NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504333 | 2ecv | 11163 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 6.919 -32.330 13.746 2 HA2 GLY 1 1HA GLY 1 6.793 -29.621 14.823 3 HA3 GLY 1 2HA GLY 1 8.399 -30.281 14.550 4 H SER 2 H SER 2 5.364 -30.431 12.690 5 HA SER 2 HA SER 2 6.598 -28.909 10.537 6 HB2 SER 2 1HB SER 2 6.259 -30.583 8.849 7 HB3 SER 2 2HB SER 2 7.170 -31.335 10.158 8 HG SER 2 HG SER 2 5.270 -32.506 9.254 9 H SER 3 H SER 3 5.145 -27.817 9.283 10 HA SER 3 HA SER 3 2.356 -28.470 9.223 11 HB2 SER 3 1HB SER 3 3.366 -26.357 11.068 12 HB3 SER 3 2HB SER 3 1.878 -26.026 10.181 13 HG SER 3 HG SER 3 1.428 -28.357 11.025 14 H GLY 4 H GLY 4 1.451 -27.690 7.409 15 HA2 GLY 4 1HA GLY 4 1.425 -25.425 6.105 16 HA3 GLY 4 2HA GLY 4 3.088 -25.888 5.772 17 H SER 5 H SER 5 -0.251 -26.471 5.064 18 HA SER 5 HA SER 5 0.467 -28.578 3.151 19 HB2 SER 5 1HB SER 5 -2.006 -28.950 3.009 20 HB3 SER 5 2HB SER 5 -1.345 -29.197 4.625 21 HG SER 5 HG SER 5 -2.399 -26.699 3.853 22 H SER 6 H SER 6 1.419 -27.135 1.631 23 HA SER 6 HA SER 6 -0.432 -25.281 0.307 24 HB2 SER 6 1HB SER 6 1.521 -24.244 -0.681 25 HB3 SER 6 2HB SER 6 1.789 -24.412 1.054 26 HG SER 6 HG SER 6 2.988 -26.334 0.559 27 H GLY 7 H GLY 7 -1.358 -25.847 -1.543 28 HA2 GLY 7 1HA GLY 7 -0.899 -28.336 -2.787 29 HA3 GLY 7 2HA GLY 7 -1.852 -27.019 -3.454 30 H MET 8 H MET 8 -0.278 -28.700 -5.034 31 HA MET 8 HA MET 8 2.291 -27.945 -5.623 32 HB2 MET 8 1HB MET 8 0.070 -28.761 -7.498 33 HB3 MET 8 2HB MET 8 1.748 -28.598 -7.999 34 HG2 MET 8 1HG MET 8 2.253 -30.252 -6.097 35 HG3 MET 8 2HG MET 8 0.525 -30.595 -6.141 36 HE1 MET 8 3HE MET 8 1.033 -32.903 -6.378 37 HE2 MET 8 1HE MET 8 -0.141 -32.910 -7.694 38 HE3 MET 8 2HE MET 8 1.406 -33.733 -7.889 39 H ALA 9 H ALA 9 3.282 -26.254 -6.569 40 HA ALA 9 HA ALA 9 1.725 -23.865 -7.048 41 HB1 ALA 9 3HB ALA 9 3.612 -23.159 -6.037 42 HB2 ALA 9 1HB ALA 9 4.571 -24.510 -6.641 43 HB3 ALA 9 2HB ALA 9 4.236 -23.129 -7.686 44 H SER 10 H SER 10 0.895 -25.607 -8.893 45 HA SER 10 HA SER 10 2.407 -25.212 -11.352 46 HB2 SER 10 1HB SER 10 -0.210 -26.683 -10.975 47 HB3 SER 10 2HB SER 10 0.882 -26.790 -12.356 48 HG SER 10 HG SER 10 2.120 -28.119 -11.279 49 H GLY 11 H GLY 11 1.955 -22.815 -11.051 50 HA2 GLY 11 1HA GLY 11 -0.689 -21.850 -11.551 51 HA3 GLY 11 2HA GLY 11 0.790 -20.901 -11.591 52 H ILE 12 H ILE 12 1.057 -23.610 -13.554 53 HA ILE 12 HA ILE 12 1.214 -22.079 -15.927 54 HB ILE 12 HB ILE 12 0.998 -25.073 -15.588 55 HG12 ILE 12 1HG1 ILE 12 3.461 -23.431 -16.172 56 HG13 ILE 12 2HG1 ILE 12 2.967 -23.840 -14.533 57 HG21 ILE 12 1HG2 ILE 12 1.214 -25.354 -17.806 58 HG22 ILE 12 2HG2 ILE 12 0.565 -23.718 -17.896 59 HG23 ILE 12 3HG2 ILE 12 2.307 -23.980 -17.976 60 HD11 ILE 12 3HD1 ILE 12 2.961 -26.278 -15.461 61 HD12 ILE 12 1HD1 ILE 12 4.025 -25.594 -16.690 62 HD13 ILE 12 2HD1 ILE 12 4.471 -25.502 -14.986 63 H LEU 13 H LEU 13 -0.223 -21.698 -17.527 64 HA LEU 13 HA LEU 13 -2.797 -23.084 -17.501 65 HB2 LEU 13 1HB LEU 13 -2.337 -20.209 -16.984 66 HB3 LEU 13 2HB LEU 13 -3.673 -20.614 -18.059 67 HG LEU 13 HG LEU 13 -4.301 -22.245 -16.067 68 HD11 LEU 13 1HD1 LEU 13 -2.141 -21.321 -14.902 69 HD12 LEU 13 2HD1 LEU 13 -3.605 -21.637 -13.971 70 HD13 LEU 13 3HD1 LEU 13 -3.209 -19.989 -14.458 71 HD21 LEU 13 3HD2 LEU 13 -5.873 -20.676 -16.799 72 HD22 LEU 13 1HD2 LEU 13 -4.849 -19.309 -16.359 73 HD23 LEU 13 2HD2 LEU 13 -5.620 -20.274 -15.100 74 H VAL 14 H VAL 14 -3.561 -23.520 -19.489 75 HA VAL 14 HA VAL 14 -2.008 -22.526 -21.769 76 HB VAL 14 HB VAL 14 -3.943 -24.841 -21.614 77 HG11 VAL 14 1HG1 VAL 14 -2.035 -24.586 -23.853 78 HG12 VAL 14 2HG1 VAL 14 -3.691 -25.196 -23.834 79 HG13 VAL 14 3HG1 VAL 14 -3.390 -23.457 -23.847 80 HG21 VAL 14 3HG2 VAL 14 -0.988 -24.609 -21.330 81 HG22 VAL 14 1HG2 VAL 14 -2.128 -25.638 -20.464 82 HG23 VAL 14 2HG2 VAL 14 -1.654 -26.042 -22.114 83 H ASN 15 H ASN 15 -2.888 -20.591 -22.328 84 HA ASN 15 HA ASN 15 -5.585 -20.665 -23.430 85 HB2 ASN 15 1HB ASN 15 -4.718 -18.958 -21.138 86 HB3 ASN 15 2HB ASN 15 -5.828 -18.269 -22.320 87 HD21 ASN 15 1HD2 ASN 15 -7.917 -18.953 -22.389 88 HD22 ASN 15 2HD2 ASN 15 -8.605 -20.037 -21.233 89 H VAL 16 H VAL 16 -6.054 -18.679 -24.728 90 HA VAL 16 HA VAL 16 -3.823 -18.115 -26.434 91 HB VAL 16 HB VAL 16 -5.330 -16.996 -27.856 92 HG11 VAL 16 1HG1 VAL 16 -5.738 -19.372 -27.800 93 HG12 VAL 16 2HG1 VAL 16 -6.830 -19.188 -26.426 94 HG13 VAL 16 3HG1 VAL 16 -7.271 -18.524 -28.000 95 HG21 VAL 16 3HG2 VAL 16 -6.924 -16.560 -25.367 96 HG22 VAL 16 1HG2 VAL 16 -6.420 -15.400 -26.596 97 HG23 VAL 16 2HG2 VAL 16 -7.728 -16.534 -26.937 98 H LYS 17 H LYS 17 -3.211 -15.902 -27.068 99 HA LYS 17 HA LYS 17 -2.387 -14.383 -24.848 100 HB2 LYS 17 1HB LYS 17 -1.691 -12.696 -26.541 101 HB3 LYS 17 2HB LYS 17 -1.119 -14.321 -26.895 102 HG2 LYS 17 1HG LYS 17 -1.838 -13.672 -28.960 103 HG3 LYS 17 2HG LYS 17 -3.304 -14.436 -28.341 104 HD2 LYS 17 1HD LYS 17 -4.125 -12.217 -27.636 105 HD3 LYS 17 2HD LYS 17 -2.683 -11.482 -28.340 106 HE2 LYS 17 1HE LYS 17 -3.334 -12.008 -30.518 107 HE3 LYS 17 2HE LYS 17 -4.482 -13.233 -29.978 108 HZ1 LYS 17 3HZ LYS 17 -4.936 -10.460 -29.157 109 HZ2 LYS 17 1HZ LYS 17 -6.056 -11.683 -29.496 110 HZ3 LYS 17 2HZ LYS 17 -5.275 -10.876 -30.761 111 H GLU 18 H GLU 18 -2.825 -11.938 -24.745 112 HA GLU 18 HA GLU 18 -5.739 -11.567 -24.758 113 HB2 GLU 18 1HB GLU 18 -5.266 -9.727 -23.124 114 HB3 GLU 18 2HB GLU 18 -4.825 -11.332 -22.560 115 HG2 GLU 18 1HG GLU 18 -2.792 -9.574 -23.863 116 HG3 GLU 18 2HG GLU 18 -3.211 -9.361 -22.164 117 H GLU 19 H GLU 19 -6.688 -9.847 -25.761 118 HA GLU 19 HA GLU 19 -4.962 -8.318 -27.574 119 HB2 GLU 19 1HB GLU 19 -6.950 -7.900 -28.891 120 HB3 GLU 19 2HB GLU 19 -6.810 -9.623 -28.573 121 HG2 GLU 19 1HG GLU 19 -8.527 -7.819 -26.902 122 HG3 GLU 19 2HG GLU 19 -9.115 -8.597 -28.371 123 H VAL 20 H VAL 20 -7.436 -7.953 -25.096 124 HA VAL 20 HA VAL 20 -7.500 -5.080 -25.308 125 HB VAL 20 HB VAL 20 -8.618 -6.852 -23.131 126 HG11 VAL 20 1HG1 VAL 20 -9.818 -4.229 -23.740 127 HG12 VAL 20 2HG1 VAL 20 -9.565 -5.032 -22.189 128 HG13 VAL 20 3HG1 VAL 20 -8.229 -4.191 -22.975 129 HG21 VAL 20 3HG2 VAL 20 -10.792 -6.385 -24.359 130 HG22 VAL 20 1HG2 VAL 20 -9.793 -5.854 -25.712 131 HG23 VAL 20 2HG2 VAL 20 -9.679 -7.515 -25.130 132 H THR 21 H THR 21 -5.820 -3.914 -24.649 133 HA THR 21 HA THR 21 -4.442 -4.717 -22.169 134 HB THR 21 HB THR 21 -3.272 -3.082 -24.426 135 HG1 THR 21 1HG THR 21 -3.743 -5.591 -24.526 136 HG21 THR 21 3HG2 THR 21 -1.166 -4.048 -23.073 137 HG22 THR 21 1HG2 THR 21 -2.328 -3.932 -21.751 138 HG23 THR 21 2HG2 THR 21 -1.920 -2.499 -22.695 139 H CYS 22 H CYS 22 -3.788 -3.071 -20.723 140 HA CYS 22 HA CYS 22 -5.608 -0.826 -20.655 141 HB2 CYS 22 1HB CYS 22 -5.107 -2.105 -18.608 142 HB3 CYS 22 2HB CYS 22 -3.418 -1.624 -18.726 143 HA PRO 23 HA PRO 23 -2.746 1.919 -22.656 144 HB2 PRO 23 1HB PRO 23 -4.203 4.181 -22.299 145 HB3 PRO 23 2HB PRO 23 -4.601 2.965 -23.519 146 HG2 PRO 23 1HG PRO 23 -5.789 3.383 -20.803 147 HG3 PRO 23 2HG PRO 23 -6.603 3.023 -22.337 148 HD2 PRO 23 1HD PRO 23 -6.118 1.128 -20.465 149 HD3 PRO 23 2HD PRO 23 -6.129 0.771 -22.204 150 H ILE 24 H ILE 24 -3.378 1.650 -19.409 151 HA ILE 24 HA ILE 24 -1.750 3.987 -18.687 152 HB ILE 24 HB ILE 24 -3.662 2.285 -17.116 153 HG12 ILE 24 1HG1 ILE 24 -3.503 5.263 -17.002 154 HG13 ILE 24 2HG1 ILE 24 -4.136 4.523 -18.468 155 HG21 ILE 24 1HG2 ILE 24 -2.938 3.529 -15.091 156 HG22 ILE 24 2HG2 ILE 24 -1.720 2.417 -15.713 157 HG23 ILE 24 3HG2 ILE 24 -1.567 4.148 -16.011 158 HD11 ILE 24 3HD1 ILE 24 -6.070 4.775 -17.323 159 HD12 ILE 24 1HD1 ILE 24 -5.598 3.192 -16.706 160 HD13 ILE 24 2HD1 ILE 24 -5.288 4.640 -15.748 161 H CYS 25 H CYS 25 -2.152 0.739 -17.277 162 HA CYS 25 HA CYS 25 0.615 0.662 -16.500 163 HB2 CYS 25 1HB CYS 25 0.025 -1.641 -15.689 164 HB3 CYS 25 2HB CYS 25 -0.969 -0.354 -15.016 165 H LEU 26 H LEU 26 -1.178 -0.263 -19.253 166 HA LEU 26 HA LEU 26 -0.687 -1.441 -21.140 167 HB2 LEU 26 1HB LEU 26 2.197 -0.939 -20.473 168 HB3 LEU 26 2HB LEU 26 1.454 -1.096 -22.064 169 HG LEU 26 HG LEU 26 0.966 1.211 -20.182 170 HD11 LEU 26 1HD1 LEU 26 2.907 0.888 -22.457 171 HD12 LEU 26 2HD1 LEU 26 3.248 1.345 -20.788 172 HD13 LEU 26 3HD1 LEU 26 2.387 2.460 -21.848 173 HD21 LEU 26 3HD2 LEU 26 -0.781 1.487 -21.557 174 HD22 LEU 26 1HD2 LEU 26 -0.137 0.368 -22.759 175 HD23 LEU 26 2HD2 LEU 26 0.422 2.041 -22.723 176 H GLU 27 H GLU 27 -1.050 -3.036 -18.868 177 HA GLU 27 HA GLU 27 0.943 -5.170 -19.236 178 HB2 GLU 27 1HB GLU 27 -0.874 -4.501 -16.928 179 HB3 GLU 27 2HB GLU 27 -0.068 -6.057 -17.062 180 HG2 GLU 27 1HG GLU 27 1.591 -3.610 -17.293 181 HG3 GLU 27 2HG GLU 27 0.972 -4.051 -15.702 182 H LEU 28 H LEU 28 -2.474 -5.059 -18.230 183 HA LEU 28 HA LEU 28 -3.404 -6.516 -20.488 184 HB2 LEU 28 1HB LEU 28 -2.432 -8.436 -19.586 185 HB3 LEU 28 2HB LEU 28 -2.850 -7.982 -17.936 186 HG LEU 28 HG LEU 28 -5.201 -8.494 -18.393 187 HD11 LEU 28 1HD1 LEU 28 -6.037 -8.843 -20.430 188 HD12 LEU 28 2HD1 LEU 28 -4.723 -9.930 -20.878 189 HD13 LEU 28 3HD1 LEU 28 -4.517 -8.186 -21.037 190 HD21 LEU 28 3HD2 LEU 28 -3.454 -10.221 -17.646 191 HD22 LEU 28 1HD2 LEU 28 -3.580 -10.852 -19.289 192 HD23 LEU 28 2HD2 LEU 28 -5.004 -10.813 -18.248 193 H LEU 29 H LEU 29 -5.668 -6.729 -20.525 194 HA LEU 29 HA LEU 29 -7.087 -5.456 -18.282 195 HB2 LEU 29 1HB LEU 29 -7.178 -4.851 -21.194 196 HB3 LEU 29 2HB LEU 29 -8.666 -4.703 -20.262 197 HG LEU 29 HG LEU 29 -6.124 -3.125 -19.989 198 HD11 LEU 29 1HD1 LEU 29 -9.007 -2.439 -20.514 199 HD12 LEU 29 2HD1 LEU 29 -7.632 -2.233 -21.598 200 HD13 LEU 29 3HD1 LEU 29 -7.765 -1.242 -20.146 201 HD21 LEU 29 3HD2 LEU 29 -7.602 -2.041 -18.078 202 HD22 LEU 29 1HD2 LEU 29 -6.499 -3.379 -17.755 203 HD23 LEU 29 2HD2 LEU 29 -8.223 -3.689 -17.964 204 H THR 30 H THR 30 -7.556 -7.611 -17.568 205 HA THR 30 HA THR 30 -9.125 -9.349 -19.256 206 HB THR 30 HB THR 30 -7.576 -10.336 -17.644 207 HG1 THR 30 1HG THR 30 -9.815 -11.242 -18.168 208 HG21 THR 30 3HG2 THR 30 -9.338 -9.558 -15.366 209 HG22 THR 30 1HG2 THR 30 -8.134 -8.405 -15.942 210 HG23 THR 30 2HG2 THR 30 -7.629 -9.995 -15.369 211 H GLN 31 H GLN 31 -9.686 -7.295 -16.426 212 HA GLN 31 HA GLN 31 -12.568 -7.449 -16.995 213 HB2 GLN 31 1HB GLN 31 -11.163 -7.675 -14.347 214 HB3 GLN 31 2HB GLN 31 -12.830 -7.123 -14.446 215 HG2 GLN 31 1HG GLN 31 -11.706 -9.798 -15.198 216 HG3 GLN 31 2HG GLN 31 -12.941 -9.421 -13.997 217 HE21 GLN 31 1HE2 GLN 31 -13.034 -11.276 -16.239 218 HE22 GLN 31 2HE2 GLN 31 -14.371 -10.784 -17.216 219 HA PRO 32 HA PRO 32 -10.854 -3.062 -16.755 220 HB2 PRO 32 1HB PRO 32 -11.454 -2.358 -19.308 221 HB3 PRO 32 2HB PRO 32 -9.914 -3.096 -18.852 222 HG2 PRO 32 1HG PRO 32 -12.339 -4.367 -20.062 223 HG3 PRO 32 2HG PRO 32 -10.629 -4.612 -20.463 224 HD2 PRO 32 1HD PRO 32 -12.025 -6.342 -18.916 225 HD3 PRO 32 2HD PRO 32 -10.289 -6.047 -18.691 226 H LEU 33 H LEU 33 -12.131 -1.037 -17.365 227 HA LEU 33 HA LEU 33 -14.991 -1.565 -16.910 228 HB2 LEU 33 1HB LEU 33 -13.424 0.933 -16.285 229 HB3 LEU 33 2HB LEU 33 -15.110 0.621 -15.875 230 HG LEU 33 HG LEU 33 -12.698 -0.785 -14.729 231 HD11 LEU 33 1HD1 LEU 33 -14.543 1.347 -13.717 232 HD12 LEU 33 2HD1 LEU 33 -12.780 1.305 -13.712 233 HD13 LEU 33 3HD1 LEU 33 -13.689 0.273 -12.608 234 HD21 LEU 33 3HD2 LEU 33 -14.851 -1.414 -13.161 235 HD22 LEU 33 1HD2 LEU 33 -14.132 -2.465 -14.382 236 HD23 LEU 33 2HD2 LEU 33 -15.535 -1.475 -14.786 237 H SER 34 H SER 34 -16.450 0.211 -17.749 238 HA SER 34 HA SER 34 -15.533 1.059 -20.419 239 HB2 SER 34 1HB SER 34 -17.267 -0.724 -20.471 240 HB3 SER 34 2HB SER 34 -18.358 0.347 -19.592 241 HG SER 34 HG SER 34 -18.062 1.841 -21.385 242 H LEU 35 H LEU 35 -15.966 3.121 -21.090 243 HA LEU 35 HA LEU 35 -17.236 4.902 -19.115 244 HB2 LEU 35 1HB LEU 35 -15.054 5.690 -21.030 245 HB3 LEU 35 2HB LEU 35 -15.701 6.630 -19.687 246 HG LEU 35 HG LEU 35 -14.316 4.028 -19.169 247 HD11 LEU 35 1HD1 LEU 35 -12.280 5.602 -18.761 248 HD12 LEU 35 2HD1 LEU 35 -13.077 6.627 -19.954 249 HD13 LEU 35 3HD1 LEU 35 -12.606 4.981 -20.379 250 HD21 LEU 35 3HD2 LEU 35 -15.006 4.675 -17.136 251 HD22 LEU 35 1HD2 LEU 35 -15.270 6.343 -17.647 252 HD23 LEU 35 2HD2 LEU 35 -13.649 5.799 -17.212 253 H ASP 36 H ASP 36 -17.531 7.180 -20.435 254 HA ASP 36 HA ASP 36 -19.556 6.533 -22.396 255 HB2 ASP 36 1HB ASP 36 -18.661 9.236 -21.372 256 HB3 ASP 36 2HB ASP 36 -20.118 8.907 -22.305 257 H CYS 37 H CYS 37 -16.443 6.493 -22.763 258 HA CYS 37 HA CYS 37 -16.439 7.982 -25.307 259 HB2 CYS 37 1HB CYS 37 -14.114 8.379 -25.066 260 HB3 CYS 37 2HB CYS 37 -14.823 8.741 -23.495 261 H GLY 38 H GLY 38 -15.800 4.953 -23.705 262 HA2 GLY 38 1HA GLY 38 -16.198 2.954 -25.090 263 HA3 GLY 38 2HA GLY 38 -15.260 3.745 -26.348 264 H HIS 39 H HIS 39 -13.132 4.710 -24.809 265 HA HIS 39 HA HIS 39 -11.414 2.514 -24.779 266 HB2 HIS 39 1HB HIS 39 -11.147 5.169 -23.354 267 HB3 HIS 39 2HB HIS 39 -9.839 4.009 -23.564 268 HD2 HIS 39 2HD HIS 39 -9.428 3.481 -26.508 269 HE1 HIS 39 1HE HIS 39 -10.421 7.512 -27.383 270 HE2 HIS 39 2HE HIS 39 -9.440 5.370 -28.275 271 H SER 40 H SER 40 -10.832 1.047 -23.281 272 HA SER 40 HA SER 40 -12.316 1.061 -20.757 273 HB2 SER 40 1HB SER 40 -10.634 -1.265 -21.558 274 HB3 SER 40 2HB SER 40 -12.210 -1.234 -20.767 275 HG SER 40 HG SER 40 -12.629 -1.905 -22.799 276 H PHE 41 H PHE 41 -11.163 0.236 -18.812 277 HA PHE 41 HA PHE 41 -8.302 0.528 -18.715 278 HB2 PHE 41 1HB PHE 41 -10.017 2.519 -17.215 279 HB3 PHE 41 2HB PHE 41 -8.263 2.389 -17.131 280 HD1 PHE 41 2HD PHE 41 -11.068 3.126 -19.439 281 HD2 PHE 41 1HD PHE 41 -6.906 3.533 -18.644 282 HE1 PHE 41 2HE PHE 41 -10.867 4.701 -21.318 283 HE2 PHE 41 1HE PHE 41 -6.698 5.109 -20.522 284 HZ PHE 41 HZ PHE 41 -8.680 5.694 -21.863 285 H CYS 42 H CYS 42 -7.634 0.539 -16.243 286 HA CYS 42 HA CYS 42 -8.918 -1.798 -15.111 287 HB2 CYS 42 1HB CYS 42 -6.498 -0.214 -14.227 288 HB3 CYS 42 2HB CYS 