 99 20.338 16.159 -11.461 728 HB VAL 99 HB VAL 99 23.038 15.351 -12.619 729 HG11 VAL 99 HG11 VAL 99 22.012 16.971 -14.127 730 HG12 VAL 99 HG12 VAL 99 21.555 18.008 -12.749 731 HG13 VAL 99 HG13 VAL 99 23.265 17.773 -13.172 732 HG21 VAL 99 HG21 VAL 99 22.262 17.327 -10.429 733 HG22 VAL 99 HG22 VAL 99 23.062 15.755 -10.172 734 HG23 VAL 99 HG23 VAL 99 23.906 17.051 -11.043 735 H LEU 100 H LEU 100 19.531 16.959 -13.408 736 HA LEU 100 HA LEU 100 19.572 15.244 -15.797 737 HB2 LEU 100 HB2 LEU 100 17.598 14.571 -14.401 738 HB3 LEU 100 HB3 LEU 100 17.019 16.242 -14.457 739 HG LEU 100 HG LEU 100 16.787 16.077 -16.923 740 HD11 LEU 100 HD11 LEU 100 17.611 13.170 -16.483 741 HD12 LEU 100 HD12 LEU 100 16.947 13.843 -17.991 742 HD13 LEU 100 HD13 LEU 100 18.530 14.385 -17.405 743 HD21 LEU 100 HD21 LEU 100 15.452 13.830 -15.359 744 HD22 LEU 100 HD22 LEU 100 14.901 15.516 -15.437 745 HD23 LEU 100 HD23 LEU 100 14.878 14.510 -16.902 746 H GLN 101 H GLN 101 18.968 16.483 -17.734 747 HA GLN 101 HA GLN 101 19.682 19.310 -17.431 748 HB2 GLN 101 HB2 GLN 101 19.862 19.308 -19.846 749 HB3 GLN 101 HB3 GLN 101 20.718 17.907 -19.176 750 HG2 GLN 101 HG2 GLN 101 18.798 16.446 -19.715 751 HG3 GLN 101 HG3 GLN 101 17.897 17.842 -20.325 752 HE21 GLN 101 HE21 GLN 101 19.096 16.431 -23.418 753 HE22 GLN 101 HE22 GLN 101 17.796 16.325 -22.246 754 H LYS 102 H LYS 102 18.396 21.023 -18.600 755 HA LYS 102 HA LYS 102 15.638 20.853 -17.764 756 HB2 LYS 102 HB2 LYS 102 17.283 22.945 -19.211 757 HB3 LYS 102 HB3 LYS 102 15.528 23.110 -18.995 758 HG2 LYS 102 HG2 LYS 102 15.777 22.849 -16.560 759 HG3 LYS 102 HG3 LYS 102 17.538 22.691 -16.744 760 HD2 LYS 102 HD2 LYS 102 17.669 24.957 -17.691 761 HD3 LYS 102 HD3 LYS 102 15.902 25.111 -17.633 762 HE2 LYS 102 HE2 LYS 102 17.713 24.722 -15.217 763 HE3 LYS 102 HE3 LYS 102 17.020 26.266 -15.741 764 HZ1 LYS 102 HZ1 LYS 102 15.718 25.206 -14.005 765 HZ2 LYS 102 HZ2 LYS 102 14.843 25.368 -15.384 766 HZ3 LYS 102 HZ3 LYS 102 15.461 23.900 -14.954 767 HA PRO 103 HA PRO 103 14.670 20.604 -22.480 768 HB2 PRO 103 HB2 PRO 103 17.072 19.092 -23.447 769 HB3 PRO 103 HB3 PRO 103 16.127 20.361 -24.285 770 HG2 PRO 103 HG2 PRO 103 18.569 20.924 -23.234 771 HG3 PRO 103 HG3 PRO 103 17.209 22.087 -23.047 772 HD2 PRO 103 HD2 PRO 103 18.191 20.016 -21.062 773 HD3 PRO 103 HD3 PRO 103 17.854 21.758 -20.795 774 H PHE 104 H PHE 104 13.153 19.002 -22.495 775 HA PHE 104 HA PHE 104 13.970 16.284 -21.563 776 HB2 PHE 104 HB2 PHE 104 11.414 17.858 -21.368 777 HB3 PHE 104 HB3 PHE 104 11.365 16.092 -21.437 778 HD1 PHE 104 HD1 PHE 104 14.045 18.005 -19.666 779 HD2 PHE 104 HD2 PHE 104 10.439 15.676 -19.316 780 HE1 PHE 104 HE1 PHE 104 14.409 17.794 -17.232 781 HE2 PHE 104 HE2 PHE 104 10.833 15.445 -16.887 782 HZ PHE 104 HZ PHE 104 12.813 16.500 -15.839 783 H THR 105 H THR 105 13.542 14.509 -22.724 784 HA THR 105 HA THR 105 11.952 14.564 -25.165 785 HB THR 105 HB THR 105 14.107 15.419 -25.992 786 HG1 THR 105 HG1 THR 105 14.358 13.815 -27.551 787 HG21 THR 105 HG21 THR 105 16.130 14.031 -25.924 788 HG22 THR 105 HG22 THR 105 15.603 14.407 -24.273 789 HG23 THR 105 HG23 THR 105 15.280 12.797 -24.971 790 H MET 106 H MET 106 11.884 12.245 -26.069 791 HA MET 106 HA MET 106 11.111 10.581 -23.904 792 HB2 MET 106 HB2 MET 106 11.616 9.934 -26.833 793 HB3 MET 106 HB3 MET 106 10.833 8.844 -25.665 794 HG2 MET 106 HG2 MET 106 9.119 10.558 -25.211 795 HG3 MET 106 HG3 MET 106 9.880 11.644 -26.380 796 HE1 MET 106 HE1 MET 106 6.821 10.903 -26.298 797 HE2 MET 106 HE2 MET 106 7.547 12.013 -27.484 798 HE3 MET 106 HE3 MET 106 6.479 10.698 -28.032 799 H ASP 107 H ASP 107 14.260 10.924 -25.477 800 HA ASP 107 HA ASP 107 15.217 8.368 -24.398 801 HB2 ASP 107 HB2 ASP 107 16.082 9.214 -26.522 802 HB3 ASP 107 HB3 ASP 107 16.648 10.695 -25.732 803 H GLY 108 H GLY 108 15.429 11.862 -23.571 804 HA2 GLY 108 HA2 GLY 108 17.363 11.436 -21.453 805 HA3 GLY 108 HA3 GLY 108 16.414 12.908 -21.774 806 H VAL 109 H VAL 109 13.845 11.362 -21.719 807 HA VAL 109 HA VAL 109 13.417 11.449 -18.831 808 HB VAL 109 HB VAL 109 11.599 10.927 -21.211 809 HG11 VAL 109 HG11 VAL 109 9.733 11.257 -19.603 810 HG12 VAL 109 HG12 VAL 109 10.654 9.788 -19.237 811 HG13 VAL 109 HG13 VAL 109 10.897 11.256 -18.258 812 HG21 VAL 109 HG21 VAL 109 10.750 13.181 -20.653 813 HG22 VAL 109 HG22 VAL 109 11.882 13.287 -19.290 814 HG23 VAL 109 HG23 VAL 109 12.500 13.245 -20.954 815 H ALA 110 H ALA 110 14.142 9.001 -21.259 816 HA ALA 110 HA ALA 110 13.044 6.791 -19.746 817 HB1 ALA 110 HB1 ALA 110 15.145 6.874 -21.949 818 HB2 ALA 110 HB2 ALA 110 14.314 5.418 -21.348 819 HB3 ALA 110 HB3 ALA 110 13.392 6.684 -22.184 820 H LYS 111 H LYS 111 16.164 8.519 -19.806 821 HA LYS 111 HA LYS 111 17.436 6.544 -18.052 822 HB2 LYS 111 HB2 LYS 111 18.227 9.220 -19.217 823 HB3 LYS 111 HB3 LYS 111 19.124 8.534 -17.854 824 HG2 LYS 111 HG2 LYS 111 20.223 7.920 -19.912 825 HG3 LYS 111 HG3 LYS 111 19.562 6.474 -19.135 826 HD2 LYS 111 HD2 LYS 111 17.655 6.481 -20.704 827 HD3 LYS 111 HD3 LYS 111 18.273 7.982 -21.443 828 HE2 LYS 111 HE2 LYS 111 20.336 6.825 -22.106 829 HE3 LYS 111 HE3 LYS 111 19.764 5.332 -21.341 830 HZ1 LYS 111 HZ1 LYS 111 19.359 5.338 -23.703 831 HZ2 LYS 111 HZ2 LYS 111 17.924 5.327 -22.893 832 HZ3 LYS 111 HZ3 LYS 111 18.460 6.702 -23.606 833 H ALA 112 H ALA 112 15.541 9.512 -17.714 834 HA ALA 112 HA ALA 112 16.151 9.830 -14.887 835 HB1 ALA 112 HB1 ALA 112 14.327 11.475 -14.969 836 HB2 ALA 112 HB2 ALA 112 15.433 11.699 -16.347 837 HB3 ALA 112 HB3 ALA 112 13.858 10.903 -16.585 838 H LEU 113 H LEU 113 13.885 7.973 -16.839 839 HA LEU 113 HA LEU 113 12.074 7.297 -14.695 840 HB2 LEU 113 HB2 LEU 113 11.515 7.222 -17.127 841 HB3 LEU 113 HB3 LEU 113 12.696 5.923 -17.345 842 HG LEU 113 HG LEU 113 11.361 4.496 -15.776 843 HD11 LEU 113 HD11 LEU 113 9.047 5.227 -15.231 844 HD12 LEU 113 HD12 LEU 113 10.242 6.314 -14.500 845 HD13 LEU 113 HD13 LEU 113 9.377 6.811 -15.971 846 HD21 LEU 113 HD21 LEU 113 11.037 4.375 -18.223 847 HD22 LEU 113 HD22 LEU 113 9.506 4.094 -17.356 848 HD23 LEU 113 HD23 LEU 113 9.819 5.665 -18.125 849 H ALA 114 H ALA 114 15.116 5.961 -15.986 850 HA ALA 114 HA ALA 114 14.950 3.574 -14.317 851 HB1 ALA 114 HB1 ALA 114 17.197 4.704 -16.028 852 HB2 ALA 114 HB2 ALA 114 17.151 3.086 -15.295 853 HB3 ALA 114 HB3 ALA 114 15.974 3.522 -16.554 854 H ALA 115 H ALA 115 16.033 6.858 -13.877 855 HA ALA 115 HA ALA 115 18.036 6.115 -11.866 856 HB1 ALA 115 HB1 ALA 115 17.021 8.824 -12.802 857 HB2 ALA 115 HB2 ALA 115 18.420 8.534 -11.744 858 HB3 ALA 115 HB3 ALA 115 18.447 7.966 -13.429 859 H LEU 116 H LEU 116 14.801 7.746 -11.876 860 HA LEU 116 HA LEU 116 14.985 7.861 -8.921 861 HB2 LEU 116 HB2 LEU 116 14.512 9.868 -10.419 862 HB3 LEU 116 HB3 LEU 116 12.912 9.181 -10.689 863 HG LEU 116 HG LEU 116 14.133 10.018 -8.020 864 HD11 LEU 116 HD11 LEU 116 11.834 11.173 -9.652 865 HD12 LEU 116 HD12 LEU 116 12.430 11.795 -8.101 866 HD13 LEU 116 HD13 LEU 116 13.466 11.869 -9.541 867 HD21 LEU 116 HD21 LEU 116 12.618 8.185 -7.553 868 HD22 LEU 116 HD22 LEU 116 11.833 9.695 -7.107 869 HD23 LEU 116 HD23 LEU 116 11.369 8.885 -8.624 870 H LEU 117 H LEU 117 12.513 7.005 -11.403 871 HA LEU 117 HA LEU 117 10.713 5.816 -9.550 872 HB2 LEU 117 HB2 LEU 117 11.022 5.513 -12.562 873 HB3 LEU 117 HB3 LEU 117 9.684 4.858 -11.628 874 HG LEU 117 HG LEU 117 8.959 6.856 -12.692 875 HD11 LEU 117 HD11 LEU 117 9.408 7.472 -9.752 876 HD12 LEU 117 HD12 LEU 117 8.118 8.101 -10.798 877 HD13 LEU 117 HD13 LEU 117 8.160 6.367 -10.380 878 HD21 LEU 117 HD21 LEU 117 11.019 8.462 -11.151 879 HD22 LEU 117 HD22 LEU 117 11.226 7.984 -12.862 880 HD23 LEU 117 HD23 LEU 117 9.878 9.040 -12.371 881 H VAL 118 H VAL 118 13.725 4.612 -10.467 882 HA VAL 118 HA VAL 118 12.883 1.849 -9.757 883 HB VAL 118 HB VAL 118 14.779 2.606 -12.015 884 HG11 VAL 118 HG11 VAL 118 14.878 0.154 -12.386 885 HG12 VAL 118 HG12 VAL 118 15.528 0.588 -10.798 886 HG13 VAL 118 HG13 VAL 118 13.891 -0.101 -10.928 887 HG21 VAL 118 HG21 VAL 118 12.398 2.853 -12.644 888 HG22 VAL 118 HG22 VAL 118 13.110 1.437 -13.438 889 HG23 VAL 118 HG23 VAL 118 12.062 1.219 -12.021 Start of MODEL 17 1 H1 MET 1 H1 NME 1 9.146 -3.935 -0.112 2 H2 MET 1 H2 NME 1 10.681 -3.533 0.319 3 H3 MET 1 H3 NME 1 10.414 -4.896 -0.556 4 HA MET 1 HA NME 1 11.309 -3.193 -1.942 5 HB2 MET 1 HB2 NME 1 9.650 -3.260 -3.720 6 HB3 MET 1 HB3 NME 1 9.773 -4.843 -2.938 7 HG2 MET 1 HG2 NME 1 7.769 -4.334 -1.578 8 HG3 MET 1 HG3 NME 1 7.620 -2.765 -2.374 9 HE1 MET 1 HE1 NME 1 6.917 -2.372 -4.825 10 HE2 MET 1 HE2 NME 1 8.272 -3.361 -5.407 11 HE3 MET 1 HE3 NME 1 6.625 -3.660 -6.014 12 H SER 2 H SER 2 10.828 -1.166 -3.156 13 HA SER 2 HA SER 2 8.968 0.696 -1.840 14 HB2 SER 2 HB2 SER 2 11.085 0.871 -0.543 15 HB3 SER 2 HB3 SER 2 11.963 1.238 -2.040 16 HG SER 2 HG SER 2 11.320 3.118 -0.892 17 H ALA 3 H ALA 3 8.573 2.593 -3.117 18 HA ALA 3 HA ALA 3 9.763 2.807 -5.786 19 HB1 ALA 3 HB1 ALA 3 8.025 1.059 -6.104 20 HB2 ALA 3 HB2 ALA 3 6.805 2.157 -5.406 21 HB3 ALA 3 HB3 ALA 3 7.595 2.563 -6.948 22 H LEU 4 H LEU 4 8.829 4.678 -6.973 23 HA LEU 4 HA LEU 4 7.505 6.672 -5.270 24 HB2 LEU 4 HB2 LEU 4 9.153 8.401 -5.866 25 HB3 LEU 4 HB3 LEU 4 9.778 7.175 -4.766 26 HG LEU 4 HG LEU 4 10.306 7.018 -7.753 27 HD11 LEU 4 HD11 LEU 4 12.437 8.203 -7.278 28 HD12 LEU 4 HD12 LEU 4 11.028 9.234 -6.968 29 HD13 LEU 4 HD13 LEU 4 11.900 8.486 -5.606 30 HD21 LEU 4 HD21 LEU 4 10.911 4.994 -6.493 31 HD22 LEU 4 HD22 LEU 4 12.378 5.869 -6.954 32 HD23 LEU 4 HD23 LEU 4 11.775 5.981 -5.286 33 H THR 5 H THR 5 5.952 5.653 -6.931 34 HA THR 5 HA THR 5 6.123 6.621 -9.646 35 HB THR 5 HB THR 5 3.539 6.002 -9.414 36 HG1 THR 5 HG1 THR 5 3.262 4.473 -7.781 37 HG21 THR 5 HG21 THR 5 5.140 4.764 -10.755 38 HG22 THR 5 HG22 THR 5 5.788 3.956 -9.298 39 HG23 THR 5 HG23 THR 5 4.116 3.648 -9.834 40 H GLN 6 H GLN 6 5.659 8.339 -6.816 41 HA GLN 6 HA GLN 6 3.865 10.247 -8.222 42 HB2 GLN 6 HB2 GLN 6 3.931 9.659 -5.227 43 HB3 GLN 6 HB3 GLN 6 2.824 10.736 -6.079 44 HG2 GLN 6 HG2 GLN 6 2.076 8.776 -7.495 45 HG3 GLN 6 HG3 GLN 6 3.076 7.717 -6.497 46 HE21 GLN 6 HE21 GLN 6 -0.278 7.258 -5.213 47 HE22 GLN 6 HE22 GLN 6 0.745 6.828 -6.569 48 H ILE 7 H ILE 7 4.914 11.982 -8.788 49 HA ILE 7 HA ILE 7 7.254 12.861 -7.159 50 HB ILE 7 HB ILE 7 6.846 13.065 -10.162 51 HG12 ILE 7 HG12 ILE 7 7.110 10.710 -9.624 52 HG13 ILE 7 HG13 ILE 7 8.600 11.332 -10.345 53 HG21 ILE 7 HG21 ILE 7 9.230 13.628 -8.357 54 HG22 ILE 7 HG22 ILE 7 9.277 13.620 -10.138 55 HG23 ILE 7 HG23 ILE 7 8.288 14.814 -9.290 56 HD11 ILE 7 HD11 ILE 7 9.110 9.874 -8.455 57 HD12 ILE 7 HD12 ILE 7 9.583 11.537 -8.058 58 HD13 ILE 7 HD13 ILE 7 8.073 10.846 -7.391 59 H LEU 8 H LEU 8 7.169 14.860 -6.373 60 HA LEU 8 HA LEU 8 5.108 16.745 -7.292 61 HB2 LEU 8 HB2 LEU 8 5.940 16.163 -4.846 62 HB3 LEU 8 HB3 LEU 8 7.208 17.333 -5.206 63 HG LEU 8 HG LEU 8 4.201 17.777 -5.120 64 HD11 LEU 8 HD11 LEU 8 5.426 17.664 -2.958 65 HD12 LEU 8 HD12 LEU 8 6.510 18.948 -3.514 66 HD13 LEU 8 HD13 LEU 8 4.782 19.293 -3.275 67 HD21 LEU 8 HD21 LEU 8 4.735 20.200 -5.475 68 HD22 LEU 8 HD22 LEU 8 6.387 19.732 -5.948 69 HD23 LEU 8 HD23 LEU 8 4.976 19.202 -6.909 70 H ILE 9 H ILE 9 5.567 18.548 -8.558 71 HA ILE 9 HA ILE 9 8.347 18.767 -9.583 72 HB ILE 9 HB ILE 9 5.717 19.807 -10.692 73 HG12 ILE 9 HG12 ILE 9 7.391 17.447 -11.653 74 HG13 ILE 9 HG13 ILE 9 5.933 17.290 -10.659 75 HG21 ILE 9 HG21 ILE 9 7.714 21.128 -11.376 76 HG22 ILE 9 HG22 ILE 9 8.505 19.624 -11.917 77 HG23 ILE 9 HG23 ILE 9 7.051 20.225 -12.742 78 HD11 ILE 9 HD11 ILE 9 6.018 18.593 -13.414 79 HD12 ILE 9 HD12 ILE 9 5.406 16.973 -13.042 80 HD13 ILE 9 HD13 ILE 9 4.584 18.403 -12.383 81 H VAL 10 H VAL 10 9.546 20.606 -9.240 82 HA VAL 10 HA VAL 10 8.125 22.991 -8.145 83 HB VAL 10 HB VAL 10 10.794 21.933 -7.155 84 HG11 VAL 10 HG11 VAL 10 8.948 24.151 -6.176 85 HG12 VAL 10 HG12 VAL 10 10.467 23.648 -5.399 86 HG13 VAL 10 HG13 VAL 10 10.500 24.379 -7.019 87 HG21 VAL 10 HG21 VAL 10 8.039 21.789 -5.861 88 HG22 VAL 10 HG22 VAL 10 9.020 20.414 -6.408 89 HG23 VAL 10 HG23 VAL 10 9.574 21.416 -5.048 90 H GLU 11 H GLU 11 8.283 24.419 -9.771 91 HA GLU 11 HA GLU 11 10.947 25.184 -10.770 92 HB2 GLU 11 HB2 GLU 11 8.672 24.289 -12.596 93 HB3 GLU 11 HB3 GLU 11 10.127 25.140 -13.122 94 HG2 GLU 11 HG2 GLU 11 11.510 23.263 -12.174 95 HG3 GLU 11 HG3 GLU 11 10.002 22.372 -11.872 96 H ASP 12 H ASP 12 10.832 27.235 -12.037 97 HA ASP 12 HA ASP 12 8.479 28.879 -11.217 98 HB2 ASP 12 HB2 ASP 12 10.619 29.504 -10.162 99 HB3 ASP 12 HB3 ASP 12 11.358 29.692 -11.759 100 H GLU 13 H GLU 13 10.164 27.489 -13.887 101 HA GLU 13 HA GLU 13 9.351 29.539 -15.802 102 HB2 GLU 13 HB2 GLU 13 10.622 26.794 -16.144 103 HB3 GLU 13 HB3 GLU 13 10.260 27.923 -17.461 104 HG2 GLU 13 HG2 GLU 13 12.573 28.176 -16.903 105 HG3 GLU 13 HG3 GLU 13 11.714 29.631 -16.401 106 HA PRO 14 HA PRO 14 5.356 27.635 -16.149 107 HB2 PRO 14 HB2 PRO 14 4.211 29.281 -17.967 108 HB3 PRO 14 HB3 PRO 14 4.690 29.881 -16.343 109 HG2 PRO 14 HG2 PRO 14 6.253 30.099 -18.934 110 HG3 PRO 14 HG3 PRO 14 5.868 31.405 -17.763 111 HD2 PRO 14 HD2 PRO 14 8.252 30.051 -17.715 112 HD3 PRO 14 HD3 PRO 14 7.447 30.617 -16.215 113 H LEU 15 H LEU 15 7.701 27.686 -18.726 114 HA LEU 15 HA LEU 15 5.884 26.255 -20.575 115 HB2 LEU 15 HB2 LEU 15 8.748 27.218 -20.904 116 HB3 LEU 15 HB3 LEU 15 7.754 26.486 -22.170 117 HG LEU 15 HG LEU 15 7.160 29.110 -20.733 118 HD11 LEU 15 HD11 LEU 15 8.065 28.494 -23.573 119 HD12 LEU 15 HD12 LEU 15 7.656 30.105 -22.937 120 HD13 LEU 15 HD13 LEU 15 9.059 29.231 -22.290 121 HD21 LEU 15 HD21 LEU 15 5.070 27.984 -21.403 122 HD22 LEU 15 HD22 LEU 15 5.398 29.360 -22.470 123 HD23 LEU 15 HD23 LEU 15 5.730 27.704 -23.030 124 H ILE 16 H ILE 16 8.841 25.645 -18.622 125 HA ILE 16 HA ILE 16 9.173 22.996 -19.785 126 HB ILE 16 HB ILE 16 10.437 24.407 -17.401 127 HG12 ILE 16 HG12 ILE 16 12.493 24.268 -18.781 128 HG13 ILE 16 HG13 ILE 16 11.585 23.533 -20.097 129 HG21 ILE 16 HG21 ILE 16 11.028 21.655 -18.568 130 HG22 ILE 16 HG22 ILE 16 12.031 22.496 -17.370 131 HG23 ILE 16 HG23 ILE 16 10.391 21.993 -16.940 132 HD11 ILE 16 HD11 ILE 16 11.041 26.317 -18.986 133 HD12 ILE 16 HD12 ILE 16 12.069 25.982 -20.390 134 HD13 ILE 16 HD13 ILE 16 10.345 25.594 -20.464 135 H ALA 17 H ALA 17 7.429 24.413 -17.059 136 HA ALA 17 HA ALA 17 7.013 21.953 -15.640 137 HB1 ALA 17 HB1 ALA 17 5.421 24.550 -15.684 138 HB2 ALA 17 HB2 ALA 17 5.277 23.262 -14.462 139 HB3 ALA 17 HB3 ALA 17 6.787 24.181 -14.610 140 H MET 18 H MET 18 5.524 23.378 -18.502 141 HA MET 18 HA MET 18 3.165 21.629 -18.329 142 HB2 MET 18 HB2 MET 18 4.171 23.558 -20.454 143 HB3 MET 18 HB3 MET 18 2.665 22.628 -20.576 144 HG2 MET 18 HG2 MET 18 1.847 23.655 -18.488 145 HG3 MET 18 HG3 MET 18 3.338 24.592 -18.358 146 HE1 MET 18 HE1 MET 18 0.683 27.322 -19.146 147 HE2 MET 18 HE2 MET 18 0.508 25.867 -18.136 148 HE3 MET 18 HE3 MET 18 2.011 26.817 -18.072 149 H MET 19 H MET 19 6.370 21.645 -19.862 150 HA MET 19 HA MET 19 5.738 19.388 -21.596 151 HB2 MET 19 HB2 MET 19 8.354 20.678 -20.730 152 HB3 MET 19 HB3 MET 19 8.234 19.345 -21.888 153 HG2 MET 19 HG2 MET 19 6.966 22.085 -22.182 154 HG3 MET 19 HG3 MET 19 8.394 21.499 -23.042 155 HE1 MET 19 HE1 MET 19 8.346 19.424 -24.716 156 HE2 MET 19 HE2 MET 19 7.368 18.399 -23.634 157 HE3 MET 19 HE3 MET 19 6.851 18.659 -25.310 158 H LEU 20 H LEU 20 6.911 19.848 -18.281 159 HA LEU 20 HA LEU 20 7.784 17.084 -18.020 160 HB2 LEU 20 HB2 LEU 20 8.842 18.875 -16.758 161 HB3 LEU 20 HB3 LEU 20 7.307 19.339 -16.042 162 HG LEU 20 HG LEU 20 7.164 17.349 -14.750 163 HD11 LEU 20 HD11 LEU 20 8.720 15.559 -14.684 164 HD12 LEU 20 HD12 LEU 20 8.182 15.691 -16.371 165 HD13 LEU 20 HD13 LEU 20 9.787 16.314 -15.871 166 HD21 LEU 20 HD21 LEU 20 9.201 17.614 -13.373 167 HD22 LEU 20 HD22 LEU 20 10.053 18.323 -14.766 168 HD23 LEU 20 HD23 LEU 20 8.700 19.205 -14.025 169 H GLU 21 H GLU 21 4.777 18.936 -17.395 170 HA GLU 21 HA GLU 21 3.483 16.718 -16.032 171 HB2 GLU 21 HB2 GLU 21 2.559 19.275 -17.376 172 HB3 GLU 21 HB3 GLU 21 1.395 18.086 -16.764 173 HG2 GLU 21 HG2 GLU 21 3.605 19.196 -15.002 174 HG3 GLU 21 HG3 GLU 21 2.051 20.017 -15.194 175 H ASP 22 H ASP 22 4.080 17.622 -19.391 176 HA ASP 22 HA ASP 22 2.105 15.780 -20.466 177 HB2 ASP 22 HB2 ASP 22 2.835 17.796 -21.669 178 HB3 ASP 22 HB3 ASP 22 4.488 17.162 -21.751 179 H PHE 23 H PHE 23 5.624 15.662 -19.679 180 HA PHE 23 HA PHE 23 5.974 13.093 -20.967 181 HB2 PHE 23 HB2 PHE 23 7.613 14.547 -18.868 182 HB3 PHE 23 HB3 PHE 23 8.126 13.095 -19.722 183 HD1 PHE 23 HD1 PHE 23 6.601 14.400 -22.391 184 HD2 PHE 23 HD2 PHE 23 9.752 15.533 -19.684 185 HE1 PHE 23 HE1 PHE 23 7.618 15.779 -24.156 186 HE2 PHE 23 HE2 PHE 23 10.817 16.852 -21.501 187 HZ PHE 23 HZ PHE 23 9.733 17.004 -23.727 188 H LEU 24 H LEU 24 4.853 14.094 -17.738 189 HA LEU 24 HA LEU 24 5.235 11.394 -16.678 190 HB2 LEU 24 HB2 LEU 24 3.751 13.841 -15.658 191 HB3 LEU 24 HB3 LEU 24 3.884 12.325 -14.756 192 HG LEU 24 HG LEU 24 6.275 13.965 -15.698 193 HD11 LEU 24 HD11 LEU 24 5.045 13.710 -12.922 194 HD12 LEU 24 HD12 LEU 24 6.475 14.675 -13.370 195 HD13 LEU 24 HD13 LEU 24 4.865 15.116 -13.995 196 HD21 LEU 24 HD21 LEU 24 7.534 12.574 -14.103 197 HD22 LEU 24 HD22 LEU 24 6.066 11.642 -13.741 198 HD23 LEU 24 HD23 LEU 24 6.807 11.568 -15.363 199 H GLU 25 H GLU 25 2.831 12.986 -18.630 200 HA GLU 25 HA GLU 25 0.740 11.050 -17.935 201 HB2 GLU 25 HB2 GLU 25 0.251 13.411 -18.526 202 HB3 GLU 25 HB3 GLU 25 0.905 13.131 -20.153 203 HG2 GLU 25 HG2 GLU 25 -0.822 11.420 -20.562 204 HG3 GLU 25 HG3 GLU 25 -1.442 11.626 -18.918 205 H VAL 26 H VAL 26 3.297 11.450 -20.347 206 HA VAL 26 HA VAL 26 2.198 9.351 -22.077 207 HB VAL 26 HB VAL 26 4.722 11.041 -22.165 208 HG11 VAL 26 HG11 VAL 26 3.699 8.996 -24.178 209 HG12 VAL 26 HG12 VAL 26 4.996 10.181 -24.480 210 HG13 VAL 26 HG13 VAL 26 5.231 8.916 -23.265 211 HG21 VAL 26 HG21 VAL 26 2.198 10.983 -23.886 212 HG22 VAL 26 HG22 VAL 26 2.551 12.185 -22.628 213 HG23 VAL 26 HG23 VAL 26 3.576 12.090 -24.075 214 H LEU 27 H LEU 27 4.380 9.562 -19.357 215 HA LEU 27 HA LEU 27 5.557 6.927 -20.009 216 HB2 LEU 27 HB2 LEU 27 6.242 8.988 -17.891 217 HB3 LEU 27 HB3 LEU 27 7.072 7.440 -18.087 218 HG LEU 27 HG LEU 27 6.903 9.564 -20.269 219 HD11 LEU 27 HD11 LEU 27 9.208 8.824 -18.419 220 HD12 LEU 27 HD12 LEU 27 9.242 10.034 -19.724 221 HD13 LEU 27 HD13 LEU 27 8.227 10.302 -18.293 222 HD21 LEU 27 HD21 LEU 27 7.214 7.299 -21.162 223 HD22 LEU 27 HD22 LEU 27 8.713 8.227 -21.306 224 HD23 LEU 27 HD23 LEU 27 8.549 7.012 -20.016 225 H ASP 28 H ASP 28 2.692 7.536 -18.987 226 HA ASP 28 HA ASP 28 1.203 6.663 -17.534 227 HB2 ASP 28 HB2 ASP 28 1.922 4.680 -18.841 228 HB3 ASP 28 HB3 ASP 28 3.068 4.273 -17.556 229 H LYS 29 H LYS 29 3.138 8.354 -16.333 230 HA LYS 29 HA LYS 29 3.857 7.180 -13.740 231 HB2 LYS 29 HB2 LYS 29 4.818 9.236 -15.431 232 HB3 LYS 29 HB3 LYS 29 4.183 10.070 -14.007 233 HG2 LYS 29 HG2 LYS 29 6.181 7.760 -13.954 234 HG3 LYS 29 HG3 LYS 29 6.601 9.480 -13.836 235 HD2 LYS 29 HD2 LYS 29 5.048 9.608 -11.823 236 HD3 LYS 29 HD3 LYS 29 5.009 7.826 -11.857 237 HE2 LYS 29 HE2 LYS 29 7.481 9.588 -11.610 238 HE3 LYS 29 HE3 LYS 29 6.706 8.714 -10.289 239 HZ1 LYS 29 HZ1 LYS 29 7.964 7.497 -12.667 240 HZ2 LYS 29 HZ2 LYS 29 8.569 7.499 -11.140 241 HZ3 LYS 29 HZ3 LYS 29 7.197 6.657 -11.484 242 H THR 30 H THR 30 3.232 8.432 -11.711 243 HA THR 30 HA THR 30 0.391 9.332 -11.915 244 HB THR 30 HB THR 30 1.734 7.915 -9.576 245 HG1 THR 30 HG1 THR 30 1.434 6.576 -11.399 246 HG21 THR 30 HG21 THR 30 -1.172 8.632 -10.190 247 HG22 THR 30 HG22 THR 30 -0.608 7.668 -8.806 248 HG23 THR 30 HG23 THR 30 -0.159 9.379 -8.927 249 HA PRO 31 HA PRO 31 2.990 12.894 -10.483 250 HB2 PRO 31 HB2 PRO 31 1.569 14.856 -11.778 251 HB3 PRO 31 HB3 PRO 31 2.845 13.878 -12.575 252 HG2 PRO 31 HG2 PRO 31 -0.153 13.410 -12.622 253 HG3 PRO 31 HG3 PRO 31 0.979 13.458 -14.016 254 HD2 PRO 31 HD2 PRO 31 0.243 11.102 -12.908 255 HD3 PRO 31 HD3 PRO 31 1.942 11.366 -13.413 256 H VAL 32 H VAL 32 2.347 14.742 -9.086 257 HA VAL 32 HA VAL 32 -0.305 14.261 -7.801 258 HB VAL 32 HB VAL 32 0.769 14.558 -5.616 259 HG11 VAL 32 HG11 VAL 32 2.190 12.416 -7.248 260 HG12 VAL 32 HG12 VAL 32 1.889 12.418 -5.502 261 HG13 VAL 32 HG13 VAL 32 0.522 12.274 -6.635 262 HG21 VAL 32 HG21 VAL 32 2.743 15.909 -6.232 263 HG22 VAL 32 HG22 VAL 32 3.249 14.393 -5.445 264 HG23 VAL 32 HG23 VAL 32 3.370 14.543 -7.200 265 H GLY 33 H GLY 33 2.132 16.641 -8.815 266 HA2 GLY 33 HA2 GLY 33 0.342 18.699 -9.103 267 HA3 GLY 33 HA3 GLY 33 0.837 18.829 -7.411 268 H THR 34 H THR 34 1.372 20.955 -8.802 269 HA THR 34 HA THR 34 4.328 20.925 -9.030 270 HB THR 34 HB THR 34 2.444 22.374 -10.940 271 HG1 THR 34 HG1 THR 34 2.568 20.161 -11.360 272 HG21 THR 34 HG21 THR 34 4.564 22.867 -12.168 273 HG22 THR 34 HG22 THR 34 4.513 23.626 -10.563 274 HG23 THR 34 HG23 THR 34 5.481 22.154 -10.819 275 H VAL 35 H VAL 35 5.294 22.746 -8.133 276 HA VAL 35 HA VAL 35 3.516 24.922 -7.172 277 HB VAL 35 HB VAL 35 4.677 24.901 -4.990 278 HG11 VAL 35 HG11 VAL 35 2.466 23.805 -5.274 279 HG12 VAL 35 HG12 VAL 35 3.290 22.270 -5.643 280 HG13 VAL 35 HG13 VAL 35 3.460 23.003 -4.039 281 HG21 VAL 35 HG21 VAL 35 5.916 22.887 -4.284 282 HG22 VAL 35 HG22 VAL 35 5.767 22.205 -5.916 283 HG23 VAL 35 HG23 VAL 35 6.726 23.682 -5.645 284 H ASP 36 H ASP 36 4.705 26.876 -6.567 285 HA ASP 36 HA ASP 36 6.976 27.229 -8.435 286 HB2 ASP 36 HB2 ASP 36 5.161 29.260 -7.084 287 HB3 ASP 36 HB3 ASP 36 6.401 29.612 -8.301 288 H THR 37 H THR 37 6.524 26.694 -5.135 289 HA THR 37 HA THR 37 9.168 27.873 -4.526 290 HB THR 37 HB THR 37 8.343 28.801 -2.417 291 HG1 THR 37 HG1 THR 37 6.067 28.940 -2.141 292 HG21 THR 37 HG21 THR 37 7.120 30.731 -3.275 293 HG22 THR 37 HG22 THR 37 8.393 30.268 -4.429 294 HG23 THR 37 HG23 THR 37 6.694 29.851 -4.756 295 H VAL 38 H VAL 38 10.098 26.994 -2.526 296 HA VAL 38 HA VAL 38 9.541 24.163 -2.247 297 HB VAL 38 HB VAL 38 11.319 24.295 -0.482 298 HG11 VAL 38 HG11 VAL 38 11.844 23.804 -2.824 299 HG12 VAL 38 HG12 VAL 38 11.941 25.536 -3.195 300 HG13 VAL 38 HG13 VAL 38 13.130 24.795 -2.098 301 HG21 VAL 38 HG21 VAL 38 10.947 26.635 0.256 302 