NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17727 | 2ctm | 11137 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -32.853 -1.136 -2.253 2 HA2 GLY 1 1HA GLY 1 -33.657 -3.488 -2.810 3 HA3 GLY 1 2HA GLY 1 -34.675 -2.675 -3.991 4 H SER 2 H SER 2 -31.258 -2.932 -3.021 5 HA SER 2 HA SER 2 -30.497 -2.532 -5.827 6 HB2 SER 2 1HB SER 2 -29.401 -1.044 -4.222 7 HB3 SER 2 2HB SER 2 -28.814 -2.435 -3.311 8 HG SER 2 HG SER 2 -27.150 -2.277 -4.584 9 H SER 3 H SER 3 -29.313 -4.025 -6.956 10 HA SER 3 HA SER 3 -29.658 -6.731 -6.364 11 HB2 SER 3 1HB SER 3 -27.670 -5.402 -8.220 12 HB3 SER 3 2HB SER 3 -28.010 -7.132 -8.197 13 HG SER 3 HG SER 3 -30.247 -6.520 -8.614 14 H GLY 4 H GLY 4 -28.834 -7.706 -4.626 15 HA2 GLY 4 1HA GLY 4 -27.247 -8.626 -3.235 16 HA3 GLY 4 2HA GLY 4 -26.021 -8.049 -4.353 17 H SER 5 H SER 5 -24.687 -7.495 -2.573 18 HA SER 5 HA SER 5 -25.171 -6.047 -0.359 19 HB2 SER 5 1HB SER 5 -22.856 -5.803 -2.279 20 HB3 SER 5 2HB SER 5 -22.892 -4.955 -0.733 21 HG SER 5 HG SER 5 -23.321 -7.149 0.162 22 H SER 6 H SER 6 -25.721 -4.019 0.222 23 HA SER 6 HA SER 6 -26.400 -2.161 -1.945 24 HB2 SER 6 1HB SER 6 -27.426 -2.562 0.844 25 HB3 SER 6 2HB SER 6 -27.629 -0.997 0.057 26 HG SER 6 HG SER 6 -29.392 -2.506 -0.258 27 H GLY 7 H GLY 7 -24.885 -2.199 1.277 28 HA2 GLY 7 1HA GLY 7 -23.596 0.368 0.618 29 HA3 GLY 7 2HA GLY 7 -23.841 -0.251 2.244 30 H ARG 8 H ARG 8 -21.412 0.585 1.880 31 HA ARG 8 HA ARG 8 -19.638 -1.324 0.705 32 HB2 ARG 8 1HB ARG 8 -19.357 1.191 2.266 33 HB3 ARG 8 2HB ARG 8 -17.986 0.090 2.257 34 HG2 ARG 8 1HG ARG 8 -19.324 1.136 -0.227 35 HG3 ARG 8 2HG ARG 8 -17.897 1.861 0.517 36 HD2 ARG 8 1HD ARG 8 -16.969 -0.594 0.344 37 HD3 ARG 8 2HD ARG 8 -18.186 -0.731 -0.924 38 HE ARG 8 HE ARG 8 -16.939 0.687 -2.247 39 HH11 ARG 8 1HH1 ARG 8 -15.652 0.631 0.987 40 HH12 ARG 8 2HH1 ARG 8 -14.197 1.472 0.562 41 HH21 ARG 8 1HH2 ARG 8 -15.029 1.795 -2.818 42 HH22 ARG 8 2HH2 ARG 8 -13.845 2.134 -1.602 43 H ILE 9 H ILE 9 -17.875 -2.367 1.985 44 HA ILE 9 HA ILE 9 -18.455 -2.988 4.747 45 HB ILE 9 HB ILE 9 -18.290 -5.524 4.118 46 HG12 ILE 9 1HG1 ILE 9 -19.633 -5.934 1.998 47 HG13 ILE 9 2HG1 ILE 9 -19.334 -4.248 1.589 48 HG21 ILE 9 1HG2 ILE 9 -20.202 -4.159 5.168 49 HG22 ILE 9 2HG2 ILE 9 -20.930 -4.222 3.564 50 HG23 ILE 9 3HG2 ILE 9 -20.588 -5.716 4.436 51 HD11 ILE 9 1HD1 ILE 9 -16.888 -5.603 2.289 52 HD12 ILE 9 2HD1 ILE 9 -17.735 -6.424 0.978 53 HD13 ILE 9 3HD1 ILE 9 -17.312 -4.719 0.823 54 H VAL 10 H VAL 10 -16.846 -4.796 5.488 55 HA VAL 10 HA VAL 10 -14.216 -4.031 4.432 56 HB VAL 10 HB VAL 10 -14.918 -5.346 7.061 57 HG11 VAL 10 1HG1 VAL 10 -12.278 -4.110 6.364 58 HG12 VAL 10 2HG1 VAL 10 -12.667 -5.251 7.653 59 HG13 VAL 10 3HG1 VAL 10 -12.625 -5.794 5.975 60 HG21 VAL 10 1HG2 VAL 10 -14.419 -2.508 6.258 61 HG22 VAL 10 2HG2 VAL 10 -15.683 -3.171 7.294 62 HG23 VAL 10 3HG2 VAL 10 -14.028 -3.053 7.889 63 H GLY 11 H GLY 11 -16.261 -6.804 5.126 64 HA2 GLY 11 1HA GLY 11 -16.174 -8.815 3.880 65 HA3 GLY 11 2HA GLY 11 -14.516 -8.438 3.436 66 H GLU 12 H GLU 12 -14.432 -10.824 4.052 67 HA GLU 12 HA GLU 12 -14.139 -11.173 6.951 68 HB2 GLU 12 1HB GLU 12 -14.630 -13.044 4.672 69 HB3 GLU 12 2HB GLU 12 -13.840 -13.657 6.118 70 HG2 GLU 12 1HG GLU 12 -16.452 -12.182 6.204 71 HG3 GLU 12 2HG GLU 12 -16.345 -13.929 5.993 72 H LEU 13 H LEU 13 -12.245 -12.007 7.853 73 HA LEU 13 HA LEU 13 -9.837 -11.064 6.899 74 HB2 LEU 13 1HB LEU 13 -10.494 -13.299 8.790 75 HB3 LEU 13 2HB LEU 13 -8.827 -12.862 8.422 76 HG LEU 13 HG LEU 13 -10.842 -10.942 9.577 77 HD11 LEU 13 1HD1 LEU 13 -10.490 -11.748 11.615 78 HD12 LEU 13 2HD1 LEU 13 -8.743 -11.767 11.372 79 HD13 LEU 13 3HD1 LEU 13 -9.719 -13.144 10.860 80 HD21 LEU 13 1HD2 LEU 13 -8.063 -10.766 8.672 81 HD22 LEU 13 2HD2 LEU 13 -8.344 -10.109 10.284 82 HD23 LEU 13 3HD2 LEU 13 -9.265 -9.497 8.909 83 H GLU 14 H GLU 14 -10.887 -14.477 6.835 84 HA GLU 14 HA GLU 14 -8.782 -15.438 5.280 85 HB2 GLU 14 1HB GLU 14 -11.585 -16.393 5.767 86 HB3 GLU 14 2HB GLU 14 -10.551 -17.232 4.618 87 HG2 GLU 14 1HG GLU 14 -9.505 -16.684 7.347 88 HG3 GLU 14 2HG GLU 14 -10.685 -17.975 7.127 89 H GLN 15 H GLN 15 -11.853 -13.997 4.337 90 HA GLN 15 HA GLN 15 -11.830 -14.600 1.618 91 HB2 GLN 15 1HB GLN 15 -13.039 -12.421 3.263 92 HB3 GLN 15 2HB GLN 15 -13.071 -12.271 1.512 93 HG2 GLN 15 1HG GLN 15 -14.035 -14.770 2.835 94 HG3 GLN 15 2HG GLN 15 -15.072 -13.348 2.731 95 HE21 GLN 15 1HE2 GLN 15 -16.171 -13.008 0.916 96 HE22 GLN 15 2HE2 GLN 15 -15.960 -13.882 -0.559 97 H MET 16 H MET 16 -10.039 -12.223 3.431 98 HA MET 16 HA MET 16 -9.265 -10.512 1.359 99 HB2 MET 16 1HB MET 16 -7.654 -11.291 3.795 100 HB3 MET 16 2HB MET 16 -7.415 -9.856 2.808 101 HG2 MET 16 1HG MET 16 -9.794 -9.222 3.429 102 HG3 MET 16 2HG MET 16 -9.695 -10.492 4.646 103 HE1 MET 16 1HE MET 16 -9.361 -7.164 6.719 104 HE2 MET 16 2HE MET 16 -10.388 -7.513 5.328 105 HE3 MET 16 3HE MET 16 -10.202 -8.710 6.610 106 H VAL 17 H VAL 17 -7.327 -10.394 0.139 107 HA VAL 17 HA VAL 17 -5.903 -12.954 -0.171 108 HB VAL 17 HB VAL 17 -5.838 -12.694 -2.559 109 HG11 VAL 17 1HG1 VAL 17 -7.859 -13.600 -2.841 110 HG12 VAL 17 2HG1 VAL 17 -8.113 -13.282 -1.124 111 HG13 VAL 17 3HG1 VAL 17 -8.684 -12.128 -2.330 112 HG21 VAL 17 1HG2 VAL 17 -5.696 -10.463 -3.077 113 HG22 VAL 17 2HG2 VAL 17 -7.381 -10.780 -3.490 114 HG23 VAL 17 3HG2 VAL 17 -6.980 -10.008 -1.956 115 H SER 18 H SER 18 -3.736 -12.834 -0.265 116 HA SER 18 HA SER 18 -2.502 -10.247 0.153 117 HB2 SER 18 1HB SER 18 -0.568 -11.426 0.821 118 HB3 SER 18 2HB SER 18 -1.908 -12.417 1.398 119 HG SER 18 HG SER 18 -0.120 -12.879 -0.706 120 H GLU 19 H GLU 19 -1.433 -9.088 -1.320 121 HA GLU 19 HA GLU 19 -0.722 -10.382 -3.868 122 HB2 GLU 19 1HB GLU 19 -2.278 -7.896 -3.360 123 HB3 GLU 19 2HB GLU 19 -1.173 -7.898 -4.728 124 HG2 GLU 19 1HG GLU 19 -2.357 -9.514 -5.859 125 HG3 GLU 19 2HG GLU 19 -3.101 -10.147 -4.392 126 H ASP 20 H ASP 20 0.972 -9.232 -5.084 127 HA ASP 20 HA ASP 20 2.879 -7.929 -3.254 128 HB2 ASP 20 1HB ASP 20 4.611 -8.780 -4.944 129 HB3 ASP 20 2HB ASP 20 3.858 -9.975 -3.892 130 H VAL 21 H VAL 21 3.185 -5.847 -3.634 131 HA VAL 21 HA VAL 21 2.738 -4.825 -6.360 132 HB VAL 21 HB VAL 21 2.812 -3.063 -3.936 133 HG11 VAL 21 1HG1 VAL 21 0.955 -2.027 -5.560 134 HG12 VAL 21 2HG1 VAL 21 2.676 -1.664 -5.715 135 HG13 VAL 21 3HG1 VAL 21 1.932 -2.881 -6.754 136 HG21 VAL 21 1HG2 VAL 21 1.216 -4.715 -3.296 137 HG22 VAL 21 2HG2 VAL 21 0.318 -3.298 -3.840 138 HG23 VAL 21 3HG2 VAL 21 0.473 -4.702 -4.896 139 HA PRO 22 HA PRO 22 7.138 -4.141 -6.430 140 HB2 PRO 22 1HB PRO 22 7.197 -2.949 -8.869 141 HB3 PRO 22 2HB PRO 22 7.030 -4.696 -8.657 142 HG2 PRO 22 1HG PRO 22 4.919 -2.644 -9.201 143 HG3 PRO 22 2HG PRO 22 5.122 -4.256 -9.912 144 HD2 PRO 22 1HD PRO 22 3.345 -3.750 -7.933 145 HD3 PRO 22 2HD PRO 22 4.170 -5.313 -8.099 146 H LEU 23 H LEU 23 7.520 -2.589 -4.883 147 HA LEU 23 HA LEU 23 7.118 0.208 -5.720 148 HB2 LEU 23 1HB LEU 23 5.750 -0.650 -3.748 149 HB3 LEU 23 2HB LEU 23 7.274 -0.717 -2.865 150 HG LEU 23 HG LEU 23 7.534 1.731 -3.264 151 HD11 LEU 23 1HD1 LEU 23 5.126 2.753 -3.746 152 HD12 LEU 23 2HD1 LEU 23 4.982 1.274 -4.695 153 HD13 LEU 23 3HD1 LEU 23 6.286 2.413 -5.031 154 HD21 LEU 23 1HD2 LEU 23 5.137 2.014 -1.862 155 HD22 LEU 23 2HD2 LEU 23 6.746 1.756 -1.187 156 HD23 LEU 23 3HD2 LEU 23 5.694 0.378 -1.510 157 H ASP 24 H ASP 24 8.877 1.452 -5.831 158 HA ASP 24 HA ASP 24 11.463 0.332 -5.477 159 HB2 ASP 24 1HB ASP 24 10.722 2.190 -7.104 160 HB3 ASP 24 2HB ASP 24 10.914 3.281 -5.733 161 H HIS 25 H HIS 25 12.996 0.673 -3.913 162 HA HIS 25 HA HIS 25 12.084 1.206 -1.286 163 HB2 HIS 25 1HB HIS 25 14.111 -0.222 -2.144 164 HB3 HIS 25 2HB HIS 25 14.992 1.296 -2.000 165 HD1 HIS 25 1HD HIS 25 15.636 -1.168 -0.225 166 HD2 HIS 25 2HD HIS 25 13.151 1.970 0.889 167 HE1 HIS 25 1HE HIS 25 15.629 -1.175 2.290 168 H ARG 26 H ARG 26 13.046 3.257 -3.795 169 HA ARG 26 HA ARG 26 14.134 5.363 -2.170 170 HB2 ARG 26 1HB ARG 26 13.295 5.182 -5.057 171 HB3 ARG 26 2HB ARG 26 13.815 6.699 -4.334 172 HG2 ARG 26 1HG ARG 26 15.970 5.666 -3.761 173 HG3 ARG 26 2HG ARG 26 15.444 4.176 -4.546 174 HD2 ARG 26 1HD ARG 26 15.301 6.705 -6.100 175 HD3 ARG 26 2HD ARG 26 16.890 5.996 -5.816 176 HE ARG 26 HE ARG 26 14.959 4.120 -6.813 177 HH11 ARG 26 1HH1 ARG 26 17.295 6.551 -7.681 178 HH12 ARG 26 2HH1 ARG 26 17.556 5.917 -9.272 179 HH21 ARG 26 1HH2 ARG 26 15.295 3.276 -8.905 180 HH22 ARG 26 2HH2 ARG 26 16.418 4.055 -9.968 181 H VAL 27 H VAL 27 11.014 4.268 -2.923 182 HA VAL 27 HA VAL 27 9.853 6.838 -2.060 183 HB VAL 27 HB VAL 27 7.839 6.309 -3.291 184 HG11 VAL 27 1HG1 VAL 27 10.457 6.392 -4.660 185 HG12 VAL 27 2HG1 VAL 27 9.057 5.975 -5.652 186 HG13 VAL 27 3HG1 VAL 27 9.087 7.497 -4.760 187 HG21 VAL 27 1HG2 VAL 27 7.331 4.306 -4.209 188 HG22 VAL 27 2HG2 VAL 27 8.999 3.973 -4.677 189 HG23 VAL 27 3HG2 VAL 27 8.482 3.716 -3.010 190 H HIS 28 H HIS 28 10.671 4.010 -0.841 191 HA HIS 28 HA HIS 28 8.318 2.949 0.291 192 HB2 HIS 28 1HB HIS 28 11.238 2.705 0.843 193 HB3 HIS 28 2HB HIS 28 10.116 2.152 2.082 194 HD2 HIS 28 2HD HIS 28 8.974 1.482 -1.538 195 HE1 HIS 28 1HE HIS 28 10.505 -2.154 0.024 196 HE2 HIS 28 2HE HIS 28 9.330 -1.053 -1.913 197 H ALA 29 H ALA 29 10.889 4.662 2.069 198 HA ALA 29 HA ALA 29 9.407 5.221 4.342 199 HB1 ALA 29 1HB ALA 29 11.297 7.337 3.693 200 HB2 ALA 29 2HB ALA 29 11.283 6.205 5.046 201 HB3 ALA 29 3HB ALA 29 11.977 5.721 3.498 202 H ARG 30 H ARG 30 9.935 7.302 1.501 203 HA ARG 30 HA ARG 30 8.624 9.572 2.233 204 HB2 ARG 30 1HB ARG 30 8.958 8.158 -0.363 205 HB3 ARG 30 2HB ARG 30 7.794 9.474 -0.303 206 HG2 ARG 30 1HG ARG 30 9.814 10.429 -1.028 207 HG3 ARG 30 2HG ARG 30 9.645 10.895 0.666 208 HD2 ARG 30 1HD ARG 30 11.093 8.905 1.229 209 HD3 ARG 30 2HD ARG 30 11.412 8.755 -0.498 210 HE ARG 30 HE ARG 30 12.050 11.327 0.009 211 HH11 ARG 30 1HH1 ARG 30 12.955 8.316 1.505 212 HH12 ARG 30 2HH1 ARG 30 14.516 8.881 1.999 213 HH21 ARG 30 1HH2 ARG 30 14.103 12.082 0.654 214 HH22 ARG 30 2HH2 ARG 30 15.168 11.023 1.515 215 H ILE 31 H ILE 31 7.174 6.530 1.206 216 HA ILE 31 HA ILE 31 4.489 7.602 1.308 217 HB ILE 31 HB ILE 31 5.578 4.842 0.804 218 HG12 ILE 31 1HG1 ILE 31 3.864 6.587 -0.963 219 HG13 ILE 31 2HG1 ILE 31 5.622 6.677 -0.966 220 HG21 ILE 31 1HG2 ILE 31 2.887 5.643 1.634 221 HG22 ILE 31 2HG2 ILE 31 2.935 4.663 0.170 222 HG23 ILE 31 3HG2 ILE 31 3.660 4.058 1.660 223 HD11 ILE 31 1HD1 ILE 31 5.779 4.388 -1.687 224 HD12 ILE 31 2HD1 ILE 31 4.030 4.197 -1.566 225 HD13 ILE 31 3HD1 ILE 31 4.718 5.281 -2.775 226 H ILE 32 H ILE 32 6.442 5.309 3.188 227 HA ILE 32 HA ILE 32 4.563 4.512 5.051 228 HB ILE 32 HB ILE 32 7.501 5.021 5.533 229 HG12 ILE 32 1HG1 ILE 32 6.314 2.316 5.086 230 HG13 ILE 32 2HG1 ILE 32 6.584 3.354 3.690 231 HG21 ILE 32 1HG2 ILE 32 5.593 4.550 7.431 232 HG22 ILE 32 2HG2 ILE 32 6.168 2.924 7.069 233 HG23 ILE 32 3HG2 ILE 32 7.306 4.165 7.592 234 HD11 ILE 32 1HD1 ILE 32 8.719 2.794 3.661 235 HD12 ILE 32 2HD1 ILE 32 8.922 3.358 5.320 236 HD13 ILE 32 3HD1 ILE 32 8.427 1.695 5.009 237 H GLY 33 H GLY 33 6.505 7.458 4.970 238 HA2 GLY 33 1HA GLY 33 5.811 9.514 5.897 239 HA3 GLY 33 2HA GLY 33 4.686 8.643 6.929 240 H ALA 34 H ALA 34 5.418 9.839 8.736 241 HA ALA 34 HA ALA 34 8.189 9.485 9.564 242 HB1 ALA 34 1HB ALA 34 6.968 11.681 9.768 243 HB2 ALA 34 2HB ALA 34 6.023 10.941 11.061 244 HB3 ALA 34 3HB ALA 34 7.770 11.113 11.233 245 H ARG 35 H ARG 35 5.018 9.080 11.158 246 HA ARG 35 HA ARG 35 6.198 6.900 12.743 247 HB2 ARG 35 1HB ARG 35 4.034 8.894 13.300 248 HB3 ARG 35 2HB ARG 35 4.026 7.349 14.141 249 HG2 ARG 35 1HG ARG 35 6.326 7.824 14.933 250 HG3 ARG 35 2HG ARG 35 6.210 9.419 14.187 251 HD2 ARG 35 1HD ARG 35 4.010 9.576 15.606 252 HD3 ARG 35 2HD ARG 35 4.790 8.323 16.571 253 HE ARG 35 HE ARG 35 6.581 10.459 16.136 254 HH11 ARG 35 1HH1 ARG 35 3.717 9.633 17.934 255 HH12 ARG 35 2HH1 ARG 35 4.052 10.737 19.226 256 HH21 ARG 35 1HH2 ARG 35 7.034 11.916 17.832 257 HH22 ARG 35 2HH2 ARG 35 5.939 12.035 19.167 258 H GLY 36 H GLY 36 5.027 6.789 9.981 259 HA2 GLY 36 1HA GLY 36 3.958 5.063 8.857 260 HA3 GLY 36 2HA GLY 36 3.465 4.400 10.408 261 H LYS 37 H LYS 37 2.844 7.705 9.417 262 HA LYS 37 HA LYS 37 -0.011 7.224 9.716 263 HB2 LYS 37 1HB LYS 37 1.079 9.176 10.808 264 HB3 LYS 37 2HB LYS 37 1.459 9.819 9.215 265 HG2 LYS 37 1HG LYS 37 -0.446 10.978 9.658 266 HG3 LYS 37 2HG LYS 37 -1.141 9.561 8.867 267 HD2 LYS 37 1HD LYS 37 -1.365 8.560 11.192 268 HD3 LYS 37 2HD LYS 37 -0.999 10.173 11.811 269 HE2 LYS 37 1HE LYS 37 -2.910 11.006 10.372 270 HE3 LYS 37 2HE LYS 37 -3.340 9.314 10.125 271 HZ1 LYS 37 1HZ LYS 37 -3.047 10.489 12.826 272 HZ2 LYS 37 2HZ LYS 37 -3.804 9.039 12.393 273 HZ3 LYS 37 3HZ LYS 37 -4.515 10.519 11.986 274 H ALA 38 H ALA 38 2.154 8.704 7.302 275 HA ALA 38 HA ALA 38 0.375 9.249 5.297 276 HB1 ALA 38 1HB ALA 38 3.229 8.344 5.223 277 HB2 ALA 38 2HB ALA 38 2.336 8.649 3.733 278 HB3 ALA 38 3HB ALA 38 2.557 9.944 4.909 279 H ILE 39 H ILE 39 1.602 6.127 6.284 280 HA ILE 39 HA ILE 39 0.374 4.793 4.004 281 HB ILE 39 HB ILE 39 2.603 4.068 4.879 282 HG12 ILE 39 1HG1 ILE 39 2.011 1.606 4.882 283 HG13 ILE 39 2HG1 ILE 39 0.319 2.090 4.844 284 HG21 ILE 39 1HG2 ILE 39 2.921 3.188 6.959 285 HG22 ILE 39 2HG2 ILE 39 1.631 4.332 7.324 286 HG23 ILE 39 3HG2 ILE 39 1.255 2.624 7.097 287 HD11 ILE 39 1HD1 ILE 39 0.507 2.983 2.698 288 HD12 ILE 39 2HD1 ILE 39 2.269 3.034 2.777 289 HD13 ILE 39 3HD1 ILE 39 1.436 1.485 2.639 290 H ARG 40 H ARG 40 -0.375 5.633 7.231 291 HA ARG 40 HA ARG 40 -2.186 3.520 7.821 292 HB2 ARG 40 1HB ARG 40 -1.064 5.165 9.448 293 HB3 ARG 40 2HB ARG 40 -2.337 6.288 8.990 294 HG2 ARG 40 1HG ARG 40 -3.145 5.305 10.927 295 HG3 ARG 40 2HG ARG 40 -3.955 4.405 9.642 296 HD2 ARG 40 1HD ARG 40 -3.240 2.687 10.986 297 HD3 ARG 40 2HD ARG 40 -1.883 2.819 9.869 298 HE ARG 40 HE ARG 40 -1.616 4.397 12.268 299 HH11 ARG 40 1HH1 ARG 40 -1.040 1.314 10.757 300 HH12 ARG 40 2HH1 ARG 40 0.247 0.881 11.832 301 HH21 ARG 40 1HH2 ARG 40 0.077 3.838 13.690 302 HH22 ARG 40 2HH2 ARG 40 0.881 2.316 13.501 303 H LYS 41 H LYS 41 -2.542 6.743 6.422 304 HA LYS 41 HA LYS 41 -5.372 6.736 6.326 305 HB2 LYS 41 1HB LYS 41 -5.198 8.712 5.078 306 HB3 LYS 41 2HB LYS 41 -3.763 8.725 6.093 307 HG2 LYS 41 1HG LYS 41 -2.377 8.054 4.276 308 HG3 LYS 41 2HG LYS 41 -3.779 7.745 3.249 309 HD2 LYS 41 1HD LYS 41 -4.164 9.976 2.872 310 HD3 LYS 41 2HD LYS 41 -3.430 10.471 4.399 311 HE2 LYS 41 1HE LYS 41 -1.225 10.058 3.529 312 HE3 LYS 41 2HE LYS 41 -1.893 9.377 2.047 313 HZ1 LYS 41 1HZ LYS 41 -2.583 12.131 2.807 314 HZ2 LYS 41 2HZ LYS 41 -2.504 11.432 1.269 315 HZ3 LYS 41 3HZ LYS 41 -1.080 11.822 2.095 316 H ILE 42 H ILE 42 -2.878 5.608 4.126 317 HA ILE 42 HA ILE 42 -4.565 5.168 1.892 318 HB ILE 42 HB ILE 42 -1.991 3.734 2.551 319 HG12 ILE 42 1HG1 ILE 42 -2.469 6.333 1.077 320 HG13 ILE 42 2HG1 ILE 42 -1.626 6.137 2.610 321 HG21 ILE 42 1HG2 ILE 42 -1.943 2.963 0.408 322 HG22 ILE 42 2HG2 ILE 42 -3.689 3.021 0.648 323 HG23 ILE 42 3HG2 ILE 42 -2.875 4.322 -0.221 324 HD11 ILE 42 1HD1 ILE 42 -0.497 4.522 0.471 325 HD12 ILE 42 2HD1 ILE 42 -0.460 6.255 0.141 326 HD13 ILE 42 3HD1 ILE 42 0.289 5.620 1.606 327 H MET 43 H MET 43 -3.486 3.098 4.554 328 HA MET 43 HA MET 43 -4.590 0.691 3.628 329 HB2 MET 43 1HB MET 43 -3.756 1.737 6.298 330 HB3 MET 43 2HB MET 43 -4.690 0.248 6.233 331 HG2 MET 43 1HG MET 43 -2.975 -0.637 4.629 332 HG3 MET 43 2HG MET 43 -2.009 0.792 4.992 333 HE1 MET 43 1HE MET 43 -0.279 0.793 6.456 334 HE2 MET 43 2HE MET 43 -1.274 1.292 7.823 335 HE3 MET 43 3HE MET 43 -0.125 -0.035 8.006 336 H ASP 44 H ASP 44 -5.910 3.012 5.993 337 HA ASP 44 HA ASP 44 -8.387 1.750 6.329 338 HB2 ASP 44 1HB ASP 44 -7.333 4.497 6.829 339 HB3 ASP 44 2HB ASP 44 -9.077 4.254 6.885 340 H GLU 45 H GLU 45 -7.251 4.032 3.920 341 HA GLU 45 HA GLU 45 -9.622 4.910 2.820 342 HB2 GLU 45 1HB GLU 45 -7.477 5.774 2.091 343 HB3 GLU 45 2HB GLU 45 -7.037 4.210 1.420 344 HG2 GLU 45 1HG GLU 45 -8.642 4.397 -0.309 345 HG3 GLU 45 2HG GLU 45 -9.396 5.797 0.452 346 H PHE 46 H PHE 46 -7.757 2.047 1.798 347 HA PHE 46 HA PHE 46 -10.150 1.049 0.426 348 HB2 PHE 46 1HB PHE 46 -7.366 -0.096 0.236 349 HB3 PHE 46 2HB PHE 46 -8.717 -0.343 -0.866 350 HD1 PHE 46 1HD PHE 46 -6.089 1.970 0.203 351 HD2 PHE 46 2HD PHE 46 -9.278 1.294 -2.534 352 HE1 PHE 46 1HE PHE 46 -5.286 3.834 -1.189 353 HE2 PHE 46 2HE PHE 46 -8.480 3.155 -3.930 354 HZ PHE 46 HZ PHE 46 -6.481 4.427 -3.259 355 H LYS 47 H LYS 47 -8.934 0.867 3.393 356 HA LYS 47 HA LYS 47 -9.094 -0.585 5.137 357 HB2 LYS 47 1HB LYS 47 -11.066 -2.038 3.366 358 HB3 LYS 47 2HB LYS 47 -10.937 -2.168 5.115 359 HG2 LYS 47 1HG LYS 47 -11.483 0.476 3.832 360 HG3 LYS 47 2HG LYS 47 -12.785 -0.688 4.089 361 HD2 LYS 47 1HD LYS 47 -12.144 -0.774 6.495 362 HD3 LYS 47 2HD LYS 47 -10.982 0.518 6.186 363 HE2 LYS 47 1HE LYS 47 -13.100 1.709 5.163 364 HE3 LYS 47 2HE LYS 47 -13.960 0.600 6.231 365 HZ1 LYS 47 1HZ LYS 47 -13.592 2.071 7.832 366 HZ2 LYS 47 2HZ LYS 47 -12.528 2.975 6.876 367 HZ3 LYS 47 3HZ LYS 47 -11.952 1.659 7.770 368 H VAL 48 H VAL 48 -6.939 -1.034 3.471 369 HA VAL 48 HA VAL 48 -6.755 -3.974 3.383 370 HB VAL 48 HB VAL 48 -4.928 -3.698 1.762 371 HG11 VAL 48 1HG1 VAL 48 -6.645 -4.025 0.377 372 HG12 VAL 48 2HG1 VAL 48 -7.702 -2.966 1.313 373 HG13 VAL 48 3HG1 VAL 48 -6.620 -2.284 0.098 374 HG21 VAL 48 1HG2 VAL 48 -5.616 -0.827 1.383 375 HG22 VAL 48 2HG2 VAL 48 -4.522 -1.265 2.695 376 HG23 VAL 48 3HG2 VAL 48 -4.115 -1.685 1.031 377 H ASP 49 H ASP 49 -4.325 -4.662 3.550 378 HA ASP 49 HA ASP 49 -3.076 -3.173 5.764 379 HB2 ASP 49 1HB ASP 49 -3.779 -6.059 5.556 380 HB3 ASP 49 2HB ASP 49 -2.262 -5.648 6.351 381 H ILE 50 H ILE 50 -1.477 -2.196 4.606 382 HA ILE 50 HA ILE 50 0.092 -3.643 2.671 383 HB ILE 50 HB ILE 50 0.497 -0.888 3.840 384 HG12 ILE 50 1HG1 ILE 50 -0.580 -1.676 1.128 385 HG13 ILE 50 2HG1 ILE 50 -1.603 -1.270 2.502 386 HG21 ILE 50 1HG2 ILE 50 1.694 -1.186 1.287 387 HG22 ILE 50 2HG2 ILE 50 2.471 -0.844 2.832 388 HG23 ILE 50 3HG2 ILE 50 2.248 -2.513 2.307 389 HD11 ILE 50 1HD1 ILE 50 0.365 0.544 1.131 390 HD12 ILE 50 2HD1 ILE 50 -1.395 0.630 1.050 391 HD13 ILE 50 3HD1 ILE 50 -0.565 0.962 2.570 392 H ARG 51 H ARG 51 1.877 -4.778 3.045 393 HA ARG 51 HA ARG 51 3.252 -4.408 5.626 394 HB2 ARG 51 1HB ARG 51 2.005 -6.605 5.231 395 HB3 ARG 51 2HB ARG 51 3.239 -6.964 4.031 396 HG2 ARG 51 1HG ARG 51 3.988 -8.041 5.947 397 HG3 ARG 51 2HG ARG 51 4.922 -6.544 5.915 398 HD2 ARG 51 1HD ARG 51 3.712 -5.602 7.656 399 HD3 ARG 51 2HD ARG 51 2.334 -6.673 7.407 400 HE ARG 51 HE ARG 51 3.321 -8.198 8.795 401 HH11 ARG 51 1HH1 ARG 51 5.713 -5.885 7.770 402 HH12 ARG 51 2HH1 ARG 51 6.939 -6.485 8.838 403 HH21 ARG 51 1HH2 ARG 51 4.926 -8.996 10.205 404 HH22 ARG 51 2HH2 ARG 51 6.491 -8.255 10.221 405 H PHE 52 H PHE 52 4.946 -3.132 5.115 406 HA PHE 52 HA PHE 52 6.374 -3.298 2.662 407 HB2 PHE 52 1HB PHE 52 6.822 -1.867 5.263 408 HB3 PHE 52 2HB PHE 52 8.076 -1.879 4.028 409 HD1 PHE 52 1HD PHE 52 7.536 -0.957 1.750 410 HD2 PHE 52 2HD PHE 52 4.993 -0.416 5.119 411 HE1 PHE 52 1HE PHE 52 6.432 0.923 0.609 412 HE2 PHE 52 2HE PHE 52 3.883 1.464 3.984 413 HZ PHE 52 HZ PHE 52 4.602 2.135 1.726 414 HA PRO 53 HA PRO 53 9.235 -6.532 3.463 415 HB2 PRO 53 1HB PRO 53 11.352 -5.692 1.985 416 HB3 PRO 53 2HB PRO 53 9.871 -6.334 1.264 417 HG2 PRO 53 1HG PRO 53 10.719 -3.486 1.630 418 HG3 PRO 53 2HG PRO 53 9.960 -4.256 0.224 419 HD2 PRO 53 1HD PRO 53 8.562 -2.764 2.000 420 HD3 PRO 53 2HD PRO 53 7.850 -4.148 1.147 421 H GLN 54 H GLN 54 10.412 -6.919 5.224 422 HA GLN 54 HA GLN 54 11.603 -4.805 6.733 423 HB2 GLN 54 1HB GLN 54 12.299 -6.582 8.275 424 HB3 GLN 54 2HB GLN 54 10.600 -6.730 7.846 425 HG2 GLN 54 1HG GLN 54 11.323 -8.421 6.112 426 HG3 GLN 54 2HG GLN 54 12.904 -8.398 6.891 427 HE21 GLN 54 1HE2 GLN 54 9.773 -9.671 6.933 428 HE22 GLN 54 2HE2 GLN 54 9.881 -10.541 8.421 429 H SER 55 H SER 55 13.897 -5.030 7.558 430 HA SER 55 HA SER 55 15.726 -4.601 5.565 431 HB2 SER 55 1HB SER 55 16.271 -5.741 8.317 432 HB3 SER 55 2HB SER 55 17.482 -5.015 7.261 433 HG SER 55 HG SER 55 16.485 -3.052 7.475 434 H GLY 56 H GLY 56 15.235 -7.657 7.335 435 HA2 GLY 56 1HA GLY 56 17.032 -9.062 5.546 436 HA3 GLY 56 2HA GLY 56 16.154 -9.753 6.903 437 H ALA 57 H ALA 57 14.370 -7.873 4.634 438 HA ALA 57 HA ALA 57 12.727 -10.113 3.950 439 HB1 ALA 57 1HB ALA 57 11.926 -7.746 4.222 440 HB2 ALA 57 2HB ALA 57 12.680 -7.390 2.668 441 HB3 ALA 57 3HB ALA 57 11.370 -8.567 2.764 442 HA PRO 58 HA PRO 58 14.761 -11.535 0.320 443 HB2 PRO 58 1HB PRO 58 12.642 -12.571 -1.024 444 HB3 PRO 58 2HB PRO 58 13.343 -13.341 0.404 445 HG2 PRO 58 1HG PRO 58 10.912 -11.608 0.188 446 HG3 PRO 58 2HG PRO 58 11.141 -13.105 1.111 447 HD2 PRO 58 1HD PRO 58 11.258 -10.654 2.257 448 HD3 PRO 58 2HD PRO 58 12.228 -12.025 2.833 449 H ASP 59 H ASP 59 12.033 -9.357 0.069 450 HA ASP 59 HA ASP 59 13.171 -8.300 -2.425 451 HB2 ASP 59 1HB ASP 59 10.279 -8.966 -1.881 452 HB3 ASP 59 2HB ASP 59 10.767 -7.850 -3.153 453 HA PRO 60 HA PRO 60 12.776 -4.871 0.573 454 HB2 PRO 60 1HB PRO 60 14.898 -3.495 -0.414 455 HB3 PRO 60 2HB PRO 60 15.066 -4.812 0.753 456 HG2 PRO 60 1HG PRO 60 15.431 -4.855 -2.218 457 HG3 PRO 60 2HG PRO 60 16.425 -5.610 -0.958 458 HD2 PRO 60 1HD PRO 60 14.611 -7.000 -2.410 459 HD3 PRO 60 2HD PRO 60 14.991 -7.399 -0.723 460 H ASN 61 H ASN 61 12.218 -5.253 -2.681 461 HA ASN 61 HA ASN 61 11.417 -2.433 -2.987 462 HB2 ASN 61 1HB ASN 61 11.531 -3.126 -5.530 463 HB3 ASN 61 2HB ASN 61 12.986 -2.640 -4.666 464 HD21 ASN 61 1HD2 ASN 61 14.600 -3.827 -5.378 465 HD22 ASN 61 2HD2 ASN 61 14.581 -5.540 -5.600 466 H CYS 62 H CYS 62 10.119 -5.170 -2.132 467 HA CYS 62 HA CYS 62 7.660 -4.734 -3.689 468 HB2 CYS 62 1HB CYS 62 8.968 -6.869 -4.259 469 HB3 CYS 62 2HB CYS 62 8.488 -7.444 -2.667 470 HG CYS 62 HG CYS 62 6.912 -8.007 -5.299 471 H VAL 63 H VAL 63 5.761 -4.736 -2.564 472 HA VAL 63 HA VAL 63 5.958 -5.125 0.352 473 HB VAL 63 HB VAL 63 4.390 -3.346 0.712 474 HG11 VAL 63 1HG1 VAL 63 6.317 -2.192 0.735 475 HG12 VAL 63 2HG1 VAL 63 6.858 -2.871 -0.801 476 HG13 VAL 63 3HG1 VAL 63 5.730 -1.514 -0.784 477 HG21 VAL 63 1HG2 VAL 63 3.631 -1.952 -1.255 478 HG22 VAL 63 2HG2 VAL 63 4.188 -3.266 -2.290 479 HG23 VAL 63 3HG2 VAL 63 2.902 -3.552 -1.118 480 H THR 64 H THR 64 4.479 -6.409 1.293 481 HA THR 64 HA THR 64 2.565 -7.759 -0.439 482 HB THR 64 HB THR 64 3.505 -8.323 2.373 483 HG1 THR 64 1HG THR 64 4.953 -9.274 1.124 484 HG21 THR 64 1HG2 THR 64 1.366 -9.120 2.588 485 HG22 THR 64 2HG2 THR 64 2.130 -10.520 1.834 486 HG23 THR 64 3HG2 THR 64 1.181 -9.400 0.857 487 H VAL 65 H VAL 65 0.606 -6.906 -0.640 488 HA VAL 65 HA VAL 65 -0.564 -5.465 1.640 489 HB VAL 65 HB VAL 65 -1.357 -5.401 -1.276 490 HG11 VAL 65 1HG1 VAL 65 -2.983 -4.909 0.852 491 HG12 VAL 65 2HG1 VAL 65 -2.329 -3.303 0.523 492 HG13 VAL 65 3HG1 VAL 65 -3.171 -4.192 -0.747 493 HG21 VAL 65 1HG2 VAL 65 -0.549 -3.003 -1.049 494 HG22 VAL 65 2HG2 VAL 65 0.225 -3.514 0.451 495 HG23 VAL 65 3HG2 VAL 65 0.694 -4.254 -1.080 496 H THR 66 H THR 66 -2.315 -6.222 2.658 497 HA THR 66 HA THR 66 -3.553 -8.673 1.604 498 HB THR 66 HB THR 66 -3.910 -7.703 4.423 499 HG1 THR 66 1HG THR 66 -1.778 -7.886 4.538 500 HG21 THR 66 1HG2 THR 66 -5.328 -9.520 3.831 501 HG22 THR 66 2HG2 THR 66 -4.018 -10.199 4.798 502 HG23 THR 66 3HG2 THR 66 -4.006 -10.381 3.044 503 H GLY 67 H GLY 67 -5.864 -8.957 1.890 504 HA2 GLY 67 1HA GLY 67 -7.931 -7.696 2.660 505 HA3 GLY 67 2HA GLY 67 -7.290 -6.380 1.687 506 H LEU 68 H LEU 68 -9.809 -7.290 1.198 507 HA LEU 68 HA LEU 68 -10.254 -9.348 -0.541 508 HB2 LEU 68 1HB LEU 68 -11.434 -6.586 -0.462 509 HB3 LEU 68 2HB LEU 68 -12.010 -7.821 -1.580 510 HG LEU 68 HG LEU 68 -13.446 -7.640 0.387 511 HD11 LEU 68 1HD1 LEU 68 -13.816 -9.780 -0.068 512 HD12 LEU 68 2HD1 LEU 68 -12.623 -10.188 1.165 513 HD13 LEU 68 3HD1 LEU 68 -12.131 -10.037 -0.522 514 HD21 LEU 68 1HD2 LEU 68 -11.642 -6.898 1.941 515 HD22 LEU 68 2HD2 LEU 68 -11.066 -8.565 1.989 516 HD23 LEU 68 3HD2 LEU 68 -12.678 -8.170 2.589 517 HA PRO 69 HA PRO 69 -8.104 -8.569 -4.289 518 HB2 PRO 69 1HB PRO 69 -9.811 -9.653 -6.101 519 HB3 PRO 69 2HB PRO 69 -8.837 -10.629 -4.994 520 HG2 PRO 69 1HG PRO 69 -11.713 -9.825 -4.780 521 HG3 PRO 69 2HG PRO 69 -10.963 -11.398 -4.448 522 HD2 PRO 69 1HD PRO 69 -11.620 -9.654 -2.484 523 HD3 PRO 69 2HD PRO 69 -10.228 -10.748 -2.363 524 H GLU 70 H GLU 70 -11.301 -7.321 -3.814 525 HA GLU 70 HA GLU 70 -11.238 -5.695 -6.217 526 HB2 GLU 70 1HB GLU 70 -13.436 -4.911 -5.511 527 HB3 GLU 70 2HB GLU 70 -13.364 -6.667 -5.465 528 HG2 GLU 70 1HG GLU 70 -12.769 -6.322 -2.965 529 HG3 GLU 70 2HG GLU 70 -13.463 -4.720 -3.206 530 H ASN 71 H ASN 71 -10.651 -5.380 -2.794 531 HA ASN 71 HA ASN 71 -10.514 -2.486 -2.910 532 HB2 ASN 71 1HB ASN 71 -10.190 -4.529 -0.732 533 HB3 ASN 71 2HB ASN 71 -9.663 -2.868 -0.479 534 HD21 ASN 71 1HD2 ASN 71 -11.900 -4.605 0.598 535 HD22 ASN 71 2HD2 ASN 71 -13.307 -3.615 0.441 536 H VAL 72 H VAL 72 -8.303 -5.224 -2.560 537 HA VAL 72 HA VAL 72 -5.938 -3.817 -2.112 538 HB VAL 72 HB VAL 72 -6.454 -6.467 -3.443 539 HG11 VAL 72 1HG1 VAL 72 -4.458 -5.980 -4.473 540 HG12 VAL 72 2HG1 VAL 72 -3.893 -4.967 -3.143 541 HG13 VAL 72 3HG1 VAL 72 -3.890 -6.724 -2.979 542 HG21 VAL 72 1HG2 VAL 72 -6.746 -5.976 -0.912 543 HG22 VAL 72 2HG2 VAL 72 -5.875 -7.425 -1.414 544 HG23 VAL 72 3HG2 VAL 72 -4.983 -6.000 -0.879 545 H GLU 73 H GLU 73 -7.234 -5.024 -5.209 546 HA GLU 73 HA GLU 73 -5.336 -4.137 -6.948 547 HB2 GLU 73 1HB GLU 73 -6.962 -4.196 -8.656 548 HB3 GLU 73 2HB GLU 73 -7.501 -5.372 -7.466 549 HG2 GLU 73 1HG GLU 73 -9.088 -3.744 -6.574 550 HG3 GLU 73 2HG GLU 73 -8.550 -2.567 -7.771 551 H GLU 74 H GLU 74 -8.036 -2.219 -5.658 552 HA GLU 74 HA GLU 74 -7.447 0.155 -7.040 553 HB2 GLU 74 1HB GLU 74 -8.800 -0.191 -4.358 554 HB3 GLU 74 2HB GLU 74 -8.844 1.266 -5.341 555 HG2 GLU 74 1HG GLU 74 -9.998 -1.418 -6.061 556 HG3 GLU 74 2HG GLU 74 -10.894 0.028 -5.597 557 H ALA 75 H ALA 75 -6.426 -1.018 -3.859 558 HA ALA 75 HA ALA 75 -5.093 1.259 -2.966 559 HB1 ALA 75 1HB ALA 75 -5.097 -1.592 -2.297 560 HB2 ALA 75 2HB ALA 75 -3.594 -0.754 -1.908 561 HB3 ALA 75 3HB ALA 75 -5.123 -0.177 -1.245 562 H ILE 76 H ILE 76 -3.878 -1.461 -4.899 563 HA ILE 76 HA ILE 76 -1.203 -0.763 -5.040 564 HB ILE 76 HB ILE 76 -2.892 -2.020 -7.205 565 HG12 ILE 76 1HG1 ILE 76 -1.033 -3.434 -5.307 566 HG13 ILE 76 2HG1 ILE 76 -2.708 -3.112 -4.872 567 HG21 ILE 76 1HG2 ILE 76 -1.098 -2.017 -8.508 568 HG22 ILE 76 2HG2 ILE 76 -0.213 -1.109 -7.284 569 HG23 ILE 76 3HG2 ILE 76 -0.181 -2.872 -7.267 570 HD11 ILE 76 1HD1 ILE 76 -3.344 -4.920 -5.965 571 HD12 ILE 76 2HD1 ILE 76 -2.661 -4.279 -7.460 572 HD13 ILE 76 3HD1 ILE 76 -1.663 -5.252 -6.380 573 H ASP 77 H ASP 77 -3.705 0.028 -7.462 574 HA ASP 77 HA ASP 77 -2.258 1.625 -9.139 575 HB2 ASP 77 1HB ASP 77 -4.745 0.950 -9.246 576 HB3 ASP 77 2HB ASP 77 -5.042 2.412 -8.309 577 H HIS 78 H HIS 78 -3.580 2.472 -5.995 578 HA HIS 78 HA HIS 78 -2.966 5.258 -6.198 579 HB2 HIS 78 1HB HIS 78 -4.727 4.597 -4.705 580 HB3 HIS 78 2HB HIS 78 -3.657 3.494 -3.844 581 HD1 HIS 78 1HD HIS 78 -5.039 6.797 -3.628 582 HD2 HIS 78 2HD HIS 78 -1.466 5.011 -2.487 583 HE1 HIS 78 1HE HIS 78 -4.038 8.335 -1.909 584 H ILE 79 H ILE 79 -1.298 2.411 -5.043 585 HA ILE 79 HA ILE 79 0.749 3.746 -3.607 586 HB ILE 79 HB ILE 79 0.699 1.004 -4.868 587 HG12 ILE 79 1HG1 ILE 79 0.532 1.768 -1.952 588 HG13 ILE 79 2HG1 ILE 79 -0.892 1.554 -2.965 589 HG21 ILE 79 1HG2 ILE 79 2.992 1.662 -4.692 590 HG22 ILE 79 2HG2 ILE 79 2.746 2.268 -3.055 591 HG23 ILE 79 3HG2 ILE 79 2.645 0.537 -3.379 592 HD11 ILE 79 1HD1 ILE 79 -0.807 -0.539 -2.169 593 HD12 ILE 79 2HD1 ILE 79 0.395 -0.762 -3.441 594 HD13 ILE 79 3HD1 ILE 79 0.912 -0.438 -1.787 595 H LEU 80 H LEU 80 0.810 2.193 -6.821 596 HA LEU 80 HA LEU 80 3.360 3.009 -7.566 597 HB2 LEU 80 1HB LEU 80 0.913 2.170 -9.020 598 HB3 LEU 80 2HB LEU 80 2.196 2.935 -9.954 599 HG LEU 80 HG LEU 80 2.758 0.571 -8.194 600 HD11 LEU 80 1HD1 LEU 80 2.485 -0.831 -10.228 601 HD12 LEU 80 2HD1 LEU 80 1.726 0.547 -11.024 602 HD13 LEU 80 3HD1 LEU 80 0.971 -0.176 -9.604 603 HD21 LEU 80 1HD2 LEU 80 4.336 2.268 -9.738 604 HD22 LEU 80 2HD2 LEU 80 4.181 0.795 -10.696 605 HD23 LEU 80 3HD2 LEU 80 4.805 0.714 -9.048 606 H ASN 81 H ASN 81 0.314 4.730 -7.659 607 HA ASN 81 HA ASN 81 0.992 6.823 -9.375 608 HB2 ASN 81 1HB ASN 81 -1.262 6.775 -8.828 609 HB3 ASN 81 2HB ASN 81 -0.948 6.527 -7.113 610 HD21 ASN 81 1HD2 ASN 81 -2.404 8.204 -6.632 611 HD22 ASN 81 2HD2 ASN 81 -1.954 9.862 -6.816 612 H LEU 82 H LEU 82 1.409 6.538 -5.861 613 HA LEU 82 HA LEU 82 2.595 9.108 -5.554 614 HB2 LEU 82 1HB LEU 82 2.784 6.702 -3.748 615 HB3 LEU 82 2HB LEU 82 3.162 8.366 -3.309 616 HG LEU 82 HG LEU 82 0.426 7.318 -4.032 617 HD11 LEU 82 1HD1 LEU 82 1.502 8.184 -1.355 618 HD12 LEU 82 2HD1 LEU 82 1.308 6.507 -1.863 619 HD13 LEU 82 3HD1 LEU 82 -0.106 7.548 -1.703 620 HD21 LEU 82 1HD2 LEU 82 0.250 9.521 -4.609 621 HD22 LEU 82 2HD2 LEU 82 1.518 10.031 -3.493 622 HD23 LEU 82 3HD2 LEU 82 -0.090 9.637 -2.882 623 H GLU 83 H GLU 83 3.807 5.925 -6.296 624 HA GLU 83 HA GLU 83 6.492 6.208 -5.641 625 HB2 GLU 83 1HB GLU 83 5.398 4.103 -6.409 626 HB3 GLU 83 2HB GLU 83 5.382 4.750 -8.044 627 HG2 GLU 83 1HG GLU 83 7.923 4.991 -7.748 628 HG3 GLU 83 2HG GLU 83 7.718 3.893 -6.384 629 H GLU 84 H GLU 84 4.983 6.790 -8.822 630 HA GLU 84 HA GLU 84 7.239 7.832 -10.083 631 HB2 GLU 84 1HB GLU 84 4.293 8.234 -10.544 632 HB3 GLU 84 2HB GLU 84 5.495 9.029 -11.550 633 HG2 GLU 84 1HG GLU 84 6.420 6.839 -12.154 634 HG3 GLU 84 2HG GLU 84 5.177 6.060 -11.177 635 H GLU 85 H GLU 85 4.484 9.696 -8.782 636 HA GLU 85 HA GLU 85 5.345 12.233 -9.078 637 HB2 GLU 85 1HB GLU 85 3.222 11.713 -8.023 638 HB3 GLU 85 2HB GLU 85 4.046 11.067 -6.611 639 HG2 GLU 85 1HG GLU 85 3.259 13.219 -6.034 640 HG3 GLU 85 2HG GLU 85 5.006 13.346 -6.237 641 H TYR 86 H TYR 86 6.211 10.180 -6.297 642 HA TYR 86 HA TYR 86 7.954 12.020 -5.088 643 HB2 TYR 86 1HB TYR 86 7.654 9.035 -4.916 644 HB3 TYR 86 2HB TYR 86 8.951 9.859 -4.058 645 HD1 TYR 86 2HD TYR 86 7.683 12.293 -3.098 646 HD2 TYR 86 1HD TYR 86 6.120 8.342 -3.323 647 HE1 TYR 86 2HE TYR 86 6.140 12.804 -1.252 648 HE2 TYR 86 1HE TYR 86 4.573 8.842 -1.478 649 HH TYR 86 HH TYR 86 4.900 11.298 0.581 650 H LEU 87 H LEU 87 8.710 9.188 -7.119 651 HA LEU 87 HA LEU 87 11.424 9.361 -7.260 652 HB2 LEU 87 1HB LEU 87 9.353 8.554 -9.248 653 HB3 LEU 87 2HB LEU 87 11.039 8.635 -9.752 654 HG LEU 87 HG LEU 87 10.163 6.999 -7.387 655 HD11 LEU 87 1HD1 LEU 87 8.911 6.345 -9.454 656 HD12 LEU 87 2HD1 LEU 87 9.945 5.084 -8.782 657 HD13 LEU 87 3HD1 LEU 87 10.466 5.985 -10.205 658 HD21 LEU 87 1HD2 LEU 87 12.277 6.245 -7.331 659 HD22 LEU 87 2HD2 LEU 87 12.640 7.719 -8.229 660 HD23 LEU 87 3HD2 LEU 87 12.416 6.195 -9.089 661 H ALA 88 H ALA 88 9.124 11.137 -9.311 662 HA ALA 88 HA ALA 88 10.666 12.458 -11.059 663 HB1 ALA 88 1HB ALA 88 8.749 13.524 -11.378 664 HB2 ALA 88 2HB ALA 88 8.159 12.964 -9.813 665 HB3 ALA 88 3HB ALA 88 9.046 14.484 -9.929 666 H ASP 89 H ASP 89 10.585 13.048 -7.601 667 HA ASP 89 HA ASP 89 12.593 15.170 -7.910 668 HB2 ASP 89 1HB ASP 89 10.606 15.758 -6.585 669 HB3 ASP 89 2HB ASP 89 10.935 14.415 -5.493 670 H SER 90 H SER 90 14.014 13.228 -8.477 671 HA SER 90 HA SER 90 15.308 12.303 -6.003 672 HB2 SER 90 1HB SER 90 15.748 10.125 -7.035 673 HB3 SER 90 2HB SER 90 14.014 10.439 -6.979 674 HG SER 90 HG SER 90 15.534 9.918 -9.102 675 H GLY 91 H GLY 91 16.954 13.800 -6.123 676 HA2 GLY 91 1HA GLY 91 18.654 13.675 -8.534 677 HA3 GLY 91 2HA GLY 91 18.539 15.072 -7.474 678 HA PRO 92 HA PRO 92 21.906 11.867 -6.198 679 HB2 PRO 92 1HB PRO 92 24.028 12.702 -7.671 680 HB3 PRO 92 2HB PRO 92 22.919 11.437 -8.215 681 HG2 PRO 92 1HG PRO 92 22.988 14.339 -8.948 682 HG3 PRO 92 2HG PRO 92 22.736 12.927 -9.991 683 HD2 PRO 92 1HD PRO 92 20.694 14.475 -9.118 684 HD3 PRO 92 2HD PRO 92 20.515 12.732 -9.406 685 H SER 93 H SER 93 21.849 12.980 -4.240 686 HA SER 93 HA SER 93 22.650 15.630 -3.829 687 HB2 SER 93 1HB SER 93 22.804 15.042 -1.460 688 HB3 SER 93 2HB SER 93 21.371 14.304 -2.177 689 HG SER 93 HG SER 93 23.755 12.839 -2.136 690 H SER 94 H SER 94 24.570 16.404 -2.691 691 HA SER 94 HA SER 94 26.936 15.769 -4.003 692 HB2 SER 94 1HB SER 94 26.424 17.885 -2.711 693 HB3 SER 94 2HB SER 94 26.787 16.984 -1.239 694 HG SER 94 HG SER 94 28.842 17.119 -1.673 695 H GLY 95 H GLY 95 25.871 14.811 -0.743 696 HA2 GLY 95 1HA GLY 95 27.361 12.340 -0.963 697 HA3 GLY 95 2HA GLY 95 27.992 13.459 0.237 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -26.910 12.037 -14.707 2 HA2 GLY 1 1HA GLY 1 -26.209 12.660 -12.218 3 HA3 GLY 1 2HA GLY 1 -27.950 12.880 -12.118 4 H SER 2 H SER 2 -25.494 10.498 -13.078 5 HA SER 2 HA SER 2 -27.375 8.324 -12.660 6 HB2 SER 2 1HB SER 2 -25.454 6.888 -13.381 7 HB3 SER 2 2HB SER 2 -25.899 8.120 -14.562 8 HG SER 2 HG SER 2 -23.833 8.549 -14.455 9 H SER 3 H SER 3 -27.687 7.485 -10.719 10 HA SER 3 HA SER 3 -25.506 7.630 -8.746 11 HB2 SER 3 1HB SER 3 -28.494 7.416 -8.305 12 HB3 SER 3 2HB SER 3 -27.281 7.433 -7.025 13 HG SER 3 HG SER 3 -27.227 9.509 -8.885 14 H GLY 4 H GLY 4 -25.682 5.823 -7.045 15 HA2 GLY 4 1HA GLY 4 -26.673 3.295 -8.079 16 HA3 GLY 4 2HA GLY 4 -24.924 3.429 -7.971 17 H SER 5 H SER 5 -25.163 1.586 -6.500 18 HA SER 5 HA SER 5 -25.759 2.507 -3.767 19 HB2 SER 5 1HB SER 5 -27.483 0.905 -4.682 20 HB3 SER 5 2HB SER 5 -26.212 -0.314 -4.760 21 HG SER 5 HG SER 5 -27.357 0.918 -2.498 22 H SER 6 H SER 6 -23.709 2.872 -3.081 23 HA SER 6 HA SER 6 -21.897 0.551 -3.071 24 HB2 SER 6 1HB SER 6 -19.986 2.072 -3.329 25 HB3 SER 6 2HB SER 6 -21.092 2.219 -4.695 26 HG SER 6 HG SER 6 -21.387 3.925 -2.485 27 H GLY 7 H GLY 7 -20.506 0.370 -1.256 28 HA2 GLY 7 1HA GLY 7 -20.651 2.233 0.920 29 HA3 GLY 7 2HA GLY 7 -21.612 0.792 1.215 30 H ARG 8 H ARG 8 -18.361 1.993 0.608 31 HA ARG 8 HA ARG 8 -16.752 -0.131 0.576 32 HB2 ARG 8 1HB ARG 8 -16.540 2.417 2.131 33 HB3 ARG 8 2HB ARG 8 -15.307 1.179 2.338 34 HG2 ARG 8 1HG ARG 8 -14.346 2.381 0.672 35 HG3 ARG 8 2HG ARG 8 -15.298 1.262 -0.306 36 HD2 ARG 8 1HD ARG 8 -16.946 2.872 -0.741 37 HD3 ARG 8 2HD ARG 8 -16.397 3.913 0.571 38 HE ARG 8 HE ARG 8 -15.417 3.870 -2.109 39 HH11 ARG 8 1HH1 ARG 8 -14.520 4.472 1.201 40 HH12 ARG 8 2HH1 ARG 8 -13.230 5.554 0.791 41 HH21 ARG 8 1HH2 ARG 8 -13.722 5.293 -2.661 42 HH22 ARG 8 2HH2 ARG 8 -12.778 6.021 -1.405 43 H ILE 9 H ILE 9 -15.921 -1.687 1.946 44 HA ILE 9 HA ILE 9 -16.957 -1.844 4.673 45 HB ILE 9 HB ILE 9 -17.371 -4.362 4.212 46 HG12 ILE 9 1HG1 ILE 9 -18.354 -4.610 1.844 47 HG13 ILE 9 2HG1 ILE 9 -17.422 -3.172 1.445 48 HG21 ILE 9 1HG2 ILE 9 -19.010 -2.083 4.226 49 HG22 ILE 9 2HG2 ILE 9 -19.607 -3.113 2.927 50 HG23 ILE 9 3HG2 ILE 9 -19.475 -3.749 4.566 51 HD11 ILE 9 1HD1 ILE 9 -15.593 -4.381 1.175 52 HD12 ILE 9 2HD1 ILE 9 -15.757 -5.076 2.788 53 HD13 ILE 9 3HD1 ILE 9 -16.569 -5.830 1.416 54 H VAL 10 H VAL 10 -16.044 -4.150 5.557 55 HA VAL 10 HA VAL 10 -13.147 -3.985 5.091 56 HB VAL 10 HB VAL 10 -14.685 -5.077 7.450 57 HG11 VAL 10 1HG1 VAL 10 -12.082 -4.879 8.248 58 HG12 VAL 10 2HG1 VAL 10 -12.879 -6.371 7.747 59 HG13 VAL 10 3HG1 VAL 10 -11.914 -5.455 6.589 60 HG21 VAL 10 1HG2 VAL 10 -12.729 -2.838 7.608 61 HG22 VAL 10 2HG2 VAL 10 -14.338 -2.512 6.964 62 HG23 VAL 10 3HG2 VAL 10 -14.155 -3.162 8.594 63 H GLY 11 H GLY 11 -15.833 -6.270 5.375 64 HA2 GLY 11 1HA GLY 11 -16.081 -8.293 4.251 65 HA3 GLY 11 2HA GLY 11 -14.437 -8.130 3.651 66 H GLU 12 H GLU 12 -14.393 -10.465 4.164 67 HA GLU 12 HA GLU 12 -13.982 -10.976 7.031 68 HB2 GLU 12 1HB GLU 12 -14.725 -12.766 4.731 69 HB3 GLU 12 2HB GLU 12 -14.072 -13.428 6.223 70 HG2 GLU 12 1HG GLU 12 -16.440 -11.600 6.256 71 HG3 GLU 12 2HG GLU 12 -16.618 -13.322 5.927 72 H LEU 13 H LEU 13 -12.085 -11.850 7.780 73 HA LEU 13 HA LEU 13 -9.698 -11.190 6.604 74 HB2 LEU 13 1HB LEU 13 -10.438 -13.273 8.619 75 HB3 LEU 13 2HB LEU 13 -8.774 -13.133 8.056 76 HG LEU 13 HG LEU 13 -8.985 -10.658 8.779 77 HD11 LEU 13 1HD1 LEU 13 -11.169 -10.258 9.306 78 HD12 LEU 13 2HD1 LEU 13 -10.553 -10.702 10.897 79 HD13 LEU 13 3HD1 LEU 13 -11.435 -11.885 9.931 80 HD21 LEU 13 1HD2 LEU 13 -8.961 -11.995 11.290 81 HD22 LEU 13 2HD2 LEU 13 -7.600 -11.386 10.349 82 HD23 LEU 13 3HD2 LEU 13 -8.183 -13.032 10.095 83 H GLU 14 H GLU 14 -10.854 -14.559 6.821 84 HA GLU 14 HA GLU 14 -9.091 -15.787 5.168 85 HB2 GLU 14 1HB GLU 14 -12.016 -16.253 5.630 86 HB3 GLU 14 2HB GLU 14 -11.147 -17.236 4.459 87 HG2 GLU 14 1HG GLU 14 -9.539 -17.843 6.253 88 HG3 GLU 14 2HG GLU 14 -10.563 -16.979 7.398 89 H GLN 15 H GLN 15 -12.024 -14.072 4.142 90 HA GLN 15 HA GLN 15 -11.865 -14.590 1.410 91 HB2 GLN 15 1HB GLN 15 -13.029 -12.321 2.996 92 HB3 GLN 15 2HB GLN 15 -13.072 -12.303 1.238 93 HG2 GLN 15 1HG GLN 15 -14.127 -14.624 2.811 94 HG3 GLN 15 2HG GLN 15 -15.111 -13.200 2.479 95 HE21 GLN 15 1HE2 GLN 15 -14.810 -12.521 0.031 96 HE22 GLN 15 2HE2 GLN 15 -15.095 -13.807 -1.087 97 H MET 16 H MET 16 -10.256 -12.147 3.368 98 HA MET 16 HA MET 16 -9.263 -10.469 1.414 99 HB2 MET 16 1HB MET 16 -7.819 -11.381 3.909 100 HB3 MET 16 2HB MET 16 -7.459 -9.932 2.980 101 HG2 MET 16 1HG MET 16 -9.870 -9.241 3.472 102 HG3 MET 16 2HG MET 16 -9.845 -10.514 4.691 103 HE1 MET 16 1HE MET 16 -10.375 -7.386 4.859 104 HE2 MET 16 2HE MET 16 -10.439 -8.151 6.447 105 HE3 MET 16 3HE MET 16 -9.426 -6.729 6.193 106 H VAL 17 H VAL 17 -7.293 -10.370 0.267 107 HA VAL 17 HA VAL 17 -5.876 -12.935 -0.024 108 HB VAL 17 HB VAL 17 -5.663 -12.501 -2.448 109 HG11 VAL 17 1HG1 VAL 17 -8.566 -12.533 -1.659 110 HG12 VAL 17 2HG1 VAL 17 -7.804 -13.308 -3.049 111 HG13 VAL 17 3HG1 VAL 17 -7.493 -13.911 -1.421 112 HG21 VAL 17 1HG2 VAL 17 -7.875 -10.526 -2.366 113 HG22 VAL 17 2HG2 VAL 17 -6.257 -9.956 -1.957 114 HG23 VAL 17 3HG2 VAL 17 -6.558 -10.705 -3.525 115 H SER 18 H SER 18 -3.683 -12.824 -0.414 116 HA SER 18 HA SER 18 -2.462 -10.229 0.153 117 HB2 SER 18 1HB SER 18 -0.527 -11.411 0.840 118 HB3 SER 18 2HB SER 18 -1.883 -12.362 1.445 119 HG SER 18 HG SER 18 -0.382 -13.713 0.438 120 H GLU 19 H GLU 19 -1.425 -9.073 -1.338 121 HA GLU 19 HA GLU 19 -0.659 -10.400 -3.854 122 HB2 GLU 19 1HB GLU 19 -2.199 -7.891 -3.392 123 HB3 GLU 19 2HB GLU 19 -1.097 -7.940 -4.760 124 HG2 GLU 19 1HG GLU 19 -3.520 -9.622 -4.247 125 HG3 GLU 19 2HG GLU 19 -3.164 -8.584 -5.627 126 H ASP 20 H ASP 20 1.059 -9.282 -5.054 127 HA ASP 20 HA ASP 20 2.939 -7.950 -3.217 128 HB2 ASP 20 1HB ASP 20 4.657 -8.834 -4.977 129 HB3 ASP 20 2HB ASP 20 4.013 -9.934 -3.762 130 H VAL 21 H VAL 21 3.110 -5.853 -3.616 131 HA VAL 21 HA VAL 21 2.835 -4.912 -6.394 132 HB VAL 21 HB VAL 21 2.648 -3.083 -4.028 133 HG11 VAL 21 1HG1 VAL 21 0.815 -2.303 -5.894 134 HG12 VAL 21 2HG1 VAL 21 2.465 -1.689 -5.775 135 HG13 VAL 21 3HG1 VAL 21 2.087 -2.995 -6.899 136 HG21 VAL 21 1HG2 VAL 21 1.122 -4.979 -3.594 137 HG22 VAL 21 2HG2 VAL 21 0.267 -3.460 -3.863 138 HG23 VAL 21 3HG2 VAL 21 0.338 -4.670 -5.143 139 HA PRO 22 HA PRO 22 7.197 -4.044 -6.124 140 HB2 PRO 22 1HB PRO 22 7.412 -2.943 -8.596 141 HB3 PRO 22 2HB PRO 22 7.303 -4.687 -8.327 142 HG2 PRO 22 1HG PRO 22 5.160 -2.756 -9.129 143 HG3 PRO 22 2HG PRO 22 5.492 -4.382 -9.753 144 HD2 PRO 22 1HD PRO 22 3.532 -3.885 -7.952 145 HD3 PRO 22 2HD PRO 22 4.434 -5.414 -7.984 146 H LEU 23 H LEU 23 7.454 -2.418 -4.649 147 HA LEU 23 HA LEU 23 6.904 0.322 -5.586 148 HB2 LEU 23 1HB LEU 23 5.531 -0.431 -3.653 149 HB3 LEU 23 2HB LEU 23 7.018 -0.637 -2.731 150 HG LEU 23 HG LEU 23 7.431 1.837 -3.108 151 HD11 LEU 23 1HD1 LEU 23 4.748 2.646 -3.354 152 HD12 LEU 23 2HD1 LEU 23 5.060 1.515 -4.670 153 HD13 LEU 23 3HD1 LEU 23 6.080 2.941 -4.472 154 HD21 LEU 23 1HD2 LEU 23 6.567 2.197 -1.073 155 HD22 LEU 23 2HD2 LEU 23 6.114 0.493 -1.135 156 HD23 LEU 23 3HD2 LEU 23 4.940 1.735 -1.574 157 H ASP 24 H ASP 24 8.636 1.538 -5.917 158 HA ASP 24 HA ASP 24 11.260 0.659 -5.502 159 HB2 ASP 24 1HB ASP 24 10.417 2.461 -7.113 160 HB3 ASP 24 2HB ASP 24 10.478 3.561 -5.739 161 H HIS 25 H HIS 25 12.552 0.665 -3.784 162 HA HIS 25 HA HIS 25 11.668 1.351 -1.221 163 HB2 HIS 25 1HB HIS 25 13.391 -0.233 -1.291 164 HB3 HIS 25 2HB HIS 25 14.375 0.745 -2.376 165 HD1 HIS 25 1HD HIS 25 16.439 0.800 -0.897 166 HD2 HIS 25 2HD HIS 25 13.019 2.186 1.011 167 HE1 HIS 25 1HE HIS 25 17.241 1.840 1.248 168 H ARG 26 H ARG 26 13.154 3.254 -3.692 169 HA ARG 26 HA ARG 26 14.258 5.311 -2.126 170 HB2 ARG 26 1HB ARG 26 13.191 5.278 -4.947 171 HB3 ARG 26 2HB ARG 26 13.945 6.697 -4.233 172 HG2 ARG 26 1HG ARG 26 15.388 4.083 -4.229 173 HG3 ARG 26 2HG ARG 26 15.353 5.079 -5.686 174 HD2 ARG 26 1HD ARG 26 17.245 5.897 -4.703 175 HD3 ARG 26 2HD ARG 26 16.047 6.974 -3.987 176 HE ARG 26 HE ARG 26 16.408 5.982 -1.940 177 HH11 ARG 26 1HH1 ARG 26 17.971 4.138 -4.445 178 HH12 ARG 26 2HH1 ARG 26 18.860 3.144 -3.339 179 HH21 ARG 26 1HH2 ARG 26 17.573 4.680 -0.474 180 HH22 ARG 26 2HH2 ARG 26 18.632 3.453 -1.080 181 H VAL 27 H VAL 27 11.016 4.467 -2.764 182 HA VAL 27 HA VAL 27 10.099 7.083 -1.758 183 HB VAL 27 HB VAL 27 7.995 6.746 -2.890 184 HG11 VAL 27 1HG1 VAL 27 8.702 6.959 -5.172 185 HG12 VAL 27 2HG1 VAL 27 9.913 7.726 -4.141 186 HG13 VAL 27 3HG1 VAL 27 10.220 6.130 -4.828 187 HG21 VAL 27 1HG2 VAL 27 9.025 4.238 -4.166 188 HG22 VAL 27 2HG2 VAL 27 8.175 4.185 -2.621 189 HG23 VAL 27 3HG2 VAL 27 7.367 4.828 -4.051 190 H HIS 28 H HIS 28 10.310 3.748 -1.152 191 HA HIS 28 HA HIS 28 8.120 2.969 0.214 192 HB2 HIS 28 1HB HIS 28 11.027 2.506 0.651 193 HB3 HIS 28 2HB HIS 28 9.927 2.000 1.930 194 HD2 HIS 28 2HD HIS 28 8.945 1.534 -1.831 195 HE1 HIS 28 1HE HIS 28 9.631 -2.282 -0.109 196 HE2 HIS 28 2HE HIS 28 8.909 -1.030 -2.171 197 H ALA 29 H ALA 29 10.831 4.406 2.026 198 HA ALA 29 HA ALA 29 9.417 4.961 4.344 199 HB1 ALA 29 1HB ALA 29 11.469 6.948 3.760 200 HB2 ALA 29 2HB ALA 29 11.364 5.777 5.075 201 HB3 ALA 29 3HB ALA 29 12.009 5.288 3.508 202 H ARG 30 H ARG 30 10.082 7.136 1.604 203 HA ARG 30 HA ARG 30 8.941 9.455 2.482 204 HB2 ARG 30 1HB ARG 30 8.756 8.256 -0.287 205 HB3 ARG 30 2HB ARG 30 8.387 9.931 0.101 206 HG2 ARG 30 1HG ARG 30 10.715 10.209 0.900 207 HG3 ARG 30 2HG ARG 30 11.056 8.564 0.360 208 HD2 ARG 30 1HD ARG 30 11.768 9.828 -1.440 209 HD3 ARG 30 2HD ARG 30 10.128 9.389 -1.916 210 HE ARG 30 HE ARG 30 9.504 11.597 -1.728 211 HH11 ARG 30 1HH1 ARG 30 12.675 11.141 -0.363 212 HH12 ARG 30 2HH1 ARG 30 12.996 12.837 -0.212 213 HH21 ARG 30 1HH2 ARG 30 9.915 13.832 -1.533 214 HH22 ARG 30 2HH2 ARG 30 11.425 14.367 -0.876 215 H ILE 31 H ILE 31 7.310 6.549 1.402 216 HA ILE 31 HA ILE 31 4.697 7.811 1.490 217 HB ILE 31 HB ILE 31 5.455 4.928 1.009 218 HG12 ILE 31 1HG1 ILE 31 4.462 6.962 -0.988 219 HG13 ILE 31 2HG1 ILE 31 6.174 6.666 -0.703 220 HG21 ILE 31 1HG2 ILE 31 2.847 5.870 0.084 221 HG22 ILE 31 2HG2 ILE 31 3.288 4.377 0.911 222 HG23 ILE 31 3HG2 ILE 31 3.024 5.853 1.839 223 HD11 ILE 31 1HD1 ILE 31 5.478 5.435 -2.628 224 HD12 ILE 31 2HD1 ILE 31 5.806 4.296 -1.323 225 HD13 ILE 31 3HD1 ILE 31 4.142 4.706 -1.738 226 H ILE 32 H ILE 32 6.469 5.296 3.263 227 HA ILE 32 HA ILE 32 4.577 4.475 5.062 228 HB ILE 32 HB ILE 32 7.488 5.000 5.673 229 HG12 ILE 32 1HG1 ILE 32 6.350 2.308 5.040 230 HG13 ILE 32 2HG1 ILE 32 6.695 3.416 3.716 231 HG21 ILE 32 1HG2 ILE 32 5.619 4.514 7.522 232 HG22 ILE 32 2HG2 ILE 32 5.979 2.857 7.040 233 HG23 ILE 32 3HG2 ILE 32 7.268 3.900 7.641 234 HD11 ILE 32 1HD1 ILE 32 8.462 1.665 4.897 235 HD12 ILE 32 2HD1 ILE 32 8.872 3.011 3.835 236 HD13 ILE 32 3HD1 ILE 32 8.899 3.229 5.584 237 H GLY 33 H GLY 33 6.750 7.276 5.434 238 HA2 GLY 33 1HA GLY 33 6.118 9.341 6.385 239 HA3 GLY 33 2HA GLY 33 4.723 8.554 7.108 240 H ALA 34 H ALA 34 6.472 10.312 8.472 241 HA ALA 34 HA ALA 34 8.459 9.033 9.975 242 HB1 ALA 34 1HB ALA 34 8.562 10.954 11.244 243 HB2 ALA 34 2HB ALA 34 7.834 11.554 9.753 244 HB3 ALA 34 3HB ALA 34 6.822 11.231 11.160 245 H ARG 35 H ARG 35 5.093 9.770 10.909 246 HA ARG 35 HA ARG 35 5.317 7.849 13.103 247 HB2 ARG 35 1HB ARG 35 3.417 10.076 12.454 248 HB3 ARG 35 2HB ARG 35 2.930 8.806 13.569 249 HG2 ARG 35 1HG ARG 35 4.520 9.404 15.147 250 HG3 ARG 35 2HG ARG 35 5.503 10.274 13.968 251 HD2 ARG 35 1HD ARG 35 3.349 11.769 13.767 252 HD3 ARG 35 2HD ARG 35 3.017 11.124 15.374 253 HE ARG 35 HE ARG 35 5.103 12.989 14.637 254 HH11 ARG 35 1HH1 ARG 35 3.896 10.755 17.020 255 HH12 ARG 35 2HH1 ARG 35 4.784 11.466 18.326 256 HH21 ARG 35 1HH2 ARG 35 6.277 13.934 16.349 257 HH22 ARG 35 2HH2 ARG 35 6.137 13.275 17.944 258 H GLY 36 H GLY 36 5.019 7.203 10.158 259 HA2 GLY 36 1HA GLY 36 3.935 5.632 8.882 260 HA3 GLY 36 2HA GLY 36 3.428 4.920 10.407 261 H LYS 37 H LYS 37 2.570 8.175 9.462 262 HA LYS 37 HA LYS 37 -0.240 7.458 9.612 263 HB2 LYS 37 1HB LYS 37 1.122 10.136 9.270 264 HB3 LYS 37 2HB LYS 37 -0.614 9.910 9.446 265 HG2 LYS 37 1HG LYS 37 -0.035 8.737 11.653 266 HG3 LYS 37 2HG LYS 37 1.550 9.491 11.472 267 HD2 LYS 37 1HD LYS 37 0.722 11.615 11.763 268 HD3 LYS 37 2HD LYS 37 -0.887 11.183 11.179 269 HE2 LYS 37 1HE LYS 37 -0.987 11.603 13.549 270 HE3 LYS 37 2HE LYS 37 -1.248 9.885 13.252 271 HZ1 LYS 37 1HZ LYS 37 0.316 9.608 14.801 272 HZ2 LYS 37 2HZ LYS 37 0.878 11.198 14.682 273 HZ3 LYS 37 3HZ LYS 37 1.423 10.026 13.592 274 H ALA 38 H ALA 38 2.020 8.850 7.262 275 HA ALA 38 HA ALA 38 0.318 9.416 5.178 276 HB1 ALA 38 1HB ALA 38 2.469 10.078 4.753 277 HB2 ALA 38 2HB ALA 38 3.165 8.558 5.317 278 HB3 ALA 38 3HB ALA 38 2.375 8.635 3.742 279 H ILE 39 H ILE 39 1.546 6.290 6.209 280 HA ILE 39 HA ILE 39 0.319 4.939 3.943 281 HB ILE 39 HB ILE 39 2.548 4.239 4.895 282 HG12 ILE 39 1HG1 ILE 39 1.832 1.731 4.929 283 HG13 ILE 39 2HG1 ILE 39 0.235 2.358 4.538 284 HG21 ILE 39 1HG2 ILE 39 2.727 3.134 6.933 285 HG22 ILE 39 2HG2 ILE 39 1.633 4.469 7.291 286 HG23 ILE 39 3HG2 ILE 39 0.990 2.847 7.040 287 HD11 ILE 39 1HD1 ILE 39 1.746 1.611 2.621 288 HD12 ILE 39 2HD1 ILE 39 0.932 3.169 2.472 289 HD13 ILE 39 3HD1 ILE 39 2.637 3.103 2.917 290 H ARG 40 H ARG 40 -0.380 5.705 7.230 291 HA ARG 40 HA ARG 40 -2.207 3.639 7.820 292 HB2 ARG 40 1HB ARG 40 -1.127 5.365 9.402 293 HB3 ARG 40 2HB ARG 40 -2.433 6.434 8.908 294 HG2 ARG 40 1HG ARG 40 -3.136 5.441 10.916 295 HG3 ARG 40 2HG ARG 40 -4.026 4.613 9.637 296 HD2 ARG 40 1HD ARG 40 -2.607 2.712 9.765 297 HD3 ARG 40 2HD ARG 40 -1.457 3.561 10.798 298 HE ARG 40 HE ARG 40 -4.111 3.298 11.903 299 HH11 ARG 40 1HH1 ARG 40 -0.941 1.889 11.609 300 HH12 ARG 40 2HH1 ARG 40 -1.089 0.935 13.048 301 HH21 ARG 40 1HH2 ARG 40 -4.318 2.048 13.800 302 HH22 ARG 40 2HH2 ARG 40 -3.010 1.025 14.293 303 H LYS 41 H LYS 41 -2.609 6.822 6.339 304 HA LYS 41 HA LYS 41 -5.430 6.782 6.216 305 HB2 LYS 41 1HB LYS 41 -5.232 8.629 4.683 306 HB3 LYS 41 2HB LYS 41 -4.022 8.819 5.946 307 HG2 LYS 41 1HG LYS 41 -2.278 8.106 4.486 308 HG3 LYS 41 2HG LYS 41 -3.439 7.631 3.244 309 HD2 LYS 41 1HD LYS 41 -4.027 9.886 2.806 310 HD3 LYS 41 2HD LYS 41 -3.188 10.458 4.250 311 HE2 LYS 41 1HE LYS 41 -1.658 10.990 2.624 312 HE3 LYS 41 2HE LYS 41 -1.101 9.382 3.085 313 HZ1 LYS 41 1HZ LYS 41 -2.181 8.444 1.194 314 HZ2 LYS 41 2HZ LYS 41 -1.242 9.744 0.655 315 HZ3 LYS 41 3HZ LYS 41 -2.919 9.915 0.800 316 H ILE 42 H ILE 42 -2.927 5.546 4.089 317 HA ILE 42 HA ILE 42 -4.621 4.990 1.877 318 HB ILE 42 HB ILE 42 -1.989 3.705 2.615 319 HG12 ILE 42 1HG1 ILE 42 -2.604 6.046 0.797 320 HG13 ILE 42 2HG1 ILE 42 -1.820 6.144 2.370 321 HG21 ILE 42 1HG2 ILE 42 -1.866 2.860 0.435 322 HG22 ILE 42 2HG2 ILE 42 -3.521 2.528 0.944 323 HG23 ILE 42 3HG2 ILE 42 -3.185 3.885 -0.131 324 HD11 ILE 42 1HD1 ILE 42 -0.393 4.290 0.753 325 HD12 ILE 42 2HD1 ILE 42 -0.634 5.782 -0.155 326 HD13 ILE 42 3HD1 ILE 42 0.148 5.828 1.425 327 H MET 43 H MET 43 -3.392 2.997 4.549 328 HA MET 43 HA MET 43 -4.523 0.566 3.755 329 HB2 MET 43 1HB MET 43 -3.704 1.686 6.417 330 HB3 MET 43 2HB MET 43 -4.474 0.109 6.311 331 HG2 MET 43 1HG MET 43 -2.672 -0.511 4.652 332 HG3 MET 43 2HG MET 43 -1.855 0.975 5.132 333 HE1 MET 43 1HE MET 43 0.388 -0.201 7.650 334 HE2 MET 43 2HE MET 43 -0.050 0.836 6.292 335 HE3 MET 43 3HE MET 43 -0.693 1.170 7.901 336 H ASP 44 H ASP 44 -5.806 3.071 5.929 337 HA ASP 44 HA ASP 44 -8.254 1.755 6.451 338 HB2 ASP 44 1HB ASP 44 -7.410 4.643 6.681 339 HB3 ASP 44 2HB ASP 44 -9.010 4.079 7.155 340 H GLU 45 H GLU 45 -7.205 3.974 3.946 341 HA GLU 45 HA GLU 45 -9.659 4.748 2.898 342 HB2 GLU 45 1HB GLU 45 -7.484 5.687 2.197 343 HB3 GLU 45 2HB GLU 45 -7.112 4.180 1.371 344 HG2 GLU 45 1HG GLU 45 -8.926 4.519 -0.171 345 HG3 GLU 45 2HG GLU 45 -9.448 5.956 0.707 346 H PHE 46 H PHE 46 -7.609 2.047 1.787 347 HA PHE 46 HA PHE 46 -9.946 0.893 0.448 348 HB2 PHE 46 1HB PHE 46 -7.068 -0.002 0.243 349 HB3 PHE 46 2HB PHE 46 -8.403 -0.455 -0.811 350 HD1 PHE 46 2HD PHE 46 -9.293 1.131 -2.441 351 HD2 PHE 46 1HD PHE 46 -5.940 2.094 -0.001 352 HE1 PHE 46 2HE PHE 46 -8.750 3.009 -3.935 353 HE2 PHE 46 1HE PHE 46 -5.392 3.974 -1.491 354 HZ PHE 46 HZ PHE 46 -6.797 4.433 -3.462 355 H LYS 47 H LYS 47 -8.971 0.812 3.423 356 HA LYS 47 HA LYS 47 -8.905 -0.682 5.150 357 HB2 LYS 47 1HB LYS 47 -10.903 -2.128 3.400 358 HB3 LYS 47 2HB LYS 47 -10.704 -2.339 5.135 359 HG2 LYS 47 1HG LYS 47 -11.366 0.342 3.980 360 HG3 LYS 47 2HG LYS 47 -12.623 -0.861 4.279 361 HD2 LYS 47 1HD LYS 47 -12.026 -0.955 6.622 362 HD3 LYS 47 2HD LYS 47 -10.674 0.148 6.351 363 HE2 LYS 47 1HE LYS 47 -12.580 1.698 5.394 364 HE3 LYS 47 2HE LYS 47 -13.601 0.699 6.427 365 HZ1 LYS 47 1HZ LYS 47 -12.972 1.942 8.129 366 HZ2 LYS 47 2HZ LYS 47 -11.907 2.827 7.158 367 HZ3 LYS 47 3HZ LYS 47 -11.377 1.417 7.928 368 H VAL 48 H VAL 48 -6.742 -1.070 3.569 369 HA VAL 48 HA VAL 48 -6.497 -4.007 3.452 370 HB VAL 48 HB VAL 48 -4.759 -3.712 1.732 371 HG11 VAL 48 1HG1 VAL 48 -7.579 -3.146 1.415 372 HG12 VAL 48 2HG1 VAL 48 -6.615 -2.402 0.138 373 HG13 VAL 48 3HG1 VAL 48 -6.511 -4.139 0.425 374 HG21 VAL 48 1HG2 VAL 48 -4.021 -1.708 0.958 375 HG22 VAL 48 2HG2 VAL 48 -5.568 -0.906 1.231 376 HG23 VAL 48 3HG2 VAL 48 -4.478 -1.201 2.585 377 H ASP 49 H ASP 49 -4.213 -4.771 3.736 378 HA ASP 49 HA ASP 49 -2.859 -3.145 5.787 379 HB2 ASP 49 1HB ASP 49 -2.929 -6.159 5.519 380 HB3 ASP 49 2HB ASP 49 -2.058 -5.261 6.759 381 H ILE 50 H ILE 50 -1.301 -2.122 4.636 382 HA ILE 50 HA ILE 50 0.242 -3.512 2.627 383 HB ILE 50 HB ILE 50 0.732 -0.756 3.756 384 HG12 ILE 50 1HG1 ILE 50 -0.787 -1.404 1.232 385 HG13 ILE 50 2HG1 ILE 50 -1.594 -1.177 2.780 386 HG21 ILE 50 1HG2 ILE 50 1.599 -0.601 1.253 387 HG22 ILE 50 2HG2 ILE 50 2.626 -1.174 2.566 388 HG23 ILE 50 3HG2 ILE 50 1.834 -2.332 1.497 389 HD11 ILE 50 1HD1 ILE 50 0.078 0.851 1.317 390 HD12 ILE 50 2HD1 ILE 50 -1.677 0.856 1.500 391 HD13 ILE 50 3HD1 ILE 50 -0.643 1.086 2.909 392 H ARG 51 H ARG 51 1.760 -4.900 3.252 393 HA ARG 51 HA ARG 51 3.327 -4.309 5.665 394 HB2 ARG 51 1HB ARG 51 2.061 -6.543 5.290 395 HB3 ARG 51 2HB ARG 51 3.382 -6.926 4.194 396 HG2 ARG 51 1HG ARG 51 4.020 -7.892 6.208 397 HG3 ARG 51 2HG ARG 51 4.923 -6.376 6.163 398 HD2 ARG 51 1HD ARG 51 3.219 -5.333 7.587 399 HD3 ARG 51 2HD ARG 51 2.338 -6.858 7.640 400 HE ARG 51 HE ARG 51 4.771 -7.555 8.557 401 HH11 ARG 51 1HH1 ARG 51 2.579 -4.987 9.404 402 HH12 ARG 51 2HH1 ARG 51 3.090 -4.920 11.058 403 HH21 ARG 51 1HH2 ARG 51 5.452 -7.477 10.732 404 HH22 ARG 51 2HH2 ARG 51 4.724 -6.337 11.812 405 H PHE 52 H PHE 52 5.080 -3.148 5.165 406 HA PHE 52 HA PHE 52 6.420 -3.367 2.643 407 HB2 PHE 52 1HB PHE 52 7.031 -1.871 5.189 408 HB3 PHE 52 2HB PHE 52 8.114 -1.843 3.801 409 HD1 PHE 52 2HD PHE 52 4.760 -0.915 5.004 410 HD2 PHE 52 1HD PHE 52 7.633 -0.532 1.887 411 HE1 PHE 52 2HE PHE 52 3.442 0.914 4.018 412 HE2 PHE 52 1HE PHE 52 6.321 1.298 0.897 413 HZ PHE 52 HZ PHE 52 4.221 2.023 1.962 414 HA PRO 53 HA PRO 53 9.362 -6.509 3.496 415 HB2 PRO 53 1HB PRO 53 11.500 -5.627 2.073 416 HB3 PRO 53 2HB PRO 53 10.048 -6.291 1.314 417 HG2 PRO 53 1HG PRO 53 10.839 -3.431 1.711 418 HG3 PRO 53 2HG PRO 53 10.127 -4.208 0.284 419 HD2 PRO 53 1HD PRO 53 8.662 -2.746 2.030 420 HD3 PRO 53 2HD PRO 53 7.994 -4.139 1.155 421 H GLN 54 H GLN 54 10.403 -6.833 5.351 422 HA GLN 54 HA GLN 54 11.593 -4.698 6.831 423 HB2 GLN 54 1HB GLN 54 11.298 -7.651 7.235 424 HB3 GLN 54 2HB GLN 54 12.398 -6.739 8.261 425 HG2 GLN 54 1HG GLN 54 10.662 -5.442 9.157 426 HG3 GLN 54 2HG GLN 54 9.532 -5.937 7.897 427 HE21 GLN 54 1HE2 GLN 54 8.929 -6.090 10.598 428 HE22 GLN 54 2HE2 GLN 54 8.784 -7.752 11.047 429 H SER 55 H SER 55 13.855 -5.167 7.845 430 HA SER 55 HA SER 55 15.790 -4.763 5.922 431 HB2 SER 55 1HB SER 55 17.442 -5.331 7.710 432 HB3 SER 55 2HB SER 55 16.199 -4.198 8.240 433 HG SER 55 HG SER 55 15.360 -5.687 9.523 434 H GLY 56 H GLY 56 14.815 -7.799 7.464 435 HA2 GLY 56 1HA GLY 56 16.677 -9.273 5.744 436 HA3 GLY 56 2HA GLY 56 15.810 -9.928 7.126 437 H ALA 57 H ALA 57 14.562 -8.100 4.355 438 HA ALA 57 HA ALA 57 12.683 -10.295 3.857 439 HB1 ALA 57 1HB ALA 57 12.626 -7.448 2.862 440 HB2 ALA 57 2HB ALA 57 11.375 -8.664 2.601 441 HB3 ALA 57 3HB ALA 57 11.713 -8.082 4.231 442 HA PRO 58 HA PRO 58 14.686 -11.521 0.140 443 HB2 PRO 58 1HB PRO 58 12.562 -12.506 -1.235 444 HB3 PRO 58 2HB PRO 58 13.281 -13.339 0.148 445 HG2 PRO 58 1HG PRO 58 10.836 -11.615 0.037 446 HG3 PRO 58 2HG PRO 58 11.083 -13.153 0.884 447 HD2 PRO 58 1HD PRO 58 11.194 -10.760 2.146 448 HD3 PRO 58 2HD PRO 58 12.178 -12.150 2.647 449 H ASP 59 H ASP 59 11.892 -9.402 -0.020 450 HA ASP 59 HA ASP 59 13.001 -8.222 -2.477 451 HB2 ASP 59 1HB ASP 59 10.106 -8.826 -1.864 452 HB3 ASP 59 2HB ASP 59 10.610 -7.731 -3.149 453 HA PRO 60 HA PRO 60 12.744 -4.913 0.668 454 HB2 PRO 60 1HB PRO 60 14.855 -3.525 -0.326 455 HB3 PRO 60 2HB PRO 60 15.039 -4.890 0.782 456 HG2 PRO 60 1HG PRO 60 15.317 -4.819 -2.198 457 HG3 PRO 60 2HG PRO 60 16.336 -5.636 -0.999 458 HD2 PRO 60 1HD PRO 60 14.462 -6.943 -2.451 459 HD3 PRO 60 2HD PRO 60 14.885 -7.415 -0.793 460 H ASN 61 H ASN 61 12.160 -5.137 -2.617 461 HA ASN 61 HA ASN 61 11.318 -2.316 -2.750 462 HB2 ASN 61 1HB ASN 61 11.465 -2.820 -5.328 463 HB3 ASN 61 2HB ASN 61 12.915 -2.401 -4.421 464 HD21 ASN 61 1HD2 ASN 61 14.550 -3.546 -5.140 465 HD22 ASN 61 2HD2 ASN 61 14.526 -5.232 -5.518 466 H CYS 62 H CYS 62 10.083 -5.158 -2.118 467 HA CYS 62 HA CYS 62 7.642 -4.694 -3.701 468 HB2 CYS 62 1HB CYS 62 9.012 -6.813 -4.224 469 HB3 CYS 62 2HB CYS 62 8.451 -7.402 -2.664 470 HG CYS 62 HG CYS 62 5.818 -7.565 -3.299 471 H VAL 63 H VAL 63 5.739 -4.618 -2.623 472 HA VAL 63 HA VAL 63 5.856 -4.988 0.300 473 HB VAL 63 HB VAL 63 4.199 -3.294 0.567 474 HG11 VAL 63 1HG1 VAL 63 5.385 -1.443 -1.018 475 HG12 VAL 63 2HG1 VAL 63 6.055 -2.023 0.508 476 HG13 VAL 63 3HG1 VAL 63 6.605 -2.716 -1.018 477 HG21 VAL 63 1HG2 VAL 63 3.673 -2.096 -1.823 478 HG22 VAL 63 2HG2 VAL 63 3.721 -3.798 -2.281 479 HG23 VAL 63 3HG2 VAL 63 2.612 -3.255 -1.022 480 H THR 64 H THR 64 4.265 -6.139 1.320 481 HA THR 64 HA THR 64 2.534 -7.734 -0.428 482 HB THR 64 HB THR 64 3.255 -8.180 2.475 483 HG1 THR 64 1HG THR 64 4.726 -9.626 1.714 484 HG21 THR 64 1HG2 THR 64 2.031 -10.198 0.621 485 HG22 THR 64 2HG2 THR 64 1.023 -9.083 1.544 486 HG23 THR 64 3HG2 THR 64 2.094 -10.204 2.383 487 H VAL 65 H VAL 65 0.687 -6.612 -0.763 488 HA VAL 65 HA VAL 65 -0.641 -5.311 1.491 489 HB VAL 65 HB VAL 65 -1.364 -5.326 -1.443 490 HG11 VAL 65 1HG1 VAL 65 -2.873 -4.582 0.865 491 HG12 VAL 65 2HG1 VAL 65 -2.512 -3.138 -0.083 492 HG13 VAL 65 3HG1 VAL 65 -3.335 -4.505 -0.835 493 HG21 VAL 65 1HG2 VAL 65 0.078 -3.322 0.280 494 HG22 VAL 65 2HG2 VAL 65 0.670 -4.129 -1.172 495 HG23 VAL 65 3HG2 VAL 65 -0.613 -2.926 -1.294 496 H THR 66 H THR 66 -2.345 -6.144 2.514 497 HA THR 66 HA THR 66 -3.530 -8.611 1.434 498 HB THR 66 HB THR 66 -3.798 -7.664 4.281 499 HG1 THR 66 1HG THR 66 -2.009 -9.170 4.658 500 HG21 THR 66 1HG2 THR 66 -4.014 -10.370 2.957 501 HG22 THR 66 2HG2 THR 66 -5.340 -9.407 3.606 502 HG23 THR 66 3HG2 THR 66 -4.127 -10.083 4.692 503 H GLY 67 H GLY 67 -5.832 -8.953 1.744 504 HA2 GLY 67 1HA GLY 67 -7.911 -7.733 2.567 505 HA3 GLY 67 2HA GLY 67 -7.315 -6.408 1.578 506 H LEU 68 H LEU 68 -9.816 -7.320 1.111 507 HA LEU 68 HA LEU 68 -10.249 -9.410 -0.609 508 HB2 LEU 68 1HB LEU 68 -11.497 -6.682 -0.481 509 HB3 LEU 68 2HB LEU 68 -12.058 -7.910 -1.613 510 HG LEU 68 HG LEU 68 -13.483 -7.830 0.350 511 HD11 LEU 68 1HD1 LEU 68 -11.792 -10.322 0.399 512 HD12 LEU 68 2HD1 LEU 68 -13.047 -9.987 -0.793 513 HD13 LEU 68 3HD1 LEU 68 -13.472 -10.162 0.909 514 HD21 LEU 68 1HD2 LEU 68 -11.024 -8.564 1.935 515 HD22 LEU 68 2HD2 LEU 68 -12.662 -8.365 2.558 516 HD23 LEU 68 3HD2 LEU 68 -11.784 -6.972 1.923 517 HA PRO 69 HA PRO 69 -8.165 -8.561 -4.381 518 HB2 PRO 69 1HB PRO 69 -9.834 -9.759 -6.156 519 HB3 PRO 69 2HB PRO 69 -8.793 -10.667 -5.052 520 HG2 PRO 69 1HG PRO 69 -11.705 -10.019 -4.807 521 HG3 PRO 69 2HG PRO 69 -10.866 -11.543 -4.468 522 HD2 PRO 69 1HD PRO 69 -11.592 -9.814 -2.515 523 HD3 PRO 69 2HD PRO 69 -10.140 -10.829 -2.400 524 H GLU 70 H GLU 70 -11.406 -7.470 -3.861 525 HA GLU 70 HA GLU 70 -11.486 -5.888 -6.292 526 HB2 GLU 70 1HB GLU 70 -13.663 -5.046 -5.215 527 HB3 GLU 70 2HB GLU 70 -13.597 -6.726 -5.730 528 HG2 GLU 70 1HG GLU 70 -12.850 -6.095 -2.928 529 HG3 GLU 70 2HG GLU 70 -14.553 -6.023 -3.377 530 H ASN 71 H ASN 71 -10.712 -5.497 -2.931 531 HA ASN 71 HA ASN 71 -10.733 -2.592 -3.105 532 HB2 ASN 71 1HB ASN 71 -10.129 -4.510 -0.852 533 HB3 ASN 71 2HB ASN 71 -9.942 -2.765 -0.701 534 HD21 ASN 71 1HD2 ASN 71 -11.643 -4.254 0.907 535 HD22 ASN 71 2HD2 ASN 71 -13.275 -3.802 0.560 536 H VAL 72 H VAL 72 -8.433 -5.252 -2.819 537 HA VAL 72 HA VAL 72 -6.093 -3.812 -2.394 538 HB VAL 72 HB VAL 72 -6.605 -6.419 -3.800 539 HG11 VAL 72 1HG1 VAL 72 -4.685 -5.913 -4.930 540 HG12 VAL 72 2HG1 VAL 72 -4.088 -4.843 -3.660 541 HG13 VAL 72 3HG1 VAL 72 -3.991 -6.593 -3.458 542 HG21 VAL 72 1HG2 VAL 72 -6.650 -7.101 -1.679 543 HG22 VAL 72 2HG2 VAL 72 -4.916 -6.784 -1.634 544 HG23 VAL 72 3HG2 VAL 72 -6.052 -5.550 -1.090 545 H GLU 73 H GLU 73 -7.455 -4.900 -5.507 546 HA GLU 73 HA GLU 73 -5.634 -3.913 -7.264 547 HB2 GLU 73 1HB GLU 73 -7.399 -3.739 -8.900 548 HB3 GLU 73 2HB GLU 73 -7.701 -5.140 -7.883 549 HG2 GLU 73 1HG GLU 73 -9.263 -3.685 -6.546 550 HG3 GLU 73 2HG GLU 73 -9.096 -2.483 -7.824 551 H GLU 74 H GLU 74 -8.227 -2.068 -5.700 552 HA GLU 74 HA GLU 74 -7.709 0.378 -7.006 553 HB2 GLU 74 1HB GLU 74 -8.958 -0.119 -4.297 554 HB3 GLU 74 2HB GLU 74 -9.029 1.396 -5.187 555 HG2 GLU 74 1HG GLU 74 -10.243 -1.233 -6.000 556 HG3 GLU 74 2HG GLU 74 -11.096 0.210 -5.455 557 H ALA 75 H ALA 75 -6.556 -0.975 -3.946 558 HA ALA 75 HA ALA 75 -5.177 1.256 -2.992 559 HB1 ALA 75 1HB ALA 75 -5.485 -1.437 -2.243 560 HB2 ALA 75 2HB ALA 75 -3.749 -1.130 -2.321 561 HB3 ALA 75 3HB ALA 75 -4.778 -0.123 -1.302 562 H ILE 76 H ILE 76 -3.887 -1.511 -4.840 563 HA ILE 76 HA ILE 76 -1.279 -0.769 -5.119 564 HB ILE 76 HB ILE 76 -3.014 -1.966 -7.283 565 HG12 ILE 76 1HG1 ILE 76 -1.218 -3.316 -5.257 566 HG13 ILE 76 2HG1 ILE 76 -2.970 -3.209 -5.122 567 HG21 ILE 76 1HG2 ILE 76 -0.257 -1.156 -7.282 568 HG22 ILE 76 2HG2 ILE 76 -0.387 -2.901 -7.497 569 HG23 ILE 76 3HG2 ILE 76 -1.231 -1.811 -8.598 570 HD11 ILE 76 1HD1 ILE 76 -1.404 -5.141 -6.481 571 HD12 ILE 76 2HD1 ILE 76 -3.157 -5.064 -6.302 572 HD13 ILE 76 3HD1 ILE 76 -2.375 -4.273 -7.671 573 H ASP 77 H ASP 77 -3.861 0.116 -7.418 574 HA ASP 77 HA ASP 77 -2.492 1.711 -9.144 575 HB2 ASP 77 1HB ASP 77 -4.947 1.167 -9.226 576 HB3 ASP 77 2HB ASP 77 -5.208 2.438 -8.035 577 H HIS 78 H HIS 78 -3.614 2.577 -5.915 578 HA HIS 78 HA HIS 78 -2.867 5.322 -6.097 579 HB2 HIS 78 1HB HIS 78 -4.557 4.602 -4.499 580 HB3 HIS 78 2HB HIS 78 -3.385 3.570 -3.685 581 HD1 HIS 78 1HD HIS 78 -4.824 6.881 -3.562 582 HD2 HIS 78 2HD HIS 78 -1.208 5.157 -2.460 583 HE1 HIS 78 1HE HIS 78 -3.770 8.501 -1.954 584 H ILE 79 H ILE 79 -1.288 2.399 -4.927 585 HA ILE 79 HA ILE 79 0.919 3.618 -3.684 586 HB ILE 79 HB ILE 79 0.655 0.899 -4.965 587 HG12 ILE 79 1HG1 ILE 79 0.685 1.723 -2.055 588 HG13 ILE 79 2HG1 ILE 79 -0.776 1.395 -2.981 589 HG21 ILE 79 1HG2 ILE 79 2.858 1.870 -3.152 590 HG22 ILE 79 2HG2 ILE 79 2.704 0.269 -3.872 591 HG23 ILE 79 3HG2 ILE 79 3.008 1.671 -4.898 592 HD11 ILE 79 1HD1 ILE 79 -0.203 -0.893 -3.221 593 HD12 ILE 79 2HD1 ILE 79 1.415 -0.619 -2.576 594 HD13 ILE 79 3HD1 ILE 79 0.009 -0.472 -1.522 595 H LEU 80 H LEU 80 0.672 2.156 -6.930 596 HA LEU 80 HA LEU 80 3.227 2.928 -7.798 597 HB2 LEU 80 1HB LEU 80 0.714 2.058 -9.130 598 HB3 LEU 80 2HB LEU 80 1.985 2.768 -10.124 599 HG LEU 80 HG LEU 80 2.489 0.422 -8.311 600 HD11 LEU 80 1HD1 LEU 80 2.173 -0.085 -11.185 601 HD12 LEU 80 2HD1 LEU 80 0.683 0.293 -10.322 602 HD13 LEU 80 3HD1 LEU 80 1.687 -1.057 -9.796 603 HD21 LEU 80 1HD2 LEU 80 4.067 0.401 -10.635 604 HD22 LEU 80 2HD2 LEU 80 4.580 0.741 -8.982 605 HD23 LEU 80 3HD2 LEU 80 4.080 2.061 -10.040 606 H ASN 81 H ASN 81 0.151 4.604 -7.796 607 HA ASN 81 HA ASN 81 0.681 6.657 -9.589 608 HB2 ASN 81 1HB ASN 81 -1.528 6.529 -8.805 609 HB3 ASN 81 2HB ASN 81 -1.024 6.501 -7.117 610 HD21 ASN 81 1HD2 ASN 81 -1.941 8.238 -6.258 611 HD22 ASN 81 2HD2 ASN 81 -1.783 9.852 -6.853 612 H LEU 82 H LEU 82 1.435 6.445 -6.131 613 HA LEU 82 HA LEU 82 2.662 9.038 -6.053 614 HB2 LEU 82 1HB LEU 82 2.913 6.787 -4.067 615 HB3 LEU 82 2HB LEU 82 3.260 8.492 -3.786 616 HG LEU 82 HG LEU 82 0.526 7.336 -4.336 617 HD11 LEU 82 1HD1 LEU 82 0.232 8.158 -1.898 618 HD12 LEU 82 2HD1 LEU 82 1.988 8.015 -1.818 619 HD13 LEU 82 3HD1 LEU 82 1.005 6.601 -2.197 620 HD21 LEU 82 1HD2 LEU 82 1.036 9.731 -5.054 621 HD22 LEU 82 2HD2 LEU 82 1.185 10.090 -3.333 622 HD23 LEU 82 3HD2 LEU 82 -0.341 9.485 -3.980 623 H GLU 83 H GLU 83 3.800 5.698 -6.243 624 HA GLU 83 HA GLU 83 6.462 5.881 -5.824 625 HB2 GLU 83 1HB GLU 83 5.288 3.820 -6.527 626 HB3 GLU 83 2HB GLU 83 5.203 4.445 -8.168 627 HG2 GLU 83 1HG GLU 83 7.806 4.622 -7.896 628 HG3 GLU 83 2HG GLU 83 7.538 3.401 -6.654 629 H GLU 84 H GLU 84 4.793 6.846 -8.801 630 HA GLU 84 HA GLU 84 7.139 7.623 -10.192 631 HB2 GLU 84 1HB GLU 84 4.997 7.092 -11.310 632 HB3 GLU 84 2HB GLU 84 4.291 8.545 -10.615 633 HG2 GLU 84 1HG GLU 84 6.146 9.817 -11.808 634 HG3 GLU 84 2HG GLU 84 6.429 8.325 -12.703 635 H GLU 85 H GLU 85 4.517 9.756 -9.058 636 HA GLU 85 HA GLU 85 5.737 12.167 -9.265 637 HB2 GLU 85 1HB GLU 85 3.452 12.026 -8.543 638 HB3 GLU 85 2HB GLU 85 3.913 11.191 -7.067 639 HG2 GLU 85 1HG GLU 85 3.329 13.531 -6.668 640 HG3 GLU 85 2HG GLU 85 5.000 13.177 -6.233 641 H TYR 86 H TYR 86 5.826 10.192 -6.294 642 HA TYR 86 HA TYR 86 7.488 11.693 -4.745 643 HB2 TYR 86 1HB TYR 86 7.143 8.732 -5.028 644 HB3 TYR 86 2HB TYR 86 8.395 9.355 -3.960 645 HD1 TYR 86 1HD TYR 86 4.882 10.431 -4.662 646 HD2 TYR 86 2HD TYR 86 7.722 9.151 -1.764 647 HE1 TYR 86 1HE TYR 86 3.205 10.744 -2.890 648 HE2 TYR 86 2HE TYR 86 6.053 9.460 0.016 649 HH TYR 86 HH TYR 86 2.713 10.164 -0.698 650 H LEU 87 H LEU 87 8.578 9.176 -7.025 651 HA LEU 87 HA LEU 87 11.306 9.497 -6.723 652 HB2 LEU 87 1HB LEU 87 9.565 8.587 -8.962 653 HB3 LEU 87 2HB LEU 87 11.282 8.837 -9.271 654 HG LEU 87 HG LEU 87 10.287 7.039 -7.074 655 HD11 LEU 87 1HD1 LEU 87 11.263 5.820 -9.566 656 HD12 LEU 87 2HD1 LEU 87 9.670 6.570 -9.659 657 HD13 LEU 87 3HD1 LEU 87 9.980 5.304 -8.471 658 HD21 LEU 87 1HD2 LEU 87 12.816 6.526 -8.472 659 HD22 LEU 87 2HD2 LEU 87 12.442 6.496 -6.749 660 HD23 LEU 87 3HD2 LEU 87 12.768 8.031 -7.554 661 H ALA 88 H ALA 88 9.120 11.209 -8.935 662 HA ALA 88 HA ALA 88 10.805 12.690 -10.448 663 HB1 ALA 88 1HB ALA 88 8.171 12.747 -10.098 664 HB2 ALA 88 2HB ALA 88 8.584 14.215 -9.211 665 HB3 ALA 88 3HB ALA 88 9.043 14.050 -10.906 666 H ASP 89 H ASP 89 10.168 13.113 -7.032 667 HA ASP 89 HA ASP 89 11.878 15.493 -6.964 668 HB2 ASP 89 1HB ASP 89 9.806 14.355 -5.140 669 HB3 ASP 89 2HB ASP 89 11.085 15.343 -4.440 670 H SER 90 H SER 90 13.138 13.052 -7.518 671 HA SER 90 HA SER 90 14.156 11.477 -5.598 672 HB2 SER 90 1HB SER 90 15.697 12.839 -7.816 673 HB3 SER 90 2HB SER 90 16.344 11.517 -6.845 674 HG SER 90 HG SER 90 14.639 10.215 -7.602 675 H GLY 91 H GLY 91 15.118 14.834 -6.170 676 HA2 GLY 91 1HA GLY 91 16.289 14.863 -3.471 677 HA3 GLY 91 2HA GLY 91 17.229 15.472 -4.825 678 HA PRO 92 HA PRO 92 15.002 19.071 -2.996 679 HB2 PRO 92 1HB PRO 92 17.106 20.770 -3.226 680 HB3 PRO 92 2HB PRO 92 16.888 19.695 -1.841 681 HG2 PRO 92 1HG PRO 92 18.634 19.352 -4.248 682 HG3 PRO 92 2HG PRO 92 19.001 19.025 -2.544 683 HD2 PRO 92 1HD PRO 92 18.334 17.068 -4.292 684 HD3 PRO 92 2HD PRO 92 17.912 16.994 -2.569 685 H SER 93 H SER 93 13.649 19.951 -4.425 686 HA SER 93 HA SER 93 13.963 20.124 -7.158 687 HB2 SER 93 1HB SER 93 12.258 21.649 -5.212 688 HB3 SER 93 2HB SER 93 12.240 22.071 -6.924 689 HG SER 93 HG SER 93 11.517 20.026 -7.407 690 H SER 94 H SER 94 14.390 21.878 -8.585 691 HA SER 94 HA SER 94 16.218 23.888 -7.442 692 HB2 SER 94 1HB SER 94 17.255 22.171 -8.971 693 HB3 SER 94 2HB SER 94 16.267 22.828 -10.275 694 HG SER 94 HG SER 94 17.344 24.924 -9.368 695 H GLY 95 H GLY 95 13.844 23.300 -10.020 696 HA2 GLY 95 1HA GLY 95 12.074 25.131 -10.006 697 HA3 GLY 95 2HA GLY 95 13.441 26.217 -10.203 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -29.384 14.867 -3.385 2 HA2 GLY 1 1HA GLY 1 -28.051 16.686 -3.860 3 HA3 GLY 1 2HA GLY 1 -27.910 16.783 -2.111 4 H SER 2 H SER 2 -26.092 15.876 -1.081 5 HA SER 2 HA SER 2 -23.818 15.434 -2.901 6 HB2 SER 2 1HB SER 2 -23.896 16.590 -0.106 7 HB3 SER 2 2HB SER 2 -22.406 16.188 -0.960 8 HG SER 2 HG SER 2 -23.715 18.429 -1.102 9 H SER 3 H SER 3 -25.135 14.480 0.262 10 HA SER 3 HA SER 3 -23.353 12.294 0.611 11 HB2 SER 3 1HB SER 3 -24.914 11.624 2.433 12 HB3 SER 3 2HB SER 3 -24.428 13.316 2.535 13 HG SER 3 HG SER 3 -26.768 12.631 1.145 14 H GLY 4 H GLY 4 -23.326 10.552 -0.644 15 HA2 GLY 4 1HA GLY 4 -25.829 9.639 -1.879 16 HA3 GLY 4 2HA GLY 4 -24.207 9.188 -2.385 17 H SER 5 H SER 5 -26.919 8.324 -0.532 18 HA SER 5 HA SER 5 -26.095 6.774 1.516 19 HB2 SER 5 1HB SER 5 -28.166 5.994 -0.551 20 HB3 SER 5 2HB SER 5 -28.006 5.266 1.047 21 HG SER 5 HG SER 5 -29.591 7.017 0.825 22 H SER 6 H SER 6 -24.627 5.239 1.764 23 HA SER 6 HA SER 6 -24.305 3.174 -0.260 24 HB2 SER 6 1HB SER 6 -22.142 5.117 0.515 25 HB3 SER 6 2HB SER 6 -21.746 3.498 -0.060 26 HG SER 6 HG SER 6 -22.086 4.203 -1.997 27 H GLY 7 H GLY 7 -23.525 1.239 0.542 28 HA2 GLY 7 1HA GLY 7 -23.029 1.182 3.455 29 HA3 GLY 7 2HA GLY 7 -24.004 -0.031 2.638 30 H ARG 8 H ARG 8 -20.785 1.119 3.274 31 HA ARG 8 HA ARG 8 -19.565 -0.983 1.678 32 HB2 ARG 8 1HB ARG 8 -18.583 1.409 3.159 33 HB3 ARG 8 2HB ARG 8 -17.460 0.080 2.906 34 HG2 ARG 8 1HG ARG 8 -18.999 1.099 0.576 35 HG3 ARG 8 2HG ARG 8 -17.651 2.058 1.191 36 HD2 ARG 8 1HD ARG 8 -16.107 0.313 0.801 37 HD3 ARG 8 2HD ARG 8 -17.393 -0.868 0.550 38 HE ARG 8 HE ARG 8 -16.369 1.034 -1.372 39 HH11 ARG 8 1HH1 ARG 8 -18.957 -1.129 -0.512 40 HH12 ARG 8 2HH1 ARG 8 -19.534 -1.294 -2.137 41 HH21 ARG 8 1HH2 ARG 8 -17.120 0.825 -3.516 42 HH22 ARG 8 2HH2 ARG 8 -18.488 -0.182 -3.845 43 H ILE 9 H ILE 9 -17.568 -2.028 2.914 44 HA ILE 9 HA ILE 9 -18.117 -2.718 5.659 45 HB ILE 9 HB ILE 9 -18.042 -5.242 4.968 46 HG12 ILE 9 1HG1 ILE 9 -19.441 -5.566 2.872 47 HG13 ILE 9 2HG1 ILE 9 -19.114 -3.878 2.496 48 HG21 ILE 9 1HG2 ILE 9 -20.663 -3.880 4.494 49 HG22 ILE 9 2HG2 ILE 9 -20.322 -5.374 5.365 50 HG23 ILE 9 3HG2 ILE 9 -19.894 -3.820 6.080 51 HD11 ILE 9 1HD1 ILE 9 -17.643 -5.830 1.524 52 HD12 ILE 9 2HD1 ILE 9 -16.937 -4.277 1.973 53 HD13 ILE 9 3HD1 ILE 9 -16.808 -5.654 3.067 54 H VAL 10 H VAL 10 -16.568 -4.707 6.224 55 HA VAL 10 HA VAL 10 -13.927 -3.915 5.216 56 HB VAL 10 HB VAL 10 -14.671 -5.427 7.724 57 HG11 VAL 10 1HG1 VAL 10 -12.563 -6.239 7.240 58 HG12 VAL 10 2HG1 VAL 10 -12.040 -4.730 6.488 59 HG13 VAL 10 3HG1 VAL 10 -12.194 -4.836 8.243 60 HG21 VAL 10 1HG2 VAL 10 -13.323 -3.046 8.326 61 HG22 VAL 10 2HG2 VAL 10 -14.524 -2.623 7.106 62 HG23 VAL 10 3HG2 VAL 10 -15.025 -3.414 8.601 63 H GLY 11 H GLY 11 -15.976 -6.734 5.796 64 HA2 GLY 11 1HA GLY 11 -15.991 -8.625 4.363 65 HA3 GLY 11 2HA GLY 11 -14.358 -8.220 3.855 66 H GLU 12 H GLU 12 -14.501 -10.725 4.321 67 HA GLU 12 HA GLU 12 -13.947 -11.283 7.137 68 HB2 GLU 12 1HB GLU 12 -14.534 -13.011 4.750 69 HB3 GLU 12 2HB GLU 12 -13.837 -13.697 6.211 70 HG2 GLU 12 1HG GLU 12 -16.490 -12.314 5.924 71 HG3 GLU 12 2HG GLU 12 -16.193 -14.012 6.291 72 H LEU 13 H LEU 13 -12.041 -12.340 7.814 73 HA LEU 13 HA LEU 13 -9.662 -11.360 6.772 74 HB2 LEU 13 1HB LEU 13 -10.351 -13.585 8.633 75 HB3 LEU 13 2HB LEU 13 -8.688 -13.419 8.073 76 HG LEU 13 HG LEU 13 -8.892 -10.987 8.936 77 HD11 LEU 13 1HD1 LEU 13 -10.822 -10.401 9.852 78 HD12 LEU 13 2HD1 LEU 13 -10.572 -11.617 11.103 79 HD13 LEU 13 3HD1 LEU 13 -11.458 -12.032 9.636 80 HD21 LEU 13 1HD2 LEU 13 -8.925 -12.807 11.248 81 HD22 LEU 13 2HD2 LEU 13 -7.696 -11.656 10.722 82 HD23 LEU 13 3HD2 LEU 13 -7.808 -13.241 9.954 83 H GLU 14 H GLU 14 -10.636 -14.793 6.689 84 HA GLU 14 HA GLU 14 -8.753 -15.724 4.933 85 HB2 GLU 14 1HB GLU 14 -11.629 -16.547 5.300 86 HB3 GLU 14 2HB GLU 14 -10.527 -17.421 4.245 87 HG2 GLU 14 1HG GLU 14 -9.009 -17.573 6.316 88 HG3 GLU 14 2HG GLU 14 -10.460 -17.145 7.221 89 H GLN 15 H GLN 15 -11.851 -14.201 4.145 90 HA GLN 15 HA GLN 15 -11.869 -14.561 1.401 91 HB2 GLN 15 1HB GLN 15 -12.906 -12.322 3.126 92 HB3 GLN 15 2HB GLN 15 -13.144 -12.336 1.383 93 HG2 GLN 15 1HG GLN 15 -14.006 -14.589 3.173 94 HG3 GLN 15 2HG GLN 15 -15.044 -13.222 2.770 95 HE21 GLN 15 1HE2 GLN 15 -15.339 -12.816 0.421 96 HE22 GLN 15 2HE2 GLN 15 -15.485 -14.188 -0.618 97 H MET 16 H MET 16 -10.019 -12.321 3.343 98 HA MET 16 HA MET 16 -9.222 -10.521 1.356 99 HB2 MET 16 1HB MET 16 -7.662 -11.448 3.775 100 HB3 MET 16 2HB MET 16 -7.328 -10.000 2.835 101 HG2 MET 16 1HG MET 16 -9.666 -9.240 3.429 102 HG3 MET 16 2HG MET 16 -9.694 -10.566 4.589 103 HE1 MET 16 1HE MET 16 -9.952 -8.581 6.843 104 HE2 MET 16 2HE MET 16 -9.244 -7.030 6.393 105 HE3 MET 16 3HE MET 16 -10.357 -7.844 5.292 106 H VAL 17 H VAL 17 -7.230 -10.356 0.195 107 HA VAL 17 HA VAL 17 -5.852 -12.918 -0.253 108 HB VAL 17 HB VAL 17 -5.727 -12.432 -2.657 109 HG11 VAL 17 1HG1 VAL 17 -8.636 -12.272 -2.073 110 HG12 VAL 17 2HG1 VAL 17 -7.754 -13.362 -3.144 111 HG13 VAL 17 3HG1 VAL 17 -7.726 -13.624 -1.400 112 HG21 VAL 17 1HG2 VAL 17 -5.922 -9.980 -2.484 113 HG22 VAL 17 2HG2 VAL 17 -7.046 -10.664 -3.658 114 HG23 VAL 17 3HG2 VAL 17 -7.626 -10.163 -2.070 115 H SER 18 H SER 18 -3.671 -12.804 -0.706 116 HA SER 18 HA SER 18 -2.417 -10.239 -0.077 117 HB2 SER 18 1HB SER 18 -0.426 -11.486 0.418 118 HB3 SER 18 2HB SER 18 -1.778 -12.343 1.157 119 HG SER 18 HG SER 18 -1.723 -13.511 -1.025 120 H GLU 19 H GLU 19 -1.250 -9.082 -1.497 121 HA GLU 19 HA GLU 19 -0.569 -10.303 -4.081 122 HB2 GLU 19 1HB GLU 19 -2.090 -7.758 -3.593 123 HB3 GLU 19 2HB GLU 19 -1.150 -7.977 -5.063 124 HG2 GLU 19 1HG GLU 19 -2.487 -9.767 -5.782 125 HG3 GLU 19 2HG GLU 19 -3.228 -9.956 -4.194 126 H ASP 20 H ASP 20 1.351 -9.669 -4.963 127 HA ASP 20 HA ASP 20 3.086 -8.082 -3.228 128 HB2 ASP 20 1HB ASP 20 4.912 -8.961 -4.707 129 HB3 ASP 20 2HB ASP 20 4.001 -10.210 -3.863 130 H VAL 21 H VAL 21 3.293 -5.989 -3.625 131 HA VAL 21 HA VAL 21 2.963 -5.029 -6.388 132 HB VAL 21 HB VAL 21 2.905 -3.193 -4.027 133 HG11 VAL 21 1HG1 VAL 21 2.641 -1.818 -5.778 134 HG12 VAL 21 2HG1 VAL 21 2.184 -3.132 -6.864 135 HG13 VAL 21 3HG1 VAL 21 0.981 -2.411 -5.794 136 HG21 VAL 21 1HG2 VAL 21 1.384 -4.974 -3.399 137 HG22 VAL 21 2HG2 VAL 21 0.471 -3.531 -3.842 138 HG23 VAL 21 3HG2 VAL 21 0.588 -4.881 -4.970 139 HA PRO 22 HA PRO 22 7.346 -4.241 -6.271 140 HB2 PRO 22 1HB PRO 22 7.490 -3.111 -8.735 141 HB3 PRO 22 2HB PRO 22 7.357 -4.855 -8.485 142 HG2 PRO 22 1HG PRO 22 5.224 -2.874 -9.181 143 HG3 PRO 22 2HG PRO 22 5.501 -4.497 -9.839 144 HD2 PRO 22 1HD PRO 22 3.620 -3.987 -7.959 145 HD3 PRO 22 2HD PRO 22 4.490 -5.532 -8.045 146 H LEU 23 H LEU 23 7.573 -2.642 -4.730 147 HA LEU 23 HA LEU 23 7.171 0.122 -5.672 148 HB2 LEU 23 1HB LEU 23 5.709 -0.734 -3.755 149 HB3 LEU 23 2HB LEU 23 7.179 -0.703 -2.784 150 HG LEU 23 HG LEU 23 7.365 1.737 -3.264 151 HD11 LEU 23 1HD1 LEU 23 6.196 2.231 -5.165 152 HD12 LEU 23 2HD1 LEU 23 5.010 2.689 -3.943 153 HD13 LEU 23 3HD1 LEU 23 4.870 1.137 -4.770 154 HD21 LEU 23 1HD2 LEU 23 4.950 2.067 -1.993 155 HD22 LEU 23 2HD2 LEU 23 6.487 1.694 -1.211 156 HD23 LEU 23 3HD2 LEU 23 5.368 0.394 -1.623 157 H ASP 24 H ASP 24 8.957 1.292 -5.861 158 HA ASP 24 HA ASP 24 11.516 0.273 -5.258 159 HB2 ASP 24 1HB ASP 24 10.908 2.015 -7.015 160 HB3 ASP 24 2HB ASP 24 10.872 3.187 -5.701 161 H HIS 25 H HIS 25 12.930 0.661 -3.608 162 HA HIS 25 HA HIS 25 11.860 1.302 -1.069 163 HB2 HIS 25 1HB HIS 25 13.699 -0.221 -1.169 164 HB3 HIS 25 2HB HIS 25 14.696 0.940 -2.039 165 HD1 HIS 25 1HD HIS 25 12.881 0.960 1.317 166 HD2 HIS 25 2HD HIS 25 16.529 2.000 -0.378 167 HE1 HIS 25 1HE HIS 25 14.264 1.876 3.207 168 H ARG 26 H ARG 26 12.901 3.265 -3.595 169 HA ARG 26 HA ARG 26 13.990 5.425 -2.072 170 HB2 ARG 26 1HB ARG 26 12.907 5.323 -4.892 171 HB3 ARG 26 2HB ARG 26 13.725 6.712 -4.191 172 HG2 ARG 26 1HG ARG 26 15.082 4.056 -4.208 173 HG3 ARG 26 2HG ARG 26 15.037 5.033 -5.677 174 HD2 ARG 26 1HD ARG 26 16.326 6.711 -4.759 175 HD3 ARG 26 2HD ARG 26 15.879 6.290 -3.106 176 HE ARG 26 HE ARG 26 17.604 4.774 -3.052 177 HH11 ARG 26 1HH1 ARG 26 17.075 5.827 -6.328 178 HH12 ARG 26 2HH1 ARG 26 18.513 5.078 -6.939 179 HH21 ARG 26 1HH2 ARG 26 19.500 3.784 -3.844 180 HH22 ARG 26 2HH2 ARG 26 19.891 3.916 -5.526 181 H VAL 27 H VAL 27 10.800 4.473 -3.104 182 HA VAL 27 HA VAL 27 9.675 7.010 -2.151 183 HB VAL 27 HB VAL 27 7.675 6.486 -3.298 184 HG11 VAL 27 1HG1 VAL 27 9.462 5.301 -5.319 185 HG12 VAL 27 2HG1 VAL 27 8.427 6.727 -5.412 186 HG13 VAL 27 3HG1 VAL 27 9.999 6.826 -4.617 187 HG21 VAL 27 1HG2 VAL 27 7.459 4.162 -2.601 188 HG22 VAL 27 2HG2 VAL 27 7.243 4.310 -4.346 189 HG23 VAL 27 3HG2 VAL 27 8.764 3.700 -3.694 190 H HIS 28 H HIS 28 10.158 3.777 -1.213 191 HA HIS 28 HA HIS 28 8.012 3.016 0.262 192 HB2 HIS 28 1HB HIS 28 10.949 2.702 0.655 193 HB3 HIS 28 2HB HIS 28 9.891 2.239 1.984 194 HD2 HIS 28 2HD HIS 28 8.678 1.471 -1.627 195 HE1 HIS 28 1HE HIS 28 9.892 -2.174 0.173 196 HE2 HIS 28 2HE HIS 28 8.846 -1.100 -1.851 197 H ALA 29 H ALA 29 10.698 4.891 1.683 198 HA ALA 29 HA ALA 29 9.408 5.513 4.078 199 HB1 ALA 29 1HB ALA 29 11.200 7.622 3.240 200 HB2 ALA 29 2HB ALA 29 11.355 6.470 4.567 201 HB3 ALA 29 3HB ALA 29 11.892 6.026 2.947 202 H ARG 30 H ARG 30 9.773 7.538 1.164 203 HA ARG 30 HA ARG 30 8.467 9.798 1.886 204 HB2 ARG 30 1HB ARG 30 8.658 8.303 -0.678 205 HB3 ARG 30 2HB ARG 30 7.483 9.609 -0.590 206 HG2 ARG 30 1HG ARG 30 9.453 10.548 -1.472 207 HG3 ARG 30 2HG ARG 30 9.362 11.088 0.205 208 HD2 ARG 30 1HD ARG 30 11.009 9.523 0.889 209 HD3 ARG 30 2HD ARG 30 10.936 8.673 -0.654 210 HE ARG 30 HE ARG 30 12.397 10.203 -1.519 211 HH11 ARG 30 1HH1 ARG 30 11.022 11.484 1.412 212 HH12 ARG 30 2HH1 ARG 30 12.061 12.869 1.449 213 HH21 ARG 30 1HH2 ARG 30 13.771 12.023 -1.482 214 HH22 ARG 30 2HH2 ARG 30 13.624 13.176 -0.198 215 H ILE 31 H ILE 31 6.986 6.712 1.059 216 HA ILE 31 HA ILE 31 4.302 7.762 1.273 217 HB ILE 31 HB ILE 31 5.350 4.958 0.902 218 HG12 ILE 31 1HG1 ILE 31 3.738 6.692 -0.976 219 HG13 ILE 31 2HG1 ILE 31 5.497 6.624 -0.994 220 HG21 ILE 31 1HG2 ILE 31 2.477 5.874 0.935 221 HG22 ILE 31 2HG2 ILE 31 3.051 4.245 0.583 222 HG23 ILE 31 3HG2 ILE 31 3.263 4.925 2.196 223 HD11 ILE 31 1HD1 ILE 31 3.847 4.144 -1.274 224 HD12 ILE 31 2HD1 ILE 31 4.209 5.177 -2.658 225 HD13 ILE 31 3HD1 ILE 31 5.521 4.426 -1.750 226 H ILE 32 H ILE 32 6.269 5.408 3.087 227 HA ILE 32 HA ILE 32 4.588 4.694 5.091 228 HB ILE 32 HB ILE 32 7.527 5.327 5.246 229 HG12 ILE 32 1HG1 ILE 32 6.167 2.648 5.455 230 HG13 ILE 32 2HG1 ILE 32 6.558 3.362 3.894 231 HG21 ILE 32 1HG2 ILE 32 5.789 4.099 7.382 232 HG22 ILE 32 2HG2 ILE 32 7.551 4.159 7.411 233 HG23 ILE 32 3HG2 ILE 32 6.617 5.654 7.468 234 HD11 ILE 32 1HD1 ILE 32 8.188 1.719 5.279 235 HD12 ILE 32 2HD1 ILE 32 8.740 2.904 4.095 236 HD13 ILE 32 3HD1 ILE 32 8.773 3.294 5.814 237 H GLY 33 H GLY 33 6.648 7.606 5.136 238 HA2 GLY 33 1HA GLY 33 5.982 9.713 5.957 239 HA3 GLY 33 2HA GLY 33 4.635 8.941 6.781 240 H ALA 34 H ALA 34 7.270 10.638 7.400 241 HA ALA 34 HA ALA 34 8.990 9.518 9.096 242 HB1 ALA 34 1HB ALA 34 9.434 11.617 9.674 243 HB2 ALA 34 2HB ALA 34 8.022 12.104 8.736 244 HB3 ALA 34 3HB ALA 34 7.868 11.796 10.465 245 H ARG 35 H ARG 35 5.782 10.605 10.227 246 HA ARG 35 HA ARG 35 6.052 9.239 12.728 247 HB2 ARG 35 1HB ARG 35 3.694 10.569 11.388 248 HB3 ARG 35 2HB ARG 35 3.627 9.865 12.997 249 HG2 ARG 35 1HG ARG 35 5.750 11.862 12.432 250 HG3 ARG 35 2HG ARG 35 4.090 12.430 12.622 251 HD2 ARG 35 1HD ARG 35 5.437 10.625 14.617 252 HD3 ARG 35 2HD ARG 35 5.516 12.384 14.716 253 HE ARG 35 HE ARG 35 2.830 11.601 14.488 254 HH11 ARG 35 1HH1 ARG 35 5.476 11.475 16.747 255 HH12 ARG 35 2HH1 ARG 35 4.452 11.470 18.145 256 HH21 ARG 35 1HH2 ARG 35 1.472 11.594 16.321 257 HH22 ARG 35 2HH2 ARG 35 2.175 11.537 17.901 258 H GLY 36 H GLY 36 4.735 8.468 9.601 259 HA2 GLY 36 1HA GLY 36 4.384 6.246 8.869 260 HA3 GLY 36 2HA GLY 36 4.207 5.747 10.545 261 H LYS 37 H LYS 37 2.518 8.567 9.498 262 HA LYS 37 HA LYS 37 -0.013 7.161 9.865 263 HB2 LYS 37 1HB LYS 37 -0.992 9.234 10.289 264 HB3 LYS 37 2HB LYS 37 0.622 9.412 10.965 265 HG2 LYS 37 1HG LYS 37 1.346 10.724 9.135 266 HG3 LYS 37 2HG LYS 37 -0.094 10.328 8.194 267 HD2 LYS 37 1HD LYS 37 -0.446 12.515 9.005 268 HD3 LYS 37 2HD LYS 37 -1.428 11.466 10.031 269 HE2 LYS 37 1HE LYS 37 1.360 12.131 10.859 270 HE3 LYS 37 2HE LYS 37 0.088 13.331 11.079 271 HZ1 LYS 37 1HZ LYS 37 -0.481 12.278 12.925 272 HZ2 LYS 37 2HZ LYS 37 0.657 11.057 12.645 273 HZ3 LYS 37 3HZ LYS 37 -0.907 10.916 12.016 274 H ALA 38 H ALA 38 1.874 8.733 7.395 275 HA ALA 38 HA ALA 38 -0.071 9.198 5.458 276 HB1 ALA 38 1HB ALA 38 1.824 8.931 3.822 277 HB2 ALA 38 2HB ALA 38 2.104 10.085 5.127 278 HB3 ALA 38 3HB ALA 38 2.841 8.484 5.192 279 H ILE 39 H ILE 39 1.420 6.228 6.493 280 HA ILE 39 HA ILE 39 0.379 4.737 4.223 281 HB ILE 39 HB ILE 39 2.605 4.179 5.149 282 HG12 ILE 39 1HG1 ILE 39 2.216 1.709 5.302 283 HG13 ILE 39 2HG1 ILE 39 0.486 2.030 5.349 284 HG21 ILE 39 1HG2 ILE 39 1.578 4.563 7.576 285 HG22 ILE 39 2HG2 ILE 39 1.393 2.812 7.479 286 HG23 ILE 39 3HG2 ILE 39 2.988 3.541 7.295 287 HD11 ILE 39 1HD1 ILE 39 0.377 2.489 3.145 288 HD12 ILE 39 2HD1 ILE 39 1.986 3.212 3.101 289 HD13 ILE 39 3HD1 ILE 39 1.807 1.457 3.109 290 H ARG 40 H ARG 40 -0.540 5.576 7.418 291 HA ARG 40 HA ARG 40 -2.251 3.349 7.931 292 HB2 ARG 40 1HB ARG 40 -1.258 4.919 9.660 293 HB3 ARG 40 2HB ARG 40 -2.461 6.098 9.156 294 HG2 ARG 40 1HG ARG 40 -3.380 5.081 11.042 295 HG3 ARG 40 2HG ARG 40 -4.194 4.305 9.681 296 HD2 ARG 40 1HD ARG 40 -2.698 2.397 9.848 297 HD3 ARG 40 2HD ARG 40 -1.816 3.181 11.158 298 HE ARG 40 HE ARG 40 -4.617 2.861 11.699 299 HH11 ARG 40 1HH1 ARG 40 -1.494 1.325 11.811 300 HH12 ARG 40 2HH1 ARG 40 -1.936 0.224 13.074 301 HH21 ARG 40 1HH2 ARG 40 -5.210 1.416 13.362 302 HH22 ARG 40 2HH2 ARG 40 -4.050 0.276 13.955 303 H LYS 41 H LYS 41 -2.786 6.661 6.771 304 HA LYS 41 HA LYS 41 -5.571 6.562 6.579 305 HB2 LYS 41 1HB LYS 41 -5.433 8.538 5.350 306 HB3 LYS 41 2HB LYS 41 -3.953 8.560 6.300 307 HG2 LYS 41 1HG LYS 41 -2.670 7.812 4.402 308 HG3 LYS 41 2HG LYS 41 -4.140 7.632 3.441 309 HD2 LYS 41 1HD LYS 41 -4.550 10.048 3.644 310 HD3 LYS 41 2HD LYS 41 -3.057 10.214 4.572 311 HE2 LYS 41 1HE LYS 41 -1.834 9.263 2.606 312 HE3 LYS 41 2HE LYS 41 -3.343 9.351 1.698 313 HZ1 LYS 41 1HZ LYS 41 -1.513 11.317 1.827 314 HZ2 LYS 41 2HZ LYS 41 -2.607 11.807 3.021 315 HZ3 LYS 41 3HZ LYS 41 -3.143 11.549 1.437 316 H ILE 42 H ILE 42 -3.069 5.450 4.378 317 HA ILE 42 HA ILE 42 -4.788 4.943 2.172 318 HB ILE 42 HB ILE 42 -2.116 3.683 2.804 319 HG12 ILE 42 1HG1 ILE 42 -2.844 6.155 1.221 320 HG13 ILE 42 2HG1 ILE 42 -1.893 6.089 2.701 321 HG21 ILE 42 1HG2 ILE 42 -1.998 3.129 0.467 322 HG22 ILE 42 2HG2 ILE 42 -3.490 2.470 1.137 323 HG23 ILE 42 3HG2 ILE 42 -3.535 3.936 0.157 324 HD11 ILE 42 1HD1 ILE 42 -1.102 4.988 0.016 325 HD12 ILE 42 2HD1 ILE 42 -0.453 6.427 0.804 326 HD13 ILE 42 3HD1 ILE 42 -0.158 4.833 1.498 327 H MET 43 H MET 43 -3.426 2.856 4.709 328 HA MET 43 HA MET 43 -4.532 0.443 3.841 329 HB2 MET 43 1HB MET 43 -3.621 1.466 6.507 330 HB3 MET 43 2HB MET 43 -4.409 -0.102 6.394 331 HG2 MET 43 1HG MET 43 -2.671 -0.630 4.591 332 HG3 MET 43 2HG MET 43 -1.809 0.780 5.203 333 HE1 MET 43 1HE MET 43 -0.894 1.153 7.178 334 HE2 MET 43 2HE MET 43 -0.731 0.102 8.584 335 HE3 MET 43 3HE MET 43 0.355 -0.092 7.208 336 H ASP 44 H ASP 44 -5.828 2.891 6.056 337 HA ASP 44 HA ASP 44 -8.243 1.454 6.574 338 HB2 ASP 44 1HB ASP 44 -7.211 4.190 7.195 339 HB3 ASP 44 2HB ASP 44 -8.939 3.883 7.352 340 H GLU 45 H GLU 45 -7.274 3.988 4.332 341 HA GLU 45 HA GLU 45 -9.714 4.856 3.396 342 HB2 GLU 45 1HB GLU 45 -7.720 5.922 2.631 343 HB3 GLU 45 2HB GLU 45 -7.112 4.427 1.934 344 HG2 GLU 45 1HG GLU 45 -7.921 5.981 0.231 345 HG3 GLU 45 2HG GLU 45 -8.832 4.472 0.240 346 H PHE 46 H PHE 46 -7.785 2.179 2.041 347 HA PHE 46 HA PHE 46 -10.152 1.241 0.602 348 HB2 PHE 46 1HB PHE 46 -7.294 0.260 0.444 349 HB3 PHE 46 2HB PHE 46 -8.616 -0.212 -0.619 350 HD1 PHE 46 1HD PHE 46 -6.298 