42 -7.061 -1.692 -13.454 289 H GLN 43 H GLN 43 -10.105 -1.887 -13.269 290 HA GLN 43 HA GLN 43 -11.584 0.286 -12.423 291 HB2 GLN 43 1HB GLN 43 -12.283 -1.980 -11.948 292 HB3 GLN 43 2HB GLN 43 -10.881 -2.237 -10.918 293 HG2 GLN 43 1HG GLN 43 -11.749 -1.017 -9.190 294 HG3 GLN 43 2HG GLN 43 -12.757 -0.031 -10.248 295 HE21 GLN 43 1HE2 GLN 43 -12.537 -3.534 -10.251 296 HE22 GLN 43 2HE2 GLN 43 -14.163 -3.824 -9.745 297 H ALA 44 H ALA 44 -8.342 -0.440 -11.729 298 HA ALA 44 HA ALA 44 -8.327 1.287 -9.354 299 HB1 ALA 44 3HB ALA 44 -7.162 -1.104 -9.636 300 HB2 ALA 44 1HB ALA 44 -5.847 -0.077 -10.207 301 HB3 ALA 44 2HB ALA 44 -6.515 0.162 -8.592 302 H CYS 45 H CYS 45 -6.534 0.782 -12.392 303 HA CYS 45 HA CYS 45 -4.874 2.980 -12.309 304 HB2 CYS 45 1HB CYS 45 -6.229 1.702 -14.689 305 HB3 CYS 45 2HB CYS 45 -4.939 2.893 -14.819 306 H LEU 46 H LEU 46 -8.271 2.817 -13.184 307 HA LEU 46 HA LEU 46 -8.484 5.432 -14.247 308 HB2 LEU 46 1HB LEU 46 -10.341 3.317 -13.352 309 HB3 LEU 46 2HB LEU 46 -10.977 4.961 -13.360 310 HG LEU 46 HG LEU 46 -9.641 3.871 -15.803 311 HD11 LEU 46 1HD1 LEU 46 -11.213 2.143 -15.254 312 HD12 LEU 46 2HD1 LEU 46 -11.870 3.106 -16.577 313 HD13 LEU 46 3HD1 LEU 46 -12.476 3.333 -14.937 314 HD21 LEU 46 3HD2 LEU 46 -12.008 5.704 -15.572 315 HD22 LEU 46 1HD2 LEU 46 -10.906 5.491 -16.932 316 HD23 LEU 46 2HD2 LEU 46 -10.350 6.297 -15.465 317 H THR 47 H THR 47 -9.133 4.099 -11.021 318 HA THR 47 HA THR 47 -10.067 6.438 -9.813 319 HB THR 47 HB THR 47 -8.531 4.153 -8.562 320 HG1 THR 47 1HG THR 47 -11.294 4.539 -8.270 321 HG21 THR 47 3HG2 THR 47 -9.980 5.046 -6.537 322 HG22 THR 47 1HG2 THR 47 -9.842 6.569 -7.415 323 HG23 THR 47 2HG2 THR 47 -8.389 5.718 -6.892 324 H ALA 48 H ALA 48 -6.773 5.215 -10.213 325 HA ALA 48 HA ALA 48 -5.535 7.265 -8.673 326 HB1 ALA 48 3HB ALA 48 -4.232 5.362 -8.864 327 HB2 ALA 48 1HB ALA 48 -4.546 5.195 -10.592 328 HB3 ALA 48 2HB ALA 48 -3.465 6.462 -10.009 329 H ASN 49 H ASN 49 -5.967 6.763 -12.166 330 HA ASN 49 HA ASN 49 -4.584 8.984 -13.090 331 HB2 ASN 49 1HB ASN 49 -5.324 7.346 -14.663 332 HB3 ASN 49 2HB ASN 49 -7.009 7.568 -14.201 333 HD21 ASN 49 1HD2 ASN 49 -8.042 8.430 -15.846 334 HD22 ASN 49 2HD2 ASN 49 -7.500 9.766 -16.799 335 H HIS 50 H HIS 50 -7.994 8.714 -12.140 336 HA HIS 50 HA HIS 50 -8.878 11.244 -12.793 337 HB2 HIS 50 1HB HIS 50 -9.621 9.408 -10.521 338 HB3 HIS 50 2HB HIS 50 -10.437 10.948 -10.775 339 HD2 HIS 50 2HD HIS 50 -12.735 9.235 -11.273 340 HE1 HIS 50 1HE HIS 50 -11.418 8.246 -15.182 341 HE2 HIS 50 2HE HIS 50 -13.372 8.289 -13.594 342 H LYS 51 H LYS 51 -7.263 10.197 -9.811 343 HA LYS 51 HA LYS 51 -7.360 12.668 -8.479 344 HB2 LYS 51 1HB LYS 51 -5.333 10.436 -8.239 345 HB3 LYS 51 2HB LYS 51 -5.509 11.764 -7.100 346 HG2 LYS 51 1HG LYS 51 -7.611 11.000 -6.372 347 HG3 LYS 51 2HG LYS 51 -7.766 9.889 -7.735 348 HD2 LYS 51 1HD LYS 51 -5.636 8.783 -6.774 349 HD3 LYS 51 2HD LYS 51 -6.036 9.661 -5.296 350 HE2 LYS 51 1HE LYS 51 -8.334 8.626 -5.452 351 HE3 LYS 51 2HE LYS 51 -7.691 7.593 -6.728 352 HZ1 LYS 51 3HZ LYS 51 -7.548 6.407 -4.695 353 HZ2 LYS 51 1HZ LYS 51 -6.815 7.706 -3.897 354 HZ3 LYS 51 2HZ LYS 51 -5.972 6.868 -5.100 355 H LYS 52 H LYS 52 -4.971 11.284 -10.685 356 HA LYS 52 HA LYS 52 -2.902 13.070 -10.457 357 HB2 LYS 52 1HB LYS 52 -3.391 11.009 -12.099 358 HB3 LYS 52 2HB LYS 52 -3.694 12.326 -13.224 359 HG2 LYS 52 1HG LYS 52 -1.182 12.245 -11.600 360 HG3 LYS 52 2HG LYS 52 -1.332 11.321 -13.097 361 HD2 LYS 52 1HD LYS 52 -0.514 13.238 -13.991 362 HD3 LYS 52 2HD LYS 52 -2.219 13.692 -13.966 363 HE2 LYS 52 1HE LYS 52 -1.358 15.523 -12.929 364 HE3 LYS 52 2HE LYS 52 -1.565 14.489 -11.516 365 HZ1 LYS 52 3HZ LYS 52 0.690 14.023 -11.428 366 HZ2 LYS 52 1HZ LYS 52 0.666 15.663 -11.844 367 HZ3 LYS 52 2HZ LYS 52 0.968 14.494 -13.029 368 H SER 53 H SER 53 -5.630 13.378 -12.739 369 HA SER 53 HA SER 53 -4.927 16.122 -13.311 370 HB2 SER 53 1HB SER 53 -7.006 16.035 -14.743 371 HB3 SER 53 2HB SER 53 -5.775 14.840 -15.151 372 HG SER 53 HG SER 53 -7.096 13.296 -14.595 373 H MET 54 H MET 54 -5.509 15.677 -10.587 374 HA MET 54 HA MET 54 -8.059 17.120 -10.274 375 HB2 MET 54 1HB MET 54 -7.785 14.797 -9.217 376 HB3 MET 54 2HB MET 54 -6.682 15.573 -8.089 377 HG2 MET 54 1HG MET 54 -8.338 16.697 -7.018 378 HG3 MET 54 2HG MET 54 -9.349 16.804 -8.458 379 HE1 MET 54 3HE MET 54 -9.887 13.568 -9.344 380 HE2 MET 54 1HE MET 54 -11.453 13.793 -8.564 381 HE3 MET 54 2HE MET 54 -10.692 15.137 -9.415 382 H LEU 55 H LEU 55 -4.655 17.089 -9.593 383 HA LEU 55 HA LEU 55 -4.833 19.381 -7.810 384 HB2 LEU 55 1HB LEU 55 -2.333 18.086 -8.862 385 HB3 LEU 55 2HB LEU 55 -2.509 19.100 -7.432 386 HG LEU 55 HG LEU 55 -4.081 17.134 -6.645 387 HD11 LEU 55 1HD1 LEU 55 -4.126 15.388 -8.013 388 HD12 LEU 55 2HD1 LEU 55 -2.420 15.130 -7.653 389 HD13 LEU 55 3HD1 LEU 55 -2.889 16.098 -9.050 390 HD21 LEU 55 3HD2 LEU 55 -1.829 18.000 -5.744 391 HD22 LEU 55 1HD2 LEU 55 -1.130 16.620 -6.591 392 HD23 LEU 55 2HD2 LEU 55 -2.329 16.362 -5.324 393 H ASP 56 H ASP 56 -4.107 18.638 -11.119 394 HA ASP 56 HA ASP 56 -2.893 21.212 -11.652 395 HB2 ASP 56 1HB ASP 56 -2.172 19.163 -12.857 396 HB3 ASP 56 2HB ASP 56 -3.770 19.062 -13.592 397 H LYS 57 H LYS 57 -5.828 19.520 -12.769 398 HA LYS 57 HA LYS 57 -7.013 22.152 -13.354 399 HB2 LYS 57 1HB LYS 57 -7.718 19.434 -14.478 400 HB3 LYS 57 2HB LYS 57 -8.536 20.939 -14.878 401 HG2 LYS 57 1HG LYS 57 -7.118 20.832 -16.639 402 HG3 LYS 57 2HG LYS 57 -6.063 21.672 -15.501 403 HD2 LYS 57 1HD LYS 57 -4.740 19.837 -15.162 404 HD3 LYS 57 2HD LYS 57 -6.048 18.698 -15.489 405 HE2 LYS 57 1HE LYS 57 -4.657 18.462 -17.338 406 HE3 LYS 57 2HE LYS 57 -5.907 19.567 -17.910 407 HZ1 LYS 57 3HZ LYS 57 -3.101 19.995 -17.650 408 HZ2 LYS 57 1HZ LYS 57 -3.980 21.185 -16.830 409 HZ3 LYS 57 2HZ LYS 57 -4.255 20.915 -18.476 410 H GLY 58 H GLY 58 -7.810 18.915 -12.102 411 HA2 GLY 58 1HA GLY 58 -8.928 18.946 -9.873 412 HA3 GLY 58 2HA GLY 58 -9.983 20.180 -10.548 413 H GLU 59 H GLU 59 -10.506 19.088 -13.049 414 HA GLU 59 HA GLU 59 -12.286 16.909 -12.277 415 HB2 GLU 59 1HB GLU 59 -12.149 18.503 -14.842 416 HB3 GLU 59 2HB GLU 59 -13.383 17.318 -14.439 417 HG2 GLU 59 1HG GLU 59 -14.413 19.329 -13.966 418 HG3 GLU 59 2HG GLU 59 -13.835 18.799 -12.387 419 H SER 60 H SER 60 -12.232 14.879 -13.135 420 HA SER 60 HA SER 60 -9.747 14.104 -14.425 421 HB2 SER 60 1HB SER 60 -12.046 12.346 -13.541 422 HB3 SER 60 2HB SER 60 -10.411 11.825 -13.948 423 HG SER 60 HG SER 60 -11.001 13.630 -11.843 424 H SER 61 H SER 61 -9.922 12.378 -16.176 425 HA SER 61 HA SER 61 -12.177 12.242 -17.859 426 HB2 SER 61 1HB SER 61 -11.633 14.603 -18.311 427 HB3 SER 61 2HB SER 61 -10.005 14.132 -18.800 428 HG SER 61 HG SER 61 -11.548 14.410 -20.550 429 H CYS 62 H CYS 62 -11.662 11.192 -19.964 430 HA CYS 62 HA CYS 62 -10.078 8.942 -19.629 431 HB2 CYS 62 1HB CYS 62 -11.895 9.223 -21.327 432 HB3 CYS 62 2HB CYS 62 -10.795 10.215 -22.277 433 HA PRO 63 HA PRO 63 -6.028 10.757 -20.092 434 HB2 PRO 63 1HB PRO 63 -4.660 8.440 -19.733 435 HB3 PRO 63 2HB PRO 63 -5.371 9.352 -18.397 436 HG2 PRO 63 1HG PRO 63 -6.426 6.935 -19.814 437 HG3 PRO 63 2HG PRO 63 -6.404 7.293 -18.078 438 HD2 PRO 63 1HD PRO 63 -8.617 7.617 -19.604 439 HD3 PRO 63 2HD PRO 63 -8.261 8.652 -18.206 440 H VAL 64 H VAL 64 -7.733 8.915 -22.217 441 HA VAL 64 HA VAL 64 -5.465 8.568 -24.060 442 HB VAL 64 HB VAL 64 -8.203 7.293 -24.107 443 HG11 VAL 64 1HG1 VAL 64 -5.912 6.664 -25.948 444 HG12 VAL 64 2HG1 VAL 64 -7.598 6.157 -26.078 445 HG13 VAL 64 3HG1 VAL 64 -7.158 7.842 -26.359 446 HG21 VAL 64 3HG2 VAL 64 -7.009 5.220 -23.665 447 HG22 VAL 64 1HG2 VAL 64 -5.476 6.091 -23.640 448 HG23 VAL 64 2HG2 VAL 64 -6.686 6.400 -22.395 449 H CYS 65 H CYS 65 -8.941 9.372 -24.218 450 HA CYS 65 HA CYS 65 -8.349 11.144 -26.486 451 HB2 CYS 65 1HB CYS 65 -10.762 11.011 -26.982 452 HB3 CYS 65 2HB CYS 65 -10.008 9.420 -26.954 453 H ARG 66 H ARG 66 -9.390 11.092 -23.209 454 HA ARG 66 HA ARG 66 -9.991 12.716 -21.733 455 HB2 ARG 66 1HB ARG 66 -8.722 14.557 -23.770 456 HB3 ARG 66 2HB ARG 66 -9.060 14.951 -22.089 457 HG2 ARG 66 1HG ARG 66 -7.358 12.585 -22.647 458 HG3 ARG 66 2HG ARG 66 -6.666 14.190 -22.892 459 HD2 ARG 66 1HD ARG 66 -8.055 13.358 -20.354 460 HD3 ARG 66 2HD ARG 66 -6.320 13.178 -20.607 461 HE ARG 66 HE ARG 66 -7.303 15.842 -21.073 462 HH11 ARG 66 1HH1 ARG 66 -6.091 13.598 -18.704 463 HH12 ARG 66 2HH1 ARG 66 -5.545 14.835 -17.621 464 HH21 ARG 66 1HH2 ARG 66 -6.588 17.480 -19.655 465 HH22 ARG 66 2HH2 ARG 66 -5.828 17.043 -18.162 466 H ILE 67 H ILE 67 -12.044 11.897 -23.341 467 HA ILE 67 HA ILE 67 -13.390 14.083 -24.598 468 HB ILE 67 HB ILE 67 -13.727 11.629 -25.136 469 HG12 ILE 67 1HG1 ILE 67 -16.330 13.011 -24.522 470 HG13 ILE 67 2HG1 ILE 67 -15.243 13.623 -25.763 471 HG21 ILE 67 1HG2 ILE 67 -15.229 11.787 -22.540 472 HG22 ILE 67 2HG2 ILE 67 -15.584 10.568 -23.762 473 HG23 ILE 67 3HG2 ILE 67 -13.986 10.633 -23.021 474 HD11 ILE 67 3HD1 ILE 67 -15.666 11.898 -27.177 475 HD12 ILE 67 1HD1 ILE 67 -15.989 10.758 -25.871 476 HD13 ILE 67 2HD1 ILE 67 -17.205 11.955 -26.318 477 H SER 68 H SER 68 -15.645 14.706 -23.916 478 HA SER 68 HA SER 68 -15.558 15.524 -21.131 479 HB2 SER 68 1HB SER 68 -16.169 17.292 -22.566 480 HB3 SER 68 2HB SER 68 -17.283 16.279 -23.483 481 HG SER 68 HG SER 68 -18.755 17.000 -22.183 482 H TYR 69 H TYR 69 -16.573 14.488 -19.556 483 HA TYR 69 HA TYR 69 -19.184 13.448 -19.745 484 HB2 TYR 69 1HB TYR 69 -18.834 11.097 -19.738 485 HB3 TYR 69 2HB TYR 69 -17.884 11.726 -21.079 486 HD1 TYR 69 2HD TYR 69 -15.399 12.531 -20.132 487 HD2 TYR 69 1HD TYR 69 -17.811 9.365 -18.627 488 HE1 TYR 69 2HE TYR 69 -13.390 11.439 -19.226 489 HE2 TYR 69 1HE TYR 69 -15.809 8.265 -17.716 490 HH TYR 69 HH TYR 69 -13.400 9.171 -16.948 491 H GLN 70 H GLN 70 -19.390 11.681 -17.785 492 HA GLN 70 HA GLN 70 -18.204 13.062 -15.475 493 HB2 GLN 70 1HB GLN 70 -20.824 11.693 -15.921 494 HB3 GLN 70 2HB GLN 70 -20.160 11.756 -14.294 495 HG2 GLN 70 1HG GLN 70 -20.502 14.214 -15.979 496 HG3 GLN 70 2HG GLN 70 -21.789 13.581 -14.954 497 HE21 GLN 70 1HE2 GLN 70 -21.586 13.696 -12.728 498 HE22 GLN 70 2HE2 GLN 70 -20.406 14.694 -11.956 499 HA PRO 71 HA PRO 71 -15.868 9.249 -15.077 500 HB2 PRO 71 1HB PRO 71 -14.261 10.168 -13.092 501 HB3 PRO 71 2HB PRO 71 -14.009 10.569 -14.795 502 HG2 PRO 71 1HG PRO 71 -15.321 12.184 -12.643 503 HG3 PRO 71 2HG PRO 71 -14.182 12.707 -13.896 504 HD2 PRO 71 1HD PRO 71 -16.852 13.105 -14.097 505 HD3 PRO 71 2HD PRO 71 -15.820 12.823 -15.514 506 H GLU 72 H GLU 72 -18.221 10.543 -13.176 507 HA GLU 72 HA GLU 72 -17.836 8.544 -11.047 508 HB2 GLU 72 1HB GLU 72 -17.901 10.940 -10.325 509 HB3 GLU 72 2HB GLU 72 -19.547 11.031 -10.935 510 HG2 GLU 72 1HG GLU 72 -19.672 10.705 -8.593 511 HG3 GLU 72 2HG GLU 72 -20.152 9.193 -9.361 512 H ASN 73 H ASN 73 -19.580 7.253 -10.419 513 HA ASN 73 HA ASN 73 -21.478 6.025 -10.678 514 HB2 ASN 73 1HB ASN 73 -22.474 8.379 -12.297 515 HB3 ASN 73 2HB ASN 73 -23.464 7.091 -11.618 516 HD21 ASN 73 1HD2 ASN 73 -21.914 10.073 -11.057 517 HD22 ASN 73 2HD2 ASN 73 -22.369 10.263 -9.402 518 H ILE 74 H ILE 74 -19.362 5.481 -12.371 519 HA ILE 74 HA ILE 74 -20.602 4.984 -14.987 520 HB ILE 74 HB ILE 74 -17.702 4.802 -14.162 521 HG12 ILE 74 1HG1 ILE 74 -18.948 6.753 -16.093 522 HG13 ILE 74 2HG1 ILE 74 -18.819 7.101 -14.372 523 HG21 ILE 74 1HG2 ILE 74 -19.088 3.641 -16.366 524 HG22 ILE 74 2HG2 ILE 74 -18.006 4.895 -16.968 525 HG23 ILE 74 3HG2 ILE 74 -17.368 3.579 -15.983 526 HD11 ILE 74 3HD1 ILE 74 -16.595 7.452 -14.475 527 HD12 ILE 74 1HD1 ILE 74 -16.347 6.235 -15.727 528 HD13 ILE 74 2HD1 ILE 74 -16.977 7.826 -16.156 529 H ARG 75 H ARG 75 -20.806 2.940 -15.821 530 HA ARG 75 HA ARG 75 -20.082 0.709 -14.038 531 HB2 ARG 75 1HB ARG 75 -22.134 -0.388 -14.480 532 HB3 ARG 75 2HB ARG 75 -22.552 1.277 -14.097 533 HG2 ARG 75 1HG ARG 75 -22.520 1.646 -16.643 534 HG3 ARG 75 2HG ARG 75 -22.602 -0.114 -16.744 535 HD2 ARG 75 1HD ARG 75 -24.694 -0.193 -15.707 536 HD3 ARG 75 2HD ARG 75 -24.529 1.434 -15.048 537 HE ARG 75 HE ARG 75 -24.538 1.918 -17.676 538 HH11 ARG 75 1HH1 ARG 75 -26.600 -0.069 -15.695 539 HH12 ARG 75 2HH1 ARG 75 -27.994 0.148 -16.701 540 HH21 ARG 75 1HH2 ARG 75 -26.367 2.211 -19.008 541 HH22 ARG 75 2HH2 ARG 75 -27.860 1.444 -18.585 542 HA PRO 76 HA PRO 76 -17.972 -0.975 -17.516 543 HB2 PRO 76 1HB PRO 76 -17.913 -3.581 -16.757 544 HB3 PRO 76 2HB PRO 76 -16.899 -2.341 -16.012 545 HG2 PRO 76 1HG PRO 76 -19.475 -3.516 -15.041 546 HG3 PRO 76 2HG PRO 76 -17.999 -3.150 -14.130 547 HD2 PRO 76 1HD PRO 76 -20.169 -1.530 -14.100 548 HD3 PRO 76 2HD PRO 76 -18.512 -0.910 -13.956 549 H ASN 77 H ASN 77 -18.204 -3.223 -18.831 550 HA ASN 77 HA ASN 77 -20.510 -2.963 -20.389 551 HB2 ASN 77 1HB ASN 77 -18.538 -5.236 -20.126 552 HB3 ASN 77 2HB ASN 77 -19.827 -5.214 -21.326 553 HD21 ASN 77 1HD2 ASN 77 -16.911 -3.615 -20.232 554 HD22 ASN 77 2HD2 ASN 77 -16.545 -2.841 -21.732 555 H ARG 78 H ARG 78 -19.700 -5.361 -17.895 556 HA ARG 78 HA ARG 78 -22.558 -5.802 -17.467 557 HB2 ARG 78 1HB ARG 78 -21.811 -7.565 -19.026 558 HB3 ARG 78 2HB ARG 78 -20.579 -8.052 -17.870 559 HG2 ARG 78 1HG ARG 78 -22.086 -9.040 -16.465 560 HG3 ARG 78 2HG ARG 78 -23.414 -7.997 -16.979 561 HD2 ARG 78 1HD ARG 78 -24.011 -9.985 -17.963 562 HD3 ARG 78 2HD ARG 78 -23.097 -9.226 -19.265 563 HE ARG 78 HE ARG 78 -21.484 -10.880 -17.567 564 HH11 ARG 78 1HH1 ARG 78 -23.629 -10.851 -20.309 565 HH12 ARG 78 2HH1 ARG 78 -22.980 -12.303 -20.996 566 HH21 ARG 78 1HH2 ARG 78 -20.622 -12.792 -18.462 567 HH22 ARG 78 2HH2 ARG 78 -21.270 -13.407 -19.945 568 H HIS 79 H HIS 79 -23.046 -5.802 -15.370 569 HA HIS 79 HA HIS 79 -20.919 -6.425 -13.432 570 HB2 HIS 79 1HB HIS 79 -21.349 -3.971 -13.593 571 HB3 HIS 79 2HB HIS 79 -23.014 -4.269 -13.102 572 HD2 HIS 79 2HD HIS 79 -19.589 -3.670 -11.535 573 HE1 HIS 79 1HE HIS 79 -22.154 -4.980 -8.420 574 HE2 HIS 79 2HE HIS 79 -19.953 -3.894 -8.984 575 H VAL 80 H VAL 80 -21.629 -8.472 -12.957 576 HA VAL 80 HA VAL 80 -24.288 -8.646 -11.695 577 HB VAL 80 HB VAL 80 -24.397 -11.007 -12.410 578 HG11 VAL 80 1HG1 VAL 80 -25.655 -9.664 -13.801 579 HG12 VAL 80 2HG1 VAL 80 -24.245 -8.796 -14.414 580 HG13 VAL 80 3HG1 VAL 80 -24.568 -10.446 -14.949 581 HG21 VAL 80 3HG2 VAL 80 -21.959 -11.353 -12.640 582 HG22 VAL 80 1HG2 VAL 80 -22.863 -11.882 -14.059 583 HG23 VAL 80 2HG2 VAL 80 -21.980 -10.356 -14.094 584 H ALA 81 H ALA 81 -24.367 -9.487 -9.694 585 HA ALA 81 HA ALA 81 -21.853 -10.165 -8.405 586 HB1 ALA 81 3HB ALA 81 -22.813 -9.523 -6.471 587 HB2 ALA 81 1HB ALA 81 -23.974 -8.738 -7.543 588 HB3 ALA 81 2HB ALA 81 -24.343 -10.315 -6.843 589 H ASN 82 H ASN 82 -22.670 -12.061 -10.303 590 HA ASN 82 HA ASN 82 -23.555 -14.319 -8.635 591 HB2 ASN 82 1HB ASN 82 -24.879 -13.678 -10.730 592 HB3 ASN 82 2HB ASN 82 -23.504 -14.283 -11.650 593 HD21 ASN 82 1HD2 ASN 82 -25.298 -15.688 -12.451 594 HD22 ASN 82 2HD2 ASN 82 -25.578 -17.169 -11.608 595 H ILE 83 H ILE 83 -21.930 -15.522 -7.924 596 HA ILE 83 HA ILE 83 -19.538 -15.819 -9.612 597 HB ILE 83 HB ILE 83 -19.845 -16.251 -6.639 598 HG12 ILE 83 1HG1 ILE 83 -18.167 -14.173 -8.035 599 HG13 ILE 83 2HG1 ILE 83 -19.838 -13.866 -7.577 600 HG21 ILE 83 1HG2 ILE 83 -17.427 -16.585 -6.619 601 HG22 ILE 83 2HG2 ILE 83 -18.227 -17.792 -7.624 602 HG23 ILE 83 3HG2 ILE 83 -17.386 -16.436 -8.375 603 HD11 ILE 83 3HD1 ILE 83 -17.671 -13.357 -6.027 604 HD12 ILE 83 1HD1 ILE 83 -19.314 -13.579 -5.428 605 HD13 ILE 83 2HD1 ILE 83 -18.182 -14.931 -5.419 606 H VAL 84 H VAL 84 -19.372 -17.670 -10.673 607 HA VAL 84 HA VAL 84 -21.051 -19.870 -10.378 608 HB VAL 84 HB VAL 84 -19.465 -21.110 -11.773 609 HG11 VAL 84 1HG1 VAL 84 -19.715 -18.252 -12.699 610 HG12 VAL 84 2HG1 VAL 84 -19.538 -19.685 -13.712 611 HG13 VAL 84 3HG1 VAL 84 -21.010 -19.446 -12.770 612 HG21 VAL 84 3HG2 VAL 84 -17.320 -20.310 -12.349 613 HG22 VAL 84 1HG2 VAL 84 -17.634 -18.729 -11.634 614 HG23 VAL 84 2HG2 VAL 84 -17.435 -20.141 -10.597 615 H GLU 85 H GLU 85 -20.915 -21.803 -9.313 616 HA GLU 85 HA GLU 85 -18.715 -22.074 -7.370 617 HB2 GLU 85 1HB GLU 85 -20.925 -21.523 -6.347 618 HB3 GLU 85 2HB GLU 85 -21.564 -23.017 -7.017 619 HG2 GLU 85 1HG GLU 85 -19.580 -24.111 -5.729 620 HG3 GLU 85 2HG GLU 85 -19.621 -22.617 -4.796 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -20.409 2.608 -6.114 2 HA2 GLY 1 1HA GLY 1 -20.023 1.735 -4.007 3 HA3 GLY 1 2HA GLY 1 -19.695 0.279 -4.934 4 H SER 2 H SER 2 -18.354 0.053 -2.849 5 HA SER 2 HA SER 2 -15.676 1.185 -3.341 6 HB2 SER 2 1HB SER 2 -16.968 0.455 -0.703 7 HB3 SER 2 2HB SER 2 -15.282 0.936 -0.890 8 HG SER 2 HG SER 2 -17.352 2.576 -1.864 9 H SER 3 H SER 3 -14.801 -0.462 -4.519 10 HA SER 3 HA SER 3 -14.485 -3.023 -3.107 11 HB2 SER 3 1HB SER 3 -15.275 -2.576 -5.979 12 HB3 SER 3 2HB SER 3 -14.496 -4.072 -5.465 13 HG SER 3 HG SER 3 -16.364 -4.691 -4.763 14 H GLY 4 H GLY 4 -12.424 -3.559 -2.830 15 HA2 GLY 4 1HA GLY 4 -10.389 -2.117 -4.380 16 HA3 GLY 4 2HA GLY 4 -10.126 -2.936 -2.847 17 H SER 5 H SER 5 -8.563 -4.372 -3.302 18 HA SER 5 HA SER 5 -9.200 -6.680 -4.839 19 HB2 SER 5 1HB SER 5 -7.579 -6.491 -6.606 20 HB3 SER 5 2HB SER 5 -8.578 -5.038 -6.644 21 HG SER 5 HG SER 5 -5.935 -5.226 -6.366 22 H SER 6 H SER 6 -7.427 -8.275 -4.825 23 HA SER 6 HA SER 6 -5.146 -7.797 -3.146 24 HB2 SER 6 1HB SER 6 -5.711 -9.292 -1.345 25 HB3 SER 6 2HB SER 6 -7.016 -8.115 -1.495 26 HG SER 6 HG SER 6 -7.837 -9.951 -3.017 27 H GLY 7 H GLY 7 -4.002 -9.987 -2.698 28 HA2 GLY 7 1HA GLY 7 -3.680 -12.265 -3.468 29 HA3 GLY 7 2HA GLY 7 -4.427 -11.798 -4.988 30 H MET 8 H MET 8 -1.717 -12.945 -4.166 31 HA MET 8 HA MET 8 0.341 -11.152 -4.579 32 HB2 MET 8 1HB MET 8 0.173 -14.032 -5.483 33 HB3 MET 8 2HB MET 8 1.656 -13.093 -5.388 34 HG2 MET 8 1HG MET 8 1.246 -12.807 -2.954 35 HG3 MET 8 2HG MET 8 -0.128 -13.899 -3.106 36 HE1 MET 8 3HE MET 8 3.229 -15.261 -1.313 37 HE2 MET 8 1HE MET 8 3.952 -14.112 -2.440 38 HE3 MET 8 2HE MET 8 2.545 -13.644 -1.486 39 H ALA 9 H ALA 9 1.686 -10.781 -6.474 40 HA ALA 9 HA ALA 9 0.160 -9.936 -8.709 41 HB1 ALA 9 3HB ALA 9 2.537 -9.193 -7.717 42 HB2 ALA 9 1HB ALA 9 3.080 -10.229 -9.037 43 HB3 ALA 9 2HB ALA 9 2.030 -8.851 -9.371 44 H SER 10 H SER 10 -0.887 -11.915 -9.343 45 HA SER 10 HA SER 10 0.872 -13.738 -10.850 46 HB2 SER 10 1HB SER 10 -1.011 -15.402 -10.602 47 HB3 SER 10 2HB SER 10 -0.207 -14.967 -9.094 48 HG SER 10 HG SER 10 -2.647 -13.876 -10.054 49 H GLY 11 H GLY 11 0.397 -11.599 -12.259 50 HA2 GLY 11 1HA GLY 11 -1.985 -11.228 -13.605 51 HA3 GLY 11 2HA GLY 11 -0.403 -10.909 -14.299 52 H ILE 12 H ILE 12 0.051 -13.950 -13.747 53 HA ILE 12 HA ILE 12 -0.490 -14.777 -16.412 54 HB ILE 12 HB ILE 12 0.369 -16.392 -14.009 55 HG12 ILE 12 1HG1 ILE 12 2.003 -15.420 -16.359 56 HG13 ILE 12 2HG1 ILE 12 1.910 -14.571 -14.820 57 HG21 ILE 12 1HG2 ILE 12 -0.412 -17.191 -16.692 58 HG22 ILE 12 2HG2 ILE 12 1.218 -17.717 -16.272 59 HG23 ILE 12 3HG2 ILE 12 -0.146 -18.172 -15.251 60 HD11 ILE 12 3HD1 ILE 12 3.918 -15.883 -14.906 61 HD12 ILE 12 1HD1 ILE 12 2.824 -16.569 -13.705 62 HD13 ILE 12 2HD1 ILE 12 2.994 -17.337 -15.283 63 H LEU 13 H LEU 13 -2.231 -15.727 -17.246 64 HA LEU 13 HA LEU 13 -3.987 -17.352 -15.625 65 HB2 LEU 13 1HB LEU 13 -4.698 -14.624 -16.532 66 HB3 LEU 13 2HB LEU 13 -5.933 -15.870 -16.700 67 HG LEU 13 HG LEU 13 -5.307 -16.297 -14.153 68 HD11 LEU 13 1HD1 LEU 13 -5.116 -13.377 -13.989 69 HD12 LEU 13 2HD1 LEU 13 -3.677 -14.176 -14.623 70 HD13 LEU 13 3HD1 LEU 13 -4.310 -14.627 -13.040 71 HD21 LEU 13 3HD2 LEU 13 -7.004 -13.976 -14.217 72 HD22 LEU 13 1HD2 LEU 13 -7.420 -15.662 -13.908 73 HD23 LEU 13 2HD2 LEU 13 -7.378 -15.053 -15.563 74 H VAL 14 H VAL 14 -5.377 -18.670 -16.849 75 HA VAL 14 HA VAL 14 -4.425 -19.248 -19.490 76 HB VAL 14 HB VAL 14 -5.111 -21.061 -18.008 77 HG11 VAL 14 1HG1 VAL 14 -7.093 -19.513 -17.148 78 HG12 VAL 14 2HG1 VAL 14 -7.993 -20.449 -18.342 79 HG13 VAL 14 3HG1 VAL 14 -7.153 -21.271 -17.027 80 HG21 VAL 14 3HG2 VAL 14 -5.550 -22.221 -19.850 81 HG22 VAL 14 1HG2 VAL 14 -7.196 -21.586 -19.878 82 HG23 VAL 14 2HG2 VAL 14 -5.901 -20.718 -20.703 83 H ASN 15 H ASN 15 -4.998 -18.034 -21.170 84 HA ASN 15 HA ASN 15 -7.674 -17.815 -22.023 85 HB2 ASN 15 1HB ASN 15 -8.049 -15.423 -21.794 86 HB3 ASN 15 2HB ASN 15 -7.768 -16.131 -20.205 87 HD21 ASN 15 1HD2 ASN 15 -6.901 -13.711 -22.338 88 HD22 ASN 15 2HD2 ASN 15 -5.471 -13.158 -21.540 89 H VAL 16 H VAL 16 -7.749 -17.383 -24.166 90 HA VAL 16 HA VAL 16 -5.545 -17.542 -25.779 91 HB VAL 16 HB VAL 16 -6.890 -16.698 -27.608 92 HG11 VAL 16 1HG1 VAL 16 -7.526 -18.869 -27.238 93 HG12 VAL 16 2HG1 VAL 16 -8.141 -18.528 -25.619 94 HG13 VAL 16 3HG1 VAL 16 -9.073 -18.046 -27.037 95 HG21 VAL 16 3HG2 VAL 16 -7.860 -14.739 -26.642 96 HG22 VAL 16 1HG2 VAL 16 -9.177 -15.799 -27.143 97 HG23 VAL 16 2HG2 VAL 16 -8.728 -15.694 -25.441 98 H LYS 17 H LYS 17 -4.428 -16.008 -27.111 99 HA LYS 17 HA LYS 17 -3.077 -14.029 -25.970 100 HB2 LYS 17 1HB LYS 17 -2.835 -12.931 -28.159 101 HB3 LYS 17 2HB LYS 17 -2.703 -14.680 -28.287 102 HG2 LYS 17 1HG LYS 17 -5.379 -13.480 -28.709 103 HG3 LYS 17 2HG LYS 17 -4.161 -13.235 -29.963 104 HD2 LYS 17 1HD LYS 17 -3.802 -15.683 -30.037 105 HD3 LYS 17 2HD LYS 17 -5.103 -15.882 -28.860 106 HE2 LYS 17 1HE LYS 17 -6.253 -16.213 -30.815 107 HE3 LYS 17 2HE LYS 17 -6.466 -14.475 -30.608 108 HZ1 LYS 17 3HZ LYS 17 -5.138 -14.011 -32.356 109 HZ2 LYS 17 1HZ LYS 17 -5.609 -15.556 -32.859 110 HZ3 LYS 17 2HZ LYS 17 -4.116 -15.334 -32.097 111 H GLU 18 H GLU 18 -3.327 -11.986 -25.241 112 HA GLU 18 HA GLU 18 -6.039 -10.961 -25.067 113 HB2 GLU 18 1HB GLU 18 -5.091 -9.324 -23.501 114 HB3 GLU 18 2HB GLU 18 -4.671 -10.970 -23.049 115 HG2 GLU 18 1HG GLU 18 -2.711 -9.756 -22.733 116 HG3 GLU 18 2HG GLU 18 -2.478 -10.574 -24.278 117 H GLU 19 H GLU 19 -6.827 -9.259 -26.155 118 HA GLU 19 HA GLU 19 -5.027 -7.924 -28.053 119 HB2 GLU 19 1HB GLU 19 -7.045 -7.335 -29.304 120 HB3 GLU 19 2HB GLU 19 -6.950 -9.071 -29.043 121 HG2 GLU 19 1HG GLU 19 -8.469 -8.662 -27.027 122 HG3 GLU 19 2HG GLU 19 -8.764 -7.077 -27.740 123 H VAL 20 H VAL 20 -7.485 -7.304 -25.596 124 HA VAL 20 HA VAL 20 -7.299 -4.446 -25.844 125 HB VAL 20 HB VAL 20 -8.496 -6.002 -23.552 126 HG11 VAL 20 1HG1 VAL 20 -9.168 -3.259 -24.605 127 HG12 VAL 20 2HG1 VAL 20 -9.796 -4.029 -23.147 128 HG13 VAL 20 3HG1 VAL 20 -8.097 -3.563 -23.237 129 HG21 VAL 20 3HG2 VAL 20 -10.638 -5.813 -24.752 130 HG22 VAL 20 1HG2 VAL 20 -9.783 -5.148 -26.143 131 HG23 VAL 20 2HG2 VAL 20 -9.470 -6.804 -25.625 132 H THR 21 H THR 21 -5.894 -3.132 -24.886 133 HA THR 21 HA THR 21 -4.373 -4.139 -22.572 134 HB THR 21 HB THR 21 -3.225 -2.352 -24.721 135 HG1 THR 21 1HG THR 21 -2.962 -5.164 -24.328 136 HG21 THR 21 3HG2 THR 21 -2.256 -3.456 -22.155 137 HG22 THR 21 1HG2 THR 21 -1.816 -1.964 -22.985 138 HG23 THR 21 2HG2 THR 21 -1.120 -3.500 -23.503 139 H CYS 22 H CYS 22 -3.800 -2.629 -20.995 140 HA CYS 22 HA CYS 22 -5.579 -0.374 -20.795 141 HB2 CYS 22 1HB CYS 22 -5.068 -1.770 -18.832 142 HB3 CYS 22 2HB CYS 22 -3.376 -1.295 -18.936 143 HA PRO 23 HA PRO 23 -2.734 2.493 -22.642 144 HB2 PRO 23 1HB PRO 23 -4.182 4.730 -22.123 145 HB3 PRO 23 2HB PRO 23 -4.596 3.595 -23.414 146 HG2 PRO 23 1HG PRO 23 -5.752 3.839 -20.663 147 HG3 PRO 23 2HG PRO 23 -6.585 3.580 -22.208 148 HD2 PRO 23 1HD PRO 23 -6.082 1.567 -20.468 149 HD3 PRO 23 2HD PRO 23 -6.115 1.324 -22.226 150 H ILE 24 H ILE 24 -3.358 2.038 -19.405 151 HA ILE 24 HA ILE 24 -1.711 4.314 -18.554 152 HB ILE 24 HB ILE 24 -3.574 2.494 -17.054 153 HG12 ILE 24 1HG1 ILE 24 -3.506 5.467 -16.816 154 HG13 ILE 24 2HG1 ILE 24 -4.139 4.769 -18.303 155 HG21 ILE 24 1HG2 ILE 24 -2.860 3.587 -14.979 156 HG22 ILE 24 2HG2 ILE 24 -1.551 2.665 -15.718 157 HG23 ILE 24 3HG2 ILE 24 -1.585 4.422 -15.865 158 HD11 ILE 24 3HD1 ILE 24 -5.545 3.323 -16.605 159 HD12 ILE 24 1HD1 ILE 24 -5.240 4.705 -15.553 160 HD13 ILE 24 2HD1 ILE 24 -6.056 4.936 -17.100 161 H CYS 25 H CYS 25 -2.091 1.000 -17.310 162 HA CYS 25 HA CYS 25 0.675 0.870 -16.571 163 HB2 CYS 25 1HB CYS 25 0.104 -1.491 -15.936 164 HB3 CYS 25 2HB CYS 25 -0.907 -0.268 -15.172 165 H LEU 26 H LEU 26 -1.168 0.021 -19.350 166 HA LEU 26 HA LEU 26 -0.643 -0.951 -21.337 167 HB2 LEU 26 1HB LEU 26 2.233 -0.496 -20.591 168 HB3 LEU 26 2HB LEU 26 1.532 -0.587 -22.206 169 HG LEU 26 HG LEU 26 1.002 1.633 -20.233 170 HD11 LEU 26 1HD1 LEU 26 3.368 1.504 -21.026 171 HD12 LEU 26 2HD1 LEU 26 2.520 2.980 -21.483 172 HD13 LEU 26 3HD1 LEU 26 2.767 1.701 -22.672 173 HD21 LEU 26 3HD2 LEU 26 -0.733 1.985 -21.600 174 HD22 LEU 26 1HD2 LEU 26 -0.109 0.884 -22.828 175 HD23 LEU 26 2HD2 LEU 26 0.471 2.548 -22.760 176 H GLU 27 H GLU 27 -0.990 -2.690 -19.135 177 HA GLU 27 HA GLU 27 0.977 -4.812 -19.663 178 HB2 GLU 27 1HB GLU 27 -0.851 -4.276 -17.332 179 HB3 GLU 27 2HB GLU 27 -0.104 -5.849 -17.575 180 HG2 GLU 27 1HG GLU 27 1.650 -3.458 -17.609 181 HG3 GLU 27 2HG GLU 27 0.998 -3.991 -16.061 182 H LEU 28 H LEU 28 -2.430 -4.835 -18.633 183 HA LEU 28 HA LEU 28 -3.342 -6.097 -21.028 184 HB2 LEU 28 1HB LEU 28 -2.420 -8.088 -20.277 185 HB3 LEU 28 2HB LEU 28 -2.783 -7.733 -18.589 186 HG LEU 28 HG LEU 28 -5.198 -8.110 -19.107 187 HD11 LEU 28 1HD1 LEU 28 -4.861 -9.716 -21.428 188 HD12 LEU 28 2HD1 LEU 28 -4.230 -8.105 -21.767 189 HD13 LEU 28 3HD1 LEU 28 -5.889 -8.301 -21.202 190 HD21 LEU 28 3HD2 LEU 28 -5.054 -10.475 -18.974 191 HD22 LEU 28 1HD2 LEU 28 -3.636 -9.833 -18.144 192 HD23 LEU 28 2HD2 LEU 28 -3.480 -10.492 -19.773 193 H LEU 29 H LEU 29 -5.622 -6.392 -21.066 194 HA LEU 29 HA LEU 29 -7.073 -5.281 -18.764 195 HB2 LEU 29 1HB LEU 29 -7.113 -4.380 -21.604 196 HB3 LEU 29 2HB LEU 29 -8.599 -4.287 -20.661 197 HG LEU 29 HG LEU 29 -6.018 -2.809 -20.234 198 HD11 LEU 29 1HD1 LEU 29 -7.569 -0.872 -20.234 199 HD12 LEU 29 2HD1 LEU 29 -8.884 -1.975 -20.638 200 HD13 LEU 29 3HD1 LEU 29 -7.540 -1.758 -21.758 201 HD21 LEU 29 3HD2 LEU 29 -6.403 -3.276 -18.036 202 HD22 LEU 29 1HD2 LEU 29 -8.134 -3.517 -18.274 203 HD23 LEU 29 2HD2 LEU 29 -7.471 -1.884 -18.224 204 H THR 30 H THR 30 -7.861 -7.273 -18.149 205 HA THR 30 HA THR 30 -9.365 -8.840 -20.108 206 HB THR 30 HB THR 30 -7.949 -10.235 -18.839 207 HG1 THR 30 1HG THR 30 -9.848 -11.019 -17.205 208 HG21 THR 30 3HG2 THR 30 -7.342 -8.762 -17.043 209 HG22 THR 30 1HG2 THR 30 -7.992 -10.242 -16.339 210 HG23 THR 30 2HG2 THR 30 -8.984 -8.786 -16.402 211 H GLN 31 H GLN 31 -9.795 -7.034 -17.117 212 HA GLN 31 HA GLN 31 -12.699 -7.139 -17.557 213 HB2 GLN 31 1HB GLN 31 -13.027 -7.208 -15.100 214 HB3 GLN 31 2HB GLN 31 -12.245 -8.652 -15.729 215 HG2 GLN 31 1HG GLN 31 -10.104 -7.902 -14.945 216 HG3 GLN 31 2HG GLN 31 -10.785 -6.353 -14.451 217 HE21 GLN 31 1HE2 GLN 31 -11.986 -6.223 -12.580 218 HE22 GLN 31 2HE2 GLN 31 -12.042 -7.497 -11.414 219 HA PRO 32 HA PRO 32 -10.873 -2.817 -16.930 220 HB2 PRO 32 1HB PRO 32 -11.370 -1.879 -19.428 221 HB3 PRO 32 2HB PRO 32 -9.859 -2.684 -18.987 222 HG2 PRO 32 1HG PRO 32 -12.260 -3.797 -20.388 223 HG3 PRO 32 2HG PRO 32 -10.541 -4.039 -20.750 224 HD2 PRO 32 1HD PRO 32 -12.019 -5.870 -19.412 225 HD3 PRO 32 2HD PRO 32 -10.288 -5.630 -19.101 226 H LEU 33 H LEU 33 -12.094 -0.722 -17.397 227 HA LEU 33 HA LEU 33 -14.962 -1.226 -17.006 228 HB2 LEU 33 1HB LEU 33 -13.366 1.245 -16.348 229 HB3 LEU 33 2HB LEU 33 -15.054 0.947 -15.937 230 HG LEU 33 HG LEU 33 -12.622 -0.420 -14.796 231 HD11 LEU 33 1HD1 LEU 33 -14.477 1.696 -13.904 232 HD12 LEU 33 2HD1 LEU 33 -12.778 1.432 -13.513 233 HD13 LEU 33 3HD1 LEU 33 -14.026 0.486 -12.703 234 HD21 LEU 33 3HD2 LEU 33 -14.543 -1.419 -13.300 235 HD22 LEU 33 1HD2 LEU 33 -14.068 -2.194 -14.812 236 HD23 LEU 33 2HD2 LEU 33 -15.503 -1.170 -14.759 237 H SER 34 H SER 34 -16.479 0.340 -17.922 238 HA SER 34 HA SER 34 -15.605 1.175 -20.596 239 HB2 SER 34 1HB SER 34 -17.493 -0.352 -20.595 240 