HG22 VAL 38 HG22 VAL 38 12.617 26.378 -0.279 303 HG23 VAL 38 HG23 VAL 38 11.474 27.221 -1.344 304 H ALA 39 H ALA 39 8.443 27.075 -0.624 305 HA ALA 39 HA ALA 39 7.624 25.767 1.814 306 HB1 ALA 39 HB1 ALA 39 6.630 28.309 0.459 307 HB2 ALA 39 HB2 ALA 39 6.299 27.822 2.136 308 HB3 ALA 39 HB3 ALA 39 7.959 28.210 1.632 309 H GLY 40 H GLY 40 6.229 26.170 -1.429 310 HA2 GLY 40 HA2 GLY 40 3.587 25.214 -0.715 311 HA3 GLY 40 HA3 GLY 40 4.270 25.376 -2.345 312 H ALA 41 H ALA 41 6.692 23.731 -1.591 313 HA ALA 41 HA ALA 41 5.557 21.147 -2.217 314 HB1 ALA 41 HB1 ALA 41 8.390 21.945 -1.419 315 HB2 ALA 41 HB2 ALA 41 7.905 20.396 -2.144 316 HB3 ALA 41 HB3 ALA 41 7.755 21.901 -3.080 317 H LEU 42 H LEU 42 6.693 22.788 0.743 318 HA LEU 42 HA LEU 42 6.585 20.356 2.345 319 HB2 LEU 42 HB2 LEU 42 6.722 23.319 3.031 320 HB3 LEU 42 HB3 LEU 42 6.798 22.022 4.235 321 HG LEU 42 HG LEU 42 8.772 22.343 1.934 322 HD11 LEU 42 HD11 LEU 42 9.037 22.992 4.899 323 HD12 LEU 42 HD12 LEU 42 10.332 23.106 3.689 324 HD13 LEU 42 HD13 LEU 42 8.925 24.186 3.580 325 HD21 LEU 42 HD21 LEU 42 8.586 20.013 2.701 326 HD22 LEU 42 HD22 LEU 42 10.114 20.723 3.259 327 HD23 LEU 42 HD23 LEU 42 8.756 20.546 4.395 328 H ALA 43 H ALA 43 4.279 22.785 1.258 329 HA ALA 43 HA ALA 43 2.335 22.179 3.330 330 HB1 ALA 43 HB1 ALA 43 2.078 23.615 0.662 331 HB2 ALA 43 HB2 ALA 43 0.858 23.602 1.956 332 HB3 ALA 43 HB3 ALA 43 2.435 24.372 2.229 333 H ARG 44 H ARG 44 3.167 20.866 0.154 334 HA ARG 44 HA ARG 44 0.690 19.264 0.051 335 HB2 ARG 44 HB2 ARG 44 3.151 19.352 -1.726 336 HB3 ARG 44 HB3 ARG 44 1.714 18.373 -2.045 337 HG2 ARG 44 HG2 ARG 44 1.712 21.416 -1.846 338 HG3 ARG 44 HG3 ARG 44 1.814 20.485 -3.347 339 HD2 ARG 44 HD2 ARG 44 -0.459 21.113 -3.126 340 HD3 ARG 44 HD3 ARG 44 -0.387 19.389 -2.715 341 HE ARG 44 HE ARG 44 -0.214 21.295 -0.465 342 HH11 ARG 44 HH11 ARG 44 -2.312 19.238 -2.434 343 HH12 ARG 44 HH12 ARG 44 -3.552 19.132 -1.207 344 HH21 ARG 44 HH21 ARG 44 -1.822 21.111 1.122 345 HH22 ARG 44 HH22 ARG 44 -3.291 20.223 0.791 346 H VAL 45 H VAL 45 3.956 18.940 1.247 347 HA VAL 45 HA VAL 45 3.769 16.018 1.389 348 HB VAL 45 HB VAL 45 5.761 18.090 2.355 349 HG11 VAL 45 HG11 VAL 45 5.829 15.072 2.781 350 HG12 VAL 45 HG12 VAL 45 7.217 16.168 3.002 351 HG13 VAL 45 HG13 VAL 45 5.795 16.326 4.045 352 HG21 VAL 45 HG21 VAL 45 5.696 17.455 -0.081 353 HG22 VAL 45 HG22 VAL 45 7.210 16.965 0.713 354 HG23 VAL 45 HG23 VAL 45 5.947 15.760 0.385 355 H GLU 46 H GLU 46 2.833 18.775 3.340 356 HA GLU 46 HA GLU 46 2.622 17.307 5.825 357 HB2 GLU 46 HB2 GLU 46 2.886 19.771 5.639 358 HB3 GLU 46 HB3 GLU 46 1.281 19.882 4.889 359 HG2 GLU 46 HG2 GLU 46 0.243 19.012 6.942 360 HG3 GLU 46 HG3 GLU 46 1.843 18.742 7.665 361 H ASP 47 H ASP 47 0.799 17.401 2.894 362 HA ASP 47 HA ASP 47 -1.670 16.423 4.197 363 HB2 ASP 47 HB2 ASP 47 -1.766 18.262 2.516 364 HB3 ASP 47 HB3 ASP 47 -1.094 17.166 1.305 365 H GLY 48 H GLY 48 1.207 15.230 2.793 366 HA2 GLY 48 HA2 GLY 48 1.887 13.071 2.350 367 HA3 GLY 48 HA3 GLY 48 0.298 12.493 2.874 368 H GLY 49 H GLY 49 0.752 10.973 0.994 369 HA2 GLY 49 HA2 GLY 49 -0.120 10.278 -1.024 370 HA3 GLY 49 HA3 GLY 49 -0.786 11.894 -1.298 371 H ILE 50 H ILE 50 2.637 11.515 -0.536 372 HA ILE 50 HA ILE 50 3.386 11.724 -3.396 373 HB ILE 50 HB ILE 50 4.411 13.564 -1.196 374 HG12 ILE 50 HG12 ILE 50 2.468 14.050 -3.491 375 HG13 ILE 50 HG13 ILE 50 2.127 14.165 -1.756 376 HG21 ILE 50 HG21 ILE 50 5.583 14.713 -3.039 377 HG22 ILE 50 HG22 ILE 50 6.100 13.032 -2.915 378 HG23 ILE 50 HG23 ILE 50 4.959 13.512 -4.193 379 HD11 ILE 50 HD11 ILE 50 3.755 16.051 -1.587 380 HD12 ILE 50 HD12 ILE 50 3.942 16.002 -3.361 381 HD13 ILE 50 HD13 ILE 50 2.368 16.387 -2.645 382 H ASP 51 H ASP 51 5.485 10.885 -3.860 383 HA ASP 51 HA ASP 51 6.666 9.323 -1.599 384 HB2 ASP 51 HB2 ASP 51 6.483 8.675 -4.561 385 HB3 ASP 51 HB3 ASP 51 7.401 7.733 -3.375 386 H ALA 52 H ALA 52 7.311 11.548 -4.292 387 HA ALA 52 HA ALA 52 9.908 12.161 -3.120 388 HB1 ALA 52 HB1 ALA 52 10.463 10.179 -4.485 389 HB2 ALA 52 HB2 ALA 52 9.725 10.941 -5.906 390 HB3 ALA 52 HB3 ALA 52 11.187 11.648 -5.175 391 H ALA 53 H ALA 53 11.053 13.852 -4.659 392 HA ALA 53 HA ALA 53 9.113 15.402 -6.255 393 HB1 ALA 53 HB1 ALA 53 10.604 16.556 -3.864 394 HB2 ALA 53 HB2 ALA 53 9.584 17.467 -5.004 395 HB3 ALA 53 HB3 ALA 53 8.858 16.241 -3.941 396 H ILE 54 H ILE 54 10.153 17.175 -7.453 397 HA ILE 54 HA ILE 54 13.086 16.782 -7.842 398 HB ILE 54 HB ILE 54 10.972 17.434 -9.933 399 HG12 ILE 54 HG12 ILE 54 12.770 14.990 -9.572 400 HG13 ILE 54 HG13 ILE 54 11.037 15.051 -9.222 401 HG21 ILE 54 HG21 ILE 54 13.995 17.099 -10.204 402 HG22 ILE 54 HG22 ILE 54 12.855 17.414 -11.533 403 HG23 ILE 54 HG23 ILE 54 13.117 18.644 -10.295 404 HD11 ILE 54 HD11 ILE 54 10.602 15.633 -11.621 405 HD12 ILE 54 HD12 ILE 54 12.336 15.411 -11.953 406 HD13 ILE 54 HD13 ILE 54 11.359 14.037 -11.395 407 H LEU 55 H LEU 55 14.291 18.588 -7.626 408 HA LEU 55 HA LEU 55 12.830 21.150 -7.139 409 HB2 LEU 55 HB2 LEU 55 15.335 19.932 -5.925 410 HB3 LEU 55 HB3 LEU 55 14.988 21.651 -5.823 411 HG LEU 55 HG LEU 55 14.363 20.426 -3.787 412 HD11 LEU 55 HD11 LEU 55 13.232 22.529 -4.417 413 HD12 LEU 55 HD12 LEU 55 11.975 21.601 -5.268 414 HD13 LEU 55 HD13 LEU 55 12.155 21.443 -3.508 415 HD21 LEU 55 HD21 LEU 55 12.110 19.171 -5.401 416 HD22 LEU 55 HD22 LEU 55 13.589 18.304 -4.900 417 HD23 LEU 55 HD23 LEU 55 12.463 18.953 -3.686 418 H ASP 56 H ASP 56 13.318 22.865 -8.344 419 HA ASP 56 HA ASP 56 15.668 22.681 -10.157 420 HB2 ASP 56 HB2 ASP 56 13.397 22.928 -11.153 421 HB3 ASP 56 HB3 ASP 56 13.230 24.485 -10.323 422 H VAL 57 H VAL 57 16.968 24.623 -10.444 423 HA VAL 57 HA VAL 57 17.608 25.788 -7.884 424 HB VAL 57 HB VAL 57 19.368 26.976 -9.128 425 HG11 VAL 57 HG11 VAL 57 19.082 24.032 -9.875 426 HG12 VAL 57 HG12 VAL 57 20.595 24.971 -9.848 427 HG13 VAL 57 HG13 VAL 57 19.716 24.663 -8.337 428 HG21 VAL 57 HG21 VAL 57 18.118 27.369 -11.245 429 HG22 VAL 57 HG22 VAL 57 19.685 26.585 -11.523 430 HG23 VAL 57 HG23 VAL 57 18.187 25.628 -11.594 431 H ASN 58 H ASN 58 15.331 26.692 -10.277 432 HA ASN 58 HA ASN 58 15.330 29.510 -9.305 433 HB2 ASN 58 HB2 ASN 58 14.101 28.235 -11.775 434 HB3 ASN 58 HB3 ASN 58 13.861 29.912 -11.289 435 HD21 ASN 58 HD21 ASN 58 16.528 29.963 -13.834 436 HD22 ASN 58 HD22 ASN 58 14.820 29.577 -13.745 437 H LEU 59 H LEU 59 13.564 30.375 -8.351 438 HA LEU 59 HA LEU 59 11.060 28.815 -8.081 439 HB2 LEU 59 HB2 LEU 59 12.643 30.007 -5.772 440 HB3 LEU 59 HB3 LEU 59 11.032 29.304 -5.646 441 HG LEU 59 HG LEU 59 13.524 27.763 -6.499 442 HD11 LEU 59 HD11 LEU 59 13.481 26.845 -4.246 443 HD12 LEU 59 HD12 LEU 59 13.590 28.621 -4.172 444 HD13 LEU 59 HD13 LEU 59 12.040 27.819 -3.847 445 HD21 LEU 59 HD21 LEU 59 11.370 26.792 -7.325 446 HD22 LEU 59 HD22 LEU 59 12.132 25.776 -6.087 447 HD23 LEU 59 HD23 LEU 59 10.748 26.816 -5.660 448 H ARG 60 H ARG 60 9.380 30.300 -6.956 449 HA ARG 60 HA ARG 60 9.565 32.953 -8.170 450 HB2 ARG 60 HB2 ARG 60 7.457 31.635 -8.183 451 HB3 ARG 60 HB3 ARG 60 7.405 31.712 -6.416 452 HG2 ARG 60 HG2 ARG 60 5.923 33.388 -7.398 453 HG3 ARG 60 HG3 ARG 60 7.245 34.193 -6.536 454 HD2 ARG 60 HD2 ARG 60 8.428 34.576 -8.670 455 HD3 ARG 60 HD3 ARG 60 7.173 33.688 -9.544 456 HE ARG 60 HE ARG 60 6.976 36.398 -8.369 457 HH11 ARG 60 HH11 ARG 60 5.342 33.728 -10.012 458 HH12 ARG 60 HH12 ARG 60 3.998 34.718 -10.535 459 HH21 ARG 60 HH21 ARG 60 5.213 37.666 -9.066 460 HH22 ARG 60 HH22 ARG 60 3.930 36.938 -10.002 461 H GLY 61 H GLY 61 10.064 34.834 -7.142 462 HA2 GLY 61 HA2 GLY 61 10.445 36.335 -5.439 463 HA3 GLY 61 HA3 GLY 61 9.789 35.165 -4.285 464 H GLY 62 H GLY 62 12.257 33.587 -6.018 465 HA2 GLY 62 HA2 GLY 62 14.585 34.690 -4.824 466 HA3 GLY 62 HA3 GLY 62 13.983 33.390 -3.785 467 H GLU 63 H GLU 63 16.504 33.369 -5.126 468 HA GLU 63 HA GLU 63 16.118 31.044 -6.945 469 HB2 GLU 63 HB2 GLU 63 18.102 33.331 -7.246 470 HB3 GLU 63 HB3 GLU 63 18.080 31.849 -8.225 471 HG2 GLU 63 HG2 GLU 63 15.805 32.377 -9.009 472 HG3 GLU 63 HG3 GLU 63 15.800 33.859 -8.041 473 H LYS 64 H LYS 64 18.036 29.660 -7.104 474 HA LYS 64 HA LYS 64 19.549 28.292 -6.205 475 HB2 LYS 64 HB2 LYS 64 20.809 30.471 -6.601 476 HB3 LYS 64 HB3 LYS 64 20.775 30.698 -4.845 477 HG2 LYS 64 HG2 LYS 64 21.963 28.519 -4.568 478 HG3 LYS 64 HG3 LYS 64 21.935 28.297 -6.331 479 HD2 LYS 64 HD2 LYS 64 23.281 30.363 -6.605 480 HD3 LYS 64 HD3 LYS 64 23.264 30.611 -4.849 481 HE2 LYS 64 HE2 LYS 64 25.379 29.608 -5.499 482 HE3 LYS 64 HE3 LYS 64 24.444 28.448 -4.543 483 HZ1 LYS 64 HZ1 LYS 64 24.645 28.476 -7.483 484 HZ2 LYS 64 HZ2 LYS 64 25.426 27.437 -6.477 485 HZ3 LYS 64 HZ3 LYS 64 23.791 27.383 -6.592 486 H SER 65 H SER 65 17.088 28.682 -4.626 487 HA SER 65 HA SER 65 17.941 28.332 -1.852 488 HB2 SER 65 HB2 SER 65 15.213 27.942 -3.103 489 HB3 SER 65 HB3 SER 65 15.579 28.078 -1.370 490 HG SER 65 HG SER 65 14.894 30.076 -2.239 491 H THR 66 H THR 66 18.893 26.426 -3.981 492 HA THR 66 HA THR 66 17.560 23.977 -3.927 493 HB THR 66 HB THR 66 20.567 24.386 -4.091 494 HG1 THR 66 HG1 THR 66 20.169 24.803 -6.274 495 HG21 THR 66 HG21 THR 66 20.386 22.513 -5.718 496 HG22 THR 66 HG22 THR 66 19.815 22.032 -4.108 497 HG23 THR 66 HG23 THR 66 18.642 22.402 -5.391 498 HA PRO 67 HA PRO 67 20.470 22.843 -0.141 499 HB2 PRO 67 HB2 PRO 67 19.963 25.398 1.367 500 HB3 PRO 67 HB3 PRO 67 21.387 24.308 1.448 501 HG2 PRO 67 HG2 PRO 67 21.561 26.585 0.021 502 HG3 PRO 67 HG3 PRO 67 22.153 25.053 -0.713 503 HD2 PRO 67 HD2 PRO 67 19.470 26.406 -1.110 504 HD3 PRO 67 HD3 PRO 67 20.595 25.781 -2.355 505 H VAL 68 H VAL 68 17.331 24.346 -0.353 506 HA VAL 68 HA VAL 68 16.353 23.418 2.206 507 HB VAL 68 HB VAL 68 14.870 24.249 -0.322 508 HG11 VAL 68 HG11 VAL 68 12.990 24.692 1.284 509 HG12 VAL 68 HG12 VAL 68 13.371 22.975 1.123 510 HG13 VAL 68 HG13 VAL 68 13.926 23.876 2.556 511 HG21 VAL 68 HG21 VAL 68 16.325 26.034 0.633 512 HG22 VAL 68 HG22 VAL 68 14.606 26.398 0.897 513 HG23 VAL 68 HG23 VAL 68 15.594 25.763 2.230 514 H ALA 69 H ALA 69 17.136 21.828 -0.752 515 HA ALA 69 HA ALA 69 15.255 19.693 -0.685 516 HB1 ALA 69 HB1 ALA 69 16.961 18.516 -2.033 517 HB2 ALA 69 HB2 ALA 69 16.801 20.206 -2.574 518 HB3 ALA 69 HB3 ALA 69 18.179 19.713 -1.559 519 H GLU 70 H GLU 70 18.026 20.495 1.328 520 HA GLU 70 HA GLU 70 18.407 17.820 2.370 521 HB2 GLU 70 HB2 GLU 70 19.314 20.547 3.368 522 HB3 GLU 70 HB3 GLU 70 19.885 18.980 3.985 523 HG2 GLU 70 HG2 GLU 70 20.760 18.376 1.785 524 HG3 GLU 70 HG3 GLU 70 20.111 19.849 1.069 525 H ALA 71 H ALA 71 16.147 20.409 2.997 526 HA ALA 71 HA ALA 71 15.443 19.421 5.663 527 HB1 ALA 71 HB1 ALA 71 15.145 21.798 5.020 528 HB2 ALA 71 HB2 ALA 71 13.974 21.308 3.772 529 HB3 ALA 71 HB3 ALA 71 13.607 21.039 5.486 530 H LEU 72 H LEU 72 14.547 18.844 2.279 531 HA LEU 72 HA LEU 72 12.221 17.226 2.932 532 HB2 LEU 72 HB2 LEU 72 13.965 17.307 0.433 533 HB3 LEU 72 HB3 LEU 72 12.395 16.509 0.572 534 HG LEU 72 HG LEU 72 12.877 19.504 0.909 535 HD11 LEU 72 HD11 LEU 72 11.711 19.681 -1.249 536 HD12 LEU 72 HD12 LEU 72 13.187 18.701 -1.409 537 HD13 LEU 72 HD13 LEU 72 11.597 17.907 -1.348 538 HD21 LEU 72 HD21 LEU 72 10.933 18.713 2.221 539 HD22 LEU 72 HD22 LEU 72 10.403 19.639 0.805 540 HD23 LEU 72 HD23 LEU 72 10.308 17.861 0.789 541 H ALA 73 H ALA 73 15.721 16.706 2.722 542 HA ALA 73 HA ALA 73 15.512 13.814 2.786 543 HB1 ALA 73 HB1 ALA 73 17.804 15.702 3.462 544 HB2 ALA 73 HB2 ALA 73 17.942 13.941 3.274 545 HB3 ALA 73 HB3 ALA 73 17.497 14.942 1.880 546 H ALA 74 H ALA 74 15.480 16.431 5.167 547 HA ALA 74 HA ALA 74 15.797 14.649 7.448 548 HB1 ALA 74 HB1 ALA 74 14.776 17.512 7.237 549 HB2 ALA 74 HB2 ALA 74 15.217 16.666 8.740 550 HB3 ALA 74 HB3 ALA 74 16.464 17.031 7.523 551 H ARG 75 H ARG 75 13.265 15.547 5.271 552 HA ARG 75 HA ARG 75 11.156 14.587 7.079 553 HB2 ARG 75 HB2 ARG 75 10.863 16.624 5.679 554 HB3 ARG 75 HB3 ARG 75 11.035 15.644 4.222 555 HG2 ARG 75 HG2 ARG 75 8.704 16.232 4.748 556 HG3 ARG 75 HG3 ARG 75 8.947 14.483 4.679 557 HD2 ARG 75 HD2 ARG 75 9.010 16.041 7.291 558 HD3 ARG 75 HD3 ARG 75 7.503 15.434 6.584 559 HE ARG 75 HE ARG 75 9.184 13.230 6.624 560 HH11 ARG 75 HH11 ARG 75 7.873 15.465 9.039 561 HH12 ARG 75 HH12 ARG 75 7.884 14.269 10.314 562 HH21 ARG 75 HH21 ARG 75 9.197 11.702 8.318 563 HH22 ARG 75 HH22 ARG 75 8.613 12.144 9.905 564 H ASP 76 H ASP 76 13.502 13.102 5.474 565 HA ASP 76 HA ASP 76 13.861 11.084 4.612 566 HB2 ASP 76 HB2 ASP 76 12.734 10.456 6.724 567 HB3 ASP 76 HB3 ASP 76 11.212 10.284 5.837 568 H ILE 77 H ILE 77 12.679 12.985 2.818 569 HA ILE 77 HA ILE 77 11.399 11.078 0.918 570 HB ILE 77 HB ILE 77 10.966 14.072 1.210 571 HG12 ILE 77 HG12 ILE 77 9.110 11.677 1.573 572 HG13 ILE 77 HG13 ILE 77 9.782 12.674 2.875 573 HG21 ILE 77 HG21 ILE 77 9.789 12.119 -0.811 574 HG22 ILE 77 HG22 ILE 77 9.405 13.855 -0.673 575 HG23 ILE 77 HG23 ILE 77 11.021 13.358 -1.170 576 HD11 ILE 77 HD11 ILE 77 8.627 14.669 1.898 577 HD12 ILE 77 HD12 ILE 77 7.831 13.584 0.724 578 HD13 ILE 77 HD13 ILE 77 7.520 13.392 2.456 579 HA PRO 78 HA PRO 78 15.180 11.918 -1.284 580 HB2 PRO 78 HB2 PRO 78 14.753 10.434 -3.509 581 HB3 PRO 78 HB3 PRO 78 14.966 9.667 -1.900 582 HG2 PRO 78 HG2 PRO 78 12.357 10.337 -3.302 583 HG3 PRO 78 HG3 PRO 78 12.846 8.766 -2.579 584 HD2 PRO 78 HD2 PRO 78 11.322 10.579 -1.219 585 HD3 PRO 78 HD3 PRO 78 12.563 9.596 -0.380 586 H PHE 79 H PHE 79 15.929 13.020 -3.192 587 HA PHE 79 HA PHE 79 13.891 14.403 -4.818 588 HB2 PHE 79 HB2 PHE 79 14.865 16.593 -4.349 589 HB3 PHE 79 HB3 PHE 79 14.225 15.857 -2.884 590 HD1 PHE 79 HD1 PHE 79 15.589 15.590 -0.977 591 HD2 PHE 79 HD2 PHE 79 17.419 16.417 -4.784 592 HE1 PHE 79 HE1 PHE 79 17.775 15.981 0.141 593 HE2 PHE 79 HE2 PHE 79 19.597 16.754 -3.659 594 HZ PHE 79 HZ PHE 79 19.763 16.568 -1.186 595 H VAL 80 H VAL 80 14.860 15.661 -6.580 596 HA VAL 80 HA VAL 80 17.559 14.768 -7.445 597 HB VAL 80 HB VAL 80 14.958 14.597 -9.009 598 HG11 VAL 80 HG11 VAL 80 16.633 15.515 -10.515 599 HG12 VAL 80 HG12 VAL 80 17.833 14.328 -9.968 600 HG13 VAL 80 HG13 VAL 80 16.407 13.797 -10.895 601 HG21 VAL 80 HG21 VAL 80 15.415 12.650 -7.589 602 HG22 VAL 80 HG22 VAL 80 15.710 12.216 -9.284 603 HG23 VAL 80 HG23 VAL 80 17.082 12.555 -8.212 604 H PHE 81 H PHE 81 18.632 16.303 -8.800 605 HA PHE 81 HA PHE 81 17.570 19.034 -8.456 606 HB2 PHE 81 HB2 PHE 81 20.248 18.033 -9.454 607 HB3 PHE 81 HB3 PHE 81 19.821 19.720 -9.181 608 HD1 PHE 81 HD1 PHE 81 18.538 19.786 -6.582 609 HD2 PHE 81 HD2 PHE 81 21.854 17.397 -7.920 610 HE1 PHE 81 HE1 PHE 81 19.367 19.617 -4.245 611 HE2 PHE 81 HE2 PHE 81 22.695 17.261 -5.597 612 HZ PHE 81 HZ PHE 81 21.444 18.363 -3.753 613 H ALA 82 H ALA 82 17.487 20.569 -10.152 614 HA ALA 82 HA ALA 82 17.813 19.598 -12.921 615 HB1 ALA 82 HB1 ALA 82 15.306 20.973 -11.860 616 HB2 ALA 82 HB2 ALA 82 15.648 20.609 -13.568 617 HB3 ALA 82 HB3 ALA 82 15.416 19.282 -12.405 618 H THR 83 H THR 83 18.932 21.061 -14.086 619 HA THR 83 HA THR 83 18.688 23.916 -13.659 620 HB THR 83 HB THR 83 20.098 23.308 -11.716 621 HG1 THR 83 HG1 THR 83 20.486 25.272 -12.727 622 HG21 THR 83 HG21 THR 83 21.170 21.278 -12.625 623 HG22 THR 83 HG22 THR 83 22.070 22.270 -13.797 624 HG23 THR 83 HG23 THR 83 22.373 22.448 -12.053 625 H GLY 84 H GLY 84 19.956 25.154 -15.206 626 HA2 GLY 84 HA2 GLY 84 20.819 23.588 -17.571 627 HA3 GLY 84 HA3 GLY 84 20.509 25.332 -17.510 628 H GLY 85 H GLY 85 22.959 23.505 -18.226 629 HA2 GLY 85 HA2 GLY 85 25.094 25.092 -17.879 630 HA3 GLY 85 HA3 GLY 85 24.948 24.413 -16.252 631 H SER 86 H SER 86 26.957 23.367 -16.443 632 HA SER 86 HA SER 86 26.966 20.963 -18.219 633 HB2 SER 86 HB2 SER 86 29.352 21.151 -18.352 634 HB3 SER 86 HB3 SER 86 28.658 22.723 -18.802 635 HG SER 86 HG SER 86 29.088 23.417 -16.660 636 H ASP 87 H ASP 87 28.643 19.301 -17.275 637 HA ASP 87 HA ASP 87 27.610 18.464 -14.726 638 HB2 ASP 87 HB2 ASP 87 29.122 16.576 -15.007 639 HB3 ASP 87 HB3 ASP 87 28.245 16.896 -16.510 640 H ASP 88 H ASP 88 29.816 20.861 -15.400 641 HA ASP 88 HA ASP 88 31.288 20.387 -12.866 642 HB2 ASP 88 HB2 ASP 88 32.666 20.377 -14.944 643 HB3 ASP 88 HB3 ASP 88 32.144 22.037 -15.264 644 H SER 89 H SER 89 28.699 22.029 -14.043 645 HA SER 89 HA SER 89 29.258 24.644 -12.836 646 HB2 SER 89 HB2 SER 89 26.726 23.526 -14.091 647 HB3 SER 89 HB3 SER 89 27.027 25.225 -13.667 648 HG SER 89 HG SER 89 28.723 25.235 -15.168 649 H VAL 90 H VAL 90 28.761 21.805 -11.408 650 HA VAL 90 HA VAL 90 27.087 22.927 -9.230 651 HB VAL 90 HB VAL 90 25.959 20.707 -9.062 652 HG11 VAL 90 HG11 VAL 90 24.262 21.189 -10.733 653 HG12 VAL 90 HG12 VAL 90 24.813 22.679 -9.948 654 HG13 VAL 90 HG13 VAL 90 25.375 22.281 -11.591 655 HG21 VAL 90 HG21 VAL 90 27.508 19.403 -10.517 656 HG22 VAL 90 HG22 VAL 90 25.825 19.298 -11.077 657 HG23 VAL 90 HG23 VAL 90 26.973 20.346 -11.927 658 H ASP 91 H ASP 91 27.314 21.871 -7.209 659 HA ASP 91 HA ASP 91 30.002 21.149 -6.558 660 HB2 ASP 91 HB2 ASP 91 28.499 22.326 -5.029 661 HB3 ASP 91 HB3 ASP 91 27.399 20.943 -5.004 662 H SER 92 H SER 92 30.618 19.135 -5.358 663 HA SER 92 HA SER 92 30.346 16.903 -7.037 664 HB2 SER 92 HB2 SER 92 31.190 17.053 -4.120 665 HB3 SER 92 HB3 SER 92 31.546 15.716 -5.246 666 HG SER 92 HG SER 92 33.263 17.230 -5.094 667 H ARG 93 H ARG 93 28.173 17.961 -4.465 668 HA ARG 93 HA ARG 93 27.084 15.312 -3.997 669 HB2 ARG 93 HB2 ARG 93 26.985 17.151 -2.343 670 HB3 ARG 93 HB3 ARG 93 25.887 18.049 -3.416 671 HG2 ARG 93 HG2 ARG 93 24.197 16.297 -3.230 672 HG3 ARG 93 HG3 ARG 93 25.341 15.225 -2.397 673 HD2 ARG 93 HD2 ARG 93 23.817 16.213 -0.782 674 HD3 ARG 93 HD3 ARG 93 25.467 16.796 -0.508 675 HE ARG 93 HE ARG 93 24.043 18.600 -2.232 676 HH11 ARG 93 HH11 ARG 93 24.306 17.559 1.130 677 HH12 ARG 93 HH12 ARG 93 23.699 19.063 1.781 678 HH21 ARG 93 HH21 ARG 93 23.262 20.583 -1.367 679 HH22 ARG 93 HH22 ARG 93 23.095 20.769 0.361 680 H PHE 94 H PHE 94 26.549 17.848 -6.378 681 HA PHE 94 HA PHE 94 24.081 16.658 -7.407 682 HB2 PHE 94 HB2 PHE 94 26.047 18.628 -8.609 683 HB3 PHE 94 HB3 PHE 94 24.460 18.232 -9.270 684 HD1 PHE 94 HD1 PHE 94 22.707 19.675 -8.841 685 HD2 PHE 94 HD2 PHE 94 26.014 19.551 -6.102 686 HE1 PHE 94 HE1 PHE 94 21.714 21.545 -7.558 687 HE2 PHE 94 HE2 PHE 94 25.015 21.412 -4.807 688 HZ PHE 94 HZ PHE 94 22.872 22.424 -5.543 689 H ARG 95 H ARG 95 27.511 16.183 -7.664 690 HA ARG 95 HA ARG 95 27.317 14.651 -10.170 691 HB2 ARG 95 HB2 ARG 95 29.689 14.976 -8.307 692 HB3 ARG 95 HB3 ARG 95 29.714 14.461 -10.006 693 HG2 ARG 95 HG2 ARG 95 28.848 16.708 -10.677 694 HG3 ARG 95 HG3 ARG 95 28.869 17.206 -8.971 695 HD2 ARG 95 HD2 ARG 95 31.352 16.590 -8.960 696 HD3 ARG 95 HD3 ARG 95 31.235 16.476 -10.724 697 HE ARG 95 HE ARG 95 30.252 18.971 -9.476 698 HH11 ARG 95 HH11 ARG 95 32.907 17.356 -11.192 699 HH12 ARG 95 HH12 ARG 95 33.666 18.873 -11.631 700 HH21 ARG 95 HH21 ARG 95 31.294 20.889 -10.048 701 HH22 ARG 95 HH22 ARG 95 32.759 20.840 -11.012 702 H ASP 96 H ASP 96 26.784 14.112 -6.864 703 HA ASP 96 HA ASP 96 27.304 11.194 -7.122 704 HB2 ASP 96 HB2 ASP 96 28.408 12.409 -5.268 705 HB3 ASP 96 HB3 ASP 96 26.824 12.914 -4.663 706 H ARG 97 H ARG 97 24.796 13.523 -7.235 707 HA ARG 97 HA ARG 97 22.765 11.381 -6.801 708 HB2 ARG 97 HB2 ARG 97 22.543 14.376 -6.283 709 HB3 ARG 97 HB3 ARG 97 21.205 13.221 -6.191 710 HG2 ARG 97 HG2 ARG 97 22.472 11.950 -4.435 711 HG3 ARG 97 HG3 ARG 97 23.710 13.224 -4.458 712 HD2 ARG 97 HD2 ARG 97 22.130 13.659 -2.634 713 HD3 ARG 97 HD3 ARG 97 21.962 14.904 -3.885 714 HE ARG 97 HE ARG 97 19.830 14.132 -4.383 715 HH11 ARG 97 HH11 ARG 97 21.429 11.859 -2.199 716 HH12 ARG 97 HH12 ARG 97 19.988 10.905 -1.943 717 HH21 ARG 97 HH21 ARG 97 17.980 12.856 -4.065 718 HH22 ARG 97 HH22 ARG 97 18.031 11.485 -2.975 719 HA PRO 98 HA PRO 98 21.404 11.933 -10.911 720 HB2 PRO 98 HB2 PRO 98 18.603 12.309 -9.900 721 HB3 PRO 98 HB3 PRO 98 19.212 11.158 -11.131 722 HG2 PRO 98 HG2 PRO 98 18.625 10.296 -8.631 723 HG3 PRO 98 HG3 PRO 98 20.140 9.739 -9.432 724 HD2 PRO 98 HD2 PRO 98 19.811 11.986 -7.424 725 HD3 PRO 98 HD3 PRO 98 20.998 10.644 -7.423 726 H VAL 99 H VAL 99 20.862 13.480 -12.456 727 HA VAL 99 HA VAL 99 19.920 16.142 -11.583 728 HB VAL 99 HB VAL 99 21.732 17.233 -12.882 729 HG11 VAL 99 HG11 VAL 99 21.881 17.026 -10.417 730 HG12 VAL 99 HG12 VAL 99 22.761 15.492 -10.608 731 HG13 VAL 99 HG13 VAL 99 23.481 17.006 -11.191 732 HG21 VAL 99 HG21 VAL 99 22.406 15.325 -14.311 733 HG22 VAL 99 HG22 VAL 99 23.789 15.970 -13.409 734 HG23 VAL 99 HG23 VAL 99 23.013 14.465 -12.878 735 H LEU 100 H LEU 100 19.132 17.443 -13.331 736 HA LEU 100 HA LEU 100 18.852 16.073 -15.942 737 HB2 LEU 100 HB2 LEU 100 16.858 15.560 -14.563 738 HB3 LEU 100 HB3 LEU 100 16.581 17.286 -14.318 739 HG LEU 100 HG LEU 100 16.202 17.589 -16.741 740 HD11 LEU 100 HD11 LEU 100 16.622 14.573 -16.880 741 HD12 LEU 100 HD12 LEU 100 15.980 15.583 -18.197 742 HD13 LEU 100 HD13 LEU 100 17.649 15.807 -17.649 743 HD21 LEU 100 HD21 LEU 100 14.617 15.281 -15.536 744 HD22 LEU 100 HD22 LEU 100 14.311 17.012 -15.257 745 HD23 LEU 100 HD23 LEU 100 14.085 16.325 -16.878 746 H GLN 101 H GLN 101 18.712 17.471 -17.708 747 HA GLN 101 HA GLN 101 19.775 20.132 -17.266 748 HB2 GLN 101 HB2 GLN 101 19.842 20.254 -19.696 749 HB3 GLN 101 HB3 GLN 101 20.483 18.697 -19.145 750 HG2 GLN 101 HG2 GLN 101 18.313 17.611 -19.662 751 HG3 GLN 101 HG3 GLN 101 17.644 19.174 -20.150 752 HE21 GLN 101 HE21 GLN 101 18.506 17.656 -23.347 753 HE22 GLN 101 HE22 GLN 101 17.277 17.585 -22.105 754 H LYS 102 H LYS 102 18.735 22.076 -18.418 755 HA LYS 102 HA LYS 102 16.049 22.235 -17.341 756 HB2 LYS 102 HB2 LYS 102 17.774 24.031 -17.098 757 HB3 LYS 102 HB3 LYS 102 17.622 24.375 -18.828 758 HG2 LYS 102 HG2 LYS 102 16.266 25.918 -17.462 759 HG3 LYS 102 HG3 LYS 102 15.235 24.933 -18.522 760 HD2 LYS 102 HD2 LYS 102 14.603 23.485 -16.678 761 HD3 LYS 102 HD3 LYS 102 15.812 24.244 -15.614 762 HE2 LYS 102 HE2 LYS 102 14.598 26.385 -15.777 763 HE3 LYS 102 HE3 LYS 102 13.385 25.628 -16.828 764 HZ1 LYS 102 HZ1 LYS 102 13.998 24.743 -14.090 765 HZ2 LYS 102 HZ2 LYS 102 12.750 25.738 -14.485 766 HZ3 LYS 102 HZ3 LYS 102 12.773 24.193 -15.034 767 HA PRO 103 HA PRO 103 14.906 22.708 -22.026 