2.476 0.289 351 HD2 PHE 46 2HD PHE 46 -9.377 1.234 -2.375 352 HE1 PHE 46 1HE PHE 46 -5.745 4.343 -1.216 353 HE2 PHE 46 2HE PHE 46 -8.828 3.098 -3.883 354 HZ PHE 46 HZ PHE 46 -7.010 4.656 -3.306 355 H LYS 47 H LYS 47 -8.904 0.833 3.576 356 HA LYS 47 HA LYS 47 -9.195 -0.701 5.230 357 HB2 LYS 47 1HB LYS 47 -11.068 -2.027 3.261 358 HB3 LYS 47 2HB LYS 47 -10.987 -2.354 4.987 359 HG2 LYS 47 1HG LYS 47 -11.675 0.333 3.822 360 HG3 LYS 47 2HG LYS 47 -12.870 -0.880 4.290 361 HD2 LYS 47 1HD LYS 47 -11.800 -0.852 6.585 362 HD3 LYS 47 2HD LYS 47 -10.912 0.578 6.053 363 HE2 LYS 47 1HE LYS 47 -12.877 1.275 7.254 364 HE3 LYS 47 2HE LYS 47 -13.075 1.676 5.549 365 HZ1 LYS 47 1HZ LYS 47 -14.648 -0.039 7.197 366 HZ2 LYS 47 2HZ LYS 47 -14.128 -0.836 5.799 367 HZ3 LYS 47 3HZ LYS 47 -15.002 0.607 5.674 368 H VAL 48 H VAL 48 -7.026 -1.014 3.408 369 HA VAL 48 HA VAL 48 -6.751 -3.941 3.260 370 HB VAL 48 HB VAL 48 -4.909 -3.555 1.687 371 HG11 VAL 48 1HG1 VAL 48 -7.313 -3.753 0.954 372 HG12 VAL 48 2HG1 VAL 48 -7.322 -1.996 0.789 373 HG13 VAL 48 3HG1 VAL 48 -6.227 -2.970 -0.194 374 HG21 VAL 48 1HG2 VAL 48 -5.467 -0.706 2.366 375 HG22 VAL 48 2HG2 VAL 48 -3.922 -1.535 2.171 376 HG23 VAL 48 3HG2 VAL 48 -4.877 -1.105 0.752 377 H ASP 49 H ASP 49 -4.354 -4.630 3.490 378 HA ASP 49 HA ASP 49 -3.135 -3.186 5.749 379 HB2 ASP 49 1HB ASP 49 -3.754 -6.106 5.464 380 HB3 ASP 49 2HB ASP 49 -2.377 -5.597 6.437 381 H ILE 50 H ILE 50 -1.560 -2.204 4.519 382 HA ILE 50 HA ILE 50 0.066 -3.717 2.682 383 HB ILE 50 HB ILE 50 0.545 -0.922 3.717 384 HG12 ILE 50 1HG1 ILE 50 -0.815 -1.665 1.130 385 HG13 ILE 50 2HG1 ILE 50 -1.719 -1.355 2.608 386 HG21 ILE 50 1HG2 ILE 50 1.988 -2.658 1.944 387 HG22 ILE 50 2HG2 ILE 50 1.440 -1.223 1.081 388 HG23 ILE 50 3HG2 ILE 50 2.421 -1.055 2.537 389 HD11 ILE 50 1HD1 ILE 50 -1.207 0.887 2.605 390 HD12 ILE 50 2HD1 ILE 50 0.232 0.666 1.611 391 HD13 ILE 50 3HD1 ILE 50 -1.370 0.542 0.884 392 H ARG 51 H ARG 51 2.052 -4.555 3.012 393 HA ARG 51 HA ARG 51 3.331 -4.080 5.621 394 HB2 ARG 51 1HB ARG 51 2.101 -6.364 5.226 395 HB3 ARG 51 2HB ARG 51 3.533 -6.750 4.281 396 HG2 ARG 51 1HG ARG 51 4.041 -7.600 6.368 397 HG3 ARG 51 2HG ARG 51 4.839 -6.026 6.383 398 HD2 ARG 51 1HD ARG 51 3.782 -5.997 8.421 399 HD3 ARG 51 2HD ARG 51 2.569 -5.222 7.404 400 HE ARG 51 HE ARG 51 1.205 -7.064 7.658 401 HH11 ARG 51 1HH1 ARG 51 4.372 -7.732 8.940 402 HH12 ARG 51 2HH1 ARG 51 3.889 -9.200 9.722 403 HH21 ARG 51 1HH2 ARG 51 0.557 -8.997 8.682 404 HH22 ARG 51 2HH2 ARG 51 1.719 -9.920 9.574 405 H PHE 52 H PHE 52 5.212 -3.110 5.295 406 HA PHE 52 HA PHE 52 6.569 -3.249 2.763 407 HB2 PHE 52 1HB PHE 52 7.131 -1.844 5.366 408 HB3 PHE 52 2HB PHE 52 8.306 -1.848 4.055 409 HD1 PHE 52 1HD PHE 52 7.788 -0.740 1.924 410 HD2 PHE 52 2HD PHE 52 5.158 -0.517 5.263 411 HE1 PHE 52 1HE PHE 52 6.635 1.168 0.884 412 HE2 PHE 52 2HE PHE 52 4.000 1.391 4.228 413 HZ PHE 52 HZ PHE 52 4.738 2.236 2.035 414 HA PRO 53 HA PRO 53 9.348 -6.552 3.569 415 HB2 PRO 53 1HB PRO 53 11.500 -5.760 2.115 416 HB3 PRO 53 2HB PRO 53 10.009 -6.358 1.377 417 HG2 PRO 53 1HG PRO 53 10.930 -3.536 1.767 418 HG3 PRO 53 2HG PRO 53 10.163 -4.277 0.350 419 HD2 PRO 53 1HD PRO 53 8.790 -2.758 2.123 420 HD3 PRO 53 2HD PRO 53 8.049 -4.117 1.255 421 H GLN 54 H GLN 54 10.088 -6.688 5.615 422 HA GLN 54 HA GLN 54 11.459 -4.702 7.023 423 HB2 GLN 54 1HB GLN 54 11.367 -7.694 7.402 424 HB3 GLN 54 2HB GLN 54 12.155 -6.606 8.536 425 HG2 GLN 54 1HG GLN 54 10.056 -6.965 9.459 426 HG3 GLN 54 2HG GLN 54 9.909 -5.399 8.663 427 HE21 GLN 54 1HE2 GLN 54 7.615 -5.830 8.751 428 HE22 GLN 54 2HE2 GLN 54 6.886 -6.806 7.527 429 H SER 55 H SER 55 13.723 -5.285 8.044 430 HA SER 55 HA SER 55 15.658 -4.835 6.115 431 HB2 SER 55 1HB SER 55 17.308 -5.338 7.858 432 HB3 SER 55 2HB SER 55 15.984 -4.378 8.517 433 HG SER 55 HG SER 55 15.076 -6.469 9.186 434 H GLY 56 H GLY 56 14.917 -7.900 7.781 435 HA2 GLY 56 1HA GLY 56 16.677 -9.357 5.986 436 HA3 GLY 56 2HA GLY 56 15.765 -10.029 7.330 437 H ALA 57 H ALA 57 14.439 -8.068 4.722 438 HA ALA 57 HA ALA 57 12.578 -10.219 4.099 439 HB1 ALA 57 1HB ALA 57 12.683 -7.382 3.080 440 HB2 ALA 57 2HB ALA 57 11.387 -8.543 2.784 441 HB3 ALA 57 3HB ALA 57 11.697 -7.965 4.421 442 HA PRO 58 HA PRO 58 14.661 -11.579 0.471 443 HB2 PRO 58 1HB PRO 58 12.548 -12.554 -0.927 444 HB3 PRO 58 2HB PRO 58 13.220 -13.369 0.490 445 HG2 PRO 58 1HG PRO 58 10.813 -11.600 0.285 446 HG3 PRO 58 2HG PRO 58 11.011 -13.123 1.173 447 HD2 PRO 58 1HD PRO 58 11.143 -10.704 2.382 448 HD3 PRO 58 2HD PRO 58 12.088 -12.101 2.936 449 H ASP 59 H ASP 59 11.813 -9.522 0.111 450 HA ASP 59 HA ASP 59 13.031 -8.384 -2.319 451 HB2 ASP 59 1HB ASP 59 10.082 -8.771 -1.760 452 HB3 ASP 59 2HB ASP 59 10.752 -7.951 -3.168 453 HA PRO 60 HA PRO 60 12.760 -4.980 0.722 454 HB2 PRO 60 1HB PRO 60 14.909 -3.651 -0.270 455 HB3 PRO 60 2HB PRO 60 15.052 -4.985 0.881 456 HG2 PRO 60 1HG PRO 60 15.389 -5.005 -2.094 457 HG3 PRO 60 2HG PRO 60 16.373 -5.801 -0.851 458 HD2 PRO 60 1HD PRO 60 14.508 -7.125 -2.302 459 HD3 PRO 60 2HD PRO 60 14.893 -7.553 -0.622 460 H ASN 61 H ASN 61 12.304 -5.276 -2.595 461 HA ASN 61 HA ASN 61 11.499 -2.450 -2.825 462 HB2 ASN 61 1HB ASN 61 11.661 -3.047 -5.378 463 HB3 ASN 61 2HB ASN 61 13.116 -2.647 -4.470 464 HD21 ASN 61 1HD2 ASN 61 14.743 -3.912 -4.946 465 HD22 ASN 61 2HD2 ASN 61 14.655 -5.592 -5.341 466 H CYS 62 H CYS 62 10.144 -5.158 -2.034 467 HA CYS 62 HA CYS 62 7.737 -4.696 -3.665 468 HB2 CYS 62 1HB CYS 62 9.144 -6.904 -4.025 469 HB3 CYS 62 2HB CYS 62 8.303 -7.419 -2.568 470 HG CYS 62 HG CYS 62 6.538 -6.215 -5.220 471 H VAL 63 H VAL 63 5.791 -4.707 -2.605 472 HA VAL 63 HA VAL 63 5.907 -5.014 0.326 473 HB VAL 63 HB VAL 63 4.268 -3.263 0.569 474 HG11 VAL 63 1HG1 VAL 63 5.659 -1.429 -0.851 475 HG12 VAL 63 2HG1 VAL 63 6.198 -2.109 0.686 476 HG13 VAL 63 3HG1 VAL 63 6.805 -2.768 -0.834 477 HG21 VAL 63 1HG2 VAL 63 2.955 -3.628 -1.425 478 HG22 VAL 63 2HG2 VAL 63 3.498 -1.951 -1.382 479 HG23 VAL 63 3HG2 VAL 63 4.298 -3.110 -2.444 480 H THR 64 H THR 64 4.436 -6.308 1.258 481 HA THR 64 HA THR 64 2.614 -7.766 -0.478 482 HB THR 64 HB THR 64 3.494 -8.162 2.375 483 HG1 THR 64 1HG THR 64 4.768 -9.571 1.450 484 HG21 THR 64 1HG2 THR 64 1.270 -9.541 0.882 485 HG22 THR 64 2HG2 THR 64 1.196 -8.747 2.455 486 HG23 THR 64 3HG2 THR 64 2.080 -10.261 2.271 487 H VAL 65 H VAL 65 0.727 -6.789 -0.868 488 HA VAL 65 HA VAL 65 -0.600 -5.306 1.283 489 HB VAL 65 HB VAL 65 -1.279 -5.442 -1.659 490 HG11 VAL 65 1HG1 VAL 65 -2.483 -3.211 -0.760 491 HG12 VAL 65 2HG1 VAL 65 -3.284 -4.781 -0.852 492 HG13 VAL 65 3HG1 VAL 65 -2.605 -4.224 0.679 493 HG21 VAL 65 1HG2 VAL 65 0.808 -4.308 -1.382 494 HG22 VAL 65 2HG2 VAL 65 -0.435 -3.088 -1.661 495 HG23 VAL 65 3HG2 VAL 65 0.179 -3.365 -0.031 496 H THR 66 H THR 66 -2.207 -6.191 2.390 497 HA THR 66 HA THR 66 -3.490 -8.611 1.322 498 HB THR 66 HB THR 66 -3.736 -7.687 4.172 499 HG1 THR 66 1HG THR 66 -1.688 -9.409 3.200 500 HG21 THR 66 1HG2 THR 66 -3.951 -10.332 2.744 501 HG22 THR 66 2HG2 THR 66 -5.209 -9.466 3.625 502 HG23 THR 66 3HG2 THR 66 -3.862 -10.195 4.499 503 H GLY 67 H GLY 67 -5.803 -8.912 1.811 504 HA2 GLY 67 1HA GLY 67 -7.838 -7.675 2.625 505 HA3 GLY 67 2HA GLY 67 -7.234 -6.330 1.668 506 H LEU 68 H LEU 68 -9.756 -7.176 1.210 507 HA LEU 68 HA LEU 68 -10.282 -9.201 -0.549 508 HB2 LEU 68 1HB LEU 68 -11.412 -6.424 -0.381 509 HB3 LEU 68 2HB LEU 68 -12.034 -7.617 -1.519 510 HG LEU 68 HG LEU 68 -13.476 -7.588 0.376 511 HD11 LEU 68 1HD1 LEU 68 -12.061 -9.993 1.209 512 HD12 LEU 68 2HD1 LEU 68 -12.231 -9.855 -0.541 513 HD13 LEU 68 3HD1 LEU 68 -13.661 -9.807 0.490 514 HD21 LEU 68 1HD2 LEU 68 -11.693 -6.581 1.889 515 HD22 LEU 68 2HD2 LEU 68 -11.162 -8.238 2.179 516 HD23 LEU 68 3HD2 LEU 68 -12.798 -7.746 2.619 517 HA PRO 69 HA PRO 69 -8.183 -8.387 -4.320 518 HB2 PRO 69 1HB PRO 69 -9.910 -9.488 -6.102 519 HB3 PRO 69 2HB PRO 69 -8.903 -10.455 -5.017 520 HG2 PRO 69 1HG PRO 69 -11.784 -9.687 -4.746 521 HG3 PRO 69 2HG PRO 69 -11.009 -11.251 -4.433 522 HD2 PRO 69 1HD PRO 69 -11.650 -9.520 -2.452 523 HD3 PRO 69 2HD PRO 69 -10.243 -10.598 -2.360 524 H GLU 70 H GLU 70 -11.383 -7.179 -3.779 525 HA GLU 70 HA GLU 70 -11.435 -5.577 -6.188 526 HB2 GLU 70 1HB GLU 70 -13.559 -4.693 -5.258 527 HB3 GLU 70 2HB GLU 70 -13.536 -6.447 -5.379 528 HG2 GLU 70 1HG GLU 70 -13.252 -6.703 -3.051 529 HG3 GLU 70 2HG GLU 70 -12.886 -4.992 -2.836 530 H ASN 71 H ASN 71 -10.635 -5.193 -2.813 531 HA ASN 71 HA ASN 71 -10.476 -2.305 -3.001 532 HB2 ASN 71 1HB ASN 71 -9.900 -4.272 -0.787 533 HB3 ASN 71 2HB ASN 71 -9.562 -2.551 -0.631 534 HD21 ASN 71 1HD2 ASN 71 -11.542 -4.543 0.582 535 HD22 ASN 71 2HD2 ASN 71 -13.054 -3.711 0.491 536 H VAL 72 H VAL 72 -8.288 -5.067 -2.827 537 HA VAL 72 HA VAL 72 -5.875 -3.690 -2.524 538 HB VAL 72 HB VAL 72 -6.537 -6.337 -3.788 539 HG11 VAL 72 1HG1 VAL 72 -4.647 -6.041 -5.000 540 HG12 VAL 72 2HG1 VAL 72 -4.002 -4.820 -3.901 541 HG13 VAL 72 3HG1 VAL 72 -3.884 -6.531 -3.487 542 HG21 VAL 72 1HG2 VAL 72 -4.698 -6.402 -1.594 543 HG22 VAL 72 2HG2 VAL 72 -6.114 -5.448 -1.151 544 HG23 VAL 72 3HG2 VAL 72 -6.310 -7.107 -1.715 545 H GLU 73 H GLU 73 -7.468 -4.807 -5.510 546 HA GLU 73 HA GLU 73 -5.672 -3.981 -7.394 547 HB2 GLU 73 1HB GLU 73 -7.579 -3.695 -8.930 548 HB3 GLU 73 2HB GLU 73 -7.708 -5.168 -7.980 549 HG2 GLU 73 1HG GLU 73 -9.325 -4.131 -6.519 550 HG3 GLU 73 2HG GLU 73 -9.143 -2.595 -7.365 551 H GLU 74 H GLU 74 -8.026 -1.991 -5.671 552 HA GLU 74 HA GLU 74 -7.455 0.390 -7.144 553 HB2 GLU 74 1HB GLU 74 -8.860 -0.081 -4.514 554 HB3 GLU 74 2HB GLU 74 -8.708 1.504 -5.258 555 HG2 GLU 74 1HG GLU 74 -10.104 -0.888 -6.436 556 HG3 GLU 74 2HG GLU 74 -10.874 0.531 -5.729 557 H ALA 75 H ALA 75 -6.589 -0.744 -3.884 558 HA ALA 75 HA ALA 75 -5.090 1.411 -3.033 559 HB1 ALA 75 1HB ALA 75 -5.262 -1.429 -2.347 560 HB2 ALA 75 2HB ALA 75 -3.709 -0.684 -1.965 561 HB3 ALA 75 3HB ALA 75 -5.197 -0.008 -1.303 562 H ILE 76 H ILE 76 -3.923 -1.460 -4.793 563 HA ILE 76 HA ILE 76 -1.248 -0.842 -4.973 564 HB ILE 76 HB ILE 76 -2.966 -2.134 -7.095 565 HG12 ILE 76 1HG1 ILE 76 -1.141 -3.548 -5.171 566 HG13 ILE 76 2HG1 ILE 76 -2.779 -3.116 -4.693 567 HG21 ILE 76 1HG2 ILE 76 -0.177 -1.400 -7.085 568 HG22 ILE 76 2HG2 ILE 76 -0.374 -3.145 -7.238 569 HG23 ILE 76 3HG2 ILE 76 -1.159 -2.064 -8.390 570 HD11 ILE 76 1HD1 ILE 76 -2.147 -4.745 -7.136 571 HD12 ILE 76 2HD1 ILE 76 -2.488 -5.443 -5.553 572 HD13 ILE 76 3HD1 ILE 76 -3.719 -4.490 -6.379 573 H ASP 77 H ASP 77 -3.797 0.079 -7.287 574 HA ASP 77 HA ASP 77 -2.244 1.518 -9.070 575 HB2 ASP 77 1HB ASP 77 -4.652 0.937 -9.377 576 HB3 ASP 77 2HB ASP 77 -5.067 2.208 -8.230 577 H HIS 78 H HIS 78 -3.758 2.603 -6.060 578 HA HIS 78 HA HIS 78 -3.038 5.324 -6.306 579 HB2 HIS 78 1HB HIS 78 -4.789 4.650 -4.775 580 HB3 HIS 78 2HB HIS 78 -3.657 3.661 -3.857 581 HD1 HIS 78 1HD HIS 78 -5.060 7.020 -4.044 582 HD2 HIS 78 2HD HIS 78 -1.658 5.252 -2.443 583 HE1 HIS 78 1HE HIS 78 -4.145 8.689 -2.401 584 H ILE 79 H ILE 79 -1.344 2.506 -5.150 585 HA ILE 79 HA ILE 79 0.715 3.864 -3.746 586 HB ILE 79 HB ILE 79 0.661 1.108 -4.976 587 HG12 ILE 79 1HG1 ILE 79 0.446 1.980 -2.088 588 HG13 ILE 79 2HG1 ILE 79 -0.931 1.572 -3.106 589 HG21 ILE 79 1HG2 ILE 79 2.568 1.164 -2.948 590 HG22 ILE 79 2HG2 ILE 79 2.863 1.049 -4.682 591 HG23 ILE 79 3HG2 ILE 79 2.861 2.625 -3.891 592 HD11 ILE 79 1HD1 ILE 79 -0.664 -0.435 -2.129 593 HD12 ILE 79 2HD1 ILE 79 0.523 -0.651 -3.415 594 HD13 ILE 79 3HD1 ILE 79 1.049 -0.172 -1.802 595 H LEU 80 H LEU 80 0.855 2.164 -6.884 596 HA LEU 80 HA LEU 80 3.355 3.055 -7.671 597 HB2 LEU 80 1HB LEU 80 0.942 2.068 -9.087 598 HB3 LEU 80 2HB LEU 80 2.192 2.847 -10.056 599 HG LEU 80 HG LEU 80 2.777 0.535 -8.221 600 HD11 LEU 80 1HD1 LEU 80 2.772 -0.783 -10.407 601 HD12 LEU 80 2HD1 LEU 80 1.797 0.535 -11.057 602 HD13 LEU 80 3HD1 LEU 80 1.210 -0.401 -9.683 603 HD21 LEU 80 1HD2 LEU 80 4.328 0.958 -10.665 604 HD22 LEU 80 2HD2 LEU 80 4.868 0.631 -9.018 605 HD23 LEU 80 3HD2 LEU 80 4.447 2.275 -9.498 606 H ASN 81 H ASN 81 0.341 4.748 -7.598 607 HA ASN 81 HA ASN 81 0.879 6.764 -9.485 608 HB2 ASN 81 1HB ASN 81 -1.359 6.612 -8.794 609 HB3 ASN 81 2HB ASN 81 -0.927 6.598 -7.086 610 HD21 ASN 81 1HD2 ASN 81 -2.383 8.273 -6.675 611 HD22 ASN 81 2HD2 ASN 81 -2.034 9.907 -7.115 612 H LEU 82 H LEU 82 1.409 6.650 -5.973 613 HA LEU 82 HA LEU 82 2.630 9.236 -5.883 614 HB2 LEU 82 1HB LEU 82 2.782 7.019 -3.849 615 HB3 LEU 82 2HB LEU 82 3.121 8.727 -3.577 616 HG LEU 82 HG LEU 82 0.400 7.722 -4.379 617 HD11 LEU 82 1HD1 LEU 82 0.195 6.800 -2.370 618 HD12 LEU 82 2HD1 LEU 82 0.325 8.422 -1.691 619 HD13 LEU 82 3HD1 LEU 82 1.765 7.417 -1.854 620 HD21 LEU 82 1HD2 LEU 82 -0.002 9.950 -2.950 621 HD22 LEU 82 2HD2 LEU 82 0.256 9.958 -4.695 622 HD23 LEU 82 3HD2 LEU 82 1.596 10.311 -3.603 623 H GLU 83 H GLU 83 3.781 5.921 -6.104 624 HA GLU 83 HA GLU 83 6.457 6.223 -5.524 625 HB2 GLU 83 1HB GLU 83 5.481 4.049 -5.971 626 HB3 GLU 83 2HB GLU 83 5.175 4.494 -7.644 627 HG2 GLU 83 1HG GLU 83 7.788 4.880 -7.645 628 HG3 GLU 83 2HG GLU 83 7.712 3.724 -6.316 629 H GLU 84 H GLU 84 4.768 6.945 -8.541 630 HA GLU 84 HA GLU 84 7.121 7.602 -10.008 631 HB2 GLU 84 1HB GLU 84 4.182 8.030 -10.443 632 HB3 GLU 84 2HB GLU 84 5.357 8.797 -11.502 633 HG2 GLU 84 1HG GLU 84 5.164 5.837 -10.998 634 HG3 GLU 84 2HG GLU 84 4.491 6.677 -12.394 635 H GLU 85 H GLU 85 4.677 9.514 -8.293 636 HA GLU 85 HA GLU 85 5.584 12.058 -8.969 637 HB2 GLU 85 1HB GLU 85 3.460 11.724 -7.850 638 HB3 GLU 85 2HB GLU 85 4.272 11.098 -6.422 639 HG2 GLU 85 1HG GLU 85 3.548 13.365 -6.045 640 HG3 GLU 85 2HG GLU 85 5.309 13.285 -6.058 641 H TYR 86 H TYR 86 6.465 10.035 -6.181 642 HA TYR 86 HA TYR 86 8.329 11.873 -5.101 643 HB2 TYR 86 1HB TYR 86 8.000 8.894 -4.724 644 HB3 TYR 86 2HB TYR 86 9.149 9.867 -3.813 645 HD1 TYR 86 2HD TYR 86 7.714 12.253 -3.112 646 HD2 TYR 86 1HD TYR 86 6.282 8.251 -3.321 647 HE1 TYR 86 2HE TYR 86 5.959 12.801 -1.478 648 HE2 TYR 86 1HE TYR 86 4.523 8.789 -1.688 649 HH TYR 86 HH TYR 86 3.805 12.009 -0.755 650 H LEU 87 H LEU 87 8.747 8.944 -7.076 651 HA LEU 87 HA LEU 87 11.508 8.920 -7.244 652 HB2 LEU 87 1HB LEU 87 9.323 8.002 -9.057 653 HB3 LEU 87 2HB LEU 87 10.993 7.942 -9.620 654 HG LEU 87 HG LEU 87 9.955 6.554 -7.150 655 HD11 LEU 87 1HD1 LEU 87 10.699 5.334 -9.799 656 HD12 LEU 87 2HD1 LEU 87 9.041 5.683 -9.309 657 HD13 LEU 87 3HD1 LEU 87 10.005 4.524 -8.394 658 HD21 LEU 87 1HD2 LEU 87 12.072 6.131 -6.639 659 HD22 LEU 87 2HD2 LEU 87 12.562 7.241 -7.919 660 HD23 LEU 87 3HD2 LEU 87 12.389 5.520 -8.263 661 H ALA 88 H ALA 88 9.178 10.841 -9.043 662 HA ALA 88 HA ALA 88 10.748 11.824 -11.091 663 HB1 ALA 88 1HB ALA 88 9.162 13.974 -10.144 664 HB2 ALA 88 2HB ALA 88 8.854 12.897 -11.507 665 HB3 ALA 88 3HB ALA 88 8.253 12.482 -9.902 666 H ASP 89 H ASP 89 10.943 12.473 -7.707 667 HA ASP 89 HA ASP 89 12.706 14.773 -8.150 668 HB2 ASP 89 1HB ASP 89 10.869 14.979 -6.482 669 HB3 ASP 89 2HB ASP 89 11.617 13.688 -5.545 670 H SER 90 H SER 90 14.067 12.823 -9.090 671 HA SER 90 HA SER 90 15.763 11.778 -6.919 672 HB2 SER 90 1HB SER 90 14.598 10.077 -8.359 673 HB3 SER 90 2HB SER 90 15.529 10.681 -9.729 674 HG SER 90 HG SER 90 17.299 9.783 -8.947 675 H GLY 91 H GLY 91 16.133 14.396 -7.778 676 HA2 GLY 91 1HA GLY 91 18.890 14.295 -8.561 677 HA3 GLY 91 2HA GLY 91 17.860 14.932 -9.835 678 HA PRO 92 HA PRO 92 18.911 18.093 -6.354 679 HB2 PRO 92 1HB PRO 92 21.240 19.139 -7.276 680 HB3 PRO 92 2HB PRO 92 21.178 17.789 -6.137 681 HG2 PRO 92 1HG PRO 92 21.588 17.748 -9.102 682 HG3 PRO 92 2HG PRO 92 22.427 16.822 -7.844 683 HD2 PRO 92 1HD PRO 92 20.447 15.763 -9.356 684 HD3 PRO 92 2HD PRO 92 20.727 15.276 -7.672 685 H SER 93 H SER 93 17.613 19.753 -6.795 686 HA SER 93 HA SER 93 17.998 21.207 -9.325 687 HB2 SER 93 1HB SER 93 15.567 21.575 -9.449 688 HB3 SER 93 2HB SER 93 15.952 19.854 -9.480 689 HG SER 93 HG SER 93 15.630 20.141 -7.040 690 H SER 94 H SER 94 19.244 22.780 -8.295 691 HA SER 94 HA SER 94 18.504 24.105 -5.918 692 HB2 SER 94 1HB SER 94 20.803 24.126 -6.829 693 HB3 SER 94 2HB SER 94 20.250 25.122 -8.175 694 HG SER 94 HG SER 94 19.436 26.472 -6.209 695 H GLY 95 H GLY 95 16.959 25.547 -5.549 696 HA2 GLY 95 1HA GLY 95 16.234 27.830 -6.551 697 HA3 GLY 95 2HA GLY 95 15.648 26.810 -7.857 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -29.154 17.316 -6.798 2 HA2 GLY 1 1HA GLY 1 -26.662 16.923 -5.519 3 HA3 GLY 1 2HA GLY 1 -27.942 16.234 -4.531 4 H SER 2 H SER 2 -26.374 14.361 -5.148 5 HA SER 2 HA SER 2 -27.319 13.130 -7.652 6 HB2 SER 2 1HB SER 2 -24.875 13.498 -7.546 7 HB3 SER 2 2HB SER 2 -24.800 12.513 -6.086 8 HG SER 2 HG SER 2 -25.710 10.791 -7.399 9 H SER 3 H SER 3 -27.619 10.786 -7.617 10 HA SER 3 HA SER 3 -28.544 9.850 -4.979 11 HB2 SER 3 1HB SER 3 -29.653 9.153 -7.710 12 HB3 SER 3 2HB SER 3 -30.237 8.517 -6.173 13 HG SER 3 HG SER 3 -31.435 10.226 -6.063 14 H GLY 4 H GLY 4 -28.082 7.757 -4.353 15 HA2 GLY 4 1HA GLY 4 -26.927 5.812 -6.074 16 HA3 GLY 4 2HA GLY 4 -25.678 6.628 -5.144 17 H SER 5 H SER 5 -25.884 3.992 -4.785 18 HA SER 5 HA SER 5 -27.427 3.639 -2.305 19 HB2 SER 5 1HB SER 5 -26.252 1.490 -4.083 20 HB3 SER 5 2HB SER 5 -27.343 1.252 -2.717 21 HG SER 5 HG SER 5 -28.972 1.720 -3.959 22 H SER 6 H SER 6 -26.446 2.608 -0.510 23 HA SER 6 HA SER 6 -23.502 2.751 -0.516 24 HB2 SER 6 1HB SER 6 -23.691 3.316 1.917 25 HB3 SER 6 2HB SER 6 -24.382 4.540 0.851 26 HG SER 6 HG SER 6 -25.847 4.167 2.475 27 H GLY 7 H GLY 7 -22.470 0.917 -0.081 28 HA2 GLY 7 1HA GLY 7 -23.563 -1.019 1.772 29 HA3 GLY 7 2HA GLY 7 -23.516 -1.565 0.102 30 H ARG 8 H ARG 8 -21.335 0.140 2.356 31 HA ARG 8 HA ARG 8 -19.042 -1.179 1.184 32 HB2 ARG 8 1HB ARG 8 -19.484 0.998 3.162 33 HB3 ARG 8 2HB ARG 8 -17.975 0.101 3.274 34 HG2 ARG 8 1HG ARG 8 -18.922 1.333 0.706 35 HG3 ARG 8 2HG ARG 8 -17.956 2.219 1.887 36 HD2 ARG 8 1HD ARG 8 -16.321 1.397 0.493 37 HD3 ARG 8 2HD ARG 8 -16.383 0.142 1.730 38 HE ARG 8 HE ARG 8 -17.047 -1.319 0.117 39 HH11 ARG 8 1HH1 ARG 8 -17.780 1.911 -0.955 40 HH12 ARG 8 2HH1 ARG 8 -18.332 1.407 -2.518 41 HH21 ARG 8 1HH2 ARG 8 -17.771 -1.995 -1.938 42 HH22 ARG 8 2HH2 ARG 8 -18.327 -0.815 -3.076 43 H ILE 9 H ILE 9 -17.423 -2.253 2.596 44 HA ILE 9 HA ILE 9 -18.245 -3.369 5.093 45 HB ILE 9 HB ILE 9 -18.022 -5.781 4.174 46 HG12 ILE 9 1HG1 ILE 9 -19.123 -4.469 1.691 47 HG13 ILE 9 2HG1 ILE 9 -17.420 -4.881 1.858 48 HG21 ILE 9 1HG2 ILE 9 -20.097 -4.379 5.021 49 HG22 ILE 9 2HG2 ILE 9 -20.602 -4.569 3.343 50 HG23 ILE 9 3HG2 ILE 9 -20.287 -5.992 4.335 51 HD11 ILE 9 1HD1 ILE 9 -19.573 -6.527 1.042 52 HD12 ILE 9 2HD1 ILE 9 -17.861 -6.931 1.175 53 HD13 ILE 9 3HD1 ILE 9 -18.933 -7.167 2.555 54 H VAL 10 H VAL 10 -16.657 -5.237 5.699 55 HA VAL 10 HA VAL 10 -13.972 -4.368 4.863 56 HB VAL 10 HB VAL 10 -14.705 -5.850 7.389 57 HG11 VAL 10 1HG1 VAL 10 -12.487 -5.267 8.134 58 HG12 VAL 10 2HG1 VAL 10 -12.376 -6.100 6.583 59 HG13 VAL 10 3HG1 VAL 10 -12.194 -4.347 6.659 60 HG21 VAL 10 1HG2 VAL 10 -15.633 -3.893 7.995 61 HG22 VAL 10 2HG2 VAL 10 -13.962 -3.369 8.204 62 HG23 VAL 10 3HG2 VAL 10 -14.824 -2.994 6.712 63 H GLY 11 H GLY 11 -15.991 -7.197 5.489 64 HA2 GLY 11 1HA GLY 11 -15.875 -9.191 4.228 65 HA3 GLY 11 2HA GLY 11 -14.246 -8.756 3.733 66 H GLU 12 H GLU 12 -14.045 -11.138 4.307 67 HA GLU 12 HA GLU 12 -13.567 -11.472 7.191 68 HB2 GLU 12 1HB GLU 12 -14.263 -13.398 5.001 69 HB3 GLU 12 2HB GLU 12 -13.439 -13.971 6.444 70 HG2 GLU 12 1HG GLU 12 -15.271 -13.008 7.809 71 HG3 GLU 12 2HG GLU 12 -16.114 -12.601 6.315 72 H LEU 13 H LEU 13 -11.580 -12.002 7.950 73 HA LEU 13 HA LEU 13 -9.278 -11.248 6.755 74 HB2 LEU 13 1HB LEU 13 -9.765 -13.470 8.715 75 HB3 LEU 13 2HB LEU 13 -8.140 -13.019 8.203 76 HG LEU 13 HG LEU 13 -10.066 -11.107 9.514 77 HD11 LEU 13 1HD1 LEU 13 -9.455 -13.072 10.954 78 HD12 LEU 13 2HD1 LEU 13 -8.976 -11.498 11.585 79 HD13 LEU 13 3HD1 LEU 13 -7.776 -12.548 10.832 80 HD21 LEU 13 1HD2 LEU 13 -8.488 -9.812 8.435 81 HD22 LEU 13 2HD2 LEU 13 -7.204 -11.001 8.657 82 HD23 LEU 13 3HD2 LEU 13 -7.754 -10.031 10.024 83 H GLU 14 H GLU 14 -10.517 -14.592 6.720 84 HA GLU 14 HA GLU 14 -8.532 -15.660 5.061 85 HB2 GLU 14 1HB GLU 14 -11.387 -16.481 5.568 86 HB3 GLU 14 2HB GLU 14 -10.313 -17.407 4.529 87 HG2 GLU 14 1HG GLU 14 -8.792 -17.774 6.377 88 HG3 GLU 14 2HG GLU 14 -9.800 -16.780 7.427 89 H GLN 15 H GLN 15 -11.645 -14.174 4.282 90 HA GLN 15 HA GLN 15 -11.681 -14.707 1.541 91 HB2 GLN 15 1HB GLN 15 -12.859 -12.471 3.178 92 HB3 GLN 15 2HB GLN 15 -13.109 -12.585 1.441 93 HG2 GLN 15 1HG GLN 15 -13.742 -14.906 3.210 94 HG3 GLN 15 2HG GLN 15 -14.874 -13.564 3.053 95 HE21 GLN 15 1HE2 GLN 15 -15.282 -12.922 0.706 96 HE22 GLN 15 2HE2 GLN 15 -15.560 -14.223 -0.395 97 H MET 16 H MET 16 -10.015 -12.239 3.383 98 HA MET 16 HA MET 16 -9.336 -10.488 1.314 99 HB2 MET 16 1HB MET 16 -7.676 -11.168 3.746 100 HB3 MET 16 2HB MET 16 -7.542 -9.713 2.768 101 HG2 MET 16 1HG MET 16 -9.868 -9.135 3.414 102 HG3 MET 16 2HG MET 16 -9.863 -10.524 4.499 103 HE1 MET 16 1HE MET 16 -9.968 -6.900 5.361 104 HE2 MET 16 2HE MET 16 -10.800 -8.409 5.738 105 HE3 MET 16 3HE MET 16 -9.786 -7.632 6.956 106 H VAL 17 H VAL 17 -7.348 -10.229 0.158 107 HA VAL 17 HA VAL 17 -5.867 -12.748 -0.240 108 HB VAL 17 HB VAL 17 -5.583 -12.076 -2.624 109 HG11 VAL 17 1HG1 VAL 17 -8.511 -12.221 -2.298 110 HG12 VAL 17 2HG1 VAL 17 -7.418 -13.247 -3.229 111 HG13 VAL 17 3HG1 VAL 17 -7.577 -13.477 -1.487 112 HG21 VAL 17 1HG2 VAL 17 -7.882 -10.199 -2.309 113 HG22 VAL 17 2HG2 VAL 17 -6.244 -9.625 -1.994 114 HG23 VAL 17 3HG2 VAL 17 -6.660 -10.277 -3.579 115 H SER 18 H SER 18 -3.678 -12.623 -0.392 116 HA SER 18 HA SER 18 -2.486 -10.026 0.238 117 HB2 SER 18 1HB SER 18 -1.535 -12.869 0.523 118 HB3 SER 18 2HB SER 18 -0.414 -11.513 0.642 119 HG SER 18 HG SER 18 -1.063 -11.746 2.682 120 H GLU 19 H GLU 19 -1.901 -8.870 -1.478 121 HA GLU 19 HA GLU 19 -0.781 -10.263 -3.812 122 HB2 GLU 19 1HB GLU 19 -2.273 -7.699 -3.462 123 HB3 GLU 19 2HB GLU 19 -1.147 -7.843 -4.804 124 HG2 GLU 19 1HG GLU 19 -2.346 -9.735 -5.675 125 HG3 GLU 19 2HG GLU 19 -3.411 -9.751 -4.271 126 H ASP 20 H ASP 20 0.984 -9.131 -4.966 127 HA ASP 20 HA ASP 20 2.796 -7.796 -3.062 128 HB2 ASP 20 1HB ASP 20 4.665 -8.829 -4.196 129 HB3 ASP 20 2HB ASP 20 3.515 -10.083 -3.739 130 H VAL 21 H VAL 21 3.007 -5.713 -3.516 131 HA VAL 21 HA VAL 21 2.809 -4.836 -6.315 132 HB VAL 21 HB VAL 21 2.779 -2.919 -4.021 133 HG11 VAL 21 1HG1 VAL 21 2.582 -1.610 -5.832 134 HG12 VAL 21 2HG1 VAL 21 2.074 -2.947 -6.865 135 HG13 VAL 21 3HG1 VAL 21 0.899 -2.137 -5.829 136 HG21 VAL 21 1HG2 VAL 21 0.423 -4.574 -4.922 137 HG22 VAL 21 2HG2 VAL 21 1.196 -4.623 -3.338 138 HG23 VAL 21 3HG2 VAL 21 0.332 -3.175 -3.852 139 HA PRO 22 HA PRO 22 7.213 -4.195 -6.143 140 HB2 PRO 22 1HB PRO 22 7.437 -3.133 -8.632 141 HB3 PRO 22 2HB PRO 22 7.238 -4.865 -8.341 142 HG2 PRO 22 1HG PRO 22 5.189 -2.828 -9.122 143 HG3 PRO 22 2HG PRO 22 5.418 -4.476 -9.734 144 HD2 PRO 22 1HD PRO 22 3.526 -3.852 -7.900 145 HD3 PRO 22 2HD PRO 22 4.341 -5.429 -7.933 146 H LEU 23 H LEU 23 7.429 -2.564 -4.621 147 HA LEU 23 HA LEU 23 7.124 0.188 -5.630 148 HB2 LEU 23 1HB LEU 23 5.663 -0.584 -3.684 149 HB3 LEU 23 2HB LEU 23 7.144 -0.591 -2.729 150 HG LEU 23 HG LEU 23 7.391 1.857 -3.363 151 HD11 LEU 23 1HD1 LEU 23 4.799 2.638 -3.702 152 HD12 LEU 23 2HD1 LEU 23 4.882 1.194 -4.711 153 HD13 LEU 23 3HD1 LEU 23 6.004 2.527 -4.985 154 HD21 LEU 23 1HD2 LEU 23 6.283 2.496 -1.461 155 HD22 LEU 23 2HD2 LEU 23 6.387 0.754 -1.202 156 HD23 LEU 23 3HD2 LEU 23 4.887 1.471 -1.795 157 H ASP 24 H ASP 24 8.942 1.294 -5.883 158 HA ASP 24 HA ASP 24 11.484 0.277 -5.430 159 HB2 ASP 24 1HB ASP 24 10.751 2.256 -6.907 160 HB3 ASP 24 2HB ASP 24 10.914 3.233 -5.450 161 H HIS 25 H HIS 25 13.117 0.803 -3.915 162 HA HIS 25 HA HIS 25 12.135 1.043 -1.223 163 HB2 HIS 25 1HB HIS 25 13.942 -0.496 -1.629 164 HB3 HIS 25 2HB HIS 25 14.926 0.774 -2.350 165 HD1 HIS 25 1HD HIS 25 16.827 0.483 -0.653 166 HD2 HIS 25 2HD HIS 25 13.167 1.411 1.079 167 HE1 HIS 25 1HE HIS 25 17.344 1.070 1.737 168 H ARG 26 H ARG 26 13.135 3.224 -3.598 169 HA ARG 26 HA ARG 26 14.253 5.210 -1.841 170 HB2 ARG 26 1HB ARG 26 13.350 5.352 -4.722 171 HB3 ARG 26 2HB ARG 26 14.132 6.673 -3.864 172 HG2 ARG 26 1HG ARG 26 16.077 5.140 -3.472 173 HG3 ARG 26 2HG ARG 26 15.300 3.994 -4.567 174 HD2 ARG 26 1HD ARG 26 15.690 6.808 -5.464 175 HD3 ARG 26 2HD ARG 26 17.080 5.725 -5.441 176 HE ARG 26 HE ARG 26 15.040 5.763 -7.372 177 HH11 ARG 26 1HH1 ARG 26 16.914 3.514 -5.487 178 HH12 ARG 26 2HH1 ARG 26 16.813 2.244 -6.662 179 HH21 ARG 26 1HH2 ARG 26 14.900 4.099 -8.926 180 HH22 ARG 26 2HH2 ARG 26 15.667 2.578 -8.617 181 H VAL 27 H VAL 27 11.110 4.404 -3.087 182 HA VAL 27 HA VAL 27 9.983 6.901 -2.035 183 HB VAL 27 HB VAL 27 7.978 6.401 -3.259 184 HG11 VAL 27 1HG1 VAL 27 10.437 5.879 -4.924 185 HG12 VAL 27 2HG1 VAL 27 8.853 6.313 -5.569 186 HG13 VAL 27 3HG1 VAL 27 9.731 7.450 -4.546 187 HG21 VAL 27 1HG2 VAL 27 8.590 4.131 -4.787 188 HG22 VAL 27 2HG2 VAL 27 8.963 3.706 -3.117 189 HG23 VAL 27 3HG2 VAL 27 7.352 4.286 -3.541 190 H HIS 28 H HIS 28 10.509 3.720 -1.133 191 HA HIS 28 HA HIS 28 8.247 2.845 0.141 192 HB2 HIS 28 1HB HIS 28 11.159 2.527 0.663 193 HB3 HIS 28 2HB HIS 28 10.051 2.025 1.936 194 HD2 HIS 28 2HD HIS 28 8.547 1.284 -1.471 195 HE1 HIS 28 1HE HIS 28 10.458 -2.283 -0.194 196 HE2 HIS 28 2HE HIS 28 8.951 -1.232 -1.917 197 H ALA 29 H ALA 29 10.849 4.463 1.960 198 HA ALA 29 HA ALA 29 9.358 5.049 4.219 199 HB1 ALA 29 1HB ALA 29 11.341 7.096 3.584 200 HB2 ALA 29 2HB ALA 29 11.243 5.997 4.960 201 HB3 ALA 29 3HB ALA 29 11.951 5.447 3.441 202 H ARG 30 H ARG 30 9.736 6.908 1.243 203 HA ARG 30 HA ARG 30 8.597 9.311 2.003 204 HB2 ARG 30 1HB ARG 30 8.798 7.828 -0.576 205 HB3 ARG 30 2HB ARG 30 7.728 9.222 -0.504 206 HG2 ARG 30 1HG ARG 30 10.162 9.548 -1.278 207 HG3 ARG 30 2HG ARG 30 9.466 10.703 -0.139 208 HD2 ARG 30 1HD ARG 30 10.643 9.794 1.673 209 HD3 ARG 30 2HD ARG 30 11.013 8.309 0.798 210 HE ARG 30 HE ARG 30 12.154 10.699 -0.349 211 HH11 ARG 30 1HH1 ARG 30 12.591 8.066 1.886 212 HH12 ARG 30 2HH1 ARG 30 14.320 8.168 1.871 213 HH21 ARG 30 1HH2 ARG 30 14.430 10.843 -0.378 214 HH22 ARG 30 2HH2 ARG 30 15.365 9.749 0.584 215 H ILE 31 H ILE 31 7.036 6.292 1.085 216 HA ILE 31 HA ILE 31 4.387 7.461 1.240 217 HB ILE 31 HB ILE 31 5.347 4.655 0.710 218 HG12 ILE 31 1HG1 ILE 31 3.706 6.447 -1.070 219 HG13 ILE 31 2HG1 ILE 31 5.464 6.531 -1.044 220 HG21 ILE 31 1HG2 ILE 31 3.289 4.506 1.987 221 HG22 ILE 31 2HG2 ILE 31 2.505 5.644 0.893 222 HG23 ILE 31 3HG2 ILE 31 2.999 4.056 0.307 223 HD11 ILE 31 1HD1 ILE 31 4.122 5.012 -2.754 224 HD12 ILE 31 2HD1 ILE 31 5.707 4.560 -2.126 225 HD13 ILE 31 3HD1 ILE 31 4.247 3.864 -1.422 226 H ILE 32 H ILE 32 6.268 5.021 3.017 227 HA ILE 32 HA ILE 32 4.489 4.219 4.916 228 HB ILE 32 HB ILE 32 7.398 4.878 5.388 229 HG12 ILE 32 1HG1 ILE 32 6.162 2.186 4.809 230 HG13 ILE 32 2HG1 ILE 32 6.796 3.229 3.541 231 HG21 ILE 32 1HG2 ILE 32 5.911 4.617 7.431 232 HG22 ILE 32 2HG2 ILE 32 5.722 2.933 6.947 233 HG23 ILE 32 3HG2 ILE 32 7.322 3.563 7.338 234 HD11 ILE 32 1HD1 ILE 32 8.485 2.417 5.873 235 HD12 ILE 32 2HD1 ILE 32 8.302 1.384 4.455 236 HD13 ILE 32 3HD1 ILE 32 8.986 3.000 4.286 237 H GLY 33 H GLY 33 6.547 7.122 5.113 238 HA2 GLY 33 1HA GLY 33 5.697 9.196 5.962 239 HA3 GLY 33 2HA GLY 33 4.558 8.286 6.943 240 H ALA 34 H ALA 34 5.802 10.168 8.272 241 HA ALA 34 HA ALA 34 8.339 9.502 9.340 242 HB1 ALA 34 1HB ALA 34 6.183 11.261 10.503 243 HB2 ALA 34 2HB ALA 34 7.870 11.213 11.018 244 HB3 ALA 34 3HB ALA 34 7.458 11.776 9.398 245 H ARG 35 H ARG 35 5.107 9.340 10.853 246 HA ARG 35 HA ARG 35 6.169 7.320 12.707 247 HB2 ARG 35 1HB ARG 35 3.965 9.339 12.910 248 HB3 ARG 35 2HB ARG 35 3.912 7.890 13.905 249 HG2 ARG 35 1HG ARG 35 5.899 8.464 15.030 250 HG3 ARG 35 2HG ARG 35 6.295 9.713 13.847 251 HD2 ARG 35 1HD ARG 35 5.471 10.991 15.567 252 HD3 ARG 35 2HD ARG 35 4.011 10.735 14.613 253 HE ARG 35 HE ARG 35 3.138 9.524 16.345 254 HH11 ARG 35 1HH1 ARG 35 6.577 9.826 16.792 255 HH12 ARG 35 2HH1 ARG 35 6.565 9.124 18.376 256 HH21 ARG 35 1HH2 ARG 35 3.108 8.599 18.430 257 HH22 ARG 35 2HH2 ARG 35 4.591 8.426 19.306 258 H GLY 36 H GLY 36 4.985 7.118 9.851 259 HA2 GLY 36 1HA GLY 36 3.987 5.317 8.782 260 HA3 GLY 36 2HA GLY 36 3.581 4.647 10.355 261 H LYS 37 H LYS 37 2.721 7.913 9.509 262 HA LYS 37 HA LYS 37 -0.089 7.231 9.802 263 HB2 LYS 37 1HB LYS 37 1.499 9.761 9.807 264 HB3 LYS 37 2HB LYS 37 -0.217 9.847 9.431 265 HG2 LYS 37 1HG LYS 37 0.664 8.371 11.864 266 HG3 LYS 37 2HG LYS 37 0.626 10.136 11.883 267 HD2 LYS 37 1HD LYS 37 -1.733 8.525 10.961 268 HD3 LYS 37 2HD LYS 37 -1.468 8.877 12.670 269 HE2 LYS 37 1HE LYS 37 -1.185 11.338 11.744 270 HE3 LYS 37 2HE LYS 37 -2.179 10.704 10.433 271 HZ1 LYS 37 1HZ LYS 37 -3.976 10.510 11.764 272 HZ2 LYS 37 2HZ LYS 37 -3.208 11.747 12.624 273 HZ3 LYS 37 3HZ LYS 37 -3.075 10.144 13.148 274 H ALA 38 H ALA 38 2.007 8.801 7.398 275 HA ALA 38 HA ALA 38 0.202 9.416 5.437 276 HB1 ALA 38 1HB ALA 38 2.437 10.061 5.101 277 HB2 ALA 38 2HB ALA 38 3.022 8.401 5.224 278 HB3 ALA 38 3HB ALA 38 2.091 8.905 3.814 279 H ILE 39 H ILE 39 1.652 6.254 6.093 280 HA ILE 39 HA ILE 39 0.341 4.982 3.877 281 HB ILE 39 HB ILE 39 2.487 4.144 4.746 282 HG12 ILE 39 1HG1 ILE 39 1.766 1.705 4.950 283 HG13 ILE 39 2HG1 ILE 39 0.109 2.289 4.853 284 HG21 ILE 39 1HG2 ILE 39 1.573 4.586 7.199 285 HG22 ILE 39 2HG2 ILE 39 1.165 2.876 7.077 286 HG23 ILE 39 3HG2 ILE 39 2.836 3.400 6.867 287 HD11 ILE 39 1HD1 ILE 39 1.472 1.486 2.728 288 HD12 ILE 39 2HD1 ILE 39 0.266 2.772 2.648 289 HD13 ILE 39 3HD1 ILE 39 1.980 3.175 2.742 290 H ARG 40 H ARG 40 -0.378 5.566 7.227 291 HA ARG 40 HA ARG 40 -2.280 3.573 7.696 292 HB2 ARG 40 1HB ARG 40 -1.311 5.087 9.424 293 HB3 ARG 40 2HB ARG 40 -2.304 6.391 8.787 294 HG2 ARG 40 1HG ARG 40 -3.575 5.674 10.552 295 HG3 ARG 40 2HG ARG 40 -4.267 4.734 9.229 296 HD2 ARG 40 1HD ARG 40 -2.972 2.804 9.858 297 HD3 ARG 40 2HD ARG 40 -2.112 3.735 11.084 298 HE ARG 40 HE ARG 40 -4.729 3.958 11.797 299 HH11 ARG 40 1HH1 ARG 40 -2.593 1.285 11.155 300 HH12 ARG 40 2HH1 ARG 40 -3.395 0.211 12.252 301 HH21 ARG 40 1HH2 ARG 40 -5.793 2.554 13.245 302 HH22 ARG 40 2HH2 ARG 40 -5.216 0.934 13.440 303 H LYS 41 H LYS 41 -2.790 6.931 6.613 304 HA LYS 41 HA LYS 41 -5.545 6.803 6.264 305 HB2 LYS 41 1HB LYS 41 -5.360 8.786 4.984 306 HB3 LYS 41 2HB LYS 41 -4.053 8.853 6.158 307 HG2 LYS 41 1HG LYS 41 -2.423 8.439 4.557 308 HG3 LYS 41 2HG LYS 41 -3.584 7.773 3.407 309 HD2 LYS 41 1HD LYS 41 -3.029 9.907 2.576 310 HD3 LYS 41 2HD LYS 41 -4.613 10.096 3.330 311 HE2 LYS 41 1HE LYS 41 -2.186 10.598 4.977 312 HE3 LYS 41 2HE LYS 41 -2.650 11.806 3.780 313 HZ1 LYS 41 1HZ LYS 41 -4.007 11.008 6.238 314 HZ2 LYS 41 2HZ LYS 41 -4.984 11.430 4.924 315 HZ3 LYS 41 3HZ LYS 41 -3.860 12.538 5.532 316 H ILE 42 H ILE 42 -2.960 5.629 4.240 317 HA ILE 42 HA ILE 42 -4.544 5.240 1.897 318 HB ILE 42 HB ILE 42 -1.899 4.037 2.712 319 HG12 ILE 42 1HG1 ILE 42 -2.550 6.213 0.714 320 HG13 ILE 42 2HG1 ILE 42 -1.947 6.499 2.343 321 HG21 ILE 42 1HG2 ILE 42 -3.651 3.536 0.398 322 HG22 ILE 42 2HG2 ILE 42 -1.947 3.796 0.031 323 HG23 ILE 42 3HG2 ILE 42 -2.424 2.509 1.138 324 HD11 ILE 42 1HD1 ILE 42 -0.535 5.330 -0.013 325 HD12 ILE 42 2HD1 ILE 42 -0.050 6.660 1.040 326 HD13 ILE 42 3HD1 ILE 42 0.022 4.999 1.628 327 H MET 43 H MET 43 -3.556 3.189 4.600 328 HA MET 43 HA MET 43 -4.610 0.774 3.574 329 HB2 MET 43 1HB MET 43 -3.778 1.729 6.286 330 HB3 MET 43 2HB MET 43 -4.647 0.207 6.137 331 HG2 MET 43 1HG MET 43 -2.895 -0.500 4.475 332 HG3 MET 43 2HG MET 43 -1.989 0.936 4.947 333 HE1 MET 43 1HE MET 43 -0.642 0.317 8.335 334 HE2 MET 43 2HE MET 43 0.109 0.377 6.741 335 HE3 MET 43 3HE MET 43 -1.201 1.488 7.141 336 H ASP 44 H ASP 44 -5.898 3.003 6.043 337 HA ASP 44 HA ASP 44 -8.361 1.723 6.385 338 HB2 ASP 44 1HB ASP 44 -7.391 4.520 6.870 339 HB3 ASP 44 2HB ASP 44 -9.095 4.131 7.086 340 H GLU 45 H GLU 45 -7.303 4.114 4.038 341 HA GLU 45 HA GLU 45 -9.701 4.978 2.998 342 HB2 GLU 45 1HB GLU 45 -7.592 5.903 2.256 343 HB3 GLU 45 2HB GLU 45 -7.124 4.365 1.544 344 HG2 GLU 45 1HG GLU 45 -7.807 5.506 -0.309 345 HG3 GLU 45 2HG GLU 45 -9.303 4.688 0.140 346 H PHE 46 H PHE 46 -7.820 2.157 1.896 347 HA PHE 46 HA PHE 46 -10.219 1.170 0.522 348 HB2 PHE 46 1HB PHE 46 -7.407 0.107 0.249 349 HB3 PHE 46 2HB PHE 46 -8.777 -0.187 -0.817 350 HD1 PHE 46 2HD PHE 46 -9.512 1.504 -2.395 351 HD2 PHE 46 1HD PHE 46 -6.155 2.157 0.138 352 HE1 PHE 46 2HE PHE 46 -8.829 3.406 -3.798 353 HE2 PHE 46 1HE PHE 46 -5.466 4.061 -1.260 354 HZ PHE 46 HZ PHE 46 -6.803 4.687 -3.232 355 H LYS 47 H LYS 47 -8.965 0.925 3.462 356 HA LYS 47 HA LYS 47 -9.065 -0.580 5.165 357 HB2 LYS 47 1HB LYS 47 -11.047 -2.002 3.379 358 HB3 LYS 47 2HB LYS 47 -10.880 -2.202 5.119 359 HG2 LYS 47 1HG LYS 47 -11.617 0.402 3.806 360 HG3 LYS 47 2HG LYS 47 -12.796 -0.774 4.392 361 HD2 LYS 47 1HD LYS 47 -11.400 -0.587 6.611 362 HD3 LYS 47 2HD LYS 47 -10.919 0.967 5.924 363 HE2 LYS 47 1HE LYS 47 -13.808 0.268 5.929 364 HE3 LYS 47 2HE LYS 47 -13.061 0.715 7.462 365 HZ1 LYS 47 1HZ LYS 47 -13.537 2.345 5.081 366 HZ2 LYS 47 2HZ LYS 47 -12.154 2.680 5.995 367 HZ3 LYS 47 3HZ LYS 47 -13.683 2.754 6.716 368 H VAL 48 H VAL 48 -6.910 -0.946 3.523 369 HA VAL 48 HA VAL 48 -6.672 -3.882 3.384 370 HB VAL 48 HB VAL 48 -4.898 -3.531 1.679 371 HG11 VAL 48 1HG1 VAL 48 -7.739 -2.761 1.247 372 HG12 VAL 48 2HG1 VAL 48 -6.604 -2.586 -0.093 373 HG13 VAL 48 3HG1 VAL 48 -6.847 -4.163 0.659 374 HG21 VAL 48 1HG2 VAL 48 -4.310 -1.487 0.842 375 HG22 VAL 48 2HG2 VAL 48 -5.871 -0.758 1.218 376 HG23 VAL 48 3HG2 VAL 48 -4.692 -1.029 2.501 377 H ASP 49 H ASP 49 -4.581 -4.773 3.894 378 HA ASP 49 HA ASP 49 -3.115 -3.114 5.834 379 HB2 ASP 49 1HB ASP 49 -3.633 -6.075 5.691 380 HB3 ASP 49 2HB ASP 49 -2.314 -5.425 6.662 381 H ILE 50 H ILE 50 -1.493 -2.208 4.679 382 HA ILE 50 HA ILE 50 -0.001 -3.746 2.734 383 HB ILE 50 HB ILE 50 0.480 -0.940 3.742 384 HG12 ILE 50 1HG1 ILE 50 -0.770 -1.775 1.125 385 HG13 ILE 50 2HG1 ILE 50 -1.725 -1.409 2.557 386 HG21 ILE 50 1HG2 ILE 50 1.919 -2.687 1.888 387 HG22 ILE 50 2HG2 ILE 50 1.548 -1.091 1.238 388 HG23 ILE 50 3HG2 ILE 50 2.461 -1.240 2.739 389 HD11 ILE 50 1HD1 ILE 50 0.189 0.503 1.244 390 HD12 ILE 50 2HD1 ILE 50 -1.555 0.475 0.981 391 HD13 ILE 50 3HD1 ILE 50 -0.909 0.850 2.579 392 H ARG 51 H ARG 51 1.851 -4.793 3.080 393 HA ARG 51 HA ARG 51 3.264 -4.310 5.621 394 HB2 ARG 51 1HB ARG 51 2.037 -6.541 5.337 395 HB3 ARG 51 2HB ARG 51 3.267 -6.933 4.143 396 HG2 ARG 51 1HG ARG 51 4.167 -7.889 6.011 397 HG3 ARG 51 2HG ARG 51 4.912 -6.290 6.077 398 HD2 ARG 51 1HD ARG 51 3.187 -5.549 7.641 399 HD3 ARG 51 2HD ARG 51 2.428 -7.138 7.564 400 HE ARG 51 HE ARG 51 4.984 -7.660 8.342 401 HH11 ARG 51 1HH1 ARG 51 2.439 -5.604 9.532 402 HH12 ARG 51 2HH1 ARG 51 2.946 -5.712 11.185 403 HH21 ARG 51 1HH2 ARG 51 5.662 -7.810 10.515 404 HH22 ARG 51 2HH2 ARG 51 4.781 -6.966 11.743 405 H PHE 52 H PHE 52 5.090 -3.254 5.220 406 HA PHE 52 HA PHE 52 6.418 -3.417 2.673 407 HB2 PHE 52 1HB PHE 52 6.896 -1.901 5.218 408 HB3 PHE 52 2HB PHE 52 8.150 -1.969 3.984 409 HD1 PHE 52 2HD PHE 52 4.740 -0.822 4.739 410 HD2 PHE 52 1HD PHE 52 7.958 -0.744 1.953 411 HE1 PHE 52 2HE PHE 52 3.648 1.024 3.534 412 HE2 PHE 52 1HE PHE 52 6.871 1.103 0.745 413 HZ PHE 52 HZ PHE 52 4.712 1.989 1.534 414 HA PRO 53 HA PRO 53 9.353 -6.572 3.503 415 HB2 PRO 53 1HB PRO 53 11.522 -5.657 2.151 416 HB3 PRO 53 2HB PRO 53 10.086 -6.297 1.343 417 HG2 PRO 53 1HG PRO 53 10.873 -3.451 1.833 418 HG3 PRO 53 2HG PRO 53 10.192 -4.187 0.371 419 HD2 PRO 53 1HD PRO 53 8.691 -2.770 2.124 420 HD3 PRO 53 2HD PRO 53 8.040 -4.137 1.197 421 H GLN 54 H GLN 54 10.322 -6.932 5.391 422 HA GLN 54 HA GLN 54 11.421 -4.888 7.008 423 HB2 GLN 54 1HB GLN 54 12.182 -6.751 8.457 424 HB3 GLN 54 2HB GLN 54 10.483 -6.870 8.021 425 HG2 GLN 54 1HG GLN 54 11.241 -8.437 6.162 426 HG3 GLN 54 2HG GLN 54 12.787 -8.495 7.007 427 HE21 GLN 54 1HE2 GLN 54 9.343 -9.118 7.335 428 HE22 GLN 54 2HE2 GLN 54 9.490 -10.321 8.567 429 H SER 55 H SER 55 13.718 -5.341 8.015 430 HA SER 55 HA SER 55 15.610 -4.660 6.072 431 HB2 SER 55 1HB SER 55 17.274 -4.892 7.834 432 HB3 SER 55 2HB SER 55 15.823 -4.135 8.492 433 HG SER 55 HG SER 55 16.833 -6.720 8.907 434 H GLY 56 H GLY 56 14.586 -7.759 7.292 435 HA2 GLY 56 1HA GLY 56 16.721 -9.076 5.742 436 HA3 GLY 56 2HA GLY 56 15.840 -9.815 7.071 437 H ALA 57 H ALA 57 14.170 -7.944 4.663 438 HA ALA 57 HA ALA 57 12.574 -10.234 3.947 439 HB1 ALA 57 1HB ALA 57 11.033 -8.738 3.331 440 HB2 ALA 57 2HB ALA 57 12.085 -7.540 4.086 441 HB3 ALA 57 3HB ALA 57 12.179 -7.826 2.348 442 HA PRO 58 HA PRO 58 14.749 -11.473 0.331 443 HB2 PRO 58 1HB PRO 58 12.707 -12.564 -1.086 444 HB3 PRO 58 2HB PRO 58 13.410 -13.340 0.338 445 HG2 PRO 58 1HG PRO 58 10.910 -11.708 0.109 446 HG3 PRO 58 2HG PRO 58 11.184 -13.217 1.000 447 HD2 PRO 58 1HD PRO 58 11.170 -10.794 2.208 448 HD3 PRO 58 2HD PRO 58 12.185 -12.136 2.772 449 H ASP 59 H ASP 59 11.918 -9.427 0.058 450 HA ASP 59 HA ASP 59 13.024 -8.324 -2.438 451 HB2 ASP 59 1HB ASP 59 10.157 -8.957 -1.760 452 HB3 ASP 59 2HB ASP 59 10.579 -7.795 -3.015 453 HA PRO 60 HA PRO 60 12.860 -4.905 0.594 454 HB2 PRO 60 1HB PRO 60 14.972 -3.580 -0.481 455 HB3 PRO 60 2HB PRO 60 15.157 -4.909 0.671 456 HG2 PRO 60 1HG PRO 60 15.387 -4.943 -2.314 457 HG3 PRO 60 2HG PRO 60 16.415 -5.732 -1.103 458 HD2 PRO 60 1HD PRO 60 14.501 -7.064 -2.479 459 HD3 PRO 60 2HD PRO 60 14.945 -7.483 -0.812 460 H ASN 61 H ASN 61 12.190 -5.242 -2.655 461 HA ASN 61 HA ASN 61 11.370 -2.419 -2.868 462 HB2 ASN 61 1HB ASN 61 11.524 -2.924 -5.420 463 HB3 ASN 61 2HB ASN 61 13.001 -2.585 -4.522 464 HD21 ASN 61 1HD2 ASN 61 14.522 -4.152 -4.293 465 HD22 ASN 61 2HD2 ASN 61 14.428 -5.697 -5.059 466 H CYS 62 H CYS 62 10.105 -5.173 -2.093 467 HA CYS 62 HA CYS 62 7.663 -4.762 -3.684 468 HB2 CYS 62 1HB CYS 62 9.110 -6.914 -4.118 469 HB3 CYS 62 2HB CYS 62 8.356 -7.478 -2.632 470 HG CYS 62 HG CYS 62 6.667 -8.638 -4.278 471 H VAL 63 H VAL 63 5.715 -4.932 -2.604 472 HA VAL 63 HA VAL 63 5.885 -5.255 0.321 473 HB VAL 63 HB VAL 63 4.240 -3.538 0.639 474 HG11 VAL 63 1HG1 VAL 63 6.170 -2.371 -1.344 475 HG12 VAL 63 2HG1 VAL 63 5.512 -1.635 0.119 476 HG13 VAL 63 3HG1 VAL 63 6.689 -2.944 0.240 477 HG21 VAL 63 1HG2 VAL 63 2.724 -3.130 -0.932 478 HG22 VAL 63 2HG2 VAL 63 3.968 -2.318 -1.882 479 HG23 VAL 63 3HG2 VAL 63 3.659 -4.038 -2.120 480 H THR 64 H THR 64 4.157 -6.258 1.352 481 HA THR 64 HA THR 64 2.424 -7.821 -0.432 482 HB THR 64 HB THR 64 3.096 -8.308 2.477 483 HG1 THR 64 1HG THR 64 4.891 -8.896 1.412 484 HG21 THR 64 1HG2 THR 64 2.182 -10.664 1.555 485 HG22 THR 64 2HG2 THR 64 1.210 -9.564 0.577 486 HG23 THR 64 3HG2 THR 64 1.151 -9.466 2.337 487 H VAL 65 H VAL 65 0.619 -6.636 -0.780 488 HA VAL 65 HA VAL 65 -0.684 -5.291 1.459 489 HB VAL 65 HB VAL 65 -1.385 -5.301 -1.480 490 HG11 VAL 65 1HG1 VAL 65 -2.431 -3.374 0.564 491 HG12 VAL 65 2HG1 VAL 65 -3.057 -3.737 -1.046 492 HG13 VAL 65 3HG1 VAL 65 -3.242 -4.910 0.258 493 HG21 VAL 65 1HG2 VAL 65 0.487 -4.017 -1.502 494 HG22 VAL 65 2HG2 VAL 65 -0.656 -2.780 -0.979 495 HG23 VAL 65 3HG2 VAL 65 0.357 -3.602 0.207 496 H THR 66 H THR 66 -2.297 -6.183 2.553 497 HA THR 66 HA THR 66 -3.583 -8.585 1.464 498 HB THR 66 HB THR 66 -4.034 -7.683 4.276 499 HG1 THR 66 1HG THR 66 -1.615 -8.678 3.203 500 HG21 THR 66 1HG2 THR 66 -3.768 -10.242 4.542 501 HG22 THR 66 2HG2 THR 66 -3.913 -10.284 2.784 502 HG23 THR 66 3HG2 THR 66 -5.223 -9.623 3.762 503 H GLY 67 H GLY 67 -5.880 -8.867 1.676 504 HA2 GLY 67 1HA GLY 67 -7.950 -7.605 2.490 505 HA3 GLY 67 2HA GLY 67 -7.314 -6.295 1.506 506 H LEU 68 H LEU 68 -9.842 -7.241 1.053 507 HA LEU 68 HA LEU 68 -10.270 -9.302 -0.689 508 HB2 LEU 68 1HB LEU 68 -11.503 -6.569 -0.549 509 HB3 LEU 68 2HB LEU 68 -12.056 -7.775 -1.708 510 HG LEU 68 HG LEU 68 -13.521 -7.752 0.204 511 HD11 LEU 68 1HD1 LEU 68 -11.871 -10.217 0.588 512 HD12 LEU 68 2HD1 LEU 68 -12.724 -9.935 -0.930 513 HD13 LEU 68 3HD1 LEU 68 -13.625 -10.033 0.582 514 HD21 LEU 68 1HD2 LEU 68 -11.251 -8.587 1.975 515 HD22 LEU 68 2HD2 LEU 68 -12.849 -7.989 2.423 516 HD23 LEU 68 3HD2 LEU 68 -11.652 -6.886 1.742 517 HA PRO 69 HA PRO 69 -8.177 -8.462 -4.457 518 HB2 PRO 69 1HB PRO 69 -9.877 -9.586 -6.251 519 HB3 PRO 69 2HB PRO 69 -8.866 -10.539 -5.158 520 HG2 PRO 69 1HG PRO 69 -11.758 -9.808 -4.909 521 HG3 PRO 69 2HG PRO 69 -10.965 -11.362 -4.590 522 HD2 PRO 69 1HD PRO 69 -11.644 -9.639 -2.614 523 HD3 PRO 69 2HD PRO 69 -10.223 -10.698 -2.511 524 H GLU 70 H GLU 70 -11.366 -7.260 -3.904 525 HA GLU 70 HA GLU 70 -11.432 -5.669 -6.327 526 HB2 GLU 70 1HB GLU 70 -13.576 -4.825 -5.437 527 HB3 GLU 70 2HB GLU 70 -13.524 -6.581 -5.508 528 HG2 GLU 70 1HG GLU 70 -13.171 -6.732 -3.149 529 HG3 GLU 70 2HG GLU 70 -12.987 -4.984 -3.018 530 H ASN 71 H ASN 71 -10.738 -5.259 -2.919 531 HA ASN 71 HA ASN 71 -10.552 -2.374 -3.145 532 HB2 ASN 71 1HB ASN 71 -10.084 -4.305 -0.874 533 HB3 ASN 71 2HB ASN 71 -9.757 -2.581 -0.733 534 HD21 ASN 71 1HD2 ASN 71 -11.758 -4.482 0.500 535 HD22 ASN 71 2HD2 ASN 71 -13.276 -3.684 0.294 536 H VAL 72 H VAL 72 -8.356 -5.106 -2.576 537 HA VAL 72 HA VAL 72 -5.970 -3.788 -2.240 538 HB VAL 72 HB VAL 72 -6.585 -6.397 -3.603 539 HG11 VAL 72 1HG1 VAL 72 -3.947 -6.608 -3.125 540 HG12 VAL 72 2HG1 VAL 72 -4.620 -6.125 -4.683 541 HG13 VAL 72 3HG1 VAL 72 -4.043 -4.900 -3.552 542 HG21 VAL 72 1HG2 VAL 72 -6.745 -5.916 -1.050 543 HG22 VAL 72 2HG2 VAL 72 -5.965 -7.395 -1.612 544 HG23 VAL 72 3HG2 VAL 72 -4.985 -6.019 -1.107 545 H GLU 73 H GLU 73 -7.518 -4.683 -5.310 546 HA GLU 73 HA GLU 73 -5.529 -3.809 -7.047 547 HB2 GLU 73 1HB GLU 73 -7.325 -3.610 -8.731 548 HB3 GLU 73 2HB GLU 73 -7.415 -5.116 -7.828 549 HG2 GLU 73 1HG GLU 73 -9.242 -4.314 -6.527 550 HG3 GLU 73 2HG GLU 73 -9.067 -2.688 -7.185 551 H GLU 74 H GLU 74 -8.200 -2.013 -5.574 552 HA GLU 74 HA GLU 74 -7.745 0.415 -6.946 553 HB2 GLU 74 1HB GLU 74 -9.052 -0.095 -4.268 554 HB3 GLU 74 2HB GLU 74 -9.113 1.432 -5.138 555 HG2 GLU 74 1HG GLU 74 -10.290 -1.199 -5.993 556 HG3 GLU 74 2HG GLU 74 -11.157 0.257 -5.508 557 H ALA 75 H ALA 75 -6.546 -0.873 -3.887 558 HA ALA 75 HA ALA 75 -5.276 1.448 -2.950 559 HB1 ALA 75 1HB ALA 75 -4.695 0.156 -1.226 560 HB2 ALA 75 2HB ALA 75 -5.624 -1.117 -2.019 561 HB3 ALA 75 3HB ALA 75 -3.881 -1.013 -2.266 562 H ILE 76 H ILE 76 -3.899 -1.329 -4.716 563 HA ILE 76 HA ILE 76 -1.299 -0.567 -4.961 564 HB ILE 76 HB ILE 76 -2.984 -1.775 -7.158 565 HG12 ILE 76 1HG1 ILE 76 -1.178 -3.196 -5.203 566 HG13 ILE 76 2HG1 ILE 76 -2.894 -2.952 -4.897 567 HG21 ILE 76 1HG2 ILE 76 -0.200 -0.999 -7.054 568 HG22 ILE 76 2HG2 ILE 76 -0.384 -2.726 -7.359 569 HG23 ILE 76 3HG2 ILE 76 -1.165 -1.555 -8.421 570 HD11 ILE 76 1HD1 ILE 76 -1.782 -4.390 -7.293 571 HD12 ILE 76 2HD1 ILE 76 -2.349 -5.176 -5.819 572 HD13 ILE 76 3HD1 ILE 76 -3.476 -4.259 -6.818 573 H ASP 77 H ASP 77 -3.877 0.336 -7.256 574 HA ASP 77 HA ASP 77 -2.485 1.923 -8.984 575 HB2 ASP 77 1HB ASP 77 -4.899 1.404 -9.179 576 HB3 ASP 77 2HB ASP 77 -5.232 2.547 -7.880 577 H HIS 78 H HIS 78 -3.796 2.883 -5.832 578 HA HIS 78 HA HIS 78 -2.978 5.590 -5.996 579 HB2 HIS 78 1HB HIS 78 -4.724 4.879 -4.446 580 HB3 HIS 78 2HB HIS 78 -3.568 3.875 -3.575 581 HD1 HIS 78 1HD HIS 78 -5.154 7.042 -3.353 582 HD2 HIS 78 2HD HIS 78 -1.331 5.640 -2.530 583 HE1 HIS 78 1HE HIS 78 -4.136 8.738 -1.801 584 H ILE 79 H ILE 79 -1.432 2.662 -4.827 585 HA ILE 79 HA ILE 79 0.744 3.900 -3.513 586 HB ILE 79 HB ILE 79 0.499 1.149 -4.729 587 HG12 ILE 79 1HG1 ILE 79 0.435 2.016 -1.833 588 HG13 ILE 79 2HG1 ILE 79 -1.006 1.742 -2.807 589 HG21 ILE 79 1HG2 ILE 79 2.819 1.601 -4.656 590 HG22 ILE 79 2HG2 ILE 79 2.693 2.370 -3.075 591 HG23 ILE 79 3HG2 ILE 79 2.464 0.629 -3.229 592 HD11 ILE 79 1HD1 ILE 79 -0.783 -0.248 -1.680 593 HD12 ILE 79 2HD1 ILE 79 0.030 -0.601 -3.205 594 HD13 ILE 79 3HD1 ILE 79 0.978 -0.223 -1.766 595 H LEU 80 H LEU 80 0.559 2.351 -6.722 596 HA LEU 80 HA LEU 80 3.138 3.016 -7.563 597 HB2 LEU 80 1HB LEU 80 0.608 2.242 -8.905 598 HB3 LEU 80 2HB LEU 80 1.878 2.945 -9.906 599 HG LEU 80 HG LEU 80 2.261 0.516 -8.161 600 HD11 LEU 80 1HD1 LEU 80 1.016 0.810 -10.775 601 HD12 LEU 80 2HD1 LEU 80 1.028 -0.565 -9.672 602 HD13 LEU 80 3HD1 LEU 80 2.378 -0.311 -10.778 603 HD21 LEU 80 1HD2 LEU 80 3.993 0.846 -10.455 604 HD22 LEU 80 2HD2 LEU 80 4.403 0.583 -8.760 605 HD23 LEU 80 3HD2 LEU 80 4.101 2.218 -9.351 606 H ASN 81 H ASN 81 0.142 4.842 -7.648 607 HA ASN 81 HA ASN 81 0.848 6.872 -9.412 608 HB2 ASN 81 1HB ASN 81 -1.390 6.898 -8.769 609 HB3 ASN 81 2HB ASN 81 -1.005 6.735 -7.058 610 HD21 ASN 81 1HD2 ASN 81 -2.365 8.483 -6.584 611 HD22 ASN 81 2HD2 ASN 81 -1.880 10.113 -6.892 612 H LEU 82 H LEU 82 1.416 6.621 -5.920 613 HA LEU 82 HA LEU 82 2.741 9.156 -5.755 614 HB2 LEU 82 1HB LEU 82 2.805 6.856 -3.809 615 HB3 LEU 82 2HB LEU 82 3.257 8.527 -3.477 616 HG LEU 82 HG LEU 82 0.467 7.633 -4.195 617 HD11 LEU 82 1HD1 LEU 82 1.020 6.646 -2.090 618 HD12 LEU 82 2HD1 LEU 82 -0.006 8.047 -1.785 619 HD13 LEU 82 3HD1 LEU 82 1.733 8.152 -1.512 620 HD21 LEU 82 1HD2 LEU 82 0.432 10.030 -2.783 621 HD22 LEU 82 2HD2 LEU 82 0.134 9.809 -4.508 622 HD23 LEU 82 3HD2 LEU 82 1.756 10.203 -3.936 623 H GLU 83 H GLU 83 3.709 5.861 -6.339 624 HA GLU 83 HA GLU 83 6.396 5.920 -5.700 625 HB2 GLU 83 1HB GLU 83 5.120 3.926 -6.496 626 HB3 GLU 83 2HB GLU 83 5.197 4.577 -8.127 627 HG2 GLU 83 1HG GLU 83 7.788 4.616 -7.591 628 HG3 GLU 83 2HG GLU 83 7.318 3.336 -6.474 629 H GLU 84 H GLU 84 4.841 6.931 -8.729 630 HA GLU 84 HA GLU 84 7.269 7.724 -9.984 631 HB2 GLU 84 1HB GLU 84 5.153 7.121 -11.186 632 HB3 GLU 84 2HB GLU 84 4.467 8.644 -10.639 633 HG2 GLU 84 1HG GLU 84 5.181 9.135 -12.776 634 HG3 GLU 84 2HG GLU 84 6.509 9.722 -11.776 635 H GLU 85 H GLU 85 4.578 9.625 -8.617 636 HA GLU 85 HA GLU 85 5.486 12.159 -8.929 637 HB2 GLU 85 1HB GLU 85 3.367 11.759 -7.879 638 HB3 GLU 85 2HB GLU 85 4.132 10.954 -6.517 639 HG2 GLU 85 1HG GLU 85 3.451 13.132 -5.828 640 HG3 GLU 85 2HG GLU 85 5.211 13.099 -5.915 641 H TYR 86 H TYR 86 6.480 9.911 -6.375 642 HA TYR 86 HA TYR 86 8.262 11.765 -5.132 643 HB2 TYR 86 1HB TYR 86 7.780 8.811 -4.868 644 HB3 TYR 86 2HB TYR 86 9.144 9.572 -4.058 645 HD1 TYR 86 2HD TYR 86 8.160 12.051 -3.042 646 HD2 TYR 86 1HD TYR 86 6.131 8.322 -3.332 647 HE1 TYR 86 2HE TYR 86 6.691 12.711 -1.183 648 HE2 TYR 86 1HE TYR 86 4.656 8.973 -1.475 649 HH TYR 86 HH TYR 86 3.852 11.281 -0.486 650 H LEU 87 H LEU 87 8.778 8.876 -7.154 651 HA LEU 87 HA LEU 87 11.502 8.845 -7.324 652 HB2 LEU 87 1HB LEU 87 9.366 8.198 -9.311 653 HB3 LEU 87 2HB LEU 87 11.062 8.094 -9.777 654 HG LEU 87 HG LEU 87 9.934 6.597 -7.423 655 HD11 LEU 87 1HD1 LEU 87 9.448 4.758 -8.744 656 HD12 LEU 87 2HD1 LEU 87 10.400 5.353 -10.103 657 HD13 LEU 87 3HD1 LEU 87 8.851 6.103 -9.717 658 HD21 LEU 87 1HD2 LEU 87 12.190 5.531 -8.949 659 HD22 LEU 87 2HD2 LEU 87 11.974 5.699 -7.207 660 HD23 LEU 87 3HD2 LEU 87 12.516 7.077 -8.166 661 H ALA 88 H ALA 88 9.281 10.882 -9.180 662 HA ALA 88 HA ALA 88 10.836 12.045 -11.048 663 HB1 ALA 88 1HB ALA 88 9.220 13.872 -9.327 664 HB2 ALA 88 2HB ALA 88 9.373 13.823 -11.084 665 HB3 ALA 88 3HB ALA 88 8.416 12.601 -10.249 666 H ASP 89 H ASP 89 11.056 12.565 -7.589 667 HA ASP 89 HA ASP 89 13.067 14.645 -7.919 668 HB2 ASP 89 1HB ASP 89 11.173 14.485 -6.089 669 HB3 ASP 89 2HB ASP 89 12.358 13.482 -5.257 670 H SER 90 H SER 90 13.983 12.378 -9.055 671 HA SER 90 HA SER 90 15.326 10.530 -7.481 672 HB2 SER 90 1HB SER 90 16.745 10.117 -9.433 673 HB3 SER 90 2HB SER 90 15.066 10.326 -9.929 674 HG SER 90 HG SER 90 15.542 12.359 -10.663 675 H GLY 91 H GLY 91 16.435 13.685 -8.668 676 HA2 GLY 91 1HA GLY 91 18.560 13.587 -6.623 677 HA3 GLY 91 2HA GLY 91 18.912 14.120 -8.260 678 HA PRO 92 HA PRO 92 17.098 17.543 -5.389 679 HB2 PRO 92 1HB PRO 92 19.342 18.484 -4.184 680 HB3 PRO 92 2HB PRO 92 18.319 17.232 -3.468 681 HG2 PRO 92 1HG PRO 92 20.882 16.945 -4.988 682 HG3 PRO 92 2HG PRO 92 20.359 16.115 -3.511 683 HD2 PRO 92 1HD PRO 92 20.228 14.958 -5.955 684 HD3 PRO 92 2HD PRO 92 19.056 14.607 -4.669 685 H SER 93 H SER 93 16.784 19.273 -6.627 686 HA SER 93 HA SER 93 19.048 20.307 -8.206 687 HB2 SER 93 1HB SER 93 17.195 19.284 -9.553 688 HB3 SER 93 2HB SER 93 16.115 20.524 -8.917 689 HG SER 93 HG SER 93 18.524 21.289 -10.135 690 H SER 94 H SER 94 19.480 22.462 -8.150 691 HA SER 94 HA SER 94 18.497 23.959 -5.941 692 HB2 SER 94 1HB SER 94 19.931 25.762 -6.783 693 HB3 SER 94 2HB SER 94 20.793 24.223 -6.804 694 HG SER 94 HG SER 94 20.965 24.382 -8.888 695 H GLY 95 H GLY 95 17.652 26.225 -6.196 696 HA2 GLY 95 1HA GLY 95 16.495 27.610 -8.044 697 HA3 GLY 95 2HA GLY 95 15.479 26.183 -8.180 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -33.491 9.452 -9.713 2 HA2 GLY 1 1HA GLY 1 -32.791 10.454 -7.240 3 HA3 GLY 1 2HA GLY 1 -34.420 9.826 -7.042 4 H SER 2 H SER 2 -31.421 9.050 -6.365 5 HA SER 2 HA SER 2 -31.877 6.177 -6.814 6 HB2 SER 2 1HB SER 2 -29.392 7.786 -7.318 7 HB3 SER 2 2HB SER 2 -29.267 6.081 -6.888 8 HG SER 2 HG SER 2 -30.977 5.932 -8.691 9 H SER 3 H SER 3 -31.768 4.969 -5.033 10 HA SER 3 HA SER 3 -30.363 6.044 -2.682 11 HB2 SER 3 1HB SER 3 -32.667 6.450 -2.212 12 HB3 SER 3 2HB SER 3 -33.137 4.852 -2.792 13 HG SER 3 HG SER 3 -33.009 4.411 -0.725 14 H GLY 4 H GLY 4 -29.212 4.594 -1.490 15 HA2 GLY 4 1HA GLY 4 -29.137 2.167 -0.786 16 HA3 GLY 4 2HA GLY 4 -29.190 1.822 -2.509 17 H SER 5 H SER 5 -27.343 4.202 -0.612 18 HA SER 5 HA SER 5 -25.035 4.164 -2.084 19 HB2 SER 5 1HB SER 5 -25.622 4.733 0.788 20 HB3 SER 5 2HB SER 5 -23.934 4.612 0.291 21 HG SER 5 HG SER 5 -25.686 6.623 -0.105 22 H SER 6 H SER 6 -23.560 2.683 -2.549 23 HA SER 6 HA SER 6 -23.605 0.050 -1.931 24 HB2 SER 6 1HB SER 6 -21.209 -0.047 -2.496 25 HB3 SER 6 2HB SER 6 -22.084 1.010 -3.603 26 HG SER 6 HG SER 6 -21.344 2.782 -2.305 27 H GLY 7 H GLY 7 -21.934 2.568 -0.070 28 HA2 GLY 7 1HA GLY 7 -21.473 2.616 2.198 29 HA3 GLY 7 2HA GLY 7 -22.225 1.035 2.349 30 H ARG 8 H ARG 8 -19.671 2.165 3.419 31 HA ARG 8 HA ARG 8 -17.604 0.663 2.066 32 HB2 ARG 8 1HB ARG 8 -17.723 2.589 4.329 33 HB3 ARG 8 2HB ARG 8 -16.379 1.455 4.306 34 HG2 ARG 8 1HG ARG 8 -17.087 3.213 1.973 35 HG3 ARG 8 2HG ARG 8 -15.946 3.682 3.236 36 HD2 ARG 8 1HD ARG 8 -14.486 2.779 1.737 37 HD3 ARG 8 2HD ARG 8 -14.895 1.325 2.647 38 HE ARG 8 HE ARG 8 -16.714 1.524 0.558 39 HH11 ARG 8 1HH1 ARG 8 -13.284 1.106 0.984 40 HH12 ARG 8 2HH1 ARG 8 -13.081 0.201 -0.480 41 HH21 ARG 8 1HH2 ARG 8 -16.459 0.334 -1.371 42 HH22 ARG 8 2HH2 ARG 8 -14.887 -0.237 -1.819 43 H ILE 9 H ILE 9 -16.252 -0.904 3.210 44 HA ILE 9 HA ILE 9 -17.261 -2.189 5.567 45 HB ILE 9 HB ILE 9 -17.466 -4.444 4.357 46 HG12 ILE 9 1HG1 ILE 9 -18.416 -4.105 1.999 47 HG13 ILE 9 2HG1 ILE 9 -17.677 -2.509 2.054 48 HG21 ILE 9 1HG2 ILE 9 -19.694 -2.583 3.642 49 HG22 ILE 9 2HG2 ILE 9 -19.767 -4.225 4.279 50 HG23 ILE 9 3HG2 ILE 9 -19.301 -2.891 5.334 51 HD11 ILE 9 1HD1 ILE 9 -16.408 -4.480 0.964 52 HD12 ILE 9 2HD1 ILE 9 -15.537 -3.357 2.008 53 HD13 ILE 9 3HD1 ILE 9 -16.034 -4.931 2.627 54 H VAL 10 H VAL 10 -15.974 -4.223 6.045 55 HA VAL 10 HA VAL 10 -13.189 -3.763 5.227 56 HB VAL 10 HB VAL 10 -14.205 -5.315 7.612 57 HG11 VAL 10 1HG1 VAL 10 -11.469 -4.262 7.597 58 HG12 VAL 10 2HG1 VAL 10 -12.078 -5.838 8.106 59 HG13 VAL 10 3HG1 VAL 10 -11.777 -5.517 6.398 60 HG21 VAL 10 1HG2 VAL 10 -13.157 -3.270 8.814 61 HG22 VAL 10 2HG2 VAL 10 -13.398 -2.453 7.270 62 HG23 VAL 10 3HG2 VAL 10 -14.778 -3.130 8.134 63 H GLY 11 H GLY 11 -15.544 -6.365 5.793 64 HA2 GLY 11 1HA GLY 11 -15.794 -8.201 4.295 65 HA3 GLY 11 2HA GLY 11 -14.132 -7.965 3.776 66 H GLU 12 H GLU 12 -14.330 -10.407 4.141 67 HA GLU 12 HA GLU 12 -13.967 -11.133 6.952 68 HB2 GLU 12 1HB GLU 12 -14.691 -12.610 4.473 69 HB3 GLU 12 2HB GLU 12 -13.823 -13.498 5.718 70 HG2 GLU 12 1HG GLU 12 -16.227 -11.903 6.463 71 HG3 GLU 12 2HG GLU 12 -16.425 -13.471 5.682 72 H LEU 13 H LEU 13 -12.114 -12.102 7.736 73 HA LEU 13 HA LEU 13 -9.666 -11.294 6.642 74 HB2 LEU 13 1HB LEU 13 -10.450 -13.238 8.774 75 HB3 LEU 13 2HB LEU 13 -8.767 -13.115 8.266 76 HG LEU 13 HG LEU 13 -10.252 -10.666 9.133 77 HD11 LEU 13 1HD1 LEU 13 -10.224 -11.163 11.315 78 HD12 LEU 13 2HD1 LEU 13 -8.675 -11.998 11.207 79 HD13 LEU 13 3HD1 LEU 13 -10.163 -12.840 10.773 80 HD21 LEU 13 1HD2 LEU 13 -8.159 -9.756 9.442 81 HD22 LEU 13 2HD2 LEU 13 -7.882 -10.813 8.057 82 HD23 LEU 13 3HD2 LEU 13 -7.390 -11.327 9.671 83 H GLU 14 H GLU 14 -10.848 -14.646 6.990 84 HA GLU 14 HA GLU 14 -8.920 -15.857 5.406 85 HB2 GLU 14 1HB GLU 14 -11.767 -16.616 6.026 86 HB3 GLU 14 2HB GLU 14 -10.731 -17.637 5.038 87 HG2 GLU 14 1HG GLU 14 -9.229 -18.004 6.827 88 HG3 GLU 14 2HG GLU 14 -9.981 -16.745 7.805 89 H GLN 15 H GLN 15 -11.460 -13.799 4.474 90 HA GLN 15 HA GLN 15 -11.659 -14.807 1.766 91 HB2 GLN 15 1HB GLN 15 -12.928 -12.528 3.258 92 HB3 GLN 15 2HB GLN 15 -13.067 -12.652 1.509 93 HG2 GLN 15 1HG GLN 15 -13.872 -15.083 2.056 94 HG3 GLN 15 2HG GLN 15 -14.230 -14.379 3.632 95 HE21 GLN 15 1HE2 GLN 15 -15.334 -14.877 0.511 96 HE22 GLN 15 2HE2 GLN 15 -16.684 -13.800 0.538 97 H MET 16 H MET 16 -9.934 -12.353 3.514 98 HA MET 16 HA MET 16 -9.251 -10.634 1.413 99 HB2 MET 16 1HB MET 16 -7.728 -11.345 3.924 100 HB3 MET 16 2HB MET 16 -7.290 -10.027 2.845 101 HG2 MET 16 1HG MET 16 -9.615 -9.110 3.250 102 HG3 MET 16 2HG MET 16 -9.743 -10.292 4.550 103 HE1 MET 16 1HE MET 16 -10.225 -7.382 5.473 104 HE2 MET 16 2HE MET 16 -10.091 -8.812 6.497 105 HE3 MET 16 3HE MET 16 -9.170 -7.358 6.887 106 H VAL 17 H VAL 17 -7.101 -10.395 0.408 107 HA VAL 17 HA VAL 17 -5.699 -12.945 0.010 108 HB VAL 17 HB VAL 17 -5.520 -12.469 -2.418 109 HG11 VAL 17 1HG1 VAL 17 -8.401 -12.555 -2.246 110 HG12 VAL 17 2HG1 VAL 17 -7.263 -13.821 -2.711 111 HG13 VAL 17 3HG1 VAL 17 -7.656 -13.569 -1.010 112 HG21 VAL 17 1HG2 VAL 17 -6.042 -9.988 -2.070 113 HG22 VAL 17 2HG2 VAL 17 -6.740 -10.776 -3.485 114 HG23 VAL 17 3HG2 VAL 17 -7.737 -10.475 -2.062 115 H SER 18 H SER 18 -3.517 -12.790 -0.259 116 HA SER 18 HA SER 18 -2.357 -10.143 0.189 117 HB2 SER 18 1HB SER 18 -1.372 -11.524 1.741 118 HB3 SER 18 2HB SER 18 -1.479 -12.946 0.702 119 HG SER 18 HG SER 18 0.422 -12.503 -0.090 120 H GLU 19 H GLU 19 -1.573 -9.029 -1.460 121 HA GLU 19 HA GLU 19 -0.639 -10.500 -3.836 122 HB2 GLU 19 1HB GLU 19 -2.215 -7.995 -3.524 123 HB3 GLU 19 2HB GLU 19 -1.074 -8.074 -4.859 124 HG2 GLU 19 1HG GLU 19 -3.013 -10.300 -4.431 125 HG3 GLU 19 2HG GLU 19 -3.539 -8.806 -5.204 126 H ASP 20 H ASP 20 1.100 -9.463 -5.063 127 HA ASP 20 HA ASP 20 2.976 -8.081 -3.264 128 HB2 ASP 20 1HB ASP 20 4.713 -8.946 -4.941 129 HB3 ASP 20 2HB ASP 20 3.956 -10.132 -3.881 130 H VAL 21 H VAL 21 3.243 -5.996 -3.656 131 HA VAL 21 HA VAL 21 2.860 -5.014 -6.408 132 HB VAL 21 HB VAL 21 2.792 -3.203 -4.025 133 HG11 VAL 21 1HG1 VAL 21 2.552 -1.801 -5.758 134 HG12 VAL 21 2HG1 VAL 21 2.099 -3.097 -6.868 135 HG13 VAL 21 3HG1 VAL 21 0.889 -2.387 -5.798 136 HG21 VAL 21 1HG2 VAL 21 0.500 -4.897 -5.010 137 HG22 VAL 21 2HG2 VAL 21 1.257 -4.964 -3.418 138 HG23 VAL 21 3HG2 VAL 21 0.342 -3.536 -3.900 139 HA PRO 22 HA PRO 22 7.247 -4.229 -6.272 140 HB2 PRO 22 1HB PRO 22 7.404 -3.140 -8.754 141 HB3 PRO 22 2HB PRO 22 7.276 -4.881 -8.475 142 HG2 PRO 22 1HG PRO 22 5.140 -2.920 -9.219 143 HG3 PRO 22 2HG PRO 22 5.427 -4.553 -9.847 144 HD2 PRO 22 1HD PRO 22 3.531 -4.019 -7.989 145 HD3 PRO 22 2HD PRO 22 4.408 -5.562 -8.042 146 H LEU 23 H LEU 23 7.520 -2.603 -4.786 147 HA LEU 23 HA LEU 23 7.004 0.142 -5.726 148 HB2 LEU 23 1HB LEU 23 5.702 -0.669 -3.721 149 HB3 LEU 23 2HB LEU 23 7.237 -0.736 -2.857 150 HG LEU 23 HG LEU 23 7.502 1.686 -3.163 151 HD11 LEU 23 1HD1 LEU 23 5.014 1.329 -4.753 152 HD12 LEU 23 2HD1 LEU 23 6.418 2.350 -5.062 153 HD13 LEU 23 3HD1 LEU 23 5.234 2.826 -3.845 154 HD21 LEU 23 1HD2 LEU 23 4.924 1.903 -1.994 155 HD22 LEU 23 2HD2 LEU 23 6.495 1.848 -1.195 156 HD23 LEU 23 3HD2 LEU 23 5.616 0.353 -1.517 157 H ASP 24 H ASP 24 8.740 1.339 -6.101 158 HA ASP 24 HA ASP 24 11.361 0.435 -5.793 159 HB2 ASP 24 1HB ASP 24 10.468 2.304 -7.307 160 HB3 ASP 24 2HB ASP 24 10.622 3.354 -5.901 161 H HIS 25 H HIS 25 12.683 0.328 -4.105 162 HA HIS 25 HA HIS 25 11.909 0.967 -1.500 163 HB2 HIS 25 1HB HIS 25 13.998 0.200 -0.827 164 HB3 HIS 25 2HB HIS 25 13.797 -0.605 -2.380 165 HD1 HIS 25 1HD HIS 25 15.618 -0.265 -4.042 166 HD2 HIS 25 2HD HIS 25 15.704 2.581 -1.016 167 HE1 HIS 25 1HE HIS 25 17.720 1.060 -4.426 168 H ARG 26 H ARG 26 13.072 2.981 -3.976 169 HA ARG 26 HA ARG 26 14.320 4.962 -2.328 170 HB2 ARG 26 1HB ARG 26 13.272 5.153 -5.158 171 HB3 ARG 26 2HB ARG 26 14.287 6.350 -4.366 172 HG2 ARG 26 1HG ARG 26 15.928 4.362 -4.045 173 HG3 ARG 26 2HG ARG 26 14.991 3.622 -5.345 174 HD2 ARG 26 1HD ARG 26 15.993 6.416 -5.661 175 HD3 ARG 26 2HD ARG 26 17.108 5.068 -5.880 176 HE ARG 26 HE ARG 26 15.171 5.947 -7.726 177 HH11 ARG 26 1HH1 ARG 26 16.514 3.021 -6.400 178 HH12 ARG 26 2HH1 ARG 26 16.191 2.076 -7.816 179 HH21 ARG 26 1HH2 ARG 26 14.739 4.713 -9.595 180 HH22 ARG 26 2HH2 ARG 26 15.182 3.040 -9.633 181 H VAL 27 H VAL 27 11.093 4.172 -3.124 182 HA VAL 27 HA VAL 27 10.154 6.810 -2.211 183 HB VAL 27 HB VAL 27 8.029 6.330 -3.277 184 HG11 VAL 27 1HG1 VAL 27 8.702 6.480 -5.564 185 HG12 VAL 27 2HG1 VAL 27 9.918 7.310 -4.592 186 HG13 VAL 27 3HG1 VAL 27 10.242 5.694 -5.221 187 HG21 VAL 27 1HG2 VAL 27 7.443 4.331 -4.272 188 HG22 VAL 27 2HG2 VAL 27 9.119 3.824 -4.487 189 HG23 VAL 27 3HG2 VAL 27 8.382 3.777 -2.886 190 H HIS 28 H HIS 28 10.321 3.477 -1.441 191 HA HIS 28 HA HIS 28 8.182 2.810 0.030 192 HB2 HIS 28 1HB HIS 28 11.094 2.360 0.444 193 HB3 HIS 28 2HB HIS 28 10.016 1.943 1.773 194 HD2 HIS 28 2HD HIS 28 9.195 1.230 -2.015 195 HE1 HIS 28 1HE HIS 28 9.490 -2.449 0.078 196 HE2 HIS 28 2HE HIS 28 9.019 -1.348 -2.138 197 H ALA 29 H ALA 29 10.928 4.347 1.702 198 HA ALA 29 HA ALA 29 9.614 5.030 4.023 199 HB1 ALA 29 1HB ALA 29 12.138 5.461 2.966 200 HB2 ALA 29 2HB ALA 29 11.513 7.083 3.268 201 HB3 ALA 29 3HB ALA 29 11.583 5.906 4.580 202 H ARG 30 H ARG 30 9.960 6.983 1.074 203 HA ARG 30 HA ARG 30 8.788 9.331 1.869 204 HB2 ARG 30 1HB ARG 30 8.352 7.974 -0.798 205 HB3 ARG 30 2HB ARG 30 8.173 9.690 -0.462 206 HG2 ARG 30 1HG ARG 30 10.766 8.201 -0.147 207 HG3 ARG 30 2HG ARG 30 10.289 9.043 -1.623 208 HD2 ARG 30 1HD ARG 30 10.495 11.120 -0.667 209 HD3 ARG 30 2HD ARG 30 10.189 10.517 0.962 210 HE ARG 30 HE ARG 30 12.553 9.396 0.398 211 HH11 ARG 30 1HH1 ARG 30 11.397 12.660 0.042 212 HH12 ARG 30 2HH1 ARG 30 12.957 13.377 0.279 213 HH21 ARG 30 1HH2 ARG 30 14.612 10.327 0.711 214 HH22 ARG 30 2HH2 ARG 30 14.784 12.049 0.659 215 H ILE 31 H ILE 31 7.186 6.342 0.878 216 HA ILE 31 HA ILE 31 4.548 7.476 1.118 217 HB ILE 31 HB ILE 31 5.437 4.609 0.781 218 HG12 ILE 31 1HG1 ILE 31 4.047 6.275 -1.290 219 HG13 ILE 31 2HG1 ILE 31 5.786 6.433 -1.063 220 HG21 ILE 31 1HG2 ILE 31 2.720 5.222 -0.014 221 HG22 ILE 31 2HG2 ILE 31 3.331 3.925 1.012 222 HG23 ILE 31 3HG2 ILE 31 2.987 5.510 1.705 223 HD11 ILE 31 1HD1 ILE 31 5.575 3.760 -1.238 224 HD12 ILE 31 2HD1 ILE 31 4.221 4.252 -2.255 225 HD13 ILE 31 3HD1 ILE 31 5.849 4.821 -2.620 226 H ILE 32 H ILE 32 6.394 5.008 2.910 227 HA ILE 32 HA ILE 32 4.660 4.329 4.881 228 HB ILE 32 HB ILE 32 7.616 4.864 5.133 229 HG12 ILE 32 1HG1 ILE 32 6.176 2.216 5.096 230 HG13 ILE 32 2HG1 ILE 32 6.684 3.019 3.614 231 HG21 ILE 32 1HG2 ILE 32 6.526 5.060 7.329 232 HG22 ILE 32 2HG2 ILE 32 5.827 3.457 7.110 233 HG23 ILE 32 3HG2 ILE 32 7.576 3.647 7.229 234 HD11 ILE 32 1HD1 ILE 32 8.873 2.572 3.964 235 HD12 ILE 32 2HD1 ILE 32 8.726 2.655 5.720 236 HD13 ILE 32 3HD1 ILE 32 8.179 1.218 4.857 237 H GLY 33 H GLY 33 6.812 7.171 4.970 238 HA2 GLY 33 1HA GLY 33 6.269 9.276 5.851 239 HA3 GLY 33 2HA GLY 33 4.842 8.572 6.597 240 H ALA 34 H ALA 34 7.347 10.198 7.485 241 HA ALA 34 HA ALA 34 9.022 8.969 9.177 242 HB1 ALA 34 1HB ALA 34 9.136 11.310 9.079 243 HB2 ALA 34 2HB ALA 34 7.464 11.499 9.611 244 HB3 ALA 34 3HB ALA 34 8.695 10.949 10.748 245 H ARG 35 H ARG 35 6.037 10.284 10.594 246 HA ARG 35 HA ARG 35 6.135 8.557 12.831 247 HB2 ARG 35 1HB ARG 35 4.068 9.523 13.489 248 HB3 ARG 35 2HB ARG 35 4.979 10.803 12.697 249 HG2 ARG 35 1HG ARG 35 3.083 9.195 11.067 250 HG3 ARG 35 2HG ARG 35 2.437 10.406 12.176 251 HD2 ARG 35 1HD ARG 35 4.355 10.824 9.894 252 HD3 ARG 35 2HD ARG 35 2.716 11.455 10.056 253 HE ARG 35 HE ARG 35 3.977 12.517 12.189 254 HH11 ARG 35 1HH1 ARG 35 4.747 12.407 8.796 255 HH12 ARG 35 2HH1 ARG 35 5.602 13.914 8.808 256 HH21 ARG 35 1HH2 ARG 35 5.100 14.502 12.218 257 HH22 ARG 35 2HH2 ARG 35 5.803 15.104 10.755 258 H GLY 36 H GLY 36 5.149 8.028 9.642 259 HA2 GLY 36 1HA GLY 36 4.440 6.028 8.695 260 HA3 GLY 36 2HA GLY 36 4.209 5.378 10.311 261 H LYS 37 H LYS 37 2.799 8.393 9.214 262 HA LYS 37 HA LYS 37 0.146 7.266 9.687 263 HB2 LYS 37 1HB LYS 37 1.299 10.015 9.633 264 HB3 LYS 37 2HB LYS 37 -0.406 9.830 9.244 265 HG2 LYS 37 1HG LYS 37 -0.767 8.707 11.391 266 HG3 LYS 37 2HG LYS 37 0.941 8.926 11.782 267 HD2 LYS 37 1HD LYS 37 -0.007 10.732 12.856 268 HD3 LYS 37 2HD LYS 37 0.426 11.444 11.299 269 HE2 LYS 37 1HE LYS 37 -1.728 12.175 11.458 270 HE3 LYS 37 2HE LYS 37 -2.009 10.627 10.662 271 HZ1 LYS 37 1HZ LYS 37 -3.282 10.047 12.357 272 HZ2 LYS 37 2HZ LYS 37 -2.970 11.510 13.145 273 HZ3 LYS 37 3HZ LYS 37 -1.967 10.174 13.414 274 H ALA 38 H ALA 38 2.128 8.594 7.134 275 HA ALA 38 HA ALA 38 0.186 9.094 5.197 276 HB1 ALA 38 1HB ALA 38 3.089 8.597 5.203 277 HB2 ALA 38 2HB ALA 38 2.261 8.290 3.675 278 HB3 ALA 38 3HB ALA 38 2.154 9.880 4.432 279 H ILE 39 H ILE 39 1.681 6.089 6.215 280 HA ILE 39 HA ILE 39 0.525 4.570 4.045 281 HB ILE 39 HB ILE 39 2.703 3.927 5.004 282 HG12 ILE 39 1HG1 ILE 39 2.177 1.491 5.301 283 HG13 ILE 39 2HG1 ILE 39 0.468 1.913 5.314 284 HG21 ILE 39 1HG2 ILE 39 1.232 2.966 7.439 285 HG22 ILE 39 2HG2 ILE 39 2.971 3.113 7.187 286 HG23 ILE 39 3HG2 ILE 39 1.981 4.561 7.367 287 HD11 ILE 39 1HD1 ILE 39 2.177 2.751 3.021 288 HD12 ILE 39 2HD1 ILE 39 1.589 1.091 3.127 289 HD13 ILE 39 3HD1 ILE 39 0.444 2.431 3.075 290 H ARG 40 H ARG 40 -0.361 5.525 7.230 291 HA ARG 40 HA ARG 40 -2.183 3.422 7.804 292 HB2 ARG 40 1HB ARG 40 -1.181 5.012 9.483 293 HB3 ARG 40 2HB ARG 40 -2.272 6.246 8.868 294 HG2 ARG 40 1HG ARG 40 -3.451 5.482 10.670 295 HG3 ARG 40 2HG ARG 40 -4.108 4.459 9.391 296 HD2 ARG 40 1HD ARG 40 -3.638 3.037 11.230 297 HD3 ARG 40 2HD ARG 40 -2.385 2.742 10.026 298 HE ARG 40 HE ARG 40 -1.392 4.679 11.731 299 HH11 ARG 40 1HH1 ARG 40 -2.469 1.375 11.953 300 HH12 ARG 40 2HH1 ARG 40 -1.416 0.984 13.272 301 HH21 ARG 40 1HH2 ARG 40 -0.002 4.176 13.468 302 HH22 ARG 40 2HH2 ARG 40 -0.014 2.578 14.134 303 H LYS 41 H LYS 41 -2.630 6.722 6.553 304 HA LYS 41 HA LYS 41 -5.407 6.633 6.265 305 HB2 LYS 41 1HB LYS 41 -5.144 8.498 4.709 306 HB3 LYS 41 2HB LYS 41 -4.103 8.706 6.111 307 HG2 LYS 41 1HG LYS 41 -2.182 7.974 4.834 308 HG3 LYS 41 2HG LYS 41 -3.208 7.662 3.432 309 HD2 LYS 41 1HD LYS 41 -3.856 10.107 3.530 310 HD3 LYS 41 2HD LYS 41 -2.553 10.313 4.703 311 HE2 LYS 41 1HE LYS 41 -0.994 9.333 3.005 312 HE3 LYS 41 2HE LYS 41 -2.319 9.386 1.844 313 HZ1 LYS 41 1HZ LYS 41 -1.285 11.363 1.426 314 HZ2 LYS 41 2HZ LYS 41 -0.800 11.597 3.029 315 HZ3 LYS 41 3HZ LYS 41 -2.409 11.869 2.585 316 H ILE 42 H ILE 42 -2.835 5.722 4.008 317 HA ILE 42 HA ILE 42 -4.429 5.172 1.780 318 HB ILE 42 HB ILE 42 -1.798 3.991 2.656 319 HG12 ILE 42 1HG1 ILE 42 -2.469 5.924 0.429 320 HG13 ILE 42 2HG1 ILE 42 -1.900 6.410 2.022 321 HG21 ILE 42 1HG2 ILE 42 -2.550 2.290 1.293 322 HG22 ILE 42 2HG2 ILE 42 -3.485 3.380 0.271 323 HG23 ILE 42 3HG2 ILE 42 -1.728 3.337 0.136 324 HD11 ILE 42 1HD1 ILE 42 -0.024 6.456 0.612 325 HD12 ILE 42 2HD1 ILE 42 0.139 4.987 1.574 326 HD13 ILE 42 3HD1 ILE 42 -0.418 4.890 -0.096 327 H MET 43 H MET 43 -3.433 3.074 4.460 328 HA MET 43 HA MET 43 -4.592 0.703 3.483 329 HB2 MET 43 1HB MET 43 -3.756 1.657 6.199 330 HB3 MET 43 2HB MET 43 -4.632 0.141 6.035 331 HG2 MET 43 1HG MET 43 -2.862 -0.548 4.369 332 HG3 MET 43 2HG MET 43 -1.950 0.863 4.901 333 HE1 MET 43 1HE MET 43 -0.842 0.281 8.324 334 HE2 MET 43 2HE MET 43 0.151 0.079 6.881 335 HE3 MET 43 3HE MET 43 -1.087 1.336 6.932 336 H ASP 44 H ASP 44 -5.813 3.004 5.920 337 HA ASP 44 HA ASP 44 -8.308 1.802 6.294 338 HB2 ASP 44 1HB ASP 44 -7.516 4.709 6.560 339 HB3 ASP 44 2HB ASP 44 -9.022 4.024 7.162 340 H GLU 45 H GLU 45 -7.224 4.182 3.931 341 HA GLU 45 HA GLU 45 -9.602 5.044 2.867 342 HB2 GLU 45 1HB GLU 45 -7.492 5.941 2.109 343 HB3 GLU 45 2HB GLU 45 -7.025 4.386 1.435 344 HG2 GLU 45 1HG GLU 45 -8.360 4.617 -0.396 345 HG3 GLU 45 2HG GLU 45 -9.523 5.643 0.442 346 H PHE 46 H PHE 46 -7.738 2.229 1.714 347 HA PHE 46 HA PHE 46 -10.141 1.252 0.355 348 HB2 PHE 46 1HB PHE 46 -7.332 0.154 0.174 349 HB3 PHE 46 2HB PHE 46 -8.685 -0.202 -0.894 350 HD1 PHE 46 2HD PHE 46 -9.415 1.409 -2.558 351 HD2 PHE 46 1HD PHE 46 -6.091 2.204 -0.021 352 HE1 PHE 46 2HE PHE 46 -8.728 3.248 -4.041 353 HE2 PHE 46 1HE PHE 46 -5.398 4.045 -1.500 354 HZ PHE 46 HZ PHE 46 -6.717 4.568 -3.513 355 H LYS 47 H LYS 47 -8.932 1.018 3.327 356 HA LYS 47 HA LYS 47 -9.127 -0.450 5.053 357 HB2 LYS 47 1HB LYS 47 -11.121 -1.790 3.216 358 HB3 LYS 47 2HB LYS 47 -10.966 -2.082 4.943 359 HG2 LYS 47 1HG LYS 47 -11.569 0.637 3.824 360 HG3 LYS 47 2HG LYS 47 -12.831 -0.539 4.202 361 HD2 LYS 47 1HD LYS 47 -12.097 -0.615 6.518 362 HD3 LYS 47 2HD LYS 47 -10.775 0.497 6.155 363 HE2 LYS 47 1HE LYS 47 -12.315 1.966 6.991 364 HE3 LYS 47 2HE LYS 47 -12.742 2.015 5.282 365 HZ1 LYS 47 1HZ LYS 47 -14.063 0.067 7.041 366 HZ2 LYS 47 2HZ LYS 47 -14.636 0.794 5.626 367 HZ3 LYS 47 3HZ LYS 47 -14.573 1.680 7.065 368 H VAL 48 H VAL 48 -6.971 -0.898 3.368 369 HA VAL 48 HA VAL 48 -6.794 -3.841 3.320 370 HB VAL 48 HB VAL 48 -5.027 -3.604 1.625 371 HG11 VAL 48 1HG1 VAL 48 -7.366 -3.940 0.948 372 HG12 VAL 48 2HG1 VAL 48 -7.578 -2.191 0.853 373 HG13 VAL 48 3HG1 VAL 48 -6.459 -3.006 -0.241 374 HG21 VAL 48 1HG2 VAL 48 -5.421 -0.748 2.233 375 HG22 VAL 48 2HG2 VAL 48 -3.975 -1.608 1.702 376 HG23 VAL 48 3HG2 VAL 48 -5.209 -1.148 0.528 377 H ASP 49 H ASP 49 -4.559 -4.685 3.665 378 HA ASP 49 HA ASP 49 -3.168 -3.080 5.709 379 HB2 ASP 49 1HB ASP 49 -4.361 -5.258 6.403 380 HB3 ASP 49 2HB ASP 49 -3.057 -6.085 5.554 381 H ILE 50 H ILE 50 -1.597 -2.135 4.486 382 HA ILE 50 HA ILE 50 -0.072 -3.639 2.559 383 HB ILE 50 HB ILE 50 0.360 -0.849 3.631 384 HG12 ILE 50 1HG1 ILE 50 -0.783 -1.707 0.968 385 HG13 ILE 50 2HG1 ILE 50 -1.776 -1.285 2.358 386 HG21 ILE 50 1HG2 ILE 50 2.315 -0.859 2.585 387 HG22 ILE 50 2HG2 ILE 50 2.055 -2.528 2.078 388 HG23 ILE 50 3HG2 ILE 50 1.490 -1.200 1.064 389 HD11 ILE 50 1HD1 ILE 50 0.181 0.539 0.982 390 HD12 ILE 50 2HD1 ILE 50 -1.573 0.569 0.797 391 HD13 ILE 50 3HD1 ILE 50 -0.844 0.960 2.354 392 H ARG 51 H ARG 51 1.563 -4.925 3.061 393 HA ARG 51 HA ARG 51 3.030 -4.437 5.565 394 HB2 ARG 51 1HB ARG 51 1.762 -6.683 4.973 395 HB3 ARG 51 2HB ARG 51 3.239 -7.018 4.079 396 HG2 ARG 51 1HG ARG 51 3.189 -6.272 6.992 397 HG3 ARG 51 2HG ARG 51 3.173 -7.935 6.399 398 HD2 ARG 51 1HD ARG 51 5.293 -7.461 5.191 399 HD3 ARG 51 2HD ARG 51 5.321 -5.868 5.945 400 HE ARG 51 HE ARG 51 6.043 -8.358 7.154 401 HH11 ARG 51 1HH1 ARG 51 4.785 -5.172 7.776 402 HH12 ARG 51 2HH1 ARG 51 5.322 -5.140 9.423 403 HH21 ARG 51 1HH2 ARG 51 6.755 -8.328 9.320 404 HH22 ARG 51 2HH2 ARG 51 6.443 -6.935 10.300 405 H PHE 52 H PHE 52 4.914 -3.457 5.284 406 HA PHE 52 HA PHE 52 6.278 -3.527 2.740 407 HB2 PHE 52 1HB PHE 52 6.716 -2.090 5.338 408 HB3 PHE 52 2HB PHE 52 7.992 -2.132 4.126 409 HD1 PHE 52 2HD PHE 52 4.616 -0.929 4.898 410 HD2 PHE 52 1HD PHE 52 7.809 -0.896 2.083 411 HE1 PHE 52 2HE PHE 52 3.561 0.961 3.729 412 HE2 PHE 52 1HE PHE 52 6.759 0.996 0.910 413 HZ PHE 52 HZ PHE 52 4.632 1.926 1.732 414 HA PRO 53 HA PRO 53 9.143 -6.751 3.551 415 HB2 PRO 53 1HB PRO 53 11.333 -5.853 2.221 416 HB3 PRO 53 2HB PRO 53 9.892 -6.463 1.398 417 HG2 PRO 53 1HG PRO 53 10.718 -3.634 1.925 418 HG3 PRO 53 2HG PRO 53 10.033 -4.343 0.451 419 HD2 PRO 53 1HD PRO 53 8.545 -2.924 2.212 420 HD3 PRO 53 2HD PRO 53 7.879 -4.271 1.266 421 H GLN 54 H GLN 54 9.901 -7.021 5.562 422 HA GLN 54 HA GLN 54 11.066 -5.061 7.171 423 HB2 GLN 54 1HB GLN 54 11.827 -6.958 8.588 424 HB3 GLN 54 2HB GLN 54 10.127 -7.052 8.150 425 HG2 GLN 54 1HG GLN 54 10.461 -8.827 6.705 426 HG3 GLN 54 2HG GLN 54 12.182 -8.488 6.528 427 HE21 GLN 54 1HE2 GLN 54 9.793 -10.191 8.256 428 HE22 GLN 54 2HE2 GLN 54 10.836 -10.971 9.390 429 H SER 55 H SER 55 13.355 -5.562 8.207 430 HA SER 55 HA SER 55 15.280 -4.764 6.377 431 HB2 SER 55 1HB SER 55 15.374 -4.639 8.925 432 HB3 SER 55 2HB SER 55 15.922 -6.315 8.887 433 HG SER 55 HG SER 55 17.807 -5.692 8.149 434 H GLY 56 H GLY 56 14.886 -8.008 7.815 435 HA2 GLY 56 1HA GLY 56 16.761 -9.139 5.917 436 HA3 GLY 56 2HA GLY 56 15.912 -10.003 7.190 437 H ALA 57 H ALA 57 14.054 -8.003 5.086 438 HA ALA 57 HA ALA 57 12.442 -10.168 4.229 439 HB1 ALA 57 1HB ALA 57 11.317 -8.510 2.816 440 HB2 ALA 57 2HB ALA 57 11.543 -7.923 4.464 441 HB3 ALA 57 3HB ALA 57 12.596 -7.348 3.171 442 HA PRO 58 HA PRO 58 14.608 -11.632 0.692 443 HB2 PRO 58 1HB PRO 58 12.525 -12.616 -0.745 444 HB3 PRO 58 2HB PRO 58 13.147 -13.405 0.710 445 HG2 PRO 58 1HG PRO 58 10.767 -11.616 0.395 446 HG3 PRO 58 2HG PRO 58 10.922 -13.120 1.323 447 HD2 PRO 58 1HD PRO 58 11.046 -10.675 2.480 448 HD3 PRO 58 2HD PRO 58 11.959 -12.069 3.093 449 H ASP 59 H ASP 59 11.831 -9.510 0.238 450 HA ASP 59 HA ASP 59 13.153 -8.401 -2.145 451 HB2 ASP 59 1HB ASP 59 10.175 -8.847 -1.841 452 HB3 ASP 59 2HB ASP 59 10.974 -8.099 -3.221 453 HA PRO 60 HA PRO 60 12.492 -4.991 0.827 454 HB2 PRO 60 1HB PRO 60 14.659 -3.580 0.001 455 HB3 PRO 60 2HB PRO 60 14.761 -4.899 1.174 456 HG2 PRO 60 1HG PRO 60 15.342 -4.925 -1.763 457 HG3 PRO 60 2HG PRO 60 16.252 -5.670 -0.436 458 HD2 PRO 60 1HD PRO 60 14.570 -7.081 -2.020 459 HD3 PRO 60 2HD PRO 60 14.831 -7.481 -0.311 460 H ASN 61 H ASN 61 12.208 -5.360 -2.471 461 HA ASN 61 HA ASN 61 11.432 -2.541 -2.844 462 HB2 ASN 61 1HB ASN 61 11.621 -3.341 -5.372 463 HB3 ASN 61 2HB ASN 61 13.031 -2.787 -4.474 464 HD21 ASN 61 1HD2 ASN 61 14.663 -4.172 -4.068 465 HD22 ASN 61 2HD2 ASN 61 14.695 -5.817 -4.595 466 H CYS 62 H CYS 62 10.041 -5.241 -1.998 467 HA CYS 62 HA CYS 62 7.654 -4.776 -3.657 468 HB2 CYS 62 1HB CYS 62 8.995 -6.972 -4.064 469 HB3 CYS 62 2HB CYS 62 8.284 -7.491 -2.541 470 HG CYS 62 HG CYS 62 5.895 -6.282 -4.421 471 H VAL 63 H VAL 63 5.724 -4.675 -2.605 472 HA VAL 63 HA VAL 63 5.814 -4.954 0.329 473 HB VAL 63 HB VAL 63 4.097 -3.242 0.484 474 HG11 VAL 63 1HG1 VAL 63 6.168 -2.080 -1.340 475 HG12 VAL 63 2HG1 VAL 63 5.460 -1.397 0.126 476 HG13 VAL 63 3HG1 VAL 63 6.619 -2.723 0.239 477 HG21 VAL 63 1HG2 VAL 63 2.826 -3.529 -1.482 478 HG22 VAL 63 2HG2 VAL 63 3.552 -1.927 -1.617 479 HG23 VAL 63 3HG2 VAL 63 4.230 -3.282 -2.520 480 H THR 64 H THR 64 4.425 -6.318 1.263 481 HA THR 64 HA THR 64 2.575 -7.788 -0.436 482 HB THR 64 HB THR 64 3.274 -8.237 2.472 483 HG1 THR 64 1HG THR 64 4.979 -9.227 1.723 484 HG21 THR 64 1HG2 THR 64 2.280 -10.443 2.151 485 HG22 THR 64 2HG2 THR 64 1.869 -10.029 0.487 486 HG23 THR 64 3HG2 THR 64 1.098 -9.176 1.825 487 H VAL 65 H VAL 65 0.714 -6.705 -0.763 488 HA VAL 65 HA VAL 65 -0.574 -5.327 1.467 489 HB VAL 65 HB VAL 65 -1.345 -5.440 -1.452 490 HG11 VAL 65 1HG1 VAL 65 -2.391 -3.287 0.245 491 HG12 VAL 65 2HG1 VAL 65 -3.193 -4.243 -1.003 492 HG13 VAL 65 3HG1 VAL 65 -3.009 -4.894 0.626 493 HG21 VAL 65 1HG2 VAL 65 -0.581 -3.054 -1.422 494 HG22 VAL 65 2HG2 VAL 65 0.100 -3.356 0.176 495 HG23 VAL 65 3HG2 VAL 65 0.707 -4.242 -1.223 496 H THR 66 H THR 66 -2.322 -6.070 2.504 497 HA THR 66 HA THR 66 -3.477 -8.611 1.577 498 HB THR 66 HB THR 66 -3.962 -7.553 4.332 499 HG1 THR 66 1HG THR 66 -1.698 -7.409 4.061 500 HG21 THR 66 1HG2 THR 66 -3.682 -10.288 3.091 501 HG22 THR 66 2HG2 THR 66 -5.141 -9.546 3.749 502 HG23 THR 66 3HG2 THR 66 -3.827 -10.015 4.827 503 H GLY 67 H GLY 67 -5.790 -8.945 1.915 504 HA2 GLY 67 1HA GLY 67 -7.908 -7.761 2.564 505 HA3 GLY 67 2HA GLY 67 -7.289 -6.416 1.616 506 H LEU 68 H LEU 68 -9.771 -7.473 1.089 507 HA LEU 68 HA LEU 68 -10.044 -9.516 -0.710 508 HB2 LEU 68 1HB LEU 68 -11.439 -6.864 -0.530 509 HB3 LEU 68 2HB LEU 68 -11.901 -8.076 -1.723 510 HG LEU 68 HG LEU 68 -13.412 -8.247 0.106 511 HD11 LEU 68 1HD1 LEU 68 -12.363 -10.353 -0.907 512 HD12 LEU 68 2HD1 LEU 68 -13.237 -10.515 0.615 513 HD13 LEU 68 3HD1 LEU 68 -11.474 -10.478 0.611 514 HD21 LEU 68 1HD2 LEU 68 -11.900 -7.091 1.739 515 HD22 LEU 68 2HD2 LEU 68 -11.068 -8.630 1.958 516 HD23 LEU 68 3HD2 LEU 68 -12.773 -8.480 2.387 517 HA PRO 69 HA PRO 69 -7.930 -8.449 -4.408 518 HB2 PRO 69 1HB PRO 69 -9.519 -9.630 -6.266 519 HB3 PRO 69 2HB PRO 69 -8.472 -10.546 -5.175 520 HG2 PRO 69 1HG PRO 69 -11.409 -10.004 -4.971 521 HG3 PRO 69 2HG PRO 69 -10.527 -11.513 -4.673 522 HD2 PRO 69 1HD PRO 69 -11.352 -9.888 -2.670 523 HD3 PRO 69 2HD PRO 69 -9.869 -10.859 -2.563 524 H GLU 70 H GLU 70 -11.203 -7.469 -3.901 525 HA GLU 70 HA GLU 70 -11.371 -5.859 -6.291 526 HB2 GLU 70 1HB GLU 70 -13.531 -5.144 -5.425 527 HB3 GLU 70 2HB GLU 70 -13.382 -6.893 -5.326 528 HG2 GLU 70 1HG GLU 70 -13.039 -6.826 -2.987 529 HG3 GLU 70 2HG GLU 70 -12.823 -5.076 -3.002 530 H ASN 71 H ASN 71 -10.518 -5.425 -2.935 531 HA ASN 71 HA ASN 71 -10.451 -2.526 -3.190 532 HB2 ASN 71 1HB ASN 71 -9.912 -4.403 -0.887 533 HB3 ASN 71 2HB ASN 71 -9.649 -2.664 -0.782 534 HD21 ASN 71 1HD2 ASN 71 -11.493 -4.373 0.691 535 HD22 ASN 71 2HD2 ASN 71 -13.071 -3.730 0.406 536 H VAL 72 H VAL 72 -8.207 -5.221 -2.676 537 HA VAL 72 HA VAL 72 -5.836 -3.881 -2.326 538 HB VAL 72 HB VAL 72 -6.414 -6.450 -3.783 539 HG11 VAL 72 1HG1 VAL 72 -3.795 -5.049 -3.390 540 HG12 VAL 72 2HG1 VAL 72 -3.880 -6.809 -3.487 541 HG13 VAL 72 3HG1 VAL 72 -4.437 -5.822 -4.839 542 HG21 VAL 72 1HG2 VAL 72 -4.943 -6.029 -1.196 543 HG22 VAL 72 2HG2 VAL 72 -6.697 -6.197 -1.268 544 HG23 VAL 72 3HG2 VAL 72 -5.662 -7.514 -1.821 545 H GLU 73 H GLU 73 -7.355 -4.760 -5.421 546 HA GLU 73 HA GLU 73 -5.423 -3.818 -7.156 547 HB2 GLU 73 1HB GLU 73 -7.140 -3.692 -8.831 548 HB3 GLU 73 2HB GLU 73 -7.476 -5.077 -7.802 549 HG2 GLU 73 1HG GLU 73 -9.042 -3.517 -6.522 550 HG3 GLU 73 2HG GLU 73 -8.890 -2.440 -7.910 551 H GLU 74 H GLU 74 -8.141 -2.025 -5.730 552 HA GLU 74 HA GLU 74 -7.633 0.430 -6.982 553 HB2 GLU 74 1HB GLU 74 -9.003 -0.278 -4.394 554 HB3 GLU 74 2HB GLU 74 -8.884 1.381 -4.964 555 HG2 GLU 74 1HG GLU 74 -9.962 -0.663 -6.826 556 HG3 GLU 74 2HG GLU 74 -10.979 -0.128 -5.488 557 H ALA 75 H ALA 75 -6.497 -0.883 -3.895 558 HA ALA 75 HA ALA 75 -5.164 1.379 -2.947 559 HB1 ALA 75 1HB ALA 75 -4.416 0.043 -1.287 560 HB2 ALA 75 2HB ALA 75 -5.604 -1.077 -1.955 561 HB3 ALA 75 3HB ALA 75 -3.903 -1.231 -2.394 562 H ILE 76 H ILE 76 -3.854 -1.361 -4.814 563 HA ILE 76 HA ILE 76 -1.236 -0.633 -5.044 564 HB ILE 76 HB ILE 76 -2.991 -1.811 -7.200 565 HG12 ILE 76 1HG1 ILE 76 -1.125 -3.063 -5.174 566 HG13 ILE 76 2HG1 ILE 76 -2.882 -3.170 -5.181 567 HG21 ILE 76 1HG2 ILE 76 -0.608 -2.718 -7.886 568 HG22 ILE 76 2HG2 ILE 76 -1.206 -1.165 -8.469 569 HG23 ILE 76 3HG2 ILE 76 -0.079 -1.223 -7.114 570 HD11 ILE 76 1HD1 ILE 76 -2.374 -5.172 -6.114 571 HD12 ILE 76 2HD1 ILE 76 -2.441 -4.190 -7.578 572 HD13 ILE 76 3HD1 ILE 76 -0.884 -4.580 -6.848 573 H ASP 77 H ASP 77 -3.783 0.316 -7.358 574 HA ASP 77 HA ASP 77 -2.400 1.931 -9.042 575 HB2 ASP 77 1HB ASP 77 -4.875 1.430 -9.098 576 HB3 ASP 77 2HB ASP 77 -5.090 2.712 -7.909 577 H HIS 78 H HIS 78 -3.715 2.901 -5.887 578 HA HIS 78 HA HIS 78 -2.840 5.577 -5.994 579 HB2 HIS 78 1HB HIS 78 -4.551 4.839 -4.414 580 HB3 HIS 78 2HB HIS 78 -3.376 3.815 -3.593 581 HD1 HIS 78 1HD HIS 78 -4.981 6.921 -3.178 582 HD2 HIS 78 2HD HIS 78 -1.070 5.616 -2.666 583 HE1 HIS 78 1HE HIS 78 -3.907 8.600 -1.645 584 H ILE 79 H ILE 79 -1.317 2.627 -4.802 585 HA ILE 79 HA ILE 79 0.900 3.797 -3.546 586 HB ILE 79 HB ILE 79 0.671 1.106 -4.897 587 HG12 ILE 79 1HG1 ILE 79 0.524 1.828 -1.964 588 HG13 ILE 79 2HG1 ILE 79 -0.886 1.574 -2.986 589 HG21 ILE 79 1HG2 ILE 79 2.984 1.582 -4.745 590 HG22 ILE 79 2HG2 ILE 79 2.811 2.256 -3.125 591 HG23 ILE 79 3HG2 ILE 79 2.606 0.524 -3.386 592 HD11 ILE 79 1HD1 ILE 79 0.332 -0.723 -3.461 593 HD12 ILE 79 2HD1 ILE 79 1.036 -0.384 -1.879 594 HD13 ILE 79 3HD1 ILE 79 -0.715 -0.486 -2.062 595 H LEU 80 H LEU 80 0.723 2.320 -6.792 596 HA LEU 80 HA LEU 80 3.263 3.030 -7.655 597 HB2 LEU 80 1HB LEU 80 0.689 2.452 -9.048 598 HB3 LEU 80 2HB LEU 80 2.060 3.045 -9.982 599 HG LEU 80 HG LEU 80 2.280 0.613 -8.233 600 HD11 LEU 80 1HD1 LEU 80 1.358 0.750 -11.098 601 HD12 LEU 80 2HD1 LEU 80 0.444 0.150 -9.715 602 HD13 LEU 80 3HD1 LEU 80 1.870 -0.723 -10.275 603 HD21 LEU 80 1HD2 LEU 80 4.351 1.663 -9.006 604 HD22 LEU 80 2HD2 LEU 80 3.791 1.539 -10.674 605 HD23 LEU 80 3HD2 LEU 80 4.116 0.077 -9.741 606 H ASN 81 H ASN 81 0.316 4.914 -7.535 607 HA ASN 81 HA ASN 81 1.069 7.027 -9.219 608 HB2 ASN 81 1HB ASN 81 -1.180 7.080 -8.676 609 HB3 ASN 81 2HB ASN 81 -0.886 6.719 -6.977 610 HD21 ASN 81 1HD2 ASN 81 -2.128 8.407 -6.236 611 HD22 ASN 81 2HD2 ASN 81 -1.647 10.059 -6.389 612 H LEU 82 H LEU 82 1.481 6.594 -5.719 613 HA LEU 82 HA LEU 82 2.757 9.096 -5.298 614 HB2 LEU 82 1HB LEU 82 2.877 6.577 -3.645 615 HB3 LEU 82 2HB LEU 82 3.377 8.182 -3.115 616 HG LEU 82 HG LEU 82 0.555 7.399 -3.842 617 HD11 LEU 82 1HD1 LEU 82 1.422 6.300 -1.790 618 HD12 LEU 82 2HD1 LEU 82 0.086 7.410 -1.492 619 HD13 LEU 82 3HD1 LEU 82 1.738 7.899 -1.116 620 HD21 LEU 82 1HD2 LEU 82 0.281 9.622 -2.418 621 HD22 LEU 82 2HD2 LEU 82 0.513 9.650 -4.166 622 HD23 LEU 82 3HD2 LEU 82 1.879 9.945 -3.090 623 H GLU 83 H GLU 83 3.892 5.894 -6.146 624 HA GLU 83 HA GLU 83 6.602 6.152 -5.570 625 HB2 GLU 83 1HB GLU 83 5.498 4.047 -6.275 626 HB3 GLU 83 2HB GLU 83 5.367 4.686 -7.908 627 HG2 GLU 83 1HG GLU 83 7.944 4.959 -7.723 628 HG3 GLU 83 2HG GLU 83 7.788 3.783 -6.419 629 H GLU 84 H GLU 84 5.060 6.639 -8.754 630 HA GLU 84 HA GLU 84 7.357 7.847 -9.898 631 HB2 GLU 84 1HB GLU 84 5.254 6.725 -11.010 632 HB3 GLU 84 2HB GLU 84 4.608 8.359 -10.963 633 HG2 GLU 84 1HG GLU 84 5.554 8.355 -13.032 634 HG3 GLU 84 2HG GLU 84 6.904 8.961 -12.075 635 H GLU 85 H GLU 85 4.549 9.086 -8.215 636 HA GLU 85 HA GLU 85 4.801 11.797 -8.934 637 HB2 GLU 85 1HB GLU 85 2.758 11.050 -7.941 638 HB3 GLU 85 2HB GLU 85 3.596 10.461 -6.512 639 HG2 GLU 85 1HG GLU 85 2.376 12.556 -6.118 640 HG3 GLU 85 2HG GLU 85 4.107 12.704 -5.822 641 H TYR 86 H TYR 86 6.224 9.896 -6.325 642 HA TYR 86 HA TYR 86 7.464 12.139 -5.052 643 HB2 TYR 86 1HB TYR 86 7.638 9.163 -4.744 644 HB3 TYR 86 2HB TYR 86 8.832 10.192 -3.961 645 HD1 TYR 86 2HD TYR 86 7.236 12.482 -3.094 646 HD2 TYR 86 1HD TYR 86 6.285 8.335 -3.049 647 HE1 TYR 86 2HE TYR 86 5.685 12.864 -1.224 648 HE2 TYR 86 1HE TYR 86 4.730 8.705 -1.180 649 HH TYR 86 HH TYR 86 3.539 11.605 -0.327 650 H LEU 87 H LEU 87 8.702 9.444 -7.026 651 HA LEU 87 HA LEU 87 11.366 10.245 -7.128 652 HB2 LEU 87 1HB LEU 87 9.727 8.775 -9.186 653 HB3 LEU 87 2HB LEU 87 11.483 8.914 -9.222 654 HG LEU 87 HG LEU 87 9.954 7.595 -6.984 655 HD11 LEU 87 1HD1 LEU 87 10.204 6.653 -9.582 656 HD12 LEU 87 2HD1 LEU 87 9.807 5.708 -8.146 657 HD13 LEU 87 3HD1 LEU 87 11.482 5.830 -8.686 658 HD21 LEU 87 1HD2 LEU 87 12.074 6.742 -6.303 659 HD22 LEU 87 2HD2 LEU 87 12.245 8.485 -6.514 660 HD23 LEU 87 3HD2 LEU 87 12.860 7.382 -7.746 661 H ALA 88 H ALA 88 8.596 11.308 -8.991 662 HA ALA 88 HA ALA 88 9.935 12.646 -11.059 663 HB1 ALA 88 1HB ALA 88 7.531 12.157 -11.089 664 HB2 ALA 88 2HB ALA 88 7.280 13.350 -9.814 665 HB3 ALA 88 3HB ALA 88 7.860 13.862 -11.399 666 H ASP 89 H ASP 89 9.578 13.418 -7.731 667 HA ASP 89 HA ASP 89 10.096 16.246 -8.068 668 HB2 ASP 89 1HB ASP 89 8.725 15.052 -6.181 669 HB3 ASP 89 2HB ASP 89 10.305 14.828 -5.437 670 H SER 90 H SER 90 12.073 14.675 -9.256 671 HA SER 90 HA SER 90 14.320 14.240 -9.297 672 HB2 SER 90 1HB SER 90 14.225 16.719 -9.471 673 HB3 SER 90 2HB SER 90 14.400 16.824 -7.720 674 HG SER 90 HG SER 90 16.409 17.053 -8.761 675 H GLY 91 H GLY 91 13.025 12.867 -7.216 676 HA2 GLY 91 1HA GLY 91 14.147 13.130 -4.680 677 HA3 GLY 91 2HA GLY 91 13.537 11.626 -5.355 678 HA PRO 92 HA PRO 92 18.044 11.033 -4.580 679 HB2 PRO 92 1HB PRO 92 17.771 8.507 -3.622 680 HB3 PRO 92 2HB PRO 92 17.597 9.944 -2.607 681 HG2 PRO 92 1HG PRO 92 15.477 8.250 -3.871 682 HG3 PRO 92 2HG PRO 92 15.536 8.933 -2.235 683 HD2 PRO 92 1HD PRO 92 14.081 10.048 -4.229 684 HD3 PRO 92 2HD PRO 92 14.836 11.012 -2.943 685 H SER 93 H SER 93 19.458 10.053 -5.943 686 HA SER 93 HA SER 93 20.270 8.816 -7.677 687 HB2 SER 93 1HB SER 93 17.746 7.162 -7.546 688 HB3 SER 93 2HB SER 93 19.319 6.685 -8.183 689 HG SER 93 HG SER 93 20.138 6.763 -6.075 690 H SER 94 H SER 94 18.740 11.171 -8.125 691 HA SER 94 HA SER 94 17.633 10.568 -10.789 692 HB2 SER 94 1HB SER 94 16.569 12.321 -8.611 693 HB3 SER 94 2HB SER 94 16.287 12.787 -10.288 694 HG SER 94 HG SER 94 14.790 11.330 -10.354 695 H GLY 95 H GLY 95 19.233 11.169 -12.131 696 HA2 GLY 95 1HA GLY 95 20.839 13.521 -11.578 697 HA3 GLY 95 2HA GLY 95 21.035 12.415 -12.929 