HB3 SER 34 2HB SER 34 -18.376 0.687 -19.477 241 HG SER 34 HG SER 34 -18.793 2.070 -21.059 242 H LEU 35 H LEU 35 -16.189 3.224 -21.430 243 HA LEU 35 HA LEU 35 -17.001 5.219 -19.429 244 HB2 LEU 35 1HB LEU 35 -14.821 5.622 -21.468 245 HB3 LEU 35 2HB LEU 35 -15.347 6.773 -20.242 246 HG LEU 35 HG LEU 35 -13.926 4.159 -19.741 247 HD11 LEU 35 1HD1 LEU 35 -12.004 5.374 -19.318 248 HD12 LEU 35 2HD1 LEU 35 -12.883 6.887 -19.100 249 HD13 LEU 35 3HD1 LEU 35 -12.683 6.209 -20.716 250 HD21 LEU 35 3HD2 LEU 35 -13.796 5.554 -17.424 251 HD22 LEU 35 1HD2 LEU 35 -14.989 4.301 -17.765 252 HD23 LEU 35 2HD2 LEU 35 -15.406 6.000 -17.992 253 H ASP 36 H ASP 36 -17.722 7.282 -20.431 254 HA ASP 36 HA ASP 36 -19.471 6.700 -22.664 255 HB2 ASP 36 1HB ASP 36 -20.412 8.935 -22.216 256 HB3 ASP 36 2HB ASP 36 -20.359 7.944 -20.761 257 H CYS 37 H CYS 37 -16.368 7.314 -22.658 258 HA CYS 37 HA CYS 37 -16.427 9.324 -24.803 259 HB2 CYS 37 1HB CYS 37 -14.143 9.788 -24.335 260 HB3 CYS 37 2HB CYS 37 -14.950 9.690 -22.774 261 H GLY 38 H GLY 38 -15.253 6.098 -23.968 262 HA2 GLY 38 1HA GLY 38 -15.476 4.432 -25.789 263 HA3 GLY 38 2HA GLY 38 -14.761 5.640 -26.847 264 H HIS 39 H HIS 39 -13.797 4.699 -23.568 265 HA HIS 39 HA HIS 39 -11.443 3.333 -24.578 266 HB2 HIS 39 1HB HIS 39 -11.230 5.823 -22.872 267 HB3 HIS 39 2HB HIS 39 -9.892 4.739 -23.241 268 HD2 HIS 39 2HD HIS 39 -9.966 4.478 -26.385 269 HE1 HIS 39 1HE HIS 39 -10.356 8.701 -26.506 270 HE2 HIS 39 2HE HIS 39 -9.856 6.619 -27.833 271 H SER 40 H SER 40 -10.809 1.728 -23.255 272 HA SER 40 HA SER 40 -12.260 1.428 -20.732 273 HB2 SER 40 1HB SER 40 -10.502 -0.735 -21.793 274 HB3 SER 40 2HB SER 40 -12.063 -0.851 -20.980 275 HG SER 40 HG SER 40 -12.867 0.189 -23.023 276 H PHE 41 H PHE 41 -11.102 0.550 -18.857 277 HA PHE 41 HA PHE 41 -8.241 0.853 -18.741 278 HB2 PHE 41 1HB PHE 41 -9.969 2.723 -17.108 279 HB3 PHE 41 2HB PHE 41 -8.213 2.609 -17.047 280 HD1 PHE 41 2HD PHE 41 -11.060 3.517 -19.227 281 HD2 PHE 41 1HD PHE 41 -6.870 3.813 -18.543 282 HE1 PHE 41 2HE PHE 41 -10.894 5.214 -21.001 283 HE2 PHE 41 1HE PHE 41 -6.697 5.511 -20.315 284 HZ PHE 41 HZ PHE 41 -8.710 6.213 -21.547 285 H CYS 42 H CYS 42 -7.594 0.738 -16.251 286 HA CYS 42 HA CYS 42 -8.886 -1.674 -15.271 287 HB2 CYS 42 1HB CYS 42 -6.421 -0.206 -14.307 288 HB3 CYS 42 2HB CYS 42 -6.994 -1.745 -13.670 289 H GLN 43 H GLN 43 -10.115 -1.827 -13.480 290 HA GLN 43 HA GLN 43 -11.515 0.290 -12.450 291 HB2 GLN 43 1HB GLN 43 -12.301 -1.909 -12.018 292 HB3 GLN 43 2HB GLN 43 -10.808 -2.363 -11.208 293 HG2 GLN 43 1HG GLN 43 -11.385 -1.340 -9.258 294 HG3 GLN 43 2HG GLN 43 -12.392 -0.135 -10.059 295 HE21 GLN 43 1HE2 GLN 43 -12.482 -3.642 -10.390 296 HE22 GLN 43 2HE2 GLN 43 -14.088 -3.840 -9.785 297 H ALA 44 H ALA 44 -8.279 -0.623 -11.752 298 HA ALA 44 HA ALA 44 -8.191 1.020 -9.332 299 HB1 ALA 44 3HB ALA 44 -5.730 -0.278 -10.326 300 HB2 ALA 44 1HB ALA 44 -6.370 -0.156 -8.687 301 HB3 ALA 44 2HB ALA 44 -7.031 -1.349 -9.805 302 H CYS 45 H CYS 45 -6.309 0.664 -12.346 303 HA CYS 45 HA CYS 45 -4.697 2.852 -12.201 304 HB2 CYS 45 1HB CYS 45 -6.140 1.769 -14.626 305 HB3 CYS 45 2HB CYS 45 -4.834 2.948 -14.707 306 H LEU 46 H LEU 46 -8.080 2.803 -13.247 307 HA LEU 46 HA LEU 46 -8.309 5.463 -14.049 308 HB2 LEU 46 1HB LEU 46 -10.159 3.338 -13.176 309 HB3 LEU 46 2HB LEU 46 -10.768 4.987 -13.051 310 HG LEU 46 HG LEU 46 -9.595 3.974 -15.618 311 HD11 LEU 46 1HD1 LEU 46 -12.494 3.734 -14.840 312 HD12 LEU 46 2HD1 LEU 46 -11.354 2.389 -14.829 313 HD13 LEU 46 3HD1 LEU 46 -11.735 3.209 -16.343 314 HD21 LEU 46 3HD2 LEU 46 -10.025 6.397 -15.276 315 HD22 LEU 46 1HD2 LEU 46 -11.733 6.021 -15.047 316 HD23 LEU 46 2HD2 LEU 46 -10.957 5.691 -16.596 317 H THR 47 H THR 47 -8.973 4.017 -10.865 318 HA THR 47 HA THR 47 -9.782 6.283 -9.506 319 HB THR 47 HB THR 47 -8.148 3.970 -8.446 320 HG1 THR 47 1HG THR 47 -10.856 4.405 -8.961 321 HG21 THR 47 3HG2 THR 47 -9.930 5.437 -6.627 322 HG22 THR 47 1HG2 THR 47 -8.513 6.340 -7.160 323 HG23 THR 47 2HG2 THR 47 -8.315 4.786 -6.351 324 H ALA 48 H ALA 48 -6.500 5.142 -10.158 325 HA ALA 48 HA ALA 48 -5.241 7.215 -8.631 326 HB1 ALA 48 3HB ALA 48 -3.571 5.762 -8.785 327 HB2 ALA 48 1HB ALA 48 -4.425 4.848 -10.028 328 HB3 ALA 48 2HB ALA 48 -3.393 6.203 -10.483 329 H ASN 49 H ASN 49 -6.443 6.909 -11.854 330 HA ASN 49 HA ASN 49 -4.878 9.064 -12.947 331 HB2 ASN 49 1HB ASN 49 -5.573 7.372 -14.484 332 HB3 ASN 49 2HB ASN 49 -7.255 7.515 -13.983 333 HD21 ASN 49 1HD2 ASN 49 -8.537 8.986 -14.939 334 HD22 ASN 49 2HD2 ASN 49 -8.020 10.073 -16.179 335 H HIS 50 H HIS 50 -8.210 8.631 -11.822 336 HA HIS 50 HA HIS 50 -9.185 11.166 -12.486 337 HB2 HIS 50 1HB HIS 50 -9.984 9.428 -10.142 338 HB3 HIS 50 2HB HIS 50 -10.934 10.746 -10.822 339 HD2 HIS 50 2HD HIS 50 -10.857 7.050 -11.047 340 HE1 HIS 50 1HE HIS 50 -12.316 8.323 -14.822 341 HE2 HIS 50 2HE HIS 50 -12.098 6.392 -13.219 342 H LYS 51 H LYS 51 -7.461 10.028 -9.625 343 HA LYS 51 HA LYS 51 -7.676 12.556 -8.264 344 HB2 LYS 51 1HB LYS 51 -6.735 11.505 -6.464 345 HB3 LYS 51 2HB LYS 51 -7.332 10.094 -7.326 346 HG2 LYS 51 1HG LYS 51 -4.920 10.238 -8.433 347 HG3 LYS 51 2HG LYS 51 -4.557 11.025 -6.895 348 HD2 LYS 51 1HD LYS 51 -6.050 8.429 -6.966 349 HD3 LYS 51 2HD LYS 51 -4.289 8.456 -7.092 350 HE2 LYS 51 1HE LYS 51 -4.495 10.017 -4.984 351 HE3 LYS 51 2HE LYS 51 -6.048 9.202 -4.805 352 HZ1 LYS 51 3HZ LYS 51 -4.407 8.019 -3.563 353 HZ2 LYS 51 1HZ LYS 51 -3.371 7.924 -4.897 354 HZ3 LYS 51 2HZ LYS 51 -4.831 7.070 -4.897 355 H LYS 52 H LYS 52 -5.674 11.272 -10.681 356 HA LYS 52 HA LYS 52 -3.352 12.876 -10.035 357 HB2 LYS 52 1HB LYS 52 -2.887 10.776 -11.056 358 HB3 LYS 52 2HB LYS 52 -4.045 11.069 -12.347 359 HG2 LYS 52 1HG LYS 52 -1.778 12.961 -12.069 360 HG3 LYS 52 2HG LYS 52 -1.442 11.348 -12.703 361 HD2 LYS 52 1HD LYS 52 -2.951 11.651 -14.511 362 HD3 LYS 52 2HD LYS 52 -3.623 13.117 -13.791 363 HE2 LYS 52 1HE LYS 52 -2.220 14.055 -15.326 364 HE3 LYS 52 2HE LYS 52 -1.112 13.922 -13.961 365 HZ1 LYS 52 3HZ LYS 52 0.158 12.950 -15.539 366 HZ2 LYS 52 1HZ LYS 52 -1.160 12.434 -16.467 367 HZ3 LYS 52 2HZ LYS 52 -0.711 11.572 -15.083 368 H SER 53 H SER 53 -6.139 13.033 -12.137 369 HA SER 53 HA SER 53 -5.113 15.372 -13.532 370 HB2 SER 53 1HB SER 53 -7.696 13.821 -13.793 371 HB3 SER 53 2HB SER 53 -7.314 15.253 -14.748 372 HG SER 53 HG SER 53 -5.235 13.756 -15.022 373 H MET 54 H MET 54 -5.684 15.434 -10.635 374 HA MET 54 HA MET 54 -7.958 17.271 -10.497 375 HB2 MET 54 1HB MET 54 -6.279 16.116 -8.264 376 HB3 MET 54 2HB MET 54 -7.751 17.059 -8.072 377 HG2 MET 54 1HG MET 54 -7.668 14.442 -9.540 378 HG3 MET 54 2HG MET 54 -7.979 14.569 -7.811 379 HE1 MET 54 3HE MET 54 -10.484 16.176 -11.239 380 HE2 MET 54 1HE MET 54 -8.807 15.629 -11.246 381 HE3 MET 54 2HE MET 54 -10.119 14.450 -11.261 382 H LEU 55 H LEU 55 -4.521 17.126 -9.591 383 HA LEU 55 HA LEU 55 -4.198 19.681 -8.602 384 HB2 LEU 55 1HB LEU 55 -1.832 19.486 -9.398 385 HB3 LEU 55 2HB LEU 55 -2.412 18.144 -8.415 386 HG LEU 55 HG LEU 55 -2.896 17.113 -10.826 387 HD11 LEU 55 1HD1 LEU 55 -2.152 18.612 -12.356 388 HD12 LEU 55 2HD1 LEU 55 -0.629 17.776 -12.054 389 HD13 LEU 55 3HD1 LEU 55 -0.964 19.314 -11.258 390 HD21 LEU 55 3HD2 LEU 55 -1.572 16.043 -9.117 391 HD22 LEU 55 1HD2 LEU 55 -0.235 17.156 -9.409 392 HD23 LEU 55 2HD2 LEU 55 -0.700 15.993 -10.651 393 H ASP 56 H ASP 56 -4.555 18.631 -11.903 394 HA ASP 56 HA ASP 56 -3.924 21.307 -12.907 395 HB2 ASP 56 1HB ASP 56 -2.926 19.413 -14.098 396 HB3 ASP 56 2HB ASP 56 -4.528 18.742 -14.395 397 H LYS 57 H LYS 57 -6.485 18.879 -13.442 398 HA LYS 57 HA LYS 57 -8.391 21.108 -13.744 399 HB2 LYS 57 1HB LYS 57 -9.725 19.218 -14.999 400 HB3 LYS 57 2HB LYS 57 -8.471 20.132 -15.826 401 HG2 LYS 57 1HG LYS 57 -6.886 18.259 -15.178 402 HG3 LYS 57 2HG LYS 57 -8.327 17.339 -14.737 403 HD2 LYS 57 1HD LYS 57 -7.844 16.707 -16.952 404 HD3 LYS 57 2HD LYS 57 -9.177 17.857 -17.082 405 HE2 LYS 57 1HE LYS 57 -7.576 18.397 -18.769 406 HE3 LYS 57 2HE LYS 57 -7.489 19.643 -17.524 407 HZ1 LYS 57 3HZ LYS 57 -5.505 18.719 -16.675 408 HZ2 LYS 57 1HZ LYS 57 -5.303 18.793 -18.353 409 HZ3 LYS 57 2HZ LYS 57 -5.656 17.316 -17.608 410 H GLY 58 H GLY 58 -9.325 21.289 -11.780 411 HA2 GLY 58 1HA GLY 58 -9.705 19.637 -9.737 412 HA3 GLY 58 2HA GLY 58 -10.996 20.711 -10.254 413 H GLU 59 H GLU 59 -11.459 19.368 -12.774 414 HA GLU 59 HA GLU 59 -12.927 17.056 -11.729 415 HB2 GLU 59 1HB GLU 59 -13.278 18.524 -14.349 416 HB3 GLU 59 2HB GLU 59 -14.316 17.248 -13.729 417 HG2 GLU 59 1HG GLU 59 -14.860 18.707 -11.796 418 HG3 GLU 59 2HG GLU 59 -13.934 19.995 -12.566 419 H SER 60 H SER 60 -12.720 15.022 -12.571 420 HA SER 60 HA SER 60 -10.261 14.243 -13.629 421 HB2 SER 60 1HB SER 60 -12.822 12.674 -13.956 422 HB3 SER 60 2HB SER 60 -11.179 12.049 -13.817 423 HG SER 60 HG SER 60 -11.148 12.791 -11.668 424 H SER 61 H SER 61 -9.944 13.044 -15.709 425 HA SER 61 HA SER 61 -11.615 13.672 -17.942 426 HB2 SER 61 1HB SER 61 -9.098 15.251 -17.479 427 HB3 SER 61 2HB SER 61 -9.681 14.947 -19.115 428 HG SER 61 HG SER 61 -11.282 16.084 -17.071 429 H CYS 62 H CYS 62 -11.467 11.947 -19.197 430 HA CYS 62 HA CYS 62 -9.943 9.768 -18.977 431 HB2 CYS 62 1HB CYS 62 -11.726 10.009 -20.655 432 HB3 CYS 62 2HB CYS 62 -10.673 11.033 -21.627 433 HA PRO 63 HA PRO 63 -5.747 11.092 -19.561 434 HB2 PRO 63 1HB PRO 63 -4.631 8.618 -19.473 435 HB3 PRO 63 2HB PRO 63 -5.194 9.470 -18.030 436 HG2 PRO 63 1HG PRO 63 -6.554 7.325 -19.614 437 HG3 PRO 63 2HG PRO 63 -6.436 7.512 -17.855 438 HD2 PRO 63 1HD PRO 63 -8.649 8.214 -19.249 439 HD3 PRO 63 2HD PRO 63 -8.135 9.068 -17.780 440 H VAL 64 H VAL 64 -7.705 9.564 -21.753 441 HA VAL 64 HA VAL 64 -5.548 9.227 -23.727 442 HB VAL 64 HB VAL 64 -8.379 8.174 -23.827 443 HG11 VAL 64 1HG1 VAL 64 -7.654 6.926 -25.777 444 HG12 VAL 64 2HG1 VAL 64 -7.416 8.654 -26.040 445 HG13 VAL 64 3HG1 VAL 64 -6.040 7.622 -25.650 446 HG21 VAL 64 3HG2 VAL 64 -5.836 6.605 -23.451 447 HG22 VAL 64 1HG2 VAL 64 -6.850 7.142 -22.112 448 HG23 VAL 64 2HG2 VAL 64 -7.497 6.028 -23.316 449 H CYS 65 H CYS 65 -8.911 10.394 -23.499 450 HA CYS 65 HA CYS 65 -8.319 12.266 -25.693 451 HB2 CYS 65 1HB CYS 65 -10.779 12.354 -26.035 452 HB3 CYS 65 2HB CYS 65 -10.112 10.740 -26.262 453 H ARG 66 H ARG 66 -9.225 11.981 -22.385 454 HA ARG 66 HA ARG 66 -9.579 13.507 -20.736 455 HB2 ARG 66 1HB ARG 66 -8.444 15.478 -22.729 456 HB3 ARG 66 2HB ARG 66 -8.600 15.730 -20.995 457 HG2 ARG 66 1HG ARG 66 -7.045 13.381 -21.932 458 HG3 ARG 66 2HG ARG 66 -6.325 14.984 -22.094 459 HD2 ARG 66 1HD ARG 66 -6.922 15.322 -19.643 460 HD3 ARG 66 2HD ARG 66 -7.235 13.588 -19.592 461 HE ARG 66 HE ARG 66 -4.971 13.199 -19.682 462 HH11 ARG 66 1HH1 ARG 66 -5.619 16.545 -20.390 463 HH12 ARG 66 2HH1 ARG 66 -3.955 17.020 -20.310 464 HH21 ARG 66 1HH2 ARG 66 -2.776 13.812 -19.574 465 HH22 ARG 66 2HH2 ARG 66 -2.338 15.464 -19.847 466 H ILE 67 H ILE 67 -11.808 12.875 -22.142 467 HA ILE 67 HA ILE 67 -13.173 15.263 -23.021 468 HB ILE 67 HB ILE 67 -13.544 12.905 -23.944 469 HG12 ILE 67 1HG1 ILE 67 -16.056 14.333 -23.074 470 HG13 ILE 67 2HG1 ILE 67 -14.984 14.974 -24.315 471 HG21 ILE 67 1HG2 ILE 67 -15.348 11.642 -22.755 472 HG22 ILE 67 2HG2 ILE 67 -13.794 11.667 -21.923 473 HG23 ILE 67 3HG2 ILE 67 -15.104 12.714 -21.376 474 HD11 ILE 67 3HD1 ILE 67 -15.528 13.327 -25.821 475 HD12 ILE 67 1HD1 ILE 67 -16.038 12.198 -24.566 476 HD13 ILE 67 2HD1 ILE 67 -17.060 13.574 -24.984 477 H SER 68 H SER 68 -15.306 15.856 -22.103 478 HA SER 68 HA SER 68 -15.077 16.153 -19.243 479 HB2 SER 68 1HB SER 68 -16.871 17.271 -21.365 480 HB3 SER 68 2HB SER 68 -17.372 17.370 -19.677 481 HG SER 68 HG SER 68 -15.823 18.772 -19.282 482 H TYR 69 H TYR 69 -15.773 14.646 -17.892 483 HA TYR 69 HA TYR 69 -18.435 13.600 -18.074 484 HB2 TYR 69 1HB TYR 69 -17.955 11.299 -18.392 485 HB3 TYR 69 2HB TYR 69 -17.068 12.147 -19.653 486 HD1 TYR 69 2HD TYR 69 -14.688 13.086 -18.229 487 HD2 TYR 69 1HD TYR 69 -16.740 9.370 -17.944 488 HE1 TYR 69 2HE TYR 69 -12.606 11.999 -17.499 489 HE2 TYR 69 1HE TYR 69 -14.664 8.273 -17.212 490 HH TYR 69 HH TYR 69 -12.054 9.851 -16.075 491 H GLN 70 H GLN 70 -19.097 12.517 -16.170 492 HA GLN 70 HA GLN 70 -17.368 13.089 -13.874 493 HB2 GLN 70 1HB GLN 70 -20.337 12.619 -14.116 494 HB3 GLN 70 2HB GLN 70 -19.510 12.703 -12.566 495 HG2 GLN 70 1HG GLN 70 -18.742 14.975 -13.135 496 HG3 GLN 70 2HG GLN 70 -19.667 14.884 -14.633 497 HE21 GLN 70 1HE2 GLN 70 -20.010 16.821 -12.602 498 HE22 GLN 70 2HE2 GLN 70 -21.601 16.632 -11.955 499 HA PRO 71 HA PRO 71 -16.515 8.767 -13.443 500 HB2 PRO 71 1HB PRO 71 -15.376 8.897 -10.982 501 HB3 PRO 71 2HB PRO 71 -14.547 9.421 -12.453 502 HG2 PRO 71 1HG PRO 71 -15.975 11.062 -10.396 503 HG3 PRO 71 2HG PRO 71 -14.427 11.377 -11.201 504 HD2 PRO 71 1HD PRO 71 -16.732 12.580 -11.956 505 HD3 PRO 71 2HD PRO 71 -15.439 12.187 -13.107 506 H GLU 72 H GLU 72 -18.707 10.585 -11.600 507 HA GLU 72 HA GLU 72 -19.411 8.614 -9.662 508 HB2 GLU 72 1HB GLU 72 -19.857 11.068 -9.433 509 HB3 GLU 72 2HB GLU 72 -21.094 10.911 -10.672 510 HG2 GLU 72 1HG GLU 72 -21.192 9.211 -8.218 511 HG3 GLU 72 2HG GLU 72 -21.773 10.875 -8.181 512 H ASN 73 H ASN 73 -21.315 9.868 -12.409 513 HA ASN 73 HA ASN 73 -23.292 7.970 -12.449 514 HB2 ASN 73 1HB ASN 73 -21.995 9.505 -14.695 515 HB3 ASN 73 2HB ASN 73 -23.357 8.424 -14.977 516 HD21 ASN 73 1HD2 ASN 73 -23.347 11.200 -15.462 517 HD22 ASN 73 2HD2 ASN 73 -24.514 11.927 -14.415 518 H ILE 74 H ILE 74 -20.163 7.821 -14.129 519 HA ILE 74 HA ILE 74 -20.325 5.560 -15.583 520 HB ILE 74 HB ILE 74 -18.025 6.224 -13.742 521 HG12 ILE 74 1HG1 ILE 74 -18.464 6.951 -16.646 522 HG13 ILE 74 2HG1 ILE 74 -18.686 8.054 -15.292 523 HG21 ILE 74 1HG2 ILE 74 -16.762 5.017 -15.653 524 HG22 ILE 74 2HG2 ILE 74 -17.589 4.056 -14.428 525 HG23 ILE 74 3HG2 ILE 74 -18.332 4.298 -16.009 526 HD11 ILE 74 3HD1 ILE 74 -16.249 7.198 -16.640 