768 HB2 PRO 103 HB2 PRO 103 16.965 20.838 -23.146 769 HB3 PRO 103 HB3 PRO 103 16.247 22.303 -23.898 770 HG2 PRO 103 HG2 PRO 103 18.768 22.377 -22.907 771 HG3 PRO 103 HG3 PRO 103 17.641 23.741 -22.584 772 HD2 PRO 103 HD2 PRO 103 18.294 21.388 -20.787 773 HD3 PRO 103 HD3 PRO 103 18.277 23.137 -20.384 774 H PHE 104 H PHE 104 13.309 21.231 -22.774 775 HA PHE 104 HA PHE 104 13.458 18.517 -21.537 776 HB2 PHE 104 HB2 PHE 104 11.405 20.627 -21.381 777 HB3 PHE 104 HB3 PHE 104 10.783 19.035 -21.809 778 HD1 PHE 104 HD1 PHE 104 9.774 18.092 -19.876 779 HD2 PHE 104 HD2 PHE 104 13.575 20.103 -19.514 780 HE1 PHE 104 HE1 PHE 104 9.992 17.281 -17.587 781 HE2 PHE 104 HE2 PHE 104 13.746 19.335 -17.173 782 HZ PHE 104 HZ PHE 104 11.968 17.900 -16.200 783 H THR 105 H THR 105 13.136 16.813 -22.731 784 HA THR 105 HA THR 105 11.806 16.985 -25.358 785 HB THR 105 HB THR 105 13.607 15.673 -26.410 786 HG1 THR 105 HG1 THR 105 15.601 15.540 -25.286 787 HG21 THR 105 HG21 THR 105 15.270 17.438 -26.657 788 HG22 THR 105 HG22 THR 105 13.644 18.152 -26.613 789 HG23 THR 105 HG23 THR 105 14.695 18.240 -25.176 790 H MET 106 H MET 106 11.112 14.847 -26.108 791 HA MET 106 HA MET 106 10.078 13.314 -23.913 792 HB2 MET 106 HB2 MET 106 10.160 12.794 -26.908 793 HB3 MET 106 HB3 MET 106 9.234 11.823 -25.743 794 HG2 MET 106 HG2 MET 106 7.979 13.817 -25.054 795 HG3 MET 106 HG3 MET 106 8.900 14.808 -26.192 796 HE1 MET 106 HE1 MET 106 6.693 15.789 -27.147 797 HE2 MET 106 HE2 MET 106 5.339 14.808 -27.765 798 HE3 MET 106 HE3 MET 106 5.737 14.792 -26.030 799 H ASP 107 H ASP 107 12.969 12.973 -25.944 800 HA ASP 107 HA ASP 107 13.369 10.188 -25.112 801 HB2 ASP 107 HB2 ASP 107 13.972 10.958 -27.367 802 HB3 ASP 107 HB3 ASP 107 15.129 12.106 -26.672 803 H GLY 108 H GLY 108 14.569 13.426 -24.206 804 HA2 GLY 108 HA2 GLY 108 16.850 12.395 -22.741 805 HA3 GLY 108 HA3 GLY 108 16.245 14.060 -22.763 806 H VAL 109 H VAL 109 13.533 13.520 -21.841 807 HA VAL 109 HA VAL 109 14.213 13.246 -19.008 808 HB VAL 109 HB VAL 109 11.578 13.927 -20.347 809 HG11 VAL 109 HG11 VAL 109 12.562 14.170 -17.466 810 HG12 VAL 109 HG12 VAL 109 11.060 14.892 -18.081 811 HG13 VAL 109 HG13 VAL 109 11.242 13.129 -18.049 812 HG21 VAL 109 HG21 VAL 109 13.780 15.668 -19.142 813 HG22 VAL 109 HG22 VAL 109 13.340 15.572 -20.864 814 HG23 VAL 109 HG23 VAL 109 12.197 16.253 -19.694 815 H ALA 110 H ALA 110 12.779 11.223 -21.525 816 HA ALA 110 HA ALA 110 11.396 9.474 -19.685 817 HB1 ALA 110 HB1 ALA 110 12.450 9.010 -22.507 818 HB2 ALA 110 HB2 ALA 110 11.347 7.929 -21.627 819 HB3 ALA 110 HB3 ALA 110 10.812 9.565 -22.060 820 H LYS 111 H LYS 111 14.738 9.739 -20.857 821 HA LYS 111 HA LYS 111 15.510 7.157 -19.746 822 HB2 LYS 111 HB2 LYS 111 16.654 8.180 -21.694 823 HB3 LYS 111 HB3 LYS 111 17.151 9.550 -20.693 824 HG2 LYS 111 HG2 LYS 111 19.001 7.977 -20.948 825 HG3 LYS 111 HG3 LYS 111 18.491 8.033 -19.257 826 HD2 LYS 111 HD2 LYS 111 17.229 5.934 -19.537 827 HD3 LYS 111 HD3 LYS 111 17.630 5.909 -21.272 828 HE2 LYS 111 HE2 LYS 111 20.036 5.773 -20.703 829 HE3 LYS 111 HE3 LYS 111 19.634 5.810 -18.977 830 HZ1 LYS 111 HZ1 LYS 111 18.428 3.758 -19.280 831 HZ2 LYS 111 HZ2 LYS 111 18.799 3.724 -20.884 832 HZ3 LYS 111 HZ3 LYS 111 19.987 3.576 -19.761 833 H ALA 112 H ALA 112 15.407 10.533 -18.674 834 HA ALA 112 HA ALA 112 16.986 10.032 -16.284 835 HB1 ALA 112 HB1 ALA 112 16.347 12.345 -15.722 836 HB2 ALA 112 HB2 ALA 112 16.918 12.227 -17.407 837 HB3 ALA 112 HB3 ALA 112 15.179 12.357 -17.063 838 H LEU 113 H LEU 113 13.568 9.853 -17.171 839 HA LEU 113 HA LEU 113 12.594 9.849 -14.452 840 HB2 LEU 113 HB2 LEU 113 11.291 10.510 -16.437 841 HB3 LEU 113 HB3 LEU 113 11.355 8.864 -17.058 842 HG LEU 113 HG LEU 113 9.210 9.641 -15.943 843 HD11 LEU 113 HD11 LEU 113 9.760 7.248 -16.356 844 HD12 LEU 113 HD12 LEU 113 10.415 7.142 -14.701 845 HD13 LEU 113 HD13 LEU 113 8.700 7.516 -14.963 846 HD21 LEU 113 HD21 LEU 113 10.261 10.794 -14.012 847 HD22 LEU 113 HD22 LEU 113 9.058 9.589 -13.522 848 HD23 LEU 113 HD23 LEU 113 10.789 9.215 -13.377 849 H ALA 114 H ALA 114 13.594 7.363 -16.837 850 HA ALA 114 HA ALA 114 12.879 5.125 -15.168 851 HB1 ALA 114 HB1 ALA 114 14.855 5.366 -17.477 852 HB2 ALA 114 HB2 ALA 114 14.220 3.851 -16.799 853 HB3 ALA 114 HB3 ALA 114 13.122 4.983 -17.618 854 H ALA 115 H ALA 115 15.628 7.326 -15.301 855 HA ALA 115 HA ALA 115 17.300 5.592 -13.628 856 HB1 ALA 115 HB1 ALA 115 18.901 7.456 -13.798 857 HB2 ALA 115 HB2 ALA 115 18.297 6.994 -15.402 858 HB3 ALA 115 HB3 ALA 115 17.667 8.452 -14.604 859 H LEU 116 H LEU 116 14.764 7.868 -13.160 860 HA LEU 116 HA LEU 116 15.680 8.696 -10.480 861 HB2 LEU 116 HB2 LEU 116 14.717 10.326 -11.983 862 HB3 LEU 116 HB3 LEU 116 13.260 9.363 -12.203 863 HG LEU 116 HG LEU 116 14.043 10.299 -9.427 864 HD11 LEU 116 HD11 LEU 116 12.541 11.918 -11.534 865 HD12 LEU 116 HD12 LEU 116 12.769 12.373 -9.828 866 HD13 LEU 116 HD13 LEU 116 14.167 12.278 -10.923 867 HD21 LEU 116 HD21 LEU 116 12.061 8.759 -9.694 868 HD22 LEU 116 HD22 LEU 116 11.579 10.374 -9.145 869 HD23 LEU 116 HD23 LEU 116 11.357 9.917 -10.845 870 H LEU 117 H LEU 117 13.500 6.386 -12.018 871 HA LEU 117 HA LEU 117 11.975 5.956 -9.584 872 HB2 LEU 117 HB2 LEU 117 11.071 5.928 -11.930 873 HB3 LEU 117 HB3 LEU 117 11.943 4.421 -12.208 874 HG LEU 117 HG LEU 117 10.583 3.286 -10.484 875 HD11 LEU 117 HD11 LEU 117 9.318 6.040 -10.109 876 HD12 LEU 117 HD12 LEU 117 8.629 4.522 -9.496 877 HD13 LEU 117 HD13 LEU 117 10.196 5.083 -8.890 878 HD21 LEU 117 HD21 LEU 117 9.739 3.410 -12.787 879 HD22 LEU 117 HD22 LEU 117 8.406 3.435 -11.618 880 HD23 LEU 117 HD23 LEU 117 8.914 4.945 -12.420 881 H VAL 118 H VAL 118 15.049 5.162 -10.182 882 HA VAL 118 HA VAL 118 14.862 2.608 -8.684 883 HB VAL 118 HB VAL 118 15.174 2.093 -11.065 884 HG11 VAL 118 HG11 VAL 118 16.376 4.157 -11.749 885 HG12 VAL 118 HG12 VAL 118 17.803 3.619 -10.828 886 HG13 VAL 118 HG13 VAL 118 17.240 2.684 -12.229 887 HG21 VAL 118 HG21 VAL 118 16.158 0.644 -9.316 888 HG22 VAL 118 HG22 VAL 118 17.132 0.645 -10.798 889 HG23 VAL 118 HG23 VAL 118 17.665 1.584 -9.385 Start of MODEL 18 1 H1 MET 1 H1 NME 1 4.671 0.834 1.553 2 H2 MET 1 H2 NME 1 3.114 0.392 1.264 3 H3 MET 1 H3 NME 1 3.750 0.218 2.769 4 HA MET 1 HA NME 1 2.285 2.081 2.715 5 HB2 MET 1 HB2 NME 1 5.213 2.872 2.937 6 HB3 MET 1 HB3 NME 1 3.845 3.839 3.512 7 HG2 MET 1 HG2 NME 1 4.587 1.049 4.471 8 HG3 MET 1 HG3 NME 1 4.837 2.565 5.346 9 HE1 MET 1 HE1 NME 1 2.123 0.811 7.504 10 HE2 MET 1 HE2 NME 1 3.442 0.015 6.606 11 HE3 MET 1 HE3 NME 1 3.732 1.555 7.457 12 H SER 2 H SER 2 5.184 2.911 0.712 13 HA SER 2 HA SER 2 3.414 4.017 -1.371 14 HB2 SER 2 HB2 SER 2 4.616 6.166 -1.369 15 HB3 SER 2 HB3 SER 2 3.775 5.895 0.173 16 HG SER 2 HG SER 2 5.941 6.622 0.453 17 H ALA 3 H ALA 3 4.809 4.773 -3.267 18 HA ALA 3 HA ALA 3 7.426 3.422 -3.470 19 HB1 ALA 3 HB1 ALA 3 5.088 2.834 -5.330 20 HB2 ALA 3 HB2 ALA 3 6.755 2.253 -5.522 21 HB3 ALA 3 HB3 ALA 3 5.780 1.699 -4.138 22 H LEU 4 H LEU 4 8.186 3.788 -5.892 23 HA LEU 4 HA LEU 4 8.346 6.622 -6.217 24 HB2 LEU 4 HB2 LEU 4 9.332 4.260 -7.857 25 HB3 LEU 4 HB3 LEU 4 9.673 5.940 -8.307 26 HG LEU 4 HG LEU 4 10.433 4.763 -5.608 27 HD11 LEU 4 HD11 LEU 4 12.710 4.695 -6.477 28 HD12 LEU 4 HD12 LEU 4 11.661 3.695 -7.513 29 HD13 LEU 4 HD13 LEU 4 12.162 5.322 -8.044 30 HD21 LEU 4 HD21 LEU 4 10.173 7.244 -5.679 31 HD22 LEU 4 HD22 LEU 4 11.887 6.796 -5.553 32 HD23 LEU 4 HD23 LEU 4 11.221 7.297 -7.121 33 H THR 5 H THR 5 5.575 5.443 -6.557 34 HA THR 5 HA THR 5 5.015 6.188 -9.358 35 HB THR 5 HB THR 5 2.600 5.665 -8.382 36 HG1 THR 5 HG1 THR 5 2.791 4.023 -6.799 37 HG21 THR 5 HG21 THR 5 4.707 3.556 -8.984 38 HG22 THR 5 HG22 THR 5 2.945 3.297 -9.031 39 HG23 THR 5 HG23 THR 5 3.705 4.430 -10.171 40 H GLN 6 H GLN 6 5.277 7.659 -6.293 41 HA GLN 6 HA GLN 6 3.513 9.877 -7.178 42 HB2 GLN 6 HB2 GLN 6 4.509 8.994 -4.428 43 HB3 GLN 6 HB3 GLN 6 3.722 10.519 -4.710 44 HG2 GLN 6 HG2 GLN 6 1.898 9.155 -4.099 45 HG3 GLN 6 HG3 GLN 6 1.848 9.041 -5.874 46 HE21 GLN 6 HE21 GLN 6 1.626 5.563 -5.452 47 HE22 GLN 6 HE22 GLN 6 0.824 7.035 -5.958 48 H ILE 7 H ILE 7 4.716 11.269 -8.314 49 HA ILE 7 HA ILE 7 7.324 12.128 -7.140 50 HB ILE 7 HB ILE 7 6.516 12.207 -10.063 51 HG12 ILE 7 HG12 ILE 7 6.620 9.868 -9.424 52 HG13 ILE 7 HG13 ILE 7 8.015 10.294 -10.416 53 HG21 ILE 7 HG21 ILE 7 8.953 12.543 -10.392 54 HG22 ILE 7 HG22 ILE 7 8.210 13.836 -9.425 55 HG23 ILE 7 HG23 ILE 7 9.176 12.576 -8.625 56 HD11 ILE 7 HD11 ILE 7 8.626 8.835 -8.515 57 HD12 ILE 7 HD12 ILE 7 9.437 10.415 -8.408 58 HD13 ILE 7 HD13 ILE 7 8.032 10.053 -7.373 59 H LEU 8 H LEU 8 7.368 14.178 -6.430 60 HA LEU 8 HA LEU 8 5.193 16.010 -7.189 61 HB2 LEU 8 HB2 LEU 8 6.490 15.587 -4.851 62 HB3 LEU 8 HB3 LEU 8 7.473 16.901 -5.469 63 HG LEU 8 HG LEU 8 4.449 16.922 -5.052 64 HD11 LEU 8 HD11 LEU 8 6.720 18.289 -3.554 65 HD12 LEU 8 HD12 LEU 8 4.982 18.508 -3.232 66 HD13 LEU 8 HD13 LEU 8 5.737 16.925 -2.964 67 HD21 LEU 8 HD21 LEU 8 4.695 19.416 -5.346 68 HD22 LEU 8 HD22 LEU 8 6.339 19.130 -5.966 69 HD23 LEU 8 HD23 LEU 8 4.905 18.491 -6.833 70 H ILE 9 H ILE 9 5.497 17.982 -8.283 71 HA ILE 9 HA ILE 9 8.023 18.205 -9.852 72 HB ILE 9 HB ILE 9 5.161 19.045 -10.419 73 HG12 ILE 9 HG12 ILE 9 6.963 17.116 -11.932 74 HG13 ILE 9 HG13 ILE 9 5.824 16.594 -10.681 75 HG21 ILE 9 HG21 ILE 9 7.654 19.464 -12.123 76 HG22 ILE 9 HG22 ILE 9 5.983 19.854 -12.599 77 HG23 ILE 9 HG23 ILE 9 6.755 20.742 -11.279 78 HD11 ILE 9 HD11 ILE 9 5.041 18.089 -13.221 79 HD12 ILE 9 HD12 ILE 9 4.843 16.351 -12.915 80 HD13 ILE 9 HD13 ILE 9 3.944 17.531 -11.938 81 H VAL 10 H VAL 10 9.289 19.931 -9.479 82 HA VAL 10 HA VAL 10 8.069 22.384 -8.305 83 HB VAL 10 HB VAL 10 10.787 21.246 -7.539 84 HG11 VAL 10 HG11 VAL 10 9.092 23.504 -6.386 85 HG12 VAL 10 HG12 VAL 10 10.658 22.949 -5.751 86 HG13 VAL 10 HG13 VAL 10 10.572 23.696 -7.356 87 HG21 VAL 10 HG21 VAL 10 9.083 19.749 -6.637 88 HG22 VAL 10 HG22 VAL 10 9.753 20.741 -5.331 89 HG23 VAL 10 HG23 VAL 10 8.154 21.129 -6.013 90 H GLU 11 H GLU 11 8.492 24.126 -9.581 91 HA GLU 11 HA GLU 11 10.905 24.089 -11.298 92 HB2 GLU 11 HB2 GLU 11 8.777 23.047 -12.381 93 HB3 GLU 11 HB3 GLU 11 8.186 24.714 -12.459 94 HG2 GLU 11 HG2 GLU 11 9.265 24.085 -14.559 95 HG3 GLU 11 HG3 GLU 11 10.230 25.338 -13.761 96 H ASP 12 H ASP 12 11.251 26.241 -12.407 97 HA ASP 12 HA ASP 12 10.655 28.374 -10.467 98 HB2 ASP 12 HB2 ASP 12 12.480 29.541 -11.480 99 HB3 ASP 12 HB3 ASP 12 12.992 27.867 -11.243 100 H GLU 13 H GLU 13 9.373 27.268 -13.438 101 HA GLU 13 HA GLU 13 8.061 29.881 -13.882 102 HB2 GLU 13 HB2 GLU 13 10.128 29.778 -15.291 103 HB3 GLU 13 HB3 GLU 13 9.490 28.311 -16.066 104 HG2 GLU 13 HG2 GLU 13 7.549 29.612 -16.895 105 HG3 GLU 13 HG3 GLU 13 8.161 31.055 -16.068 106 HA PRO 14 HA PRO 14 4.703 27.064 -14.133 107 HB2 PRO 14 HB2 PRO 14 2.743 28.660 -15.192 108 HB3 PRO 14 HB3 PRO 14 3.385 28.863 -13.532 109 HG2 PRO 14 HG2 PRO 14 4.226 30.338 -16.048 110 HG3 PRO 14 HG3 PRO 14 3.752 31.042 -14.463 111 HD2 PRO 14 HD2 PRO 14 6.356 30.669 -15.091 112 HD3 PRO 14 HD3 PRO 14 5.774 30.297 -13.439 113 H LEU 15 H LEU 15 6.069 28.546 -17.014 114 HA LEU 15 HA LEU 15 4.386 27.042 -18.866 115 HB2 LEU 15 HB2 LEU 15 7.044 28.465 -19.288 116 HB3 LEU 15 HB3 LEU 15 5.970 27.869 -20.565 117 HG LEU 15 HG LEU 15 5.291 30.037 -18.534 118 HD11 LEU 15 HD11 LEU 15 5.855 30.157 -21.527 119 HD12 LEU 15 HD12 LEU 15 5.371 31.527 -20.501 120 HD13 LEU 15 HD13 LEU 15 6.936 30.735 -20.238 121 HD21 LEU 15 HD21 LEU 15 3.715 28.948 -20.914 122 HD22 LEU 15 HD22 LEU 15 3.271 28.783 -19.200 123 HD23 LEU 15 HD23 LEU 15 3.280 30.385 -19.959 124 H ILE 16 H ILE 16 7.610 26.660 -17.354 125 HA ILE 16 HA ILE 16 8.146 24.208 -18.828 126 HB ILE 16 HB ILE 16 9.462 25.377 -16.346 127 HG12 ILE 16 HG12 ILE 16 9.616 26.950 -18.206 128 HG13 ILE 16 HG13 ILE 16 11.187 26.226 -17.873 129 HG21 ILE 16 HG21 ILE 16 10.370 23.223 -18.302 130 HG22 ILE 16 HG22 ILE 16 11.396 23.955 -17.047 131 HG23 ILE 16 HG23 ILE 16 9.972 23.004 -16.585 132 HD11 ILE 16 HD11 ILE 16 9.300 25.395 -20.127 133 HD12 ILE 16 HD12 ILE 16 10.763 26.379 -20.296 134 HD13 ILE 16 HD13 ILE 16 10.896 24.683 -19.791 135 H ALA 17 H ALA 17 6.545 25.158 -15.812 136 HA ALA 17 HA ALA 17 6.509 22.556 -14.616 137 HB1 ALA 17 HB1 ALA 17 6.013 24.676 -13.402 138 HB2 ALA 17 HB2 ALA 17 4.533 24.865 -14.368 139 HB3 ALA 17 HB3 ALA 17 4.695 23.497 -13.246 140 H MET 18 H MET 18 4.580 24.105 -17.174 141 HA MET 18 HA MET 18 2.533 22.030 -17.162 142 HB2 MET 18 HB2 MET 18 3.291 24.233 -19.106 143 HB3 MET 18 HB3 MET 18 1.975 23.081 -19.411 144 HG2 MET 18 HG2 MET 18 0.841 23.758 -17.367 145 HG3 MET 18 HG3 MET 18 2.165 24.856 -16.952 146 HE1 MET 18 HE1 MET 18 -0.726 27.337 -17.698 147 HE2 MET 18 HE2 MET 18 -0.844 25.739 -16.924 148 HE3 MET 18 HE3 MET 18 0.522 26.811 -16.544 149 H MET 19 H MET 19 5.706 22.498 -18.699 150 HA MET 19 HA MET 19 5.353 20.302 -20.569 151 HB2 MET 19 HB2 MET 19 7.854 21.636 -19.453 152 HB3 MET 19 HB3 MET 19 7.841 20.405 -20.726 153 HG2 MET 19 HG2 MET 19 6.388 21.868 -22.117 154 HG3 MET 19 HG3 MET 19 6.459 23.109 -20.863 155 HE1 MET 19 HE1 MET 19 8.394 21.093 -23.587 156 HE2 MET 19 HE2 MET 19 10.048 21.738 -23.459 157 HE3 MET 19 HE3 MET 19 9.389 20.719 -22.161 158 H LEU 20 H LEU 20 6.459 20.617 -17.189 159 HA LEU 20 HA LEU 20 7.498 17.937 -17.010 160 HB2 LEU 20 HB2 LEU 20 6.879 20.215 -15.197 161 HB3 LEU 20 HB3 LEU 20 6.737 18.619 -14.455 162 HG LEU 20 HG LEU 20 8.995 19.682 -14.203 163 HD11 LEU 20 HD11 LEU 20 8.852 17.041 -15.701 164 HD12 LEU 20 HD12 LEU 20 10.218 17.607 -14.701 165 HD13 LEU 20 HD13 LEU 20 8.641 17.280 -13.955 166 HD21 LEU 20 HD21 LEU 20 9.128 20.725 -16.441 167 HD22 LEU 20 HD22 LEU 20 10.528 19.702 -16.090 168 HD23 LEU 20 HD23 LEU 20 9.254 19.113 -17.183 169 H GLU 21 H GLU 21 4.260 19.356 -16.650 170 HA GLU 21 HA GLU 21 3.135 16.863 -15.626 171 HB2 GLU 21 HB2 GLU 21 1.878 19.421 -16.679 172 HB3 GLU 21 HB3 GLU 21 0.970 18.063 -15.987 173 HG2 GLU 21 HG2 GLU 21 2.224 18.278 -13.867 174 HG3 GLU 21 HG3 GLU 21 3.132 19.639 -14.525 175 H ASP 22 H ASP 22 3.886 18.213 -18.775 176 HA ASP 22 HA ASP 22 1.965 16.580 -20.211 177 HB2 ASP 22 HB2 ASP 22 2.833 18.733 -21.071 178 HB3 ASP 22 HB3 ASP 22 4.458 18.037 -21.173 179 H PHE 23 H PHE 23 5.507 16.357 -19.471 180 HA PHE 23 HA PHE 23 5.721 13.788 -20.799 181 HB2 PHE 23 HB2 PHE 23 7.487 15.392 -18.941 182 HB3 PHE 23 HB3 PHE 23 7.893 13.737 -19.407 183 HD1 PHE 23 HD1 PHE 23 8.127 13.143 -21.850 184 HD2 PHE 23 HD2 PHE 23 7.996 17.210 -20.450 185 HE1 PHE 23 HE1 PHE 23 9.144 13.916 -23.978 186 HE2 PHE 23 HE2 PHE 23 8.996 17.972 -22.581 187 HZ PHE 23 HZ PHE 23 9.573 16.328 -24.347 188 H LEU 24 H LEU 24 4.544 14.842 -17.668 189 HA LEU 24 HA LEU 24 4.997 12.362 -16.289 190 HB2 LEU 24 HB2 LEU 24 4.447 14.637 -15.287 191 HB3 LEU 24 HB3 LEU 24 2.784 14.401 -15.853 192 HG LEU 24 HG LEU 24 2.773 12.224 -14.497 193 HD11 LEU 24 HD11 LEU 24 5.219 11.962 -14.240 194 HD12 LEU 24 HD12 LEU 24 5.304 13.511 -13.369 195 HD13 LEU 24 HD13 LEU 24 4.444 12.132 -12.650 196 HD21 LEU 24 HD21 LEU 24 2.396 13.409 -12.370 197 HD22 LEU 24 HD22 LEU 24 3.209 14.854 -13.018 198 HD23 LEU 24 HD23 LEU 24 1.674 14.291 -13.728 199 H GLU 25 H GLU 25 2.563 13.534 -18.586 200 HA GLU 25 HA GLU 25 0.743 11.307 -18.051 201 HB2 GLU 25 HB2 GLU 25 -0.040 13.594 -18.600 202 HB3 GLU 25 HB3 GLU 25 0.710 13.460 -20.201 203 HG2 GLU 25 HG2 GLU 25 -0.754 11.546 -20.738 204 HG3 GLU 25 HG3 GLU 25 -1.449 11.602 -19.112 205 H VAL 26 H VAL 26 3.323 12.115 -20.358 206 HA VAL 26 HA VAL 26 2.640 10.039 -22.255 207 HB VAL 26 HB VAL 26 5.183 11.620 -21.726 208 HG11 VAL 26 HG11 VAL 26 5.880 10.873 -23.998 209 HG12 VAL 26 HG12 VAL 26 5.814 9.529 -22.848 210 HG13 VAL 26 HG13 VAL 26 4.506 9.747 -24.038 211 HG21 VAL 26 HG21 VAL 26 3.188 12.902 -22.545 212 HG22 VAL 26 HG22 VAL 26 4.492 12.839 -23.750 213 HG23 VAL 26 HG23 VAL 26 3.067 11.791 -23.918 214 H LEU 27 H LEU 27 4.346 10.128 -19.190 215 HA LEU 27 HA LEU 27 5.385 7.387 -19.594 216 HB2 LEU 27 HB2 LEU 27 5.875 9.610 -17.620 217 HB3 LEU 27 HB3 LEU 27 6.209 7.947 -17.137 218 HG LEU 27 HG LEU 27 8.194 9.138 -18.009 219 HD11 LEU 27 HD11 LEU 27 8.016 6.668 -18.052 220 HD12 LEU 27 HD12 LEU 27 7.337 6.748 -19.694 221 HD13 LEU 27 HD13 LEU 27 9.000 7.298 -19.390 222 HD21 LEU 27 HD21 LEU 27 8.484 9.503 -20.399 223 HD22 LEU 27 HD22 LEU 27 6.835 8.946 -20.733 224 HD23 LEU 27 HD23 LEU 27 7.098 10.450 -19.820 225 H ASP 28 H ASP 28 2.430 8.525 -18.958 226 HA ASP 28 HA ASP 28 0.630 7.861 -17.770 227 HB2 ASP 28 HB2 ASP 28 1.078 5.928 -19.268 228 HB3 ASP 28 HB3 ASP 28 1.963 5.139 -17.956 229 H LYS 29 H LYS 29 2.582 9.006 -16.159 230 HA LYS 29 HA LYS 29 2.963 7.361 -13.773 231 HB2 LYS 29 HB2 LYS 29 4.285 9.477 -15.060 232 HB3 LYS 29 HB3 LYS 29 3.632 10.208 -13.586 233 HG2 LYS 29 HG2 LYS 29 5.336 7.682 -13.709 234 HG3 LYS 29 HG3 LYS 29 5.931 9.303 -13.294 235 HD2 LYS 29 HD2 LYS 29 4.300 9.367 -11.387 236 HD3 LYS 29 HD3 LYS 29 3.908 7.661 -11.720 237 HE2 LYS 29 HE2 LYS 29 6.685 8.739 -11.119 238 HE3 LYS 29 HE3 LYS 29 5.622 7.957 -9.946 239 HZ1 LYS 29 HZ1 LYS 29 6.726 6.739 -12.406 240 HZ2 LYS 29 HZ2 LYS 29 7.157 6.391 -10.855 241 HZ3 LYS 29 HZ3 LYS 29 5.661 5.992 -11.403 242 H THR 30 H THR 30 2.280 8.143 -11.586 243 HA THR 30 HA THR 30 -0.446 9.245 -11.742 244 HB THR 30 HB THR 30 1.088 7.991 -9.436 245 HG1 THR 30 HG1 THR 30 -0.305 6.267 -9.917 246 HG21 THR 30 HG21 THR 30 -0.655 9.531 -8.633 247 HG22 THR 30 HG22 THR 30 -1.840 8.778 -9.724 248 HG23 THR 30 HG23 THR 30 -1.141 7.844 -8.378 249 HA PRO 31 HA PRO 31 1.287 13.195 -10.474 250 HB2 PRO 31 HB2 PRO 31 -0.971 14.687 -10.538 251 HB3 PRO 31 HB3 PRO 31 -0.238 14.041 -12.046 252 HG2 PRO 31 HG2 PRO 31 -2.520 12.850 -10.434 253 HG3 PRO 31 HG3 PRO 31 -2.466 13.171 -12.195 254 HD2 PRO 31 HD2 PRO 31 -1.892 10.717 -11.144 255 HD3 PRO 31 HD3 PRO 31 -1.024 11.345 -12.582 256 H VAL 32 H VAL 32 1.280 14.522 -8.593 257 HA VAL 32 HA VAL 32 -0.537 13.726 -6.390 258 HB VAL 32 HB VAL 32 1.335 13.496 -4.829 259 HG11 VAL 32 HG11 VAL 32 1.830 11.714 -7.249 260 HG12 VAL 32 HG12 VAL 32 2.192 11.363 -5.549 261 HG13 VAL 32 HG13 VAL 32 0.502 11.479 -6.083 262 HG21 VAL 32 HG21 VAL 32 3.654 13.272 -5.714 263 HG22 VAL 32 HG22 VAL 32 3.088 13.861 -7.290 264 HG23 VAL 32 HG23 VAL 32 3.027 14.931 -5.866 265 H GLY 33 H GLY 33 1.512 16.084 -7.988 266 HA2 GLY 33 HA2 GLY 33 0.108 18.297 -7.181 267 HA3 GLY 33 HA3 GLY 33 1.322 18.096 -5.905 268 H THR 34 H THR 34 1.204 20.340 -7.534 269 HA THR 34 HA THR 34 3.916 20.262 -8.710 270 HB THR 34 HB THR 34 1.482 21.443 -10.115 271 HG1 THR 34 HG1 THR 34 1.785 19.831 -11.573 272 HG21 THR 34 HG21 THR 34 3.104 21.884 -11.955 273 HG22 THR 34 HG22 THR 34 3.494 22.800 -10.487 274 HG23 THR 34 HG23 THR 34 4.428 21.339 -10.897 275 H VAL 35 H VAL 35 5.047 22.102 -8.155 276 HA VAL 35 HA VAL 35 3.543 24.365 -6.958 277 HB VAL 35 HB VAL 35 5.042 24.335 -4.992 278 HG11 VAL 35 HG11 VAL 35 3.531 21.713 -5.378 279 HG12 VAL 35 HG12 VAL 35 4.010 22.424 -3.830 280 HG13 VAL 35 HG13 VAL 35 2.814 23.253 -4.850 281 HG21 VAL 35 HG21 VAL 35 5.917 21.612 -6.051 282 HG22 VAL 35 HG22 VAL 35 6.928 23.076 -5.988 283 HG23 VAL 35 HG23 VAL 35 6.366 22.313 -4.484 284 H ASP 36 H ASP 36 4.901 26.260 -6.558 285 HA ASP 36 HA ASP 36 7.303 26.397 -8.303 286 HB2 ASP 36 HB2 ASP 36 4.950 28.330 -8.336 287 HB3 ASP 36 HB3 ASP 36 6.450 28.508 -9.257 288 H THR 37 H THR 37 6.186 26.743 -5.234 289 HA THR 37 HA THR 37 8.142 28.880 -4.616 290 HB THR 37 HB THR 37 6.575 29.903 -3.027 291 HG1 THR 37 HG1 THR 37 4.380 29.245 -3.153 292 HG21 THR 37 HG21 THR 37 6.668 30.787 -5.351 293 HG22 THR 37 HG22 THR 37 5.326 29.701 -5.799 294 HG23 THR 37 HG23 THR 37 5.070 30.992 -4.604 295 H VAL 38 H VAL 38 8.739 28.904 -2.294 296 HA VAL 38 HA VAL 38 9.299 26.227 -1.388 297 HB VAL 38 HB VAL 38 9.617 28.933 -0.016 298 HG11 VAL 38 HG11 VAL 38 10.892 26.221 0.569 299 HG12 VAL 38 HG12 VAL 38 11.356 27.755 1.332 300 HG13 VAL 38 HG13 VAL 38 9.738 27.083 1.611 301 HG21 VAL 38 HG21 VAL 38 10.851 28.806 -2.143 302 HG22 VAL 38 HG22 VAL 38 11.973 28.755 -0.771 303 HG23 VAL 38 HG23 VAL 38 11.578 27.258 -1.644 304 H ALA 39 H ALA 39 6.851 28.685 -0.568 305 HA ALA 39 HA ALA 39 5.981 27.278 1.820 306 HB1 ALA 39 HB1 ALA 39 4.689 29.497 0.182 307 HB2 ALA 39 HB2 ALA 39 4.172 28.961 1.799 308 HB3 ALA 39 HB3 ALA 39 5.770 29.711 1.580 309 H GLY 40 H GLY 40 5.138 27.257 -1.636 310 HA2 GLY 40 HA2 GLY 40 2.667 25.782 -1.278 311 HA3 GLY 40 HA3 GLY 40 3.561 26.051 -2.791 312 H ALA 41 H ALA 41 6.116 24.986 -1.784 313 HA ALA 41 HA ALA 41 5.690 22.209 -2.395 314 HB1 ALA 41 HB1 ALA 41 8.107 22.024 -1.942 315 HB2 ALA 41 HB2 ALA 41 7.765 23.452 -2.946 316 HB3 ALA 41 HB3 ALA 41 8.109 23.650 -1.217 317 H LEU 42 H LEU 42 6.070 24.047 0.654 318 HA LEU 42 HA LEU 42 6.249 21.647 2.264 319 HB2 LEU 42 HB2 LEU 42 7.185 23.829 2.959 320 HB3 LEU 42 HB3 LEU 42 5.564 24.533 2.960 321 HG LEU 42 HG LEU 42 4.883 23.003 4.779 322 HD11 LEU 42 HD11 LEU 42 7.783 22.062 4.656 323 HD12 LEU 42 HD12 LEU 42 6.626 21.657 5.945 324 HD13 LEU 42 HD13 LEU 42 6.346 21.078 4.293 325 HD21 LEU 42 HD21 LEU 42 5.863 25.203 5.310 326 HD22 LEU 42 HD22 LEU 42 6.300 23.995 6.548 327 HD23 LEU 42 HD23 LEU 42 7.490 24.486 5.326 328 H ALA 43 H ALA 43 3.637 23.623 0.925 329 HA ALA 43 HA ALA 43 1.627 22.654 2.754 330 HB1 ALA 43 HB1 ALA 43 1.391 24.019 0.043 331 HB2 ALA 43 HB2 ALA 43 0.082 23.809 1.229 332 HB3 ALA 43 HB3 ALA 43 1.475 24.839 1.621 333 H ARG 44 H ARG 44 2.928 21.495 -0.356 334 HA ARG 44 HA ARG 44 0.697 19.588 -0.642 335 HB2 ARG 44 HB2 ARG 44 3.217 20.108 -2.265 336 HB3 ARG 44 HB3 ARG 44 2.051 18.839 -2.643 337 HG2 ARG 44 HG2 ARG 44 1.500 21.836 -2.588 338 HG3 ARG 44 HG3 ARG 44 1.606 20.799 -4.017 339 HD2 ARG 44 HD2 ARG 44 -0.510 20.735 -1.840 340 HD3 ARG 44 HD3 ARG 44 -0.730 21.186 -3.531 341 HE ARG 44 HE ARG 44 -0.160 18.805 -4.116 342 HH11 ARG 44 HH11 ARG 44 -1.493 19.591 -0.928 343 HH12 ARG 44 HH12 ARG 44 -2.050 17.969 -0.630 344 HH21 ARG 44 HH21 ARG 44 -0.931 16.702 -3.716 345 HH22 ARG 44 HH22 ARG 44 -1.787 16.356 -2.230 346 H VAL 45 H VAL 45 3.966 19.614 0.671 347 HA