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -39.520 -4.686 -4.798 2 HA2 GLY 1 1HA GLY 1 -37.170 -5.040 -4.439 3 HA3 GLY 1 2HA GLY 1 -36.855 -4.209 -5.955 4 H SER 2 H SER 2 -36.462 -3.904 -2.771 5 HA SER 2 HA SER 2 -37.328 -1.202 -2.352 6 HB2 SER 2 1HB SER 2 -36.829 -3.147 -0.622 7 HB3 SER 2 2HB SER 2 -35.210 -2.448 -0.651 8 HG SER 2 HG SER 2 -37.372 -1.570 0.635 9 H SER 3 H SER 3 -35.615 0.409 -1.497 10 HA SER 3 HA SER 3 -33.742 0.833 -3.655 11 HB2 SER 3 1HB SER 3 -34.778 2.451 -1.372 12 HB3 SER 3 2HB SER 3 -33.226 2.909 -2.072 13 HG SER 3 HG SER 3 -34.597 2.621 -4.151 14 H GLY 4 H GLY 4 -31.480 1.486 -3.203 15 HA2 GLY 4 1HA GLY 4 -30.141 0.916 -0.814 16 HA3 GLY 4 2HA GLY 4 -30.117 -0.542 -1.795 17 H SER 5 H SER 5 -27.814 0.883 -1.010 18 HA SER 5 HA SER 5 -26.778 1.601 -3.655 19 HB2 SER 5 1HB SER 5 -26.358 3.240 -1.145 20 HB3 SER 5 2HB SER 5 -25.519 3.502 -2.674 21 HG SER 5 HG SER 5 -27.707 3.734 -3.585 22 H SER 6 H SER 6 -24.623 1.102 -3.994 23 HA SER 6 HA SER 6 -23.540 -0.899 -2.213 24 HB2 SER 6 1HB SER 6 -21.881 -1.275 -3.943 25 HB3 SER 6 2HB SER 6 -23.472 -1.151 -4.693 26 HG SER 6 HG SER 6 -22.727 1.242 -4.798 27 H GLY 7 H GLY 7 -22.742 -0.004 -0.374 28 HA2 GLY 7 1HA GLY 7 -20.973 2.320 -0.572 29 HA3 GLY 7 2HA GLY 7 -21.631 1.641 0.910 30 H ARG 8 H ARG 8 -19.514 1.735 1.818 31 HA ARG 8 HA ARG 8 -17.456 0.053 0.648 32 HB2 ARG 8 1HB ARG 8 -17.588 2.052 2.846 33 HB3 ARG 8 2HB ARG 8 -16.359 0.800 2.968 34 HG2 ARG 8 1HG ARG 8 -16.694 2.522 0.530 35 HG3 ARG 8 2HG ARG 8 -15.649 2.957 1.883 36 HD2 ARG 8 1HD ARG 8 -14.208 1.162 1.504 37 HD3 ARG 8 2HD ARG 8 -15.399 0.293 0.537 38 HE ARG 8 HE ARG 8 -13.584 2.343 -0.367 39 HH11 ARG 8 1HH1 ARG 8 -16.538 0.615 -1.002 40 HH12 ARG 8 2HH1 ARG 8 -16.512 0.934 -2.704 41 HH21 ARG 8 1HH2 ARG 8 -13.539 2.771 -2.607 42 HH22 ARG 8 2HH2 ARG 8 -14.805 2.160 -3.616 43 H ILE 9 H ILE 9 -16.292 -1.509 2.077 44 HA ILE 9 HA ILE 9 -17.750 -2.672 4.268 45 HB ILE 9 HB ILE 9 -17.792 -4.962 3.126 46 HG12 ILE 9 1HG1 ILE 9 -18.200 -4.764 0.626 47 HG13 ILE 9 2HG1 ILE 9 -17.525 -3.141 0.732 48 HG21 ILE 9 1HG2 ILE 9 -19.756 -3.460 3.691 49 HG22 ILE 9 2HG2 ILE 9 -19.740 -2.972 1.997 50 HG23 ILE 9 3HG2 ILE 9 -20.023 -4.659 2.426 51 HD11 ILE 9 1HD1 ILE 9 -15.442 -3.909 0.757 52 HD12 ILE 9 2HD1 ILE 9 -15.821 -5.145 1.958 53 HD13 ILE 9 3HD1 ILE 9 -16.129 -5.451 0.249 54 H VAL 10 H VAL 10 -16.603 -4.532 5.211 55 HA VAL 10 HA VAL 10 -13.709 -4.254 4.798 56 HB VAL 10 HB VAL 10 -15.146 -5.511 7.139 57 HG11 VAL 10 1HG1 VAL 10 -12.909 -6.358 6.907 58 HG12 VAL 10 2HG1 VAL 10 -12.267 -4.727 6.704 59 HG13 VAL 10 3HG1 VAL 10 -12.946 -5.222 8.255 60 HG21 VAL 10 1HG2 VAL 10 -13.875 -3.134 7.918 61 HG22 VAL 10 2HG2 VAL 10 -14.772 -2.749 6.450 62 HG23 VAL 10 3HG2 VAL 10 -15.608 -3.450 7.835 63 H GLY 11 H GLY 11 -16.312 -6.619 4.928 64 HA2 GLY 11 1HA GLY 11 -16.414 -8.694 3.900 65 HA3 GLY 11 2HA GLY 11 -14.761 -8.464 3.349 66 H GLU 12 H GLU 12 -14.884 -10.860 3.966 67 HA GLU 12 HA GLU 12 -14.504 -11.286 6.834 68 HB2 GLU 12 1HB GLU 12 -14.818 -13.200 4.522 69 HB3 GLU 12 2HB GLU 12 -14.452 -13.719 6.161 70 HG2 GLU 12 1HG GLU 12 -16.950 -12.453 5.109 71 HG3 GLU 12 2HG GLU 12 -16.755 -13.983 5.962 72 H LEU 13 H LEU 13 -12.618 -12.063 7.725 73 HA LEU 13 HA LEU 13 -10.196 -11.240 6.685 74 HB2 LEU 13 1HB LEU 13 -10.982 -13.210 8.778 75 HB3 LEU 13 2HB LEU 13 -9.294 -13.128 8.280 76 HG LEU 13 HG LEU 13 -9.708 -11.817 10.299 77 HD11 LEU 13 1HD1 LEU 13 -9.256 -9.721 8.256 78 HD12 LEU 13 2HD1 LEU 13 -8.171 -11.111 8.249 79 HD13 LEU 13 3HD1 LEU 13 -8.326 -10.121 9.700 80 HD21 LEU 13 1HD2 LEU 13 -11.257 -10.135 10.483 81 HD22 LEU 13 2HD2 LEU 13 -12.119 -11.262 9.436 82 HD23 LEU 13 3HD2 LEU 13 -11.320 -9.850 8.744 83 H GLU 14 H GLU 14 -11.360 -14.613 6.828 84 HA GLU 14 HA GLU 14 -9.326 -15.794 5.378 85 HB2 GLU 14 1HB GLU 14 -12.257 -16.536 5.427 86 HB3 GLU 14 2HB GLU 14 -10.969 -17.573 4.830 87 HG2 GLU 14 1HG GLU 14 -9.949 -17.566 7.062 88 HG3 GLU 14 2HG GLU 14 -11.279 -16.571 7.651 89 H GLN 15 H GLN 15 -12.161 -14.067 4.229 90 HA GLN 15 HA GLN 15 -11.925 -14.782 1.502 91 HB2 GLN 15 1HB GLN 15 -13.297 -12.529 2.946 92 HB3 GLN 15 2HB GLN 15 -13.286 -12.610 1.189 93 HG2 GLN 15 1HG GLN 15 -14.179 -14.977 2.764 94 HG3 GLN 15 2HG GLN 15 -15.268 -13.608 2.544 95 HE21 GLN 15 1HE2 GLN 15 -16.082 -13.160 0.515 96 HE22 GLN 15 2HE2 GLN 15 -15.967 -14.272 -0.802 97 H MET 16 H MET 16 -10.355 -12.402 3.488 98 HA MET 16 HA MET 16 -9.467 -10.603 1.553 99 HB2 MET 16 1HB MET 16 -8.024 -11.494 4.056 100 HB3 MET 16 2HB MET 16 -7.681 -10.033 3.139 101 HG2 MET 16 1HG MET 16 -10.059 -9.333 3.606 102 HG3 MET 16 2HG MET 16 -10.134 -10.676 4.744 103 HE1 MET 16 1HE MET 16 -10.841 -7.853 5.557 104 HE2 MET 16 2HE MET 16 -10.670 -8.995 6.890 105 HE3 MET 16 3HE MET 16 -9.871 -7.424 6.967 106 H VAL 17 H VAL 17 -7.524 -10.427 0.390 107 HA VAL 17 HA VAL 17 -6.012 -12.936 0.076 108 HB VAL 17 HB VAL 17 -5.773 -12.408 -2.338 109 HG11 VAL 17 1HG1 VAL 17 -7.683 -13.812 -1.176 110 HG12 VAL 17 2HG1 VAL 17 -8.704 -12.545 -1.858 111 HG13 VAL 17 3HG1 VAL 17 -7.683 -13.522 -2.915 112 HG21 VAL 17 1HG2 VAL 17 -6.867 -10.673 -3.390 113 HG22 VAL 17 2HG2 VAL 17 -8.065 -10.507 -2.107 114 HG23 VAL 17 3HG2 VAL 17 -6.419 -9.926 -1.857 115 H SER 18 H SER 18 -3.816 -12.747 -0.379 116 HA SER 18 HA SER 18 -2.692 -10.080 0.148 117 HB2 SER 18 1HB SER 18 -1.578 -12.847 0.632 118 HB3 SER 18 2HB SER 18 -0.612 -11.379 0.781 119 HG SER 18 HG SER 18 -3.048 -11.487 2.140 120 H GLU 19 H GLU 19 -1.872 -9.057 -1.542 121 HA GLU 19 HA GLU 19 -0.791 -10.656 -3.768 122 HB2 GLU 19 1HB GLU 19 -2.402 -8.152 -3.691 123 HB3 GLU 19 2HB GLU 19 -1.202 -8.312 -4.966 124 HG2 GLU 19 1HG GLU 19 -3.295 -10.396 -4.425 125 HG3 GLU 19 2HG GLU 19 -3.539 -9.049 -5.535 126 H ASP 20 H ASP 20 0.983 -9.642 -4.983 127 HA ASP 20 HA ASP 20 2.784 -8.201 -3.158 128 HB2 ASP 20 1HB ASP 20 4.570 -9.031 -4.794 129 HB3 ASP 20 2HB ASP 20 3.800 -10.240 -3.770 130 H VAL 21 H VAL 21 3.185 -6.137 -3.561 131 HA VAL 21 HA VAL 21 2.774 -5.133 -6.302 132 HB VAL 21 HB VAL 21 2.685 -3.335 -3.910 133 HG11 VAL 21 1HG1 VAL 21 2.133 -3.167 -6.750 134 HG12 VAL 21 2HG1 VAL 21 0.780 -2.590 -5.776 135 HG13 VAL 21 3HG1 VAL 21 2.382 -1.880 -5.571 136 HG21 VAL 21 1HG2 VAL 21 1.145 -5.129 -3.360 137 HG22 VAL 21 2HG2 VAL 21 0.251 -3.667 -3.774 138 HG23 VAL 21 3HG2 VAL 21 0.377 -4.983 -4.941 139 HA PRO 22 HA PRO 22 7.161 -4.354 -6.121 140 HB2 PRO 22 1HB PRO 22 7.343 -3.263 -8.600 141 HB3 PRO 22 2HB PRO 22 7.212 -5.004 -8.324 142 HG2 PRO 22 1HG PRO 22 5.084 -3.041 -9.088 143 HG3 PRO 22 2HG PRO 22 5.377 -4.674 -9.714 144 HD2 PRO 22 1HD PRO 22 3.463 -4.141 -7.875 145 HD3 PRO 22 2HD PRO 22 4.340 -5.684 -7.921 146 H LEU 23 H LEU 23 7.478 -2.728 -4.658 147 HA LEU 23 HA LEU 23 6.981 0.018 -5.606 148 HB2 LEU 23 1HB LEU 23 5.550 -0.608 -3.711 149 HB3 LEU 23 2HB LEU 23 6.987 -0.987 -2.763 150 HG LEU 23 HG LEU 23 7.649 1.422 -2.969 151 HD11 LEU 23 1HD1 LEU 23 6.497 2.221 -4.832 152 HD12 LEU 23 2HD1 LEU 23 5.650 2.945 -3.466 153 HD13 LEU 23 3HD1 LEU 23 4.960 1.546 -4.289 154 HD21 LEU 23 1HD2 LEU 23 6.450 2.023 -1.102 155 HD22 LEU 23 2HD2 LEU 23 6.260 0.269 -1.078 156 HD23 LEU 23 3HD2 LEU 23 4.957 1.289 -1.690 157 H ASP 24 H ASP 24 8.679 1.356 -5.696 158 HA ASP 24 HA ASP 24 11.306 0.399 -5.420 159 HB2 ASP 24 1HB ASP 24 10.513 2.331 -6.863 160 HB3 ASP 24 2HB ASP 24 10.504 3.309 -5.398 161 H HIS 25 H HIS 25 12.901 0.781 -3.890 162 HA HIS 25 HA HIS 25 11.958 1.060 -1.189 163 HB2 HIS 25 1HB HIS 25 14.161 0.455 -0.518 164 HB3 HIS 25 2HB HIS 25 13.795 -0.514 -1.943 165 HD1 HIS 25 1HD HIS 25 15.844 2.461 -0.866 166 HD2 HIS 25 2HD HIS 25 15.484 -0.138 -4.088 167 HE1 HIS 25 1HE HIS 25 17.820 2.945 -2.344 168 H ARG 26 H ARG 26 13.121 3.182 -3.573 169 HA ARG 26 HA ARG 26 14.303 5.118 -1.817 170 HB2 ARG 26 1HB ARG 26 13.575 5.048 -4.721 171 HB3 ARG 26 2HB ARG 26 13.958 6.586 -3.961 172 HG2 ARG 26 1HG ARG 26 16.097 5.376 -3.150 173 HG3 ARG 26 2HG ARG 26 15.720 4.222 -4.431 174 HD2 ARG 26 1HD ARG 26 17.235 5.878 -5.293 175 HD3 ARG 26 2HD ARG 26 15.654 6.103 -6.041 176 HE ARG 26 HE ARG 26 16.103 7.732 -3.708 177 HH11 ARG 26 1HH1 ARG 26 16.450 7.488 -7.163 178 HH12 ARG 26 2HH1 ARG 26 16.513 9.202 -7.409 179 HH21 ARG 26 1HH2 ARG 26 16.185 9.991 -4.018 180 HH22 ARG 26 2HH2 ARG 26 16.364 10.625 -5.619 181 H VAL 27 H VAL 27 11.118 4.336 -2.804 182 HA VAL 27 HA VAL 27 10.119 6.908 -1.768 183 HB VAL 27 HB VAL 27 8.154 6.664 -3.074 184 HG11 VAL 27 1HG1 VAL 27 10.720 6.130 -4.487 185 HG12 VAL 27 2HG1 VAL 27 9.219 6.117 -5.415 186 HG13 VAL 27 3HG1 VAL 27 9.691 7.561 -4.519 187 HG21 VAL 27 1HG2 VAL 27 7.834 4.252 -2.683 188 HG22 VAL 27 2HG2 VAL 27 7.616 4.692 -4.377 189 HG23 VAL 27 3HG2 VAL 27 9.108 3.910 -3.854 190 H HIS 28 H HIS 28 10.784 4.054 -0.593 191 HA HIS 28 HA HIS 28 8.349 3.082 0.474 192 HB2 HIS 28 1HB HIS 28 11.243 2.613 0.982 193 HB3 HIS 28 2HB HIS 28 10.114 2.129 2.243 194 HD2 HIS 28 2HD HIS 28 8.629 1.564 -1.221 195 HE1 HIS 28 1HE HIS 28 10.276 -2.142 0.026 196 HE2 HIS 28 2HE HIS 28 8.887 -0.962 -1.713 197 H ALA 29 H ALA 29 11.024 4.574 2.298 198 HA ALA 29 HA ALA 29 9.601 5.135 4.603 199 HB1 ALA 29 1HB ALA 29 11.565 5.917 5.290 200 HB2 ALA 29 2HB ALA 29 12.180 5.616 3.664 201 HB3 ALA 29 3HB ALA 29 11.542 7.205 4.085 202 H ARG 30 H ARG 30 9.904 7.040 1.651 203 HA ARG 30 HA ARG 30 8.784 9.433 2.530 204 HB2 ARG 30 1HB ARG 30 9.054 8.079 -0.107 205 HB3 ARG 30 2HB ARG 30 7.935 9.432 0.001 206 HG2 ARG 30 1HG ARG 30 9.982 10.335 -0.718 207 HG3 ARG 30 2HG ARG 30 9.840 10.764 0.988 208 HD2 ARG 30 1HD ARG 30 11.241 8.759 1.518 209 HD3 ARG 30 2HD ARG 30 11.500 8.555 -0.214 210 HE ARG 30 HE ARG 30 12.690 10.547 1.504 211 HH11 ARG 30 1HH1 ARG 30 11.926 9.618 -1.762 212 HH12 ARG 30 2HH1 ARG 30 13.149 10.618 -2.472 213 HH21 ARG 30 1HH2 ARG 30 14.304 11.869 0.582 214 HH22 ARG 30 2HH2 ARG 30 14.502 11.898 -1.137 215 H ILE 31 H ILE 31 7.213 6.524 1.257 216 HA ILE 31 HA ILE 31 4.575 7.648 1.473 217 HB ILE 31 HB ILE 31 5.447 4.794 1.009 218 HG12 ILE 31 1HG1 ILE 31 4.302 6.728 -1.001 219 HG13 ILE 31 2HG1 ILE 31 6.034 6.590 -0.720 220 HG21 ILE 31 1HG2 ILE 31 2.785 5.598 0.117 221 HG22 ILE 31 2HG2 ILE 31 3.307 4.144 0.967 222 HG23 ILE 31 3HG2 ILE 31 2.987 5.625 1.869 223 HD11 ILE 31 1HD1 ILE 31 4.189 4.421 -1.689 224 HD12 ILE 31 2HD1 ILE 31 5.417 5.273 -2.626 225 HD13 ILE 31 3HD1 ILE 31 5.898 4.200 -1.312 226 H ILE 32 H ILE 32 6.490 5.280 3.287 227 HA ILE 32 HA ILE 32 4.606 4.422 5.112 228 HB ILE 32 HB ILE 32 7.546 4.925 5.577 229 HG12 ILE 32 1HG1 ILE 32 6.168 2.291 5.079 230 HG13 ILE 32 2HG1 ILE 32 6.773 3.287 3.760 231 HG21 ILE 32 1HG2 ILE 32 6.144 4.794 7.660 232 HG22 ILE 32 2HG2 ILE 32 5.731 3.146 7.189 233 HG23 ILE 32 3HG2 ILE 32 7.409 3.572 7.525 234 HD11 ILE 32 1HD1 ILE 32 8.286 1.816 5.866 235 HD12 ILE 32 2HD1 ILE 32 8.507 1.819 4.116 236 HD13 ILE 32 3HD1 ILE 32 9.005 3.216 5.071 237 H GLY 33 H GLY 33 6.778 7.232 5.399 238 HA2 GLY 33 1HA GLY 33 6.187 9.299 6.359 239 HA3 GLY 33 2HA GLY 33 4.792 8.530 7.101 240 H ALA 34 H ALA 34 7.479 10.069 7.887 241 HA ALA 34 HA ALA 34 9.104 8.748 9.542 242 HB1 ALA 34 1HB ALA 34 8.934 10.746 11.126 243 HB2 ALA 34 2HB ALA 34 9.372 11.072 9.448 244 HB3 ALA 34 3HB ALA 34 7.726 11.374 10.004 245 H ARG 35 H ARG 35 5.936 9.956 10.667 246 HA ARG 35 HA ARG 35 6.067 8.442 13.091 247 HB2 ARG 35 1HB ARG 35 3.912 10.073 11.765 248 HB3 ARG 35 2HB ARG 35 3.601 9.154 13.232 249 HG2 ARG 35 1HG ARG 35 4.129 11.158 14.154 250 HG3 ARG 35 2HG ARG 35 5.745 10.452 14.071 251 HD2 ARG 35 1HD ARG 35 6.215 11.642 12.034 252 HD3 ARG 35 2HD ARG 35 4.557 12.236 11.952 253 HE ARG 35 HE ARG 35 5.708 13.050 14.381 254 HH11 ARG 35 1HH1 ARG 35 5.941 13.660 10.962 255 HH12 ARG 35 2HH1 ARG 35 6.481 15.294 11.158 256 HH21 ARG 35 1HH2 ARG 35 6.419 15.200 14.653 257 HH22 ARG 35 2HH2 ARG 35 6.754 16.169 13.258 258 H GLY 36 H GLY 36 4.783 7.919 9.900 259 HA2 GLY 36 1HA GLY 36 4.333 5.761 9.038 260 HA3 GLY 36 2HA GLY 36 4.084 5.184 10.680 261 H LYS 37 H LYS 37 2.561 8.148 9.932 262 HA LYS 37 HA LYS 37 -0.042 6.871 10.109 263 HB2 LYS 37 1HB LYS 37 0.333 8.849 11.459 264 HB3 LYS 37 2HB LYS 37 0.777 9.780 10.034 265 HG2 LYS 37 1HG LYS 37 -1.374 10.472 10.310 266 HG3 LYS 37 2HG LYS 37 -1.634 9.093 9.239 267 HD2 LYS 37 1HD LYS 37 -2.402 7.736 10.979 268 HD3 LYS 37 2HD LYS 37 -1.694 8.771 12.221 269 HE2 LYS 37 1HE LYS 37 -3.851 9.797 10.413 270 HE3 LYS 37 2HE LYS 37 -4.251 8.836 11.836 271 HZ1 LYS 37 1HZ LYS 37 -4.254 11.294 12.177 272 HZ2 LYS 37 2HZ LYS 37 -2.578 11.282 11.945 273 HZ3 LYS 37 3HZ LYS 37 -3.258 10.438 13.244 274 H ALA 38 H ALA 38 1.825 8.802 7.814 275 HA ALA 38 HA ALA 38 0.053 9.419 5.868 276 HB1 ALA 38 1HB ALA 38 2.144 8.455 4.364 277 HB2 ALA 38 2HB ALA 38 2.032 10.070 5.067 278 HB3 ALA 38 3HB ALA 38 2.896 8.793 5.924 279 H ILE 39 H ILE 39 1.849 6.331 5.835 280 HA ILE 39 HA ILE 39 0.434 5.112 3.791 281 HB ILE 39 HB ILE 39 2.520 4.209 4.759 282 HG12 ILE 39 1HG1 ILE 39 1.708 1.765 4.828 283 HG13 ILE 39 2HG1 ILE 39 0.100 2.426 4.552 284 HG21 ILE 39 1HG2 ILE 39 1.801 4.580 7.139 285 HG22 ILE 39 2HG2 ILE 39 0.811 3.130 6.989 286 HG23 ILE 39 3HG2 ILE 39 2.563 3.023 6.817 287 HD11 ILE 39 1HD1 ILE 39 1.723 1.642 2.587 288 HD12 ILE 39 2HD1 ILE 39 0.534 2.931 2.399 289 HD13 ILE 39 3HD1 ILE 39 2.223 3.328 2.716 290 H ARG 40 H ARG 40 -0.468 5.621 7.101 291 HA ARG 40 HA ARG 40 -2.438 3.640 7.375 292 HB2 ARG 40 1HB ARG 40 -1.397 5.314 9.111 293 HB3 ARG 40 2HB ARG 40 -2.759 6.328 8.651 294 HG2 ARG 40 1HG ARG 40 -3.653 5.228 10.434 295 HG3 ARG 40 2HG ARG 40 -4.131 4.139 9.130 296 HD2 ARG 40 1HD ARG 40 -3.255 2.682 10.701 297 HD3 ARG 40 2HD ARG 40 -1.882 2.955 9.630 298 HE ARG 40 HE ARG 40 -1.516 4.831 11.517 299 HH11 ARG 40 1HH1 ARG 40 -2.176 1.418 11.706 300 HH12 ARG 40 2HH1 ARG 40 -1.324 1.203 13.200 301 HH21 ARG 40 1HH2 ARG 40 -0.391 4.561 13.483 302 HH22 ARG 40 2HH2 ARG 40 -0.310 2.992 14.210 303 H LYS 41 H LYS 41 -2.482 6.787 5.851 304 HA LYS 41 HA LYS 41 -5.256 7.146 5.641 305 HB2 LYS 41 1HB LYS 41 -4.140 9.068 5.083 306 HB3 LYS 41 2HB LYS 41 -2.862 8.208 4.233 307 HG2 LYS 41 1HG LYS 41 -4.468 7.764 2.390 308 HG3 LYS 41 2HG LYS 41 -5.639 8.786 3.227 309 HD2 LYS 41 1HD LYS 41 -4.498 10.710 2.761 310 HD3 LYS 41 2HD LYS 41 -2.929 9.900 2.729 311 HE2 LYS 41 1HE LYS 41 -3.335 9.021 0.560 312 HE3 LYS 41 2HE LYS 41 -5.033 9.493 0.615 313 HZ1 LYS 41 1HZ LYS 41 -4.506 11.717 0.318 314 HZ2 LYS 41 2HZ LYS 41 -3.415 10.937 -0.712 315 HZ3 LYS 41 3HZ LYS 41 -2.894 11.518 0.789 316 H ILE 42 H ILE 42 -2.952 5.727 3.326 317 HA ILE 42 HA ILE 42 -4.928 5.002 1.426 318 HB ILE 42 HB ILE 42 -2.179 3.809 1.803 319 HG12 ILE 42 1HG1 ILE 42 -2.829 5.869 -0.263 320 HG13 ILE 42 2HG1 ILE 42 -2.549 6.396 1.393 321 HG21 ILE 42 1HG2 ILE 42 -4.253 3.591 -0.329 322 HG22 ILE 42 2HG2 ILE 42 -2.548 3.517 -0.768 323 HG23 ILE 42 3HG2 ILE 42 -3.218 2.344 0.366 324 HD11 ILE 42 1HD1 ILE 42 -0.474 6.587 0.374 325 HD12 ILE 42 2HD1 ILE 42 -0.374 5.052 1.238 326 HD13 ILE 42 3HD1 ILE 42 -0.657 5.068 -0.503 327 H MET 43 H MET 43 -3.373 3.276 4.089 328 HA MET 43 HA MET 43 -4.408 0.724 3.547 329 HB2 MET 43 1HB MET 43 -3.305 2.087 5.961 330 HB3 MET 43 2HB MET 43 -4.149 0.560 6.179 331 HG2 MET 43 1HG MET 43 -2.598 -0.350 4.368 332 HG3 MET 43 2HG MET 43 -1.645 1.108 4.632 333 HE1 MET 43 1HE MET 43 0.636 0.606 6.628 334 HE2 MET 43 2HE MET 43 -0.626 1.831 6.492 335 HE3 MET 43 3HE MET 43 -0.353 1.013 8.031 336 H ASP 44 H ASP 44 -5.660 3.368 5.552 337 HA ASP 44 HA ASP 44 -7.982 1.935 6.387 338 HB2 ASP 44 1HB ASP 44 -6.985 4.730 6.630 339 HB3 ASP 44 2HB ASP 44 -8.712 4.461 6.848 340 H GLU 45 H GLU 45 -7.250 4.177 3.779 341 HA GLU 45 HA GLU 45 -9.813 4.789 2.912 342 HB2 GLU 45 1HB GLU 45 -7.713 5.806 2.044 343 HB3 GLU 45 2HB GLU 45 -7.396 4.320 1.159 344 HG2 GLU 45 1HG GLU 45 -9.120 4.684 -0.335 345 HG3 GLU 45 2HG GLU 45 -9.961 5.791 0.749 346 H PHE 46 H PHE 46 -7.716 2.138 1.778 347 HA PHE 46 HA PHE 46 -10.052 0.872 0.545 348 HB2 PHE 46 1HB PHE 46 -7.133 0.116 0.306 349 HB3 PHE 46 2HB PHE 46 -8.464 -0.533 -0.646 350 HD1 PHE 46 2HD PHE 46 -9.665 0.964 -2.243 351 HD2 PHE 46 1HD PHE 46 -6.066 2.124 -0.291 352 HE1 PHE 46 2HE PHE 46 -9.333 2.737 -3.917 353 HE2 PHE 46 1HE PHE 46 -5.728 3.900 -1.960 354 HZ PHE 46 HZ PHE 46 -7.363 4.207 -3.777 355 H LYS 47 H LYS 47 -8.679 0.882 3.471 356 HA LYS 47 HA LYS 47 -8.654 -0.523 5.260 357 HB2 LYS 47 1HB LYS 47 -10.634 -2.116 3.621 358 HB3 LYS 47 2HB LYS 47 -10.381 -2.249 5.357 359 HG2 LYS 47 1HG LYS 47 -11.285 0.282 4.009 360 HG3 LYS 47 2HG LYS 47 -12.392 -0.931 4.657 361 HD2 LYS 47 1HD LYS 47 -10.226 0.149 6.404 362 HD3 LYS 47 2HD LYS 47 -11.665 1.129 6.110 363 HE2 LYS 47 1HE LYS 47 -11.968 -1.728 6.923 364 HE3 LYS 47 2HE LYS 47 -11.569 -0.518 8.142 365 HZ1 LYS 47 1HZ LYS 47 -13.613 0.604 6.731 366 HZ2 LYS 47 2HZ LYS 47 -13.743 -0.141 8.244 367 HZ3 LYS 47 3HZ LYS 47 -14.062 -1.024 6.836 368 H VAL 48 H VAL 48 -6.606 -0.896 3.383 369 HA VAL 48 HA VAL 48 -6.217 -3.817 3.431 370 HB VAL 48 HB VAL 48 -4.543 -3.499 1.658 371 HG11 VAL 48 1HG1 VAL 48 -6.083 -3.035 -0.153 372 HG12 VAL 48 2HG1 VAL 48 -6.896 -3.979 1.097 373 HG13 VAL 48 3HG1 VAL 48 -7.198 -2.246 0.962 374 HG21 VAL 48 1HG2 VAL 48 -5.397 -0.611 1.802 375 HG22 VAL 48 2HG2 VAL 48 -3.794 -1.264 2.142 376 HG23 VAL 48 3HG2 VAL 48 -4.432 -1.304 0.499 377 H ASP 49 H ASP 49 -3.949 -4.530 3.736 378 HA ASP 49 HA ASP 49 -2.538 -2.767 5.631 379 HB2 ASP 49 1HB ASP 49 -2.940 -5.753 5.661 380 HB3 ASP 49 2HB ASP 49 -1.657 -4.979 6.588 381 H ILE 50 H ILE 50 -0.945 -1.895 4.428 382 HA ILE 50 HA ILE 50 0.508 -3.481 2.490 383 HB ILE 50 HB ILE 50 0.985 -0.635 3.385 384 HG12 ILE 50 1HG1 ILE 50 -0.333 -1.558 0.833 385 HG13 ILE 50 2HG1 ILE 50 -1.255 -1.187 2.286 386 HG21 ILE 50 1HG2 ILE 50 2.966 -1.109 2.382 387 HG22 ILE 50 2HG2 ILE 50 2.286 -2.406 1.400 388 HG23 ILE 50 3HG2 ILE 50 2.029 -0.724 0.938 389 HD11 ILE 50 1HD1 ILE 50 -0.538 1.088 2.237 390 HD12 ILE 50 2HD1 ILE 50 0.590 0.754 0.922 391 HD13 ILE 50 3HD1 ILE 50 -1.148 0.661 0.638 392 H ARG 51 H ARG 51 1.918 -4.908 3.296 393 HA ARG 51 HA ARG 51 3.531 -4.193 5.628 394 HB2 ARG 51 1HB ARG 51 2.281 -6.450 5.279 395 HB3 ARG 51 2HB ARG 51 3.637 -6.847 4.232 396 HG2 ARG 51 1HG ARG 51 4.284 -7.743 6.254 397 HG3 ARG 51 2HG ARG 51 5.091 -6.173 6.261 398 HD2 ARG 51 1HD ARG 51 3.352 -5.243 7.656 399 HD3 ARG 51 2HD ARG 51 2.434 -6.745 7.566 400 HE ARG 51 HE ARG 51 4.783 -7.547 8.616 401 HH11 ARG 51 1HH1 ARG 51 2.573 -4.987 9.442 402 HH12 ARG 51 2HH1 ARG 51 2.958 -5.023 11.131 403 HH21 ARG 51 1HH2 ARG 51 5.298 -7.604 10.837 404 HH22 ARG 51 2HH2 ARG 51 4.509 -6.512 11.923 405 H PHE 52 H PHE 52 5.288 -3.044 5.124 406 HA PHE 52 HA PHE 52 6.639 -3.256 2.620 407 HB2 PHE 52 1HB PHE 52 7.222 -1.809 5.192 408 HB3 PHE 52 2HB PHE 52 8.384 -1.821 3.869 409 HD1 PHE 52 1HD PHE 52 7.861 -0.724 1.747 410 HD2 PHE 52 2HD PHE 52 5.207 -0.533 5.069 411 HE1 PHE 52 1HE PHE 52 6.678 1.156 0.689 412 HE2 PHE 52 2HE PHE 52 4.019 1.347 4.016 413 HZ PHE 52 HZ PHE 52 4.753 2.193 1.823 414 HA PRO 53 HA PRO 53 9.468 -6.521 3.412 415 HB2 PRO 53 1HB PRO 53 11.567 -5.736 1.878 416 HB3 PRO 53 2HB PRO 53 10.062 -6.365 1.197 417 HG2 PRO 53 1HG PRO 53 10.961 -3.526 1.503 418 HG3 PRO 53 2HG PRO 53 10.161 -4.304 0.124 419 HD2 PRO 53 1HD PRO 53 8.824 -2.764 1.905 420 HD3 PRO 53 2HD PRO 53 8.073 -4.149 1.088 421 H GLN 54 H GLN 54 10.433 -6.744 5.330 422 HA GLN 54 HA GLN 54 11.634 -4.771 6.848 423 HB2 GLN 54 1HB GLN 54 12.655 -6.598 8.146 424 HB3 GLN 54 2HB GLN 54 10.960 -6.906 7.794 425 HG2 GLN 54 1HG GLN 54 11.879 -8.238 5.774 426 HG3 GLN 54 2HG GLN 54 13.392 -8.229 6.679 427 HE21 GLN 54 1HE2 GLN 54 10.154 -9.429 6.516 428 HE22 GLN 54 2HE2 GLN 54 10.296 -10.593 7.785 429 H SER 55 H SER 55 14.080 -5.242 7.648 430 HA SER 55 HA SER 55 15.716 -4.238 5.578 431 HB2 SER 55 1HB SER 55 16.422 -5.384 8.288 432 HB3 SER 55 2HB SER 55 17.583 -4.597 7.220 433 HG SER 55 HG SER 55 16.883 -2.983 8.488 434 H GLY 56 H GLY 56 15.583 -7.430 7.145 435 HA2 GLY 56 1HA GLY 56 17.514 -8.500 5.251 436 HA3 GLY 56 2HA GLY 56 16.780 -9.363 6.594 437 H ALA 57 H ALA 57 14.654 -7.624 4.535 438 HA ALA 57 HA ALA 57 13.244 -9.974 3.797 439 HB1 ALA 57 1HB ALA 57 12.811 -7.466 2.276 440 HB2 ALA 57 2HB ALA 57 11.641 -8.580 2.984 441 HB3 ALA 57 3HB ALA 57 12.501 -7.434 4.012 442 HA PRO 58 HA PRO 58 15.316 -11.202 0.119 443 HB2 PRO 58 1HB PRO 58 13.258 -12.366 -1.216 444 HB3 PRO 58 2HB PRO 58 14.027 -13.103 0.194 445 HG2 PRO 58 1HG PRO 58 11.479 -11.541 0.027 446 HG3 PRO 58 2HG PRO 58 11.822 -13.030 0.928 447 HD2 PRO 58 1HD PRO 58 11.783 -10.591 2.105 448 HD3 PRO 58 2HD PRO 58 12.852 -11.898 2.652 449 H ASP 59 H ASP 59 12.369 -9.301 -0.132 450 HA ASP 59 HA ASP 59 13.435 -8.088 -2.590 451 HB2 ASP 59 1HB ASP 59 10.847 -7.816 -3.117 452 HB3 ASP 59 2HB ASP 59 11.734 -9.264 -3.585 453 HA PRO 60 HA PRO 60 12.707 -4.755 0.455 454 HB2 PRO 60 1HB PRO 60 14.701 -3.175 -0.494 455 HB3 PRO 60 2HB PRO 60 14.980 -4.489 0.656 456 HG2 PRO 60 1HG PRO 60 15.370 -4.454 -2.312 457 HG3 PRO 60 2HG PRO 60 16.419 -5.133 -1.054 458 HD2 PRO 60 1HD PRO 60 14.751 -6.662 -2.542 459 HD3 PRO 60 2HD PRO 60 15.153 -7.050 -0.857 460 H ASN 61 H ASN 61 12.179 -5.147 -2.792 461 HA ASN 61 HA ASN 61 11.160 -2.397 -3.083 462 HB2 ASN 61 1HB ASN 61 12.137 -4.280 -5.241 463 HB3 ASN 61 2HB ASN 61 11.426 -2.694 -5.529 464 HD21 ASN 61 1HD2 ASN 61 14.210 -4.438 -4.464 465 HD22 ASN 61 2HD2 ASN 61 15.287 -3.089 -4.387 466 H CYS 62 H CYS 62 10.035 -5.146 -2.153 467 HA CYS 62 HA CYS 62 7.570 -4.953 -3.750 468 HB2 CYS 62 1HB CYS 62 8.955 -7.012 -4.256 469 HB3 CYS 62 2HB CYS 62 8.647 -7.530 -2.603 470 HG CYS 62 HG CYS 62 5.713 -7.003 -3.454 471 H VAL 63 H VAL 63 5.674 -4.962 -2.639 472 HA VAL 63 HA VAL 63 5.854 -5.222 0.293 473 HB VAL 63 HB VAL 63 4.073 -3.548 0.487 474 HG11 VAL 63 1HG1 VAL 63 5.975 -2.380 0.803 475 HG12 VAL 63 2HG1 VAL 63 6.710 -2.969 -0.689 476 HG13 VAL 63 3HG1 VAL 63 5.543 -1.648 -0.742 477 HG21 VAL 63 1HG2 VAL 63 2.800 -2.988 -1.242 478 HG22 VAL 63 2HG2 VAL 63 4.205 -2.350 -2.096 479 HG23 VAL 63 3HG2 VAL 63 3.757 -4.045 -2.279 480 H THR 64 H THR 64 4.122 -6.181 1.372 481 HA THR 64 HA THR 64 2.430 -7.864 -0.334 482 HB THR 64 HB THR 64 3.115 -8.121 2.600 483 HG1 THR 64 1HG THR 64 4.738 -8.688 0.950 484 HG21 THR 64 1HG2 THR 64 1.091 -9.165 2.615 485 HG22 THR 64 2HG2 THR 64 2.059 -10.497 1.984 486 HG23 THR 64 3HG2 THR 64 1.122 -9.489 0.882 487 H VAL 65 H VAL 65 0.645 -6.686 -0.822 488 HA VAL 65 HA VAL 65 -0.724 -5.176 1.257 489 HB VAL 65 HB VAL 65 -1.414 -5.510 -1.666 490 HG11 VAL 65 1HG1 VAL 65 -2.436 -3.279 0.015 491 HG12 VAL 65 2HG1 VAL 65 -3.153 -4.048 -1.402 492 HG13 VAL 65 3HG1 VAL 65 -3.200 -4.861 0.163 493 HG21 VAL 65 1HG2 VAL 65 -0.608 -3.116 -1.768 494 HG22 VAL 65 2HG2 VAL 65 0.090 -3.375 -0.170 495 HG23 VAL 65 3HG2 VAL 65 0.641 -4.340 -1.539 496 H THR 66 H THR 66 -2.244 -6.057 2.478 497 HA THR 66 HA THR 66 -3.528 -8.539 1.600 498 HB THR 66 HB THR 66 -3.801 -7.317 4.338 499 HG1 THR 66 1HG THR 66 -1.780 -9.144 3.498 500 HG21 THR 66 1HG2 THR 66 -4.004 -9.770 4.930 501 HG22 THR 66 2HG2 THR 66 -4.090 -10.091 3.198 502 HG23 THR 66 3HG2 THR 66 -5.325 -9.100 3.973 503 H GLY 67 H GLY 67 -5.830 -8.833 1.938 504 HA2 GLY 67 1HA GLY 67 -7.917 -7.576 2.618 505 HA3 GLY 67 2HA GLY 67 -7.302 -6.298 1.580 506 H LEU 68 H LEU 68 -9.785 -7.192 1.083 507 HA LEU 68 HA LEU 68 -10.136 -9.380 -0.576 508 HB2 LEU 68 1HB LEU 68 -11.514 -6.725 -0.406 509 HB3 LEU 68 2HB LEU 68 -11.998 -7.922 -1.606 510 HG LEU 68 HG LEU 68 -13.504 -8.272 0.115 511 HD11 LEU 68 1HD1 LEU 68 -11.951 -10.288 -0.541 512 HD12 LEU 68 2HD1 LEU 68 -13.146 -10.441 0.747 513 HD13 LEU 68 3HD1 LEU 68 -11.451 -10.163 1.146 514 HD21 LEU 68 1HD2 LEU 68 -12.472 -6.769 1.735 515 HD22 LEU 68 2HD2 LEU 68 -11.235 -7.977 2.081 516 HD23 LEU 68 3HD2 LEU 68 -12.921 -8.299 2.487 517 HA PRO 69 HA PRO 69 -8.186 -8.486 -4.404 518 HB2 PRO 69 1HB PRO 69 -9.918 -9.604 -6.171 519 HB3 PRO 69 2HB PRO 69 -8.876 -10.561 -5.112 520 HG2 PRO 69 1HG PRO 69 -11.767 -9.854 -4.789 521 HG3 PRO 69 2HG PRO 69 -10.955 -11.405 -4.504 522 HD2 PRO 69 1HD PRO 69 -11.601 -9.708 -2.495 523 HD3 PRO 69 2HD PRO 69 -10.170 -10.758 -2.436 524 H GLU 70 H GLU 70 -11.256 -7.196 -3.653 525 HA GLU 70 HA GLU 70 -11.431 -5.617 -6.095 526 HB2 GLU 70 1HB GLU 70 -13.568 -4.854 -5.248 527 HB3 GLU 70 2HB GLU 70 -13.478 -6.605 -5.123 528 HG2 GLU 70 1HG GLU 70 -12.670 -6.117 -2.699 529 HG3 GLU 70 2HG GLU 70 -13.430 -4.549 -2.966 530 H ASN 71 H ASN 71 -10.642 -5.260 -2.702 531 HA ASN 71 HA ASN 71 -10.461 -2.372 -2.889 532 HB2 ASN 71 1HB ASN 71 -9.962 -4.348 -0.666 533 HB3 ASN 71 2HB ASN 71 -9.577 -2.637 -0.501 534 HD21 ASN 71 1HD2 ASN 71 -11.644 -4.589 0.654 535 HD22 ASN 71 2HD2 ASN 71 -13.125 -3.705 0.547 536 H VAL 72 H VAL 72 -8.292 -5.147 -2.641 537 HA VAL 72 HA VAL 72 -5.877 -3.797 -2.301 538 HB VAL 72 HB VAL 72 -6.461 -6.404 -3.702 539 HG11 VAL 72 1HG1 VAL 72 -4.096 -6.887 -3.623 540 HG12 VAL 72 2HG1 VAL 72 -4.359 -5.395 -4.528 541 HG13 VAL 72 3HG1 VAL 72 -3.770 -5.329 -2.867 542 HG21 VAL 72 1HG2 VAL 72 -6.193 -7.427 -1.699 543 HG22 VAL 72 2HG2 VAL 72 -5.000 -6.258 -1.135 544 HG23 VAL 72 3HG2 VAL 72 -6.716 -5.856 -1.092 545 H GLU 73 H GLU 73 -7.350 -4.948 -5.339 546 HA GLU 73 HA GLU 73 -5.503 -4.053 -7.147 547 HB2 GLU 73 1HB GLU 73 -7.220 -4.071 -8.797 548 HB3 GLU 73 2HB GLU 73 -7.614 -5.334 -7.639 549 HG2 GLU 73 1HG GLU 73 -9.153 -3.676 -6.532 550 HG3 GLU 73 2HG GLU 73 -8.890 -2.631 -7.927 551 H GLU 74 H GLU 74 -8.164 -2.177 -5.729 552 HA GLU 74 HA GLU 74 -7.639 0.211 -7.137 553 HB2 GLU 74 1HB GLU 74 -9.003 -0.236 -4.477 554 HB3 GLU 74 2HB GLU 74 -9.002 1.291 -5.348 555 HG2 GLU 74 1HG GLU 74 -10.038 0.000 -7.282 556 HG3 GLU 74 2HG GLU 74 -10.313 -1.292 -6.115 557 H ALA 75 H ALA 75 -6.477 -1.049 -4.057 558 HA ALA 75 HA ALA 75 -5.193 1.272 -3.135 559 HB1 ALA 75 1HB ALA 75 -3.748 -1.063 -2.329 560 HB2 ALA 75 2HB ALA 75 -4.813 -0.027 -1.378 561 HB3 ALA 75 3HB ALA 75 -5.480 -1.390 -2.276 562 H ILE 76 H ILE 76 -3.930 -1.479 -5.005 563 HA ILE 76 HA ILE 76 -1.283 -0.782 -5.197 564 HB ILE 76 HB ILE 76 -2.997 -1.963 -7.386 565 HG12 ILE 76 1HG1 ILE 76 -1.251 -3.304 -5.311 566 HG13 ILE 76 2HG1 ILE 76 -3.008 -3.228 -5.256 567 HG21 ILE 76 1HG2 ILE 76 -1.205 -1.955 -8.692 568 HG22 ILE 76 2HG2 ILE 76 -0.305 -1.090 -7.448 569 HG23 ILE 76 3HG2 ILE 76 -0.300 -2.853 -7.474 570 HD11 ILE 76 1HD1 ILE 76 -3.250 -4.705 -7.020 571 HD12 ILE 76 2HD1 ILE 76 -1.609 -4.431 -7.605 572 HD13 ILE 76 3HD1 ILE 76 -1.876 -5.361 -6.131 573 H ASP 77 H ASP 77 -3.798 0.111 -7.569 574 HA ASP 77 HA ASP 77 -2.394 1.695 -9.262 575 HB2 ASP 77 1HB ASP 77 -4.836 1.200 -9.417 576 HB3 ASP 77 2HB ASP 77 -5.123 2.418 -8.178 577 H HIS 78 H HIS 78 -3.696 2.679 -6.114 578 HA HIS 78 HA HIS 78 -2.850 5.375 -6.275 579 HB2 HIS 78 1HB HIS 78 -4.591 4.612 -4.710 580 HB3 HIS 78 2HB HIS 78 -3.386 3.683 -3.823 581 HD1 HIS 78 1HD HIS 78 -5.192 6.570 -3.337 582 HD2 HIS 78 2HD HIS 78 -1.114 5.789 -3.203 583 HE1 HIS 78 1HE HIS 78 -4.201 8.409 -1.937 584 H ILE 79 H ILE 79 -1.393 2.488 -4.821 585 HA ILE 79 HA ILE 79 0.810 3.672 -3.611 586 HB ILE 79 HB ILE 79 0.592 0.950 -4.896 587 HG12 ILE 79 1HG1 ILE 79 0.421 1.787 -1.994 588 HG13 ILE 79 2HG1 ILE 79 -0.968 1.434 -3.017 589 HG21 ILE 79 1HG2 ILE 79 2.771 2.210 -3.277 590 HG22 ILE 79 2HG2 ILE 79 2.513 0.467 -3.245 591 HG23 ILE 79 3HG2 ILE 79 2.889 1.274 -4.767 592 HD11 ILE 79 1HD1 ILE 79 1.129 -0.443 -1.996 593 HD12 ILE 79 2HD1 ILE 79 -0.621 -0.510 -1.780 594 HD13 ILE 79 3HD1 ILE 79 0.088 -0.859 -3.357 595 H LEU 80 H LEU 80 0.774 2.064 -6.799 596 HA LEU 80 HA LEU 80 3.318 2.803 -7.610 597 HB2 LEU 80 1HB LEU 80 0.812 2.053 -9.021 598 HB3 LEU 80 2HB LEU 80 2.128 2.735 -9.975 599 HG LEU 80 HG LEU 80 2.368 0.280 -8.238 600 HD11 LEU 80 1HD1 LEU 80 1.265 0.639 -10.886 601 HD12 LEU 80 2HD1 LEU 80 1.291 -0.793 -9.858 602 HD13 LEU 80 3HD1 LEU 80 2.665 -0.434 -10.903 603 HD21 LEU 80 1HD2 LEU 80 4.260 0.721 -10.420 604 HD22 LEU 80 2HD2 LEU 80 4.546 0.234 -8.749 605 HD23 LEU 80 3HD2 LEU 80 4.343 1.941 -9.149 606 H ASN 81 H ASN 81 0.281 4.577 -7.853 607 HA ASN 81 HA ASN 81 1.070 6.646 -9.530 608 HB2 ASN 81 1HB ASN 81 -1.217 6.573 -9.027 609 HB3 ASN 81 2HB ASN 81 -0.929 6.480 -7.292 610 HD21 ASN 81 1HD2 ASN 81 -2.199 8.202 -6.755 611 HD22 ASN 81 2HD2 ASN 81 -1.811 9.833 -7.170 612 H LEU 82 H LEU 82 1.252 6.483 -5.979 613 HA LEU 82 HA LEU 82 2.475 9.001 -5.636 614 HB2 LEU 82 1HB LEU 82 2.655 6.573 -3.859 615 HB3 LEU 82 2HB LEU 82 3.018 8.233 -3.392 616 HG LEU 82 HG LEU 82 0.292 7.235 -4.215 617 HD11 LEU 82 1HD1 LEU 82 -0.106 7.734 -1.696 618 HD12 LEU 82 2HD1 LEU 82 1.634 7.482 -1.558 619 HD13 LEU 82 3HD1 LEU 82 0.604 6.193 -2.182 620 HD21 LEU 82 1HD2 LEU 82 0.403 9.541 -4.669 621 HD22 LEU 82 2HD2 LEU 82 1.326 9.869 -3.202 622 HD23 LEU 82 3HD2 LEU 82 -0.374 9.413 -3.091 623 H GLU 83 H GLU 83 3.757 5.796 -6.256 624 HA GLU 83 HA GLU 83 6.413 6.108 -5.594 625 HB2 GLU 83 1HB GLU 83 5.382 4.005 -6.415 626 HB3 GLU 83 2HB GLU 83 5.349 4.681 -8.037 627 HG2 GLU 83 1HG GLU 83 7.931 5.001 -7.559 628 HG3 GLU 83 2HG GLU 83 7.633 3.665 -6.448 629 H GLU 84 H GLU 84 4.993 6.723 -8.811 630 HA GLU 84 HA GLU 84 7.307 7.868 -9.919 631 HB2 GLU 84 1HB GLU 84 5.103 7.028 -11.044 632 HB3 GLU 84 2HB GLU 84 4.562 8.683 -10.805 633 HG2 GLU 84 1HG GLU 84 6.619 9.427 -12.033 634 HG3 GLU 84 2HG GLU 84 6.903 7.734 -12.431 635 H GLU 85 H GLU 85 4.602 9.270 -8.155 636 HA GLU 85 HA GLU 85 5.120 11.974 -8.640 637 HB2 GLU 85 1HB GLU 85 3.048 11.380 -7.630 638 HB3 GLU 85 2HB GLU 85 3.852 10.560 -6.299 639 HG2 GLU 85 1HG GLU 85 4.536 12.594 -5.326 640 HG3 GLU 85 2HG GLU 85 4.127 13.510 -6.776 641 H TYR 86 H TYR 86 6.275 9.861 -6.028 642 HA TYR 86 HA TYR 86 7.838 11.885 -4.775 643 HB2 TYR 86 1HB TYR 86 7.679 8.895 -4.517 644 HB3 TYR 86 2HB TYR 86 8.933 9.803 -3.679 645 HD1 TYR 86 2HD TYR 86 7.807 12.069 -2.535 646 HD2 TYR 86 1HD TYR 86 5.913 8.312 -3.167 647 HE1 TYR 86 2HE TYR 86 6.235 12.561 -0.709 648 HE2 TYR 86 1HE TYR 86 4.335 8.793 -1.343 649 HH TYR 86 HH TYR 86 4.760 10.895 0.949 650 H LEU 87 H LEU 87 8.625 9.164 -6.920 651 HA LEU 87 HA LEU 87 11.353 9.323 -7.009 652 HB2 LEU 87 1HB LEU 87 9.305 8.653 -9.076 653 HB3 LEU 87 2HB LEU 87 11.008 8.720 -9.525 654 HG LEU 87 HG LEU 87 9.982 6.974 -7.299 655 HD11 LEU 87 1HD1 LEU 87 10.202 5.130 -9.006 656 HD12 LEU 87 2HD1 LEU 87 10.225 6.390 -10.238 657 HD13 LEU 87 3HD1 LEU 87 8.813 6.199 -9.200 658 HD21 LEU 87 1HD2 LEU 87 12.499 7.709 -7.792 659 HD22 LEU 87 2HD2 LEU 87 12.383 6.357 -8.918 660 HD23 LEU 87 3HD2 LEU 87 12.074 6.103 -7.199 661 H ALA 88 H ALA 88 9.041 11.312 -8.809 662 HA ALA 88 HA ALA 88 10.601 12.702 -10.529 663 HB1 ALA 88 1HB ALA 88 8.190 13.356 -8.978 664 HB2 ALA 88 2HB ALA 88 9.087 14.740 -9.603 665 HB3 ALA 88 3HB ALA 88 8.503 13.496 -10.708 666 H ASP 89 H ASP 89 10.610 12.967 -7.048 667 HA ASP 89 HA ASP 89 12.389 15.275 -7.112 668 HB2 ASP 89 1HB ASP 89 10.456 14.899 -5.426 669 HB3 ASP 89 2HB ASP 89 11.573 13.798 -4.625 670 H SER 90 H SER 90 13.686 13.354 -8.365 671 HA SER 90 HA SER 90 15.079 11.410 -7.016 672 HB2 SER 90 1HB SER 90 15.177 11.805 -9.474 673 HB3 SER 90 2HB SER 90 16.227 13.191 -9.180 674 HG SER 90 HG SER 90 17.742 11.769 -8.262 675 H GLY 91 H GLY 91 15.906 14.850 -7.309 676 HA2 GLY 91 1HA GLY 91 17.711 14.500 -5.001 677 HA3 GLY 91 2HA GLY 91 18.219 15.425 -6.407 678 HA PRO 92 HA PRO 92 16.395 18.368 -3.328 679 HB2 PRO 92 1HB PRO 92 18.381 20.204 -3.559 680 HB3 PRO 92 2HB PRO 92 18.464 18.834 -2.445 681 HG2 PRO 92 1HG PRO 92 19.695 19.149 -5.155 682 HG3 PRO 92 2HG PRO 92 20.403 18.473 -3.677 683 HD2 PRO 92 1HD PRO 92 19.431 16.918 -5.669 684 HD3 PRO 92 2HD PRO 92 19.367 16.434 -3.962 685 H SER 93 H SER 93 17.379 18.465 -6.622 686 HA SER 93 HA SER 93 16.288 21.107 -7.118 687 HB2 SER 93 1HB SER 93 18.286 20.334 -8.352 688 HB3 SER 93 2HB SER 93 17.330 19.037 -9.068 689 HG SER 93 HG SER 93 16.938 21.829 -9.398 690 H SER 94 H SER 94 14.513 21.528 -8.497 691 HA SER 94 HA SER 94 12.744 19.278 -9.105 692 HB2 SER 94 1HB SER 94 10.800 20.602 -8.185 693 HB3 SER 94 2HB SER 94 11.914 19.982 -6.967 694 HG SER 94 HG SER 94 12.916 22.096 -7.028 695 H GLY 95 H GLY 95 11.741 19.477 -11.020 696 HA2 GLY 95 1HA GLY 95 12.460 21.164 -13.001 697 HA3 GLY 95 2HA GLY 95 10.847 20.474 -12.909 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -33.581 5.720 -7.718 2 HA2 GLY 1 1HA GLY 1 -33.767 3.008 -8.719 3 HA3 GLY 1 2HA GLY 1 -32.298 3.856 -9.179 4 H SER 2 H SER 2 -33.862 2.059 -6.767 5 HA SER 2 HA SER 2 -31.852 2.805 -4.757 6 HB2 SER 2 1HB SER 2 -34.623 1.720 -4.605 7 HB3 SER 2 2HB SER 2 -33.487 1.232 -3.348 8 HG SER 2 HG SER 2 -33.073 3.705 -3.403 9 H SER 3 H SER 3 -30.082 1.617 -5.318 10 HA SER 3 HA SER 3 -30.102 -1.022 -6.269 11 HB2 SER 3 1HB SER 3 -28.030 0.761 -5.055 12 HB3 SER 3 2HB SER 3 -27.664 -0.952 -5.253 13 HG SER 3 HG SER 3 -27.056 0.335 -7.075 14 H GLY 4 H GLY 4 -31.143 -2.574 -5.156 15 HA2 GLY 4 1HA GLY 4 -31.872 -3.818 -3.334 16 HA3 GLY 4 2HA GLY 4 -30.137 -4.007 -3.125 17 H SER 5 H SER 5 -29.186 -3.172 -1.357 18 HA SER 5 HA SER 5 -30.759 -1.320 0.304 19 HB2 SER 5 1HB SER 5 -30.801 -3.713 1.147 20 HB3 SER 5 2HB SER 5 -29.068 -3.556 1.433 21 HG SER 5 HG SER 5 -29.694 -2.773 3.282 22 H SER 6 H SER 6 -29.225 -0.516 2.184 23 HA SER 6 HA SER 6 -26.725 0.355 0.891 24 HB2 SER 6 1HB SER 6 -26.894 2.351 2.416 25 HB3 SER 6 2HB SER 6 -28.182 2.240 1.218 26 HG SER 6 HG SER 6 -29.604 1.836 2.755 27 H GLY 7 H GLY 7 -24.951 0.917 2.431 28 HA2 GLY 7 1HA GLY 7 -24.083 0.615 4.712 29 HA3 GLY 7 2HA GLY 7 -24.980 -0.896 4.764 30 H ARG 8 H ARG 8 -21.996 0.508 4.198 31 HA ARG 8 HA ARG 8 -21.026 -1.616 2.457 32 HB2 ARG 8 1HB ARG 8 -19.976 1.001 3.407 33 HB3 ARG 8 2HB ARG 8 -18.802 -0.242 2.996 34 HG2 ARG 8 1HG ARG 8 -20.994 0.416 1.081 35 HG3 ARG 8 2HG ARG 8 -19.577 1.462 1.199 36 HD2 ARG 8 1HD ARG 8 -19.490 -1.509 0.691 37 HD3 ARG 8 2HD ARG 8 -19.381 -0.272 -0.561 38 HE ARG 8 HE ARG 8 -17.409 0.310 1.285 39 HH11 ARG 8 1HH1 ARG 8 -18.222 -2.319 -0.847 40 HH12 ARG 8 2HH1 ARG 8 -16.578 -2.819 -1.069 41 HH21 ARG 8 1HH2 ARG 8 -15.241 -0.339 1.001 42 HH22 ARG 8 2HH2 ARG 8 -14.883 -1.693 -0.016 43 H ILE 9 H ILE 9 -18.798 -2.530 3.102 44 HA ILE 9 HA ILE 9 -18.480 -2.941 5.963 45 HB ILE 9 HB ILE 9 -18.289 -5.490 5.444 46 HG12 ILE 9 1HG1 ILE 9 -20.124 -6.123 3.776 47 HG13 ILE 9 2HG1 ILE 9 -20.019 -4.465 3.195 48 HG21 ILE 9 1HG2 ILE 9 -20.072 -5.583 6.767 49 HG22 ILE 9 2HG2 ILE 9 -20.269 -3.848 6.525 50 HG23 ILE 9 3HG2 ILE 9 -21.123 -4.986 5.483 51 HD11 ILE 9 1HD1 ILE 9 -17.959 -4.782 2.258 52 HD12 ILE 9 2HD1 ILE 9 -17.533 -6.087 3.366 53 HD13 ILE 9 3HD1 ILE 9 -18.668 -6.383 2.049 54 H VAL 10 H VAL 10 -16.625 -4.755 6.183 55 HA VAL 10 HA VAL 10 -14.437 -3.781 4.481 56 HB VAL 10 HB VAL 10 -14.320 -5.123 7.186 57 HG11 VAL 10 1HG1 VAL 10 -12.075 -3.876 5.607 58 HG12 VAL 10 2HG1 VAL 10 -11.957 -4.718 7.154 59 HG13 VAL 10 3HG1 VAL 10 -12.385 -5.610 5.694 60 HG21 VAL 10 1HG2 VAL 10 -14.531 -3.103 8.084 61 HG22 VAL 10 2HG2 VAL 10 -13.204 -2.490 7.099 62 HG23 VAL 10 3HG2 VAL 10 -14.854 -2.449 6.479 63 H GLY 11 H GLY 11 -16.170 -6.633 5.463 64 HA2 GLY 11 1HA GLY 11 -16.219 -8.531 3.976 65 HA3 GLY 11 2HA GLY 11 -14.544 -8.194 3.564 66 H GLU 12 H GLU 12 -14.539 -10.607 4.046 67 HA GLU 12 HA GLU 12 -14.257 -11.109 6.928 68 HB2 GLU 12 1HB GLU 12 -14.902 -12.844 4.581 69 HB3 GLU 12 2HB GLU 12 -14.120 -13.568 5.979 70 HG2 GLU 12 1HG GLU 12 -16.649 -11.959 6.170 71 HG3 GLU 12 2HG GLU 12 -16.629 -13.704 5.919 72 H LEU 13 H LEU 13 -12.414 -12.167 7.740 73 HA LEU 13 HA LEU 13 -9.963 -11.312 6.759 74 HB2 LEU 13 1HB LEU 13 -10.720 -13.531 8.632 75 HB3 LEU 13 2HB LEU 13 -9.037 -13.191 8.235 76 HG LEU 13 HG LEU 13 -10.853 -11.088 9.382 77 HD11 LEU 13 1HD1 LEU 13 -10.095 -13.455 10.686 78 HD12 LEU 13 2HD1 LEU 13 -10.800 -12.004 11.398 79 HD13 LEU 13 3HD1 LEU 13 -9.048 -12.184 11.316 80 HD21 LEU 13 1HD2 LEU 13 -8.646 -10.534 8.258 81 HD22 LEU 13 2HD2 LEU 13 -7.868 -11.377 9.597 82 HD23 LEU 13 3HD2 LEU 13 -8.858 -9.951 9.909 83 H GLU 14 H GLU 14 -11.176 -14.671 6.714 84 HA GLU 14 HA GLU 14 -9.209 -15.789 5.144 85 HB2 GLU 14 1HB GLU 14 -12.082 -16.429 5.620 86 HB3 GLU 14 2HB GLU 14 -11.248 -17.278 4.326 87 HG2 GLU 14 1HG GLU 14 -9.772 -18.316 5.785 88 HG3 GLU 14 2HG GLU 14 -10.075 -17.152 7.073 89 H GLN 15 H GLN 15 -12.146 -14.111 4.107 90 HA GLN 15 HA GLN 15 -12.002 -14.592 1.377 91 HB2 GLN 15 1HB GLN 15 -13.107 -12.323 3.000 92 HB3 GLN 15 2HB GLN 15 -13.130 -12.250 1.243 93 HG2 GLN 15 1HG GLN 15 -14.211 -14.673 2.584 94 HG3 GLN 15 2HG GLN 15 -15.166 -13.191 2.599 95 HE21 GLN 15 1HE2 GLN 15 -15.752 -12.253 0.568 96 HE22 GLN 15 2HE2 GLN 15 -15.908 -13.250 -0.835 97 H MET 16 H MET 16 -10.377 -12.138 3.326 98 HA MET 16 HA MET 16 -9.331 -10.493 1.398 99 HB2 MET 16 1HB MET 16 -7.855 -11.486 3.843 100 HB3 MET 16 2HB MET 16 -7.508 -10.014 2.947 101 HG2 MET 16 1HG MET 16 -9.945 -9.374 3.516 102 HG3 MET 16 2HG MET 16 -9.810 -10.628 4.747 103 HE1 MET 16 1HE MET 16 -10.381 -7.413 5.399 104 HE2 MET 16 2HE MET 16 -10.458 -8.812 6.470 105 HE3 MET 16 3HE MET 16 -9.467 -7.420 6.907 106 H VAL 17 H VAL 17 -7.235 -10.398 0.375 107 HA VAL 17 HA VAL 17 -5.893 -12.979 0.013 108 HB VAL 17 HB VAL 17 -5.852 -12.802 -2.377 109 HG11 VAL 17 1HG1 VAL 17 -8.142 -13.203 -2.905 110 HG12 VAL 17 2HG1 VAL 17 -7.867 -13.793 -1.265 111 HG13 VAL 17 3HG1 VAL 17 -8.688 -12.253 -1.524 112 HG21 VAL 17 1HG2 VAL 17 -7.366 -10.922 -3.385 113 HG22 VAL 17 2HG2 VAL 17 -7.004 -10.096 -1.869 114 HG23 VAL 17 3HG2 VAL 17 -5.693 -10.577 -2.946 115 H SER 18 H SER 18 -3.716 -12.852 -0.286 116 HA SER 18 HA SER 18 -2.502 -10.253 0.162 117 HB2 SER 18 1HB SER 18 -0.608 -11.390 0.869 118 HB3 SER 18 2HB SER 18 -1.869 -12.557 1.264 119 HG SER 18 HG SER 18 0.015 -12.600 -0.814 120 H GLU 19 H GLU 19 -1.317 -9.117 -1.276 121 HA GLU 19 HA GLU 19 -0.720 -10.347 -3.875 122 HB2 GLU 19 1HB GLU 19 -2.344 -7.913 -3.322 123 HB3 GLU 19 2HB GLU 19 -1.274 -7.879 -4.717 124 HG2 GLU 19 1HG GLU 19 -2.437 -9.523 -5.825 125 HG3 GLU 19 2HG GLU 19 -3.114 -10.192 -4.341 126 H ASP 20 H ASP 20 1.161 -9.684 -4.844 127 HA ASP 20 HA ASP 20 2.968 -8.135 -3.144 128 HB2 ASP 20 1HB ASP 20 3.637 -9.725 -5.627 129 HB3 ASP 20 2HB ASP 20 4.768 -9.090 -4.436 130 H VAL 21 H VAL 21 3.325 -6.066 -3.557 131 HA VAL 21 HA VAL 21 2.872 -5.076 -6.296 132 HB VAL 21 HB VAL 21 2.863 -3.297 -3.880 133 HG11 VAL 21 1HG1 VAL 21 2.265 -1.714 -5.327 134 HG12 VAL 21 2HG1 VAL 21 2.651 -2.858 -6.613 135 HG13 VAL 21 3HG1 VAL 21 0.996 -2.727 -6.015 136 HG21 VAL 21 1HG2 VAL 21 0.553 -4.923 -4.929 137 HG22 VAL 21 2HG2 VAL 21 1.261 -4.990 -3.315 138 HG23 VAL 21 3HG2 VAL 21 0.384 -3.551 -3.834 139 HA PRO 22 HA PRO 22 7.274 -4.357 -6.251 140 HB2 PRO 22 1HB PRO 22 7.396 -3.291 -8.745 141 HB3 PRO 22 2HB PRO 22 7.251 -5.027 -8.448 142 HG2 PRO 22 1HG PRO 22 5.127 -3.045 -9.168 143 HG3 PRO 22 2HG PRO 22 5.381 -4.687 -9.787 144 HD2 PRO 22 1HD PRO 22 3.529 -4.112 -7.897 145 HD3 PRO 22 2HD PRO 22 4.384 -5.667 -7.954 146 H LEU 23 H LEU 23 7.614 -2.722 -4.793 147 HA LEU 23 HA LEU 23 7.167 0.021 -5.773 148 HB2 LEU 23 1HB LEU 23 5.793 -0.787 -3.772 149 HB3 LEU 23 2HB LEU 23 7.307 -0.737 -2.871 150 HG LEU 23 HG LEU 23 7.456 1.708 -3.513 151 HD11 LEU 23 1HD1 LEU 23 6.025 2.365 -5.093 152 HD12 LEU 23 2HD1 LEU 23 4.812 2.379 -3.813 153 HD13 LEU 23 3HD1 LEU 23 4.979 0.965 -4.854 154 HD21 LEU 23 1HD2 LEU 23 6.916 1.547 -1.322 155 HD22 LEU 23 2HD2 LEU 23 5.567 0.450 -1.619 156 HD23 LEU 23 3HD2 LEU 23 5.374 2.182 -1.898 157 H ASP 24 H ASP 24 8.890 1.326 -5.875 158 HA ASP 24 HA ASP 24 11.499 0.275 -5.453 159 HB2 ASP 24 1HB ASP 24 10.742 2.053 -7.157 160 HB3 ASP 24 2HB ASP 24 10.881 3.197 -5.825 161 H HIS 25 H HIS 25 13.002 0.714 -3.883 162 HA HIS 25 HA HIS 25 12.021 1.351 -1.294 163 HB2 HIS 25 1HB HIS 25 14.131 0.775 -0.505 164 HB3 HIS 25 2HB HIS 25 14.031 -0.154 -1.998 165 HD1 HIS 25 1HD HIS 25 15.626 2.966 -0.595 166 HD2 HIS 25 2HD HIS 25 15.949 0.437 -3.876 167 HE1 HIS 25 1HE HIS 25 17.718 3.682 -1.792 168 H ARG 26 H ARG 26 13.035 3.275 -3.873 169 HA ARG 26 HA ARG 26 14.171 5.434 -2.375 170 HB2 ARG 26 1HB ARG 26 13.079 5.343 -5.193 171 HB3 ARG 26 2HB ARG 26 13.966 6.695 -4.502 172 HG2 ARG 26 1HG ARG 26 15.215 3.992 -4.485 173 HG3 ARG 26 2HG ARG 26 15.171 4.914 -5.989 174 HD2 ARG 26 1HD ARG 26 16.387 6.713 -5.013 175 HD3 ARG 26 2HD ARG 26 16.224 6.026 -3.398 176 HE ARG 26 HE ARG 26 17.981 4.614 -3.848 177 HH11 ARG 26 1HH1 ARG 26 16.915 6.134 -6.793 178 HH12 ARG 26 2HH1 ARG 26 18.264 5.574 -7.724 179 HH21 ARG 26 1HH2 ARG 26 19.762 3.870 -5.064 180 HH22 ARG 26 2HH2 ARG 26 19.882 4.285 -6.740 181 H VAL 27 H VAL 27 11.008 4.346 -2.938 182 HA VAL 27 HA VAL 27 9.911 6.962 -2.130 183 HB VAL 27 HB VAL 27 7.819 6.364 -3.209 184 HG11 VAL 27 1HG1 VAL 27 10.281 6.833 -4.552 185 HG12 VAL 27 2HG1 VAL 27 9.294 5.768 -5.555 186 HG13 VAL 27 3HG1 VAL 27 8.655 7.325 -5.026 187 HG21 VAL 27 1HG2 VAL 27 8.574 3.782 -2.901 188 HG22 VAL 27 2HG2 VAL 27 7.279 4.315 -3.972 189 HG23 VAL 27 3HG2 VAL 27 8.892 4.018 -4.620 190 H HIS 28 H HIS 28 10.391 3.732 -1.249 191 HA HIS 28 HA HIS 28 8.239 2.900 0.170 192 HB2 HIS 28 1HB HIS 28 11.174 2.671 0.647 193 HB3 HIS 28 2HB HIS 28 10.086 2.147 1.928 194 HD2 HIS 28 2HD HIS 28 8.934 1.404 -1.691 195 HE1 HIS 28 1HE HIS 28 10.362 -2.216 -0.002 196 HE2 HIS 28 2HE HIS 28 9.240 -1.148 -1.988 197 H ALA 29 H ALA 29 10.858 4.675 1.815 198 HA ALA 29 HA ALA 29 9.437 5.288 4.118 199 HB1 ALA 29 1HB ALA 29 11.319 7.378 3.358 200 HB2 ALA 29 2HB ALA 29 11.330 6.292 4.748 201 HB3 ALA 29 3HB ALA 29 11.985 5.752 3.202 202 H ARG 30 H ARG 30 9.739 7.136 1.110 203 HA ARG 30 HA ARG 30 8.481 9.482 1.860 204 HB2 ARG 30 1HB ARG 30 8.594 8.006 -0.758 205 HB3 ARG 30 2HB ARG 30 7.719 9.524 -0.607 206 HG2 ARG 30 1HG ARG 30 10.531 9.416 0.349 207 HG3 ARG 30 2HG ARG 30 10.227 9.451 -1.389 208 HD2 ARG 30 1HD ARG 30 9.077 11.518 -1.236 209 HD3 ARG 30 2HD ARG 30 9.001 11.422 0.523 210 HE ARG 30 HE ARG 30 11.205 12.354 -1.071 211 HH11 ARG 30 1HH1 ARG 30 10.252 11.007 1.995 212 HH12 ARG 30 2HH1 ARG 30 11.630 11.627 2.843 213 HH21 ARG 30 1HH2 ARG 30 13.023 13.176 0.035 214 HH22 ARG 30 2HH2 ARG 30 13.205 12.862 1.727 215 H ILE 31 H ILE 31 7.101 6.358 1.125 216 HA ILE 31 HA ILE 31 4.386 7.408 1.159 217 HB ILE 31 HB ILE 31 5.412 4.590 0.813 218 HG12 ILE 31 1HG1 ILE 31 4.047 6.348 -1.223 219 HG13 ILE 31 2HG1 ILE 31 5.796 6.322 -1.026 220 HG21 ILE 31 1HG2 ILE 31 2.760 4.827 -0.101 221 HG22 ILE 31 2HG2 ILE 31 3.359 3.878 1.258 222 HG23 ILE 31 3HG2 ILE 31 2.806 5.533 1.514 223 HD11 ILE 31 1HD1 ILE 31 5.965 4.128 -1.780 224 HD12 ILE 31 2HD1 ILE 31 4.249 3.810 -1.523 225 HD13 ILE 31 3HD1 ILE 31 4.764 4.860 -2.843 226 H ILE 32 H ILE 32 6.522 5.414 3.130 227 HA ILE 32 HA ILE 32 4.641 4.566 5.031 228 HB ILE 32 HB ILE 32 7.600 5.064 5.374 229 HG12 ILE 32 1HG1 ILE 32 6.245 2.398 5.064 230 HG13 ILE 32 2HG1 ILE 32 6.700 3.346 3.653 231 HG21 ILE 32 1HG2 ILE 32 7.412 4.529 7.519 232 HG22 ILE 32 2HG2 ILE 32 5.659 4.580 7.341 233 HG23 ILE 32 3HG2 ILE 32 6.523 3.060 7.116 234 HD11 ILE 32 1HD1 ILE 32 8.474 2.128 5.735 235 HD12 ILE 32 2HD1 ILE 32 8.469 1.863 3.992 236 HD13 ILE 32 3HD1 ILE 32 9.039 3.397 4.648 237 H GLY 33 H GLY 33 6.597 7.497 4.816 238 HA2 GLY 33 1HA GLY 33 6.016 9.582 5.718 239 HA3 GLY 33 2HA GLY 33 4.811 8.788 6.720 240 H ALA 34 H ALA 34 5.520 9.965 8.542 241 HA ALA 34 HA ALA 34 8.241 9.508 9.481 242 HB1 ALA 34 1HB ALA 34 6.587 11.671 9.663 243 HB2 ALA 34 2HB ALA 34 6.419 10.945 11.262 244 HB3 ALA 34 3HB ALA 34 8.014 11.396 10.663 245 H ARG 35 H ARG 35 5.147 9.487 11.241 246 HA ARG 35 HA ARG 35 6.131 7.282 12.873 247 HB2 ARG 35 1HB ARG 35 4.992 9.387 13.795 248 HB3 ARG 35 2HB ARG 35 3.491 8.694 13.194 249 HG2 ARG 35 1HG ARG 35 3.655 6.840 14.657 250 HG3 ARG 35 2HG ARG 35 5.318 7.245 15.089 251 HD2 ARG 35 1HD ARG 35 4.239 9.495 15.883 252 HD3 ARG 35 2HD ARG 35 2.763 8.532 15.937 253 HE ARG 35 HE ARG 35 4.509 7.013 17.315 254 HH11 ARG 35 1HH1 ARG 35 3.623 10.373 17.525 255 HH12 ARG 35 2HH1 ARG 35 3.925 10.481 19.227 256 HH21 ARG 35 1HH2 ARG 35 4.910 7.143 19.556 257 HH22 ARG 35 2HH2 ARG 35 4.658 8.643 20.382 258 H GLY 36 H GLY 36 5.007 7.189 9.984 259 HA2 GLY 36 1HA GLY 36 4.079 5.408 8.817 260 HA3 GLY 36 2HA GLY 36 3.643 4.669 10.351 261 H LYS 37 H LYS 37 2.772 7.934 9.387 262 HA LYS 37 HA LYS 37 -0.042 7.219 9.677 263 HB2 LYS 37 1HB LYS 37 0.628 9.163 10.907 264 HB3 LYS 37 2HB LYS 37 1.388 9.871 9.488 265 HG2 LYS 37 1HG LYS 37 -1.062 9.692 8.521 266 HG3 LYS 37 2HG LYS 37 -1.480 9.727 10.236 267 HD2 LYS 37 1HD LYS 37 0.382 11.744 9.015 268 HD3 LYS 37 2HD LYS 37 -1.369 11.964 8.997 269 HE2 LYS 37 1HE LYS 37 -0.709 13.099 10.915 270 HE3 LYS 37 2HE LYS 37 -1.228 11.532 11.533 271 HZ1 LYS 37 1HZ LYS 37 1.151 12.708 12.051 272 HZ2 LYS 37 2HZ LYS 37 1.556 11.621 10.821 273 HZ3 LYS 37 3HZ LYS 37 0.820 11.059 12.236 274 H ALA 38 H ALA 38 2.063 8.882 7.338 275 HA ALA 38 HA ALA 38 0.282 9.438 5.338 276 HB1 ALA 38 1HB ALA 38 3.074 9.328 5.583 277 HB2 ALA 38 2HB ALA 38 2.669 8.386 4.147 278 HB3 ALA 38 3HB ALA 38 2.132 10.061 4.284 279 H ILE 39 H ILE 39 1.524 6.324 6.284 280 HA ILE 39 HA ILE 39 0.380 5.025 3.935 281 HB ILE 39 HB ILE 39 2.613 4.325 4.811 282 HG12 ILE 39 1HG1 ILE 39 2.151 1.890 4.656 283 HG13 ILE 39 2HG1 ILE 39 0.431 2.229 4.814 284 HG21 ILE 39 1HG2 ILE 39 2.847 3.143 6.837 285 HG22 ILE 39 2HG2 ILE 39 1.894 4.574 7.228 286 HG23 ILE 39 3HG2 ILE 39 1.101 3.008 7.050 287 HD11 ILE 39 1HD1 ILE 39 0.235 2.768 2.664 288 HD12 ILE 39 2HD1 ILE 39 1.712 3.732 2.675 289 HD13 ILE 39 3HD1 ILE 39 1.802 1.984 2.467 290 H ARG 40 H ARG 40 -0.377 5.692 7.219 291 HA ARG 40 HA ARG 40 -2.139 3.546 7.742 292 HB2 ARG 40 1HB ARG 40 -1.206 5.009 9.500 293 HB3 ARG 40 2HB ARG 40 -2.172 6.344 8.886 294 HG2 ARG 40 1HG ARG 40 -3.181 5.336 10.860 295 HG3 ARG 40 2HG ARG 40 -4.213 5.148 9.441 296 HD2 ARG 40 1HD ARG 40 -3.706 2.872 9.235 297 HD3 ARG 40 2HD ARG 40 -2.285 3.005 10.270 298 HE ARG 40 HE ARG 40 -4.755 3.616 11.608 299 HH11 ARG 40 1HH1 ARG 40 -2.553 1.088 10.667 300 HH12 ARG 40 2HH1 ARG 40 -3.059 0.002 11.919 301 HH21 ARG 40 1HH2 ARG 40 -5.430 2.195 13.260 302 HH22 ARG 40 2HH2 ARG 40 -4.697 0.633 13.392 303 H LYS 41 H LYS 41 -2.714 6.849 6.562 304 HA LYS 41 HA LYS 41 -5.495 6.696 6.355 305 HB2 LYS 41 1HB LYS 41 -5.372 8.635 4.976 306 HB3 LYS 41 2HB LYS 41 -4.072 8.767 6.153 307 HG2 LYS 41 1HG LYS 41 -2.458 8.049 4.498 308 HG3 LYS 41 2HG LYS 41 -3.746 7.813 3.315 309 HD2 LYS 41 1HD LYS 41 -3.505 10.480 4.607 310 HD3 LYS 41 2HD LYS 41 -2.304 10.036 3.392 311 HE2 LYS 41 1HE LYS 41 -5.271 9.828 2.928 312 HE3 LYS 41 2HE LYS 41 -4.338 11.274 2.545 313 HZ1 LYS 41 1HZ LYS 41 -3.385 10.298 0.772 314 HZ2 LYS 41 2HZ LYS 41 -4.752 9.304 0.818 315 HZ3 LYS 41 3HZ LYS 41 -3.297 8.772 1.497 316 H ILE 42 H ILE 42 -2.959 5.697 4.128 317 HA ILE 42 HA ILE 42 -4.610 5.180 1.899 318 HB ILE 42 HB ILE 42 -1.936 4.029 2.686 319 HG12 ILE 42 1HG1 ILE 42 -2.692 6.050 0.566 320 HG13 ILE 42 2HG1 ILE 42 -2.046 6.459 2.151 321 HG21 ILE 42 1HG2 ILE 42 -3.139 2.446 1.256 322 HG22 ILE 42 2HG2 ILE 42 -3.398 3.722 0.067 323 HG23 ILE 42 3HG2 ILE 42 -1.763 3.162 0.417 324 HD11 ILE 42 1HD1 ILE 42 -0.017 6.329 1.292 325 HD12 ILE 42 2HD1 ILE 42 -0.268 4.601 1.044 326 HD13 ILE 42 3HD1 ILE 42 -0.660 5.743 -0.241 327 H MET 43 H MET 43 -3.469 3.101 4.538 328 HA MET 43 HA MET 43 -4.578 0.699 3.605 329 HB2 MET 43 1HB MET 43 -3.790 1.692 6.327 330 HB3 MET 43 2HB MET 43 -4.554 0.120 6.133 331 HG2 MET 43 1HG MET 43 -2.739 -0.462 4.513 332 HG3 MET 43 2HG MET 43 -1.942 1.042 4.969 333 HE1 MET 43 1HE MET 43 0.441 -0.028 6.350 334 HE2 MET 43 2HE MET 43 -0.545 1.415 6.591 335 HE3 MET 43 3HE MET 43 -0.086 0.418 7.973 336 H ASP 44 H ASP 44 -5.847 2.961 6.054 337 HA ASP 44 HA ASP 44 -8.307 1.676 6.425 338 HB2 ASP 44 1HB ASP 44 -7.300 4.450 6.927 339 HB3 ASP 44 2HB ASP 44 -9.019 4.113 7.106 340 H GLU 45 H GLU 45 -7.268 4.077 4.077 341 HA GLU 45 HA GLU 45 -9.678 4.936 3.057 342 HB2 GLU 45 1HB GLU 45 -7.477 5.801 2.352 343 HB3 GLU 45 2HB GLU 45 -7.177 4.304 1.480 344 HG2 GLU 45 1HG GLU 45 -7.866 5.770 -0.173 345 HG3 GLU 45 2HG GLU 45 -9.325 4.852 0.195 346 H PHE 46 H PHE 46 -7.796 2.114 1.964 347 HA PHE 46 HA PHE 46 -10.186 1.135 0.568 348 HB2 PHE 46 1HB PHE 46 -7.332 0.161 0.331 349 HB3 PHE 46 2HB PHE 46 -8.690 -0.315 -0.683 350 HD1 PHE 46 1HD PHE 46 -6.283 2.328 0.078 351 HD2 PHE 46 2HD PHE 46 -9.538 1.152 -2.400 352 HE1 PHE 46 1HE PHE 46 -5.765 4.169 -1.470 353 HE2 PHE 46 2HE PHE 46 -9.025 2.991 -3.952 354 HZ PHE 46 HZ PHE 46 -7.136 4.501 -3.489 355 H LYS 47 H LYS 47 -9.205 0.942 3.535 356 HA LYS 47 HA LYS 47 -9.252 -0.575 5.238 357 HB2 LYS 47 1HB LYS 47 -11.197 -2.066 3.475 358 HB3 LYS 47 2HB LYS 47 -11.117 -2.082 5.232 359 HG2 LYS 47 1HG LYS 47 -11.732 0.393 3.641 360 HG3 LYS 47 2HG LYS 47 -12.972 -0.718 4.229 361 HD2 LYS 47 1HD LYS 47 -11.892 -0.380 6.536 362 HD3 LYS 47 2HD LYS 47 -11.093 1.015 5.806 363 HE2 LYS 47 1HE LYS 47 -14.050 0.685 5.535 364 HE3 LYS 47 2HE LYS 47 -13.375 1.302 7.042 365 HZ1 LYS 47 1HZ LYS 47 -12.096 2.841 5.335 366 HZ2 LYS 47 2HZ LYS 47 -13.623 3.245 5.938 367 HZ3 LYS 47 3HZ LYS 47 -13.478 2.545 4.405 368 H VAL 48 H VAL 48 -7.045 -0.990 3.766 369 HA VAL 48 HA VAL 48 -6.861 -3.928 3.611 370 HB VAL 48 HB VAL 48 -5.060 -3.630 1.927 371 HG11 VAL 48 1HG1 VAL 48 -6.847 -4.189 0.696 372 HG12 VAL 48 2HG1 VAL 48 -7.898 -3.042 1.528 373 HG13 VAL 48 3HG1 VAL 48 -6.856 -2.492 0.216 374 HG21 VAL 48 1HG2 VAL 48 -4.874 -1.096 2.733 375 HG22 VAL 48 2HG2 VAL 48 -4.378 -1.617 1.122 376 HG23 VAL 48 3HG2 VAL 48 -5.955 -0.864 1.359 377 H ASP 49 H ASP 49 -4.387 -4.546 3.657 378 HA ASP 49 HA ASP 49 -3.044 -2.962 5.740 379 HB2 ASP 49 1HB ASP 49 -4.219 -4.993 6.678 380 HB3 ASP 49 2HB ASP 49 -3.118 -5.982 5.722 381 H ILE 50 H ILE 50 -1.418 -2.134 4.538 382 HA ILE 50 HA ILE 50 0.005 -3.750 2.611 383 HB ILE 50 HB ILE 50 0.688 -0.971 3.571 384 HG12 ILE 50 1HG1 ILE 50 -0.755 -1.535 1.008 385 HG13 ILE 50 2HG1 ILE 50 -1.669 -1.458 2.511 386 HG21 ILE 50 1HG2 ILE 50 2.156 -2.708 2.030 387 HG22 ILE 50 2HG2 ILE 50 1.330 -1.716 0.830 388 HG23 ILE 50 3HG2 ILE 50 2.335 -0.954 2.062 389 HD11 ILE 50 1HD1 ILE 50 0.098 0.729 1.441 390 HD12 ILE 50 2HD1 ILE 50 -1.660 0.671 1.311 391 HD13 ILE 50 3HD1 ILE 50 -0.897 0.801 2.895 392 H ARG 51 H ARG 51 2.004 -4.627 2.816 393 HA ARG 51 HA ARG 51 3.364 -4.286 5.408 394 HB2 ARG 51 1HB ARG 51 2.151 -6.558 4.805 395 HB3 ARG 51 2HB ARG 51 3.621 -6.839 3.882 396 HG2 ARG 51 1HG ARG 51 3.606 -6.129 6.804 397 HG3 ARG 51 2HG ARG 51 3.613 -7.786 6.196 398 HD2 ARG 51 1HD ARG 51 5.678 -5.764 5.371 399 HD3 ARG 51 2HD ARG 51 5.862 -6.758 6.816 400 HE ARG 51 HE ARG 51 6.277 -7.574 4.128 401 HH11 ARG 51 1HH1 ARG 51 5.124 -8.691 7.217 402 HH12 ARG 51 2HH1 ARG 51 5.508 -10.351 6.907 403 HH21 ARG 51 1HH2 ARG 51 6.787 -9.758 3.707 404 HH22 ARG 51 2HH2 ARG 51 6.455 -10.957 4.910 405 H PHE 52 H PHE 52 5.313 -3.424 5.209 406 HA PHE 52 HA PHE 52 6.624 -3.399 2.610 407 HB2 PHE 52 1HB PHE 52 7.064 -1.919 5.191 408 HB3 PHE 52 2HB PHE 52 8.278 -1.899 3.916 409 HD1 PHE 52 1HD PHE 52 7.725 -0.922 1.706 410 HD2 PHE 52 2HD PHE 52 5.091 -0.627 5.036 411 HE1 PHE 52 1HE PHE 52 6.522 0.909 0.587 412 HE2 PHE 52 2HE PHE 52 3.882 1.204 3.922 413 HZ PHE 52 HZ PHE 52 4.596 1.974 1.695 414 HA PRO 53 HA PRO 53 9.539 -6.561 3.503 415 HB2 PRO 53 1HB PRO 53 11.639 -5.723 2.002 416 HB3 PRO 53 2HB PRO 53 10.171 -6.413 1.299 417 HG2 PRO 53 1HG PRO 53 10.965 -3.541 1.585 418 HG3 PRO 53 2HG PRO 53 10.221 -4.364 0.201 419 HD2 PRO 53 1HD PRO 53 8.795 -2.849 1.934 420 HD3 PRO 53 2HD PRO 53 8.109 -4.270 1.120 421 H GLN 54 H GLN 54 10.713 -6.872 5.280 422 HA GLN 54 HA GLN 54 11.848 -4.705 6.744 423 HB2 GLN 54 1HB GLN 54 12.603 -6.423 8.312 424 HB3 GLN 54 2HB GLN 54 10.919 -6.673 7.868 425 HG2 GLN 54 1HG GLN 54 11.665 -8.382 6.230 426 HG3 GLN 54 2HG GLN 54 13.305 -8.193 6.848 427 HE21 GLN 54 1HE2 GLN 54 13.903 -9.396 8.517 428 HE22 GLN 54 2HE2 GLN 54 12.844 -10.324 9.518 429 H SER 55 H SER 55 14.155 -4.850 7.569 430 HA SER 55 HA SER 55 15.953 -4.390 5.538 431 HB2 SER 55 1HB SER 55 16.510 -5.351 8.353 432 HB3 SER 55 2HB SER 55 17.735 -4.709 7.260 433 HG SER 55 HG SER 55 16.725 -2.735 7.302 434 H GLY 56 H GLY 56 15.603 -7.388 7.435 435 HA2 GLY 56 1HA GLY 56 17.509 -8.799 5.806 436 HA3 GLY 56 2HA GLY 56 16.507 -9.487 7.074 437 H ALA 57 H ALA 57 14.569 -7.758 4.994 438 HA ALA 57 HA ALA 57 13.247 -10.056 4.021 439 HB1 ALA 57 1HB ALA 57 11.824 -8.558 2.829 440 HB2 ALA 57 2HB ALA 57 12.206 -7.811 4.381 441 HB3 ALA 57 3HB ALA 57 13.020 -7.264 2.915 442 HA PRO 58 HA PRO 58 15.555 -11.087 0.422 443 HB2 PRO 58 1HB PRO 58 13.600 -12.248 -1.060 444 HB3 PRO 58 2HB PRO 58 14.318 -13.022 0.357 445 HG2 PRO 58 1HG PRO 58 11.739 -11.520 0.122 446 HG3 PRO 58 2HG PRO 58 12.078 -13.035 0.980 447 HD2 PRO 58 1HD PRO 58 11.912 -10.648 2.248 448 HD3 PRO 58 2HD PRO 58 12.989 -11.948 2.797 449 H ASP 59 H ASP 59 12.388 -9.574 -0.169 450 HA ASP 59 HA ASP 59 13.580 -8.172 -2.471 451 HB2 ASP 59 1HB ASP 59 10.698 -8.959 -1.995 452 HB3 ASP 59 2HB ASP 59 11.258 -7.978 -3.347 453 HA PRO 60 HA PRO 60 12.821 -4.868 0.600 454 HB2 PRO 60 1HB PRO 60 14.837 -3.288 -0.300 455 HB3 PRO 60 2HB PRO 60 15.091 -4.614 0.841 456 HG2 PRO 60 1HG PRO 60 15.531 -4.551 -2.120 457 HG3 PRO 60 2HG PRO 60 16.556 -5.247 -0.851 458 HD2 PRO 60 1HD PRO 60 14.907 -6.754 -2.381 459 HD3 PRO 60 2HD PRO 60 15.279 -7.160 -0.694 460 H ASN 61 H ASN 61 12.363 -5.220 -2.668 461 HA ASN 61 HA ASN 61 11.359 -2.463 -2.947 462 HB2 ASN 61 1HB ASN 61 11.526 -3.166 -5.501 463 HB3 ASN 61 2HB ASN 61 12.919 -2.526 -4.634 464 HD21 ASN 61 1HD2 ASN 61 14.718 -3.657 -4.727 465 HD22 ASN 61 2HD2 ASN 61 14.847 -5.325 -5.159 466 H CYS 62 H CYS 62 10.211 -5.233 -2.074 467 HA CYS 62 HA CYS 62 7.763 -4.994 -3.690 468 HB2 CYS 62 1HB CYS 62 9.253 -7.076 -4.110 469 HB3 CYS 62 2HB CYS 62 8.661 -7.624 -2.546 470 HG CYS 62 HG CYS 62 6.251 -6.643 -4.657 471 H VAL 63 H VAL 63 5.858 -5.007 -2.598 472 HA VAL 63 HA VAL 63 6.004 -5.332 0.330 473 HB VAL 63 HB VAL 63 4.321 -3.619 0.594 474 HG11 VAL 63 1HG1 VAL 63 5.586 -1.658 -0.157 475 HG12 VAL 63 2HG1 VAL 63 6.644 -2.889 0.535 476 HG13 VAL 63 3HG1 VAL 63 6.549 -2.689 -1.215 477 HG21 VAL 63 1HG2 VAL 63 3.466 -2.329 -1.287 478 HG22 VAL 63 2HG2 VAL 63 4.393 -3.326 -2.409 479 HG23 VAL 63 3HG2 VAL 63 3.077 -4.039 -1.477 480 H THR 64 H THR 64 4.146 -6.171 1.378 481 HA THR 64 HA THR 64 2.445 -7.790 -0.398 482 HB THR 64 HB THR 64 3.151 -8.273 2.504 483 HG1 THR 64 1HG THR 64 4.134 -9.262 0.055 484 HG21 THR 64 1HG2 THR 64 2.080 -10.553 1.152 485 HG22 THR 64 2HG2 THR 64 0.959 -9.202 0.979 486 HG23 THR 64 3HG2 THR 64 1.468 -9.728 2.584 487 H VAL 65 H VAL 65 0.550 -6.801 -0.704 488 HA VAL 65 HA VAL 65 -0.687 -5.334 1.510 489 HB VAL 65 HB VAL 65 -1.374 -5.417 -1.430 490 HG11 VAL 65 1HG1 VAL 65 -2.604 -3.280 0.060 491 HG12 VAL 65 2HG1 VAL 65 -3.345 -4.481 -0.999 492 HG13 VAL 65 3HG1 VAL 65 -3.080 -4.850 0.705 493 HG21 VAL 65 1HG2 VAL 65 0.365 -3.755 0.209 494 HG22 VAL 65 2HG2 VAL 65 0.284 -3.921 -1.545 495 HG23 VAL 65 3HG2 VAL 65 -0.812 -2.819 -0.711 496 H THR 66 H THR 66 -2.280 -6.198 2.655 497 HA THR 66 HA THR 66 -3.547 -8.656 1.683 498 HB THR 66 HB THR 66 -3.864 -7.536 4.458 499 HG1 THR 66 1HG THR 66 -1.984 -8.508 5.051 500 HG21 THR 66 1HG2 THR 66 -3.975 -10.329 3.313 501 HG22 THR 66 2HG2 THR 66 -5.349 -9.359 3.844 502 HG23 THR 66 3HG2 THR 66 -4.160 -9.922 5.018 503 H GLY 67 H GLY 67 -5.857 -8.961 2.014 504 HA2 GLY 67 1HA GLY 67 -7.958 -7.757 2.691 505 HA3 GLY 67 2HA GLY 67 -7.327 -6.410 1.754 506 H LEU 68 H LEU 68 -9.819 -7.394 1.210 507 HA LEU 68 HA LEU 68 -10.223 -9.416 -0.547 508 HB2 LEU 68 1HB LEU 68 -11.353 -6.632 -0.553 509 HB3 LEU 68 2HB LEU 68 -11.910 -7.874 -1.673 510 HG LEU 68 HG LEU 68 -13.464 -7.770 0.126 511 HD11 LEU 68 1HD1 LEU 68 -13.640 -9.985 0.403 512 HD12 LEU 68 2HD1 LEU 68 -12.039 -10.124 1.128 513 HD13 LEU 68 3HD1 LEU 68 -12.210 -10.066 -0.626 514 HD21 LEU 68 1HD2 LEU 68 -12.961 -7.660 2.370 515 HD22 LEU 68 2HD2 LEU 68 -11.633 -6.734 1.670 516 HD23 LEU 68 3HD2 LEU 68 -11.378 -8.409 2.163 517 HA PRO 69 HA PRO 69 -7.914 -8.726 -4.218 518 HB2 PRO 69 1HB PRO 69 -9.567 -9.806 -6.080 519 HB3 PRO 69 2HB PRO 69 -8.655 -10.783 -4.924 520 HG2 PRO 69 1HG PRO 69 -11.522 -9.928 -4.833 521 HG3 PRO 69 2HG PRO 69 -10.813 -11.508 -4.451 522 HD2 PRO 69 1HD PRO 69 -11.516 -9.726 -2.538 523 HD3 PRO 69 2HD PRO 69 -10.149 -10.842 -2.347 524 H GLU 70 H GLU 70 -11.178 -7.511 -3.990 525 HA GLU 70 HA GLU 70 -10.930 -5.868 -6.365 526 HB2 GLU 70 1HB GLU 70 -13.178 -5.317 -6.073 527 HB3 GLU 70 2HB GLU 70 -13.087 -6.963 -5.465 528 HG2 GLU 70 1HG GLU 70 -14.290 -6.024 -3.793 529 HG3 GLU 70 2HG GLU 70 -12.668 -5.715 -3.176 530 H ASN 71 H ASN 71 -10.578 -5.554 -2.914 531 HA ASN 71 HA ASN 71 -10.522 -2.667 -2.965 532 HB2 ASN 71 1HB ASN 71 -10.211 -4.770 -0.860 533 HB3 ASN 71 2HB ASN 71 -9.616 -3.145 -0.533 534 HD21 ASN 71 1HD2 ASN 71 -11.886 -4.772 0.546 535 HD22 ASN 71 2HD2 ASN 71 -13.266 -3.742 0.402 536 H VAL 72 H VAL 72 -8.203 -5.314 -2.789 537 HA VAL 72 HA VAL 72 -5.904 -3.781 -2.257 538 HB VAL 72 HB VAL 72 -6.191 -6.426 -3.684 539 HG11 VAL 72 1HG1 VAL 72 -3.635 -6.250 -2.592 540 HG12 VAL 72 2HG1 VAL 72 -4.065 -6.201 -4.303 541 HG13 VAL 72 3HG1 VAL 72 -3.895 -4.700 -3.392 542 HG21 VAL 72 1HG2 VAL 72 -6.730 -5.918 -1.109 543 HG22 VAL 72 2HG2 VAL 72 -6.041 -7.443 -1.664 544 HG23 VAL 72 3HG2 VAL 72 -4.992 -6.195 -0.991 545 H GLU 73 H GLU 73 -7.291 -4.918 -5.329 546 HA GLU 73 HA GLU 73 -5.368 -3.968 -7.071 547 HB2 GLU 73 1HB GLU 73 -7.171 -3.877 -8.765 548 HB3 GLU 73 2HB GLU 73 -7.186 -5.369 -7.836 549 HG2 GLU 73 1HG GLU 73 -9.082 -4.723 -6.618 550 HG3 GLU 73 2HG GLU 73 -8.933 -3.040 -7.122 551 H GLU 74 H GLU 74 -8.026 -2.239 -5.534 552 HA GLU 74 HA GLU 74 -7.667 0.177 -7.002 553 HB2 GLU 74 1HB GLU 74 -9.071 -0.405 -4.392 554 HB3 GLU 74 2HB GLU 74 -9.093 1.166 -5.180 555 HG2 GLU 74 1HG GLU 74 -10.100 0.074 -7.178 556 HG3 GLU 74 2HG GLU 74 -10.218 -1.413 -6.239 557 H ALA 75 H ALA 75 -6.503 -1.031 -3.901 558 HA ALA 75 HA ALA 75 -5.352 1.352 -2.957 559 HB1 ALA 75 1HB ALA 75 -4.538 -1.500 -2.408 560 HB2 ALA 75 2HB ALA 75 -4.033 -0.091 -1.474 561 HB3 ALA 75 3HB ALA 75 -5.732 -0.563 -1.510 562 H ILE 76 H ILE 76 -3.876 -1.370 -4.720 563 HA ILE 76 HA ILE 76 -1.279 -0.546 -4.876 564 HB ILE 76 HB ILE 76 -2.890 -1.808 -7.098 565 HG12 ILE 76 1HG1 ILE 76 -0.986 -3.242 -5.276 566 HG13 ILE 76 2HG1 ILE 76 -2.632 -2.917 -4.744 567 HG21 ILE 76 1HG2 ILE 76 -0.452 -2.706 -7.583 568 HG22 ILE 76 2HG2 ILE 76 -1.023 -1.176 -8.248 569 HG23 ILE 76 3HG2 ILE 76 0.001 -1.186 -6.812 570 HD11 ILE 76 1HD1 ILE 76 -1.990 -5.163 -5.938 571 HD12 ILE 76 2HD1 ILE 76 -3.545 -4.383 -6.229 572 HD13 ILE 76 3HD1 ILE 76 -2.233 -4.196 -7.392 573 H ASP 77 H ASP 77 -3.835 0.313 -7.210 574 HA ASP 77 HA ASP 77 -2.486 1.909 -8.940 575 HB2 ASP 77 1HB ASP 77 -4.954 1.384 -8.964 576 HB3 ASP 77 2HB ASP 77 -5.171 2.680 -7.790 577 H HIS 78 H HIS 78 -3.581 2.796 -5.703 578 HA HIS 78 HA HIS 78 -2.778 5.525 -5.895 579 HB2 HIS 78 1HB HIS 78 -4.494 4.788 -4.300 580 HB3 HIS 78 2HB HIS 78 -3.294 3.821 -3.448 581 HD1 HIS 78 1HD HIS 78 -4.961 6.913 -3.153 582 HD2 HIS 78 2HD HIS 78 -1.031 5.694 -2.579 583 HE1 HIS 78 1HE HIS 78 -3.921 8.667 -1.681 584 H ILE 79 H ILE 79 -1.320 2.623 -4.468 585 HA ILE 79 HA ILE 79 0.921 3.799 -3.313 586 HB ILE 79 HB ILE 79 0.786 1.072 -4.604 587 HG12 ILE 79 1HG1 ILE 79 0.271 1.829 -1.722 588 HG13 ILE 79 2HG1 ILE 79 -1.001 1.541 -2.904 589 HG21 ILE 79 1HG2 ILE 79 2.441 1.023 -2.358 590 HG22 ILE 79 2HG2 ILE 79 2.931 0.925 -4.048 591 HG23 ILE 79 3HG2 ILE 79 2.884 2.488 -3.234 592 HD11 ILE 79 1HD1 ILE 79 -0.107 -0.756 -3.208 593 HD12 ILE 79 2HD1 ILE 79 1.016 -0.440 -1.885 594 HD13 ILE 79 3HD1 ILE 79 -0.722 -0.425 -1.588 595 H LEU 80 H LEU 80 0.626 2.338 -6.551 596 HA LEU 80 HA LEU 80 3.226 2.993 -7.404 597 HB2 LEU 80 1HB LEU 80 0.701 2.154 -8.715 598 HB3 LEU 80 2HB LEU 80 1.945 2.873 -9.735 599 HG LEU 80 HG LEU 80 2.427 0.486 -7.960 600 HD11 LEU 80 1HD1 LEU 80 2.175 0.210 -10.901 601 HD12 LEU 80 2HD1 LEU 80 0.690 0.355 -9.961 602 HD13 LEU 80 3HD1 LEU 80 1.827 -0.949 -9.617 603 HD21 LEU 80 1HD2 LEU 80 4.245 2.142 -9.040 604 HD22 LEU 80 2HD2 LEU 80 4.015 1.030 -10.389 605 HD23 LEU 80 3HD2 LEU 80 4.517 0.414 -8.814 606 H ASN 81 H ASN 81 0.184 4.751 -7.520 607 HA ASN 81 HA ASN 81 0.814 6.771 -9.304 608 HB2 ASN 81 1HB ASN 81 -1.398 6.804 -8.601 609 HB3 ASN 81 2HB ASN 81 -0.969 6.624 -6.902 610 HD21 ASN 81 1HD2 ASN 81 -2.261 8.354 -6.301 611 HD22 ASN 81 2HD2 ASN 81 -1.819 9.992 -6.630 612 H LEU 82 H LEU 82 1.391 6.688 -5.794 613 HA LEU 82 HA LEU 82 2.710 9.207 -5.722 614 HB2 LEU 82 1HB LEU 82 2.945 6.948 -3.745 615 HB3 LEU 82 2HB LEU 82 3.288 8.652 -3.457 616 HG LEU 82 HG LEU 82 0.544 7.586 -4.104 617 HD11 LEU 82 1HD1 LEU 82 0.193 8.089 -1.610 618 HD12 LEU 82 2HD1 LEU 82 1.947 7.959 -1.483 619 HD13 LEU 82 3HD1 LEU 82 1.001 6.585 -2.053 620 HD21 LEU 82 1HD2 LEU 82 0.624 9.875 -4.615 621 HD22 LEU 82 2HD2 LEU 82 1.626 10.242 -3.211 622 HD23 LEU 82 3HD2 LEU 82 -0.067 9.797 -2.994 623 H GLU 83 H GLU 83 3.738 5.935 -6.314 624 HA GLU 83 HA GLU 83 6.447 6.075 -5.770 625 HB2 GLU 83 1HB GLU 83 5.124 4.053 -6.519 626 HB3 GLU 83 2HB GLU 83 5.270 4.662 -8.162 627 HG2 GLU 83 1HG GLU 83 7.760 4.618 -7.847 628 HG3 GLU 83 2HG GLU 83 7.476 3.758 -6.334 629 H GLU 84 H GLU 84 4.722 7.055 -8.708 630 HA GLU 84 HA GLU 84 7.085 7.864 -10.092 631 HB2 GLU 84 1HB GLU 84 4.147 8.109 -10.560 632 HB3 GLU 84 2HB GLU 84 5.229 9.149 -11.475 633 HG2 GLU 84 1HG GLU 84 6.283 7.325 -12.511 634 HG3 GLU 84 2HG GLU 84 5.595 6.175 -11.366 635 H GLU 85 H GLU 85 4.501 9.613 -8.391 636 HA GLU 85 HA GLU 85 5.352 12.209 -8.854 637 HB2 GLU 85 1HB GLU 85 3.224 11.823 -7.828 638 HB3 GLU 85 2HB GLU 85 3.966 11.003 -6.461 639 HG2 GLU 85 1HG GLU 85 5.176 13.337 -6.184 640 HG3 GLU 85 2HG GLU 85 3.746 13.899 -7.048 641 H TYR 86 H TYR 86 6.058 10.248 -5.957 642 HA TYR 86 HA TYR 86 7.862 12.003 -4.778 643 HB2 TYR 86 1HB TYR 86 7.564 9.011 -4.624 644 HB3 TYR 86 2HB TYR 86 8.798 9.862 -3.702 645 HD1 TYR 86 2HD TYR 86 7.391 12.284 -2.849 646 HD2 TYR 86 1HD TYR 86 6.007 8.267 -3.068 647 HE1 TYR 86 2HE TYR 86 5.748 12.760 -1.082 648 HE2 TYR 86 1HE TYR 86 4.359 8.732 -1.303 649 HH TYR 86 HH TYR 86 3.603 11.878 -0.278 650 H LEU 87 H LEU 87 8.552 9.214 -6.884 651 HA LEU 87 HA LEU 87 11.301 9.380 -6.967 652 HB2 LEU 87 1HB LEU 87 9.228 8.430 -8.878 653 HB3 LEU 87 2HB LEU 87 10.890 8.569 -9.448 654 HG LEU 87 HG LEU 87 10.036 6.918 -7.072 655 HD11 LEU 87 1HD1 LEU 87 10.429 6.204 -9.961 656 HD12 LEU 87 2HD1 LEU 87 9.051 5.858 -8.917 657 HD13 LEU 87 3HD1 LEU 87 10.579 5.012 -8.670 658 HD21 LEU 87 1HD2 LEU 87 12.513 7.895 -7.682 659 HD22 LEU 87 2HD2 LEU 87 12.534 6.317 -8.470 660 HD23 LEU 87 3HD2 LEU 87 12.197 6.437 -6.742 661 H ALA 88 H ALA 88 8.934 11.167 -8.895 662 HA ALA 88 HA ALA 88 10.528 12.410 -10.741 663 HB1 ALA 88 1HB ALA 88 8.276 13.722 -9.223 664 HB2 ALA 88 2HB ALA 88 8.901 14.203 -10.801 665 HB3 ALA 88 3HB ALA 88 8.081 12.653 -10.612 666 H ASP 89 H ASP 89 10.457 12.915 -7.318 667 HA ASP 89 HA ASP 89 12.042 15.363 -7.524 668 HB2 ASP 89 1HB ASP 89 10.076 14.981 -5.868 669 HB3 ASP 89 2HB ASP 89 11.250 14.051 -4.940 670 H SER 90 H SER 90 13.555 13.528 -8.574 671 HA SER 90 HA SER 90 15.151 12.160 -6.576 672 HB2 SER 90 1HB SER 90 14.630 11.095 -8.765 673 HB3 SER 90 2HB SER 90 15.578 12.346 -9.568 674 HG SER 90 HG SER 90 16.414 10.095 -8.325 675 H GLY 91 H GLY 91 15.561 14.784 -8.931 676 HA2 GLY 91 1HA GLY 91 17.975 15.601 -7.433 677 HA3 GLY 91 2HA GLY 91 17.864 15.725 -9.183 678 HA PRO 92 HA PRO 92 16.737 19.847 -7.438 679 HB2 PRO 92 1HB PRO 92 18.137 21.260 -9.285 680 HB3 PRO 92 2HB PRO 92 18.866 20.631 -7.803 681 HG2 PRO 92 1HG PRO 92 18.945 19.508 -10.576 682 HG3 PRO 92 2HG PRO 92 20.253 19.643 -9.386 683 HD2 PRO 92 1HD PRO 92 18.917 17.329 -9.826 684 HD3 PRO 92 2HD PRO 92 19.568 17.768 -8.234 685 H SER 93 H SER 93 14.649 20.115 -8.003 686 HA SER 93 HA SER 93 13.823 19.966 -10.779 687 HB2 SER 93 1HB SER 93 11.545 20.284 -9.880 688 HB3 SER 93 2HB SER 93 12.388 18.968 -9.064 689 HG SER 93 HG SER 93 12.637 20.213 -7.287 690 H SER 94 H SER 94 13.611 22.386 -8.169 691 HA SER 94 HA SER 94 12.563 24.504 -9.542 692 HB2 SER 94 1HB SER 94 14.672 24.462 -7.382 693 HB3 SER 94 2HB SER 94 13.965 25.960 -7.987 694 HG SER 94 HG SER 94 13.005 24.537 -6.088 695 H GLY 95 H GLY 95 13.495 26.375 -10.558 696 HA2 GLY 95 1HA GLY 95 15.976 25.714 -12.018 697 HA3 GLY 95 2HA GLY 95 14.667 26.686 -12.675 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -36.031 8.967 -7.894 2 HA2 GLY 1 1HA GLY 1 -36.245 7.670 -10.539 3 HA3 GLY 1 2HA GLY 1 -35.318 9.131 -10.233 4 H SER 2 H SER 2 -35.419 6.186 -8.277 5 HA SER 2 HA SER 2 -32.706 5.510 -9.136 6 HB2 SER 2 1HB SER 2 -32.782 7.016 -7.004 7 HB3 SER 2 2HB SER 2 -33.316 5.543 -6.195 8 HG SER 2 HG SER 2 -31.038 5.488 -7.839 9 H SER 3 H SER 3 -32.033 3.354 -8.425 10 HA SER 3 HA SER 3 -33.891 1.542 -7.262 11 HB2 SER 3 1HB SER 3 -34.272 0.135 -9.271 12 HB3 SER 3 2HB SER 3 -35.004 1.732 -9.422 13 HG SER 3 HG SER 3 -33.900 1.216 -11.317 14 H GLY 4 H GLY 4 -32.417 0.523 -6.053 15 HA2 GLY 4 1HA GLY 4 -30.909 -1.400 -6.074 16 HA3 GLY 4 2HA GLY 4 -30.105 -0.666 -7.453 17 H SER 5 H SER 5 -30.572 -0.522 -3.986 18 HA SER 5 HA SER 5 -28.736 1.656 -3.605 19 HB2 SER 5 1HB SER 5 -30.712 0.916 -2.079 20 HB3 SER 5 2HB SER 5 -29.557 -0.247 -1.427 21 HG SER 5 HG SER 5 -29.703 2.472 -1.081 22 H SER 6 H SER 6 -26.730 1.498 -2.426 23 HA SER 6 HA SER 6 -25.454 -1.119 -2.334 24 HB2 SER 6 1HB SER 6 -25.029 -0.181 -4.624 25 HB3 SER 6 2HB SER 6 -24.189 1.168 -3.859 26 HG SER 6 HG SER 6 -23.289 -1.316 -4.391 27 H GLY 7 H GLY 7 -23.451 -1.124 -1.130 28 HA2 GLY 7 1HA GLY 7 -22.675 1.274 0.287 29 HA3 GLY 7 2HA GLY 7 -23.477 0.075 1.291 30 H ARG 8 H ARG 8 -20.575 1.207 0.750 31 HA ARG 8 HA ARG 8 -18.889 -0.832 -0.024 32 HB2 ARG 8 1HB ARG 8 -18.616 1.493 1.821 33 HB3 ARG 8 2HB ARG 8 -17.344 0.280 1.830 34 HG2 ARG 8 1HG ARG 8 -18.294 1.622 -0.684 35 HG3 ARG 8 2HG ARG 8 -16.988 2.261 0.317 36 HD2 ARG 8 1HD ARG 8 -16.882 -0.587 -0.555 37 HD3 ARG 8 2HD ARG 8 -16.490 0.675 -1.722 38 HE ARG 8 HE ARG 8 -14.819 -0.261 0.338 39 HH11 ARG 8 1HH1 ARG 8 -15.833 2.710 -1.168 40 HH12 ARG 8 2HH1 ARG 8 -14.361 3.548 -0.806 41 HH21 ARG 8 1HH2 ARG 8 -12.876 0.832 0.821 42 HH22 ARG 8 2HH2 ARG 8 -12.679 2.479 0.324 43 H ILE 9 H ILE 9 -17.327 -1.997 1.520 44 HA ILE 9 HA ILE 9 -18.459 -2.852 4.033 45 HB ILE 9 HB ILE 9 -18.148 -5.334 3.149 46 HG12 ILE 9 1HG1 ILE 9 -19.193 -5.467 0.848 47 HG13 ILE 9 2HG1 ILE 9 -18.909 -3.736 0.699 48 HG21 ILE 9 1HG2 ILE 9 -20.744 -4.222 2.315 49 HG22 ILE 9 2HG2 ILE 9 -20.374 -5.517 3.453 50 HG23 ILE 9 3HG2 ILE 9 -20.236 -3.833 3.959 51 HD11 ILE 9 1HD1 ILE 9 -17.204 -5.279 -0.354 52 HD12 ILE 9 2HD1 ILE 9 -16.580 -4.016 0.707 53 HD13 ILE 9 3HD1 ILE 9 -16.700 -5.676 1.288 54 H VAL 10 H VAL 10 -17.054 -4.738 4.932 55 HA VAL 10 HA VAL 10 -14.250 -4.019 4.416 56 HB VAL 10 HB VAL 10 -15.315 -5.471 6.835 57 HG11 VAL 10 1HG1 VAL 10 -12.833 -3.810 6.729 58 HG12 VAL 10 2HG1 VAL 10 -13.234 -5.164 7.788 59 HG13 VAL 10 3HG1 VAL 10 -12.816 -5.457 6.099 60 HG21 VAL 10 1HG2 VAL 10 -14.677 -2.917 7.650 61 HG22 VAL 10 2HG2 VAL 10 -15.510 -2.657 6.116 62 HG23 VAL 10 3HG2 VAL 10 -16.305 -3.552 7.411 63 H GLY 11 H GLY 11 -16.362 -6.812 5.023 64 HA2 GLY 11 1HA GLY 11 -16.210 -8.839 3.795 65 HA3 GLY 11 2HA GLY 11 -14.544 -8.443 3.400 66 H GLU 12 H GLU 12 -14.308 -10.763 4.048 67 HA GLU 12 HA GLU 12 -14.073 -11.026 6.972 68 HB2 GLU 12 1HB GLU 12 -14.717 -12.977 4.805 69 HB3 GLU 12 2HB GLU 12 -13.884 -13.559 6.240 70 HG2 GLU 12 1HG GLU 12 -15.761 -12.387 7.547 71 HG3 GLU 12 2HG GLU 12 -16.617 -12.371 6.006 72 H LEU 13 H LEU 13 -12.186 -11.886 7.864 73 HA LEU 13 HA LEU 13 -9.773 -11.077 6.838 74 HB2 LEU 13 1HB LEU 13 -10.523 -13.191 8.813 75 HB3 LEU 13 2HB LEU 13 -8.837 -12.984 8.342 76 HG LEU 13 HG LEU 13 -10.505 -10.749 9.477 77 HD11 LEU 13 1HD1 LEU 13 -9.609 -11.209 11.630 78 HD12 LEU 13 2HD1 LEU 13 -8.579 -12.493 10.997 79 HD13 LEU 13 3HD1 LEU 13 -10.329 -12.705 11.034 80 HD21 LEU 13 1HD2 LEU 13 -8.720 -9.642 8.667 81 HD22 LEU 13 2HD2 LEU 13 -7.721 -11.093 8.585 82 HD23 LEU 13 3HD2 LEU 13 -7.931 -10.252 10.122 83 H GLU 14 H GLU 14 -10.900 -14.466 6.877 84 HA GLU 14 HA GLU 14 -8.895 -15.547 5.309 85 HB2 GLU 14 1HB GLU 14 -11.799 -16.386 5.375 86 HB3 GLU 14 2HB GLU 14 -10.457 -17.373 4.817 87 HG2 GLU 14 1HG GLU 14 -9.619 -17.677 6.954 88 HG3 GLU 14 2HG GLU 14 -10.473 -16.274 7.595 89 H GLN 15 H GLN 15 -12.002 -14.176 4.273 90 HA GLN 15 HA GLN 15 -11.899 -14.704 1.575 91 HB2 GLN 15 1HB GLN 15 -13.006 -12.361 3.103 92 HB3 GLN 15 2HB GLN 15 -13.152 -12.463 1.353 93 HG2 GLN 15 1HG GLN 15 -14.084 -14.684 3.133 94 HG3 GLN 15 2HG GLN 15 -15.103 -13.290 2.776 95 HE21 GLN 15 1HE2 GLN 15 -15.624 -12.875 0.547 96 HE22 GLN 15 2HE2 GLN 15 -15.707 -14.188 -0.573 97 H MET 16 H MET 16 -10.380 -12.030 3.333 98 HA MET 16 HA MET 16 -9.437 -10.484 1.283 99 HB2 MET 16 1HB MET 16 -7.781 -11.205 3.701 100 HB3 MET 16 2HB MET 16 -7.710 -9.721 2.761 101 HG2 MET 16 1HG MET 16 -10.181 -9.441 3.483 102 HG3 MET 16 2HG MET 16 -9.766 -10.613 4.731 103 HE1 MET 16 1HE MET 16 -10.865 -7.706 4.755 104 HE2 MET 16 2HE MET 16 -10.528 -8.038 6.453 105 HE3 MET 16 3HE MET 16 -9.875 -6.587 5.692 106 H VAL 17 H VAL 17 -7.273 -10.329 0.323 107 HA VAL 17 HA VAL 17 -5.909 -12.911 0.021 108 HB VAL 17 HB VAL 17 -5.685 -12.537 -2.410 109 HG11 VAL 17 1HG1 VAL 17 -7.577 -13.684 -2.845 110 HG12 VAL 17 2HG1 VAL 17 -7.752 -13.667 -1.089 111 HG13 VAL 17 3HG1 VAL 17 -8.610 -12.481 -2.074 112 HG21 VAL 17 1HG2 VAL 17 -7.758 -10.378 -2.066 113 HG22 VAL 17 2HG2 VAL 17 -6.037 -10.063 -2.290 114 HG23 VAL 17 3HG2 VAL 17 -6.958 -10.872 -3.558 115 H SER 18 H SER 18 -3.725 -12.793 -0.158 116 HA SER 18 HA SER 18 -2.520 -10.189 0.312 117 HB2 SER 18 1HB SER 18 -0.634 -11.333 1.093 118 HB3 SER 18 2HB SER 18 -1.957 -12.404 1.553 119 HG SER 18 HG SER 18 0.102 -12.831 -0.176 120 H GLU 19 H GLU 19 -1.687 -8.991 -1.254 121 HA GLU 19 HA GLU 19 -0.840 -10.322 -3.743 122 HB2 GLU 19 1HB GLU 19 -2.413 -7.845 -3.260 123 HB3 GLU 19 2HB GLU 19 -1.290 -7.836 -4.612 124 HG2 GLU 19 1HG GLU 19 -3.276 -10.047 -4.265 125 HG3 GLU 19 2HG GLU 19 -3.719 -8.527 -5.040 126 H ASP 20 H ASP 20 0.915 -9.305 -4.909 127 HA ASP 20 HA ASP 20 2.805 -7.982 -3.083 128 HB2 ASP 20 1HB ASP 20 3.189 -9.832 -5.420 129 HB3 ASP 20 2HB ASP 20 4.496 -8.782 -4.881 130 H VAL 21 H VAL 21 3.172 -5.900 -3.414 131 HA VAL 21 HA VAL 21 2.749 -4.807 -6.120 132 HB VAL 21 HB VAL 21 2.679 -3.100 -3.658 133 HG11 VAL 21 1HG1 VAL 21 2.562 -1.662 -5.401 134 HG12 VAL 21 2HG1 VAL 21 1.917 -2.879 -6.504 135 HG13 VAL 21 3HG1 VAL 21 0.852 -2.089 -5.340 136 HG21 VAL 21 1HG2 VAL 21 0.195 -3.402 -3.652 137 HG22 VAL 21 2HG2 VAL 21 0.417 -4.771 -4.742 138 HG23 VAL 21 3HG2 VAL 21 1.105 -4.816 -3.119 139 HA PRO 22 HA PRO 22 7.141 -4.050 -5.947 140 HB2 PRO 22 1HB PRO 22 7.308 -2.877 -8.390 141 HB3 PRO 22 2HB PRO 22 7.172 -4.626 -8.171 142 HG2 PRO 22 1HG PRO 22 5.046 -2.632 -8.853 143 HG3 PRO 22 2HG PRO 22 5.328 -4.244 -9.535 144 HD2 PRO 22 1HD PRO 22 3.430 -3.765 -7.664 145 HD3 PRO 22 2HD PRO 22 4.300 -5.309 -7.768 146 H LEU 23 H LEU 23 7.440 -2.476 -4.417 147 HA LEU 23 HA LEU 23 6.954 0.302 -5.273 148 HB2 LEU 23 1HB LEU 23 5.589 -0.551 -3.329 149 HB3 LEU 23 2HB LEU 23 7.098 -0.663 -2.426 150 HG LEU 23 HG LEU 23 7.394 1.792 -2.752 151 HD11 LEU 23 1HD1 LEU 23 6.164 2.445 -4.575 152 HD12 LEU 23 2HD1 LEU 23 5.092 2.926 -3.261 153 HD13 LEU 23 3HD1 LEU 23 4.785 1.433 -4.146 154 HD21 LEU 23 1HD2 LEU 23 5.821 0.411 -0.933 155 HD22 LEU 23 2HD2 LEU 23 4.820 1.776 -1.427 156 HD23 LEU 23 3HD2 LEU 23 6.430 2.058 -0.764 157 H ASP 24 H ASP 24 8.780 1.304 -5.764 158 HA ASP 24 HA ASP 24 11.348 0.404 -5.335 159 HB2 ASP 24 1HB ASP 24 10.452 2.363 -6.802 160 HB3 ASP 24 2HB ASP 24 10.773 3.350 -5.379 161 H HIS 25 H HIS 25 12.844 0.555 -3.746 162 HA HIS 25 HA HIS 25 11.963 1.088 -1.096 163 HB2 HIS 25 1HB HIS 25 13.605 -0.578 -1.259 164 HB3 HIS 25 2HB HIS 25 14.619 0.395 -2.320 165 HD1 HIS 25 1HD HIS 25 14.247 -0.598 1.136 166 HD2 HIS 25 2HD HIS 25 15.841 2.667 -0.879 167 HE1 HIS 25 1HE HIS 25 15.748 0.550 2.796 168 H ARG 26 H ARG 26 13.215 3.060 -3.566 169 HA ARG 26 HA ARG 26 14.506 5.011 -1.925 170 HB2 ARG 26 1HB ARG 26 13.648 4.873 -4.789 171 HB3 ARG 26 2HB ARG 26 14.102 6.426 -4.100 172 HG2 ARG 26 1HG ARG 26 16.302 5.819 -3.831 173 HG3 ARG 26 2HG ARG 26 15.930 4.095 -3.776 174 HD2 ARG 26 1HD ARG 26 15.348 4.186 -6.179 175 HD3 ARG 26 2HD ARG 26 15.838 5.880 -6.204 176 HE ARG 26 HE ARG 26 17.556 3.577 -6.207 177 HH11 ARG 26 1HH1 ARG 26 17.305 6.960 -5.424 178 HH12 ARG 26 2HH1 ARG 26 19.009 7.248 -5.544 179 HH21 ARG 26 1HH2 ARG 26 19.802 3.943 -6.367 180 HH22 ARG 26 2HH2 ARG 26 20.429 5.532 -6.081 181 H VAL 27 H VAL 27 11.253 4.308 -2.705 182 HA VAL 27 HA VAL 27 10.397 6.953 -1.723 183 HB VAL 27 HB VAL 27 8.336 6.701 -2.899 184 HG11 VAL 27 1HG1 VAL 27 9.200 7.270 -4.878 185 HG12 VAL 27 2HG1 VAL 27 10.773 6.916 -4.161 186 HG13 VAL 27 3HG1 VAL 27 9.936 5.684 -5.107 187 HG21 VAL 27 1HG2 VAL 27 7.670 4.738 -4.087 188 HG22 VAL 27 2HG2 VAL 27 9.228 3.965 -3.796 189 HG23 VAL 27 3HG2 VAL 27 8.120 4.248 -2.453 190 H HIS 28 H HIS 28 10.555 3.650 -1.000 191 HA HIS 28 HA HIS 28 8.359 2.885 0.329 192 HB2 HIS 28 1HB HIS 28 11.255 2.559 0.934 193 HB3 HIS 28 2HB HIS 28 10.109 2.082 2.183 194 HD2 HIS 28 2HD HIS 28 8.661 1.289 -1.226 195 HE1 HIS 28 1HE HIS 28 10.578 -2.252 0.109 196 HE2 HIS 28 2HE HIS 28 9.081 -1.230 -1.640 197 H ALA 29 H ALA 29 10.893 4.824 1.932 198 HA ALA 29 HA ALA 29 9.443 5.344 4.269 199 HB1 ALA 29 1HB ALA 29 11.976 5.941 3.310 200 HB2 ALA 29 2HB ALA 29 11.225 7.515 3.575 201 HB3 ALA 29 3HB ALA 29 11.325 6.352 4.897 202 H ARG 30 H ARG 30 9.989 7.504 1.479 203 HA ARG 30 HA ARG 30 8.563 9.687 2.136 204 HB2 ARG 30 1HB ARG 30 8.736 8.227 -0.484 205 HB3 ARG 30 2HB ARG 30 7.798 9.708 -0.341 206 HG2 ARG 30 1HG ARG 30 10.621 9.678 0.611 207 HG3 ARG 30 2HG ARG 30 10.287 9.774 -1.120 208 HD2 ARG 30 1HD ARG 30 10.489 12.004 -0.335 209 HD3 ARG 30 2HD ARG 30 8.772 11.714 -0.611 210 HE ARG 30 HE ARG 30 8.395 11.903 1.654 211 HH11 ARG 30 1HH1 ARG 30 11.816 11.758 1.023 212 HH12 ARG 30 2HH1 ARG 30 12.265 12.206 2.635 213 HH21 ARG 30 1HH2 ARG 30 8.974 12.494 3.780 214 HH22 ARG 30 2HH2 ARG 30 10.647 12.623 4.203 215 H ILE 31 H ILE 31 7.220 6.564 1.262 216 HA ILE 31 HA ILE 31 4.496 7.567 1.340 217 HB ILE 31 HB ILE 31 5.638 4.819 0.862 218 HG12 ILE 31 1HG1 ILE 31 3.999 6.606 -0.944 219 HG13 ILE 31 2HG1 ILE 31 5.759 6.569 -0.946 220 HG21 ILE 31 1HG2 ILE 31 3.011 5.536 1.784 221 HG22 ILE 31 2HG2 ILE 31 2.927 4.807 0.182 222 HG23 ILE 31 3HG2 ILE 31 3.703 3.939 1.505 223 HD11 ILE 31 1HD1 ILE 31 5.787 4.322 -1.707 224 HD12 ILE 31 2HD1 ILE 31 4.049 4.155 -1.462 225 HD13 ILE 31 3HD1 ILE 31 4.663 5.215 -2.730 226 H ILE 32 H ILE 32 6.470 5.224 3.152 227 HA ILE 32 HA ILE 32 4.664 4.413 5.050 228 HB ILE 32 HB ILE 32 7.618 4.934 5.332 229 HG12 ILE 32 1HG1 ILE 32 6.116 2.317 5.224 230 HG13 ILE 32 2HG1 ILE 32 6.739 3.121 3.788 231 HG21 ILE 32 1HG2 ILE 32 7.090 5.016 7.549 232 HG22 ILE 32 2HG2 ILE 32 5.627 4.054 7.351 233 HG23 ILE 32 3HG2 ILE 32 7.205 3.268 7.345 234 HD11 ILE 32 1HD1 ILE 32 8.071 1.299 5.380 235 HD12 ILE 32 2HD1 ILE 32 8.780 2.336 4.142 236 HD13 ILE 32 3HD1 ILE 32 8.768 2.856 5.827 237 H GLY 33 H GLY 33 6.628 7.365 5.062 238 HA2 GLY 33 1HA GLY 33 5.868 9.416 5.977 239 HA3 GLY 33 2HA GLY 33 4.748 8.519 6.991 240 H ALA 34 H ALA 34 5.730 10.137 8.552 241 HA ALA 34 HA ALA 34 8.397 9.570 9.485 242 HB1 ALA 34 1HB ALA 34 6.313 11.555 10.052 243 HB2 ALA 34 2HB ALA 34 7.302 11.102 11.440 244 HB3 ALA 34 3HB ALA 34 8.066 11.734 9.982 245 H ARG 35 H ARG 35 5.206 9.430 11.085 246 HA ARG 35 HA ARG 35 6.283 7.390 12.898 247 HB2 ARG 35 1HB ARG 35 4.335 7.889 14.315 248 HB3 ARG 35 2HB ARG 35 5.287 9.331 13.983 249 HG2 ARG 35 1HG ARG 35 3.197 10.160 13.652 250 HG3 ARG 35 2HG ARG 35 3.555 9.604 12.016 251 HD2 ARG 35 1HD ARG 35 1.297 8.954 12.821 252 HD3 ARG 35 2HD ARG 35 2.310 7.584 12.368 253 HE ARG 35 HE ARG 35 2.469 8.195 15.157 254 HH11 ARG 35 1HH1 ARG 35 0.586 6.564 12.726 255 HH12 ARG 35 2HH1 ARG 35 -0.112 5.434 13.838 256 HH21 ARG 35 1HH2 ARG 35 1.558 6.713 16.631 257 HH22 ARG 35 2HH2 ARG 35 0.441 5.520 16.060 258 H GLY 36 H GLY 36 5.072 7.219 10.022 259 HA2 GLY 36 1HA GLY 36 4.159 5.374 8.938 260 HA3 GLY 36 2HA GLY 36 3.755 4.687 10.504 261 H LYS 37 H LYS 37 2.844 7.897 9.381 262 HA LYS 37 HA LYS 37 0.040 7.174 9.764 263 HB2 LYS 37 1HB LYS 37 1.071 9.233 10.821 264 HB3 LYS 37 2HB LYS 37 1.174 9.915 9.203 265 HG2 LYS 37 1HG LYS 37 -1.446 8.905 10.206 266 HG3 LYS 37 2HG LYS 37 -0.847 10.477 10.742 267 HD2 LYS 37 1HD LYS 37 -0.518 11.019 8.280 268 HD3 LYS 37 2HD LYS 37 -1.474 9.574 7.941 269 HE2 LYS 37 1HE LYS 37 -2.385 11.902 9.629 270 HE3 LYS 37 2HE LYS 37 -2.817 11.650 7.939 271 HZ1 LYS 37 1HZ LYS 37 -3.510 9.305 9.018 272 HZ2 LYS 37 2HZ LYS 37 -4.574 10.604 8.823 273 HZ3 LYS 37 3HZ LYS 37 -3.824 10.343 10.317 274 H ALA 38 H ALA 38 2.106 8.747 7.332 275 HA ALA 38 HA ALA 38 0.291 9.225 5.339 276 HB1 ALA 38 1HB ALA 38 3.182 8.616 5.391 277 HB2 ALA 38 2HB ALA 38 2.370 8.472 3.832 278 HB3 ALA 38 3HB ALA 38 2.323 9.999 4.713 279 H ILE 39 H ILE 39 1.632 6.151 6.331 280 HA ILE 39 HA ILE 39 0.482 4.751 4.060 281 HB ILE 39 HB ILE 39 2.688 4.088 5.042 282 HG12 ILE 39 1HG1 ILE 39 2.099 1.600 5.106 283 HG13 ILE 39 2HG1 ILE 39 0.425 2.099 4.888 284 HG21 ILE 39 1HG2 ILE 39 2.900 3.124 7.133 285 HG22 ILE 39 2HG2 ILE 39 1.728 4.406 7.431 286 HG23 ILE 39 3HG2 ILE 39 1.183 2.740 7.244 287 HD11 ILE 39 1HD1 ILE 39 1.676 1.419 2.812 288 HD12 ILE 39 2HD1 ILE 39 0.869 2.987 2.754 289 HD13 ILE 39 3HD1 ILE 39 2.613 2.901 2.999 290 H ARG 40 H ARG 40 -0.310 5.511 7.335 291 HA ARG 40 HA ARG 40 -2.129 3.421 7.866 292 HB2 ARG 40 1HB ARG 40 -1.249 4.820 9.650 293 HB3 ARG 40 2HB ARG 40 -2.019 6.239 8.952 294 HG2 ARG 40 1HG ARG 40 -3.389 5.610 10.741 295 HG3 ARG 40 2HG ARG 40 -4.223 5.029 9.298 296 HD2 ARG 40 1HD ARG 40 -4.371 3.184 10.655 297 HD3 ARG 40 2HD ARG 40 -2.881 2.833 9.779 298 HE ARG 40 HE ARG 40 -2.449 4.255 12.234 299 HH11 ARG 40 1HH1 ARG 40 -2.909 1.116 10.800 300 HH12 ARG 40 2HH1 ARG 40 -2.093 0.271 12.073 301 HH21 ARG 40 1HH2 ARG 40 -1.373 3.153 13.916 302 HH22 ARG 40 2HH2 ARG 40 -1.221 1.430 13.846 303 H LYS 41 H LYS 41 -2.555 6.649 6.473 304 HA LYS 41 HA LYS 41 -5.356 6.594 6.272 305 HB2 LYS 41 1HB LYS 41 -5.155 8.467 4.825 306 HB3 LYS 41 2HB LYS 41 -3.842 8.600 5.989 307 HG2 LYS 41 1HG LYS 41 -2.310 7.625 4.311 308 HG3 LYS 41 2HG LYS 41 -3.637 7.628 3.147 309 HD2 LYS 41 1HD LYS 41 -3.004 10.170 4.552 310 HD3 LYS 41 2HD LYS 41 -1.896 9.621 3.292 311 HE2 LYS 41 1HE LYS 41 -4.867 9.828 2.870 312 HE3 LYS 41 2HE LYS 41 -3.769 11.173 2.566 313 HZ1 LYS 41 1HZ LYS 41 -3.047 10.250 0.682 314 HZ2 LYS 41 2HZ LYS 41 -4.430 9.280 0.766 315 HZ3 LYS 41 3HZ LYS 41 -2.952 8.696 1.344 316 H ILE 42 H ILE 42 -2.835 5.620 3.975 317 HA ILE 42 HA ILE 42 -4.497 4.978 1.821 318 HB ILE 42 HB ILE 42 -1.824 3.845 2.633 319 HG12 ILE 42 1HG1 ILE 42 -2.595 5.775 0.435 320 HG13 ILE 42 2HG1 ILE 42 -1.930 6.249 1.994 321 HG21 ILE 42 1HG2 ILE 42 -3.559 3.234 0.273 322 HG22 ILE 42 2HG2 ILE 42 -1.803 3.145 0.143 323 HG23 ILE 42 3HG2 ILE 42 -2.653 2.131 1.308 324 HD11 ILE 42 1HD1 ILE 42 -0.125 6.292 0.515 325 HD12 ILE 42 2HD1 ILE 42 0.058 4.779 1.403 326 HD13 ILE 42 3HD1 ILE 42 -0.590 4.766 -0.236 327 H MET 43 H MET 43 -3.445 3.035 4.582 328 HA MET 43 HA MET 43 -4.540 0.586 3.717 329 HB2 MET 43 1HB MET 43 -3.746 1.682 6.396 330 HB3 MET 43 2HB MET 43 -4.541 0.118 6.274 331 HG2 MET 43 1HG MET 43 -2.723 -0.522 4.634 332 HG3 MET 43 2HG MET 43 -1.889 0.944 5.142 333 HE1 MET 43 1HE MET 43 -0.171 0.071 8.296 334 HE2 MET 43 2HE MET 43 0.046 0.641 6.642 335 HE3 MET 43 3HE MET 43 -1.156 1.401 7.686 336 H ASP 44 H ASP 44 -5.800 2.941 6.083 337 HA ASP 44 HA ASP 44 -8.279 1.692 6.469 338 HB2 ASP 44 1HB ASP 44 -7.199 4.432 6.950 339 HB3 ASP 44 2HB ASP 44 -8.942 4.197 7.044 340 H GLU 45 H GLU 45 -7.170 3.959 4.036 341 HA GLU 45 HA GLU 45 -9.549 4.870 2.983 342 HB2 GLU 45 1HB GLU 45 -7.434 5.712 2.187 343 HB3 GLU 45 2HB GLU 45 -6.991 4.132 1.558 344 HG2 GLU 45 1HG GLU 45 -7.647 5.538 -0.260 345 HG3 GLU 45 2HG GLU 45 -8.864 4.282 -0.042 346 H PHE 46 H PHE 46 -7.754 1.976 1.919 347 HA PHE 46 HA PHE 46 -10.225 0.993 0.669 348 HB2 PHE 46 1HB PHE 46 -7.417 -0.040 0.248 349 HB3 PHE 46 2HB PHE 46 -8.846 -0.415 -0.710 350 HD1 PHE 46 1HD PHE 46 -6.307 2.114 0.044 351 HD2 PHE 46 2HD PHE 46 -9.673 1.117 -2.363 352 HE1 PHE 46 1HE PHE 46 -5.776 3.982 -1.467 353 HE2 PHE 46 2HE PHE 46 -9.147 2.983 -3.878 354 HZ PHE 46 HZ PHE 46 -7.196 4.418 -3.431 355 H LYS 47 H LYS 47 -8.905 0.799 3.550 356 HA LYS 47 HA LYS 47 -8.923 -0.683 5.277 357 HB2 LYS 47 1HB LYS 47 -10.918 -2.155 3.545 358 HB3 LYS 47 2HB LYS 47 -10.690 -2.374 5.275 359 HG2 LYS 47 1HG LYS 47 -11.495 0.253 4.060 360 HG3 LYS 47 2HG LYS 47 -12.660 -0.968 4.579 361 HD2 LYS 47 1HD LYS 47 -11.682 -0.886 6.847 362 HD3 LYS 47 2HD LYS 47 -10.597 0.398 6.309 363 HE2 LYS 47 1HE LYS 47 -12.726 1.646 5.623 364 HE3 LYS 47 2HE LYS 47 -13.584 0.464 6.611 365 HZ1 LYS 47 1HZ LYS 47 -13.164 2.313 7.983 366 HZ2 LYS 47 2HZ LYS 47 -11.550 2.429 7.491 367 HZ3 LYS 47 3HZ LYS 47 -12.048 1.135 8.461 368 H VAL 48 H VAL 48 -6.814 -1.019 3.536 369 HA VAL 48 HA VAL 48 -6.495 -3.950 3.461 370 HB VAL 48 HB VAL 48 -4.740 -3.538 1.715 371 HG11 VAL 48 1HG1 VAL 48 -6.418 -4.234 0.436 372 HG12 VAL 48 2HG1 VAL 48 -7.606 -3.430 1.463 373 HG13 VAL 48 3HG1 VAL 48 -6.829 -2.544 0.151 374 HG21 VAL 48 1HG2 VAL 48 -5.892 -0.757 1.830 375 HG22 VAL 48 2HG2 VAL 48 -4.216 -1.239 2.096 376 HG23 VAL 48 3HG2 VAL 48 -4.924 -1.364 0.486 377 H ASP 49 H ASP 49 -4.246 -4.706 3.755 378 HA ASP 49 HA ASP 49 -2.824 -3.009 5.700 379 HB2 ASP 49 1HB ASP 49 -2.786 -6.029 5.531 380 HB3 ASP 49 2HB ASP 49 -2.050 -5.034 6.784 381 H ILE 50 H ILE 50 -1.057 -2.146 4.847 382 HA ILE 50 HA ILE 50 0.349 -3.534 2.696 383 HB ILE 50 HB ILE 50 0.716 -0.744 3.795 384 HG12 ILE 50 1HG1 ILE 50 -0.403 -1.618 1.127 385 HG13 ILE 50 2HG1 ILE 50 -1.406 -1.231 2.520 386 HG21 ILE 50 1HG2 ILE 50 2.658 -0.659 2.729 387 HG22 ILE 50 2HG2 ILE 50 2.478 -2.347 2.256 388 HG23 ILE 50 3HG2 ILE 50 1.852 -1.068 1.215 389 HD11 ILE 50 1HD1 ILE 50 0.532 0.678 1.238 390 HD12 ILE 50 2HD1 ILE 50 -1.197 0.615 0.895 391 HD13 ILE 50 3HD1 ILE 50 -0.634 1.037 2.512 392 H ARG 51 H ARG 51 1.824 -4.962 3.344 393 HA ARG 51 HA ARG 51 3.418 -4.387 5.739 394 HB2 ARG 51 1HB ARG 51 2.170 -6.584 5.482 395 HB3 ARG 51 2HB ARG 51 3.313 -6.983 4.206 396 HG2 ARG 51 1HG ARG 51 3.966 -8.001 6.307 397 HG3 ARG 51 2HG ARG 51 5.157 -6.802 5.797 398 HD2 ARG 51 1HD ARG 51 4.335 -5.210 7.373 399 HD3 ARG 51 2HD ARG 51 2.944 -6.224 7.756 400 HE ARG 51 HE ARG 51 5.514 -7.429 8.292 401 HH11 ARG 51 1HH1 ARG 51 2.885 -5.518 9.541 402 HH12 ARG 51 2HH1 ARG 51 3.234 -5.884 11.198 403 HH21 ARG 51 1HH2 ARG 51 5.983 -7.919 10.470 404 HH22 ARG 51 2HH2 ARG 51 4.997 -7.249 11.726 405 H PHE 52 H PHE 52 5.228 -3.307 5.308 406 HA PHE 52 HA PHE 52 6.552 -3.483 2.764 407 HB2 PHE 52 1HB PHE 52 7.032 -1.969 5.306 408 HB3 PHE 52 2HB PHE 52 8.303 -2.059 4.091 409 HD1 PHE 52 2HD PHE 52 4.918 -0.837 4.816 410 HD2 PHE 52 1HD PHE 52 8.135 -0.867 2.029 411 HE1 PHE 52 2HE PHE 52 3.868 1.019 3.589 412 HE2 PHE 52 1HE PHE 52 7.090 0.989 0.797 413 HZ PHE 52 HZ PHE 52 4.953 1.934 1.576 414 HA PRO 53 HA PRO 53 9.457 -6.670 3.575 415 HB2 PRO 53 1HB PRO 53 11.618 -5.784 2.191 416 HB3 PRO 53 2HB PRO 53 10.165 -6.414 1.405 417 HG2 PRO 53 1HG PRO 53 10.986 -3.573 1.869 418 HG3 PRO 53 2HG PRO 53 10.279 -4.311 0.420 419 HD2 PRO 53 1HD PRO 53 8.815 -2.869 2.183 420 HD3 PRO 53 2HD PRO 53 8.139 -4.235 1.272 421 H GLN 54 H GLN 54 10.594 -7.103 5.352 422 HA GLN 54 HA GLN 54 11.744 -5.003 6.931 423 HB2 GLN 54 1HB GLN 54 11.882 -8.001 7.298 424 HB3 GLN 54 2HB GLN 54 12.335 -6.798 8.498 425 HG2 GLN 54 1HG GLN 54 9.853 -5.985 8.086 426 HG3 GLN 54 2HG GLN 54 9.649 -7.665 7.595 427 HE21 GLN 54 1HE2 GLN 54 9.138 -5.735 10.069 428 HE22 GLN 54 2HE2 GLN 54 9.424 -6.801 11.399 429 H SER 55 H SER 55 14.013 -5.704 7.976 430 HA SER 55 HA SER 55 15.946 -5.176 6.025 431 HB2 SER 55 1HB SER 55 17.600 -5.710 7.799 432 HB3 SER 55 2HB SER 55 16.320 -4.641 8.373 433 HG SER 55 HG SER 55 15.355 -6.390 9.388 434 H GLY 56 H GLY 56 14.798 -8.206 7.389 435 HA2 GLY 56 1HA GLY 56 16.742 -9.687 5.753 436 HA3 GLY 56 2HA GLY 56 15.810 -10.352 7.086 437 H ALA 57 H ALA 57 14.489 -8.369 4.500 438 HA ALA 57 HA ALA 57 12.656 -10.531 3.829 439 HB1 ALA 57 1HB ALA 57 11.943 -8.119 4.224 440 HB2 ALA 57 2HB ALA 57 12.643 -7.771 2.642 441 HB3 ALA 57 3HB ALA 57 11.309 -8.916 2.783 442 HA PRO 58 HA PRO 58 14.740 -11.766 0.159 443 HB2 PRO 58 1HB PRO 58 12.633 -12.697 -1.278 444 HB3 PRO 58 2HB PRO 58 13.301 -13.557 0.115 445 HG2 PRO 58 1HG PRO 58 10.893 -11.785 -0.042 446 HG3 PRO 58 2HG PRO 58 11.089 -13.335 0.797 447 HD2 PRO 58 1HD PRO 58 11.213 -10.956 2.084 448 HD3 PRO 58 2HD PRO 58 12.158 -12.369 2.597 449 H ASP 59 H ASP 59 11.994 -9.589 -0.049 450 HA ASP 59 HA ASP 59 13.196 -8.399 -2.456 451 HB2 ASP 59 1HB ASP 59 10.244 -8.848 -1.966 452 HB3 ASP 59 2HB ASP 59 10.918 -7.937 -3.315 453 HA PRO 60 HA PRO 60 12.856 -5.117 0.703 454 HB2 PRO 60 1HB PRO 60 14.985 -3.716 -0.232 455 HB3 PRO 60 2HB PRO 60 15.148 -5.092 0.865 456 HG2 PRO 60 1HG PRO 60 15.487 -4.988 -2.108 457 HG3 PRO 60 2HG PRO 60 16.482 -5.817 -0.896 458 HD2 PRO 60 1HD PRO 60 14.641 -7.111 -2.401 459 HD3 PRO 60 2HD PRO 60 15.030 -7.600 -0.739 460 H ASN 61 H ASN 61 12.298 -5.318 -2.575 461 HA ASN 61 HA ASN 61 11.502 -2.484 -2.719 462 HB2 ASN 61 1HB ASN 61 11.619 -3.032 -5.298 463 HB3 ASN 61 2HB ASN 61 13.072 -2.595 -4.405 464 HD21 ASN 61 1HD2 ASN 61 14.693 -3.742 -5.163 465 HD22 ASN 61 2HD2 ASN 61 14.673 -5.439 -5.487 466 H CYS 62 H CYS 62 10.193 -5.256 -2.021 467 HA CYS 62 HA CYS 62 7.756 -4.759 -3.598 468 HB2 CYS 62 1HB CYS 62 8.936 -6.864 -4.267 469 HB3 CYS 62 2HB CYS 62 8.701 -7.463 -2.629 470 HG CYS 62 HG CYS 62 5.819 -6.467 -3.882 471 H VAL 63 H VAL 63 5.811 -4.845 -2.523 472 HA VAL 63 HA VAL 63 5.964 -5.185 0.403 473 HB VAL 63 HB VAL 63 4.326 -3.455 0.702 474 HG11 VAL 63 1HG1 VAL 63 6.234 -2.264 0.763 475 HG12 VAL 63 2HG1 VAL 63 6.808 -2.909 -0.776 476 HG13 VAL 63 3HG1 VAL 63 5.639 -1.588 -0.753 477 HG21 VAL 63 1HG2 VAL 63 3.733 -3.983 -2.036 478 HG22 VAL 63 2HG2 VAL 63 2.833 -3.001 -0.879 479 HG23 VAL 63 3HG2 VAL 63 4.107 -2.269 -1.855 480 H THR 64 H THR 64 4.257 -6.205 1.431 481 HA THR 64 HA THR 64 2.511 -7.759 -0.343 482 HB THR 64 HB THR 64 3.289 -8.207 2.543 483 HG1 THR 64 1HG THR 64 4.775 -9.444 1.691 484 HG21 THR 64 1HG2 THR 64 2.107 -10.514 1.777 485 HG22 THR 64 2HG2 THR 64 1.123 -9.346 0.895 486 HG23 THR 64 3HG2 THR 64 1.273 -9.228 2.648 487 H VAL 65 H VAL 65 0.629 -6.751 -0.687 488 HA VAL 65 HA VAL 65 -0.661 -5.325 1.527 489 HB VAL 65 HB VAL 65 -1.368 -5.335 -1.411 490 HG11 VAL 65 1HG1 VAL 65 -3.051 -3.838 -0.978 491 HG12 VAL 65 2HG1 VAL 65 -3.133 -4.842 0.471 492 HG13 VAL 65 3HG1 VAL 65 -2.317 -3.279 0.525 493 HG21 VAL 65 1HG2 VAL 65 -0.477 -3.000 -1.334 494 HG22 VAL 65 2HG2 VAL 65 0.155 -3.352 0.274 495 HG23 VAL 65 3HG2 VAL 65 0.746 -4.254 -1.122 496 H THR 66 H THR 66 -2.259 -6.248 2.614 497 HA THR 66 HA THR 66 -3.529 -8.647 1.509 498 HB THR 66 HB THR 66 -3.797 -7.611 4.331 499 HG1 THR 66 1HG THR 66 -1.993 -9.641 3.511 500 HG21 THR 66 1HG2 THR 66 -4.242 -10.309 3.052 501 HG22 THR 66 2HG2 THR 66 -5.466 -9.242 3.741 502 HG23 THR 66 3HG2 THR 66 -4.276 -10.014 4.789 503 H GLY 67 H GLY 67 -5.842 -8.947 1.757 504 HA2 GLY 67 1HA GLY 67 -7.927 -7.686 2.493 505 HA3 GLY 67 2HA GLY 67 -7.282 -6.383 1.507 506 H LEU 68 H LEU 68 -9.796 -7.345 1.022 507 HA LEU 68 HA LEU 68 -10.169 -9.428 -0.716 508 HB2 LEU 68 1HB LEU 68 -11.457 -6.719 -0.595 509 HB3 LEU 68 2HB LEU 68 -11.977 -7.943 -1.751 510 HG LEU 68 HG LEU 68 -13.455 -7.931 0.156 511 HD11 LEU 68 1HD1 LEU 68 -12.710 -10.096 -0.970 512 HD12 LEU 68 2HD1 LEU 68 -13.483 -10.226 0.610 513 HD13 LEU 68 3HD1 LEU 68 -11.730 -10.367 0.472 514 HD21 LEU 68 1HD2 LEU 68 -12.754 -8.267 2.390 515 HD22 LEU 68 2HD2 LEU 68 -11.712 -7.005 1.732 516 HD23 LEU 68 3HD2 LEU 68 -11.107 -8.655 1.893 517 HA PRO 69 HA PRO 69 -8.062 -8.548 -4.466 518 HB2 PRO 69 1HB PRO 69 -9.729 -9.693 -6.278 519 HB3 PRO 69 2HB PRO 69 -8.714 -10.634 -5.178 520 HG2 PRO 69 1HG PRO 69 -11.619 -9.947 -4.953 521 HG3 PRO 69 2HG PRO 69 -10.805 -11.489 -4.629 522 HD2 PRO 69 1HD PRO 69 -11.527 -9.781 -2.656 523 HD3 PRO 69 2HD PRO 69 -10.091 -10.819 -2.543 524 H GLU 70 H GLU 70 -11.267 -7.387 -3.930 525 HA GLU 70 HA GLU 70 -11.324 -5.786 -6.350 526 HB2 GLU 70 1HB GLU 70 -13.508 -5.017 -5.538 527 HB3 GLU 70 2HB GLU 70 -13.407 -6.773 -5.550 528 HG2 GLU 70 1HG GLU 70 -13.200 -6.879 -3.206 529 HG3 GLU 70 2HG GLU 70 -12.893 -5.147 -3.080 530 H ASN 71 H ASN 71 -10.492 -5.450 -3.003 531 HA ASN 71 HA ASN 71 -10.439 -2.539 -3.160 532 HB2 ASN 71 1HB ASN 71 -10.102 -4.534 -0.943 533 HB3 ASN 71 2HB ASN 71 -9.542 -2.878 -0.732 534 HD21 ASN 71 1HD2 ASN 71 -11.812 -4.584 0.376 535 HD22 ASN 71 2HD2 ASN 71 -13.196 -3.559 0.234 536 H VAL 72 H VAL 72 -8.224 -5.270 -2.787 537 HA VAL 72 HA VAL 72 -5.846 -3.925 -2.354 538 HB VAL 72 HB VAL 72 -6.311 -6.443 -3.955 539 HG11 VAL 72 1HG1 VAL 72 -3.715 -6.263 -2.740 540 HG12 VAL 72 2HG1 VAL 72 -4.143 -6.540 -4.430 541 HG13 VAL 72 3HG1 VAL 72 -3.980 -4.893 -3.819 542 HG21 VAL 72 1HG2 VAL 72 -5.123 -6.421 -1.235 543 HG22 VAL 72 2HG2 VAL 72 -6.857 -6.135 -1.376 544 HG23 VAL 72 3HG2 VAL 72 -6.154 -7.623 -2.010 545 H GLU 73 H GLU 73 -7.283 -4.845 -5.482 546 HA GLU 73 HA GLU 73 -5.346 -3.853 -7.175 547 HB2 GLU 73 1HB GLU 73 -7.118 -3.644 -8.864 548 HB3 GLU 73 2HB GLU 73 -7.249 -5.153 -7.970 549 HG2 GLU 73 1HG GLU 73 -8.947 -3.934 -6.507 550 HG3 GLU 73 2HG GLU 73 -8.970 -2.709 -7.775 551 H GLU 74 H GLU 74 -8.096 -2.121 -5.749 552 HA GLU 74 HA GLU 74 -7.636 0.346 -7.014 553 HB2 GLU 74 1HB GLU 74 -8.951 -0.267 -4.363 554 HB3 GLU 74 2HB GLU 74 -9.004 1.300 -5.159 555 HG2 GLU 74 1HG GLU 74 -10.030 0.076 -7.140 556 HG3 GLU 74 2HG GLU 74 -10.252 -1.280 -6.036 557 H ALA 75 H ALA 75 -6.368 -1.050 -4.043 558 HA ALA 75 HA ALA 75 -5.137 1.275 -3.028 559 HB1 ALA 75 1HB ALA 75 -5.116 -1.580 -2.439 560 HB2 ALA 75 2HB ALA 75 -3.576 -0.786 -2.108 561 HB3 ALA 75 3HB ALA 75 -5.054 -0.195 -1.348 562 H ILE 76 H ILE 76 -3.856 -1.382 -5.017 563 HA ILE 76 HA ILE 76 -1.218 -0.561 -5.201 564 HB ILE 76 HB ILE 76 -2.862 -1.883 -7.363 565 HG12 ILE 76 1HG1 ILE 76 -0.990 -3.267 -5.462 566 HG13 ILE 76 2HG1 ILE 76 -2.661 -2.953 -5.005 567 HG21 ILE 76 1HG2 ILE 76 0.031 -2.395 -7.138 568 HG22 ILE 76 2HG2 ILE 76 -0.986 -2.227 -8.568 569 HG23 ILE 76 3HG2 ILE 76 -0.427 -0.791 -7.710 570 HD11 ILE 76 1HD1 ILE 76 -3.014 -4.973 -5.899 571 HD12 ILE 76 2HD1 ILE 76 -3.009 -4.092 -7.427 572 HD13 ILE 76 3HD1 ILE 76 -1.548 -4.913 -6.878 573 H ASP 77 H ASP 77 -3.896 0.231 -7.415 574 HA ASP 77 HA ASP 77 -2.561 1.828 -9.211 575 HB2 ASP 77 1HB ASP 77 -5.073 1.114 -9.078 576 HB3 ASP 77 2HB ASP 77 -5.277 2.651 -8.242 577 H HIS 78 H HIS 78 -3.616 2.606 -5.962 578 HA HIS 78 HA HIS 78 -3.041 5.415 -6.210 579 HB2 HIS 78 1HB HIS 78 -4.771 4.723 -4.667 580 HB3 HIS 78 2HB HIS 78 -3.641 3.685 -3.804 581 HD1 HIS 78 1HD HIS 78 -5.180 6.875 -3.542 582 HD2 HIS 78 2HD HIS 78 -1.397 5.388 -2.683 583 HE1 HIS 78 1HE HIS 78 -4.160 8.521 -1.938 584 H ILE 79 H ILE 79 -1.384 2.553 -5.058 585 HA ILE 79 HA ILE 79 0.721 3.861 -3.697 586 HB ILE 79 HB ILE 79 0.544 1.118 -4.933 587 HG12 ILE 79 1HG1 ILE 79 0.536 2.061 -2.057 588 HG13 ILE 79 2HG1 ILE 79 -0.881 1.550 -2.968 589 HG21 ILE 79 1HG2 ILE 79 2.758 2.209 -3.202 590 HG22 ILE 79 2HG2 ILE 79 2.616 0.559 -3.806 591 HG23 ILE 79 3HG2 ILE 79 2.878 1.890 -4.932 592 HD11 ILE 79 1HD1 ILE 79 0.058 -0.692 -3.166 593 HD12 ILE 79 2HD1 ILE 79 1.476 -0.177 -2.252 594 HD13 ILE 79 3HD1 ILE 79 -0.109 -0.202 -1.480 595 H LEU 80 H LEU 80 0.708 2.288 -6.902 596 HA LEU 80 HA LEU 80 3.241 3.141 -7.699 597 HB2 LEU 80 1HB LEU 80 0.798 2.196 -9.098 598 HB3 LEU 80 2HB LEU 80 2.055 2.962 -10.067 599 HG LEU 80 HG LEU 80 2.561 0.597 -8.270 600 HD11 LEU 80 1HD1 LEU 80 0.977 0.553 -10.522 601 HD12 LEU 80 2HD1 LEU 80 1.829 -0.823 -9.822 602 HD13 LEU 80 3HD1 LEU 80 2.568 0.097 -11.133 603 HD21 LEU 80 1HD2 LEU 80 4.166 1.403 -10.658 604 HD22 LEU 80 2HD2 LEU 80 4.654 0.478 -9.238 605 HD23 LEU 80 3HD2 LEU 80 4.409 2.221 -9.115 606 H ASN 81 H ASN 81 0.171 4.794 -7.711 607 HA ASN 81 HA ASN 81 0.710 6.842 -9.529 608 HB2 ASN 81 1HB ASN 81 -1.514 6.721 -8.828 609 HB3 ASN 81 2HB ASN 81 -1.075 6.630 -7.124 610 HD21 ASN 81 1HD2 ASN 81 -2.603 8.298 -6.747 611 HD22 ASN 81 2HD2 ASN 81 -2.205 9.947 -7.076 612 H LEU 82 H LEU 82 1.350 6.659 -6.044 613 HA LEU 82 HA LEU 82 2.539 9.263 -5.932 614 HB2 LEU 82 1HB LEU 82 2.793 7.013 -3.946 615 HB3 LEU 82 2HB LEU 82 3.085 8.726 -3.654 616 HG LEU 82 HG LEU 82 0.385 7.585 -4.355 617 HD11 LEU 82 1HD1 LEU 82 1.234 6.667 -2.225 618 HD12 LEU 82 2HD1 LEU 82 -0.166 7.718 -2.013 619 HD13 LEU 82 3HD1 LEU 82 1.449 8.314 -1.630 620 HD21 LEU 82 1HD2 LEU 82 0.584 9.925 -4.876 621 HD22 LEU 82 2HD2 LEU 82 1.291 10.259 -3.296 622 HD23 LEU 82 3HD2 LEU 82 -0.392 9.746 -3.418 623 H GLU 83 H GLU 83 3.708 5.970 -6.286 624 HA GLU 83 HA GLU 83 6.393 6.259 -5.762 625 HB2 GLU 83 1HB GLU 83 5.663 4.083 -6.237 626 HB3 GLU 83 2HB GLU 83 4.904 4.567 -7.746 627 HG2 GLU 83 1HG GLU 83 7.845 4.872 -7.503 628 HG3 GLU 83 2HG GLU 83 7.185 3.248 -7.689 629 H GLU 84 H GLU 84 4.642 7.084 -8.721 630 HA GLU 84 HA GLU 84 6.993 7.874 -10.150 631 HB2 GLU 84 1HB GLU 84 4.741 7.095 -11.121 632 HB3 GLU 84 2HB GLU 84 4.188 8.735 -10.816 633 HG2 GLU 84 1HG GLU 84 5.543 9.642 -12.430 634 HG3 GLU 84 2HG GLU 84 6.703 8.318 -12.353 635 H GLU 85 H GLU 85 4.447 9.563 -8.370 636 HA GLU 85 HA GLU 85 5.198 12.186 -9.005 637 HB2 GLU 85 1HB GLU 85 3.070 11.775 -7.978 638 HB3 GLU 85 2HB GLU 85 3.827 11.048 -6.569 639 HG2 GLU 85 1HG GLU 85 4.963 13.429 -6.403 640 HG3 GLU 85 2HG GLU 85 3.522 13.903 -7.300 641 H TYR 86 H TYR 86 6.322 9.986 -6.492 642 HA TYR 86 HA TYR 86 7.956 11.938 -5.182 643 HB2 TYR 86 1HB TYR 86 7.787 8.932 -5.004 644 HB3 TYR 86 2HB TYR 86 8.950 9.868 -4.072 645 HD1 TYR 86 2HD TYR 86 7.398 12.200 -3.250 646 HD2 TYR 86 1HD TYR 86 6.237 8.113 -3.482 647 HE1 TYR 86 2HE TYR 86 5.699 12.589 -1.514 648 HE2 TYR 86 1HE TYR 86 4.535 8.491 -1.748 649 HH TYR 86 HH TYR 86 4.207 11.637 -0.151 650 H LEU 87 H LEU 87 8.760 9.045 -7.112 651 HA LEU 87 HA LEU 87 11.484 9.414 -7.307 652 HB2 LEU 87 1HB LEU 87 9.532 8.263 -9.286 653 HB3 LEU 87 2HB LEU 87 11.279 8.200 -9.513 654 HG LEU 87 HG LEU 87 9.814 6.964 -7.184 655 HD11 LEU 87 1HD1 LEU 87 9.265 5.939 -9.391 656 HD12 LEU 87 2HD1 LEU 87 10.076 4.852 -8.264 657 HD13 LEU 87 3HD1 LEU 87 10.980 5.580 -9.591 658 HD21 LEU 87 1HD2 LEU 87 12.579 7.510 -7.715 659 HD22 LEU 87 2HD2 LEU 87 12.311 5.768 -7.644 660 HD23 LEU 87 3HD2 LEU 87 11.836 6.790 -6.286 661 H ALA 88 H ALA 88 8.925 10.844 -9.278 662 HA ALA 88 HA ALA 88 10.416 12.021 -11.282 663 HB1 ALA 88 1HB ALA 88 8.008 13.227 -9.926 664 HB2 ALA 88 2HB ALA 88 8.604 13.600 -11.545 665 HB3 ALA 88 3HB ALA 88 7.953 11.999 -11.191 666 H ASP 89 H ASP 89 10.279 12.822 -7.930 667 HA ASP 89 HA ASP 89 11.470 15.449 -8.329 668 HB2 ASP 89 1HB ASP 89 9.734 15.116 -6.586 669 HB3 ASP 89 2HB ASP 89 10.818 14.004 -5.753 670 H SER 90 H SER 90 13.103 13.530 -9.352 671 HA SER 90 HA SER 90 15.202 13.153 -7.326 672 HB2 SER 90 1HB SER 90 14.495 11.073 -8.370 673 HB3 SER 90 2HB SER 90 14.765 11.752 -9.975 674 HG SER 90 HG SER 90 16.795 11.270 -9.793 675 H GLY 91 H GLY 91 16.120 15.207 -7.426 676 HA2 GLY 91 1HA GLY 91 18.301 15.789 -8.755 677 HA3 GLY 91 2HA GLY 91 17.130 16.117 -10.023 678 HA PRO 92 HA PRO 92 16.561 19.368 -6.442 679 HB2 PRO 92 1HB PRO 92 18.785 19.750 -4.933 680 HB3 PRO 92 2HB PRO 92 17.516 18.600 -4.499 681 HG2 PRO 92 1HG PRO 92 20.148 18.100 -5.834 682 HG3 PRO 92 2HG PRO 92 19.353 17.176 -4.546 683 HD2 PRO 92 1HD PRO 92 19.300 16.400 -7.140 684 HD3 PRO 92 2HD PRO 92 17.962 16.077 -6.019 685 H SER 93 H SER 93 18.798 18.887 -8.811 686 HA SER 93 HA SER 93 19.194 21.757 -9.149 687 HB2 SER 93 1HB SER 93 21.429 19.742 -8.934 688 HB3 SER 93 2HB SER 93 21.636 21.282 -9.768 689 HG SER 93 HG SER 93 21.661 20.764 -7.125 690 H SER 94 H SER 94 18.490 22.208 -11.117 691 HA SER 94 HA SER 94 17.680 20.562 -13.087 692 HB2 SER 94 1HB SER 94 19.004 23.263 -13.344 693 HB3 SER 94 2HB SER 94 18.277 22.428 -14.717 694 HG SER 94 HG SER 94 17.070 23.920 -12.898 695 H GLY 95 H GLY 95 18.847 18.745 -13.530 696 HA2 GLY 95 1HA GLY 95 21.666 18.969 -14.235 697 HA3 GLY 95 2HA GLY 95 20.748 17.480 -14.065 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -38.731 6.563 -4.313 2 HA2 GLY 1 1HA GLY 1 -36.811 7.050 -2.341 3 HA3 GLY 1 2HA GLY 1 -37.301 5.368 -2.193 4 H SER 2 H SER 2 -34.870 7.048 -3.275 5 HA SER 2 HA SER 2 -34.556 5.517 -5.772 6 HB2 SER 2 1HB SER 2 -33.058 8.020 -4.967 7 HB3 SER 2 2HB SER 2 -33.021 7.218 -6.537 8 HG SER 2 HG SER 2 -34.632 8.463 -7.022 9 H SER 3 H SER 3 -32.471 4.617 -6.229 10 HA SER 3 HA SER 3 -31.351 3.178 -4.124 11 HB2 SER 3 1HB SER 3 -30.368 3.815 -6.899 12 HB3 SER 3 2HB SER 3 -29.407 2.839 -5.788 13 HG SER 3 HG SER 3 -31.475 2.089 -7.295 14 H GLY 4 H GLY 4 -30.022 3.738 -2.536 15 HA2 GLY 4 1HA GLY 4 -27.896 5.659 -2.986 16 HA3 GLY 4 2HA GLY 4 -29.133 6.179 -1.851 17 H SER 5 H SER 5 -29.354 5.099 0.138 18 HA SER 5 HA SER 5 -27.191 4.537 1.601 19 HB2 SER 5 1HB SER 5 -29.645 4.515 2.335 20 HB3 SER 5 2HB SER 5 -29.641 2.804 1.911 21 HG SER 5 HG SER 5 -28.981 3.712 4.184 22 H SER 6 H SER 6 -25.513 3.236 1.347 23 HA SER 6 HA SER 6 -25.976 0.497 0.382 24 HB2 SER 6 1HB SER 6 -23.655 2.249 -0.461 25 HB3 SER 6 2HB SER 6 -23.973 0.599 -0.995 26 HG SER 6 HG SER 6 -24.773 1.917 -2.566 27 H GLY 7 H GLY 7 -25.751 -0.438 2.383 28 HA2 GLY 7 1HA GLY 7 -23.913 0.215 4.362 29 HA3 GLY 7 2HA GLY 7 -24.625 -1.377 4.148 30 H ARG 8 H ARG 8 -21.779 0.367 4.151 31 HA ARG 8 HA ARG 8 -20.343 -1.327 2.292 32 HB2 ARG 8 1HB ARG 8 -19.706 1.078 3.925 33 HB3 ARG 8 2HB ARG 8 -18.372 0.025 3.475 34 HG2 ARG 8 1HG ARG 8 -20.295 0.983 1.400 35 HG3 ARG 8 2HG ARG 8 -18.987 2.026 1.960 36 HD2 ARG 8 1HD ARG 8 -17.333 0.527 1.211 37 HD3 ARG 8 2HD ARG 8 -18.497 -0.783 1.015 38 HE ARG 8 HE ARG 8 -17.902 1.301 -0.868 39 HH11 ARG 8 1HH1 ARG 8 -20.305 -0.979 0.204 40 HH12 ARG 8 2HH1 ARG 8 -21.120 -1.036 -1.323 41 HH21 ARG 8 1HH2 ARG 8 -18.967 1.235 -2.883 42 HH22 ARG 8 2HH2 ARG 8 -20.358 0.223 -3.079 43 H ILE 9 H ILE 9 -18.266 -2.355 3.046 44 HA ILE 9 HA ILE 9 -18.210 -3.225 5.807 45 HB ILE 9 HB ILE 9 -18.076 -5.672 5.018 46 HG12 ILE 9 1HG1 ILE 9 -19.655 -6.049 3.039 47 HG13 ILE 9 2HG1 ILE 9 -19.420 -4.345 2.666 48 HG21 ILE 9 1HG2 ILE 9 -20.069 -4.176 6.112 49 HG22 ILE 9 2HG2 ILE 9 -20.874 -4.864 4.702 50 HG23 ILE 9 3HG2 ILE 9 -20.126 -5.926 5.895 51 HD11 ILE 9 1HD1 ILE 9 -16.960 -5.901 3.061 52 HD12 ILE 9 2HD1 ILE 9 -17.926 -6.332 1.649 53 HD13 ILE 9 3HD1 ILE 9 -17.355 -4.676 1.856 54 H VAL 10 H VAL 10 -16.366 -4.897 6.081 55 HA VAL 10 HA VAL 10 -14.081 -3.920 4.511 56 HB VAL 10 HB VAL 10 -13.995 -5.356 7.164 57 HG11 VAL 10 1HG1 VAL 10 -12.003 -4.672 5.270 58 HG12 VAL 10 2HG1 VAL 10 -11.780 -3.639 6.683 59 HG13 VAL 10 3HG1 VAL 10 -11.797 -5.394 6.865 60 HG21 VAL 10 1HG2 VAL 10 -13.335 -2.894 7.864 61 HG22 VAL 10 2HG2 VAL 10 -14.366 -2.483 6.493 62 HG23 VAL 10 3HG2 VAL 10 -15.017 -3.425 7.834 63 H GLY 11 H GLY 11 -15.982 -6.699 5.165 64 HA2 GLY 11 1HA GLY 11 -15.895 -8.613 3.748 65 HA3 GLY 11 2HA GLY 11 -14.191 -8.288 3.465 66 H GLU 12 H GLU 12 -14.294 -10.720 3.929 67 HA GLU 12 HA GLU 12 -14.151 -11.211 6.826 68 HB2 GLU 12 1HB GLU 12 -14.833 -12.937 4.483 69 HB3 GLU 12 2HB GLU 12 -14.131 -13.685 5.911 70 HG2 GLU 12 1HG GLU 12 -15.989 -12.426 7.191 71 HG3 GLU 12 2HG GLU 12 -16.754 -12.291 5.609 72 H LEU 13 H LEU 13 -12.356 -12.184 7.735 73 HA LEU 13 HA LEU 13 -9.856 -11.531 6.819 74 HB2 LEU 13 1HB LEU 13 -10.745 -12.590 9.079 75 HB3 LEU 13 2HB LEU 13 -10.132 -14.069 8.343 76 HG LEU 13 HG LEU 13 -8.345 -11.685 8.514 77 HD11 LEU 13 1HD1 LEU 13 -8.993 -13.547 10.792 78 HD12 LEU 13 2HD1 LEU 13 -9.224 -11.800 10.746 79 HD13 LEU 13 3HD1 LEU 13 -7.594 -12.474 10.741 80 HD21 LEU 13 1HD2 LEU 13 -7.899 -14.663 8.698 81 HD22 LEU 13 2HD2 LEU 13 -6.640 -13.428 8.731 82 HD23 LEU 13 3HD2 LEU 13 -7.617 -13.653 7.279 83 H GLU 14 H GLU 14 -10.984 -14.913 6.868 84 HA GLU 14 HA GLU 14 -9.085 -16.030 5.262 85 HB2 GLU 14 1HB GLU 14 -11.995 -16.662 5.631 86 HB3 GLU 14 2HB GLU 14 -11.025 -17.591 4.497 87 HG2 GLU 14 1HG GLU 14 -9.481 -18.172 6.313 88 HG3 GLU 14 2HG GLU 14 -10.495 -17.276 7.443 89 H GLN 15 H GLN 15 -12.043 -14.391 4.207 90 HA GLN 15 HA GLN 15 -11.867 -14.891 1.478 91 HB2 GLN 15 1HB GLN 15 -13.083 -12.702 3.112 92 HB3 GLN 15 2HB GLN 15 -13.029 -12.534 1.363 93 HG2 GLN 15 1HG GLN 15 -14.196 -14.942 2.721 94 HG3 GLN 15 2HG GLN 15 -15.142 -13.502 2.347 95 HE21 GLN 15 1HE2 GLN 15 -14.925 -12.770 0.017 96 HE22 GLN 15 2HE2 GLN 15 -14.991 -14.008 -1.185 97 H MET 16 H MET 16 -10.364 -12.344 3.416 98 HA MET 16 HA MET 16 -9.346 -10.671 1.525 99 HB2 MET 16 1HB MET 16 -7.901 -11.699 3.973 100 HB3 MET 16 2HB MET 16 -7.446 -10.267 3.060 101 HG2 MET 16 1HG MET 16 -9.864 -9.487 3.559 102 HG3 MET 16 2HG MET 16 -9.809 -10.710 4.827 103 HE1 MET 16 1HE MET 16 -9.941 -8.918 7.045 104 HE2 MET 16 2HE MET 16 -9.403 -7.281 6.671 105 HE3 MET 16 3HE MET 16 -10.555 -8.094 5.611 106 H VAL 17 H VAL 17 -7.250 -10.504 0.495 107 HA VAL 17 HA VAL 17 -5.887 -13.059 0.027 108 HB VAL 17 HB VAL 17 -5.757 -12.568 -2.401 109 HG11 VAL 17 1HG1 VAL 17 -8.656 -12.638 -2.036 110 HG12 VAL 17 2HG1 VAL 17 -7.572 -13.832 -2.754 111 HG13 VAL 17 3HG1 VAL 17 -7.780 -13.768 -1.003 112 HG21 VAL 17 1HG2 VAL 17 -7.103 -10.897 -3.424 113 HG22 VAL 17 2HG2 VAL 17 -7.911 -10.523 -1.901 114 HG23 VAL 17 3HG2 VAL 17 -6.211 -10.108 -2.122 115 H SER 18 H SER 18 -3.711 -12.908 -0.313 116 HA SER 18 HA SER 18 -2.539 -10.254 0.098 117 HB2 SER 18 1HB SER 18 -0.635 -11.324 0.977 118 HB3 SER 18 2HB SER 18 -1.980 -12.301 1.566 119 HG SER 18 HG SER 18 0.062 -13.187 0.280 120 H GLU 19 H GLU 19 -1.197 -9.299 -1.344 121 HA GLU 19 HA GLU 19 -0.393 -10.812 -3.725 122 HB2 GLU 19 1HB GLU 19 -2.102 -8.377 -3.621 123 HB3 GLU 19 2HB GLU 19 -0.914 -8.482 -4.912 124 HG2 GLU 19 1HG GLU 19 -2.861 -10.695 -4.364 125 HG3 GLU 19 2HG GLU 19 -3.261 -9.325 -5.399 126 H ASP 20 H ASP 20 1.332 -9.755 -4.958 127 HA ASP 20 HA ASP 20 3.095 -8.225 -3.169 128 HB2 ASP 20 1HB ASP 20 4.804 -9.012 -5.046 129 HB3 ASP 20 2HB ASP 20 4.354 -10.066 -3.708 130 H VAL 21 H VAL 21 3.476 -6.164 -3.614 131 HA VAL 21 HA VAL 21 2.960 -5.201 -6.353 132 HB VAL 21 HB VAL 21 2.908 -3.349 -4.007 133 HG11 VAL 21 1HG1 VAL 21 2.661 -2.927 -6.651 134 HG12 VAL 21 2HG1 VAL 21 0.968 -3.183 -6.224 135 HG13 VAL 21 3HG1 VAL 21 1.897 -1.913 -5.427 136 HG21 VAL 21 1HG2 VAL 21 0.818 -5.368 -4.718 137 HG22 VAL 21 2HG2 VAL 21 1.414 -4.889 -3.129 138 HG23 VAL 21 3HG2 VAL 21 0.355 -3.809 -4.036 139 HA PRO 22 HA PRO 22 7.324 -4.303 -6.319 140 HB2 PRO 22 1HB PRO 22 7.394 -3.184 -8.792 141 HB3 PRO 22 2HB PRO 22 7.312 -4.930 -8.529 142 HG2 PRO 22 1HG PRO 22 5.115 -3.009 -9.198 143 HG3 PRO 22 2HG PRO 22 5.422 -4.629 -9.851 144 HD2 PRO 22 1HD PRO 22 3.563 -4.157 -7.940 145 HD3 PRO 22 2HD PRO 22 4.471 -5.679 -8.033 146 H LEU 23 H LEU 23 7.513 -2.689 -4.780 147 HA LEU 23 HA LEU 23 7.049 0.057 -5.742 148 HB2 LEU 23 1HB LEU 23 5.534 -0.610 -3.911 149 HB3 LEU 23 2HB LEU 23 6.939 -0.929 -2.896 150 HG LEU 23 HG LEU 23 7.528 1.526 -3.202 151 HD11 LEU 23 1HD1 LEU 23 4.891 1.399 -4.560 152 HD12 LEU 23 2HD1 LEU 23 6.305 2.389 -4.920 153 HD13 LEU 23 3HD1 LEU 23 5.251 2.814 -3.571 154 HD21 LEU 23 1HD2 LEU 23 4.932 1.429 -1.801 155 HD22 LEU 23 2HD2 LEU 23 6.510 1.975 -1.235 156 HD23 LEU 23 3HD2 LEU 23 6.140 0.251 -1.291 157 H ASP 24 H ASP 24 8.862 1.145 -6.067 158 HA ASP 24 HA ASP 24 11.418 0.236 -5.463 159 HB2 ASP 24 1HB ASP 24 10.631 2.102 -7.093 160 HB3 ASP 24 2HB ASP 24 10.820 3.170 -5.705 161 H HIS 25 H HIS 25 12.898 0.679 -3.857 162 HA HIS 25 HA HIS 25 11.832 1.199 -1.264 163 HB2 HIS 25 1HB HIS 25 14.036 0.777 -0.444 164 HB3 HIS 25 2HB HIS 25 13.761 -0.344 -1.774 165 HD1 HIS 25 1HD HIS 25 14.901 0.389 -4.114 166 HD2 HIS 25 2HD HIS 25 16.269 2.315 -0.697 167 HE1 HIS 25 1HE HIS 25 17.103 1.419 -4.759 168 H ARG 26 H ARG 26 13.010 3.190 -3.747 169 HA ARG 26 HA ARG 26 14.054 5.301 -2.125 170 HB2 ARG 26 1HB ARG 26 13.404 4.941 -5.013 171 HB3 ARG 26 2HB ARG 26 13.571 6.581 -4.400 172 HG2 ARG 26 1HG ARG 26 15.808 5.663 -3.406 173 HG3 ARG 26 2HG ARG 26 15.618 4.436 -4.659 174 HD2 ARG 26 1HD ARG 26 16.922 6.135 -5.636 175 HD3 ARG 26 2HD ARG 26 15.298 6.356 -6.285 176 HE ARG 26 HE ARG 26 15.326 7.999 -4.141 177 HH11 ARG 26 1HH1 ARG 26 17.457 7.594 -6.864 178 HH12 ARG 26 2HH1 ARG 26 17.954 9.253 -6.889 179 HH21 ARG 26 1HH2 ARG 26 15.973 10.186 -4.163 180 HH22 ARG 26 2HH2 ARG 26 17.110 10.727 -5.351 181 H VAL 27 H VAL 27 10.956 4.194 -2.657 182 HA VAL 27 HA VAL 27 9.815 6.814 -1.934 183 HB VAL 27 HB VAL 27 7.775 6.254 -3.117 184 HG11 VAL 27 1HG1 VAL 27 10.045 7.090 -4.270 185 HG12 VAL 27 2HG1 VAL 27 9.759 5.627 -5.215 186 HG13 VAL 27 3HG1 VAL 27 8.531 6.892 -5.152 187 HG21 VAL 27 1HG2 VAL 27 8.376 3.682 -2.777 188 HG22 VAL 27 2HG2 VAL 27 7.279 4.236 -4.042 189 HG23 VAL 27 3HG2 VAL 27 8.961 3.876 -4.430 190 H HIS 28 H HIS 28 10.380 3.674 -0.972 191 HA HIS 28 HA HIS 28 8.095 2.829 0.323 192 HB2 HIS 28 1HB HIS 28 11.014 2.446 0.821 193 HB3 HIS 28 2HB HIS 28 9.878 1.907 2.053 194 HD2 HIS 28 2HD HIS 28 8.505 1.351 -1.465 195 HE1 HIS 28 1HE HIS 28 10.202 -2.328 -0.206 196 HE2 HIS 28 2HE HIS 28 8.842 -1.162 -1.976 197 H ALA 29 H ALA 29 10.741 4.732 1.780 198 HA ALA 29 HA ALA 29 9.384 5.232 4.204 199 HB1 ALA 29 1HB ALA 29 11.319 6.148 4.825 200 HB2 ALA 29 2HB ALA 29 11.934 5.656 3.246 201 HB3 ALA 29 3HB ALA 29 11.306 7.287 3.478 202 H ARG 30 H ARG 30 9.731 7.139 1.234 203 HA ARG 30 HA ARG 30 8.524 9.493 2.042 204 HB2 ARG 30 1HB ARG 30 8.553 8.095 -0.627 205 HB3 ARG 30 2HB ARG 30 7.814 9.675 -0.406 206 HG2 ARG 30 1HG ARG 30 10.628 9.242 0.476 207 HG3 ARG 30 2HG ARG 30 10.273 9.469 -1.238 208 HD2 ARG 30 1HD ARG 30 10.625 11.640 -0.600 209 HD3 ARG 30 2HD ARG 30 8.885 11.514 -0.345 210 HE ARG 30 HE ARG 30 9.880 10.827 2.060 211 HH11 ARG 30 1HH1 ARG 30 10.495 13.517 -0.064 212 HH12 ARG 30 2HH1 ARG 30 10.871 14.614 1.222 213 HH21 ARG 30 1HH2 ARG 30 10.374 12.263 3.762 214 HH22 ARG 30 2HH2 ARG 30 10.803 13.900 3.398 215 H ILE 31 H ILE 31 7.065 6.439 1.131 216 HA ILE 31 HA ILE 31 4.381 7.547 1.209 217 HB ILE 31 HB ILE 31 5.277 4.686 0.841 218 HG12 ILE 31 1HG1 ILE 31 4.175 6.491 -1.297 219 HG13 ILE 31 2HG1 ILE 31 5.895 6.484 -0.922 220 HG21 ILE 31 1HG2 ILE 31 3.125 4.053 0.675 221 HG22 ILE 31 2HG2 ILE 31 2.823 5.501 1.633 222 HG23 ILE 31 3HG2 ILE 31 2.637 5.549 -0.120 223 HD11 ILE 31 1HD1 ILE 31 4.387 4.679 -2.539 224 HD12 ILE 31 2HD1 ILE 31 6.131 4.774 -2.297 225 HD13 ILE 31 3HD1 ILE 31 5.142 3.799 -1.211 226 H ILE 32 H ILE 32 6.339 5.225 3.045 227 HA ILE 32 HA ILE 32 4.480 4.405 4.914 228 HB ILE 32 HB ILE 32 7.442 4.868 5.236 229 HG12 ILE 32 1HG1 ILE 32 6.046 2.214 5.164 230 HG13 ILE 32 2HG1 ILE 32 6.366 3.073 3.661 231 HG21 ILE 32 1HG2 ILE 32 5.445 4.306 7.249 232 HG22 ILE 32 2HG2 ILE 32 6.645 3.018 7.147 233 HG23 ILE 32 3HG2 ILE 32 7.158 4.680 7.435 234 HD11 ILE 32 1HD1 ILE 32 8.770 3.124 5.080 235 HD12 ILE 32 2HD1 ILE 32 8.131 1.490 5.267 236 HD13 ILE 32 3HD1 ILE 32 8.377 2.162 3.656 237 H GLY 33 H GLY 33 6.451 7.341 4.893 238 HA2 GLY 33 1HA GLY 33 5.790 9.392 5.843 239 HA3 GLY 33 2HA GLY 33 4.602 8.534 6.813 240 H ALA 34 H ALA 34 5.603 10.104 8.414 241 HA ALA 34 HA ALA 34 8.217 9.484 9.418 242 HB1 ALA 34 1HB ALA 34 6.677 11.679 9.578 243 HB2 ALA 34 2HB ALA 34 6.336 10.955 11.151 244 HB3 ALA 34 3HB ALA 34 7.998 11.333 10.696 245 H ARG 35 H ARG 35 5.053 9.360 11.066 246 HA ARG 35 HA ARG 35 6.080 7.163 12.715 247 HB2 ARG 35 1HB ARG 35 4.924 9.379 13.581 248 HB3 ARG 35 2HB ARG 35 3.452 8.479 13.241 249 HG2 ARG 35 1HG ARG 35 3.904 8.088 15.502 250 HG3 ARG 35 2HG ARG 35 4.436 6.625 14.670 251 HD2 ARG 35 1HD ARG 35 6.149 7.129 16.202 252 HD3 ARG 35 2HD ARG 35 6.750 7.668 14.634 253 HE ARG 35 HE ARG 35 6.734 9.826 15.404 254 HH11 ARG 35 1HH1 ARG 35 4.884 7.819 17.565 255 HH12 ARG 35 2HH1 ARG 35 4.703 9.054 18.767 256 HH21 ARG 35 1HH2 ARG 35 6.503 11.460 16.979 257 HH22 ARG 35 2HH2 ARG 35 5.623 11.125 18.432 258 H GLY 36 H GLY 36 4.972 7.039 9.883 259 HA2 GLY 36 1HA GLY 36 3.938 5.298 8.749 260 HA3 GLY 36 2HA GLY 36 3.435 4.631 10.296 261 H LYS 37 H LYS 37 2.769 7.940 9.414 262 HA LYS 37 HA LYS 37 -0.076 7.415 9.638 263 HB2 LYS 37 1HB LYS 37 1.172 9.410 10.668 264 HB3 LYS 37 2HB LYS 37 1.195 10.079 9.041 265 HG2 LYS 37 1HG LYS 37 -1.150 10.257 8.968 266 HG3 LYS 37 2HG LYS 37 -1.349 9.229 10.390 267 HD2 LYS 37 1HD LYS 37 -0.740 10.903 11.851 268 HD3 LYS 37 2HD LYS 37 0.206 11.764 10.635 269 HE2 LYS 37 1HE LYS 37 -1.692 13.098 10.967 270 HE3 LYS 37 2HE LYS 37 -2.019 12.220 9.474 271 HZ1 LYS 37 1HZ LYS 37 -2.935 10.824 11.801 272 HZ2 LYS 37 2HZ LYS 37 -3.769 11.220 10.384 273 HZ3 LYS 37 3HZ LYS 37 -3.657 12.346 11.641 274 H ALA 38 H ALA 38 2.022 9.066 7.269 275 HA ALA 38 HA ALA 38 0.306 9.582 5.249 276 HB1 ALA 38 1HB ALA 38 2.444 8.566 3.848 277 HB2 ALA 38 2HB ALA 38 2.302 10.209 4.473 278 HB3 ALA 38 3HB ALA 38 3.148 8.979 5.411 279 H ILE 39 H ILE 39 1.618 6.415 6.075 280 HA ILE 39 HA ILE 39 0.359 5.119 3.825 281 HB ILE 39 HB ILE 39 2.483 4.270 4.735 282 HG12 ILE 39 1HG1 ILE 39 1.651 1.833 5.058 283 HG13 ILE 39 2HG1 ILE 39 0.052 2.501 4.752 284 HG21 ILE 39 1HG2 ILE 39 2.558 3.116 6.867 285 HG22 ILE 39 2HG2 ILE 39 2.049 4.788 7.096 286 HG23 ILE 39 3HG2 ILE 39 0.858 3.489 7.151 287 HD11 ILE 39 1HD1 ILE 39 2.210 3.140 2.825 288 HD12 ILE 39 2HD1 ILE 39 1.543 1.507 2.823 289 HD13 ILE 39 3HD1 ILE 39 0.485 2.893 2.558 290 H ARG 40 H ARG 40 -0.319 5.634 7.221 291 HA ARG 40 HA ARG 40 -2.282 3.718 7.654 292 HB2 ARG 40 1HB ARG 40 -1.253 5.274 9.358 293 HB3 ARG 40 2HB ARG 40 -2.341 6.522 8.767 294 HG2 ARG 40 1HG ARG 40 -3.524 5.733 10.554 295 HG3 ARG 40 2HG ARG 40 -4.179 4.725 9.261 296 HD2 ARG 40 1HD ARG 40 -3.726 3.193 10.949 297 HD3 ARG 40 2HD ARG 40 -2.310 3.072 9.906 298 HE ARG 40 HE ARG 40 -1.046 3.776 11.662 299 HH11 ARG 40 1HH1 ARG 40 -4.326 4.819 12.181 300 HH12 ARG 40 2HH1 ARG 40 -4.006 5.478 13.751 301 HH21 ARG 40 1HH2 ARG 40 -0.611 4.640 13.727 302 HH22 ARG 40 2HH2 ARG 40 -1.892 5.377 14.629 303 H LYS 41 H LYS 41 -2.746 7.104 6.633 304 HA LYS 41 HA LYS 41 -5.478 7.088 6.288 305 HB2 LYS 41 1HB LYS 41 -5.227 9.015 4.957 306 HB3 LYS 41 2HB LYS 41 -3.848 9.038 6.049 307 HG2 LYS 41 1HG LYS 41 -2.359 8.379 4.354 308 HG3 LYS 41 2HG LYS 41 -3.673 7.900 3.277 309 HD2 LYS 41 1HD LYS 41 -2.863 9.973 2.464 310 HD3 LYS 41 2HD LYS 41 -4.391 10.321 3.275 311 HE2 LYS 41 1HE LYS 41 -2.841 10.742 5.345 312 HE3 LYS 41 2HE LYS 41 -1.600 10.967 4.114 313 HZ1 LYS 41 1HZ LYS 41 -3.182 12.596 3.062 314 HZ2 LYS 41 2HZ LYS 41 -2.501 13.080 4.532 315 HZ3 LYS 41 3HZ LYS 41 -4.096 12.517 4.484 316 H ILE 42 H ILE 42 -3.014 5.675 4.272 317 HA ILE 42 HA ILE 42 -4.723 5.255 2.004 318 HB ILE 42 HB ILE 42 -2.058 4.014 2.697 319 HG12 ILE 42 1HG1 ILE 42 -2.734 6.231 0.752 320 HG13 ILE 42 2HG1 ILE 42 -2.058 6.484 2.357 321 HG21 ILE 42 1HG2 ILE 42 -2.358 2.626 0.995 322 HG22 ILE 42 2HG2 ILE 42 -3.963 3.297 0.712 323 HG23 ILE 42 3HG2 ILE 42 -2.559 4.003 -0.088 324 HD11 ILE 42 1HD1 ILE 42 -0.069 5.212 1.701 325 HD12 ILE 42 2HD1 ILE 42 -0.746 5.015 0.084 326 HD13 ILE 42 3HD1 ILE 42 -0.333 6.624 0.677 327 H MET 43 H MET 43 -3.457 3.211 4.619 328 HA MET 43 HA MET 43 -4.557 0.785 3.802 329 HB2 MET 43 1HB MET 43 -3.718 1.912 6.440 330 HB3 MET 43 2HB MET 43 -4.595 0.388 6.410 331 HG2 MET 43 1HG MET 43 -2.853 -0.409 4.747 332 HG3 MET 43 2HG MET 43 -1.930 1.024 5.193 333 HE1 MET 43 1HE MET 43 -1.105 1.549 7.587 334 HE2 MET 43 2HE MET 43 -0.289 0.222 8.413 335 HE3 MET 43 3HE MET 43 0.076 0.565 6.721 336 H ASP 44 H ASP 44 -5.917 3.246 5.982 337 HA ASP 44 HA ASP 44 -8.362 1.887 6.422 338 HB2 ASP 44 1HB ASP 44 -7.369 4.670 6.879 339 HB3 ASP 44 2HB ASP 44 -9.098 4.357 6.997 340 H GLU 45 H GLU 45 -7.293 4.214 4.018 341 HA GLU 45 HA GLU 45 -9.641 5.082 2.919 342 HB2 GLU 45 1HB GLU 45 -7.381 5.764 2.166 343 HB3 GLU 45 2HB GLU 45 -7.200 4.210 1.364 344 HG2 GLU 45 1HG GLU 45 -8.786 4.720 -0.257 345 HG3 GLU 45 2HG GLU 45 -9.482 6.026 0.700 346 H PHE 46 H PHE 46 -7.881 2.163 1.863 347 HA PHE 46 HA PHE 46 -10.365 1.184 0.646 348 HB2 PHE 46 1HB PHE 46 -7.632 -0.032 0.289 349 HB3 PHE 46 2HB PHE 46 -9.046 -0.200 -0.748 350 HD1 PHE 46 1HD PHE 46 -6.502 2.226 0.422 351 HD2 PHE 46 2HD PHE 46 -9.387 1.245 -2.549 352 HE1 PHE 46 1HE PHE 46 -5.689 4.082 -0.974 353 HE2 PHE 46 2HE PHE 46 -8.578 3.098 -3.951 354 HZ PHE 46 HZ PHE 46 -6.727 4.519 -3.165 355 H LYS 47 H LYS 47 -8.939 1.002 3.527 356 HA LYS 47 HA LYS 47 -9.071 -0.416 5.301 357 HB2 LYS 47 1HB LYS 47 -10.979 -2.091 3.678 358 HB3 LYS 47 2HB LYS 47 -10.902 -1.921 5.427 359 HG2 LYS 47 1HG LYS 47 -11.554 0.402 3.648 360 HG3 LYS 47 2HG LYS 47 -12.791 -0.731 4.199 361 HD2 LYS 47 1HD LYS 47 -10.940 0.520 6.184 362 HD3 LYS 47 2HD LYS 47 -12.305 1.447 5.558 363 HE2 LYS 47 1HE LYS 47 -12.734 -1.321 6.599 364 HE3 LYS 47 2HE LYS 47 -12.572 0.023 7.728 365 HZ1 LYS 47 1HZ LYS 47 -14.743 -0.623 5.919 366 HZ2 LYS 47 2HZ LYS 47 -14.340 1.018 5.999 367 HZ3 LYS 47 3HZ LYS 47 -14.775 0.184 7.406 368 H VAL 48 H VAL 48 -6.962 -0.818 3.528 369 HA VAL 48 HA VAL 48 -6.665 -3.750 3.529 370 HB VAL 48 HB VAL 48 -4.812 -3.332 1.859 371 HG11 VAL 48 1HG1 VAL 48 -7.242 -4.032 1.385 372 HG12 VAL 48 2HG1 VAL 48 -7.449 -2.381 0.797 373 HG13 VAL 48 3HG1 VAL 48 -6.264 -3.445 0.040 374 HG21 VAL 48 1HG2 VAL 48 -4.863 -1.223 0.627 375 HG22 VAL 48 2HG2 VAL 48 -6.102 -0.607 1.719 376 HG23 VAL 48 3HG2 VAL 48 -4.484 -0.954 2.328 377 H ASP 49 H ASP 49 -4.393 -4.508 3.844 378 HA ASP 49 HA ASP 49 -2.991 -2.807 5.802 379 HB2 ASP 49 1HB ASP 49 -2.760 -5.786 5.905 380 HB3 ASP 49 2HB ASP 49 -2.620 -4.606 7.206 381 H ILE 50 H ILE 50 -1.394 -1.974 4.550 382 HA ILE 50 HA ILE 50 0.048 -3.571 2.643 383 HB ILE 50 HB ILE 50 0.725 -0.819 3.686 384 HG12 ILE 50 1HG1 ILE 50 -0.717 -1.497 1.123 385 HG13 ILE 50 2HG1 ILE 50 -1.567 -1.105 2.613 386 HG21 ILE 50 1HG2 ILE 50 2.250 -2.540 2.162 387 HG22 ILE 50 2HG2 ILE 50 1.502 -1.481 0.968 388 HG23 ILE 50 3HG2 ILE 50 2.457 -0.793 2.281 389 HD11 ILE 50 1HD1 ILE 50 -1.302 0.786 1.010 390 HD12 ILE 50 2HD1 ILE 50 -0.676 1.096 2.630 391 HD13 ILE 50 3HD1 ILE 50 0.434 0.720 1.313 392 H ARG 51 H ARG 51 1.888 -4.668 2.928 393 HA ARG 51 HA ARG 51 3.312 -4.329 5.486 394 HB2 ARG 51 1HB ARG 51 1.998 -6.524 5.016 395 HB3 ARG 51 2HB ARG 51 3.333 -6.898 3.934 396 HG2 ARG 51 1HG ARG 51 3.952 -7.934 5.903 397 HG3 ARG 51 2HG ARG 51 4.830 -6.405 5.974 398 HD2 ARG 51 1HD ARG 51 3.938 -6.425 8.073 399 HD3 ARG 51 2HD ARG 51 2.634 -5.613 7.210 400 HE ARG 51 HE ARG 51 1.305 -7.352 7.816 401 HH11 ARG 51 1HH1 ARG 51 4.579 -8.514 7.600 402 HH12 ARG 51 2HH1 ARG 51 4.175 -10.130 8.076 403 HH21 ARG 51 1HH2 ARG 51 0.760 -9.476 8.443 404 HH22 ARG 51 2HH2 ARG 51 2.002 -10.676 8.554 405 H PHE 52 H PHE 52 5.171 -3.315 5.128 406 HA PHE 52 HA PHE 52 6.503 -3.453 2.574 407 HB2 PHE 52 1HB PHE 52 7.081 -2.009 5.154 408 HB3 PHE 52 2HB PHE 52 8.221 -2.001 3.812 409 HD1 PHE 52 2HD PHE 52 4.908 -0.912 4.948 410 HD2 PHE 52 1HD PHE 52 7.801 -0.730 1.832 411 HE1 PHE 52 2HE PHE 52 3.686 0.965 3.929 412 HE2 PHE 52 1HE PHE 52 6.585 1.148 0.808 413 HZ PHE 52 HZ PHE 52 4.524 1.997 1.855 414 HA PRO 53 HA PRO 53 9.382 -6.659 3.399 415 HB2 PRO 53 1HB PRO 53 11.573 -5.769 2.065 416 HB3 PRO 53 2HB PRO 53 10.132 -6.382 1.245 417 HG2 PRO 53 1HG PRO 53 10.959 -3.551 1.758 418 HG3 PRO 53 2HG PRO 53 10.274 -4.268 0.287 419 HD2 PRO 53 1HD PRO 53 8.786 -2.839 2.041 420 HD3 PRO 53 2HD PRO 53 8.120 -4.190 1.102 421 H GLN 54 H GLN 54 10.269 -7.007 5.332 422 HA GLN 54 HA GLN 54 11.368 -5.033 6.989 423 HB2 GLN 54 1HB GLN 54 12.203 -6.935 8.353 424 HB3 GLN 54 2HB GLN 54 10.502 -7.078 7.928 425 HG2 GLN 54 1HG GLN 54 10.979 -8.714 6.264 426 HG3 GLN 54 2HG GLN 54 12.714 -8.455 6.430 427 HE21 GLN 54 1HE2 GLN 54 13.403 -8.679 8.859 428 HE22 GLN 54 2HE2 GLN 54 12.854 -10.129 9.622 429 H SER 55 H SER 55 13.672 -5.381 7.963 430 HA SER 55 HA SER 55 15.537 -4.581 6.053 431 HB2 SER 55 1HB SER 55 15.576 -4.360 8.647 432 HB3 SER 55 2HB SER 55 16.387 -5.925 8.604 433 HG SER 55 HG SER 55 18.093 -5.039 7.624 434 H GLY 56 H GLY 56 14.858 -7.775 7.392 435 HA2 GLY 56 1HA GLY 56 16.941 -8.934 5.673 436 HA3 GLY 56 2HA GLY 56 16.150 -9.747 7.015 437 H ALA 57 H ALA 57 14.297 -7.936 4.695 438 HA ALA 57 HA ALA 57 12.763 -10.264 4.019 439 HB1 ALA 57 1HB ALA 57 11.858 -7.918 4.275 440 HB2 ALA 57 2HB ALA 57 12.576 -7.567 2.702 441 HB3 ALA 57 3HB ALA 57 11.326 -8.802 2.845 442 HA PRO 58 HA PRO 58 14.849 -11.581 0.384 443 HB2 PRO 58 1HB PRO 58 12.770 -12.577 -1.050 444 HB3 PRO 58 2HB PRO 58 13.427 -13.385 0.379 445 HG2 PRO 58 1HG PRO 58 11.005 -11.642 0.134 446 HG3 PRO 58 2HG PRO 58 11.204 -13.162 1.025 447 HD2 PRO 58 1HD PRO 58 11.290 -10.742 2.236 448 HD3 PRO 58 2HD PRO 58 12.240 -12.129 2.806 449 H ASP 59 H ASP 59 11.947 -9.605 -0.067 450 HA ASP 59 HA ASP 59 13.214 -8.427 -2.453 451 HB2 ASP 59 1HB ASP 59 10.329 -9.142 -1.963 452 HB3 ASP 59 2HB ASP 59 10.789 -7.943 -3.169 453 HA PRO 60 HA PRO 60 12.785 -5.028 0.575 454 HB2 PRO 60 1HB PRO 60 14.925 -3.648 -0.366 455 HB3 PRO 60 2HB PRO 60 15.072 -4.978 0.789 456 HG2 PRO 60 1HG PRO 60 15.481 -4.991 -2.176 457 HG3 PRO 60 2HG PRO 60 16.453 -5.762 -0.909 458 HD2 PRO 60 1HD PRO 60 14.657 -7.131 -2.403 459 HD3 PRO 60 2HD PRO 60 15.011 -7.549 -0.714 460 H ASN 61 H ASN 61 12.314 -5.364 -2.708 461 HA ASN 61 HA ASN 61 11.517 -2.540 -2.992 462 HB2 ASN 61 1HB ASN 61 11.672 -3.167 -5.532 463 HB3 ASN 61 2HB ASN 61 13.137 -2.778 -4.635 464 HD21 ASN 61 1HD2 ASN 61 14.753 -4.094 -5.001 465 HD22 ASN 61 2HD2 ASN 61 14.638 -5.766 -5.420 466 H CYS 62 H CYS 62 10.175 -5.248 -2.157 467 HA CYS 62 HA CYS 62 7.753 -4.804 -3.767 468 HB2 CYS 62 1HB CYS 62 9.120 -6.985 -4.202 469 HB3 CYS 62 2HB CYS 62 8.420 -7.518 -2.678 470 HG CYS 62 HG CYS 62 7.123 -8.333 -5.251 471 H VAL 63 H VAL 63 5.803 -4.880 -2.691 472 HA VAL 63 HA VAL 63 5.961 -5.143 0.242 473 HB VAL 63 HB VAL 63 4.335 -3.410 0.509 474 HG11 VAL 63 1HG1 VAL 63 6.875 -2.966 -0.383 475 HG12 VAL 63 2HG1 VAL 63 5.921 -1.984 -1.495 476 HG13 VAL 63 3HG1 VAL 63 5.791 -1.726 0.245 477 HG21 VAL 63 1HG2 VAL 63 3.822 -3.937 -2.309 478 HG22 VAL 63 2HG2 VAL 63 2.766 -3.246 -1.076 479 HG23 VAL 63 3HG2 VAL 63 3.911 -2.216 -1.935 480 H THR 64 H THR 64 4.451 -6.368 1.241 481 HA THR 64 HA THR 64 2.667 -7.917 -0.469 482 HB THR 64 HB THR 64 3.532 -8.255 2.401 483 HG1 THR 64 1HG THR 64 4.957 -9.488 1.456 484 HG21 THR 64 1HG2 THR 64 1.121 -9.202 1.123 485 HG22 THR 64 2HG2 THR 64 1.636 -9.361 2.802 486 HG23 THR 64 3HG2 THR 64 2.152 -10.549 1.605 487 H VAL 65 H VAL 65 0.829 -6.820 -0.886 488 HA VAL 65 HA VAL 65 -0.504 -5.330 1.231 489 HB VAL 65 HB VAL 65 -1.316 -5.689 -1.657 490 HG11 VAL 65 1HG1 VAL 65 -2.848 -3.887 -1.301 491 HG12 VAL 65 2HG1 VAL 65 -3.139 -5.101 -0.055 492 HG13 VAL 65 3HG1 VAL 65 -2.247 -3.630 0.336 493 HG21 VAL 65 1HG2 VAL 65 -0.051 -3.253 -0.432 494 HG22 VAL 65 2HG2 VAL 65 0.899 -4.525 -1.200 495 HG23 VAL 65 3HG2 VAL 65 -0.290 -3.624 -2.140 496 H THR 66 H THR 66 -2.245 -6.009 2.321 497 HA THR 66 HA THR 66 -3.409 -8.602 1.555 498 HB THR 66 HB THR 66 -3.745 -7.384 4.278 499 HG1 THR 66 1HG THR 66 -1.531 -8.947 3.384 500 HG21 THR 66 1HG2 THR 66 -3.799 -10.168 3.130 501 HG22 THR 66 2HG2 THR 66 -5.102 -9.289 3.931 502 HG23 THR 66 3HG2 THR 66 -3.719 -9.859 4.864 503 H GLY 67 H GLY 67 -5.715 -8.909 2.000 504 HA2 GLY 67 1HA GLY 67 -7.809 -7.691 2.644 505 HA3 GLY 67 2HA GLY 67 -7.212 -6.389 1.626 506 H LEU 68 H LEU 68 -9.659 -7.210 1.055 507 HA LEU 68 HA LEU 68 -10.011 -9.407 -0.613 508 HB2 LEU 68 1HB LEU 68 -11.382 -6.739 -0.484 509 HB3 LEU 68 2HB LEU 68 -11.883 -7.990 -1.620 510 HG LEU 68 HG LEU 68 -13.294 -7.923 0.388 511 HD11 LEU 68 1HD1 LEU 68 -11.884 -10.222 -0.635 512 HD12 LEU 68 2HD1 LEU 68 -13.574 -10.057 -0.158 513 HD13 LEU 68 3HD1 LEU 68 -12.352 -10.456 1.049 514 HD21 LEU 68 1HD2 LEU 68 -12.431 -8.543 2.548 515 HD22 LEU 68 2HD2 LEU 68 -11.529 -7.152 1.946 516 HD23 LEU 68 3HD2 LEU 68 -10.813 -8.763 1.882 517 HA PRO 69 HA PRO 69 -8.012 -8.468 -4.406 518 HB2 PRO 69 1HB PRO 69 -9.705 -9.607 -6.197 519 HB3 PRO 69 2HB PRO 69 -8.659 -10.551 -5.128 520 HG2 PRO 69 1HG PRO 69 -11.565 -9.892 -4.837 521 HG3 PRO 69 2HG PRO 69 -10.732 -11.430 -4.548 522 HD2 PRO 69 1HD PRO 69 -11.428 -9.751 -2.541 523 HD3 PRO 69 2HD PRO 69 -9.982 -10.777 -2.468 524 H GLU 70 H GLU 70 -11.143 -7.263 -3.718 525 HA GLU 70 HA GLU 70 -11.290 -5.660 -6.144 526 HB2 GLU 70 1HB GLU 70 -13.469 -4.976 -5.370 527 HB3 GLU 70 2HB GLU 70 -13.330 -6.720 -5.203 528 HG2 GLU 70 1HG GLU 70 -12.876 -6.459 -2.819 529 HG3 GLU 70 2HG GLU 70 -13.015 -4.709 -2.985 530 H ASN 71 H ASN 71 -10.482 -5.344 -2.770 531 HA ASN 71 HA ASN 71 -10.414 -2.441 -2.900 532 HB2 ASN 71 1HB ASN 71 -9.823 -4.416 -0.692 533 HB3 ASN 71 2HB ASN 71 -9.587 -2.680 -0.513 534 HD21 ASN 71 1HD2 ASN 71 -11.493 -4.804 0.609 535 HD22 ASN 71 2HD2 ASN 71 -13.042 -4.050 0.487 536 H VAL 72 H VAL 72 -8.177 -5.162 -2.710 537 HA VAL 72 HA VAL 72 -5.798 -3.767 -2.308 538 HB VAL 72 HB VAL 72 -6.368 -6.362 -3.722 539 HG11 VAL 72 1HG1 VAL 72 -3.824 -4.838 -3.534 540 HG12 VAL 72 2HG1 VAL 72 -3.762 -6.590 -3.340 541 HG13 VAL 72 3HG1 VAL 72 -4.421 -5.888 -4.818 542 HG21 VAL 72 1HG2 VAL 72 -6.611 -6.095 -1.211 543 HG22 VAL 72 2HG2 VAL 72 -5.548 -7.390 -1.763 544 HG23 VAL 72 3HG2 VAL 72 -4.861 -5.880 -1.165 545 H GLU 73 H GLU 73 -7.270 -4.807 -5.384 546 HA GLU 73 HA GLU 73 -5.419 -3.820 -7.154 547 HB2 GLU 73 1HB GLU 73 -7.252 -3.637 -8.783 548 HB3 GLU 73 2HB GLU 73 -7.342 -5.134 -7.865 549 HG2 GLU 73 1HG GLU 73 -9.139 -4.321 -6.549 550 HG3 GLU 73 2HG GLU 73 -8.939 -2.685 -7.175 551 H GLU 74 H GLU 74 -8.005 -2.062 -5.513 552 HA GLU 74 HA GLU 74 -7.584 0.394 -6.885 553 HB2 GLU 74 1HB GLU 74 -8.876 -0.094 -4.195 554 HB3 GLU 74 2HB GLU 74 -9.011 1.376 -5.151 555 HG2 GLU 74 1HG GLU 74 -10.034 -0.049 -6.966 556 HG3 GLU 74 2HG GLU 74 -10.126 -1.341 -5.770 557 H ALA 75 H ALA 75 -6.366 -0.984 -3.882 558 HA ALA 75 HA ALA 75 -5.111 1.338 -2.889 559 HB1 ALA 75 1HB ALA 75 -3.599 -0.623 -1.831 560 HB2 ALA 75 2HB ALA 75 -5.188 -0.169 -1.215 561 HB3 ALA 75 3HB ALA 75 -5.025 -1.547 -2.303 562 H ILE 76 H ILE 76 -3.883 -1.345 -4.866 563 HA ILE 76 HA ILE 76 -1.217 -0.625 -5.014 564 HB ILE 76 HB ILE 76 -2.888 -1.830 -7.223 565 HG12 ILE 76 1HG1 ILE 76 -1.111 -3.317 -5.303 566 HG13 ILE 76 2HG1 ILE 76 -2.790 -2.969 -4.904 567 HG21 ILE 76 1HG2 ILE 76 -0.562 -2.852 -7.761 568 HG22 ILE 76 2HG2 ILE 76 -0.933 -1.211 -8.288 569 HG23 ILE 76 3HG2 ILE 76 0.056 -1.474 -6.851 570 HD11 ILE 76 1HD1 ILE 76 -2.040 -5.222 -6.071 571 HD12 ILE 76 2HD1 ILE 76 -3.596 -4.462 -6.404 572 HD13 ILE 76 3HD1 ILE 76 -2.249 -4.240 -7.520 573 H ASP 77 H ASP 77 -3.794 0.265 -7.315 574 HA ASP 77 HA ASP 77 -2.395 1.854 -9.039 575 HB2 ASP 77 1HB ASP 77 -4.915 1.259 -8.992 576 HB3 ASP 77 2HB ASP 77 -5.093 2.732 -8.043 577 H HIS 78 H HIS 78 -3.539 2.686 -5.817 578 HA HIS 78 HA HIS 78 -2.823 5.449 -5.998 579 HB2 HIS 78 1HB HIS 78 -4.558 4.689 -4.446 580 HB3 HIS 78 2HB HIS 78 -3.372 3.722 -3.574 581 HD1 HIS 78 1HD HIS 78 -5.069 6.799 -3.290 582 HD2 HIS 78 2HD HIS 78 -1.147 5.601 -2.626 583 HE1 HIS 78 1HE HIS 78 -4.081 8.544 -1.773 584 H ILE 79 H ILE 79 -1.306 2.557 -4.637 585 HA ILE 79 HA ILE 79 0.876 3.795 -3.398 586 HB ILE 79 HB ILE 79 0.734 1.052 -4.654 587 HG12 ILE 79 1HG1 ILE 79 0.425 1.855 -1.756 588 HG13 ILE 79 2HG1 ILE 79 -0.932 1.576 -2.842 589 HG21 ILE 79 1HG2 ILE 79 2.536 1.060 -2.513 590 HG22 ILE 79 2HG2 ILE 79 2.907 0.890 -4.228 591 HG23 ILE 79 3HG2 ILE 79 2.928 2.484 -3.475 592 HD11 ILE 79 1HD1 ILE 79 -0.684 -0.666 -2.790 593 HD12 ILE 79 2HD1 ILE 79 1.071 -0.582 -2.637 594 HD13 ILE 79 3HD1 ILE 79 0.048 -0.297 -1.229 595 H LEU 80 H LEU 80 0.808 2.163 -6.573 596 HA LEU 80 HA LEU 80 3.364 2.957 -7.381 597 HB2 LEU 80 1HB LEU 80 0.927 1.959 -8.747 598 HB3 LEU 80 2HB LEU 80 2.178 2.696 -9.746 599 HG LEU 80 HG LEU 80 2.672 0.383 -7.877 600 HD11 LEU 80 1HD1 LEU 80 2.653 -1.028 -9.868 601 HD12 LEU 80 2HD1 LEU 80 2.158 0.352 -10.847 602 HD13 LEU 80 3HD1 LEU 80 1.080 -0.275 -9.601 603 HD21 LEU 80 1HD2 LEU 80 4.414 2.140 -9.160 604 HD22 LEU 80 2HD2 LEU 80 4.432 0.676 -10.143 605 HD23 LEU 80 3HD2 LEU 80 4.816 0.589 -8.423 606 H ASN 81 H ASN 81 0.282 4.601 -7.529 607 HA ASN 81 HA ASN 81 0.848 6.579 -9.402 608 HB2 ASN 81 1HB ASN 81 -1.374 6.561 -8.756 609 HB3 ASN 81 2HB ASN 81 -0.985 6.402 -7.046 610 HD21 ASN 81 1HD2 ASN 81 -2.133 8.086 -6.272 611 HD22 ASN 81 2HD2 ASN 81 -1.828 9.737 -6.679 612 H LEU 82 H LEU 82 1.425 6.564 -5.898 613 HA LEU 82 HA LEU 82 2.580 9.163 -5.831 614 HB2 LEU 82 1HB LEU 82 2.944 6.905 -3.869 615 HB3 LEU 82 2HB LEU 82 3.244 8.616 -3.573 616 HG LEU 82 HG LEU 82 0.535 7.411 -4.131 617 HD11 LEU 82 1HD1 LEU 82 1.991 7.104 -1.840 618 HD12 LEU 82 2HD1 LEU 82 0.231 7.068 -1.943 619 HD13 LEU 82 3HD1 LEU 82 1.058 8.561 -1.497 620 HD21 LEU 82 1HD2 LEU 82 1.532 10.115 -4.084 621 HD22 LEU 82 2HD2 LEU 82 0.308 9.871 -2.838 622 HD23 LEU 82 3HD2 LEU 82 -0.066 9.514 -4.524 623 H GLU 83 H GLU 83 3.946 5.886 -5.883 624 HA GLU 83 HA GLU 83 6.572 6.211 -5.531 625 HB2 GLU 83 1HB GLU 83 5.434 4.116 -6.308 626 HB3 GLU 83 2HB GLU 83 5.480 4.758 -7.943 627 HG2 GLU 83 1HG GLU 83 8.044 4.986 -7.441 628 HG3 GLU 83 2HG GLU 83 7.694 3.744 -6.240 629 H GLU 84 H GLU 84 4.910 7.026 -8.567 630 HA GLU 84 HA GLU 84 7.235 8.020 -9.859 631 HB2 GLU 84 1HB GLU 84 5.018 7.245 -10.911 632 HB3 GLU 84 2HB GLU 84 4.423 8.855 -10.529 633 HG2 GLU 84 1HG GLU 84 6.667 8.106 -12.378 634 HG3 GLU 84 2HG GLU 84 5.141 8.891 -12.780 635 H GLU 85 H GLU 85 4.455 9.674 -8.364 636 HA GLU 85 HA GLU 85 5.141 12.287 -8.739 637 HB2 GLU 85 1HB GLU 85 3.077 11.671 -7.641 638 HB3 GLU 85 2HB GLU 85 3.956 11.018 -6.266 639 HG2 GLU 85 1HG GLU 85 3.038 13.151 -5.680 640 HG3 GLU 85 2HG GLU 85 4.794 13.279 -5.763 641 H TYR 86 H TYR 86 6.417 10.091 -6.280 642 HA TYR 86 HA TYR 86 8.057 12.103 -5.054 643 HB2 TYR 86 1HB TYR 86 7.885 9.107 -4.766 644 HB3 TYR 86 2HB TYR 86 9.090 10.062 -3.910 645 HD1 TYR 86 2HD TYR 86 7.828 12.332 -2.868 646 HD2 TYR 86 1HD TYR 86 6.148 8.461 -3.407 647 HE1 TYR 86 2HE TYR 86 6.198 12.798 -1.086 648 HE2 TYR 86 1HE TYR 86 4.512 8.916 -1.627 649 HH TYR 86 HH TYR 86 4.632 10.727 0.562 650 H LEU 87 H LEU 87 8.641 9.343 -7.210 651 HA LEU 87 HA LEU 87 11.403 9.502 -7.393 652 HB2 LEU 87 1HB LEU 87 9.305 8.634 -9.356 653 HB3 LEU 87 2HB LEU 87 11.022 8.561 -9.745 654 HG LEU 87 HG LEU 87 9.881 7.176 -7.334 655 HD11 LEU 87 1HD1 LEU 87 10.131 6.104 -10.140 656 HD12 LEU 87 2HD1 LEU 87 8.642 6.333 -9.224 657 HD13 LEU 87 3HD1 LEU 87 9.819 5.127 -8.706 658 HD21 LEU 87 1HD2 LEU 87 12.330 6.600 -8.994 659 HD22 LEU 87 2HD2 LEU 87 11.878 5.858 -7.459 660 HD23 LEU 87 3HD2 LEU 87 12.336 7.561 -7.516 661 H ALA 88 H ALA 88 8.944 11.476 -8.887 662 HA ALA 88 HA ALA 88 10.382 12.655 -10.953 663 HB1 ALA 88 1HB ALA 88 8.039 13.036 -10.798 664 HB2 ALA 88 2HB ALA 88 8.202 13.778 -9.205 665 HB3 ALA 88 3HB ALA 88 8.834 14.602 -10.631 666 H ASP 89 H ASP 89 10.651 13.084 -7.532 667 HA ASP 89 HA ASP 89 12.169 15.552 -7.778 668 HB2 ASP 89 1HB ASP 89 10.530 15.013 -5.879 669 HB3 ASP 89 2HB ASP 89 11.787 13.948 -5.256 670 H SER 90 H SER 90 13.508 13.806 -9.223 671 HA SER 90 HA SER 90 15.731 12.915 -7.503 672 HB2 SER 90 1HB SER 90 14.690 10.979 -8.490 673 HB3 SER 90 2HB SER 90 14.709 11.723 -10.089 674 HG SER 90 HG SER 90 17.030 11.696 -9.927 675 H GLY 91 H GLY 91 14.887 14.181 -10.714 676 HA2 GLY 91 1HA GLY 91 16.036 16.093 -11.610 677 HA3 GLY 91 2HA GLY 91 17.470 15.595 -10.724 678 HA PRO 92 HA PRO 92 17.177 13.836 -15.201 679 HB2 PRO 92 1HB PRO 92 18.335 15.830 -16.634 680 HB3 PRO 92 2HB PRO 92 16.588 15.711 -16.391 681 HG2 PRO 92 1HG PRO 92 18.590 17.411 -14.953 682 HG3 PRO 92 2HG PRO 92 16.973 17.841 -15.540 683 HD2 PRO 92 1HD PRO 92 17.471 17.245 -12.946 684 HD3 PRO 92 2HD PRO 92 15.922 16.874 -13.730 685 H SER 93 H SER 93 19.570 15.698 -13.442 686 HA SER 93 HA SER 93 21.837 14.644 -14.825 687 HB2 SER 93 1HB SER 93 23.154 15.694 -13.044 688 HB3 SER 93 2HB SER 93 21.915 16.803 -13.633 689 HG SER 93 HG SER 93 21.999 15.360 -11.211 690 H SER 94 H SER 94 22.954 12.826 -14.474 691 HA SER 94 HA SER 94 21.916 10.704 -13.008 692 HB2 SER 94 1HB SER 94 24.603 11.264 -14.214 693 HB3 SER 94 2HB SER 94 24.382 9.831 -13.210 694 HG SER 94 HG SER 94 22.523 9.392 -14.641 695 H GLY 95 H GLY 95 22.482 9.735 -11.048 696 HA2 GLY 95 1HA GLY 95 22.816 11.332 -8.843 697 HA3 GLY 95 2HA GLY 95 23.231 9.624 -8.875 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -28.866 12.834 -5.479 2 HA2 GLY 1 1HA GLY 1 -30.242 12.193 -2.978 3 HA3 GLY 1 2HA GLY 1 -31.180 12.090 -4.461 4 H SER 2 H SER 2 -30.989 9.861 -2.980 5 HA SER 2 HA SER 2 -29.840 8.000 -4.777 6 HB2 SER 2 1HB SER 2 -28.292 8.700 -2.312 7 HB3 SER 2 2HB SER 2 -28.294 7.028 -2.873 8 HG SER 2 HG SER 2 -27.775 8.151 -5.015 9 H SER 3 H SER 3 -30.723 6.007 -4.511 10 HA SER 3 HA SER 3 -32.446 5.643 -2.149 11 HB2 SER 3 1HB SER 3 -32.779 4.697 -4.998 12 HB3 SER 3 2HB SER 3 -33.752 4.078 -3.664 13 HG SER 3 HG SER 3 -34.855 5.874 -3.639 14 H GLY 4 H GLY 4 -32.604 3.561 -1.218 15 HA2 GLY 4 1HA GLY 4 -31.967 1.317 -0.900 16 HA3 GLY 4 2HA GLY 4 -30.723 1.520 -2.124 17 H SER 5 H SER 5 -31.211 1.041 1.081 18 HA SER 5 HA SER 5 -29.134 2.721 2.143 19 HB2 SER 5 1HB SER 5 -31.209 1.726 3.369 20 HB3 SER 5 2HB SER 5 -30.201 0.291 3.552 21 HG SER 5 HG SER 5 -29.828 2.874 4.604 22 H SER 6 H SER 6 -27.139 2.334 1.371 23 HA SER 6 HA SER 6 -26.104 -0.412 1.630 24 HB2 SER 6 1HB SER 6 -26.457 0.526 -0.767 25 HB3 SER 6 2HB SER 6 -25.035 1.510 -0.420 26 HG SER 6 HG SER 6 -23.820 -0.195 -0.623 27 H GLY 7 H GLY 7 -24.311 -0.641 2.821 28 HA2 GLY 7 1HA GLY 7 -22.802 1.807 3.505 29 HA3 GLY 7 2HA GLY 7 -23.188 0.576 4.698 30 H ARG 8 H ARG 8 -20.605 1.302 4.430 31 HA ARG 8 HA ARG 8 -19.268 -0.524 2.613 32 HB2 ARG 8 1HB ARG 8 -18.436 1.714 4.389 33 HB3 ARG 8 2HB ARG 8 -17.237 0.482 4.020 34 HG2 ARG 8 1HG ARG 8 -18.795 1.787 1.827 35 HG3 ARG 8 2HG ARG 8 -17.386 2.582 2.533 36 HD2 ARG 8 1HD ARG 8 -16.371 1.437 0.840 37 HD3 ARG 8 2HD ARG 8 -16.283 0.222 2.114 38 HE ARG 8 HE ARG 8 -18.664 0.003 0.545 39 HH11 ARG 8 1HH1 ARG 8 -15.280 -0.806 0.677 40 HH12 ARG 8 2HH1 ARG 8 -15.436 -2.186 -0.359 41 HH21 ARG 8 1HH2 ARG 8 -18.882 -1.812 -0.820 42 HH22 ARG 8 2HH2 ARG 8 -17.485 -2.757 -1.211 43 H ILE 9 H ILE 9 -17.365 -1.791 3.571 44 HA ILE 9 HA ILE 9 -17.690 -2.748 6.266 45 HB ILE 9 HB ILE 9 -17.920 -5.165 5.459 46 HG12 ILE 9 1HG1 ILE 9 -19.405 -5.198 3.320 47 HG13 ILE 9 2HG1 ILE 9 -18.668 -3.635 2.984 48 HG21 ILE 9 1HG2 ILE 9 -20.172 -5.115 5.898 49 HG22 ILE 9 2HG2 ILE 9 -19.681 -3.544 6.527 50 HG23 ILE 9 3HG2 ILE 9 -20.438 -3.660 4.939 51 HD11 ILE 9 1HD1 ILE 9 -16.746 -5.716 3.678 52 HD12 ILE 9 2HD1 ILE 9 -17.674 -6.047 2.215 53 HD13 ILE 9 3HD1 ILE 9 -16.741 -4.556 2.350 54 H VAL 10 H VAL 10 -16.125 -4.586 6.708 55 HA VAL 10 HA VAL 10 -13.585 -3.910 5.466 56 HB VAL 10 HB VAL 10 -14.212 -5.720 7.803 57 HG11 VAL 10 1HG1 VAL 10 -11.897 -5.611 6.204 58 HG12 VAL 10 2HG1 VAL 10 -11.503 -4.806 7.724 59 HG13 VAL 10 3HG1 VAL 10 -12.120 -6.458 7.734 60 HG21 VAL 10 1HG2 VAL 10 -12.773 -3.108 7.985 61 HG22 VAL 10 2HG2 VAL 10 -14.535 -3.134 7.911 62 HG23 VAL 10 3HG2 VAL 10 -13.696 -3.969 9.218 63 H GLY 11 H GLY 11 -15.733 -6.691 5.817 64 HA2 GLY 11 1HA GLY 11 -15.920 -8.277 4.010 65 HA3 GLY 11 2HA GLY 11 -14.218 -8.012 3.662 66 H GLU 12 H GLU 12 -14.608 -10.505 3.717 67 HA GLU 12 HA GLU 12 -14.497 -11.595 6.412 68 HB2 GLU 12 1HB GLU 12 -14.859 -12.708 3.678 69 HB3 GLU 12 2HB GLU 12 -14.140 -13.761 4.888 70 HG2 GLU 12 1HG GLU 12 -16.710 -12.301 5.385 71 HG3 GLU 12 2HG GLU 12 -16.662 -13.866 4.577 72 H LEU 13 H LEU 13 -12.740 -12.620 7.313 73 HA LEU 13 HA LEU 13 -10.185 -11.683 6.621 74 HB2 LEU 13 1HB LEU 13 -11.238 -13.757 8.484 75 HB3 LEU 13 2HB LEU 13 -9.505 -13.701 8.164 76 HG LEU 13 HG LEU 13 -9.863 -11.144 8.802 77 HD11 LEU 13 1HD1 LEU 13 -11.449 -11.095 10.762 78 HD12 LEU 13 2HD1 LEU 13 -12.115 -12.609 10.152 79 HD13 LEU 13 3HD1 LEU 13 -12.198 -11.149 9.166 80 HD21 LEU 13 1HD2 LEU 13 -8.366 -12.842 9.862 81 HD22 LEU 13 2HD2 LEU 13 -9.712 -13.296 10.906 82 HD23 LEU 13 3HD2 LEU 13 -9.046 -11.664 10.985 83 H GLU 14 H GLU 14 -11.395 -15.040 6.478 84 HA GLU 14 HA GLU 14 -9.245 -16.093 5.050 85 HB2 GLU 14 1HB GLU 14 -12.135 -16.965 5.145 86 HB3 GLU 14 2HB GLU 14 -10.855 -17.908 4.395 87 HG2 GLU 14 1HG GLU 14 -10.730 -17.042 7.264 88 HG3 GLU 14 2HG GLU 14 -11.529 -18.530 6.759 89 H GLN 15 H GLN 15 -11.779 -14.049 4.012 90 HA GLN 15 HA GLN 15 -11.717 -14.808 1.241 91 HB2 GLN 15 1HB GLN 15 -13.037 -12.650 2.832 92 HB3 GLN 15 2HB GLN 15 -12.923 -12.469 1.087 93 HG2 GLN 15 1HG GLN 15 -13.907 -14.906 1.102 94 HG3 GLN 15 2HG GLN 15 -14.481 -14.420 2.697 95 HE21 GLN 15 1HE2 GLN 15 -14.820 -11.653 2.020 96 HE22 GLN 15 2HE2 GLN 15 -16.209 -11.550 0.997 97 H MET 16 H MET 16 -10.316 -12.231 3.212 98 HA MET 16 HA MET 16 -9.284 -10.548 1.326 99 HB2 MET 16 1HB MET 16 -7.903 -11.496 3.844 100 HB3 MET 16 2HB MET 16 -7.460 -10.063 2.925 101 HG2 MET 16 1HG MET 16 -9.891 -9.321 3.325 102 HG3 MET 16 2HG MET 16 -9.899 -10.557 4.581 103 HE1 MET 16 1HE MET 16 -10.472 -9.077 6.392 104 HE2 MET 16 2HE MET 16 -9.508 -7.754 7.050 105 HE3 MET 16 3HE MET 16 -10.463 -7.507 5.587 106 H VAL 17 H VAL 17 -7.263 -10.369 0.248 107 HA VAL 17 HA VAL 17 -5.768 -12.879 -0.071 108 HB VAL 17 HB VAL 17 -5.643 -12.585 -2.478 109 HG11 VAL 17 1HG1 VAL 17 -7.689 -13.492 -2.968 110 HG12 VAL 17 2HG1 VAL 17 -7.678 -13.673 -1.212 111 HG13 VAL 17 3HG1 VAL 17 -8.564 -12.342 -1.958 112 HG21 VAL 17 1HG2 VAL 17 -7.393 -10.175 -2.008 113 HG22 VAL 17 2HG2 VAL 17 -5.754 -10.193 -2.660 114 HG23 VAL 17 3HG2 VAL 17 -7.081 -10.885 -3.593 115 H SER 18 H SER 18 -3.608 -12.650 -0.131 116 HA SER 18 HA SER 18 -2.535 -9.953 0.152 117 HB2 SER 18 1HB SER 18 -1.975 -12.050 1.636 118 HB3 SER 18 2HB SER 18 -0.846 -12.421 0.334 119 HG SER 18 HG SER 18 -0.946 -9.966 1.756 120 H GLU 19 H GLU 19 -1.585 -8.911 -1.462 121 HA GLU 19 HA GLU 19 -0.594 -10.480 -3.752 122 HB2 GLU 19 1HB GLU 19 -2.201 -7.978 -3.619 123 HB3 GLU 19 2HB GLU 19 -1.016 -8.116 -4.909 124 HG2 GLU 19 1HG GLU 19 -3.418 -9.828 -4.388 125 HG3 GLU 19 2HG GLU 19 -3.022 -8.888 -5.826 126 H ASP 20 H ASP 20 1.134 -9.382 -5.008 127 HA ASP 20 HA ASP 20 2.983 -8.014 -3.174 128 HB2 ASP 20 1HB ASP 20 3.477 -9.755 -5.590 129 HB3 ASP 20 2HB ASP 20 4.743 -8.791 -4.834 130 H VAL 21 H VAL 21 3.342 -5.931 -3.508 131 HA VAL 21 HA VAL 21 2.846 -4.830 -6.197 132 HB VAL 21 HB VAL 21 2.885 -3.131 -3.729 133 HG11 VAL 21 1HG1 VAL 21 0.942 -2.569 -5.817 134 HG12 VAL 21 2HG1 VAL 21 2.166 -1.521 -5.098 135 HG13 VAL 21 3HG1 VAL 21 2.598 -2.604 -6.422 136 HG21 VAL 21 1HG2 VAL 21 0.436 -3.426 -3.553 137 HG22 VAL 21 2HG2 VAL 21 0.531 -4.724 -4.743 138 HG23 VAL 21 3HG2 VAL 21 1.331 -4.900 -3.182 139 HA PRO 22 HA PRO 22 7.247 -4.102 -6.193 140 HB2 PRO 22 1HB PRO 22 7.326 -2.930 -8.641 141 HB3 PRO 22 2HB PRO 22 7.189 -4.678 -8.417 142 HG2 PRO 22 1HG PRO 22 5.050 -2.671 -9.017 143 HG3 PRO 22 2HG PRO 22 5.296 -4.285 -9.709 144 HD2 PRO 22 1HD PRO 22 3.474 -3.796 -7.767 145 HD3 PRO 22 2HD PRO 22 4.331 -5.345 -7.904 146 H LEU 23 H LEU 23 7.604 -2.530 -4.671 147 HA LEU 23 HA LEU 23 7.134 0.252 -5.524 148 HB2 LEU 23 1HB LEU 23 5.778 -0.587 -3.559 149 HB3 LEU 23 2HB LEU 23 7.297 -0.690 -2.672 150 HG LEU 23 HG LEU 23 7.564 1.798 -3.174 151 HD11 LEU 23 1HD1 LEU 23 5.909 3.000 -4.108 152 HD12 LEU 23 2HD1 LEU 23 4.638 2.025 -3.371 153 HD13 LEU 23 3HD1 LEU 23 5.457 1.452 -4.824 154 HD21 LEU 23 1HD2 LEU 23 5.188 1.591 -1.473 155 HD22 LEU 23 2HD2 LEU 23 6.807 2.184 -1.099 156 HD23 LEU 23 3HD2 LEU 23 6.474 0.452 -1.073 157 H ASP 24 H ASP 24 8.943 1.309 -5.949 158 HA ASP 24 HA ASP 24 11.517 0.311 -5.451 159 HB2 ASP 24 1HB ASP 24 10.820 2.017 -7.206 160 HB3 ASP 24 2HB ASP 24 10.861 3.219 -5.919 161 H HIS 25 H HIS 25 13.059 0.770 -3.924 162 HA HIS 25 HA HIS 25 12.145 1.463 -1.329 163 HB2 HIS 25 1HB HIS 25 14.432 1.151 -0.622 164 HB3 HIS 25 2HB HIS 25 14.029 -0.105 -1.788 165 HD1 HIS 25 1HD HIS 25 14.943 0.370 -4.299 166 HD2 HIS 25 2HD HIS 25 16.667 2.577 -1.230 167 HE1 HIS 25 1HE HIS 25 17.092 1.271 -5.244 168 H ARG 26 H ARG 26 13.048 3.349 -3.964 169 HA ARG 26 HA ARG 26 14.249 5.532 -2.558 170 HB2 ARG 26 1HB ARG 26 13.022 5.366 -5.315 171 HB3 ARG 26 2HB ARG 26 13.887 6.767 -4.695 172 HG2 ARG 26 1HG ARG 26 15.259 4.134 -4.640 173 HG3 ARG 26 2HG ARG 26 15.075 4.957 -6.190 174 HD2 ARG 26 1HD ARG 26 16.454 5.964 -3.711 175 HD3 ARG 26 2HD ARG 26 17.175 5.613 -5.281 176 HE ARG 26 HE ARG 26 15.300 7.551 -5.772 177 HH11 ARG 26 1HH1 ARG 26 18.098 7.248 -3.722 178 HH12 ARG 26 2HH1 ARG 26 18.471 8.939 -3.762 179 HH21 ARG 26 1HH2 ARG 26 15.782 9.780 -5.832 180 HH22 ARG 26 2HH2 ARG 26 17.153 10.379 -4.961 181 H VAL 27 H VAL 27 11.057 4.436 -2.966 182 HA VAL 27 HA VAL 27 10.007 7.047 -2.084 183 HB VAL 27 HB VAL 27 7.849 6.428 -3.074 184 HG11 VAL 27 1HG1 VAL 27 8.389 6.996 -5.262 185 HG12 VAL 27 2HG1 VAL 27 9.769 7.600 -4.343 186 HG13 VAL 27 3HG1 VAL 27 9.897 6.082 -5.232 187 HG21 VAL 27 1HG2 VAL 27 8.370 3.924 -2.877 188 HG22 VAL 27 2HG2 VAL 27 7.476 4.470 -4.296 189 HG23 VAL 27 3HG2 VAL 27 9.198 4.112 -4.423 190 H HIS 28 H HIS 28 10.398 3.737 -1.363 191 HA HIS 28 HA HIS 28 8.357 2.863 0.115 192 HB2 HIS 28 1HB HIS 28 11.297 2.734 0.558 193 HB3 HIS 28 2HB HIS 28 10.255 2.201 1.874 194 HD2 HIS 28 2HD HIS 28 9.012 1.352 -1.686 195 HE1 HIS 28 1HE HIS 28 10.642 -2.183 0.001 196 HE2 HIS 28 2HE HIS 28 9.404 -1.190 -1.956 197 H ALA 29 H ALA 29 10.907 4.695 1.799 198 HA ALA 29 HA ALA 29 9.467 5.249 4.095 199 HB1 ALA 29 1HB ALA 29 11.991 5.759 3.269 200 HB2 ALA 29 2HB ALA 29 11.303 7.383 3.247 201 HB3 ALA 29 3HB ALA 29 11.271 6.432 4.732 202 H ARG 30 H ARG 30 9.848 7.309 1.214 203 HA ARG 30 HA ARG 30 8.464 9.534 1.937 204 HB2 ARG 30 1HB ARG 30 8.765 8.081 -0.646 205 HB3 ARG 30 2HB ARG 30 7.576 9.375 -0.568 206 HG2 ARG 30 1HG ARG 30 9.581 10.325 -1.381 207 HG3 ARG 30 2HG ARG 30 9.401 10.867 0.288 208 HD2 ARG 30 1HD ARG 30 10.909 8.972 0.957 209 HD3 ARG 30 2HD ARG 30 11.209 8.698 -0.759 210 HE ARG 30 HE ARG 30 11.798 11.315 -0.449 211 HH11 ARG 30 1HH1 ARG 30 12.792 8.435 1.235 212 HH12 ARG 30 2HH1 ARG 30 14.350 9.062 1.658 213 HH21 ARG 30 1HH2 ARG 30 13.847 12.153 0.102 214 HH22 ARG 30 2HH2 ARG 30 14.949 11.178 1.014 215 H ILE 31 H ILE 31 7.091 6.439 0.931 216 HA ILE 31 HA ILE 31 4.378 7.402 1.108 217 HB ILE 31 HB ILE 31 5.570 4.684 0.616 218 HG12 ILE 31 1HG1 ILE 31 3.722 6.351 -1.097 219 HG13 ILE 31 2HG1 ILE 31 5.477 6.454 -1.193 220 HG21 ILE 31 1HG2 ILE 31 3.690 4.048 1.807 221 HG22 ILE 31 2HG2 ILE 31 2.739 5.419 1.237 222 HG23 ILE 31 3HG2 ILE 31 3.093 4.077 0.148 223 HD11 ILE 31 1HD1 ILE 31 3.825 3.995 -1.716 224 HD12 ILE 31 2HD1 ILE 31 4.576 5.026 -2.935 225 HD13 ILE 31 3HD1 ILE 31 5.582 4.102 -1.819 226 H ILE 32 H ILE 32 6.405 5.132 2.952 227 HA ILE 32 HA ILE 32 4.668 4.276 4.869 228 HB ILE 32 HB ILE 32 7.551 5.081 5.262 229 HG12 ILE 32 1HG1 ILE 32 6.468 2.287 5.017 230 HG13 ILE 32 2HG1 ILE 32 6.838 3.237 3.582 231 HG21 ILE 32 1HG2 ILE 32 6.379 5.013 7.402 232 HG22 ILE 32 2HG2 ILE 32 5.790 3.393 7.034 233 HG23 ILE 32 3HG2 ILE 32 7.516 3.673 7.258 234 HD11 ILE 32 1HD1 ILE 32 9.038 3.348 5.405 235 HD12 ILE 32 2HD1 ILE 32 8.583 1.670 5.107 236 HD13 ILE 32 3HD1 ILE 32 8.980 2.730 3.754 237 H GLY 33 H GLY 33 6.584 7.281 5.019 238 HA2 GLY 33 1HA GLY 33 5.644 9.332 5.818 239 HA3 GLY 33 2HA GLY 33 4.515 8.397 6.787 240 H ALA 34 H ALA 34 6.307 10.572 7.586 241 HA ALA 34 HA ALA 34 8.608 9.952 8.865 242 HB1 ALA 34 1HB ALA 34 6.530 11.547 10.321 243 HB2 ALA 34 2HB ALA 34 8.276 11.791 10.256 244 HB3 ALA 34 3HB ALA 34 7.281 12.155 8.845 245 H ARG 35 H ARG 35 5.465 9.796 10.554 246 HA ARG 35 HA ARG 35 6.626 7.773 12.343 247 HB2 ARG 35 1HB ARG 35 5.657 9.928 13.284 248 HB3 ARG 35 2HB ARG 35 4.080 9.324 12.794 249 HG2 ARG 35 1HG ARG 35 4.175 7.533 14.314 250 HG3 ARG 35 2HG ARG 35 5.903 7.761 14.592 251 HD2 ARG 35 1HD ARG 35 3.775 9.763 15.335 252 HD3 ARG 35 2HD ARG 35 4.460 8.579 16.448 253 HE ARG 35 HE ARG 35 6.509 10.111 15.235 254 HH11 ARG 35 1HH1 ARG 35 4.007 10.289 17.648 255 HH12 ARG 35 2HH1 ARG 35 4.821 11.494 18.591 256 HH21 ARG 35 1HH2 ARG 35 7.590 11.698 16.466 257 HH22 ARG 35 2HH2 ARG 35 6.858 12.295 17.917 258 H GLY 36 H GLY 36 5.487 7.337 9.612 259 HA2 GLY 36 1HA GLY 36 4.352 5.590 8.624 260 HA3 GLY 36 2HA GLY 36 4.011 4.969 10.232 261 H LYS 37 H LYS 37 3.140 8.201 9.208 262 HA LYS 37 HA LYS 37 0.336 7.549 9.672 263 HB2 LYS 37 1HB LYS 37 -0.045 9.859 9.922 264 HB3 LYS 37 2HB LYS 37 1.516 9.577 10.680 265 HG2 LYS 37 1HG LYS 37 2.422 10.210 8.296 266 HG3 LYS 37 2HG LYS 37 0.858 11.018 8.166 267 HD2 LYS 37 1HD LYS 37 2.489 11.446 10.622 268 HD3 LYS 37 2HD LYS 37 2.969 12.267 9.135 269 HE2 LYS 37 1HE LYS 37 0.968 13.465 9.013 270 HE3 LYS 37 2HE LYS 37 0.138 12.370 10.118 271 HZ1 LYS 37 1HZ LYS 37 2.322 14.238 10.868 272 HZ2 LYS 37 2HZ LYS 37 1.498 13.204 11.923 273 HZ3 LYS 37 3HZ LYS 37 0.676 14.479 11.175 274 H ALA 38 H ALA 38 2.489 8.590 7.108 275 HA ALA 38 HA ALA 38 0.585 9.330 5.193 276 HB1 ALA 38 1HB ALA 38 2.451 8.621 3.557 277 HB2 ALA 38 2HB ALA 38 2.764 9.944 4.681 278 HB3 ALA 38 3HB ALA 38 3.402 8.334 5.015 279 H ILE 39 H ILE 39 1.780 6.191 6.181 280 HA ILE 39 HA ILE 39 0.469 4.823 3.987 281 HB ILE 39 HB ILE 39 2.610 3.975 4.858 282 HG12 ILE 39 1HG1 ILE 39 1.710 1.567 5.346 283 HG13 ILE 39 2HG1 ILE 39 0.141 2.275 4.978 284 HG21 ILE 39 1HG2 ILE 39 1.178 3.047 7.320 285 HG22 ILE 39 2HG2 ILE 39 2.911 3.150 7.014 286 HG23 ILE 39 3HG2 ILE 39 1.971 4.621 7.264 287 HD11 ILE 39 1HD1 ILE 39 2.392 2.655 3.068 288 HD12 ILE 39 2HD1 ILE 39 1.539 1.112 3.118 289 HD13 ILE 39 3HD1 ILE 39 0.655 2.598 2.770 290 H ARG 40 H ARG 40 -0.066 5.463 7.391 291 HA ARG 40 HA ARG 40 -2.036 3.613 7.985 292 HB2 ARG 40 1HB ARG 40 -0.928 5.307 9.535 293 HB3 ARG 40 2HB ARG 40 -2.104 6.471 8.941 294 HG2 ARG 40 1HG ARG 40 -3.055 5.693 10.904 295 HG3 ARG 40 2HG ARG 40 -3.866 4.742 9.658 296 HD2 ARG 40 1HD ARG 40 -2.201 2.930 10.059 297 HD3 ARG 40 2HD ARG 40 -1.573 3.872 11.411 298 HE ARG 40 HE ARG 40 -4.408 3.318 11.514 299 HH11 ARG 40 1HH1 ARG 40 -1.208 2.287 12.415 300 HH12 ARG 40 2HH1 ARG 40 -1.753 1.314 13.741 301 HH21 ARG 40 1HH2 ARG 40 -5.139 2.042 13.258 302 HH22 ARG 40 2HH2 ARG 40 -3.989 1.175 14.219 303 H LYS 41 H LYS 41 -2.439 6.874 6.620 304 HA LYS 41 HA LYS 41 -5.224 6.833 6.397 305 HB2 LYS 41 1HB LYS 41 -4.987 8.670 4.854 306 HB3 LYS 41 2HB LYS 41 -3.794 8.851 6.134 307 HG2 LYS 41 1HG LYS 41 -2.075 7.931 4.646 308 HG3 LYS 41 2HG LYS 41 -3.277 7.795 3.361 309 HD2 LYS 41 1HD LYS 41 -3.655 10.319 3.765 310 HD3 LYS 41 2HD LYS 41 -2.099 10.261 4.595 311 HE2 LYS 41 1HE LYS 41 -1.205 9.149 2.483 312 HE3 LYS 41 2HE LYS 41 -2.707 9.657 1.714 313 HZ1 LYS 41 1HZ LYS 41 -1.513 11.488 1.259 314 HZ2 LYS 41 2HZ LYS 41 -0.413 11.237 2.519 315 HZ3 LYS 41 3HZ LYS 41 -1.919 11.938 2.839 316 H ILE 42 H ILE 42 -2.723 5.813 4.103 317 HA ILE 42 HA ILE 42 -4.388 5.209 1.942 318 HB ILE 42 HB ILE 42 -1.761 3.974 2.764 319 HG12 ILE 42 1HG1 ILE 42 -2.354 5.933 0.543 320 HG13 ILE 42 2HG1 ILE 42 -1.870 6.434 2.159 321 HG21 ILE 42 1HG2 ILE 42 -1.911 3.529 0.105 322 HG22 ILE 42 2HG2 ILE 42 -2.348 2.341 1.331 323 HG23 ILE 42 3HG2 ILE 42 -3.600 3.318 0.564 324 HD11 ILE 42 1HD1 ILE 42 0.026 6.435 0.669 325 HD12 ILE 42 2HD1 ILE 42 0.223 5.183 1.896 326 HD13 ILE 42 3HD1 ILE 42 -0.263 4.745 0.258 327 H MET 43 H MET 43 -3.285 3.155 4.621 328 HA MET 43 HA MET 43 -4.481 0.771 3.774 329 HB2 MET 43 1HB MET 43 -3.668 1.828 6.465 330 HB3 MET 43 2HB MET 43 -4.483 0.276 6.322 331 HG2 MET 43 1HG MET 43 -2.671 -0.366 4.677 332 HG3 MET 43 2HG MET 43 -1.818 1.082 5.207 333 HE1 MET 43 1HE MET 43 -0.551 1.398 6.861 334 HE2 MET 43 2HE MET 43 -0.394 0.544 8.396 335 HE3 MET 43 3HE MET 43 0.455 -0.047 6.967 336 H ASP 44 H ASP 44 -5.696 3.221 6.059 337 HA ASP 44 HA ASP 44 -8.187 2.014 6.523 338 HB2 ASP 44 1HB ASP 44 -7.263 4.879 6.728 339 HB3 ASP 44 2HB ASP 44 -8.887 4.374 7.184 340 H GLU 45 H GLU 45 -7.063 4.151 3.984 341 HA GLU 45 HA GLU 45 -9.464 5.016 2.911 342 HB2 GLU 45 1HB GLU 45 -7.213 5.767 2.176 343 HB3 GLU 45 2HB GLU 45 -6.992 4.225 1.362 344 HG2 GLU 45 1HG GLU 45 -7.629 5.927 -0.222 345 HG3 GLU 45 2HG GLU 45 -8.903 4.717 -0.083 346 H PHE 46 H PHE 46 -7.614 2.114 1.977 347 HA PHE 46 HA PHE 46 -10.033 1.068 0.682 348 HB2 PHE 46 1HB PHE 46 -7.238 -0.042 0.435 349 HB3 PHE 46 2HB PHE 46 -8.621 -0.357 -0.608 350 HD1 PHE 46 1HD PHE 46 -6.115 2.160 0.368 351 HD2 PHE 46 2HD PHE 46 -9.169 1.094 -2.398 352 HE1 PHE 46 1HE PHE 46 -5.402 3.987 -1.117 353 HE2 PHE 46 2HE PHE 46 -8.460 2.918 -3.889 354 HZ PHE 46 HZ PHE 46 -6.574 4.368 -3.250 355 H LYS 47 H LYS 47 -8.835 1.003 3.625 356 HA LYS 47 HA LYS 47 -8.882 -0.414 5.406 357 HB2 LYS 47 1HB LYS 47 -10.969 -1.748 3.673 358 HB3 LYS 47 2HB LYS 47 -10.692 -2.136 5.366 359 HG2 LYS 47 1HG LYS 47 -11.356 0.647 4.468 360 HG3 LYS 47 2HG LYS 47 -12.603 -0.551 4.820 361 HD2 LYS 47 1HD LYS 47 -11.709 -0.813 7.084 362 HD3 LYS 47 2HD LYS 47 -10.457 0.380 6.729 363 HE2 LYS 47 1HE LYS 47 -13.410 0.954 6.558 364 HE3 LYS 47 2HE LYS 47 -12.443 1.247 8.004 365 HZ1 LYS 47 1HZ LYS 47 -11.551 3.076 7.122 366 HZ2 LYS 47 2HZ LYS 47 -12.826 3.023 6.013 367 HZ3 LYS 47 3HZ LYS 47 -11.321 2.370 5.601 368 H VAL 48 H VAL 48 -6.860 -0.925 3.483 369 HA VAL 48 HA VAL 48 -6.645 -3.861 3.561 370 HB VAL 48 HB VAL 48 -4.960 -3.675 1.807 371 HG11 VAL 48 1HG1 VAL 48 -7.387 -3.829 1.249 372 HG12 VAL 48 2HG1 VAL 48 -7.397 -2.076 1.042 373 HG13 VAL 48 3HG1 VAL 48 -6.400 -3.084 -0.009 374 HG21 VAL 48 1HG2 VAL 48 -4.632 -1.097 2.692 375 HG22 VAL 48 2HG2 VAL 48 -3.939 -1.773 1.218 376 HG23 VAL 48 3HG2 VAL 48 -5.457 -0.878 1.149 377 H ASP 49 H ASP 49 -4.250 -4.580 3.664 378 HA ASP 49 HA ASP 49 -2.881 -3.006 5.747 379 HB2 ASP 49 1HB ASP 49 -3.758 -4.940 6.832 380 HB3 ASP 49 2HB ASP 49 -3.231 -5.995 5.523 381 H ILE 50 H ILE 50 -1.201 -2.082 4.749 382 HA ILE 50 HA ILE 50 0.264 -3.538 2.692 383 HB ILE 50 HB ILE 50 0.698 -0.720 3.687 384 HG12 ILE 50 1HG1 ILE 50 -0.707 -1.583 1.157 385 HG13 ILE 50 2HG1 ILE 50 -1.565 -1.201 2.646 386 HG21 ILE 50 1HG2 ILE 50 2.077 -2.431 1.769 387 HG22 ILE 50 2HG2 ILE 50 1.602 -0.869 1.103 388 HG23 ILE 50 3HG2 ILE 50 2.610 -0.941 2.548 389 HD11 ILE 50 1HD1 ILE 50 0.336 0.785 1.501 390 HD12 ILE 50 2HD1 ILE 50 -1.272 0.601 0.801 391 HD13 ILE 50 3HD1 ILE 50 -1.095 1.039 2.499 392 H ARG 51 H ARG 51 1.738 -4.928 3.429 393 HA ARG 51 HA ARG 51 3.332 -4.203 5.784 394 HB2 ARG 51 1HB ARG 51 2.049 -6.451 5.521 395 HB3 ARG 51 2HB ARG 51 3.381 -6.898 4.464 396 HG2 ARG 51 1HG ARG 51 4.072 -7.741 6.486 397 HG3 ARG 51 2HG ARG 51 4.868 -6.166 6.463 398 HD2 ARG 51 1HD ARG 51 3.200 -5.227 7.895 399 HD3 ARG 51 2HD ARG 51 2.203 -6.675 7.770 400 HE ARG 51 HE ARG 51 4.800 -7.208 8.846 401 HH11 ARG 51 1HH1 ARG 51 1.594 -6.088 9.612 402 HH12 ARG 51 2HH1 ARG 51 1.693 -6.542 11.281 403 HH21 ARG 51 1HH2 ARG 51 4.943 -7.810 11.042 404 HH22 ARG 51 2HH2 ARG 51 3.598 -7.520 12.094 405 H PHE 52 H PHE 52 5.135 -3.143 5.272 406 HA PHE 52 HA PHE 52 6.440 -3.427 2.742 407 HB2 PHE 52 1HB PHE 52 6.989 -1.882 5.251 408 HB3 PHE 52 2HB PHE 52 8.244 -2.025 4.025 409 HD1 PHE 52 2HD PHE 52 4.852 -0.767 4.712 410 HD2 PHE 52 1HD PHE 52 8.129 -0.805 1.996 411 HE1 PHE 52 2HE PHE 52 3.834 1.092 3.463 412 HE2 PHE 52 1HE PHE 52 7.117 1.055 0.743 413 HZ PHE 52 HZ PHE 52 4.966 2.005 1.475 414 HA PRO 53 HA PRO 53 9.316 -6.639 3.552 415 HB2 PRO 53 1HB PRO 53 11.509 -5.769 2.209 416 HB3 PRO 53 2HB PRO 53 10.060 -6.368 1.395 417 HG2 PRO 53 1HG PRO 53 10.916 -3.545 1.905 418 HG3 PRO 53 2HG PRO 53 10.219 -4.255 0.437 419 HD2 PRO 53 1HD PRO 53 8.751 -2.812 2.197 420 HD3 PRO 53 2HD PRO 53 8.068 -4.156 1.260 421 H GLN 54 H GLN 54 10.237 -7.014 5.462 422 HA GLN 54 HA GLN 54 11.460 -4.977 7.027 423 HB2 GLN 54 1HB GLN 54 11.391 -7.979 7.360 424 HB3 GLN 54 2HB GLN 54 12.050 -6.871 8.555 425 HG2 GLN 54 1HG GLN 54 9.244 -6.558 7.576 426 HG3 GLN 54 2HG GLN 54 9.638 -7.735 8.828 427 HE21 GLN 54 1HE2 GLN 54 11.208 -6.686 10.534 428 HE22 GLN 54 2HE2 GLN 54 10.649 -5.181 11.172 429 H SER 55 H SER 55 13.685 -5.485 8.069 430 HA SER 55 HA SER 55 15.654 -5.160 6.117 431 HB2 SER 55 1HB SER 55 16.011 -6.094 8.975 432 HB3 SER 55 2HB SER 55 17.274 -5.425 7.943 433 HG SER 55 HG SER 55 16.540 -3.483 8.310 434 H GLY 56 H GLY 56 14.083 -7.978 7.121 435 HA2 GLY 56 1HA GLY 56 16.241 -9.640 5.972 436 HA3 GLY 56 2HA GLY 56 15.173 -10.195 7.253 437 H ALA 57 H ALA 57 13.789 -8.276 4.752 438 HA ALA 57 HA ALA 57 12.130 -10.490 3.928 439 HB1 ALA 57 1HB ALA 57 12.108 -7.770 2.666 440 HB2 ALA 57 2HB ALA 57 10.782 -8.919 2.854 441 HB3 ALA 57 3HB ALA 57 11.401 -8.050 4.258 442 HA PRO 58 HA PRO 58 14.392 -11.723 0.365 443 HB2 PRO 58 1HB PRO 58 12.366 -12.670 -1.173 444 HB3 PRO 58 2HB PRO 58 12.966 -13.521 0.255 445 HG2 PRO 58 1HG PRO 58 10.560 -11.763 -0.030 446 HG3 PRO 58 2HG PRO 58 10.722 -13.309 0.823 447 HD2 PRO 58 1HD PRO 58 10.768 -10.925 2.106 448 HD3 PRO 58 2HD PRO 58 11.693 -12.331 2.671 449 H ASP 59 H ASP 59 11.743 -9.470 0.090 450 HA ASP 59 HA ASP 59 12.984 -8.377 -2.343 451 HB2 ASP 59 1HB ASP 59 10.098 -8.992 -1.816 452 HB3 ASP 59 2HB ASP 59 10.524 -7.657 -2.884 453 HA PRO 60 HA PRO 60 12.899 -5.051 0.793 454 HB2 PRO 60 1HB PRO 60 15.120 -3.815 -0.163 455 HB3 PRO 60 2HB PRO 60 15.188 -5.188 0.949 456 HG2 PRO 60 1HG PRO 60 15.525 -5.141 -2.025 457 HG3 PRO 60 2HG PRO 60 16.462 -6.025 -0.807 458 HD2 PRO 60 1HD PRO 60 14.528 -7.202 -2.293 459 HD3 PRO 60 2HD PRO 60 14.887 -7.698 -0.627 460 H ASN 61 H ASN 61 12.230 -5.262 -2.439 461 HA ASN 61 HA ASN 61 11.621 -2.384 -2.605 462 HB2 ASN 61 1HB ASN 61 12.140 -4.053 -5.050 463 HB3 ASN 61 2HB ASN 61 12.221 -2.303 -4.868 464 HD21 ASN 61 1HD2 ASN 61 13.783 -2.044 -2.645 465 HD22 ASN 61 2HD2 ASN 61 15.369 -2.647 -2.973 466 H CYS 62 H CYS 62 10.207 -5.146 -2.007 467 HA CYS 62 HA CYS 62 7.805 -4.489 -3.577 468 HB2 CYS 62 1HB CYS 62 9.130 -6.659 -4.197 469 HB3 CYS 62 2HB CYS 62 8.382 -7.310 -2.744 470 HG CYS 62 HG CYS 62 5.748 -6.716 -3.697 471 H VAL 63 H VAL 63 5.857 -4.581 -2.515 472 HA VAL 63 HA VAL 63 6.010 -5.033 0.394 473 HB VAL 63 HB VAL 63 4.337 -3.387 0.739 474 HG11 VAL 63 1HG1 VAL 63 6.479 -2.390 0.483 475 HG12 VAL 63 2HG1 VAL 63 6.375 -2.466 -1.277 476 HG13 VAL 63 3HG1 VAL 63 5.330 -1.366 -0.377 477 HG21 VAL 63 1HG2 VAL 63 3.632 -3.996 -1.980 478 HG22 VAL 63 2HG2 VAL 63 2.688 -3.173 -0.738 479 HG23 VAL 63 3HG2 VAL 63 3.791 -2.253 -1.762 480 H THR 64 H THR 64 4.137 -5.920 1.435 481 HA THR 64 HA THR 64 2.584 -7.671 -0.352 482 HB THR 64 HB THR 64 3.273 -8.058 2.567 483 HG1 THR 64 1HG THR 64 4.112 -9.472 0.236 484 HG21 THR 64 1HG2 THR 64 1.466 -9.378 2.616 485 HG22 THR 64 2HG2 THR 64 2.350 -10.456 1.536 486 HG23 THR 64 3HG2 THR 64 1.240 -9.258 0.871 487 H VAL 65 H VAL 65 0.746 -6.551 -0.764 488 HA VAL 65 HA VAL 65 -0.660 -5.210 1.409 489 HB VAL 65 HB VAL 65 -1.305 -5.365 -1.539 490 HG11 VAL 65 1HG1 VAL 65 -2.928 -4.612 0.678 491 HG12 VAL 65 2HG1 VAL 65 -2.567 -3.172 -0.276 492 HG13 VAL 65 3HG1 VAL 65 -3.318 -4.573 -1.041 493 HG21 VAL 65 1HG2 VAL 65 0.660 -4.081 -1.284 494 HG22 VAL 65 2HG2 VAL 65 -0.658 -2.917 -1.424 495 HG23 VAL 65 3HG2 VAL 65 0.038 -3.275 0.156 496 H THR 66 H THR 66 -2.353 -6.040 2.449 497 HA THR 66 HA THR 66 -3.504 -8.552 1.434 498 HB THR 66 HB THR 66 -3.874 -7.613 4.258 499 HG1 THR 66 1HG THR 66 -1.604 -7.564 3.821 500 HG21 THR 66 1HG2 THR 66 -3.883 -10.071 4.660 501 HG22 THR 66 2HG2 THR 66 -3.726 -10.316 2.920 502 HG23 THR 66 3HG2 THR 66 -5.163 -9.531 3.575 503 H GLY 67 H GLY 67 -5.809 -8.917 1.846 504 HA2 GLY 67 1HA GLY 67 -7.897 -7.731 2.626 505 HA3 GLY 67 2HA GLY 67 -7.320 -6.386 1.653 506 H LEU 68 H LEU 68 -9.808 -7.326 1.177 507 HA LEU 68 HA LEU 68 -10.229 -9.400 -0.560 508 HB2 LEU 68 1HB LEU 68 -11.479 -6.659 -0.604 509 HB3 LEU 68 2HB LEU 68 -12.094 -8.048 -1.498 510 HG LEU 68 HG LEU 68 -13.470 -8.057 0.335 511 HD11 LEU 68 1HD1 LEU 68 -11.100 -9.676 1.256 512 HD12 LEU 68 2HD1 LEU 68 -12.383 -10.227 0.179 513 HD13 LEU 68 3HD1 LEU 68 -12.751 -9.830 1.858 514 HD21 LEU 68 1HD2 LEU 68 -13.110 -6.822 2.149 515 HD22 LEU 68 2HD2 LEU 68 -11.566 -6.357 1.434 516 HD23 LEU 68 3HD2 LEU 68 -11.646 -7.720 2.551 517 HA PRO 69 HA PRO 69 -8.128 -8.539 -4.319 518 HB2 PRO 69 1HB PRO 69 -9.792 -9.725 -6.107 519 HB3 PRO 69 2HB PRO 69 -8.758 -10.640 -5.003 520 HG2 PRO 69 1HG PRO 69 -11.670 -9.986 -4.768 521 HG3 PRO 69 2HG PRO 69 -10.836 -11.514 -4.432 522 HD2 PRO 69 1HD PRO 69 -11.567 -9.792 -2.474 523 HD3 PRO 69 2HD PRO 69 -10.118 -10.811 -2.358 524 H GLU 70 H GLU 70 -11.339 -7.405 -3.773 525 HA GLU 70 HA GLU 70 -11.431 -5.834 -6.213 526 HB2 GLU 70 1HB GLU 70 -13.622 -5.097 -5.418 527 HB3 GLU 70 2HB GLU 70 -13.493 -6.849 -5.367 528 HG2 GLU 70 1HG GLU 70 -12.983 -6.684 -2.943 529 HG3 GLU 70 2HG GLU 70 -13.292 -4.952 -3.042 530 H ASN 71 H ASN 71 -10.590 -5.450 -2.872 531 HA ASN 71 HA ASN 71 -10.576 -2.542 -3.058 532 HB2 ASN 71 1HB ASN 71 -9.991 -4.449 -0.789 533 HB3 ASN 71 2HB ASN 71 -9.796 -2.704 -0.656 534 HD21 ASN 71 1HD2 ASN 71 -11.518 -4.249 0.932 535 HD22 ASN 71 2HD2 ASN 71 -13.142 -3.763 0.596 536 H VAL 72 H VAL 72 -8.331 -5.246 -2.788 537 HA VAL 72 HA VAL 72 -5.960 -3.860 -2.359 538 HB VAL 72 HB VAL 72 -6.348 -6.367 -4.002 539 HG11 VAL 72 1HG1 VAL 72 -3.838 -5.940 -2.535 540 HG12 VAL 72 2HG1 VAL 72 -4.116 -6.610 -4.144 541 HG13 VAL 72 3HG1 VAL 72 -4.097 -4.862 -3.906 542 HG21 VAL 72 1HG2 VAL 72 -5.273 -6.626 -1.305 543 HG22 VAL 72 2HG2 VAL 72 -6.916 -5.986 -1.339 544 HG23 VAL 72 3HG2 VAL 72 -6.557 -7.533 -2.104 545 H GLU 73 H GLU 73 -7.342 -4.902 -5.479 546 HA GLU 73 HA GLU 73 -5.498 -3.913 -7.221 547 HB2 GLU 73 1HB GLU 73 -7.226 -3.780 -8.876 548 HB3 GLU 73 2HB GLU 73 -7.590 -5.142 -7.825 549 HG2 GLU 73 1HG GLU 73 -9.132 -3.583 -6.564 550 HG3 GLU 73 2HG GLU 73 -8.917 -2.452 -7.900 551 H GLU 74 H GLU 74 -8.164 -2.079 -5.752 552 HA GLU 74 HA GLU 74 -7.658 0.366 -7.018 553 HB2 GLU 74 1HB GLU 74 -8.809 -0.071 -4.257 554 HB3 GLU 74 2HB GLU 74 -8.982 1.379 -5.236 555 HG2 GLU 74 1HG GLU 74 -10.028 -1.338 -5.997 556 HG3 GLU 74 2HG GLU 74 -10.983 -0.063 -5.243 557 H ALA 75 H ALA 75 -6.513 -0.887 -3.899 558 HA ALA 75 HA ALA 75 -5.090 1.349 -3.050 559 HB1 ALA 75 1HB ALA 75 -4.844 0.001 -1.307 560 HB2 ALA 75 2HB ALA 75 -5.332 -1.392 -2.274 561 HB3 ALA 75 3HB ALA 75 -3.636 -0.911 -2.214 562 H ILE 76 H ILE 76 -3.787 -1.527 -4.718 563 HA ILE 76 HA ILE 76 -1.191 -0.796 -5.057 564 HB ILE 76 HB ILE 76 -2.950 -2.142 -7.109 565 HG12 ILE 76 1HG1 ILE 76 -0.977 -3.419 -5.220 566 HG13 ILE 76 2HG1 ILE 76 -2.663 -3.171 -4.782 567 HG21 ILE 76 1HG2 ILE 76 -0.103 -1.422 -7.129 568 HG22 ILE 76 2HG2 ILE 76 -0.455 -3.094 -7.563 569 HG23 ILE 76 3HG2 ILE 76 -1.196 -1.773 -8.467 570 HD11 ILE 76 1HD1 ILE 76 -2.102 -5.445 -5.646 571 HD12 ILE 76 2HD1 ILE 76 -3.404 -4.622 -6.506 572 HD13 ILE 76 3HD1 ILE 76 -1.791 -4.703 -7.215 573 H ASP 77 H ASP 77 -3.772 -0.050 -7.406 574 HA ASP 77 HA ASP 77 -2.337 1.487 -9.174 575 HB2 ASP 77 1HB ASP 77 -4.747 0.796 -9.388 576 HB3 ASP 77 2HB ASP 77 -5.160 2.115 -8.297 577 H HIS 78 H HIS 78 -3.866 2.526 -6.151 578 HA HIS 78 HA HIS 78 -3.169 5.268 -6.434 579 HB2 HIS 78 1HB HIS 78 -4.999 4.668 -4.989 580 HB3 HIS 78 2HB HIS 78 -3.957 3.633 -4.017 581 HD1 HIS 78 1HD HIS 78 -5.412 6.892 -4.009 582 HD2 HIS 78 2HD HIS 78 -1.801 5.289 -2.723 583 HE1 HIS 78 1HE HIS 78 -4.487 8.553 -2.363 584 H ILE 79 H ILE 79 -1.552 2.466 -5.133 585 HA ILE 79 HA ILE 79 0.436 3.851 -3.651 586 HB ILE 79 HB ILE 79 0.386 1.060 -4.792 587 HG12 ILE 79 1HG1 ILE 79 0.118 2.075 -1.954 588 HG13 ILE 79 2HG1 ILE 79 -1.224 1.574 -2.976 589 HG21 ILE 79 1HG2 ILE 79 2.642 1.275 -4.612 590 HG22 ILE 79 2HG2 ILE 79 2.536 2.552 -3.402 591 HG23 ILE 79 3HG2 ILE 79 2.279 0.871 -2.935 592 HD11 ILE 79 1HD1 ILE 79 0.564 -0.013 -1.363 593 HD12 ILE 79 2HD1 ILE 79 -0.976 -0.446 -2.106 594 HD13 ILE 79 3HD1 ILE 79 0.518 -0.577 -3.033 595 H LEU 80 H LEU 80 0.646 2.148 -6.782 596 HA LEU 80 HA LEU 80 3.221 2.961 -7.450 597 HB2 LEU 80 1HB LEU 80 0.859 1.993 -8.959 598 HB3 LEU 80 2HB LEU 80 2.159 2.744 -9.882 599 HG LEU 80 HG LEU 80 2.596 0.425 -8.010 600 HD11 LEU 80 1HD1 LEU 80 2.082 -1.074 -9.610 601 HD12 LEU 80 2HD1 LEU 80 2.620 -0.025 -10.921 602 HD13 LEU 80 3HD1 LEU 80 1.034 0.220 -10.192 603 HD21 LEU 80 1HD2 LEU 80 4.381 2.158 -9.158 604 HD22 LEU 80 2HD2 LEU 80 4.351 0.822 -10.310 605 HD23 LEU 80 3HD2 LEU 80 4.746 0.519 -8.617 606 H ASN 81 H ASN 81 0.146 4.606 -7.837 607 HA ASN 81 HA ASN 81 0.826 6.604 -9.624 608 HB2 ASN 81 1HB ASN 81 -1.429 6.562 -9.050 609 HB3 ASN 81 2HB ASN 81 -1.092 6.477 -7.324 610 HD21 ASN 81 1HD2 ASN 81 -2.293 8.190 -6.686 611 HD22 ASN 81 2HD2 ASN 81 -1.963 9.823 -7.143 612 H LEU 82 H LEU 82 1.194 6.612 -6.087 613 HA LEU 82 HA LEU 82 2.343 9.179 -5.908 614 HB2 LEU 82 1HB LEU 82 2.679 6.814 -4.069 615 HB3 LEU 82 2HB LEU 82 3.079 8.485 -3.678 616 HG LEU 82 HG LEU 82 0.298 7.481 -4.282 617 HD11 LEU 82 1HD1 LEU 82 0.813 8.405 -1.585 618 HD12 LEU 82 2HD1 LEU 82 1.792 7.000 -2.004 619 HD13 LEU 82 3HD1 LEU 82 0.036 6.924 -2.145 620 HD21 LEU 82 1HD2 LEU 82 1.475 10.138 -3.630 621 HD22 LEU 82 2HD2 LEU 82 -0.128 9.744 -3.010 622 HD23 LEU 82 3HD2 LEU 82 0.176 9.720 -4.748 623 H GLU 83 H GLU 83 3.832 5.949 -5.990 624 HA GLU 83 HA GLU 83 6.452 6.436 -5.664 625 HB2 GLU 83 1HB GLU 83 5.641 4.224 -6.215 626 HB3 GLU 83 2HB GLU 83 5.217 4.744 -7.840 627 HG2 GLU 83 1HG GLU 83 8.040 5.018 -6.956 628 HG3 GLU 83 2HG GLU 83 7.428 3.414 -7.355 629 H GLU 84 H GLU 84 4.807 6.831 -8.803 630 HA GLU 84 HA GLU 84 6.966 7.852 -10.226 631 HB2 GLU 84 1HB GLU 84 4.994 7.173 -11.399 632 HB3 GLU 84 2HB GLU 84 4.003 8.334 -10.528 633 HG2 GLU 84 1HG GLU 84 5.487 10.120 -11.608 634 HG3 GLU 84 2HG GLU 84 6.007 8.832 -12.695 635 H GLU 85 H GLU 85 4.514 9.560 -8.317 636 HA GLU 85 HA GLU 85 5.322 12.173 -8.899 637 HB2 GLU 85 1HB GLU 85 3.218 11.789 -7.813 638 HB3 GLU 85 2HB GLU 85 4.002 11.010 -6.446 639 HG2 GLU 85 1HG GLU 85 3.305 13.219 -5.822 640 HG3 GLU 85 2HG GLU 85 5.066 13.151 -5.865 641 H TYR 86 H TYR 86 6.123 10.213 -6.027 642 HA TYR 86 HA TYR 86 7.925 11.971 -4.863 643 HB2 TYR 86 1HB TYR 86 7.785 8.958 -4.800 644 HB3 TYR 86 2HB TYR 86 8.929 9.876 -3.827 645 HD1 TYR 86 2HD TYR 86 7.553 12.042 -2.693 646 HD2 TYR 86 1HD TYR 86 6.024 8.165 -3.552 647 HE1 TYR 86 2HE TYR 86 5.840 12.338 -0.952 648 HE2 TYR 86 1HE TYR 86 4.306 8.451 -1.815 649 HH TYR 86 HH TYR 86 4.326 11.196 0.354 650 H LEU 87 H LEU 87 8.843 9.060 -6.714 651 HA LEU 87 HA LEU 87 11.508 9.433 -6.971 652 HB2 LEU 87 1HB LEU 87 9.448 8.292 -8.778 653 HB3 LEU 87 2HB LEU 87 11.063 8.546 -9.437 654 HG LEU 87 HG LEU 87 10.505 6.918 -6.963 655 HD11 LEU 87 1HD1 LEU 87 9.823 5.243 -8.241 656 HD12 LEU 87 2HD1 LEU 87 11.329 5.318 -9.154 657 HD13 LEU 87 3HD1 LEU 87 9.939 6.273 -9.667 658 HD21 LEU 87 1HD2 LEU 87 12.737 6.183 -7.145 659 HD22 LEU 87 2HD2 LEU 87 12.795 7.935 -7.345 660 HD23 LEU 87 3HD2 LEU 87 12.919 6.881 -8.754 661 H ALA 88 H ALA 88 9.057 10.876 -9.110 662 HA ALA 88 HA ALA 88 10.456 12.177 -10.977 663 HB1 ALA 88 1HB ALA 88 8.676 13.560 -11.251 664 HB2 ALA 88 2HB ALA 88 7.934 12.393 -10.156 665 HB3 ALA 88 3HB ALA 88 8.549 13.923 -9.530 666 H ASP 89 H ASP 89 10.304 13.136 -7.582 667 HA ASP 89 HA ASP 89 12.204 15.307 -8.099 668 HB2 ASP 89 1HB ASP 89 11.702 15.614 -5.501 669 HB3 ASP 89 2HB ASP 89 10.615 16.241 -6.738 670 H SER 90 H SER 90 13.802 13.523 -8.547 671 HA SER 90 HA SER 90 14.936 12.434 -6.061 672 HB2 SER 90 1HB SER 90 16.161 10.859 -7.543 673 HB3 SER 90 2HB SER 90 14.411 10.726 -7.714 674 HG SER 90 HG SER 90 14.581 11.333 -9.717 675 H GLY 91 H GLY 91 15.852 14.020 -9.109 676 HA2 GLY 91 1HA GLY 91 18.541 14.347 -8.795 677 HA3 GLY 91 2HA GLY 91 17.509 15.571 -9.520 678 HA PRO 92 HA PRO 92 18.692 18.291 -6.280 679 HB2 PRO 92 1HB PRO 92 16.622 20.043 -6.398 680 HB3 PRO 92 2HB PRO 92 17.903 19.987 -7.615 681 HG2 PRO 92 1HG PRO 92 15.152 18.811 -7.706 682 HG3 PRO 92 2HG PRO 92 16.041 19.676 -8.973 683 HD2 PRO 92 1HD PRO 92 15.843 16.976 -8.917 684 HD3 PRO 92 2HD PRO 92 17.271 17.816 -9.555 685 H SER 93 H SER 93 18.078 19.019 -4.173 686 HA SER 93 HA SER 93 16.655 17.115 -2.664 687 HB2 SER 93 1HB SER 93 16.921 18.734 -0.786 688 HB3 SER 93 2HB SER 93 18.427 18.425 -1.650 689 HG SER 93 HG SER 93 16.853 20.556 -2.518 690 H SER 94 H SER 94 14.700 17.319 -1.493 691 HA SER 94 HA SER 94 12.702 18.917 -2.901 692 HB2 SER 94 1HB SER 94 11.069 17.511 -1.611 693 HB3 SER 94 2HB SER 94 12.144 16.585 -2.659 694 HG SER 94 HG SER 94 11.971 16.645 0.099 695 H GLY 95 H GLY 95 10.979 19.974 -1.617 696 HA2 GLY 95 1HA GLY 95 10.934 20.558 1.035 697 HA3 GLY 95 2HA GLY 95 12.176 21.635 0.413 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -41.759 