527 HD12 ILE 74 1HD1 ILE 74 -16.578 8.649 -15.694 528 HD13 ILE 74 2HD1 ILE 74 -16.148 7.145 -14.880 529 H ARG 75 H ARG 75 -20.171 3.345 -15.288 530 HA ARG 75 HA ARG 75 -19.969 2.231 -12.628 531 HB2 ARG 75 1HB ARG 75 -22.116 1.126 -12.632 532 HB3 ARG 75 2HB ARG 75 -22.363 2.857 -12.815 533 HG2 ARG 75 1HG ARG 75 -22.489 2.403 -15.321 534 HG3 ARG 75 2HG ARG 75 -22.645 0.702 -14.878 535 HD2 ARG 75 1HD ARG 75 -24.428 2.862 -13.776 536 HD3 ARG 75 2HD ARG 75 -24.807 1.957 -15.240 537 HE ARG 75 HE ARG 75 -24.404 -0.016 -13.489 538 HH11 ARG 75 1HH1 ARG 75 -26.253 2.924 -13.243 539 HH12 ARG 75 2HH1 ARG 75 -27.418 2.253 -12.149 540 HH21 ARG 75 1HH2 ARG 75 -25.931 -0.910 -12.050 541 HH22 ARG 75 2HH2 ARG 75 -27.233 0.073 -11.471 542 HA PRO 76 HA PRO 76 -18.180 -1.107 -14.852 543 HB2 PRO 76 1HB PRO 76 -18.610 -3.146 -13.112 544 HB3 PRO 76 2HB PRO 76 -17.416 -1.875 -12.826 545 HG2 PRO 76 1HG PRO 76 -20.191 -2.149 -11.736 546 HG3 PRO 76 2HG PRO 76 -18.704 -1.664 -10.901 547 HD2 PRO 76 1HD PRO 76 -20.551 0.127 -11.745 548 HD3 PRO 76 2HD PRO 76 -18.816 0.498 -11.691 549 H ASN 77 H ASN 77 -18.665 -2.974 -16.063 550 HA ASN 77 HA ASN 77 -21.050 -3.139 -17.343 551 HB2 ASN 77 1HB ASN 77 -20.448 -5.398 -18.028 552 HB3 ASN 77 2HB ASN 77 -19.014 -4.377 -18.011 553 HD21 ASN 77 1HD2 ASN 77 -17.611 -4.532 -16.135 554 HD22 ASN 77 2HD2 ASN 77 -17.473 -6.045 -15.314 555 H ARG 78 H ARG 78 -20.129 -5.198 -14.580 556 HA ARG 78 HA ARG 78 -22.802 -5.136 -13.536 557 HB2 ARG 78 1HB ARG 78 -22.638 -6.945 -15.445 558 HB3 ARG 78 2HB ARG 78 -21.849 -7.893 -14.191 559 HG2 ARG 78 1HG ARG 78 -23.830 -7.580 -12.753 560 HG3 ARG 78 2HG ARG 78 -24.620 -6.723 -14.078 561 HD2 ARG 78 1HD ARG 78 -23.574 -9.539 -14.292 562 HD3 ARG 78 2HD ARG 78 -25.236 -9.145 -13.856 563 HE ARG 78 HE ARG 78 -25.650 -8.540 -16.046 564 HH11 ARG 78 1HH1 ARG 78 -22.251 -9.127 -15.575 565 HH12 ARG 78 2HH1 ARG 78 -21.883 -9.126 -17.268 566 HH21 ARG 78 1HH2 ARG 78 -25.178 -8.537 -18.278 567 HH22 ARG 78 2HH2 ARG 78 -23.549 -8.790 -18.805 568 H HIS 79 H HIS 79 -22.628 -5.151 -11.398 569 HA HIS 79 HA HIS 79 -20.269 -6.445 -10.195 570 HB2 HIS 79 1HB HIS 79 -20.340 -3.947 -10.015 571 HB3 HIS 79 2HB HIS 79 -21.821 -4.104 -9.073 572 HD2 HIS 79 2HD HIS 79 -18.772 -6.457 -8.375 573 HE1 HIS 79 1HE HIS 79 -19.239 -3.809 -5.094 574 HE2 HIS 79 2HE HIS 79 -17.954 -5.767 -6.020 575 H VAL 80 H VAL 80 -22.524 -7.958 -10.714 576 HA VAL 80 HA VAL 80 -23.734 -8.286 -8.046 577 HB VAL 80 HB VAL 80 -25.648 -9.305 -9.072 578 HG11 VAL 80 1HG1 VAL 80 -24.859 -6.633 -9.543 579 HG12 VAL 80 2HG1 VAL 80 -25.700 -7.196 -10.990 580 HG13 VAL 80 3HG1 VAL 80 -26.494 -7.283 -9.417 581 HG21 VAL 80 3HG2 VAL 80 -25.132 -10.550 -10.886 582 HG22 VAL 80 1HG2 VAL 80 -25.565 -9.078 -11.754 583 HG23 VAL 80 2HG2 VAL 80 -23.871 -9.440 -11.423 584 H ALA 81 H ALA 81 -23.610 -10.228 -7.035 585 HA ALA 81 HA ALA 81 -21.566 -12.010 -7.633 586 HB1 ALA 81 3HB ALA 81 -23.549 -13.414 -6.170 587 HB2 ALA 81 1HB ALA 81 -22.060 -12.676 -5.578 588 HB3 ALA 81 2HB ALA 81 -23.553 -11.737 -5.625 589 H ASN 82 H ASN 82 -25.030 -12.239 -8.357 590 HA ASN 82 HA ASN 82 -24.859 -14.815 -9.558 591 HB2 ASN 82 1HB ASN 82 -27.142 -14.041 -10.555 592 HB3 ASN 82 2HB ASN 82 -27.007 -14.308 -8.820 593 HD21 ASN 82 1HD2 ASN 82 -27.151 -11.900 -11.345 594 HD22 ASN 82 2HD2 ASN 82 -27.613 -10.581 -10.328 595 H ILE 83 H ILE 83 -25.630 -15.116 -11.892 596 HA ILE 83 HA ILE 83 -23.862 -13.541 -13.591 597 HB ILE 83 HB ILE 83 -24.388 -15.242 -15.325 598 HG12 ILE 83 1HG1 ILE 83 -25.800 -16.746 -13.123 599 HG13 ILE 83 2HG1 ILE 83 -26.662 -15.777 -14.313 600 HG21 ILE 83 1HG2 ILE 83 -22.421 -15.627 -14.101 601 HG22 ILE 83 2HG2 ILE 83 -23.313 -16.111 -12.660 602 HG23 ILE 83 3HG2 ILE 83 -23.283 -17.165 -14.073 603 HD11 ILE 83 3HD1 ILE 83 -24.849 -18.084 -14.974 604 HD12 ILE 83 1HD1 ILE 83 -26.605 -18.180 -14.852 605 HD13 ILE 83 2HD1 ILE 83 -25.860 -17.174 -16.095 606 H VAL 84 H VAL 84 -24.928 -13.558 -16.016 607 HA VAL 84 HA VAL 84 -27.057 -11.623 -15.807 608 HB VAL 84 HB VAL 84 -25.214 -11.325 -17.424 609 HG11 VAL 84 1HG1 VAL 84 -25.546 -12.736 -19.592 610 HG12 VAL 84 2HG1 VAL 84 -24.630 -13.403 -18.239 611 HG13 VAL 84 3HG1 VAL 84 -26.306 -13.890 -18.496 612 HG21 VAL 84 3HG2 VAL 84 -27.601 -11.632 -19.154 613 HG22 VAL 84 1HG2 VAL 84 -27.762 -10.613 -17.724 614 HG23 VAL 84 2HG2 VAL 84 -26.531 -10.248 -18.933 615 H GLU 85 H GLU 85 -27.902 -14.115 -14.887 616 HA GLU 85 HA GLU 85 -29.586 -15.181 -17.038 617 HB2 GLU 85 1HB GLU 85 -28.277 -16.813 -15.759 618 HB3 GLU 85 2HB GLU 85 -29.032 -16.264 -14.270 619 HG2 GLU 85 1HG GLU 85 -31.066 -17.230 -14.788 620 HG3 GLU 85 2HG GLU 85 -30.715 -17.286 -16.514 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -4.838 -9.853 -6.549 2 HA2 GLY 1 1HA GLY 1 -5.890 -12.104 -5.134 3 HA3 GLY 1 2HA GLY 1 -4.521 -12.553 -6.140 4 H SER 2 H SER 2 -3.271 -13.092 -4.326 5 HA SER 2 HA SER 2 -2.608 -10.921 -2.477 6 HB2 SER 2 1HB SER 2 -1.845 -13.850 -2.384 7 HB3 SER 2 2HB SER 2 -1.519 -12.659 -1.126 8 HG SER 2 HG SER 2 -3.896 -13.921 -1.815 9 H SER 3 H SER 3 -1.058 -13.200 -4.706 10 HA SER 3 HA SER 3 1.451 -11.701 -4.477 11 HB2 SER 3 1HB SER 3 0.738 -14.461 -5.372 12 HB3 SER 3 2HB SER 3 2.183 -13.708 -6.047 13 HG SER 3 HG SER 3 3.041 -14.462 -4.267 14 H GLY 4 H GLY 4 2.140 -10.375 -6.035 15 HA2 GLY 4 1HA GLY 4 2.285 -10.370 -8.625 16 HA3 GLY 4 2HA GLY 4 0.538 -10.219 -8.495 17 H SER 5 H SER 5 3.608 -8.631 -7.991 18 HA SER 5 HA SER 5 2.328 -6.053 -8.274 19 HB2 SER 5 1HB SER 5 3.446 -5.145 -6.210 20 HB3 SER 5 2HB SER 5 2.135 -6.278 -5.886 21 HG SER 5 HG SER 5 4.760 -7.244 -6.097 22 H SER 6 H SER 6 4.001 -4.273 -8.312 23 HA SER 6 HA SER 6 6.129 -5.073 -10.058 24 HB2 SER 6 1HB SER 6 5.278 -2.411 -8.918 25 HB3 SER 6 2HB SER 6 6.699 -2.585 -9.948 26 HG SER 6 HG SER 6 4.631 -2.044 -11.007 27 H GLY 7 H GLY 7 7.478 -6.390 -8.799 28 HA2 GLY 7 1HA GLY 7 9.558 -5.017 -7.433 29 HA3 GLY 7 2HA GLY 7 8.509 -5.838 -6.286 30 H MET 8 H MET 8 7.886 -8.111 -7.838 31 HA MET 8 HA MET 8 10.082 -9.763 -7.232 32 HB2 MET 8 1HB MET 8 7.514 -10.136 -8.718 33 HB3 MET 8 2HB MET 8 8.743 -11.391 -8.808 34 HG2 MET 8 1HG MET 8 7.814 -10.326 -6.171 35 HG3 MET 8 2HG MET 8 6.911 -11.577 -7.022 36 HE1 MET 8 3HE MET 8 10.355 -12.039 -4.294 37 HE2 MET 8 1HE MET 8 9.405 -10.607 -4.694 38 HE3 MET 8 2HE MET 8 8.636 -11.983 -3.903 39 H ALA 9 H ALA 9 11.386 -11.036 -8.682 40 HA ALA 9 HA ALA 9 12.317 -9.471 -10.938 41 HB1 ALA 9 3HB ALA 9 13.384 -12.062 -9.824 42 HB2 ALA 9 1HB ALA 9 14.180 -11.023 -11.006 43 HB3 ALA 9 2HB ALA 9 13.923 -10.448 -9.358 44 H SER 10 H SER 10 11.029 -9.669 -12.687 45 HA SER 10 HA SER 10 10.571 -12.395 -13.707 46 HB2 SER 10 1HB SER 10 8.419 -11.643 -14.628 47 HB3 SER 10 2HB SER 10 8.457 -11.450 -12.876 48 HG SER 10 HG SER 10 8.879 -9.244 -13.185 49 H GLY 11 H GLY 11 10.793 -8.954 -14.581 50 HA2 GLY 11 1HA GLY 11 11.285 -7.981 -16.633 51 HA3 GLY 11 2HA GLY 11 12.716 -8.984 -16.444 52 H ILE 12 H ILE 12 9.309 -9.624 -17.283 53 HA ILE 12 HA ILE 12 10.223 -11.406 -19.409 54 HB ILE 12 HB ILE 12 7.864 -12.096 -19.582 55 HG12 ILE 12 1HG1 ILE 12 7.269 -10.496 -17.113 56 HG13 ILE 12 2HG1 ILE 12 7.096 -9.761 -18.703 57 HG21 ILE 12 1HG2 ILE 12 9.081 -13.470 -18.163 58 HG22 ILE 12 2HG2 ILE 12 9.270 -12.211 -16.944 59 HG23 ILE 12 3HG2 ILE 12 7.707 -12.996 -17.165 60 HD11 ILE 12 3HD1 ILE 12 5.686 -12.244 -17.753 61 HD12 ILE 12 1HD1 ILE 12 4.981 -10.632 -17.872 62 HD13 ILE 12 2HD1 ILE 12 5.495 -11.479 -19.331 63 H LEU 13 H LEU 13 9.671 -11.161 -21.562 64 HA LEU 13 HA LEU 13 8.656 -8.496 -22.301 65 HB2 LEU 13 1HB LEU 13 10.797 -10.227 -23.408 66 HB3 LEU 13 2HB LEU 13 9.866 -9.253 -24.545 67 HG LEU 13 HG LEU 13 11.766 -7.973 -24.069 68 HD11 LEU 13 1HD1 LEU 13 10.838 -6.016 -23.377 69 HD12 LEU 13 2HD1 LEU 13 10.027 -6.756 -21.997 70 HD13 LEU 13 3HD1 LEU 13 9.364 -6.954 -23.618 71 HD21 LEU 13 3HD2 LEU 13 11.551 -9.227 -21.445 72 HD22 LEU 13 1HD2 LEU 13 11.972 -7.515 -21.372 73 HD23 LEU 13 2HD2 LEU 13 12.970 -8.630 -22.306 74 H VAL 14 H VAL 14 7.143 -8.307 -23.945 75 HA VAL 14 HA VAL 14 5.904 -10.831 -24.832 76 HB VAL 14 HB VAL 14 4.507 -8.239 -24.154 77 HG11 VAL 14 1HG1 VAL 14 3.297 -10.850 -25.050 78 HG12 VAL 14 2HG1 VAL 14 2.446 -9.342 -24.708 79 HG13 VAL 14 3HG1 VAL 14 3.532 -9.449 -26.094 80 HG21 VAL 14 3HG2 VAL 14 3.987 -9.098 -22.146 81 HG22 VAL 14 1HG2 VAL 14 3.720 -10.714 -22.799 82 HG23 VAL 14 2HG2 VAL 14 5.357 -10.172 -22.427 83 H ASN 15 H ASN 15 5.162 -10.947 -26.939 84 HA ASN 15 HA ASN 15 6.311 -8.970 -28.750 85 HB2 ASN 15 1HB ASN 15 6.884 -11.128 -29.446 86 HB3 ASN 15 2HB ASN 15 5.287 -11.774 -29.080 87 HD21 ASN 15 1HD2 ASN 15 6.450 -9.030 -31.006 88 HD22 ASN 15 2HD2 ASN 15 5.627 -9.481 -32.456 89 H VAL 16 H VAL 16 3.267 -10.829 -28.783 90 HA VAL 16 HA VAL 16 1.937 -8.515 -29.992 91 HB VAL 16 HB VAL 16 1.342 -10.276 -31.320 92 HG11 VAL 16 1HG1 VAL 16 2.452 -12.095 -30.436 93 HG12 VAL 16 2HG1 VAL 16 1.676 -11.937 -28.859 94 HG13 VAL 16 3HG1 VAL 16 0.766 -12.571 -30.231 95 HG21 VAL 16 3HG2 VAL 16 -0.707 -9.290 -30.359 96 HG22 VAL 16 1HG2 VAL 16 -0.919 -10.979 -30.819 97 HG23 VAL 16 2HG2 VAL 16 -0.708 -10.547 -29.122 98 H LYS 17 H LYS 17 0.985 -7.166 -28.623 99 HA LYS 17 HA LYS 17 0.392 -7.676 -25.948 100 HB2 LYS 17 1HB LYS 17 -0.526 -5.548 -25.876 101 HB3 LYS 17 2HB LYS 17 0.551 -5.432 -27.262 102 HG2 LYS 17 1HG LYS 17 -2.382 -6.052 -27.498 103 HG3 LYS 17 2HG LYS 17 -1.720 -4.417 -27.565 104 HD2 LYS 17 1HD LYS 17 -0.669 -6.573 -29.362 105 HD3 LYS 17 2HD LYS 17 -2.139 -5.688 -29.777 106 HE2 LYS 17 1HE LYS 17 0.436 -4.304 -29.075 107 HE3 LYS 17 2HE LYS 17 0.053 -4.803 -30.722 108 HZ1 LYS 17 3HZ LYS 17 -0.781 -2.497 -29.374 109 HZ2 LYS 17 1HZ LYS 17 -2.155 -3.433 -29.688 110 HZ3 LYS 17 2HZ LYS 17 -1.138 -2.970 -30.958 111 H GLU 18 H GLU 18 -1.428 -8.300 -24.853 112 HA GLU 18 HA GLU 18 -3.127 -10.171 -25.914 113 HB2 GLU 18 1HB GLU 18 -3.743 -8.274 -23.642 114 HB3 GLU 18 2HB GLU 18 -4.578 -9.787 -23.965 115 HG2 GLU 18 1HG GLU 18 -1.673 -9.493 -23.236 116 HG3 GLU 18 2HG GLU 18 -2.965 -10.030 -22.165 117 H GLU 19 H GLU 19 -5.515 -10.058 -26.188 118 HA GLU 19 HA GLU 19 -6.249 -8.424 -28.284 119 HB2 GLU 19 1HB GLU 19 -8.611 -9.011 -27.680 120 HB3 GLU 19 2HB GLU 19 -7.527 -10.389 -27.811 121 HG2 GLU 19 1HG GLU 19 -7.391 -10.609 -25.448 122 HG3 GLU 19 2HG GLU 19 -8.231 -9.079 -25.200 123 H VAL 20 H VAL 20 -6.757 -7.915 -24.819 124 HA VAL 20 HA VAL 20 -7.414 -5.105 -25.413 125 HB VAL 20 HB VAL 20 -8.602 -6.703 -23.143 126 HG11 VAL 20 1HG1 VAL 20 -10.126 -4.423 -23.761 127 HG12 VAL 20 2HG1 VAL 20 -9.150 -4.714 -22.320 128 HG13 VAL 20 3HG1 VAL 20 -8.443 -3.901 -23.717 129 HG21 VAL 20 3HG2 VAL 20 -10.505 -7.095 -24.365 130 HG22 VAL 20 1HG2 VAL 20 -10.217 -5.737 -25.453 131 HG23 VAL 20 2HG2 VAL 20 -9.283 -7.223 -25.630 132 H THR 21 H THR 21 -5.784 -3.893 -24.725 133 HA THR 21 HA THR 21 -4.443 -4.632 -22.206 134 HB THR 21 HB THR 21 -3.241 -2.950 -24.405 135 HG1 THR 21 1HG THR 21 -3.397 -4.941 -25.317 136 HG21 THR 21 3HG2 THR 21 -2.277 -2.658 -22.163 137 HG22 THR 21 1HG2 THR 21 -1.138 -3.433 -23.264 138 HG23 THR 21 2HG2 THR 21 -1.998 -4.396 -22.063 139 H CYS 22 H CYS 22 -3.829 -2.946 -20.779 140 HA CYS 22 HA CYS 22 -5.709 -0.755 -20.741 141 HB2 CYS 22 1HB CYS 22 -5.179 -1.951 -18.669 142 HB3 CYS 22 2HB CYS 22 -3.487 -1.488 -18.821 143 HA PRO 23 HA PRO 23 -2.958 2.048 -22.815 144 HB2 PRO 23 1HB PRO 23 -4.484 4.268 -22.478 145 HB3 PRO 23 2HB PRO 23 -4.855 3.020 -23.673 146 HG2 PRO 23 1HG PRO 23 -6.027 3.444 -20.951 147 HG3 PRO 23 2HG PRO 23 -6.845 3.033 -22.470 148 HD2 PRO 23 1HD PRO 23 -6.279 1.185 -20.573 149 HD3 PRO 23 2HD PRO 23 -6.298 0.800 -22.306 150 H ILE 24 H ILE 24 -3.481 1.765 -19.571 151 HA ILE 24 HA ILE 24 -1.909 4.164 -18.911 152 HB ILE 24 HB ILE 24 -3.758 2.481 -17.233 153 HG12 ILE 24 1HG1 ILE 24 -3.782 5.468 -17.436 154 HG13 ILE 24 2HG1 ILE 24 -4.443 4.514 -18.759 155 HG21 ILE 24 1HG2 ILE 24 -3.110 3.902 -15.321 156 HG22 ILE 24 2HG2 ILE 24 -1.790 2.884 -15.894 157 HG23 ILE 24 3HG2 ILE 24 -1.823 4.599 -16.306 158 HD11 ILE 24 3HD1 ILE 24 -5.411 4.791 -15.955 159 HD12 ILE 24 1HD1 ILE 24 -6.300 4.923 -17.472 160 HD13 ILE 24 2HD1 ILE 24 -5.794 3.340 -16.881 161 H CYS 25 H CYS 25 -2.309 0.924 -17.476 162 HA CYS 25 HA CYS 25 0.472 0.886 -16.695 163 HB2 CYS 25 1HB CYS 25 -0.085 -1.292 -15.675 164 HB3 CYS 25 2HB CYS 25 -1.202 -0.026 -15.175 165 H LEU 26 H LEU 26 -1.147 0.184 -19.498 166 HA LEU 26 HA LEU 26 -0.666 -0.989 -21.388 167 HB2 LEU 26 1HB LEU 26 2.134 -0.925 -20.273 168 HB3 LEU 26 2HB LEU 26 1.688 -1.234 -21.949 169 HG LEU 26 HG LEU 26 1.554 1.357 -20.431 170 HD11 LEU 26 1HD1 LEU 26 2.652 1.694 -22.961 171 HD12 LEU 26 2HD1 LEU 26 3.314 0.165 -22.385 172 HD13 LEU 26 3HD1 LEU 26 3.519 1.632 -21.427 173 HD21 LEU 26 3HD2 LEU 26 0.145 0.553 -22.955 174 HD22 LEU 26 1HD2 LEU 26 0.594 2.229 -22.639 175 HD23 LEU 26 2HD2 LEU 26 -0.502 1.389 -21.542 176 H GLU 27 H GLU 27 -1.366 -2.478 -18.953 177 HA GLU 27 HA GLU 27 -0.002 -5.027 -19.513 178 HB2 GLU 27 1HB GLU 27 -1.554 -4.262 -17.035 179 HB3 GLU 27 2HB GLU 27 -0.636 -5.740 -17.280 180 HG2 GLU 27 1HG GLU 27 1.333 -4.030 -17.686 181 HG3 GLU 27 2HG GLU 27 0.310 -2.991 -16.696 182 H LEU 28 H LEU 28 -1.388 -6.985 -19.218 183 HA LEU 28 HA LEU 28 -3.510 -7.012 -20.989 184 HB2 LEU 28 1HB LEU 28 -2.496 -9.064 -20.484 185 HB3 LEU 28 2HB LEU 28 -2.732 -8.850 -18.750 186 HG LEU 28 HG LEU 28 -5.091 -9.299 -18.969 187 HD11 LEU 28 1HD1 LEU 28 -4.940 -8.311 -21.456 188 HD12 LEU 28 2HD1 LEU 28 -6.261 -9.338 -20.899 189 HD13 LEU 28 3HD1 LEU 28 -4.930 -10.036 -21.822 190 HD21 LEU 28 3HD2 LEU 28 -3.939 -11.287 -18.635 191 HD22 LEU 28 1HD2 LEU 28 -3.199 -11.245 -20.236 192 HD23 LEU 28 2HD2 LEU 28 -4.912 -11.631 -20.066 193 H LEU 29 H LEU 29 -5.602 -6.489 -20.889 194 HA LEU 29 HA LEU 29 -6.672 -5.600 -18.309 195 HB2 LEU 29 1HB LEU 29 -7.191 -4.909 -21.146 196 HB3 LEU 29 2HB LEU 29 -8.545 -4.798 -20.023 197 HG LEU 29 HG LEU 29 -5.950 -3.267 -19.918 198 HD11 LEU 29 1HD1 LEU 29 -7.406 -2.277 -21.483 199 HD12 LEU 29 2HD1 LEU 29 -7.588 -1.339 -20.001 200 HD13 LEU 29 3HD1 LEU 29 -8.814 -2.526 -20.449 201 HD21 LEU 29 3HD2 LEU 29 -6.308 -3.546 -17.675 202 HD22 LEU 29 1HD2 LEU 29 -8.052 -3.730 -17.862 203 HD23 LEU 29 2HD2 LEU 29 -7.318 -2.131 -17.977 204 H THR 30 H THR 30 -7.325 -7.517 -17.379 205 HA THR 30 HA THR 30 -8.858 -9.481 -18.770 206 HB THR 30 HB THR 30 -8.667 -9.133 -15.776 207 HG1 THR 30 1HG THR 30 -6.767 -10.218 -15.859 208 HG21 THR 30 3HG2 THR 30 -9.009 -11.656 -17.387 209 HG22 THR 30 1HG2 THR 30 -10.367 -10.731 -16.748 210 HG23 THR 30 2HG2 THR 30 -9.192 -11.448 -15.646 211 H GLN 31 H GLN 31 -9.838 -7.642 -15.882 212 HA GLN 31 HA GLN 31 -12.550 -7.493 -17.019 213 HB2 GLN 31 1HB GLN 31 -11.535 -7.948 -14.261 214 HB3 GLN 31 2HB GLN 31 -13.022 -7.024 -14.434 215 HG2 GLN 31 1HG GLN 31 -14.130 -8.823 -15.490 216 HG3 GLN 31 2HG GLN 31 -12.624 -9.714 -15.705 217 HE21 GLN 31 1HE2 GLN 31 -14.121 -11.345 -14.665 218 HE22 GLN 31 2HE2 GLN 31 -14.073 -11.446 -12.941 219 HA PRO 32 HA PRO 32 -10.803 -3.158 -16.664 220 HB2 PRO 32 1HB PRO 32 -11.293 -2.456 -19.240 221 HB3 PRO 32 2HB PRO 32 -9.792 -3.235 -18.726 222 HG2 PRO 32 1HG PRO 32 -12.210 -4.444 -20.012 223 HG3 PRO 32 2HG PRO 32 -10.495 -4.742 -20.351 224 HD2 PRO 32 1HD PRO 32 -11.995 -6.418 -18.844 225 HD3 PRO 32 2HD PRO 32 -10.260 -6.172 -18.559 226 H LEU 33 H LEU 33 -11.989 -1.114 -17.136 227 HA LEU 33 HA LEU 33 -14.862 -1.537 -16.754 228 HB2 LEU 33 1HB LEU 33 -13.312 1.016 -16.388 229 HB3 LEU 33 2HB LEU 33 -14.938 0.654 -15.814 230 HG LEU 33 HG LEU 33 -12.351 -0.502 -14.781 231 HD11 LEU 33 1HD1 LEU 33 -12.438 1.459 -13.668 232 HD12 LEU 33 2HD1 LEU 33 -13.589 0.580 -12.662 233 HD13 LEU 33 3HD1 LEU 33 -14.171 1.659 -13.930 234 HD21 LEU 33 3HD2 LEU 33 -15.039 -1.543 -14.695 235 HD22 LEU 33 1HD2 LEU 33 -14.446 -1.181 -13.074 236 HD23 LEU 33 2HD2 LEU 33 -13.534 -2.265 -14.125 237 H SER 34 H SER 34 -16.272 0.268 -17.680 238 HA SER 34 HA SER 34 -15.398 0.853 -20.434 239 HB2 SER 34 1HB SER 34 -17.203 -0.865 -20.282 240 HB3 SER 34 2HB SER 34 -18.233 0.337 -19.505 241 HG SER 34 HG SER 34 -18.297 1.496 -21.366 242 H LEU 35 H LEU 35 -16.784 2.673 -21.418 243 HA LEU 35 HA LEU 35 -17.627 4.696 -19.517 244 HB2 LEU 35 1HB LEU 35 -15.412 5.268 -21.478 245 HB3 LEU 35 2HB LEU 35 -16.128 6.403 -20.336 246 HG LEU 35 HG LEU 35 -14.740 3.938 -19.352 247 HD11 LEU 35 1HD1 LEU 35 -12.681 5.323 -19.155 248 HD12 LEU 35 2HD1 LEU 35 -13.447 6.526 -20.192 249 HD13 LEU 35 3HD1 LEU 35 -13.115 4.909 -20.814 250 HD21 LEU 35 3HD2 LEU 35 -15.422 4.844 -17.436 251 HD22 LEU 35 1HD2 LEU 35 -15.902 6.344 -18.231 252 HD23 LEU 35 2HD2 LEU 35 -14.231 6.115 -17.716 253 H ASP 36 H ASP 36 -18.046 6.833 -20.954 254 HA ASP 36 HA ASP 36 -20.111 6.068 -22.772 255 HB2 ASP 36 1HB ASP 36 -20.127 8.102 -21.253 256 HB3 ASP 36 2HB ASP 36 -19.001 8.849 -22.384 257 H CYS 37 H CYS 37 -16.790 6.520 -23.112 258 HA CYS 37 HA CYS 37 -16.992 7.231 -25.948 259 HB2 CYS 37 1HB CYS 37 -14.668 7.755 -25.873 260 HB3 CYS 37 2HB CYS 37 -15.383 8.438 -24.416 261 H GLY 38 H GLY 38 -16.223 4.604 -23.812 262 HA2 GLY 38 1HA GLY 38 -16.514 2.359 -24.759 263 HA3 GLY 38 2HA GLY 38 -15.645 2.929 -26.176 264 H HIS 39 H HIS 39 -13.451 4.122 -25.230 265 HA HIS 39 HA HIS 39 -11.568 2.273 -24.858 266 HB2 HIS 39 1HB HIS 39 -11.696 4.953 -23.464 267 HB3 HIS 39 2HB HIS 39 -10.247 3.956 -23.543 268 HD2 HIS 39 2HD HIS 39 -9.773 3.316 -26.530 269 HE1 HIS 39 1HE HIS 39 -10.810 7.328 -27.439 270 HE2 HIS 39 2HE HIS 39 -9.776 5.200 -28.303 271 H SER 40 H SER 40 -10.805 0.909 -23.333 272 HA SER 40 HA SER 40 -12.328 0.750 -20.828 273 HB2 SER 40 1HB SER 40 -10.466 -1.425 -21.666 274 HB3 SER 40 2HB SER 40 -12.024 -1.531 -20.846 275 HG SER 40 HG SER 40 -12.698 -0.593 -23.097 276 H PHE 41 H PHE 41 -11.100 -0.002 -18.894 277 HA PHE 41 HA PHE 41 -8.274 0.504 -18.798 278 HB2 PHE 41 1HB PHE 41 -10.113 2.378 -17.294 279 HB3 PHE 41 2HB PHE 41 -8.353 2.377 -17.241 280 HD1 PHE 41 2HD PHE 41 -11.268 2.970 -19.436 281 HD2 PHE 41 1HD PHE 41 -7.089 3.530 -18.849 282 HE1 PHE 41 2HE PHE 41 -11.217 4.543 -21.327 283 HE2 PHE 41 1HE PHE 41 -7.032 5.105 -20.739 284 HZ PHE 41 HZ PHE 41 -9.097 5.612 -21.981 285 H CYS 42 H CYS 42 -7.682 0.671 -16.264 286 HA CYS 42 HA CYS 42 -8.817 -1.757 -15.123 287 HB2 CYS 42 1HB CYS 42 -6.431 -0.088 -14.303 288 HB3 CYS 42 2HB CYS 42 -6.929 -1.580 -13.511 289 H GLN 43 H GLN 43 -9.895 -1.873 -13.200 290 HA GLN 43 HA GLN 43 -11.479 0.225 -12.363 291 HB2 GLN 43 1HB GLN 43 -12.101 -1.970 -11.722 292 HB3 GLN 43 2HB GLN 43 -10.559 -2.257 -10.926 293 HG2 GLN 43 1HG GLN 43 -12.106 -1.943 -9.199 294 HG3 GLN 43 2HG GLN 43 -11.211 -0.429 -9.304 295 HE21 GLN 43 1HE2 GLN 43 -12.233 1.405 -10.117 296 HE22 GLN 43 2HE2 GLN 43 -13.952 1.515 -10.244 297 H ALA 44 H ALA 44 -8.174 -0.381 -11.659 298 HA ALA 44 HA ALA 44 -8.178 1.485 -9.402 299 HB1 ALA 44 3HB ALA 44 -5.592 0.396 -10.171 300 HB2 ALA 44 1HB ALA 44 -6.417 0.367 -8.612 301 HB3 ALA 44 2HB ALA 44 -6.791 -0.852 -9.830 302 H CYS 45 H CYS 45 -6.375 0.962 -12.436 303 HA CYS 45 HA CYS 45 -4.885 3.259 -12.509 304 HB2 CYS 45 1HB CYS 45 -6.251 1.840 -14.803 305 HB3 CYS 45 2HB CYS 45 -5.016 3.079 -15.005 306 H LEU 46 H LEU 46 -8.295 2.874 -13.257 307 HA LEU 46 HA LEU 46 -8.676 5.459 -14.370 308 HB2 LEU 46 1HB LEU 46 -10.400 3.250 -13.424 309 HB3 LEU 46 2HB LEU 46 -11.129 4.853 -13.481 310 HG LEU 46 HG LEU 46 -9.734 3.732 -15.883 311 HD11 LEU 46 1HD1 LEU 46 -12.475 3.058 -14.872 312 HD12 LEU 46 2HD1 LEU 46 -11.217 1.976 -15.467 313 HD13 LEU 46 3HD1 LEU 46 -12.086 3.020 -16.592 314 HD21 LEU 46 3HD2 LEU 46 -12.114 5.561 -15.672 315 HD22 LEU 46 1HD2 LEU 46 -11.095 5.257 -17.079 316 HD23 LEU 46 2HD2 LEU 46 -10.449 6.142 -15.698 317 H THR 47 H THR 47 -9.104 4.120 -11.119 318 HA THR 47 HA THR 47 -10.175 6.456 -9.947 319 HB THR 47 HB THR 47 -8.655 4.182 -8.658 320 HG1 THR 47 1HG THR 47 -10.486 3.170 -8.914 321 HG21 THR 47 3HG2 THR 47 -10.443 6.239 -7.359 322 HG22 THR 47 1HG2 THR 47 -8.682 6.256 -7.288 323 HG23 THR 47 2HG2 THR 47 -9.582 4.928 -6.555 324 H ALA 48 H ALA 48 -6.866 5.231 -10.238 325 HA ALA 48 HA ALA 48 -5.697 7.350 -8.718 326 HB1 ALA 48 3HB ALA 48 -4.761 4.990 -9.218 327 HB2 ALA 48 1HB ALA 48 -4.173 5.720 -10.711 328 HB3 ALA 48 2HB ALA 48 -3.649 6.356 -9.152 329 H ASN 49 H ASN 49 -6.012 6.668 -12.188 330 HA ASN 49 HA ASN 49 -4.551 8.842 -13.151 331 HB2 ASN 49 1HB ASN 49 -5.367 6.908 -14.514 332 HB3 ASN 49 2HB ASN 49 -6.983 7.605 -14.455 333 HD21 ASN 49 1HD2 ASN 49 -4.352 7.297 -16.327 334 HD22 ASN 49 2HD2 ASN 49 -4.498 8.718 -17.299 335 H HIS 50 H HIS 50 -7.690 8.694 -11.728 336 HA HIS 50 HA HIS 50 -8.610 11.209 -12.781 337 HB2 HIS 50 1HB HIS 50 -9.658 9.503 -10.513 338 HB3 HIS 50 2HB HIS 50 -10.470 10.925 -11.161 339 HD2 HIS 50 2HD HIS 50 -9.496 9.602 -14.326 340 HE1 HIS 50 1HE HIS 50 -12.744 7.076 -13.291 341 HE2 HIS 50 2HE HIS 50 -11.187 7.817 -15.128 342 H LYS 51 H LYS 51 -7.392 10.061 -9.648 343 HA LYS 51 HA LYS 51 -7.588 12.488 -8.267 344 HB2 LYS 51 1HB LYS 51 -5.561 10.278 -7.876 345 HB3 LYS 51 2HB LYS 51 -5.954 11.531 -6.706 346 HG2 LYS 51 1HG LYS 51 -7.935 10.568 -6.128 347 HG3 LYS 51 2HG LYS 51 -8.167 9.829 -7.715 348 HD2 LYS 51 1HD LYS 51 -7.683 7.989 -6.408 349 HD3 LYS 51 2HD LYS 51 -6.089 8.402 -7.042 350 HE2 LYS 51 1HE LYS 51 -5.783 9.781 -4.925 351 HE3 LYS 51 2HE LYS 51 -7.214 8.957 -4.310 352 HZ1 LYS 51 3HZ LYS 51 -5.490 7.656 -3.539 353 HZ2 LYS 51 1HZ LYS 51 -4.565 7.836 -4.944 354 HZ3 LYS 51 2HZ LYS 51 -5.931 6.839 -4.953 355 H LYS 52 H LYS 52 -5.467 11.518 -10.760 356 HA LYS 52 HA LYS 52 -3.232 13.148 -10.123 357 HB2 LYS 52 1HB LYS 52 -2.711 11.495 -11.658 358 HB3 LYS 52 2HB LYS 52 -4.198 11.725 -12.569 359 HG2 LYS 52 1HG LYS 52 -2.169 12.448 -13.779 360 HG3 LYS 52 2HG LYS 52 -3.352 13.738 -13.557 361 HD2 LYS 52 1HD LYS 52 -2.045 14.854 -12.021 362 HD3 LYS 52 2HD LYS 52 -1.173 13.394 -11.546 363 HE2 LYS 52 1HE LYS 52 -0.885 14.843 -14.177 364 HE3 LYS 52 2HE LYS 52 0.244 14.935 -12.825 365 HZ1 LYS 52 3HZ LYS 52 0.475 12.460 -13.058 366 HZ2 LYS 52 1HZ LYS 52 1.120 13.371 -14.330 367 HZ3 LYS 52 2HZ LYS 52 -0.365 12.584 -14.522 368 H SER 53 H SER 53 -5.807 13.584 -12.557 369 HA SER 53 HA SER 53 -5.156 16.112 -13.424 370 HB2 SER 53 1HB SER 53 -7.326 16.260 -14.315 371 HB3 SER 53 2HB SER 53 -7.036 14.523 -14.217 372 HG SER 53 HG SER 53 -8.249 14.476 -12.313 373 H MET 54 H MET 54 -6.967 15.184 -10.544 374 HA MET 54 HA MET 54 -8.107 17.443 -9.651 375 HB2 MET 54 1HB MET 54 -6.365 15.580 -8.030 376 HB3 MET 54 2HB MET 54 -7.454 16.771 -7.333 377 HG2 MET 54 1HG MET 54 -8.234 14.427 -9.051 378 HG3 MET 54 2HG MET 54 -8.464 14.579 -7.310 379 HE1 MET 54 3HE MET 54 -10.060 15.553 -10.880 380 HE2 MET 54 1HE MET 54 -10.263 14.042 -9.992 381 HE3 MET 54 2HE MET 54 -11.614 15.167 -10.138 382 H LEU 55 H LEU 55 -4.649 16.844 -9.795 383 HA LEU 55 HA LEU 55 -4.026 19.361 -8.492 384 HB2 LEU 55 1HB LEU 55 -2.233 17.309 -9.782 385 HB3 LEU 55 2HB LEU 55 -1.686 18.712 -8.865 386 HG LEU 55 HG LEU 55 -3.162 17.598 -6.970 387 HD11 LEU 55 1HD1 LEU 55 -2.602 15.394 -8.911 388 HD12 LEU 55 2HD1 LEU 55 -4.073 15.740 -8.002 389 HD13 LEU 55 3HD1 LEU 55 -2.665 15.067 -7.179 390 HD21 LEU 55 3HD2 LEU 55 -0.410 16.632 -7.742 391 HD22 LEU 55 1HD2 LEU 55 -1.139 16.515 -6.140 392 HD23 LEU 55 2HD2 LEU 55 -0.774 18.097 -6.829 393 H ASP 56 H ASP 56 -3.547 17.888 -11.695 394 HA ASP 56 HA ASP 56 -2.302 19.955 -13.005 395 HB2 ASP 56 1HB ASP 56 -2.977 17.626 -13.878 396 HB3 ASP 56 2HB ASP 56 -4.506 18.381 -14.321 397 H LYS 57 H LYS 57 -5.809 19.387 -13.302 398 HA LYS 57 HA LYS 57 -6.176 22.311 -13.375 399 HB2 LYS 57 1HB LYS 57 -7.817 20.260 -14.871 400 HB3 LYS 57 2HB LYS 57 -7.984 22.008 -14.964 401 HG2 LYS 57 1HG LYS 57 -6.164 22.253 -16.306 402 HG3 LYS 57 2HG LYS 57 -5.344 20.839 -15.641 403 HD2 LYS 57 1HD LYS 57 -6.028 20.424 -17.937 404 HD3 LYS 57 2HD LYS 57 -6.924 19.381 -16.831 405 HE2 LYS 57 1HE LYS 57 -8.042 22.014 -17.729 406 HE3 LYS 57 2HE LYS 57 -8.205 20.570 -18.728 407 HZ1 LYS 57 3HZ LYS 57 -10.130 20.602 -17.456 408 HZ2 LYS 57 1HZ LYS 57 -9.329 21.091 -16.048 409 HZ3 LYS 57 2HZ LYS 57 -9.145 19.510 -16.620 410 H GLY 58 H GLY 58 -7.739 19.205 -12.635 411 HA2 GLY 58 1HA GLY 58 -8.610 19.410 -10.184 412 HA3 GLY 58 2HA GLY 58 -9.661 20.611 -10.919 413 H GLU 59 H GLU 59 -9.989 19.174 -13.411 414 HA GLU 59 HA GLU 59 -11.751 17.022 -12.445 415 HB2 GLU 59 1HB GLU 59 -13.212 17.467 -14.282 416 HB3 GLU 59 2HB GLU 59 -12.847 19.007 -13.517 417 HG2 GLU 59 1HG GLU 59 -12.613 19.579 -15.705 418 HG3 GLU 59 2HG GLU 59 -10.958 19.100 -15.334 419 H SER 60 H SER 60 -11.740 15.038 -13.444 420 HA SER 60 HA SER 60 -9.392 14.491 -15.098 421 HB2 SER 60 1HB SER 60 -9.770 13.117 -13.068 422 HB3 SER 60 2HB SER 60 -11.294 12.554 -13.755 423 HG SER 60 HG SER 60 -8.666 12.071 -14.681 424 H SER 61 H SER 61 -9.676 12.805 -16.833 425 HA SER 61 HA SER 61 -12.217 12.447 -18.057 426 HB2 SER 61 1HB SER 61 -11.727 13.769 -20.128 427 HB3 SER 61 2HB SER 61 -11.996 14.766 -18.698 428 HG SER 61 HG SER 61 -9.929 14.839 -20.283 429 H CYS 62 H CYS 62 -12.131 11.085 -19.895 430 HA CYS 62 HA CYS 62 -10.506 8.979 -19.926 431 HB2 CYS 62 1HB CYS 62 -12.420 9.365 -21.493 432 HB3 CYS 62 2HB CYS 62 -11.347 10.340 -22.492 433 HA PRO 63 HA PRO 63 -6.455 10.765 -20.597 434 HB2 PRO 63 1HB PRO 63 -5.098 8.450 -20.186 435 HB3 PRO 63 2HB PRO 63 -5.738 9.436 -18.865 436 HG2 PRO 63 1HG PRO 63 -6.883 6.967 -20.112 437 HG3 PRO 63 2HG PRO 63 -6.778 7.409 -18.398 438 HD2 PRO 63 1HD PRO 63 -9.054 7.688 -19.837 439 HD3 PRO 63 2HD PRO 63 -8.623 8.785 -18.510 440 H VAL 64 H VAL 64 -8.278 8.855 -22.553 441 HA VAL 64 HA VAL 64 -6.101 8.361 -24.469 442 HB VAL 64 HB VAL 64 -8.895 7.211 -24.456 443 HG11 VAL 64 1HG1 VAL 64 -6.507 6.713 -26.221 444 HG12 VAL 64 2HG1 VAL 64 -7.909 5.644 -26.149 445 HG13 VAL 64 3HG1 VAL 64 -8.096 7.310 -26.697 446 HG21 VAL 64 3HG2 VAL 64 -6.308 5.803 -23.824 447 HG22 VAL 64 1HG2 VAL 64 -7.392 6.455 -22.595 448 HG23 VAL 64 2HG2 VAL 64 -7.948 5.172 -23.669 449 H CYS 65 H CYS 65 -9.487 9.471 -24.365 450 HA CYS 65 HA CYS 65 -8.886 11.200 -26.675 451 HB2 CYS 65 1HB CYS 65 -11.231 10.928 -27.383 452 HB3 CYS 65 2HB CYS 65 -10.376 9.389 -27.354 453 H ARG 66 H ARG 66 -9.645 11.116 -23.454 454 HA ARG 66 HA ARG 66 -10.565 12.580 -21.957 455 HB2 ARG 66 1HB ARG 66 -9.244 14.369 -23.986 456 HB3 ARG 66 2HB ARG 66 -10.004 15.019 -22.539 457 HG2 ARG 66 1HG ARG 66 -7.860 14.819 -21.804 458 HG3 ARG 66 2HG ARG 66 -8.484 13.233 -21.345 459 HD2 ARG 66 1HD ARG 66 -7.311 12.146 -22.976 460 HD3 ARG 66 2HD ARG 66 -7.324 13.536 -24.061 461 HE ARG 66 HE ARG 66 -5.355 12.915 -22.055 462 HH11 ARG 66 1HH1 ARG 66 -6.789 15.422 -24.000 463 HH12 ARG 66 2HH1 ARG 66 -5.404 16.461 -23.914 464 HH21 ARG 66 1HH2 ARG 66 -3.527 14.274 -21.935 465 HH22 ARG 66 2HH2 ARG 66 -3.549 15.806 -22.739 466 H ILE 67 H ILE 67 -12.608 11.607 -23.282 467 HA ILE 67 HA ILE 67 -14.189 13.865 -24.296 468 HB ILE 67 HB ILE 67 -14.519 10.888 -24.581 469 HG12 ILE 67 1HG1 ILE 67 -14.132 13.186 -26.500 470 HG13 ILE 67 2HG1 ILE 67 -13.045 11.833 -26.209 471 HG21 ILE 67 1HG2 ILE 67 -16.640 11.234 -25.657 472 HG22 ILE 67 2HG2 ILE 67 -16.700 11.938 -24.042 473 HG23 ILE 67 3HG2 ILE 67 -16.505 12.980 -25.451 474 HD11 ILE 67 3HD1 ILE 67 -15.791 11.568 -27.406 475 HD12 ILE 67 1HD1 ILE 67 -14.301 11.695 -28.340 476 HD13 ILE 67 2HD1 ILE 67 -14.556 10.316 -27.270 477 H SER 68 H SER 68 -16.236 14.330 -23.470 478 HA SER 68 HA SER 68 -16.644 14.447 -20.815 479 HB2 SER 68 1HB SER 68 -18.519 14.339 -23.123 480 HB3 SER 68 2HB SER 68 -19.216 14.168 -21.512 481 HG