VAL 45 HA VAL 45 4.137 16.694 0.626 348 HB VAL 45 HB VAL 45 5.906 18.892 1.741 349 HG11 VAL 45 HG11 VAL 45 6.376 15.879 1.669 350 HG12 VAL 45 HG12 VAL 45 7.621 17.103 2.011 351 HG13 VAL 45 HG13 VAL 45 6.252 16.897 3.125 352 HG21 VAL 45 HG21 VAL 45 6.246 16.934 -0.577 353 HG22 VAL 45 HG22 VAL 45 5.770 18.637 -0.749 354 HG23 VAL 45 HG23 VAL 45 7.374 18.225 -0.116 355 H GLU 46 H GLU 46 2.830 19.115 2.813 356 HA GLU 46 HA GLU 46 3.266 17.434 5.150 357 HB2 GLU 46 HB2 GLU 46 3.286 19.960 5.120 358 HB3 GLU 46 HB3 GLU 46 1.523 19.908 4.921 359 HG2 GLU 46 HG2 GLU 46 2.161 20.206 7.284 360 HG3 GLU 46 HG3 GLU 46 1.332 18.658 7.060 361 H ASP 47 H ASP 47 0.679 17.744 2.767 362 HA ASP 47 HA ASP 47 -0.880 15.844 4.464 363 HB2 ASP 47 HB2 ASP 47 -2.931 16.719 3.625 364 HB3 ASP 47 HB3 ASP 47 -1.984 18.051 4.296 365 H GLY 48 H GLY 48 0.779 16.304 1.497 366 HA2 GLY 48 HA2 GLY 48 -0.703 14.214 0.057 367 HA3 GLY 48 HA3 GLY 48 0.710 15.122 -0.505 368 H GLY 49 H GLY 49 1.340 12.887 -1.224 369 HA2 GLY 49 HA2 GLY 49 3.221 11.808 0.755 370 HA3 GLY 49 HA3 GLY 49 2.012 10.669 0.139 371 H ILE 50 H ILE 50 5.060 11.096 -0.215 372 HA ILE 50 HA ILE 50 5.138 10.555 -3.111 373 HB ILE 50 HB ILE 50 7.145 12.113 -3.284 374 HG12 ILE 50 HG12 ILE 50 5.912 13.348 -0.786 375 HG13 ILE 50 HG13 ILE 50 7.463 12.486 -0.856 376 HG21 ILE 50 HG21 ILE 50 5.779 14.008 -3.883 377 HG22 ILE 50 HG22 ILE 50 4.936 12.507 -4.299 378 HG23 ILE 50 HG23 ILE 50 4.442 13.434 -2.854 379 HD11 ILE 50 HD11 ILE 50 6.753 15.069 -2.315 380 HD12 ILE 50 HD12 ILE 50 7.862 14.890 -0.939 381 HD13 ILE 50 HD13 ILE 50 8.280 14.187 -2.516 382 H ASP 51 H ASP 51 7.239 9.746 -3.803 383 HA ASP 51 HA ASP 51 8.864 8.662 -1.553 384 HB2 ASP 51 HB2 ASP 51 7.377 7.002 -2.933 385 HB3 ASP 51 HB3 ASP 51 8.544 7.272 -4.216 386 H ALA 52 H ALA 52 8.693 10.604 -4.354 387 HA ALA 52 HA ALA 52 11.468 11.361 -4.081 388 HB1 ALA 52 HB1 ALA 52 10.548 9.947 -6.622 389 HB2 ALA 52 HB2 ALA 52 12.073 10.851 -6.452 390 HB3 ALA 52 HB3 ALA 52 11.800 9.383 -5.499 391 H ALA 53 H ALA 53 11.919 13.257 -5.618 392 HA ALA 53 HA ALA 53 9.538 14.337 -6.971 393 HB1 ALA 53 HB1 ALA 53 10.917 15.792 -4.685 394 HB2 ALA 53 HB2 ALA 53 9.697 16.500 -5.773 395 HB3 ALA 53 HB3 ALA 53 9.252 15.164 -4.692 396 H ILE 54 H ILE 54 9.994 16.140 -8.362 397 HA ILE 54 HA ILE 54 12.809 16.226 -9.305 398 HB ILE 54 HB ILE 54 10.294 17.376 -10.573 399 HG12 ILE 54 HG12 ILE 54 9.967 14.982 -10.430 400 HG13 ILE 54 HG13 ILE 54 10.318 15.443 -12.097 401 HG21 ILE 54 HG21 ILE 54 12.368 18.398 -11.345 402 HG22 ILE 54 HG22 ILE 54 13.092 16.806 -11.651 403 HG23 ILE 54 HG23 ILE 54 11.708 17.363 -12.625 404 HD11 ILE 54 HD11 ILE 54 12.671 14.681 -11.810 405 HD12 ILE 54 HD12 ILE 54 12.289 14.188 -10.140 406 HD13 ILE 54 HD13 ILE 54 11.499 13.386 -11.510 407 H LEU 55 H LEU 55 14.061 17.945 -8.714 408 HA LEU 55 HA LEU 55 12.646 20.324 -7.577 409 HB2 LEU 55 HB2 LEU 55 15.082 18.767 -6.704 410 HB3 LEU 55 HB3 LEU 55 14.946 20.474 -6.314 411 HG LEU 55 HG LEU 55 14.227 18.958 -4.493 412 HD11 LEU 55 HD11 LEU 55 12.187 20.214 -3.934 413 HD12 LEU 55 HD12 LEU 55 13.427 21.288 -4.619 414 HD13 LEU 55 HD13 LEU 55 12.050 20.766 -5.617 415 HD21 LEU 55 HD21 LEU 55 11.757 18.412 -6.172 416 HD22 LEU 55 HD22 LEU 55 13.089 17.244 -5.954 417 HD23 LEU 55 HD23 LEU 55 12.138 17.793 -4.555 418 H ASP 56 H ASP 56 12.910 22.152 -8.677 419 HA ASP 56 HA ASP 56 15.076 22.648 -10.524 420 HB2 ASP 56 HB2 ASP 56 13.070 23.953 -10.761 421 HB3 ASP 56 HB3 ASP 56 13.057 24.368 -9.036 422 H VAL 57 H VAL 57 17.198 22.982 -9.931 423 HA VAL 57 HA VAL 57 17.636 23.409 -7.034 424 HB VAL 57 HB VAL 57 18.546 21.393 -8.151 425 HG11 VAL 57 HG11 VAL 57 20.425 23.391 -9.485 426 HG12 VAL 57 HG12 VAL 57 20.614 21.630 -9.492 427 HG13 VAL 57 HG13 VAL 57 19.218 22.370 -10.310 428 HG21 VAL 57 HG21 VAL 57 19.467 22.302 -6.041 429 HG22 VAL 57 HG22 VAL 57 20.711 21.509 -7.027 430 HG23 VAL 57 HG23 VAL 57 20.619 23.284 -6.975 431 H ASN 58 H ASN 58 18.259 25.015 -10.135 432 HA ASN 58 HA ASN 58 19.175 27.367 -8.671 433 HB2 ASN 58 HB2 ASN 58 21.214 25.848 -8.910 434 HB3 ASN 58 HB3 ASN 58 21.071 26.060 -10.663 435 HD21 ASN 58 HD21 ASN 58 23.457 28.640 -9.999 436 HD22 ASN 58 HD22 ASN 58 23.269 26.966 -10.477 437 H LEU 59 H LEU 59 19.334 29.250 -10.002 438 HA LEU 59 HA LEU 59 18.521 29.103 -12.813 439 HB2 LEU 59 HB2 LEU 59 16.557 29.323 -10.838 440 HB3 LEU 59 HB3 LEU 59 16.874 31.000 -11.250 441 HG LEU 59 HG LEU 59 15.032 30.128 -12.555 442 HD11 LEU 59 HD11 LEU 59 17.436 30.359 -14.406 443 HD12 LEU 59 HD12 LEU 59 15.739 30.645 -14.812 444 HD13 LEU 59 HD13 LEU 59 16.555 31.743 -13.683 445 HD21 LEU 59 HD21 LEU 59 15.675 27.731 -12.506 446 HD22 LEU 59 HD22 LEU 59 15.288 28.288 -14.154 447 HD23 LEU 59 HD23 LEU 59 16.980 28.058 -13.665 448 H ARG 60 H ARG 60 18.465 31.485 -13.673 449 HA ARG 60 HA ARG 60 20.962 32.697 -13.128 450 HB2 ARG 60 HB2 ARG 60 19.677 32.949 -15.236 451 HB3 ARG 60 HB3 ARG 60 18.452 33.897 -14.374 452 HG2 ARG 60 HG2 ARG 60 20.168 35.611 -13.830 453 HG3 ARG 60 HG3 ARG 60 21.403 34.645 -14.668 454 HD2 ARG 60 HD2 ARG 60 20.112 34.830 -16.770 455 HD3 ARG 60 HD3 ARG 60 18.882 35.793 -15.930 456 HE ARG 60 HE ARG 60 21.418 37.023 -15.536 457 HH11 ARG 60 HH11 ARG 60 19.066 36.431 -18.109 458 HH12 ARG 60 HH12 ARG 60 19.528 37.851 -19.018 459 HH21 ARG 60 HH21 ARG 60 21.994 38.870 -16.734 460 HH22 ARG 60 HH22 ARG 60 21.185 39.227 -18.241 461 H GLY 61 H GLY 61 21.643 34.256 -11.763 462 HA2 GLY 61 HA2 GLY 61 21.616 35.882 -10.139 463 HA3 GLY 61 HA3 GLY 61 19.871 36.060 -10.381 464 H GLY 62 H GLY 62 20.284 32.799 -9.825 465 HA2 GLY 62 HA2 GLY 62 19.320 33.020 -7.084 466 HA3 GLY 62 HA3 GLY 62 19.540 31.539 -8.027 467 H GLU 63 H GLU 63 20.334 32.236 -5.216 468 HA GLU 63 HA GLU 63 23.219 31.530 -5.460 469 HB2 GLU 63 HB2 GLU 63 21.941 33.402 -3.435 470 HB3 GLU 63 HB3 GLU 63 23.617 32.823 -3.383 471 HG2 GLU 63 HG2 GLU 63 24.028 33.839 -5.612 472 HG3 GLU 63 HG3 GLU 63 22.370 34.468 -5.624 473 H LYS 64 H LYS 64 24.066 30.220 -3.796 474 HA LYS 64 HA LYS 64 24.092 28.399 -2.491 475 HB2 LYS 64 HB2 LYS 64 21.885 29.880 -1.030 476 HB3 LYS 64 HB3 LYS 64 22.870 28.559 -0.373 477 HG2 LYS 64 HG2 LYS 64 24.921 29.916 -0.712 478 HG3 LYS 64 HG3 LYS 64 23.934 31.239 -1.365 479 HD2 LYS 64 HD2 LYS 64 24.468 31.674 0.970 480 HD3 LYS 64 HD3 LYS 64 22.724 31.410 0.784 481 HE2 LYS 64 HE2 LYS 64 22.979 29.083 1.555 482 HE3 LYS 64 HE3 LYS 64 24.729 29.307 1.700 483 HZ1 LYS 64 HZ1 LYS 64 24.307 31.002 3.355 484 HZ2 LYS 64 HZ2 LYS 64 22.685 30.784 3.221 485 HZ3 LYS 64 HZ3 LYS 64 23.631 29.575 3.807 486 H SER 65 H SER 65 22.036 28.372 -4.786 487 HA SER 65 HA SER 65 20.504 26.955 -5.666 488 HB2 SER 65 HB2 SER 65 21.638 25.013 -3.621 489 HB3 SER 65 HB3 SER 65 20.703 24.586 -5.064 490 HG SER 65 HG SER 65 23.201 25.934 -4.998 491 H THR 66 H THR 66 18.690 25.181 -5.012 492 HA THR 66 HA THR 66 16.780 26.728 -3.528 493 HB THR 66 HB THR 66 16.184 25.299 -5.452 494 HG1 THR 66 HG1 THR 66 14.553 25.777 -4.058 495 HG21 THR 66 HG21 THR 66 17.702 23.354 -4.871 496 HG22 THR 66 HG22 THR 66 16.595 22.962 -3.535 497 HG23 THR 66 HG23 THR 66 16.021 22.883 -5.212 498 HA PRO 67 HA PRO 67 17.460 24.792 0.466 499 HB2 PRO 67 HB2 PRO 67 15.513 26.005 1.886 500 HB3 PRO 67 HB3 PRO 67 16.865 26.966 1.202 501 HG2 PRO 67 HG2 PRO 67 14.099 26.545 0.022 502 HG3 PRO 67 HG3 PRO 67 14.957 28.103 0.283 503 HD2 PRO 67 HD2 PRO 67 14.989 26.758 -2.119 504 HD3 PRO 67 HD3 PRO 67 16.387 27.721 -1.539 505 H VAL 68 H VAL 68 14.793 24.327 -1.678 506 HA VAL 68 HA VAL 68 13.049 22.925 0.145 507 HB VAL 68 HB VAL 68 13.096 22.940 -2.897 508 HG11 VAL 68 HG11 VAL 68 10.883 22.321 -0.887 509 HG12 VAL 68 HG12 VAL 68 10.689 22.410 -2.655 510 HG13 VAL 68 HG13 VAL 68 11.688 21.134 -1.937 511 HG21 VAL 68 HG21 VAL 68 12.919 25.234 -2.002 512 HG22 VAL 68 HG22 VAL 68 11.363 24.707 -2.665 513 HG23 VAL 68 HG23 VAL 68 11.615 24.715 -0.905 514 H ALA 69 H ALA 69 15.741 21.944 -1.979 515 HA ALA 69 HA ALA 69 15.038 19.156 -2.041 516 HB1 ALA 69 HB1 ALA 69 17.717 20.573 -2.365 517 HB2 ALA 69 HB2 ALA 69 17.401 18.878 -2.780 518 HB3 ALA 69 HB3 ALA 69 16.566 20.175 -3.668 519 H GLU 70 H GLU 70 16.932 21.194 0.202 520 HA GLU 70 HA GLU 70 17.821 18.844 1.706 521 HB2 GLU 70 HB2 GLU 70 18.240 21.827 2.044 522 HB3 GLU 70 HB3 GLU 70 18.885 20.599 3.166 523 HG2 GLU 70 HG2 GLU 70 20.059 19.479 1.328 524 HG3 GLU 70 HG3 GLU 70 19.376 20.599 0.154 525 H ALA 71 H ALA 71 15.088 21.020 1.746 526 HA ALA 71 HA ALA 71 14.324 20.428 4.481 527 HB1 ALA 71 HB1 ALA 71 12.671 21.290 2.070 528 HB2 ALA 71 HB2 ALA 71 12.136 21.309 3.766 529 HB3 ALA 71 HB3 ALA 71 13.457 22.379 3.237 530 H LEU 72 H LEU 72 13.905 18.925 1.276 531 HA LEU 72 HA LEU 72 12.133 16.836 2.244 532 HB2 LEU 72 HB2 LEU 72 13.812 17.171 -0.273 533 HB3 LEU 72 HB3 LEU 72 12.757 15.784 0.020 534 HG LEU 72 HG LEU 72 11.804 18.683 -0.036 535 HD11 LEU 72 HD11 LEU 72 11.593 16.473 -2.120 536 HD12 LEU 72 HD12 LEU 72 10.860 18.093 -2.236 537 HD13 LEU 72 HD13 LEU 72 12.629 17.919 -2.230 538 HD21 LEU 72 HD21 LEU 72 10.300 16.030 -0.003 539 HD22 LEU 72 HD22 LEU 72 10.341 17.232 1.313 540 HD23 LEU 72 HD23 LEU 72 9.566 17.630 -0.229 541 H ALA 73 H ALA 73 15.635 17.361 2.100 542 HA ALA 73 HA ALA 73 16.315 14.591 2.556 543 HB1 ALA 73 HB1 ALA 73 17.889 17.132 3.154 544 HB2 ALA 73 HB2 ALA 73 18.542 15.483 3.067 545 HB3 ALA 73 HB3 ALA 73 17.895 16.254 1.603 546 H ALA 74 H ALA 74 15.244 17.276 4.571 547 HA ALA 74 HA ALA 74 15.977 15.936 7.068 548 HB1 ALA 74 HB1 ALA 74 14.246 18.378 6.501 549 HB2 ALA 74 HB2 ALA 74 14.817 17.848 8.100 550 HB3 ALA 74 HB3 ALA 74 15.984 18.393 6.874 551 H ARG 75 H ARG 75 13.376 15.851 4.783 552 HA ARG 75 HA ARG 75 11.628 14.467 6.733 553 HB2 ARG 75 HB2 ARG 75 10.850 16.408 5.236 554 HB3 ARG 75 HB3 ARG 75 10.874 15.234 3.906 555 HG2 ARG 75 HG2 ARG 75 9.277 13.800 5.159 556 HG3 ARG 75 HG3 ARG 75 9.358 14.914 6.540 557 HD2 ARG 75 HD2 ARG 75 8.494 16.741 5.069 558 HD3 ARG 75 HD3 ARG 75 8.314 15.561 3.759 559 HE ARG 75 HE ARG 75 6.686 14.348 5.189 560 HH11 ARG 75 HH11 ARG 75 7.352 17.743 5.970 561 HH12 ARG 75 HH12 ARG 75 5.826 17.956 6.794 562 HH21 ARG 75 HH21 ARG 75 4.724 14.678 6.272 563 HH22 ARG 75 HH22 ARG 75 4.366 16.230 6.993 564 H ASP 76 H ASP 76 14.165 13.600 5.025 565 HA ASP 76 HA ASP 76 14.970 11.743 4.091 566 HB2 ASP 76 HB2 ASP 76 14.216 10.889 6.297 567 HB3 ASP 76 HB3 ASP 76 12.718 10.325 5.541 568 H ILE 77 H ILE 77 13.232 13.210 2.378 569 HA ILE 77 HA ILE 77 12.108 11.018 0.696 570 HB ILE 77 HB ILE 77 11.543 13.997 0.657 571 HG12 ILE 77 HG12 ILE 77 10.519 12.941 2.609 572 HG13 ILE 77 HG13 ILE 77 9.297 13.392 1.419 573 HG21 ILE 77 HG21 ILE 77 10.422 11.698 -0.996 574 HG22 ILE 77 HG22 ILE 77 9.762 13.348 -0.958 575 HG23 ILE 77 HG23 ILE 77 11.402 13.056 -1.572 576 HD11 ILE 77 HD11 ILE 77 10.398 10.581 1.853 577 HD12 ILE 77 HD12 ILE 77 8.812 11.189 2.372 578 HD13 ILE 77 HD13 ILE 77 9.166 11.033 0.645 579 HA PRO 78 HA PRO 78 15.747 11.724 -1.853 580 HB2 PRO 78 HB2 PRO 78 14.056 10.100 -3.744 581 HB3 PRO 78 HB3 PRO 78 15.786 9.896 -3.325 582 HG2 PRO 78 HG2 PRO 78 13.934 8.246 -2.242 583 HG3 PRO 78 HG3 PRO 78 15.231 8.928 -1.203 584 HD2 PRO 78 HD2 PRO 78 12.374 9.908 -1.498 585 HD3 PRO 78 HD3 PRO 78 13.333 9.635 -0.011 586 H PHE 79 H PHE 79 16.285 12.831 -3.803 587 HA PHE 79 HA PHE 79 14.119 14.014 -5.403 588 HB2 PHE 79 HB2 PHE 79 14.923 16.300 -5.046 589 HB3 PHE 79 HB3 PHE 79 14.340 15.580 -3.548 590 HD1 PHE 79 HD1 PHE 79 15.679 15.678 -1.621 591 HD2 PHE 79 HD2 PHE 79 17.514 16.202 -5.478 592 HE1 PHE 79 HE1 PHE 79 17.819 16.314 -0.527 593 HE2 PHE 79 HE2 PHE 79 19.659 16.774 -4.375 594 HZ PHE 79 HZ PHE 79 19.794 16.870 -1.899 595 H VAL 80 H VAL 80 15.023 15.312 -7.227 596 HA VAL 80 HA VAL 80 17.831 14.648 -7.924 597 HB VAL 80 HB VAL 80 17.222 14.155 -10.212 598 HG11 VAL 80 HG11 VAL 80 15.485 12.514 -8.325 599 HG12 VAL 80 HG12 VAL 80 16.130 11.993 -9.900 600 HG13 VAL 80 HG13 VAL 80 17.234 12.293 -8.537 601 HG21 VAL 80 HG21 VAL 80 15.204 15.553 -10.416 602 HG22 VAL 80 HG22 VAL 80 14.886 13.883 -10.916 603 HG23 VAL 80 HG23 VAL 80 14.332 14.455 -9.319 604 H PHE 81 H PHE 81 18.774 16.181 -9.450 605 HA PHE 81 HA PHE 81 17.568 18.862 -9.051 606 HB2 PHE 81 HB2 PHE 81 20.344 17.938 -9.847 607 HB3 PHE 81 HB3 PHE 81 19.847 19.627 -9.791 608 HD1 PHE 81 HD1 PHE 81 22.153 18.274 -8.295 609 HD2 PHE 81 HD2 PHE 81 18.101 19.185 -7.141 610 HE1 PHE 81 HE1 PHE 81 22.852 18.410 -5.926 611 HE2 PHE 81 HE2 PHE 81 18.823 19.366 -4.787 612 HZ PHE 81 HZ PHE 81 21.192 18.985 -4.172 613 H ALA 82 H ALA 82 17.356 20.379 -10.688 614 HA ALA 82 HA ALA 82 17.907 19.512 -13.452 615 HB1 ALA 82 HB1 ALA 82 15.548 18.898 -13.050 616 HB2 ALA 82 HB2 ALA 82 15.203 20.556 -12.510 617 HB3 ALA 82 HB3 ALA 82 15.668 20.244 -14.201 618 H THR 83 H THR 83 19.121 21.065 -14.319 619 HA THR 83 HA THR 83 18.391 23.828 -14.371 620 HB THR 83 HB THR 83 19.265 23.711 -12.028 621 HG1 THR 83 HG1 THR 83 19.511 25.622 -13.040 622 HG21 THR 83 HG21 THR 83 21.907 22.996 -13.372 623 HG22 THR 83 HG22 THR 83 21.659 23.361 -11.649 624 HG23 THR 83 HG23 THR 83 20.939 21.901 -12.356 625 H GLY 84 H GLY 84 20.051 25.096 -15.620 626 HA2 GLY 84 HA2 GLY 84 21.485 23.403 -17.543 627 HA3 GLY 84 HA3 GLY 84 21.362 25.170 -17.568 628 H GLY 85 H GLY 85 23.753 23.229 -17.719 629 HA2 GLY 85 HA2 GLY 85 25.743 24.716 -16.533 630 HA3 GLY 85 HA3 GLY 85 25.203 23.643 -15.237 631 H SER 86 H SER 86 27.399 22.808 -15.320 632 HA SER 86 HA SER 86 27.615 20.550 -17.217 633 HB2 SER 86 HB2 SER 86 28.889 22.475 -18.173 634 HB3 SER 86 HB3 SER 86 29.867 22.524 -16.690 635 HG SER 86 HG SER 86 30.873 21.272 -18.301 636 H ASP 87 H ASP 87 29.479 19.089 -16.516 637 HA ASP 87 HA ASP 87 28.964 18.313 -13.807 638 HB2 ASP 87 HB2 ASP 87 29.346 16.784 -15.729 639 HB3 ASP 87 HB3 ASP 87 31.030 17.317 -15.802 640 H ASP 88 H ASP 88 31.024 20.719 -14.931 641 HA ASP 88 HA ASP 88 32.897 20.326 -12.651 642 HB2 ASP 88 HB2 ASP 88 34.527 21.631 -13.909 643 HB3 ASP 88 HB3 ASP 88 34.022 20.199 -14.811 644 H SER 89 H SER 89 30.130 21.797 -13.076 645 HA SER 89 HA SER 89 31.017 24.406 -11.931 646 HB2 SER 89 HB2 SER 89 29.109 25.449 -12.987 647 HB3 SER 89 HB3 SER 89 30.072 24.586 -14.204 648 HG SER 89 HG SER 89 28.561 22.805 -13.862 649 H VAL 90 H VAL 90 29.949 21.587 -10.860 650 HA VAL 90 HA VAL 90 28.213 22.792 -8.783 651 HB VAL 90 HB VAL 90 26.764 20.779 -8.881 652 HG11 VAL 90 HG11 VAL 90 26.717 22.484 -11.398 653 HG12 VAL 90 HG12 VAL 90 25.359 21.561 -10.700 654 HG13 VAL 90 HG13 VAL 90 26.039 22.939 -9.817 655 HG21 VAL 90 HG21 VAL 90 28.252 19.300 -10.210 656 HG22 VAL 90 HG22 VAL 90 26.658 19.475 -10.971 657 HG23 VAL 90 HG23 VAL 90 28.047 20.370 -11.619 658 H ASP 91 H ASP 91 28.090 21.618 -6.830 659 HA ASP 91 HA ASP 91 30.576 20.400 -6.054 660 HB2 ASP 91 HB2 ASP 91 29.227 21.815 -4.565 661 HB3 ASP 91 HB3 ASP 91 27.890 20.660 -4.647 662 H SER 92 H SER 92 30.675 18.272 -4.873 663 HA SER 92 HA SER 92 30.049 16.187 -6.665 664 HB2 SER 92 HB2 SER 92 30.739 16.066 -3.706 665 HB3 SER 92 HB3 SER 92 30.853 14.717 -4.862 666 HG SER 92 HG SER 92 32.846 15.810 -4.571 667 H ARG 93 H ARG 93 27.985 17.647 -4.229 668 HA ARG 93 HA ARG 93 26.316 15.320 -3.833 669 HB2 ARG 93 HB2 ARG 93 26.479 17.269 -2.276 670 HB3 ARG 93 HB3 ARG 93 25.636 18.274 -3.479 671 HG2 ARG 93 HG2 ARG 93 23.657 16.834 -3.347 672 HG3 ARG 93 HG3 ARG 93 24.528 15.689 -2.307 673 HD2 ARG 93 HD2 ARG 93 23.102 17.025 -0.909 674 HD3 ARG 93 HD3 ARG 93 24.783 17.490 -0.592 675 HE ARG 93 HE ARG 93 23.743 19.212 -2.603 676 HH11 ARG 93 HH11 ARG 93 23.345 18.502 0.836 677 HH12 ARG 93 HH12 ARG 93 22.792 20.112 1.228 678 HH21 ARG 93 HH21 ARG 93 22.992 21.313 -2.066 679 HH22 ARG 93 HH22 ARG 93 22.561 21.690 -0.418 680 H PHE 94 H PHE 94 26.558 17.811 -6.303 681 HA PHE 94 HA PHE 94 23.971 17.147 -7.515 682 HB2 PHE 94 HB2 PHE 94 26.352 18.731 -8.540 683 HB3 PHE 94 HB3 PHE 94 24.767 18.658 -9.298 684 HD1 PHE 94 HD1 PHE 94 23.346 20.447 -8.981 685 HD2 PHE 94 HD2 PHE 94 26.282 19.571 -5.956 686 HE1 PHE 94 HE1 PHE 94 22.670 22.474 -7.725 687 HE2 PHE 94 HE2 PHE 94 25.580 21.583 -4.695 688 HZ PHE 94 HZ PHE 94 23.778 23.041 -5.583 689 H ARG 95 H ARG 95 27.301 16.105 -7.611 690 HA ARG 95 HA ARG 95 27.013 14.792 -10.224 691 HB2 ARG 95 HB2 ARG 95 29.325 14.737 -8.247 692 HB3 ARG 95 HB3 ARG 95 29.359 14.234 -9.949 693 HG2 ARG 95 HG2 ARG 95 28.797 16.571 -10.630 694 HG3 ARG 95 HG3 ARG 95 28.798 17.061 -8.927 695 HD2 ARG 95 HD2 ARG 95 30.918 17.673 -9.820 696 HD3 ARG 95 HD3 ARG 95 31.183 16.272 -8.765 697 HE ARG 95 HE ARG 95 30.837 15.912 -11.707 698 HH11 ARG 95 HH11 ARG 95 32.869 15.597 -8.830 699 HH12 ARG 95 HH12 ARG 95 34.094 14.667 -9.662 700 HH21 ARG 95 HH21 ARG 95 32.468 14.784 -12.771 701 HH22 ARG 95 HH22 ARG 95 33.851 14.170 -11.891 702 H ASP 96 H ASP 96 26.280 14.043 -6.974 703 HA ASP 96 HA ASP 96 26.530 11.124 -7.430 704 HB2 ASP 96 HB2 ASP 96 27.356 12.046 -5.315 705 HB3 ASP 96 HB3 ASP 96 25.766 12.755 -4.987 706 H ARG 97 H ARG 97 24.126 13.731 -7.058 707 HA ARG 97 HA ARG 97 21.897 11.816 -7.219 708 HB2 ARG 97 HB2 ARG 97 21.963 14.858 -7.164 709 HB3 ARG 97 HB3 ARG 97 20.499 13.869 -7.125 710 HG2 ARG 97 HG2 ARG 97 22.677 13.864 -4.986 711 HG3 ARG 97 HG3 ARG 97 21.133 14.713 -4.906 712 HD2 ARG 97 HD2 ARG 97 20.723 12.779 -3.688 713 HD3 ARG 97 HD3 ARG 97 20.026 12.404 -5.273 714 HE ARG 97 HE ARG 97 22.826 11.562 -4.727 715 HH11 ARG 97 HH11 ARG 97 19.427 10.624 -5.029 716 HH12 ARG 97 HH12 ARG 97 19.795 8.923 -5.173 717 HH21 ARG 97 HH21 ARG 97 23.270 9.385 -4.877 718 HH22 ARG 97 HH22 ARG 97 21.988 8.209 -5.099 719 HA PRO 98 HA PRO 98 21.406 12.027 -11.626 720 HB2 PRO 98 HB2 PRO 98 18.477 12.362 -11.043 721 HB3 PRO 98 HB3 PRO 98 19.283 11.187 -12.136 722 HG2 PRO 98 HG2 PRO 98 18.341 10.390 -9.721 723 HG3 PRO 98 HG3 PRO 98 19.948 9.830 -10.291 724 HD2 PRO 98 HD2 PRO 98 19.335 12.107 -8.375 725 HD3 PRO 98 HD3 PRO 98 20.551 10.793 -8.228 726 H VAL 99 H VAL 99 20.926 13.564 -13.313 727 HA VAL 99 HA VAL 99 19.913 16.213 -12.456 728 HB VAL 99 HB VAL 99 21.778 17.330 -13.620 729 HG11 VAL 99 HG11 VAL 99 21.845 17.011 -11.163 730 HG12 VAL 99 HG12 VAL 99 22.716 15.482 -11.389 731 HG13 VAL 99 HG13 VAL 99 23.471 17.012 -11.880 732 HG21 VAL 99 HG21 VAL 99 22.490 15.487 -15.108 733 HG22 VAL 99 HG22 VAL 99 23.846 16.089 -14.136 734 HG23 VAL 99 HG23 VAL 99 23.051 14.559 -13.699 735 H LEU 100 H LEU 100 19.147 17.530 -14.152 736 HA LEU 100 HA LEU 100 19.174 16.455 -16.889 737 HB2 LEU 100 HB2 LEU 100 17.213 15.413 -15.744 738 HB3 LEU 100 HB3 LEU 100 16.592 17.023 -15.373 739 HG LEU 100 HG LEU 100 16.353 17.512 -17.779 740 HD11 LEU 100 HD11 LEU 100 17.353 14.659 -18.163 741 HD12 LEU 100 HD12 LEU 100 16.640 15.681 -19.435 742 HD13 LEU 100 HD13 LEU 100 18.184 16.136 -18.701 743 HD21 LEU 100 HD21 LEU 100 14.519 16.420 -16.518 744 HD22 LEU 100 HD22 LEU 100 14.525 15.930 -18.228 745 HD23 LEU 100 HD23 LEU 100 15.151 14.823 -16.985 746 H GLN 101 H GLN 101 18.602 18.093 -18.474 747 HA GLN 101 HA GLN 101 19.220 20.798 -17.531 748 HB2 GLN 101 HB2 GLN 101 18.766 19.687 -20.334 749 HB3 GLN 101 HB3 GLN 101 19.274 21.334 -19.936 750 HG2 GLN 101 HG2 GLN 101 21.272 20.238 -20.464 751 HG3 GLN 101 HG3 GLN 101 21.262 20.335 -18.705 752 HE21 GLN 101 HE21 GLN 101 22.383 16.948 -19.082 753 HE22 GLN 101 HE22 GLN 101 22.925 18.606 -18.941 754 H LYS 102 H LYS 102 17.925 22.666 -18.506 755 HA LYS 102 HA LYS 102 15.263 22.481 -17.520 756 HB2 LYS 102 HB2 LYS 102 16.783 24.559 -19.116 757 HB3 LYS 102 HB3 LYS 102 15.086 24.794 -18.661 758 HG2 LYS 102 HG2 LYS 102 17.240 24.107 -16.621 759 HG3 LYS 102 HG3 LYS 102 16.821 25.776 -17.066 760 HD2 LYS 102 HD2 LYS 102 14.500 25.432 -16.376 761 HD3 LYS 102 HD3 LYS 102 14.828 23.730 -15.990 762 HE2 LYS 102 HE2 LYS 102 16.419 24.376 -14.265 763 HE3 LYS 102 HE3 LYS 102 16.238 26.090 -14.683 764 HZ1 LYS 102 HZ1 LYS 102 13.983 26.004 -13.977 765 HZ2 LYS 102 HZ2 LYS 102 14.040 24.390 -13.705 766 HZ3 LYS 102 HZ3 LYS 102 14.921 25.415 -12.771 767 HA PRO 103 HA PRO 103 13.651 22.293 -21.986 768 HB2 PRO 103 HB2 PRO 103 15.268 21.492 -24.032 769 HB3 PRO 103 HB3 PRO 103 15.135 23.210 -23.524 770 HG2 PRO 103 HG2 PRO 103 17.246 21.185 -22.725 771 HG3 PRO 103 HG3 PRO 103 17.493 22.854 -23.334 772 HD2 PRO 103 HD2 PRO 103 17.528 22.279 -20.685 773 HD3 PRO 103 HD3 PRO 103 16.808 23.804 -21.287 774 H PHE 104 H PHE 104 12.507 20.443 -22.394 775 HA PHE 104 HA PHE 104 13.750 17.868 -21.530 776 HB2 PHE 104 HB2 PHE 104 10.972 19.020 -21.314 777 HB3 PHE 104 HB3 PHE 104 11.217 17.272 -21.367 778 HD1 PHE 104 HD1 PHE 104 10.201 16.936 -19.207 779 HD2 PHE 104 HD2 PHE 104 13.697 19.424 -19.626 780 HE1 PHE 104 HE1 PHE 104 10.629 16.769 -16.778 781 HE2 PHE 104 HE2 PHE 104 14.071 19.292 -17.194 782 HZ PHE 104 HZ PHE 104 12.553 17.963 -15.769 783 H THR 105 H THR 105 13.407 16.015 -22.715 784 HA THR 105 HA THR 105 12.017 16.181 -25.319 785 HB THR 105 HB THR 105 13.921 15.149 -26.478 786 HG1 THR 105 HG1 THR 105 15.932 15.114 -25.390 787 HG21 THR 105 HG21 THR 105 13.719 17.639 -26.481 788 HG22 THR 105 HG22 THR 105 14.803 17.702 -25.067 789 HG23 THR 105 HG23 THR 105 15.399 17.078 -26.622 790 H MET 106 H MET 106 11.710 13.959 -26.245 791 HA MET 106 HA MET 106 10.733 12.212 -24.209 792 HB2 MET 106 HB2 MET 106 11.243 11.785 -27.185 793 HB3 MET 106 HB3 MET 106 10.416 10.627 -26.129 794 HG2 MET 106 HG2 MET 106 8.744 11.879 -27.264 795 HG3 MET 106 HG3 MET 106 8.736 12.369 -25.570 796 HE1 MET 106 HE1 MET 106 7.553 15.608 -27.356 797 HE2 MET 106 HE2 MET 106 7.164 13.923 -27.782 798 HE3 MET 106 HE3 MET 106 7.240 14.421 -26.074 799 H ASP 107 H ASP 107 13.871 12.429 -25.832 800 HA ASP 107 HA ASP 107 14.678 9.762 -24.929 801 HB2 ASP 107 HB2 ASP 107 15.427 10.689 -27.089 802 HB3 ASP 107 HB3 ASP 107 16.224 12.024 -26.247 803 H GLY 108 H GLY 108 15.146 13.165 -23.926 804 HA2 GLY 108 HA2 GLY 108 17.275 12.503 -22.053 805 HA3 GLY 108 HA3 GLY 108 16.462 14.066 -22.261 806 H VAL 109 H VAL 109 13.730 12.900 -21.885 807 HA VAL 109 HA VAL 109 13.761 12.978 -18.959 808 HB VAL 109 HB VAL 109 11.514 12.784 -21.000 