1.607 -3.351 2 HA2 GLY 1 1HA GLY 1 -40.053 3.370 -3.131 3 HA3 GLY 1 2HA GLY 1 -40.035 3.018 -1.409 4 H SER 2 H SER 2 -37.656 2.924 -2.084 5 HA SER 2 HA SER 2 -37.005 0.108 -2.607 6 HB2 SER 2 1HB SER 2 -35.940 2.530 -4.014 7 HB3 SER 2 2HB SER 2 -34.891 1.130 -3.790 8 HG SER 2 HG SER 2 -36.932 0.001 -4.679 9 H SER 3 H SER 3 -35.168 -0.676 -1.561 10 HA SER 3 HA SER 3 -34.131 1.080 0.565 11 HB2 SER 3 1HB SER 3 -33.715 -0.995 1.855 12 HB3 SER 3 2HB SER 3 -35.420 -0.791 1.455 13 HG SER 3 HG SER 3 -33.554 -2.454 0.107 14 H GLY 4 H GLY 4 -32.957 1.224 -1.933 15 HA2 GLY 4 1HA GLY 4 -30.508 -0.392 -1.708 16 HA3 GLY 4 2HA GLY 4 -31.052 0.438 -3.159 17 H SER 5 H SER 5 -28.597 0.473 -1.205 18 HA SER 5 HA SER 5 -27.898 3.178 -1.726 19 HB2 SER 5 1HB SER 5 -28.706 2.427 1.080 20 HB3 SER 5 2HB SER 5 -27.581 3.748 0.761 21 HG SER 5 HG SER 5 -29.728 4.499 0.893 22 H SER 6 H SER 6 -25.720 3.693 -1.015 23 HA SER 6 HA SER 6 -23.845 1.790 -1.533 24 HB2 SER 6 1HB SER 6 -22.200 3.236 -0.458 25 HB3 SER 6 2HB SER 6 -23.372 4.217 -1.337 26 HG SER 6 HG SER 6 -24.459 4.498 0.708 27 H GLY 7 H GLY 7 -22.517 0.409 -0.338 28 HA2 GLY 7 1HA GLY 7 -22.951 0.083 2.507 29 HA3 GLY 7 2HA GLY 7 -23.568 -1.234 1.521 30 H ARG 8 H ARG 8 -20.733 0.365 2.733 31 HA ARG 8 HA ARG 8 -18.946 -1.474 1.352 32 HB2 ARG 8 1HB ARG 8 -18.622 1.031 2.922 33 HB3 ARG 8 2HB ARG 8 -17.279 -0.104 2.928 34 HG2 ARG 8 1HG ARG 8 -18.537 0.797 0.364 35 HG3 ARG 8 2HG ARG 8 -17.294 1.757 1.170 36 HD2 ARG 8 1HD ARG 8 -16.839 -1.151 0.650 37 HD3 ARG 8 2HD ARG 8 -16.622 0.019 -0.651 38 HE ARG 8 HE ARG 8 -14.833 -0.474 1.478 39 HH11 ARG 8 1HH1 ARG 8 -16.165 2.125 -0.418 40 HH12 ARG 8 2HH1 ARG 8 -14.785 3.153 -0.216 41 HH21 ARG 8 1HH2 ARG 8 -13.011 0.870 1.751 42 HH22 ARG 8 2HH2 ARG 8 -12.991 2.438 1.017 43 H ILE 9 H ILE 9 -17.259 -2.610 2.619 44 HA ILE 9 HA ILE 9 -17.819 -3.183 5.390 45 HB ILE 9 HB ILE 9 -17.956 -5.681 4.935 46 HG12 ILE 9 1HG1 ILE 9 -19.047 -6.207 2.701 47 HG13 ILE 9 2HG1 ILE 9 -18.542 -4.604 2.175 48 HG21 ILE 9 1HG2 ILE 9 -20.373 -4.266 3.886 49 HG22 ILE 9 2HG2 ILE 9 -20.272 -5.638 4.988 50 HG23 ILE 9 3HG2 ILE 9 -19.846 -4.022 5.551 51 HD11 ILE 9 1HD1 ILE 9 -16.383 -6.174 3.340 52 HD12 ILE 9 2HD1 ILE 9 -17.096 -6.899 1.898 53 HD13 ILE 9 3HD1 ILE 9 -16.444 -5.262 1.833 54 H VAL 10 H VAL 10 -16.305 -5.022 6.155 55 HA VAL 10 HA VAL 10 -13.655 -4.419 5.087 56 HB VAL 10 HB VAL 10 -14.403 -5.942 7.587 57 HG11 VAL 10 1HG1 VAL 10 -12.264 -6.559 7.573 58 HG12 VAL 10 2HG1 VAL 10 -11.895 -5.496 6.214 59 HG13 VAL 10 3HG1 VAL 10 -11.860 -4.867 7.862 60 HG21 VAL 10 1HG2 VAL 10 -13.312 -3.150 7.500 61 HG22 VAL 10 2HG2 VAL 10 -15.046 -3.456 7.407 62 HG23 VAL 10 3HG2 VAL 10 -14.133 -3.980 8.822 63 H GLY 11 H GLY 11 -15.578 -7.277 6.006 64 HA2 GLY 11 1HA GLY 11 -15.718 -9.185 4.547 65 HA3 GLY 11 2HA GLY 11 -14.112 -8.794 3.950 66 H GLU 12 H GLU 12 -14.317 -11.304 4.537 67 HA GLU 12 HA GLU 12 -13.501 -11.710 7.322 68 HB2 GLU 12 1HB GLU 12 -14.545 -13.517 5.172 69 HB3 GLU 12 2HB GLU 12 -13.630 -14.195 6.511 70 HG2 GLU 12 1HG GLU 12 -16.085 -12.490 6.840 71 HG3 GLU 12 2HG GLU 12 -16.094 -14.252 6.812 72 H LEU 13 H LEU 13 -11.521 -12.508 7.892 73 HA LEU 13 HA LEU 13 -9.265 -11.869 6.537 74 HB2 LEU 13 1HB LEU 13 -9.876 -13.959 8.560 75 HB3 LEU 13 2HB LEU 13 -8.296 -13.997 7.780 76 HG LEU 13 HG LEU 13 -9.337 -11.539 9.164 77 HD11 LEU 13 1HD1 LEU 13 -7.818 -13.859 10.333 78 HD12 LEU 13 2HD1 LEU 13 -9.375 -13.216 10.852 79 HD13 LEU 13 3HD1 LEU 13 -7.908 -12.265 11.084 80 HD21 LEU 13 1HD2 LEU 13 -6.486 -12.077 9.170 81 HD22 LEU 13 2HD2 LEU 13 -7.365 -10.638 8.651 82 HD23 LEU 13 3HD2 LEU 13 -7.148 -11.990 7.537 83 H GLU 14 H GLU 14 -10.828 -15.070 6.441 84 HA GLU 14 HA GLU 14 -9.093 -16.293 4.646 85 HB2 GLU 14 1HB GLU 14 -12.051 -16.715 5.082 86 HB3 GLU 14 2HB GLU 14 -11.054 -17.768 4.089 87 HG2 GLU 14 1HG GLU 14 -9.647 -18.238 6.061 88 HG3 GLU 14 2HG GLU 14 -10.740 -17.260 7.038 89 H GLN 15 H GLN 15 -11.987 -14.350 4.021 90 HA GLN 15 HA GLN 15 -12.073 -14.692 1.240 91 HB2 GLN 15 1HB GLN 15 -13.023 -12.447 3.016 92 HB3 GLN 15 2HB GLN 15 -13.318 -12.477 1.282 93 HG2 GLN 15 1HG GLN 15 -14.111 -14.823 2.937 94 HG3 GLN 15 2HG GLN 15 -15.107 -13.369 2.955 95 HE21 GLN 15 1HE2 GLN 15 -16.246 -12.788 1.131 96 HE22 GLN 15 2HE2 GLN 15 -16.452 -13.846 -0.218 97 H MET 16 H MET 16 -10.412 -12.286 3.237 98 HA MET 16 HA MET 16 -9.487 -10.573 1.281 99 HB2 MET 16 1HB MET 16 -7.880 -11.457 3.680 100 HB3 MET 16 2HB MET 16 -7.749 -9.930 2.817 101 HG2 MET 16 1HG MET 16 -10.128 -9.472 3.510 102 HG3 MET 16 2HG MET 16 -9.995 -10.873 4.571 103 HE1 MET 16 1HE MET 16 -10.869 -9.183 6.258 104 HE2 MET 16 2HE MET 16 -9.844 -8.084 7.181 105 HE3 MET 16 3HE MET 16 -10.518 -7.572 5.633 106 H VAL 17 H VAL 17 -7.376 -10.382 0.278 107 HA VAL 17 HA VAL 17 -5.995 -12.943 -0.140 108 HB VAL 17 HB VAL 17 -5.842 -12.593 -2.516 109 HG11 VAL 17 1HG1 VAL 17 -8.696 -12.204 -1.619 110 HG12 VAL 17 2HG1 VAL 17 -8.168 -12.872 -3.165 111 HG13 VAL 17 3HG1 VAL 17 -7.838 -13.744 -1.667 112 HG21 VAL 17 1HG2 VAL 17 -6.863 -10.730 -3.659 113 HG22 VAL 17 2HG2 VAL 17 -7.490 -10.094 -2.138 114 HG23 VAL 17 3HG2 VAL 17 -5.752 -10.118 -2.433 115 H SER 18 H SER 18 -3.808 -12.819 -0.328 116 HA SER 18 HA SER 18 -2.617 -10.190 0.161 117 HB2 SER 18 1HB SER 18 -0.869 -11.266 1.224 118 HB3 SER 18 2HB SER 18 -2.178 -12.408 1.531 119 HG SER 18 HG SER 18 0.073 -12.973 0.423 120 H GLU 19 H GLU 19 -1.804 -9.107 -1.494 121 HA GLU 19 HA GLU 19 -0.742 -10.625 -3.786 122 HB2 GLU 19 1HB GLU 19 -2.395 -8.158 -3.621 123 HB3 GLU 19 2HB GLU 19 -1.186 -8.235 -4.895 124 HG2 GLU 19 1HG GLU 19 -3.318 -10.308 -4.438 125 HG3 GLU 19 2HG GLU 19 -3.429 -8.989 -5.602 126 H ASP 20 H ASP 20 0.990 -9.504 -5.002 127 HA ASP 20 HA ASP 20 2.781 -8.088 -3.143 128 HB2 ASP 20 1HB ASP 20 3.357 -9.914 -5.476 129 HB3 ASP 20 2HB ASP 20 4.594 -8.893 -4.746 130 H VAL 21 H VAL 21 3.409 -6.076 -3.600 131 HA VAL 21 HA VAL 21 2.917 -5.050 -6.321 132 HB VAL 21 HB VAL 21 2.823 -3.217 -3.964 133 HG11 VAL 21 1HG1 VAL 21 2.372 -3.047 -6.762 134 HG12 VAL 21 2HG1 VAL 21 0.846 -2.718 -5.938 135 HG13 VAL 21 3HG1 VAL 21 2.281 -1.767 -5.553 136 HG21 VAL 21 1HG2 VAL 21 0.625 -5.082 -4.824 137 HG22 VAL 21 2HG2 VAL 21 1.311 -4.875 -3.213 138 HG23 VAL 21 3HG2 VAL 21 0.323 -3.597 -3.921 139 HA PRO 22 HA PRO 22 7.306 -4.276 -6.087 140 HB2 PRO 22 1HB PRO 22 7.522 -3.223 -8.580 141 HB3 PRO 22 2HB PRO 22 7.389 -4.960 -8.279 142 HG2 PRO 22 1HG PRO 22 5.270 -3.012 -9.103 143 HG3 PRO 22 2HG PRO 22 5.574 -4.654 -9.700 144 HD2 PRO 22 1HD PRO 22 3.633 -4.096 -7.897 145 HD3 PRO 22 2HD PRO 22 4.512 -5.638 -7.907 146 H LEU 23 H LEU 23 7.451 -2.628 -4.580 147 HA LEU 23 HA LEU 23 7.038 0.102 -5.608 148 HB2 LEU 23 1HB LEU 23 5.537 -0.545 -3.748 149 HB3 LEU 23 2HB LEU 23 6.956 -0.817 -2.738 150 HG LEU 23 HG LEU 23 7.513 1.629 -3.102 151 HD11 LEU 23 1HD1 LEU 23 4.978 2.668 -3.501 152 HD12 LEU 23 2HD1 LEU 23 5.125 1.405 -4.721 153 HD13 LEU 23 3HD1 LEU 23 6.321 2.698 -4.644 154 HD21 LEU 23 1HD2 LEU 23 5.298 0.504 -1.492 155 HD22 LEU 23 2HD2 LEU 23 5.415 2.262 -1.578 156 HD23 LEU 23 3HD2 LEU 23 6.778 1.315 -0.980 157 H ASP 24 H ASP 24 8.874 1.122 -6.016 158 HA ASP 24 HA ASP 24 11.422 0.265 -5.494 159 HB2 ASP 24 1HB ASP 24 10.653 2.199 -6.983 160 HB3 ASP 24 2HB ASP 24 10.713 3.195 -5.531 161 H HIS 25 H HIS 25 12.946 0.561 -3.904 162 HA HIS 25 HA HIS 25 11.947 0.950 -1.248 163 HB2 HIS 25 1HB HIS 25 13.655 -0.704 -1.569 164 HB3 HIS 25 2HB HIS 25 14.727 0.469 -2.330 165 HD1 HIS 25 1HD HIS 25 16.607 0.165 -0.629 166 HD2 HIS 25 2HD HIS 25 12.993 1.298 1.079 167 HE1 HIS 25 1HE HIS 25 17.152 0.790 1.745 168 H ARG 26 H ARG 26 13.149 3.019 -3.638 169 HA ARG 26 HA ARG 26 14.371 4.957 -1.911 170 HB2 ARG 26 1HB ARG 26 13.710 4.774 -4.806 171 HB3 ARG 26 2HB ARG 26 13.922 6.381 -4.124 172 HG2 ARG 26 1HG ARG 26 16.142 5.569 -3.232 173 HG3 ARG 26 2HG ARG 26 15.919 4.143 -4.248 174 HD2 ARG 26 1HD ARG 26 15.466 5.967 -6.100 175 HD3 ARG 26 2HD ARG 26 16.428 6.973 -5.017 176 HE ARG 26 HE ARG 26 18.267 5.879 -5.785 177 HH11 ARG 26 1HH1 ARG 26 15.511 3.792 -6.189 178 HH12 ARG 26 2HH1 ARG 26 16.414 2.531 -6.962 179 HH21 ARG 26 1HH2 ARG 26 19.468 4.228 -6.801 180 HH22 ARG 26 2HH2 ARG 26 18.665 2.780 -7.309 181 H VAL 27 H VAL 27 11.170 4.188 -2.815 182 HA VAL 27 HA VAL 27 10.213 6.798 -1.836 183 HB VAL 27 HB VAL 27 8.153 6.431 -3.049 184 HG11 VAL 27 1HG1 VAL 27 9.903 7.516 -4.289 185 HG12 VAL 27 2HG1 VAL 27 10.606 5.961 -4.738 186 HG13 VAL 27 3HG1 VAL 27 9.029 6.433 -5.372 187 HG21 VAL 27 1HG2 VAL 27 7.574 4.500 -4.180 188 HG22 VAL 27 2HG2 VAL 27 9.244 3.949 -4.310 189 HG23 VAL 27 3HG2 VAL 27 8.402 3.857 -2.763 190 H HIS 28 H HIS 28 10.819 3.874 -0.687 191 HA HIS 28 HA HIS 28 8.439 2.942 0.455 192 HB2 HIS 28 1HB HIS 28 11.341 2.603 1.061 193 HB3 HIS 28 2HB HIS 28 10.172 2.079 2.270 194 HD2 HIS 28 2HD HIS 28 8.943 1.436 -1.293 195 HE1 HIS 28 1HE HIS 28 10.591 -2.205 0.130 196 HE2 HIS 28 2HE HIS 28 9.308 -1.088 -1.727 197 H ALA 29 H ALA 29 11.013 4.856 2.023 198 HA ALA 29 HA ALA 29 9.553 5.389 4.369 199 HB1 ALA 29 1HB ALA 29 11.414 6.434 5.056 200 HB2 ALA 29 2HB ALA 29 12.128 5.776 3.583 201 HB3 ALA 29 3HB ALA 29 11.512 7.429 3.603 202 H ARG 30 H ARG 30 9.954 7.233 1.372 203 HA ARG 30 HA ARG 30 8.704 9.594 2.101 204 HB2 ARG 30 1HB ARG 30 9.111 8.148 -0.468 205 HB3 ARG 30 2HB ARG 30 7.942 9.463 -0.455 206 HG2 ARG 30 1HG ARG 30 9.630 11.014 0.292 207 HG3 ARG 30 2HG ARG 30 10.809 9.708 0.430 208 HD2 ARG 30 1HD ARG 30 10.552 9.299 -2.008 209 HD3 ARG 30 2HD ARG 30 9.499 10.711 -2.094 210 HE ARG 30 HE ARG 30 11.713 11.734 -0.981 211 HH11 ARG 30 1HH1 ARG 30 11.237 9.701 -3.767 212 HH12 ARG 30 2HH1 ARG 30 12.616 10.318 -4.616 213 HH21 ARG 30 1HH2 ARG 30 13.531 12.554 -2.088 214 HH22 ARG 30 2HH2 ARG 30 13.920 11.941 -3.659 215 H ILE 31 H ILE 31 7.300 6.517 1.149 216 HA ILE 31 HA ILE 31 4.606 7.581 1.128 217 HB ILE 31 HB ILE 31 5.685 4.789 0.773 218 HG12 ILE 31 1HG1 ILE 31 4.193 6.558 -1.168 219 HG13 ILE 31 2HG1 ILE 31 5.949 6.506 -1.066 220 HG21 ILE 31 1HG2 ILE 31 3.062 5.592 1.580 221 HG22 ILE 31 2HG2 ILE 31 2.994 4.902 -0.041 222 HG23 ILE 31 3HG2 ILE 31 3.688 3.970 1.286 223 HD11 ILE 31 1HD1 ILE 31 6.049 4.331 -1.878 224 HD12 ILE 31 2HD1 ILE 31 4.349 4.020 -1.522 225 HD13 ILE 31 3HD1 ILE 31 4.790 5.092 -2.851 226 H ILE 32 H ILE 32 6.436 5.221 3.068 227 HA ILE 32 HA ILE 32 4.601 4.433 4.900 228 HB ILE 32 HB ILE 32 7.490 5.154 5.355 229 HG12 ILE 32 1HG1 ILE 32 6.179 2.437 5.287 230 HG13 ILE 32 2HG1 ILE 32 6.801 3.222 3.840 231 HG21 ILE 32 1HG2 ILE 32 7.242 3.746 7.447 232 HG22 ILE 32 2HG2 ILE 32 6.539 5.362 7.502 233 HG23 ILE 32 3HG2 ILE 32 5.501 3.957 7.264 234 HD11 ILE 32 1HD1 ILE 32 8.281 1.523 5.070 235 HD12 ILE 32 2HD1 ILE 32 9.000 3.044 4.541 236 HD13 ILE 32 3HD1 ILE 32 8.548 2.824 6.231 237 H GLY 33 H GLY 33 6.553 7.407 5.155 238 HA2 GLY 33 1HA GLY 33 5.596 9.479 5.880 239 HA3 GLY 33 2HA GLY 33 4.395 8.568 6.783 240 H ALA 34 H ALA 34 6.078 10.714 7.741 241 HA ALA 34 HA ALA 34 8.314 10.033 9.158 242 HB1 ALA 34 1HB ALA 34 7.765 12.277 9.255 243 HB2 ALA 34 2HB ALA 34 6.098 11.955 9.732 244 HB3 ALA 34 3HB ALA 34 7.405 11.733 10.894 245 H ARG 35 H ARG 35 5.029 10.003 10.560 246 HA ARG 35 HA ARG 35 5.977 8.033 12.524 247 HB2 ARG 35 1HB ARG 35 3.883 10.156 12.569 248 HB3 ARG 35 2HB ARG 35 3.626 8.719 13.550 249 HG2 ARG 35 1HG ARG 35 6.174 10.288 13.706 250 HG3 ARG 35 2HG ARG 35 4.747 10.733 14.644 251 HD2 ARG 35 1HD ARG 35 4.768 8.246 15.379 252 HD3 ARG 35 2HD ARG 35 6.441 8.272 14.823 253 HE ARG 35 HE ARG 35 6.168 10.451 16.484 254 HH11 ARG 35 1HH1 ARG 35 5.798 7.000 16.755 255 HH12 ARG 35 2HH1 ARG 35 6.233 6.954 18.431 256 HH21 ARG 35 1HH2 ARG 35 6.742 10.404 18.691 257 HH22 ARG 35 2HH2 ARG 35 6.769 8.891 19.532 258 H GLY 36 H GLY 36 5.071 7.553 9.691 259 HA2 GLY 36 1HA GLY 36 4.000 5.809 8.634 260 HA3 GLY 36 2HA GLY 36 3.569 5.186 10.219 261 H LYS 37 H LYS 37 2.697 8.432 9.407 262 HA LYS 37 HA LYS 37 -0.099 7.784 9.679 263 HB2 LYS 37 1HB LYS 37 0.964 9.854 10.628 264 HB3 LYS 37 2HB LYS 37 1.145 10.448 8.982 265 HG2 LYS 37 1HG LYS 37 -1.394 10.097 8.798 266 HG3 LYS 37 2HG LYS 37 -1.361 10.016 10.561 267 HD2 LYS 37 1HD LYS 37 -1.720 12.258 10.270 268 HD3 LYS 37 2HD LYS 37 0.045 12.232 10.294 269 HE2 LYS 37 1HE LYS 37 -0.553 13.581 8.455 270 HE3 LYS 37 2HE LYS 37 -0.060 12.032 7.773 271 HZ1 LYS 37 1HZ LYS 37 -2.879 12.814 8.281 272 HZ2 LYS 37 2HZ LYS 37 -2.342 11.421 7.486 273 HZ3 LYS 37 3HZ LYS 37 -2.110 12.940 6.779 274 H ALA 38 H ALA 38 1.973 9.131 7.122 275 HA ALA 38 HA ALA 38 0.126 9.573 5.144 276 HB1 ALA 38 1HB ALA 38 2.396 10.204 4.801 277 HB2 ALA 38 2HB ALA 38 2.942 8.530 4.914 278 HB3 ALA 38 3HB ALA 38 1.975 9.051 3.534 279 H ILE 39 H ILE 39 1.645 6.500 6.030 280 HA ILE 39 HA ILE 39 0.278 5.044 3.952 281 HB ILE 39 HB ILE 39 2.548 4.431 4.917 282 HG12 ILE 39 1HG1 ILE 39 2.113 2.003 4.721 283 HG13 ILE 39 2HG1 ILE 39 0.385 2.315 4.840 284 HG21 ILE 39 1HG2 ILE 39 1.019 3.010 7.060 285 HG22 ILE 39 2HG2 ILE 39 2.743 3.366 6.967 286 HG23 ILE 39 3HG2 ILE 39 1.593 4.659 7.308 287 HD11 ILE 39 1HD1 ILE 39 2.001 3.621 2.699 288 HD12 ILE 39 2HD1 ILE 39 1.456 1.952 2.523 289 HD13 ILE 39 3HD1 ILE 39 0.278 3.247 2.734 290 H ARG 40 H ARG 40 -0.467 6.089 7.104 291 HA ARG 40 HA ARG 40 -2.250 3.974 7.826 292 HB2 ARG 40 1HB ARG 40 -1.071 5.721 9.346 293 HB3 ARG 40 2HB ARG 40 -2.424 6.762 8.924 294 HG2 ARG 40 1HG ARG 40 -3.156 5.819 10.882 295 HG3 ARG 40 2HG ARG 40 -3.869 4.737 9.685 296 HD2 ARG 40 1HD ARG 40 -2.847 3.491 11.524 297 HD3 ARG 40 2HD ARG 40 -2.036 3.165 9.993 298 HE ARG 40 HE ARG 40 -0.806 5.260 11.527 299 HH11 ARG 40 1HH1 ARG 40 -0.983 1.823 11.002 300 HH12 ARG 40 2HH1 ARG 40 0.601 1.514 11.632 301 HH21 ARG 40 1HH2 ARG 40 1.281 4.866 12.359 302 HH22 ARG 40 2HH2 ARG 40 1.888 3.245 12.404 303 H LYS 41 H LYS 41 -2.643 7.198 6.415 304 HA LYS 41 HA LYS 41 -5.462 7.192 6.350 305 HB2 LYS 41 1HB LYS 41 -5.304 9.150 5.106 306 HB3 LYS 41 2HB LYS 41 -3.789 9.143 5.999 307 HG2 LYS 41 1HG LYS 41 -2.576 8.404 4.085 308 HG3 LYS 41 2HG LYS 41 -4.068 8.124 3.182 309 HD2 LYS 41 1HD LYS 41 -4.555 10.554 3.339 310 HD3 LYS 41 2HD LYS 41 -2.984 10.783 4.112 311 HE2 LYS 41 1HE LYS 41 -3.165 9.392 1.472 312 HE3 LYS 41 2HE LYS 41 -3.241 11.152 1.545 313 HZ1 LYS 41 1HZ LYS 41 -1.110 10.257 3.143 314 HZ2 LYS 41 2HZ LYS 41 -1.054 11.221 1.754 315 HZ3 LYS 41 3HZ LYS 41 -0.975 9.536 1.618 316 H ILE 42 H ILE 42 -3.031 5.928 4.167 317 HA ILE 42 HA ILE 42 -4.771 5.458 1.969 318 HB ILE 42 HB ILE 42 -2.133 4.165 2.671 319 HG12 ILE 42 1HG1 ILE 42 -2.748 6.317 0.638 320 HG13 ILE 42 2HG1 ILE 42 -2.143 6.647 2.258 321 HG21 ILE 42 1HG2 ILE 42 -3.568 4.145 0.022 322 HG22 ILE 42 2HG2 ILE 42 -2.051 3.340 0.421 323 HG23 ILE 42 3HG2 ILE 42 -3.558 2.797 1.159 324 HD11 ILE 42 1HD1 ILE 42 -0.121 5.379 1.761 325 HD12 ILE 42 2HD1 ILE 42 -0.729 5.048 0.138 326 HD13 ILE 42 3HD1 ILE 42 -0.356 6.703 0.620 327 H MET 43 H MET 43 -3.407 3.270 4.434 328 HA MET 43 HA MET 43 -4.662 0.933 3.663 329 HB2 MET 43 1HB MET 43 -3.843 1.944 6.379 330 HB3 MET 43 2HB MET 43 -4.529 0.341 6.152 331 HG2 MET 43 1HG MET 43 -2.673 0.009 4.417 332 HG3 MET 43 2HG MET 43 -1.929 1.429 5.148 333 HE1 MET 43 1HE MET 43 -0.683 0.496 8.440 334 HE2 MET 43 2HE MET 43 0.233 0.579 6.935 335 HE3 MET 43 3HE MET 43 -1.087 1.712 7.228 336 H ASP 44 H ASP 44 -5.867 3.474 5.824 337 HA ASP 44 HA ASP 44 -8.308 2.190 6.454 338 HB2 ASP 44 1HB ASP 44 -7.199 4.935 6.752 339 HB3 ASP 44 2HB ASP 44 -8.947 4.754 6.861 340 H GLU 45 H GLU 45 -7.364 4.464 3.928 341 HA GLU 45 HA GLU 45 -9.804 5.194 2.900 342 HB2 GLU 45 1HB GLU 45 -7.750 6.123 2.035 343 HB3 GLU 45 2HB GLU 45 -7.250 4.554 1.421 344 HG2 GLU 45 1HG GLU 45 -8.726 4.619 -0.343 345 HG3 GLU 45 2HG GLU 45 -9.798 5.764 0.460 346 H PHE 46 H PHE 46 -7.862 2.445 1.711 347 HA PHE 46 HA PHE 46 -10.273 1.302 0.520 348 HB2 PHE 46 1HB PHE 46 -7.468 0.218 0.292 349 HB3 PHE 46 2HB PHE 46 -8.838 -0.085 -0.771 350 HD1 PHE 46 1HD PHE 46 -6.249 2.323 0.188 351 HD2 PHE 46 2HD PHE 46 -9.459 1.483 -2.477 352 HE1 PHE 46 1HE PHE 46 -5.518 4.166 -1.268 353 HE2 PHE 46 2HE PHE 46 -8.733 3.324 -3.939 354 HZ PHE 46 HZ PHE 46 -6.759 4.668 -3.335 355 H LYS 47 H LYS 47 -8.972 1.241 3.458 356 HA LYS 47 HA LYS 47 -8.998 -0.176 5.239 357 HB2 LYS 47 1HB LYS 47 -11.028 -1.822 3.749 358 HB3 LYS 47 2HB LYS 47 -10.903 -1.542 5.481 359 HG2 LYS 47 1HG LYS 47 -11.424 0.762 3.664 360 HG3 LYS 47 2HG LYS 47 -12.738 -0.343 4.072 361 HD2 LYS 47 1HD LYS 47 -11.027 0.777 6.249 362 HD3 LYS 47 2HD LYS 47 -12.293 1.779 5.536 363 HE2 LYS 47 1HE LYS 47 -12.969 -0.992 6.391 364 HE3 LYS 47 2HE LYS 47 -12.768 0.247 7.628 365 HZ1 LYS 47 1HZ LYS 47 -14.928 -0.160 5.804 366 HZ2 LYS 47 2HZ LYS 47 -14.343 1.426 5.735 367 HZ3 LYS 47 3HZ LYS 47 -14.869 0.782 7.208 368 H VAL 48 H VAL 48 -6.900 -0.693 3.628 369 HA VAL 48 HA VAL 48 -6.782 -3.638 3.532 370 HB VAL 48 HB VAL 48 -4.943 -3.350 1.860 371 HG11 VAL 48 1HG1 VAL 48 -6.418 -2.932 -0.020 372 HG12 VAL 48 2HG1 VAL 48 -7.252 -3.894 1.202 373 HG13 VAL 48 3HG1 VAL 48 -7.599 -2.172 1.047 374 HG21 VAL 48 1HG2 VAL 48 -4.603 -0.899 2.593 375 HG22 VAL 48 2HG2 VAL 48 -4.439 -1.298 0.883 376 HG23 VAL 48 3HG2 VAL 48 -5.919 -0.543 1.474 377 H ASP 49 H ASP 49 -4.435 -4.431 3.701 378 HA ASP 49 HA ASP 49 -3.026 -2.884 5.777 379 HB2 ASP 49 1HB ASP 49 -3.746 -5.788 5.681 380 HB3 ASP 49 2HB ASP 49 -2.272 -5.297 6.510 381 H ILE 50 H ILE 50 -1.310 -2.067 4.738 382 HA ILE 50 HA ILE 50 0.081 -3.600 2.709 383 HB ILE 50 HB ILE 50 0.794 -0.890 3.833 384 HG12 ILE 50 1HG1 ILE 50 -0.536 -1.264 1.184 385 HG13 ILE 50 2HG1 ILE 50 -1.529 -1.322 2.636 386 HG21 ILE 50 1HG2 ILE 50 2.653 -1.190 2.643 387 HG22 ILE 50 2HG2 ILE 50 2.019 -2.649 1.884 388 HG23 ILE 50 3HG2 ILE 50 1.642 -1.067 1.204 389 HD11 ILE 50 1HD1 ILE 50 0.036 0.956 1.509 390 HD12 ILE 50 2HD1 ILE 50 -1.657 0.891 2.000 391 HD13 ILE 50 3HD1 ILE 50 -0.384 0.915 3.221 392 H ARG 51 H ARG 51 2.171 -4.368 2.837 393 HA ARG 51 HA ARG 51 3.488 -4.226 5.462 394 HB2 ARG 51 1HB ARG 51 2.183 -6.437 4.833 395 HB3 ARG 51 2HB ARG 51 3.633 -6.761 3.891 396 HG2 ARG 51 1HG ARG 51 3.587 -6.172 6.844 397 HG3 ARG 51 2HG ARG 51 3.695 -7.780 6.126 398 HD2 ARG 51 1HD ARG 51 5.814 -7.285 5.152 399 HD3 ARG 51 2HD ARG 51 5.673 -5.579 5.573 400 HE ARG 51 HE ARG 51 6.650 -7.660 7.235 401 HH11 ARG 51 1HH1 ARG 51 4.818 -4.701 7.301 402 HH12 ARG 51 2HH1 ARG 51 5.231 -4.329 8.942 403 HH21 ARG 51 1HH2 ARG 51 7.200 -7.182 9.396 404 HH22 ARG 51 2HH2 ARG 51 6.587 -5.740 10.132 405 H PHE 52 H PHE 52 5.416 -3.331 5.213 406 HA PHE 52 HA PHE 52 6.732 -3.382 2.622 407 HB2 PHE 52 1HB PHE 52 7.339 -1.932 5.201 408 HB3 PHE 52 2HB PHE 52 8.378 -1.847 3.782 409 HD1 PHE 52 2HD PHE 52 5.075 -0.976 5.142 410 HD2 PHE 52 1HD PHE 52 7.790 -0.523 1.895 411 HE1 PHE 52 2HE PHE 52 3.699 0.859 4.251 412 HE2 PHE 52 1HE PHE 52 6.419 1.313 1.000 413 HZ PHE 52 HZ PHE 52 4.369 2.005 2.177 414 HA PRO 53 HA PRO 53 9.607 -6.573 3.537 415 HB2 PRO 53 1HB PRO 53 11.741 -5.756 2.071 416 HB3 PRO 53 2HB PRO 53 10.274 -6.422 1.344 417 HG2 PRO 53 1HG PRO 53 11.103 -3.562 1.657 418 HG3 PRO 53 2HG PRO 53 10.368 -4.367 0.258 419 HD2 PRO 53 1HD PRO 53 8.938 -2.842 1.979 420 HD3 PRO 53 2HD PRO 53 8.245 -4.249 1.147 421 H GLN 54 H GLN 54 10.673 -6.868 5.383 422 HA GLN 54 HA GLN 54 11.881 -4.716 6.814 423 HB2 GLN 54 1HB GLN 54 11.759 -7.691 7.262 424 HB3 GLN 54 2HB GLN 54 12.666 -6.627 8.329 425 HG2 GLN 54 1HG GLN 54 10.635 -5.392 8.846 426 HG3 GLN 54 2HG GLN 54 9.718 -6.426 7.752 427 HE21 GLN 54 1HE2 GLN 54 11.237 -6.152 10.840 428 HE22 GLN 54 2HE2 GLN 54 10.639 -7.631 11.503 429 H SER 55 H SER 55 14.167 -5.297 7.843 430 HA SER 55 HA SER 55 16.049 -4.959 5.774 431 HB2 SER 55 1HB SER 55 16.403 -5.620 8.704 432 HB3 SER 55 2HB SER 55 17.745 -5.261 7.617 433 HG SER 55 HG SER 55 17.295 -3.306 8.358 434 H GLY 56 H GLY 56 14.622 -7.758 7.079 435 HA2 GLY 56 1HA GLY 56 16.790 -9.448 6.007 436 HA3 GLY 56 2HA GLY 56 15.639 -9.957 7.234 437 H ALA 57 H ALA 57 14.098 -8.150 4.873 438 HA ALA 57 HA ALA 57 12.705 -10.454 3.880 439 HB1 ALA 57 1HB ALA 57 11.102 -8.984 3.432 440 HB2 ALA 57 2HB ALA 57 12.140 -7.736 4.122 441 HB3 ALA 57 3HB ALA 57 12.171 -8.048 2.387 442 HA PRO 58 HA PRO 58 15.095 -11.300 0.288 443 HB2 PRO 58 1HB PRO 58 13.177 -12.372 -1.307 444 HB3 PRO 58 2HB PRO 58 13.854 -13.223 0.087 445 HG2 PRO 58 1HG PRO 58 11.287 -11.698 -0.139 446 HG3 PRO 58 2HG PRO 58 11.597 -13.257 0.647 447 HD2 PRO 58 1HD PRO 58 11.405 -10.940 2.034 448 HD3 PRO 58 2HD PRO 58 12.461 -12.273 2.543 449 H ASP 59 H ASP 59 11.988 -9.661 -0.231 450 HA ASP 59 HA ASP 59 13.181 -8.265 -2.533 451 HB2 ASP 59 1HB ASP 59 10.243 -8.609 -1.898 452 HB3 ASP 59 2HB ASP 59 10.929 -7.908 -3.362 453 HA PRO 60 HA PRO 60 12.967 -4.995 0.654 454 HB2 PRO 60 1HB PRO 60 15.045 -3.579 -0.370 455 HB3 PRO 60 2HB PRO 60 15.264 -4.956 0.717 456 HG2 PRO 60 1HG PRO 60 15.474 -4.846 -2.268 457 HG3 PRO 60 2HG PRO 60 16.526 -5.670 -1.101 458 HD2 PRO 60 1HD PRO 60 14.629 -6.974 -2.528 459 HD3 PRO 60 2HD PRO 60 15.092 -7.462 -0.885 460 H ASN 61 H ASN 61 12.311 -5.183 -2.619 461 HA ASN 61 HA ASN 61 11.413 -2.377 -2.684 462 HB2 ASN 61 1HB ASN 61 11.587 -2.739 -5.258 463 HB3 ASN 61 2HB ASN 61 13.053 -2.413 -4.338 464 HD21 ASN 61 1HD2 ASN 61 14.637 -3.906 -4.268 465 HD22 ASN 61 2HD2 ASN 61 14.576 -5.427 -5.086 466 H CYS 62 H CYS 62 10.220 -5.199 -2.059 467 HA CYS 62 HA CYS 62 7.796 -4.810 -3.688 468 HB2 CYS 62 1HB CYS 62 9.237 -6.916 -4.137 469 HB3 CYS 62 2HB CYS 62 8.608 -7.492 -2.598 470 HG CYS 62 HG CYS 62 6.648 -8.648 -3.789 471 H VAL 63 H VAL 63 5.859 -4.824 -2.647 472 HA VAL 63 HA VAL 63 5.931 -5.201 0.277 473 HB VAL 63 HB VAL 63 4.281 -3.474 0.542 474 HG11 VAL 63 1HG1 VAL 63 6.834 -2.953 -0.771 475 HG12 VAL 63 2HG1 VAL 63 5.675 -1.634 -0.937 476 HG13 VAL 63 3HG1 VAL 63 6.126 -2.216 0.666 477 HG21 VAL 63 1HG2 VAL 63 3.337 -2.227 -1.280 478 HG22 VAL 63 2HG2 VAL 63 4.344 -3.083 -2.448 479 HG23 VAL 63 3HG2 VAL 63 3.071 -3.944 -1.583 480 H THR 64 H THR 64 4.089 -6.098 1.268 481 HA THR 64 HA THR 64 2.412 -7.671 -0.568 482 HB THR 64 HB THR 64 3.035 -8.185 2.347 483 HG1 THR 64 1HG THR 64 3.959 -9.398 -0.060 484 HG21 THR 64 1HG2 THR 64 1.470 -9.801 0.332 485 HG22 THR 64 2HG2 THR 64 0.834 -9.021 1.780 486 HG23 THR 64 3HG2 THR 64 1.954 -10.374 1.927 487 H VAL 65 H VAL 65 0.494 -6.752 -0.897 488 HA VAL 65 HA VAL 65 -0.782 -5.258 1.278 489 HB VAL 65 HB VAL 65 -1.485 -5.396 -1.658 490 HG11 VAL 65 1HG1 VAL 65 -2.584 -3.242 0.011 491 HG12 VAL 65 2HG1 VAL 65 -3.340 -4.181 -1.278 492 HG13 VAL 65 3HG1 VAL 65 -3.221 -4.851 0.350 493 HG21 VAL 65 1HG2 VAL 65 0.540 -4.186 -1.414 494 HG22 VAL 65 2HG2 VAL 65 -0.741 -2.986 -1.587 495 HG23 VAL 65 3HG2 VAL 65 -0.062 -3.328 0.004 496 H THR 66 H THR 66 -2.333 -6.169 2.440 497 HA THR 66 HA THR 66 -3.597 -8.621 1.452 498 HB THR 66 HB THR 66 -3.912 -7.533 4.238 499 HG1 THR 66 1HG THR 66 -1.906 -8.034 4.659 500 HG21 THR 66 1HG2 THR 66 -4.112 -10.252 2.957 501 HG22 THR 66 2HG2 THR 66 -5.373 -9.342 3.790 502 HG23 THR 66 3HG2 THR 66 -4.029 -10.025 4.704 503 H GLY 67 H GLY 67 -5.914 -8.942 1.881 504 HA2 GLY 67 1HA GLY 67 -8.007 -7.749 2.560 505 HA3 GLY 67 2HA GLY 67 -7.395 -6.397 1.618 506 H LEU 68 H LEU 68 -9.887 -7.380 1.098 507 HA LEU 68 HA LEU 68 -10.280 -9.407 -0.673 508 HB2 LEU 68 1HB LEU 68 -11.489 -6.663 -0.563 509 HB3 LEU 68 2HB LEU 68 -12.020 -7.860 -1.742 510 HG LEU 68 HG LEU 68 -13.530 -7.798 0.152 511 HD11 LEU 68 1HD1 LEU 68 -11.897 -10.317 0.330 512 HD12 LEU 68 2HD1 LEU 68 -12.976 -9.955 -1.017 513 HD13 LEU 68 3HD1 LEU 68 -13.626 -10.120 0.614 514 HD21 LEU 68 1HD2 LEU 68 -11.707 -7.023 1.754 515 HD22 LEU 68 2HD2 LEU 68 -11.279 -8.727 1.911 516 HD23 LEU 68 3HD2 LEU 68 -12.888 -8.175 2.378 517 HA PRO 69 HA PRO 69 -8.045 -8.581 -4.362 518 HB2 PRO 69 1HB PRO 69 -9.667 -9.747 -6.202 519 HB3 PRO 69 2HB PRO 69 -8.682 -10.674 -5.064 520 HG2 PRO 69 1HG PRO 69 -11.591 -9.979 -4.923 521 HG3 PRO 69 2HG PRO 69 -10.789 -11.519 -4.559 522 HD2 PRO 69 1HD PRO 69 -11.558 -9.784 -2.628 523 HD3 PRO 69 2HD PRO 69 -10.128 -10.823 -2.463 524 H GLU 70 H GLU 70 -11.329 -7.496 -4.019 525 HA GLU 70 HA GLU 70 -11.258 -5.875 -6.420 526 HB2 GLU 70 1HB GLU 70 -13.505 -5.180 -5.785 527 HB3 GLU 70 2HB GLU 70 -13.360 -6.931 -5.711 528 HG2 GLU 70 1HG GLU 70 -12.965 -6.683 -3.240 529 HG3 GLU 70 2HG GLU 70 -13.420 -4.990 -3.420 530 H ASN 71 H ASN 71 -10.779 -5.503 -2.985 531 HA ASN 71 HA ASN 71 -10.786 -2.612 -3.104 532 HB2 ASN 71 1HB ASN 71 -10.293 -4.622 -0.918 533 HB3 ASN 71 2HB ASN 71 -9.951 -2.911 -0.678 534 HD21 ASN 71 1HD2 ASN 71 -11.781 -4.237 0.874 535 HD22 ASN 71 2HD2 ASN 71 -13.368 -3.653 0.520 536 H VAL 72 H VAL 72 -8.430 -5.224 -2.861 537 HA VAL 72 HA VAL 72 -6.143 -3.683 -2.374 538 HB VAL 72 HB VAL 72 -6.446 -6.320 -3.810 539 HG11 VAL 72 1HG1 VAL 72 -4.112 -4.594 -3.476 540 HG12 VAL 72 2HG1 VAL 72 -3.869 -6.243 -2.899 541 HG13 VAL 72 3HG1 VAL 72 -4.370 -5.956 -4.565 542 HG21 VAL 72 1HG2 VAL 72 -5.191 -5.992 -1.133 543 HG22 VAL 72 2HG2 VAL 72 -6.947 -5.894 -1.254 544 HG23 VAL 72 3HG2 VAL 72 -6.106 -7.347 -1.793 545 H GLU 73 H GLU 73 -7.379 -4.939 -5.476 546 HA GLU 73 HA GLU 73 -5.559 -3.955 -7.229 547 HB2 GLU 73 1HB GLU 73 -7.430 -3.706 -8.864 548 HB3 GLU 73 2HB GLU 73 -7.422 -5.246 -8.016 549 HG2 GLU 73 1HG GLU 73 -9.192 -4.495 -6.556 550 HG3 GLU 73 2HG GLU 73 -9.158 -2.896 -7.297 551 H GLU 74 H GLU 74 -8.188 -2.129 -5.720 552 HA GLU 74 HA GLU 74 -7.744 0.284 -7.123 553 HB2 GLU 74 1HB GLU 74 -8.984 -0.152 -4.400 554 HB3 GLU 74 2HB GLU 74 -9.095 1.328 -5.343 555 HG2 GLU 74 1HG GLU 74 -10.070 -0.320 -7.158 556 HG3 GLU 74 2HG GLU 74 -10.455 -1.280 -5.730 557 H ALA 75 H ALA 75 -6.728 -0.777 -3.881 558 HA ALA 75 HA ALA 75 -5.364 1.472 -3.059 559 HB1 ALA 75 1HB ALA 75 -4.876 -1.441 -2.521 560 HB2 ALA 75 2HB ALA 75 -3.904 -0.175 -1.770 561 HB3 ALA 75 3HB ALA 75 -5.643 -0.240 -1.482 562 H ILE 76 H ILE 76 -3.906 -1.354 -4.684 563 HA ILE 76 HA ILE 76 -1.341 -0.563 -4.983 564 HB ILE 76 HB ILE 76 -3.015 -1.835 -7.152 565 HG12 ILE 76 1HG1 ILE 76 -1.298 -3.054 -4.978 566 HG13 ILE 76 2HG1 ILE 76 -3.057 -3.086 -5.045 567 HG21 ILE 76 1HG2 ILE 76 -1.151 -1.336 -8.346 568 HG22 ILE 76 2HG2 ILE 76 -0.123 -1.249 -6.917 569 HG23 ILE 76 3HG2 ILE 76 -0.576 -2.818 -7.583 570 HD11 ILE 76 1HD1 ILE 76 -2.715 -5.112 -5.937 571 HD12 ILE 76 2HD1 ILE 76 -2.459 -4.197 -7.424 572 HD13 ILE 76 3HD1 ILE 76 -1.077 -4.722 -6.462 573 H ASP 77 H ASP 77 -3.959 0.320 -7.235 574 HA ASP 77 HA ASP 77 -2.548 1.879 -9.005 575 HB2 ASP 77 1HB ASP 77 -5.011 1.257 -9.085 576 HB3 ASP 77 2HB ASP 77 -5.297 2.617 -8.002 577 H HIS 78 H HIS 78 -3.856 2.805 -5.853 578 HA HIS 78 HA HIS 78 -3.115 5.548 -6.062 579 HB2 HIS 78 1HB HIS 78 -4.883 4.933 -4.548 580 HB3 HIS 78 2HB HIS 78 -3.822 3.827 -3.680 581 HD1 HIS 78 1HD HIS 78 -5.218 7.076 -3.384 582 HD2 HIS 78 2HD HIS 78 -1.516 5.409 -2.498 583 HE1 HIS 78 1HE HIS 78 -4.150 8.646 -1.735 584 H ILE 79 H ILE 79 -1.574 2.665 -4.767 585 HA ILE 79 HA ILE 79 0.547 3.948 -3.421 586 HB ILE 79 HB ILE 79 0.446 1.186 -4.640 587 HG12 ILE 79 1HG1 ILE 79 0.001 2.125 -1.797 588 HG13 ILE 79 2HG1 ILE 79 -1.261 1.605 -2.909 589 HG21 ILE 79 1HG2 ILE 79 2.744 2.186 -4.186 590 HG22 ILE 79 2HG2 ILE 79 2.315 2.108 -2.478 591 HG23 ILE 79 3HG2 ILE 79 2.385 0.630 -3.438 592 HD11 ILE 79 1HD1 ILE 79 1.000 -0.147 -1.986 593 HD12 ILE 79 2HD1 ILE 79 -0.600 -0.106 -1.246 594 HD13 ILE 79 3HD1 ILE 79 -0.416 -0.629 -2.920 595 H LEU 80 H LEU 80 0.683 2.165 -6.512 596 HA LEU 80 HA LEU 80 3.208 2.952 -7.295 597 HB2 LEU 80 1HB LEU 80 0.760 2.097 -8.754 598 HB3 LEU 80 2HB LEU 80 2.107 2.745 -9.687 599 HG LEU 80 HG LEU 80 2.492 0.473 -7.764 600 HD11 LEU 80 1HD1 LEU 80 1.495 -1.002 -9.091 601 HD12 LEU 80 2HD1 LEU 80 2.292 -0.349 -10.522 602 HD13 LEU 80 3HD1 LEU 80 0.780 0.360 -9.954 603 HD21 LEU 80 1HD2 LEU 80 4.543 0.272 -8.681 604 HD22 LEU 80 2HD2 LEU 80 4.294 1.971 -9.085 605 HD23 LEU 80 3HD2 LEU 80 3.987 0.723 -10.293 606 H ASN 81 H ASN 81 0.151 4.659 -7.643 607 HA ASN 81 HA ASN 81 0.845 6.648 -9.425 608 HB2 ASN 81 1HB ASN 81 -1.403 6.635 -8.795 609 HB3 ASN 81 2HB ASN 81 -1.022 6.582 -7.076 610 HD21 ASN 81 1HD2 ASN 81 -2.383 8.320 -6.654 611 HD22 ASN 81 2HD2 ASN 81 -1.957 9.940 -7.077 612 H LEU 82 H LEU 82 1.344 6.590 -5.911 613 HA LEU 82 HA LEU 82 2.585 9.149 -5.804 614 HB2 LEU 82 1HB LEU 82 2.797 6.869 -3.844 615 HB3 LEU 82 2HB LEU 82 3.182 8.560 -3.531 616 HG LEU 82 HG LEU 82 0.417 7.574 -4.215 617 HD11 LEU 82 1HD1 LEU 82 1.612 8.147 -1.507 618 HD12 LEU 82 2HD1 LEU 82 1.160 6.559 -2.126 619 HD13 LEU 82 3HD1 LEU 82 -0.081 7.778 -1.835 620 HD21 LEU 82 1HD2 LEU 82 0.135 9.872 -2.819 621 HD22 LEU 82 2HD2 LEU 82 0.190 9.782 -4.580 622 HD23 LEU 82 3HD2 LEU 82 1.646 10.190 -3.671 623 H GLU 83 H GLU 83 3.778 5.840 -6.063 624 HA GLU 83 HA GLU 83 6.435 6.069 -5.571 625 HB2 GLU 83 1HB GLU 83 5.405 3.974 -6.272 626 HB3 GLU 83 2HB GLU 83 5.162 4.610 -7.892 627 HG2 GLU 83 1HG GLU 83 7.749 4.920 -7.854 628 HG3 GLU 83 2HG GLU 83 7.676 3.721 -6.564 629 H GLU 84 H GLU 84 5.029 6.607 -8.809 630 HA GLU 84 HA GLU 84 7.313 7.577 -10.042 631 HB2 GLU 84 1HB GLU 84 5.299 6.983 -11.283 632 HB3 GLU 84 2HB GLU 84 4.433 8.332 -10.562 633 HG2 GLU 84 1HG GLU 84 6.353 9.747 -11.630 634 HG3 GLU 84 2HG GLU 84 6.530 8.337 -12.672 635 H GLU 85 H GLU 85 4.737 9.424 -8.425 636 HA GLU 85 HA GLU 85 5.618 11.985 -8.841 637 HB2 GLU 85 1HB GLU 85 3.536 11.581 -7.711 638 HB3 GLU 85 2HB GLU 85 4.357 10.789 -6.373 639 HG2 GLU 85 1HG GLU 85 3.770 12.922 -5.596 640 HG3 GLU 85 2HG GLU 85 5.500 12.992 -5.928 641 H TYR 86 H TYR 86 6.493 9.946 -6.047 642 HA TYR 86 HA TYR 86 8.377 11.720 -4.963 643 HB2 TYR 86 1HB TYR 86 8.091 8.723 -4.720 644 HB3 TYR 86 2HB TYR 86 9.261 9.657 -3.795 645 HD1 TYR 86 2HD TYR 86 7.991 11.915 -2.767 646 HD2 TYR 86 1HD TYR 86 6.262 8.093 -3.479 647 HE1 TYR 86 2HE TYR 86 6.280 12.377 -1.061 648 HE2 TYR 86 1HE TYR 86 4.546 8.545 -1.776 649 HH TYR 86 HH TYR 86 3.525 10.978 -0.794 650 H LEU 87 H LEU 87 8.806 8.928 -7.120 651 HA LEU 87 HA LEU 87 11.561 8.913 -7.312 652 HB2 LEU 87 1HB LEU 87 9.430 8.252 -9.323 653 HB3 LEU 87 2HB LEU 87 11.144 8.031 -9.667 654 HG LEU 87 HG LEU 87 9.704 6.692 -7.382 655 HD11 LEU 87 1HD1 LEU 87 10.421 5.537 -10.072 656 HD12 LEU 87 2HD1 LEU 87 8.795 6.000 -9.572 657 HD13 LEU 87 3HD1 LEU 87 9.638 4.698 -8.733 658 HD21 LEU 87 1HD2 LEU 87 11.684 5.867 -6.786 659 HD22 LEU 87 2HD2 LEU 87 12.407 7.066 -7.859 660 HD23 LEU 87 3HD2 LEU 87 12.087 5.434 -8.448 661 H ALA 88 H ALA 88 9.240 11.028 -8.869 662 HA ALA 88 HA ALA 88 10.744 12.159 -10.880 663 HB1 ALA 88 1HB ALA 88 8.794 13.571 -9.063 664 HB2 ALA 88 2HB ALA 88 9.342 14.147 -10.637 665 HB3 ALA 88 3HB ALA 88 8.386 12.670 -10.523 666 H ASP 89 H ASP 89 11.063 12.552 -7.446 667 HA ASP 89 HA ASP 89 12.905 14.799 -7.762 668 HB2 ASP 89 1HB ASP 89 11.420 13.591 -5.477 669 HB3 ASP 89 2HB ASP 89 12.937 14.415 -5.127 670 H SER 90 H SER 90 14.180 12.982 -8.992 671 HA SER 90 HA SER 90 15.551 10.997 -7.565 672 HB2 SER 90 1HB SER 90 16.034 12.419 -10.159 673 HB3 SER 90 2HB SER 90 17.283 11.359 -9.507 674 HG SER 90 HG SER 90 15.983 10.112 -10.791 675 H GLY 91 H GLY 91 16.434 14.352 -8.307 676 HA2 GLY 91 1HA GLY 91 17.714 15.017 -6.018 677 HA3 GLY 91 2HA GLY 91 18.951 14.139 -6.905 678 HA PRO 92 HA PRO 92 20.062 17.896 -8.884 679 HB2 PRO 92 1HB PRO 92 21.215 16.908 -11.135 680 HB3 PRO 92 2HB PRO 92 21.980 16.816 -9.544 681 HG2 PRO 92 1HG PRO 92 20.445 14.721 -11.032 682 HG3 PRO 92 2HG PRO 92 21.953 14.562 -10.112 683 HD2 PRO 92 1HD PRO 92 19.547 13.835 -9.104 684 HD3 PRO 92 2HD PRO 92 20.855 14.474 -8.087 685 H SER 93 H SER 93 18.096 15.531 -10.552 686 HA SER 93 HA SER 93 17.467 17.084 -12.831 687 HB2 SER 93 1HB SER 93 15.625 15.494 -13.164 688 HB3 SER 93 2HB SER 93 17.113 14.647 -12.742 689 HG SER 93 HG SER 93 14.900 15.210 -11.063 690 H SER 94 H SER 94 15.694 16.522 -9.796 691 HA SER 94 HA SER 94 13.767 18.585 -10.486 692 HB2 SER 94 1HB SER 94 14.012 16.627 -8.210 693 HB3 SER 94 2HB SER 94 12.848 17.950 -8.159 694 HG SER 94 HG SER 94 12.212 17.077 -10.334 695 H GLY 95 H GLY 95 13.950 20.644 -9.906 696 HA2 GLY 95 1HA GLY 95 14.788 21.592 -7.421 697 HA3 GLY 95 2HA GLY 95 16.190 21.619 -8.480 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -34.786 -7.376 8.756 2 HA2 GLY 1 1HA GLY 1 -35.425 -6.984 6.357 3 HA3 GLY 1 2HA GLY 1 -36.321 -5.978 7.485 4 H SER 2 H SER 2 -33.077 -5.877 6.002 5 HA SER 2 HA SER 2 -33.711 -3.352 4.727 6 HB2 SER 2 1HB SER 2 -32.918 -2.858 7.111 7 HB3 SER 2 2HB SER 2 -31.338 -3.440 6.588 8 HG SER 2 HG SER 2 -31.257 -1.311 6.180 9 H SER 3 H SER 3 -32.031 -2.645 3.242 10 HA SER 3 HA SER 3 -29.845 -4.435 2.665 11 HB2 SER 3 1HB SER 3 -30.550 -5.116 0.472 12 HB3 SER 3 2HB SER 3 -31.849 -5.524 1.592 13 HG SER 3 HG SER 3 -32.922 -3.622 0.922 14 H GLY 4 H GLY 4 -28.226 -3.092 2.259 15 HA2 GLY 4 1HA GLY 4 -28.819 -0.574 0.834 16 HA3 GLY 4 2HA GLY 4 -27.518 -0.773 1.998 17 H SER 5 H SER 5 -28.595 -1.471 -1.258 18 HA SER 5 HA SER 5 -26.592 -3.047 -2.250 19 HB2 SER 5 1HB SER 5 -27.966 -0.703 -3.581 20 HB3 SER 5 2HB SER 5 -26.958 -1.869 -4.438 21 HG SER 5 HG SER 5 -28.738 -2.970 -4.590 22 H SER 6 H SER 6 -26.540 0.507 -2.045 23 HA SER 6 HA SER 6 -23.712 0.532 -2.738 24 HB2 SER 6 1HB SER 6 -25.832 2.631 -2.436 25 HB3 SER 6 2HB SER 6 -24.132 3.095 -2.382 26 HG SER 6 HG SER 6 -24.556 3.188 -4.489 27 H GLY 7 H GLY 7 -22.421 -0.058 -1.097 28 HA2 GLY 7 1HA GLY 7 -22.087 1.646 1.138 29 HA3 GLY 7 2HA GLY 7 -22.944 0.192 1.628 30 H ARG 8 H ARG 8 -20.170 1.310 2.159 31 HA ARG 8 HA ARG 8 -18.417 -0.668 0.987 32 HB2 ARG 8 1HB ARG 8 -18.093 1.723 2.727 33 HB3 ARG 8 2HB ARG 8 -16.855 0.478 2.828 34 HG2 ARG 8 1HG ARG 8 -17.703 1.572 0.177 35 HG3 ARG 8 2HG ARG 8 -16.535 2.431 1.183 36 HD2 ARG 8 1HD ARG 8 -15.168 0.355 1.260 37 HD3 ARG 8 2HD ARG 8 -16.298 -0.382 0.125 38 HE ARG 8 HE ARG 8 -15.385 0.878 -1.573 39 HH11 ARG 8 1HH1 ARG 8 -14.201 1.994 1.505 40 HH12 ARG 8 2HH1 ARG 8 -12.980 3.011 0.813 41 HH21 ARG 8 1HH2 ARG 8 -13.783 2.214 -2.495 42 HH22 ARG 8 2HH2 ARG 8 -12.744 3.136 -1.462 43 H ILE 9 H ILE 9 -16.929 -1.919 2.455 44 HA ILE 9 HA ILE 9 -17.917 -2.608 5.068 45 HB ILE 9 HB ILE 9 -18.106 -5.078 4.435 46 HG12 ILE 9 1HG1 ILE 9 -18.764 -3.976 1.708 47 HG13 ILE 9 2HG1 ILE 9 -17.166 -4.603 2.097 48 HG21 ILE 9 1HG2 ILE 9 -20.418 -4.906 4.194 49 HG22 ILE 9 2HG2 ILE 9 -19.968 -3.402 4.996 50 HG23 ILE 9 3HG2 ILE 9 -20.304 -3.411 3.265 51 HD11 ILE 9 1HD1 ILE 9 -17.840 -6.705 1.873 52 HD12 ILE 9 2HD1 ILE 9 -19.286 -6.433 2.845 53 HD13 ILE 9 3HD1 ILE 9 -19.293 -6.044 1.125 54 H VAL 10 H VAL 10 -16.644 -4.636 5.879 55 HA VAL 10 HA VAL 10 -13.836 -4.177 5.161 56 HB VAL 10 HB VAL 10 -14.955 -5.583 7.591 57 HG11 VAL 10 1HG1 VAL 10 -12.727 -5.471 8.478 58 HG12 VAL 10 2HG1 VAL 10 -12.660 -6.244 6.893 59 HG13 VAL 10 3HG1 VAL 10 -12.166 -4.560 7.077 60 HG21 VAL 10 1HG2 VAL 10 -13.682 -2.873 7.615 61 HG22 VAL 10 2HG2 VAL 10 -15.402 -3.052 7.268 62 HG23 VAL 10 3HG2 VAL 10 -14.750 -3.616 8.806 63 H GLY 11 H GLY 11 -16.271 -6.699 5.449 64 HA2 GLY 11 1HA GLY 11 -16.347 -8.705 4.267 65 HA3 GLY 11 2HA GLY 11 -14.710 -8.404 3.702 66 H GLU 12 H GLU 12 -14.599 -10.777 4.184 67 HA GLU 12 HA GLU 12 -14.186 -11.318 7.039 68 HB2 GLU 12 1HB GLU 12 -14.872 -13.004 4.681 69 HB3 GLU 12 2HB GLU 12 -13.947 -13.747 5.979 70 HG2 GLU 12 1HG GLU 12 -16.442 -12.235 6.603 71 HG3 GLU 12 2HG GLU 12 -16.533 -13.885 5.990 72 H LEU 13 H LEU 13 -12.304 -12.524 7.704 73 HA LEU 13 HA LEU 13 -9.901 -11.470 6.726 74 HB2 LEU 13 1HB LEU 13 -10.633 -13.660 8.603 75 HB3 LEU 13 2HB LEU 13 -8.964 -13.553 8.047 76 HG LEU 13 HG LEU 13 -9.297 -12.476 10.227 77 HD11 LEU 13 1HD1 LEU 13 -8.691 -10.035 9.042 78 HD12 LEU 13 2HD1 LEU 13 -8.176 -11.246 7.869 79 HD13 LEU 13 3HD1 LEU 13 -7.554 -11.296 9.519 80 HD21 LEU 13 1HD2 LEU 13 -10.782 -10.781 10.633 81 HD22 LEU 13 2HD2 LEU 13 -11.699 -11.730 9.463 82 HD23 LEU 13 3HD2 LEU 13 -10.843 -10.278 8.943 83 H GLU 14 H GLU 14 -11.084 -14.831 6.496 84 HA GLU 14 HA GLU 14 -9.101 -15.826 4.843 85 HB2 GLU 14 1HB GLU 14 -12.027 -16.586 4.899 86 HB3 GLU 14 2HB GLU 14 -10.748 -17.544 4.166 87 HG2 GLU 14 1HG GLU 14 -9.803 -18.084 6.224 88 HG3 GLU 14 2HG GLU 14 -10.639 -16.774 7.055 89 H GLN 15 H GLN 15 -12.020 -14.042 4.006 90 HA GLN 15 HA GLN 15 -12.018 -14.418 1.248 91 HB2 GLN 15 1HB GLN 15 -13.054 -12.299 3.072 92 HB3 GLN 15 2HB GLN 15 -13.024 -11.966 1.345 93 HG2 GLN 15 1HG GLN 15 -14.228 -14.512 2.312 94 HG3 GLN 15 2HG GLN 15 -15.134 -13.009 2.474 95 HE21 GLN 15 1HE2 GLN 15 -13.480 -15.085 0.161 96 HE22 GLN 15 2HE2 GLN 15 -14.427 -14.624 -1.208 97 H MET 16 H MET 16 -10.274 -12.064 3.226 98 HA MET 16 HA MET 16 -9.254 -10.402 1.282 99 HB2 MET 16 1HB MET 16 -7.833 -11.409 3.753 100 HB3 MET 16 2HB MET 16 -7.366 -9.996 2.817 101 HG2 MET 16 1HG MET 16 -9.434 -8.890 3.384 102 HG3 MET 16 2HG MET 16 -9.999 -10.326 4.234 103 HE1 MET 16 1HE MET 16 -10.245 -9.402 6.902 104 HE2 MET 16 2HE MET 16 -9.466 -7.836 7.125 105 HE3 MET 16 3HE MET 16 -10.484 -8.122 5.712 106 H VAL 17 H VAL 17 -7.222 -10.333 0.180 107 HA VAL 17 HA VAL 17 -5.947 -12.953 -0.226 108 HB VAL 17 HB VAL 17 -5.712 -12.404 -2.646 109 HG11 VAL 17 1HG1 VAL 17 -8.633 -12.393 -2.212 110 HG12 VAL 17 2HG1 VAL 17 -7.626 -13.501 -3.146 111 HG13 VAL 17 3HG1 VAL 17 -7.724 -13.663 -1.393 112 HG21 VAL 17 1HG2 VAL 17 -7.948 -10.491 -2.552 113 HG22 VAL 17 2HG2 VAL 17 -6.402 -9.883 -1.961 114 HG23 VAL 17 3HG2 VAL 17 -6.528 -10.528 -3.597 115 H SER 18 H SER 18 -3.756 -12.934 -0.535 116 HA SER 18 HA SER 18 -2.426 -10.385 0.007 117 HB2 SER 18 1HB SER 18 -0.494 -11.705 0.641 118 HB3 SER 18 2HB SER 18 -1.921 -12.362 1.443 119 HG SER 18 HG SER 18 -0.466 -13.405 -0.732 120 H GLU 19 H GLU 19 -1.514 -9.279 -1.582 121 HA GLU 19 HA GLU 19 -0.652 -10.735 -3.996 122 HB2 GLU 19 1HB GLU 19 -2.179 -8.201 -3.668 123 HB3 GLU 19 2HB GLU 19 -1.029 -8.290 -4.995 124 HG2 GLU 19 1HG GLU 19 -3.462 -9.972 -4.520 125 HG3 GLU 19 2HG GLU 19 -3.084 -8.945 -5.901 126 H ASP 20 H ASP 20 1.125 -9.736 -5.188 127 HA ASP 20 HA ASP 20 3.010 -8.410 -3.357 128 HB2 ASP 20 1HB ASP 20 3.469 -10.230 -5.721 129 HB3 ASP 20 2HB ASP 20 4.761 -9.298 -4.968 130 H VAL 21 H VAL 21 3.125 -6.294 -3.701 131 HA VAL 21 HA VAL 21 2.875 -5.287 -6.455 132 HB VAL 21 HB VAL 21 2.732 -3.537 -4.022 133 HG11 VAL 21 1HG1 VAL 21 2.316 -1.963 -5.528 134 HG12 VAL 21 2HG1 VAL 21 2.522 -3.154 -6.815 135 HG13 VAL 21 3HG1 VAL 21 0.925 -2.869 -6.121 136 HG21 VAL 21 1HG2 VAL 21 0.406 -5.030 -5.230 137 HG22 VAL 21 2HG2 VAL 21 1.146 -5.390 -3.671 138 HG23 VAL 21 3HG2 VAL 21 0.328 -3.848 -3.923 139 HA PRO 22 HA PRO 22 7.263 -4.523 -6.185 140 HB2 PRO 22 1HB PRO 22 7.498 -3.451 -8.668 141 HB3 PRO 22 2HB PRO 22 7.360 -5.190 -8.381 142 HG2 PRO 22 1HG PRO 22 5.250 -3.233 -9.205 143 HG3 PRO 22 2HG PRO 22 5.556 -4.871 -9.813 144 HD2 PRO 22 1HD PRO 22 3.603 -4.323 -8.018 145 HD3 PRO 22 2HD PRO 22 4.480 -5.867 -8.034 146 H LEU 23 H LEU 23 7.410 -2.886 -4.668 147 HA LEU 23 HA LEU 23 6.971 -0.148 -5.663 148 HB2 LEU 23 1HB LEU 23 5.549 -0.899 -3.741 149 HB3 LEU 23 2HB LEU 23 7.024 -1.041 -2.787 150 HG LEU 23 HG LEU 23 7.406 1.393 -3.118 151 HD11 LEU 23 1HD1 LEU 23 6.313 2.269 -4.870 152 HD12 LEU 23 2HD1 LEU 23 4.981 2.446 -3.728 153 HD13 LEU 23 3HD1 LEU 23 5.034 1.056 -4.811 154 HD21 LEU 23 1HD2 LEU 23 6.040 0.223 -1.210 155 HD22 LEU 23 2HD2 LEU 23 4.686 1.091 -1.934 156 HD23 LEU 23 3HD2 LEU 23 6.086 1.982 -1.335 157 H ASP 24 H ASP 24 8.733 1.030 -5.968 158 HA ASP 24 HA ASP 24 11.329 0.132 -5.532 159 HB2 ASP 24 1HB ASP 24 10.590 1.981 -7.092 160 HB3 ASP 24 2HB ASP 24 10.519 3.038 -5.685 161 H HIS 25 H HIS 25 12.850 0.456 -3.956 162 HA HIS 25 HA HIS 25 11.890 0.889 -1.305 163 HB2 HIS 25 1HB HIS 25 14.112 0.381 -0.585 164 HB3 HIS 25 2HB HIS 25 13.755 -0.681 -1.943 165 HD1 HIS 25 1HD HIS 25 16.263 1.599 -0.722 166 HD2 HIS 25 2HD HIS 25 14.934 0.368 -4.461 167 HE1 HIS 25 1HE HIS 25 18.101 2.213 -2.325 168 H ARG 26 H ARG 26 12.910 2.974 -3.743 169 HA ARG 26 HA ARG 26 14.090 4.989 -2.061 170 HB2 ARG 26 1HB ARG 26 13.245 4.919 -4.950 171 HB3 ARG 26 2HB ARG 26 13.816 6.396 -4.187 172 HG2 ARG 26 1HG ARG 26 15.886 5.037 -3.537 173 HG3 ARG 26 2HG ARG 26 15.320 3.864 -4.728 174 HD2 ARG 26 1HD ARG 26 15.161 5.958 -6.282 175 HD3 ARG 26 2HD ARG 26 16.291 6.661 -5.125 176 HE ARG 26 HE ARG 26 17.930 5.396 -6.068 177 HH11 ARG 26 1HH1 ARG 26 14.860 3.905 -6.753 178 HH12 ARG 26 2HH1 ARG 26 15.538 2.664 -7.754 179 HH21 ARG 26 1HH2 ARG 26 18.835 3.767 -7.383 180 HH22 ARG 26 2HH2 ARG 26 17.800 2.586 -8.111 181 H VAL 27 H VAL 27 10.917 4.205 -3.241 182 HA VAL 27 HA VAL 27 9.853 6.754 -2.244 183 HB VAL 27 HB VAL 27 7.818 6.253 -3.433 184 HG11 VAL 27 1HG1 VAL 27 9.733 5.443 -5.521 185 HG12 VAL 27 2HG1 VAL 27 8.614 6.807 -5.471 186 HG13 VAL 27 3HG1 VAL 27 10.153 6.895 -4.614 187 HG21 VAL 27 1HG2 VAL 27 7.319 4.236 -4.489 188 HG22 VAL 27 2HG2 VAL 27 8.999 3.699 -4.470 189 HG23 VAL 27 3HG2 VAL 27 8.067 3.732 -2.973 190 H HIS 28 H HIS 28 10.528 3.824 -1.031 191 HA HIS 28 HA HIS 28 8.184 2.940 0.212 192 HB2 HIS 28 1HB HIS 28 11.099 2.579 0.691 193 HB3 HIS 28 2HB HIS 28 10.005 2.148 2.002 194 HD2 HIS 28 2HD HIS 28 8.543 1.336 -1.440 195 HE1 HIS 28 1HE HIS 28 10.193 -2.259 0.094 196 HE2 HIS 28 2HE HIS 28 8.826 -1.216 -1.747 197 H ALA 29 H ALA 29 10.832 4.795 1.727 198 HA ALA 29 HA ALA 29 9.460 5.412 4.081 199 HB1 ALA 29 1HB ALA 29 11.422 6.287 4.638 200 HB2 ALA 29 2HB ALA 29 11.987 5.943 3.003 201 HB3 ALA 29 3HB ALA 29 11.287 7.517 3.382 202 H ARG 30 H ARG 30 9.701 7.186 1.027 203 HA ARG 30 HA ARG 30 8.487 9.562 1.737 204 HB2 ARG 30 1HB ARG 30 8.710 8.011 -0.792 205 HB3 ARG 30 2HB ARG 30 7.545 9.328 -0.750 206 HG2 ARG 30 1HG ARG 30 9.525 10.247 -1.615 207 HG3 ARG 30 2HG ARG 30 9.435 10.799 0.059 208 HD2 ARG 30 1HD ARG 30 10.852 8.642 0.519 209 HD3 ARG 30 2HD ARG 30 11.259 8.796 -1.189 210 HE ARG 30 HE ARG 30 12.278 10.364 0.938 211 HH11 ARG 30 1HH1 ARG 30 11.259 10.567 -2.385 212 HH12 ARG 30 2HH1 ARG 30 12.287 11.912 -2.754 213 HH21 ARG 30 1HH2 ARG 30 13.636 12.134 0.464 214 HH22 ARG 30 2HH2 ARG 30 13.640 12.801 -1.134 215 H ILE 31 H ILE 31 7.047 6.433 1.152 216 HA ILE 31 HA ILE 31 4.348 7.526 1.284 217 HB ILE 31 HB ILE 31 5.333 4.701 0.879 218 HG12 ILE 31 1HG1 ILE 31 3.808 6.430 -1.061 219 HG13 ILE 31 2HG1 ILE 31 5.565 6.474 -0.969 220 HG21 ILE 31 1HG2 ILE 31 2.821 5.579 1.834 221 HG22 ILE 31 2HG2 ILE 31 2.594 5.033 0.174 222 HG23 ILE 31 3HG2 ILE 31 3.305 3.948 1.369 223 HD11 ILE 31 1HD1 ILE 31 4.824 5.010 -2.748 224 HD12 ILE 31 2HD1 ILE 31 5.642 4.087 -1.487 225 HD13 ILE 31 3HD1 ILE 31 3.883 4.061 -1.598 226 H ILE 32 H ILE 32 6.366 5.192 3.055 227 HA ILE 32 HA ILE 32 4.648 4.444 5.054 228 HB ILE 32 HB ILE 32 7.607 5.001 5.271 229 HG12 ILE 32 1HG1 ILE 32 6.162 2.359 5.036 230 HG13 ILE 32 2HG1 ILE 32 6.784 3.241 3.646 231 HG21 ILE 32 1HG2 ILE 32 5.904 3.391 7.164 232 HG22 ILE 32 2HG2 ILE 32 7.624 3.748 7.312 233 HG23 ILE 32 3HG2 ILE 32 6.438 5.043 7.471 234 HD11 ILE 32 1HD1 ILE 32 8.137 1.360 5.114 235 HD12 ILE 32 2HD1 ILE 32 8.856 2.525 4.001 236 HD13 ILE 32 3HD1 ILE 32 8.776 2.885 5.726 237 H GLY 33 H GLY 33 6.792 7.292 5.075 238 HA2 GLY 33 1HA GLY 33 6.230 9.397 5.968 239 HA3 GLY 33 2HA GLY 33 4.889 8.650 6.825 240 H ALA 34 H ALA 34 7.482 10.319 7.460 241 HA ALA 34 HA ALA 34 9.279 9.124 9.041 242 HB1 ALA 34 1HB ALA 34 7.876 11.496 10.194 243 HB2 ALA 34 2HB ALA 34 9.600 11.127 10.144 244 HB3 ALA 34 3HB ALA 34 8.767 11.646 8.680 245 H ARG 35 H ARG 35 6.096 10.148 10.294 246 HA ARG 35 HA ARG 35 6.444 8.703 12.741 247 HB2 ARG 35 1HB ARG 35 5.101 10.697 12.771 248 HB3 ARG 35 2HB ARG 35 4.048 10.067 11.511 249 HG2 ARG 35 1HG ARG 35 2.746 9.665 13.327 250 HG3 ARG 35 2HG ARG 35 3.657 8.153 13.288 251 HD2 ARG 35 1HD ARG 35 5.323 9.557 14.798 252 HD3 ARG 35 2HD ARG 35 3.846 10.447 15.168 253 HE ARG 35 HE ARG 35 3.176 7.815 15.490 254 HH11 ARG 35 1HH1 ARG 35 5.600 9.935 16.813 255 HH12 ARG 35 2HH1 ARG 35 5.679 9.109 18.334 256 HH21 ARG 35 1HH2 ARG 35 3.270 6.720 17.489 257 HH22 ARG 35 2HH2 ARG 35 4.354 7.280 18.717 258 H GLY 36 H GLY 36 4.992 8.053 9.637 259 HA2 GLY 36 1HA GLY 36 4.682 5.824 8.854 260 HA3 GLY 36 2HA GLY 36 4.487 5.298 10.520 261 H LYS 37 H LYS 37 2.786 8.136 9.963 262 HA LYS 37 HA LYS 37 0.266 6.734 10.112 263 HB2 LYS 37 1HB LYS 37 0.702 8.791 11.425 264 HB3 LYS 37 2HB LYS 37 0.819 9.702 9.925 265 HG2 LYS 37 1HG LYS 37 -1.538 8.959 9.429 266 HG3 LYS 37 2HG LYS 37 -1.605 8.360 11.088 267 HD2 LYS 37 1HD LYS 37 -0.806 10.755 11.707 268 HD3 LYS 37 2HD LYS 37 -1.391 11.176 10.095 269 HE2 LYS 37 1HE LYS 37 -3.215 11.586 11.501 270 HE3 LYS 37 2HE LYS 37 -3.564 10.016 10.781 271 HZ1 LYS 37 1HZ LYS 37 -2.121 10.058 13.324 272 HZ2 LYS 37 2HZ LYS 37 -3.249 8.941 12.741 273 HZ3 LYS 37 3HZ LYS 37 -3.772 10.428 13.354 274 H ALA 38 H ALA 38 2.020 8.686 7.761 275 HA ALA 38 HA ALA 38 0.194 9.266 5.855 276 HB1 ALA 38 1HB ALA 38 2.126 9.914 4.958 277 HB2 ALA 38 2HB ALA 38 3.039 8.704 5.861 278 HB3 ALA 38 3HB ALA 38 2.276 8.273 4.330 279 H ILE 39 H ILE 39 1.884 6.131 6.070 280 HA ILE 39 HA ILE 39 0.461 4.887 3.989 281 HB ILE 39 HB ILE 39 2.581 4.011 4.901 282 HG12 ILE 39 1HG1 ILE 39 1.864 1.588 4.972 283 HG13 ILE 39 2HG1 ILE 39 0.198 2.153 4.934 284 HG21 ILE 39 1HG2 ILE 39 2.740 2.929 6.987 285 HG22 ILE 39 2HG2 ILE 39 1.895 4.444 7.303 286 HG23 ILE 39 3HG2 ILE 39 0.991 2.932 7.211 287 HD11 ILE 39 1HD1 ILE 39 1.570 1.473 2.750 288 HD12 ILE 39 2HD1 ILE 39 0.292 2.689 2.747 289 HD13 ILE 39 3HD1 ILE 39 1.982 3.186 2.826 290 H ARG 40 H ARG 40 -0.293 5.397 7.350 291 HA ARG 40 HA ARG 40 -2.292 3.436 7.652 292 HB2 ARG 40 1HB ARG 40 -1.112 4.985 9.408 293 HB3 ARG 40 2HB ARG 40 -2.450 6.073 9.063 294 HG2 ARG 40 1HG ARG 40 -3.143 4.859 10.927 295 HG3 ARG 40 2HG ARG 40 -3.970 4.089 9.571 296 HD2 ARG 40 1HD ARG 40 -2.500 2.252 9.583 297 HD3 ARG 40 2HD ARG 40 -1.333 3.090 10.604 298 HE ARG 40 HE ARG 40 -2.482 2.344 12.424 299 HH11 ARG 40 1HH1 ARG 40 -4.596 2.237 9.660 300 HH12 ARG 40 2HH1 ARG 40 -5.892 1.471 10.517 301 HH21 ARG 40 1HH2 ARG 40 -4.182 1.336 13.564 302 HH22 ARG 40 2HH2 ARG 40 -5.656 0.960 12.738 303 H LYS 41 H LYS 41 -2.338 6.687 6.337 304 HA LYS 41 HA LYS 41 -5.105 7.107 6.273 305 HB2 LYS 41 1HB LYS 41 -3.961 9.033 5.777 306 HB3 LYS 41 2HB LYS 41 -2.760 8.198 4.801 307 HG2 LYS 41 1HG LYS 41 -4.431 7.937 3.012 308 HG3 LYS 41 2HG LYS 41 -5.586 8.847 3.988 309 HD2 LYS 41 1HD LYS 41 -2.896 9.962 3.241 310 HD3 LYS 41 2HD LYS 41 -4.306 10.132 2.193 311 HE2 LYS 41 1HE LYS 41 -4.554 10.896 5.060 312 HE3 LYS 41 2HE LYS 41 -3.682 11.976 3.973 313 HZ1 LYS 41 1HZ LYS 41 -6.372 11.925 4.336 314 HZ2 LYS 41 2HZ LYS 41 -6.178 11.072 2.889 315 HZ3 LYS 41 3HZ LYS 41 -5.569 12.644 3.031 316 H ILE 42 H ILE 42 -2.944 5.674 3.844 317 HA ILE 42 HA ILE 42 -4.990 5.162 1.946 318 HB ILE 42 HB ILE 42 -2.329 3.760 2.220 319 HG12 ILE 42 1HG1 ILE 42 -2.818 5.976 0.280 320 HG13 ILE 42 2HG1 ILE 42 -2.517 6.395 1.963 321 HG21 ILE 42 1HG2 ILE 42 -4.492 3.715 0.210 322 HG22 ILE 42 2HG2 ILE 42 -2.843 3.782 -0.410 323 HG23 ILE 42 3HG2 ILE 42 -3.331 2.466 0.659 324 HD11 ILE 42 1HD1 ILE 42 -0.471 6.468 0.679 325 HD12 ILE 42 2HD1 ILE 42 -0.399 5.170 1.872 326 HD13 ILE 42 3HD1 ILE 42 -0.702 4.793 0.176 327 H MET 43 H MET 43 -3.368 3.110 4.353 328 HA MET 43 HA MET 43 -4.590 0.695 3.781 329 HB2 MET 43 1HB MET 43 -3.464 1.903 6.271 330 HB3 MET 43 2HB MET 43 -4.347 0.386 6.390 331 HG2 MET 43 1HG MET 43 -2.797 -0.467 4.560 332 HG3 MET 43 2HG MET 43 -1.819 0.962 4.888 333 HE1 MET 43 1HE MET 43 -0.596 1.493 6.680 334 HE2 MET 43 2HE MET 43 -0.161 0.516 8.082 335 HE3 MET 43 3HE MET 43 0.521 0.139 6.499 336 H ASP 44 H ASP 44 -5.844 3.476 5.491 337 HA ASP 44 HA ASP 44 -8.196 2.080 6.426 338 HB2 ASP 44 1HB ASP 44 -7.136 4.865 6.646 339 HB3 ASP 44 2HB ASP 44 -8.857 4.596 6.911 340 H GLU 45 H GLU 45 -7.362 4.371 3.874 341 HA GLU 45 HA GLU 45 -9.880 5.038 2.950 342 HB2 GLU 45 1HB GLU 45 -7.726 5.996 2.136 343 HB3 GLU 45 2HB GLU 45 -7.450 4.515 1.230 344 HG2 GLU 45 1HG GLU 45 -8.330 5.857 -0.392 345 HG3 GLU 45 2HG GLU 45 -9.785 5.054 0.197 346 H PHE 46 H PHE 46 -7.842 2.320 1.873 347 HA PHE 46 HA PHE 46 -10.205 1.124 0.608 348 HB2 PHE 46 1HB PHE 46 -7.304 0.332 0.293 349 HB3 PHE 46 2HB PHE 46 -8.664 -0.256 -0.657 350 HD1 PHE 46 2HD PHE 46 -9.918 1.401 -2.105 351 HD2 PHE 46 1HD PHE 46 -6.143 2.255 -0.333 352 HE1 PHE 46 2HE PHE 46 -9.574 3.222 -3.723 353 HE2 PHE 46 1HE PHE 46 -5.793 4.078 -1.949 354 HZ PHE 46 HZ PHE 46 -7.509 4.562 -3.647 355 H LYS 47 H LYS 47 -9.081 1.109 3.539 356 HA LYS 47 HA LYS 47 -8.887 -0.363 5.278 357 HB2 LYS 47 1HB LYS 47 -11.018 -1.799 3.684 358 HB3 LYS 47 2HB LYS 47 -10.692 -2.019 5.398 359 HG2 LYS 47 1HG LYS 47 -11.477 0.635 4.235 360 HG3 LYS 47 2HG LYS 47 -12.659 -0.552 4.791 361 HD2 LYS 47 1HD LYS 47 -10.425 0.241 6.604 362 HD3 LYS 47 2HD LYS 47 -11.796 1.333 6.399 363 HE2 LYS 47 1HE LYS 47 -12.340 -1.540 6.950 364 HE3 LYS 47 2HE LYS 47 -11.772 -0.527 8.276 365 HZ1 LYS 47 1HZ LYS 47 -13.975 -0.151 8.479 366 HZ2 LYS 47 2HZ LYS 47 -14.313 -0.471 6.853 367 HZ3 LYS 47 3HZ LYS 47 -13.671 1.028 7.304 368 H VAL 48 H VAL 48 -6.841 -0.792 3.557 369 HA VAL 48 HA VAL 48 -6.650 -3.730 3.396 370 HB VAL 48 HB VAL 48 -4.801 -3.286 1.718 371 HG11 VAL 48 1HG1 VAL 48 -6.279 -3.342 -0.069 372 HG12 VAL 48 2HG1 VAL 48 -7.276 -3.903 1.274 373 HG13 VAL 48 3HG1 VAL 48 -7.416 -2.239 0.705 374 HG21 VAL 48 1HG2 VAL 48 -4.819 -1.136 0.572 375 HG22 VAL 48 2HG2 VAL 48 -6.050 -0.539 1.683 376 HG23 VAL 48 3HG2 VAL 48 -4.437 -0.928 2.281 377 H ASP 49 H ASP 49 -4.343 -4.527 3.567 378 HA ASP 49 HA ASP 49 -2.892 -2.984 5.617 379 HB2 ASP 49 1HB ASP 49 -3.667 -5.858 5.520 380 HB3 ASP 49 2HB ASP 49 -2.100 -5.460 6.220 381 H ILE 50 H ILE 50 -1.187 -2.142 4.586 382 HA ILE 50 HA ILE 50 0.206 -3.689 2.547 383 HB ILE 50 HB ILE 50 0.827 -0.893 3.496 384 HG12 ILE 50 1HG1 ILE 50 -0.756 -1.634 1.038 385 HG13 ILE 50 2HG1 ILE 50 -1.527 -1.265 2.577 386 HG21 ILE 50 1HG2 ILE 50 1.460 -1.426 0.760 387 HG22 ILE 50 2HG2 ILE 50 2.532 -0.959 2.079 388 HG23 ILE 50 3HG2 ILE 50 2.188 -2.663 1.784 389 HD11 ILE 50 1HD1 ILE 50 -1.335 0.605 0.862 390 HD12 ILE 50 2HD1 ILE 50 -0.836 0.962 2.516 391 HD13 ILE 50 3HD1 ILE 50 0.378 0.644 1.277 392 H ARG 51 H ARG 51 1.794 -5.007 3.118 393 HA ARG 51 HA ARG 51 3.309 -4.439 5.569 394 HB2 ARG 51 1HB ARG 51 2.080 -6.711 4.985 395 HB3 ARG 51 2HB ARG 51 3.565 -7.022 4.096 396 HG2 ARG 51 1HG ARG 51 3.546 -6.223 6.991 397 HG3 ARG 51 2HG ARG 51 3.461 -7.903 6.456 398 HD2 ARG 51 1HD ARG 51 5.596 -7.803 5.468 399 HD3 ARG 51 2HD ARG 51 5.635 -6.042 5.542 400 HE ARG 51 HE ARG 51 5.462 -6.825 8.148 401 HH11 ARG 51 1HH1 ARG 51 7.623 -7.531 5.511 402 HH12 ARG 51 2HH1 ARG 51 8.997 -7.788 6.534 403 HH21 ARG 51 1HH2 ARG 51 7.264 -7.161 9.506 404 HH22 ARG 51 2HH2 ARG 51 8.791 -7.579 8.807 405 H PHE 52 H PHE 52 5.126 -3.347 5.219 406 HA PHE 52 HA PHE 52 6.498 -3.454 2.687 407 HB2 PHE 52 1HB PHE 52 6.935 -1.956 5.257 408 HB3 PHE 52 2HB PHE 52 8.159 -1.954 3.991 409 HD1 PHE 52 2HD PHE 52 4.719 -0.965 4.841 410 HD2 PHE 52 1HD PHE 52 7.879 -0.685 2.002 411 HE1 PHE 52 2HE PHE 52 3.528 0.861 3.700 412 HE2 PHE 52 1HE PHE 52 6.693 1.142 0.858 413 HZ PHE 52 HZ PHE 52 4.514 1.917 1.705 414 HA PRO 53 HA PRO 53 9.438 -6.590 3.583 415 HB2 PRO 53 1HB PRO 53 11.568 -5.708 2.148 416 HB3 PRO 53 2HB PRO 53 10.121 -6.393 1.398 417 HG2 PRO 53 1HG PRO 53 10.889 -3.523 1.758 418 HG3 PRO 53 2HG PRO 53 10.183 -4.323 0.342 419 HD2 PRO 53 1HD PRO 53 8.707 -2.851 2.070 420 HD3 PRO 53 2HD PRO 53 8.050 -4.260 1.213 421 H GLN 54 H GLN 54 10.468 -6.875 5.451 422 HA GLN 54 HA GLN 54 11.517 -4.800 7.025 423 HB2 GLN 54 1HB GLN 54 12.476 -6.611 8.414 424 HB3 GLN 54 2HB GLN 54 10.781 -6.875 8.028 425 HG2 GLN 54 1HG GLN 54 11.279 -8.573 6.492 426 HG3 GLN 54 2HG GLN 54 12.982 -8.124 6.423 427 HE21 GLN 54 1HE2 GLN 54 14.380 -8.931 7.904 428 HE22 GLN 54 2HE2 GLN 54 13.941 -10.078 9.120 429 H SER 55 H SER 55 13.828 -4.819 7.863 430 HA SER 55 HA SER 55 15.588 -3.999 5.932 431 HB2 SER 55 1HB SER 55 15.737 -3.903 8.543 432 HB3 SER 55 2HB SER 55 16.650 -5.401 8.365 433 HG SER 55 HG SER 55 17.313 -2.804 7.607 434 H GLY 56 H GLY 56 15.632 -7.204 7.508 435 HA2 GLY 56 1HA GLY 56 17.471 -8.208 5.498 436 HA3 GLY 56 2HA GLY 56 16.856 -9.092 6.887 437 H ALA 57 H ALA 57 14.645 -7.427 4.800 438 HA ALA 57 HA ALA 57 13.204 -9.811 4.237 439 HB1 ALA 57 1HB ALA 57 12.960 -7.034 3.092 440 HB2 ALA 57 2HB ALA 57 11.826 -8.348 2.779 441 HB3 ALA 57 3HB ALA 57 12.025 -7.727 4.417 442 HA PRO 58 HA PRO 58 15.146 -11.260 0.572 443 HB2 PRO 58 1HB PRO 58 13.027 -12.387 -0.698 444 HB3 PRO 58 2HB PRO 58 13.780 -13.101 0.733 445 HG2 PRO 58 1HG PRO 58 11.298 -11.440 0.527 446 HG3 PRO 58 2HG PRO 58 11.587 -12.905 1.483 447 HD2 PRO 58 1HD PRO 58 11.662 -10.423 2.563 448 HD3 PRO 58 2HD PRO 58 12.681 -11.752 3.152 449 H ASP 59 H ASP 59 12.299 -9.223 0.287 450 HA ASP 59 HA ASP 59 13.396 -8.134 -2.210 451 HB2 ASP 59 1HB ASP 59 10.901 -7.846 -2.891 452 HB3 ASP 59 2HB ASP 59 11.673 -9.414 -3.111 453 HA PRO 60 HA PRO 60 12.689 -4.697 0.720 454 HB2 PRO 60 1HB PRO 60 14.720 -3.181 -0.254 455 HB3 PRO 60 2HB PRO 60 14.964 -4.463 0.939 456 HG2 PRO 60 1HG PRO 60 15.388 -4.526 -2.024 457 HG3 PRO 60 2HG PRO 60 16.411 -5.183 -0.734 458 HD2 PRO 60 1HD PRO 60 14.734 -6.729 -2.194 459 HD3 PRO 60 2HD PRO 60 15.111 -7.071 -0.493 460 H ASN 61 H ASN 61 12.241 -5.165 -2.544 461 HA ASN 61 HA ASN 61 11.226 -2.422 -2.908 462 HB2 ASN 61 1HB ASN 61 11.457 -3.095 -5.431 463 HB3 ASN 61 2HB ASN 61 12.873 -2.556 -4.533 464 HD21 ASN 61 1HD2 ASN 61 14.605 -3.748 -4.787 465 HD22 ASN 61 2HD2 ASN 61 14.641 -5.428 -5.191 466 H CYS 62 H CYS 62 10.098 -5.191 -1.999 467 HA CYS 62 HA CYS 62 7.671 -5.007 -3.654 468 HB2 CYS 62 1HB CYS 62 9.166 -7.068 -4.059 469 HB3 CYS 62 2HB CYS 62 8.626 -7.605 -2.473 470 HG CYS 62 HG CYS 62 6.924 -9.025 -3.901 471 H VAL 63 H VAL 63 5.762 -4.982 -2.583 472 HA VAL 63 HA VAL 63 5.868 -5.289 0.348 473 HB VAL 63 HB VAL 63 4.164 -3.589 0.568 474 HG11 VAL 63 1HG1 VAL 63 5.473 -1.651 -0.617 475 HG12 VAL 63 2HG1 VAL 63 6.207 -2.547 0.715 476 HG13 VAL 63 3HG1 VAL 63 6.643 -2.928 -0.951 477 HG21 VAL 63 1HG2 VAL 63 3.981 -2.329 -1.891 478 HG22 VAL 63 2HG2 VAL 63 3.858 -4.044 -2.281 479 HG23 VAL 63 3HG2 VAL 63 2.738 -3.320 -1.127 480 H THR 64 H THR 64 4.114 -6.260 1.376 481 HA THR 64 HA THR 64 2.446 -7.907 -0.392 482 HB THR 64 HB THR 64 3.031 -8.245 2.557 483 HG1 THR 64 1HG THR 64 4.826 -9.002 1.679 484 HG21 THR 64 1HG2 THR 64 0.811 -9.130 1.378 485 HG22 THR 64 2HG2 THR 64 1.667 -10.075 2.597 486 HG23 THR 64 3HG2 THR 64 1.903 -10.424 0.885 487 H VAL 65 H VAL 65 0.582 -6.898 -0.839 488 HA VAL 65 HA VAL 65 -0.778 -5.366 1.246 489 HB VAL 65 HB VAL 65 -1.431 -5.659 -1.690 490 HG11 VAL 65 1HG1 VAL 65 -3.219 -4.261 -1.426 491 HG12 VAL 65 2HG1 VAL 65 -3.264 -5.096 0.128 492 HG13 VAL 65 3HG1 VAL 65 -2.546 -3.489 0.009 493 HG21 VAL 65 1HG2 VAL 65 0.542 -4.416 -1.596 494 HG22 VAL 65 2HG2 VAL 65 -0.724 -3.188 -1.641 495 HG23 VAL 65 3HG2 VAL 65 0.062 -3.589 -0.113 496 H THR 66 H THR 66 -2.260 -6.311 2.466 497 HA THR 66 HA THR 66 -3.585 -8.739 1.481 498 HB THR 66 HB THR 66 -3.636 -7.724 4.320 499 HG1 THR 66 1HG THR 66 -1.455 -8.262 3.249 500 HG21 THR 66 1HG2 THR 66 -3.928 -10.523 3.231 501 HG22 THR 66 2HG2 THR 66 -5.289 -9.457 3.581 502 HG23 THR 66 3HG2 THR 66 -4.219 -9.978 4.882 503 H GLY 67 H GLY 67 -5.840 -9.001 1.652 504 HA2 GLY 67 1HA GLY 67 -7.899 -7.826 2.622 505 HA3 GLY 67 2HA GLY 67 -7.303 -6.443 1.716 506 H LEU 68 H LEU 68 -9.831 -7.360 1.256 507 HA LEU 68 HA LEU 68 -10.397 -9.290 -0.540 508 HB2 LEU 68 1HB LEU 68 -11.393 -6.469 -0.366 509 HB3 LEU 68 2HB LEU 68 -12.012 -7.575 -1.589 510 HG LEU 68 HG LEU 68 -13.577 -7.638 0.157 511 HD11 LEU 68 1HD1 LEU 68 -11.793 -9.987 0.748 512 HD12 LEU 68 2HD1 LEU 68 -12.775 -9.858 -0.710 513 HD13 LEU 68 3HD1 LEU 68 -13.550 -9.896 0.874 514 HD21 LEU 68 1HD2 LEU 68 -11.363 -8.117 2.142 515 HD22 LEU 68 2HD2 LEU 68 -13.069 -7.820 2.477 516 HD23 LEU 68 3HD2 LEU 68 -12.062 -6.530 1.818 517 HA PRO 69 HA PRO 69 -8.109 -8.620 -4.233 518 HB2 PRO 69 1HB PRO 69 -9.770 -9.790 -6.033 519 HB3 PRO 69 2HB PRO 69 -8.803 -10.713 -4.877 520 HG2 PRO 69 1HG PRO 69 -11.692 -9.941 -4.740 521 HG3 PRO 69 2HG PRO 69 -10.927 -11.491 -4.340 522 HD2 PRO 69 1HD PRO 69 -11.641 -9.688 -2.450 523 HD3 PRO 69 2HD PRO 69 -10.237 -10.758 -2.266 524 H GLU 70 H GLU 70 -11.227 -7.282 -3.742 525 HA GLU 70 HA GLU 70 -11.196 -5.786 -6.243 526 HB2 GLU 70 1HB GLU 70 -13.387 -4.932 -5.504 527 HB3 GLU 70 2HB GLU 70 -13.332 -6.689 -5.522 528 HG2 GLU 70 1HG GLU 70 -13.000 -6.707 -3.104 529 HG3 GLU 70 2HG GLU 70 -13.053 -4.945 -3.084 530 H ASN 71 H ASN 71 -10.508 -5.371 -2.867 531 HA ASN 71 HA ASN 71 -10.397 -2.472 -3.080 532 HB2 ASN 71 1HB ASN 71 -9.881 -4.366 -0.781 533 HB3 ASN 71 2HB ASN 71 -9.702 -2.618 -0.663 534 HD21 ASN 71 1HD2 ASN 71 -11.469 -4.246 0.855 535 HD22 ASN 71 2HD2 ASN 71 -13.081 -3.742 0.489 536 H VAL 72 H VAL 72 -8.229 -5.228 -2.806 537 HA VAL 72 HA VAL 72 -5.833 -3.875 -2.318 538 HB VAL 72 HB VAL 72 -6.396 -6.468 -3.742 539 HG11 VAL 72 1HG1 VAL 72 -3.957 -4.912 -3.745 540 HG12 VAL 72 2HG1 VAL 72 -3.722 -6.494 -2.999 541 HG13 VAL 72 3HG1 VAL 72 -4.360 -6.377 -4.639 542 HG21 VAL 72 1HG2 VAL 72 -6.724 -6.110 -1.214 543 HG22 VAL 72 2HG2 VAL 72 -5.796 -7.512 -1.745 544 HG23 VAL 72 3HG2 VAL 72 -4.962 -6.082 -1.137 545 H GLU 73 H GLU 73 -7.160 -4.974 -5.443 546 HA GLU 73 HA GLU 73 -5.245 -4.016 -7.145 547 HB2 GLU 73 1HB GLU 73 -6.971 -3.884 -8.860 548 HB3 GLU 73 2HB GLU 73 -7.197 -5.320 -7.873 549 HG2 GLU 73 1HG GLU 73 -8.928 -4.102 -6.585 550 HG3 GLU 73 2HG GLU 73 -8.754 -2.752 -7.705 551 H GLU 74 H GLU 74 -7.947 -2.205 -5.739 552 HA GLU 74 HA GLU 74 -7.440 0.219 -7.096 553 HB2 GLU 74 1HB GLU 74 -8.843 -0.324 -4.476 554 HB3 GLU 74 2HB GLU 74 -8.827 1.241 -5.277 555 HG2 GLU 74 1HG GLU 74 -10.078 -1.311 -6.246 556 HG3 GLU 74 2HG GLU 74 -10.881 0.197 -5.812 557 H ALA 75 H ALA 75 -6.625 -0.808 -3.783 558 HA ALA 75 HA ALA 75 -5.293 1.413 -2.890 559 HB1 ALA 75 1HB ALA 75 -5.598 -1.212 -2.026 560 HB2 ALA 75 2HB ALA 75 -3.853 -0.967 -2.114 561 HB3 ALA 75 3HB ALA 75 -4.847 0.116 -1.140 562 H ILE 76 H ILE 76 -3.939 -1.253 -4.810 563 HA ILE 76 HA ILE 76 -1.291 -0.481 -4.891 564 HB ILE 76 HB ILE 76 -2.905 -1.727 -7.119 565 HG12 ILE 76 1HG1 ILE 76 -1.061 -3.093 -5.160 566 HG13 ILE 76 2HG1 ILE 76 -2.784 -2.901 -4.855 567 HG21 ILE 76 1HG2 ILE 76 -1.033 -1.130 -8.270 568 HG22 ILE 76 2HG2 ILE 76 -0.018 -1.111 -6.829 569 HG23 ILE 76 3HG2 ILE 76 -0.460 -2.646 -7.576 570 HD11 ILE 76 1HD1 ILE 76 -3.261 -4.652 -6.119 571 HD12 ILE 76 2HD1 ILE 76 -2.324 -4.011 -7.469 572 HD13 ILE 76 3HD1 ILE 76 -1.530 -4.970 -6.220 573 H ASP 77 H ASP 77 -3.807 0.368 -7.275 574 HA ASP 77 HA ASP 77 -2.430 1.971 -8.973 575 HB2 ASP 77 1HB ASP 77 -4.941 1.419 -8.938 576 HB3 ASP 77 2HB ASP 77 -5.113 2.844 -7.918 577 H HIS 78 H HIS 78 -3.642 2.885 -5.779 578 HA HIS 78 HA HIS 78 -2.866 5.609 -5.941 579 HB2 HIS 78 1HB HIS 78 -4.556 4.818 -4.343 580 HB3 HIS 78 2HB HIS 78 -3.327 3.878 -3.502 581 HD1 HIS 78 1HD HIS 78 -5.112 6.828 -3.040 582 HD2 HIS 78 2HD HIS 78 -1.070 5.901 -2.777 583 HE1 HIS 78 1HE HIS 78 -4.102 8.625 -1.599 584 H ILE 79 H ILE 79 -1.326 2.732 -4.555 585 HA ILE 79 HA ILE 79 0.894 3.968 -3.406 586 HB ILE 79 HB ILE 79 0.796 1.228 -4.675 587 HG12 ILE 79 1HG1 ILE 79 0.312 2.013 -1.794 588 HG13 ILE 79 2HG1 ILE 79 -0.968 1.666 -2.951 589 HG21 ILE 79 1HG2 ILE 79 2.910 2.690 -3.418 590 HG22 ILE 79 2HG2 ILE 79 2.493 1.288 -2.433 591 HG23 ILE 79 3HG2 ILE 79 2.940 1.075 -4.125 592 HD11 ILE 79 1HD1 ILE 79 -0.454 -0.223 -1.460 593 HD12 ILE 79 2HD1 ILE 79 -0.217 -0.606 -3.165 594 HD13 ILE 79 3HD1 ILE 79 1.175 -0.279 -2.134 595 H LEU 80 H LEU 80 0.780 2.290 -6.557 596 HA LEU 80 HA LEU 80 3.298 3.053 -7.448 597 HB2 LEU 80 1HB LEU 80 0.786 2.165 -8.754 598 HB3 LEU 80 2HB LEU 80 2.028 2.881 -9.779 599 HG LEU 80 HG LEU 80 2.620 0.574 -7.946 600 HD11 LEU 80 1HD1 LEU 80 2.086 0.128 -10.834 601 HD12 LEU 80 2HD1 LEU 80 0.709 0.270 -9.741 602 HD13 LEU 80 3HD1 LEU 80 1.927 -0.976 -9.467 603 HD21 LEU 80 1HD2 LEU 80 4.615 0.438 -9.019 604 HD22 LEU 80 2HD2 LEU 80 4.322 2.163 -9.241 605 HD23 LEU 80 3HD2 LEU 80 3.962 1.032 -10.546 606 H ASN 81 H ASN 81 0.210 4.738 -7.677 607 HA ASN 81 HA ASN 81 0.848 6.753 -9.454 608 HB2 ASN 81 1HB ASN 81 -1.390 6.702 -8.788 609 HB3 ASN 81 2HB ASN 81 -0.980 6.639 -7.076 610 HD21 ASN 81 1HD2 ASN 81 -2.483 8.350 -6.772 611 HD22 ASN 81 2HD2 ASN 81 -2.037 9.981 -7.126 612 H LEU 82 H LEU 82 1.376 6.686 -5.941 613 HA LEU 82 HA LEU 82 2.596 9.251 -5.832 614 HB2 LEU 82 1HB LEU 82 2.925 6.984 -3.878 615 HB3 LEU 82 2HB LEU 82 3.173 8.701 -3.570 616 HG LEU 82 HG LEU 82 0.505 7.448 -4.210 617 HD11 LEU 82 1HD1 LEU 82 0.260 8.235 -1.672 618 HD12 LEU 82 2HD1 LEU 82 1.974 7.821 -1.671 619 HD13 LEU 82 3HD1 LEU 82 0.776 6.610 -2.125 620 HD21 LEU 82 1HD2 LEU 82 0.064 9.599 -4.702 621 HD22 LEU 82 2HD2 LEU 82 1.472 10.201 -3.825 622 HD23 LEU 82 3HD2 LEU 82 -0.001 9.782 -2.949 623 H GLU 83 H GLU 83 3.909 5.945 -5.787 624 HA GLU 83 HA GLU 83 6.558 6.341 -5.465 625 HB2 GLU 83 1HB GLU 83 5.639 4.133 -5.854 626 HB3 GLU 83 2HB GLU 83 5.247 4.551 -7.516 627 HG2 GLU 83 1HG GLU 83 8.076 4.772 -6.648 628 HG3 GLU 83 2HG GLU 83 7.399 3.164 -6.899 629 H GLU 84 H GLU 84 4.723 7.013 -8.403 630 HA GLU 84 HA GLU 84 6.996 7.711 -9.978 631 HB2 GLU 84 1HB GLU 84 4.639 7.007 -10.765 632 HB3 GLU 84 2HB GLU 84 4.200 8.688 -10.497 633 HG2 GLU 84 1HG GLU 84 6.017 9.352 -12.050 634 HG3 GLU 84 2HG GLU 84 6.289 7.645 -12.392 635 H GLU 85 H GLU 85 4.558 9.589 -8.209 636 HA GLU 85 HA GLU 85 5.420 12.142 -8.923 637 HB2 GLU 85 1HB GLU 85 3.312 11.813 -7.790 638 HB3 GLU 85 2HB GLU 85 4.128 11.173 -6.370 639 HG2 GLU 85 1HG GLU 85 3.405 13.436 -5.968 640 HG3 GLU 85 2HG GLU 85 5.165 13.357 -5.988 641 H TYR 86 H TYR 86 6.289 10.230 -6.044 642 HA TYR 86 HA TYR 86 8.103 12.049 -4.950 643 HB2 TYR 86 1HB TYR 86 8.016 9.033 -4.763 644 HB3 TYR 86 2HB TYR 86 9.062 10.049 -3.778 645 HD1 TYR 86 2HD TYR 86 7.475 12.213 -2.870 646 HD2 TYR 86 1HD TYR 86 6.285 8.179 -3.508 647 HE1 TYR 86 2HE TYR 86 5.664 12.495 -1.230 648 HE2 TYR 86 1HE TYR 86 4.469 8.449 -1.871 649 HH TYR 86 HH TYR 86 4.295 11.029 0.270 650 H LEU 87 H LEU 87 8.782 9.185 -6.966 651 HA LEU 87 HA LEU 87 11.510 9.433 -7.198 652 HB2 LEU 87 1HB LEU 87 9.393 8.376 -9.015 653 HB3 LEU 87 2HB LEU 87 11.054 8.481 -9.596 654 HG LEU 87 HG LEU 87 10.187 6.945 -7.147 655 HD11 LEU 87 1HD1 LEU 87 9.549 6.246 -9.667 656 HD12 LEU 87 2HD1 LEU 87 9.903 5.087 -8.387 657 HD13 LEU 87 3HD1 LEU 87 11.157 5.533 -9.543 658 HD21 LEU 87 1HD2 LEU 87 12.679 7.896 -7.821 659 HD22 LEU 87 2HD2 LEU 87 12.696 6.249 -8.452 660 HD23 LEU 87 3HD2 LEU 87 12.345 6.538 -6.747 661 H ALA 88 H ALA 88 9.046 10.901 -9.305 662 HA ALA 88 HA ALA 88 10.575 12.168 -11.163 663 HB1 ALA 88 1HB ALA 88 8.399 12.592 -11.590 664 HB2 ALA 88 2HB ALA 88 7.986 12.778 -9.885 665 HB3 ALA 88 3HB ALA 88 8.761 14.103 -10.754 666 H ASP 89 H ASP 89 10.129 13.104 -7.806 667 HA ASP 89 HA ASP 89 11.979 15.357 -8.215 668 HB2 ASP 89 1HB ASP 89 9.615 15.688 -7.196 669 HB3 ASP 89 2HB ASP 89 10.312 14.973 -5.745 670 H SER 90 H SER 90 13.133 12.884 -8.156 671 HA SER 90 HA SER 90 14.058 12.379 -5.441 672 HB2 SER 90 1HB SER 90 15.244 10.454 -6.451 673 HB3 SER 90 2HB SER 90 13.522 10.443 -6.831 674 HG SER 90 HG SER 90 15.714 10.987 -8.494 675 H GLY 91 H GLY 91 15.398 13.319 -8.595 676 HA2 GLY 91 1HA GLY 91 17.414 14.928 -7.324 677 HA3 GLY 91 2HA GLY 91 18.069 13.471 -8.057 678 HA PRO 92 HA PRO 92 16.218 16.263 -11.582 679 HB2 PRO 92 1HB PRO 92 15.918 18.879 -10.920 680 HB3 PRO 92 2HB PRO 92 14.625 17.688 -10.738 681 HG2 PRO 92 1HG PRO 92 16.502 18.775 -8.675 682 HG3 PRO 92 2HG PRO 92 14.758 18.478 -8.555 683 HD2 PRO 92 1HD PRO 92 16.599 16.776 -7.534 684 HD3 PRO 92 2HD PRO 92 15.041 16.222 -8.179 685 H SER 93 H SER 93 18.363 15.827 -12.269 686 HA SER 93 HA SER 93 20.387 17.855 -11.683 687 HB2 SER 93 1HB SER 93 20.548 15.146 -13.014 688 HB3 SER 93 2HB SER 93 21.913 16.259 -12.919 689 HG SER 93 HG SER 93 22.236 15.474 -11.008 690 H SER 94 H SER 94 20.230 19.595 -12.949 691 HA SER 94 HA SER 94 20.251 19.192 -15.848 692 HB2 SER 94 1HB SER 94 18.502 20.728 -16.279 693 HB3 SER 94 2HB SER 94 17.889 19.698 -14.986 694 HG SER 94 HG SER 94 17.487 21.659 -14.208 695 H GLY 95 H GLY 95 21.297 20.815 -17.020 696 HA2 GLY 95 1HA GLY 95 22.910 22.635 -15.351 697 HA3 GLY 95 2HA GLY 95 23.413 21.990 -16.906 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -37.632 4.857 -7.524 2 HA2 GLY 1 1HA GLY 1 -35.837 7.115 -7.126 3 HA3 GLY 1 2HA GLY 1 -35.900 5.944 -5.817 4 H SER 2 H SER 2 -33.536 5.913 -6.479 5 HA SER 2 HA SER 2 -33.155 3.642 -8.276 6 HB2 SER 2 1HB SER 2 -31.556 6.203 -8.505 7 HB3 SER 2 2HB SER 2 -31.271 4.723 -9.421 8 HG SER 2 HG SER 2 -33.338 6.598 -9.651 9 H SER 3 H SER 3 -31.188 2.493 -7.926 10 HA SER 3 HA SER 3 -29.505 3.269 -5.696 11 HB2 SER 3 1HB SER 3 -29.917 1.326 -4.349 12 HB3 SER 3 2HB SER 3 -31.482 2.063 -4.693 13 HG SER 3 HG SER 3 -31.964 0.449 -6.059 14 H GLY 4 H GLY 4 -27.477 2.805 -6.222 15 HA2 GLY 4 1HA GLY 4 -26.827 0.304 -7.547 16 HA3 GLY 4 2HA GLY 4 -26.508 1.753 -8.488 17 H SER 5 H SER 5 -26.030 0.799 -5.084 18 HA SER 5 HA SER 5 -23.240 1.715 -5.343 19 HB2 SER 5 1HB SER 5 -25.136 1.869 -2.997 20 HB3 SER 5 2HB SER 5 -23.395 2.098 -2.830 21 HG SER 5 HG SER 5 -23.695 4.061 -3.478 22 H SER 6 H SER 6 -21.917 0.725 -3.384 23 HA SER 6 HA SER 6 -22.499 -2.163 -3.303 24 HB2 SER 6 1HB SER 6 -19.964 -0.709 -3.932 25 HB3 SER 6 2HB SER 6 -19.862 -2.259 -3.098 26 HG SER 6 HG SER 6 -21.339 -2.983 -4.879 27 H GLY 7 H GLY 7 -20.666 0.438 -1.699 28 HA2 GLY 7 1HA GLY 7 -20.650 0.954 0.575 29 HA3 GLY 7 2HA GLY 7 -21.604 -0.489 0.884 30 H ARG 8 H ARG 8 -18.362 0.732 0.292 31 HA ARG 8 HA ARG 8 -16.853 -1.554 0.389 32 HB2 ARG 8 1HB ARG 8 -16.377 1.238 1.354 33 HB3 ARG 8 2HB ARG 8 -15.192 -0.008 1.723 34 HG2 ARG 8 1HG ARG 8 -14.329 0.764 -0.229 35 HG3 ARG 8 2HG ARG 8 -15.407 -0.478 -0.868 36 HD2 ARG 8 1HD ARG 8 -17.159 1.364 -1.037 37 HD3 ARG 8 2HD ARG 8 -15.835 2.495 -0.761 38 HE ARG 8 HE ARG 8 -15.250 0.686 -2.880 39 HH11 ARG 8 1HH1 ARG 8 -17.031 3.569 -2.083 40 HH12 ARG 8 2HH1 ARG 8 -17.017 4.182 -3.703 41 HH21 ARG 8 1HH2 ARG 8 -15.225 1.483 -5.017 42 HH22 ARG 8 2HH2 ARG 8 -15.991 2.995 -5.371 43 H ILE 9 H ILE 9 -16.025 -2.888 1.958 44 HA ILE 9 HA ILE 9 -16.723 -2.403 4.748 45 HB ILE 9 HB ILE 9 -17.406 -4.930 4.819 46 HG12 ILE 9 1HG1 ILE 9 -18.262 -4.198 2.014 47 HG13 ILE 9 2HG1 ILE 9 -16.891 -5.240 2.376 48 HG21 ILE 9 1HG2 ILE 9 -19.083 -2.586 4.011 49 HG22 ILE 9 2HG2 ILE 9 -19.809 -4.175 4.246 50 HG23 ILE 9 3HG2 ILE 9 -18.965 -3.387 5.578 51 HD11 ILE 9 1HD1 ILE 9 -19.696 -5.866 2.258 52 HD12 ILE 9 2HD1 ILE 9 -18.300 -6.943 2.318 53 HD13 ILE 9 3HD1 ILE 9 -19.004 -6.327 3.813 54 H VAL 10 H VAL 10 -15.903 -4.518 6.024 55 HA VAL 10 HA VAL 10 -13.068 -4.632 5.448 56 HB VAL 10 HB VAL 10 -14.643 -5.871 7.710 57 HG11 VAL 10 1HG1 VAL 10 -12.590 -6.369 8.763 58 HG12 VAL 10 2HG1 VAL 10 -12.429 -6.945 7.103 59 HG13 VAL 10 3HG1 VAL 10 -11.671 -5.428 7.589 60 HG21 VAL 10 1HG2 VAL 10 -14.831 -3.668 8.228 61 HG22 VAL 10 2HG2 VAL 10 -13.218 -3.945 8.883 62 HG23 VAL 10 3HG2 VAL 10 -13.408 -3.211 7.291 63 H GLY 11 H GLY 11 -15.781 -6.910 5.691 64 HA2 GLY 11 1HA GLY 11 -16.082 -8.873 4.475 65 HA3 GLY 11 2HA GLY 11 -14.462 -8.684 3.819 66 H GLU 12 H GLU 12 -14.568 -11.087 4.254 67 HA GLU 12 HA GLU 12 -14.088 -11.765 7.057 68 HB2 GLU 12 1HB GLU 12 -14.657 -13.390 4.593 69 HB3 GLU 12 2HB GLU 12 -14.014 -14.143 6.045 70 HG2 GLU 12 1HG GLU 12 -16.419 -12.420 6.297 71 HG3 GLU 12 2HG GLU 12 -16.598 -14.020 5.580 72 H LEU 13 H LEU 13 -12.199 -12.752 7.775 73 HA LEU 13 HA LEU 13 -9.793 -11.831 6.782 74 HB2 LEU 13 1HB LEU 13 -10.541 -14.088 8.586 75 HB3 LEU 13 2HB LEU 13 -8.865 -13.911 8.072 76 HG LEU 13 HG LEU 13 -9.205 -11.453 8.966 77 HD11 LEU 13 1HD1 LEU 13 -11.527 -11.577 9.495 78 HD12 LEU 13 2HD1 LEU 13 -10.632 -11.515 11.013 79 HD13 LEU 13 3HD1 LEU 13 -11.291 -13.047 10.441 80 HD21 LEU 13 1HD2 LEU 13 -8.311 -13.955 10.148 81 HD22 LEU 13 2HD2 LEU 13 -8.809 -12.770 11.356 82 HD23 LEU 13 3HD2 LEU 13 -7.564 -12.357 10.176 83 H GLU 14 H GLU 14 -11.121 -15.122 6.418 84 HA GLU 14 HA GLU 14 -9.120 -16.120 4.751 85 HB2 GLU 14 1HB GLU 14 -12.007 -16.843 5.151 86 HB3 GLU 14 2HB GLU 14 -11.040 -17.667 3.936 87 HG2 GLU 14 1HG GLU 14 -9.401 -18.200 5.773 88 HG3 GLU 14 2HG GLU 14 -10.614 -17.612 6.908 89 H GLN 15 H GLN 15 -12.074 -14.351 3.980 90 HA GLN 15 HA GLN 15 -12.053 -14.657 1.207 91 HB2 GLN 15 1HB GLN 15 -13.171 -12.616 3.079 92 HB3 GLN 15 2HB GLN 15 -13.171 -12.267 1.355 93 HG2 GLN 15 1HG GLN 15 -14.256 -14.870 2.312 94 HG3 GLN 15 2HG GLN 15 -15.224 -13.408 2.490 95 HE21 GLN 15 1HE2 GLN 15 -13.464 -15.358 0.139 96 HE22 GLN 15 2HE2 GLN 15 -14.454 -14.946 -1.215 97 H MET 16 H MET 16 -10.417 -12.295 3.268 98 HA MET 16 HA MET 16 -9.454 -10.538 1.376 99 HB2 MET 16 1HB MET 16 -8.063 -11.553 3.861 100 HB3 MET 16 2HB MET 16 -7.562 -10.139 2.943 101 HG2 MET 16 1HG MET 16 -9.864 -9.200 3.375 102 HG3 MET 16 2HG MET 16 -10.087 -10.522 4.518 103 HE1 MET 16 1HE MET 16 -10.235 -7.402 5.938 104 HE2 MET 16 2HE MET 16 -10.711 -9.077 6.216 105 HE3 MET 16 3HE MET 16 -9.601 -8.279 7.331 106 H VAL 17 H VAL 17 -7.420 -10.355 0.294 107 HA VAL 17 HA VAL 17 -6.013 -12.899 -0.151 108 HB VAL 17 HB VAL 17 -5.823 -12.347 -2.562 109 HG11 VAL 17 1HG1 VAL 17 -8.737 -12.411 -2.207 110 HG12 VAL 17 2HG1 VAL 17 -7.664 -13.552 -3.021 111 HG13 VAL 17 3HG1 VAL 17 -7.847 -13.610 -1.268 112 HG21 VAL 17 1HG2 VAL 17 -8.073 -10.408 -2.262 113 HG22 VAL 17 2HG2 VAL 17 -6.414 -9.857 -2.031 114 HG23 VAL 17 3HG2 VAL 17 -6.899 -10.573 -3.567 115 H SER 18 H SER 18 -3.826 -12.752 -0.497 116 HA SER 18 HA SER 18 -2.645 -10.126 0.048 117 HB2 SER 18 1HB SER 18 -1.826 -11.693 1.600 118 HB3 SER 18 2HB SER 18 -1.652 -12.949 0.374 119 HG SER 18 HG SER 18 -0.170 -10.591 0.100 120 H GLU 19 H GLU 19 -1.799 -8.998 -1.562 121 HA GLU 19 HA GLU 19 -0.893 -10.442 -3.966 122 HB2 GLU 19 1HB GLU 19 -2.372 -7.876 -3.611 123 HB3 GLU 19 2HB GLU 19 -1.262 -8.013 -4.966 124 HG2 GLU 19 1HG GLU 19 -3.164 -8.732 -5.967 125 HG3 GLU 19 2HG GLU 19 -2.562 -10.272 -5.357 126 H ASP 20 H ASP 20 0.928 -9.548 -5.108 127 HA ASP 20 HA ASP 20 2.809 -8.208 -3.288 128 HB2 ASP 20 1HB ASP 20 3.395 -9.859 -5.756 129 HB3 ASP 20 2HB ASP 20 4.591 -9.177 -4.657 130 H VAL 21 H VAL 21 3.128 -6.123 -3.648 131 HA VAL 21 HA VAL 21 2.806 -5.093 -6.388 132 HB VAL 21 HB VAL 21 2.805 -3.316 -3.978 133 HG11 VAL 21 1HG1 VAL 21 0.917 -2.738 -6.081 134 HG12 VAL 21 2HG1 VAL 21 2.235 -1.749 -5.450 135 HG13 VAL 21 3HG1 VAL 21 2.547 -2.927 -6.725 136 HG21 VAL 21 1HG2 VAL 21 0.426 -4.858 -5.010 137 HG22 VAL 21 2HG2 VAL 21 1.200 -5.062 -3.438 138 HG23 VAL 21 3HG2 VAL 21 0.364 -3.557 -3.821 139 HA PRO 22 HA PRO 22 7.224 -4.492 -6.225 140 HB2 PRO 22 1HB PRO 22 7.437 -3.414 -8.707 141 HB3 PRO 22 2HB PRO 22 7.241 -5.148 -8.427 142 HG2 PRO 22 1HG PRO 22 5.187 -3.108 -9.187 143 HG3 PRO 22 2HG PRO 22 5.415 -4.752 -9.811 144 HD2 PRO 22 1HD PRO 22 3.530 -4.143 -7.965 145 HD3 PRO 22 2HD PRO 22 4.347 -5.718 -8.011 146 H LEU 23 H LEU 23 7.518 -2.874 -4.724 147 HA LEU 23 HA LEU 23 7.196 -0.116 -5.710 148 HB2 LEU 23 1HB LEU 23 5.716 -0.891 -3.776 149 HB3 LEU 23 2HB LEU 23 7.190 -0.896 -2.810 150 HG LEU 23 HG LEU 23 7.444 1.548 -3.424 151 HD11 LEU 23 1HD1 LEU 23 6.105 2.263 -5.058 152 HD12 LEU 23 2HD1 LEU 23 4.837 2.304 -3.833 153 HD13 LEU 23 3HD1 LEU 23 5.007 0.894 -4.879 154 HD21 LEU 23 1HD2 LEU 23 4.921 0.976 -1.897 155 HD22 LEU 23 2HD2 LEU 23 6.107 2.253 -1.627 156 HD23 LEU 23 3HD2 LEU 23 6.515 0.576 -1.259 157 H ASP 24 H ASP 24 8.953 1.153 -5.713 158 HA ASP 24 HA ASP 24 11.514 0.028 -5.206 159 HB2 ASP 24 1HB ASP 24 10.905 1.834 -6.917 160 HB3 ASP 24 2HB ASP 24 10.950 2.967 -5.568 161 H HIS 25 H HIS 25 13.069 0.645 -3.662 162 HA HIS 25 HA HIS 25 11.991 1.138 -1.058 163 HB2 HIS 25 1HB HIS 25 13.838 -0.368 -1.201 164 HB3 HIS 25 2HB HIS 25 14.811 0.805 -2.083 165 HD1 HIS 25 1HD HIS 25 16.710 0.847 -0.381 166 HD2 HIS 25 2HD HIS 25 13.010 1.812 1.245 167 HE1 HIS 25 1HE HIS 25 17.199 1.745 1.916 168 H ARG 26 H ARG 26 13.018 3.138 -3.574 169 HA ARG 26 HA ARG 26 14.103 5.285 -2.041 170 HB2 ARG 26 1HB ARG 26 12.920 5.306 -4.824 171 HB3 ARG 26 2HB ARG 26 13.886 6.590 -4.111 172 HG2 ARG 26 1HG ARG 26 14.988 3.821 -4.338 173 HG3 ARG 26 2HG ARG 26 14.998 4.911 -5.726 174 HD2 ARG 26 1HD ARG 26 17.056 5.338 -4.776 175 HD3 ARG 26 2HD ARG 26 16.056 6.597 -4.052 176 HE ARG 26 HE ARG 26 15.982 4.398 -2.353 177 HH11 ARG 26 1HH1 ARG 26 18.316 6.681 -3.561 178 HH12 ARG 26 2HH1 ARG 26 19.318 6.602 -2.150 179 HH21 ARG 26 1HH2 ARG 26 17.293 4.284 -0.490 180 HH22 ARG 26 2HH2 ARG 26 18.736 5.238 -0.404 181 H VAL 27 H VAL 27 10.901 4.488 -3.284 182 HA VAL 27 HA VAL 27 9.790 6.944 -2.159 183 HB VAL 27 HB VAL 27 7.721 6.353 -3.262 184 HG11 VAL 27 1HG1 VAL 27 8.449 7.074 -5.248 185 HG12 VAL 27 2HG1 VAL 27 10.063 7.013 -4.537 186 HG13 VAL 27 3HG1 VAL 27 9.466 5.654 -5.489 187 HG21 VAL 27 1HG2 VAL 27 7.159 4.297 -3.978 188 HG22 VAL 27 2HG2 VAL 27 8.763 3.977 -4.637 189 HG23 VAL 27 3HG2 VAL 27 8.460 3.762 -2.913 190 H HIS 28 H HIS 28 10.462 3.863 -1.127 191 HA HIS 28 HA HIS 28 8.256 2.953 0.240 192 HB2 HIS 28 1HB HIS 28 11.193 2.741 0.667 193 HB3 HIS 28 2HB HIS 28 10.147 2.260 2.000 194 HD2 HIS 28 2HD HIS 28 8.675 1.367 -1.421 195 HE1 HIS 28 1HE HIS 28 10.511 -2.140 0.107 196 HE2 HIS 28 2HE HIS 28 9.074 -1.171 -1.721 197 H ALA 29 H ALA 29 10.861 4.789 1.842 198 HA ALA 29 HA ALA 29 9.415 5.403 4.145 199 HB1 ALA 29 1HB ALA 29 11.338 6.313 4.794 200 HB2 ALA 29 2HB ALA 29 11.984 5.872 3.213 201 HB3 ALA 29 3HB ALA 29 11.312 7.482 3.472 202 H ARG 30 H ARG 30 9.856 7.292 1.171 203 HA ARG 30 HA ARG 30 8.627 9.645 1.857 204 HB2 ARG 30 1HB ARG 30 8.790 8.111 -0.708 205 HB3 ARG 30 2HB ARG 30 7.790 9.556 -0.634 206 HG2 ARG 30 1HG ARG 30 10.682 9.538 0.177 207 HG3 ARG 30 2HG ARG 30 10.145 9.867 -1.472 208 HD2 ARG 30 1HD ARG 30 8.995 11.817 -0.814 209 HD3 ARG 30 2HD ARG 30 9.092 11.391 0.894 210 HE ARG 30 HE ARG 30 11.638 11.796 -0.410 211 HH11 ARG 30 1HH1 ARG 30 9.037 13.239 1.399 212 HH12 ARG 30 2HH1 ARG 30 9.999 14.557 1.982 213 HH21 ARG 30 1HH2 ARG 30 12.915 13.527 0.350 214 HH22 ARG 30 2HH2 ARG 30 12.205 14.720 1.383 215 H ILE 31 H ILE 31 7.148 6.550 1.185 216 HA ILE 31 HA ILE 31 4.466 7.682 1.236 217 HB ILE 31 HB ILE 31 5.421 4.841 0.884 218 HG12 ILE 31 1HG1 ILE 31 3.953 6.505 -1.140 219 HG13 ILE 31 2HG1 ILE 31 5.696 6.665 -0.953 220 HG21 ILE 31 1HG2 ILE 31 2.745 5.102 0.061 221 HG22 ILE 31 2HG2 ILE 31 3.376 4.162 1.412 222 HG23 ILE 31 3HG2 ILE 31 2.851 5.826 1.665 223 HD11 ILE 31 1HD1 ILE 31 4.188 4.165 -1.678 224 HD12 ILE 31 2HD1 ILE 31 5.204 5.140 -2.741 225 HD13 ILE 31 3HD1 ILE 31 5.927 4.253 -1.399 226 H ILE 32 H ILE 32 6.338 5.266 3.066 227 HA ILE 32 HA ILE 32 4.573 4.560 5.010 228 HB ILE 32 HB ILE 32 7.512 5.150 5.364 229 HG12 ILE 32 1HG1 ILE 32 6.163 2.467 5.104 230 HG13 ILE 32 2HG1 ILE 32 6.720 3.371 3.700 231 HG21 ILE 32 1HG2 ILE 32 7.455 3.925 7.406 232 HG22 ILE 32 2HG2 ILE 32 6.201 5.160 7.498 233 HG23 ILE 32 3HG2 ILE 32 5.765 3.485 7.163 234 HD11 ILE 32 1HD1 ILE 32 8.445 2.448 5.985 235 HD12 ILE 32 2HD1 ILE 32 8.337 1.691 4.395 236 HD13 ILE 32 3HD1 ILE 32 8.993 3.320 4.553 237 H GLY 33 H GLY 33 6.708 7.414 5.130 238 HA2 GLY 33 1HA GLY 33 6.096 9.523 5.982 239 HA3 GLY 33 2HA GLY 33 4.710 8.779 6.766 240 H ALA 34 H ALA 34 7.325 10.417 7.500 241 HA ALA 34 HA ALA 34 9.001 9.220 9.199 242 HB1 ALA 34 1HB ALA 34 7.498 11.786 9.658 243 HB2 ALA 34 2HB ALA 34 8.834 11.251 10.680 244 HB3 ALA 34 3HB ALA 34 9.108 11.576 8.968 245 H ARG 35 H ARG 35 5.836 10.409 10.354 246 HA ARG 35 HA ARG 35 6.021 8.907 12.783 247 HB2 ARG 35 1HB ARG 35 3.860 10.562 11.504 248 HB3 ARG 35 2HB ARG 35 3.551 9.629 12.962 249 HG2 ARG 35 1HG ARG 35 5.743 11.675 12.727 250 HG3 ARG 35 2HG ARG 35 4.126 12.030 13.338 251 HD2 ARG 35 1HD ARG 35 4.502 10.167 15.013 252 HD3 ARG 35 2HD ARG 35 6.191 10.183 14.508 253 HE ARG 35 HE ARG 35 6.487 12.042 15.789 254 HH11 ARG 35 1HH1 ARG 35 3.100 11.746 15.039 255 HH12 ARG 35 2HH1 ARG 35 2.630 13.089 16.029 256 HH21 ARG 35 1HH2 ARG 35 5.881 13.811 17.094 257 HH22 ARG 35 2HH2 ARG 35 4.213 14.263 17.197 258 H GLY 36 H GLY 36 4.714 8.349 9.619 259 HA2 GLY 36 1HA GLY 36 4.246 6.171 8.806 260 HA3 GLY 36 2HA GLY 36 3.957 5.645 10.457 261 H LYS 37 H LYS 37 2.541 8.607 9.368 262 HA LYS 37 HA LYS 37 -0.106 7.444 9.687 263 HB2 LYS 37 1HB LYS 37 0.562 9.642 10.729 264 HB3 LYS 37 2HB LYS 37 0.608 10.321 9.107 265 HG2 LYS 37 1HG LYS 37 -1.493 10.927 9.766 266 HG3 LYS 37 2HG LYS 37 -1.833 9.386 8.975 267 HD2 LYS 37 1HD LYS 37 -1.854 8.254 11.118 268 HD3 LYS 37 2HD LYS 37 -1.403 9.750 11.940 269 HE2 LYS 37 1HE LYS 37 -3.703 9.634 12.262 270 HE3 LYS 37 2HE LYS 37 -3.542 10.720 10.882 271 HZ1 LYS 37 1HZ LYS 37 -4.039 7.811 10.603 272 HZ2 LYS 37 2HZ LYS 37 -4.149 8.997 9.402 273 HZ3 LYS 37 3HZ LYS 37 -5.281 8.959 10.660 274 H ALA 38 H ALA 38 1.869 8.968 7.197 275 HA ALA 38 HA ALA 38 0.012 9.321 5.187 276 HB1 ALA 38 1HB ALA 38 2.151 8.574 3.735 277 HB2 ALA 38 2HB ALA 38 1.989 10.159 4.494 278 HB3 ALA 38 3HB ALA 38 2.927 8.893 5.287 279 H ILE 39 H ILE 39 1.542 6.366 6.286 280 HA ILE 39 HA ILE 39 0.531 4.795 4.084 281 HB ILE 39 HB ILE 39 2.620 4.096 5.027 282 HG12 ILE 39 1HG1 ILE 39 2.063 1.748 5.707 283 HG13 ILE 39 2HG1 ILE 39 0.368 2.219 5.771 284 HG21 ILE 39 1HG2 ILE 39 2.490 5.013 7.227 285 HG22 ILE 39 2HG2 ILE 39 1.136 3.963 7.643 286 HG23 ILE 39 3HG2 ILE 39 2.739 3.274 7.385 287 HD11 ILE 39 1HD1 ILE 39 1.832 2.764 3.260 288 HD12 ILE 39 2HD1 ILE 39 1.453 1.084 3.641 289 HD13 ILE 39 3HD1 ILE 39 0.158 2.276 3.519 290 H ARG 40 H ARG 40 -0.418 5.578 7.348 291 HA ARG 40 HA ARG 40 -2.273 3.505 7.773 292 HB2 ARG 40 1HB ARG 40 -1.404 5.026 9.541 293 HB3 ARG 40 2HB ARG 40 -2.376 6.324 8.860 294 HG2 ARG 40 1HG ARG 40 -3.618 5.521 10.668 295 HG3 ARG 40 2HG ARG 40 -4.382 4.808 9.245 296 HD2 ARG 40 1HD ARG 40 -4.227 3.038 10.763 297 HD3 ARG 40 2HD ARG 40 -2.865 2.793 9.670 298 HE ARG 40 HE ARG 40 -2.099 4.325 11.934 299 HH11 ARG 40 1HH1 ARG 40 -2.823 1.080 10.903 300 HH12 ARG 40 2HH1 ARG 40 -1.827 0.335 12.108 301 HH21 ARG 40 1HH2 ARG 40 -0.783 3.356 13.526 302 HH22 ARG 40 2HH2 ARG 40 -0.668 1.630 13.600 303 H LYS 41 H LYS 41 -2.843 6.873 6.741 304 HA LYS 41 HA LYS 41 -5.549 6.761 6.293 305 HB2 LYS 41 1HB LYS 41 -5.260 8.603 4.733 306 HB3 LYS 41 2HB LYS 41 -4.189 8.812 6.112 307 HG2 LYS 41 1HG LYS 41 -2.321 7.946 4.780 308 HG3 LYS 41 2HG LYS 41 -3.402 7.780 3.394 309 HD2 LYS 41 1HD LYS 41 -3.222 10.426 4.749 310 HD3 LYS 41 2HD LYS 41 -1.888 9.919 3.710 311 HE2 LYS 41 1HE LYS 41 -3.297 11.091 2.270 312 HE3 LYS 41 2HE LYS 41 -3.709 9.403 1.973 313 HZ1 LYS 41 1HZ LYS 41 -5.469 11.375 2.575 314 HZ2 LYS 41 2HZ LYS 41 -5.272 10.597 4.063 315 HZ3 LYS 41 3HZ LYS 41 -5.774 9.716 2.708 316 H ILE 42 H ILE 42 -2.953 5.800 4.080 317 HA ILE 42 HA ILE 42 -4.531 5.204 1.852 318 HB ILE 42 HB ILE 42 -1.920 3.989 2.752 319 HG12 ILE 42 1HG1 ILE 42 -2.456 5.975 0.541 320 HG13 ILE 42 2HG1 ILE 42 -2.037 6.456 2.182 321 HG21 ILE 42 1HG2 ILE 42 -3.398 3.669 0.146 322 HG22 ILE 42 2HG2 ILE 42 -1.707 3.232 0.389 323 HG23 ILE 42 3HG2 ILE 42 -2.971 2.403 1.297 324 HD11 ILE 42 1HD1 ILE 42 -0.104 6.483 0.698 325 HD12 ILE 42 2HD1 ILE 42 0.089 5.300 1.992 326 HD13 ILE 42 3HD1 ILE 42 -0.334 4.767 0.365 327 H MET 43 H MET 43 -3.386 3.049 4.448 328 HA MET 43 HA MET 43 -4.527 0.685 3.570 329 HB2 MET 43 1HB MET 43 -3.873 1.749 6.296 330 HB3 MET 43 2HB MET 43 -4.685 0.199 6.129 331 HG2 MET 43 1HG MET 43 -2.798 -0.467 4.580 332 HG3 MET 43 2HG MET 43 -1.967 0.985 5.134 333 HE1 MET 43 1HE MET 43 -0.824 0.343 8.585 334 HE2 MET 43 2HE MET 43 0.012 0.422 7.034 335 HE3 MET 43 3HE MET 43 -1.324 1.523 7.373 336 H ASP 44 H ASP 44 -5.936 2.990 5.901 337 HA ASP 44 HA ASP 44 -8.417 1.736 6.153 338 HB2 ASP 44 1HB ASP 44 -7.561 4.605 6.504 339 HB3 ASP 44 2HB ASP 44 -9.214 4.080 6.811 340 H GLU 45 H GLU 45 -7.397 4.336 3.958 341 HA GLU 45 HA GLU 45 -9.674 5.059 2.717 342 HB2 GLU 45 1HB GLU 45 -7.446 5.887 2.082 343 HB3 GLU 45 2HB GLU 45 -7.100 4.353 1.296 344 HG2 GLU 45 1HG GLU 45 -7.687 5.819 -0.429 345 HG3 GLU 45 2HG GLU 45 -9.108 4.807 -0.174 346 H PHE 46 H PHE 46 -7.853 2.097 2.000 347 HA PHE 46 HA PHE 46 -10.167 1.126 0.462 348 HB2 PHE 46 1HB PHE 46 -7.361 0.012 0.385 349 HB3 PHE 46 2HB PHE 46 -8.680 -0.322 -0.732 350 HD1 PHE 46 2HD PHE 46 -9.358 1.345 -2.388 351 HD2 PHE 46 1HD PHE 46 -6.036 1.991 0.193 352 HE1 PHE 46 2HE PHE 46 -8.582 3.166 -3.849 353 HE2 PHE 46 1HE PHE 46 -5.255 