SER 68 HG SER 68 -17.420 16.178 -21.560 482 H TYR 69 H TYR 69 -17.388 13.194 -19.168 483 HA TYR 69 HA TYR 69 -18.711 10.707 -19.531 484 HB2 TYR 69 1HB TYR 69 -17.054 9.146 -19.173 485 HB3 TYR 69 2HB TYR 69 -16.165 10.339 -20.113 486 HD1 TYR 69 2HD TYR 69 -15.271 12.346 -18.403 487 HD2 TYR 69 1HD TYR 69 -15.811 8.230 -17.471 488 HE1 TYR 69 2HE TYR 69 -13.615 12.544 -16.595 489 HE2 TYR 69 1HE TYR 69 -14.158 8.417 -15.659 490 HH TYR 69 HH TYR 69 -13.153 10.085 -14.249 491 H GLN 70 H GLN 70 -19.665 10.040 -17.667 492 HA GLN 70 HA GLN 70 -19.213 11.720 -15.312 493 HB2 GLN 70 1HB GLN 70 -21.511 11.549 -16.231 494 HB3 GLN 70 2HB GLN 70 -21.490 9.821 -15.901 495 HG2 GLN 70 1HG GLN 70 -21.261 10.268 -13.519 496 HG3 GLN 70 2HG GLN 70 -21.255 12.001 -13.840 497 HE21 GLN 70 1HE2 GLN 70 -23.084 12.565 -12.795 498 HE22 GLN 70 2HE2 GLN 70 -24.661 12.001 -13.220 499 HA PRO 71 HA PRO 71 -16.998 8.086 -13.783 500 HB2 PRO 71 1HB PRO 71 -15.772 9.422 -11.762 501 HB3 PRO 71 2HB PRO 71 -15.188 9.457 -13.430 502 HG2 PRO 71 1HG PRO 71 -16.838 11.475 -11.959 503 HG3 PRO 71 2HG PRO 71 -15.465 11.735 -13.050 504 HD2 PRO 71 1HD PRO 71 -18.035 12.051 -13.842 505 HD3 PRO 71 2HD PRO 71 -16.760 11.488 -14.941 506 H GLU 72 H GLU 72 -19.132 10.308 -12.142 507 HA GLU 72 HA GLU 72 -19.321 9.238 -9.617 508 HB2 GLU 72 1HB GLU 72 -21.350 10.520 -11.418 509 HB3 GLU 72 2HB GLU 72 -21.828 9.909 -9.841 510 HG2 GLU 72 1HG GLU 72 -19.545 11.823 -10.171 511 HG3 GLU 72 2HG GLU 72 -21.214 12.370 -10.019 512 H ASN 73 H ASN 73 -20.977 8.153 -12.559 513 HA ASN 73 HA ASN 73 -21.595 5.630 -11.172 514 HB2 ASN 73 1HB ASN 73 -23.316 6.744 -13.376 515 HB3 ASN 73 2HB ASN 73 -23.712 5.495 -12.199 516 HD21 ASN 73 1HD2 ASN 73 -23.682 8.836 -12.897 517 HD22 ASN 73 2HD2 ASN 73 -24.376 9.386 -11.413 518 H ILE 74 H ILE 74 -19.662 4.730 -12.006 519 HA ILE 74 HA ILE 74 -19.600 4.358 -14.923 520 HB ILE 74 HB ILE 74 -17.405 3.990 -12.882 521 HG12 ILE 74 1HG1 ILE 74 -18.190 6.347 -13.648 522 HG13 ILE 74 2HG1 ILE 74 -16.468 5.979 -13.662 523 HG21 ILE 74 1HG2 ILE 74 -17.699 3.028 -15.616 524 HG22 ILE 74 2HG2 ILE 74 -16.234 3.977 -15.366 525 HG23 ILE 74 3HG2 ILE 74 -16.546 2.558 -14.366 526 HD11 ILE 74 3HD1 ILE 74 -17.971 6.990 -15.750 527 HD12 ILE 74 1HD1 ILE 74 -16.334 6.341 -15.842 528 HD13 ILE 74 2HD1 ILE 74 -17.717 5.297 -16.173 529 H ARG 75 H ARG 75 -19.470 2.321 -15.824 530 HA ARG 75 HA ARG 75 -19.493 -0.003 -14.062 531 HB2 ARG 75 1HB ARG 75 -21.519 -0.917 -14.955 532 HB3 ARG 75 2HB ARG 75 -21.869 0.712 -14.394 533 HG2 ARG 75 1HG ARG 75 -21.327 1.298 -16.919 534 HG3 ARG 75 2HG ARG 75 -21.821 -0.381 -17.146 535 HD2 ARG 75 1HD ARG 75 -23.925 0.102 -15.965 536 HD3 ARG 75 2HD ARG 75 -23.429 1.786 -15.799 537 HE ARG 75 HE ARG 75 -23.979 2.138 -18.001 538 HH11 ARG 75 1HH1 ARG 75 -23.917 -1.280 -17.346 539 HH12 ARG 75 2HH1 ARG 75 -24.622 -1.717 -18.867 540 HH21 ARG 75 1HH2 ARG 75 -24.907 1.576 -20.007 541 HH22 ARG 75 2HH2 ARG 75 -25.183 -0.091 -20.381 542 HA PRO 76 HA PRO 76 -17.011 -1.680 -17.288 543 HB2 PRO 76 1HB PRO 76 -17.281 -4.318 -16.710 544 HB3 PRO 76 2HB PRO 76 -16.300 -3.217 -15.736 545 HG2 PRO 76 1HG PRO 76 -19.083 -4.209 -15.250 546 HG3 PRO 76 2HG PRO 76 -17.743 -4.028 -14.102 547 HD2 PRO 76 1HD PRO 76 -19.754 -2.224 -14.291 548 HD3 PRO 76 2HD PRO 76 -18.095 -1.764 -13.854 549 H ASN 77 H ASN 77 -17.114 -3.051 -19.178 550 HA ASN 77 HA ASN 77 -19.416 -2.772 -20.689 551 HB2 ASN 77 1HB ASN 77 -18.309 -3.918 -22.362 552 HB3 ASN 77 2HB ASN 77 -16.953 -3.438 -21.345 553 HD21 ASN 77 1HD2 ASN 77 -16.463 -5.078 -19.564 554 HD22 ASN 77 2HD2 ASN 77 -16.434 -6.734 -20.056 555 H ARG 78 H ARG 78 -18.243 -5.703 -19.037 556 HA ARG 78 HA ARG 78 -20.514 -7.270 -19.696 557 HB2 ARG 78 1HB ARG 78 -18.186 -8.064 -18.963 558 HB3 ARG 78 2HB ARG 78 -18.727 -7.746 -17.320 559 HG2 ARG 78 1HG ARG 78 -19.143 -10.006 -17.595 560 HG3 ARG 78 2HG ARG 78 -20.715 -9.267 -17.904 561 HD2 ARG 78 1HD ARG 78 -18.779 -9.885 -20.115 562 HD3 ARG 78 2HD ARG 78 -19.928 -11.082 -19.519 563 HE ARG 78 HE ARG 78 -21.492 -8.944 -20.057 564 HH11 ARG 78 1HH1 ARG 78 -19.106 -10.684 -21.902 565 HH12 ARG 78 2HH1 ARG 78 -19.864 -10.366 -23.427 566 HH21 ARG 78 1HH2 ARG 78 -22.499 -8.518 -22.059 567 HH22 ARG 78 2HH2 ARG 78 -21.793 -9.133 -23.516 568 H HIS 79 H HIS 79 -22.468 -7.353 -18.798 569 HA HIS 79 HA HIS 79 -22.936 -5.798 -16.354 570 HB2 HIS 79 1HB HIS 79 -24.260 -5.201 -18.362 571 HB3 HIS 79 2HB HIS 79 -24.937 -6.826 -18.378 572 HD2 HIS 79 2HD HIS 79 -26.848 -7.342 -16.367 573 HE1 HIS 79 1HE HIS 79 -27.169 -3.301 -15.116 574 HE2 HIS 79 2HE HIS 79 -28.108 -5.628 -14.896 575 H VAL 80 H VAL 80 -22.417 -7.228 -14.739 576 HA VAL 80 HA VAL 80 -24.093 -9.648 -14.581 577 HB VAL 80 HB VAL 80 -22.296 -10.730 -13.286 578 HG11 VAL 80 1HG1 VAL 80 -20.887 -9.942 -15.759 579 HG12 VAL 80 2HG1 VAL 80 -21.289 -11.545 -15.141 580 HG13 VAL 80 3HG1 VAL 80 -22.520 -10.578 -15.956 581 HG21 VAL 80 3HG2 VAL 80 -20.363 -9.730 -12.683 582 HG22 VAL 80 1HG2 VAL 80 -20.258 -8.797 -14.175 583 HG23 VAL 80 2HG2 VAL 80 -21.311 -8.254 -12.868 584 H ALA 81 H ALA 81 -24.095 -10.466 -12.189 585 HA ALA 81 HA ALA 81 -24.526 -8.142 -10.427 586 HB1 ALA 81 3HB ALA 81 -26.561 -9.539 -11.342 587 HB2 ALA 81 1HB ALA 81 -26.108 -10.631 -10.034 588 HB3 ALA 81 2HB ALA 81 -26.529 -8.955 -9.679 589 H ASN 82 H ASN 82 -22.489 -8.334 -9.463 590 HA ASN 82 HA ASN 82 -22.220 -10.651 -7.670 591 HB2 ASN 82 1HB ASN 82 -20.616 -10.899 -9.507 592 HB3 ASN 82 2HB ASN 82 -19.980 -9.289 -9.182 593 HD21 ASN 82 1HD2 ASN 82 -17.954 -10.503 -9.022 594 HD22 ASN 82 2HD2 ASN 82 -17.532 -11.205 -7.501 595 H ILE 83 H ILE 83 -22.628 -9.844 -5.712 596 HA ILE 83 HA ILE 83 -22.180 -7.148 -4.964 597 HB ILE 83 HB ILE 83 -22.597 -9.544 -3.173 598 HG12 ILE 83 1HG1 ILE 83 -24.398 -9.187 -4.860 599 HG13 ILE 83 2HG1 ILE 83 -24.948 -8.973 -3.201 600 HG21 ILE 83 1HG2 ILE 83 -22.415 -6.627 -2.688 601 HG22 ILE 83 2HG2 ILE 83 -23.637 -7.525 -1.790 602 HG23 ILE 83 3HG2 ILE 83 -21.939 -7.980 -1.662 603 HD11 ILE 83 3HD1 ILE 83 -24.049 -6.472 -4.282 604 HD12 ILE 83 1HD1 ILE 83 -25.254 -7.210 -5.338 605 HD13 ILE 83 2HD1 ILE 83 -25.630 -6.917 -3.640 606 H VAL 84 H VAL 84 -20.335 -6.193 -4.450 607 HA VAL 84 HA VAL 84 -17.867 -7.508 -4.284 608 HB VAL 84 HB VAL 84 -18.611 -4.772 -3.240 609 HG11 VAL 84 1HG1 VAL 84 -15.871 -5.149 -4.109 610 HG12 VAL 84 2HG1 VAL 84 -16.495 -4.457 -2.611 611 HG13 VAL 84 3HG1 VAL 84 -16.290 -6.203 -2.759 612 HG21 VAL 84 3HG2 VAL 84 -19.065 -5.023 -5.618 613 HG22 VAL 84 1HG2 VAL 84 -17.678 -3.964 -5.361 614 HG23 VAL 84 2HG2 VAL 84 -17.431 -5.631 -5.881 615 H GLU 85 H GLU 85 -17.661 -9.083 -2.771 616 HA GLU 85 HA GLU 85 -17.713 -8.213 0.029 617 HB2 GLU 85 1HB GLU 85 -18.825 -10.215 0.756 618 HB3 GLU 85 2HB GLU 85 -19.812 -9.457 -0.485 619 HG2 GLU 85 1HG GLU 85 -18.935 -11.041 -2.137 620 HG3 GLU 85 2HG GLU 85 -17.983 -11.815 -0.872 Start of MODEL 4 1 H1 GLY 1 H GLY 1 23.260 -29.722 -9.036 2 HA2 GLY 1 1HA GLY 1 25.415 -28.475 -7.726 3 HA3 GLY 1 2HA GLY 1 25.478 -30.199 -7.387 4 H SER 2 H SER 2 24.671 -28.295 -10.290 5 HA SER 2 HA SER 2 27.017 -28.947 -11.705 6 HB2 SER 2 1HB SER 2 25.770 -31.213 -11.535 7 HB3 SER 2 2HB SER 2 24.665 -30.525 -12.725 8 HG SER 2 HG SER 2 26.140 -31.377 -14.012 9 H SER 3 H SER 3 26.669 -28.575 -14.151 10 HA SER 3 HA SER 3 24.460 -26.744 -14.697 11 HB2 SER 3 1HB SER 3 26.087 -25.176 -13.967 12 HB3 SER 3 2HB SER 3 27.383 -26.006 -14.828 13 HG SER 3 HG SER 3 25.178 -24.893 -16.194 14 H GLY 4 H GLY 4 23.712 -26.902 -16.734 15 HA2 GLY 4 1HA GLY 4 25.355 -27.695 -18.942 16 HA3 GLY 4 2HA GLY 4 24.315 -29.002 -18.397 17 H SER 5 H SER 5 24.529 -26.146 -20.236 18 HA SER 5 HA SER 5 21.993 -26.562 -21.435 19 HB2 SER 5 1HB SER 5 21.493 -25.397 -19.158 20 HB3 SER 5 2HB SER 5 22.114 -23.950 -19.952 21 HG SER 5 HG SER 5 20.467 -24.967 -21.668 22 H SER 6 H SER 6 21.626 -25.184 -23.238 23 HA SER 6 HA SER 6 23.822 -23.362 -23.925 24 HB2 SER 6 1HB SER 6 24.068 -24.310 -26.127 25 HB3 SER 6 2HB SER 6 24.225 -25.618 -24.955 26 HG SER 6 HG SER 6 22.791 -25.932 -26.873 27 H GLY 7 H GLY 7 23.296 -21.857 -25.650 28 HA2 GLY 7 1HA GLY 7 21.776 -20.715 -27.051 29 HA3 GLY 7 2HA GLY 7 20.457 -21.611 -26.311 30 H MET 8 H MET 8 19.128 -20.288 -25.280 31 HA MET 8 HA MET 8 20.290 -18.202 -23.565 32 HB2 MET 8 1HB MET 8 18.471 -16.675 -24.209 33 HB3 MET 8 2HB MET 8 19.477 -17.109 -25.584 34 HG2 MET 8 1HG MET 8 16.966 -18.621 -25.017 35 HG3 MET 8 2HG MET 8 16.908 -17.064 -25.840 36 HE1 MET 8 3HE MET 8 15.603 -18.691 -27.717 37 HE2 MET 8 1HE MET 8 16.426 -17.225 -28.252 38 HE3 MET 8 2HE MET 8 16.602 -18.721 -29.171 39 H ALA 9 H ALA 9 19.179 -17.759 -21.662 40 HA ALA 9 HA ALA 9 17.438 -19.896 -20.757 41 HB1 ALA 9 3HB ALA 9 19.403 -18.448 -19.526 42 HB2 ALA 9 1HB ALA 9 17.935 -17.701 -18.893 43 HB3 ALA 9 2HB ALA 9 18.196 -19.435 -18.702 44 H SER 10 H SER 10 16.279 -18.250 -22.731 45 HA SER 10 HA SER 10 14.363 -16.594 -21.250 46 HB2 SER 10 1HB SER 10 15.130 -16.736 -24.162 47 HB3 SER 10 2HB SER 10 13.681 -15.887 -23.622 48 HG SER 10 HG SER 10 15.827 -14.713 -23.812 49 H GLY 11 H GLY 11 14.066 -19.317 -20.884 50 HA2 GLY 11 1HA GLY 11 12.577 -20.895 -22.454 51 HA3 GLY 11 2HA GLY 11 12.218 -20.718 -20.743 52 H ILE 12 H ILE 12 11.372 -17.982 -20.876 53 HA ILE 12 HA ILE 12 8.715 -18.073 -21.032 54 HB ILE 12 HB ILE 12 10.400 -15.812 -22.110 55 HG12 ILE 12 1HG1 ILE 12 9.024 -15.851 -19.448 56 HG13 ILE 12 2HG1 ILE 12 10.557 -16.695 -19.643 57 HG21 ILE 12 1HG2 ILE 12 8.206 -14.564 -21.286 58 HG22 ILE 12 2HG2 ILE 12 8.376 -15.177 -22.930 59 HG23 ILE 12 3HG2 ILE 12 7.474 -16.105 -21.732 60 HD11 ILE 12 3HD1 ILE 12 10.559 -14.272 -18.786 61 HD12 ILE 12 1HD1 ILE 12 11.728 -14.737 -20.022 62 HD13 ILE 12 2HD1 ILE 12 10.278 -13.839 -20.472 63 H LEU 13 H LEU 13 7.133 -18.358 -22.482 64 HA LEU 13 HA LEU 13 7.866 -18.965 -25.218 65 HB2 LEU 13 1HB LEU 13 5.338 -19.205 -23.621 66 HB3 LEU 13 2HB LEU 13 5.347 -19.438 -25.368 67 HG LEU 13 HG LEU 13 5.412 -21.564 -24.161 68 HD11 LEU 13 1HD1 LEU 13 7.990 -21.971 -25.148 69 HD12 LEU 13 2HD1 LEU 13 7.307 -20.682 -26.138 70 HD13 LEU 13 3HD1 LEU 13 6.465 -22.225 -25.997 71 HD21 LEU 13 3HD2 LEU 13 8.013 -20.517 -23.051 72 HD22 LEU 13 1HD2 LEU 13 7.445 -22.181 -22.906 73 HD23 LEU 13 2HD2 LEU 13 6.544 -20.871 -22.142 74 H VAL 14 H VAL 14 7.733 -17.588 -26.858 75 HA VAL 14 HA VAL 14 6.832 -14.913 -26.496 76 HB VAL 14 HB VAL 14 8.651 -15.418 -28.037 77 HG11 VAL 14 1HG1 VAL 14 7.583 -17.623 -28.764 78 HG12 VAL 14 2HG1 VAL 14 6.665 -16.654 -29.919 79 HG13 VAL 14 3HG1 VAL 14 8.428 -16.684 -29.995 80 HG21 VAL 14 3HG2 VAL 14 6.189 -14.053 -28.968 81 HG22 VAL 14 1HG2 VAL 14 7.808 -13.409 -28.690 82 HG23 VAL 14 2HG2 VAL 14 7.464 -14.328 -30.156 83 H ASN 15 H ASN 15 4.749 -14.403 -26.335 84 HA ASN 15 HA ASN 15 2.825 -15.785 -28.086 85 HB2 ASN 15 1HB ASN 15 2.691 -15.791 -25.432 86 HB3 ASN 15 2HB ASN 15 1.912 -14.235 -25.705 87 HD21 ASN 15 1HD2 ASN 15 -0.143 -14.705 -25.215 88 HD22 ASN 15 2HD2 ASN 15 -1.099 -15.898 -26.021 89 H VAL 16 H VAL 16 0.734 -14.244 -28.233 90 HA VAL 16 HA VAL 16 1.723 -11.822 -29.538 91 HB VAL 16 HB VAL 16 0.333 -12.794 -31.066 92 HG11 VAL 16 1HG1 VAL 16 -1.068 -13.921 -28.690 93 HG12 VAL 16 2HG1 VAL 16 -1.923 -13.846 -30.232 94 HG13 VAL 16 3HG1 VAL 16 -0.408 -14.742 -30.104 95 HG21 VAL 16 3HG2 VAL 16 -1.837 -11.664 -31.084 96 HG22 VAL 16 1HG2 VAL 16 -1.631 -11.237 -29.385 97 HG23 VAL 16 2HG2 VAL 16 -0.547 -10.562 -30.602 98 H LYS 17 H LYS 17 1.005 -9.771 -29.050 99 HA LYS 17 HA LYS 17 0.533 -9.067 -26.443 100 HB2 LYS 17 1HB LYS 17 -0.044 -7.696 -29.044 101 HB3 LYS 17 2HB LYS 17 -0.567 -6.956 -27.536 102 HG2 LYS 17 1HG LYS 17 1.459 -5.979 -27.672 103 HG3 LYS 17 2HG LYS 17 1.973 -7.476 -26.892 104 HD2 LYS 17 1HD LYS 17 2.127 -8.280 -29.424 105 HD3 LYS 17 2HD LYS 17 2.363 -6.550 -29.686 106 HE2 LYS 17 1HE LYS 17 4.327 -6.504 -28.457 107 HE3 LYS 17 2HE LYS 17 3.928 -7.976 -27.574 108 HZ1 LYS 17 3HZ LYS 17 4.193 -9.174 -29.737 109 HZ2 LYS 17 1HZ LYS 17 5.621 -8.519 -29.109 110 HZ3 LYS 17 2HZ LYS 17 4.828 -7.748 -30.389 111 H GLU 18 H GLU 18 -1.189 -8.892 -25.113 112 HA GLU 18 HA GLU 18 -3.476 -10.386 -25.480 113 HB2 GLU 18 1HB GLU 18 -3.248 -7.904 -23.769 114 HB3 GLU 18 2HB GLU 18 -4.413 -9.206 -23.569 115 HG2 GLU 18 1HG GLU 18 -1.435 -9.545 -23.324 116 HG3 GLU 18 2HG GLU 18 -2.525 -9.274 -21.966 117 H GLU 19 H GLU 19 -5.595 -9.949 -26.073 118 HA GLU 19 HA GLU 19 -6.048 -8.348 -28.266 119 HB2 GLU 19 1HB GLU 19 -8.469 -8.593 -27.754 120 HB3 GLU 19 2HB GLU 19 -7.584 -10.110 -27.681 121 HG2 GLU 19 1HG GLU 19 -7.417 -9.660 -25.162 122 HG3 GLU 19 2HG GLU 19 -8.694 -8.476 -25.435 123 H VAL 20 H VAL 20 -7.055 -7.623 -24.921 124 HA VAL 20 HA VAL 20 -7.218 -4.782 -25.675 125 HB VAL 20 HB VAL 20 -8.438 -6.030 -23.217 126 HG11 VAL 20 1HG1 VAL 20 -9.448 -4.025 -22.841 127 HG12 VAL 20 2HG1 VAL 20 -7.997 -3.450 -23.664 128 HG13 VAL 20 3HG1 VAL 20 -9.512 -3.609 -24.554 129 HG21 VAL 20 3HG2 VAL 20 -10.443 -5.405 -25.102 130 HG22 VAL 20 1HG2 VAL 20 -9.232 -6.378 -25.938 131 HG23 VAL 20 2HG2 VAL 20 -9.999 -6.991 -24.473 132 H THR 21 H THR 21 -5.811 -3.390 -24.832 133 HA THR 21 HA THR 21 -4.254 -4.228 -22.473 134 HB THR 21 HB THR 21 -3.228 -2.487 -24.720 135 HG1 THR 21 1HG THR 21 -1.882 -4.555 -24.951 136 HG21 THR 21 3HG2 THR 21 -1.044 -3.441 -23.495 137 HG22 THR 21 1HG2 THR 21 -2.152 -3.421 -22.124 138 HG23 THR 21 2HG2 THR 21 -1.827 -1.935 -23.017 139 H CYS 22 H CYS 22 -3.680 -2.627 -20.977 140 HA CYS 22 HA CYS 22 -5.548 -0.430 -20.828 141 HB2 CYS 22 1HB CYS 22 -4.998 -1.750 -18.824 142 HB3 CYS 22 2HB CYS 22 -3.319 -1.235 -18.947 143 HA PRO 23 HA PRO 23 -2.784 2.451 -22.772 144 HB2 PRO 23 1HB PRO 23 -4.294 4.663 -22.325 145 HB3 PRO 23 2HB PRO 23 -4.676 3.475 -23.578 146 HG2 PRO 23 1HG PRO 23 -5.839 3.777 -20.836 