809 HG11 VAL 109 HG11 VAL 109 11.436 13.198 -17.981 810 HG12 VAL 109 HG12 VAL 109 10.054 13.431 -19.083 811 HG13 VAL 109 HG13 VAL 109 10.762 11.817 -18.879 812 HG21 VAL 109 HG21 VAL 109 12.492 15.079 -19.242 813 HG22 VAL 109 HG22 VAL 109 12.792 14.934 -20.988 814 HG23 VAL 109 HG23 VAL 109 11.133 15.132 -20.391 815 H ALA 110 H ALA 110 13.371 10.538 -21.525 816 HA ALA 110 HA ALA 110 12.302 8.525 -19.751 817 HB1 ALA 110 HB1 ALA 110 13.766 8.291 -22.416 818 HB2 ALA 110 HB2 ALA 110 12.840 6.995 -21.619 819 HB3 ALA 110 HB3 ALA 110 12.008 8.451 -22.199 820 H LYS 111 H LYS 111 15.545 9.719 -20.485 821 HA LYS 111 HA LYS 111 16.854 7.407 -19.262 822 HB2 LYS 111 HB2 LYS 111 17.817 8.656 -21.170 823 HB3 LYS 111 HB3 LYS 111 17.934 10.107 -20.157 824 HG2 LYS 111 HG2 LYS 111 19.489 8.946 -18.635 825 HG3 LYS 111 HG3 LYS 111 19.292 7.445 -19.551 826 HD2 LYS 111 HD2 LYS 111 21.387 8.556 -20.185 827 HD3 LYS 111 HD3 LYS 111 20.265 8.501 -21.550 828 HE2 LYS 111 HE2 LYS 111 21.309 10.687 -21.462 829 HE3 LYS 111 HE3 LYS 111 19.592 10.852 -21.081 830 HZ1 LYS 111 HZ1 LYS 111 21.786 10.752 -19.110 831 HZ2 LYS 111 HZ2 LYS 111 20.984 12.109 -19.568 832 HZ3 LYS 111 HZ3 LYS 111 20.196 10.928 -18.742 833 H ALA 112 H ALA 112 15.864 10.705 -18.315 834 HA ALA 112 HA ALA 112 17.353 10.652 -15.830 835 HB1 ALA 112 HB1 ALA 112 15.021 12.375 -16.764 836 HB2 ALA 112 HB2 ALA 112 16.050 12.691 -15.349 837 HB3 ALA 112 HB3 ALA 112 16.751 12.738 -16.978 838 H LEU 113 H LEU 113 14.046 9.744 -16.858 839 HA LEU 113 HA LEU 113 13.227 9.244 -14.091 840 HB2 LEU 113 HB2 LEU 113 11.930 8.680 -16.779 841 HB3 LEU 113 HB3 LEU 113 11.176 8.307 -15.215 842 HG LEU 113 HG LEU 113 12.031 11.090 -16.119 843 HD11 LEU 113 HD11 LEU 113 9.283 9.795 -15.858 844 HD12 LEU 113 HD12 LEU 113 9.601 11.492 -16.286 845 HD13 LEU 113 HD13 LEU 113 10.106 10.189 -17.385 846 HD21 LEU 113 HD21 LEU 113 12.115 10.890 -13.675 847 HD22 LEU 113 HD22 LEU 113 10.685 11.817 -14.149 848 HD23 LEU 113 HD23 LEU 113 10.508 10.117 -13.661 849 H ALA 114 H ALA 114 14.845 7.430 -16.643 850 HA ALA 114 HA ALA 114 14.267 4.849 -15.437 851 HB1 ALA 114 HB1 ALA 114 16.452 5.743 -17.359 852 HB2 ALA 114 HB2 ALA 114 16.064 4.058 -16.951 853 HB3 ALA 114 HB3 ALA 114 14.872 5.054 -17.811 854 H ALA 115 H ALA 115 16.545 7.469 -14.869 855 HA ALA 115 HA ALA 115 18.257 5.825 -13.138 856 HB1 ALA 115 HB1 ALA 115 18.213 8.816 -13.694 857 HB2 ALA 115 HB2 ALA 115 19.486 7.921 -12.833 858 HB3 ALA 115 HB3 ALA 115 19.200 7.614 -14.559 859 H LEU 116 H LEU 116 15.370 7.783 -12.843 860 HA LEU 116 HA LEU 116 15.737 8.146 -9.942 861 HB2 LEU 116 HB2 LEU 116 14.889 9.925 -11.467 862 HB3 LEU 116 HB3 LEU 116 13.446 8.960 -11.776 863 HG LEU 116 HG LEU 116 14.293 9.898 -9.003 864 HD11 LEU 116 HD11 LEU 116 12.602 11.682 -9.304 865 HD12 LEU 116 HD12 LEU 116 13.887 11.818 -10.521 866 HD13 LEU 116 HD13 LEU 116 12.307 11.130 -10.967 867 HD21 LEU 116 HD21 LEU 116 11.846 9.586 -8.519 868 HD22 LEU 116 HD22 LEU 116 11.651 8.868 -10.131 869 HD23 LEU 116 HD23 LEU 116 12.652 8.061 -8.896 870 H LEU 117 H LEU 117 13.402 6.594 -12.185 871 HA LEU 117 HA LEU 117 12.045 5.192 -10.050 872 HB2 LEU 117 HB2 LEU 117 11.805 4.900 -13.065 873 HB3 LEU 117 HB3 LEU 117 10.663 4.300 -11.856 874 HG LEU 117 HG LEU 117 11.326 7.240 -12.346 875 HD11 LEU 117 HD11 LEU 117 8.845 5.592 -12.974 876 HD12 LEU 117 HD12 LEU 117 9.007 7.352 -13.187 877 HD13 LEU 117 HD13 LEU 117 9.995 6.242 -14.163 878 HD21 LEU 117 HD21 LEU 117 10.722 6.829 -9.995 879 HD22 LEU 117 HD22 LEU 117 9.401 7.656 -10.838 880 HD23 LEU 117 HD23 LEU 117 9.292 5.906 -10.519 881 H VAL 118 H VAL 118 15.026 4.647 -10.754 882 HA VAL 118 HA VAL 118 15.212 2.011 -11.796 883 HB VAL 118 HB VAL 118 17.066 3.621 -11.693 884 HG11 VAL 118 HG11 VAL 118 17.122 3.046 -8.701 885 HG12 VAL 118 HG12 VAL 118 18.294 4.015 -9.620 886 HG13 VAL 118 HG13 VAL 118 16.624 4.580 -9.446 887 HG21 VAL 118 HG21 VAL 118 17.503 1.195 -11.918 888 HG22 VAL 118 HG22 VAL 118 18.812 2.029 -11.048 889 HG23 VAL 118 HG23 VAL 118 17.631 1.056 -10.149 Start of MODEL 19 1 H1 MET 1 H1 NME 1 4.664 -0.464 -2.194 2 H2 MET 1 H2 NME 1 4.842 1.118 -2.608 3 H3 MET 1 H3 NME 1 4.218 0.714 -1.139 4 HA MET 1 HA NME 1 6.459 1.458 -0.891 5 HB2 MET 1 HB2 NME 1 7.347 -0.441 0.344 6 HB3 MET 1 HB3 NME 1 5.614 -0.254 0.660 7 HG2 MET 1 HG2 NME 1 5.131 -2.034 -0.991 8 HG3 MET 1 HG3 NME 1 6.862 -2.238 -1.287 9 HE1 MET 1 HE1 NME 1 8.164 -2.031 1.587 10 HE2 MET 1 HE2 NME 1 8.184 -3.747 2.046 11 HE3 MET 1 HE3 NME 1 8.569 -3.267 0.374 12 H SER 2 H SER 2 8.785 0.782 -1.128 13 HA SER 2 HA SER 2 10.569 0.574 -2.471 14 HB2 SER 2 HB2 SER 2 9.094 -1.857 -3.541 15 HB3 SER 2 HB3 SER 2 10.841 -1.551 -3.628 16 HG SER 2 HG SER 2 10.902 -1.577 -1.370 17 H ALA 3 H ALA 3 8.214 2.153 -3.572 18 HA ALA 3 HA ALA 3 9.334 2.550 -6.260 19 HB1 ALA 3 HB1 ALA 3 6.401 1.837 -5.804 20 HB2 ALA 3 HB2 ALA 3 7.143 2.327 -7.347 21 HB3 ALA 3 HB3 ALA 3 7.601 0.787 -6.594 22 H LEU 4 H LEU 4 8.320 4.479 -7.302 23 HA LEU 4 HA LEU 4 7.043 6.344 -5.423 24 HB2 LEU 4 HB2 LEU 4 8.658 8.128 -6.015 25 HB3 LEU 4 HB3 LEU 4 9.328 6.862 -4.990 26 HG LEU 4 HG LEU 4 9.779 6.862 -8.000 27 HD11 LEU 4 HD11 LEU 4 10.520 9.022 -7.110 28 HD12 LEU 4 HD12 LEU 4 11.403 8.202 -5.797 29 HD13 LEU 4 HD13 LEU 4 11.923 8.006 -7.485 30 HD21 LEU 4 HD21 LEU 4 11.869 5.671 -7.313 31 HD22 LEU 4 HD22 LEU 4 11.298 5.676 -5.631 32 HD23 LEU 4 HD23 LEU 4 10.412 4.763 -6.883 33 H THR 5 H THR 5 5.278 5.722 -6.873 34 HA THR 5 HA THR 5 5.353 6.629 -9.634 35 HB THR 5 HB THR 5 2.762 6.247 -9.229 36 HG1 THR 5 HG1 THR 5 2.461 4.740 -7.550 37 HG21 THR 5 HG21 THR 5 4.173 4.860 -10.636 38 HG22 THR 5 HG22 THR 5 4.831 4.014 -9.208 39 HG23 THR 5 HG23 THR 5 3.110 3.835 -9.644 40 H GLN 6 H GLN 6 5.146 8.299 -6.690 41 HA GLN 6 HA GLN 6 3.470 10.395 -7.969 42 HB2 GLN 6 HB2 GLN 6 3.694 9.672 -5.011 43 HB3 GLN 6 HB3 GLN 6 2.735 10.982 -5.695 44 HG2 GLN 6 HG2 GLN 6 1.653 9.228 -7.238 45 HG3 GLN 6 HG3 GLN 6 2.470 7.984 -6.296 46 HE21 GLN 6 HE21 GLN 6 -0.914 8.038 -5.013 47 HE22 GLN 6 HE22 GLN 6 0.025 7.505 -6.392 48 H ILE 7 H ILE 7 4.559 12.025 -8.635 49 HA ILE 7 HA ILE 7 6.998 12.854 -7.143 50 HB ILE 7 HB ILE 7 6.498 13.089 -10.129 51 HG12 ILE 7 HG12 ILE 7 6.600 10.707 -9.633 52 HG13 ILE 7 HG13 ILE 7 8.084 11.230 -10.426 53 HG21 ILE 7 HG21 ILE 7 8.989 13.419 -8.394 54 HG22 ILE 7 HG22 ILE 7 8.971 13.441 -10.170 55 HG23 ILE 7 HG23 ILE 7 8.118 14.700 -9.267 56 HD11 ILE 7 HD11 ILE 7 8.503 9.673 -8.548 57 HD12 ILE 7 HD12 ILE 7 9.256 11.265 -8.262 58 HD13 ILE 7 HD13 ILE 7 7.748 10.819 -7.423 59 H LEU 8 H LEU 8 7.171 14.964 -6.578 60 HA LEU 8 HA LEU 8 5.021 16.820 -7.395 61 HB2 LEU 8 HB2 LEU 8 6.005 16.327 -4.967 62 HB3 LEU 8 HB3 LEU 8 7.210 17.514 -5.451 63 HG LEU 8 HG LEU 8 4.205 17.866 -5.184 64 HD11 LEU 8 HD11 LEU 8 5.587 17.942 -3.120 65 HD12 LEU 8 HD12 LEU 8 6.580 19.223 -3.850 66 HD13 LEU 8 HD13 LEU 8 4.862 19.523 -3.498 67 HD21 LEU 8 HD21 LEU 8 6.243 19.849 -6.277 68 HD22 LEU 8 HD22 LEU 8 4.786 19.229 -7.102 69 HD23 LEU 8 HD23 LEU 8 4.622 20.292 -5.701 70 H ILE 9 H ILE 9 5.411 18.627 -8.639 71 HA ILE 9 HA ILE 9 8.084 18.843 -9.925 72 HB ILE 9 HB ILE 9 5.333 19.861 -10.724 73 HG12 ILE 9 HG12 ILE 9 7.039 17.728 -12.073 74 HG13 ILE 9 HG13 ILE 9 5.798 17.346 -10.871 75 HG21 ILE 9 HG21 ILE 9 7.979 19.985 -12.241 76 HG22 ILE 9 HG22 ILE 9 6.398 20.517 -12.847 77 HG23 ILE 9 HG23 ILE 9 7.141 21.367 -11.492 78 HD11 ILE 9 HD11 ILE 9 4.930 17.141 -13.179 79 HD12 ILE 9 HD12 ILE 9 4.055 18.363 -12.231 80 HD13 ILE 9 HD13 ILE 9 5.242 18.871 -13.447 81 H VAL 10 H VAL 10 9.388 20.522 -9.405 82 HA VAL 10 HA VAL 10 8.130 23.001 -8.339 83 HB VAL 10 HB VAL 10 10.713 21.772 -7.295 84 HG11 VAL 10 HG11 VAL 10 8.968 24.073 -6.317 85 HG12 VAL 10 HG12 VAL 10 10.414 23.448 -5.499 86 HG13 VAL 10 HG13 VAL 10 10.559 24.220 -7.095 87 HG21 VAL 10 HG21 VAL 10 7.935 21.725 -6.047 88 HG22 VAL 10 HG22 VAL 10 8.864 20.318 -6.607 89 HG23 VAL 10 HG23 VAL 10 9.449 21.260 -5.229 90 H GLU 11 H GLU 11 8.531 24.522 -9.876 91 HA GLU 11 HA GLU 11 11.302 24.787 -10.876 92 HB2 GLU 11 HB2 GLU 11 8.867 24.475 -12.674 93 HB3 GLU 11 HB3 GLU 11 10.469 25.017 -13.211 94 HG2 GLU 11 HG2 GLU 11 11.438 22.865 -12.357 95 HG3 GLU 11 HG3 GLU 11 9.792 22.308 -12.001 96 H ASP 12 H ASP 12 11.657 26.799 -12.055 97 HA ASP 12 HA ASP 12 10.095 29.012 -10.858 98 HB2 ASP 12 HB2 ASP 12 12.533 28.882 -10.458 99 HB3 ASP 12 HB3 ASP 12 12.820 28.941 -12.200 100 H GLU 13 H GLU 13 9.976 27.249 -13.665 101 HA GLU 13 HA GLU 13 9.022 29.609 -15.236 102 HB2 GLU 13 HB2 GLU 13 10.676 27.268 -16.243 103 HB3 GLU 13 HB3 GLU 13 9.895 28.488 -17.262 104 HG2 GLU 13 HG2 GLU 13 11.189 30.272 -16.106 105 HG3 GLU 13 HG3 GLU 13 12.027 29.030 -15.158 106 HA PRO 14 HA PRO 14 5.460 26.881 -14.776 107 HB2 PRO 14 HB2 PRO 14 4.274 29.143 -16.382 108 HB3 PRO 14 HB3 PRO 14 3.604 28.313 -14.941 109 HG2 PRO 14 HG2 PRO 14 4.742 30.746 -14.680 110 HG3 PRO 14 HG3 PRO 14 5.139 29.451 -13.494 111 HD2 PRO 14 HD2 PRO 14 6.745 30.322 -15.916 112 HD3 PRO 14 HD3 PRO 14 7.300 30.033 -14.235 113 H LEU 15 H LEU 15 6.866 28.142 -17.768 114 HA LEU 15 HA LEU 15 5.079 26.758 -19.554 115 HB2 LEU 15 HB2 LEU 15 6.421 28.722 -20.216 116 HB3 LEU 15 HB3 LEU 15 7.915 27.814 -19.931 117 HG LEU 15 HG LEU 15 7.316 26.225 -21.722 118 HD11 LEU 15 HD11 LEU 15 4.904 28.055 -22.116 119 HD12 LEU 15 HD12 LEU 15 5.420 26.774 -23.238 120 HD13 LEU 15 HD13 LEU 15 4.859 26.350 -21.609 121 HD21 LEU 15 HD21 LEU 15 7.143 29.150 -22.565 122 HD22 LEU 15 HD22 LEU 15 8.639 28.238 -22.240 123 HD23 LEU 15 HD23 LEU 15 7.601 27.788 -23.609 124 H ILE 16 H ILE 16 8.249 25.962 -18.061 125 HA ILE 16 HA ILE 16 8.394 23.430 -19.508 126 HB ILE 16 HB ILE 16 10.024 24.441 -17.145 127 HG12 ILE 16 HG12 ILE 16 10.222 26.022 -18.976 128 HG13 ILE 16 HG13 ILE 16 11.710 25.081 -18.845 129 HG21 ILE 16 HG21 ILE 16 10.489 22.211 -19.175 130 HG22 ILE 16 HG22 ILE 16 11.722 22.813 -18.042 131 HG23 ILE 16 HG23 ILE 16 10.253 22.036 -17.426 132 HD11 ILE 16 HD11 ILE 16 10.974 23.654 -20.746 133 HD12 ILE 16 HD12 ILE 16 9.489 24.628 -20.888 134 HD13 ILE 16 HD13 ILE 16 11.073 25.368 -21.192 135 H ALA 17 H ALA 17 7.093 24.629 -16.471 136 HA ALA 17 HA ALA 17 6.885 22.090 -15.157 137 HB1 ALA 17 HB1 ALA 17 5.179 24.593 -14.851 138 HB2 ALA 17 HB2 ALA 17 5.328 23.260 -13.684 139 HB3 ALA 17 HB3 ALA 17 6.730 24.300 -14.021 140 H MET 18 H MET 18 4.981 23.709 -17.670 141 HA MET 18 HA MET 18 2.765 21.806 -17.463 142 HB2 MET 18 HB2 MET 18 3.530 23.928 -19.503 143 HB3 MET 18 HB3 MET 18 2.090 22.902 -19.639 144 HG2 MET 18 HG2 MET 18 2.702 24.729 -17.282 145 HG3 MET 18 HG3 MET 18 1.606 25.121 -18.608 146 HE1 MET 18 HE1 MET 18 -0.233 25.734 -16.857 147 HE2 MET 18 HE2 MET 18 -0.790 24.643 -15.566 148 HE3 MET 18 HE3 MET 18 0.868 25.290 -15.524 149 H MET 19 H MET 19 5.866 22.048 -19.180 150 HA MET 19 HA MET 19 5.254 19.862 -20.991 151 HB2 MET 19 HB2 MET 19 7.893 21.039 -20.034 152 HB3 MET 19 HB3 MET 19 7.732 19.783 -21.284 153 HG2 MET 19 HG2 MET 19 6.347 21.294 -22.641 154 HG3 MET 19 HG3 MET 19 6.468 22.545 -21.403 155 HE1 MET 19 HE1 MET 19 8.330 20.444 -24.124 156 HE2 MET 19 HE2 MET 19 9.992 21.066 -24.028 157 HE3 MET 19 HE3 MET 19 9.335 20.089 -22.699 158 H LEU 20 H LEU 20 6.487 20.146 -17.652 159 HA LEU 20 HA LEU 20 7.257 17.381 -17.442 160 HB2 LEU 20 HB2 LEU 20 6.858 19.715 -15.625 161 HB3 LEU 20 HB3 LEU 20 6.585 18.128 -14.891 162 HG LEU 20 HG LEU 20 8.924 18.963 -14.617 163 HD11 LEU 20 HD11 LEU 20 8.351 16.594 -14.449 164 HD12 LEU 20 HD12 LEU 20 8.582 16.391 -16.201 165 HD13 LEU 20 HD13 LEU 20 9.960 16.822 -15.151 166 HD21 LEU 20 HD21 LEU 20 9.172 20.045 -16.842 167 HD22 LEU 20 HD22 LEU 20 10.463 18.887 -16.495 168 HD23 LEU 20 HD23 LEU 20 9.152 18.437 -17.609 169 H GLU 21 H GLU 21 4.171 19.133 -17.061 170 HA GLU 21 HA GLU 21 2.785 16.811 -16.008 171 HB2 GLU 21 HB2 GLU 21 1.909 19.438 -17.255 172 HB3 GLU 21 HB3 GLU 21 0.753 18.206 -16.728 173 HG2 GLU 21 HG2 GLU 21 2.872 19.342 -14.867 174 HG3 GLU 21 HG3 GLU 21 1.266 20.061 -15.057 175 H ASP 22 H ASP 22 3.786 17.889 -19.195 176 HA ASP 22 HA ASP 22 1.797 16.280 -20.582 177 HB2 ASP 22 HB2 ASP 22 2.704 18.388 -21.518 178 HB3 ASP 22 HB3 ASP 22 4.311 17.643 -21.604 179 H PHE 23 H PHE 23 5.337 15.955 -19.808 180 HA PHE 23 HA PHE 23 5.482 13.455 -21.261 181 HB2 PHE 23 HB2 PHE 23 7.317 14.923 -19.360 182 HB3 PHE 23 HB3 PHE 23 7.663 13.279 -19.921 183 HD1 PHE 23 HD1 PHE 23 8.007 16.757 -20.723 184 HD2 PHE 23 HD2 PHE 23 7.670 12.834 -22.454 185 HE1 PHE 23 HE1 PHE 23 8.987 17.602 -22.827 186 HE2 PHE 23 HE2 PHE 23 8.689 13.671 -24.547 187 HZ PHE 23 HZ PHE 23 9.337 16.064 -24.749 188 H LEU 24 H LEU 24 4.620 14.331 -17.911 189 HA LEU 24 HA LEU 24 4.942 11.572 -17.017 190 HB2 LEU 24 HB2 LEU 24 3.643 14.018 -15.764 191 HB3 LEU 24 HB3 LEU 24 3.787 12.452 -14.959 192 HG LEU 24 HG LEU 24 6.162 14.076 -15.985 193 HD11 LEU 24 HD11 LEU 24 4.954 15.152 -14.091 194 HD12 LEU 24 HD12 LEU 24 5.124 13.653 -13.149 195 HD13 LEU 24 HD13 LEU 24 6.571 14.572 -13.614 196 HD21 LEU 24 HD21 LEU 24 6.004 11.603 -14.214 197 HD22 LEU 24 HD22 LEU 24 6.637 11.657 -15.879 198 HD23 LEU 24 HD23 LEU 24 7.482 12.517 -14.584 199 H GLU 25 H GLU 25 2.488 13.358 -18.721 200 HA GLU 25 HA GLU 25 0.365 11.477 -17.980 201 HB2 GLU 25 HB2 GLU 25 -0.085 13.863 -18.442 202 HB3 GLU 25 HB3 GLU 25 0.484 13.650 -20.108 203 HG2 GLU 25 HG2 GLU 25 -1.319 12.025 -20.532 204 HG3 GLU 25 HG3 GLU 25 -1.842 12.136 -18.847 205 H VAL 26 H VAL 26 2.823 11.835 -20.493 206 HA VAL 26 HA VAL 26 1.572 9.840 -22.240 207 HB VAL 26 HB VAL 26 4.205 11.357 -22.320 208 HG11 VAL 26 HG11 VAL 26 4.373 10.547 -24.676 209 HG12 VAL 26 HG12 VAL 26 4.562 9.244 -23.492 210 HG13 VAL 26 HG13 VAL 26 3.023 9.436 -24.371 211 HG21 VAL 26 HG21 VAL 26 1.675 11.528 -24.020 212 HG22 VAL 26 HG22 VAL 26 2.110 12.667 -22.727 213 HG23 VAL 26 HG23 VAL 26 3.124 12.546 -24.181 214 H LEU 27 H LEU 27 3.747 9.868 -19.532 215 HA LEU 27 HA LEU 27 4.672 7.127 -20.189 216 HB2 LEU 27 HB2 LEU 27 5.738 9.177 -18.221 217 HB3 LEU 27 HB3 LEU 27 6.387 7.541 -18.421 218 HG LEU 27 HG LEU 27 6.249 9.649 -20.623 219 HD11 LEU 27 HD11 LEU 27 7.870 10.213 -18.838 220 HD12 LEU 27 HD12 LEU 27 8.612 8.603 -19.012 221 HD13 LEU 27 HD13 LEU 27 8.685 9.772 -20.352 222 HD21 LEU 27 HD21 LEU 27 7.544 6.889 -20.522 223 HD22 LEU 27 HD22 LEU 27 6.177 7.376 -21.556 224 HD23 LEU 27 HD23 LEU 27 7.774 8.084 -21.821 225 H ASP 28 H ASP 28 1.994 8.107 -19.006 226 HA ASP 28 HA ASP 28 0.486 7.397 -17.501 227 HB2 ASP 28 HB2 ASP 28 0.924 5.389 -18.888 228 HB3 ASP 28 HB3 ASP 28 2.044 4.801 -17.646 229 H LYS 29 H LYS 29 2.604 8.831 -16.299 230 HA LYS 29 HA LYS 29 3.225 7.487 -13.767 231 HB2 LYS 29 HB2 LYS 29 4.412 9.454 -15.374 232 HB3 LYS 29 HB3 LYS 29 3.823 10.354 -13.972 233 HG2 LYS 29 HG2 LYS 29 5.586 7.860 -13.876 234 HG3 LYS 29 HG3 LYS 29 6.168 9.524 -13.717 235 HD2 LYS 29 HD2 LYS 29 4.581 9.785 -11.745 236 HD3 LYS 29 HD3 LYS 29 4.345 8.026 -11.813 237 HE2 LYS 29 HE2 LYS 29 7.010 9.465 -11.477 238 HE3 LYS 29 HE3 LYS 29 6.091 8.681 -10.184 239 HZ1 LYS 29 HZ1 LYS 29 7.808 7.255 -10.999 240 HZ2 LYS 29 HZ2 LYS 29 6.353 6.598 -11.399 241 HZ3 LYS 29 HZ3 LYS 29 7.250 7.355 -12.547 242 H THR 30 H THR 30 2.730 8.697 -11.667 243 HA THR 30 HA THR 30 0.012 9.920 -11.836 244 HB THR 30 HB THR 30 1.084 8.258 -9.523 245 HG1 THR 30 HG1 THR 30 -0.258 6.652 -10.417 246 HG21 THR 30 HG21 THR 30 -1.702 9.217 -10.322 247 HG22 THR 30 HG22 THR 30 -1.323 8.167 -8.935 248 HG23 THR 30 HG23 THR 30 -0.740 9.846 -8.973 249 HA PRO 31 HA PRO 31 2.965 13.012 -9.988 250 HB2 PRO 31 HB2 PRO 31 1.978 15.209 -11.310 251 HB3 PRO 31 HB3 PRO 31 3.231 14.124 -11.992 252 HG2 PRO 31 HG2 PRO 31 0.237 14.039 -12.487 253 HG3 PRO 31 HG3 PRO 31 1.562 14.002 -13.699 254 HD2 PRO 31 HD2 PRO 31 0.378 11.723 -12.864 255 HD3 PRO 31 HD3 PRO 31 2.152 11.782 -13.115 256 H VAL 32 H VAL 32 2.378 14.809 -8.527 257 HA VAL 32 HA VAL 32 -0.420 14.458 -7.548 258 HB VAL 32 HB VAL 32 0.448 14.592 -5.267 259 HG11 VAL 32 HG11 VAL 32 1.912 12.474 -6.886 260 HG12 VAL 32 HG12 VAL 32 1.411 12.385 -5.183 261 HG13 VAL 32 HG13 VAL 32 0.182 12.401 -6.468 262 HG21 VAL 32 HG21 VAL 32 2.527 15.886 -5.673 263 HG22 VAL 32 HG22 VAL 32 2.871 14.349 -4.846 264 HG23 VAL 32 HG23 VAL 32 3.205 14.509 -6.578 265 H GLY 33 H GLY 33 1.851 16.772 -8.664 266 HA2 GLY 33 HA2 GLY 33 0.107 18.908 -8.543 267 HA3 GLY 33 HA3 GLY 33 0.936 18.956 -6.982 268 H THR 34 H THR 34 1.221 21.096 -8.460 269 HA THR 34 HA THR 34 4.072 21.056 -9.261 270 HB THR 34 HB THR 34 1.804 22.327 -10.853 271 HG1 THR 34 HG1 THR 34 2.475 20.870 -12.438 272 HG21 THR 34 HG21 THR 34 3.586 22.945 -12.450 273 HG22 THR 34 HG22 THR 34 3.834 23.722 -10.876 274 HG23 THR 34 HG23 THR 34 4.813 22.304 -11.332 275 H VAL 35 H VAL 35 5.151 22.864 -8.503 276 HA VAL 35 HA VAL 35 3.530 25.110 -7.454 277 HB VAL 35 HB VAL 35 4.908 25.132 -5.384 278 HG11 VAL 35 HG11 VAL 35 3.339 22.553 -5.808 279 HG12 VAL 35 HG12 VAL 35 3.692 23.322 -4.254 280 HG13 VAL 35 HG13 VAL 35 2.628 24.139 -5.423 281 HG21 VAL 35 HG21 VAL 35 6.116 23.107 -4.713 282 HG22 VAL 35 HG22 VAL 35 5.748 22.341 -6.272 283 HG23 VAL 35 HG23 VAL 35 6.810 23.773 -6.205 284 H ASP 36 H ASP 36 4.730 27.039 -7.044 285 HA ASP 36 HA ASP 36 6.827 27.400 -9.092 286 HB2 ASP 36 HB2 ASP 36 4.781 28.714 -9.257 287 HB3 ASP 36 HB3 ASP 36 4.996 29.299 -7.600 288 H THR 37 H THR 37 6.687 26.848 -5.779 289 HA THR 37 HA THR 37 9.415 27.871 -5.434 290 HB THR 37 HB THR 37 8.122 29.814 -4.775 291 HG1 THR 37 HG1 THR 37 8.885 29.944 -2.666 292 HG21 THR 37 HG21 THR 37 6.687 27.963 -2.821 293 HG22 THR 37 HG22 THR 37 6.522 29.731 -2.900 294 HG23 THR 37 HG23 THR 37 5.957 28.736 -4.251 295 H VAL 38 H VAL 38 10.441 27.033 -3.485 296 HA VAL 38 HA VAL 38 9.759 24.260 -3.102 297 HB VAL 38 HB VAL 38 11.774 26.031 -1.654 298 HG11 VAL 38 HG11 VAL 38 11.564 23.002 -1.961 299 HG12 VAL 38 HG12 VAL 38 12.951 23.871 -1.254 300 HG13 VAL 38 HG13 VAL 38 11.374 23.927 -0.450 301 HG21 VAL 38 HG21 VAL 38 13.393 25.052 -3.275 302 HG22 VAL 38 HG22 VAL 38 12.044 24.263 -4.125 303 HG23 VAL 38 HG23 VAL 38 12.160 26.037 -4.087 304 H ALA 39 H ALA 39 8.939 27.237 -1.417 305 HA ALA 39 HA ALA 39 8.310 26.013 1.116 306 HB1 ALA 39 HB1 ALA 39 7.299 28.568 -0.201 307 HB2 ALA 39 HB2 ALA 39 7.113 28.142 1.518 308 HB3 ALA 39 HB3 ALA 39 8.735 28.427 0.841 309 H GLY 40 H GLY 40 6.657 26.289 -1.993 310 HA2 GLY 40 HA2 GLY 40 4.039 25.553 -0.939 311 HA3 GLY 40 HA3 GLY 40 4.526 25.683 -2.644 312 H ALA 41 H ALA 41 6.960 23.888 -1.965 313 HA ALA 41 HA ALA 41 5.657 21.399 -2.656 314 HB1 ALA 41 HB1 ALA 41 8.539 22.040 -1.904 315 HB2 ALA 41 HB2 ALA 41 7.968 20.518 -2.628 316 HB3 ALA 41 HB3 ALA 41 7.861 22.044 -3.546 317 H LEU 42 H LEU 42 7.177 22.787 0.287 318 HA LEU 42 HA LEU 42 6.849 20.376 1.842 319 HB2 LEU 42 HB2 LEU 42 8.522 22.116 2.350 320 HB3 LEU 42 HB3 LEU 42 7.228 23.289 2.657 321 HG LEU 42 HG LEU 42 6.415 21.913 4.552 322 HD11 LEU 42 HD11 LEU 42 7.137 19.673 3.812 323 HD12 LEU 42 HD12 LEU 42 8.841 20.174 3.913 324 HD13 LEU 42 HD13 LEU 42 7.851 20.051 5.386 325 HD21 LEU 42 HD21 LEU 42 8.088 23.695 4.926 326 HD22 LEU 42 HD22 LEU 42 8.320 22.342 6.054 327 HD23 LEU 42 HD23 LEU 42 9.399 22.518 4.651 328 H ALA 43 H ALA 43 4.852 23.239 1.113 329 HA ALA 43 HA ALA 43 2.869 22.738 3.118 330 HB1 ALA 43 HB1 ALA 43 2.681 24.199 0.453 331 HB2 ALA 43 HB2 ALA 43 1.523 24.315 1.793 332 HB3 ALA 43 HB3 ALA 43 3.185 24.919 2.003 333 H ARG 44 H ARG 44 3.526 21.319 -0.049 334 HA ARG 44 HA ARG 44 0.842 20.192 -0.269 335 HB2 ARG 44 HB2 ARG 44 2.277 20.915 -2.219 336 HB3 ARG 44 HB3 ARG 44 3.354 19.557 -1.857 337 HG2 ARG 44 HG2 ARG 44 1.801 18.959 -3.659 338 HG3 ARG 44 HG3 ARG 44 1.476 17.975 -2.230 339 HD2 ARG 44 HD2 ARG 44 -0.614 18.753 -3.251 340 HD3 ARG 44 HD3 ARG 44 -0.424 19.437 -1.630 341 HE ARG 44 HE ARG 44 0.634 21.172 -3.707 342 HH11 ARG 44 HH11 ARG 44 -2.356 20.193 -2.054 343 HH12 ARG 44 HH12 ARG 44 -3.171 21.689 -2.424 344 HH21 ARG 44 HH21 ARG 44 -0.469 23.101 -4.158 345 HH22 ARG 44 HH22 ARG 44 -2.113 23.329 -3.608 346 H VAL 45 H VAL 45 3.968 19.232 1.061 347 HA VAL 45 HA VAL 45 3.333 16.410 1.265 348 HB VAL 45 HB VAL 45 5.348 18.202 2.684 349 HG11 VAL 45 HG11 VAL 45 6.449 16.080 3.380 350 HG12 VAL 45 HG12 VAL 45 4.868 16.292 4.146 351 HG13 VAL 45 HG13 VAL 45 5.049 15.169 2.774 352 HG21 VAL 45 HG21 VAL 45 6.964 17.056 1.232 353 HG22 VAL 45 HG22 VAL 45 5.660 16.064 0.537 354 HG23 VAL 45 HG23 VAL 45 5.703 17.812 0.238 355 H GLU 46 H GLU 46 2.600 19.301 3.140 356 HA GLU 46 HA GLU 46 1.548 17.787 5.414 357 HB2 GLU 46 HB2 GLU 46 1.397 20.720 4.611 358 HB3 GLU 46 HB3 GLU 46 0.748 20.060 6.122 359 HG2 GLU 46 HG2 GLU 46 3.670 19.923 5.264 360 HG3 GLU 46 HG3 GLU 46 2.995 21.073 6.417 361 H ASP 47 H ASP 47 0.442 18.572 2.267 362 HA ASP 47 HA ASP 47 -2.410 18.578 3.065 363 HB2 ASP 47 HB2 ASP 47 -1.586 20.365 1.596 364 HB3 ASP 47 HB3 ASP 47 -1.002 19.161 0.438 365 H GLY 48 H GLY 48 0.006 16.406 1.875 366 HA2 GLY 48 HA2 GLY 48 -1.716 14.172 1.887 367 HA3 GLY 48 HA3 GLY 48 -1.578 14.722 0.211 368 H GLY 49 H GLY 49 -0.688 12.225 0.773 369 HA2 GLY 49 HA2 GLY 49 2.109 12.153 1.500 370 HA3 GLY 49 HA3 GLY 49 1.152 10.824 0.844 371 H ILE 50 H ILE 50 3.898 11.752 0.194 372 HA ILE 50 HA ILE 50 3.624 11.835 -2.748 373 HB ILE 50 HB ILE 50 5.416 13.731 -1.177 374 HG12 ILE 50 HG12 ILE 50 2.797 14.233 -2.652 375 HG13 ILE 50 HG13 ILE 50 3.139 14.483 -0.930 376 HG21 ILE 50 HG21 ILE 50 5.907 14.703 -3.397 377 HG22 ILE 50 HG22 ILE 50 6.355 13.001 -3.333 378 HG23 ILE 50 HG23 ILE 50 4.858 13.489 -4.165 379 HD11 ILE 50 HD11 ILE 50 3.171 16.626 -2.000 380 HD12 ILE 50 HD12 ILE 50 4.848 16.211 -1.585 381 HD13 ILE 50 HD13 ILE 50 4.272 16.057 -3.267 382 H ASP 51 H ASP 51 5.511 10.852 -3.783 383 HA ASP 51 HA ASP 51 7.023 9.168 -1.843 384 HB2 ASP 51 HB2 ASP 51 6.587 8.809 -4.827 385 HB3 ASP 51 HB3 ASP 51 7.479 7.716 -3.761 386 H ALA 52 H ALA 52 7.438 11.572 -4.429 387 HA ALA 52 HA ALA 52 10.100 12.186 -3.435 388 HB1 ALA 52 HB1 ALA 52 9.784 11.013 -6.226 389 HB2 ALA 52 HB2 ALA 52 11.271 11.733 -5.568 390 HB3 ALA 52 HB3 ALA 52 10.619 