3.814 -1.263 354 HZ PHE 46 HZ PHE 46 -6.527 4.403 -3.287 355 H LYS 47 H LYS 47 -8.888 0.937 3.455 356 HA LYS 47 HA LYS 47 -9.133 -0.481 5.216 357 HB2 LYS 47 1HB LYS 47 -11.155 -1.798 3.394 358 HB3 LYS 47 2HB LYS 47 -10.981 -2.127 5.113 359 HG2 LYS 47 1HG LYS 47 -11.561 0.624 4.063 360 HG3 LYS 47 2HG LYS 47 -12.835 -0.543 4.421 361 HD2 LYS 47 1HD LYS 47 -12.100 -0.682 6.727 362 HD3 LYS 47 2HD LYS 47 -10.748 0.400 6.386 363 HE2 LYS 47 1HE LYS 47 -13.523 1.309 5.784 364 HE3 LYS 47 2HE LYS 47 -12.970 1.304 7.458 365 HZ1 LYS 47 1HZ LYS 47 -12.576 3.316 5.720 366 HZ2 LYS 47 2HZ LYS 47 -11.109 2.484 5.597 367 HZ3 LYS 47 3HZ LYS 47 -11.639 3.047 7.102 368 H VAL 48 H VAL 48 -6.966 -0.985 3.602 369 HA VAL 48 HA VAL 48 -6.827 -3.931 3.589 370 HB VAL 48 HB VAL 48 -5.034 -3.733 1.905 371 HG11 VAL 48 1HG1 VAL 48 -6.809 -2.429 0.228 372 HG12 VAL 48 2HG1 VAL 48 -6.780 -4.157 0.586 373 HG13 VAL 48 3HG1 VAL 48 -7.831 -3.081 1.508 374 HG21 VAL 48 1HG2 VAL 48 -5.736 -0.947 1.248 375 HG22 VAL 48 2HG2 VAL 48 -4.768 -1.173 2.705 376 HG23 VAL 48 3HG2 VAL 48 -4.184 -1.780 1.156 377 H ASP 49 H ASP 49 -4.403 -4.637 3.715 378 HA ASP 49 HA ASP 49 -3.090 -3.072 5.838 379 HB2 ASP 49 1HB ASP 49 -3.574 -6.033 5.646 380 HB3 ASP 49 2HB ASP 49 -2.238 -5.398 6.603 381 H ILE 50 H ILE 50 -1.498 -2.109 4.682 382 HA ILE 50 HA ILE 50 0.025 -3.577 2.712 383 HB ILE 50 HB ILE 50 0.415 -0.780 3.783 384 HG12 ILE 50 1HG1 ILE 50 -0.734 -1.644 1.126 385 HG13 ILE 50 2HG1 ILE 50 -1.728 -1.263 2.528 386 HG21 ILE 50 1HG2 ILE 50 2.260 -0.587 2.547 387 HG22 ILE 50 2HG2 ILE 50 2.238 -2.345 2.425 388 HG23 ILE 50 3HG2 ILE 50 1.503 -1.364 1.157 389 HD11 ILE 50 1HD1 ILE 50 -1.634 0.892 2.054 390 HD12 ILE 50 2HD1 ILE 50 0.130 0.860 2.054 391 HD13 ILE 50 3HD1 ILE 50 -0.760 0.491 0.577 392 H ARG 51 H ARG 51 1.976 -4.492 2.973 393 HA ARG 51 HA ARG 51 3.369 -4.062 5.533 394 HB2 ARG 51 1HB ARG 51 2.174 -6.303 5.275 395 HB3 ARG 51 2HB ARG 51 3.363 -6.676 4.034 396 HG2 ARG 51 1HG ARG 51 4.198 -7.664 5.974 397 HG3 ARG 51 2HG ARG 51 5.124 -6.171 5.806 398 HD2 ARG 51 1HD ARG 51 3.911 -5.103 7.514 399 HD3 ARG 51 2HD ARG 51 2.635 -6.319 7.479 400 HE ARG 51 HE ARG 51 5.064 -7.549 8.172 401 HH11 ARG 51 1HH1 ARG 51 2.709 -5.334 9.464 402 HH12 ARG 51 2HH1 ARG 51 3.022 -5.759 11.114 403 HH21 ARG 51 1HH2 ARG 51 5.485 -8.118 10.341 404 HH22 ARG 51 2HH2 ARG 51 4.602 -7.342 11.612 405 H PHE 52 H PHE 52 5.338 -3.257 5.287 406 HA PHE 52 HA PHE 52 6.607 -3.348 2.664 407 HB2 PHE 52 1HB PHE 52 7.150 -1.765 5.171 408 HB3 PHE 52 2HB PHE 52 8.262 -1.767 3.806 409 HD1 PHE 52 2HD PHE 52 4.978 -0.706 5.013 410 HD2 PHE 52 1HD PHE 52 7.697 -0.665 1.738 411 HE1 PHE 52 2HE PHE 52 3.657 1.072 3.942 412 HE2 PHE 52 1HE PHE 52 6.380 1.114 0.663 413 HZ PHE 52 HZ PHE 52 4.357 1.984 1.764 414 HA PRO 53 HA PRO 53 9.571 -6.428 3.661 415 HB2 PRO 53 1HB PRO 53 11.706 -5.578 2.215 416 HB3 PRO 53 2HB PRO 53 10.267 -6.290 1.475 417 HG2 PRO 53 1HG PRO 53 11.021 -3.407 1.761 418 HG3 PRO 53 2HG PRO 53 10.327 -4.249 0.363 419 HD2 PRO 53 1HD PRO 53 8.835 -2.736 2.041 420 HD3 PRO 53 2HD PRO 53 8.189 -4.171 1.219 421 H GLN 54 H GLN 54 10.393 -6.529 5.661 422 HA GLN 54 HA GLN 54 11.658 -4.347 6.967 423 HB2 GLN 54 1HB GLN 54 11.664 -7.283 7.692 424 HB3 GLN 54 2HB GLN 54 12.138 -5.964 8.754 425 HG2 GLN 54 1HG GLN 54 9.399 -6.135 7.545 426 HG3 GLN 54 2HG GLN 54 9.815 -6.930 9.062 427 HE21 GLN 54 1HE2 GLN 54 10.448 -5.629 10.844 428 HE22 GLN 54 2HE2 GLN 54 9.945 -3.980 10.954 429 H SER 55 H SER 55 13.865 -5.049 8.181 430 HA SER 55 HA SER 55 15.888 -4.764 6.285 431 HB2 SER 55 1HB SER 55 15.868 -5.531 9.188 432 HB3 SER 55 2HB SER 55 17.376 -5.581 8.274 433 HG SER 55 HG SER 55 17.040 -3.553 9.291 434 H GLY 56 H GLY 56 14.632 -7.656 7.877 435 HA2 GLY 56 1HA GLY 56 16.523 -9.321 6.375 436 HA3 GLY 56 2HA GLY 56 15.508 -9.857 7.706 437 H ALA 57 H ALA 57 14.697 -8.127 4.708 438 HA ALA 57 HA ALA 57 12.720 -10.230 4.146 439 HB1 ALA 57 1HB ALA 57 12.047 -7.768 4.436 440 HB2 ALA 57 2HB ALA 57 12.748 -7.535 2.835 441 HB3 ALA 57 3HB ALA 57 11.401 -8.651 3.053 442 HA PRO 58 HA PRO 58 14.993 -11.571 0.625 443 HB2 PRO 58 1HB PRO 58 12.963 -12.615 -0.846 444 HB3 PRO 58 2HB PRO 58 13.600 -13.399 0.605 445 HG2 PRO 58 1HG PRO 58 11.157 -11.697 0.289 446 HG3 PRO 58 2HG PRO 58 11.360 -13.206 1.199 447 HD2 PRO 58 1HD PRO 58 11.380 -10.773 2.388 448 HD3 PRO 58 2HD PRO 58 12.339 -12.139 2.992 449 H ASP 59 H ASP 59 12.085 -9.625 0.107 450 HA ASP 59 HA ASP 59 13.378 -8.463 -2.272 451 HB2 ASP 59 1HB ASP 59 10.878 -7.981 -2.925 452 HB3 ASP 59 2HB ASP 59 11.595 -9.555 -3.258 453 HA PRO 60 HA PRO 60 12.885 -5.029 0.697 454 HB2 PRO 60 1HB PRO 60 14.997 -3.623 -0.269 455 HB3 PRO 60 2HB PRO 60 15.171 -4.935 0.903 456 HG2 PRO 60 1HG PRO 60 15.572 -4.979 -2.064 457 HG3 PRO 60 2HG PRO 60 16.561 -5.716 -0.790 458 HD2 PRO 60 1HD PRO 60 14.786 -7.136 -2.261 459 HD3 PRO 60 2HD PRO 60 15.151 -7.526 -0.568 460 H ASN 61 H ASN 61 12.402 -5.417 -2.577 461 HA ASN 61 HA ASN 61 11.538 -2.616 -2.886 462 HB2 ASN 61 1HB ASN 61 11.723 -3.305 -5.432 463 HB3 ASN 61 2HB ASN 61 13.140 -2.765 -4.535 464 HD21 ASN 61 1HD2 ASN 61 14.814 -3.894 -5.201 465 HD22 ASN 61 2HD2 ASN 61 14.861 -5.607 -5.422 466 H CYS 62 H CYS 62 10.250 -5.314 -2.013 467 HA CYS 62 HA CYS 62 7.856 -5.001 -3.699 468 HB2 CYS 62 1HB CYS 62 9.093 -7.124 -4.177 469 HB3 CYS 62 2HB CYS 62 8.826 -7.605 -2.506 470 HG CYS 62 HG CYS 62 6.863 -9.035 -3.471 471 H VAL 63 H VAL 63 5.865 -5.152 -2.672 472 HA VAL 63 HA VAL 63 5.944 -5.258 0.272 473 HB VAL 63 HB VAL 63 4.156 -3.570 0.338 474 HG11 VAL 63 1HG1 VAL 63 6.004 -2.361 0.728 475 HG12 VAL 63 2HG1 VAL 63 6.873 -3.067 -0.636 476 HG13 VAL 63 3HG1 VAL 63 5.744 -1.737 -0.901 477 HG21 VAL 63 1HG2 VAL 63 4.553 -2.579 -2.368 478 HG22 VAL 63 2HG2 VAL 63 3.813 -4.180 -2.328 479 HG23 VAL 63 3HG2 VAL 63 3.060 -2.838 -1.466 480 H THR 64 H THR 64 4.153 -6.157 1.313 481 HA THR 64 HA THR 64 2.441 -7.795 -0.434 482 HB THR 64 HB THR 64 3.190 -8.232 2.464 483 HG1 THR 64 1HG THR 64 4.654 -8.702 0.464 484 HG21 THR 64 1HG2 THR 64 1.832 -10.096 2.517 485 HG22 THR 64 2HG2 THR 64 1.819 -10.268 0.761 486 HG23 THR 64 3HG2 THR 64 0.863 -9.002 1.531 487 H VAL 65 H VAL 65 0.468 -6.992 -0.693 488 HA VAL 65 HA VAL 65 -0.757 -5.480 1.512 489 HB VAL 65 HB VAL 65 -1.564 -5.527 -1.399 490 HG11 VAL 65 1HG1 VAL 65 -3.284 -5.002 0.448 491 HG12 VAL 65 2HG1 VAL 65 -2.392 -3.491 0.639 492 HG13 VAL 65 3HG1 VAL 65 -3.140 -3.886 -0.910 493 HG21 VAL 65 1HG2 VAL 65 0.696 -4.490 -0.801 494 HG22 VAL 65 2HG2 VAL 65 -0.443 -3.491 -1.703 495 HG23 VAL 65 3HG2 VAL 65 -0.236 -3.244 0.031 496 H THR 66 H THR 66 -2.444 -6.296 2.570 497 HA THR 66 HA THR 66 -3.696 -8.737 1.509 498 HB THR 66 HB THR 66 -3.955 -7.800 4.355 499 HG1 THR 66 1HG THR 66 -1.810 -8.021 4.328 500 HG21 THR 66 1HG2 THR 66 -5.440 -9.591 3.611 501 HG22 THR 66 2HG2 THR 66 -4.263 -10.200 4.775 502 HG23 THR 66 3HG2 THR 66 -4.051 -10.525 3.055 503 H GLY 67 H GLY 67 -5.987 -9.022 1.757 504 HA2 GLY 67 1HA GLY 67 -8.067 -7.846 2.591 505 HA3 GLY 67 2HA GLY 67 -7.433 -6.447 1.737 506 H LEU 68 H LEU 68 -9.955 -7.424 1.196 507 HA LEU 68 HA LEU 68 -10.380 -9.301 -0.710 508 HB2 LEU 68 1HB LEU 68 -11.548 -6.547 -0.447 509 HB3 LEU 68 2HB LEU 68 -12.113 -7.690 -1.664 510 HG LEU 68 HG LEU 68 -13.632 -7.795 0.153 511 HD11 LEU 68 1HD1 LEU 68 -11.930 -10.160 0.772 512 HD12 LEU 68 2HD1 LEU 68 -12.575 -9.967 -0.858 513 HD13 LEU 68 3HD1 LEU 68 -13.673 -10.057 0.520 514 HD21 LEU 68 1HD2 LEU 68 -13.076 -7.944 2.414 515 HD22 LEU 68 2HD2 LEU 68 -11.916 -6.782 1.769 516 HD23 LEU 68 3HD2 LEU 68 -11.421 -8.448 2.071 517 HA PRO 69 HA PRO 69 -8.134 -8.272 -4.342 518 HB2 PRO 69 1HB PRO 69 -9.756 -9.335 -6.242 519 HB3 PRO 69 2HB PRO 69 -8.770 -10.323 -5.158 520 HG2 PRO 69 1HG PRO 69 -11.678 -9.640 -4.976 521 HG3 PRO 69 2HG PRO 69 -10.875 -11.196 -4.698 522 HD2 PRO 69 1HD PRO 69 -11.644 -9.571 -2.674 523 HD3 PRO 69 2HD PRO 69 -10.213 -10.617 -2.568 524 H GLU 70 H GLU 70 -11.253 -7.023 -3.728 525 HA GLU 70 HA GLU 70 -11.302 -5.365 -6.121 526 HB2 GLU 70 1HB GLU 70 -13.482 -4.626 -5.351 527 HB3 GLU 70 2HB GLU 70 -13.394 -6.381 -5.300 528 HG2 GLU 70 1HG GLU 70 -12.936 -6.252 -2.878 529 HG3 GLU 70 2HG GLU 70 -13.144 -4.503 -2.962 530 H ASN 71 H ASN 71 -10.576 -5.142 -2.722 531 HA ASN 71 HA ASN 71 -10.469 -2.243 -2.759 532 HB2 ASN 71 1HB ASN 71 -10.066 -4.348 -0.657 533 HB3 ASN 71 2HB ASN 71 -9.509 -2.701 -0.375 534 HD21 ASN 71 1HD2 ASN 71 -11.800 -4.557 0.580 535 HD22 ASN 71 2HD2 ASN 71 -13.170 -3.505 0.571 536 H VAL 72 H VAL 72 -8.239 -4.978 -2.628 537 HA VAL 72 HA VAL 72 -5.862 -3.559 -2.219 538 HB VAL 72 HB VAL 72 -6.325 -6.152 -3.695 539 HG11 VAL 72 1HG1 VAL 72 -3.704 -5.118 -2.634 540 HG12 VAL 72 2HG1 VAL 72 -3.985 -6.565 -3.605 541 HG13 VAL 72 3HG1 VAL 72 -4.199 -4.966 -4.319 542 HG21 VAL 72 1HG2 VAL 72 -6.885 -5.901 -1.200 543 HG22 VAL 72 2HG2 VAL 72 -5.860 -7.251 -1.688 544 HG23 VAL 72 3HG2 VAL 72 -5.140 -5.815 -0.960 545 H GLU 73 H GLU 73 -7.258 -4.731 -5.287 546 HA GLU 73 HA GLU 73 -5.449 -3.795 -7.085 547 HB2 GLU 73 1HB GLU 73 -7.207 -3.703 -8.718 548 HB3 GLU 73 2HB GLU 73 -7.540 -5.042 -7.628 549 HG2 GLU 73 1HG GLU 73 -9.139 -3.617 -6.411 550 HG3 GLU 73 2HG GLU 73 -8.845 -2.331 -7.581 551 H GLU 74 H GLU 74 -8.085 -1.908 -5.631 552 HA GLU 74 HA GLU 74 -7.502 0.500 -6.989 553 HB2 GLU 74 1HB GLU 74 -9.052 -0.172 -4.507 554 HB3 GLU 74 2HB GLU 74 -8.785 1.504 -4.966 555 HG2 GLU 74 1HG GLU 74 -9.970 -0.484 -6.869 556 HG3 GLU 74 2HG GLU 74 -10.956 0.401 -5.706 557 H ALA 75 H ALA 75 -6.464 -0.808 -3.878 558 HA ALA 75 HA ALA 75 -5.150 1.465 -2.901 559 HB1 ALA 75 1HB ALA 75 -3.715 -0.416 -1.725 560 HB2 ALA 75 2HB ALA 75 -5.391 -0.110 -1.267 561 HB3 ALA 75 3HB ALA 75 -5.002 -1.450 -2.345 562 H ILE 76 H ILE 76 -3.945 -1.232 -4.869 563 HA ILE 76 HA ILE 76 -1.259 -0.580 -4.959 564 HB ILE 76 HB ILE 76 -2.952 -1.755 -7.166 565 HG12 ILE 76 1HG1 ILE 76 -1.175 -3.104 -5.123 566 HG13 ILE 76 2HG1 ILE 76 -2.929 -3.011 -5.016 567 HG21 ILE 76 1HG2 ILE 76 -0.523 -2.754 -7.639 568 HG22 ILE 76 2HG2 ILE 76 -1.100 -1.259 -8.373 569 HG23 ILE 76 3HG2 ILE 76 -0.055 -1.198 -6.954 570 HD11 ILE 76 1HD1 ILE 76 -2.120 -4.075 -7.561 571 HD12 ILE 76 2HD1 ILE 76 -1.414 -4.997 -6.233 572 HD13 ILE 76 3HD1 ILE 76 -3.161 -4.778 -6.324 573 H ASP 77 H ASP 77 -3.717 0.336 -7.380 574 HA ASP 77 HA ASP 77 -2.241 1.931 -9.018 575 HB2 ASP 77 1HB ASP 77 -4.713 1.376 -9.196 576 HB3 ASP 77 2HB ASP 77 -5.004 2.717 -8.091 577 H HIS 78 H HIS 78 -3.570 2.795 -5.866 578 HA HIS 78 HA HIS 78 -2.841 5.539 -5.982 579 HB2 HIS 78 1HB HIS 78 -4.570 4.809 -4.452 580 HB3 HIS 78 2HB HIS 78 -3.442 3.737 -3.628 581 HD1 HIS 78 1HD HIS 78 -4.995 6.871 -3.181 582 HD2 HIS 78 2HD HIS 78 -1.143 5.448 -2.549 583 HE1 HIS 78 1HE HIS 78 -3.944 8.475 -1.553 584 H ILE 79 H ILE 79 -1.285 2.652 -4.659 585 HA ILE 79 HA ILE 79 0.869 3.920 -3.389 586 HB ILE 79 HB ILE 79 0.753 1.174 -4.641 587 HG12 ILE 79 1HG1 ILE 79 0.512 1.926 -1.728 588 HG13 ILE 79 2HG1 ILE 79 -0.886 1.759 -2.783 589 HG21 ILE 79 1HG2 ILE 79 2.586 0.925 -2.708 590 HG22 ILE 79 2HG2 ILE 79 2.995 1.332 -4.374 591 HG23 ILE 79 3HG2 ILE 79 2.872 2.605 -3.160 592 HD11 ILE 79 1HD1 ILE 79 -0.721 -0.287 -1.685 593 HD12 ILE 79 2HD1 ILE 79 -0.009 -0.586 -3.270 594 HD13 ILE 79 3HD1 ILE 79 1.032 -0.348 -1.867 595 H LEU 80 H LEU 80 0.766 2.367 -6.601 596 HA LEU 80 HA LEU 80 3.342 3.143 -7.393 597 HB2 LEU 80 1HB LEU 80 0.881 2.259 -8.824 598 HB3 LEU 80 2HB LEU 80 2.232 2.899 -9.757 599 HG LEU 80 HG LEU 80 2.497 0.582 -7.852 600 HD11 LEU 80 1HD1 LEU 80 0.945 -0.159 -9.479 601 HD12 LEU 80 2HD1 LEU 80 2.517 -0.795 -9.960 602 HD13 LEU 80 3HD1 LEU 80 1.843 0.609 -10.788 603 HD21 LEU 80 1HD2 LEU 80 4.362 0.428 -9.904 604 HD22 LEU 80 2HD2 LEU 80 4.660 0.926 -8.239 605 HD23 LEU 80 3HD2 LEU 80 4.316 2.138 -9.474 606 H ASN 81 H ASN 81 0.237 4.771 -7.620 607 HA ASN 81 HA ASN 81 0.829 6.790 -9.416 608 HB2 ASN 81 1HB ASN 81 -1.397 6.759 -8.777 609 HB3 ASN 81 2HB ASN 81 -1.013 6.590 -7.067 610 HD21 ASN 81 1HD2 ASN 81 -2.512 8.276 -6.662 611 HD22 ASN 81 2HD2 ASN 81 -2.070 9.927 -6.913 612 H LEU 82 H LEU 82 1.394 6.718 -5.911 613 HA LEU 82 HA LEU 82 2.600 9.310 -5.852 614 HB2 LEU 82 1HB LEU 82 2.809 7.104 -3.811 615 HB3 LEU 82 2HB LEU 82 3.128 8.817 -3.553 616 HG LEU 82 HG LEU 82 0.417 7.694 -4.246 617 HD11 LEU 82 1HD1 LEU 82 1.831 7.492 -1.810 618 HD12 LEU 82 2HD1 LEU 82 0.144 7.092 -2.133 619 HD13 LEU 82 3HD1 LEU 82 0.577 8.714 -1.592 620 HD21 LEU 82 1HD2 LEU 82 -0.005 10.044 -2.999 621 HD22 LEU 82 2HD2 LEU 82 0.129 9.873 -4.749 622 HD23 LEU 82 3HD2 LEU 82 1.527 10.387 -3.803 623 H GLU 83 H GLU 83 3.758 6.015 -6.157 624 HA GLU 83 HA GLU 83 6.433 6.278 -5.583 625 HB2 GLU 83 1HB GLU 83 5.330 4.153 -6.193 626 HB3 GLU 83 2HB GLU 83 5.244 4.690 -7.864 627 HG2 GLU 83 1HG GLU 83 7.853 4.966 -7.524 628 HG3 GLU 83 2HG GLU 83 7.568 3.740 -6.291 629 H GLU 84 H GLU 84 4.797 7.019 -8.644 630 HA GLU 84 HA GLU 84 7.171 7.836 -9.988 631 HB2 GLU 84 1HB GLU 84 5.194 7.068 -11.213 632 HB3 GLU 84 2HB GLU 84 4.274 8.437 -10.607 633 HG2 GLU 84 1HG GLU 84 5.482 9.968 -11.901 634 HG3 GLU 84 2HG GLU 84 6.767 8.807 -12.228 635 H GLU 85 H GLU 85 4.605 9.543 -8.258 636 HA GLU 85 HA GLU 85 5.325 12.161 -8.880 637 HB2 GLU 85 1HB GLU 85 3.235 11.594 -7.744 638 HB3 GLU 85 2HB GLU 85 4.131 11.090 -6.318 639 HG2 GLU 85 1HG GLU 85 5.023 13.460 -6.219 640 HG3 GLU 85 2HG GLU 85 3.793 13.861 -7.416 641 H TYR 86 H TYR 86 6.499 10.023 -6.319 642 HA TYR 86 HA TYR 86 8.231 12.019 -5.193 643 HB2 TYR 86 1HB TYR 86 7.942 9.049 -4.738 644 HB3 TYR 86 2HB TYR 86 9.140 10.028 -3.899 645 HD1 TYR 86 2HD TYR 86 7.756 12.447 -3.195 646 HD2 TYR 86 1HD TYR 86 6.287 8.454 -3.240 647 HE1 TYR 86 2HE TYR 86 6.080 13.050 -1.498 648 HE2 TYR 86 1HE TYR 86 4.607 9.046 -1.545 649 HH TYR 86 HH TYR 86 3.503 10.910 -0.620 650 H LEU 87 H LEU 87 8.682 9.104 -7.171 651 HA LEU 87 HA LEU 87 11.463 9.169 -7.349 652 HB2 LEU 87 1HB LEU 87 9.336 8.136 -9.196 653 HB3 LEU 87 2HB LEU 87 11.048 7.994 -9.588 654 HG LEU 87 HG LEU 87 9.790 6.842 -7.102 655 HD11 LEU 87 1HD1 LEU 87 9.847 4.697 -8.211 656 HD12 LEU 87 2HD1 LEU 87 10.496 5.437 -9.674 657 HD13 LEU 87 3HD1 LEU 87 8.859 5.822 -9.143 658 HD21 LEU 87 1HD2 LEU 87 12.303 5.806 -8.256 659 HD22 LEU 87 2HD2 LEU 87 11.825 6.013 -6.571 660 HD23 LEU 87 3HD2 LEU 87 12.382 7.401 -7.507 661 H ALA 88 H ALA 88 9.011 10.901 -9.176 662 HA ALA 88 HA ALA 88 10.378 11.854 -11.334 663 HB1 ALA 88 1HB ALA 88 8.542 13.509 -9.608 664 HB2 ALA 88 2HB ALA 88 8.922 13.780 -11.309 665 HB3 ALA 88 3HB ALA 88 8.014 12.347 -10.825 666 H ASP 89 H ASP 89 10.671 12.915 -7.992 667 HA ASP 89 HA ASP 89 12.669 14.911 -8.772 668 HB2 ASP 89 1HB ASP 89 12.501 15.311 -6.151 669 HB3 ASP 89 2HB ASP 89 11.314 15.986 -7.264 670 H SER 90 H SER 90 13.779 12.634 -9.301 671 HA SER 90 HA SER 90 15.122 11.514 -6.984 672 HB2 SER 90 1HB SER 90 14.451 9.929 -8.658 673 HB3 SER 90 2HB SER 90 15.240 10.856 -9.933 674 HG SER 90 HG SER 90 16.564 9.606 -7.754 675 H GLY 91 H GLY 91 16.197 13.543 -6.421 676 HA2 GLY 91 1HA GLY 91 18.248 14.531 -8.209 677 HA3 GLY 91 2HA GLY 91 17.893 15.126 -6.594 678 HA PRO 92 HA PRO 92 21.923 12.920 -6.326 679 HB2 PRO 92 1HB PRO 92 23.033 14.709 -4.613 680 HB3 PRO 92 2HB PRO 92 23.046 14.924 -6.367 681 HG2 PRO 92 1HG PRO 92 21.224 16.135 -4.323 682 HG3 PRO 92 2HG PRO 92 21.999 16.898 -5.724 683 HD2 PRO 92 1HD PRO 92 19.410 16.104 -5.744 684 HD3 PRO 92 2HD PRO 92 20.428 16.078 -7.198 685 H SER 93 H SER 93 19.294 13.381 -4.399 686 HA SER 93 HA SER 93 20.010 13.004 -1.789 687 HB2 SER 93 1HB SER 93 17.693 13.244 -2.354 688 HB3 SER 93 2HB SER 93 17.716 11.773 -3.326 689 HG SER 93 HG SER 93 18.410 11.619 -0.616 690 H SER 94 H SER 94 21.533 11.681 -1.043 691 HA SER 94 HA SER 94 21.229 8.827 -1.401 692 HB2 SER 94 1HB SER 94 23.572 8.496 -2.153 693 HB3 SER 94 2HB SER 94 22.603 9.370 -3.340 694 HG SER 94 HG SER 94 24.588 10.365 -1.598 695 H GLY 95 H GLY 95 22.871 7.615 -0.066 696 HA2 GLY 95 1HA GLY 95 23.413 9.162 2.389 697 HA3 GLY 95 2HA GLY 95 23.054 7.442 2.352 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -34.209 7.964 -1.816 2 HA2 GLY 1 1HA GLY 1 -34.567 6.415 0.492 3 HA3 GLY 1 2HA GLY 1 -35.604 6.375 -0.926 4 H SER 2 H SER 2 -35.942 4.205 -1.058 5 HA SER 2 HA SER 2 -34.353 2.095 -0.534 6 HB2 SER 2 1HB SER 2 -36.135 2.385 -2.965 7 HB3 SER 2 2HB SER 2 -35.521 0.855 -2.340 8 HG SER 2 HG SER 2 -37.516 1.107 -1.456 9 H SER 3 H SER 3 -32.454 1.324 -1.178 10 HA SER 3 HA SER 3 -31.462 1.989 -3.855 11 HB2 SER 3 1HB SER 3 -30.562 3.533 -1.952 12 HB3 SER 3 2HB SER 3 -29.585 2.132 -1.514 13 HG SER 3 HG SER 3 -28.450 3.439 -2.960 14 H GLY 4 H GLY 4 -29.787 0.571 -4.624 15 HA2 GLY 4 1HA GLY 4 -30.234 -2.103 -4.335 16 HA3 GLY 4 2HA GLY 4 -28.680 -1.443 -4.822 17 H SER 5 H SER 5 -27.005 -1.330 -3.350 18 HA SER 5 HA SER 5 -27.423 -2.911 -0.913 19 HB2 SER 5 1HB SER 5 -25.082 -3.412 -0.963 20 HB3 SER 5 2HB SER 5 -25.683 -3.617 -2.609 21 HG SER 5 HG SER 5 -23.937 -2.394 -2.911 22 H SER 6 H SER 6 -25.963 -2.280 0.957 23 HA SER 6 HA SER 6 -26.639 0.301 1.829 24 HB2 SER 6 1HB SER 6 -25.173 -0.169 3.753 25 HB3 SER 6 2HB SER 6 -26.209 -1.548 3.384 26 HG SER 6 HG SER 6 -24.286 -2.487 3.541 27 H GLY 7 H GLY 7 -23.553 -1.026 0.669 28 HA2 GLY 7 1HA GLY 7 -22.593 0.968 -0.820 29 HA3 GLY 7 2HA GLY 7 -22.313 1.605 0.794 30 H ARG 8 H ARG 8 -20.214 1.438 1.218 31 HA ARG 8 HA ARG 8 -18.513 -0.507 0.054 32 HB2 ARG 8 1HB ARG 8 -18.223 1.595 2.152 33 HB3 ARG 8 2HB ARG 8 -16.984 0.352 2.041 34 HG2 ARG 8 1HG ARG 8 -17.788 1.743 -0.455 35 HG3 ARG 8 2HG ARG 8 -16.804 2.624 0.716 36 HD2 ARG 8 1HD ARG 8 -15.154 1.657 -0.534 37 HD3 ARG 8 2HD ARG 8 -15.387 0.403 0.683 38 HE ARG 8 HE ARG 8 -16.004 -0.985 -1.006 39 HH11 ARG 8 1HH1 ARG 8 -16.668 2.287 -1.991 40 HH12 ARG 8 2HH1 ARG 8 -17.229 1.836 -3.567 41 HH21 ARG 8 1HH2 ARG 8 -16.739 -1.591 -3.078 42 HH22 ARG 8 2HH2 ARG 8 -17.269 -0.369 -4.185 43 H ILE 9 H ILE 9 -16.926 -1.639 1.802 44 HA ILE 9 HA ILE 9 -18.264 -2.806 4.047 45 HB ILE 9 HB ILE 9 -17.798 -5.188 2.957 46 HG12 ILE 9 1HG1 ILE 9 -18.714 -3.537 0.595 47 HG13 ILE 9 2HG1 ILE 9 -17.068 -4.124 0.804 48 HG21 ILE 9 1HG2 ILE 9 -19.976 -3.869 3.792 49 HG22 ILE 9 2HG2 ILE 9 -20.369 -4.031 2.082 50 HG23 ILE 9 3HG2 ILE 9 -20.040 -5.468 3.050 51 HD11 ILE 9 1HD1 ILE 9 -17.599 -6.114 -0.007 52 HD12 ILE 9 2HD1 ILE 9 -18.988 -6.260 1.071 53 HD13 ILE 9 3HD1 ILE 9 -19.153 -5.421 -0.471 54 H VAL 10 H VAL 10 -16.858 -4.949 4.639 55 HA VAL 10 HA VAL 10 -14.042 -4.089 4.471 56 HB VAL 10 HB VAL 10 -15.424 -5.516 6.748 57 HG11 VAL 10 1HG1 VAL 10 -13.147 -4.951 7.859 58 HG12 VAL 10 2HG1 VAL 10 -13.274 -6.369 6.815 59 HG13 VAL 10 3HG1 VAL 10 -12.554 -4.881 6.199 60 HG21 VAL 10 1HG2 VAL 10 -15.312 -3.533 7.965 61 HG22 VAL 10 2HG2 VAL 10 -14.126 -2.816 6.874 62 HG23 VAL 10 3HG2 VAL 10 -15.802 -2.998 6.358 63 H GLY 11 H GLY 11 -16.233 -6.864 4.643 64 HA2 GLY 11 1HA GLY 11 -15.982 -8.828 3.360 65 HA3 GLY 11 2HA GLY 11 -14.290 -8.421 3.111 66 H GLU 12 H GLU 12 -14.460 -10.898 3.651 67 HA GLU 12 HA GLU 12 -14.329 -11.304 6.552 68 HB2 GLU 12 1HB GLU 12 -14.668 -13.172 4.221 69 HB3 GLU 12 2HB GLU 12 -14.192 -13.772 5.804 70 HG2 GLU 12 1HG GLU 12 -16.698 -12.212 5.216 71 HG3 GLU 12 2HG GLU 12 -16.601 -13.961 5.412 72 H LEU 13 H LEU 13 -12.532 -12.206 7.553 73 HA LEU 13 HA LEU 13 -10.027 -11.407 6.705 74 HB2 LEU 13 1HB LEU 13 -10.956 -12.392 8.986 75 HB3 LEU 13 2HB LEU 13 -10.219 -13.866 8.361 76 HG LEU 13 HG LEU 13 -8.614 -11.346 8.503 77 HD11 LEU 13 1HD1 LEU 13 -9.116 -13.237 10.797 78 HD12 LEU 13 2HD1 LEU 13 -9.608 -11.546 10.709 79 HD13 LEU 13 3HD1 LEU 13 -7.896 -11.963 10.763 80 HD21 LEU 13 1HD2 LEU 13 -7.567 -13.134 7.351 81 HD22 LEU 13 2HD2 LEU 13 -8.032 -14.298 8.591 82 HD23 LEU 13 3HD2 LEU 13 -6.824 -13.063 8.949 83 H GLU 14 H GLU 14 -11.015 -14.830 6.879 84 HA GLU 14 HA GLU 14 -8.983 -15.942 5.434 85 HB2 GLU 14 1HB GLU 14 -11.876 -16.686 5.705 86 HB3 GLU 14 2HB GLU 14 -10.820 -17.624 4.658 87 HG2 GLU 14 1HG GLU 14 -9.331 -18.044 6.565 88 HG3 GLU 14 2HG GLU 14 -10.438 -17.150 7.605 89 H GLN 15 H GLN 15 -11.890 -14.385 4.175 90 HA GLN 15 HA GLN 15 -11.581 -15.051 1.477 91 HB2 GLN 15 1HB GLN 15 -12.993 -12.892 2.968 92 HB3 GLN 15 2HB GLN 15 -12.795 -12.699 1.231 93 HG2 GLN 15 1HG GLN 15 -13.977 -15.171 2.456 94 HG3 GLN 15 2HG GLN 15 -14.945 -13.762 2.024 95 HE21 GLN 15 1HE2 GLN 15 -14.726 -13.020 -0.247 96 HE22 GLN 15 2HE2 GLN 15 -14.580 -14.225 -1.476 97 H MET 16 H MET 16 -10.345 -12.287 3.323 98 HA MET 16 HA MET 16 -9.278 -10.686 1.426 99 HB2 MET 16 1HB MET 16 -7.865 -11.554 3.955 100 HB3 MET 16 2HB MET 16 -7.486 -10.116 3.016 101 HG2 MET 16 1HG MET 16 -9.905 -9.421 3.433 102 HG3 MET 16 2HG MET 16 -9.924 -10.687 4.659 103 HE1 MET 16 1HE MET 16 -10.493 -8.744 6.630 104 HE2 MET 16 2HE MET 16 -9.665 -7.189 6.543 105 HE3 MET 16 3HE MET 16 -10.630 -7.753 5.178 106 H VAL 17 H VAL 17 -7.380 -10.553 0.216 107 HA VAL 17 HA VAL 17 -5.854 -13.062 -0.038 108 HB VAL 17 HB VAL 17 -5.621 -12.588 -2.458 109 HG11 VAL 17 1HG1 VAL 17 -7.467 -13.788 -2.945 110 HG12 VAL 17 2HG1 VAL 17 -7.639 -13.851 -1.189 111 HG13 VAL 17 3HG1 VAL 17 -8.546 -12.661 -2.124 112 HG21 VAL 17 1HG2 VAL 17 -6.168 -10.102 -2.101 113 HG22 VAL 17 2HG2 VAL 17 -6.783 -10.887 -3.555 114 HG23 VAL 17 3HG2 VAL 17 -7.856 -10.607 -2.184 115 H SER 18 H SER 18 -3.669 -12.896 -0.236 116 HA SER 18 HA SER 18 -2.532 -10.248 0.247 117 HB2 SER 18 1HB SER 18 -0.602 -11.353 1.077 118 HB3 SER 18 2HB SER 18 -1.971 -12.289 1.678 119 HG SER 18 HG SER 18 -1.527 -13.479 -0.480 120 H GLU 19 H GLU 19 -1.826 -9.112 -1.424 121 HA GLU 19 HA GLU 19 -0.762 -10.556 -3.762 122 HB2 GLU 19 1HB GLU 19 -2.464 -8.131 -3.503 123 HB3 GLU 19 2HB GLU 19 -1.283 -8.151 -4.805 124 HG2 GLU 19 1HG GLU 19 -3.601 -9.995 -4.359 125 HG3 GLU 19 2HG GLU 19 -3.261 -8.965 -5.749 126 H ASP 20 H ASP 20 0.980 -9.502 -4.934 127 HA ASP 20 HA ASP 20 2.742 -8.006 -3.113 128 HB2 ASP 20 1HB ASP 20 3.569 -9.555 -5.571 129 HB3 ASP 20 2HB ASP 20 4.613 -8.918 -4.304 130 H VAL 21 H VAL 21 3.433 -6.019 -3.637 131 HA VAL 21 HA VAL 21 2.846 -5.030 -6.352 132 HB VAL 21 HB VAL 21 2.837 -3.236 -3.943 133 HG11 VAL 21 1HG1 VAL 21 1.625 -1.743 -5.336 134 HG12 VAL 21 2HG1 VAL 21 2.980 -2.344 -6.295 135 HG13 VAL 21 3HG1 VAL 21 1.359 -2.990 -6.554 136 HG21 VAL 21 1HG2 VAL 21 0.354 -4.494 -5.081 137 HG22 VAL 21 2HG2 VAL 21 1.204 -5.167 -3.690 138 HG23 VAL 21 3HG2 VAL 21 0.523 -3.542 -3.605 139 HA PRO 22 HA PRO 22 7.230 -4.274 -6.380 140 HB2 PRO 22 1HB PRO 22 7.302 -3.083 -8.818 141 HB3 PRO 22 2HB PRO 22 7.151 -4.831 -8.607 142 HG2 PRO 22 1HG PRO 22 5.025 -2.802 -9.174 143 HG3 PRO 22 2HG PRO 22 5.252 -4.412 -9.882 144 HD2 PRO 22 1HD PRO 22 3.449 -3.924 -7.922 145 HD3 PRO 22 2HD PRO 22 4.292 -5.478 -8.078 146 H LEU 23 H LEU 23 7.584 -2.718 -4.832 147 HA LEU 23 HA LEU 23 7.155 0.074 -5.671 148 HB2 LEU 23 1HB LEU 23 5.800 -0.829 -3.693 149 HB3 LEU 23 2HB LEU 23 7.326 -0.821 -2.811 150 HG LEU 23 HG LEU 23 7.482 1.637 -3.284 151 HD11 LEU 23 1HD1 LEU 23 5.315 1.065 -4.987 152 HD12 LEU 23 2HD1 LEU 23 6.056 2.630 -4.657 153 HD13 LEU 23 3HD1 LEU 23 4.689 2.081 -3.688 154 HD21 LEU 23 1HD2 LEU 23 5.593 0.269 -1.509 155 HD22 LEU 23 2HD2 LEU 23 5.245 1.979 -1.769 156 HD23 LEU 23 3HD2 LEU 23 6.820 1.483 -1.147 157 H ASP 24 H ASP 24 8.931 1.258 -5.896 158 HA ASP 24 HA ASP 24 11.512 0.172 -5.405 159 HB2 ASP 24 1HB ASP 24 10.777 1.903 -7.187 160 HB3 ASP 24 2HB ASP 24 10.997 3.091 -5.905 161 H HIS 25 H HIS 25 12.959 0.551 -3.798 162 HA HIS 25 HA HIS 25 12.014 1.321 -1.262 163 HB2 HIS 25 1HB HIS 25 13.849 -0.190 -1.347 164 HB3 HIS 25 2HB HIS 25 14.797 0.904 -2.350 165 HD1 HIS 25 1HD HIS 25 16.765 1.219 -0.810 166 HD2 HIS 25 2HD HIS 25 13.129 2.002 1.042 167 HE1 HIS 25 1HE HIS 25 17.349 2.234 1.416 168 H ARG 26 H ARG 26 13.271 3.145 -3.888 169 HA ARG 26 HA ARG 26 14.262 5.376 -2.449 170 HB2 ARG 26 1HB ARG 26 13.360 4.962 -5.287 171 HB3 ARG 26 2HB ARG 26 13.819 6.557 -4.706 172 HG2 ARG 26 1HG ARG 26 15.685 4.279 -4.274 173 HG3 ARG 26 2HG ARG 26 15.557 4.994 -5.882 174 HD2 ARG 26 1HD ARG 26 16.356 7.050 -5.171 175 HD3 ARG 26 2HD ARG 26 15.932 6.743 -3.487 176 HE ARG 26 HE ARG 26 18.379 6.057 -4.799 177 HH11 ARG 26 1HH1 ARG 26 16.191 5.150 -2.247 178 HH12 ARG 26 2HH1 ARG 26 17.409 4.348 -1.311 179 HH21 ARG 26 1HH2 ARG 26 19.991 5.005 -3.575 180 HH22 ARG 26 2HH2 ARG 26 19.570 4.267 -2.067 181 H VAL 27 H VAL 27 11.108 4.259 -3.071 182 HA VAL 27 HA VAL 27 9.982 6.889 -2.357 183 HB VAL 27 HB VAL 27 7.904 6.217 -3.426 184 HG11 VAL 27 1HG1 VAL 27 8.681 7.042 -5.335 185 HG12 VAL 27 2HG1 VAL 27 10.320 6.778 -4.736 186 HG13 VAL 27 3HG1 VAL 27 9.519 5.534 -5.696 187 HG21 VAL 27 1HG2 VAL 27 8.617 3.676 -2.987 188 HG22 VAL 27 2HG2 VAL 27 7.425 4.140 -4.201 189 HG23 VAL 27 3HG2 VAL 27 9.091 3.815 -4.680 190 H HIS 28 H HIS 28 10.413 3.653 -1.391 191 HA HIS 28 HA HIS 28 8.263 2.908 0.065 192 HB2 HIS 28 1HB HIS 28 11.195 2.654 0.566 193 HB3 HIS 28 2HB HIS 28 10.083 2.159 1.839 194 HD2 HIS 28 2HD HIS 28 8.812 1.351 -1.693 195 HE1 HIS 28 1HE HIS 28 10.464 -2.216 -0.095 196 HE2 HIS 28 2HE HIS 28 9.179 -1.191 -2.004 197 H ALA 29 H ALA 29 10.910 4.722 1.622 198 HA ALA 29 HA ALA 29 9.519 5.412 3.924 199 HB1 ALA 29 1HB ALA 29 12.057 5.881 2.899 200 HB2 ALA 29 2HB ALA 29 11.376 7.489 3.153 201 HB3 ALA 29 3HB ALA 29 11.457 6.344 4.492 202 H ARG 30 H ARG 30 9.882 7.239 0.898 203 HA ARG 30 HA ARG 30 8.638 9.591 1.558 204 HB2 ARG 30 1HB ARG 30 8.888 8.022 -0.957 205 HB3 ARG 30 2HB ARG 30 7.722 9.339 -0.940 206 HG2 ARG 30 1HG ARG 30 9.777 10.175 -1.805 207 HG3 ARG 30 2HG ARG 30 9.548 10.857 -0.193 208 HD2 ARG 30 1HD ARG 30 10.955 8.775 0.549 209 HD3 ARG 30 2HD ARG 30 11.492 8.797 -1.130 210 HE ARG 30 HE ARG 30 11.836 11.362 -0.306 211 HH11 ARG 30 1HH1 ARG 30 12.875 8.266 0.900 212 HH12 ARG 30 2HH1 ARG 30 14.338 8.881 1.595 213 HH21 ARG 30 1HH2 ARG 30 13.759 12.184 0.605 214 HH22 ARG 30 2HH2 ARG 30 14.839 11.111 1.428 215 H ILE 31 H ILE 31 7.188 6.464 0.999 216 HA ILE 31 HA ILE 31 4.493 7.573 1.074 217 HB ILE 31 HB ILE 31 5.420 4.713 0.786 218 HG12 ILE 31 1HG1 ILE 31 4.165 6.495 -1.302 219 HG13 ILE 31 2HG1 ILE 31 5.908 6.344 -1.105 220 HG21 ILE 31 1HG2 ILE 31 3.289 4.012 0.842 221 HG22 ILE 31 2HG2 ILE 31 2.997 5.515 1.714 222 HG23 ILE 31 3HG2 ILE 31 2.694 5.430 -0.021 223 HD11 ILE 31 1HD1 ILE 31 4.400 4.831 -2.765 224 HD12 ILE 31 2HD1 ILE 31 5.966 4.349 -2.112 225 HD13 ILE 31 3HD1 ILE 31 4.480 3.798 -1.338 226 H ILE 32 H ILE 32 6.413 5.176 2.882 227 HA ILE 32 HA ILE 32 4.707 4.469 4.868 228 HB ILE 32 HB ILE 32 7.642 5.112 5.147 229 HG12 ILE 32 1HG1 ILE 32 6.445 2.367 5.102 230 HG13 ILE 32 2HG1 ILE 32 6.670 3.234 3.587 231 HG21 ILE 32 1HG2 ILE 32 6.466 5.181 7.322 232 HG22 ILE 32 2HG2 ILE 32 5.908 3.533 7.039 233 HG23 ILE 32 3HG2 ILE 32 7.632 3.863 7.209 234 HD11 ILE 32 1HD1 ILE 32 9.027 3.259 5.299 235 HD12 ILE 32 2HD1 ILE 32 8.522 1.644 4.800 236 HD13 ILE 32 3HD1 ILE 32 8.866 2.875 3.585 237 H GLY 33 H GLY 33 6.812 7.349 4.955 238 HA2 GLY 33 1HA GLY 33 6.139 9.463 5.777 239 HA3 GLY 33 2HA GLY 33 4.811 8.683 6.624 240 H ALA 34 H ALA 34 7.499 10.356 7.169 241 HA ALA 34 HA ALA 34 9.226 9.218 8.844 242 HB1 ALA 34 1HB ALA 34 7.745 11.784 9.408 243 HB2 ALA 34 2HB ALA 34 9.240 11.283 10.200 244 HB3 ALA 34 3HB ALA 34 9.225 11.602 8.465 245 H ARG 35 H ARG 35 6.034 10.340 9.984 246 HA ARG 35 HA ARG 35 6.341 8.953 12.491 247 HB2 ARG 35 1HB ARG 35 4.200 10.646 11.251 248 HB3 ARG 35 2HB ARG 35 3.838 9.679 12.675 249 HG2 ARG 35 1HG ARG 35 4.400 11.785 13.508 250 HG3 ARG 35 2HG ARG 35 5.850 10.809 13.751 251 HD2 ARG 35 1HD ARG 35 6.730 12.745 12.859 252 HD3 ARG 35 2HD ARG 35 6.538 11.741 11.422 253 HE ARG 35 HE ARG 35 4.211 13.273 11.811 254 HH11 ARG 35 1HH1 ARG 35 7.546 13.625 10.878 255 HH12 ARG 35 2HH1 ARG 35 7.258 15.017 9.889 256 HH21 ARG 35 1HH2 ARG 35 3.819 15.106 10.511 257 HH22 ARG 35 2HH2 ARG 35 5.138 15.859 9.681 258 H GLY 36 H GLY 36 4.933 8.311 9.391 259 HA2 GLY 36 1HA GLY 36 4.410 6.126 8.648 260 HA3 GLY 36 2HA GLY 36 4.198 5.634 10.322 261 H LYS 37 H LYS 37 2.731 8.579 9.277 262 HA LYS 37 HA LYS 37 0.101 7.401 9.695 263 HB2 LYS 37 1HB LYS 37 1.191 10.181 9.600 264 HB3 LYS 37 2HB LYS 37 -0.521 9.936 9.284 265 HG2 LYS 37 1HG LYS 37 -0.383 10.407 11.569 266 HG3 LYS 37 2HG LYS 37 -0.585 8.656 11.478 267 HD2 LYS 37 1HD LYS 37 1.719 8.281 11.920 268 HD3 LYS 37 2HD LYS 37 2.107 9.988 11.697 269 HE2 LYS 37 1HE LYS 37 1.281 10.584 13.750 270 HE3 LYS 37 2HE LYS 37 0.132 9.248 13.796 271 HZ1 LYS 37 1HZ LYS 37 2.539 9.365 15.089 272 HZ2 LYS 37 2HZ LYS 37 2.831 8.328 13.786 273 HZ3 LYS 37 3HZ LYS 37 1.584 7.985 14.875 274 H ALA 38 H ALA 38 2.049 8.783 7.140 275 HA ALA 38 HA ALA 38 0.102 9.248 5.207 276 HB1 ALA 38 1HB ALA 38 2.095 10.065 4.500 277 HB2 ALA 38 2HB ALA 38 3.013 8.717 5.171 278 HB3 ALA 38 3HB ALA 38 2.142 8.521 3.650 279 H ILE 39 H ILE 39 1.674 6.259 6.181 280 HA ILE 39 HA ILE 39 0.480 4.737 4.032 281 HB ILE 39 HB ILE 39 2.691 4.106 4.872 282 HG12 ILE 39 1HG1 ILE 39 2.243 1.683 5.205 283 HG13 ILE 39 2HG1 ILE 39 0.535 2.053 5.414 284 HG21 ILE 39 1HG2 ILE 39 1.240 3.517 7.447 285 HG22 ILE 39 2HG2 ILE 39 2.902 3.049 7.095 286 HG23 ILE 39 3HG2 ILE 39 2.468 4.756 7.185 287 HD11 ILE 39 1HD1 ILE 39 1.903 2.953 2.933 288 HD12 ILE 39 2HD1 ILE 39 1.469 1.252 3.111 289 HD13 ILE 39 3HD1 ILE 39 0.220 2.494 3.196 290 H ARG 40 H ARG 40 -0.288 5.608 7.281 291 HA ARG 40 HA ARG 40 -2.050 3.471 7.888 292 HB2 ARG 40 1HB ARG 40 -1.025 5.074 9.543 293 HB3 ARG 40 2HB ARG 40 -2.172 6.282 8.983 294 HG2 ARG 40 1HG ARG 40 -3.046 5.331 10.972 295 HG3 ARG 40 2HG ARG 40 -4.011 4.718 9.628 296 HD2 ARG 40 1HD ARG 40 -2.969 2.605 9.713 297 HD3 ARG 40 2HD ARG 40 -1.670 3.201 10.746 298 HE ARG 40 HE ARG 40 -4.250 3.432 11.963 299 HH11 ARG 40 1HH1 ARG 40 -1.603 1.262 11.328 300 HH12 ARG 40 2HH1 ARG 40 -1.943 0.241 12.686 301 HH21 ARG 40 1HH2 ARG 40 -4.708 2.095 13.754 302 HH22 ARG 40 2HH2 ARG 40 -3.710 0.716 14.065 303 H LYS 41 H LYS 41 -2.609 6.762 6.663 304 HA LYS 41 HA LYS 41 -5.394 6.624 6.485 305 HB2 LYS 41 1HB LYS 41 -5.253 8.518 4.999 306 HB3 LYS 41 2HB LYS 41 -4.046 8.702 6.266 307 HG2 LYS 41 1HG LYS 41 -2.318 7.899 4.723 308 HG3 LYS 41 2HG LYS 41 -3.535 7.755 3.452 309 HD2 LYS 41 1HD LYS 41 -3.994 10.189 3.704 310 HD3 LYS 41 2HD LYS 41 -2.650 10.281 4.845 311 HE2 LYS 41 1HE LYS 41 -1.066 9.919 3.211 312 HE3 LYS 41 2HE LYS 41 -2.199 9.087 2.148 313 HZ1 LYS 41 1HZ LYS 41 -3.062 11.058 1.378 314 HZ2 LYS 41 2HZ LYS 41 -1.436 11.474 1.582 315 HZ3 LYS 41 3HZ LYS 41 -2.580 11.945 2.736 316 H ILE 42 H ILE 42 -2.903 5.798 4.100 317 HA ILE 42 HA ILE 42 -4.578 5.200 1.952 318 HB ILE 42 HB ILE 42 -1.886 4.072 2.706 319 HG12 ILE 42 1HG1 ILE 42 -2.650 5.983 0.494 320 HG13 ILE 42 2HG1 ILE 42 -2.121 6.510 2.088 321 HG21 ILE 42 1HG2 ILE 42 -3.703 3.383 0.463 322 HG22 ILE 42 2HG2 ILE 42 -1.980 3.518 0.117 323 HG23 ILE 42 3HG2 ILE 42 -2.548 2.377 1.335 324 HD11 ILE 42 1HD1 ILE 42 -0.264 6.613 0.604 325 HD12 ILE 42 2HD1 ILE 42 0.000 5.267 1.713 326 HD13 ILE 42 3HD1 ILE 42 -0.535 4.957 0.062 327 H MET 43 H MET 43 -3.486 3.171 4.636 328 HA MET 43 HA MET 43 -4.598 0.753 3.691 329 HB2 MET 43 1HB MET 43 -3.639 1.748 6.342 330 HB3 MET 43 2HB MET 43 -4.557 0.249 6.279 331 HG2 MET 43 1HG MET 43 -2.912 -0.586 4.592 332 HG3 MET 43 2HG MET 43 -1.952 0.856 4.910 333 HE1 MET 43 1HE MET 43 -1.072 1.555 6.989 334 HE2 MET 43 2HE MET 43 -0.562 0.517 8.320 335 HE3 MET 43 3HE MET 43 0.238 0.398 6.753 336 H ASP 44 H ASP 44 -5.785 3.026 6.171 337 HA ASP 44 HA ASP 44 -8.245 1.764 6.610 338 HB2 ASP 44 1HB ASP 44 -7.466 4.669 6.919 339 HB3 ASP 44 2HB ASP 44 -8.970 3.978 7.521 340 H GLU 45 H GLU 45 -7.264 4.178 4.243 341 HA GLU 45 HA GLU 45 -9.676 5.049 3.272 342 HB2 GLU 45 1HB GLU 45 -7.520 5.888 2.471 343 HB3 GLU 45 2HB GLU 45 -7.212 4.357 1.664 344 HG2 GLU 45 1HG GLU 45 -7.925 5.779 -0.033 345 HG3 GLU 45 2HG GLU 45 -9.346 4.809 0.351 346 H PHE 46 H PHE 46 -7.878 2.204 2.092 347 HA PHE 46 HA PHE 46 -10.334 1.250 0.806 348 HB2 PHE 46 1HB PHE 46 -7.503 0.230 0.496 349 HB3 PHE 46 2HB PHE 46 -8.898 -0.259 -0.459 350 HD1 PHE 46 1HD PHE 46 -6.656 2.574 0.309 351 HD2 PHE 46 2HD PHE 46 -9.589 0.982 -2.333 352 HE1 PHE 46 1HE PHE 46 -6.180 4.375 -1.298 353 HE2 PHE 46 2HE PHE 46 -9.117 2.780 -3.945 354 HZ PHE 46 HZ PHE 46 -7.411 4.479 -3.429 355 H LYS 47 H LYS 47 -9.017 1.007 3.724 356 HA LYS 47 HA LYS 47 -9.158 -0.462 5.455 357 HB2 LYS 47 1HB LYS 47 -11.204 -1.744 3.636 358 HB3 LYS 47 2HB LYS 47 -10.953 -2.192 5.318 359 HG2 LYS 47 1HG LYS 47 -11.689 0.587 4.441 360 HG3 LYS 47 2HG LYS 47 -12.873 -0.644 4.889 361 HD2 LYS 47 1HD LYS 47 -11.612 -0.846 7.084 362 HD3 LYS 47 2HD LYS 47 -10.762 0.629 6.616 363 HE2 LYS 47 1HE LYS 47 -13.762 0.398 6.773 364 HE3 LYS 47 2HE LYS 47 -12.755 0.972 8.101 365 HZ1 LYS 47 1HZ LYS 47 -12.001 2.787 6.743 366 HZ2 LYS 47 2HZ LYS 47 -13.692 2.782 6.757 367 HZ3 LYS 47 3HZ LYS 47 -12.856 2.208 5.403 368 H VAL 48 H VAL 48 -7.030 -0.871 3.737 369 HA VAL 48 HA VAL 48 -6.798 -3.811 3.701 370 HB VAL 48 HB VAL 48 -5.114 -3.568 1.926 371 HG11 VAL 48 1HG1 VAL 48 -7.506 -3.934 1.392 372 HG12 VAL 48 2HG1 VAL 48 -7.698 -2.190 1.204 373 HG13 VAL 48 3HG1 VAL 48 -6.631 -3.083 0.119 374 HG21 VAL 48 1HG2 VAL 48 -5.646 -0.678 2.396 375 HG22 VAL 48 2HG2 VAL 48 -4.124 -1.507 2.071 376 HG23 VAL 48 3HG2 VAL 48 -5.263 -1.208 0.758 377 H ASP 49 H ASP 49 -4.505 -4.580 3.927 378 HA ASP 49 HA ASP 49 -3.045 -2.892 5.852 379 HB2 ASP 49 1HB ASP 49 -2.938 -5.898 5.879 380 HB3 ASP 49 2HB ASP 49 -2.518 -4.770 7.165 381 H ILE 50 H ILE 50 -1.430 -2.060 4.650 382 HA ILE 50 HA ILE 50 -0.042 -3.669 2.684 383 HB ILE 50 HB ILE 50 0.534 -0.854 3.616 384 HG12 ILE 50 1HG1 ILE 50 -0.798 -1.674 1.040 385 HG13 ILE 50 2HG1 ILE 50 -1.726 -1.348 2.500 386 HG21 ILE 50 1HG2 ILE 50 1.968 -2.667 1.903 387 HG22 ILE 50 2HG2 ILE 50 1.449 -1.240 1.006 388 HG23 ILE 50 3HG2 ILE 50 2.423 -1.058 2.465 389 HD11 ILE 50 1HD1 ILE 50 -1.035 0.914 2.535 390 HD12 ILE 50 2HD1 ILE 50 0.176 0.631 1.284 391 HD13 ILE 50 3HD1 ILE 50 -1.540 0.553 0.884 392 H ARG 51 H ARG 51 1.761 -4.791 3.018 393 HA ARG 51 HA ARG 51 3.241 -4.328 5.523 394 HB2 ARG 51 1HB ARG 51 2.142 -6.530 5.391 395 HB3 ARG 51 2HB ARG 51 3.017 -6.872 3.905 396 HG2 ARG 51 1HG ARG 51 4.068 -7.992 5.762 397 HG3 ARG 51 2HG ARG 51 5.135 -6.731 5.140 398 HD2 ARG 51 1HD ARG 51 3.281 -6.033 7.355 399 HD3 ARG 51 2HD ARG 51 4.682 -7.034 7.733 400 HE ARG 51 HE ARG 51 5.739 -4.978 6.321 401 HH11 ARG 51 1HH1 ARG 51 3.671 -5.166 9.114 402 HH12 ARG 51 2HH1 ARG 51 4.256 -3.690 9.809 403 HH21 ARG 51 1HH2 ARG 51 6.518 -3.034 7.224 404 HH22 ARG 51 2HH2 ARG 51 5.875 -2.478 8.732 405 H PHE 52 H PHE 52 5.130 -3.362 5.236 406 HA PHE 52 HA PHE 52 6.430 -3.410 2.642 407 HB2 PHE 52 1HB PHE 52 6.909 -1.889 5.195 408 HB3 PHE 52 2HB PHE 52 8.083 -1.869 3.884 409 HD1 PHE 52 2HD PHE 52 4.662 -0.938 4.864 410 HD2 PHE 52 1HD PHE 52 7.704 -0.612 1.904 411 HE1 PHE 52 2HE PHE 52 3.396 0.864 3.766 412 HE2 PHE 52 1HE PHE 52 6.443 1.191 0.802 413 HZ PHE 52 HZ PHE 52 4.285 1.930 1.732 414 HA PRO 53 HA PRO 53 9.395 -6.521 3.548 415 HB2 PRO 53 1HB PRO 53 11.487 -5.663 2.044 416 HB3 PRO 53 2HB PRO 53 10.027 -6.373 1.344 417 HG2 PRO 53 1HG PRO 53 10.787 -3.491 1.618 418 HG3 PRO 53 2HG PRO 53 10.054 -4.328 0.238 419 HD2 PRO 53 1HD PRO 53 8.609 -2.823 1.964 420 HD3 PRO 53 2HD PRO 53 7.941 -4.256 1.155 421 H GLN 54 H GLN 54 10.092 -6.479 5.625 422 HA GLN 54 HA GLN 54 11.511 -4.330 6.801 423 HB2 GLN 54 1HB GLN 54 11.261 -7.216 7.665 424 HB3 GLN 54 2HB GLN 54 11.936 -5.929 8.656 425 HG2 GLN 54 1HG GLN 54 9.812 -4.783 8.682 426 HG3 GLN 54 2HG GLN 54 9.121 -5.985 7.594 427 HE21 GLN 54 1HE2 GLN 54 8.267 -7.789 8.425 428 HE22 GLN 54 2HE2 GLN 54 8.305 -8.223 10.097 429 H SER 55 H SER 55 13.664 -5.148 8.078 430 HA SER 55 HA SER 55 15.728 -5.012 6.240 431 HB2 SER 55 1HB SER 55 16.090 -4.461 8.572 432 HB3 SER 55 2HB SER 55 15.758 -6.125 9.055 433 HG SER 55 HG SER 55 17.614 -6.666 7.660 434 H GLY 56 H GLY 56 14.580 -7.898 7.994 435 HA2 GLY 56 1HA GLY 56 16.234 -9.625 6.353 436 HA3 GLY 56 2HA GLY 56 15.172 -10.128 7.659 437 H ALA 57 H ALA 57 14.357 -8.189 4.813 438 HA ALA 57 HA ALA 57 12.275 -10.140 4.164 439 HB1 ALA 57 1HB ALA 57 12.710 -7.313 3.212 440 HB2 ALA 57 2HB ALA 57 11.385 -8.356 2.695 441 HB3 ALA 57 3HB ALA 57 11.514 -7.867 4.384 442 HA PRO 58 HA PRO 58 14.475 -11.747 0.706 443 HB2 PRO 58 1HB PRO 58 12.377 -12.656 -0.758 444 HB3 PRO 58 2HB PRO 58 12.940 -13.456 0.714 445 HG2 PRO 58 1HG PRO 58 10.644 -11.571 0.342 446 HG3 PRO 58 2HG PRO 58 10.719 -13.070 1.286 447 HD2 PRO 58 1HD PRO 58 10.928 -10.622 2.423 448 HD3 PRO 58 2HD PRO 58 11.770 -12.047 3.064 449 H ASP 59 H ASP 59 11.847 -9.465 0.224 450 HA ASP 59 HA ASP 59 13.231 -8.470 -2.171 451 HB2 ASP 59 1HB ASP 59 10.311 -9.105 -1.845 452 HB3 ASP 59 2HB ASP 59 10.842 -7.885 -2.999 453 HA PRO 60 HA PRO 60 12.816 -4.971 0.719 454 HB2 PRO 60 1HB PRO 60 14.984 -3.654 -0.246 455 HB3 PRO 60 2HB PRO 60 15.102 -4.956 0.943 456 HG2 PRO 60 1HG PRO 60 15.524 -5.052 -2.019 457 HG3 PRO 60 2HG PRO 60 16.477 -5.808 -0.728 458 HD2 PRO 60 1HD PRO 60 14.663 -7.182 -2.196 459 HD3 PRO 60 2HD PRO 60 15.002 -7.563 -0.495 460 H ASN 61 H ASN 61 12.327 -5.387 -2.545 461 HA ASN 61 HA ASN 61 11.550 -2.565 -2.890 462 HB2 ASN 61 1HB ASN 61 11.780 -3.250 -5.428 463 HB3 ASN 61 2HB ASN 61 13.193 -2.758 -4.498 464 HD21 ASN 61 1HD2 ASN 61 14.887 -4.005 -4.738 465 HD22 ASN 61 2HD2 ASN 61 14.872 -5.690 -5.121 466 H CYS 62 H CYS 62 10.215 -5.281 -2.077 467 HA CYS 62 HA CYS 62 7.836 -4.874 -3.761 468 HB2 CYS 62 1HB CYS 62 9.188 -7.018 -4.220 469 HB3 CYS 62 2HB CYS 62 8.596 -7.571 -2.659 470 HG CYS 62 HG CYS 62 6.700 -6.821 -5.405 471 H VAL 63 H VAL 63 5.866 -4.936 -2.738 472 HA VAL 63 HA VAL 63 5.942 -5.197 0.199 473 HB VAL 63 HB VAL 63 4.150 -3.537 0.331 474 HG11 VAL 63 1HG1 VAL 63 5.599 -1.615 -0.844 475 HG12 VAL 63 2HG1 VAL 63 6.070 -2.383 0.674 476 HG13 VAL 63 3HG1 VAL 63 6.790 -2.915 -0.846 477 HG21 VAL 63 1HG2 VAL 63 4.547 -2.989 -2.596 478 HG22 VAL 63 2HG2 VAL 63 3.291 -4.078 -2.006 479 HG23 VAL 63 3HG2 VAL 63 3.285 -2.381 -1.525 480 H THR 64 H THR 64 4.027 -5.989 1.222 481 HA THR 64 HA THR 64 2.403 -7.692 -0.553 482 HB THR 64 HB THR 64 3.102 -8.134 2.356 483 HG1 THR 64 1HG THR 64 4.706 -8.537 0.554 484 HG21 THR 64 1HG2 THR 64 2.120 -10.493 1.475 485 HG22 THR 64 2HG2 THR 64 1.125 -9.369 0.549 486 HG23 THR 64 3HG2 THR 64 1.152 -9.279 2.310 487 H VAL 65 H VAL 65 0.569 -6.574 -0.917 488 HA VAL 65 HA VAL 65 -0.719 -5.114 1.247 489 HB VAL 65 HB VAL 65 -1.512 -5.404 -1.655 490 HG11 VAL 65 1HG1 VAL 65 -3.308 -4.900 0.148 491 HG12 VAL 65 2HG1 VAL 65 -2.556 -3.304 0.203 492 HG13 VAL 65 3HG1 VAL 65 -3.242 -3.907 -1.307 493 HG21 VAL 65 1HG2 VAL 65 0.542 -4.184 -1.478 494 HG22 VAL 65 2HG2 VAL 65 -0.755 -3.029 -1.788 495 HG23 VAL 65 3HG2 VAL 65 -0.097 -3.200 -0.161 496 H THR 66 H THR 66 -2.235 -5.976 2.490 497 HA THR 66 HA THR 66 -3.474 -8.503 1.679 498 HB THR 66 HB THR 66 -3.810 -7.239 4.385 499 HG1 THR 66 1HG THR 66 -1.760 -7.549 4.764 500 HG21 THR 66 1HG2 THR 66 -4.078 -9.532 5.113 501 HG22 THR 66 2HG2 THR 66 -3.670 -10.124 3.503 502 HG23 THR 66 3HG2 THR 66 -5.162 -9.221 3.758 503 H GLY 67 H GLY 67 -5.730 -8.836 1.799 504 HA2 GLY 67 1HA GLY 67 -7.875 -7.651 2.520 505 HA3 GLY 67 2HA GLY 67 -7.279 -6.343 1.509 506 H LEU 68 H LEU 68 -9.721 -7.285 0.944 507 HA LEU 68 HA LEU 68 -9.987 -9.466 -0.740 508 HB2 LEU 68 1HB LEU 68 -11.423 -6.824 -0.696 509 HB3 LEU 68 2HB LEU 68 -11.894 -8.148 -1.760 510 HG LEU 68 HG LEU 68 -13.292 -7.987 0.265 511 HD11 LEU 68 1HD1 LEU 68 -13.600 -10.175 0.084 512 HD12 LEU 68 2HD1 LEU 68 -12.068 -10.510 0.889 513 HD13 LEU 68 3HD1 LEU 68 -12.110 -10.260 -0.856 514 HD21 LEU 68 1HD2 LEU 68 -10.799 -8.779 1.763 515 HD22 LEU 68 2HD2 LEU 68 -12.406 -8.498 2.435 516 HD23 LEU 68 3HD2 LEU 68 -11.485 -7.154 1.758 517 HA PRO 69 HA PRO 69 -7.958 -8.491 -4.508 518 HB2 PRO 69 1HB PRO 69 -9.600 -9.669 -6.320 519 HB3 PRO 69 2HB PRO 69 -8.550 -10.588 -5.235 520 HG2 PRO 69 1HG PRO 69 -11.473 -9.992 -4.986 521 HG3 PRO 69 2HG PRO 69 -10.612 -11.511 -4.682 522 HD2 PRO 69 1HD PRO 69 -11.372 -9.844 -2.689 523 HD3 PRO 69 2HD PRO 69 -9.905 -10.839 -2.593 524 H GLU 70 H GLU 70 -11.153 -7.385 -3.897 525 HA GLU 70 HA GLU 70 -11.281 -5.774 -6.316 526 HB2 GLU 70 1HB GLU 70 -13.492 -5.129 -5.561 527 HB3 GLU 70 2HB GLU 70 -13.318 -6.875 -5.458 528 HG2 GLU 70 1HG GLU 70 -13.057 -6.788 -3.094 529 HG3 GLU 70 2HG GLU 70 -12.948 -5.029 -3.115 530 H ASN 71 H ASN 71 -10.574 -5.439 -2.919 531 HA ASN 71 HA ASN 71 -10.583 -2.538 -3.040 532 HB2 ASN 71 1HB ASN 71 -9.992 -4.513 -0.836 533 HB3 ASN 71 2HB ASN 71 -9.768 -2.778 -0.638 534 HD21 ASN 71 1HD2 ASN 71 -11.640 -4.816 0.553 535 HD22 ASN 71 2HD2 ASN 71 -13.207 -4.112 0.370 536 H VAL 72 H VAL 72 -8.227 -5.152 -2.565 537 HA VAL 72 HA VAL 72 -5.927 -3.670 -2.214 538 HB VAL 72 HB VAL 72 -6.263 -6.280 -3.694 539 HG11 VAL 72 1HG1 VAL 72 -3.670 -5.906 -2.517 540 HG12 VAL 72 2HG1 VAL 72 -4.097 -6.286 -4.187 541 HG13 VAL 72 3HG1 VAL 72 -4.016 -4.606 -3.657 542 HG21 VAL 72 1HG2 VAL 72 -6.160 -7.332 -1.704 543 HG22 VAL 72 2HG2 VAL 72 -5.004 -6.180 -1.035 544 HG23 VAL 72 3HG2 VAL 72 -6.721 -5.783 -1.075 545 H GLU 73 H GLU 73 -7.039 -5.011 -5.332 546 HA GLU 73 HA GLU 73 -5.272 -4.000 -7.076 547 HB2 GLU 73 1HB GLU 73 -7.018 -3.889 -8.752 548 HB3 GLU 73 2HB GLU 73 -7.286 -5.283 -7.714 549 HG2 GLU 73 1HG GLU 73 -8.932 -3.904 -6.433 550 HG3 GLU 73 2HG GLU 73 -8.756 -2.662 -7.671 551 H GLU 74 H GLU 74 -7.931 -2.142 -5.642 552 HA GLU 74 HA GLU 74 -7.396 0.266 -7.021 553 HB2 GLU 74 1HB GLU 74 -8.765 -0.169 -4.360 554 HB3 GLU 74 2HB GLU 74 -8.803 1.325 -5.286 555 HG2 GLU 74 1HG GLU 74 -9.823 -0.039 -7.165 556 HG3 GLU 74 2HG GLU 74 -10.040 -1.319 -5.972 557 H ALA 75 H ALA 75 -6.546 -0.797 -3.731 558 HA ALA 75 HA ALA 75 -5.197 1.422 -2.835 559 HB1 ALA 75 1HB ALA 75 -5.419 -0.188 -1.219 560 HB2 ALA 75 2HB ALA 75 -4.912 -1.493 -2.292 561 HB3 ALA 75 3HB ALA 75 -3.715 -0.379 -1.633 562 H ILE 76 H ILE 76 -3.833 -1.291 -4.693 563 HA ILE 76 HA ILE 76 -1.199 -0.490 -4.816 564 HB ILE 76 HB ILE 76 -2.781 -1.800 -7.031 565 HG12 ILE 76 1HG1 ILE 76 -1.063 -3.093 -4.908 566 HG13 ILE 76 2HG1 ILE 76 -2.812 -2.944 -4.784 567 HG21 ILE 76 1HG2 ILE 76 0.137 -1.330 -6.607 568 HG22 ILE 76 2HG2 ILE 76 -0.404 -2.768 -7.472 569 HG23 ILE 76 3HG2 ILE 76 -0.825 -1.165 -8.076 570 HD11 ILE 76 1HD1 ILE 76 -2.064 -4.112 -7.303 571 HD12 ILE 76 2HD1 ILE 76 -1.375 -5.013 -5.952 572 HD13 ILE 76 3HD1 ILE 76 -3.115 -4.741 -6.034 573 H ASP 77 H ASP 77 -3.809 0.358 -7.084 574 HA ASP 77 HA ASP 77 -2.402 1.912 -8.866 575 HB2 ASP 77 1HB ASP 77 -4.831 1.289 -9.017 576 HB3 ASP 77 2HB ASP 77 -5.174 2.565 -7.852 577 H HIS 78 H HIS 78 -3.706 2.838 -5.715 578 HA HIS 78 HA HIS 78 -2.992 5.589 -5.939 579 HB2 HIS 78 1HB HIS 78 -4.763 4.848 -4.419 580 HB3 HIS 78 2HB HIS 78 -3.592 3.921 -3.486 581 HD1 HIS 78 1HD HIS 78 -5.273 7.070 -3.480 582 HD2 HIS 78 2HD HIS 78 -1.485 5.765 -2.379 583 HE1 HIS 78 1HE HIS 78 -4.370 8.845 -1.945 584 H ILE 79 H ILE 79 -1.406 2.717 -4.697 585 HA ILE 79 HA ILE 79 0.704 4.023 -3.339 586 HB ILE 79 HB ILE 79 0.565 1.254 -4.533 587 HG12 ILE 79 1HG1 ILE 79 0.427 2.090 -1.635 588 HG13 ILE 79 2HG1 ILE 79 -1.004 1.891 -2.639 589 HG21 ILE 79 1HG2 ILE 79 2.799 1.295 -4.314 590 HG22 ILE 79 2HG2 ILE 79 2.770 2.712 -3.265 591 HG23 ILE 79 3HG2 ILE 79 2.460 1.112 -2.593 592 HD11 ILE 79 1HD1 ILE 79 -0.808 -0.382 -2.703 593 HD12 ILE 79 2HD1 ILE 79 0.940 -0.349 -2.466 594 HD13 ILE 79 3HD1 ILE 79 -0.140 -0.044 -1.106 595 H LEU 80 H LEU 80 0.693 2.376 -6.507 596 HA LEU 80 HA LEU 80 3.259 3.144 -7.286 597 HB2 LEU 80 1HB LEU 80 0.813 2.229 -8.700 598 HB3 LEU 80 2HB LEU 80 2.108 2.933 -9.665 599 HG LEU 80 HG LEU 80 2.605 0.649 -7.777 600 HD11 LEU 80 1HD1 LEU 80 2.358 -0.860 -9.687 601 HD12 LEU 80 2HD1 LEU 80 1.788 0.484 -10.675 602 HD13 LEU 80 3HD1 LEU 80 0.838 -0.058 -9.292 603 HD21 LEU 80 1HD2 LEU 80 4.653 0.514 -8.733 604 HD22 LEU 80 2HD2 LEU 80 4.362 2.228 -9.028 605 HD23 LEU 80 3HD2 LEU 80 4.077 1.051 -10.311 606 H ASN 81 H ASN 81 0.186 4.822 -7.531 607 HA ASN 81 HA ASN 81 0.825 6.821 -9.339 608 HB2 ASN 81 1HB ASN 81 -1.412 6.801 -8.714 609 HB3 ASN 81 2HB ASN 81 -1.038 6.677 -6.998 610 HD21 ASN 81 1HD2 ASN 81 -2.295 8.385 -6.378 611 HD22 ASN 81 2HD2 ASN 81 -1.928 10.025 -6.778 612 H LEU 82 H LEU 82 1.376 6.731 -5.835 613 HA LEU 82 HA LEU 82 2.616 9.314 -5.775 614 HB2 LEU 82 1HB LEU 82 2.742 7.120 -3.714 615 HB3 LEU 82 2HB LEU 82 3.102 8.827 -3.464 616 HG LEU 82 HG LEU 82 0.373 7.769 -4.189 617 HD11 LEU 82 1HD1 LEU 82 1.769 7.966 -1.606 618 HD12 LEU 82 2HD1 LEU 82 0.412 6.952 -2.094 619 HD13 LEU 82 3HD1 LEU 82 0.138 8.635 -1.646 620 HD21 LEU 82 1HD2 LEU 82 0.254 9.971 -4.759 621 HD22 LEU 82 2HD2 LEU 82 1.531 10.448 -3.639 622 HD23 LEU 82 3HD2 LEU 82 -0.092 10.110 -3.035 623 H GLU 83 H GLU 83 3.694 6.018 -6.152 624 HA GLU 83 HA GLU 83 6.366 6.193 -5.493 625 HB2 GLU 83 1HB GLU 83 5.209 4.114 -6.180 626 HB3 GLU 83 2HB GLU 83 5.197 4.689 -7.841 627 HG2 GLU 83 1HG GLU 83 7.768 4.851 -7.529 628 HG3 GLU 83 2HG GLU 83 7.491 3.748 -6.183 629 H GLU 84 H GLU 84 4.916 6.825 -8.688 630 HA GLU 84 HA GLU 84 7.326 7.709 -9.879 631 HB2 GLU 84 1HB GLU 84 5.401 6.904 -11.185 632 HB3 GLU 84 2HB GLU 84 4.470 8.305 -10.672 633 HG2 GLU 84 1HG GLU 84 7.057 8.586 -12.158 634 HG3 GLU 84 2HG GLU 84 5.520 8.360 -12.990 635 H GLU 85 H GLU 85 4.589 9.443 -8.435 636 HA GLU 85 HA GLU 85 5.303 12.044 -9.003 637 HB2 GLU 85 1HB GLU 85 3.200 11.575 -7.948 638 HB3 GLU 85 2HB GLU 85 3.997 10.898 -6.535 639 HG2 GLU 85 1HG GLU 85 4.859 13.080 -5.938 640 HG3 GLU 85 2HG GLU 85 4.145 13.780 -7.389 641 H TYR 86 H TYR 86 6.523 9.931 -6.460 642 HA TYR 86 HA TYR 86 8.126 11.978 -5.240 643 HB2 TYR 86 1HB TYR 86 7.868 9.006 -4.875 644 HB3 TYR 86 2HB TYR 86 9.168 9.898 -4.091 645 HD1 TYR 86 2HD TYR 86 8.063 12.289 -3.090 646 HD2 TYR 86 1HD TYR 86 6.188 8.482 -3.394 647 HE1 TYR 86 2HE TYR 86 6.543 12.897 -1.254 648 HE2 TYR 86 1HE TYR 86 4.662 9.080 -1.560 649 HH TYR 86 HH TYR 86 4.871 10.843 0.507 650 H LEU 87 H LEU 87 8.784 9.149 -7.289 651 HA LEU 87 HA LEU 87 11.531 9.287 -7.430 652 HB2 LEU 87 1HB LEU 87 9.408 8.357 -9.294 653 HB3 LEU 87 2HB LEU 87 11.057 8.484 -9.904 654 HG LEU 87 HG LEU 87 10.301 6.860 -7.481 655 HD11 LEU 87 1HD1 LEU 87 10.217 6.211 -10.377 656 HD12 LEU 87 2HD1 LEU 87 9.192 5.646 -9.059 657 HD13 LEU 87 3HD1 LEU 87 10.812 4.980 -9.262 658 HD21 LEU 87 1HD2 LEU 87 12.460 6.190 -7.393 659 HD22 LEU 87 2HD2 LEU 87 12.732 7.755 -8.159 660 HD23 LEU 87 3HD2 LEU 87 12.679 6.289 -9.140 661 H ALA 88 H ALA 88 9.146 11.094 -9.320 662 HA ALA 88 HA ALA 88 10.633 12.314 -11.226 663 HB1 ALA 88 1HB ALA 88 8.957 13.836 -11.422 664 HB2 ALA 88 2HB ALA 88 8.139 12.672 -10.379 665 HB3 ALA 88 3HB ALA 88 8.861 14.123 -9.684 666 H ASP 89 H ASP 89 10.614 13.091 -7.789 667 HA ASP 89 HA ASP 89 12.950 14.826 -8.247 668 HB2 ASP 89 1HB ASP 89 10.762 16.011 -7.594 669 HB3 ASP 89 2HB ASP 89 10.988 15.279 -6.007 670 H SER 90 H SER 90 13.146 12.094 -7.739 671 HA SER 90 HA SER 90 14.715 12.139 -5.319 672 HB2 SER 90 1HB SER 90 12.251 11.548 -4.716 673 HB3 SER 90 2HB SER 90 12.620 9.987 -5.451 674 HG SER 90 HG SER 90 13.037 10.458 -3.042 675 H GLY 91 H GLY 91 16.559 11.303 -6.035 676 HA2 GLY 91 1HA GLY 91 17.126 8.745 -6.627 677 HA3 GLY 91 2HA GLY 91 16.573 9.351 -8.181 678 HA PRO 92 HA PRO 92 21.154 10.349 -7.254 679 HB2 PRO 92 1HB PRO 92 22.327 8.373 -8.701 680 HB3 PRO 92 2HB PRO 92 21.937 8.205 -6.985 681 HG2 PRO 92 1HG PRO 92 20.431 7.215 -9.375 682 HG3 PRO 92 2HG PRO 92 20.772 6.386 -7.845 683 HD2 PRO 92 1HD PRO 92 18.382 7.545 -8.373 684 HD3 PRO 92 2HD PRO 92 19.063 7.463 -6.736 685 H SER 93 H SER 93 22.185 11.697 -8.625 686 HA SER 93 HA SER 93 21.946 11.397 -11.494 687 HB2 SER 93 1HB SER 93 19.912 12.733 -10.611 688 HB3 SER 93 2HB SER 93 21.070 14.033 -10.333 689 HG SER 93 HG SER 93 20.689 12.723 -12.822 690 H SER 94 H SER 94 23.287 12.982 -12.665 691 HA SER 94 HA SER 94 25.872 13.081 -11.873 692 HB2 SER 94 1HB SER 94 24.372 15.103 -13.547 693 HB3 SER 94 2HB SER 94 26.129 15.087 -13.387 694 HG SER 94 HG SER 94 25.937 12.816 -14.118 695 H GLY 95 H GLY 95 27.139 14.232 -10.525 696 HA2 GLY 95 1HA GLY 95 27.528 16.499 -9.538 697 HA3 GLY 95 2HA GLY 95 25.845 16.434 -9.037 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -30.951 -3.233 -14.141 2 HA2 GLY 1 1HA GLY 1 -33.070 -3.039 -12.313 3 HA3 GLY 1 2HA GLY 1 -33.085 -4.661 -12.991 4 H SER 2 H SER 2 -30.543 -2.410 -11.895 5 HA SER 2 HA SER 2 -28.896 -4.490 -10.897 6 HB2 SER 2 1HB SER 2 -27.455 -2.758 -10.097 7 HB3 SER 2 2HB SER 2 -28.136 -2.182 -11.618 8 HG SER 2 HG SER 2 -29.823 -1.301 -9.963 9 H SER 3 H SER 3 -29.841 -5.769 -9.383 10 HA SER 3 HA SER 3 -31.424 -4.763 -7.237 11 HB2 SER 3 1HB SER 3 -31.251 -7.095 -6.354 12 HB3 SER 3 2HB SER 3 -31.791 -7.021 -8.032 13 HG SER 3 HG SER 3 -29.432 -8.007 -6.961 14 H GLY 4 H GLY 4 -30.756 -5.645 -4.916 15 HA2 GLY 4 1HA GLY 4 -29.119 -5.772 -3.230 16 HA3 GLY 4 2HA GLY 4 -27.923 -5.190 -4.380 17 H SER 5 H SER 5 -27.400 -3.895 -2.372 18 HA SER 5 HA SER 5 -28.777 -1.316 -2.577 19 HB2 SER 5 1HB SER 5 -28.092 -2.673 0.043 20 HB3 SER 5 2HB SER 5 -28.754 -1.048 -0.130 21 HG SER 5 HG SER 5 -29.994 -3.519 -0.409 22 H SER 6 H SER 6 -27.501 0.495 -2.015 23 HA SER 6 HA SER 6 -24.738 0.199 -2.647 24 HB2 SER 6 1HB SER 6 -26.337 2.212 -3.090 25 HB3 SER 6 2HB SER 6 -25.890 2.705 -1.457 26 HG SER 6 HG SER 6 -24.134 2.253 -3.641 27 H GLY 7 H GLY 7 -22.987 1.148 -1.287 28 HA2 GLY 7 1HA GLY 7 -22.544 1.839 1.115 29 HA3 GLY 7 2HA GLY 7 -23.403 0.362 1.528 30 H ARG 8 H ARG 8 -20.511 1.449 1.769 31 HA ARG 8 HA ARG 8 -19.058 -0.683 0.408 32 HB2 ARG 8 1HB ARG 8 -18.325 1.882 1.722 33 HB3 ARG 8 2HB ARG 8 -17.123 0.598 1.733 34 HG2 ARG 8 1HG ARG 8 -18.476 1.458 -0.799 35 HG3 ARG 8 2HG ARG 8 -17.049 2.289 -0.174 36 HD2 ARG 8 1HD ARG 8 -16.084 -0.148 -0.040 37 HD3 ARG 8 2HD ARG 8 -17.324 -0.479 -1.248 38 HE ARG 8 HE ARG 8 -15.777 1.808 -1.936 39 HH11 ARG 8 1HH1 ARG 8 -15.743 -1.673 -1.909 40 HH12 ARG 8 2HH1 ARG 8 -14.627 -1.803 -3.228 41 HH21 ARG 8 1HH2 ARG 8 -14.308 1.651 -3.674 42 HH22 ARG 8 2HH2 ARG 8 -13.811 0.089 -4.231 43 H ILE 9 H ILE 9 -17.353 -1.846 1.680 44 HA ILE 9 HA ILE 9 -17.789 -2.153 4.511 45 HB ILE 9 HB ILE 9 -18.155 -4.679 4.230 46 HG12 ILE 9 1HG1 ILE 9 -19.673 -4.992 2.095 47 HG13 ILE 9 2HG1 ILE 9 -18.706 -3.660 1.471 48 HG21 ILE 9 1HG2 ILE 9 -19.810 -2.781 4.924 49 HG22 ILE 9 2HG2 ILE 9 -20.560 -3.138 3.369 50 HG23 ILE 9 3HG2 ILE 9 -20.412 -4.404 4.588 51 HD11 ILE 9 1HD1 ILE 9 -17.095 -5.752 2.680 52 HD12 ILE 9 2HD1 ILE 9 -18.074 -6.320 1.326 53 HD13 ILE 9 3HD1 ILE 9 -16.955 -4.975 1.103 54 H VAL 10 H VAL 10 -16.399 -4.050 5.347 55 HA VAL 10 HA VAL 10 -13.769 -3.752 4.146 56 HB VAL 10 HB VAL 10 -14.614 -5.128 6.700 57 HG11 VAL 10 1HG1 VAL 10 -11.806 -4.352 6.006 58 HG12 VAL 10 2HG1 VAL 10 -12.380 -5.514 7.204 59 HG13 VAL 10 3HG1 VAL 10 -12.467 -5.901 5.485 60 HG21 VAL 10 1HG2 VAL 10 -12.938 -2.825 7.037 61 HG22 VAL 10 2HG2 VAL 10 -14.359 -2.398 6.085 62 HG23 VAL 10 3HG2 VAL 10 -14.553 -3.132 7.676 63 H GLY 11 H GLY 11 -16.125 -6.295 4.822 64 HA2 GLY 11 1HA GLY 11 -16.374 -8.154 3.328 65 HA3 GLY 11 2HA GLY 11 -14.664 -8.024 2.942 66 H GLU 12 H GLU 12 -14.565 -10.320 3.351 67 HA GLU 12 HA GLU 12 -14.737 -11.057 6.188 68 HB2 GLU 12 1HB GLU 12 -14.972 -12.563 3.633 69 HB3 GLU 12 2HB GLU 12 -14.289 -13.413 5.011 70 HG2 GLU 12 1HG GLU 12 -16.354 -12.609 6.291 71 HG3 GLU 12 2HG GLU 12 -17.026 -12.240 4.703 72 H LEU 13 H LEU 13 -13.019 -12.165 7.206 73 HA LEU 13 HA LEU 13 -10.443 -11.188 6.552 74 HB2 LEU 13 1HB LEU 13 -11.405 -13.263 8.503 75 HB3 LEU 13 2HB LEU 13 -9.706 -12.822 8.347 76 HG LEU 13 HG LEU 13 -11.883 -10.863 9.059 77 HD11 LEU 13 1HD1 LEU 13 -10.485 -11.144 11.330 78 HD12 LEU 13 2HD1 LEU 13 -10.379 -12.791 10.709 79 HD13 LEU 13 3HD1 LEU 13 -11.956 -12.050 10.977 80 HD21 LEU 13 1HD2 LEU 13 -9.581 -9.875 10.049 81 HD22 LEU 13 2HD2 LEU 13 -10.212 -9.477 8.451 82 HD23 LEU 13 3HD2 LEU 13 -8.972 -10.720 8.626 83 H GLU 14 H GLU 14 -11.639 -14.551 6.661 84 HA GLU 14 HA GLU 14 -9.409 -15.706 5.432 85 HB2 GLU 14 1HB GLU 14 -12.282 -16.577 5.660 86 HB3 GLU 14 2HB GLU 14 -11.084 -17.559 4.828 87 HG2 GLU 14 1HG GLU 14 -10.496 -16.621 7.587 88 HG3 GLU 14 2HG GLU 14 -11.639 -17.943 7.359 89 H GLN 15 H GLN 15 -12.039 -13.918 4.107 90 HA GLN 15 HA GLN 15 -11.830 -14.915 1.435 91 HB2 GLN 15 1HB GLN 15 -13.202 -12.563 2.702 92 HB3 GLN 15 2HB GLN 15 -13.126 -12.720 0.952 93 HG2 GLN 15 1HG GLN 15 -14.072 -15.105 1.408 94 HG3 GLN 15 2HG GLN 15 -14.574 -14.397 2.942 95 HE21 GLN 15 1HE2 GLN 15 -15.167 -14.621 -0.416 96 HE22 GLN 15 2HE2 GLN 15 -16.554 -13.593 -0.472 97 H MET 16 H MET 16 -10.315 -12.364 3.269 98 HA MET 16 HA MET 16 -9.343 -10.713 1.284 99 HB2 MET 16 1HB MET 16 -7.851 -11.569 3.770 100 HB3 MET 16 2HB MET 16 -7.556 -10.114 2.829 101 HG2 MET 16 1HG MET 16 -9.992 -9.517 3.363 102 HG3 MET 16 2HG MET 16 -9.874 -10.764 4.603 103 HE1 MET 16 1HE MET 16 -10.008 -7.044 5.502 104 HE2 MET 16 2HE MET 16 -10.856 -8.590 5.528 105 HE3 MET 16 3HE MET 16 -9.887 -8.092 6.916 106 H VAL 17 H VAL 17 -7.261 -10.581 0.254 107 HA VAL 17 HA VAL 17 -5.867 -13.151 -0.045 108 HB VAL 17 HB VAL 17 -5.687 -12.843 -2.455 109 HG11 VAL 17 1HG1 VAL 17 -7.905 -13.694 -1.089 110 HG12 VAL 17 2HG1 VAL 17 -8.585 -12.554 -2.252 111 HG13 VAL 17 3HG1 VAL 17 -7.616 -13.917 -2.814 112 HG21 VAL 17 1HG2 VAL 17 -7.033 -10.272 -1.831 113 HG22 VAL 17 2HG2 VAL 17 -5.764 -10.630 -3.002 114 HG23 VAL 17 3HG2 VAL 17 -7.437 -11.061 -3.355 115 H SER 18 H SER 18 -3.696 -13.013 -0.097 116 HA SER 18 HA SER 18 -2.510 -10.385 0.279 117 HB2 SER 18 1HB SER 18 -0.561 -11.534 1.049 118 HB3 SER 18 2HB SER 18 -1.947 -12.387 1.729 119 HG SER 18 HG SER 18 -0.026 -13.298 0.062 120 H GLU 19 H GLU 19 -1.495 -9.284 -1.260 121 HA GLU 19 HA GLU 19 -0.547 -10.740 -3.638 122 HB2 GLU 19 1HB GLU 19 -2.264 -8.316 -3.435 123 HB3 GLU 19 2HB GLU 19 -1.084 -8.373 -4.737 124 HG2 GLU 19 1HG GLU 19 -3.024 -10.607 -4.254 125 HG3 GLU 19 2HG GLU 19 -3.432 -9.203 -5.239 126 H ASP 20 H ASP 20 1.163 -9.617 -4.840 127 HA ASP 20 HA ASP 20 2.893 -8.083 -3.016 128 HB2 ASP 20 1HB ASP 20 4.675 -8.912 -4.784 129 HB3 ASP 20 2HB ASP 20 4.152 -9.957 -3.465 130 H VAL 21 H VAL 21 3.389 -6.056 -3.535 131 HA VAL 21 HA VAL 21 2.897 -5.167 -6.303 132 HB VAL 21 HB VAL 21 2.814 -3.269 -3.988 133 HG11 VAL 21 1HG1 VAL 21 1.522 -1.922 -5.433 134 HG12 VAL 21 2HG1 VAL 21 2.836 -2.562 -6.422 135 HG13 VAL 21 3HG1 VAL 21 1.221 -3.262 -6.539 136 HG21 VAL 21 1HG2 VAL 21 0.397 -3.623 -3.792 137 HG22 VAL 21 2HG2 VAL 21 0.504 -4.969 -4.927 138 HG23 VAL 21 3HG2 VAL 21 1.302 -5.073 -3.358 139 HA PRO 22 HA PRO 22 7.263 -4.301 -6.246 140 HB2 PRO 22 1HB PRO 22 7.367 -3.210 -8.729 141 HB3 PRO 22 2HB PRO 22 7.261 -4.952 -8.449 142 HG2 PRO 22 1HG PRO 22 5.094 -3.012 -9.156 143 HG3 PRO 22 2HG PRO 22 5.387 -4.642 -9.789 144 HD2 PRO 22 1HD PRO 22 3.517 -4.127 -7.899 145 HD3 PRO 22 2HD PRO 22 4.408 -5.661 -7.968 146 H LEU 23 H LEU 23 7.500 -2.673 -4.741 147 HA LEU 23 HA LEU 23 6.984 0.068 -5.694 148 HB2 LEU 23 1HB LEU 23 5.619 -0.621 -3.751 149 HB3 LEU 23 2HB LEU 23 7.102 -0.908 -2.844 150 HG LEU 23 HG LEU 23 7.564 1.614 -3.381 151 HD11 LEU 23 1HD1 LEU 23 4.615 1.323 -3.841 152 HD12 LEU 23 2HD1 LEU 23 5.812 2.164 -4.824 153 HD13 LEU 23 3HD1 LEU 23 5.320 2.835 -3.269 154 HD21 LEU 23 1HD2 LEU 23 7.086 1.981 -1.216 155 HD22 LEU 23 2HD2 LEU 23 6.750 0.250 -1.189 156 HD23 LEU 23 3HD2 LEU 23 5.427 1.403 -1.374 157 H ASP 24 H ASP 24 8.716 1.285 -6.030 158 HA ASP 24 HA ASP 24 11.341 0.364 -5.627 159 HB2 ASP 24 1HB ASP 24 10.543 2.107 -7.302 160 HB3 ASP 24 2HB ASP 24 10.559 3.259 -5.969 161 H HIS 25 H HIS 25 12.684 0.463 -3.944 162 HA HIS 25 HA HIS 25 11.825 1.181 -1.383 163 HB2 HIS 25 1HB HIS 25 14.028 0.703 -0.646 164 HB3 HIS 25 2HB HIS 25 13.740 -0.373 -2.010 165 HD1 HIS 25 1HD HIS 25 15.103 0.047 -4.161 166 HD2 HIS 25 2HD HIS 25 15.986 2.663 -1.057 167 HE1 HIS 25 1HE HIS 25 17.223 1.214 -4.847 168 H ARG 26 H ARG 26 12.828 3.147 -3.937 169 HA ARG 26 HA ARG 26 13.964 5.271 -2.368 170 HB2 ARG 26 1HB ARG 26 13.250 4.879 -5.241 171 HB3 ARG 26 2HB ARG 26 13.470 6.520 -4.648 172 HG2 ARG 26 1HG ARG 26 15.528 4.360 -4.292 173 HG3 ARG 26 2HG ARG 26 15.489 5.444 -5.684 174 HD2 ARG 26 1HD ARG 26 15.715 6.288 -2.796 175 HD3 ARG 26 2HD ARG 26 17.041 6.230 -3.956 176 HE ARG 26 HE ARG 26 14.876 7.861 -4.858 177 HH11 ARG 26 1HH1 ARG 26 17.691 7.794 -2.811 178 HH12 ARG 26 2HH1 ARG 26 17.946 9.506 -2.884 179 HH21 ARG 26 1HH2 ARG 26 15.200 10.116 -4.961 180 HH22 ARG 26 2HH2 ARG 26 16.528 10.826 -4.106 181 H VAL 27 H VAL 27 10.843 4.179 -2.901 182 HA VAL 27 HA VAL 27 9.714 6.828 -2.264 183 HB VAL 27 HB VAL 27 7.622 6.123 -3.283 184 HG11 VAL 27 1HG1 VAL 27 9.936 6.783 -4.620 185 HG12 VAL 27 2HG1 VAL 27 9.343 5.379 -5.509 186 HG13 VAL 27 3HG1 VAL 27 8.309 6.793 -5.299 187 HG21 VAL 27 1HG2 VAL 27 7.153 4.030 -4.048 188 HG22 VAL 27 2HG2 VAL 27 8.832 3.682 -4.462 189 HG23 VAL 27 3HG2 VAL 27 8.304 3.604 -2.781 190 H HIS 28 H HIS 28 10.245 3.674 -1.166 191 HA HIS 28 HA HIS 28 8.066 2.990 0.343 192 HB2 HIS 28 1HB HIS 28 11.012 2.667 0.850 193 HB3 HIS 28 2HB HIS 28 9.825 2.068 2.006 194 HD2 HIS 28 2HD HIS 28 9.004 1.619 -1.761 195 HE1 HIS 28 1HE HIS 28 10.149 -2.154 -0.195 196 HE2 HIS 28 2HE HIS 28 9.270 -0.915 -2.205 197 H ALA 29 H ALA 29 10.862 4.695 1.758 198 HA ALA 29 HA ALA 29 9.695 5.442 4.135 199 HB1 ALA 29 1HB ALA 29 12.114 5.891 2.918 200 HB2 ALA 29 2HB ALA 29 11.444 7.516 3.070 201 HB3 ALA 29 3HB ALA 29 11.627 6.501 4.500 202 H ARG 30 H ARG 30 9.873 7.408 1.164 203 HA ARG 30 HA ARG 30 8.527 9.647 1.991 204 HB2 ARG 30 1HB ARG 30 8.819 8.265 -0.627 205 HB3 ARG 30 2HB ARG 30 7.596 9.524 -0.511 206 HG2 ARG 30 1HG ARG 30 9.486 10.635 -1.283 207 HG3 ARG 30 2HG ARG 30 9.464 10.988 0.446 208 HD2 ARG 30 1HD ARG 30 10.975 8.875 0.616 209 HD3 ARG 30 2HD ARG 30 11.263 9.167 -1.098 210 HE ARG 30 HE ARG 30 12.229 10.735 1.123 211 HH11 ARG 30 1HH1 ARG 30 11.563 10.656 -2.293 212 HH12 ARG 30 2HH1 ARG 30 12.670 11.935 -2.671 213 HH21 ARG 30 1HH2 ARG 30 13.689 12.419 0.639 214 HH22 ARG 30 2HH2 ARG 30 13.879 12.936 -1.003 215 H ILE 31 H ILE 31 7.215 6.503 1.215 216 HA ILE 31 HA ILE 31 4.473 7.446 1.315 217 HB ILE 31 HB ILE 31 5.616 4.670 1.008 218 HG12 ILE 31 1HG1 ILE 31 4.038 6.219 -1.029 219 HG13 ILE 31 2HG1 ILE 31 5.775 6.454 -0.867 220 HG21 ILE 31 1HG2 ILE 31 3.590 4.167 1.949 221 HG22 ILE 31 2HG2 ILE 31 2.823 5.636 1.348 222 HG23 ILE 31 3HG2 ILE 31 3.126 4.289 0.252 223 HD11 ILE 31 1HD1 ILE 31 4.596 3.731 -1.264 224 HD12 ILE 31 2HD1 ILE 31 4.949 4.802 -2.621 225 HD13 ILE 31 3HD1 ILE 31 6.248 4.278 -1.550 226 H ILE 32 H ILE 32 6.720 5.609 3.310 227 HA ILE 32 HA ILE 32 4.884 4.758 5.268 228 HB ILE 32 HB ILE 32 7.857 5.224 5.369 229 HG12 ILE 32 1HG1 ILE 32 6.402 2.614 5.684 230 HG13 ILE 32 2HG1 ILE 32 6.685 3.288 4.083 231 HG21 ILE 32 1HG2 ILE 32 7.271 5.592 7.599 232 HG22 ILE 32 2HG2 ILE 32 5.992 4.379 7.559 233 HG23 ILE 32 3HG2 ILE 32 7.683 3.878 7.545 234 HD11 ILE 32 1HD1 ILE 32 8.939 2.944 4.190 235 HD12 ILE 32 2HD1 ILE 32 8.981 3.032 5.951 236 HD13 ILE 32 3HD1 ILE 32 8.357 1.588 5.155 237 H GLY 33 H GLY 33 6.866 7.681 4.996 238 HA2 GLY 33 1HA GLY 33 6.281 9.791 5.843 239 HA3 GLY 33 2HA GLY 33 5.064 9.025 6.853 240 H ALA 34 H ALA 34 5.643 9.972 8.770 241 HA ALA 34 HA ALA 34 8.402 9.678 9.694 242 HB1 ALA 34 1HB ALA 34 6.187 11.497 10.293 243 HB2 ALA 34 2HB ALA 34 7.100 10.973 11.708 244 HB3 ALA 34 3HB ALA 34 7.929 11.763 10.367 245 H ARG 35 H ARG 35 5.194 9.295 11.216 246 HA ARG 35 HA ARG 35 6.301 7.070 12.784 247 HB2 ARG 35 1HB ARG 35 5.154 9.194 13.815 248 HB3 ARG 35 2HB ARG 35 3.667 8.355 13.391 249 HG2 ARG 35 1HG ARG 35 4.500 6.395 14.702 250 HG3 ARG 35 2HG ARG 35 5.833 7.412 15.251 251 HD2 ARG 35 1HD ARG 35 4.145 9.028 16.121 252 HD3 ARG 35 2HD ARG 35 2.888 7.863 15.707 253 HE ARG 35 HE ARG 35 4.722 7.731 17.930 254 HH11 ARG 35 1HH1 ARG 35 2.555 5.964 15.857 255 HH12 ARG 35 2HH1 ARG 35 2.301 4.683 16.995 256 HH21 ARG 35 1HH2 ARG 35 4.396 6.051 19.438 257 HH22 ARG 35 2HH2 ARG 35 3.349 4.734 19.032 258 H GLY 36 H GLY 36 5.050 7.187 9.956 259 HA2 GLY 36 1HA GLY 36 4.047 5.486 8.727 260 HA3 GLY 36 2HA GLY 36 3.625 4.684 10.233 261 H LYS 37 H LYS 37 2.847 8.013 9.385 262 HA LYS 37 HA LYS 37 0.022 7.404 9.780 263 HB2 LYS 37 1HB LYS 37 1.657 9.913 9.740 264 HB3 LYS 37 2HB LYS 37 -0.079 10.009 9.475 265 HG2 LYS 37 1HG LYS 37 0.000 10.308 11.731 266 HG3 LYS 37 2HG LYS 37 -0.162 8.552 11.663 267 HD2 LYS 37 1HD LYS 37 1.569 8.926 13.199 268 HD3 LYS 37 2HD LYS 37 2.394 8.493 11.700 269 HE2 LYS 37 1HE LYS 37 3.609 10.332 12.313 270 HE3 LYS 37 2HE LYS 37 2.367 11.097 11.324 271 HZ1 LYS 37 1HZ LYS 37 2.980 11.628 13.975 272 HZ2 LYS 37 2HZ LYS 37 1.465 10.878 13.988 273 HZ3 LYS 37 3HZ LYS 37 1.710 12.273 13.063 274 H ALA 38 H ALA 38 2.066 9.061 7.378 275 HA ALA 38 HA ALA 38 0.149 9.596 5.463 276 HB1 ALA 38 1HB ALA 38 3.061 8.902 5.144 277 HB2 ALA 38 2HB ALA 38 2.043 9.462 3.817 278 HB3 ALA 38 3HB ALA 38 2.329 10.506 5.209 279 H ILE 39 H ILE 39 1.707 6.570 6.242 280 HA ILE 39 HA ILE 39 0.686 5.235 3.881 281 HB ILE 39 HB ILE 39 2.867 4.575 4.784 282 HG12 ILE 39 1HG1 ILE 39 2.542 2.178 4.689 283 HG13 ILE 39 2HG1 ILE 39 0.845 2.351 5.121 284 HG21 ILE 39 1HG2 ILE 39 1.329 3.585 7.181 285 HG22 ILE 39 2HG2 ILE 39 3.059 3.399 6.897 286 HG23 ILE 39 3HG2 ILE 39 2.375 5.004 7.154 287 HD11 ILE 39 1HD1 ILE 39 0.235 2.948 3.028 288 HD12 ILE 39 2HD1 ILE 39 1.764 3.761 2.692 289 HD13 ILE 39 3HD1 ILE 39 1.668 2.001 2.623 290 H ARG 40 H ARG 40 -0.164 5.636 7.236 291 HA ARG 40 HA ARG 40 -1.927 3.469 7.524 292 HB2 ARG 40 1HB ARG 40 -0.985 5.233 9.253 293 HB3 ARG 40 2HB ARG 40 -2.490 6.066 8.888 294 HG2 ARG 40 1HG ARG 40 -2.419 3.188 9.736 295 HG3 ARG 40 2HG ARG 40 -2.486 4.519 10.893 296 HD2 ARG 40 1HD ARG 40 -4.454 4.383 8.647 297 HD3 ARG 40 2HD ARG 40 -4.687 3.389 10.085 298 HE ARG 40 HE ARG 40 -5.222 6.146 9.855 299 HH11 ARG 40 1HH1 ARG 40 -3.859 3.827 12.064 300 HH12 ARG 40 2HH1 ARG 40 -4.268 4.738 13.479 301 HH21 ARG 40 1HH2 ARG 40 -5.767 7.356 11.710 302 HH22 ARG 40 2HH2 ARG 40 -5.355 6.745 13.277 303 H LYS 41 H LYS 41 -2.657 6.883 6.790 304 HA LYS 41 HA LYS 41 -5.359 6.756 6.437 305 HB2 LYS 41 1HB LYS 41 -5.211 8.719 5.144 306 HB3 LYS 41 2HB LYS 41 -3.807 8.771 6.202 307 HG2 LYS 41 1HG LYS 41 -2.358 8.097 4.428 308 HG3 LYS 41 2HG LYS 41 -3.729 7.778 3.362 309 HD2 LYS 41 1HD LYS 41 -4.321 10.221 3.593 310 HD3 LYS 41 2HD LYS 41 -2.762 10.440 4.391 311 HE2 LYS 41 1HE LYS 41 -1.644 9.536 2.389 312 HE3 LYS 41 2HE LYS 41 -3.212 9.395 1.596 313 HZ1 LYS 41 1HZ LYS 41 -1.714 11.829 2.309 314 HZ2 LYS 41 2HZ LYS 41 -3.393 11.892 2.119 315 HZ3 LYS 41 3HZ LYS 41 -2.415 11.404 0.829 316 H ILE 42 H ILE 42 -2.865 5.692 4.193 317 HA ILE 42 HA ILE 42 -4.604 5.191 2.004 318 HB ILE 42 HB ILE 42 -1.916 3.947 2.592 319 HG12 ILE 42 1HG1 ILE 42 -2.616 6.367 0.915 320 HG13 ILE 42 2HG1 ILE 42 -1.861 6.419 2.504 321 HG21 ILE 42 1HG2 ILE 42 -2.164 2.771 0.728 322 HG22 ILE 42 2HG2 ILE 42 -3.818 3.366 0.596 323 HG23 ILE 42 3HG2 ILE 42 -2.502 4.240 -0.187 324 HD11 ILE 42 1HD1 ILE 42 -0.705 5.347 -0.050 325 HD12 ILE 42 2HD1 ILE 42 -0.148 6.719 0.909 326 HD13 ILE 42 3HD1 ILE 42 0.024 5.078 1.533 327 H MET 43 H MET 43 -3.498 3.270 4.732 328 HA MET 43 HA MET 43 -4.444 0.769 3.800 329 HB2 MET 43 1HB MET 43 -3.562 1.874 6.422 330 HB3 MET 43 2HB MET 43 -4.479 0.374 6.431 331 HG2 MET 43 1HG MET 43 -2.791 -0.467 4.716 332 HG3 MET 43 2HG MET 43 -1.817 0.928 5.176 333 HE1 MET 43 1HE MET 43 0.004 0.700 6.874 334 HE2 MET 43 2HE MET 43 -1.291 1.422 7.829 335 HE3 MET 43 3HE MET 43 -0.331 0.103 8.500 336 H ASP 44 H ASP 44 -5.821 3.060 6.160 337 HA ASP 44 HA ASP 44 -8.250 1.659 6.495 338 HB2 ASP 44 1HB ASP 44 -7.262 4.393 7.166 339 HB3 ASP 44 2HB ASP 44 -8.998 4.103 7.221 340 H GLU 45 H GLU 45 -7.129 3.876 4.086 341 HA GLU 45 HA GLU 45 -9.499 4.921 3.099 342 HB2 GLU 45 1HB GLU 45 -7.289 5.637 2.321 343 HB3 GLU 45 2HB GLU 45 -7.046 4.078 1.546 344 HG2 GLU 45 1HG GLU 45 -8.645 4.513 -0.100 345 HG3 GLU 45 2HG GLU 45 -9.349 5.847 0.814 346 H PHE 46 H PHE 46 -7.872 1.896 2.171 347 HA PHE 46 HA PHE 46 -10.395 1.025 0.924 348 HB2 PHE 46 1HB PHE 46 -7.658 -0.096 0.323 349 HB3 PHE 46 2HB PHE 46 -9.144 -0.322 -0.594 350 HD1 PHE 46 1HD PHE 46 -6.666 2.242 0.425 351 HD2 PHE 46 2HD PHE 46 -9.683 1.104 -2.354 352 HE1 PHE 46 1HE PHE 46 -6.072 4.158 -0.999 353 HE2 PHE 46 2HE PHE 46 -9.093 3.018 -3.783 354 HZ PHE 46 HZ PHE 46 -7.285 4.548 -3.107 355 H LYS 47 H LYS 47 -8.878 0.744 3.713 356 HA LYS 47 HA LYS 47 -8.892 -0.756 5.423 357 HB2 LYS 47 1HB LYS 47 -10.924 -2.117 3.648 358 HB3 LYS 47 2HB LYS 47 -10.571 -2.611 5.298 359 HG2 LYS 47 1HG LYS 47 -12.528 -1.283 5.367 360 HG3 LYS 47 2HG LYS 47 -11.217 -0.305 6.031 361 HD2 LYS 47 1HD LYS 47 -11.186 1.118 4.234 362 HD3 LYS 47 2HD LYS 47 -11.794 -0.106 3.117 363 HE2 LYS 47 1HE LYS 47 -13.493 1.042 5.314 364 HE3 LYS 47 2HE LYS 47 -13.365 1.810 3.733 365 HZ1 LYS 47 1HZ LYS 47 -14.274 -0.099 2.692 366 HZ2 LYS 47 2HZ LYS 47 -15.283 0.265 3.999 367 HZ3 LYS 47 3HZ LYS 47 -14.184 -1.015 4.112 368 H VAL 48 H VAL 48 -6.804 -0.992 3.632 369 HA VAL 48 HA VAL 48 -6.404 -3.908 3.459 370 HB VAL 48 HB VAL 48 -4.699 -3.444 1.731 371 HG11 VAL 48 1HG1 VAL 48 -6.287 -2.781 -0.062 372 HG12 VAL 48 2HG1 VAL 48 -6.910 -4.042 1.004 373 HG13 VAL 48 3HG1 VAL 48 -7.466 -2.378 1.186 374 HG21 VAL 48 1HG2 VAL 48 -5.533 -0.799 1.008 375 HG22 VAL 48 2HG2 VAL 48 -4.939 -0.804 2.669 376 HG23 VAL 48 3HG2 VAL 48 -3.913 -1.398 1.363 377 H ASP 49 H ASP 49 -4.239 -4.694 3.878 378 HA ASP 49 HA ASP 49 -2.830 -3.023 5.854 379 HB2 ASP 49 1HB ASP 49 -3.278 -5.987 5.669 380 HB3 ASP 49 2HB ASP 49 -1.908 -5.351 6.575 381 H ILE 50 H ILE 50 -1.053 -2.145 5.036 382 HA ILE 50 HA ILE 50 0.402 -3.518 2.906 383 HB ILE 50 HB ILE 50 0.912 -0.762 4.028 384 HG12 ILE 50 1HG1 ILE 50 -0.460 -1.257 1.413 385 HG13 ILE 50 2HG1 ILE 50 -1.400 -1.327 2.900 386 HG21 ILE 50 1HG2 ILE 50 1.656 -1.092 1.298 387 HG22 ILE 50 2HG2 ILE 50 2.676 -0.720 2.686 388 HG23 ILE 50 3HG2 ILE 50 2.368 -2.399 2.244 389 HD11 ILE 50 1HD1 ILE 50 -1.654 0.859 2.156 390 HD12 ILE 50 2HD1 ILE 50 -0.411 0.978 3.402 391 HD13 ILE 50 3HD1 ILE 50 0.042 1.002 1.697 392 H ARG 51 H ARG 51 2.301 -4.503 3.198 393 HA ARG 51 HA ARG 51 3.729 -4.050 5.735 394 HB2 ARG 51 1HB ARG 51 2.469 -6.280 5.478 395 HB3 ARG 51 2HB ARG 51 3.709 -6.695 4.302 396 HG2 ARG 51 1HG ARG 51 4.515 -7.634 6.249 397 HG3 ARG 51 2HG ARG 51 5.369 -6.091 6.186 398 HD2 ARG 51 1HD ARG 51 3.769 -5.119 7.735 399 HD3 ARG 51 2HD ARG 51 2.850 -6.623 7.757 400 HE ARG 51 HE ARG 51 5.278 -6.051 9.188 401 HH11 ARG 51 1HH1 ARG 51 3.242 -8.550 7.873 402 HH12 ARG 51 2HH1 ARG 51 3.823 -9.773 8.953 403 HH21 ARG 51 1HH2 ARG 51 6.052 -7.653 10.616 404 HH22 ARG 51 2HH2 ARG 51 5.421 -9.262 10.514 405 H PHE 52 H PHE 52 5.571 -3.041 5.300 406 HA PHE 52 HA PHE 52 6.837 -3.231 2.722 407 HB2 PHE 52 1HB PHE 52 7.553 -1.778 5.268 408 HB3 PHE 52 2HB PHE 52 8.573 -1.742 3.834 409 HD1 PHE 52 1HD PHE 52 7.534 -0.886 1.667 410 HD2 PHE 52 2HD PHE 52 5.782 -0.294 5.500 411 HE1 PHE 52 1HE PHE 52 6.204 0.978 0.767 412 HE2 PHE 52 2HE PHE 52 4.448 1.570 4.607 413 HZ PHE 52 HZ PHE 52 4.657 2.208 2.237 414 HA PRO 53 HA PRO 53 9.715 -6.450 3.510 415 HB2 PRO 53 1HB PRO 53 11.841 -5.619 2.040 416 HB3 PRO 53 2HB PRO 53 10.357 -6.247 1.313 417 HG2 PRO 53 1HG PRO 53 11.225 -3.407 1.693 418 HG3 PRO 53 2HG PRO 53 10.464 -4.165 0.282 419 HD2 PRO 53 1HD PRO 53 9.073 -2.670 2.061 420 HD3 PRO 53 2HD PRO 53 8.353 -4.045 1.200 421 H GLN 54 H GLN 54 10.765 -6.788 5.357 422 HA GLN 54 HA GLN 54 12.021 -4.701 6.828 423 HB2 GLN 54 1HB GLN 54 12.740 -6.565 8.343 424 HB3 GLN 54 2HB GLN 54 11.008 -6.489 8.049 425 HG2 GLN 54 1HG GLN 54 11.160 -8.306 6.466 426 HG3 GLN 54 2HG GLN 54 12.914 -8.345 6.643 427 HE21 GLN 54 1HE2 GLN 54 13.732 -9.690 8.086 428 HE22 GLN 54 2HE2 GLN 54 12.856 -10.465 9.357 429 H SER 55 H SER 55 14.311 -5.185 7.771 430 HA SER 55 HA SER 55 16.163 -4.850 5.692 431 HB2 SER 55 1HB SER 55 17.880 -4.976 7.430 432 HB3 SER 55 2HB SER 55 16.514 -4.013 7.993 433 HG SER 55 HG SER 55 15.768 -5.972 9.041 434 H GLY 56 H GLY 56 14.760 -7.673 6.958 435 HA2 GLY 56 1HA GLY 56 16.931 -9.340 5.855 436 HA3 GLY 56 2HA GLY 56 15.778 -9.873 7.070 437 H ALA 57 H ALA 57 14.077 -8.078 4.899 438 HA ALA 57 HA ALA 57 12.704 -10.316 3.840 439 HB1 ALA 57 1HB ALA 57 11.230 -8.816 2.946 440 HB2 ALA 57 2HB ALA 57 11.966 -7.812 4.197 441 HB3 ALA 57 3HB ALA 57 12.492 -7.660 2.520 442 HA PRO 58 HA PRO 58 15.088 -11.329 0.287 443 HB2 PRO 58 1HB PRO 58 13.141 -12.356 -1.303 444 HB3 PRO 58 2HB PRO 58 13.772 -13.205 0.113 445 HG2 PRO 58 1HG PRO 58 11.270 -11.585 -0.165 446 HG3 PRO 58 2HG PRO 58 11.512 -13.139 0.654 447 HD2 PRO 58 1HD PRO 58 11.401 -10.788 1.993 448 HD3 PRO 58 2HD PRO 58 12.399 -12.151 2.538 449 H ASP 59 H ASP 59 12.012 -9.662 -0.369 450 HA ASP 59 HA ASP 59 13.315 -8.296 -2.630 451 HB2 ASP 59 1HB ASP 59 10.510 -9.197 -2.146 452 HB3 ASP 59 2HB ASP 59 10.769 -7.760 -3.131 453 HA PRO 60 HA PRO 60 12.955 -4.977 0.489 454 HB2 PRO 60 1HB PRO 60 15.069 -3.569 -0.469 455 HB3 PRO 60 2HB PRO 60 15.247 -4.928 0.647 456 HG2 PRO 60 1HG PRO 60 15.581 -4.863 -2.327 457 HG3 PRO 60 2HG PRO 60 16.585 -5.665 -1.106 458 HD2 PRO 60 1HD PRO 60 14.753 -6.998 -2.590 459 HD3 PRO 60 2HD PRO 60 15.150 -7.459 -0.922 460 H ASN 61 H ASN 61 12.263 -5.259 -2.718 461 HA ASN 61 HA ASN 61 11.497 -2.421 -2.928 462 HB2 ASN 61 1HB ASN 61 11.892 -4.070 -5.387 463 HB3 ASN 61 2HB ASN 61 12.094 -2.336 -5.157 464 HD21 ASN 61 1HD2 ASN 61 13.740 -2.427 -2.882 465 HD22 ASN 61 2HD2 ASN 61 15.280 -3.048 -3.359 466 H CYS 62 H CYS 62 10.199 -5.157 -2.127 467 HA CYS 62 HA CYS 62 7.741 -4.715 -3.688 468 HB2 CYS 62 1HB CYS 62 9.153 -6.914 -4.063 469 HB3 CYS 62 2HB CYS 62 8.362 -7.420 -2.575 470 HG CYS 62 HG CYS 62 5.903 -7.665 -3.524 471 H VAL 63 H VAL 63 5.794 -4.854 -2.586 472 HA VAL 63 HA VAL 63 5.993 -5.090 0.346 473 HB VAL 63 HB VAL 63 4.471 -3.313 0.673 474 HG11 VAL 63 1HG1 VAL 63 6.379 -2.133 0.434 475 HG12 VAL 63 2HG1 VAL 63 6.741 -2.834 -1.144 476 HG13 VAL 63 3HG1 VAL 63 5.574 -1.519 -1.010 477 HG21 VAL 63 1HG2 VAL 63 2.763 -3.251 -0.781 478 HG22 VAL 63 2HG2 VAL 63 3.790 -2.145 -1.694 479 HG23 VAL 63 3HG2 VAL 63 3.747 -3.858 -2.114 480 H THR 64 H THR 64 4.363 -6.163 1.399 481 HA THR 64 HA THR 64 2.600 -7.755 -0.304 482 HB THR 64 HB THR 64 3.453 -8.035 2.573 483 HG1 THR 64 1HG THR 64 4.401 -9.900 1.797 484 HG21 THR 64 1HG2 THR 64 2.054 -10.142 2.536 485 HG22 THR 64 2HG2 THR 64 1.267 -9.493 1.097 486 HG23 THR 64 3HG2 THR 64 1.154 -8.629 2.631 487 H VAL 65 H VAL 65 0.704 -6.817 -0.732 488 HA VAL 65 HA VAL 65 -0.628 -5.254 1.364 489 HB VAL 65 HB VAL 65 -1.117 -5.406 -1.610 490 HG11 VAL 65 1HG1 VAL 65 -3.255 -4.985 -1.002 491 HG12 VAL 65 2HG1 VAL 65 -2.798 -4.373 0.589 492 HG13 VAL 65 3HG1 VAL 65 -2.639 -3.342 -0.833 493 HG21 VAL 65 1HG2 VAL 65 0.609 -3.945 -1.485 494 HG22 VAL 65 2HG2 VAL 65 -0.683 -2.814 -1.081 495 HG23 VAL 65 3HG2 VAL 65 0.287 -3.539 0.201 496 H THR 66 H THR 66 -2.265 -6.100 2.458 497 HA THR 66 HA THR 66 -3.514 -8.559 1.455 498 HB THR 66 HB THR 66 -3.990 -7.511 4.219 499 HG1 THR 66 1HG THR 66 -1.605 -7.667 3.495 500 HG21 THR 66 1HG2 THR 66 -4.040 -10.146 2.812 501 HG22 THR 66 2HG2 THR 66 -5.236 -9.423 3.888 502 HG23 THR 66 3HG2 THR 66 -3.750 -10.103 4.551 503 H GLY 67 H GLY 67 -5.850 -8.843 1.858 504 HA2 GLY 67 1HA GLY 67 -7.922 -7.560 2.493 505 HA3 GLY 67 2HA GLY 67 -7.277 -6.284 1.470 506 H LEU 68 H LEU 68 -9.804 -7.318 1.052 507 HA LEU 68 HA LEU 68 -10.175 -9.426 -0.638 508 HB2 LEU 68 1HB LEU 68 -11.465 -6.715 -0.601 509 HB3 LEU 68 2HB LEU 68 -11.991 -7.981 -1.708 510 HG LEU 68 HG LEU 68 -13.425 -7.822 0.274 511 HD11 LEU 68 1HD1 LEU 68 -11.796 -10.358 0.205 512 HD12 LEU 68 2HD1 LEU 68 -13.134 -9.970 -0.877 513 HD13 LEU 68 3HD1 LEU 68 -13.428 -10.177 0.850 514 HD21 LEU 68 1HD2 LEU 68 -12.625 -8.350 2.467 515 HD22 LEU 68 2HD2 LEU 68 -11.628 -7.047 1.819 516 HD23 LEU 68 3HD2 LEU 68 -11.010 -8.699 1.849 517 HA PRO 69 HA PRO 69 -8.107 -8.658 -4.434 518 HB2 PRO 69 1HB PRO 69 -9.815 -9.796 -6.210 519 HB3 PRO 69 2HB PRO 69 -8.811 -10.740 -5.103 520 HG2 PRO 69 1HG PRO 69 -11.698 -9.985 -4.865 521 HG3 PRO 69 2HG PRO 69 -10.916 -11.539 -4.522 522 HD2 PRO 69 1HD PRO 69 -11.582 -9.781 -2.573 523 HD3 PRO 69 2HD PRO 69 -10.169 -10.849 -2.454 524 H GLU 70 H GLU 70 -11.254 -7.387 -3.862 525 HA GLU 70 HA GLU 70 -11.259 -5.805 -6.310 526 HB2 GLU 70 1HB GLU 70 -13.471 -5.062 -5.604 527 HB3 GLU 70 2HB GLU 70 -13.365 -6.816 -5.553 528 HG2 GLU 70 1HG GLU 70 -14.392 -6.458 -3.568 529 HG3 GLU 70 2HG GLU 70 -12.715 -6.347 -3.037 530 H ASN 71 H ASN 71 -10.633 -5.480 -2.901 531 HA ASN 71 HA ASN 71 -10.562 -2.579 -3.024 532 HB2 ASN 71 1HB ASN 71 -10.062 -4.560 -0.800 533 HB3 ASN 71 2HB ASN 71 -9.827 -2.826 -0.604 534 HD21 ASN 71 1HD2 ASN 71 -11.723 -4.754 0.628 535 HD22 ASN 71 2HD2 ASN 71 -13.288 -4.069 0.370 536 H VAL 72 H VAL 72 -8.326 -5.292 -2.766 537 HA VAL 72 HA VAL 72 -5.971 -3.871 -2.267 538 HB VAL 72 HB VAL 72 -6.469 -6.492 -3.659 539 HG11 VAL 72 1HG1 VAL 72 -4.474 -6.210 -4.653 540 HG12 VAL 72 2HG1 VAL 72 -4.010 -4.890 -3.576 541 HG13 VAL 72 3HG1 VAL 72 -3.822 -6.565 -3.053 542 HG21 VAL 72 1HG2 VAL 72 -6.832 -6.267 -1.195 543 HG22 VAL 72 2HG2 VAL 72 -5.619 -7.465 -1.648 544 HG23 VAL 72 3HG2 VAL 72 -5.117 -5.890 -1.034 545 H GLU 73 H GLU 73 -7.414 -4.865 -5.362 546 HA GLU 73 HA GLU 73 -5.467 -3.926 -7.085 547 HB2 GLU 73 1HB GLU 73 -7.186 -3.843 -8.792 548 HB3 GLU 73 2HB GLU 73 -7.429 -5.259 -7.779 549 HG2 GLU 73 1HG GLU 73 -9.093 -3.818 -6.481 550 HG3 GLU 73 2HG GLU 73 -9.016 -2.721 -7.859 551 H GLU 74 H GLU 74 -8.190 -2.165 -5.654 552 HA GLU 74 HA GLU 74 -7.684 0.279 -6.998 553 HB2 GLU 74 1HB GLU 74 -9.132 -0.203 -4.388 554 HB3 GLU 74 2HB GLU 74 -9.206 1.270 -5.344 555 HG2 GLU 74 1HG GLU 74 -9.985 -0.426 -7.219 556 HG3 GLU 74 2HG GLU 74 -10.478 -1.364 -5.811 557 H ALA 75 H ALA 75 -6.485 -1.148 -4.043 558 HA ALA 75 HA ALA 75 -5.349 1.219 -2.951 559 HB1 ALA 75 1HB ALA 75 -3.893 -1.027 -2.045 560 HB2 ALA 75 2HB ALA 75 -5.160 -0.133 -1.204 561 HB3 ALA 75 3HB ALA 75 -5.578 -1.522 -2.207 562 H ILE 76 H ILE 76 -4.003 -1.468 -4.848 563 HA ILE 76 HA ILE 76 -1.342 -0.692 -4.883 564 HB ILE 76 HB ILE 76 -2.894 -2.018 -7.110 565 HG12 ILE 76 1HG1 ILE 76 -1.090 -3.429 -5.176 566 HG13 ILE 76 2HG1 ILE 76 -2.740 -3.042 -4.700 567 HG21 ILE 76 1HG2 ILE 76 0.017 -1.512 -6.684 568 HG22 ILE 76 2HG2 ILE 76 -0.503 -2.965 -7.535 569 HG23 ILE 76 3HG2 ILE 76 -0.944 -1.375 -8.157 570 HD11 ILE 76 1HD1 ILE 76 -3.424 -4.219 -6.871 571 HD12 ILE 76 2HD1 ILE 76 -1.787 -4.876 -6.860 572 HD13 ILE 76 3HD1 ILE 76 -2.880 -5.207 -5.516 573 H ASP 77 H ASP 77 -3.814 0.041 -7.350 574 HA ASP 77 HA ASP 77 -2.379 1.622 -9.046 575 HB2 ASP 77 1HB ASP 77 -4.875 0.956 -9.116 576 HB3 ASP 77 2HB ASP 77 -5.150 2.441 -8.208 577 H HIS 78 H HIS 78 -3.762 2.549 -5.936 578 HA HIS 78 HA HIS 78 -3.087 5.313 -6.168 579 HB2 HIS 78 1HB HIS 78 -4.890 4.583 -4.693 580 HB3 HIS 78 2HB HIS 78 -3.750 3.647 -3.731 581 HD1 HIS 78 1HD HIS 78 -5.324 6.896 -3.912 582 HD2 HIS 78 2HD HIS 78 -1.762 5.383 -2.401 583 HE1 HIS 78 1HE HIS 78 -4.483 8.637 -2.304 584 H ILE 79 H ILE 79 -1.545 2.488 -4.730 585 HA ILE 79 HA ILE 79 0.511 3.804 -3.351 586 HB ILE 79 HB ILE 79 0.426 1.048 -4.574 587 HG12 ILE 79 1HG1 ILE 79 0.283 1.901 -1.678 588 HG13 ILE 79 2HG1 ILE 79 -1.137 1.620 -2.679 589 HG21 ILE 79 1HG2 ILE 79 2.637 0.978 -4.315 590 HG22 ILE 79 2HG2 ILE 79 2.660 2.518 -3.458 591 HG23 ILE 79 3HG2 ILE 79 2.341 1.023 -2.578 592 HD11 ILE 79 1HD1 ILE 79 0.628 -0.276 -1.352 593 HD12 ILE 79 2HD1 ILE 79 -1.040 -0.460 -1.895 594 HD13 ILE 79 3HD1 ILE 79 0.288 -0.682 -3.034 595 H LEU 80 H LEU 80 0.674 2.186 -6.530 596 HA LEU 80 HA LEU 80 3.244 3.047 -7.197 597 HB2 LEU 80 1HB LEU 80 0.883 2.107 -8.757 598 HB3 LEU 80 2HB LEU 80 2.267 2.777 -9.618 599 HG LEU 80 HG LEU 80 2.747 0.601 -7.642 600 HD11 LEU 80 1HD1 LEU 80 0.747 0.054 -9.195 601 HD12 LEU 80 2HD1 LEU 80 2.052 -1.119 -9.020 602 HD13 LEU 80 3HD1 LEU 80 1.980 -0.087 -10.448 603 HD21 LEU 80 1HD2 LEU 80 4.580 1.788 -8.824 604 HD22 LEU 80 2HD2 LEU 80 3.934 1.189 -10.351 605 HD23 LEU 80 3HD2 LEU 80 4.539 0.054 -9.144 606 H ASN 81 H ASN 81 0.144 4.641 -7.487 607 HA ASN 81 HA ASN 81 0.770 6.662 -9.290 608 HB2 ASN 81 1HB ASN 81 -1.486 6.551 -8.726 609 HB3 ASN 81 2HB ASN 81 -1.154 6.462 -6.999 610 HD21 ASN 81 1HD2 ASN 81 -2.329 8.143 -6.290 611 HD22 ASN 81 2HD2 ASN 81 -2.071 9.786 -6.759 612 H LEU 82 H LEU 82 1.217 6.567 -5.773 613 HA LEU 82 HA LEU 82 2.370 9.188 -5.659 614 HB2 LEU 82 1HB LEU 82 2.420 6.958 -3.630 615 HB3 LEU 82 2HB LEU 82 2.867 8.637 -3.330 616 HG LEU 82 HG LEU 82 0.102 7.703 -4.097 617 HD11 LEU 82 1HD1 LEU 82 -0.522 7.920 -1.833 618 HD12 LEU 82 2HD1 LEU 82 1.020 8.655 -1.397 619 HD13 LEU 82 3HD1 LEU 82 0.950 6.949 -1.838 620 HD21 LEU 82 1HD2 LEU 82 0.364 10.271 -2.782 621 HD22 LEU 82 2HD2 LEU 82 -0.471 9.847 -4.277 622 HD23 LEU 82 3HD2 LEU 82 1.254 10.215 -4.304 623 H GLU 83 H GLU 83 3.553 5.961 -6.135 624 HA GLU 83 HA GLU 83 6.234 6.311 -5.388 625 HB2 GLU 83 1HB GLU 83 5.473 4.096 -5.760 626 HB3 GLU 83 2HB GLU 83 4.904 4.483 -7.378 627 HG2 GLU 83 1HG GLU 83 7.797 4.803 -6.800 628 HG3 GLU 83 2HG GLU 83 7.151 3.171 -6.966 629 H GLU 84 H GLU 84 4.608 6.804 -8.502 630 HA GLU 84 HA GLU 84 6.941 7.533 -9.931 631 HB2 GLU 84 1HB GLU 84 4.533 6.854 -10.754 632 HB3 GLU 84 2HB GLU 84 4.248 8.588 -10.692 633 HG2 GLU 84 1HG GLU 84 4.898 8.258 -12.877 634 HG3 GLU 84 2HG GLU 84 6.398 8.764 -12.103 635 H GLU 85 H GLU 85 4.400 9.450 -8.355 636 HA GLU 85 HA GLU 85 5.347 11.983 -9.064 637 HB2 GLU 85 1HB GLU 85 3.146 11.760 -8.146 638 HB3 GLU 85 2HB GLU 85 3.773 11.054 -6.663 639 HG2 GLU 85 1HG GLU 85 3.332 13.191 -5.984 640 HG3 GLU 85 2HG GLU 85 5.028 13.328 -6.446 641 H TYR 86 H TYR 86 6.194 9.866 -6.377 642 HA TYR 86 HA TYR 86 7.812 11.755 -5.004 643 HB2 TYR 86 1HB TYR 86 7.558 8.759 -4.892 644 HB3 TYR 86 2HB TYR 86 8.776 9.606 -3.946 645 HD1 TYR 86 2HD TYR 86 7.383 11.988 -3.031 646 HD2 TYR 86 1HD TYR 86 5.949 7.999 -3.407 647 HE1 TYR 86 2HE TYR 86 5.717 12.427 -1.275 648 HE2 TYR 86 1HE TYR 86 4.279 8.428 -1.653 649 HH TYR 86 HH TYR 86 4.408 10.993 0.421 650 H LEU 87 H LEU 87 8.729 8.887 -6.922 651 HA LEU 87 HA LEU 87 11.452 9.270 -6.985 652 HB2 LEU 87 1HB LEU 87 9.510 8.017 -8.863 653 HB3 LEU 87 2HB LEU 87 11.182 8.218 -9.383 654 HG LEU 87 HG LEU 87 10.313 6.705 -6.921 655 HD11 LEU 87 1HD1 LEU 87 11.299 4.809 -8.487 656 HD12 LEU 87 2HD1 LEU 87 10.712 5.894 -9.746 657 HD13 LEU 87 3HD1 LEU 87 9.597 5.269 -8.532 658 HD21 LEU 87 1HD2 LEU 87 12.466 6.524 -6.383 659 HD22 LEU 87 2HD2 LEU 87 12.773 7.812 -7.548 660 HD23 LEU 87 3HD2 LEU 87 12.923 6.124 -8.038 661 H ALA 88 H ALA 88 9.015 10.643 -9.164 662 HA ALA 88 HA ALA 88 10.522 11.861 -11.067 663 HB1 ALA 88 1HB ALA 88 8.603 13.788 -10.239 664 HB2 ALA 88 2HB ALA 88 8.534 12.679 -11.608 665 HB3 ALA 88 3HB ALA 88 7.902 12.182 -10.038 666 H ASP 89 H ASP 89 10.091 12.920 -7.735 667 HA ASP 89 HA ASP 89 11.904 15.178 -8.217 668 HB2 ASP 89 1HB ASP 89 9.743 15.668 -7.107 669 HB3 ASP 89 2HB ASP 89 10.193 14.585 -5.793 670 H SER 90 H SER 90 13.558 13.351 -8.410 671 HA SER 90 HA SER 90 14.651 12.771 -5.734 672 HB2 SER 90 1HB SER 90 15.670 10.732 -6.719 673 HB3 SER 90 2HB SER 90 13.908 10.703 -6.787 674 HG SER 90 HG SER 90 15.677 11.367 -8.906 675 H GLY 91 H GLY 91 16.363 14.014 -5.369 676 HA2 GLY 91 1HA GLY 91 18.337 15.143 -5.676 677 HA3 GLY 91 2HA GLY 91 18.698 13.937 -6.902 678 HA PRO 92 HA PRO 92 18.496 18.011 -9.047 679 HB2 PRO 92 1HB PRO 92 20.613 17.507 -10.669 680 HB3 PRO 92 2HB PRO 92 20.788 18.162 -9.037 681 HG2 PRO 92 1HG PRO 92 21.109 15.343 -9.991 682 HG3 PRO 92 2HG PRO 92 22.115 16.261 -8.855 683 HD2 PRO 92 1HD PRO 92 20.270 14.457 -8.036 684 HD3 PRO 92 2HD PRO 92 20.671 15.908 -7.094 685 H SER 93 H SER 93 17.151 18.247 -10.712 686 HA SER 93 HA SER 93 16.864 16.015 -12.611 687 HB2 SER 93 1HB SER 93 14.877 16.768 -11.143 688 HB3 SER 93 2HB SER 93 14.809 18.178 -12.200 689 HG SER 93 HG SER 93 14.980 15.766 -13.516 690 H SER 94 H SER 94 16.795 19.562 -12.393 691 HA SER 94 HA SER 94 16.984 19.871 -15.250 692 HB2 SER 94 1HB SER 94 15.901 21.465 -13.446 693 HB3 SER 94 2HB SER 94 17.536 22.120 -13.353 694 HG SER 94 HG SER 94 17.434 22.553 -15.570 695 H GLY 95 H GLY 95 18.880 18.994 -15.983 696 HA2 GLY 95 1HA GLY 95 21.181 20.527 -16.037 697 HA3 GLY 95 2HA GLY 95 21.397 19.394 -14.710 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -32.468 10.536 -12.022 2 HA2 GLY 1 1HA GLY 1 -34.076 10.466 -9.790 3 HA3 GLY 1 2HA GLY 1 -34.926 9.503 -10.991 4 H SER 2 H SER 2 -31.439 9.804 -10.420 5 HA SER 2 HA SER 2 -30.822 7.142 -10.784 6 HB2 SER 2 1HB SER 2 -29.198 9.067 -10.591 7 HB3 SER 2 2HB SER 2 -29.381 8.957 -8.841 8 HG SER 2 HG SER 2 -28.725 6.657 -10.309 9 H SER 3 H SER 3 -30.771 5.333 -9.542 10 HA SER 3 HA SER 3 -31.589 5.559 -6.730 11 HB2 SER 3 1HB SER 3 -32.815 3.767 -8.830 12 HB3 SER 3 2HB SER 3 -33.008 3.483 -7.100 13 HG SER 3 HG SER 3 -33.772 5.827 -8.510 14 H GLY 4 H GLY 4 -30.197 4.552 -5.448 15 HA2 GLY 4 1HA GLY 4 -29.308 2.142 -5.151 16 HA3 GLY 4 2HA GLY 4 -28.430 2.517 -6.627 17 H SER 5 H SER 5 -28.471 2.750 -3.234 18 HA SER 5 HA SER 5 -26.079 4.472 -3.301 19 HB2 SER 5 1HB SER 5 -26.657 5.176 -1.006 20 HB3 SER 5 2HB SER 5 -27.938 5.576 -2.149 21 HG SER 5 HG SER 5 -28.755 3.359 -1.415 22 H SER 6 H SER 6 -24.828 2.535 -3.654 23 HA SER 6 HA SER 6 -24.806 0.301 -1.990 24 HB2 SER 6 1HB SER 6 -22.610 -0.175 -2.889 25 HB3 SER 6 2HB SER 6 -23.611 0.494 -4.178 26 HG SER 6 HG SER 6 -21.969 1.802 -4.391 27 H GLY 7 H GLY 7 -23.037 -0.326 -0.471 28 HA2 GLY 7 1HA GLY 7 -22.099 1.972 1.124 29 HA3 GLY 7 2HA GLY 7 -22.910 0.617 1.896 30 H ARG 8 H ARG 8 -20.205 1.667 2.316 31 HA ARG 8 HA ARG 8 -18.285 -0.030 1.132 32 HB2 ARG 8 1HB ARG 8 -18.346 1.822 3.462 33 HB3 ARG 8 2HB ARG 8 -17.039 0.648 3.389 34 HG2 ARG 8 1HG ARG 8 -17.691 2.488 1.107 35 HG3 ARG 8 2HG ARG 8 -16.571 2.921 2.400 36 HD2 ARG 8 1HD ARG 8 -15.372 0.733 1.848 37 HD3 ARG 8 2HD ARG 8 -16.331 0.722 0.368 38 HE ARG 8 HE ARG 8 -15.022 2.415 -0.460 39 HH11 ARG 8 1HH1 ARG 8 -14.434 2.056 2.952 40 HH12 ARG 8 2HH1 ARG 8 -13.071 3.125 2.963 41 HH21 ARG 8 1HH2 ARG 8 -13.229 3.825 -0.459 42 HH22 ARG 8 2HH2 ARG 8 -12.387 4.132 1.022 43 H ILE 9 H ILE 9 -16.916 -1.576 2.415 44 HA ILE 9 HA ILE 9 -18.263 -2.986 4.559 45 HB ILE 9 HB ILE 9 -17.852 -5.193 3.220 46 HG12 ILE 9 1HG1 ILE 9 -18.509 -4.768 0.775 47 HG13 ILE 9 2HG1 ILE 9 -18.046 -3.095 1.064 48 HG21 ILE 9 1HG2 ILE 9 -20.064 -3.683 3.833 49 HG22 ILE 9 2HG2 ILE 9 -20.243 -3.964 2.102 50 HG23 ILE 9 3HG2 ILE 9 -20.081 -5.331 3.205 51 HD11 ILE 9 1HD1 ILE 9 -16.314 -4.608 0.010 52 HD12 ILE 9 2HD1 ILE 9 -15.800 -3.671 1.413 53 HD13 ILE 9 3HD1 ILE 9 -16.182 -5.383 1.588 54 H VAL 10 H VAL 10 -16.866 -5.190 4.866 55 HA VAL 10 HA VAL 10 -14.030 -4.395 4.755 56 HB VAL 10 HB VAL 10 -15.331 -5.878 7.042 57 HG11 VAL 10 1HG1 VAL 10 -12.564 -5.243 6.300 58 HG12 VAL 10 2HG1 VAL 10 -12.987 -4.875 7.973 59 HG13 VAL 10 3HG1 VAL 10 -13.197 -6.511 7.348 60 HG21 VAL 10 1HG2 VAL 10 -14.276 -3.081 7.211 61 HG22 VAL 10 2HG2 VAL 10 -15.931 -3.387 6.685 62 HG23 VAL 10 3HG2 VAL 10 -15.401 -3.915 8.282 63 H GLY 11 H GLY 11 -16.264 -7.135 5.176 64 HA2 GLY 11 1HA GLY 11 -16.185 -9.115 3.886 65 HA3 GLY 11 2HA GLY 11 -14.526 -8.733 3.447 66 H GLU 12 H GLU 12 -14.675 -11.203 4.044 67 HA GLU 12 HA GLU 12 -14.300 -11.604 6.915 68 HB2 GLU 12 1HB GLU 12 -14.605 -13.511 4.600 69 HB3 GLU 12 2HB GLU 12 -14.160 -14.048 6.213 70 HG2 GLU 12 1HG GLU 12 -16.699 -12.630 5.440 71 HG3 GLU 12 2HG GLU 12 -16.529 -14.336 5.848 72 H LEU 13 H LEU 13 -12.430 -12.583 7.776 73 HA LEU 13 HA LEU 13 -10.000 -11.620 6.863 74 HB2 LEU 13 1HB LEU 13 -10.832 -13.713 8.793 75 HB3 LEU 13 2HB LEU 13 -9.144 -13.701 8.286 76 HG LEU 13 HG LEU 13 -9.109 -11.259 9.012 77 HD11 LEU 13 1HD1 LEU 13 -10.900 -11.074 10.973 78 HD12 LEU 13 2HD1 LEU 13 -11.829 -12.070 9.853 79 HD13 LEU 13 3HD1 LEU 13 -11.219 -10.498 9.337 80 HD21 LEU 13 1HD2 LEU 13 -9.659 -12.942 11.391 81 HD22 LEU 13 2HD2 LEU 13 -8.293 -11.884 11.040 82 HD23 LEU 13 3HD2 LEU 13 -8.391 -13.477 10.288 83 H GLU 14 H GLU 14 -11.323 -14.907 6.508 84 HA GLU 14 HA GLU 14 -9.170 -15.928 5.004 85 HB2 GLU 14 1HB GLU 14 -12.056 -16.828 4.961 86 HB3 GLU 14 2HB GLU 14 -10.666 -17.766 4.434 87 HG2 GLU 14 1HG GLU 14 -11.045 -18.635 6.518 88 HG3 GLU 14 2HG GLU 14 -9.832 -17.404 6.866 89 H GLN 15 H GLN 15 -12.126 -14.258 4.089 90 HA GLN 15 HA GLN 15 -12.095 -14.738 1.343 91 HB2 GLN 15 1HB GLN 15 -13.166 -12.508 3.037 92 HB3 GLN 15 2HB GLN 15 -13.239 -12.394 1.284 93 HG2 GLN 15 1HG GLN 15 -14.266 -14.853 2.602 94 HG3 GLN 15 2HG GLN 15 -15.231 -13.380 2.669 95 HE21 GLN 15 1HE2 GLN 15 -13.619 -15.609 0.470 96 HE22 GLN 15 2HE2 GLN 15 -14.676 -15.340 -0.869 97 H MET 16 H MET 16 -10.472 -12.235 3.246 98 HA MET 16 HA MET 16 -9.488 -10.607 1.267 99 HB2 MET 16 1HB MET 16 -7.901 -11.493 3.679 100 HB3 MET 16 2HB MET 16 -7.720 -9.989 2.786 101 HG2 MET 16 1HG MET 16 -10.167 -9.554 3.460 102 HG3 MET 16 2HG MET 16 -9.896 -10.817 4.659 103 HE1 MET 16 1HE MET 16 -10.890 -8.857 5.919 104 HE2 MET 16 2HE MET 16 -9.834 -7.930 6.984 105 HE3 MET 16 3HE MET 16 -10.364 -7.241 5.448 106 H VAL 17 H VAL 17 -7.327 -10.472 0.311 107 HA VAL 17 HA VAL 17 -6.001 -13.060 -0.071 108 HB VAL 17 HB VAL 17 -5.858 -12.761 -2.472 109 HG11 VAL 17 1HG1 VAL 17 -7.974 -13.710 -1.203 110 HG12 VAL 17 2HG1 VAL 17 -8.762 -12.343 -1.994 111 HG13 VAL 17 3HG1 VAL 17 -7.937 -13.568 -2.960 112 HG21 VAL 17 1HG2 VAL 17 -5.992 -10.700 -3.301 113 HG22 VAL 17 2HG2 VAL 17 -7.740 -10.804 -3.093 114 HG23 VAL 17 3HG2 VAL 17 -6.742 -10.088 -1.827 115 H SER 18 H SER 18 -3.843 -12.929 -0.034 116 HA SER 18 HA SER 18 -2.624 -10.323 0.319 117 HB2 SER 18 1HB SER 18 -0.646 -11.530 1.002 118 HB3 SER 18 2HB SER 18 -2.044 -12.282 1.771 119 HG SER 18 HG SER 18 -1.898 -13.640 -0.331 120 H GLU 19 H GLU 19 -1.654 -9.205 -1.232 121 HA GLU 19 HA GLU 19 -0.692 -10.643 -3.615 122 HB2 GLU 19 1HB GLU 19 -2.453 -8.253 -3.404 123 HB3 GLU 19 2HB GLU 19 -1.272 -8.280 -4.706 124 HG2 GLU 19 1HG GLU 19 -3.560 -10.149 -4.217 125 HG3 GLU 19 2HG GLU 19 -3.227 -9.157 -5.635 126 H ASP 20 H ASP 20 1.017 -9.535 -4.801 127 HA ASP 20 HA ASP 20 2.721 -7.962 -2.988 128 HB2 ASP 20 1HB ASP 20 4.633 -8.838 -4.157 129 HB3 ASP 20 2HB ASP 20 3.589 -10.191 -3.728 130 H VAL 21 H VAL 21 3.485 -6.007 -3.596 131 HA VAL 21 HA VAL 21 2.869 -5.088 -6.327 132 HB VAL 21 HB VAL 21 2.791 -3.183 -4.019 133 HG11 VAL 21 1HG1 VAL 21 0.838 -2.616 -5.941 134 HG12 VAL 21 2HG1 VAL 21 2.377 -1.786 -5.699 135 HG13 VAL 21 3HG1 VAL 21 2.264 -3.121 -6.846 136 HG21 VAL 21 1HG2 VAL 21 1.282 -4.954 -3.349 137 HG22 VAL 21 2HG2 VAL 21 0.356 -3.538 -3.844 138 HG23 VAL 21 3HG2 VAL 21 0.499 -4.921 -4.929 139 HA PRO 22 HA PRO 22 7.254 -4.264 -6.221 140 HB2 PRO 22 1HB PRO 22 7.406 -3.315 -8.761 141 HB3 PRO 22 2HB PRO 22 7.297 -5.039 -8.384 142 HG2 PRO 22 1HG PRO 22 5.141 -3.148 -9.244 143 HG3 PRO 22 2HG PRO 22 5.449 -4.811 -9.777 144 HD2 PRO 22 1HD PRO 22 3.541 -4.194 -7.957 145 HD3 PRO 22 2HD PRO 22 4.436 -5.727 -7.921 146 H LEU 23 H LEU 23 7.495 -2.553 -4.825 147 HA LEU 23 HA LEU 23 7.006 0.128 -5.947 148 HB2 LEU 23 1HB LEU 23 5.568 -0.493 -4.002 149 HB3 LEU 23 2HB LEU 23 7.032 -0.624 -3.029 150 HG LEU 23 HG LEU 23 7.446 1.822 -3.623 151 HD11 LEU 23 1HD1 LEU 23 4.694 1.422 -4.706 152 HD12 LEU 23 2HD1 LEU 23 6.045 2.337 -5.376 153 HD13 LEU 23 3HD1 LEU 23 5.144 2.974 -4.000 154 HD21 LEU 23 1HD2 LEU 23 6.292 2.537 -1.735 155 HD22 LEU 23 2HD2 LEU 23 6.500 0.809 -1.452 156 HD23 LEU 23 3HD2 LEU 23 4.948 1.430 -2.016 157 H ASP 24 H ASP 24 8.757 1.320 -6.273 158 HA ASP 24 HA ASP 24 11.357 0.436 -5.796 159 HB2 ASP 24 1HB ASP 24 10.532 2.256 -7.413 160 HB3 ASP 24 2HB ASP 24 10.636 3.350 -6.036 161 H HIS 25 H HIS 25 12.591 0.387 -4.041 162 HA HIS 25 HA HIS 25 11.674 1.164 -1.506 163 HB2 HIS 25 1HB HIS 25 13.878 0.581 -0.697 164 HB3 HIS 25 2HB HIS 25 13.391 -0.589 -1.921 165 HD1 HIS 25 1HD HIS 25 14.590 -0.396 -4.265 166 HD2 HIS 25 2HD HIS 25 16.173 1.999 -1.262 167 HE1 HIS 25 1HE HIS 25 16.843 0.339 -5.108 168 H ARG 26 H ARG 26 13.072 2.994 -4.004 169 HA ARG 26 HA ARG 26 14.396 4.976 -2.463 170 HB2 ARG 26 1HB ARG 26 13.334 4.901 -5.278 171 HB3 ARG 26 2HB ARG 26 14.049 6.360 -4.606 172 HG2 ARG 26 1HG ARG 26 15.572 3.810 -4.439 173 HG3 ARG 26 2HG ARG 26 15.485 4.659 -5.984 174 HD2 ARG 26 1HD ARG 26 16.325 5.979 -3.411 175 HD3 ARG 26 2HD ARG 26 17.463 5.229 -4.530 176 HE ARG 26 HE ARG 26 15.722 7.194 -5.726 177 HH11 ARG 26 1HH1 ARG 26 18.755 6.611 -4.119 178 HH12 ARG 26 2HH1 ARG 26 19.511 8.037 -4.748 179 HH21 ARG 26 1HH2 ARG 26 16.707 9.075 -6.560 180 HH22 ARG 26 2HH2 ARG 26 18.346 9.438 -6.136 181 H VAL 27 H VAL 27 11.103 4.309 -3.057 182 HA VAL 27 HA VAL 27 10.347 6.975 -2.050 183 HB VAL 27 HB VAL 27 8.210 6.750 -3.163 184 HG11 VAL 27 1HG1 VAL 27 10.493 6.133 -5.036 185 HG12 VAL 27 2HG1 VAL 27 8.945 6.843 -5.497 186 HG13 VAL 27 3HG1 VAL 27 10.043 7.729 -4.438 187 HG21 VAL 27 1HG2 VAL 27 7.381 4.852 -4.045 188 HG22 VAL 27 2HG2 VAL 27 8.937 4.359 -4.714 189 HG23 VAL 27 3HG2 VAL 27 8.578 4.072 -3.012 190 H HIS 28 H HIS 28 10.515 3.714 -1.319 191 HA HIS 28 HA HIS 28 8.248 3.013 0.016 192 HB2 HIS 28 1HB HIS 28 11.133 2.436 0.448 193 HB3 HIS 28 2HB HIS 28 10.022 1.997 1.741 194 HD2 HIS 28 2HD HIS 28 8.826 1.517 -1.929 195 HE1 HIS 28 1HE HIS 28 9.661 -2.303 -0.284 196 HE2 HIS 28 2HE HIS 28 8.768 -1.046 -2.275 197 H ALA 29 H ALA 29 11.021 4.445 1.743 198 HA ALA 29 HA ALA 29 9.711 5.033 4.103 199 HB1 ALA 29 1HB ALA 29 12.249 5.410 3.124 200 HB2 ALA 29 2HB ALA 29 11.678 7.059 3.384 201 HB3 ALA 29 3HB ALA 29 11.673 5.904 4.717 202 H ARG 30 H ARG 30 10.256 7.232 1.347 203 HA ARG 30 HA ARG 30 9.095 9.520 2.205 204 HB2 ARG 30 1HB ARG 30 8.689 8.262 -0.516 205 HB3 ARG 30 2HB ARG 30 8.419 9.956 -0.129 206 HG2 ARG 30 1HG ARG 30 11.083 8.625 0.246 207 HG3 ARG 30 2HG ARG 30 10.598 9.381 -1.273 208 HD2 ARG 30 1HD ARG 30 10.331 10.934 1.254 209 HD3 ARG 30 2HD ARG 30 11.936 10.722 0.556 210 HE ARG 30 HE ARG 30 10.533 11.583 -1.554 211 HH11 ARG 30 1HH1 ARG 30 10.736 12.750 1.720 212 HH12 ARG 30 2HH1 ARG 30 10.438 14.401 1.288 213 HH21 ARG 30 1HH2 ARG 30 10.140 13.754 -2.135 214 HH22 ARG 30 2HH2 ARG 30 10.098 14.971 -0.905 215 H ILE 31 H ILE 31 7.366 6.690 0.946 216 HA ILE 31 HA ILE 31 4.780 7.869 1.267 217 HB ILE 31 HB ILE 31 5.699 5.057 0.721 218 HG12 ILE 31 1HG1 ILE 31 3.949 6.839 -0.964 219 HG13 ILE 31 2HG1 ILE 31 5.705 6.933 -1.034 220 HG21 ILE 31 1HG2 ILE 31 3.024 4.991 0.229 221 HG22 ILE 31 2HG2 ILE 31 3.797 4.360 1.682 222 HG23 ILE 31 3HG2 ILE 31 3.092 5.977 1.689 223 HD11 ILE 31 1HD1 ILE 31 5.908 4.854 -2.003 224 HD12 ILE 31 2HD1 ILE 31 4.335 4.312 -1.415 225 HD13 ILE 31 3HD1 ILE 31 4.430 5.472 -2.740 226 H ILE 32 H ILE 32 6.513 5.285 3.008 227 HA ILE 32 HA ILE 32 4.749 4.612 4.945 228 HB ILE 32 HB ILE 32 7.709 5.091 5.289 229 HG12 ILE 32 1HG1 ILE 32 6.300 2.442 5.092 230 HG13 ILE 32 2HG1 ILE 32 6.749 3.334 3.642 231 HG21 ILE 32 1HG2 ILE 32 6.606 5.172 7.460 232 HG22 ILE 32 2HG2 ILE 32 5.806 3.638 7.121 233 HG23 ILE 32 3HG2 ILE 32 7.560 3.698 7.294 234 HD11 ILE 32 1HD1 ILE 32 8.318 1.511 4.812 235 HD12 ILE 32 2HD1 ILE 32 8.938 2.876 3.884 236 HD13 ILE 32 3HD1 ILE 32 8.876 2.962 5.644 237 H GLY 33 H GLY 33 6.998 7.374 5.173 238 HA2 GLY 33 1HA GLY 33 6.465 9.482 6.076 239 HA3 GLY 33 2HA GLY 33 5.030 8.781 6.809 240 H ALA 34 H ALA 34 7.640 10.309 7.682 241 HA ALA 34 HA ALA 34 9.233 8.956 9.376 242 HB1 ALA 34 1HB ALA 34 9.433 11.334 9.140 243 HB2 ALA 34 2HB ALA 34 7.875 11.589 9.927 244 HB3 ALA 34 3HB ALA 34 9.236 10.956 10.851 245 H ARG 35 H ARG 35 6.103 10.304 10.447 246 HA ARG 35 HA ARG 35 6.129 8.811 12.880 247 HB2 ARG 35 1HB ARG 35 4.978 11.015 12.566 248 HB3 ARG 35 2HB ARG 35 3.782 10.192 11.574 249 HG2 ARG 35 1HG ARG 35 2.788 10.344 13.673 250 HG3 ARG 35 2HG ARG 35 3.396 8.689 13.604 251 HD2 ARG 35 1HD ARG 35 5.518 9.726 14.713 252 HD3 ARG 35 2HD ARG 35 4.414 11.025 15.165 253 HE ARG 35 HE ARG 35 3.409 9.613 16.674 254 HH11 ARG 35 1HH1 ARG 35 5.502 7.788 14.575 255 HH12 ARG 35 2HH1 ARG 35 5.386 6.333 15.509 256 HH21 ARG 35 1HH2 ARG 35 3.249 7.704 17.913 257 HH22 ARG 35 2HH2 ARG 35 4.104 6.286 17.407 258 H GLY 36 H GLY 36 5.030 8.207 9.664 259 HA2 GLY 36 1HA GLY 36 4.461 6.095 8.817 260 HA3 GLY 36 2HA GLY 36 4.206 5.529 10.461 261 H LYS 37 H LYS 37 2.759 8.508 9.453 262 HA LYS 37 HA LYS 37 0.121 7.298 9.751 263 HB2 LYS 37 1HB LYS 37 0.879 9.470 10.902 264 HB3 LYS 37 2HB LYS 37 0.688 10.224 9.324 265 HG2 LYS 37 1HG LYS 37 -1.361 10.657 10.196 266 HG3 LYS 37 2HG LYS 37 -1.692 9.085 9.463 267 HD2 LYS 37 1HD LYS 37 -2.569 8.784 11.569 268 HD3 LYS 37 2HD LYS 37 -0.927 8.176 11.799 269 HE2 LYS 37 1HE LYS 37 -1.289 9.569 13.640 270 HE3 LYS 37 2HE LYS 37 -0.348 10.561 12.527 271 HZ1 LYS 37 1HZ LYS 37 -2.202 11.789 13.480 272 HZ2 LYS 37 2HZ LYS 37 -3.299 10.667 12.850 273 HZ3 LYS 37 3HZ LYS 37 -2.382 11.632 11.806 274 H ALA 38 H ALA 38 2.166 8.765 7.337 275 HA ALA 38 HA ALA 38 0.287 9.370 5.369 276 HB1 ALA 38 1HB ALA 38 2.490 10.155 5.065 277 HB2 ALA 38 2HB ALA 38 3.167 8.530 5.181 278 HB3 ALA 38 3HB ALA 38 2.213 8.990 3.770 279 H ILE 39 H ILE 39 1.746 6.310 6.272 280 HA ILE 39 HA ILE 39 0.593 4.921 4.003 281 HB ILE 39 HB ILE 39 2.787 4.223 4.837 282 HG12 ILE 39 1HG1 ILE 39 2.380 1.833 4.871 283 HG13 ILE 39 2HG1 ILE 39 0.707 2.088 5.354 284 HG21 ILE 39 1HG2 ILE 39 1.638 4.550 7.346 285 HG22 ILE 39 2HG2 ILE 39 1.898 2.813 7.196 286 HG23 ILE 39 3HG2 ILE 39 3.250 3.928 6.993 287 HD11 ILE 39 1HD1 ILE 39 0.105 2.889 3.246 288 HD12 ILE 39 2HD1 ILE 39 1.783 3.158 2.772 289 HD13 ILE 39 3HD1 ILE 39 1.161 1.514 2.922 290 H ARG 40 H ARG 40 -0.212 5.628 7.282 291 HA ARG 40 HA ARG 40 -1.997 3.480 7.761 292 HB2 ARG 40 1HB ARG 40 -0.969 5.061 9.476 293 HB3 ARG 40 2HB ARG 40 -2.191 6.227 8.988 294 HG2 ARG 40 1HG ARG 40 -3.205 5.268 10.797 295 HG3 ARG 40 2HG ARG 40 -3.839 4.260 9.494 296 HD2 ARG 40 1HD ARG 40 -2.439 2.478 10.026 297 HD3 ARG 40 2HD ARG 40 -1.323 3.501 10.929 298 HE ARG 40 HE ARG 40 -2.673 3.302 12.786 299 HH11 ARG 40 1HH1 ARG 40 -4.296 2.013 9.989 300 HH12 ARG 40 2HH1 ARG 40 -5.572 1.281 10.905 301 HH21 ARG 40 1HH2 ARG 40 -4.347 2.343 14.003 302 HH22 ARG 40 2HH2 ARG 40 -5.600 1.471 13.188 303 H LYS 41 H LYS 41 -2.530 6.833 6.698 304 HA LYS 41 HA LYS 41 -5.289 6.799 6.496 305 HB2 LYS 41 1HB LYS 41 -5.109 8.714 5.150 306 HB3 LYS 41 2HB LYS 41 -3.662 8.749 6.149 307 HG2 LYS 41 1HG LYS 41 -2.366 7.811 4.296 308 HG3 LYS 41 2HG LYS 41 -3.820 7.800 3.294 309 HD2 LYS 41 1HD LYS 41 -3.984 10.243 3.540 310 HD3 LYS 41 2HD LYS 41 -2.502 10.235 4.498 311 HE2 LYS 41 1HE LYS 41 -1.248 9.384 2.610 312 HE3 LYS 41 2HE LYS 41 -2.723 9.259 1.652 313 HZ1 LYS 41 1HZ LYS 41 -2.454 11.348 1.020 314 HZ2 LYS 41 2HZ LYS 41 -1.027 11.460 1.920 315 HZ3 LYS 41 3HZ LYS 41 -2.506 11.879 2.626 316 H ILE 42 H ILE 42 -2.875 5.727 4.141 317 HA ILE 42 HA ILE 42 -4.647 5.166 2.033 318 HB ILE 42 HB ILE 42 -1.942 4.029 2.714 319 HG12 ILE 42 1HG1 ILE 42 -2.879 5.953 0.575 320 HG13 ILE 42 2HG1 ILE 42 -2.016 6.393 2.044 321 HG21 ILE 42 1HG2 ILE 42 -3.543 3.552 0.204 322 HG22 ILE 42 2HG2 ILE 42 -1.896 3.004 0.513 323 HG23 ILE 42 3HG2 ILE 42 -3.234 2.357 1.464 324 HD11 ILE 42 1HD1 ILE 42 -0.950 4.686 -0.192 325 HD12 ILE 42 2HD1 ILE 42 -0.525 6.366 0.140 326 HD13 ILE 42 3HD1 ILE 42 -0.085 5.102 1.287 327 H MET 43 H MET 43 -3.312 3.048 4.563 328 HA MET 43 HA MET 43 -4.510 0.668 3.780 329 HB2 MET 43 1HB MET 43 -3.563 1.751 6.401 330 HB3 MET 43 2HB MET 43 -4.465 0.241 6.379 331 HG2 MET 43 1HG MET 43 -2.787 -0.551 4.642 332 HG3 MET 43 2HG MET 43 -1.825 0.853 5.100 333 HE1 MET 43 1HE MET 43 -0.603 0.329 8.504 334 HE2 MET 43 2HE MET 43 0.317 0.100 7.016 335 HE3 MET 43 3HE MET 43 -0.903 1.371 7.113 336 H ASP 44 H ASP 44 -5.745 3.158 5.996 337 HA ASP 44 HA ASP 44 -8.197 1.849 6.535 338 HB2 ASP 44 1HB ASP 44 -7.260 4.694 6.842 339 HB3 ASP 44 2HB ASP 44 -8.912 4.222 7.232 340 H GLU 45 H GLU 45 -7.167 4.123 4.066 341 HA GLU 45 HA GLU 45 -9.598 4.963 3.058 342 HB2 GLU 45 1HB GLU 45 -7.320 5.734 2.330 343 HB3 GLU 45 2HB GLU 45 -7.185 4.259 1.383 344 HG2 GLU 45 1HG GLU 45 -7.864 5.886 -0.140 345 HG3 GLU 45 2HG GLU 45 -9.332 4.986 0.234 346 H PHE 46 H PHE 46 -7.688 2.195 1.862 347 HA PHE 46 HA PHE 46 -10.096 1.143 0.576 348 HB2 PHE 46 1HB PHE 46 -7.298 0.033 0.361 349 HB3 PHE 46 2HB PHE 46 -8.657 -0.244 -0.723 350 HD1 PHE 46 2HD PHE 46 -9.404 1.539 -2.250 351 HD2 PHE 46 1HD PHE 46 -5.917 1.953 0.155 352 HE1 PHE 46 2HE PHE 46 -8.653 3.404 -3.667 353 HE2 PHE 46 1HE PHE 46 -5.160 3.820 -1.259 354 HZ PHE 46 HZ PHE 46 -6.527 4.547 -3.173 355 H LYS 47 H LYS 47 -8.993 1.007 3.543 356 HA LYS 47 HA LYS 47 -9.075 -0.458 5.285 357 HB2 LYS 47 1HB LYS 47 -10.993 -2.095 3.645 358 HB3 LYS 47 2HB LYS 47 -10.967 -1.859 5.387 359 HG2 LYS 47 1HG LYS 47 -11.416 0.494 3.619 360 HG3 LYS 47 2HG LYS 47 -12.735 -0.646 3.893 361 HD2 LYS 47 1HD LYS 47 -11.175 0.516 6.178 362 HD3 LYS 47 2HD LYS 47 -12.534 1.384 5.460 363 HE2 LYS 47 1HE LYS 47 -12.925 -1.463 6.225 364 HE3 LYS 47 2HE LYS 47 -12.850 -0.260 7.511 365 HZ1 LYS 47 1HZ LYS 47 -15.122 -0.754 6.629 366 HZ2 LYS 47 2HZ LYS 47 -14.661 -0.018 5.178 367 HZ3 LYS 47 3HZ LYS 47 -14.693 0.882 6.609 368 H VAL 48 H VAL 48 -6.938 -0.906 3.580 369 HA VAL 48 HA VAL 48 -6.742 -3.846 3.519 370 HB VAL 48 HB VAL 48 -4.896 -3.534 1.885 371 HG11 VAL 48 1HG1 VAL 48 -7.710 -3.118 1.467 372 HG12 VAL 48 2HG1 VAL 48 -6.771 -2.250 0.251 373 HG13 VAL 48 3HG1 VAL 48 -6.546 -3.986 0.467 374 HG21 VAL 48 1HG2 VAL 48 -5.816 -0.693 1.587 375 HG22 VAL 48 2HG2 VAL 48 -4.492 -1.126 2.670 376 HG23 VAL 48 3HG2 VAL 48 -4.364 -1.460 0.943 377 H ASP 49 H ASP 49 -4.298 -4.512 3.638 378 HA ASP 49 HA ASP 49 -3.022 -2.999 5.819 379 HB2 ASP 49 1HB ASP 49 -4.208 -5.302 6.341 380 HB3 ASP 49 2HB ASP 49 -2.720 -5.969 5.674 381 H ILE 50 H ILE 50 -1.446 -2.018 4.638 382 HA ILE 50 HA ILE 50 0.110 -3.487 2.698 383 HB ILE 50 HB ILE 50 0.486 -0.686 3.763 384 HG12 ILE 50 1HG1 ILE 50 -0.695 -1.592 1.131 385 HG13 ILE 50 2HG1 ILE 50 -1.656 -1.124 2.530 386 HG21 ILE 50 1HG2 ILE 50 1.574 -1.207 1.143 387 HG22 ILE 50 2HG2 ILE 50 2.356 -0.531 2.571 388 HG23 ILE 50 3HG2 ILE 50 2.281 -2.279 2.352 389 HD11 ILE 50 1HD1 ILE 50 -1.423 0.659 0.843 390 HD12 ILE 50 2HD1 ILE 50 -0.800 1.115 2.429 391 HD13 ILE 50 3HD1 ILE 50 0.315 0.670 1.137 392 H ARG 51 H ARG 51 2.028 -4.438 3.005 393 HA ARG 51 HA ARG 51 3.415 -3.966 5.561 394 HB2 ARG 51 1HB ARG 51 2.181 -6.233 5.194 395 HB3 ARG 51 2HB ARG 51 3.541 -6.606 4.145 396 HG2 ARG 51 1HG ARG 51 4.209 -7.509 6.153 397 HG3 ARG 51 2HG ARG 51 4.982 -5.923 6.186 398 HD2 ARG 51 1HD ARG 51 3.090 -5.066 7.520 399 HD3 ARG 51 2HD ARG 51 2.395 -6.686 7.536 400 HE ARG 51 HE ARG 51 4.978 -6.905 8.520 401 HH11 ARG 51 1HH1 ARG 51 2.004 -5.320 9.394 402 HH12 ARG 51 2HH1 ARG 51 2.326 -5.368 11.096 403 HH21 ARG 51 1HH2 ARG 51 5.413 -6.975 10.758 404 HH22 ARG 51 2HH2 ARG 51 4.266 -6.309 11.871 405 H PHE 52 H PHE 52 5.390 -3.176 5.316 406 HA PHE 52 HA PHE 52 6.659 -3.246 2.703 407 HB2 PHE 52 1HB PHE 52 7.177 -1.752 5.257 408 HB3 PHE 52 2HB PHE 52 8.405 -1.816 3.996 409 HD1 PHE 52 1HD PHE 52 7.832 -0.947 1.706 410 HD2 PHE 52 2HD PHE 52 5.368 -0.275 5.111 411 HE1 PHE 52 1HE PHE 52 6.733 0.920 0.538 412 HE2 PHE 52 2HE PHE 52 4.265 1.592 3.949 413 HZ PHE 52 HZ PHE 52 4.947 2.191 1.659 414 HA PRO 53 HA PRO 53 9.540 -6.451 3.530 415 HB2 PRO 53 1HB PRO 53 11.715 -5.578 2.159 416 HB3 PRO 53 2HB PRO 53 10.263 -6.199 1.364 417 HG2 PRO 53 1HG PRO 53 11.099 -3.363 1.835 418 HG3 PRO 53 2HG PRO 53 10.396 -4.095 0.381 419 HD2 PRO 53 1HD PRO 53 8.931 -2.645 2.136 420 HD3 PRO 53 2HD PRO 53 8.252 -4.006 1.221 421 H GLN 54 H GLN 54 10.378 -6.731 5.501 422 HA GLN 54 HA GLN 54 11.723 -4.649 6.926 423 HB2 GLN 54 1HB GLN 54 11.431 -7.593 7.542 424 HB3 GLN 54 2HB GLN 54 12.087 -6.396 8.651 425 HG2 GLN 54 1HG GLN 54 9.349 -6.070 7.495 426 HG3 GLN 54 2HG GLN 54 9.627 -7.111 8.889 427 HE21 GLN 54 1HE2 GLN 54 8.179 -5.611 9.964 428 HE22 GLN 54 2HE2 GLN 54 8.819 -4.149 10.624 429 H SER 55 H SER 55 13.858 -5.455 8.132 430 HA SER 55 HA SER 55 15.906 -5.368 6.224 431 HB2 SER 55 1HB SER 55 15.965 -6.151 9.144 432 HB3 SER 55 2HB SER 55 17.413 -5.930 8.163 433 HG SER 55 HG SER 55 15.508 -3.883 8.203 434 H GLY 56 H GLY 56 14.048 -7.992 7.349 435 HA2 GLY 56 1HA GLY 56 16.047 -9.920 6.349 436 HA3 GLY 56 2HA GLY 56 14.770 -10.306 7.493 437 H ALA 57 H ALA 57 13.886 -8.261 4.892 438 HA ALA 57 HA ALA 57 12.190 -10.355 3.809 439 HB1 ALA 57 1HB ALA 57 12.369 -7.453 3.010 440 HB2 ALA 57 2HB ALA 57 11.098 -8.596 2.572 441 HB3 ALA 57 3HB ALA 57 11.293 -8.095 4.252 442 HA PRO 58 HA PRO 58 14.794 -11.348 0.400 443 HB2 PRO 58 1HB PRO 58 12.918 -12.322 -1.303 444 HB3 PRO 58 2HB PRO 58 13.470 -13.206 0.125 445 HG2 PRO 58 1HG PRO 58 11.001 -11.553 -0.243 446 HG3 PRO 58 2HG PRO 58 11.187 -13.125 0.556 447 HD2 PRO 58 1HD PRO 58 11.034 -10.800 1.934 448 HD3 PRO 58 2HD PRO 58 11.991 -12.184 2.500 449 H ASP 59 H ASP 59 11.833 -9.509 -0.246 450 HA ASP 59 HA ASP 59 13.230 -8.170 -2.468 451 HB2 ASP 59 1HB ASP 59 10.336 -8.874 -2.069 452 HB3 ASP 59 2HB ASP 59 10.798 -7.561 -3.148 453 HA PRO 60 HA PRO 60 12.887 -4.898 0.691 454 HB2 PRO 60 1HB PRO 60 15.021 -3.499 -0.236 455 HB3 PRO 60 2HB PRO 60 15.179 -4.883 0.852 456 HG2 PRO 60 1HG PRO 60 15.518 -4.761 -2.120 457 HG3 PRO 60 2HG PRO 60 16.510 -5.601 -0.914 458 HD2 PRO 60 1HD PRO 60 14.663 -6.879 -2.427 459 HD3 PRO 60 2HD PRO 60 15.051 -7.380 -0.769 460 H ASN 61 H ASN 61 12.394 -5.057 -2.619 461 HA ASN 61 HA ASN 61 11.563 -2.231 -2.723 462 HB2 ASN 61 1HB ASN 61 11.725 -2.803 -5.324 463 HB3 ASN 61 2HB ASN 61 13.118 -2.244 -4.404 464 HD21 ASN 61 1HD2 ASN 61 14.885 -3.436 -4.468 465 HD22 ASN 61 2HD2 ASN 61 14.979 -5.076 -5.002 466 H CYS 62 H CYS 62 10.235 -4.962 -2.038 467 HA CYS 62 HA CYS 62 7.837 -4.484 -3.677 468 HB2 CYS 62 1HB CYS 62 9.178 -6.614 -4.228 469 HB3 CYS 62 2HB CYS 62 8.600 -7.221 -2.681 470 HG CYS 62 HG CYS 62 6.489 -8.232 -3.717 471 H VAL 63 H VAL 63 5.856 -4.681 -2.646 472 HA VAL 63 HA VAL 63 5.978 -4.977 0.285 473 HB VAL 63 HB VAL 63 4.206 -3.350 0.510 474 HG11 VAL 63 1HG1 VAL 63 5.579 -1.492 -1.024 475 HG12 VAL 63 2HG1 VAL 63 5.922 -1.935 0.650 476 HG13 VAL 63 3HG1 VAL 63 6.779 -2.734 -0.668 477 HG21 VAL 63 1HG2 VAL 63 2.844 -2.728 -1.142 478 HG22 VAL 63 2HG2 VAL 63 4.193 -2.333 -2.208 479 HG23 VAL 63 3HG2 VAL 63 3.599 -3.991 -2.113 480 H THR 64 H THR 64 4.052 -5.792 1.312 481 HA THR 64 HA THR 64 2.470 -7.525 -0.473 482 HB THR 64 HB THR 64 3.275 -8.006 2.402 483 HG1 THR 64 1HG THR 64 4.301 -9.870 1.326 484 HG21 THR 64 1HG2 THR 64 2.181 -10.322 1.207 485 HG22 THR 64 2HG2 THR 64 1.045 -9.004 0.918 486 HG23 THR 64 3HG2 THR 64 1.542 -9.395 2.564 487 H VAL 65 H VAL 65 0.526 -6.632 -0.751 488 HA VAL 65 HA VAL 65 -0.741 -5.180 1.445 489 HB VAL 65 HB VAL 65 -1.699 -5.499 -1.402 490 HG11 VAL 65 1HG1 VAL 65 -3.103 -3.549 -0.873 491 HG12 VAL 65 2HG1 VAL 65 -3.483 -4.940 0.145 492 HG13 VAL 65 3HG1 VAL 65 -2.531 -3.605 0.794 493 HG21 VAL 65 1HG2 VAL 65 -0.223 -3.180 -0.159 494 HG22 VAL 65 2HG2 VAL 65 0.493 -4.363 -1.254 495 HG23 VAL 65 3HG2 VAL 65 -0.792 -3.298 -1.824 496 H THR 66 H THR 66 -2.591 -5.815 2.447 497 HA THR 66 HA THR 66 -3.640 -8.471 1.715 498 HB THR 66 HB THR 66 -3.768 -7.231 4.465 499 HG1 THR 66 1HG THR 66 -1.573 -7.690 3.708 500 HG21 THR 66 1HG2 THR 66 -4.170 -10.059 3.479 501 HG22 THR 66 2HG2 THR 66 -5.433 -8.958 4.030 502 HG23 THR 66 3HG2 THR 66 -4.219 -9.546 5.165 503 H GLY 67 H GLY 67 -5.868 -8.815 1.757 504 HA2 GLY 67 1HA GLY 67 -8.012 -7.666 2.620 505 HA3 GLY 67 2HA GLY 67 -7.454 -6.340 1.611 506 H LEU 68 H LEU 68 -9.871 -7.169 1.017 507 HA LEU 68 HA LEU 68 -10.226 -9.370 -0.636 508 HB2 LEU 68 1HB LEU 68 -11.573 -6.698 -0.491 509 HB3 LEU 68 2HB LEU 68 -12.052 -7.890 -1.698 510 HG LEU 68 HG LEU 68 -13.565 -8.002 0.161 511 HD11 LEU 68 1HD1 LEU 68 -12.762 -10.114 -0.963 512 HD12 LEU 68 2HD1 LEU 68 -13.462 -10.313 0.643 513 HD13 LEU 68 3HD1 LEU 68 -11.711 -10.355 0.433 514 HD21 LEU 68 1HD2 LEU 68 -12.136 -7.008 1.867 515 HD22 LEU 68 2HD2 LEU 68 -11.126 -8.453 1.880 516 HD23 LEU 68 3HD2 LEU 68 -12.802 -8.544 2.422 517 HA PRO 69 HA PRO 69 -8.159 -8.493 -4.409 518 HB2 PRO 69 1HB PRO 69 -9.819 -9.678 -6.201 519 HB3 PRO 69 2HB PRO 69 -8.784 -10.593 -5.099 520 HG2 PRO 69 1HG PRO 69 -11.697 -9.947 -4.864 521 HG3 PRO 69 2HG PRO 69 -10.859 -11.475 -4.532 522 HD2 PRO 69 1HD PRO 69 -11.595 -9.760 -2.569 523 HD3 PRO 69 2HD PRO 69 -10.144 -10.776 -2.455 524 H GLU 70 H GLU 70 -11.295 -7.280 -3.777 525 HA GLU 70 HA GLU 70 -11.449 -5.750 -6.246 526 HB2 GLU 70 1HB GLU 70 -13.601 -4.966 -5.394 527 HB3 GLU 70 2HB GLU 70 -13.502 -6.720 -5.326 528 HG2 GLU 70 1HG GLU 70 -12.753 -6.356 -2.886 529 HG3 GLU 70 2HG GLU 70 -13.429 -4.741 -3.089 530 H ASN 71 H ASN 71 -10.654 -5.307 -2.873 531 HA ASN 71 HA ASN 71 -10.515 -2.415 -3.145 532 HB2 ASN 71 1HB ASN 71 -10.094 -4.310 -0.839 533 HB3 ASN 71 2HB ASN 71 -9.700 -2.598 -0.721 534 HD21 ASN 71 1HD2 ASN 71 -11.879 -4.616 0.281 535 HD22 ASN 71 2HD2 ASN 71 -13.325 -3.678 0.157 536 H VAL 72 H VAL 72 -8.335 -5.157 -2.624 537 HA VAL 72 HA VAL 72 -5.944 -3.795 -2.288 538 HB VAL 72 HB VAL 72 -6.422 -6.438 -3.670 539 HG11 VAL 72 1HG1 VAL 72 -3.832 -6.122 -2.432 540 HG12 VAL 72 2HG1 VAL 72 -4.241 -6.630 -4.072 541 HG13 VAL 72 3HG1 VAL 72 -4.092 -4.914 -3.691 542 HG21 VAL 72 1HG2 VAL 72 -5.212 -6.332 -0.994 543 HG22 VAL 72 2HG2 VAL 72 -6.894 -5.809 -1.075 544 HG23 VAL 72 3HG2 VAL 72 -6.443 -7.416 -1.643 545 H GLU 73 H GLU 73 -7.411 -4.950 -5.320 546 HA GLU 73 HA GLU 73 -5.460 -4.138 -7.097 547 HB2 GLU 73 1HB GLU 73 -7.187 -4.119 -8.802 548 HB3 GLU 73 2HB GLU 73 -7.440 -5.476 -7.715 549 HG2 GLU 73 1HG GLU 73 -9.167 -4.189 -6.536 550 HG3 GLU 73 2HG GLU 73 -8.935 -2.865 -7.677 551 H GLU 74 H GLU 74 -8.097 -2.247 -5.694 552 HA GLU 74 HA GLU 74 -7.638 0.101 -7.206 553 HB2 GLU 74 1HB GLU 74 -9.156 -0.579 -4.734 554 HB3 GLU 74 2HB GLU 74 -8.816 1.117 -5.047 555 HG2 GLU 74 1HG GLU 74 -10.067 -0.638 -7.126 556 HG3 GLU 74 2HG GLU 74 -11.029 0.157 -5.882 557 H ALA 75 H ALA 75 -6.652 -0.834 -3.918 558 HA ALA 75 HA ALA 75 -5.306 1.457 -3.172 559 HB1 ALA 75 1HB ALA 75 -5.770 -0.752 -1.881 560 HB2 ALA 75 2HB ALA 75 -4.172 -1.215 -2.468 561 HB3 ALA 75 3HB ALA 75 -4.361 0.224 -1.466 562 H ILE 76 H ILE 76 -3.906 -1.408 -4.770 563 HA ILE 76 HA ILE 76 -1.307 -0.680 -5.032 564 HB ILE 76 HB ILE 76 -3.017 -1.973 -7.158 565 HG12 ILE 76 1HG1 ILE 76 -1.120 -3.240 -5.175 566 HG13 ILE 76 2HG1 ILE 76 -2.854 -3.100 -4.908 567 HG21 ILE 76 1HG2 ILE 76 -1.246 -1.649 -8.486 568 HG22 ILE 76 2HG2 ILE 76 -0.202 -1.202 -7.138 569 HG23 ILE 76 3HG2 ILE 76 -0.469 -2.903 -7.519 570 HD11 ILE 76 1HD1 ILE 76 -3.343 -4.569 -6.679 571 HD12 ILE 76 2HD1 ILE 76 -1.695 -4.486 -7.302 572 HD13 ILE 76 3HD1 ILE 76 -2.022 -5.312 -5.779 573 H ASP 77 H ASP 77 -3.845 0.168 -7.391 574 HA ASP 77 HA ASP 77 -2.373 1.709 -9.120 575 HB2 ASP 77 1HB ASP 77 -4.882 1.070 -9.176 576 HB3 ASP 77 2HB ASP 77 -5.130 2.568 -8.283 577 H HIS 78 H HIS 78 -3.638 2.589 -5.964 578 HA HIS 78 HA HIS 78 -3.021 5.369 -6.183 579 HB2 HIS 78 1HB HIS 78 -4.739 4.575 -4.633 580 HB3 HIS 78 2HB HIS 78 -3.530 3.659 -3.739 581 HD1 HIS 78 1HD HIS 78 -5.193 6.867 -3.805 582 HD2 HIS 78 2HD HIS 78 -1.520 5.435 -2.495 583 HE1 HIS 78 1HE HIS 78 -4.315 8.615 -2.225 584 H ILE 79 H ILE 79 -1.369 2.545 -4.871 585 HA ILE 79 HA ILE 79 0.748 3.915 -3.609 586 HB ILE 79 HB ILE 79 0.793 1.137 -4.793 587 HG12 ILE 79 1HG1 ILE 79 0.007 2.119 -2.043 588 HG13 ILE 79 2HG1 ILE 79 -1.043 1.343 -3.224 589 HG21 ILE 79 1HG2 ILE 79 2.750 0.741 -3.695 590 HG22 ILE 79 2HG2 ILE 79 2.950 2.462 -4.021 591 HG23 ILE 79 3HG2 ILE 79 2.410 1.924 -2.431 592 HD11 ILE 79 1HD1 ILE 79 1.111 0.141 -1.539 593 HD12 ILE 79 2HD1 ILE 79 -0.573 -0.352 -1.726 594 HD13 ILE 79 3HD1 ILE 79 0.581 -0.644 -3.027 595 H LEU 80 H LEU 80 0.791 2.126 -6.700 596 HA LEU 80 HA LEU 80 3.301 2.945 -7.550 597 HB2 LEU 80 1HB LEU 80 0.853 1.943 -8.893 598 HB3 LEU 80 2HB LEU 80 2.096 2.672 -9.908 599 HG LEU 80 HG LEU 80 2.634 0.389 -8.017 600 HD11 LEU 80 1HD1 LEU 80 1.671 -1.013 -9.435 601 HD12 LEU 80 2HD1 LEU 80 2.709 -0.424 -10.733 602 HD13 LEU 80 3HD1 LEU 80 1.150 0.344 -10.435 603 HD21 LEU 80 1HD2 LEU 80 4.745 0.396 -8.798 604 HD22 LEU 80 2HD2 LEU 80 4.391 2.081 -9.179 605 HD23 LEU 80 3HD2 LEU 80 4.254 0.846 -10.431 606 H ASN 81 H ASN 81 0.192 4.561 -7.823 607 HA ASN 81 HA ASN 81 0.796 6.533 -9.672 608 HB2 ASN 81 1HB ASN 81 -1.444 6.465 -9.038 609 HB3 ASN 81 2HB ASN 81 -1.061 6.423 -7.320 610 HD21 ASN 81 1HD2 ASN 81 -2.602 8.107 -7.056 611 HD22 ASN 81 2HD2 ASN 81 -2.181 9.744 -7.415 612 H LEU 82 H LEU 82 1.321 6.547 -6.161 613 HA LEU 82 HA LEU 82 2.464 9.153 -6.101 614 HB2 LEU 82 1HB LEU 82 2.795 6.919 -4.107 615 HB3 LEU 82 2HB LEU 82 3.085 8.634 -3.825 616 HG LEU 82 HG LEU 82 0.398 7.377 -4.382 617 HD11 LEU 82 1HD1 LEU 82 1.907 7.926 -1.913 618 HD12 LEU 82 2HD1 LEU 82 0.637 6.746 -2.233 619 HD13 LEU 82 3HD1 LEU 82 0.216 8.429 -1.913 620 HD21 LEU 82 1HD2 LEU 82 0.698 9.722 -5.187 621 HD22 LEU 82 2HD2 LEU 82 1.046 10.192 -3.523 622 HD23 LEU 82 3HD2 LEU 82 -0.536 9.531 -3.941 623 H GLU 83 H GLU 83 3.792 5.884 -6.271 624 HA GLU 83 HA GLU 83 6.430 6.199 -5.814 625 HB2 GLU 83 1HB GLU 83 5.239 4.125 -6.656 626 HB3 GLU 83 2HB GLU 83 5.433 4.772 -8.279 627 HG2 GLU 83 1HG GLU 83 7.960 4.932 -7.519 628 HG3 GLU 83 2HG GLU 83 7.454 3.643 -6.429 629 H GLU 84 H GLU 84 4.911 6.865 -8.972 630 HA GLU 84 HA GLU 84 7.199 7.874 -10.226 631 HB2 GLU 84 1HB GLU 84 5.269 7.250 -11.527 632 HB3 GLU 84 2HB GLU 84 4.275 8.450 -10.714 633 HG2 GLU 84 1HG GLU 84 5.863 10.187 -11.675 634 HG3 GLU 84 2HG GLU 84 6.475 8.892 -12.702 635 H GLU 85 H GLU 85 4.674 9.509 -8.361 636 HA GLU 85 HA GLU 85 5.500 12.145 -8.802 637 HB2 GLU 85 1HB GLU 85 3.382 11.878 -7.823 638 HB3 GLU 85 2HB GLU 85 3.997 10.810 -6.569 639 HG2 GLU 85 1HG GLU 85 3.408 12.989 -5.671 640 HG3 GLU 85 2HG GLU 85 5.136 12.676 -5.510 641 H TYR 86 H TYR 86 6.184 10.070 -5.980 642 HA TYR 86 HA TYR 86 7.928 11.761 -4.660 643 HB2 TYR 86 1HB TYR 86 7.656 8.776 -4.755 644 HB3 TYR 86 2HB TYR 86 8.974 9.507 -3.848 645 HD1 TYR 86 2HD TYR 86 8.249 11.398 -2.164 646 HD2 TYR 86 1HD TYR 86 5.637 8.404 -3.687 647 HE1 TYR 86 2HE TYR 86 6.743 11.746 -0.251 648 HE2 TYR 86 1HE TYR 86 4.124 8.745 -1.779 649 HH TYR 86 HH TYR 86 4.883 11.103 0.769 650 H LEU 87 H LEU 87 8.916 9.015 -6.717 651 HA LEU 87 HA LEU 87 11.609 9.486 -6.827 652 HB2 LEU 87 1HB LEU 87 9.655 8.273 -8.704 653 HB3 LEU 87 2HB LEU 87 11.275 8.609 -9.312 654 HG LEU 87 HG LEU 87 10.648 6.876 -6.923 655 HD11 LEU 87 1HD1 LEU 87 9.853 5.832 -8.955 656 HD12 LEU 87 2HD1 LEU 87 11.309 5.016 -8.388 657 HD13 LEU 87 3HD1 LEU 87 11.399 6.136 -9.747 658 HD21 LEU 87 1HD2 LEU 87 13.229 6.575 -8.220 659 HD22 LEU 87 2HD2 LEU 87 12.837 6.781 -6.512 660 HD23 LEU 87 3HD2 LEU 87 12.989 8.193 -7.559 661 H ALA 88 H ALA 88 9.066 11.096 -8.645 662 HA ALA 88 HA ALA 88 10.435 12.415 -10.603 663 HB1 ALA 88 1HB ALA 88 7.925 12.523 -9.830 664 HB2 ALA 88 2HB ALA 88 8.468 13.997 -9.027 665 HB3 ALA 88 3HB ALA 88 8.643 13.829 -10.774 666 H ASP 89 H ASP 89 10.280 13.259 -7.176 667 HA ASP 89 HA ASP 89 11.967 15.589 -7.574 668 HB2 ASP 89 1HB ASP 89 10.150 15.740 -5.952 669 HB3 ASP 89 2HB ASP 89 10.812 14.377 -5.055 670 H SER 90 H SER 90 13.501 13.746 -8.493 671 HA SER 90 HA SER 90 15.050 12.413 -6.448 672 HB2 SER 90 1HB SER 90 16.423 11.619 -8.371 673 HB3 SER 90 2HB SER 90 14.707 11.259 -8.557 674 HG SER 90 HG SER 90 15.069 12.173 -10.439 675 H GLY 91 H GLY 91 15.592 15.003 -8.827 676 HA2 GLY 91 1HA GLY 91 17.339 16.405 -7.050 677 HA3 GLY 91 2HA GLY 91 18.231 15.596 -8.330 678 HA PRO 92 HA PRO 92 15.369 19.004 -10.305 679 HB2 PRO 92 1HB PRO 92 14.669 20.995 -8.597 680 HB3 PRO 92 2HB PRO 92 13.668 19.563 -8.865 681 HG2 PRO 92 1HG PRO 92 15.574 20.151 -6.633 682 HG3 PRO 92 2HG PRO 92 13.955 19.432 -6.561 683 HD2 PRO 92 1HD PRO 92 16.215 17.947 -6.436 684 HD3 PRO 92 2HD PRO 92 14.717 17.345 -7.175 685 H SER 93 H SER 93 18.126 19.067 -8.490 686 HA SER 93 HA SER 93 18.957 21.764 -8.719 687 HB2 SER 93 1HB SER 93 21.218 20.885 -8.244 688 HB3 SER 93 2HB SER 93 20.014 20.228 -7.136 689 HG SER 93 HG SER 93 20.567 18.808 -9.477 690 H SER 94 H SER 94 18.476 22.392 -10.854 691 HA SER 94 HA SER 94 19.407 21.068 -13.157 692 HB2 SER 94 1HB SER 94 17.664 23.031 -12.836 693 HB3 SER 94 2HB SER 94 19.075 24.041 -13.152 694 HG SER 94 HG SER 94 18.227 21.914 -14.828 695 H GLY 95 H GLY 95 21.065 21.803 -14.659 696 HA2 GLY 95 1HA GLY 95 23.089 23.632 -13.967 697 HA3 GLY 95 2HA GLY 95 23.589 22.025 -13.460 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -29.327 14.846 -12.129 2 HA2 GLY 1 1HA GLY 1 -30.027 11.993 -12.257 3 HA3 GLY 1 2HA GLY 1 -29.063 12.696 -13.547 4 H SER 2 H SER 2 -28.969 11.125 -10.596 5 HA SER 2 HA SER 2 -26.084 11.492 -10.443 6 HB2 SER 2 1HB SER 2 -27.222 13.182 -8.906 7 HB3 SER 2 2HB SER 2 -27.753 11.801 -7.947 8 HG SER 2 HG SER 2 -25.681 11.351 -7.425 9 H SER 3 H SER 3 -24.994 9.799 -9.395 10 HA SER 3 HA SER 3 -26.647 7.496 -8.613 11 HB2 SER 3 1HB SER 3 -25.833 7.174 -10.933 12 HB3 SER 3 2HB SER 3 -24.175 7.348 -10.357 13 HG SER 3 HG SER 3 -26.032 5.294 -9.783 14 H GLY 4 H GLY 4 -25.572 5.957 -7.224 15 HA2 GLY 4 1HA GLY 4 -22.994 6.557 -6.117 16 HA3 GLY 4 2HA GLY 4 -24.305 7.017 -5.041 17 H SER 5 H SER 5 -22.363 5.093 -4.398 18 HA SER 5 HA SER 5 -23.798 2.542 -4.618 19 HB2 SER 5 1HB SER 5 -21.324 2.744 -5.232 20 HB3 SER 5 2HB SER 5 -21.020 2.931 -3.505 21 HG SER 5 HG SER 5 -20.987 0.713 -4.544 22 H SER 6 H SER 6 -21.991 4.393 -2.160 23 HA SER 6 HA SER 6 -22.150 4.429 0.118 24 HB2 SER 6 1HB SER 6 -24.333 5.554 -0.830 25 HB3 SER 6 2HB SER 6 -25.121 4.137 -0.134 26 HG SER 6 HG SER 6 -23.697 4.824 1.795 27 H GLY 7 H GLY 7 -21.639 1.868 -0.864 28 HA2 GLY 7 1HA GLY 7 -22.873 0.267 1.263 29 HA3 GLY 7 2HA GLY 7 -22.958 -0.332 -0.387 30 H ARG 8 H ARG 8 -20.434 1.107 1.686 31 HA ARG 8 HA ARG 8 -18.509 -0.797 0.610 32 HB2 ARG 8 1HB ARG 8 -18.353 1.775 2.094 33 HB3 ARG 8 2HB ARG 8 -17.034 0.635 2.318 34 HG2 ARG 8 1HG ARG 8 -17.978 1.552 -0.384 35 HG3 ARG 8 2HG ARG 8 -16.694 2.352 0.525 36 HD2 ARG 8 1HD ARG 8 -15.630 0.005 0.647 37 HD3 ARG 8 2HD ARG 8 -16.734 -0.397 -0.668 38 HE ARG 8 HE ARG 8 -14.393 1.285 -0.809 39 HH11 ARG 8 1HH1 ARG 8 -17.413 0.394 -2.295 40 HH12 ARG 8 2HH1 ARG 8 -16.951 0.948 -3.870 41 HH21 ARG 8 1HH2 ARG 8 -13.773 2.017 -2.878 42 HH22 ARG 8 2HH2 ARG 8 -14.880 1.870 -4.201 43 H ILE 9 H ILE 9 -17.057 -1.962 2.066 44 HA ILE 9 HA ILE 9 -17.823 -2.344 4.807 45 HB ILE 9 HB ILE 9 -18.160 -4.860 4.451 46 HG12 ILE 9 1HG1 ILE 9 -19.052 -3.974 1.709 47 HG13 ILE 9 2HG1 ILE 9 -17.464 -4.674 2.000 48 HG21 ILE 9 1HG2 ILE 9 -20.399 -3.179 3.373 49 HG22 ILE 9 2HG2 ILE 9 -20.487 -4.605 4.405 50 HG23 ILE 9 3HG2 ILE 9 -19.890 -3.079 5.058 51 HD11 ILE 9 1HD1 ILE 9 -18.369 -6.669 1.720 52 HD12 ILE 9 2HD1 ILE 9 -19.296 -6.413 3.199 53 HD13 ILE 9 3HD1 ILE 9 -19.987 -5.973 1.637 54 H VAL 10 H VAL 10 -16.542 -4.289 5.739 55 HA VAL 10 HA VAL 10 -13.790 -3.948 4.875 56 HB VAL 10 HB VAL 10 -14.934 -5.440 7.241 57 HG11 VAL 10 1HG1 VAL 10 -12.443 -5.765 6.066 58 HG12 VAL 10 2HG1 VAL 10 -12.148 -4.668 7.416 59 HG13 VAL 10 3HG1 VAL 10 -12.905 -6.235 7.702 60 HG21 VAL 10 1HG2 VAL 10 -15.178 -2.921 7.171 61 HG22 VAL 10 2HG2 VAL 10 -14.327 -3.579 8.568 62 HG23 VAL 10 3HG2 VAL 10 -13.418 -2.841 7.250 63 H GLY 11 H GLY 11 -16.090 -6.616 5.369 64 HA2 GLY 11 1HA GLY 11 -16.231 -8.429 3.805 65 HA3 GLY 11 2HA GLY 11 -14.531 -8.187 3.428 66 H GLU 12 H GLU 12 -14.431 -10.537 3.750 67 HA GLU 12 HA GLU 12 -14.427 -11.315 6.584 68 HB2 GLU 12 1HB GLU 12 -14.840 -12.802 4.034 69 HB3 GLU 12 2HB GLU 12 -14.113 -13.664 5.383 70 HG2 GLU 12 1HG GLU 12 -16.609 -12.113 5.845 71 HG3 GLU 12 2HG GLU 12 -16.702 -13.666 5.015 72 H LEU 13 H LEU 13 -12.626 -12.217 7.538 73 HA LEU 13 HA LEU 13 -10.114 -11.327 6.699 74 HB2 LEU 13 1HB LEU 13 -11.068 -13.302 8.719 75 HB3 LEU 13 2HB LEU 13 -9.346 -13.217 8.351 76 HG LEU 13 HG LEU 13 -10.900 -10.785 9.184 77 HD11 LEU 13 1HD1 LEU 13 -10.222 -13.097 10.792 78 HD12 LEU 13 2HD1 LEU 13 -11.209 -11.691 11.191 79 HD13 LEU 13 3HD1 LEU 13 -9.458 -11.624 11.391 80 HD21 LEU 13 1HD2 LEU 13 -8.898 -9.756 9.315 81 HD22 LEU 13 2HD2 LEU 13 -8.414 -11.007 8.170 82 HD23 LEU 13 3HD2 LEU 13 -8.069 -11.203 9.889 83 H GLU 14 H GLU 14 -11.174 -14.732 6.883 84 HA GLU 14 HA GLU 14 -9.071 -15.819 5.437 85 HB2 GLU 14 1HB GLU 14 -11.896 -16.708 5.917 86 HB3 GLU 14 2HB GLU 14 -10.842 -17.640 4.863 87 HG2 GLU 14 1HG GLU 14 -9.222 -17.830 6.720 88 HG3 GLU 14 2HG GLU 14 -10.374 -17.001 7.765 89 H GLN 15 H GLN 15 -11.707 -13.935 4.341 90 HA GLN 15 HA GLN 15 -11.653 -14.883 1.620 91 HB2 GLN 15 1HB GLN 15 -13.062 -12.638 3.036 92 HB3 GLN 15 2HB GLN 15 -13.087 -12.758 1.281 93 HG2 GLN 15 1HG GLN 15 -13.911 -15.171 1.695 94 HG3 GLN 15 2HG GLN 15 -14.289 -14.586 3.314 95 HE21 GLN 15 1HE2 GLN 15 -14.738 -13.706 -0.090 96 HE22 GLN 15 2HE2 GLN 15 -16.346 -13.104 0.099 97 H MET 16 H MET 16 -10.020 -12.490 3.496 98 HA MET 16 HA MET 16 -9.268 -10.684 1.490 99 HB2 MET 16 1HB MET 16 -7.678 -11.478 3.935 100 HB3 MET 16 2HB MET 16 -7.482 -10.001 3.000 101 HG2 MET 16 1HG MET 16 -9.849 -9.427 3.603 102 HG3 MET 16 2HG MET 16 -9.816 -10.793 4.715 103 HE1 MET 16 1HE MET 16 -10.501 -9.092 6.684 104 HE2 MET 16 2HE MET 16 -9.591 -7.628 7.055 105 HE3 MET 16 3HE MET 16 -10.478 -7.755 5.534 106 H VAL 17 H VAL 17 -7.236 -10.443 0.397 107 HA VAL 17 HA VAL 17 -5.656 -12.896 0.101 108 HB VAL 17 HB VAL 17 -5.650 -12.740 -2.315 109 HG11 VAL 17 1HG1 VAL 17 -8.557 -12.578 -1.720 110 HG12 VAL 17 2HG1 VAL 17 -7.658 -13.773 -2.657 111 HG13 VAL 17 3HG1 VAL 17 -7.604 -13.810 -0.894 112 HG21 VAL 17 1HG2 VAL 17 -7.492 -10.385 -1.924 113 HG22 VAL 17 2HG2 VAL 17 -5.867 -10.359 -2.610 114 HG23 VAL 17 3HG2 VAL 17 -7.177 -11.163 -3.474 115 H SER 18 H SER 18 -3.512 -12.562 -0.128 116 HA SER 18 HA SER 18 -2.573 -9.808 0.039 117 HB2 SER 18 1HB SER 18 -1.265 -12.483 0.511 118 HB3 SER 18 2HB SER 18 -0.326 -10.992 0.430 119 HG SER 18 HG SER 18 -2.323 -11.722 2.291 120 H GLU 19 H GLU 19 -1.280 -8.818 -1.447 121 HA GLU 19 HA GLU 19 -0.591 -10.334 -3.871 122 HB2 GLU 19 1HB GLU 19 -2.178 -7.832 -3.621 123 HB3 GLU 19 2HB GLU 19 -1.049 -7.939 -4.964 124 HG2 GLU 19 1HG GLU 19 -2.962 -8.754 -5.916 125 HG3 GLU 19 2HG GLU 19 -2.186 -10.242 -5.379 126 H ASP 20 H ASP 20 1.194 -9.487 -5.082 127 HA ASP 20 HA ASP 20 3.103 -8.069 -3.370 128 HB2 ASP 20 1HB ASP 20 4.647 -8.857 -5.394 129 HB3 ASP 20 2HB ASP 20 4.233 -9.935 -4.064 130 H VAL 21 H VAL 21 3.407 -5.976 -3.692 131 HA VAL 21 HA VAL 21 2.925 -4.878 -6.385 132 HB VAL 21 HB VAL 21 2.901 -3.129 -3.965 133 HG11 VAL 21 1HG1 VAL 21 2.590 -2.652 -6.618 134 HG12 VAL 21 2HG1 VAL 21 0.912 -2.828 -6.102 135 HG13 VAL 21 3HG1 VAL 21 1.950 -1.625 -5.336 136 HG21 VAL 21 1HG2 VAL 21 0.807 -5.124 -4.712 137 HG22 VAL 21 2HG2 VAL 21 1.399 -4.665 -3.115 138 HG23 VAL 21 3HG2 VAL 21 0.335 -3.577 -4.008 139 HA PRO 22 HA PRO 22 7.306 -4.056 -6.292 140 HB2 PRO 22 1HB PRO 22 7.408 -2.855 -8.724 141 HB3 PRO 22 2HB PRO 22 7.300 -4.607 -8.522 142 HG2 PRO 22 1HG PRO 22 5.134 -2.634 -9.139 143 HG3 PRO 22 2HG PRO 22 5.424 -4.235 -9.845 144 HD2 PRO 22 1HD PRO 22 3.558 -3.803 -7.931 145 HD3 PRO 22 2HD PRO 22 4.446 -5.334 -8.070 146 H LEU 23 H LEU 23 7.495 -2.499 -4.693 147 HA LEU 23 HA LEU 23 7.084 0.285 -5.567 148 HB2 LEU 23 1HB LEU 23 5.562 -0.526 -3.739 149 HB3 LEU 23 2HB LEU 23 6.992 -0.707 -2.726 150 HG LEU 23 HG LEU 23 7.386 1.783 -3.129 151 HD11 LEU 23 1HD1 LEU 23 4.853 1.368 -4.546 152 HD12 LEU 23 2HD1 LEU 23 6.062 2.639 -4.723 153 HD13 LEU 23 3HD1 LEU 23 4.863 2.737 -3.434 154 HD21 LEU 23 1HD2 LEU 23 6.299 2.269 -1.181 155 HD22 LEU 23 2HD2 LEU 23 6.264 0.507 -1.109 156 HD23 LEU 23 3HD2 LEU 23 4.838 1.397 -1.646 157 H ASP 24 H ASP 24 9.013 1.099 -6.060 158 HA ASP 24 HA ASP 24 11.501 0.199 -5.355 159 HB2 ASP 24 1HB ASP 24 10.763 2.111 -6.977 160 HB3 ASP 24 2HB ASP 24 11.029 3.153 -5.581 161 H HIS 25 H HIS 25 13.093 0.915 -3.842 162 HA HIS 25 HA HIS 25 12.020 1.286 -1.204 163 HB2 HIS 25 1HB HIS 25 14.192 0.857 -0.412 164 HB3 HIS 25 2HB HIS 25 14.066 -0.123 -1.870 165 HD1 HIS 25 1HD HIS 25 16.081 2.487 -0.303 166 HD2 HIS 25 2HD HIS 25 15.450 1.047 -4.149 167 HE1 HIS 25 1HE HIS 25 18.000 3.363 -1.673 168 H ARG 26 H ARG 26 13.431 3.304 -3.645 169 HA ARG 26 HA ARG 26 14.209 5.461 -1.975 170 HB2 ARG 26 1HB ARG 26 13.565 5.298 -4.918 171 HB3 ARG 26 2HB ARG 26 14.107 6.779 -4.140 172 HG2 ARG 26 1HG ARG 26 16.069 5.225 -3.317 173 HG3 ARG 26 2HG ARG 26 15.608 4.290 -4.741 174 HD2 ARG 26 1HD ARG 26 17.384 5.919 -5.228 175 HD3 ARG 26 2HD ARG 26 15.917 6.231 -6.155 176 HE ARG 26 HE ARG 26 15.634 8.209 -5.006 177 HH11 ARG 26 1HH1 ARG 26 18.153 6.318 -3.523 178 HH12 ARG 26 2HH1 ARG 26 18.700 7.607 -2.503 179 HH21 ARG 26 1HH2 ARG 26 16.344 9.914 -3.668 180 HH22 ARG 26 2HH2 ARG 26 17.669 9.652 -2.585 181 H VAL 27 H VAL 27 11.204 4.241 -2.599 182 HA VAL 27 HA VAL 27 9.928 6.843 -2.058 183 HB VAL 27 HB VAL 27 7.966 6.143 -3.295 184 HG11 VAL 27 1HG1 VAL 27 9.847 7.266 -4.478 185 HG12 VAL 27 2HG1 VAL 27 10.410 5.676 -4.996 186 HG13 VAL 27 3HG1 VAL 27 8.836 6.271 -5.525 187 HG21 VAL 27 1HG2 VAL 27 8.480 3.650 -2.785 188 HG22 VAL 27 2HG2 VAL 27 7.664 4.073 -4.290 189 HG23 VAL 27 3HG2 VAL 27 9.389 3.709 -4.295 190 H HIS 28 H HIS 28 10.593 3.796 -0.902 191 HA HIS 28 HA HIS 28 8.286 2.910 0.334 192 HB2 HIS 28 1HB HIS 28 11.195 2.674 0.953 193 HB3 HIS 28 2HB HIS 28 10.043 2.168 2.185 194 HD2 HIS 28 2HD HIS 28 8.784 1.340 -1.319 195 HE1 HIS 28 1HE HIS 28 10.600 -2.180 0.199 196 HE2 HIS 28 2HE HIS 28 9.235 -1.183 -1.667 197 H ALA 29 H ALA 29 10.836 4.722 2.049 198 HA ALA 29 HA ALA 29 9.343 5.359 4.295 199 HB1 ALA 29 1HB ALA 29 11.197 7.476 3.577 200 HB2 ALA 29 2HB ALA 29 11.214 6.374 4.955 201 HB3 ALA 29 3HB ALA 29 11.907 5.869 3.414 202 H ARG 30 H ARG 30 9.678 7.138 1.253 203 HA ARG 30 HA ARG 30 8.387 9.489 1.910 204 HB2 ARG 30 1HB ARG 30 8.373 7.945 -0.685 205 HB3 ARG 30 2HB ARG 30 7.731 9.573 -0.520 206 HG2 ARG 30 1HG ARG 30 10.541 8.971 0.295 207 HG3 ARG 30 2HG ARG 30 10.134 9.239 -1.401 208 HD2 ARG 30 1HD ARG 30 9.555 11.443 -1.051 209 HD3 ARG 30 2HD ARG 30 9.198 11.187 0.656 210 HE ARG 30 HE ARG 30 11.969 10.823 0.009 211 HH11 ARG 30 1HH1 ARG 30 9.513 13.156 0.814 212 HH12 ARG 30 2HH1 ARG 30 10.636 14.312 1.451 213 HH21 ARG 30 1HH2 ARG 30 13.457 12.337 0.845 214 HH22 ARG 30 2HH2 ARG 30 12.879 13.845 1.467 215 H ILE 31 H ILE 31 7.034 6.335 1.231 216 HA ILE 31 HA ILE 31 4.312 7.365 1.236 217 HB ILE 31 HB ILE 31 5.329 4.532 0.982 218 HG12 ILE 31 1HG1 ILE 31 4.130 6.326 -1.135 219 HG13 ILE 31 2HG1 ILE 31 5.862 6.130 -0.897 220 HG21 ILE 31 1HG2 ILE 31 2.614 5.175 0.078 221 HG22 ILE 31 2HG2 ILE 31 3.217 3.772 0.959 222 HG23 ILE 31 3HG2 ILE 31 2.851 5.265 1.823 223 HD11 ILE 31 1HD1 ILE 31 4.327 3.642 -1.213 224 HD12 ILE 31 2HD1 ILE 31 4.416 4.687 -2.631 225 HD13 ILE 31 3HD1 ILE 31 5.897 4.106 -1.869 226 H ILE 32 H ILE 32 6.233 5.024 3.115 227 HA ILE 32 HA ILE 32 4.455 4.291 5.042 228 HB ILE 32 HB ILE 32 7.386 4.916 5.378 229 HG12 ILE 32 1HG1 ILE 32 6.051 2.217 5.276 230 HG13 ILE 32 2HG1 ILE 32 6.554 3.055 3.812 231 HG21 ILE 32 1HG2 ILE 32 7.114 4.731 7.575 232 HG22 ILE 32 2HG2 ILE 32 5.402 4.356 7.380 233 HG23 ILE 32 3HG2 ILE 32 6.601 3.063 7.321 234 HD11 ILE 32 1HD1 ILE 32 8.664 2.948 5.794 235 HD12 ILE 32 2HD1 ILE 32 8.085 1.347 5.330 236 HD13 ILE 32 3HD1 ILE 32 8.673 2.464 4.098 237 H GLY 33 H GLY 33 6.434 7.245 5.045 238 HA2 GLY 33 1HA GLY 33 5.548 9.327 5.836 239 HA3 GLY 33 2HA GLY 33 4.493 8.425 6.915 240 H ALA 34 H ALA 34 5.907 10.519 7.911 241 HA ALA 34 HA ALA 34 8.449 9.923 8.944 242 HB1 ALA 34 1HB ALA 34 7.859 12.174 9.004 243 HB2 ALA 34 2HB ALA 34 6.299 11.845 9.760 244 HB3 ALA 34 3HB ALA 34 7.785 11.684 10.697 245 H ARG 35 H ARG 35 5.252 9.713 10.512 246 HA ARG 35 HA ARG 35 6.449 7.922 12.518 247 HB2 ARG 35 1HB ARG 35 4.614 8.545 13.995 248 HB3 ARG 35 2HB ARG 35 5.465 9.979 13.437 249 HG2 ARG 35 1HG ARG 35 3.287 10.643 13.219 250 HG3 ARG 35 2HG ARG 35 3.607 10.011 11.603 251 HD2 ARG 35 1HD ARG 35 1.429 9.297 12.681 252 HD3 ARG 35 2HD ARG 35 2.451 8.007 12.047 253 HE ARG 35 HE ARG 35 2.635 7.188 14.167 254 HH11 ARG 35 1HH1 ARG 35 1.650 10.522 14.344 255 HH12 ARG 35 2HH1 ARG 35 1.426 10.500 16.062 256 HH21 ARG 35 1HH2 ARG 35 2.343 7.146 16.429 257 HH22 ARG 35 2HH2 ARG 35 1.821 8.580 17.247 258 H GLY 36 H GLY 36 4.974 7.630 9.712 259 HA2 GLY 36 1HA GLY 36 4.117 5.609 8.857 260 HA3 GLY 36 2HA GLY 36 3.678 5.130 10.490 261 H LYS 37 H LYS 37 2.876 8.245 9.099 262 HA LYS 37 HA LYS 37 0.045 7.618 9.449 263 HB2 LYS 37 1HB LYS 37 1.306 9.768 10.277 264 HB3 LYS 37 2HB LYS 37 1.058 10.312 8.623 265 HG2 LYS 37 1HG LYS 37 -1.278 10.278 8.845 266 HG3 LYS 37 2HG LYS 37 -1.204 9.319 10.325 267 HD2 LYS 37 1HD LYS 37 0.065 11.314 11.322 268 HD3 LYS 37 2HD LYS 37 -0.526 12.218 9.926 269 HE2 LYS 37 1HE LYS 37 -2.844 11.476 10.568 270 HE3 LYS 37 2HE LYS 37 -2.150 10.853 12.064 271 HZ1 LYS 37 1HZ LYS 37 -1.694 13.653 11.268 272 HZ2 LYS 37 2HZ LYS 37 -1.653 12.965 12.812 273 HZ3 LYS 37 3HZ LYS 37 -3.136 13.211 12.036 274 H ALA 38 H ALA 38 2.145 9.105 6.981 275 HA ALA 38 HA ALA 38 0.470 9.497 4.911 276 HB1 ALA 38 1HB ALA 38 3.261 8.414 4.947 277 HB2 ALA 38 2HB ALA 38 2.403 8.649 3.424 278 HB3 ALA 38 3HB ALA 38 2.693 10.021 4.493 279 H ILE 39 H ILE 39 1.546 6.378 6.102 280 HA ILE 39 HA ILE 39 0.221 4.963 3.933 281 HB ILE 39 HB ILE 39 2.410 4.180 4.868 282 HG12 ILE 39 1HG1 ILE 39 1.454 1.731 5.231 283 HG13 ILE 39 2HG1 ILE 39 -0.037 2.480 4.669 284 HG21 ILE 39 1HG2 ILE 39 0.920 3.015 7.174 285 HG22 ILE 39 2HG2 ILE 39 2.644 3.337 6.995 286 HG23 ILE 39 3HG2 ILE 39 1.523 4.669 7.277 287 HD11 ILE 39 1HD1 ILE 39 0.807 2.886 2.566 288 HD12 ILE 39 2HD1 ILE 39 2.484 2.820 3.112 289 HD13 ILE 39 3HD1 ILE 39 1.541 1.336 2.975 290 H ARG 40 H ARG 40 -0.280 5.773 7.289 291 HA ARG 40 HA ARG 40 -2.227 3.917 7.995 292 HB2 ARG 40 1HB ARG 40 -1.044 5.810 9.372 293 HB3 ARG 40 2HB ARG 40 -2.446 6.762 8.901 294 HG2 ARG 40 1HG ARG 40 -3.109 5.924 10.932 295 HG3 ARG 40 2HG ARG 40 -3.794 4.737 9.820 296 HD2 ARG 40 1HD ARG 40 -1.653 3.410 10.164 297 HD3 ARG 40 2HD ARG 40 -1.317 4.501 11.507 298 HE ARG 40 HE ARG 40 -2.843 3.350 12.749 299 HH11 ARG 40 1HH1 ARG 40 -3.456 2.729 9.378 300 HH12 ARG 40 2HH1 ARG 40 -4.688 1.550 9.686 301 HH21 ARG 40 1HH2 ARG 40 -4.464 1.800 13.166 302 HH22 ARG 40 2HH2 ARG 40 -5.261 1.023 11.840 303 H LYS 41 H LYS 41 -2.499 6.918 6.178 304 HA LYS 41 HA LYS 41 -5.347 6.962 6.117 305 HB2 LYS 41 1HB LYS 41 -5.135 8.762 4.574 306 HB3 LYS 41 2HB LYS 41 -3.829 8.940 5.738 307 HG2 LYS 41 1HG LYS 41 -2.222 8.135 4.188 308 HG3 LYS 41 2HG LYS 41 -3.478 7.622 3.059 309 HD2 LYS 41 1HD LYS 41 -2.608 9.648 2.199 310 HD3 LYS 41 2HD LYS 41 -4.167 10.053 2.922 311 HE2 LYS 41 1HE LYS 41 -2.910 10.713 4.998 312 HE3 LYS 41 2HE LYS 41 -1.422 10.525 4.071 313 HZ1 LYS 41 1HZ LYS 41 -1.704 12.598 3.387 314 HZ2 LYS 41 2HZ LYS 41 -3.224 12.707 4.121 315 HZ3 LYS 41 3HZ LYS 41 -3.088 12.113 2.543 316 H ILE 42 H ILE 42 -2.850 5.686 3.982 317 HA ILE 42 HA ILE 42 -4.552 5.016 1.826 318 HB ILE 42 HB ILE 42 -1.890 3.852 2.643 319 HG12 ILE 42 1HG1 ILE 42 -2.594 5.821 0.457 320 HG13 ILE 42 2HG1 ILE 42 -1.931 6.268 2.025 321 HG21 ILE 42 1HG2 ILE 42 -2.436 2.193 1.236 322 HG22 ILE 42 2HG2 ILE 42 -3.769 3.102 0.525 323 HG23 ILE 42 3HG2 ILE 42 -2.118 3.381 -0.027 324 HD11 ILE 42 1HD1 ILE 42 -0.610 5.134 -0.333 325 HD12 ILE 42 2HD1 ILE 42 0.020 6.188 0.933 326 HD13 ILE 42 3HD1 ILE 42 -0.108 4.452 1.213 327 H MET 43 H MET 43 -3.367 3.150 4.602 328 HA MET 43 HA MET 43 -4.453 0.675 3.928 329 HB2 MET 43 1HB MET 43 -3.753 1.980 6.535 330 HB3 MET 43 2HB MET 43 -4.546 0.410 6.523 331 HG2 MET 43 1HG MET 43 -2.685 -0.362 4.991 332 HG3 MET 43 2HG MET 43 -1.863 1.142 5.399 333 HE1 MET 43 1HE MET 43 -0.609 1.615 7.077 334 HE2 MET 43 2HE MET 43 -0.342 0.780 8.607 335 HE3 MET 43 3HE MET 43 0.390 0.162 7.125 336 H ASP 44 H ASP 44 -5.846 3.150 6.087 337 HA ASP 44 HA ASP 44 -8.323 1.857 6.425 338 HB2 ASP 44 1HB ASP 44 -7.281 4.608 6.909 339 HB3 ASP 44 2HB ASP 44 -9.028 4.376 6.911 340 H GLU 45 H GLU 45 -7.123 4.052 3.979 341 HA GLU 45 HA GLU 45 -9.391 5.007 2.798 342 HB2 GLU 45 1HB GLU 45 -7.029 5.446 2.075 343 HB3 GLU 45 2HB GLU 45 -7.044 3.888 1.262 344 HG2 GLU 45 1HG GLU 45 -8.576 4.592 -0.335 345 HG3 GLU 45 2HG GLU 45 -9.113 5.955 0.644 346 H PHE 46 H PHE 46 -7.855 1.876 2.068 347 HA PHE 46 HA PHE 46 -10.430 0.984 0.947 348 HB2 PHE 46 1HB PHE 46 -7.728 -0.179 0.271 349 HB3 PHE 46 2HB PHE 46 -9.256 -0.441 -0.565 350 HD1 PHE 46 1HD PHE 46 -6.736 2.164 0.227 351 HD2 PHE 46 2HD PHE 46 -9.865 0.899 -2.366 352 HE1 PHE 46 1HE PHE 46 -6.206 4.012 -1.309 353 HE2 PHE 46 2HE PHE 46 -9.339 2.744 -3.907 354 HZ PHE 46 HZ PHE 46 -7.507 4.303 -3.379 355 H LYS 47 H LYS 47 -8.807 0.812 3.678 356 HA LYS 47 HA LYS 47 -8.770 -0.611 5.453 357 HB2 LYS 47 1HB LYS 47 -10.855 -2.028 3.790 358 HB3 LYS 47 2HB LYS 47 -10.430 -2.506 5.428 359 HG2 LYS 47 1HG LYS 47 -12.335 -1.198 5.688 360 HG3 LYS 47 2HG LYS 47 -11.008 -0.104 6.084 361 HD2 LYS 47 1HD LYS 47 -11.303 1.156 4.203 362 HD3 LYS 47 2HD LYS 47 -11.919 -0.203 3.259 363 HE2 LYS 47 1HE LYS 47 -13.856 0.966 3.531 364 HE3 LYS 47 2HE LYS 47 -13.914 -0.021 4.990 365 HZ1 LYS 47 1HZ LYS 47 -13.358 1.750 6.319 366 HZ2 LYS 47 2HZ LYS 47 -14.297 2.519 5.141 367 HZ3 LYS 47 3HZ LYS 47 -12.610 2.613 5.071 368 H VAL 48 H VAL 48 -6.765 -0.914 3.534 369 HA VAL 48 HA VAL 48 -6.346 -3.829 3.463 370 HB VAL 48 HB VAL 48 -4.634 -3.373 1.725 371 HG11 VAL 48 1HG1 VAL 48 -7.296 -2.198 0.955 372 HG12 VAL 48 2HG1 VAL 48 -6.168 -3.092 -0.065 373 HG13 VAL 48 3HG1 VAL 48 -7.040 -3.922 1.224 374 HG21 VAL 48 1HG2 VAL 48 -3.842 -1.305 1.530 375 HG22 VAL 48 2HG2 VAL 48 -5.378 -0.846 0.796 376 HG23 VAL 48 3HG2 VAL 48 -5.139 -0.654 2.532 377 H ASP 49 H ASP 49 -4.243 -4.645 3.965 378 HA ASP 49 HA ASP 49 -2.777 -2.923 5.851 379 HB2 ASP 49 1HB ASP 49 -3.791 -4.889 6.902 380 HB3 ASP 49 2HB ASP 49 -2.965 -5.941 5.756 381 H ILE 50 H ILE 50 -1.179 -2.021 4.668 382 HA ILE 50 HA ILE 50 0.267 -3.512 2.672 383 HB ILE 50 HB ILE 50 0.893 -0.785 3.807 384 HG12 ILE 50 1HG1 ILE 50 -0.740 -1.584 1.389 385 HG13 ILE 50 2HG1 ILE 50 -1.345 -0.806 2.848 386 HG21 ILE 50 1HG2 ILE 50 1.664 -1.294 1.065 387 HG22 ILE 50 2HG2 ILE 50 2.626 -0.693 2.414 388 HG23 ILE 50 3HG2 ILE 50 2.422 -2.429 2.182 389 HD11 ILE 50 1HD1 ILE 50 -0.457 1.234 2.286 390 HD12 ILE 50 2HD1 ILE 50 0.780 0.530 1.244 391 HD13 ILE 50 3HD1 ILE 50 -0.899 0.589 0.706 392 H ARG 51 H ARG 51 1.861 -4.868 3.121 393 HA ARG 51 HA ARG 51 3.376 -4.505 5.613 394 HB2 ARG 51 1HB ARG 51 2.092 -6.696 4.981 395 HB3 ARG 51 2HB ARG 51 3.486 -6.997 3.953 396 HG2 ARG 51 1HG ARG 51 3.679 -6.441 6.903 397 HG3 ARG 51 2HG ARG 51 3.586 -8.061 6.207 398 HD2 ARG 51 1HD ARG 51 5.598 -7.332 4.780 399 HD3 ARG 51 2HD ARG 51 5.765 -6.017 5.942 400 HE ARG 51 HE ARG 51 6.390 -8.793 6.359 401 HH11 ARG 51 1HH1 ARG 51 5.546 -5.782 7.889 402 HH12 ARG 51 2HH1 ARG 51 6.251 -6.209 9.414 403 HH21 ARG 51 1HH2 ARG 51 7.321 -9.367 8.360 404 HH22 ARG 51 2HH2 ARG 51 7.261 -8.248 9.680 405 H PHE 52 H PHE 52 5.218 -3.439 5.319 406 HA PHE 52 HA PHE 52 6.579 -3.423 2.781 407 HB2 PHE 52 1HB PHE 52 7.148 -2.146 5.452 408 HB3 PHE 52 2HB PHE 52 8.270 -2.028 4.101 409 HD1 PHE 52 1HD PHE 52 7.677 -0.768 2.098 410 HD2 PHE 52 2HD PHE 52 5.085 -0.932 5.469 411 HE1 PHE 52 1HE PHE 52 6.421 1.157 1.221 412 HE2 PHE 52 2HE PHE 52 3.824 0.993 4.597 413 HZ PHE 52 HZ PHE 52 4.491 2.039 2.470 414 HA PRO 53 HA PRO 53 9.444 -6.682 3.439 415 HB2 PRO 53 1HB PRO 53 11.609 -5.744 2.096 416 HB3 PRO 53 2HB PRO 53 10.152 -6.328 1.282 417 HG2 PRO 53 1HG PRO 53 10.990 -3.517 1.880 418 HG3 PRO 53 2HG PRO 53 10.277 -4.181 0.398 419 HD2 PRO 53 1HD PRO 53 8.823 -2.816 2.230 420 HD3 PRO 53 2HD PRO 53 8.138 -4.133 1.256 421 H GLN 54 H GLN 54 10.505 -7.173 5.246 422 HA GLN 54 HA GLN 54 11.581 -5.247 7.002 423 HB2 GLN 54 1HB GLN 54 12.492 -7.207 8.233 424 HB3 GLN 54 2HB GLN 54 10.779 -7.349 7.862 425 HG2 GLN 54 1HG GLN 54 11.221 -8.880 6.084 426 HG3 GLN 54 2HG GLN 54 12.959 -8.621 6.228 427 HE21 GLN 54 1HE2 GLN 54 13.025 -10.957 6.420 428 HE22 GLN 54 2HE2 GLN 54 12.760 -11.684 7.965 429 H SER 55 H SER 55 13.950 -5.832 7.908 430 HA SER 55 HA SER 55 15.737 -4.856 5.943 431 HB2 SER 55 1HB SER 55 16.287 -6.064 8.664 432 HB3 SER 55 2HB SER 55 17.485 -5.226 7.678 433 HG SER 55 HG SER 55 16.250 -3.349 7.849 434 H GLY 56 H GLY 56 14.766 -8.030 6.857 435 HA2 GLY 56 1HA GLY 56 16.954 -9.164 5.227 436 HA3 GLY 56 2HA GLY 56 16.206 -10.009 6.574 437 H ALA 57 H ALA 57 14.171 -8.172 4.480 438 HA ALA 57 HA ALA 57 12.663 -10.482 3.760 439 HB1 ALA 57 1HB ALA 57 12.427 -7.583 3.429 440 HB2 ALA 57 2HB ALA 57 11.739 -8.524 2.105 441 HB3 ALA 57 3HB ALA 57 11.189 -8.795 3.758 442 HA PRO 58 HA PRO 58 14.576 -11.707 0.002 443 HB2 PRO 58 1HB PRO 58 12.430 -12.601 -1.400 444 HB3 PRO 58 2HB PRO 58 13.109 -13.476 -0.023 445 HG2 PRO 58 1HG PRO 58 10.726 -11.667 -0.130 446 HG3 PRO 58 2HG PRO 58 10.914 -13.223 0.700 447 HD2 PRO 58 1HD PRO 58 11.097 -10.851 1.993 448 HD3 PRO 58 2HD PRO 58 12.029 -12.281 2.483 449 H ASP 59 H ASP 59 11.942 -9.416 -0.088 450 HA ASP 59 HA ASP 59 13.091 -8.260 -2.532 451 HB2 ASP 59 1HB ASP 59 10.283 -9.127 -2.057 452 HB3 ASP 59 2HB ASP 59 10.529 -7.628 -2.949 453 HA PRO 60 HA PRO 60 12.863 -5.006 0.672 454 HB2 PRO 60 1HB PRO 60 15.029 -3.658 -0.256 455 HB3 PRO 60 2HB PRO 60 15.155 -5.048 0.828 456 HG2 PRO 60 1HG PRO 60 15.491 -4.927 -2.145 457 HG3 PRO 60 2HG PRO 60 16.464 -5.794 -0.943 458 HD2 PRO 60 1HD PRO 60 14.583 -7.022 -2.455 459 HD3 PRO 60 2HD PRO 60 14.962 -7.536 -0.799 460 H ASN 61 H ASN 61 12.193 -5.182 -2.558 461 HA ASN 61 HA ASN 61 11.491 -2.323 -2.680 462 HB2 ASN 61 1HB ASN 61 12.106 -4.023 -5.096 463 HB3 ASN 61 2HB ASN 61 11.954 -2.270 -5.014 464 HD21 ASN 61 1HD2 ASN 61 14.059 -4.878 -4.940 465 HD22 ASN 61 2HD2 ASN 61 15.484 -4.043 -4.434 466 H CYS 62 H CYS 62 10.172 -5.149 -2.106 467 HA CYS 62 HA CYS 62 7.737 -4.560 -3.656 468 HB2 CYS 62 1HB CYS 62 9.049 -6.695 -4.273 469 HB3 CYS 62 2HB CYS 62 8.468 -7.332 -2.740 470 HG CYS 62 HG CYS 62 6.903 -8.336 -4.856 471 H VAL 63 H VAL 63 5.777 -4.723 -2.596 472 HA VAL 63 HA VAL 63 5.929 -5.142 0.319 473 HB VAL 63 HB VAL 63 4.307 -3.431 0.683 474 HG11 VAL 63 1HG1 VAL 63 6.350 -2.438 -1.303 475 HG12 VAL 63 2HG1 VAL 63 5.467 -1.443 -0.144 476 HG13 VAL 63 3HG1 VAL 63 6.609 -2.660 0.427 477 HG21 VAL 63 1HG2 VAL 63 2.762 -3.604 -1.043 478 HG22 VAL 63 2HG2 VAL 63 3.549 -2.060 -1.375 479 HG23 VAL 63 3HG2 VAL 63 3.999 -3.495 -2.296 480 H THR 64 H THR 64 4.174 -6.144 1.327 481 HA THR 64 HA THR 64 2.476 -7.700 -0.497 482 HB THR 64 HB THR 64 3.107 -8.222 2.415 483 HG1 THR 64 1HG THR 64 4.243 -9.098 -0.007 484 HG21 THR 64 1HG2 THR 64 1.251 -9.446 0.477 485 HG22 THR 64 2HG2 THR 64 1.198 -9.422 2.240 486 HG23 THR 64 3HG2 THR 64 2.239 -10.575 1.404 487 H VAL 65 H VAL 65 0.677 -6.503 -0.851 488 HA VAL 65 HA VAL 65 -0.647 -5.156 1.364 489 HB VAL 65 HB VAL 65 -1.388 -5.271 -1.563 490 HG11 VAL 65 1HG1 VAL 65 -3.278 -4.866 0.033 491 HG12 VAL 65 2HG1 VAL 65 -2.440 -3.403 0.553 492 HG13 VAL 65 3HG1 VAL 65 -2.987 -3.562 -1.117 493 HG21 VAL 65 1HG2 VAL 65 0.688 -4.109 -1.295 494 HG22 VAL 65 2HG2 VAL 65 -0.578 -2.910 -1.559 495 HG23 VAL 65 3HG2 VAL 65 0.053 -3.183 0.065 496 H THR 66 H THR 66 -2.100 -6.166 2.567 497 HA THR 66 HA THR 66 -3.380 -8.591 1.564 498 HB THR 66 HB THR 66 -3.768 -7.503 4.336 499 HG1 THR 66 1HG THR 66 -1.673 -7.687 4.590 500 HG21 THR 66 1HG2 THR 66 -5.086 -9.368 4.143 501 HG22 THR 66 2HG2 THR 66 -3.577 -10.126 4.650 502 HG23 THR 66 3HG2 THR 66 -4.033 -10.122 2.947 503 H GLY 67 H GLY 67 -5.677 -8.935 1.841 504 HA2 GLY 67 1HA GLY 67 -7.791 -7.726 2.554 505 HA3 GLY 67 2HA GLY 67 -7.188 -6.415 1.551 506 H LEU 68 H LEU 68 -9.669 -7.415 1.064 507 HA LEU 68 HA LEU 68 -9.974 -9.542 -0.656 508 HB2 LEU 68 1HB LEU 68 -11.379 -6.891 -0.526 509 HB3 LEU 68 2HB LEU 68 -11.862 -8.148 -1.663 510 HG LEU 68 HG LEU 68 -13.334 -8.297 0.181 511 HD11 LEU 68 1HD1 LEU 68 -12.039 -10.414 -0.690 512 HD12 LEU 68 2HD1 LEU 68 -13.148 -10.520 0.676 513 HD13 LEU 68 3HD1 LEU 68 -11.410 -10.429 0.958 514 HD21 LEU 68 1HD2 LEU 68 -12.756 -8.198 2.428 515 HD22 LEU 68 2HD2 LEU 68 -11.682 -7.011 1.688 516 HD23 LEU 68 3HD2 LEU 68 -11.070 -8.610 2.117 517 HA PRO 69 HA PRO 69 -7.975 -8.566 -4.441 518 HB2 PRO 69 1HB PRO 69 -9.647 -9.726 -6.238 519 HB3 PRO 69 2HB PRO 69 -8.591 -10.656 -5.169 520 HG2 PRO 69 1HG PRO 69 -11.507 -10.040 -4.885 521 HG3 PRO 69 2HG PRO 69 -10.653 -11.567 -4.596 522 HD2 PRO 69 1HD PRO 69 -11.379 -9.901 -2.588 523 HD3 PRO 69 2HD PRO 69 -9.918 -10.907 -2.513 524 H GLU 70 H GLU 70 -11.185 -7.473 -3.822 525 HA GLU 70 HA GLU 70 -11.320 -5.843 -6.223 526 HB2 GLU 70 1HB GLU 70 -13.513 -5.158 -5.397 527 HB3 GLU 70 2HB GLU 70 -13.362 -6.909 -5.383 528 HG2 GLU 70 1HG GLU 70 -12.950 -6.879 -2.992 529 HG3 GLU 70 2HG GLU 70 -13.035 -5.118 -2.987 530 H ASN 71 H ASN 71 -10.441 -5.542 -2.886 531 HA ASN 71 HA ASN 71 -10.479 -2.631 -2.980 532 HB2 ASN 71 1HB ASN 71 -10.027 -4.668 -0.826 533 HB3 ASN 71 2HB ASN 71 -9.480 -3.011 -0.589 534 HD21 ASN 71 1HD2 ASN 71 -11.429 -4.290 0.970 535 HD22 ASN 71 2HD2 ASN 71 -12.931 -3.468 0.737 536 H VAL 72 H VAL 72 -8.140 -5.273 -2.612 537 HA VAL 72 HA VAL 72 -5.816 -3.814 -2.289 538 HB VAL 72 HB VAL 72 -6.143 -6.374 -3.862 539 HG11 VAL 72 1HG1 VAL 72 -3.951 -4.843 -3.909 540 HG12 VAL 72 2HG1 VAL 72 -3.636 -5.742 -2.423 541 HG13 VAL 72 3HG1 VAL 72 -3.890 -6.605 -3.941 542 HG21 VAL 72 1HG2 VAL 72 -5.045 -6.505 -1.158 543 HG22 VAL 72 2HG2 VAL 72 -6.720 -5.954 -1.217 544 HG23 VAL 72 3HG2 VAL 72 -6.276 -7.504 -1.932 545 H GLU 73 H GLU 73 -7.149 -5.014 -5.376 546 HA GLU 73 HA GLU 73 -5.363 -4.006 -7.154 547 HB2 GLU 73 1HB GLU 73 -7.255 -3.763 -8.755 548 HB3 GLU 73 2HB GLU 73 -7.248 -5.301 -7.904 549 HG2 GLU 73 1HG GLU 73 -8.938 -4.373 -6.337 550 HG3 GLU 73 2HG GLU 73 -9.013 -2.930 -7.348 551 H GLU 74 H GLU 74 -8.096 -2.211 -5.756 552 HA GLU 74 HA GLU 74 -7.600 0.217 -7.082 553 HB2 GLU 74 1HB GLU 74 -8.936 -0.290 -4.417 554 HB3 GLU 74 2HB GLU 74 -8.989 1.235 -5.291 555 HG2 GLU 74 1HG GLU 74 -10.222 -1.389 -6.051 556 HG3 GLU 74 2HG GLU 74 -11.018 0.155 -5.755 557 H ALA 75 H ALA 75 -6.555 -0.968 -3.906 558 HA ALA 75 HA ALA 75 -5.259 1.326 -3.006 559 HB1 ALA 75 1HB ALA 75 -5.195 -1.535 -2.352 560 HB2 ALA 75 2HB ALA 75 -3.735 -0.640 -1.927 561 HB3 ALA 75 3HB ALA 75 -5.299 -0.127 -1.294 562 H ILE 76 H ILE 76 -3.972 -1.389 -4.903 563 HA ILE 76 HA ILE 76 -1.317 -0.656 -5.044 564 HB ILE 76 HB ILE 76 -2.987 -1.905 -7.229 565 HG12 ILE 76 1HG1 ILE 76 -1.105 -3.340 -5.377 566 HG13 ILE 76 2HG1 ILE 76 -2.761 -3.006 -4.885 567 HG21 ILE 76 1HG2 ILE 76 -0.488 -2.859 -7.606 568 HG22 ILE 76 2HG2 ILE 76 -1.157 -1.473 -8.465 569 HG23 ILE 76 3HG2 ILE 76 -0.132 -1.224 -7.051 570 HD11 ILE 76 1HD1 ILE 76 -3.373 -4.864 -5.910 571 HD12 ILE 76 2HD1 ILE 76 -2.925 -4.123 -7.447 572 HD13 ILE 76 3HD1 ILE 76 -1.749 -5.090 -6.558 573 H ASP 77 H ASP 77 -3.832 0.166 -7.441 574 HA ASP 77 HA ASP 77 -2.403 1.774 -9.119 575 HB2 ASP 77 1HB ASP 77 -4.874 1.128 -9.243 576 HB3 ASP 77 2HB ASP 77 -5.179 2.524 -8.213 577 H HIS 78 H HIS 78 -3.719 2.622 -5.964 578 HA HIS 78 HA HIS 78 -3.067 5.394 -6.136 579 HB2 HIS 78 1HB HIS 78 -4.817 4.605 -4.626 580 HB3 HIS 78 2HB HIS 78 -3.638 3.656 -3.726 581 HD1 HIS 78 1HD HIS 78 -5.388 6.719 -3.504 582 HD2 HIS 78 2HD HIS 78 -1.486 5.553 -2.682 583 HE1 HIS 78 1HE HIS 78 -4.477 8.470 -1.946 584 H ILE 79 H ILE 79 -1.481 2.555 -4.756 585 HA ILE 79 HA ILE 79 0.625 3.883 -3.461 586 HB ILE 79 HB ILE 79 0.583 1.115 -4.668 587 HG12 ILE 79 1HG1 ILE 79 0.149 2.034 -1.817 588 HG13 ILE 79 2HG1 ILE 79 -1.127 1.538 -2.923 589 HG21 ILE 79 1HG2 ILE 79 2.583 2.532 -2.950 590 HG22 ILE 79 2HG2 ILE 79 2.405 0.780 -2.865 591 HG23 ILE 79 3HG2 ILE 79 2.846 1.548 -4.390 592 HD11 ILE 79 1HD1 ILE 79 -0.843 -0.405 -1.802 593 HD12 ILE 79 2HD1 ILE 79 0.371 -0.644 -3.059 594 HD13 ILE 79 3HD1 ILE 79 0.857 -0.090 -1.457 595 H LEU 80 H LEU 80 0.662 2.216 -6.618 596 HA LEU 80 HA LEU 80 3.218 3.029 -7.387 597 HB2 LEU 80 1HB LEU 80 0.795 2.070 -8.822 598 HB3 LEU 80 2HB LEU 80 2.105 2.768 -9.772 599 HG LEU 80 HG LEU 80 2.581 0.513 -7.844 600 HD11 LEU 80 1HD1 LEU 80 0.800 0.192 -9.806 601 HD12 LEU 80 2HD1 LEU 80 1.926 -1.074 -9.318 602 HD13 LEU 80 3HD1 LEU 80 2.281 -0.074 -10.727 603 HD21 LEU 80 1HD2 LEU 80 4.674 0.607 -8.584 604 HD22 LEU 80 2HD2 LEU 80 4.254 2.123 -9.380 605 HD23 LEU 80 3HD2 LEU 80 4.147 0.601 -10.267 606 H ASN 81 H ASN 81 0.139 4.674 -7.573 607 HA ASN 81 HA ASN 81 0.750 6.668 -9.422 608 HB2 ASN 81 1HB ASN 81 -1.484 6.683 -8.869 609 HB3 ASN 81 2HB ASN 81 -1.172 6.420 -7.156 610 HD21 ASN 81 1HD2 ASN 81 -2.597 8.084 -6.613 611 HD22 ASN 81 2HD2 ASN 81 -2.165 9.746 -6.799 612 H LEU 82 H LEU 82 1.207 6.633 -5.900 613 HA LEU 82 HA LEU 82 2.421 9.226 -5.847 614 HB2 LEU 82 1HB LEU 82 2.422 7.037 -3.774 615 HB3 LEU 82 2HB LEU 82 2.921 8.706 -3.507 616 HG LEU 82 HG LEU 82 0.126 7.841 -4.244 617 HD11 LEU 82 1HD1 LEU 82 0.668 7.030 -2.040 618 HD12 LEU 82 2HD1 LEU 82 -0.413 8.417 -1.905 619 HD13 LEU 82 3HD1 LEU 82 1.309 8.607 -1.580 620 HD21 LEU 82 1HD2 LEU 82 1.400 10.483 -3.622 621 HD22 LEU 82 2HD2 LEU 82 -0.323 10.211 -3.360 622 HD23 LEU 82 3HD2 LEU 82 0.361 10.042 -4.977 623 H GLU 83 H GLU 83 3.543 5.949 -6.191 624 HA GLU 83 HA GLU 83 6.208 6.197 -5.458 625 HB2 GLU 83 1HB GLU 83 5.213 4.047 -6.001 626 HB3 GLU 83 2HB GLU 83 4.994 4.540 -7.675 627 HG2 GLU 83 1HG GLU 83 7.613 4.891 -7.525 628 HG3 GLU 83 2HG GLU 83 7.447 3.685 -6.250 629 H GLU 84 H GLU 84 4.660 6.916 -8.564 630 HA GLU 84 HA GLU 84 7.046 7.609 -9.924 631 HB2 GLU 84 1HB GLU 84 4.672 7.059 -10.853 632 HB3 GLU 84 2HB GLU 84 4.376 8.777 -10.632 633 HG2 GLU 84 1HG GLU 84 5.042 8.584 -12.851 634 HG3 GLU 84 2HG GLU 84 6.486 9.146 -12.011 635 H GLU 85 H GLU 85 4.560 9.563 -8.304 636 HA GLU 85 HA GLU 85 5.520 12.091 -8.864 637 HB2 GLU 85 1HB GLU 85 3.404 11.819 -7.765 638 HB3 GLU 85 2HB GLU 85 4.162 11.045 -6.380 639 HG2 GLU 85 1HG GLU 85 3.604 13.258 -5.746 640 HG3 GLU 85 2HG GLU 85 5.355 13.186 -5.928 641 H TYR 86 H TYR 86 6.352 10.031 -6.082 642 HA TYR 86 HA TYR 86 8.200 11.781 -4.912 643 HB2 TYR 86 1HB TYR 86 7.903 8.783 -4.796 644 HB3 TYR 86 2HB TYR 86 9.133 9.641 -3.874 645 HD1 TYR 86 2HD TYR 86 7.967 11.879 -2.692 646 HD2 TYR 86 1HD TYR 86 6.101 8.146 -3.520 647 HE1 TYR 86 2HE TYR 86 6.334 12.306 -0.904 648 HE2 TYR 86 1HE TYR 86 4.461 8.563 -1.735 649 HH TYR 86 HH TYR 86 3.504 10.766 -0.594 650 H LEU 87 H LEU 87 8.780 8.984 -7.043 651 HA LEU 87 HA LEU 87 11.526 9.154 -7.247 652 HB2 LEU 87 1HB LEU 87 9.405 8.232 -9.145 653 HB3 LEU 87 2HB LEU 87 11.098 8.237 -9.634 654 HG LEU 87 HG LEU 87 10.170 6.798 -7.165 655 HD11 LEU 87 1HD1 LEU 87 9.540 4.947 -8.315 656 HD12 LEU 87 2HD1 LEU 87 10.600 5.294 -9.680 657 HD13 LEU 87 3HD1 LEU 87 9.076 6.163 -9.505 658 HD21 LEU 87 1HD2 LEU 87 12.432 5.951 -8.893 659 HD22 LEU 87 2HD2 LEU 87 12.236 5.836 -7.144 660 HD23 LEU 87 3HD2 LEU 87 12.648 7.383 -7.885 661 H ALA 88 H ALA 88 9.067 10.890 -9.108 662 HA ALA 88 HA ALA 88 10.533 12.106 -11.054 663 HB1 ALA 88 1HB ALA 88 8.134 12.417 -10.819 664 HB2 ALA 88 2HB ALA 88 8.386 13.401 -9.377 665 HB3 ALA 88 3HB ALA 88 8.950 13.975 -10.946 666 H ASP 89 H ASP 89 10.722 12.663 -7.641 667 HA ASP 89 HA ASP 89 12.340 15.071 -8.006 668 HB2 ASP 89 1HB ASP 89 10.479 14.725 -6.201 669 HB3 ASP 89 2HB ASP 89 11.737 13.847 -5.335 670 H SER 90 H SER 90 13.765 13.237 -9.124 671 HA SER 90 HA SER 90 15.506 11.951 -7.161 672 HB2 SER 90 1HB SER 90 14.771 10.569 -9.031 673 HB3 SER 90 2HB SER 90 15.418 11.739 -10.181 674 HG SER 90 HG SER 90 16.678 9.705 -9.148 675 H GLY 91 H GLY 91 15.732 14.176 -9.929 676 HA2 GLY 91 1HA GLY 91 18.035 15.444 -8.648 677 HA3 GLY 91 2HA GLY 91 18.278 14.776 -10.256 678 HA PRO 92 HA PRO 92 17.034 18.658 -11.895 679 HB2 PRO 92 1HB PRO 92 16.350 17.871 -14.401 680 HB3 PRO 92 2HB PRO 92 18.026 17.982 -13.853 681 HG2 PRO 92 1HG PRO 92 16.259 15.575 -14.070 682 HG3 PRO 92 2HG PRO 92 17.964 15.756 -14.523 683 HD2 PRO 92 1HD PRO 92 17.187 14.575 -12.213 684 HD3 PRO 92 2HD PRO 92 18.697 15.497 -12.353 685 H SER 93 H SER 93 15.204 19.612 -11.267 686 HA SER 93 HA SER 93 12.647 18.429 -12.126 687 HB2 SER 93 1HB SER 93 12.900 18.087 -9.721 688 HB3 SER 93 2HB SER 93 13.232 19.804 -9.491 689 HG SER 93 HG SER 93 11.078 20.124 -10.461 690 H SER 94 H SER 94 12.350 19.749 -13.881 691 HA SER 94 HA SER 94 11.584 22.486 -13.283 692 HB2 SER 94 1HB SER 94 13.921 21.751 -15.002 693 HB3 SER 94 2HB SER 94 12.938 23.144 -15.452 694 HG SER 94 HG SER 94 14.858 23.098 -13.695 695 H GLY 95 H GLY 95 9.813 23.046 -14.390 696 HA2 GLY 95 1HA GLY 95 9.258 21.763 -16.965 697 HA3 GLY 95 2HA GLY 95 8.082 21.552 -15.676 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -30.087 5.354 -19.533 2 HA2 GLY 1 1HA GLY 1 -30.557 6.693 -17.701 3 HA3 GLY 1 2HA GLY 1 -31.154 5.271 -16.858 4 H SER 2 H SER 2 -29.990 4.576 -15.197 5 HA SER 2 HA SER 2 -27.103 5.124 -15.165 6 HB2 SER 2 1HB SER 2 -28.551 6.743 -13.747 7 HB3 SER 2 2HB SER 2 -28.752 5.369 -12.659 8 HG SER 2 HG SER 2 -26.657 7.026 -12.912 9 H SER 3 H SER 3 -29.669 3.462 -13.326 10 HA SER 3 HA SER 3 -29.633 1.476 -12.180 11 HB2 SER 3 1HB SER 3 -29.045 -0.457 -13.620 12 HB3 SER 3 2HB SER 3 -30.070 0.711 -14.454 13 HG SER 3 HG SER 3 -28.250 1.488 -15.522 14 H GLY 4 H GLY 4 -27.547 3.048 -11.322 15 HA2 GLY 4 1HA GLY 4 -25.338 1.106 -11.035 16 HA3 GLY 4 2HA GLY 4 -25.109 2.848 -11.017 17 H SER 5 H SER 5 -25.126 0.234 -9.095 18 HA SER 5 HA SER 5 -26.518 1.384 -6.826 19 HB2 SER 5 1HB SER 5 -25.003 -1.193 -7.241 20 HB3 SER 5 2HB SER 5 -25.611 -0.702 -5.660 21 HG SER 5 HG SER 5 -27.046 -2.075 -6.911 22 H SER 6 H SER 6 -25.230 1.140 -4.650 23 HA SER 6 HA SER 6 -22.434 1.810 -4.812 24 HB2 SER 6 1HB SER 6 -23.479 3.986 -5.331 25 HB3 SER 6 2HB SER 6 -24.392 3.899 -3.825 26 HG SER 6 HG SER 6 -21.587 3.688 -3.796 27 H GLY 7 H GLY 7 -21.436 1.051 -3.058 28 HA2 GLY 7 1HA GLY 7 -22.177 1.320 -0.416 29 HA3 GLY 7 2HA GLY 7 -22.937 -0.169 -0.958 30 H ARG 8 H ARG 8 -20.226 1.116 0.448 31 HA ARG 8 HA ARG 8 -18.309 -0.764 -0.627 32 HB2 ARG 8 1HB ARG 8 -18.245 1.481 1.329 33 HB3 ARG 8 2HB ARG 8 -17.007 0.239 1.472 34 HG2 ARG 8 1HG ARG 8 -17.553 1.573 -1.151 35 HG3 ARG 8 2HG ARG 8 -16.507 2.321 0.058 36 HD2 ARG 8 1HD ARG 8 -15.318 0.018 0.088 37 HD3 ARG 8 2HD ARG 8 -16.127 -0.232 -1.458 38 HE ARG 8 HE ARG 8 -14.834 2.254 -1.510 39 HH11 ARG 8 1HH1 ARG 8 -14.082 -1.145 -1.433 40 HH12 ARG 8 2HH1 ARG 8 -12.575 -0.963 -2.268 41 HH21 ARG 8 1HH2 ARG 8 -12.852 2.505 -2.611 42 HH22 ARG 8 2HH2 ARG 8 -11.876 1.113 -2.937 43 H ILE 9 H ILE 9 -16.881 -1.764 1.329 44 HA ILE 9 HA ILE 9 -18.373 -2.801 3.526 45 HB ILE 9 HB ILE 9 -17.941 -5.251 2.646 46 HG12 ILE 9 1HG1 ILE 9 -18.629 -3.857 0.062 47 HG13 ILE 9 2HG1 ILE 9 -16.972 -4.273 0.487 48 HG21 ILE 9 1HG2 ILE 9 -20.155 -3.614 2.960 49 HG22 ILE 9 2HG2 ILE 9 -20.358 -4.316 1.356 50 HG23 ILE 9 3HG2 ILE 9 -20.161 -5.366 2.760 51 HD11 ILE 9 1HD1 ILE 9 -18.900 -5.883 -0.763 52 HD12 ILE 9 2HD1 ILE 9 -17.272 -6.330 -0.252 53 HD13 ILE 9 3HD1 ILE 9 -18.635 -6.562 0.842 54 H VAL 10 H VAL 10 -17.075 -4.791 4.475 55 HA VAL 10 HA VAL 10 -14.224 -4.054 4.349 56 HB VAL 10 HB VAL 10 -15.802 -5.209 6.651 57 HG11 VAL 10 1HG1 VAL 10 -13.001 -5.362 6.063 58 HG12 VAL 10 2HG1 VAL 10 -13.258 -4.377 7.504 59 HG13 VAL 10 3HG1 VAL 10 -13.890 -6.022 7.435 60 HG21 VAL 10 1HG2 VAL 10 -14.300 -2.618 6.652 61 HG22 VAL 10 2HG2 VAL 10 -15.941 -2.706 6.012 62 HG23 VAL 10 3HG2 VAL 10 -15.626 -3.139 7.692 63 H GLY 11 H GLY 11 -16.517 -6.725 4.483 64 HA2 GLY 11 1HA GLY 11 -16.280 -8.843 3.561 65 HA3 GLY 11 2HA GLY 11 -14.617 -8.447 3.153 66 H GLU 12 H GLU 12 -14.632 -10.836 3.937 67 HA GLU 12 HA GLU 12 -14.367 -10.976 6.852 68 HB2 GLU 12 1HB GLU 12 -14.858 -12.972 4.696 69 HB3 GLU 12 2HB GLU 12 -14.013 -13.515 6.139 70 HG2 GLU 12 1HG GLU 12 -15.895 -12.639 7.501 71 HG3 GLU 12 2HG GLU 12 -16.751 -12.277 6.003 72 H LEU 13 H LEU 13 -12.508 -11.942 7.817 73 HA LEU 13 HA LEU 13 -10.065 -11.011 6.805 74 HB2 LEU 13 1HB LEU 13 -10.771 -12.976 8.960 75 HB3 LEU 13 2HB LEU 13 -9.095 -12.603 8.565 76 HG LEU 13 HG LEU 13 -9.863 -10.132 8.980 77 HD11 LEU 13 1HD1 LEU 13 -11.967 -11.764 10.371 78 HD12 LEU 13 2HD1 LEU 13 -12.180 -10.400 9.274 79 HD13 LEU 13 3HD1 LEU 13 -11.530 -10.136 10.892 80 HD21 LEU 13 1HD2 LEU 13 -8.314 -11.779 10.319 81 HD22 LEU 13 2HD2 LEU 13 -9.651 -11.757 11.469 82 HD23 LEU 13 3HD2 LEU 13 -8.842 -10.253 11.028 83 H GLU 14 H GLU 14 -11.415 -14.299 6.902 84 HA GLU 14 HA GLU 14 -9.220 -15.548 5.637 85 HB2 GLU 14 1HB GLU 14 -12.082 -16.309 6.105 86 HB3 GLU 14 2HB GLU 14 -11.068 -17.306 5.072 87 HG2 GLU 14 1HG GLU 14 -10.451 -16.592 7.930 88 HG3 GLU 14 2HG GLU 14 -11.161 -18.112 7.389 89 H GLN 15 H GLN 15 -11.981 -13.814 4.429 90 HA GLN 15 HA GLN 15 -11.821 -14.772 1.745 91 HB2 GLN 15 1HB GLN 15 -13.280 -12.577 3.145 92 HB3 GLN 15 2HB GLN 15 -13.160 -12.518 1.391 93 HG2 GLN 15 1HG GLN 15 -14.059 -15.050 2.656 94 HG3 GLN 15 2HG GLN 15 -15.178 -13.689 2.605 95 HE21 GLN 15 1HE2 GLN 15 -15.736 -12.811 0.544 96 HE22 GLN 15 2HE2 GLN 15 -15.668 -13.800 -0.871 97 H MET 16 H MET 16 -10.001 -12.554 3.563 98 HA MET 16 HA MET 16 -9.242 -10.756 1.503 99 HB2 MET 16 1HB MET 16 -7.704 -11.489 4.000 100 HB3 MET 16 2HB MET 16 -7.481 -10.046 3.019 101 HG2 MET 16 1HG MET 16 -9.903 -9.496 3.571 102 HG3 MET 16 2HG MET 16 -9.784 -10.752 4.800 103 HE1 MET 16 1HE MET 16 -9.972 -7.001 5.303 104 HE2 MET 16 2HE MET 16 -10.795 -8.502 5.725 105 HE3 MET 16 3HE MET 16 -9.812 -7.667 6.929 106 H VAL 17 H VAL 17 -7.156 -10.602 0.473 107 HA VAL 17 HA VAL 17 -5.728 -13.161 0.227 108 HB VAL 17 HB VAL 17 -5.534 -12.902 -2.173 109 HG11 VAL 17 1HG1 VAL 17 -8.273 -12.686 -2.476 110 HG12 VAL 17 2HG1 VAL 17 -7.373 -14.163 -2.127 111 HG13 VAL 17 3HG1 VAL 17 -8.076 -13.225 -0.809 112 HG21 VAL 17 1HG2 VAL 17 -6.121 -10.230 -1.677 113 HG22 VAL 17 2HG2 VAL 17 -5.893 -10.987 -3.254 114 HG23 VAL 17 3HG2 VAL 17 -7.514 -10.833 -2.576 115 H SER 18 H SER 18 -3.529 -13.003 -0.395 116 HA SER 18 HA SER 18 -2.353 -10.384 0.223 117 HB2 SER 18 1HB SER 18 -0.413 -11.512 0.965 118 HB3 SER 18 2HB SER 18 -1.751 -12.493 1.560 119 HG SER 18 HG SER 18 0.214 -13.130 -0.211 120 H GLU 19 H GLU 19 -1.520 -9.219 -1.369 121 HA GLU 19 HA GLU 19 -0.636 -10.608 -3.814 122 HB2 GLU 19 1HB GLU 19 -2.262 -8.134 -3.439 123 HB3 GLU 19 2HB GLU 19 -1.175 -8.216 -4.819 124 HG2 GLU 19 1HG GLU 19 -3.501 -10.002 -4.183 125 HG3 GLU 19 2HG GLU 19 -3.284 -8.944 -5.576 126 H ASP 20 H ASP 20 0.987 -9.362 -5.087 127 HA ASP 20 HA ASP 20 2.847 -7.969 -3.275 128 HB2 ASP 20 1HB ASP 20 3.770 -9.296 -5.795 129 HB3 ASP 20 2HB ASP 20 4.656 -8.995 -4.303 130 H VAL 21 H VAL 21 3.305 -5.921 -3.729 131 HA VAL 21 HA VAL 21 2.742 -4.932 -6.450 132 HB VAL 21 HB VAL 21 2.706 -3.120 -4.066 133 HG11 VAL 21 1HG1 VAL 21 2.607 -1.913 -6.051 134 HG12 VAL 21 2HG1 VAL 21 1.576 -3.108 -6.841 135 HG13 VAL 21 3HG1 VAL 21 0.913 -2.059 -5.587 136 HG21 VAL 21 1HG2 VAL 21 0.272 -3.488 -3.870 137 HG22 VAL 21 2HG2 VAL 21 0.407 -4.836 -4.999 138 HG23 VAL 21 3HG2 VAL 21 1.213 -4.914 -3.433 139 HA PRO 22 HA PRO 22 7.095 -4.028 -6.484 140 HB2 PRO 22 1HB PRO 22 7.115 -2.781 -8.895 141 HB3 PRO 22 2HB PRO 22 7.020 -4.537 -8.723 142 HG2 PRO 22 1HG PRO 22 4.828 -2.564 -9.233 143 HG3 PRO 22 2HG PRO 22 5.101 -4.149 -9.978 144 HD2 PRO 22 1HD PRO 22 3.296 -3.762 -7.998 145 HD3 PRO 22 2HD PRO 22 4.186 -5.286 -8.194 146 H LEU 23 H LEU 23 7.364 -2.499 -4.880 147 HA LEU 23 HA LEU 23 6.884 0.298 -5.673 148 HB2 LEU 23 1HB LEU 23 5.425 -0.402 -3.839 149 HB3 LEU 23 2HB LEU 23 6.836 -0.884 -2.899 150 HG LEU 23 HG LEU 23 7.547 1.575 -3.063 151 HD11 LEU 23 1HD1 LEU 23 5.684 1.930 -4.847 152 HD12 LEU 23 2HD1 LEU 23 6.024 3.192 -3.664 153 HD13 LEU 23 3HD1 LEU 23 4.638 2.124 -3.441 154 HD21 LEU 23 1HD2 LEU 23 6.446 2.076 -1.059 155 HD22 LEU 23 2HD2 LEU 23 6.546 0.315 -1.076 156 HD23 LEU 23 3HD2 LEU 23 5.031 1.117 -1.492 157 H ASP 24 H ASP 24 8.656 1.479 -5.903 158 HA ASP 24 HA ASP 24 11.244 0.531 -5.560 159 HB2 ASP 24 1HB ASP 24 10.428 2.552 -6.916 160 HB3 ASP 24 2HB ASP 24 10.545 3.458 -5.411 161 H HIS 25 H HIS 25 12.719 0.571 -3.944 162 HA HIS 25 HA HIS 25 11.764 0.964 -1.270 163 HB2 HIS 25 1HB HIS 25 13.816 0.045 -0.554 164 HB3 HIS 25 2HB HIS 25 13.448 -0.795 -2.058 165 HD1 HIS 25 1HD HIS 25 15.866 1.586 -0.525 166 HD2 HIS 25 2HD HIS 25 15.162 -0.196 -4.212 167 HE1 HIS 25 1HE HIS 25 17.941 2.008 -1.883 168 H ARG 26 H ARG 26 13.265 2.944 -3.599 169 HA ARG 26 HA ARG 26 14.668 4.696 -1.846 170 HB2 ARG 26 1HB ARG 26 13.648 5.115 -4.661 171 HB3 ARG 26 2HB ARG 26 14.715 6.224 -3.809 172 HG2 ARG 26 1HG ARG 26 16.276 4.193 -3.563 173 HG3 ARG 26 2HG ARG 26 15.292 3.478 -4.842 174 HD2 ARG 26 1HD ARG 26 16.526 6.205 -5.104 175 HD3 ARG 26 2HD ARG 26 17.396 4.737 -5.546 176 HE ARG 26 HE ARG 26 15.272 5.995 -7.007 177 HH11 ARG 26 1HH1 ARG 26 16.904 2.985 -6.376 178 HH12 ARG 26 2HH1 ARG 26 16.448 2.271 -7.887 179 HH21 ARG 26 1HH2 ARG 26 14.665 5.065 -8.999 180 HH22 ARG 26 2HH2 ARG 26 15.175 3.455 -9.379 181 H VAL 27 H VAL 27 11.372 4.296 -2.647 182 HA VAL 27 HA VAL 27 10.734 6.897 -1.413 183 HB VAL 27 HB VAL 27 8.850 7.159 -2.758 184 HG11 VAL 27 1HG1 VAL 27 11.066 7.342 -3.963 185 HG12 VAL 27 2HG1 VAL 27 10.713 5.761 -4.662 186 HG13 VAL 27 3HG1 VAL 27 9.645 7.128 -4.984 187 HG21 VAL 27 1HG2 VAL 27 9.049 4.206 -3.167 188 HG22 VAL 27 2HG2 VAL 27 7.669 5.177 -2.653 189 HG23 VAL 27 3HG2 VAL 27 8.181 5.197 -4.340 190 H HIS 28 H HIS 28 11.027 3.909 -0.513 191 HA HIS 28 HA HIS 28 8.482 3.119 0.440 192 HB2 HIS 28 1HB HIS 28 11.300 2.301 0.956 193 HB3 HIS 28 2HB HIS 28 10.078 1.811 2.125 194 HD2 HIS 28 2HD HIS 28 8.619 1.751 -1.378 195 HE1 HIS 28 1HE HIS 28 9.943 -2.195 -0.557 196 HE2 HIS 28 2HE HIS 28 8.672 -0.717 -2.152 197 H ALA 29 H ALA 29 11.277 4.387 2.264 198 HA ALA 29 HA ALA 29 9.874 4.822 4.655 199 HB1 ALA 29 1HB ALA 29 12.058 6.688 4.274 200 HB2 ALA 29 2HB ALA 29 11.884 5.374 5.438 201 HB3 ALA 29 3HB ALA 29 12.503 5.043 3.820 202 H ARG 30 H ARG 30 10.154 6.723 1.757 203 HA ARG 30 HA ARG 30 9.345 9.212 2.858 204 HB2 ARG 30 1HB ARG 30 9.187 8.166 0.026 205 HB3 ARG 30 2HB ARG 30 8.885 9.834 0.493 206 HG2 ARG 30 1HG ARG 30 11.480 8.518 1.179 207 HG3 ARG 30 2HG ARG 30 11.202 9.178 -0.434 208 HD2 ARG 30 1HD ARG 30 10.831 10.749 2.110 209 HD3 ARG 30 2HD ARG 30 12.324 10.741 1.173 210 HE ARG 30 HE ARG 30 10.386 11.416 -0.629 211 HH11 ARG 30 1HH1 ARG 30 11.458 12.681 2.432 212 HH12 ARG 30 2HH1 ARG 30 11.025 14.316 2.056 213 HH21 ARG 30 1HH2 ARG 30 9.812 13.564 -1.136 214 HH22 ARG 30 2HH2 ARG 30 10.089 14.817 0.026 215 H ILE 31 H ILE 31 7.590 6.618 1.185 216 HA ILE 31 HA ILE 31 5.055 7.934 1.413 217 HB ILE 31 HB ILE 31 5.862 5.153 0.599 218 HG12 ILE 31 1HG1 ILE 31 4.458 7.353 -0.929 219 HG13 ILE 31 2HG1 ILE 31 6.198 7.091 -0.958 220 HG21 ILE 31 1HG2 ILE 31 3.253 5.290 -0.118 221 HG22 ILE 31 2HG2 ILE 31 3.846 4.487 1.335 222 HG23 ILE 31 3HG2 ILE 31 3.222 6.133 1.431 223 HD11 ILE 31 1HD1 ILE 31 5.680 4.752 -1.780 224 HD12 ILE 31 2HD1 ILE 31 4.030 5.322 -2.032 225 HD13 ILE 31 3HD1 ILE 31 5.367 6.079 -2.898 226 H ILE 32 H ILE 32 6.762 5.417 3.195 227 HA ILE 32 HA ILE 32 4.770 4.416 4.802 228 HB ILE 32 HB ILE 32 7.670 4.946 5.394 229 HG12 ILE 32 1HG1 ILE 32 6.244 2.301 5.200 230 HG13 ILE 32 2HG1 ILE 32 6.811 3.142 3.762 231 HG21 ILE 32 1HG2 ILE 32 5.522 4.161 7.250 232 HG22 ILE 32 2HG2 ILE 32 6.988 3.184 7.314 233 HG23 ILE 32 3HG2 ILE 32 7.079 4.926 7.570 234 HD11 ILE 32 1HD1 ILE 32 8.755 2.741 5.956 235 HD12 ILE 32 2HD1 ILE 32 8.271 1.328 5.017 236 HD13 ILE 32 3HD1 ILE 32 8.990 2.721 4.208 237 H GLY 33 H GLY 33 6.829 7.242 5.518 238 HA2 GLY 33 1HA GLY 33 5.911 9.262 6.428 239 HA3 GLY 33 2HA GLY 33 4.626 8.307 7.153 240 H ALA 34 H ALA 34 6.341 10.247 8.443 241 HA ALA 34 HA ALA 34 8.473 9.361 9.871 242 HB1 ALA 34 1HB ALA 34 8.017 11.007 11.476 243 HB2 ALA 34 2HB ALA 34 7.293 11.618 9.988 244 HB3 ALA 34 3HB ALA 34 6.274 10.889 11.229 245 H ARG 35 H ARG 35 5.171 9.202 11.220 246 HA ARG 35 HA ARG 35 6.030 6.909 12.839 247 HB2 ARG 35 1HB ARG 35 3.971 9.041 13.184 248 HB3 ARG 35 2HB ARG 35 3.687 7.477 13.936 249 HG2 ARG 35 1HG ARG 35 4.721 8.699 15.608 250 HG3 ARG 35 2HG ARG 35 6.045 7.757 14.920 251 HD2 ARG 35 1HD ARG 35 6.896 9.614 13.751 252 HD3 ARG 35 2HD ARG 35 5.416 10.542 13.988 253 HE ARG 35 HE ARG 35 6.241 10.193 16.506 254 HH11 ARG 35 1HH1 ARG 35 7.943 11.211 13.645 255 HH12 ARG 35 2HH1 ARG 35 9.068 12.205 14.510 256 HH21 ARG 35 1HH2 ARG 35 7.716 11.499 17.656 257 HH22 ARG 35 2HH2 ARG 35 8.938 12.368 16.791 258 H GLY 36 H GLY 36 5.206 6.856 9.964 259 HA2 GLY 36 1HA GLY 36 4.122 5.313 8.639 260 HA3 GLY 36 2HA GLY 36 3.600 4.501 10.108 261 H LYS 37 H LYS 37 2.954 7.849 9.188 262 HA LYS 37 HA LYS 37 0.104 7.343 9.505 263 HB2 LYS 37 1HB LYS 37 1.775 9.835 9.294 264 HB3 LYS 37 2HB LYS 37 0.023 9.898 9.152 265 HG2 LYS 37 1HG LYS 37 1.332 8.591 11.505 266 HG3 LYS 37 2HG LYS 37 1.091 10.339 11.443 267 HD2 LYS 37 1HD LYS 37 -1.203 8.519 10.858 268 HD3 LYS 37 2HD LYS 37 -0.715 8.787 12.533 269 HE2 LYS 37 1HE LYS 37 -1.092 11.130 12.349 270 HE3 LYS 37 2HE LYS 37 -1.289 11.024 10.601 271 HZ1 LYS 37 1HZ LYS 37 -3.410 10.367 10.796 272 HZ2 LYS 37 2HZ LYS 37 -3.318 11.061 12.336 273 HZ3 LYS 37 3HZ LYS 37 -3.114 9.392 12.147 274 H ALA 38 H ALA 38 2.212 8.926 7.102 275 HA ALA 38 HA ALA 38 0.427 9.430 5.105 276 HB1 ALA 38 1HB ALA 38 3.298 8.938 5.240 277 HB2 ALA 38 2HB ALA 38 2.590 8.539 3.674 278 HB3 ALA 38 3HB ALA 38 2.396 10.160 4.342 279 H ILE 39 H ILE 39 1.745 6.323 6.039 280 HA ILE 39 HA ILE 39 0.549 4.981 3.755 281 HB ILE 39 HB ILE 39 2.763 4.264 4.621 282 HG12 ILE 39 1HG1 ILE 39 2.243 1.822 4.635 283 HG13 ILE 39 2HG1 ILE 39 0.533 2.223 4.756 284 HG21 ILE 39 1HG2 ILE 39 1.158 3.386 7.017 285 HG22 ILE 39 2HG2 ILE 39 2.829 2.924 6.696 286 HG23 ILE 39 3HG2 ILE 39 2.421 4.616 6.983 287 HD11 ILE 39 1HD1 ILE 39 2.183 3.297 2.511 288 HD12 ILE 39 2HD1 ILE 39 1.535 1.657 2.454 289 HD13 ILE 39 3HD1 ILE 39 0.441 3.034 2.595 290 H ARG 40 H ARG 40 -0.209 5.724 7.025 291 HA ARG 40 HA ARG 40 -1.998 3.610 7.583 292 HB2 ARG 40 1HB ARG 40 -0.950 5.381 9.171 293 HB3 ARG 40 2HB ARG 40 -2.328 6.372 8.712 294 HG2 ARG 40 1HG ARG 40 -2.946 5.315 10.711 295 HG3 ARG 40 2HG ARG 40 -3.787 4.432 9.435 296 HD2 ARG 40 1HD ARG 40 -2.840 2.875 11.026 297 HD3 ARG 40 2HD ARG 40 -2.013 2.727 9.477 298 HE ARG 40 HE ARG 40 -0.078 3.424 10.483 299 HH11 ARG 40 1HH1 ARG 40 -2.774 4.155 12.560 300 HH12 ARG 40 2HH1 ARG 40 -1.783 4.633 13.898 301 HH21 ARG 40 1HH2 ARG 40 1.239 4.050 12.237 302 HH22 ARG 40 2HH2 ARG 40 0.500 4.574 13.713 303 H LYS 41 H LYS 41 -2.498 6.872 6.276 304 HA LYS 41 HA LYS 41 -5.289 6.779 6.092 305 HB2 LYS 41 1HB LYS 41 -5.143 8.712 4.791 306 HB3 LYS 41 2HB LYS 41 -3.679 8.769 5.765 307 HG2 LYS 41 1HG LYS 41 -2.387 7.893 3.893 308 HG3 LYS 41 2HG LYS 41 -3.854 7.810 2.914 309 HD2 LYS 41 1HD LYS 41 -4.112 10.216 3.042 310 HD3 LYS 41 2HD LYS 41 -2.716 10.335 4.115 311 HE2 LYS 41 1HE LYS 41 -1.215 9.780 2.411 312 HE3 LYS 41 2HE LYS 41 -2.483 9.106 1.389 313 HZ1 LYS 41 1HZ LYS 41 -2.927 11.865 1.987 314 HZ2 LYS 41 2HZ LYS 41 -2.873 11.084 0.488 315 HZ3 LYS 41 3HZ LYS 41 -1.442 11.621 1.213 316 H ILE 42 H ILE 42 -2.781 5.667 3.882 317 HA ILE 42 HA ILE 42 -4.430 5.109 1.674 318 HB ILE 42 HB ILE 42 -1.834 3.817 2.514 319 HG12 ILE 42 1HG1 ILE 42 -2.404 5.947 0.442 320 HG13 ILE 42 2HG1 ILE 42 -1.753 6.258 2.047 321 HG21 ILE 42 1HG2 ILE 42 -2.957 2.305 1.041 322 HG22 ILE 42 2HG2 ILE 42 -3.376 3.612 -0.065 323 HG23 ILE 42 3HG2 ILE 42 -1.693 3.120 0.122 324 HD11 ILE 42 1HD1 ILE 42 0.090 6.280 0.609 325 HD12 ILE 42 2HD1 ILE 42 0.148 4.704 1.400 326 HD13 ILE 42 3HD1 ILE 42 -0.455 4.840 -0.251 327 H MET 43 H MET 43 -3.430 3.110 4.423 328 HA MET 43 HA MET 43 -4.635 0.717 3.550 329 HB2 MET 43 1HB MET 43 -3.787 1.747 6.243 330 HB3 MET 43 2HB MET 43 -4.606 0.199 6.085 331 HG2 MET 43 1HG MET 43 -2.817 -0.468 4.459 332 HG3 MET 43 2HG MET 43 -1.964 1.007 4.908 333 HE1 MET 43 1HE MET 43 -0.759 1.470 6.690 334 HE2 MET 43 2HE MET 43 -0.363 0.477 8.092 335 HE3 MET 43 3HE MET 43 0.335 0.098 6.517 336 H ASP 44 H ASP 44 -5.772 3.136 5.910 337 HA ASP 44 HA ASP 44 -8.302 1.962 6.311 338 HB2 ASP 44 1HB ASP 44 -7.188 4.712 6.794 339 HB3 ASP 44 2HB ASP 44 -8.892 4.370 7.078 340 H GLU 45 H GLU 45 -7.065 4.100 3.863 341 HA GLU 45 HA GLU 45 -9.414 5.218 2.882 342 HB2 GLU 45 1HB GLU 45 -7.204 5.920 2.120 343 HB3 GLU 45 2HB GLU 45 -6.950 4.357 1.356 344 HG2 GLU 45 1HG GLU 45 -8.421 4.803 -0.361 345 HG3 GLU 45 2HG GLU 45 -9.287 6.031 0.561 346 H PHE 46 H PHE 46 -7.803 2.217 1.836 347 HA PHE 46 HA PHE 46 -10.302 1.419 0.510 348 HB2 PHE 46 1HB PHE 46 -7.613 0.100 0.158 349 HB3 PHE 46 2HB PHE 46 -9.023 -0.010 -0.890 350 HD1 PHE 46 2HD PHE 46 -9.587 1.797 -2.412 351 HD2 PHE 46 1HD PHE 46 -6.135 1.995 0.070 352 HE1 PHE 46 2HE PHE 46 -8.712 3.644 -3.781 