10.238 -4.859 391 H ALA 53 H ALA 53 11.119 13.930 -4.981 392 HA ALA 53 HA ALA 53 9.094 15.428 -6.514 393 HB1 ALA 53 HB1 ALA 53 10.618 16.611 -4.159 394 HB2 ALA 53 HB2 ALA 53 9.571 17.508 -5.279 395 HB3 ALA 53 HB3 ALA 53 8.868 16.273 -4.208 396 H ILE 54 H ILE 54 10.056 17.181 -7.800 397 HA ILE 54 HA ILE 54 12.984 16.798 -8.257 398 HB ILE 54 HB ILE 54 10.807 17.459 -10.273 399 HG12 ILE 54 HG12 ILE 54 12.596 15.006 -9.936 400 HG13 ILE 54 HG13 ILE 54 10.869 15.081 -9.550 401 HG21 ILE 54 HG21 ILE 54 13.813 17.101 -10.641 402 HG22 ILE 54 HG22 ILE 54 12.622 17.417 -11.929 403 HG23 ILE 54 HG23 ILE 54 12.945 18.654 -10.712 404 HD11 ILE 54 HD11 ILE 54 11.152 14.031 -11.720 405 HD12 ILE 54 HD12 ILE 54 10.367 15.610 -11.934 406 HD13 ILE 54 HD13 ILE 54 12.095 15.402 -12.321 407 H LEU 55 H LEU 55 14.226 18.591 -8.114 408 HA LEU 55 HA LEU 55 12.822 21.156 -7.499 409 HB2 LEU 55 HB2 LEU 55 15.318 19.834 -6.392 410 HB3 LEU 55 HB3 LEU 55 15.050 21.568 -6.241 411 HG LEU 55 HG LEU 55 14.440 20.324 -4.217 412 HD11 LEU 55 HD11 LEU 55 13.380 22.485 -4.769 413 HD12 LEU 55 HD12 LEU 55 12.056 21.619 -5.593 414 HD13 LEU 55 HD13 LEU 55 12.292 21.421 -3.845 415 HD21 LEU 55 HD21 LEU 55 12.087 19.201 -5.769 416 HD22 LEU 55 HD22 LEU 55 13.548 18.260 -5.361 417 HD23 LEU 55 HD23 LEU 55 12.512 18.909 -4.072 418 H ASP 56 H ASP 56 13.370 22.943 -8.659 419 HA ASP 56 HA ASP 56 15.422 22.705 -10.733 420 HB2 ASP 56 HB2 ASP 56 13.202 23.888 -10.988 421 HB3 ASP 56 HB3 ASP 56 13.824 25.149 -9.909 422 H VAL 57 H VAL 57 17.397 23.900 -10.775 423 HA VAL 57 HA VAL 57 18.525 24.247 -8.110 424 HB VAL 57 HB VAL 57 19.763 24.638 -10.860 425 HG11 VAL 57 HG11 VAL 57 20.966 24.381 -8.075 426 HG12 VAL 57 HG12 VAL 57 21.899 24.179 -9.578 427 HG13 VAL 57 HG13 VAL 57 21.146 25.740 -9.210 428 HG21 VAL 57 HG21 VAL 57 18.939 22.337 -10.541 429 HG22 VAL 57 HG22 VAL 57 20.711 22.363 -10.416 430 HG23 VAL 57 HG23 VAL 57 19.717 22.262 -8.945 431 H ASN 58 H ASN 58 16.865 26.315 -10.269 432 HA ASN 58 HA ASN 58 18.043 28.697 -8.910 433 HB2 ASN 58 HB2 ASN 58 17.091 28.379 -11.778 434 HB3 ASN 58 HB3 ASN 58 17.466 29.932 -11.031 435 HD21 ASN 58 HD21 ASN 58 20.459 28.732 -12.941 436 HD22 ASN 58 HD22 ASN 58 18.779 29.035 -13.335 437 H LEU 59 H LEU 59 16.656 30.422 -8.468 438 HA LEU 59 HA LEU 59 13.769 30.141 -8.876 439 HB2 LEU 59 HB2 LEU 59 14.213 28.852 -6.786 440 HB3 LEU 59 HB3 LEU 59 15.028 30.264 -6.099 441 HG LEU 59 HG LEU 59 12.905 31.549 -6.233 442 HD11 LEU 59 HD11 LEU 59 11.823 30.373 -8.127 443 HD12 LEU 59 HD12 LEU 59 11.732 28.886 -7.163 444 HD13 LEU 59 HD13 LEU 59 10.790 30.317 -6.686 445 HD21 LEU 59 HD21 LEU 59 12.668 28.856 -4.828 446 HD22 LEU 59 HD22 LEU 59 13.493 30.300 -4.191 447 HD23 LEU 59 HD23 LEU 59 11.736 30.317 -4.444 448 H ARG 60 H ARG 60 12.789 32.217 -8.882 449 HA ARG 60 HA ARG 60 14.707 34.408 -9.029 450 HB2 ARG 60 HB2 ARG 60 12.898 35.694 -9.945 451 HB3 ARG 60 HB3 ARG 60 12.930 34.093 -10.705 452 HG2 ARG 60 HG2 ARG 60 11.128 33.403 -9.007 453 HG3 ARG 60 HG3 ARG 60 11.010 35.124 -8.583 454 HD2 ARG 60 HD2 ARG 60 10.593 35.634 -11.010 455 HD3 ARG 60 HD3 ARG 60 10.556 33.891 -11.336 456 HE ARG 60 HE ARG 60 8.478 35.515 -10.110 457 HH11 ARG 60 HH11 ARG 60 9.781 32.208 -10.310 458 HH12 ARG 60 HH12 ARG 60 8.246 31.486 -9.894 459 HH21 ARG 60 HH21 ARG 60 6.532 34.502 -9.521 460 HH22 ARG 60 HH22 ARG 60 6.476 32.754 -9.361 461 H GLY 61 H GLY 61 15.052 35.993 -7.609 462 HA2 GLY 61 HA2 GLY 61 14.962 37.236 -5.695 463 HA3 GLY 61 HA3 GLY 61 13.251 36.814 -5.542 464 H GLY 62 H GLY 62 14.841 37.075 -3.293 465 HA2 GLY 62 HA2 GLY 62 15.243 36.010 -1.303 466 HA3 GLY 62 HA3 GLY 62 14.248 34.685 -1.910 467 H GLU 63 H GLU 63 15.672 33.272 -0.736 468 HA GLU 63 HA GLU 63 18.424 32.940 -1.706 469 HB2 GLU 63 HB2 GLU 63 17.782 32.760 0.695 470 HB3 GLU 63 HB3 GLU 63 16.819 31.324 0.308 471 HG2 GLU 63 HG2 GLU 63 18.843 30.142 -0.447 472 HG3 GLU 63 HG3 GLU 63 19.813 31.604 -0.199 473 H LYS 64 H LYS 64 19.167 30.770 -2.441 474 HA LYS 64 HA LYS 64 17.668 29.861 -4.681 475 HB2 LYS 64 HB2 LYS 64 20.124 29.782 -4.452 476 HB3 LYS 64 HB3 LYS 64 19.977 28.556 -3.179 477 HG2 LYS 64 HG2 LYS 64 18.917 27.003 -4.757 478 HG3 LYS 64 HG3 LYS 64 18.952 28.229 -6.033 479 HD2 LYS 64 HD2 LYS 64 21.404 27.082 -4.624 480 HD3 LYS 64 HD3 LYS 64 20.800 26.518 -6.188 481 HE2 LYS 64 HE2 LYS 64 21.780 29.339 -5.578 482 HE3 LYS 64 HE3 LYS 64 22.681 28.085 -6.449 483 HZ1 LYS 64 HZ1 LYS 64 21.629 29.546 -7.990 484 HZ2 LYS 64 HZ2 LYS 64 20.891 28.078 -8.089 485 HZ3 LYS 64 HZ3 LYS 64 20.148 29.310 -7.310 486 H SER 65 H SER 65 17.586 28.963 -1.324 487 HA SER 65 HA SER 65 16.433 27.490 -0.125 488 HB2 SER 65 HB2 SER 65 14.097 27.278 -0.595 489 HB3 SER 65 HB3 SER 65 14.641 28.915 -0.997 490 HG SER 65 HG SER 65 14.764 28.180 -3.197 491 H THR 66 H THR 66 18.233 26.206 -2.224 492 HA THR 66 HA THR 66 16.878 23.600 -2.505 493 HB THR 66 HB THR 66 19.037 22.965 -3.642 494 HG1 THR 66 HG1 THR 66 20.373 24.698 -4.222 495 HG21 THR 66 HG21 THR 66 17.472 25.341 -4.730 496 HG22 THR 66 HG22 THR 66 18.528 24.282 -5.690 497 HG23 THR 66 HG23 THR 66 17.061 23.629 -4.925 498 HA PRO 67 HA PRO 67 20.610 22.721 0.534 499 HB2 PRO 67 HB2 PRO 67 19.809 24.870 2.486 500 HB3 PRO 67 HB3 PRO 67 21.433 24.170 2.184 501 HG2 PRO 67 HG2 PRO 67 20.811 26.590 1.161 502 HG3 PRO 67 HG3 PRO 67 21.638 25.377 0.119 503 HD2 PRO 67 HD2 PRO 67 18.681 26.028 0.258 504 HD3 PRO 67 HD3 PRO 67 19.738 25.869 -1.180 505 H VAL 68 H VAL 68 17.248 23.605 1.067 506 HA VAL 68 HA VAL 68 17.007 22.016 3.505 507 HB VAL 68 HB VAL 68 14.632 22.601 3.408 508 HG11 VAL 68 HG11 VAL 68 14.879 25.025 3.637 509 HG12 VAL 68 HG12 VAL 68 16.268 24.200 4.370 510 HG13 VAL 68 HG13 VAL 68 16.438 24.979 2.780 511 HG21 VAL 68 HG21 VAL 68 14.305 22.512 0.965 512 HG22 VAL 68 HG22 VAL 68 13.778 24.075 1.630 513 HG23 VAL 68 HG23 VAL 68 15.331 23.955 0.774 514 H ALA 69 H ALA 69 17.145 21.241 0.188 515 HA ALA 69 HA ALA 69 15.153 19.202 0.059 516 HB1 ALA 69 HB1 ALA 69 16.293 20.194 -1.899 517 HB2 ALA 69 HB2 ALA 69 17.829 19.445 -1.382 518 HB3 ALA 69 HB3 ALA 69 16.461 18.424 -1.877 519 H GLU 70 H GLU 70 18.353 19.320 1.556 520 HA GLU 70 HA GLU 70 18.640 16.442 1.726 521 HB2 GLU 70 HB2 GLU 70 20.045 18.706 3.195 522 HB3 GLU 70 HB3 GLU 70 20.525 16.995 3.229 523 HG2 GLU 70 HG2 GLU 70 20.767 17.032 0.752 524 HG3 GLU 70 HG3 GLU 70 20.341 18.747 0.743 525 H ALA 71 H ALA 71 16.849 18.840 3.518 526 HA ALA 71 HA ALA 71 16.582 17.168 5.903 527 HB1 ALA 71 HB1 ALA 71 14.999 19.606 4.981 528 HB2 ALA 71 HB2 ALA 71 14.948 18.861 6.589 529 HB3 ALA 71 HB3 ALA 71 16.447 19.634 6.018 530 H LEU 72 H LEU 72 14.997 17.601 2.766 531 HA LEU 72 HA LEU 72 12.655 16.030 3.477 532 HB2 LEU 72 HB2 LEU 72 13.888 16.640 0.753 533 HB3 LEU 72 HB3 LEU 72 12.281 15.958 1.040 534 HG LEU 72 HG LEU 72 13.229 18.717 1.918 535 HD11 LEU 72 HD11 LEU 72 11.248 17.836 -0.226 536 HD12 LEU 72 HD12 LEU 72 11.645 19.516 0.209 537 HD13 LEU 72 HD13 LEU 72 12.883 18.478 -0.523 538 HD21 LEU 72 HD21 LEU 72 11.554 17.841 3.489 539 HD22 LEU 72 HD22 LEU 72 10.827 19.090 2.455 540 HD23 LEU 72 HD23 LEU 72 10.500 17.371 2.131 541 H ALA 73 H ALA 73 15.948 15.363 2.308 542 HA ALA 73 HA ALA 73 15.430 12.571 1.745 543 HB1 ALA 73 HB1 ALA 73 18.011 14.088 2.323 544 HB2 ALA 73 HB2 ALA 73 17.912 12.417 1.715 545 HB3 ALA 73 HB3 ALA 73 17.314 13.754 0.719 546 H ALA 74 H ALA 74 16.120 14.470 4.634 547 HA ALA 74 HA ALA 74 16.599 12.099 6.291 548 HB1 ALA 74 HB1 ALA 74 16.024 14.997 7.035 549 HB2 ALA 74 HB2 ALA 74 16.588 13.724 8.139 550 HB3 ALA 74 HB3 ALA 74 17.639 14.284 6.819 551 H ARG 75 H ARG 75 13.902 13.723 4.940 552 HA ARG 75 HA ARG 75 12.012 12.592 6.896 553 HB2 ARG 75 HB2 ARG 75 11.870 14.971 6.032 554 HB3 ARG 75 HB3 ARG 75 11.449 14.312 4.448 555 HG2 ARG 75 HG2 ARG 75 9.459 15.037 5.715 556 HG3 ARG 75 HG3 ARG 75 9.403 13.306 5.382 557 HD2 ARG 75 HD2 ARG 75 8.698 13.810 7.684 558 HD3 ARG 75 HD3 ARG 75 10.160 12.814 7.672 559 HE ARG 75 HE ARG 75 10.795 15.631 7.781 560 HH11 ARG 75 HH11 ARG 75 9.679 12.923 9.760 561 HH12 ARG 75 HH12 ARG 75 10.310 13.597 11.246 562 HH21 ARG 75 HH21 ARG 75 11.605 16.483 9.736 563 HH22 ARG 75 HH22 ARG 75 11.383 15.613 11.236 564 H ASP 76 H ASP 76 13.764 11.160 4.759 565 HA ASP 76 HA ASP 76 13.646 9.390 3.428 566 HB2 ASP 76 HB2 ASP 76 12.466 8.507 5.421 567 HB3 ASP 76 HB3 ASP 76 10.923 8.872 4.644 568 H ILE 77 H ILE 77 12.726 11.933 2.310 569 HA ILE 77 HA ILE 77 11.178 10.800 0.026 570 HB ILE 77 HB ILE 77 11.155 13.645 1.088 571 HG12 ILE 77 HG12 ILE 77 9.003 11.487 1.009 572 HG13 ILE 77 HG13 ILE 77 9.862 12.029 2.465 573 HG21 ILE 77 HG21 ILE 77 9.641 12.367 -1.232 574 HG22 ILE 77 HG22 ILE 77 9.510 14.062 -0.698 575 HG23 ILE 77 HG23 ILE 77 11.015 13.482 -1.408 576 HD11 ILE 77 HD11 ILE 77 8.970 14.329 2.098 577 HD12 ILE 77 HD12 ILE 77 8.001 13.714 0.735 578 HD13 ILE 77 HD13 ILE 77 7.696 13.117 2.375 579 HA PRO 78 HA PRO 78 15.228 11.820 -1.743 580 HB2 PRO 78 HB2 PRO 78 15.034 10.341 -4.009 581 HB3 PRO 78 HB3 PRO 78 15.276 9.587 -2.398 582 HG2 PRO 78 HG2 PRO 78 12.666 9.987 -3.890 583 HG3 PRO 78 HG3 PRO 78 13.287 8.471 -3.158 584 HD2 PRO 78 HD2 PRO 78 11.531 10.096 -1.845 585 HD3 PRO 78 HD3 PRO 78 12.843 9.250 -0.964 586 H PHE 79 H PHE 79 15.956 12.888 -3.739 587 HA PHE 79 HA PHE 79 13.871 14.186 -5.352 588 HB2 PHE 79 HB2 PHE 79 14.663 16.433 -4.809 589 HB3 PHE 79 HB3 PHE 79 14.059 15.619 -3.361 590 HD1 PHE 79 HD1 PHE 79 15.588 14.911 -1.578 591 HD2 PHE 79 HD2 PHE 79 17.032 16.967 -5.067 592 HE1 PHE 79 HE1 PHE 79 17.747 15.353 -0.433 593 HE2 PHE 79 HE2 PHE 79 19.186 17.399 -3.921 594 HZ PHE 79 HZ PHE 79 19.533 16.592 -1.586 595 H VAL 80 H VAL 80 14.872 15.617 -7.040 596 HA VAL 80 HA VAL 80 17.670 14.923 -7.737 597 HB VAL 80 HB VAL 80 15.296 14.650 -9.633 598 HG11 VAL 80 HG11 VAL 80 18.282 14.149 -10.003 599 HG12 VAL 80 HG12 VAL 80 17.017 13.713 -11.175 600 HG13 VAL 80 HG13 VAL 80 17.312 15.418 -10.791 601 HG21 VAL 80 HG21 VAL 80 15.348 12.741 -8.111 602 HG22 VAL 80 HG22 VAL 80 15.966 12.240 -9.700 603 HG23 VAL 80 HG23 VAL 80 17.095 12.538 -8.365 604 H PHE 81 H PHE 81 18.728 16.577 -8.891 605 HA PHE 81 HA PHE 81 17.367 19.189 -8.837 606 HB2 PHE 81 HB2 PHE 81 20.179 18.360 -9.609 607 HB3 PHE 81 HB3 PHE 81 19.605 20.021 -9.554 608 HD1 PHE 81 HD1 PHE 81 21.850 18.294 -7.972 609 HD2 PHE 81 HD2 PHE 81 18.046 20.049 -7.001 610 HE1 PHE 81 HE1 PHE 81 22.545 18.475 -5.601 611 HE2 PHE 81 HE2 PHE 81 18.733 20.218 -4.627 612 HZ PHE 81 HZ PHE 81 20.987 19.442 -3.924 613 H ALA 82 H ALA 82 17.166 20.558 -10.699 614 HA ALA 82 HA ALA 82 17.673 19.311 -13.335 615 HB1 ALA 82 HB1 ALA 82 14.991 20.453 -12.470 616 HB2 ALA 82 HB2 ALA 82 15.413 19.917 -14.113 617 HB3 ALA 82 HB3 ALA 82 15.349 18.740 -12.784 618 H THR 83 H THR 83 18.790 20.740 -14.534 619 HA THR 83 HA THR 83 17.995 23.500 -14.777 620 HB THR 83 HB THR 83 19.194 23.569 -12.591 621 HG1 THR 83 HG1 THR 83 19.250 25.374 -13.874 622 HG21 THR 83 HG21 THR 83 21.629 23.255 -12.526 623 HG22 THR 83 HG22 THR 83 20.824 21.743 -12.991 624 HG23 THR 83 HG23 THR 83 21.631 22.739 -14.225 625 H GLY 84 H GLY 84 19.337 24.648 -16.390 626 HA2 GLY 84 HA2 GLY 84 20.621 22.798 -18.297 627 HA3 GLY 84 HA3 GLY 84 20.213 24.499 -18.578 628 H GLY 85 H GLY 85 22.829 22.691 -18.625 629 HA2 GLY 85 HA2 GLY 85 24.817 24.471 -18.445 630 HA3 GLY 85 HA3 GLY 85 24.523 24.180 -16.726 631 H SER 86 H SER 86 26.640 23.332 -16.541 632 HA SER 86 HA SER 86 26.893 20.501 -17.426 633 HB2 SER 86 HB2 SER 86 29.049 22.644 -17.484 634 HB3 SER 86 HB3 SER 86 29.308 20.913 -17.806 635 HG SER 86 HG SER 86 29.001 22.135 -19.720 636 H ASP 87 H ASP 87 28.764 19.440 -16.112 637 HA ASP 87 HA ASP 87 27.932 19.576 -13.381 638 HB2 ASP 87 HB2 ASP 87 30.288 18.161 -14.679 639 HB3 ASP 87 HB3 ASP 87 29.680 17.852 -13.047 640 H ASP 88 H ASP 88 30.194 21.520 -15.071 641 HA ASP 88 HA ASP 88 31.777 22.052 -12.639 642 HB2 ASP 88 HB2 ASP 88 33.212 23.363 -14.113 643 HB3 ASP 88 HB3 ASP 88 32.965 21.739 -14.755 644 H SER 89 H SER 89 28.831 22.982 -13.708 645 HA SER 89 HA SER 89 29.136 25.833 -12.917 646 HB2 SER 89 HB2 SER 89 26.822 24.394 -14.275 647 HB3 SER 89 HB3 SER 89 26.913 26.131 -13.924 648 HG SER 89 HG SER 89 28.726 24.677 -15.553 649 H VAL 90 H VAL 90 28.775 23.072 -11.315 650 HA VAL 90 HA VAL 90 26.980 24.256 -9.278 651 HB VAL 90 HB VAL 90 26.046 21.953 -8.913 652 HG11 VAL 90 HG11 VAL 90 24.273 22.187 -10.554 653 HG12 VAL 90 HG12 VAL 90 24.722 23.766 -9.898 654 HG13 VAL 90 HG13 VAL 90 25.276 23.295 -11.528 655 HG21 VAL 90 HG21 VAL 90 27.031 21.491 -11.766 656 HG22 VAL 90 HG22 VAL 90 27.662 20.686 -10.307 657 HG23 VAL 90 HG23 VAL 90 25.992 20.401 -10.829 658 H ASP 91 H ASP 91 27.244 23.420 -7.171 659 HA ASP 91 HA ASP 91 29.988 22.899 -6.486 660 HB2 ASP 91 HB2 ASP 91 28.456 24.309 -5.171 661 HB3 ASP 91 HB3 ASP 91 27.449 22.897 -4.823 662 H SER 92 H SER 92 30.468 21.113 -4.771 663 HA SER 92 HA SER 92 30.356 18.653 -6.159 664 HB2 SER 92 HB2 SER 92 31.431 17.745 -4.139 665 HB3 SER 92 HB3 SER 92 32.151 19.297 -4.616 666 HG SER 92 HG SER 92 31.691 19.173 -2.367 667 H ARG 93 H ARG 93 28.023 20.040 -3.935 668 HA ARG 93 HA ARG 93 26.858 17.534 -3.091 669 HB2 ARG 93 HB2 ARG 93 24.992 18.940 -2.327 670 HB3 ARG 93 HB3 ARG 93 26.558 19.593 -1.820 671 HG2 ARG 93 HG2 ARG 93 26.502 21.158 -3.766 672 HG3 ARG 93 HG3 ARG 93 24.870 20.577 -4.154 673 HD2 ARG 93 HD2 ARG 93 25.631 21.768 -1.456 674 HD3 ARG 93 HD3 ARG 93 25.017 22.735 -2.799 675 HE ARG 93 HE ARG 93 22.904 21.675 -2.661 676 HH11 ARG 93 HH11 ARG 93 25.116 20.587 -0.105 677 HH12 ARG 93 HH12 ARG 93 23.810 19.964 0.885 678 HH21 ARG 93 HH21 ARG 93 21.254 20.891 -1.293 679 HH22 ARG 93 HH22 ARG 93 21.673 20.198 0.260 680 H PHE 94 H PHE 94 26.616 19.492 -6.002 681 HA PHE 94 HA PHE 94 24.238 18.025 -6.954 682 HB2 PHE 94 HB2 PHE 94 26.094 19.971 -8.336 683 HB3 PHE 94 HB3 PHE 94 24.558 19.396 -8.973 684 HD1 PHE 94 HD1 PHE 94 22.520 20.482 -8.440 685 HD2 PHE 94 HD2 PHE 94 26.090 21.447 -6.258 686 HE1 PHE 94 HE1 PHE 94 21.350 22.383 -7.377 687 HE2 PHE 94 HE2 PHE 94 24.930 23.377 -5.213 688 HZ PHE 94 HZ PHE 94 22.554 23.839 -5.760 689 H ARG 95 H ARG 95 27.716 17.819 -6.993 690 HA ARG 95 HA ARG 95 27.776 16.024 -9.322 691 HB2 ARG 95 HB2 ARG 95 29.973 16.921 -7.425 692 HB3 ARG 95 HB3 ARG 95 30.202 16.022 -8.937 693 HG2 ARG 95 HG2 ARG 95 29.166 17.910 -10.202 694 HG3 ARG 95 HG3 ARG 95 28.970 18.807 -8.686 695 HD2 ARG 95 HD2 ARG 95 30.948 19.610 -9.812 696 HD3 ARG 95 HD3 ARG 95 31.436 18.736 -8.347 697 HE ARG 95 HE ARG 95 31.540 16.803 -10.314 698 HH11 ARG 95 HH11 ARG 95 32.950 20.022 -9.975 699 HH12 ARG 95 HH12 ARG 95 34.363 19.633 -10.931 700 HH21 ARG 95 HH21 ARG 95 33.376 16.322 -11.578 701 HH22 ARG 95 HH22 ARG 95 34.599 17.542 -11.830 702 H ASP 96 H ASP 96 27.076 15.743 -6.028 703 HA ASP 96 HA ASP 96 27.855 12.865 -6.009 704 HB2 ASP 96 HB2 ASP 96 28.798 14.303 -4.214 705 HB3 ASP 96 HB3 ASP 96 27.162 14.736 -3.716 706 H ARG 97 H ARG 97 25.181 15.086 -6.155 707 HA ARG 97 HA ARG 97 23.256 12.869 -5.652 708 HB2 ARG 97 HB2 ARG 97 22.901 15.892 -5.691 709 HB3 ARG 97 HB3 ARG 97 21.588 14.730 -5.464 710 HG2 ARG 97 HG2 ARG 97 22.756 13.815 -3.465 711 HG3 ARG 97 HG3 ARG 97 24.024 15.039 -3.655 712 HD2 ARG 97 HD2 ARG 97 22.303 16.833 -3.441 713 HD3 ARG 97 HD3 ARG 97 21.062 15.595 -3.198 714 HE ARG 97 HE ARG 97 22.969 16.583 -1.254 715 HH11 ARG 97 HH11 ARG 97 21.069 13.738 -2.159 716 HH12 ARG 97 HH12 ARG 97 21.054 13.096 -0.532 717 HH21 ARG 97 HH21 ARG 97 22.901 15.740 0.845 718 HH22 ARG 97 HH22 ARG 97 22.115 14.210 1.162 719 HA PRO 98 HA PRO 98 22.352 12.641 -9.939 720 HB2 PRO 98 HB2 PRO 98 19.636 12.279 -10.061 721 HB3 PRO 98 HB3 PRO 98 20.774 11.038 -9.437 722 HG2 PRO 98 HG2 PRO 98 19.197 13.083 -7.842 723 HG3 PRO 98 HG3 PRO 98 19.280 11.307 -7.571 724 HD2 PRO 98 HD2 PRO 98 20.842 12.999 -6.162 725 HD3 PRO 98 HD3 PRO 98 21.533 11.473 -6.784 726 H VAL 99 H VAL 99 21.589 13.790 -11.755 727 HA VAL 99 HA VAL 99 20.284 16.404 -11.288 728 HB VAL 99 HB VAL 99 21.975 17.530 -12.692 729 HG11 VAL 99 HG11 VAL 99 23.190 16.165 -10.261 730 HG12 VAL 99 HG12 VAL 99 23.742 17.675 -11.008 731 HG13 VAL 99 HG13 VAL 99 22.146 17.602 -10.219 732 HG21 VAL 99 HG21 VAL 99 22.846 15.577 -13.924 733 HG22 VAL 99 HG22 VAL 99 24.155 16.456 -13.112 734 HG23 VAL 99 HG23 VAL 99 23.555 14.933 -12.425 735 H LEU 100 H LEU 100 19.396 17.363 -13.192 736 HA LEU 100 HA LEU 100 19.222 15.623 -15.577 737 HB2 LEU 100 HB2 LEU 100 17.324 15.101 -14.063 738 HB3 LEU 100 HB3 LEU 100 16.868 16.804 -14.051 739 HG LEU 100 HG LEU 100 16.385 16.717 -16.475 740 HD11 LEU 100 HD11 LEU 100 16.373 14.538 -17.646 741 HD12 LEU 100 HD12 LEU 100 18.016 14.988 -17.160 742 HD13 LEU 100 HD13 LEU 100 17.125 13.769 -16.224 743 HD21 LEU 100 HD21 LEU 100 15.106 14.457 -14.883 744 HD22 LEU 100 HD22 LEU 100 14.616 16.169 -14.855 745 HD23 LEU 100 HD23 LEU 100 14.430 15.212 -16.344 746 H GLN 101 H GLN 101 18.556 16.793 -17.504 747 HA GLN 101 HA GLN 101 19.557 19.524 -17.522 748 HB2 GLN 101 HB2 GLN 101 18.383 17.765 -19.703 749 HB3 GLN 101 HB3 GLN 101 19.140 19.349 -19.959 750 HG2 GLN 101 HG2 GLN 101 21.251 18.489 -18.943 751 HG3 GLN 101 HG3 GLN 101 20.508 16.896 -18.777 752 HE21 GLN 101 HE21 GLN 101 22.434 16.633 -21.883 753 HE22 GLN 101 HE22 GLN 101 22.693 16.679 -20.151 754 H LYS 102 H LYS 102 18.321 21.293 -18.621 755 HA LYS 102 HA LYS 102 15.719 21.513 -17.351 756 HB2 LYS 102 HB2 LYS 102 17.353 23.355 -17.382 757 HB3 LYS 102 HB3 LYS 102 17.224 23.461 -19.138 758 HG2 LYS 102 HG2 LYS 102 15.874 25.181 -18.081 759 HG3 LYS 102 HG3 LYS 102 14.814 24.034 -18.920 760 HD2 LYS 102 HD2 LYS 102 14.247 22.945 -16.802 761 HD3 LYS 102 HD3 LYS 102 15.438 23.951 -15.935 762 HE2 LYS 102 HE2 LYS 102 14.205 25.979 -16.585 763 HE3 LYS 102 HE3 LYS 102 13.010 24.998 -17.444 764 HZ1 LYS 102 HZ1 LYS 102 12.424 23.974 -15.357 765 HZ2 LYS 102 HZ2 LYS 102 13.558 24.850 -14.553 766 HZ3 LYS 102 HZ3 LYS 102 12.274 25.602 -15.247 767 HA PRO 103 HA PRO 103 14.037 21.536 -21.808 768 HB2 PRO 103 HB2 PRO 103 15.518 20.684 -23.914 769 HB3 PRO 103 HB3 PRO 103 15.611 22.374 -23.309 770 HG2 PRO 103 HG2 PRO 103 17.449 20.051 -22.640 771 HG3 PRO 103 HG3 PRO 103 17.910 21.700 -23.188 772 HD2 PRO 103 HD2 PRO 103 17.899 21.008 -20.564 773 HD3 PRO 103 HD3 PRO 103 17.379 22.642 -21.089 774 H PHE 104 H PHE 104 12.799 19.813 -22.550 775 HA PHE 104 HA PHE 104 13.719 17.090 -21.723 776 HB2 PHE 104 HB2 PHE 104 11.059 18.500 -21.521 777 HB3 PHE 104 HB3 PHE 104 11.126 16.754 -21.692 778 HD1 PHE 104 HD1 PHE 104 13.673 18.640 -19.705 779 HD2 PHE 104 HD2 PHE 104 10.083 16.261 -19.616 780 HE1 PHE 104 HE1 PHE 104 13.961 18.291 -17.285 781 HE2 PHE 104 HE2 PHE 104 10.403 15.894 -17.187 782 HZ PHE 104 HZ PHE 104 12.334 16.921 -16.019 783 H THR 105 H THR 105 13.292 15.363 -23.059 784 HA THR 105 HA THR 105 11.953 15.795 -25.660 785 HB THR 105 HB THR 105 13.797 14.668 -26.853 786 HG1 THR 105 HG1 THR 105 15.792 14.474 -25.744 787 HG21 THR 105 HG21 THR 105 13.739 17.165 -26.767 788 HG22 THR 105 HG22 THR 105 14.807 17.116 -25.342 789 HG23 THR 105 HG23 THR 105 15.388 16.518 -26.906 790 H MET 106 H MET 106 11.534 13.626 -26.733 791 HA MET 106 HA MET 106 10.353 11.885 -24.809 792 HB2 MET 106 HB2 MET 106 10.974 11.528 -27.768 793 HB3 MET 106 HB3 MET 106 10.037 10.378 -26.799 794 HG2 MET 106 HG2 MET 106 8.476 11.772 -27.933 795 HG3 MET 106 HG3 MET 106 8.436 12.185 -26.218 796 HE1 MET 106 HE1 MET 106 7.034 13.959 -28.381 797 HE2 MET 106 HE2 MET 106 7.090 14.343 -26.644 798 HE3 MET 106 HE3 MET 106 7.513 15.585 -27.846 799 H ASP 107 H ASP 107 13.532 11.828 -26.418 800 HA ASP 107 HA ASP 107 14.100 9.124 -25.441 801 HB2 ASP 107 HB2 ASP 107 15.823 11.204 -26.833 802 HB3 ASP 107 HB3 ASP 107 16.314 9.541 -26.483 803 H GLY 108 H GLY 108 14.788 12.488 -24.489 804 HA2 GLY 108 HA2 GLY 108 16.886 11.740 -22.628 805 HA3 GLY 108 HA3 GLY 108 16.128 13.332 -22.829 806 H VAL 109 H VAL 109 13.369 12.152 -22.467 807 HA VAL 109 HA VAL 109 13.390 12.259 -19.539 808 HB VAL 109 HB VAL 109 11.142 12.151 -21.584 809 HG11 VAL 109 HG11 VAL 109 11.059 12.544 -18.557 810 HG12 VAL 109 HG12 VAL 109 9.700 12.824 -19.671 811 HG13 VAL 109 HG13 VAL 109 10.349 11.189 -19.470 812 HG21 VAL 109 HG21 VAL 109 12.534 14.253 -21.510 813 HG22 VAL 109 HG22 VAL 109 10.861 14.511 -20.963 814 HG23 VAL 109 HG23 VAL 109 12.181 14.381 -19.777 815 H ALA 110 H ALA 110 13.089 9.812 -22.086 816 HA ALA 110 HA ALA 110 11.922 7.791 -20.397 817 HB1 ALA 110 HB1 ALA 110 13.681 7.566 -22.881 818 HB2 ALA 110 HB2 ALA 110 12.718 6.254 -22.163 819 HB3 ALA 110 HB3 ALA 110 11.906 7.673 -22.857 820 H LYS 111 H LYS 111 15.225 8.968 -20.999 821 HA LYS 111 HA LYS 111 16.470 6.846 -19.423 822 HB2 LYS 111 HB2 LYS 111 17.582 7.958 -21.335 823 HB3 LYS 111 HB3 LYS 111 17.551 9.498 -20.463 824 HG2 LYS 111 HG2 LYS 111 18.957 8.529 -18.672 825 HG3 LYS 111 HG3 LYS 111 18.950 6.958 -19.511 826 HD2 LYS 111 HD2 LYS 111 20.067 8.005 -21.462 827 HD3 LYS 111 HD3 LYS 111 20.060 9.574 -20.621 828 HE2 LYS 111 HE2 LYS 111 21.421 8.593 -18.796 829 HE3 LYS 111 HE3 LYS 111 21.432 7.037 -19.643 830 HZ1 LYS 111 HZ1 LYS 111 23.422 8.295 -20.072 831 HZ2 LYS 111 HZ2 LYS 111 22.571 8.113 -21.468 832 HZ3 LYS 111 HZ3 LYS 111 22.559 9.555 -20.676 833 H ALA 112 H ALA 112 15.170 10.102 -18.867 834 HA ALA 112 HA ALA 112 16.454 10.439 -16.295 835 HB1 ALA 112 HB1 ALA 112 14.026 11.816 -17.513 836 HB2 ALA 112 HB2 ALA 112 14.975 12.384 -16.124 837 HB3 ALA 112 HB3 ALA 112 15.717 12.319 -17.744 838 H LEU 113 H LEU 113 13.369 9.043 -17.444 839 HA LEU 113 HA LEU 113 12.273 8.863 -14.762 840 HB2 LEU 113 HB2 LEU 113 10.840 9.040 -16.752 841 HB3 LEU 113 HB3 LEU 113 11.496 7.520 -17.381 842 HG LEU 113 HG LEU 113 10.552 6.283 -15.470 843 HD11 LEU 113 HD11 LEU 113 10.654 8.025 -13.728 844 HD12 LEU 113 HD12 LEU 113 9.453 8.998 -14.615 845 HD13 LEU 113 HD13 LEU 113 8.996 7.430 -13.914 846 HD21 LEU 113 HD21 LEU 113 9.184 6.658 -17.504 847 HD22 LEU 113 HD22 LEU 113 8.183 6.547 -16.040 848 HD23 LEU 113 HD23 LEU 113 8.513 8.133 -16.769 849 H ALA 114 H ALA 114 14.266 6.822 -16.895 850 HA ALA 114 HA ALA 114 13.970 4.436 -15.299 851 HB1 ALA 114 HB1 ALA 114 16.152 5.284 -17.249 852 HB2 ALA 114 HB2 ALA 114 15.891 3.638 -16.639 853 HB3 ALA 114 HB3 ALA 114 14.663 4.405 -17.671 854 H ALA 115 H ALA 115 15.992 7.330 -15.099 855 HA ALA 115 HA ALA 115 17.744 6.140 -13.071 856 HB1 ALA 115 HB1 ALA 115 17.508 8.965 -14.180 857 HB2 ALA 115 HB2 ALA 115 18.795 8.373 -13.101 858 HB3 ALA 115 HB3 ALA 115 18.630 7.706 -14.744 859 H LEU 116 H LEU 116 14.706 7.826 -13.174 860 HA LEU 116 HA LEU 116 14.973 8.887 -10.442 861 HB2 LEU 116 HB2 LEU 116 14.015 10.236 -12.222 862 HB3 LEU 116 HB3 LEU 116 12.789 9.023 -12.557 863 HG LEU 116 HG LEU 116 12.093 11.100 -11.293 864 HD11 LEU 116 HD11 LEU 116 11.473 8.502 -9.846 865 HD12 LEU 116 HD12 LEU 116 10.508 9.985 -9.879 866 HD13 LEU 116 HD13 LEU 116 10.713 9.035 -11.364 867 HD21 LEU 116 HD21 LEU 116 12.470 11.211 -8.899 868 HD22 LEU 116 HD22 LEU 116 13.466 9.738 -8.945 869 HD23 LEU 116 HD23 LEU 116 14.023 11.216 -9.762 870 H LEU 117 H LEU 117 13.219 6.325 -12.227 871 HA LEU 117 HA LEU 117 11.630 5.726 -9.872 872 HB2 LEU 117 HB2 LEU 117 10.818 5.837 -12.286 873 HB3 LEU 117 HB3 LEU 117 11.622 4.286 -12.538 874 HG LEU 117 HG LEU 117 10.155 3.238 -10.840 875 HD11 LEU 117 HD11 LEU 117 9.040 6.062 -10.545 876 HD12 LEU 117 HD12 LEU 117 8.213 4.600 -9.957 877 HD13 LEU 117 HD13 LEU 117 9.787 5.059 -9.285 878 HD21 LEU 117 HD21 LEU 117 9.399 3.373 -13.183 879 HD22 LEU 117 HD22 LEU 117 8.029 3.472 -12.056 880 HD23 LEU 117 HD23 LEU 117 8.635 4.944 -12.852 881 H VAL 118 H VAL 118 14.649 5.184 -10.044 882 HA VAL 118 HA VAL 118 14.506 2.353 -9.129 883 HB VAL 118 HB VAL 118 15.521 2.516 -11.377 884 HG11 VAL 118 HG11 VAL 118 16.566 4.769 -11.133 885 HG12 VAL 118 HG12 VAL 118 17.724 4.089 -9.964 886 HG13 VAL 118 HG13 VAL 118 17.737 3.532 -11.647 887 HG21 VAL 118 HG21 VAL 118 16.145 0.726 -9.792 888 HG22 VAL 118 HG22 VAL 118 17.510 1.184 -10.836 889 HG23 VAL 118 HG23 VAL 118 17.456 1.745 -9.154 Start of MODEL 20 1 H1 MET 1 H1 NME 1 5.193 0.158 -2.458 2 H2 MET 1 H2 NME 1 4.983 -0.399 -0.922 3 H3 MET 1 H3 NME 1 5.305 -1.454 -2.145 4 HA MET 1 HA NME 1 7.111 0.625 -1.156 5 HB2 MET 1 HB2 NME 1 8.442 -1.096 -0.181 6 HB3 MET 1 HB3 NME 1 6.795 -1.273 0.434 7 HG2 MET 1 HG2 NME 1 8.025 -2.917 -1.818 8 HG3 MET 1 HG3 NME 1 7.888 -3.431 -0.145 9 HE1 MET 1 HE1 NME 1 6.793 -5.683 -0.906 10 HE2 MET 1 HE2 NME 1 5.384 -5.783 -1.986 11 HE3 MET 1 HE3 NME 1 6.934 -5.151 -2.594 12 H SER 2 H SER 2 9.424 0.136 -1.912 13 HA SER 2 HA SER 2 10.875 0.159 -3.632 14 HB2 SER 2 HB2 SER 2 9.372 -2.326 -4.500 15 HB3 SER 2 HB3 SER 2 11.016 -1.855 -4.982 16 HG SER 2 HG SER 2 11.025 -3.303 -3.214 17 H ALA 3 H ALA 3 8.334 1.695 -4.066 18 HA ALA 3 HA ALA 3 8.783 2.193 -6.924 19 HB1 ALA 3 HB1 ALA 3 6.034 1.491 -5.801 20 HB2 ALA 3 HB2 ALA 3 6.368 2.075 -7.446 21 HB3 ALA 3 HB3 ALA 3 6.995 0.497 -6.923 22 H LEU 4 H LEU 4 7.931 4.228 -7.627 23 HA LEU 4 HA LEU 4 6.803 6.043 -5.628 24 HB2 LEU 4 HB2 LEU 4 8.522 7.774 -6.105 25 HB3 LEU 4 HB3 LEU 4 9.104 6.429 -5.134 26 HG LEU 4 HG LEU 4 9.566 6.442 -8.137 27 HD11 LEU 4 HD11 LEU 4 11.736 7.559 -7.667 28 HD12 LEU 4 HD12 LEU 4 10.356 8.616 -7.322 29 HD13 LEU 4 HD13 LEU 4 11.222 7.818 -5.981 30 HD21 LEU 4 HD21 LEU 4 10.158 4.375 -6.949 31 HD22 LEU 4 HD22 LEU 4 11.623 5.241 -7.455 32 HD23 LEU 4 HD23 LEU 4 11.101 5.319 -5.759 33 H THR 5 H THR 5 5.062 5.524 -7.214 34 HA THR 5 HA THR 5 5.323 6.396 -9.952 35 HB THR 5 HB THR 5 2.720 6.320 -9.706 36 HG1 THR 5 HG1 THR 5 2.124 4.971 -7.926 37 HG21 THR 5 HG21 THR 5 2.707 3.878 -9.873 38 HG22 THR 5 HG22 THR 5 3.961 4.627 -10.880 39 HG23 THR 5 HG23 THR 5 4.414 3.832 -9.338 40 H GLN 6 H GLN 6 5.135 8.221 -7.085 41 HA GLN 6 HA GLN 6 3.563 10.326 -8.480 42 HB2 GLN 6 HB2 GLN 6 3.736 9.749 -5.485 43 HB3 GLN 6 HB3 GLN 6 2.699 10.941 -6.262 44 HG2 GLN 6 HG2 GLN 6 1.514 9.157 -7.493 45 HG3 GLN 6 HG3 GLN 6 2.545 7.927 -6.751 46 HE21 GLN 6 HE21 GLN 6 -0.495 7.721 -4.808 47 HE22 GLN 6 HE22 GLN 6 0.164 7.255 -6.363 48 H ILE 7 H ILE 7 4.631 12.024 -9.009 49 HA ILE 7 HA ILE 7 7.087 12.721 -7.463 50 HB ILE 7 HB ILE 7 6.665 13.086 -10.437 51 HG12 ILE 7 HG12 ILE 7 6.602 10.678 -9.989 52 HG13 ILE 7 HG13 ILE 7 8.090 11.138 -10.812 53 HG21 ILE 7 HG21 ILE 7 9.131 13.187 -8.649 54 HG22 ILE 7 HG22 ILE 7 9.142 13.321 -10.425 55 HG23 ILE 7 HG23 ILE 7 8.334 14.562 -9.443 56 HD11 ILE 7 HD11 ILE 7 8.471 9.484 -9.006 57 HD12 ILE 7 HD12 ILE 7 9.335 11.006 -8.701 58 HD13 ILE 7 HD13 ILE 7 7.826 10.637 -7.821 59 H LEU 8 H LEU 8 7.182 14.729 -6.669 60 HA LEU 8 HA LEU 8 5.167 16.723 -7.424 61 HB2 LEU 8 HB2 LEU 8 6.256 16.084 -5.057 62 HB3 LEU 8 HB3 LEU 8 7.464 17.266 -5.557 63 HG LEU 8 HG LEU 8 4.486 17.678 -5.113 64 HD11 LEU 8 HD11 LEU 8 5.277 19.217 -3.367 65 HD12 LEU 8 HD12 LEU 8 5.968 17.595 -3.124 66 HD13 LEU 8 HD13 LEU 8 6.960 18.892 -3.825 67 HD21 LEU 8 HD21 LEU 8 4.983 19.104 -6.990 68 HD22 LEU 8 HD22 LEU 8 4.927 20.105 -5.536 69 HD23 LEU 8 HD23 LEU 8 6.504 19.662 -6.221 70 H ILE 9 H ILE 9 5.632 18.663 -8.526 71 HA ILE 9 HA ILE 9 8.330 18.800 -9.796 72 HB ILE 9 HB ILE 9 5.609 19.744 -10.743 73 HG12 ILE 9 HG12 ILE 9 7.413 17.605 -11.942 74 HG13 ILE 9 HG13 ILE 9 6.114 17.236 -10.799 75 HG21 ILE 9 HG21 ILE 9 7.406 21.271 -11.489 76 HG22 ILE 9 HG22 ILE 9 8.321 19.885 -12.128 77 HG23 ILE 9 HG23 ILE 9 6.759 20.348 -12.847 78 HD11 ILE 9 HD11 ILE 9 5.337 16.946 -13.108 79 HD12 ILE 9 HD12 ILE 9 4.449 18.257 -12.295 80 HD13 ILE 9 HD13 ILE 9 5.720 18.645 -13.470 81 H VAL 10 H VAL 10 9.547 20.555 -9.367 82 HA VAL 10 HA VAL 10 8.207 22.967 -8.227 83 HB VAL 10 HB VAL 10 10.982 21.928 -7.541 84 HG11 VAL 10 HG11 VAL 10 9.274 24.171 -6.386 85 HG12 VAL 10 HG12 VAL 10 10.857 23.649 -5.767 86 HG13 VAL 10 HG13 VAL 10 10.729 24.377 -7.383 87 HG21 VAL 10 HG21 VAL 10 8.397 21.818 -5.928 88 HG22 VAL 10 HG22 VAL 10 9.296 20.427 -6.577 89 HG23 VAL 10 HG23 VAL 10 10.021 21.433 -5.309 90 H GLU 11 H GLU 11 8.514 24.763 -9.422 91 HA GLU 11 HA GLU 11 10.881 25.051 -11.125 92 HB2 GLU 11 HB2 GLU 11 9.386 25.431 -13.158 93 HB3 GLU 11 HB3 GLU 11 9.661 23.767 -12.646 94 HG2 GLU 11 HG2 GLU 11 7.349 24.030 -13.251 95 HG3 GLU 11 HG3 GLU 11 7.472 23.701 -11.525 96 H ASP 12 H ASP 12 10.933 27.138 -12.270 97 HA ASP 12 HA ASP 12 9.358 29.222 -10.842 98 HB2 ASP 12 HB2 ASP 12 11.773 29.099 -10.214 99 HB3 ASP 12 HB3 ASP 12 12.200 29.418 -11.901 100 H GLU 13 H GLU 13 9.174 27.628 -13.537 101 HA GLU 13 HA GLU 13 8.375 29.950 -15.170 102 HB2 GLU 13 HB2 GLU 13 10.731 29.455 -15.800 103 HB3 GLU 13 HB3 GLU 13 10.294 27.776 -16.094 104 HG2 GLU 13 HG2 GLU 13 10.389 28.917 -18.214 105 HG3 GLU 13 HG3 GLU 13 8.709 28.510 -17.873 106 HA PRO 14 HA PRO 14 5.076 26.972 -15.248 107 HB2 PRO 14 HB2 PRO 14 3.336 28.257 -16.954 108 HB3 PRO 14 HB3 PRO 14 3.638 28.785 -15.267 109 HG2 PRO 14 HG2 PRO 14 4.953 29.824 -17.798 110 HG3 PRO 14 HG3 PRO 14 4.172 30.776 -16.485 111 HD2 PRO 14 HD2 PRO 14 6.845 30.407 -16.530 112 HD3 PRO 14 HD3 PRO 14 5.965 30.291 -14.977 113 H LEU 15 H LEU 15 6.973 27.878 -18.033 114 HA LEU 15 HA LEU 15 5.748 26.066 -19.914 115 HB2 LEU 15 HB2 LEU 15 7.132 27.982 -20.537 116 HB3 LEU 15 HB3 LEU 15 8.553 27.255 -19.774 117 HG LEU 15 HG LEU 15 7.075 25.736 -21.936 118 HD11 LEU 15 HD11 LEU 15 8.502 26.860 -23.626 119 HD12 LEU 15 HD12 LEU 15 7.402 28.008 -22.836 120 HD13 LEU 15 HD13 LEU 15 9.119 27.956 -22.370 121 HD21 LEU 15 HD21 LEU 15 8.986 24.619 -20.758 122 HD22 LEU 15 HD22 LEU 15 9.376 24.946 -22.453 123 HD23 LEU 15 HD23 LEU 15 10.027 25.996 -21.174 124 H ILE 16 H ILE 16 8.118 25.762 -17.300 125 HA ILE 16 HA ILE 16 8.960 23.083 -18.104 126 HB ILE 16 HB ILE 16 9.370 24.633 -15.511 127 HG12 ILE 16 HG12 ILE 16 10.321 25.852 -17.415 128 HG13 ILE 16 HG13 ILE 16 11.589 25.183 -16.382 129 HG21 ILE 16 HG21 ILE 16 11.306 23.079 -15.222 130 HG22 ILE 16 HG22 ILE 16 9.734 22.264 -15.159 131 HG23 ILE 16 HG23 ILE 16 10.733 22.148 -16.625 132 HD11 ILE 16 HD11 ILE 16 10.646 23.984 -19.026 133 HD12 ILE 16 HD12 ILE 16 12.141 24.902 -18.759 134 HD13 ILE 16 HD13 ILE 16 11.931 23.322 -17.987 135 H ALA 17 H ALA 17 6.419 24.524 -16.098 136 HA ALA 17 HA ALA 17 5.911 22.176 -14.527 137 HB1 ALA 17 HB1 ALA 17 3.791 23.313 -13.995 138 HB2 ALA 17 HB2 ALA 17 5.146 24.454 -13.911 139 HB3 ALA 17 HB3 ALA 17 4.059 24.463 -15.322 140 H MET 18 H MET 18 4.757 23.307 -17.729 141 HA MET 18 HA MET 18 2.896 21.051 -17.922 142 HB2 MET 18 HB2 MET 18 2.373 21.977 -20.129 143 HB3 MET 18 HB3 MET 18 2.300 23.228 -18.875 144 HG2 MET 18 HG2 MET 18 4.561 23.998 -19.515 145 HG3 MET 18 HG3 MET 18 4.649 22.735 -20.749 146 HE1 MET 18 HE1 MET 18 1.592 25.107 -19.783 147 HE2 MET 18 HE2 MET 18 3.056 26.111 -19.635 148 HE3 MET 18 HE3 MET 18 1.877 26.437 -20.921 149 H MET 19 H MET 19 6.237 21.715 -18.717 150 HA MET 19 HA MET 19 6.422 19.695 -20.791 151 HB2 MET 19 HB2 MET 19 7.898 21.759 -20.468 152 HB3 MET 19 HB3 MET 19 8.665 20.889 -19.125 153 HG2 MET 19 HG2 MET 19 9.975 20.626 -21.132 154 HG3 MET 19 HG3 MET 19 9.265 19.061 -20.716 155 HE1 MET 19 HE1 MET 19 10.308 18.710 -23.315 156 HE2 MET 19 HE2 MET 19 9.594 19.498 -24.741 157 HE3 MET 19 HE3 MET 19 10.540 20.450 -23.574 158 H LEU 20 H LEU 20 6.896 19.821 -17.251 159 HA LEU 20 HA LEU 20 7.989 17.113 -17.152 160 HB2 LEU 20 HB2 LEU 20 7.311 19.304 -15.215 161 HB3 LEU 20 HB3 LEU 20 7.357 17.653 -14.598 162 HG LEU 20 HG LEU 20 9.516 18.919 -14.368 163 HD11 LEU 20 HD11 LEU 20 9.533 16.349 -15.993 164 HD12 LEU 20 HD12 LEU 20 10.880 16.982 -15.007 165 HD13 LEU 20 HD13 LEU 20 9.361 16.489 -14.230 166 HD21 LEU 20 HD21 LEU 20 9.477 20.059 -16.579 167 HD22 LEU 20 HD22 LEU 20 10.973 19.154 -16.292 168 HD23 LEU 20 HD23 LEU 20 9.728 18.489 -17.374 169 H GLU 21 H GLU 21 4.785 18.640 -16.911 170 HA GLU 21 HA GLU 21 3.502 16.232 -15.903 171 HB2 GLU 21 HB2 GLU 21 2.546 18.800 -17.197 172 HB3 GLU 21 HB3 GLU 21 1.428 17.488 -16.779 173 HG2 GLU 21 HG2 GLU 21 3.327 18.706 -14.738 174 HG3 GLU 21 HG3 GLU 21 1.700 19.334 -15.036 175 H ASP 22 H ASP 22 4.629 17.338 -19.047 176 HA ASP 22 HA ASP 22 2.837 15.628 -20.549 177 HB2 ASP 22 HB2 ASP 22 3.841 17.688 -21.481 178 HB3 ASP 22 HB3 ASP 22 5.448 16.963 -21.342 179 H PHE 23 H PHE 23 6.318 15.392 -19.515 180 HA PHE 23 HA PHE 23 6.483 12.742 -20.693 181 HB2 PHE 23 HB2 PHE 23 8.347 14.372 -18.962 182 HB3 PHE 23 HB3 PHE 23 8.701 12.707 -19.467 183 HD1 PHE 23 HD1 PHE 23 8.626 12.148 -21.965 184 HD2 PHE 23 HD2 PHE 23 8.881 16.162 -20.447 185 HE1 PHE 23 HE1 PHE 23 9.485 12.924 -24.156 186 HE2 PHE 23 HE2 PHE 23 9.730 16.935 -22.640 187 HZ PHE 23 HZ PHE 23 10.036 15.323 -24.498 188 H LEU 24 H LEU 24 5.291 13.963 -17.653 189 HA LEU 24 HA LEU 24 5.715 11.491 -16.209 190 HB2 LEU 24 HB2 LEU 24 5.352 13.628 -15.093 191 HB3 LEU 24 HB3 LEU 24 3.731 13.770 -15.784 192 HG LEU 24 HG LEU 24 4.432 11.323 -14.150 193 HD11 LEU 24 HD11 LEU 24 3.682 14.038 -13.000 194 HD12 LEU 24 HD12 LEU 24 3.812 12.514 -12.091 195 HD13 LEU 24 HD13 LEU 24 5.261 13.230 -12.828 196 HD21 LEU 24 HD21 LEU 24 2.064 11.535 -13.451 197 HD22 LEU 24 HD22 LEU 24 1.916 13.044 -14.383 198 HD23 LEU 24 HD23 LEU 24 2.168 11.501 -15.217 199 H GLU 25 H GLU 25 3.352 12.701 -18.545 200 HA GLU 25 HA GLU 25 1.506 10.489 -18.130 201 HB2 GLU 25 HB2 GLU 25 0.820 12.748 -18.908 202 HB3 GLU 25 HB3 GLU 25 1.733 12.496 -20.409 203 HG2 GLU 25 HG2 GLU 25 0.314 10.566 -20.970 204 HG3 GLU 25 HG3 GLU 25 -0.545 10.726 -19.429 205 H VAL 26 H VAL 26 4.415 11.076 -20.045 206 HA VAL 26 HA VAL 26 4.003 8.878 -21.881 207 HB VAL 26 HB VAL 26 6.506 10.337 -20.940 208 HG11 VAL 26 HG11 VAL 26 6.138 8.341 -23.216 209 HG12 VAL 26 HG12 VAL 26 7.574 9.358 -22.966 210 HG13 VAL 26 HG13 VAL 26 7.153 8.115 -21.774 211 HG21 VAL 26 HG21 VAL 26 4.858 11.701 -22.208 212 HG22 VAL 26 HG22 VAL 26 6.344 11.425 -23.142 213 HG23 VAL 26 HG23 VAL 26 4.874 10.494 -23.508 214 H LEU 27 H LEU 27 5.207 9.176 -18.558 215 HA LEU 27 HA LEU 27 5.953 6.324 -18.487 216 HB2 LEU 27 HB2 LEU 27 6.131 8.665 -16.596 217 HB3 LEU 27 HB3 LEU 27 6.172 7.026 -15.945 218 HG LEU 27 HG LEU 27 8.418 7.954 -16.296 219 HD11 LEU 27 HD11 LEU 27 7.827 5.598 -18.136 220 HD12 LEU 27 HD12 LEU 27 9.383 5.998 -17.392 221 HD13 LEU 27 HD13 LEU 27 8.017 5.501 -16.368 222 HD21 LEU 27 HD21 LEU 27 7.996 9.301 -18.320 223 HD22 LEU 27 HD22 LEU 27 9.356 8.181 -18.538 224 HD23 LEU 27 HD23 LEU 27 7.784 7.804 -19.271 225 H ASP 28 H ASP 28 3.114 8.015 -18.478 226 HA ASP 28 HA ASP 28 1.012 7.638 -17.807 227 HB2 ASP 28 HB2 ASP 28 1.503 5.777 -19.378 228 HB3 ASP 28 HB3 ASP 28 1.851 4.727 -17.995 229 H LYS 29 H LYS 29 2.785 8.123 -15.579 230 HA LYS 29 HA LYS 29 1.543 6.414 -13.492 231 HB2 LYS 29 HB2 LYS 29 3.350 6.899 -12.062 232 HB3 LYS 29 HB3 LYS 29 3.992 6.389 -13.626 233 HG2 LYS 29 HG2 LYS 29 4.433 8.779 -14.211 234 HG3 LYS 29 HG3 LYS 29 3.819 9.261 -12.607 235 HD2 LYS 29 HD2 LYS 29 5.517 7.742 -11.550 236 HD3 LYS 29 HD3 LYS 29 6.139 7.373 -13.163 237 HE2 LYS 29 HE2 LYS 29 6.565 9.881 -13.419 238 HE3 LYS 29 HE3 LYS 29 6.115 10.038 -11.703 239 HZ1 LYS 29 HZ1 LYS 29 7.908 8.517 -11.180 240 HZ2 LYS 29 HZ2 LYS 29 8.309 8.365 -12.766 241 HZ3 LYS 29 HZ3 LYS 29 8.501 9.808 -12.007 242 H THR 30 H THR 30 2.030 8.188 -11.285 243 HA THR 30 HA THR 30 -0.457 9.741 -11.716 244 HB THR 30 HB THR 30 0.821 8.399 -9.326 245 HG1 THR 30 HG1 THR 30 -0.351 7.114 -10.766 246 HG21 THR 30 HG21 THR 30 -1.686 10.138 -9.453 247 HG22 THR 30 HG22 THR 30 -1.244 9.096 -8.079 248 HG23 THR 30 HG23 THR 30 -0.218 10.478 -8.502 249 HA PRO 31 HA PRO 31 1.998 13.421 -10.754 250 HB2 PRO 31 HB2 PRO 31 0.157 15.294 -11.390 251 HB3 PRO 31 HB3 PRO 31 0.922 14.285 -12.665 252 HG2 PRO 31 HG2 PRO 31 -1.752 13.854 -11.298 253 HG3 PRO 31 HG3 PRO 31 -1.411 13.875 -13.062 254 HD2 PRO 31 HD2 PRO 31 -1.533 11.549 -11.592 255 HD3 PRO 31 HD3 PRO 31 -0.424 11.740 -12.986 256 H VAL 32 H VAL 32 1.696 15.221 -9.124 257 HA VAL 32 HA VAL 32 -0.474 14.653 -7.164 258 HB VAL 32 HB VAL 32 1.123 14.876 -5.295 259 HG11 VAL 32 HG11 VAL 32 1.952 12.685 -7.235 260 HG12 VAL 32 HG12 VAL 32 2.106 12.683 -5.466 261 HG13 VAL 32 HG13 VAL 32 0.492 12.633 -6.210 262 HG21 VAL 32 HG21 VAL 32 3.546 14.543 -5.748 263 HG22 VAL 32 HG22 VAL 32 3.239 14.739 -7.479 264 HG23 VAL 32 HG23 VAL 32 2.957 16.110 -6.364 265 H GLY 33 H GLY 33 1.823 16.999 -8.574 266 HA2 GLY 33 HA2 GLY 33 0.097 19.132 -8.452 267 HA3 GLY 33 HA3 GLY 33 0.891 19.167 -6.875 268 H THR 34 H THR 34 1.269 21.335 -8.209 269 HA THR 34 HA THR 34 4.130 21.242 -8.994 270 HB THR 34 HB THR 34 3.668 23.010 -10.685 271 HG1 THR 34 HG1 THR 34 1.657 23.685 -9.856 272 HG21 THR 34 HG21 THR 34 2.695 21.571 -12.427 273 HG22 THR 34 HG22 THR 34 3.861 20.672 -11.440 274 HG23 THR 34 HG23 THR 34 2.114 20.436 -11.186 275 H VAL 35 H VAL 35 5.318 22.950 -8.121 276 HA VAL 35 HA VAL 35 3.821 25.127 -6.779 277 HB VAL 35 HB VAL 35 5.211 24.890 -4.751 278 HG11 VAL 35 HG11 VAL 35 3.979 23.019 -3.773 279 HG12 VAL 35 HG12 VAL 35 2.915 23.944 -4.857 280 HG13 VAL 35 HG13 VAL 35 3.600 22.385 -5.385 281 HG21 VAL 35 HG21 VAL 35 6.021 22.206 -5.951 282 HG22 VAL 35 HG22 VAL 35 7.092 23.606 -5.685 283 HG23 VAL 35 HG23 VAL 35 6.371 22.755 -4.302 284 H ASP 36 H ASP 36 5.104 26.979 -6.276 285 HA ASP 36 HA ASP 36 7.650 27.140 -7.786 286 HB2 ASP 36 HB2 ASP 36 6.989 29.280 -8.705 287 HB3 ASP 36 HB3 ASP 36 5.764 28.072 -9.112 288 H THR 37 H THR 37 6.493 27.142 -4.793 289 HA THR 37 HA THR 37 8.438 29.197 -3.862 290 HB THR 37 HB THR 37 6.918 29.773 -2.027 291 HG1 THR 37 HG1 THR 37 4.768 29.027 -2.151 292 HG21 THR 37 HG21 THR 37 5.278 31.072 -3.293 293 HG22 THR 37 HG22 THR 37 6.842 31.106 -4.131 294 HG23 THR 37 HG23 THR 37 5.541 30.057 -4.729 295 H VAL 38 H VAL 38 9.290 28.766 -1.714 296 HA VAL 38 HA VAL 38 9.846 25.947 -1.374 297 HB VAL 38 HB VAL 38 11.233 26.680 0.504 298 HG11 VAL 38 HG11 VAL 38 11.482 28.590 -1.863 299 HG12 VAL 38 HG12 VAL 38 12.771 28.124 -0.738 300 HG13 VAL 38 HG13 VAL 38 12.071 26.916 -1.836 301 HG21 VAL 38 HG21 VAL 38 11.404 29.071 1.102 302 HG22 VAL 38 HG22 VAL 38 10.070 29.457 -0.003 303 HG23 VAL 38 HG23 VAL 38 9.778 28.447 1.436 304 H ALA 39 H ALA 39 7.469 28.165 -0.070 305 HA ALA 39 HA ALA 39 6.944 26.574 2.306 306 HB1 ALA 39 HB1 ALA 39 5.063 28.158 2.584 307 HB2 ALA 39 HB2 ALA 39 6.587 29.010 2.257 308 HB3 ALA 39 HB3 ALA 39 5.379 28.816 0.961 309 H GLY 40 H GLY 40 5.832 26.622 -1.049 310 HA2 GLY 40 HA2 GLY 40 3.389 25.124 -0.570 311 HA3 GLY 40 HA3 GLY 40 4.193 25.414 -2.124 312 H ALA 41 H ALA 41 6.809 24.321 -1.196 313 HA ALA 41 HA ALA 41 6.245 21.533 -1.784 314 HB1 ALA 41 HB1 ALA 41 8.827 22.971 -1.045 315 HB2 ALA 41 HB2 ALA 41 8.708 21.321 -1.707 316 HB3 ALA 41 HB3 ALA 41 8.218 22.719 -2.691 317 H LEU 42 H LEU 42 7.031 23.456 1.106 318 HA LEU 42 HA LEU 42 7.430 21.107 2.779 319 HB2 LEU 42 HB2 LEU 42 6.991 24.046 3.410 320 HB3 LEU 42 HB3 LEU 42 7.358 22.806 4.622 321 HG LEU 42 HG LEU 42 9.159 23.477 2.257 322 HD11 LEU 42 HD11 LEU 42 9.375 24.210 5.206 323 HD12 LEU 42 HD12 LEU 42 10.597 24.540 3.957 324 HD13 LEU 42 HD13 LEU 42 9.010 25.334 3.873 325 HD21 LEU 42 HD21 LEU 42 9.586 21.732 4.719 326 HD22 LEU 42 HD22 LEU 42 9.459 21.167 3.033 327 HD23 LEU 42 HD23 LEU 42 10.833 22.169 3.523 328 H ALA 43 H ALA 43 4.674 23.011 1.691 329 HA ALA 43 HA ALA 43 2.935 22.079 3.832 330 HB1 ALA 43 HB1 ALA 43 2.335 23.458 1.186 331 HB2 ALA 43 HB2 ALA 43 1.179 23.214 2.518 332 HB3 ALA 43 HB3 ALA 43 2.589 24.265 2.751 333 H ARG 44 H ARG 44 3.930 20.925 0.658 334 HA ARG 44 HA ARG 44 1.674 19.034 0.500 335 HB2 ARG 44 HB2 ARG 44 4.071 19.619 -1.267 336 HB3 ARG 44 HB3 ARG 44 2.951 18.278 -1.567 337 HG2 ARG 44 HG2 ARG 44 1.048 19.832 -1.657 338 HG3 ARG 44 HG3 ARG 44 2.134 21.207 -1.359 339 HD2 ARG 44 HD2 ARG 44 3.364 20.707 -3.429 340 HD3 ARG 44 HD3 ARG 44 2.348 19.290 -3.716 341 HE ARG 44 HE ARG 44 1.624 22.120 -4.098 342 HH11 ARG 44 HH11 ARG 44 0.472 18.787 -3.868 343 HH12 ARG 44 HH12 ARG 44 -1.009 19.106 -4.732 344 HH21 ARG 44 HH21 ARG 44 -0.324 22.522 -5.213 345 HH22 ARG 44 HH22 ARG 44 -1.471 21.235 -5.472 346 H VAL 45 H VAL 45 5.061 18.998 1.592 347 HA VAL 45 HA VAL 45 5.071 16.068 1.630 348 HB VAL 45 HB VAL 45 7.105 17.447 1.182 349 HG11 VAL 45 HG11 VAL 45 8.296 18.460 3.064 350 HG12 VAL 45 HG12 VAL 45 6.687 19.199 2.905 351 HG13 VAL 45 HG13 VAL 45 6.990 17.996 4.179 352 HG21 VAL 45 HG21 VAL 45 7.212 15.082 1.912 353 HG22 VAL 45 HG22 VAL 45 8.605 16.031 2.490 354 HG23 VAL 45 HG23 VAL 45 7.292 15.609 3.606 355 H GLU 46 H GLU 46 4.130 18.674 3.778 356 HA GLU 46 HA GLU 46 4.183 17.005 6.161 357 HB2 GLU 46 HB2 GLU 46 4.505 19.485 6.153 358 HB3 GLU 46 HB3 GLU 46 2.832 19.677 5.622 359 HG2 GLU 46 HG2 GLU 46 3.075 20.026 8.047 360 HG3 GLU 46 HG3 GLU 46 2.024 18.654 7.711 361 H ASP 47 H ASP 47 2.107 17.339 3.441 362 HA ASP 47 HA ASP 47 -0.248 16.319 4.925 363 HB2 ASP 47 HB2 ASP 47 -0.492 18.308 3.457 364 HB3 ASP 47 HB3 ASP 47 0.029 17.332 2.069 365 H GLY 48 H GLY 48 2.404 15.220 3.056 366 HA2 GLY 48 HA2 GLY 48 2.955 13.097 2.334 367 HA3 GLY 48 HA3 GLY 48 1.459 12.499 3.065 368 H GLY 49 H GLY 49 1.410 11.103 1.116 369 HA2 GLY 49 HA2 GLY 49 0.198 10.575 -0.768 370 HA3 GLY 49 HA3 GLY 49 -0.330 12.264 -0.915 371 H ILE 50 H ILE 50 3.099 11.550 -0.624 372 HA ILE 50 HA ILE 50 3.523 11.759 -3.552 373 HB ILE 50 HB ILE 50 4.822 13.556 -1.467 374 HG12 ILE 50 HG12 ILE 50 2.803 14.117 -3.676 375 HG13 ILE 50 HG13 ILE 50 2.532 14.250 -1.928 376 HG21 ILE 50 HG21 ILE 50 5.183 13.441 -4.498 377 HG22 ILE 50 HG22 ILE 50 5.952 14.606 -3.392 378 HG23 ILE 50 HG23 ILE 50 6.374 12.905 -3.286 379 HD11 ILE 50 HD11 ILE 50 4.232 16.059 -1.815 380 HD12 ILE 50 HD12 ILE 50 4.378 15.989 -3.593 381 HD13 ILE 50 HD13 ILE 50 2.836 16.449 -2.843 382 H ASP 51 H ASP 51 5.449 10.729 -4.252 383 HA ASP 51 HA ASP 51 6.774 9.104 -2.126 384 HB2 ASP 51 HB2 ASP 51 6.360 8.542 -5.083 385 HB3 ASP 51 HB3 ASP 51 7.239 7.503 -3.956 386 H ALA 52 H ALA 52 7.335 11.397 -4.761 387 HA ALA 52 HA ALA 52 10.036 11.840 -3.768 388 HB1 ALA 52 HB1 ALA 52 9.641 10.735 -6.579 389 HB2 ALA 52 HB2 ALA 52 11.166 11.342 -5.894 390 HB3 ALA 52 HB3 ALA 52 10.411 9.881 -5.223 391 H ALA 53 H ALA 53 11.154 13.513 -5.391 392 HA ALA 53 HA ALA 53 9.153 15.231 -6.717 393 HB1 ALA 53 HB1 ALA 53 10.886 16.193 -4.414 394 HB2 ALA 53 HB2 ALA 53 9.820 17.208 -5.409 395 HB3 ALA 53 HB3 ALA 53 9.120 15.960 -4.359 396 H ILE 54 H ILE 54 10.159 17.095 -7.811 397 HA ILE 54 HA ILE 54 13.011 16.663 -8.571 398 HB ILE 54 HB ILE 54 10.661 17.495 -10.323 399 HG12 ILE 54 HG12 ILE 54 12.480 15.045 -10.419 400 HG13 ILE 54 HG13 ILE 54 10.815 15.063 -9.816 401 HG21 ILE 54 HG21 ILE 54 12.322 17.607 -12.149 402 HG22 ILE 54 HG22 ILE 54 12.728 18.758 -10.876 403 HG23 ILE 54 HG23 ILE 54 13.625 17.227 -10.999 404 HD11 ILE 54 HD11 ILE 54 11.697 15.664 -12.665 405 HD12 ILE 54 HD12 ILE 54 10.828 14.227 -12.095 406 HD13 ILE 54 HD13 ILE 54 10.026 15.810 -12.056 407 H LEU 55 H LEU 55 14.275 18.546 -8.651 408 HA LEU 55 HA LEU 55 12.886 20.985 -7.642 409 HB2 LEU 55 HB2 LEU 55 14.337 19.431 -6.056 410 HB3 LEU 55 HB3 LEU 55 15.692 20.229 -6.843 411 HG LEU 55 HG LEU 55 15.224 21.382 -4.802 412 HD11 LEU 55 HD11 LEU 55 13.899 23.077 -6.953 413 HD12 LEU 55 HD12 LEU 55 14.740 23.639 -5.500 414 HD13 LEU 55 HD13 LEU 55 15.663 22.846 -6.794 415 HD21 LEU 55 HD21 LEU 55 12.939 20.558 -4.443 416 HD22 LEU 55 HD22 LEU 55 13.013 22.328 -4.262 417 HD23 LEU 55 HD23 LEU 55 12.337 21.618 -5.740 418 H ASP 56 H ASP 56 13.062 22.628 -9.046 419 HA ASP 56 HA ASP 56 15.158 22.683 -11.075 420 HB2 ASP 56 HB2 ASP 56 12.895 23.422 -11.612 421 HB3 ASP 56 HB3 ASP 56 12.944 24.617 -10.308 422 H VAL 57 H VAL 57 17.068 23.691 -10.958 423 HA VAL 57 HA VAL 57 17.696 25.170 -8.478 424 HB VAL 57 HB VAL 57 19.532 24.005 -10.602 425 HG11 VAL 57 HG11 VAL 57 20.656 25.762 -9.328 426 HG12 VAL 57 HG12 VAL 57 20.065 25.058 -7.798 427 HG13 VAL 57 HG13 VAL 57 21.248 24.181 -8.789 428 HG21 VAL 57 HG21 VAL 57 18.696 22.942 -7.865 429 HG22 VAL 57 HG22 VAL 57 18.240 22.238 -9.437 430 HG23 VAL 57 HG23 VAL 57 19.939 22.224 -8.919 431 H ASN 58 H ASN 58 16.849 25.781 -11.720 432 HA ASN 58 HA ASN 58 18.536 28.068 -12.188 433 HB2 ASN 58 HB2 ASN 58 15.915 