353 HE2 PHE 46 1HE PHE 46 -5.255 3.843 -1.294 354 HZ PHE 46 HZ PHE 46 -6.544 4.670 -3.224 355 H LYS 47 H LYS 47 -8.941 1.086 3.406 356 HA LYS 47 HA LYS 47 -9.154 -0.378 5.133 357 HB2 LYS 47 1HB LYS 47 -11.178 -1.792 3.393 358 HB3 LYS 47 2HB LYS 47 -11.048 -1.872 5.145 359 HG2 LYS 47 1HG LYS 47 -11.502 0.766 3.834 360 HG3 LYS 47 2HG LYS 47 -12.848 -0.362 4.015 361 HD2 LYS 47 1HD LYS 47 -12.319 -0.492 6.449 362 HD3 LYS 47 2HD LYS 47 -11.114 0.776 6.207 363 HE2 LYS 47 1HE LYS 47 -13.173 2.008 5.091 364 HE3 LYS 47 2HE LYS 47 -14.084 0.928 6.145 365 HZ1 LYS 47 1HZ LYS 47 -13.751 2.469 7.697 366 HZ2 LYS 47 2HZ LYS 47 -12.546 3.255 6.809 367 HZ3 LYS 47 3HZ LYS 47 -12.153 1.920 7.772 368 H VAL 48 H VAL 48 -6.959 -0.869 3.751 369 HA VAL 48 HA VAL 48 -6.856 -3.809 3.592 370 HB VAL 48 HB VAL 48 -5.024 -3.514 1.878 371 HG11 VAL 48 1HG1 VAL 48 -7.875 -2.768 1.295 372 HG12 VAL 48 2HG1 VAL 48 -6.682 -2.994 0.015 373 HG13 VAL 48 3HG1 VAL 48 -7.084 -4.331 1.094 374 HG21 VAL 48 1HG2 VAL 48 -6.192 -0.804 1.369 375 HG22 VAL 48 2HG2 VAL 48 -4.837 -1.007 2.479 376 HG23 VAL 48 3HG2 VAL 48 -4.674 -1.490 0.790 377 H ASP 49 H ASP 49 -4.663 -4.693 3.941 378 HA ASP 49 HA ASP 49 -3.163 -3.038 5.863 379 HB2 ASP 49 1HB ASP 49 -3.599 -6.027 5.791 380 HB3 ASP 49 2HB ASP 49 -2.432 -5.240 6.850 381 H ILE 50 H ILE 50 -1.529 -2.207 4.681 382 HA ILE 50 HA ILE 50 -0.132 -3.803 2.715 383 HB ILE 50 HB ILE 50 0.572 -1.043 3.716 384 HG12 ILE 50 1HG1 ILE 50 -0.954 -1.671 1.196 385 HG13 ILE 50 2HG1 ILE 50 -1.779 -1.379 2.723 386 HG21 ILE 50 1HG2 ILE 50 1.762 -2.859 1.808 387 HG22 ILE 50 2HG2 ILE 50 1.315 -1.329 1.055 388 HG23 ILE 50 3HG2 ILE 50 2.383 -1.342 2.458 389 HD11 ILE 50 1HD1 ILE 50 -1.635 0.605 1.252 390 HD12 ILE 50 2HD1 ILE 50 -0.898 0.842 2.837 391 HD13 ILE 50 3HD1 ILE 50 0.119 0.558 1.425 392 H ARG 51 H ARG 51 1.981 -4.517 2.828 393 HA ARG 51 HA ARG 51 3.328 -4.270 5.430 394 HB2 ARG 51 1HB ARG 51 2.099 -6.516 4.962 395 HB3 ARG 51 2HB ARG 51 3.437 -6.828 3.865 396 HG2 ARG 51 1HG ARG 51 4.140 -7.843 5.810 397 HG3 ARG 51 2HG ARG 51 4.924 -6.265 5.907 398 HD2 ARG 51 1HD ARG 51 4.036 -6.480 8.024 399 HD3 ARG 51 2HD ARG 51 2.770 -5.576 7.194 400 HE ARG 51 HE ARG 51 1.966 -8.107 6.840 401 HH11 ARG 51 1HH1 ARG 51 3.038 -6.386 9.670 402 HH12 ARG 51 2HH1 ARG 51 2.064 -7.313 10.762 403 HH21 ARG 51 1HH2 ARG 51 0.679 -9.334 8.268 404 HH22 ARG 51 2HH2 ARG 51 0.723 -8.990 9.964 405 H PHE 52 H PHE 52 5.283 -3.430 5.199 406 HA PHE 52 HA PHE 52 6.541 -3.389 2.579 407 HB2 PHE 52 1HB PHE 52 7.018 -1.960 5.173 408 HB3 PHE 52 2HB PHE 52 8.273 -1.985 3.940 409 HD1 PHE 52 2HD PHE 52 4.838 -0.899 4.698 410 HD2 PHE 52 1HD PHE 52 8.106 -0.660 1.981 411 HE1 PHE 52 2HE PHE 52 3.745 0.985 3.555 412 HE2 PHE 52 1HE PHE 52 7.018 1.225 0.834 413 HZ PHE 52 HZ PHE 52 4.834 2.050 1.620 414 HA PRO 53 HA PRO 53 9.525 -6.526 3.280 415 HB2 PRO 53 1HB PRO 53 11.723 -5.497 2.062 416 HB3 PRO 53 2HB PRO 53 10.321 -6.096 1.168 417 HG2 PRO 53 1HG PRO 53 11.055 -3.282 1.876 418 HG3 PRO 53 2HG PRO 53 10.428 -3.923 0.346 419 HD2 PRO 53 1HD PRO 53 8.857 -2.646 2.143 420 HD3 PRO 53 2HD PRO 53 8.252 -3.953 1.105 421 H GLN 54 H GLN 54 10.309 -6.935 5.250 422 HA GLN 54 HA GLN 54 11.483 -4.949 6.916 423 HB2 GLN 54 1HB GLN 54 11.398 -7.958 7.183 424 HB3 GLN 54 2HB GLN 54 11.966 -6.863 8.436 425 HG2 GLN 54 1HG GLN 54 9.184 -7.045 7.311 426 HG3 GLN 54 2HG GLN 54 9.717 -7.513 8.924 427 HE21 GLN 54 1HE2 GLN 54 7.622 -5.784 8.572 428 HE22 GLN 54 2HE2 GLN 54 8.077 -4.205 9.104 429 H SER 55 H SER 55 13.654 -5.225 7.932 430 HA SER 55 HA SER 55 15.724 -4.830 6.271 431 HB2 SER 55 1HB SER 55 15.719 -4.786 8.830 432 HB3 SER 55 2HB SER 55 16.114 -6.502 8.753 433 HG SER 55 HG SER 55 18.093 -5.873 8.502 434 H GLY 56 H GLY 56 15.048 -8.049 7.668 435 HA2 GLY 56 1HA GLY 56 16.811 -9.307 5.746 436 HA3 GLY 56 2HA GLY 56 15.900 -10.113 7.014 437 H ALA 57 H ALA 57 14.777 -8.007 4.386 438 HA ALA 57 HA ALA 57 12.887 -10.108 3.612 439 HB1 ALA 57 1HB ALA 57 12.954 -7.188 2.856 440 HB2 ALA 57 2HB ALA 57 11.695 -8.343 2.415 441 HB3 ALA 57 3HB ALA 57 11.944 -7.914 4.107 442 HA PRO 58 HA PRO 58 15.120 -11.103 -0.049 443 HB2 PRO 58 1HB PRO 58 13.082 -12.088 -1.547 444 HB3 PRO 58 2HB PRO 58 13.780 -12.964 -0.180 445 HG2 PRO 58 1HG PRO 58 11.282 -11.320 -0.298 446 HG3 PRO 58 2HG PRO 58 11.553 -12.889 0.483 447 HD2 PRO 58 1HD PRO 58 11.535 -10.558 1.862 448 HD3 PRO 58 2HD PRO 58 12.549 -11.938 2.331 449 H ASP 59 H ASP 59 12.021 -9.416 -0.528 450 HA ASP 59 HA ASP 59 13.258 -7.957 -2.771 451 HB2 ASP 59 1HB ASP 59 10.375 -8.735 -2.306 452 HB3 ASP 59 2HB ASP 59 10.880 -7.586 -3.543 453 HA PRO 60 HA PRO 60 12.687 -4.759 0.438 454 HB2 PRO 60 1HB PRO 60 14.718 -3.201 -0.467 455 HB3 PRO 60 2HB PRO 60 14.972 -4.582 0.608 456 HG2 PRO 60 1HG PRO 60 15.309 -4.405 -2.362 457 HG3 PRO 60 2HG PRO 60 16.356 -5.184 -1.161 458 HD2 PRO 60 1HD PRO 60 14.609 -6.575 -2.693 459 HD3 PRO 60 2HD PRO 60 15.028 -7.064 -1.038 460 H ASN 61 H ASN 61 12.184 -4.930 -2.860 461 HA ASN 61 HA ASN 61 11.221 -2.147 -2.970 462 HB2 ASN 61 1HB ASN 61 11.308 -2.714 -5.555 463 HB3 ASN 61 2HB ASN 61 12.747 -2.178 -4.693 464 HD21 ASN 61 1HD2 ASN 61 14.452 -3.527 -4.489 465 HD22 ASN 61 2HD2 ASN 61 14.519 -5.112 -5.174 466 H CYS 62 H CYS 62 10.009 -4.898 -2.173 467 HA CYS 62 HA CYS 62 7.550 -4.560 -3.757 468 HB2 CYS 62 1HB CYS 62 8.876 -6.663 -4.285 469 HB3 CYS 62 2HB CYS 62 8.501 -7.202 -2.653 470 HG CYS 62 HG CYS 62 6.728 -8.583 -4.158 471 H VAL 63 H VAL 63 5.639 -4.563 -2.657 472 HA VAL 63 HA VAL 63 5.807 -4.846 0.274 473 HB VAL 63 HB VAL 63 4.121 -3.128 0.518 474 HG11 VAL 63 1HG1 VAL 63 5.611 -1.457 0.407 475 HG12 VAL 63 2HG1 VAL 63 6.723 -2.695 -0.183 476 HG13 VAL 63 3HG1 VAL 63 5.860 -1.665 -1.326 477 HG21 VAL 63 1HG2 VAL 63 2.699 -3.220 -1.288 478 HG22 VAL 63 2HG2 VAL 63 3.636 -1.776 -1.673 479 HG23 VAL 63 3HG2 VAL 63 4.016 -3.309 -2.458 480 H THR 64 H THR 64 4.528 -6.339 1.139 481 HA THR 64 HA THR 64 2.626 -7.742 -0.532 482 HB THR 64 HB THR 64 3.505 -8.205 2.322 483 HG1 THR 64 1HG THR 64 4.561 -10.000 1.352 484 HG21 THR 64 1HG2 THR 64 2.290 -10.512 1.258 485 HG22 THR 64 2HG2 THR 64 1.185 -9.175 0.939 486 HG23 THR 64 3HG2 THR 64 1.717 -9.506 2.587 487 H VAL 65 H VAL 65 0.700 -6.800 -0.807 488 HA VAL 65 HA VAL 65 -0.554 -5.381 1.422 489 HB VAL 65 HB VAL 65 -1.428 -5.577 -1.464 490 HG11 VAL 65 1HG1 VAL 65 -3.050 -5.025 0.587 491 HG12 VAL 65 2HG1 VAL 65 -2.378 -3.415 0.319 492 HG13 VAL 65 3HG1 VAL 65 -3.208 -4.255 -0.991 493 HG21 VAL 65 1HG2 VAL 65 0.016 -3.379 0.013 494 HG22 VAL 65 2HG2 VAL 65 0.676 -4.390 -1.273 495 HG23 VAL 65 3HG2 VAL 65 -0.624 -3.251 -1.625 496 H THR 66 H THR 66 -2.331 -6.087 2.464 497 HA THR 66 HA THR 66 -3.441 -8.680 1.618 498 HB THR 66 HB THR 66 -3.722 -7.554 4.393 499 HG1 THR 66 1HG THR 66 -1.602 -7.752 4.484 500 HG21 THR 66 1HG2 THR 66 -5.110 -9.497 3.618 501 HG22 THR 66 2HG2 THR 66 -4.095 -9.831 5.021 502 HG23 THR 66 3HG2 THR 66 -3.613 -10.408 3.426 503 H GLY 67 H GLY 67 -5.712 -9.037 1.857 504 HA2 GLY 67 1HA GLY 67 -7.835 -7.881 2.639 505 HA3 GLY 67 2HA GLY 67 -7.262 -6.532 1.669 506 H LEU 68 H LEU 68 -9.732 -7.540 1.172 507 HA LEU 68 HA LEU 68 -10.121 -9.615 -0.546 508 HB2 LEU 68 1HB LEU 68 -11.344 -6.877 -0.487 509 HB3 LEU 68 2HB LEU 68 -11.865 -8.090 -1.654 510 HG LEU 68 HG LEU 68 -13.389 -8.031 0.219 511 HD11 LEU 68 1HD1 LEU 68 -12.701 -10.213 -0.893 512 HD12 LEU 68 2HD1 LEU 68 -13.485 -10.328 0.682 513 HD13 LEU 68 3HD1 LEU 68 -11.737 -10.516 0.552 514 HD21 LEU 68 1HD2 LEU 68 -11.040 -8.747 1.969 515 HD22 LEU 68 2HD2 LEU 68 -12.710 -8.495 2.477 516 HD23 LEU 68 3HD2 LEU 68 -11.759 -7.140 1.867 517 HA PRO 69 HA PRO 69 -7.888 -8.870 -4.254 518 HB2 PRO 69 1HB PRO 69 -9.490 -10.119 -6.055 519 HB3 PRO 69 2HB PRO 69 -8.491 -10.994 -4.889 520 HG2 PRO 69 1HG PRO 69 -11.410 -10.342 -4.769 521 HG3 PRO 69 2HG PRO 69 -10.584 -11.856 -4.356 522 HD2 PRO 69 1HD PRO 69 -11.381 -10.073 -2.480 523 HD3 PRO 69 2HD PRO 69 -9.934 -11.084 -2.284 524 H GLU 70 H GLU 70 -11.170 -7.801 -3.917 525 HA GLU 70 HA GLU 70 -11.147 -6.274 -6.381 526 HB2 GLU 70 1HB GLU 70 -13.385 -5.509 -5.641 527 HB3 GLU 70 2HB GLU 70 -13.245 -7.260 -5.699 528 HG2 GLU 70 1HG GLU 70 -12.923 -7.314 -3.277 529 HG3 GLU 70 2HG GLU 70 -13.077 -5.558 -3.222 530 H ASN 71 H ASN 71 -10.521 -5.788 -3.001 531 HA ASN 71 HA ASN 71 -10.578 -2.894 -3.223 532 HB2 ASN 71 1HB ASN 71 -9.896 -4.746 -0.933 533 HB3 ASN 71 2HB ASN 71 -9.842 -2.990 -0.818 534 HD21 ASN 71 1HD2 ASN 71 -11.470 -4.788 0.701 535 HD22 ASN 71 2HD2 ASN 71 -13.117 -4.383 0.371 536 H VAL 72 H VAL 72 -8.178 -5.447 -2.637 537 HA VAL 72 HA VAL 72 -5.899 -3.975 -2.282 538 HB VAL 72 HB VAL 72 -6.150 -6.504 -3.917 539 HG11 VAL 72 1HG1 VAL 72 -3.960 -4.868 -3.751 540 HG12 VAL 72 2HG1 VAL 72 -3.667 -6.030 -2.456 541 HG13 VAL 72 3HG1 VAL 72 -3.923 -6.594 -4.108 542 HG21 VAL 72 1HG2 VAL 72 -6.270 -7.677 -2.010 543 HG22 VAL 72 2HG2 VAL 72 -5.090 -6.652 -1.193 544 HG23 VAL 72 3HG2 VAL 72 -6.779 -6.153 -1.281 545 H GLU 73 H GLU 73 -7.167 -5.078 -5.430 546 HA GLU 73 HA GLU 73 -5.324 -3.991 -7.123 547 HB2 GLU 73 1HB GLU 73 -7.008 -3.973 -8.829 548 HB3 GLU 73 2HB GLU 73 -7.314 -5.352 -7.784 549 HG2 GLU 73 1HG GLU 73 -9.036 -4.016 -6.606 550 HG3 GLU 73 2HG GLU 73 -8.780 -2.725 -7.778 551 H GLU 74 H GLU 74 -8.143 -2.325 -5.741 552 HA GLU 74 HA GLU 74 -7.759 0.143 -7.005 553 HB2 GLU 74 1HB GLU 74 -9.155 -0.724 -4.503 554 HB3 GLU 74 2HB GLU 74 -8.978 0.991 -4.842 555 HG2 GLU 74 1HG GLU 74 -10.199 -0.953 -6.780 556 HG3 GLU 74 2HG GLU 74 -11.133 -0.054 -5.584 557 H ALA 75 H ALA 75 -6.513 -1.107 -3.939 558 HA ALA 75 HA ALA 75 -5.279 1.255 -3.049 559 HB1 ALA 75 1HB ALA 75 -3.748 -0.507 -1.841 560 HB2 ALA 75 2HB ALA 75 -5.438 -0.302 -1.377 561 HB3 ALA 75 3HB ALA 75 -4.968 -1.640 -2.426 562 H ILE 76 H ILE 76 -3.946 -1.503 -4.862 563 HA ILE 76 HA ILE 76 -1.322 -0.768 -5.078 564 HB ILE 76 HB ILE 76 -3.044 -1.982 -7.241 565 HG12 ILE 76 1HG1 ILE 76 -1.206 -3.254 -5.201 566 HG13 ILE 76 2HG1 ILE 76 -2.965 -3.263 -5.134 567 HG21 ILE 76 1HG2 ILE 76 -0.238 -1.199 -7.208 568 HG22 ILE 76 2HG2 ILE 76 -0.483 -2.894 -7.623 569 HG23 ILE 76 3HG2 ILE 76 -1.278 -1.633 -8.564 570 HD11 ILE 76 1HD1 ILE 76 -1.139 -4.947 -6.647 571 HD12 ILE 76 2HD1 ILE 76 -2.809 -5.231 -6.157 572 HD13 ILE 76 3HD1 ILE 76 -2.464 -4.299 -7.614 573 H ASP 77 H ASP 77 -3.872 0.129 -7.409 574 HA ASP 77 HA ASP 77 -2.441 1.746 -9.087 575 HB2 ASP 77 1HB ASP 77 -4.918 1.120 -9.196 576 HB3 ASP 77 2HB ASP 77 -5.203 2.500 -8.139 577 H HIS 78 H HIS 78 -3.672 2.527 -5.887 578 HA HIS 78 HA HIS 78 -3.012 5.306 -6.028 579 HB2 HIS 78 1HB HIS 78 -4.753 4.586 -4.514 580 HB3 HIS 78 2HB HIS 78 -3.639 3.505 -3.681 581 HD1 HIS 78 1HD HIS 78 -5.045 6.818 -3.484 582 HD2 HIS 78 2HD HIS 78 -1.480 5.027 -2.325 583 HE1 HIS 78 1HE HIS 78 -4.039 8.366 -1.777 584 H ILE 79 H ILE 79 -1.371 2.400 -4.979 585 HA ILE 79 HA ILE 79 0.747 3.692 -3.591 586 HB ILE 79 HB ILE 79 0.672 0.946 -4.847 587 HG12 ILE 79 1HG1 ILE 79 0.201 1.824 -1.989 588 HG13 ILE 79 2HG1 ILE 79 -1.052 1.316 -3.117 589 HG21 ILE 79 1HG2 ILE 79 2.674 2.336 -3.121 590 HG22 ILE 79 2HG2 ILE 79 2.471 0.589 -3.002 591 HG23 ILE 79 3HG2 ILE 79 2.929 1.320 -4.540 592 HD11 ILE 79 1HD1 ILE 79 0.358 -0.864 -3.264 593 HD12 ILE 79 2HD1 ILE 79 1.016 -0.309 -1.724 594 HD13 ILE 79 3HD1 ILE 79 -0.717 -0.591 -1.894 595 H LEU 80 H LEU 80 0.729 2.036 -6.755 596 HA LEU 80 HA LEU 80 3.266 2.835 -7.572 597 HB2 LEU 80 1HB LEU 80 0.809 1.892 -8.939 598 HB3 LEU 80 2HB LEU 80 2.051 2.647 -9.936 599 HG LEU 80 HG LEU 80 2.500 0.256 -8.151 600 HD11 LEU 80 1HD1 LEU 80 2.529 0.103 -11.120 601 HD12 LEU 80 2HD1 LEU 80 0.973 0.106 -10.291 602 HD13 LEU 80 3HD1 LEU 80 2.164 -1.141 -9.924 603 HD21 LEU 80 1HD2 LEU 80 4.333 2.047 -9.130 604 HD22 LEU 80 2HD2 LEU 80 4.338 0.779 -10.356 605 HD23 LEU 80 3HD2 LEU 80 4.670 0.377 -8.670 606 H ASN 81 H ASN 81 0.232 4.551 -7.611 607 HA ASN 81 HA ASN 81 0.824 6.556 -9.465 608 HB2 ASN 81 1HB ASN 81 -1.400 6.559 -8.829 609 HB3 ASN 81 2HB ASN 81 -1.021 6.347 -7.122 610 HD21 ASN 81 1HD2 ASN 81 -2.358 8.036 -6.513 611 HD22 ASN 81 2HD2 ASN 81 -1.942 9.689 -6.794 612 H LEU 82 H LEU 82 1.230 6.587 -5.925 613 HA LEU 82 HA LEU 82 2.441 9.114 -5.772 614 HB2 LEU 82 1HB LEU 82 2.784 6.741 -3.945 615 HB3 LEU 82 2HB LEU 82 3.218 8.405 -3.559 616 HG LEU 82 HG LEU 82 0.419 7.394 -4.062 617 HD11 LEU 82 1HD1 LEU 82 1.184 6.522 -1.983 618 HD12 LEU 82 2HD1 LEU 82 0.144 7.901 -1.628 619 HD13 LEU 82 3HD1 LEU 82 1.897 8.070 -1.528 620 HD21 LEU 82 1HD2 LEU 82 1.586 10.094 -3.585 621 HD22 LEU 82 2HD2 LEU 82 -0.003 9.717 -2.919 622 HD23 LEU 82 3HD2 LEU 82 0.274 9.604 -4.658 623 H GLU 83 H GLU 83 3.880 5.866 -5.921 624 HA GLU 83 HA GLU 83 6.502 6.251 -5.626 625 HB2 GLU 83 1HB GLU 83 5.709 4.100 -6.297 626 HB3 GLU 83 2HB GLU 83 5.142 4.722 -7.841 627 HG2 GLU 83 1HG GLU 83 8.033 4.958 -7.205 628 HG3 GLU 83 2HG GLU 83 7.390 3.373 -7.632 629 H GLU 84 H GLU 84 4.815 6.968 -8.681 630 HA GLU 84 HA GLU 84 7.058 8.057 -9.994 631 HB2 GLU 84 1HB GLU 84 4.891 7.274 -11.051 632 HB3 GLU 84 2HB GLU 84 4.181 8.794 -10.524 633 HG2 GLU 84 1HG GLU 84 5.865 10.010 -11.842 634 HG3 GLU 84 2HG GLU 84 6.502 8.468 -12.412 635 H GLU 85 H GLU 85 4.446 9.561 -8.131 636 HA GLU 85 HA GLU 85 5.149 12.233 -8.564 637 HB2 GLU 85 1HB GLU 85 3.962 11.159 -6.007 638 HB3 GLU 85 2HB GLU 85 3.766 12.766 -6.691 639 HG2 GLU 85 1HG GLU 85 2.734 11.417 -8.701 640 HG3 GLU 85 2HG GLU 85 2.461 10.209 -7.447 641 H TYR 86 H TYR 86 6.334 9.874 -6.241 642 HA TYR 86 HA TYR 86 7.889 11.763 -4.751 643 HB2 TYR 86 1HB TYR 86 7.781 8.753 -4.822 644 HB3 TYR 86 2HB TYR 86 8.959 9.616 -3.839 645 HD1 TYR 86 1HD TYR 86 5.347 10.290 -4.509 646 HD2 TYR 86 2HD TYR 86 8.334 9.367 -1.623 647 HE1 TYR 86 1HE TYR 86 3.677 10.516 -2.717 648 HE2 TYR 86 2HE TYR 86 6.673 9.589 0.176 649 HH TYR 86 HH TYR 86 3.744 9.336 0.018 650 H LEU 87 H LEU 87 8.737 9.139 -7.011 651 HA LEU 87 HA LEU 87 11.477 9.629 -7.123 652 HB2 LEU 87 1HB LEU 87 9.547 8.430 -9.082 653 HB3 LEU 87 2HB LEU 87 11.263 8.580 -9.455 654 HG LEU 87 HG LEU 87 10.128 7.033 -7.126 655 HD11 LEU 87 1HD1 LEU 87 10.147 5.142 -8.366 656 HD12 LEU 87 2HD1 LEU 87 11.488 5.683 -9.376 657 HD13 LEU 87 3HD1 LEU 87 9.858 6.284 -9.680 658 HD21 LEU 87 1HD2 LEU 87 12.751 6.253 -7.862 659 HD22 LEU 87 2HD2 LEU 87 12.204 6.977 -6.350 660 HD23 LEU 87 3HD2 LEU 87 12.739 8.007 -7.679 661 H ALA 88 H ALA 88 8.816 11.147 -8.831 662 HA ALA 88 HA ALA 88 10.156 12.462 -10.863 663 HB1 ALA 88 1HB ALA 88 7.949 12.830 -11.125 664 HB2 ALA 88 2HB ALA 88 7.643 12.886 -9.389 665 HB3 ALA 88 3HB ALA 88 8.293 14.302 -10.216 666 H ASP 89 H ASP 89 10.146 13.106 -7.450 667 HA ASP 89 HA ASP 89 12.009 15.333 -7.909 668 HB2 ASP 89 1HB ASP 89 9.592 15.978 -7.170 669 HB3 ASP 89 2HB ASP 89 10.105 15.392 -5.590 670 H SER 90 H SER 90 12.928 12.822 -7.514 671 HA SER 90 HA SER 90 13.827 12.847 -4.707 672 HB2 SER 90 1HB SER 90 13.251 10.522 -6.541 673 HB3 SER 90 2HB SER 90 14.226 10.348 -5.082 674 HG SER 90 HG SER 90 11.808 9.994 -5.003 675 H GLY 91 H GLY 91 15.570 14.242 -5.319 676 HA2 GLY 91 1HA GLY 91 17.929 12.795 -6.055 677 HA3 GLY 91 2HA GLY 91 17.412 13.894 -7.325 678 HA PRO 92 HA PRO 92 19.379 17.284 -5.373 679 HB2 PRO 92 1HB PRO 92 17.587 19.306 -5.642 680 HB3 PRO 92 2HB PRO 92 18.502 18.646 -7.003 681 HG2 PRO 92 1HG PRO 92 15.689 18.071 -6.154 682 HG3 PRO 92 2HG PRO 92 16.333 18.338 -7.784 683 HD2 PRO 92 1HD PRO 92 15.812 15.866 -6.811 684 HD3 PRO 92 2HD PRO 92 17.128 16.182 -7.960 685 H SER 93 H SER 93 19.305 16.326 -3.228 686 HA SER 93 HA SER 93 17.888 18.017 -1.366 687 HB2 SER 93 1HB SER 93 16.889 16.084 -0.128 688 HB3 SER 93 2HB SER 93 16.171 16.352 -1.716 689 HG SER 93 HG SER 93 17.934 14.723 -2.343 690 H SER 94 H SER 94 18.852 18.099 0.642 691 HA SER 94 HA SER 94 21.452 16.761 0.817 692 HB2 SER 94 1HB SER 94 20.972 19.352 1.112 693 HB3 SER 94 2HB SER 94 20.608 18.862 2.766 694 HG SER 94 HG SER 94 22.771 17.683 2.464 695 H GLY 95 H GLY 95 21.964 15.340 2.396 696 HA2 GLY 95 1HA GLY 95 20.126 15.002 4.655 697 HA3 GLY 95 2HA GLY 95 20.407 13.620 3.607 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -37.303 -0.352 -6.865 2 HA2 GLY 1 1HA GLY 1 -38.403 -1.429 -4.739 3 HA3 GLY 1 2HA GLY 1 -38.182 -2.888 -5.694 4 H SER 2 H SER 2 -36.674 -3.909 -4.466 5 HA SER 2 HA SER 2 -34.723 -4.247 -3.290 6 HB2 SER 2 1HB SER 2 -32.839 -4.246 -4.713 7 HB3 SER 2 2HB SER 2 -34.212 -4.441 -5.803 8 HG SER 2 HG SER 2 -33.925 -2.453 -6.556 9 H SER 3 H SER 3 -35.942 -1.941 -2.356 10 HA SER 3 HA SER 3 -33.864 0.099 -2.177 11 HB2 SER 3 1HB SER 3 -36.369 0.594 -2.514 12 HB3 SER 3 2HB SER 3 -36.545 0.198 -0.804 13 HG SER 3 HG SER 3 -36.206 2.441 -1.156 14 H GLY 4 H GLY 4 -33.136 -2.309 -1.007 15 HA2 GLY 4 1HA GLY 4 -33.633 -2.131 1.848 16 HA3 GLY 4 2HA GLY 4 -32.660 -3.344 1.030 17 H SER 5 H SER 5 -31.522 -2.599 3.209 18 HA SER 5 HA SER 5 -29.915 -0.220 2.924 19 HB2 SER 5 1HB SER 5 -29.046 -0.739 5.092 20 HB3 SER 5 2HB SER 5 -30.766 -1.124 5.133 21 HG SER 5 HG SER 5 -28.662 -2.739 5.558 22 H SER 6 H SER 6 -28.251 -0.187 1.573 23 HA SER 6 HA SER 6 -26.438 -2.503 1.530 24 HB2 SER 6 1HB SER 6 -28.020 -2.190 -0.535 25 HB3 SER 6 2HB SER 6 -26.899 -0.898 -0.963 26 HG SER 6 HG SER 6 -26.501 -3.185 -1.730 27 H GLY 7 H GLY 7 -24.528 -1.883 2.278 28 HA2 GLY 7 1HA GLY 7 -23.438 0.697 1.384 29 HA3 GLY 7 2HA GLY 7 -23.469 0.332 3.103 30 H ARG 8 H ARG 8 -21.076 0.850 2.429 31 HA ARG 8 HA ARG 8 -19.617 -1.288 1.211 32 HB2 ARG 8 1HB ARG 8 -18.926 1.278 2.566 33 HB3 ARG 8 2HB ARG 8 -17.668 0.059 2.407 34 HG2 ARG 8 1HG ARG 8 -19.278 0.931 0.039 35 HG3 ARG 8 2HG ARG 8 -17.877 1.854 0.588 36 HD2 ARG 8 1HD ARG 8 -17.832 -1.081 -0.098 37 HD3 ARG 8 2HD ARG 8 -17.361 0.210 -1.203 38 HE ARG 8 HE ARG 8 -15.950 0.291 1.291 39 HH11 ARG 8 1HH1 ARG 8 -16.042 -1.143 -1.880 40 HH12 ARG 8 2HH1 ARG 8 -14.346 -1.494 -1.913 41 HH21 ARG 8 1HH2 ARG 8 -13.716 -0.167 1.260 42 HH22 ARG 8 2HH2 ARG 8 -13.024 -0.939 -0.126 43 H ILE 9 H ILE 9 -17.764 -2.346 2.387 44 HA ILE 9 HA ILE 9 -18.160 -2.774 5.228 45 HB ILE 9 HB ILE 9 -18.087 -5.331 4.766 46 HG12 ILE 9 1HG1 ILE 9 -19.380 -5.945 2.720 47 HG13 ILE 9 2HG1 ILE 9 -19.267 -4.271 2.190 48 HG21 ILE 9 1HG2 ILE 9 -20.246 -5.377 5.411 49 HG22 ILE 9 2HG2 ILE 9 -20.032 -3.632 5.536 50 HG23 ILE 9 3HG2 ILE 9 -20.772 -4.328 4.095 51 HD11 ILE 9 1HD1 ILE 9 -17.155 -4.509 1.492 52 HD12 ILE 9 2HD1 ILE 9 -16.706 -5.527 2.860 53 HD13 ILE 9 3HD1 ILE 9 -17.550 -6.227 1.479 54 H VAL 10 H VAL 10 -16.565 -4.735 5.851 55 HA VAL 10 HA VAL 10 -13.977 -4.000 4.659 56 HB VAL 10 HB VAL 10 -14.603 -5.157 7.379 57 HG11 VAL 10 1HG1 VAL 10 -11.933 -4.400 6.196 58 HG12 VAL 10 2HG1 VAL 10 -12.221 -4.945 7.850 59 HG13 VAL 10 3HG1 VAL 10 -12.498 -6.043 6.497 60 HG21 VAL 10 1HG2 VAL 10 -15.157 -2.792 7.157 61 HG22 VAL 10 2HG2 VAL 10 -13.764 -3.014 8.215 62 HG23 VAL 10 3HG2 VAL 10 -13.533 -2.457 6.558 63 H GLY 11 H GLY 11 -16.164 -6.619 5.225 64 HA2 GLY 11 1HA GLY 11 -16.149 -8.695 4.169 65 HA3 GLY 11 2HA GLY 11 -14.525 -8.359 3.587 66 H GLU 12 H GLU 12 -14.559 -10.772 4.276 67 HA GLU 12 HA GLU 12 -13.966 -11.041 7.135 68 HB2 GLU 12 1HB GLU 12 -14.775 -12.956 4.986 69 HB3 GLU 12 2HB GLU 12 -13.877 -13.561 6.371 70 HG2 GLU 12 1HG GLU 12 -15.611 -12.570 7.850 71 HG3 GLU 12 2HG GLU 12 -16.535 -12.153 6.408 72 H LEU 13 H LEU 13 -12.076 -12.216 7.813 73 HA LEU 13 HA LEU 13 -9.707 -11.336 6.644 74 HB2 LEU 13 1HB LEU 13 -10.223 -13.640 8.511 75 HB3 LEU 13 2HB LEU 13 -8.611 -13.073 8.079 76 HG LEU 13 HG LEU 13 -10.595 -11.197 9.309 77 HD11 LEU 13 1HD1 LEU 13 -10.160 -13.470 10.596 78 HD12 LEU 13 2HD1 LEU 13 -10.249 -11.923 11.437 79 HD13 LEU 13 3HD1 LEU 13 -8.679 -12.632 11.061 80 HD21 LEU 13 1HD2 LEU 13 -8.569 -10.248 8.383 81 HD22 LEU 13 2HD2 LEU 13 -7.584 -11.380 9.311 82 HD23 LEU 13 3HD2 LEU 13 -8.532 -10.146 10.144 83 H GLU 14 H GLU 14 -10.855 -14.716 6.746 84 HA GLU 14 HA GLU 14 -9.048 -15.868 5.058 85 HB2 GLU 14 1HB GLU 14 -11.965 -16.418 5.509 86 HB3 GLU 14 2HB GLU 14 -11.045 -17.371 4.353 87 HG2 GLU 14 1HG GLU 14 -10.217 -17.032 7.220 88 HG3 GLU 14 2HG GLU 14 -11.262 -18.338 6.662 89 H GLN 15 H GLN 15 -11.904 -14.002 4.167 90 HA GLN 15 HA GLN 15 -11.863 -14.506 1.408 91 HB2 GLN 15 1HB GLN 15 -12.934 -12.248 3.075 92 HB3 GLN 15 2HB GLN 15 -13.029 -12.196 1.320 93 HG2 GLN 15 1HG GLN 15 -14.056 -14.571 2.809 94 HG3 GLN 15 2HG GLN 15 -15.026 -13.104 2.689 95 HE21 GLN 15 1HE2 GLN 15 -15.954 -12.559 0.762 96 HE22 GLN 15 2HE2 GLN 15 -15.952 -13.593 -0.622 97 H MET 16 H MET 16 -10.177 -12.118 3.376 98 HA MET 16 HA MET 16 -9.190 -10.434 1.424 99 HB2 MET 16 1HB MET 16 -7.732 -11.390 3.895 100 HB3 MET 16 2HB MET 16 -7.349 -9.945 2.969 101 HG2 MET 16 1HG MET 16 -9.778 -9.250 3.488 102 HG3 MET 16 2HG MET 16 -9.689 -10.480 4.746 103 HE1 MET 16 1HE MET 16 -10.084 -8.688 6.768 104 HE2 MET 16 2HE MET 16 -9.332 -7.094 6.706 105 HE3 MET 16 3HE MET 16 -10.418 -7.609 5.413 106 H VAL 17 H VAL 17 -7.219 -10.347 0.266 107 HA VAL 17 HA VAL 17 -5.858 -12.935 -0.083 108 HB VAL 17 HB VAL 17 -5.683 -12.530 -2.486 109 HG11 VAL 17 1HG1 VAL 17 -7.675 -13.710 -1.382 110 HG12 VAL 17 2HG1 VAL 17 -8.587 -12.253 -1.785 111 HG13 VAL 17 3HG1 VAL 17 -7.841 -13.211 -3.065 112 HG21 VAL 17 1HG2 VAL 17 -5.937 -10.479 -3.299 113 HG22 VAL 17 2HG2 VAL 17 -7.659 -10.570 -2.932 114 HG23 VAL 17 3HG2 VAL 17 -6.538 -9.904 -1.745 115 H SER 18 H SER 18 -3.676 -12.869 -0.251 116 HA SER 18 HA SER 18 -2.400 -10.305 0.265 117 HB2 SER 18 1HB SER 18 -0.567 -11.504 1.070 118 HB3 SER 18 2HB SER 18 -1.915 -12.565 1.478 119 HG SER 18 HG SER 18 -1.346 -13.928 -0.103 120 H GLU 19 H GLU 19 -1.641 -9.106 -1.336 121 HA GLU 19 HA GLU 19 -0.748 -10.452 -3.802 122 HB2 GLU 19 1HB GLU 19 -2.334 -7.977 -3.345 123 HB3 GLU 19 2HB GLU 19 -1.200 -7.972 -4.688 124 HG2 GLU 19 1HG GLU 19 -2.275 -9.917 -5.645 125 HG3 GLU 19 2HG GLU 19 -3.374 -10.010 -4.270 126 H ASP 20 H ASP 20 1.017 -9.450 -4.954 127 HA ASP 20 HA ASP 20 2.864 -8.050 -3.136 128 HB2 ASP 20 1HB ASP 20 4.603 -8.953 -4.854 129 HB3 ASP 20 2HB ASP 20 3.927 -10.053 -3.656 130 H VAL 21 H VAL 21 3.230 -5.990 -3.581 131 HA VAL 21 HA VAL 21 2.850 -5.053 -6.349 132 HB VAL 21 HB VAL 21 2.850 -3.186 -4.011 133 HG11 VAL 21 1HG1 VAL 21 2.359 -1.718 -5.600 134 HG12 VAL 21 2HG1 VAL 21 2.415 -3.003 -6.809 135 HG13 VAL 21 3HG1 VAL 21 0.897 -2.622 -5.994 136 HG21 VAL 21 1HG2 VAL 21 0.402 -3.460 -3.830 137 HG22 VAL 21 2HG2 VAL 21 0.498 -4.842 -4.921 138 HG23 VAL 21 3HG2 VAL 21 1.286 -4.907 -3.345 139 HA PRO 22 HA PRO 22 7.263 -4.397 -6.236 140 HB2 PRO 22 1HB PRO 22 7.449 -3.415 -8.760 141 HB3 PRO 22 2HB PRO 22 7.276 -5.139 -8.410 142 HG2 PRO 22 1HG PRO 22 5.192 -3.156 -9.237 143 HG3 PRO 22 2HG PRO 22 5.437 -4.821 -9.797 144 HD2 PRO 22 1HD PRO 22 3.555 -4.163 -7.966 145 HD3 PRO 22 2HD PRO 22 4.392 -5.728 -7.955 146 H LEU 23 H LEU 23 7.562 -2.718 -4.810 147 HA LEU 23 HA LEU 23 7.169 -0.004 -5.888 148 HB2 LEU 23 1HB LEU 23 5.713 -0.580 -3.956 149 HB3 LEU 23 2HB LEU 23 7.165 -0.826 -2.988 150 HG LEU 23 HG LEU 23 7.680 1.649 -3.659 151 HD11 LEU 23 1HD1 LEU 23 6.107 2.503 -5.002 152 HD12 LEU 23 2HD1 LEU 23 5.147 2.651 -3.531 153 HD13 LEU 23 3HD1 LEU 23 4.934 1.254 -4.585 154 HD21 LEU 23 1HD2 LEU 23 5.488 1.680 -1.731 155 HD22 LEU 23 2HD2 LEU 23 7.190 2.097 -1.524 156 HD23 LEU 23 3HD2 LEU 23 6.677 0.412 -1.430 157 H ASP 24 H ASP 24 8.928 1.219 -6.098 158 HA ASP 24 HA ASP 24 11.512 0.182 -5.590 159 HB2 ASP 24 1HB ASP 24 10.784 1.916 -7.353 160 HB3 ASP 24 2HB ASP 24 10.930 3.098 -6.055 161 H HIS 25 H HIS 25 12.932 0.513 -3.958 162 HA HIS 25 HA HIS 25 11.975 1.262 -1.420 163 HB2 HIS 25 1HB HIS 25 14.391 1.159 -0.747 164 HB3 HIS 25 2HB HIS 25 13.805 -0.282 -1.573 165 HD1 HIS 25 1HD HIS 25 16.201 2.541 -1.910 166 HD2 HIS 25 2HD HIS 25 14.883 -0.700 -4.150 167 HE1 HIS 25 1HE HIS 25 17.843 2.319 -3.803 168 H ARG 26 H ARG 26 12.939 3.157 -4.027 169 HA ARG 26 HA ARG 26 14.046 5.354 -2.544 170 HB2 ARG 26 1HB ARG 26 13.270 4.882 -5.395 171 HB3 ARG 26 2HB ARG 26 13.532 6.530 -4.839 172 HG2 ARG 26 1HG ARG 26 15.602 4.456 -4.291 173 HG3 ARG 26 2HG ARG 26 15.480 5.169 -5.901 174 HD2 ARG 26 1HD ARG 26 15.855 7.359 -5.044 175 HD3 ARG 26 2HD ARG 26 15.692 6.800 -3.380 176 HE ARG 26 HE ARG 26 18.043 6.727 -4.985 177 HH11 ARG 26 1HH1 ARG 26 16.333 5.048 -2.460 178 HH12 ARG 26 2HH1 ARG 26 17.762 4.336 -1.787 179 HH21 ARG 26 1HH2 ARG 26 19.931 5.795 -4.109 180 HH22 ARG 26 2HH2 ARG 26 19.808 4.761 -2.725 181 H VAL 27 H VAL 27 10.969 4.166 -2.849 182 HA VAL 27 HA VAL 27 9.792 6.813 -2.302 183 HB VAL 27 HB VAL 27 7.693 6.051 -3.289 184 HG11 VAL 27 1HG1 VAL 27 10.167 6.406 -4.756 185 HG12 VAL 27 2HG1 VAL 27 8.981 5.473 -5.671 186 HG13 VAL 27 3HG1 VAL 27 8.566 7.077 -5.064 187 HG21 VAL 27 1HG2 VAL 27 7.248 3.937 -3.900 188 HG22 VAL 27 2HG2 VAL 27 8.840 3.705 -4.622 189 HG23 VAL 27 3HG2 VAL 27 8.627 3.525 -2.881 190 H HIS 28 H HIS 28 10.110 3.494 -1.390 191 HA HIS 28 HA HIS 28 8.065 2.816 0.177 192 HB2 HIS 28 1HB HIS 28 11.011 2.613 0.711 193 HB3 HIS 28 2HB HIS 28 9.855 2.020 1.900 194 HD2 HIS 28 2HD HIS 28 9.069 1.413 -1.861 195 HE1 HIS 28 1HE HIS 28 10.252 -2.275 -0.130 196 HE2 HIS 28 2HE HIS 28 9.383 -1.132 -2.199 197 H ALA 29 H ALA 29 10.739 4.711 1.591 198 HA ALA 29 HA ALA 29 9.432 5.415 3.941 199 HB1 ALA 29 1HB ALA 29 11.209 7.512 3.030 200 HB2 ALA 29 2HB ALA 29 11.363 6.420 4.407 201 HB3 ALA 29 3HB ALA 29 11.914 5.910 2.811 202 H ARG 30 H ARG 30 9.668 7.231 0.890 203 HA ARG 30 HA ARG 30 8.368 9.544 1.565 204 HB2 ARG 30 1HB ARG 30 8.064 8.003 -1.019 205 HB3 ARG 30 2HB ARG 30 7.674 9.703 -0.792 206 HG2 ARG 30 1HG ARG 30 10.419 8.523 -0.432 207 HG3 ARG 30 2HG ARG 30 9.849 9.314 -1.903 208 HD2 ARG 30 1HD ARG 30 9.594 11.397 -0.776 209 HD3 ARG 30 2HD ARG 30 9.856 10.645 0.797 210 HE ARG 30 HE ARG 30 12.128 10.177 -0.735 211 HH11 ARG 30 1HH1 ARG 30 10.416 12.884 0.628 212 HH12 ARG 30 2HH1 ARG 30 11.837 13.860 0.806 213 HH21 ARG 30 1HH2 ARG 30 14.006 11.452 -0.505 214 HH22 ARG 30 2HH2 ARG 30 13.878 13.045 0.160 215 H ILE 31 H ILE 31 7.010 6.370 1.146 216 HA ILE 31 HA ILE 31 4.280 7.398 1.242 217 HB ILE 31 HB ILE 31 5.257 4.548 1.024 218 HG12 ILE 31 1HG1 ILE 31 4.095 6.352 -1.108 219 HG13 ILE 31 2HG1 ILE 31 5.811 6.007 -0.925 220 HG21 ILE 31 1HG2 ILE 31 2.881 5.211 1.978 221 HG22 ILE 31 2HG2 ILE 31 2.511 5.382 0.262 222 HG23 ILE 31 3HG2 ILE 31 3.093 3.840 0.889 223 HD11 ILE 31 1HD1 ILE 31 3.676 3.966 -1.494 224 HD12 ILE 31 2HD1 ILE 31 4.780 4.662 -2.681 225 HD13 ILE 31 3HD1 ILE 31 5.408 3.661 -1.373 226 H ILE 32 H ILE 32 6.367 5.171 3.072 227 HA ILE 32 HA ILE 32 4.663 4.499 5.126 228 HB ILE 32 HB ILE 32 7.638 4.984 5.224 229 HG12 ILE 32 1HG1 ILE 32 6.253 2.325 5.348 230 HG13 ILE 32 2HG1 ILE 32 6.497 3.117 3.795 231 HG21 ILE 32 1HG2 ILE 32 5.761 4.466 7.373 232 HG22 ILE 32 2HG2 ILE 32 7.010 3.227 7.262 233 HG23 ILE 32 3HG2 ILE 32 7.463 4.921 7.445 234 HD11 ILE 32 1HD1 ILE 32 8.520 2.237 3.726 235 HD12 ILE 32 2HD1 ILE 32 8.964 3.217 5.124 236 HD13 ILE 32 3HD1 ILE 32 8.333 1.587 5.354 237 H GLY 33 H GLY 33 6.837 7.317 4.973 238 HA2 GLY 33 1HA GLY 33 6.254 9.464 5.791 239 HA3 GLY 33 2HA GLY 33 5.032 8.717 6.809 240 H ALA 34 H ALA 34 5.737 9.794 8.660 241 HA ALA 34 HA ALA 34 8.472 9.366 9.563 242 HB1 ALA 34 1HB ALA 34 7.859 11.538 10.028 243 HB2 ALA 34 2HB ALA 34 6.209 11.093 10.464 244 HB3 ALA 34 3HB ALA 34 7.538 10.742 11.568 245 H ARG 35 H ARG 35 5.274 9.032 11.118 246 HA ARG 35 HA ARG 35 6.356 6.754 12.634 247 HB2 ARG 35 1HB ARG 35 4.554 7.199 14.259 248 HB3 ARG 35 2HB ARG 35 5.616 8.585 14.049 249 HG2 ARG 35 1HG ARG 35 3.948 9.587 12.527 250 HG3 ARG 35 2HG ARG 35 2.873 8.228 12.863 251 HD2 ARG 35 1HD ARG 35 2.191 9.992 14.287 252 HD3 ARG 35 2HD ARG 35 3.054 8.836 15.300 253 HE ARG 35 HE ARG 35 4.760 10.903 14.311 254 HH11 ARG 35 1HH1 ARG 35 2.407 10.122 16.756 255 HH12 ARG 35 2HH1 ARG 35 3.006 11.288 17.889 256 HH21 ARG 35 1HH2 ARG 35 5.558 12.441 15.795 257 HH22 ARG 35 2HH2 ARG 35 4.797 12.607 17.341 258 H GLY 36 H GLY 36 5.113 6.849 9.869 259 HA2 GLY 36 1HA GLY 36 3.941 5.251 8.670 260 HA3 GLY 36 2HA GLY 36 3.524 4.469 10.187 261 H LYS 37 H LYS 37 2.869 7.840 9.851 262 HA LYS 37 HA LYS 37 0.030 7.325 10.084 263 HB2 LYS 37 1HB LYS 37 -0.202 9.581 10.677 264 HB3 LYS 37 2HB LYS 37 1.354 9.120 11.355 265 HG2 LYS 37 1HG LYS 37 2.528 10.221 9.593 266 HG3 LYS 37 2HG LYS 37 1.029 10.512 8.707 267 HD2 LYS 37 1HD LYS 37 0.263 12.048 10.368 268 HD3 LYS 37 2HD LYS 37 1.587 11.620 11.454 269 HE2 LYS 37 1HE LYS 37 2.301 13.626 10.535 270 HE3 LYS 37 2HE LYS 37 3.112 12.426 9.530 271 HZ1 LYS 37 1HZ LYS 37 2.220 13.971 8.045 272 HZ2 LYS 37 2HZ LYS 37 0.746 14.070 8.867 273 HZ3 LYS 37 3HZ LYS 37 1.133 12.676 7.990 274 H ALA 38 H ALA 38 2.294 8.448 7.678 275 HA ALA 38 HA ALA 38 0.413 9.560 5.875 276 HB1 ALA 38 1HB ALA 38 2.398 8.912 4.223 277 HB2 ALA 38 2HB ALA 38 2.493 10.285 5.327 278 HB3 ALA 38 3HB ALA 38 3.261 8.756 5.754 279 H ILE 39 H ILE 39 1.761 6.325 6.278 280 HA ILE 39 HA ILE 39 0.520 5.268 3.921 281 HB ILE 39 HB ILE 39 2.574 4.279 4.862 282 HG12 ILE 39 1HG1 ILE 39 1.574 1.840 4.968 283 HG13 ILE 39 2HG1 ILE 39 0.092 2.652 4.478 284 HG21 ILE 39 1HG2 ILE 39 0.880 3.108 7.047 285 HG22 ILE 39 2HG2 ILE 39 2.636 3.111 6.897 286 HG23 ILE 39 3HG2 ILE 39 1.780 4.609 7.260 287 HD11 ILE 39 1HD1 ILE 39 0.881 3.133 2.403 288 HD12 ILE 39 2HD1 ILE 39 2.559 3.222 2.939 289 HD13 ILE 39 3HD1 ILE 39 1.784 1.653 2.725 290 H ARG 40 H ARG 40 -0.264 5.390 7.348 291 HA ARG 40 HA ARG 40 -2.293 3.546 7.536 292 HB2 ARG 40 1HB ARG 40 -1.310 5.101 9.337 293 HB3 ARG 40 2HB ARG 40 -2.520 6.263 8.809 294 HG2 ARG 40 1HG ARG 40 -3.246 4.986 10.767 295 HG3 ARG 40 2HG ARG 40 -4.296 4.721 9.373 296 HD2 ARG 40 1HD ARG 40 -3.558 2.562 9.059 297 HD3 ARG 40 2HD ARG 40 -2.011 2.865 9.849 298 HE ARG 40 HE ARG 40 -4.184 3.080 11.675 299 HH11 ARG 40 1HH1 ARG 40 -2.164 0.793 10.000 300 HH12 ARG 40 2HH1 ARG 40 -2.359 -0.450 11.191 301 HH21 ARG 40 1HH2 ARG 40 -4.449 1.451 13.250 302 HH22 ARG 40 2HH2 ARG 40 -3.660 -0.075 13.039 303 H LYS 41 H LYS 41 -2.313 6.634 5.933 304 HA LYS 41 HA LYS 41 -5.081 7.046 5.734 305 HB2 LYS 41 1HB LYS 41 -3.900 8.915 5.105 306 HB3 LYS 41 2HB LYS 41 -2.684 7.987 4.236 307 HG2 LYS 41 1HG LYS 41 -4.217 7.626 2.403 308 HG3 LYS 41 2HG LYS 41 -5.503 8.453 3.284 309 HD2 LYS 41 1HD LYS 41 -2.905 9.689 2.370 310 HD3 LYS 41 2HD LYS 41 -4.482 9.918 1.612 311 HE2 LYS 41 1HE LYS 41 -5.177 10.675 4.027 312 HE3 LYS 41 2HE LYS 41 -3.447 10.958 4.210 313 HZ1 LYS 41 1HZ LYS 41 -4.872 12.036 1.871 314 HZ2 LYS 41 2HZ LYS 41 -3.456 12.594 2.609 315 HZ3 LYS 41 3HZ LYS 41 -4.954 12.848 3.353 316 H ILE 42 H ILE 42 -2.843 5.585 3.373 317 HA ILE 42 HA ILE 42 -4.801 4.823 1.517 318 HB ILE 42 HB ILE 42 -2.131 3.513 2.043 319 HG12 ILE 42 1HG1 ILE 42 -2.681 5.440 -0.182 320 HG13 ILE 42 2HG1 ILE 42 -2.349 6.061 1.431 321 HG21 ILE 42 1HG2 ILE 42 -4.062 3.318 -0.253 322 HG22 ILE 42 2HG2 ILE 42 -2.364 2.867 -0.391 323 HG23 ILE 42 3HG2 ILE 42 -3.413 2.015 0.742 324 HD11 ILE 42 1HD1 ILE 42 -0.423 5.760 -0.283 325 HD12 ILE 42 2HD1 ILE 42 -0.175 5.328 1.409 326 HD13 ILE 42 3HD1 ILE 42 -0.497 4.070 0.215 327 H MET 43 H MET 43 -3.407 3.096 4.273 328 HA MET 43 HA MET 43 -4.554 0.595 3.842 329 HB2 MET 43 1HB MET 43 -3.670 2.059 6.306 330 HB3 MET 43 2HB MET 43 -4.462 0.496 6.447 331 HG2 MET 43 1HG MET 43 -2.709 -0.370 4.831 332 HG3 MET 43 2HG MET 43 -1.859 1.148 5.110 333 HE1 MET 43 1HE MET 43 0.534 0.068 6.793 334 HE2 MET 43 2HE MET 43 -0.366 1.555 6.492 335 HE3 MET 43 3HE MET 43 -0.119 0.993 8.146 336 H ASP 44 H ASP 44 -5.855 3.442 5.492 337 HA ASP 44 HA ASP 44 -8.312 2.118 6.197 338 HB2 ASP 44 1HB ASP 44 -7.166 4.844 6.545 339 HB3 ASP 44 2HB ASP 44 -8.920 4.687 6.600 340 H GLU 45 H GLU 45 -7.143 4.091 3.576 341 HA GLU 45 HA GLU 45 -9.485 5.059 2.481 342 HB2 GLU 45 1HB GLU 45 -7.189 5.567 1.666 343 HB3 GLU 45 2HB GLU 45 -7.127 3.968 0.937 344 HG2 GLU 45 1HG GLU 45 -7.677 5.409 -0.813 345 HG3 GLU 45 2HG GLU 45 -9.200 4.644 -0.361 346 H PHE 46 H PHE 46 -7.914 1.939 1.785 347 HA PHE 46 HA PHE 46 -10.486 0.990 0.707 348 HB2 PHE 46 1HB PHE 46 -7.753 -0.142 0.093 349 HB3 PHE 46 2HB PHE 46 -9.272 -0.530 -0.707 350 HD1 PHE 46 1HD PHE 46 -6.609 1.954 -0.348 351 HD2 PHE 46 2HD PHE 46 -10.222 0.939 -2.356 352 HE1 PHE 46 1HE PHE 46 -6.176 3.717 -2.009 353 HE2 PHE 46 2HE PHE 46 -9.795 2.700 -4.021 354 HZ PHE 46 HZ PHE 46 -7.770 4.091 -3.850 355 H LYS 47 H LYS 47 -8.861 0.922 3.450 356 HA LYS 47 HA LYS 47 -8.812 -0.436 5.274 357 HB2 LYS 47 1HB LYS 47 -10.941 -1.897 3.703 358 HB3 LYS 47 2HB LYS 47 -10.515 -2.275 5.367 359 HG2 LYS 47 1HG LYS 47 -12.425 -0.918 5.490 360 HG3 LYS 47 2HG LYS 47 -11.071 0.132 5.915 361 HD2 LYS 47 1HD LYS 47 -11.236 1.353 3.991 362 HD3 LYS 47 2HD LYS 47 -11.882 0.001 3.059 363 HE2 LYS 47 1HE LYS 47 -13.754 1.308 3.238 364 HE3 LYS 47 2HE LYS 47 -13.937 0.299 4.672 365 HZ1 LYS 47 1HZ LYS 47 -13.725 2.054 6.000 366 HZ2 LYS 47 2HZ LYS 47 -13.946 3.016 4.627 367 HZ3 LYS 47 3HZ LYS 47 -12.383 2.655 5.163 368 H VAL 48 H VAL 48 -6.791 -0.844 3.464 369 HA VAL 48 HA VAL 48 -6.456 -3.773 3.447 370 HB VAL 48 HB VAL 48 -4.767 -3.445 1.683 371 HG11 VAL 48 1HG1 VAL 48 -7.515 -2.331 1.157 372 HG12 VAL 48 2HG1 VAL 48 -6.362 -2.729 -0.118 373 HG13 VAL 48 3HG1 VAL 48 -6.965 -3.994 0.953 374 HG21 VAL 48 1HG2 VAL 48 -4.470 -0.952 2.506 375 HG22 VAL 48 2HG2 VAL 48 -4.139 -1.415 0.837 376 HG23 VAL 48 3HG2 VAL 48 -5.670 -0.644 1.251 377 H ASP 49 H ASP 49 -4.194 -4.523 3.733 378 HA ASP 49 HA ASP 49 -2.763 -2.818 5.666 379 HB2 ASP 49 1HB ASP 49 -3.586 -4.648 6.907 380 HB3 ASP 49 2HB ASP 49 -3.211 -5.795 5.623 381 H ILE 50 H ILE 50 -1.023 -1.996 4.707 382 HA ILE 50 HA ILE 50 0.360 -3.487 2.626 383 HB ILE 50 HB ILE 50 1.000 -0.739 3.698 384 HG12 ILE 50 1HG1 ILE 50 -0.420 -1.234 1.107 385 HG13 ILE 50 2HG1 ILE 50 -1.341 -1.217 2.607 386 HG21 ILE 50 1HG2 ILE 50 1.669 -1.591 0.941 387 HG22 ILE 50 2HG2 ILE 50 2.541 -0.525 2.043 388 HG23 ILE 50 3HG2 ILE 50 2.627 -2.274 2.254 389 HD11 ILE 50 1HD1 ILE 50 -0.448 1.045 3.066 390 HD12 ILE 50 2HD1 ILE 50 0.324 1.017 1.480 391 HD13 ILE 50 3HD1 ILE 50 -1.434 0.950 1.607 392 H ARG 51 H ARG 51 1.960 -4.824 3.108 393 HA ARG 51 HA ARG 51 3.477 -4.388 5.588 394 HB2 ARG 51 1HB ARG 51 2.193 -6.611 4.943 395 HB3 ARG 51 2HB ARG 51 3.664 -6.928 4.032 396 HG2 ARG 51 1HG ARG 51 3.651 -6.245 6.960 397 HG3 ARG 51 2HG ARG 51 3.588 -7.897 6.342 398 HD2 ARG 51 1HD ARG 51 5.717 -7.639 5.268 399 HD3 ARG 51 2HD ARG 51 5.756 -5.920 5.657 400 HE ARG 51 HE ARG 51 6.501 -8.086 7.365 401 HH11 ARG 51 1HH1 ARG 51 5.202 -4.856 7.315 402 HH12 ARG 51 2HH1 ARG 51 5.743 -4.474 8.916 403 HH21 ARG 51 1HH2 ARG 51 7.219 -7.594 9.473 404 HH22 ARG 51 2HH2 ARG 51 6.891 -6.031 10.142 405 H PHE 52 H PHE 52 5.334 -3.358 5.283 406 HA PHE 52 HA PHE 52 6.689 -3.419 2.733 407 HB2 PHE 52 1HB PHE 52 7.166 -1.984 5.333 408 HB3 PHE 52 2HB PHE 52 8.378 -1.973 4.056 409 HD1 PHE 52 1HD PHE 52 7.742 -1.055 1.798 410 HD2 PHE 52 2HD PHE 52 5.322 -0.548 5.263 411 HE1 PHE 52 1HE PHE 52 6.576 0.817 0.706 412 HE2 PHE 52 2HE PHE 52 4.152 1.323 4.176 413 HZ PHE 52 HZ PHE 52 4.777 2.007 1.894 414 HA PRO 53 HA PRO 53 9.547 -6.648 3.570 415 HB2 PRO 53 1HB PRO 53 11.667 -5.819 2.091 416 HB3 PRO 53 2HB PRO 53 10.189 -6.468 1.371 417 HG2 PRO 53 1HG PRO 53 11.036 -3.617 1.715 418 HG3 PRO 53 2HG PRO 53 10.281 -4.398 0.314 419 HD2 PRO 53 1HD PRO 53 8.878 -2.891 2.073 420 HD3 PRO 53 2HD PRO 53 8.169 -4.282 1.229 421 H GLN 54 H GLN 54 10.740 -7.030 5.320 422 HA GLN 54 HA GLN 54 12.021 -4.853 6.723 423 HB2 GLN 54 1HB GLN 54 11.458 -7.730 7.313 424 HB3 GLN 54 2HB GLN 54 12.689 -6.892 8.249 425 HG2 GLN 54 1HG GLN 54 9.950 -5.734 7.934 426 HG3 GLN 54 2HG GLN 54 10.282 -6.972 9.144 427 HE21 GLN 54 1HE2 GLN 54 9.519 -4.138 9.415 428 HE22 GLN 54 2HE2 GLN 54 10.739 -3.424 10.409 429 H SER 55 H SER 55 14.257 -5.110 7.566 430 HA SER 55 HA SER 55 16.148 -5.157 5.599 431 HB2 SER 55 1HB SER 55 16.320 -5.648 8.555 432 HB3 SER 55 2HB SER 55 17.765 -5.802 7.555 433 HG SER 55 HG SER 55 16.141 -3.522 7.960 434 H GLY 56 H GLY 56 14.694 -7.871 7.194 435 HA2 GLY 56 1HA GLY 56 16.620 -9.693 5.908 436 HA3 GLY 56 2HA GLY 56 15.590 -10.110 7.269 437 H ALA 57 H ALA 57 14.476 -8.370 4.435 438 HA ALA 57 HA ALA 57 12.640 -10.584 3.877 439 HB1 ALA 57 1HB ALA 57 11.120 -9.066 3.202 440 HB2 ALA 57 2HB ALA 57 12.111 -7.953 4.145 441 HB3 ALA 57 3HB ALA 57 12.324 -8.058 2.398 442 HA PRO 58 HA PRO 58 14.710 -11.767 0.185 443 HB2 PRO 58 1HB PRO 58 12.615 -12.718 -1.256 444 HB3 PRO 58 2HB PRO 58 13.294 -13.575 0.132 445 HG2 PRO 58 1HG PRO 58 10.864 -11.833 -0.015 446 HG3 PRO 58 2HG PRO 58 11.079 -13.385 0.816 447 HD2 PRO 58 1HD PRO 58 11.175 -11.010 2.114 448 HD3 PRO 58 2HD PRO 58 12.137 -12.414 2.620 449 H ASP 59 H ASP 59 11.871 -9.696 -0.075 450 HA ASP 59 HA ASP 59 13.052 -8.493 -2.491 451 HB2 ASP 59 1HB ASP 59 10.155 -9.063 -1.872 452 HB3 ASP 59 2HB ASP 59 10.647 -7.916 -3.115 453 HA PRO 60 HA PRO 60 12.907 -5.182 0.656 454 HB2 PRO 60 1HB PRO 60 15.037 -3.842 -0.363 455 HB3 PRO 60 2HB PRO 60 15.203 -5.213 0.740 456 HG2 PRO 60 1HG PRO 60 15.444 -5.142 -2.243 457 HG3 PRO 60 2HG PRO 60 16.459 -5.985 -1.058 458 HD2 PRO 60 1HD PRO 60 14.536 -7.245 -2.489 459 HD3 PRO 60 2HD PRO 60 14.969 -7.730 -0.837 460 H ASN 61 H ASN 61 12.332 -5.370 -2.648 461 HA ASN 61 HA ASN 61 11.522 -2.538 -2.750 462 HB2 ASN 61 1HB ASN 61 11.654 -3.049 -5.339 463 HB3 ASN 61 2HB ASN 61 13.099 -2.610 -4.431 464 HD21 ASN 61 1HD2 ASN 61 14.785 -3.814 -4.860 465 HD22 ASN 61 2HD2 ASN 61 14.764 -5.475 -5.337 466 H CYS 62 H CYS 62 10.186 -5.253 -2.034 467 HA CYS 62 HA CYS 62 7.774 -4.778 -3.653 468 HB2 CYS 62 1HB CYS 62 9.123 -6.938 -4.145 469 HB3 CYS 62 2HB CYS 62 8.478 -7.507 -2.610 470 HG CYS 62 HG CYS 62 5.968 -6.330 -4.311 471 H VAL 63 H VAL 63 5.843 -4.762 -2.585 472 HA VAL 63 HA VAL 63 5.964 -5.120 0.340 473 HB VAL 63 HB VAL 63 4.363 -3.375 0.631 474 HG11 VAL 63 1HG1 VAL 63 6.546 -2.605 -1.295 475 HG12 VAL 63 2HG1 VAL 63 5.543 -1.430 -0.441 476 HG13 VAL 63 3HG1 VAL 63 6.580 -2.532 0.467 477 HG21 VAL 63 1HG2 VAL 63 3.842 -3.854 -2.199 478 HG22 VAL 63 2HG2 VAL 63 2.783 -3.206 -0.946 479 HG23 VAL 63 3HG2 VAL 63 3.915 -2.142 -1.780 480 H THR 64 H THR 64 4.336 -6.233 1.343 481 HA THR 64 HA THR 64 2.545 -7.733 -0.430 482 HB THR 64 HB THR 64 3.260 -8.274 2.459 483 HG1 THR 64 1HG THR 64 4.187 -9.403 0.012 484 HG21 THR 64 1HG2 THR 64 2.349 -10.617 1.412 485 HG22 THR 64 2HG2 THR 64 1.312 -9.446 0.597 486 HG23 THR 64 3HG2 THR 64 1.370 -9.497 2.359 487 H VAL 65 H VAL 65 0.658 -6.707 -0.700 488 HA VAL 65 HA VAL 65 -0.567 -5.298 1.549 489 HB VAL 65 HB VAL 65 -1.404 -5.420 -1.352 490 HG11 VAL 65 1HG1 VAL 65 -2.396 -3.514 0.752 491 HG12 VAL 65 2HG1 VAL 65 -3.037 -3.785 -0.870 492 HG13 VAL 65 3HG1 VAL 65 -3.220 -5.025 0.371 493 HG21 VAL 65 1HG2 VAL 65 0.367 -3.617 0.197 494 HG22 VAL 65 2HG2 VAL 65 0.455 -4.114 -1.492 495 HG23 VAL 65 3HG2 VAL 65 -0.701 -2.878 -0.996 496 H THR 66 H THR 66 -2.414 -5.928 2.537 497 HA THR 66 HA THR 66 -3.595 -8.478 1.648 498 HB THR 66 HB THR 66 -3.811 -7.434 4.459 499 HG1 THR 66 1HG THR 66 -1.800 -9.235 3.567 500 HG21 THR 66 1HG2 THR 66 -4.052 -9.854 4.953 501 HG22 THR 66 2HG2 THR 66 -3.967 -10.184 3.223 502 HG23 THR 66 3HG2 THR 66 -5.306 -9.242 3.876 503 H GLY 67 H GLY 67 -5.830 -8.710 1.630 504 HA2 GLY 67 1HA GLY 67 -7.917 -7.488 2.575 505 HA3 GLY 67 2HA GLY 67 -7.298 -6.165 1.598 506 H LEU 68 H LEU 68 -9.841 -7.253 1.229 507 HA LEU 68 HA LEU 68 -10.336 -9.242 -0.499 508 HB2 LEU 68 1HB LEU 68 -11.414 -6.442 -0.498 509 HB3 LEU 68 2HB LEU 68 -12.016 -7.664 -1.617 510 HG LEU 68 HG LEU 68 -13.524 -7.517 0.233 511 HD11 LEU 68 1HD1 LEU 68 -11.918 -9.975 0.824 512 HD12 LEU 68 2HD1 LEU 68 -12.778 -9.789 -0.704 513 HD13 LEU 68 3HD1 LEU 68 -13.669 -9.764 0.818 514 HD21 LEU 68 1HD2 LEU 68 -11.262 -8.187 2.099 515 HD22 LEU 68 2HD2 LEU 68 -12.908 -7.700 2.507 516 HD23 LEU 68 3HD2 LEU 68 -11.794 -6.534 1.792 517 HA PRO 69 HA PRO 69 -8.128 -8.685 -4.254 518 HB2 PRO 69 1HB PRO 69 -9.846 -9.811 -6.028 519 HB3 PRO 69 2HB PRO 69 -8.903 -10.758 -4.871 520 HG2 PRO 69 1HG PRO 69 -11.761 -9.880 -4.716 521 HG3 PRO 69 2HG PRO 69 -11.050 -11.452 -4.308 522 HD2 PRO 69 1HD PRO 69 -11.681 -9.606 -2.430 523 HD3 PRO 69 2HD PRO 69 -10.315 -10.725 -2.248 524 H GLU 70 H GLU 70 -11.349 -7.407 -3.926 525 HA GLU 70 HA GLU 70 -11.160 -5.840 -6.365 526 HB2 GLU 70 1HB GLU 70 -13.401 -5.048 -5.792 527 HB3 GLU 70 2HB GLU 70 -13.321 -6.803 -5.736 528 HG2 GLU 70 1HG GLU 70 -12.966 -6.566 -3.239 529 HG3 GLU 70 2HG GLU 70 -13.425 -4.875 -3.440 530 H ASN 71 H ASN 71 -10.643 -5.478 -2.958 531 HA ASN 71 HA ASN 71 -10.603 -2.578 -3.081 532 HB2 ASN 71 1HB ASN 71 -10.041 -4.526 -0.837 533 HB3 ASN 71 2HB ASN 71 -9.946 -2.776 -0.661 534 HD21 ASN 71 1HD2 ASN 71 -11.637 -4.384 0.852 535 HD22 ASN 71 2HD2 ASN 71 -13.273 -4.001 0.448 536 H VAL 72 H VAL 72 -8.351 -5.264 -2.938 537 HA VAL 72 HA VAL 72 -6.014 -3.769 -2.396 538 HB VAL 72 HB VAL 72 -6.437 -6.459 -3.684 539 HG11 VAL 72 1HG1 VAL 72 -4.419 -6.166 -4.630 540 HG12 VAL 72 2HG1 VAL 72 -4.013 -4.804 -3.584 541 HG13 VAL 72 3HG1 VAL 72 -3.810 -6.457 -3.001 542 HG21 VAL 72 1HG2 VAL 72 -6.834 -6.024 -1.197 543 HG22 VAL 72 2HG2 VAL 72 -5.766 -7.361 -1.624 544 HG23 VAL 72 3HG2 VAL 72 -5.085 -5.829 -1.077 545 H GLU 73 H GLU 73 -7.384 -4.977 -5.453 546 HA GLU 73 HA GLU 73 -5.465 -4.091 -7.214 547 HB2 GLU 73 1HB GLU 73 -7.223 -4.037 -8.915 548 HB3 GLU 73 2HB GLU 73 -7.380 -5.456 -7.890 549 HG2 GLU 73 1HG GLU 73 -9.120 -4.237 -6.590 550 HG3 GLU 73 2HG GLU 73 -9.032 -2.946 -7.787 551 H GLU 74 H GLU 74 -8.092 -2.259 -5.733 552 HA GLU 74 HA GLU 74 -7.638 0.121 -7.234 553 HB2 GLU 74 1HB GLU 74 -9.086 -0.349 -4.623 554 HB3 GLU 74 2HB GLU 74 -9.075 1.185 -5.481 555 HG2 GLU 74 1HG GLU 74 -10.063 -0.017 -7.446 556 HG3 GLU 74 2HG GLU 74 -10.257 -1.420 -6.398 557 H ALA 75 H ALA 75 -6.555 -1.070 -4.097 558 HA ALA 75 HA ALA 75 -5.344 1.300 -3.185 559 HB1 ALA 75 1HB ALA 75 -3.980 -0.289 -1.752 560 HB2 ALA 75 2HB ALA 75 -5.734 -0.386 -1.589 561 HB3 ALA 75 3HB ALA 75 -4.867 -1.595 -2.536 562 H ILE 76 H ILE 76 -4.000 -1.479 -4.949 563 HA ILE 76 HA ILE 76 -1.345 -0.769 -5.043 564 HB ILE 76 HB ILE 76 -2.988 -2.052 -7.227 565 HG12 ILE 76 1HG1 ILE 76 -1.111 -3.363 -5.261 566 HG13 ILE 76 2HG1 ILE 76 -2.831 -3.165 -4.940 567 HG21 ILE 76 1HG2 ILE 76 -1.179 -1.671 -8.496 568 HG22 ILE 76 2HG2 ILE 76 -0.164 -1.289 -7.106 569 HG23 ILE 76 3HG2 ILE 76 -0.445 -2.971 -7.556 570 HD11 ILE 76 1HD1 ILE 76 -1.609 -4.709 -7.214 571 HD12 ILE 76 2HD1 ILE 76 -2.376 -5.381 -5.776 572 HD13 ILE 76 3HD1 ILE 76 -3.336 -4.478 -6.948 573 H ASP 77 H ASP 77 -3.817 0.092 -7.467 574 HA ASP 77 HA ASP 77 -2.303 1.652 -9.140 575 HB2 ASP 77 1HB ASP 77 -4.754 1.022 -9.379 576 HB3 ASP 77 2HB ASP 77 -5.115 2.386 -8.326 577 H HIS 78 H HIS 78 -3.745 2.552 -6.051 578 HA HIS 78 HA HIS 78 -3.098 5.315 -6.218 579 HB2 HIS 78 1HB HIS 78 -4.844 4.610 -4.717 580 HB3 HIS 78 2HB HIS 78 -3.741 3.539 -3.858 581 HD1 HIS 78 1HD HIS 78 -5.335 6.622 -3.393 582 HD2 HIS 78 2HD HIS 78 -1.441 5.304 -2.788 583 HE1 HIS 78 1HE HIS 78 -4.322 8.243 -1.758 584 H ILE 79 H ILE 79 -1.433 2.480 -4.981 585 HA ILE 79 HA ILE 79 0.626 3.833 -3.600 586 HB ILE 79 HB ILE 79 0.690 1.094 -4.873 587 HG12 ILE 79 1HG1 ILE 79 0.118 1.885 -2.009 588 HG13 ILE 79 2HG1 ILE 79 -1.115 1.448 -3.187 589 HG21 ILE 79 1HG2 ILE 79 2.401 0.871 -2.858 590 HG22 ILE 79 2HG2 ILE 79 2.903 1.419 -4.456 591 HG23 ILE 79 3HG2 ILE 79 2.605 2.593 -3.175 592 HD11 ILE 79 1HD1 ILE 79 0.189 -0.753 -3.414 593 HD12 ILE 79 2HD1 ILE 79 0.951 -0.280 -1.895 594 HD13 ILE 79 3HD1 ILE 79 -0.797 -0.497 -1.975 595 H LEU 80 H LEU 80 0.575 2.362 -6.847 596 HA LEU 80 HA LEU 80 3.160 3.162 -7.592 597 HB2 LEU 80 1HB LEU 80 0.709 2.332 -9.078 598 HB3 LEU 80 2HB LEU 80 2.080 2.987 -9.971 599 HG LEU 80 HG LEU 80 2.247 0.591 -8.149 600 HD11 LEU 80 1HD1 LEU 80 2.284 0.441 -11.133 601 HD12 LEU 80 2HD1 LEU 80 0.751 0.438 -10.263 602 HD13 LEU 80 3HD1 LEU 80 1.945 -0.822 -9.950 603 HD21 LEU 80 1HD2 LEU 80 4.197 0.793 -10.259 604 HD22 LEU 80 2HD2 LEU 80 4.437 0.639 -8.519 605 HD23 LEU 80 3HD2 LEU 80 4.220 2.233 -9.242 606 H ASN 81 H ASN 81 0.098 4.837 -7.633 607 HA ASN 81 HA ASN 81 0.710 6.912 -9.406 608 HB2 ASN 81 1HB ASN 81 -1.536 6.834 -8.832 609 HB3 ASN 81 2HB ASN 81 -1.197 6.610 -7.118 610 HD21 ASN 81 1HD2 ASN 81 -2.650 8.264 -6.602 611 HD22 ASN 81 2HD2 ASN 81 -2.241 9.928 -6.823 612 H LEU 82 H LEU 82 1.191 6.671 -5.899 613 HA LEU 82 HA LEU 82 2.416 9.265 -5.727 614 HB2 LEU 82 1HB LEU 82 2.402 7.022 -3.714 615 HB3 LEU 82 2HB LEU 82 2.821 8.706 -3.403 616 HG LEU 82 HG LEU 82 0.083 7.790 -4.272 617 HD11 LEU 82 1HD1 LEU 82 0.447 6.800 -2.149 618 HD12 LEU 82 2HD1 LEU 82 -0.514 8.252 -1.874 619 HD13 LEU 82 3HD1 LEU 82 1.214 8.259 -1.523 620 HD21 LEU 82 1HD2 LEU 82 -0.413 10.081 -3.143 621 HD22 LEU 82 2HD2 LEU 82 0.202 10.034 -4.795 622 HD23 LEU 82 3HD2 LEU 82 1.293 10.398 -3.457 623 H GLU 83 H GLU 83 3.489 5.972 -6.126 624 HA GLU 83 HA GLU 83 6.128 6.107 -5.342 625 HB2 GLU 83 1HB GLU 83 5.214 4.012 -6.035 626 HB3 GLU 83 2HB GLU 83 4.855 4.628 -7.641 627 HG2 GLU 83 1HG GLU 83 7.412 4.977 -7.815 628 HG3 GLU 83 2HG GLU 83 7.485 3.844 -6.466 629 H GLU 84 H GLU 84 4.713 7.085 -8.442 630 HA GLU 84 HA GLU 84 7.212 7.883 -9.575 631 HB2 GLU 84 1HB GLU 84 4.336 8.196 -10.356 632 HB3 GLU 84 2HB GLU 84 5.573 9.120 -11.197 633 HG2 GLU 84 1HG GLU 84 5.569 6.123 -10.933 634 HG3 GLU 84 2HG GLU 84 4.956 7.010 -12.328 635 H GLU 85 H GLU 85 4.435 9.664 -8.243 636 HA GLU 85 HA GLU 85 5.315 12.248 -8.613 637 HB2 GLU 85 1HB GLU 85 3.094 11.719 -7.751 638 HB3 GLU 85 2HB GLU 85 3.796 11.127 -6.252 639 HG2 GLU 85 1HG GLU 85 3.080 13.234 -5.669 640 HG3 GLU 85 2HG GLU 85 4.780 13.505 -6.046 641 H TYR 86 H TYR 86 6.185 9.974 -6.060 642 HA TYR 86 HA TYR 86 7.734 11.862 -4.573 643 HB2 TYR 86 1HB TYR 86 7.487 8.860 -4.494 644 HB3 TYR 86 2HB TYR 86 8.622 9.728 -3.466 645 HD1 TYR 86 2HD TYR 86 7.143 12.068 -2.616 646 HD2 TYR 86 1HD TYR 86 5.779 8.073 -3.145 647 HE1 TYR 86 2HE TYR 86 5.356 12.467 -0.974 648 HE2 TYR 86 1HE TYR 86 3.987 8.461 -1.506 649 HH TYR 86 HH TYR 86 3.621 11.609 0.104 650 H LEU 87 H LEU 87 8.542 9.188 -6.773 651 HA LEU 87 HA LEU 87 11.287 9.283 -6.671 652 HB2 LEU 87 1HB LEU 87 9.315 8.542 -8.759 653 HB3 LEU 87 2HB LEU 87 10.995 8.732 -9.256 654 HG LEU 87 HG LEU 87 10.123 6.889 -7.038 655 HD11 LEU 87 1HD1 LEU 87 10.244 6.482 -9.988 656 HD12 LEU 87 2HD1 LEU 87 9.080 5.872 -8.812 657 HD13 LEU 87 3HD1 LEU 87 10.689 5.156 -8.913 658 HD21 LEU 87 1HD2 LEU 87 12.353 7.067 -6.696 659 HD22 LEU 87 2HD2 LEU 87 12.679 7.587 -8.349 660 HD23 LEU 87 3HD2 LEU 87 12.409 5.879 -7.999 661 H ALA 88 H ALA 88 9.092 11.379 -8.456 662 HA ALA 88 HA ALA 88 10.811 12.709 -10.136 663 HB1 ALA 88 1HB ALA 88 8.517 13.205 -10.299 664 HB2 ALA 88 2HB ALA 88 8.421 13.702 -8.609 665 HB3 ALA 88 3HB ALA 88 9.284 14.705 -9.774 666 H ASP 89 H ASP 89 10.567 12.937 -6.674 667 HA ASP 89 HA ASP 89 12.148 15.348 -6.497 668 HB2 ASP 89 1HB ASP 89 10.371 14.749 -4.834 669 HB3 ASP 89 2HB ASP 89 11.398 13.427 -4.286 670 H SER 90 H SER 90 13.533 13.539 -7.993 671 HA SER 90 HA SER 90 15.714 12.742 -6.178 672 HB2 SER 90 1HB SER 90 14.532 10.767 -7.089 673 HB3 SER 90 2HB SER 90 14.879 11.329 -8.724 674 HG SER 90 HG SER 90 16.718 10.483 -6.743 675 H GLY 91 H GLY 91 15.637 15.272 -7.253 676 HA2 GLY 91 1HA GLY 91 18.129 15.628 -8.349 677 HA3 GLY 91 2HA GLY 91 17.061 15.433 -9.731 678 HA PRO 92 HA PRO 92 17.141 19.928 -8.706 679 HB2 PRO 92 1HB PRO 92 17.228 20.741 -11.295 680 HB3 PRO 92 2HB PRO 92 18.675 20.315 -10.373 681 HG2 PRO 92 1HG PRO 92 17.137 18.674 -12.349 682 HG3 PRO 92 2HG PRO 92 18.892 18.851 -12.166 683 HD2 PRO 92 1HD PRO 92 17.537 16.709 -11.212 684 HD3 PRO 92 2HD PRO 92 18.988 17.353 -10.417 685 H SER 93 H SER 93 15.275 20.939 -8.343 686 HA SER 93 HA SER 93 12.915 20.146 -9.892 687 HB2 SER 93 1HB SER 93 12.567 19.887 -7.544 688 HB3 SER 93 2HB SER 93 13.227 21.486 -7.202 689 HG SER 93 HG SER 93 11.418 22.342 -8.386 690 H SER 94 H SER 94 14.357 23.104 -8.519 691 HA SER 94 HA SER 94 13.780 24.557 -10.950 692 HB2 SER 94 1HB SER 94 12.398 26.265 -9.926 693 HB3 SER 94 2HB SER 94 11.646 24.692 -9.663 694 HG SER 94 HG SER 94 11.647 25.881 -7.744 695 H GLY 95 H GLY 95 15.315 26.037 -11.316 696 HA2 GLY 95 1HA GLY 95 17.002 26.841 -9.025 697 HA3 GLY 95 2HA GLY 95 17.649 26.516 -10.627 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -30.219 14.480 -10.841 2 HA2 GLY 1 1HA GLY 1 -28.422 12.952 -11.477 3 HA3 GLY 1 2HA GLY 1 -27.307 14.298 -11.295 4 H SER 2 H SER 2 -27.340 11.626 -10.029 5 HA SER 2 HA SER 2 -26.589 12.423 -7.416 6 HB2 SER 2 1HB SER 2 -29.192 12.375 -7.384 7 HB3 SER 2 2HB SER 2 -28.996 10.622 -7.382 8 HG SER 2 HG SER 2 -27.447 11.167 -5.544 9 H SER 3 H SER 3 -25.141 11.008 -6.661 10 HA SER 3 HA SER 3 -24.464 8.708 -8.202 11 HB2 SER 3 1HB SER 3 -22.786 10.084 -6.991 12 HB3 SER 3 2HB SER 3 -23.453 9.512 -5.463 13 HG SER 3 HG SER 3 -22.397 7.714 -5.703 14 H GLY 4 H GLY 4 -24.445 6.513 -7.528 15 HA2 GLY 4 1HA GLY 4 -25.508 5.517 -5.148 16 HA3 GLY 4 2HA GLY 4 -26.838 5.663 -6.287 17 H SER 5 H SER 5 -26.981 3.322 -6.030 18 HA SER 5 HA SER 5 -26.636 1.175 -6.707 19 HB2 SER 5 1HB SER 5 -25.261 2.438 -9.087 20 HB3 SER 5 2HB SER 5 -26.031 0.853 -9.019 21 HG SER 5 HG SER 5 -27.929 2.375 -8.317 22 H SER 6 H SER 6 -24.769 2.057 -4.880 23 HA SER 6 HA SER 6 -22.548 0.305 -5.500 24 HB2 SER 6 1HB SER 6 -20.805 1.868 -5.301 25 HB3 SER 6 2HB SER 6 -21.989 2.696 -6.313 26 HG SER 6 HG SER 6 -21.630 4.187 -4.825 27 H GLY 7 H GLY 7 -21.060 0.098 -3.570 28 HA2 GLY 7 1HA GLY 7 -21.934 0.974 -1.009 29 HA3 GLY 7 2HA GLY 7 -22.477 -0.669 -1.315 30 H ARG 8 H ARG 8 -20.516 0.453 0.629 31 HA ARG 8 HA ARG 8 -18.041 -0.834 -0.261 32 HB2 ARG 8 1HB ARG 8 -18.729 1.209 1.789 33 HB3 ARG 8 2HB ARG 8 -17.361 0.156 2.127 34 HG2 ARG 8 1HG ARG 8 -17.591 1.645 -0.464 35 HG3 ARG 8 2HG ARG 8 -16.898 2.386 0.980 36 HD2 ARG 8 1HD ARG 8 -15.231 0.620 1.108 37 HD3 ARG 8 2HD ARG 8 -15.947 -0.177 -0.292 38 HE ARG 8 HE ARG 8 -15.358 2.254 -1.265 39 HH11 ARG 8 1HH1 ARG 8 -13.491 -0.043 0.568 40 HH12 ARG 8 2HH1 ARG 8 -11.978 0.436 -0.125 41 HH21 ARG 8 1HH2 ARG 8 -13.371 2.893 -2.186 42 HH22 ARG 8 2HH2 ARG 8 -11.910 2.107 -1.691 43 H ILE 9 H ILE 9 -16.876 -2.201 1.317 44 HA ILE 9 HA ILE 9 -18.403 -3.455 3.414 45 HB ILE 9 HB ILE 9 -18.054 -5.768 2.411 46 HG12 ILE 9 1HG1 ILE 9 -18.141 -5.734 -0.135 47 HG13 ILE 9 2HG1 ILE 9 -17.640 -4.049 -0.035 48 HG21 ILE 9 1HG2 ILE 9 -20.230 -4.479 2.608 49 HG22 ILE 9 2HG2 ILE 9 -20.033 -4.086 0.901 50 HG23 ILE 9 3HG2 ILE 9 -20.185 -5.768 1.406 51 HD11 ILE 9 1HD1 ILE 9 -15.957 -6.155 -0.254 52 HD12 ILE 9 2HD1 ILE 9 -15.518 -4.585 0.420 53 HD13 ILE 9 3HD1 ILE 9 -15.974 -5.910 1.492 54 H VAL 10 H VAL 10 -17.137 -5.131 4.551 55 HA VAL 10 HA VAL 10 -14.282 -4.457 4.464 56 HB VAL 10 HB VAL 10 -15.783 -5.902 6.650 57 HG11 VAL 10 1HG1 VAL 10 -13.207 -6.089 6.329 58 HG12 VAL 10 2HG1 VAL 10 -13.193 -4.450 6.983 59 HG13 VAL 10 3HG1 VAL 10 -13.868 -5.774 7.933 60 HG21 VAL 10 1HG2 VAL 10 -16.372 -3.412 6.052 61 HG22 VAL 10 2HG2 VAL 10 -16.185 -3.918 7.731 62 HG23 VAL 10 3HG2 VAL 10 -14.868 -3.079 6.911 63 H GLY 11 H GLY 11 -16.469 -7.251 4.653 64 HA2 GLY 11 1HA GLY 11 -16.188 -9.330 3.644 65 HA3 GLY 11 2HA GLY 11 -14.574 -8.842 3.149 66 H GLU 12 H GLU 12 -14.839 -11.353 4.023 67 HA GLU 12 HA GLU 12 -14.218 -11.457 6.863 68 HB2 GLU 12 1HB GLU 12 -14.633 -13.568 4.755 69 HB3 GLU 12 2HB GLU 12 -14.048 -13.959 6.366 70 HG2 GLU 12 1HG GLU 12 -16.050 -13.370 7.377 71 HG3 GLU 12 2HG GLU 12 -16.573 -12.403 5.999 72 H LEU 13 H LEU 13 -12.301 -12.510 7.665 73 HA LEU 13 HA LEU 13 -9.930 -11.521 6.608 74 HB2 LEU 13 1HB LEU 13 -10.633 -13.577 8.629 75 HB3 LEU 13 2HB LEU 13 -8.972 -13.545 8.041 76 HG LEU 13 HG LEU 13 -9.125 -11.002 8.672 77 HD11 LEU 13 1HD1 LEU 13 -10.533 -11.099 10.934 78 HD12 LEU 13 2HD1 LEU 13 -11.499 -12.208 9.962 79 HD13 LEU 13 3HD1 LEU 13 -11.222 -10.558 9.403 80 HD21 LEU 13 1HD2 LEU 13 -8.345 -13.400 10.081 81 HD22 LEU 13 2HD2 LEU 13 -8.816 -12.121 11.200 82 HD23 LEU 13 3HD2 LEU 13 -7.550 -11.828 10.006 83 H GLU 14 H GLU 14 -11.059 -14.908 6.550 84 HA GLU 14 HA GLU 14 -9.046 -15.966 4.976 85 HB2 GLU 14 1HB GLU 14 -11.879 -16.707 5.513 86 HB3 GLU 14 2HB GLU 14 -11.068 -17.509 4.176 87 HG2 GLU 14 1HG GLU 14 -9.693 -17.394 6.808 88 HG3 GLU 14 2HG GLU 14 -11.039 -18.513 6.600 89 H GLN 15 H GLN 15 -12.019 -14.336 3.988 90 HA GLN 15 HA GLN 15 -11.867 -14.825 1.241 91 HB2 GLN 15 1HB GLN 15 -13.052 -12.530 2.797 92 HB3 GLN 15 2HB GLN 15 -13.215 -12.680 1.052 93 HG2 GLN 15 1HG GLN 15 -14.035 -14.927 2.840 94 HG3 GLN 15 2HG GLN 15 -15.100 -13.545 2.592 95 HE21 GLN 15 1HE2 GLN 15 -15.403 -12.955 0.232 96 HE22 GLN 15 2HE2 GLN 15 -15.660 -14.269 -0.859 97 H MET 16 H MET 16 -10.328 -12.375 3.240 98 HA MET 16 HA MET 16 -9.404 -10.623 1.315 99 HB2 MET 16 1HB MET 16 -7.965 -11.538 3.812 100 HB3 MET 16 2HB MET 16 -7.577 -10.094 2.887 101 HG2 MET 16 1HG MET 16 -10.035 -9.437 3.334 102 HG3 MET 16 2HG MET 16 -9.951 -10.650 4.609 103 HE1 MET 16 1HE MET 16 -10.776 -7.894 5.418 104 HE2 MET 16 2HE MET 16 -10.332 -9.039 6.684 105 HE3 MET 16 3HE MET 16 -9.680 -7.400 6.709 106 H VAL 17 H VAL 17 -7.400 -10.422 0.209 107 HA VAL 17 HA VAL 17 -5.923 -12.942 -0.160 108 HB VAL 17 HB VAL 17 -5.715 -12.444 -2.567 109 HG11 VAL 17 1HG1 VAL 17 -7.949 -13.454 -1.204 110 HG12 VAL 17 2HG1 VAL 17 -8.583 -12.461 -2.518 111 HG13 VAL 17 3HG1 VAL 17 -7.464 -13.779 -2.868 112 HG21 VAL 17 1HG2 VAL 17 -6.806 -10.691 -3.635 113 HG22 VAL 17 2HG2 VAL 17 -7.903 -10.417 -2.281 114 HG23 VAL 17 3HG2 VAL 17 -6.209 -9.943 -2.153 115 H SER 18 H SER 18 -3.735 -12.767 -0.449 116 HA SER 18 HA SER 18 -2.595 -10.135 0.122 117 HB2 SER 18 1HB SER 18 -0.606 -11.293 0.814 118 HB3 SER 18 2HB SER 18 -1.983 -12.140 1.520 119 HG SER 18 HG SER 18 -1.670 -13.802 0.190 120 H GLU 19 H GLU 19 -1.837 -8.946 -1.487 121 HA GLU 19 HA GLU 19 -0.859 -10.311 -3.908 122 HB2 GLU 19 1HB GLU 19 -2.457 -7.822 -3.520 123 HB3 GLU 19 2HB GLU 19 -1.341 -7.891 -4.877 124 HG2 GLU 19 1HG GLU 19 -2.476 -9.688 -5.863 125 HG3 GLU 19 2HG GLU 19 -3.372 -10.040 -4.387 126 H ASP 20 H ASP 20 1.085 -9.710 -4.782 127 HA ASP 20 HA ASP 20 2.815 -8.130 -3.034 128 HB2 ASP 20 1HB ASP 20 4.551 -9.047 -4.814 129 HB3 ASP 20 2HB ASP 20 3.969 -10.062 -3.498 130 H VAL 21 H VAL 21 2.881 -6.024 -3.451 131 HA VAL 21 HA VAL 21 2.641 -5.099 -6.225 132 HB VAL 21 HB VAL 21 2.659 -3.295 -3.824 133 HG11 VAL 21 1HG1 VAL 21 2.477 -1.790 -5.457 134 HG12 VAL 21 2HG1 VAL 21 2.187 -3.038 -6.671 135 HG13 VAL 21 3HG1 VAL 21 0.845 -2.403 -5.719 136 HG21 VAL 21 1HG2 VAL 21 0.376 -4.950 -4.869 137 HG22 VAL 21 2HG2 VAL 21 0.977 -4.832 -3.214 138 HG23 VAL 21 3HG2 VAL 21 0.127 -3.469 -3.943 139 HA PRO 22 HA PRO 22 7.060 -4.486 -6.176 140 HB2 PRO 22 1HB PRO 22 7.216 -3.473 -8.690 141 HB3 PRO 22 2HB PRO 22 7.029 -5.199 -8.360 142 HG2 PRO 22 1HG PRO 22 4.955 -3.182 -9.128 143 HG3 PRO 22 2HG PRO 22 5.172 -4.842 -9.713 144 HD2 PRO 22 1HD PRO 22 3.327 -4.186 -7.842 145 HD3 PRO 22 2HD PRO 22 4.146 -5.761 -7.865 146 H LEU 23 H LEU 23 7.311 -2.825 -4.692 147 HA LEU 23 HA LEU 23 7.036 -0.097 -5.775 148 HB2 LEU 23 1HB LEU 23 5.473 -0.732 -3.892 149 HB3 LEU 23 2HB LEU 23 6.899 -0.838 -2.862 150 HG LEU 23 HG LEU 23 7.349 1.563 -3.340 151 HD11 LEU 23 1HD1 LEU 23 5.025 2.659 -4.121 152 HD12 LEU 23 2HD1 LEU 23 4.987 1.167 -5.060 153 HD13 LEU 23 3HD1 LEU 23 6.345 2.279 -5.228 154 HD21 LEU 23 1HD2 LEU 23 4.647 1.723 -2.270 155 HD22 LEU 23 2HD2 LEU 23 6.194 2.083 -1.502 156 HD23 LEU 23 3HD2 LEU 23 5.597 0.423 -1.550 157 H ASP 24 H ASP 24 8.876 0.983 -5.982 158 HA ASP 24 HA ASP 24 11.376 -0.098 -5.289 159 HB2 ASP 24 1HB ASP 24 10.904 1.600 -7.104 160 HB3 ASP 24 2HB ASP 24 10.812 2.819 -5.836 161 H HIS 25 H HIS 25 12.828 0.369 -3.663 162 HA HIS 25 HA HIS 25 11.702 1.134 -1.152 163 HB2 HIS 25 1HB HIS 25 13.455 -0.577 -1.310 164 HB3 HIS 25 2HB HIS 25 14.585 0.628 -1.920 165 HD1 HIS 25 1HD HIS 25 13.515 -0.949 1.135 166 HD2 HIS 25 2HD HIS 25 15.055 2.766 0.092 167 HE1 HIS 25 1HE HIS 25 14.374 0.048 3.278 168 H ARG 26 H ARG 26 12.951 2.895 -3.721 169 HA ARG 26 HA ARG 26 14.170 5.019 -2.224 170 HB2 ARG 26 1HB ARG 26 13.541 4.492 -5.083 171 HB3 ARG 26 2HB ARG 26 13.743 6.170 -4.598 172 HG2 ARG 26 1HG ARG 26 15.969 5.900 -4.095 173 HG3 ARG 26 2HG ARG 26 15.804 4.166 -3.811 174 HD2 ARG 26 1HD ARG 26 16.926 4.253 -5.839 175 HD3 ARG 26 2HD ARG 26 15.246 4.042 -6.328 176 HE ARG 26 HE ARG 26 16.152 6.784 -6.181 177 HH11 ARG 26 1HH1 ARG 26 15.717 3.963 -8.173 178 HH12 ARG 26 2HH1 ARG 26 15.714 4.853 -9.660 179 HH21 ARG 26 1HH2 ARG 26 16.149 7.967 -8.131 180 HH22 ARG 26 2HH2 ARG 26 15.961 7.130 -9.635 181 H VAL 27 H VAL 27 10.986 4.117 -2.891 182 HA VAL 27 HA VAL 27 10.027 6.837 -2.274 183 HB VAL 27 HB VAL 27 7.960 6.328 -3.454 184 HG11 VAL 27 1HG1 VAL 27 10.499 6.666 -4.642 185 HG12 VAL 27 2HG1 VAL 27 9.588 5.553 -5.666 186 HG13 VAL 27 3HG1 VAL 27 8.925 7.142 -5.279 187 HG21 VAL 27 1HG2 VAL 27 7.436 4.305 -4.427 188 HG22 VAL 27 2HG2 VAL 27 9.122 3.800 -4.539 189 HG23 VAL 27 3HG2 VAL 27 8.299 3.783 -2.980 190 H HIS 28 H HIS 28 10.323 3.697 -1.156 191 HA HIS 28 HA HIS 28 7.972 3.108 0.151 192 HB2 HIS 28 1HB HIS 28 10.849 2.560 0.790 193 HB3 HIS 28 2HB HIS 28 9.598 2.098 1.941 194 HD2 HIS 28 2HD HIS 28 8.365 1.567 -1.611 195 HE1 HIS 28 1HE HIS 28 9.912 -2.160 -0.302 196 HE2 HIS 28 2HE HIS 28 8.641 -0.956 -2.112 197 H ALA 29 H ALA 29 10.754 4.522 1.869 198 HA ALA 29 HA ALA 29 9.404 5.353 4.124 199 HB1 ALA 29 1HB ALA 29 11.384 6.181 4.745 200 HB2 ALA 29 2HB ALA 29 11.986 5.532 3.219 201 HB3 ALA 29 3HB ALA 29 11.495 7.222 3.325 202 H ARG 30 H ARG 30 9.837 7.068 1.063 203 HA ARG 30 HA ARG 30 8.856 9.562 1.767 204 HB2 ARG 30 1HB ARG 30 9.000 8.006 -0.763 205 HB3 ARG 30 2HB ARG 30 7.955 9.420 -0.744 206 HG2 ARG 30 1HG ARG 30 10.087 10.079 -1.574 207 HG3 ARG 30 2HG ARG 30 9.896 10.763 0.041 208 HD2 ARG 30 1HD ARG 30 11.239 8.934 0.966 209 HD3 ARG 30 2HD ARG 30 11.433 8.262 -0.652 210 HE ARG 30 HE ARG 30 12.383 10.774 -0.922 211 HH11 ARG 30 1HH1 ARG 30 13.040 8.212 1.341 212 HH12 ARG 30 2HH1 ARG 30 14.684 8.691 1.607 213 HH21 ARG 30 1HH2 ARG 30 14.545 11.415 -0.581 214 HH22 ARG 30 2HH2 ARG 30 15.539 10.514 0.513 215 H ILE 31 H ILE 31 7.075 6.686 0.707 216 HA ILE 31 HA ILE 31 4.519 7.974 0.854 217 HB ILE 31 HB ILE 31 5.192 5.033 0.714 218 HG12 ILE 31 1HG1 ILE 31 4.132 6.674 -1.559 219 HG13 ILE 31 2HG1 ILE 31 5.852 6.710 -1.190 220 HG21 ILE 31 1HG2 ILE 31 2.976 4.545 0.472 221 HG22 ILE 31 2HG2 ILE 31 2.853 5.933 1.551 222 HG23 ILE 31 3HG2 ILE 31 2.583 6.136 -0.179 223 HD11 ILE 31 1HD1 ILE 31 4.204 4.315 -1.952 224 HD12 ILE 31 2HD1 ILE 31 5.477 5.091 -2.895 225 HD13 ILE 31 3HD1 ILE 31 5.879 4.234 -1.407 226 H ILE 32 H ILE 32 6.418 5.886 2.963 227 HA ILE 32 HA ILE 32 4.380 5.449 4.890 228 HB ILE 32 HB ILE 32 7.382 5.295 5.180 229 HG12 ILE 32 1HG1 ILE 32 5.397 3.039 4.889 230 HG13 ILE 32 2HG1 ILE 32 6.227 3.760 3.514 231 HG21 ILE 32 1HG2 ILE 32 7.032 5.088 7.364 232 HG22 ILE 32 2HG2 ILE 32 5.284 5.138 7.140 233 HG23 ILE 32 3HG2 ILE 32 6.144 3.602 7.028 234 HD11 ILE 32 1HD1 ILE 32 7.106 1.652 5.077 235 HD12 ILE 32 2HD1 ILE 32 8.049 2.562 3.897 236 HD13 ILE 32 3HD1 ILE 32 8.082 3.025 5.598 237 H GLY 33 H GLY 33 6.668 8.014 4.337 238 HA2 GLY 33 1HA GLY 33 7.100 9.972 5.465 239 HA3 GLY 33 2HA GLY 33 5.379 9.936 5.818 240 H ALA 34 H ALA 34 4.854 9.978 7.893 241 HA ALA 34 HA ALA 34 6.647 10.092 9.986 242 HB1 ALA 34 1HB ALA 34 4.329 10.852 10.146 243 HB2 ALA 34 2HB ALA 34 3.776 9.177 10.118 244 HB3 ALA 34 3HB ALA 34 4.742 9.764 11.471 245 H ARG 35 H ARG 35 6.121 8.424 11.986 246 HA ARG 35 HA ARG 35 7.701 6.207 11.543 247 HB2 ARG 35 1HB ARG 35 5.713 6.947 13.639 248 HB3 ARG 35 2HB ARG 35 6.313 5.294 13.612 249 HG2 ARG 35 1HG ARG 35 8.238 7.574 13.546 250 HG3 ARG 35 2HG ARG 35 7.498 7.081 15.070 251 HD2 ARG 35 1HD ARG 35 8.251 4.693 14.329 252 HD3 ARG 35 2HD ARG 35 9.369 5.578 13.291 253 HE ARG 35 HE ARG 35 9.548 5.249 16.124 254 HH11 ARG 35 1HH1 ARG 35 10.314 7.381 13.480 255 HH12 ARG 35 2HH1 ARG 35 11.647 8.127 14.297 256 HH21 ARG 35 1HH2 ARG 35 11.301 6.223 17.210 257 HH22 ARG 35 2HH2 ARG 35 12.209 7.467 16.418 258 H GLY 36 H GLY 36 4.478 6.711 10.578 259 HA2 GLY 36 1HA GLY 36 4.166 4.595 8.933 260 HA3 GLY 36 2HA GLY 36 3.743 3.912 10.496 261 H LYS 37 H LYS 37 3.094 7.231 9.561 262 HA LYS 37 HA LYS 37 0.241 6.723 9.933 263 HB2 LYS 37 1HB LYS 37 1.199 8.573 11.193 264 HB3 LYS 37 2HB LYS 37 1.796 9.307 9.710 265 HG2 LYS 37 1HG LYS 37 -0.462 9.708 8.954 266 HG3 LYS 37 2HG LYS 37 -1.111 8.871 10.365 267 HD2 LYS 37 1HD LYS 37 0.654 11.303 10.563 268 HD3 LYS 37 2HD LYS 37 -1.107 11.395 10.483 269 HE2 LYS 37 1HE LYS 37 -1.237 9.962 12.490 270 HE3 LYS 37 2HE LYS 37 0.524 9.969 12.583 271 HZ1 LYS 37 1HZ LYS 37 0.454 12.376 12.853 272 HZ2 LYS 37 2HZ LYS 37 -0.426 11.603 14.073 273 HZ3 LYS 37 3HZ LYS 37 -1.237 12.352 12.791 274 H ALA 38 H ALA 38 2.274 8.574 7.655 275 HA ALA 38 HA ALA 38 0.471 9.184 5.720 276 HB1 ALA 38 1HB ALA 38 3.245 8.161 5.136 277 HB2 ALA 38 2HB ALA 38 2.276 9.246 4.138 278 HB3 ALA 38 3HB ALA 38 2.879 9.790 5.704 279 H ILE 39 H ILE 39 1.851 6.035 6.378 280 HA ILE 39 HA ILE 39 0.652 4.865 4.002 281 HB ILE 39 HB ILE 39 2.862 4.078 4.703 282 HG12 ILE 39 1HG1 ILE 39 2.303 1.607 4.801 283 HG13 ILE 39 2HG1 ILE 39 0.609 2.075 4.893 284 HG21 ILE 39 1HG2 ILE 39 1.960 4.307 7.243 285 HG22 ILE 39 2HG2 ILE 39 1.855 2.563 7.010 286 HG23 ILE 39 3HG2 ILE 39 3.394 3.392 6.778 287 HD11 ILE 39 1HD1 ILE 39 0.981 3.325 2.729 288 HD12 ILE 39 2HD1 ILE 39 2.527 2.482 2.626 289 HD13 ILE 39 3HD1 ILE 39 1.022 1.564 2.642 290 H ARG 40 H ARG 40 -0.001 5.207 7.389 291 HA ARG 40 HA ARG 40 -1.795 3.062 7.727 292 HB2 ARG 40 1HB ARG 40 -0.780 4.372 9.583 293 HB3 ARG 40 2HB ARG 40 -1.811 5.730 9.148 294 HG2 ARG 40 1HG ARG 40 -2.980 4.778 10.881 295 HG3 ARG 40 2HG ARG 40 -3.745 4.029 9.478 296 HD2 ARG 40 1HD ARG 40 -1.403 2.666 10.701 297 HD3 ARG 40 2HD ARG 40 -2.941 2.605 11.560 298 HE ARG 40 HE ARG 40 -2.257 1.231 9.135 299 HH11 ARG 40 1HH1 ARG 40 -4.865 2.534 11.038 300 HH12 ARG 40 2HH1 ARG 40 -6.060 1.477 10.362 301 HH21 ARG 40 1HH2 ARG 40 -3.821 -0.166 8.238 302 HH22 ARG 40 2HH2 ARG 40 -5.464 -0.059 8.770 303 H LYS 41 H LYS 41 -2.382 6.489 6.967 304 HA LYS 41 HA LYS 41 -5.143 6.440 6.820 305 HB2 LYS 41 1HB LYS 41 -4.997 8.428 5.487 306 HB3 LYS 41 2HB LYS 41 -3.691 8.470 6.664 307 HG2 LYS 41 1HG LYS 41 -2.081 7.870 5.008 308 HG3 LYS 41 2HG LYS 41 -3.347 7.553 3.819 309 HD2 LYS 41 1HD LYS 41 -3.908 9.859 3.678 310 HD3 LYS 41 2HD LYS 41 -2.918 10.252 5.086 311 HE2 LYS 41 1HE LYS 41 -1.002 9.224 3.598 312 HE3 LYS 41 2HE LYS 41 -2.098 9.653 2.285 313 HZ1 LYS 41 1HZ LYS 41 -1.054 11.516 4.349 314 HZ2 LYS 41 2HZ LYS 41 -2.116 11.931 3.100 315 HZ3 LYS 41 3HZ LYS 41 -0.539 11.434 2.740 316 H ILE 42 H ILE 42 -2.767 5.518 4.379 317 HA ILE 42 HA ILE 42 -4.586 5.146 2.251 318 HB ILE 42 HB ILE 42 -1.867 3.942 2.758 319 HG12 ILE 42 1HG1 ILE 42 -2.753 6.094 0.825 320 HG13 ILE 42 2HG1 ILE 42 -2.017 6.410 2.393 321 HG21 ILE 42 1HG2 ILE 42 -3.196 2.466 1.320 322 HG22 ILE 42 2HG2 ILE 42 -3.517 3.820 0.237 323 HG23 ILE 42 3HG2 ILE 42 -1.870 3.222 0.435 324 HD11 ILE 42 1HD1 ILE 42 -0.685 4.821 0.218 325 HD12 ILE 42 2HD1 ILE 42 -0.466 6.556 0.451 326 HD13 ILE 42 3HD1 ILE 42 0.035 5.426 1.709 327 H MET 43 H MET 43 -3.349 2.972 4.749 328 HA MET 43 HA MET 43 -4.433 0.583 3.760 329 HB2 MET 43 1HB MET 43 -3.537 1.536 6.445 330 HB3 MET 43 2HB MET 43 -4.439 0.030 6.346 331 HG2 MET 43 1HG MET 43 -2.765 -0.768 4.674 332 HG3 MET 43 2HG MET 43 -1.823 0.681 5.018 333 HE1 MET 43 1HE MET 43 0.486 -0.091 6.881 334 HE2 MET 43 2HE MET 43 -0.660 1.245 6.771 335 HE3 MET 43 3HE MET 43 -0.412 0.421 8.311 336 H ASP 44 H ASP 44 -5.714 2.692 6.340 337 HA ASP 44 HA ASP 44 -8.160 1.376 6.643 338 HB2 ASP 44 1HB ASP 44 -7.118 4.081 7.332 339 HB3 ASP 44 2HB ASP 44 -8.862 3.839 7.389 340 H GLU 45 H GLU 45 -7.157 3.894 4.407 341 HA GLU 45 HA GLU 45 -9.563 4.802 3.442 342 HB2 GLU 45 1HB GLU 45 -7.359 5.662 2.736 343 HB3 GLU 45 2HB GLU 45 -7.094 4.195 1.805 344 HG2 GLU 45 1HG GLU 45 -7.789 5.720 0.214 345 HG3 GLU 45 2HG GLU 45 -9.262 4.824 0.582 346 H PHE 46 H PHE 46 -7.715 2.039 2.147 347 HA PHE 46 HA PHE 46 -10.146 1.121 0.788 348 HB2 PHE 46 1HB PHE 46 -7.289 0.186 0.444 349 HB3 PHE 46 2HB PHE 46 -8.668 -0.312 -0.532 350 HD1 PHE 46 1HD PHE 46 -6.496 2.543 0.334 351 HD2 PHE 46 2HD PHE 46 -9.426 0.999 -2.339 352 HE1 PHE 46 1HE PHE 46 -6.081 4.421 -1.201 353 HE2 PHE 46 2HE PHE 46 -9.016 2.873 -3.878 354 HZ PHE 46 HZ PHE 46 -7.341 4.587 -3.311 355 H LYS 47 H LYS 47 -9.034 0.783 3.718 356 HA LYS 47 HA LYS 47 -9.122 -0.788 5.363 357 HB2 LYS 47 1HB LYS 47 -11.006 -2.255 3.515 358 HB3 LYS 47 2HB LYS 47 -10.934 -2.363 5.269 359 HG2 LYS 47 1HG LYS 47 -11.666 0.133 3.754 360 HG3 LYS 47 2HG LYS 47 -12.832 -1.019 4.409 361 HD2 LYS 47 1HD LYS 47 -10.757 0.069 6.241 362 HD3 LYS 47 2HD LYS 47 -12.082 1.133 5.761 363 HE2 LYS 47 1HE LYS 47 -12.651 -1.634 6.745 364 HE3 LYS 47 2HE LYS 47 -12.312 -0.341 7.893 365 HZ1 LYS 47 1HZ LYS 47 -14.314 0.546 7.575 366 HZ2 LYS 47 2HZ LYS 47 -14.739 -0.908 6.823 367 HZ3 LYS 47 3HZ LYS 47 -14.225 0.407 5.891 368 H VAL 48 H VAL 48 -6.996 -1.065 3.521 369 HA VAL 48 HA VAL 48 -6.691 -3.990 3.347 370 HB VAL 48 HB VAL 48 -4.947 -3.603 1.683 371 HG11 VAL 48 1HG1 VAL 48 -6.343 -2.983 -0.132 372 HG12 VAL 48 2HG1 VAL 48 -7.383 -3.768 1.058 373 HG13 VAL 48 3HG1 VAL 48 -7.381 -2.010 0.910 374 HG21 VAL 48 1HG2 VAL 48 -4.652 -1.150 2.778 375 HG22 VAL 48 2HG2 VAL 48 -4.041 -1.599 1.186 376 HG23 VAL 48 3HG2 VAL 48 -5.580 -0.750 1.332 377 H ASP 49 H ASP 49 -4.125 -4.448 3.301 378 HA ASP 49 HA ASP 49 -2.918 -3.055 5.591 379 HB2 ASP 49 1HB ASP 49 -4.020 -5.425 6.008 380 HB3 ASP 49 2HB ASP 49 -2.509 -6.000 5.311 381 H ILE 50 H ILE 50 -1.309 -2.003 4.569 382 HA ILE 50 HA ILE 50 0.299 -3.401 2.575 383 HB ILE 50 HB ILE 50 0.576 -0.537 3.480 384 HG12 ILE 50 1HG1 ILE 50 -0.826 -1.393 0.965 385 HG13 ILE 50 2HG1 ILE 50 -1.707 -1.295 2.486 386 HG21 ILE 50 1HG2 ILE 50 1.349 -0.764 0.838 387 HG22 ILE 50 2HG2 ILE 50 2.420 -0.655 2.234 388 HG23 ILE 50 3HG2 ILE 50 1.974 -2.233 1.586 389 HD11 ILE 50 1HD1 ILE 50 -0.244 0.952 1.121 390 HD12 ILE 50 2HD1 ILE 50 -1.991 0.736 1.223 391 HD13 ILE 50 3HD1 ILE 50 -1.057 1.065 2.682 392 H ARG 51 H ARG 51 1.905 -4.612 3.335 393 HA ARG 51 HA ARG 51 3.390 -3.677 5.695 394 HB2 ARG 51 1HB ARG 51 2.254 -5.970 5.678 395 HB3 ARG 51 2HB ARG 51 3.495 -6.452 4.530 396 HG2 ARG 51 1HG ARG 51 4.305 -7.167 6.590 397 HG3 ARG 51 2HG ARG 51 5.173 -5.661 6.285 398 HD2 ARG 51 1HD ARG 51 3.601 -4.460 7.718 399 HD3 ARG 51 2HD ARG 51 2.715 -5.957 8.008 400 HE ARG 51 HE ARG 51 5.125 -5.113 9.285 401 HH11 ARG 51 1HH1 ARG 51 3.319 -7.903 8.248 402 HH12 ARG 51 2HH1 ARG 51 4.024 -8.959 9.427 403 HH21 ARG 51 1HH2 ARG 51 6.060 -6.494 10.842 404 HH22 ARG 51 2HH2 ARG 51 5.582 -8.157 10.902 405 H PHE 52 H PHE 52 5.160 -2.584 5.154 406 HA PHE 52 HA PHE 52 6.493 -2.934 2.647 407 HB2 PHE 52 1HB PHE 52 7.051 -1.285 5.101 408 HB3 PHE 52 2HB PHE 52 8.206 -1.367 3.775 409 HD1 PHE 52 1HD PHE 52 7.386 -0.713 1.451 410 HD2 PHE 52 2HD PHE 52 5.264 0.198 5.027 411 HE1 PHE 52 1HE PHE 52 6.151 1.054 0.264 412 HE2 PHE 52 2HE PHE 52 4.025 1.965 3.845 413 HZ PHE 52 HZ PHE 52 4.467 2.394 1.461 414 HA PRO 53 HA PRO 53 9.389 -6.073 3.676 415 HB2 PRO 53 1HB PRO 53 11.448 -5.384 2.045 416 HB3 PRO 53 2HB PRO 53 9.946 -6.100 1.447 417 HG2 PRO 53 1HG PRO 53 10.791 -3.228 1.489 418 HG3 PRO 53 2HG PRO 53 9.987 -4.139 0.197 419 HD2 PRO 53 1HD PRO 53 8.645 -2.475 1.859 420 HD3 PRO 53 2HD PRO 53 7.910 -3.941 1.178 421 H GLN 54 H GLN 54 10.528 -6.212 5.496 422 HA GLN 54 HA GLN 54 11.944 -3.924 6.546 423 HB2 GLN 54 1HB GLN 54 11.174 -6.615 7.561 424 HB3 GLN 54 2HB GLN 54 12.543 -5.816 8.321 425 HG2 GLN 54 1HG GLN 54 11.239 -4.043 9.088 426 HG3 GLN 54 2HG GLN 54 9.923 -4.412 7.975 427 HE21 GLN 54 1HE2 GLN 54 11.770 -6.145 10.466 428 HE22 GLN 54 2HE2 GLN 54 10.391 -6.806 11.269 429 H SER 55 H SER 55 14.132 -4.703 7.743 430 HA SER 55 HA SER 55 16.085 -4.825 5.787 431 HB2 SER 55 1HB SER 55 17.637 -5.480 7.649 432 HB3 SER 55 2HB SER 55 16.635 -4.075 8.012 433 HG SER 55 HG SER 55 15.516 -5.216 9.443 434 H GLY 56 H GLY 56 14.792 -7.479 7.772 435 HA2 GLY 56 1HA GLY 56 16.329 -9.423 6.238 436 HA3 GLY 56 2HA GLY 56 15.329 -9.760 7.643 437 H ALA 57 H ALA 57 14.502 -8.095 4.620 438 HA ALA 57 HA ALA 57 12.318 -10.030 4.263 439 HB1 ALA 57 1HB ALA 57 11.848 -7.539 4.464 440 HB2 ALA 57 2HB ALA 57 12.561 -7.386 2.858 441 HB3 ALA 57 3HB ALA 57 11.123 -8.379 3.093 442 HA PRO 58 HA PRO 58 14.238 -11.760 0.703 443 HB2 PRO 58 1HB PRO 58 12.034 -12.640 -0.617 444 HB3 PRO 58 2HB PRO 58 12.659 -13.424 0.839 445 HG2 PRO 58 1HG PRO 58 10.398 -11.482 0.555 446 HG3 PRO 58 2HG PRO 58 10.486 -12.962 1.528 447 HD2 PRO 58 1HD PRO 58 10.828 -10.496 2.593 448 HD3 PRO 58 2HD PRO 58 11.666 -11.931 3.218 449 H ASP 59 H ASP 59 11.602 -9.459 0.285 450 HA ASP 59 HA ASP 59 12.880 -8.551 -2.206 451 HB2 ASP 59 1HB ASP 59 9.995 -9.152 -1.675 452 HB3 ASP 59 2HB ASP 59 10.414 -7.878 -2.818 453 HA PRO 60 HA PRO 60 12.781 -4.970 0.614 454 HB2 PRO 60 1HB PRO 60 14.937 -3.765 -0.514 455 HB3 PRO 60 2HB PRO 60 15.076 -5.041 0.701 456 HG2 PRO 60 1HG PRO 60 15.314 -5.228 -2.277 457 HG3 PRO 60 2HG PRO 60 16.313 -5.989 -1.025 458 HD2 PRO 60 1HD PRO 60 14.362 -7.325 -2.344 459 HD3 PRO 60 2HD PRO 60 14.788 -7.677 -0.657 460 H ASN 61 H ASN 61 12.135 -5.438 -2.631 461 HA ASN 61 HA ASN 61 11.394 -2.606 -2.979 462 HB2 ASN 61 1HB ASN 61 11.534 -3.286 -5.512 463 HB3 ASN 61 2HB ASN 61 12.998 -2.861 -4.629 464 HD21 ASN 61 1HD2 ASN 61 14.630 -4.194 -4.864 465 HD22 ASN 61 2HD2 ASN 61 14.530 -5.867 -5.286 466 H CYS 62 H CYS 62 10.040 -5.277 -2.081 467 HA CYS 62 HA CYS 62 7.618 -4.863 -3.700 468 HB2 CYS 62 1HB CYS 62 8.869 -7.025 -4.204 469 HB3 CYS 62 2HB CYS 62 8.434 -7.542 -2.580 470 HG CYS 62 HG CYS 62 5.760 -6.478 -4.203 471 H VAL 63 H VAL 63 5.704 -4.776 -2.611 472 HA VAL 63 HA VAL 63 5.866 -4.967 0.326 473 HB VAL 63 HB VAL 63 4.037 -3.331 0.427 474 HG11 VAL 63 1HG1 VAL 63 6.154 -2.364 0.669 475 HG12 VAL 63 2HG1 VAL 63 6.546 -2.579 -1.038 476 HG13 VAL 63 3HG1 VAL 63 5.357 -1.370 -0.551 477 HG21 VAL 63 1HG2 VAL 63 2.993 -2.413 -1.391 478 HG22 VAL 63 2HG2 VAL 63 4.376 -2.670 -2.455 479 HG23 VAL 63 3HG2 VAL 63 3.336 -4.025 -2.019 480 H THR 64 H THR 64 3.968 -5.696 1.449 481 HA THR 64 HA THR 64 2.369 -7.570 -0.165 482 HB THR 64 HB THR 64 3.162 -7.680 2.747 483 HG1 THR 64 1HG THR 64 4.685 -8.448 1.168 484 HG21 THR 64 1HG2 THR 64 1.851 -10.058 1.897 485 HG22 THR 64 2HG2 THR 64 0.797 -8.690 1.537 486 HG23 THR 64 3HG2 THR 64 1.381 -8.944 3.181 487 H VAL 65 H VAL 65 0.442 -6.715 -0.620 488 HA VAL 65 HA VAL 65 -0.909 -5.073 1.404 489 HB VAL 65 HB VAL 65 -1.555 -5.403 -1.530 490 HG11 VAL 65 1HG1 VAL 65 -2.635 -3.324 0.354 491 HG12 VAL 65 2HG1 VAL 65 -3.193 -3.728 -1.271 492 HG13 VAL 65 3HG1 VAL 65 -3.457 -4.856 0.059 493 HG21 VAL 65 1HG2 VAL 65 -0.675 -3.138 -1.777 494 HG22 VAL 65 2HG2 VAL 65 -0.243 -3.112 -0.067 495 HG23 VAL 65 3HG2 VAL 65 0.562 -4.235 -1.163 496 H THR 66 H THR 66 -2.460 -5.960 2.582 497 HA THR 66 HA THR 66 -3.685 -8.464 1.676 498 HB THR 66 HB THR 66 -4.076 -7.278 4.410 499 HG1 THR 66 1HG THR 66 -1.849 -8.777 3.458 500 HG21 THR 66 1HG2 THR 66 -4.301 -9.640 5.043 501 HG22 THR 66 2HG2 THR 66 -4.005 -10.113 3.370 502 HG23 THR 66 3HG2 THR 66 -5.453 -9.196 3.785 503 H GLY 67 H GLY 67 -5.994 -8.789 1.993 504 HA2 GLY 67 1HA GLY 67 -8.111 -7.577 2.623 505 HA3 GLY 67 2HA GLY 67 -7.493 -6.270 1.624 506 H LEU 68 H LEU 68 -9.942 -7.168 1.035 507 HA LEU 68 HA LEU 68 -10.216 -9.338 -0.672 508 HB2 LEU 68 1HB LEU 68 -11.650 -6.701 -0.551 509 HB3 LEU 68 2HB LEU 68 -12.112 -7.970 -1.683 510 HG LEU 68 HG LEU 68 -13.556 -7.966 0.275 511 HD11 LEU 68 1HD1 LEU 68 -13.712 -10.149 -0.065 512 HD12 LEU 68 2HD1 LEU 68 -12.352 -10.411 1.025 513 HD13 LEU 68 3HD1 LEU 68 -12.068 -10.187 -0.701 514 HD21 LEU 68 1HD2 LEU 68 -11.969 -7.021 1.881 515 HD22 LEU 68 2HD2 LEU 68 -11.041 -8.521 1.848 516 HD23 LEU 68 3HD2 LEU 68 -12.687 -8.515 2.483 517 HA PRO 69 HA PRO 69 -8.186 -8.307 -4.425 518 HB2 PRO 69 1HB PRO 69 -9.828 -9.461 -6.253 519 HB3 PRO 69 2HB PRO 69 -8.777 -10.394 -5.182 520 HG2 PRO 69 1HG PRO 69 -11.700 -9.804 -4.924 521 HG3 PRO 69 2HG PRO 69 -10.838 -11.327 -4.642 522 HD2 PRO 69 1HD PRO 69 -11.599 -9.688 -2.625 523 HD3 PRO 69 2HD PRO 69 -10.131 -10.684 -2.544 524 H GLU 70 H GLU 70 -11.418 -7.255 -3.840 525 HA GLU 70 HA GLU 70 -11.554 -5.610 -6.225 526 HB2 GLU 70 1HB GLU 70 -13.736 -4.887 -5.320 527 HB3 GLU 70 2HB GLU 70 -13.605 -6.636 -5.441 528 HG2 GLU 70 1HG GLU 70 -13.472 -6.917 -3.148 529 HG3 GLU 70 2HG GLU 70 -12.968 -5.251 -2.873 530 H ASN 71 H ASN 71 -10.695 -5.302 -2.877 531 HA ASN 71 HA ASN 71 -10.692 -2.389 -3.008 532 HB2 ASN 71 1HB ASN 71 -10.179 -4.355 -0.777 533 HB3 ASN 71 2HB ASN 71 -9.896 -2.626 -0.595 534 HD21 ASN 71 1HD2 ASN 71 -11.785 -4.402 0.763 535 HD22 ASN 71 2HD2 ASN 71 -13.349 -3.716 0.499 536 H VAL 72 H VAL 72 -8.452 -5.099 -2.774 537 HA VAL 72 HA VAL 72 -6.091 -3.646 -2.341 538 HB VAL 72 HB VAL 72 -6.438 -6.267 -3.805 539 HG11 VAL 72 1HG1 VAL 72 -3.935 -5.637 -2.373 540 HG12 VAL 72 2HG1 VAL 72 -4.193 -6.524 -3.877 541 HG13 VAL 72 3HG1 VAL 72 -4.217 -4.760 -3.877 542 HG21 VAL 72 1HG2 VAL 72 -7.103 -5.783 -1.235 543 HG22 VAL 72 2HG2 VAL 72 -6.504 -7.336 -1.819 544 HG23 VAL 72 3HG2 VAL 72 -5.398 -6.197 -1.050 545 H GLU 73 H GLU 73 -7.391 -4.948 -5.400 546 HA GLU 73 HA GLU 73 -5.586 -4.103 -7.211 547 HB2 GLU 73 1HB GLU 73 -7.363 -3.915 -8.843 548 HB3 GLU 73 2HB GLU 73 -7.699 -5.264 -7.767 549 HG2 GLU 73 1HG GLU 73 -9.249 -3.819 -6.500 550 HG3 GLU 73 2HG GLU 73 -8.963 -2.535 -7.673 551 H GLU 74 H GLU 74 -8.107 -2.054 -5.778 552 HA GLU 74 HA GLU 74 -7.413 0.290 -7.202 553 HB2 GLU 74 1HB GLU 74 -8.760 0.120 -4.503 554 HB3 GLU 74 2HB GLU 74 -8.831 1.464 -5.633 555 HG2 GLU 74 1HG GLU 74 -9.881 -0.215 -7.259 556 HG3 GLU 74 2HG GLU 74 -10.123 -1.228 -5.837 557 H ALA 75 H ALA 75 -6.574 -0.862 -3.949 558 HA ALA 75 HA ALA 75 -5.106 1.322 -3.072 559 HB1 ALA 75 1HB ALA 75 -5.406 -1.457 -2.314 560 HB2 ALA 75 2HB ALA 75 -3.767 -0.868 -2.027 561 HB3 ALA 75 3HB ALA 75 -5.143 -0.033 -1.306 562 H ILE 76 H ILE 76 -4.001 -1.505 -4.920 563 HA ILE 76 HA ILE 76 -1.293 -0.995 -5.010 564 HB ILE 76 HB ILE 76 -2.996 -2.090 -7.252 565 HG12 ILE 76 1HG1 ILE 76 -1.632 -3.379 -4.890 566 HG13 ILE 76 2HG1 ILE 76 -3.336 -3.447 -5.326 567 HG21 ILE 76 1HG2 ILE 76 -0.346 -3.160 -7.143 568 HG22 ILE 76 2HG2 ILE 76 -1.149 -2.306 -8.460 569 HG23 ILE 76 3HG2 ILE 76 -0.270 -1.401 -7.229 570 HD11 ILE 76 1HD1 ILE 76 -1.285 -5.261 -5.985 571 HD12 ILE 76 2HD1 ILE 76 -2.983 -5.307 -6.459 572 HD13 ILE 76 3HD1 ILE 76 -1.804 -4.489 -7.483 573 H ASP 77 H ASP 77 -3.782 0.187 -7.264 574 HA ASP 77 HA ASP 77 -2.154 1.624 -8.983 575 HB2 ASP 77 1HB ASP 77 -4.562 1.225 -9.360 576 HB3 ASP 77 2HB ASP 77 -4.943 2.366 -8.073 577 H HIS 78 H HIS 78 -3.702 2.721 -5.978 578 HA HIS 78 HA HIS 78 -2.806 5.371 -6.056 579 HB2 HIS 78 1HB HIS 78 -4.556 4.651 -4.523 580 HB3 HIS 78 2HB HIS 78 -3.415 3.619 -3.667 581 HD1 HIS 78 1HD HIS 78 -4.721 7.040 -3.782 582 HD2 HIS 78 2HD HIS 78 -1.419 5.094 -2.178 583 HE1 HIS 78 1HE HIS 78 -3.759 8.632 -2.089 584 H ILE 79 H ILE 79 -1.284 2.442 -4.823 585 HA ILE 79 HA ILE 79 0.880 3.646 -3.499 586 HB ILE 79 HB ILE 79 0.753 0.946 -4.848 587 HG12 ILE 79 1HG1 ILE 79 0.469 1.581 -1.912 588 HG13 ILE 79 2HG1 ILE 79 -0.915 1.483 -2.995 589 HG21 ILE 79 1HG2 ILE 79 2.803 2.243 -3.106 590 HG22 ILE 79 2HG2 ILE 79 2.566 0.498 -3.034 591 HG23 ILE 79 3HG2 ILE 79 3.020 1.263 -4.556 592 HD11 ILE 79 1HD1 ILE 79 0.737 -0.841 -3.290 593 HD12 ILE 79 2HD1 ILE 79 0.308 -0.596 -1.596 594 HD13 ILE 79 3HD1 ILE 79 -0.958 -0.718 -2.818 595 H LEU 80 H LEU 80 0.823 2.132 -6.732 596 HA LEU 80 HA LEU 80 3.386 2.932 -7.503 597 HB2 LEU 80 1HB LEU 80 0.929 2.066 -8.937 598 HB3 LEU 80 2HB LEU 80 2.233 2.787 -9.879 599 HG LEU 80 HG LEU 80 2.523 0.354 -8.117 600 HD11 LEU 80 1HD1 LEU 80 1.155 -0.338 -9.886 601 HD12 LEU 80 2HD1 LEU 80 2.788 -0.775 -10.387 602 HD13 LEU 80 3HD1 LEU 80 2.015 0.660 -11.059 603 HD21 LEU 80 1HD2 LEU 80 4.701 0.726 -8.326 604 HD22 LEU 80 2HD2 LEU 80 4.413 2.113 -9.377 605 HD23 LEU 80 3HD2 LEU 80 4.530 0.492 -10.066 606 H ASN 81 H ASN 81 0.323 4.622 -7.601 607 HA ASN 81 HA ASN 81 0.946 6.682 -9.368 608 HB2 ASN 81 1HB ASN 81 -1.290 6.656 -8.773 609 HB3 ASN 81 2HB ASN 81 -0.941 6.408 -7.064 610 HD21 ASN 81 1HD2 ASN 81 -1.970 8.060 -6.137 611 HD22 ASN 81 2HD2 ASN 81 -1.687 9.728 -6.492 612 H LEU 82 H LEU 82 1.341 6.578 -5.831 613 HA LEU 82 HA LEU 82 2.546 9.126 -5.619 614 HB2 LEU 82 1HB LEU 82 2.900 6.787 -3.755 615 HB3 LEU 82 2HB LEU 82 3.122 8.493 -3.375 616 HG LEU 82 HG LEU 82 0.459 7.327 -4.157 617 HD11 LEU 82 1HD1 LEU 82 1.769 7.524 -1.466 618 HD12 LEU 82 2HD1 LEU 82 0.967 6.140 -2.207 619 HD13 LEU 82 3HD1 LEU 82 0.015 7.516 -1.651 620 HD21 LEU 82 1HD2 LEU 82 -0.367 9.354 -2.992 621 HD22 LEU 82 2HD2 LEU 82 0.598 9.712 -4.424 622 HD23 LEU 82 3HD2 LEU 82 1.303 9.892 -2.817 623 H GLU 83 H GLU 83 3.920 5.850 -5.744 624 HA GLU 83 HA GLU 83 6.554 6.246 -5.351 625 HB2 GLU 83 1HB GLU 83 5.703 4.067 -5.933 626 HB3 GLU 83 2HB GLU 83 5.281 4.613 -7.550 627 HG2 GLU 83 1HG GLU 83 7.770 5.078 -7.854 628 HG3 GLU 83 2HG GLU 83 8.001 4.112 -6.398 629 H GLU 84 H GLU 84 4.952 6.766 -8.493 630 HA GLU 84 HA GLU 84 7.203 7.753 -9.839 631 HB2 GLU 84 1HB GLU 84 4.246 8.116 -10.276 632 HB3 GLU 84 2HB GLU 84 5.434 8.868 -11.332 633 HG2 GLU 84 1HG GLU 84 5.583 5.939 -10.803 634 HG3 GLU 84 2HG GLU 84 4.396 6.564 -11.946 635 H GLU 85 H GLU 85 4.579 9.487 -8.179 636 HA GLU 85 HA GLU 85 5.303 12.086 -8.690 637 HB2 GLU 85 1HB GLU 85 3.274 11.617 -7.504 638 HB3 GLU 85 2HB GLU 85 4.154 10.874 -6.176 639 HG2 GLU 85 1HG GLU 85 3.335 13.095 -5.596 640 HG3 GLU 85 2HG GLU 85 5.096 13.017 -5.559 641 H TYR 86 H TYR 86 6.574 9.945 -6.170 642 HA TYR 86 HA TYR 86 8.342 11.929 -5.098 643 HB2 TYR 86 1HB TYR 86 8.054 8.958 -4.688 644 HB3 TYR 86 2HB TYR 86 9.351 9.877 -3.932 645 HD1 TYR 86 2HD TYR 86 8.350 12.193 -2.826 646 HD2 TYR 86 1HD TYR 86 6.274 8.510 -3.306 647 HE1 TYR 86 2HE TYR 86 6.843 12.808 -0.982 648 HE2 TYR 86 1HE TYR 86 4.761 9.116 -1.464 649 HH TYR 86 HH TYR 86 5.369 11.416 0.733 650 H LEU 87 H LEU 87 8.715 9.117 -7.224 651 HA LEU 87 HA LEU 87 11.452 9.048 -7.502 652 HB2 LEU 87 1HB LEU 87 9.186 8.398 -9.325 653 HB3 LEU 87 2HB LEU 87 10.827 8.377 -9.966 654 HG LEU 87 HG LEU 87 9.807 6.702 -7.672 655 HD11 LEU 87 1HD1 LEU 87 8.893 5.610 -9.441 656 HD12 LEU 87 2HD1 LEU 87 10.517 4.925 -9.514 657 HD13 LEU 87 3HD1 LEU 87 10.070 6.249 -10.590 658 HD21 LEU 87 1HD2 LEU 87 12.225 5.721 -8.732 659 HD22 LEU 87 2HD2 LEU 87 11.935 6.398 -7.129 660 HD23 LEU 87 3HD2 LEU 87 12.455 7.447 -8.449 661 H ALA 88 H ALA 88 9.147 11.010 -9.367 662 HA ALA 88 HA ALA 88 10.645 12.222 -11.228 663 HB1 ALA 88 1HB ALA 88 8.557 13.099 -11.253 664 HB2 ALA 88 2HB ALA 88 8.456 13.197 -9.495 665 HB3 ALA 88 3HB ALA 88 9.361 14.414 -10.395 666 H ASP 89 H ASP 89 10.788 12.919 -7.772 667 HA ASP 89 HA ASP 89 12.928 14.863 -8.224 668 HB2 ASP 89 1HB ASP 89 11.147 15.543 -6.698 669 HB3 ASP 89 2HB ASP 89 11.433 14.120 -5.701 670 H SER 90 H SER 90 14.282 12.998 -8.966 671 HA SER 90 HA SER 90 15.203 11.151 -6.954 672 HB2 SER 90 1HB SER 90 16.730 10.345 -8.710 673 HB3 SER 90 2HB SER 90 15.075 10.461 -9.309 674 HG SER 90 HG SER 90 17.327 11.924 -10.001 675 H GLY 91 H GLY 91 16.158 12.313 -5.313 676 HA2 GLY 91 1HA GLY 91 18.683 12.724 -4.936 677 HA3 GLY 91 2HA GLY 91 18.406 14.069 -6.032 678 HA PRO 92 HA PRO 92 17.864 15.699 -1.758 679 HB2 PRO 92 1HB PRO 92 19.111 18.057 -2.266 680 HB3 PRO 92 2HB PRO 92 19.981 16.590 -1.800 681 HG2 PRO 92 1HG PRO 92 19.573 17.767 -4.523 682 HG3 PRO 92 2HG PRO 92 21.041 17.069 -3.814 683 HD2 PRO 92 1HD PRO 92 19.459 15.699 -5.533 684 HD3 PRO 92 2HD PRO 92 20.362 14.905 -4.227 685 H SER 93 H SER 93 16.637 17.536 -1.032 686 HA SER 93 HA SER 93 14.888 18.647 -3.128 687 HB2 SER 93 1HB SER 93 13.671 17.147 -1.636 688 HB3 SER 93 2HB SER 93 14.248 18.041 -0.230 689 HG SER 93 HG SER 93 13.144 19.895 -1.176 690 H SER 94 H SER 94 15.481 20.673 -3.538 691 HA SER 94 HA SER 94 17.005 22.354 -1.981 692 HB2 SER 94 1HB SER 94 14.942 22.935 -4.099 693 HB3 SER 94 2HB SER 94 15.849 24.229 -3.316 694 HG SER 94 HG SER 94 17.758 23.268 -4.061 695 H GLY 95 H GLY 95 16.599 24.006 -0.519 696 HA2 GLY 95 1HA GLY 95 14.033 23.758 0.890 697 HA3 GLY 95 2HA GLY 95 15.516 24.416 1.565
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