27.220 -13.466 434 HB3 ASN 58 HB3 ASN 58 16.979 28.488 -14.078 435 HD21 ASN 58 HD21 ASN 58 17.914 24.532 -14.686 436 HD22 ASN 58 HD22 ASN 58 16.605 25.005 -13.622 437 H LEU 59 H LEU 59 16.466 27.765 -9.740 438 HA LEU 59 HA LEU 59 14.797 30.064 -9.876 439 HB2 LEU 59 HB2 LEU 59 14.545 28.165 -8.298 440 HB3 LEU 59 HB3 LEU 59 16.053 28.629 -7.496 441 HG LEU 59 HG LEU 59 15.022 30.778 -6.802 442 HD11 LEU 59 HD11 LEU 59 12.494 29.618 -8.058 443 HD12 LEU 59 HD12 LEU 59 12.578 31.085 -7.063 444 HD13 LEU 59 HD13 LEU 59 13.382 31.047 -8.645 445 HD21 LEU 59 HD21 LEU 59 14.895 28.776 -5.352 446 HD22 LEU 59 HD22 LEU 59 13.472 29.820 -5.159 447 HD23 LEU 59 HD23 LEU 59 13.351 28.328 -6.117 448 H ARG 60 H ARG 60 15.076 32.085 -8.630 449 HA ARG 60 HA ARG 60 17.494 33.404 -9.312 450 HB2 ARG 60 HB2 ARG 60 15.264 34.468 -9.087 451 HB3 ARG 60 HB3 ARG 60 15.332 34.228 -7.332 452 HG2 ARG 60 HG2 ARG 60 17.330 35.674 -7.196 453 HG3 ARG 60 HG3 ARG 60 17.321 35.865 -8.965 454 HD2 ARG 60 HD2 ARG 60 15.076 36.894 -8.836 455 HD3 ARG 60 HD3 ARG 60 15.089 36.694 -7.072 456 HE ARG 60 HE ARG 60 17.417 38.134 -7.837 457 HH11 ARG 60 HH11 ARG 60 13.916 38.542 -7.652 458 HH12 ARG 60 HH12 ARG 60 14.002 40.275 -7.436 459 HH21 ARG 60 HH21 ARG 60 17.509 40.401 -7.564 460 HH22 ARG 60 HH22 ARG 60 16.038 41.325 -7.389 461 H GLY 61 H GLY 61 19.188 34.194 -8.097 462 HA2 GLY 61 HA2 GLY 61 20.653 34.395 -6.318 463 HA3 GLY 61 HA3 GLY 61 19.520 33.532 -5.272 464 H GLY 62 H GLY 62 22.491 33.249 -5.729 465 HA2 GLY 62 HA2 GLY 62 22.694 30.514 -6.845 466 HA3 GLY 62 HA3 GLY 62 24.028 31.610 -6.422 467 H GLU 63 H GLU 63 22.164 32.011 -3.814 468 HA GLU 63 HA GLU 63 23.160 29.578 -2.406 469 HB2 GLU 63 HB2 GLU 63 24.634 31.526 -2.005 470 HB3 GLU 63 HB3 GLU 63 23.240 32.448 -1.414 471 HG2 GLU 63 HG2 GLU 63 24.557 31.554 0.446 472 HG3 GLU 63 HG3 GLU 63 22.947 30.837 0.432 473 H LYS 64 H LYS 64 21.918 28.863 -0.653 474 HA LYS 64 HA LYS 64 19.959 28.226 0.258 475 HB2 LYS 64 HB2 LYS 64 20.623 30.385 1.437 476 HB3 LYS 64 HB3 LYS 64 19.326 31.176 0.527 477 HG2 LYS 64 HG2 LYS 64 17.683 29.577 1.512 478 HG3 LYS 64 HG3 LYS 64 19.009 28.754 2.363 479 HD2 LYS 64 HD2 LYS 64 19.524 30.850 3.579 480 HD3 LYS 64 HD3 LYS 64 18.207 31.675 2.716 481 HE2 LYS 64 HE2 LYS 64 16.578 30.063 3.674 482 HE3 LYS 64 HE3 LYS 64 17.894 29.237 4.523 483 HZ1 LYS 64 HZ1 LYS 64 16.751 30.774 5.949 484 HZ2 LYS 64 HZ2 LYS 64 18.304 31.279 5.734 485 HZ3 LYS 64 HZ3 LYS 64 17.078 32.034 4.946 486 H SER 65 H SER 65 19.939 28.472 -2.651 487 HA SER 65 HA SER 65 17.118 29.212 -3.196 488 HB2 SER 65 HB2 SER 65 17.828 29.179 -5.564 489 HB3 SER 65 HB3 SER 65 18.807 30.291 -4.584 490 HG SER 65 HG SER 65 20.084 28.979 -5.935 491 H THR 66 H THR 66 18.866 26.478 -2.339 492 HA THR 66 HA THR 66 16.798 24.761 -3.580 493 HB THR 66 HB THR 66 19.693 23.886 -3.491 494 HG1 THR 66 HG1 THR 66 19.527 25.753 -4.779 495 HG21 THR 66 HG21 THR 66 18.922 22.395 -5.331 496 HG22 THR 66 HG22 THR 66 17.980 22.107 -3.856 497 HG23 THR 66 HG23 THR 66 17.285 23.061 -5.188 498 HA PRO 67 HA PRO 67 18.141 23.650 0.867 499 HB2 PRO 67 HB2 PRO 67 16.514 25.040 2.531 500 HB3 PRO 67 HB3 PRO 67 17.982 25.794 1.828 501 HG2 PRO 67 HG2 PRO 67 15.134 25.979 0.776 502 HG3 PRO 67 HG3 PRO 67 16.262 27.331 1.145 503 HD2 PRO 67 HD2 PRO 67 16.015 26.337 -1.371 504 HD3 PRO 67 HD3 PRO 67 17.610 26.829 -0.711 505 H VAL 68 H VAL 68 15.204 23.869 -0.949 506 HA VAL 68 HA VAL 68 13.460 22.423 0.830 507 HB VAL 68 HB VAL 68 13.410 22.890 -2.175 508 HG11 VAL 68 HG11 VAL 68 10.986 22.366 -2.007 509 HG12 VAL 68 HG12 VAL 68 11.979 20.955 -1.601 510 HG13 VAL 68 HG13 VAL 68 11.209 21.905 -0.306 511 HG21 VAL 68 HG21 VAL 68 13.296 24.955 -0.836 512 HG22 VAL 68 HG22 VAL 68 11.722 24.607 -1.585 513 HG23 VAL 68 HG23 VAL 68 11.979 24.262 0.140 514 H ALA 69 H ALA 69 15.909 21.465 -1.565 515 HA ALA 69 HA ALA 69 14.949 18.788 -1.923 516 HB1 ALA 69 HB1 ALA 69 16.501 19.889 -3.485 517 HB2 ALA 69 HB2 ALA 69 17.736 19.994 -2.207 518 HB3 ALA 69 HB3 ALA 69 17.233 18.405 -2.824 519 H GLU 70 H GLU 70 17.113 20.343 0.446 520 HA GLU 70 HA GLU 70 17.882 17.771 1.605 521 HB2 GLU 70 HB2 GLU 70 18.460 20.653 2.355 522 HB3 GLU 70 HB3 GLU 70 19.089 19.253 3.245 523 HG2 GLU 70 HG2 GLU 70 20.170 18.392 1.221 524 HG3 GLU 70 HG3 GLU 70 19.503 19.703 0.257 525 H ALA 71 H ALA 71 15.276 20.059 2.029 526 HA ALA 71 HA ALA 71 14.577 19.153 4.695 527 HB1 ALA 71 HB1 ALA 71 12.893 20.454 2.515 528 HB2 ALA 71 HB2 ALA 71 12.446 20.292 4.230 529 HB3 ALA 71 HB3 ALA 71 13.821 21.318 3.759 530 H LEU 72 H LEU 72 13.905 18.114 1.347 531 HA LEU 72 HA LEU 72 11.988 16.081 2.125 532 HB2 LEU 72 HB2 LEU 72 13.703 16.451 -0.367 533 HB3 LEU 72 HB3 LEU 72 12.458 15.212 -0.189 534 HG LEU 72 HG LEU 72 11.973 18.218 -0.039 535 HD11 LEU 72 HD11 LEU 72 11.330 16.158 -2.191 536 HD12 LEU 72 HD12 LEU 72 10.862 17.877 -2.221 537 HD13 LEU 72 HD13 LEU 72 12.578 17.418 -2.306 538 HD21 LEU 72 HD21 LEU 72 10.053 15.851 -0.044 539 HD22 LEU 72 HD22 LEU 72 10.334 16.983 1.306 540 HD23 LEU 72 HD23 LEU 72 9.575 17.559 -0.185 541 H ALA 73 H ALA 73 15.526 16.310 1.966 542 HA ALA 73 HA ALA 73 15.983 13.469 2.173 543 HB1 ALA 73 HB1 ALA 73 18.272 14.138 2.750 544 HB2 ALA 73 HB2 ALA 73 17.687 15.083 1.366 545 HB3 ALA 73 HB3 ALA 73 17.750 15.819 2.985 546 H ALA 74 H ALA 74 15.152 16.024 4.465 547 HA ALA 74 HA ALA 74 15.799 14.407 6.803 548 HB1 ALA 74 HB1 ALA 74 14.145 16.948 6.504 549 HB2 ALA 74 HB2 ALA 74 14.723 16.250 8.029 550 HB3 ALA 74 HB3 ALA 74 15.889 16.875 6.838 551 H ARG 75 H ARG 75 13.181 14.657 4.544 552 HA ARG 75 HA ARG 75 11.366 13.139 6.337 553 HB2 ARG 75 HB2 ARG 75 10.889 14.418 3.618 554 HB3 ARG 75 HB3 ARG 75 9.669 13.568 4.579 555 HG2 ARG 75 HG2 ARG 75 11.150 16.090 5.439 556 HG3 ARG 75 HG3 ARG 75 9.489 16.022 4.831 557 HD2 ARG 75 HD2 ARG 75 8.872 14.547 6.745 558 HD3 ARG 75 HD3 ARG 75 10.523 14.683 7.363 559 HE ARG 75 HE ARG 75 10.173 16.992 7.851 560 HH11 ARG 75 HH11 ARG 75 7.222 15.378 6.713 561 HH12 ARG 75 HH12 ARG 75 6.185 16.625 7.390 562 HH21 ARG 75 HH21 ARG 75 8.751 18.575 8.677 563 HH22 ARG 75 HH22 ARG 75 7.024 18.375 8.458 564 H ASP 76 H ASP 76 13.912 12.312 4.606 565 HA ASP 76 HA ASP 76 14.633 10.512 3.500 566 HB2 ASP 76 HB2 ASP 76 13.785 9.485 5.592 567 HB3 ASP 76 HB3 ASP 76 12.275 9.091 4.762 568 H ILE 77 H ILE 77 13.007 12.263 1.958 569 HA ILE 77 HA ILE 77 11.795 10.368 0.005 570 HB ILE 77 HB ILE 77 11.343 13.326 0.498 571 HG12 ILE 77 HG12 ILE 77 9.518 10.890 0.716 572 HG13 ILE 77 HG13 ILE 77 10.244 11.766 2.076 573 HG21 ILE 77 HG21 ILE 77 9.721 13.252 -1.335 574 HG22 ILE 77 HG22 ILE 77 11.315 12.799 -1.943 575 HG23 ILE 77 HG23 ILE 77 10.098 11.538 -1.621 576 HD11 ILE 77 HD11 ILE 77 8.217 12.864 0.090 577 HD12 ILE 77 HD12 ILE 77 7.951 12.495 1.802 578 HD13 ILE 77 HD13 ILE 77 9.039 13.829 1.347 579 HA PRO 78 HA PRO 78 15.424 11.334 -2.388 580 HB2 PRO 78 HB2 PRO 78 14.870 9.957 -4.656 581 HB3 PRO 78 HB3 PRO 78 15.171 9.113 -3.097 582 HG2 PRO 78 HG2 PRO 78 12.494 9.855 -4.314 583 HG3 PRO 78 HG3 PRO 78 13.019 8.249 -3.695 584 HD2 PRO 78 HD2 PRO 78 11.574 9.983 -2.165 585 HD3 PRO 78 HD3 PRO 78 12.862 8.971 -1.451 586 H PHE 79 H PHE 79 16.074 12.534 -4.269 587 HA PHE 79 HA PHE 79 14.024 13.915 -5.847 588 HB2 PHE 79 HB2 PHE 79 14.727 16.145 -5.170 589 HB3 PHE 79 HB3 PHE 79 14.145 15.248 -3.768 590 HD1 PHE 79 HD1 PHE 79 17.235 16.386 -5.540 591 HD2 PHE 79 HD2 PHE 79 15.548 14.899 -1.872 592 HE1 PHE 79 HE1 PHE 79 19.372 16.842 -4.366 593 HE2 PHE 79 HE2 PHE 79 17.678 15.414 -0.699 594 HZ PHE 79 HZ PHE 79 19.583 16.375 -1.943 595 H VAL 80 H VAL 80 15.047 15.409 -7.454 596 HA VAL 80 HA VAL 80 17.913 14.911 -8.000 597 HB VAL 80 HB VAL 80 17.471 14.567 -10.372 598 HG11 VAL 80 HG11 VAL 80 15.868 12.614 -8.674 599 HG12 VAL 80 HG12 VAL 80 16.587 12.289 -10.264 600 HG13 VAL 80 HG13 VAL 80 17.637 12.599 -8.862 601 HG21 VAL 80 HG21 VAL 80 15.204 14.139 -11.213 602 HG22 VAL 80 HG22 VAL 80 14.524 14.490 -9.608 603 HG23 VAL 80 HG23 VAL 80 15.318 15.780 -10.543 604 H PHE 81 H PHE 81 18.727 16.494 -9.688 605 HA PHE 81 HA PHE 81 17.436 19.124 -9.170 606 HB2 PHE 81 HB2 PHE 81 20.285 18.407 -9.905 607 HB3 PHE 81 HB3 PHE 81 19.677 20.042 -9.663 608 HD1 PHE 81 HD1 PHE 81 21.665 17.724 -8.203 609 HD2 PHE 81 HD2 PHE 81 18.208 20.087 -7.233 610 HE1 PHE 81 HE1 PHE 81 22.294 17.653 -5.810 611 HE2 PHE 81 HE2 PHE 81 18.817 19.992 -4.831 612 HZ PHE 81 HZ PHE 81 20.871 18.797 -4.115 613 H ALA 82 H ALA 82 17.546 20.748 -10.834 614 HA ALA 82 HA ALA 82 18.169 19.809 -13.572 615 HB1 ALA 82 HB1 ALA 82 15.703 21.402 -12.764 616 HB2 ALA 82 HB2 ALA 82 16.211 21.042 -14.431 617 HB3 ALA 82 HB3 ALA 82 15.721 19.718 -13.350 618 H THR 83 H THR 83 19.696 21.132 -14.405 619 HA THR 83 HA THR 83 19.878 23.946 -13.500 620 HB THR 83 HB THR 83 22.226 22.042 -13.237 621 HG1 THR 83 HG1 THR 83 21.797 22.064 -11.026 622 HG21 THR 83 HG21 THR 83 21.655 24.841 -12.164 623 HG22 THR 83 HG22 THR 83 23.090 23.858 -11.765 624 HG23 THR 83 HG23 THR 83 22.833 24.404 -13.428 625 H GLY 84 H GLY 84 21.100 25.257 -14.907 626 HA2 GLY 84 HA2 GLY 84 22.143 23.939 -17.385 627 HA3 GLY 84 HA3 GLY 84 21.512 25.595 -17.306 628 H GLY 85 H GLY 85 24.305 24.058 -17.734 629 HA2 GLY 85 HA2 GLY 85 26.120 26.009 -17.459 630 HA3 GLY 85 HA3 GLY 85 25.974 25.498 -15.771 631 H SER 86 H SER 86 28.375 25.096 -16.329 632 HA SER 86 HA SER 86 28.907 22.610 -17.779 633 HB2 SER 86 HB2 SER 86 30.714 24.407 -16.124 634 HB3 SER 86 HB3 SER 86 31.246 23.054 -17.141 635 HG SER 86 HG SER 86 31.378 25.070 -18.222 636 H ASP 87 H ASP 87 30.139 20.833 -16.746 637 HA ASP 87 HA ASP 87 28.706 19.933 -14.401 638 HB2 ASP 87 HB2 ASP 87 30.987 18.692 -15.974 639 HB3 ASP 87 HB3 ASP 87 30.013 17.865 -14.748 640 H ASP 88 H ASP 88 31.194 22.074 -14.562 641 HA ASP 88 HA ASP 88 32.353 21.099 -12.002 642 HB2 ASP 88 HB2 ASP 88 33.903 20.914 -13.944 643 HB3 ASP 88 HB3 ASP 88 33.795 22.669 -14.156 644 H SER 89 H SER 89 30.127 23.111 -12.968 645 HA SER 89 HA SER 89 31.106 25.466 -11.430 646 HB2 SER 89 HB2 SER 89 28.885 25.290 -13.496 647 HB3 SER 89 HB3 SER 89 29.433 26.764 -12.667 648 HG SER 89 HG SER 89 31.473 26.457 -13.628 649 H VAL 90 H VAL 90 29.634 22.781 -10.632 650 HA VAL 90 HA VAL 90 27.644 24.118 -8.870 651 HB VAL 90 HB VAL 90 27.128 21.461 -10.254 652 HG11 VAL 90 HG11 VAL 90 25.342 23.438 -8.764 653 HG12 VAL 90 HG12 VAL 90 24.805 21.928 -9.535 654 HG13 VAL 90 HG13 VAL 90 25.901 21.863 -8.144 655 HG21 VAL 90 HG21 VAL 90 26.119 24.234 -11.016 656 HG22 VAL 90 HG22 VAL 90 27.186 23.195 -11.996 657 HG23 VAL 90 HG23 VAL 90 25.519 22.696 -11.678 658 H ASP 91 H ASP 91 27.232 22.943 -6.876 659 HA ASP 91 HA ASP 91 29.590 21.956 -5.664 660 HB2 ASP 91 HB2 ASP 91 27.837 23.067 -4.422 661 HB3 ASP 91 HB3 ASP 91 26.674 21.809 -4.849 662 H SER 92 H SER 92 30.028 19.883 -4.706 663 HA SER 92 HA SER 92 30.008 17.874 -6.691 664 HB2 SER 92 HB2 SER 92 30.644 17.682 -3.726 665 HB3 SER 92 HB3 SER 92 31.114 16.508 -4.973 666 HG SER 92 HG SER 92 32.770 18.042 -4.523 667 H ARG 93 H ARG 93 27.604 18.544 -4.222 668 HA ARG 93 HA ARG 93 26.622 15.801 -4.129 669 HB2 ARG 93 HB2 ARG 93 25.337 18.417 -3.264 670 HB3 ARG 93 HB3 ARG 93 24.743 16.789 -2.876 671 HG2 ARG 93 HG2 ARG 93 26.917 16.272 -1.749 672 HG3 ARG 93 HG3 ARG 93 27.446 17.939 -2.047 673 HD2 ARG 93 HD2 ARG 93 25.029 17.089 -0.413 674 HD3 ARG 93 HD3 ARG 93 26.565 17.701 0.230 675 HE ARG 93 HE ARG 93 25.785 19.712 -1.452 676 HH11 ARG 93 HH11 ARG 93 24.221 17.998 1.216 677 HH12 ARG 93 HH12 ARG 93 23.180 19.344 1.626 678 HH21 ARG 93 HH21 ARG 93 24.386 21.450 -0.900 679 HH22 ARG 93 HH22 ARG 93 23.234 21.259 0.402 680 H PHE 94 H PHE 94 26.243 18.518 -6.265 681 HA PHE 94 HA PHE 94 23.811 17.438 -7.527 682 HB2 PHE 94 HB2 PHE 94 25.698 19.669 -8.353 683 HB3 PHE 94 HB3 PHE 94 24.151 19.294 -9.112 684 HD1 PHE 94 HD1 PHE 94 25.572 20.154 -5.742 685 HD2 PHE 94 HD2 PHE 94 22.286 20.542 -8.488 686 HE1 PHE 94 HE1 PHE 94 24.414 21.672 -4.149 687 HE2 PHE 94 HE2 PHE 94 21.144 22.074 -6.905 688 HZ PHE 94 HZ PHE 94 22.205 22.641 -4.739 689 H ARG 95 H ARG 95 27.275 17.147 -7.711 690 HA ARG 95 HA ARG 95 27.266 16.013 -10.410 691 HB2 ARG 95 HB2 ARG 95 29.452 15.902 -8.305 692 HB3 ARG 95 HB3 ARG 95 29.632 15.679 -10.054 693 HG2 ARG 95 HG2 ARG 95 28.920 18.057 -10.395 694 HG3 ARG 95 HG3 ARG 95 28.821 18.252 -8.629 695 HD2 ARG 95 HD2 ARG 95 31.247 17.469 -8.524 696 HD3 ARG 95 HD3 ARG 95 31.281 17.605 -10.292 697 HE ARG 95 HE ARG 95 30.364 19.995 -8.836 698 HH11 ARG 95 HH11 ARG 95 33.124 18.338 -10.316 699 HH12 ARG 95 HH12 ARG 95 34.047 19.822 -10.470 700 HH21 ARG 95 HH21 ARG 95 31.620 21.859 -9.001 701 HH22 ARG 95 HH22 ARG 95 33.215 21.792 -9.724 702 H ASP 96 H ASP 96 26.701 14.904 -7.173 703 HA ASP 96 HA ASP 96 27.254 12.086 -7.877 704 HB2 ASP 96 HB2 ASP 96 28.065 13.021 -5.735 705 HB3 ASP 96 HB3 ASP 96 26.396 13.378 -5.262 706 H ARG 97 H ARG 97 24.581 14.328 -7.591 707 HA ARG 97 HA ARG 97 22.637 12.081 -7.698 708 HB2 ARG 97 HB2 ARG 97 22.312 15.055 -7.159 709 HB3 ARG 97 HB3 ARG 97 20.960 13.928 -7.333 710 HG2 ARG 97 HG2 ARG 97 21.800 12.570 -5.458 711 HG3 ARG 97 HG3 ARG 97 23.169 13.683 -5.248 712 HD2 ARG 97 HD2 ARG 97 21.643 15.537 -4.791 713 HD3 ARG 97 HD3 ARG 97 20.241 14.500 -5.074 714 HE ARG 97 HE ARG 97 22.054 14.470 -2.732 715 HH11 ARG 97 HH11 ARG 97 19.295 13.012 -4.408 716 HH12 ARG 97 HH12 ARG 97 18.756 12.133 -2.996 717 HH21 ARG 97 HH21 ARG 97 21.305 13.335 -0.906 718 HH22 ARG 97 HH22 ARG 97 19.882 12.324 -1.020 719 HA PRO 98 HA PRO 98 21.798 12.602 -11.979 720 HB2 PRO 98 HB2 PRO 98 18.884 12.740 -11.259 721 HB3 PRO 98 HB3 PRO 98 19.700 11.670 -12.445 722 HG2 PRO 98 HG2 PRO 98 18.925 10.687 -10.039 723 HG3 PRO 98 HG3 PRO 98 20.543 10.265 -10.702 724 HD2 PRO 98 HD2 PRO 98 19.855 12.396 -8.658 725 HD3 PRO 98 HD3 PRO 98 21.146 11.154 -8.603 726 H VAL 99 H VAL 99 21.261 14.193 -13.543 727 HA VAL 99 HA VAL 99 20.028 16.703 -12.576 728 HB VAL 99 HB VAL 99 21.805 18.018 -13.698 729 HG11 VAL 99 HG11 VAL 99 21.867 17.652 -11.258 730 HG12 VAL 99 HG12 VAL 99 22.861 16.197 -11.507 731 HG13 VAL 99 HG13 VAL 99 23.497 17.794 -11.952 732 HG21 VAL 99 HG21 VAL 99 22.671 16.280 -15.235 733 HG22 VAL 99 HG22 VAL 99 23.963 16.960 -14.228 734 HG23 VAL 99 HG23 VAL 99 23.298 15.363 -13.839 735 H LEU 100 H LEU 100 19.178 18.018 -14.208 736 HA LEU 100 HA LEU 100 19.121 16.960 -16.983 737 HB2 LEU 100 HB2 LEU 100 16.712 17.722 -15.282 738 HB3 LEU 100 HB3 LEU 100 16.659 17.473 -17.031 739 HG LEU 100 HG LEU 100 17.485 15.334 -15.022 740 HD11 LEU 100 HD11 LEU 100 15.288 14.356 -15.503 741 HD12 LEU 100 HD12 LEU 100 15.111 15.980 -14.808 742 HD13 LEU 100 HD13 LEU 100 14.887 15.729 -16.557 743 HD21 LEU 100 HD21 LEU 100 17.175 13.816 -16.971 744 HD22 LEU 100 HD22 LEU 100 16.839 15.220 -18.005 745 HD23 LEU 100 HD23 LEU 100 18.453 15.004 -17.291 746 H GLN 101 H GLN 101 18.525 18.606 -18.556 747 HA GLN 101 HA GLN 101 19.255 21.326 -17.636 748 HB2 GLN 101 HB2 GLN 101 19.010 20.134 -20.422 749 HB3 GLN 101 HB3 GLN 101 19.533 21.789 -20.040 750 HG2 GLN 101 HG2 GLN 101 21.426 20.879 -18.721 751 HG3 GLN 101 HG3 GLN 101 20.930 19.233 -19.157 752 HE21 GLN 101 HE21 GLN 101 23.600 19.990 -21.544 753 HE22 GLN 101 HE22 GLN 101 23.404 19.596 -19.850 754 H LYS 102 H LYS 102 17.988 23.162 -18.784 755 HA LYS 102 HA LYS 102 15.260 22.957 -18.019 756 HB2 LYS 102 HB2 LYS 102 16.755 24.967 -19.728 757 HB3 LYS 102 HB3 LYS 102 15.031 25.117 -19.317 758 HG2 LYS 102 HG2 LYS 102 15.597 24.950 -16.906 759 HG3 LYS 102 HG3 LYS 102 17.322 24.935 -17.313 760 HD2 LYS 102 HD2 LYS 102 15.361 27.152 -18.049 761 HD3 LYS 102 HD3 LYS 102 16.435 27.201 -16.644 762 HE2 LYS 102 HE2 LYS 102 17.351 26.989 -19.541 763 HE3 LYS 102 HE3 LYS 102 17.314 28.478 -18.586 764 HZ1 LYS 102 HZ1 LYS 102 18.840 27.441 -17.034 765 HZ2 LYS 102 HZ2 LYS 102 18.928 26.094 -17.967 766 HZ3 LYS 102 HZ3 LYS 102 19.488 27.526 -18.543 767 HA PRO 103 HA PRO 103 14.076 22.181 -22.564 768 HB2 PRO 103 HB2 PRO 103 15.923 21.328 -24.368 769 HB3 PRO 103 HB3 PRO 103 15.621 23.073 -24.061 770 HG2 PRO 103 HG2 PRO 103 17.797 21.324 -22.864 771 HG3 PRO 103 HG3 PRO 103 17.980 22.931 -23.639 772 HD2 PRO 103 HD2 PRO 103 17.807 22.656 -20.953 773 HD3 PRO 103 HD3 PRO 103 17.018 24.033 -21.780 774 H PHE 104 H PHE 104 13.153 20.205 -22.896 775 HA PHE 104 HA PHE 104 14.488 17.830 -21.666 776 HB2 PHE 104 HB2 PHE 104 11.707 18.914 -21.600 777 HB3 PHE 104 HB3 PHE 104 11.883 17.171 -21.716 778 HD1 PHE 104 HD1 PHE 104 10.897 16.677 -19.585 779 HD2 PHE 104 HD2 PHE 104 14.308 19.300 -19.831 780 HE1 PHE 104 HE1 PHE 104 11.292 16.398 -17.173 781 HE2 PHE 104 HE2 PHE 104 14.664 19.043 -17.399 782 HZ PHE 104 HZ PHE 104 13.172 17.578 -16.067 783 H THR 105 H THR 105 14.136 15.772 -22.652 784 HA THR 105 HA THR 105 13.315 15.828 -25.508 785 HB THR 105 HB THR 105 15.308 14.555 -26.139 786 HG1 THR 105 HG1 THR 105 17.003 14.406 -24.613 787 HG21 THR 105 HG21 THR 105 16.100 17.104 -24.666 788 HG22 THR 105 HG22 THR 105 16.962 16.339 -26.023 789 HG23 THR 105 HG23 THR 105 15.355 17.048 -26.282 790 H MET 106 H MET 106 13.015 13.608 -26.396 791 HA MET 106 HA MET 106 11.404 12.111 -24.535 792 HB2 MET 106 HB2 MET 106 10.883 12.400 -26.940 793 HB3 MET 106 HB3 MET 106 12.331 11.474 -27.361 794 HG2 MET 106 HG2 MET 106 10.368 10.038 -27.495 795 HG3 MET 106 HG3 MET 106 11.447 9.494 -26.217 796 HE1 MET 106 HE1 MET 106 8.764 12.437 -26.311 797 HE2 MET 106 HE2 MET 106 8.025 11.076 -27.188 798 HE3 MET 106 HE3 MET 106 7.356 11.594 -25.627 799 H ASP 107 H ASP 107 14.753 11.781 -25.662 800 HA ASP 107 HA ASP 107 14.881 8.990 -24.775 801 HB2 ASP 107 HB2 ASP 107 16.098 9.760 -26.768 802 HB3 ASP 107 HB3 ASP 107 17.020 10.895 -25.776 803 H GLY 108 H GLY 108 16.092 12.174 -23.628 804 HA2 GLY 108 HA2 GLY 108 17.664 10.952 -21.508 805 HA3 GLY 108 HA3 GLY 108 17.380 12.680 -21.783 806 H VAL 109 H VAL 109 14.386 12.339 -21.773 807 HA VAL 109 HA VAL 109 14.157 12.537 -18.850 808 HB VAL 109 HB VAL 109 12.128 13.065 -21.053 809 HG11 VAL 109 HG11 VAL 109 11.054 12.638 -18.874 810 HG12 VAL 109 HG12 VAL 109 12.161 13.789 -18.089 811 HG13 VAL 109 HG13 VAL 109 10.965 14.362 -19.276 812 HG21 VAL 109 HG21 VAL 109 14.158 14.541 -21.127 813 HG22 VAL 109 HG22 VAL 109 12.679 15.411 -20.690 814 HG23 VAL 109 HG23 VAL 109 13.863 14.977 -19.427 815 H ALA 110 H ALA 110 13.158 10.311 -21.463 816 HA ALA 110 HA ALA 110 11.237 8.908 -19.847 817 HB1 ALA 110 HB1 ALA 110 12.872 7.999 -22.248 818 HB2 ALA 110 HB2 ALA 110 11.457 7.156 -21.580 819 HB3 ALA 110 HB3 ALA 110 11.268 8.774 -22.302 820 H LYS 111 H LYS 111 14.764 8.762 -20.211 821 HA LYS 111 HA LYS 111 15.005 6.292 -18.679 822 HB2 LYS 111 HB2 LYS 111 16.604 6.956 -20.447 823 HB3 LYS 111 HB3 LYS 111 17.053 8.389 -19.503 824 HG2 LYS 111 HG2 LYS 111 17.914 6.946 -17.694 825 HG3 LYS 111 HG3 LYS 111 17.347 5.503 -18.565 826 HD2 LYS 111 HD2 LYS 111 19.764 5.829 -18.887 827 HD3 LYS 111 HD3 LYS 111 18.899 6.013 -20.422 828 HE2 LYS 111 HE2 LYS 111 18.979 8.470 -20.188 829 HE3 LYS 111 HE3 LYS 111 19.802 8.307 -18.628 830 HZ1 LYS 111 HZ1 LYS 111 20.857 7.376 -21.216 831 HZ2 LYS 111 HZ2 LYS 111 21.344 8.722 -20.412 832 HZ3 LYS 111 HZ3 LYS 111 21.619 7.235 -19.767 833 H ALA 112 H ALA 112 14.962 9.783 -18.001 834 HA ALA 112 HA ALA 112 16.103 9.453 -15.341 835 HB1 ALA 112 HB1 ALA 112 14.692 11.804 -16.669 836 HB2 ALA 112 HB2 ALA 112 15.625 11.863 -15.154 837 HB3 ALA 112 HB3 ALA 112 16.442 11.495 -16.685 838 H LEU 113 H LEU 113 12.809 9.707 -16.739 839 HA LEU 113 HA LEU 113 11.622 9.827 -14.055 840 HB2 LEU 113 HB2 LEU 113 10.393 9.578 -16.823 841 HB3 LEU 113 HB3 LEU 113 9.479 9.730 -15.317 842 HG LEU 113 HG LEU 113 11.428 11.793 -16.430 843 HD11 LEU 113 HD11 LEU 113 8.396 11.811 -16.122 844 HD12 LEU 113 HD12 LEU 113 9.398 13.123 -16.790 845 HD13 LEU 113 HD13 LEU 113 9.275 11.566 -17.648 846 HD21 LEU 113 HD21 LEU 113 11.442 11.877 -13.983 847 HD22 LEU 113 HD22 LEU 113 10.526 13.249 -14.627 848 HD23 LEU 113 HD23 LEU 113 9.659 11.852 -13.949 849 H ALA 114 H ALA 114 12.587 7.338 -16.332 850 HA ALA 114 HA ALA 114 10.937 5.290 -15.067 851 HB1 ALA 114 HB1 ALA 114 13.363 5.097 -16.899 852 HB2 ALA 114 HB2 ALA 114 12.299 3.750 -16.427 853 HB3 ALA 114 HB3 ALA 114 11.652 5.083 -17.410 854 H ALA 115 H ALA 115 14.116 6.765 -14.539 855 HA ALA 115 HA ALA 115 14.952 4.726 -12.628 856 HB1 ALA 115 HB1 ALA 115 16.573 6.061 -13.930 857 HB2 ALA 115 HB2 ALA 115 15.964 7.551 -13.166 858 HB3 ALA 115 HB3 ALA 115 16.787 6.318 -12.183 859 H LEU 116 H LEU 116 13.096 7.716 -12.615 860 HA LEU 116 HA LEU 116 12.914 7.720 -9.679 861 HB2 LEU 116 HB2 LEU 116 11.809 9.575 -11.815 862 HB3 LEU 116 HB3 LEU 116 11.511 9.773 -10.084 863 HG LEU 116 HG LEU 116 14.271 9.772 -11.380 864 HD11 LEU 116 HD11 LEU 116 12.573 12.034 -10.249 865 HD12 LEU 116 HD12 LEU 116 14.235 12.178 -10.870 866 HD13 LEU 116 HD13 LEU 116 12.907 11.751 -11.976 867 HD21 LEU 116 HD21 LEU 116 14.347 8.983 -9.048 868 HD22 LEU 116 HD22 LEU 116 14.998 10.627 -9.163 869 HD23 LEU 116 HD23 LEU 116 13.356 10.371 -8.532 870 H LEU 117 H LEU 117 11.876 5.433 -11.242 871 HA LEU 117 HA LEU 117 9.058 5.642 -10.304 872 HB2 LEU 117 HB2 LEU 117 9.276 5.598 -12.775 873 HB3 LEU 117 HB3 LEU 117 10.127 4.048 -12.663 874 HG LEU 117 HG LEU 117 8.133 2.971 -11.747 875 HD11 LEU 117 HD11 LEU 117 6.912 5.764 -11.890 876 HD12 LEU 117 HD12 LEU 117 5.985 4.264 -11.637 877 HD13 LEU 117 HD13 LEU 117 7.159 4.784 -10.421 878 HD21 LEU 117 HD21 LEU 117 6.661 3.209 -13.702 879 HD22 LEU 117 HD22 LEU 117 7.475 4.727 -14.149 880 HD23 LEU 117 HD23 LEU 117 8.365 3.188 -14.203 881 H VAL 118 H VAL 118 12.092 4.043 -10.019 882 HA VAL 118 HA VAL 118 10.871 1.954 -8.304 883 HB VAL 118 HB VAL 118 12.421 0.279 -9.233 884 HG11 VAL 118 HG11 VAL 118 10.629 1.532 -11.357 885 HG12 VAL 118 HG12 VAL 118 11.197 -0.151 -11.304 886 HG13 VAL 118 HG13 VAL 118 10.083 0.451 -10.056 887 HG21 VAL 118 HG21 VAL 118 14.147 1.789 -10.161 888 HG22 VAL 118 HG22 VAL 118 13.528 0.673 -11.397 889 HG23 VAL 118 HG23 VAL 118 12.993 2.365 -11.386
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