147 HG3 PRO 23 2HG PRO 23 -6.663 3.444 -22.370 148 HD2 PRO 23 1HD PRO 23 -6.105 1.504 -20.566 149 HD3 PRO 23 2HD PRO 23 -6.131 1.202 -22.315 150 H ILE 24 H ILE 24 -3.404 2.092 -19.519 151 HA ILE 24 HA ILE 24 -1.813 4.435 -18.747 152 HB ILE 24 HB ILE 24 -3.655 2.635 -17.200 153 HG12 ILE 24 1HG1 ILE 24 -3.584 5.623 -17.067 154 HG13 ILE 24 2HG1 ILE 24 -4.261 4.852 -18.497 155 HG21 ILE 24 1HG2 ILE 24 -1.702 2.808 -15.816 156 HG22 ILE 24 2HG2 ILE 24 -1.614 4.549 -16.082 157 HG23 ILE 24 3HG2 ILE 24 -2.951 3.865 -15.158 158 HD11 ILE 24 3HD1 ILE 24 -5.619 3.494 -16.699 159 HD12 ILE 24 1HD1 ILE 24 -5.273 4.913 -15.711 160 HD13 ILE 24 2HD1 ILE 24 -6.138 5.091 -17.238 161 H CYS 25 H CYS 25 -2.119 1.153 -17.400 162 HA CYS 25 HA CYS 25 0.651 1.117 -16.654 163 HB2 CYS 25 1HB CYS 25 0.139 -1.213 -15.902 164 HB3 CYS 25 2HB CYS 25 -0.926 0.008 -15.213 165 H LEU 26 H LEU 26 -1.126 0.238 -19.433 166 HA LEU 26 HA LEU 26 -0.606 -0.850 -21.364 167 HB2 LEU 26 1HB LEU 26 2.263 -0.298 -20.667 168 HB3 LEU 26 2HB LEU 26 1.537 -0.435 -22.267 169 HG LEU 26 HG LEU 26 0.993 1.811 -20.328 170 HD11 LEU 26 1HD1 LEU 26 3.364 1.605 -21.278 171 HD12 LEU 26 2HD1 LEU 26 2.521 3.140 -21.486 172 HD13 LEU 26 3HD1 LEU 26 2.632 2.006 -22.832 173 HD21 LEU 26 3HD2 LEU 26 -0.733 2.210 -21.672 174 HD22 LEU 26 1HD2 LEU 26 -0.227 0.955 -22.803 175 HD23 LEU 26 2HD2 LEU 26 0.435 2.584 -22.941 176 H GLU 27 H GLU 27 -0.918 -2.530 -19.135 177 HA GLU 27 HA GLU 27 1.126 -4.600 -19.570 178 HB2 GLU 27 1HB GLU 27 -0.755 -4.075 -17.274 179 HB3 GLU 27 2HB GLU 27 0.096 -5.603 -17.455 180 HG2 GLU 27 1HG GLU 27 1.685 -3.099 -17.546 181 HG3 GLU 27 2HG GLU 27 1.057 -3.636 -15.990 182 H LEU 28 H LEU 28 -2.302 -4.657 -18.601 183 HA LEU 28 HA LEU 28 -3.197 -5.981 -20.939 184 HB2 LEU 28 1HB LEU 28 -2.147 -7.935 -20.275 185 HB3 LEU 28 2HB LEU 28 -2.451 -7.634 -18.565 186 HG LEU 28 HG LEU 28 -4.853 -8.149 -18.963 187 HD11 LEU 28 1HD1 LEU 28 -4.574 -9.638 -21.367 188 HD12 LEU 28 2HD1 LEU 28 -4.051 -7.982 -21.673 189 HD13 LEU 28 3HD1 LEU 28 -5.660 -8.292 -21.020 190 HD21 LEU 28 3HD2 LEU 28 -4.544 -10.396 -18.667 191 HD22 LEU 28 1HD2 LEU 28 -2.908 -9.817 -18.354 192 HD23 LEU 28 2HD2 LEU 28 -3.313 -10.507 -19.926 193 H LEU 29 H LEU 29 -5.427 -6.158 -21.010 194 HA LEU 29 HA LEU 29 -6.860 -5.201 -18.620 195 HB2 LEU 29 1HB LEU 29 -7.090 -4.426 -21.488 196 HB3 LEU 29 2HB LEU 29 -8.531 -4.383 -20.476 197 HG LEU 29 HG LEU 29 -6.025 -2.742 -20.222 198 HD11 LEU 29 1HD1 LEU 29 -7.622 -1.823 -21.735 199 HD12 LEU 29 2HD1 LEU 29 -7.709 -0.898 -20.236 200 HD13 LEU 29 3HD1 LEU 29 -8.943 -2.104 -20.601 201 HD21 LEU 29 3HD2 LEU 29 -6.359 -3.225 -17.991 202 HD22 LEU 29 1HD2 LEU 29 -8.106 -3.380 -18.177 203 HD23 LEU 29 2HD2 LEU 29 -7.356 -1.784 -18.200 204 H THR 30 H THR 30 -7.679 -7.068 -17.832 205 HA THR 30 HA THR 30 -9.022 -8.919 -19.660 206 HB THR 30 HB THR 30 -7.445 -9.911 -18.070 207 HG1 THR 30 1HG THR 30 -9.773 -10.778 -18.605 208 HG21 THR 30 3HG2 THR 30 -9.315 -8.964 -15.898 209 HG22 THR 30 1HG2 THR 30 -7.770 -8.204 -16.277 210 HG23 THR 30 2HG2 THR 30 -7.814 -9.868 -15.694 211 H GLN 31 H GLN 31 -9.641 -7.041 -16.713 212 HA GLN 31 HA GLN 31 -12.515 -7.201 -17.324 213 HB2 GLN 31 1HB GLN 31 -11.098 -7.724 -14.750 214 HB3 GLN 31 2HB GLN 31 -12.681 -6.960 -14.693 215 HG2 GLN 31 1HG GLN 31 -13.658 -8.827 -15.886 216 HG3 GLN 31 2HG GLN 31 -12.072 -9.584 -16.034 217 HE21 GLN 31 1HE2 GLN 31 -10.965 -9.457 -13.659 218 HE22 GLN 31 2HE2 GLN 31 -11.924 -10.234 -12.451 219 HA PRO 32 HA PRO 32 -10.864 -2.813 -16.762 220 HB2 PRO 32 1HB PRO 32 -11.397 -1.952 -19.281 221 HB3 PRO 32 2HB PRO 32 -9.860 -2.697 -18.826 222 HG2 PRO 32 1HG PRO 32 -12.226 -3.920 -20.192 223 HG3 PRO 32 2HG PRO 32 -10.501 -4.115 -20.554 224 HD2 PRO 32 1HD PRO 32 -11.916 -5.961 -19.168 225 HD3 PRO 32 2HD PRO 32 -10.193 -5.657 -18.869 226 H LEU 33 H LEU 33 -12.161 -0.765 -17.368 227 HA LEU 33 HA LEU 33 -15.010 -1.355 -16.932 228 HB2 LEU 33 1HB LEU 33 -13.555 1.217 -16.351 229 HB3 LEU 33 2HB LEU 33 -15.190 0.780 -15.859 230 HG LEU 33 HG LEU 33 -12.626 -0.435 -14.833 231 HD11 LEU 33 1HD1 LEU 33 -12.662 1.368 -13.516 232 HD12 LEU 33 2HD1 LEU 33 -14.025 0.588 -12.713 233 HD13 LEU 33 3HD1 LEU 33 -14.313 1.785 -13.975 234 HD21 LEU 33 3HD2 LEU 33 -14.076 -2.212 -14.685 235 HD22 LEU 33 1HD2 LEU 33 -15.495 -1.180 -14.505 236 HD23 LEU 33 2HD2 LEU 33 -14.385 -1.397 -13.151 237 H SER 34 H SER 34 -16.501 0.414 -17.762 238 HA SER 34 HA SER 34 -15.644 1.184 -20.474 239 HB2 SER 34 1HB SER 34 -17.450 -0.508 -20.423 240 HB3 SER 34 2HB SER 34 -18.451 0.607 -19.493 241 HG SER 34 HG SER 34 -17.387 1.570 -21.872 242 H LEU 35 H LEU 35 -16.159 3.224 -21.252 243 HA LEU 35 HA LEU 35 -17.263 5.123 -19.292 244 HB2 LEU 35 1HB LEU 35 -15.011 5.744 -21.190 245 HB3 LEU 35 2HB LEU 35 -15.644 6.769 -19.903 246 HG LEU 35 HG LEU 35 -14.209 4.158 -19.438 247 HD11 LEU 35 1HD1 LEU 35 -12.664 6.290 -18.513 248 HD12 LEU 35 2HD1 LEU 35 -13.181 6.753 -20.133 249 HD13 LEU 35 3HD1 LEU 35 -12.321 5.234 -19.883 250 HD21 LEU 35 3HD2 LEU 35 -14.990 6.398 -17.575 251 HD22 LEU 35 1HD2 LEU 35 -14.049 4.972 -17.136 252 HD23 LEU 35 2HD2 LEU 35 -15.729 4.798 -17.646 253 H ASP 36 H ASP 36 -17.810 7.272 -20.427 254 HA ASP 36 HA ASP 36 -19.488 6.611 -22.709 255 HB2 ASP 36 1HB ASP 36 -19.323 8.949 -20.828 256 HB3 ASP 36 2HB ASP 36 -20.227 9.071 -22.335 257 H CYS 37 H CYS 37 -16.528 6.856 -22.921 258 HA CYS 37 HA CYS 37 -16.446 8.982 -24.962 259 HB2 CYS 37 1HB CYS 37 -14.175 9.433 -24.437 260 HB3 CYS 37 2HB CYS 37 -15.021 9.362 -22.894 261 H GLY 38 H GLY 38 -15.569 5.708 -24.077 262 HA2 GLY 38 1HA GLY 38 -15.657 4.007 -25.804 263 HA3 GLY 38 2HA GLY 38 -14.985 5.185 -26.921 264 H HIS 39 H HIS 39 -13.892 4.506 -23.631 265 HA HIS 39 HA HIS 39 -11.551 3.096 -24.638 266 HB2 HIS 39 1HB HIS 39 -11.409 5.718 -23.146 267 HB3 HIS 39 2HB HIS 39 -10.045 4.612 -23.280 268 HD2 HIS 39 2HD HIS 39 -9.671 4.009 -26.283 269 HE1 HIS 39 1HE HIS 39 -10.436 8.102 -27.096 270 HE2 HIS 39 2HE HIS 39 -9.572 5.923 -28.019 271 H SER 40 H SER 40 -11.023 1.473 -23.325 272 HA SER 40 HA SER 40 -12.353 1.287 -20.739 273 HB2 SER 40 1HB SER 40 -10.587 -0.892 -21.753 274 HB3 SER 40 2HB SER 40 -12.128 -0.997 -20.903 275 HG SER 40 HG SER 40 -13.178 -0.835 -22.749 276 H PHE 41 H PHE 41 -11.118 0.416 -18.877 277 HA PHE 41 HA PHE 41 -8.271 0.798 -18.825 278 HB2 PHE 41 1HB PHE 41 -10.014 2.688 -17.230 279 HB3 PHE 41 2HB PHE 41 -8.258 2.588 -17.150 280 HD1 PHE 41 2HD PHE 41 -11.074 3.350 -19.438 281 HD2 PHE 41 1HD PHE 41 -6.928 3.829 -18.606 282 HE1 PHE 41 2HE PHE 41 -10.904 5.000 -21.254 283 HE2 PHE 41 1HE PHE 41 -6.751 5.481 -20.421 284 HZ PHE 41 HZ PHE 41 -8.741 6.068 -21.748 285 H CYS 42 H CYS 42 -7.590 0.788 -16.326 286 HA CYS 42 HA CYS 42 -8.784 -1.642 -15.271 287 HB2 CYS 42 1HB CYS 42 -6.364 -0.052 -14.394 288 HB3 CYS 42 2HB CYS 42 -6.883 -1.567 -13.663 289 H GLN 43 H GLN 43 -9.888 -1.825 -13.378 290 HA GLN 43 HA GLN 43 -11.396 0.283 -12.420 291 HB2 GLN 43 1HB GLN 43 -12.037 -1.999 -11.983 292 HB3 GLN 43 2HB GLN 43 -10.580 -2.275 -11.038 293 HG2 GLN 43 1HG GLN 43 -12.295 -2.014 -9.472 294 HG3 GLN 43 2HG GLN 43 -11.426 -0.480 -9.468 295 HE21 GLN 43 1HE2 GLN 43 -12.383 1.331 -10.466 296 HE22 GLN 43 2HE2 GLN 43 -14.089 1.414 -10.721 297 H ALA 44 H ALA 44 -8.126 -0.502 -11.749 298 HA ALA 44 HA ALA 44 -8.068 1.177 -9.352 299 HB1 ALA 44 3HB ALA 44 -6.031 0.211 -8.810 300 HB2 ALA 44 1HB ALA 44 -6.903 -1.119 -9.573 301 HB3 ALA 44 2HB ALA 44 -5.680 -0.230 -10.482 302 H CYS 45 H CYS 45 -6.330 0.863 -12.450 303 HA CYS 45 HA CYS 45 -4.757 3.112 -12.332 304 HB2 CYS 45 1HB CYS 45 -6.162 1.906 -14.721 305 HB3 CYS 45 2HB CYS 45 -4.914 3.142 -14.840 306 H LEU 46 H LEU 46 -8.145 2.885 -13.328 307 HA LEU 46 HA LEU 46 -8.476 5.536 -14.172 308 HB2 LEU 46 1HB LEU 46 -10.250 3.331 -13.320 309 HB3 LEU 46 2HB LEU 46 -10.932 4.955 -13.256 310 HG LEU 46 HG LEU 46 -9.620 3.982 -15.763 311 HD11 LEU 46 1HD1 LEU 46 -12.408 3.332 -14.831 312 HD12 LEU 46 2HD1 LEU 46 -11.131 2.201 -15.278 313 HD13 LEU 46 3HD1 LEU 46 -11.876 3.221 -16.509 314 HD21 LEU 46 3HD2 LEU 46 -11.400 5.480 -16.726 315 HD22 LEU 46 1HD2 LEU 46 -10.169 6.289 -15.756 316 HD23 LEU 46 2HD2 LEU 46 -11.766 5.978 -15.074 317 H THR 47 H THR 47 -8.986 4.043 -10.993 318 HA THR 47 HA THR 47 -9.962 6.300 -9.662 319 HB THR 47 HB THR 47 -8.333 4.011 -8.543 320 HG1 THR 47 1HG THR 47 -10.691 3.588 -7.816 321 HG21 THR 47 3HG2 THR 47 -10.172 5.866 -7.041 322 HG22 THR 47 1HG2 THR 47 -8.426 6.095 -7.120 323 HG23 THR 47 2HG2 THR 47 -9.093 4.640 -6.377 324 H ALA 48 H ALA 48 -6.651 5.198 -10.217 325 HA ALA 48 HA ALA 48 -5.425 7.202 -8.605 326 HB1 ALA 48 3HB ALA 48 -4.571 4.895 -9.832 327 HB2 ALA 48 1HB ALA 48 -3.770 6.161 -10.763 328 HB3 ALA 48 2HB ALA 48 -3.543 6.073 -9.016 329 H ASN 49 H ASN 49 -5.955 6.862 -12.103 330 HA ASN 49 HA ASN 49 -4.654 9.150 -12.968 331 HB2 ASN 49 1HB ASN 49 -5.428 7.597 -14.599 332 HB3 ASN 49 2HB ASN 49 -7.094 7.737 -14.044 333 HD21 ASN 49 1HD2 ASN 49 -8.370 9.296 -14.861 334 HD22 ASN 49 2HD2 ASN 49 -7.865 10.451 -16.042 335 H HIS 50 H HIS 50 -7.985 8.777 -11.818 336 HA HIS 50 HA HIS 50 -8.962 11.309 -12.330 337 HB2 HIS 50 1HB HIS 50 -9.522 9.373 -10.091 338 HB3 HIS 50 2HB HIS 50 -10.378 10.907 -10.224 339 HD2 HIS 50 2HD HIS 50 -12.728 9.334 -10.693 340 HE1 HIS 50 1HE HIS 50 -11.570 8.253 -14.629 341 HE2 HIS 50 2HE HIS 50 -13.472 8.389 -12.983 342 H LYS 51 H LYS 51 -7.477 10.216 -9.274 343 HA LYS 51 HA LYS 51 -7.412 12.700 -8.016 344 HB2 LYS 51 1HB LYS 51 -5.470 10.404 -7.701 345 HB3 LYS 51 2HB LYS 51 -5.673 11.733 -6.568 346 HG2 LYS 51 1HG LYS 51 -7.627 10.918 -5.741 347 HG3 LYS 51 2HG LYS 51 -8.075 10.139 -7.260 348 HD2 LYS 51 1HD LYS 51 -7.577 8.335 -5.886 349 HD3 LYS 51 2HD LYS 51 -6.069 8.576 -6.771 350 HE2 LYS 51 1HE LYS 51 -5.593 8.228 -4.428 351 HE3 LYS 51 2HE LYS 51 -5.199 9.887 -4.873 352 HZ1 LYS 51 3HZ LYS 51 -6.931 10.722 -3.666 353 HZ2 LYS 51 1HZ LYS 51 -6.548 9.373 -2.719 354 HZ3 LYS 51 2HZ LYS 51 -7.861 9.314 -3.783 355 H LYS 52 H LYS 52 -5.273 11.299 -10.393 356 HA LYS 52 HA LYS 52 -3.095 13.068 -10.060 357 HB2 LYS 52 1HB LYS 52 -3.282 10.836 -11.400 358 HB3 LYS 52 2HB LYS 52 -3.813 11.874 -12.717 359 HG2 LYS 52 1HG LYS 52 -1.293 12.534 -11.269 360 HG3 LYS 52 2HG LYS 52 -1.298 11.230 -12.458 361 HD2 LYS 52 1HD LYS 52 -2.042 12.721 -14.182 362 HD3 LYS 52 2HD LYS 52 -2.289 14.023 -13.016 363 HE2 LYS 52 1HE LYS 52 -0.253 14.616 -13.888 364 HE3 LYS 52 2HE LYS 52 0.256 13.631 -12.517 365 HZ1 LYS 52 3HZ LYS 52 1.486 12.630 -14.096 366 HZ2 LYS 52 1HZ LYS 52 0.470 13.097 -15.365 367 HZ3 LYS 52 2HZ LYS 52 0.061 11.771 -14.398 368 H SER 53 H SER 53 -5.680 13.053 -12.521 369 HA SER 53 HA SER 53 -4.992 15.546 -13.637 370 HB2 SER 53 1HB SER 53 -6.346 14.047 -14.926 371 HB3 SER 53 2HB SER 53 -7.577 13.978 -13.665 372 HG SER 53 HG SER 53 -7.966 16.213 -14.064 373 H MET 54 H MET 54 -6.638 14.711 -10.754 374 HA MET 54 HA MET 54 -8.385 16.816 -10.358 375 HB2 MET 54 1HB MET 54 -7.702 14.728 -8.865 376 HB3 MET 54 2HB MET 54 -6.707 15.933 -8.058 377 HG2 MET 54 1HG MET 54 -8.575 16.149 -6.810 378 HG3 MET 54 2HG MET 54 -8.990 17.281 -8.094 379 HE1 MET 54 3HE MET 54 -9.574 15.149 -10.494 380 HE2 MET 54 1HE MET 54 -11.330 15.073 -10.351 381 HE3 MET 54 2HE MET 54 -10.499 16.619 -10.184 382 H LEU 55 H LEU 55 -4.888 16.726 -9.983 383 HA LEU 55 HA LEU 55 -4.913 19.575 -9.253 384 HB2 LEU 55 1HB LEU 55 -2.552 19.187 -8.572 385 HB3 LEU 55 2HB LEU 55 -3.741 18.277 -7.642 386 HG LEU 55 HG LEU 55 -2.420 16.933 -9.948 387 HD11 LEU 55 1HD1 LEU 55 -0.466 17.774 -9.004 388 HD12 LEU 55 2HD1 LEU 55 -0.651 16.198 -8.235 389 HD13 LEU 55 3HD1 LEU 55 -1.096 17.663 -7.361 390 HD21 LEU 55 3HD2 LEU 55 -3.099 15.036 -8.927 391 HD22 LEU 55 1HD2 LEU 55 -4.259 16.124 -8.164 392 HD23 LEU 55 2HD2 LEU 55 -2.787 15.664 -7.308 393 H ASP 56 H ASP 56 -3.771 17.252 -11.597 394 HA ASP 56 HA ASP 56 -1.858 18.695 -12.965 395 HB2 ASP 56 1HB ASP 56 -2.843 16.287 -13.350 396 HB3 ASP 56 2HB ASP 56 -3.874 17.114 -14.514 397 H LYS 57 H LYS 57 -5.362 18.649 -13.621 398 HA LYS 57 HA LYS 57 -5.105 21.357 -14.730 399 HB2 LYS 57 1HB LYS 57 -6.856 20.670 -16.442 400 HB3 LYS 57 2HB LYS 57 -5.232 20.042 -16.689 401 HG2 LYS 57 1HG LYS 57 -6.399 18.135 -17.037 402 HG3 LYS 57 2HG LYS 57 -6.217 18.016 -15.286 403 HD2 LYS 57 1HD LYS 57 -8.463 17.664 -15.435 404 HD3 LYS 57 2HD LYS 57 -8.468 19.427 -15.343 405 HE2 LYS 57 1HE LYS 57 -8.315 19.305 -17.930 406 HE3 LYS 57 2HE LYS 57 -8.881 17.649 -17.717 407 HZ1 LYS 57 3HZ LYS 57 -10.324 20.125 -17.470 408 HZ2 LYS 57 1HZ LYS 57 -10.581 19.071 -16.172 409 HZ3 LYS 57 2HZ LYS 57 -10.902 18.561 -17.753 410 H GLY 58 H GLY 58 -7.258 18.854 -13.447 411 HA2 GLY 58 1HA GLY 58 -8.525 20.104 -11.483 412 HA3 GLY 58 2HA GLY 58 -9.309 20.848 -12.869 413 H GLU 59 H GLU 59 -10.753 19.664 -14.105 414 HA GLU 59 HA GLU 59 -12.022 17.488 -12.740 415 HB2 GLU 59 1HB GLU 59 -12.540 18.923 -15.331 416 HB3 GLU 59 2HB GLU 59 -13.444 17.480 -14.896 417 HG2 GLU 59 1HG GLU 59 -13.286 19.666 -12.900 418 HG3 GLU 59 2HG GLU 59 -14.304 19.909 -14.318 419 H SER 60 H SER 60 -11.587 15.400 -12.935 420 HA SER 60 HA SER 60 -9.525 14.366 -14.490 421 HB2 SER 60 1HB SER 60 -10.235 13.117 -12.590 422 HB3 SER 60 2HB SER 60 -11.894 13.027 -13.180 423 HG SER 60 HG SER 60 -11.250 11.175 -13.946 424 H SER 61 H SER 61 -9.358 13.685 -16.533 425 HA SER 61 HA SER 61 -11.799 13.162 -18.072 426 HB2 SER 61 1HB SER 61 -9.582 15.061 -18.857 427 HB3 SER 61 2HB SER 61 -10.755 14.421 -20.007 428 HG SER 61 HG SER 61 -12.323 15.574 -19.083 429 H CYS 62 H CYS 62 -11.547 11.741 -19.817 430 HA CYS 62 HA CYS 62 -9.997 9.553 -19.553 431 HB2 CYS 62 1HB CYS 62 -11.799 9.855 -21.251 432 HB3 CYS 62 2HB CYS 62 -10.670 10.783 -22.233 433 HA PRO 63 HA PRO 63 -5.850 11.097 -20.090 434 HB2 PRO 63 1HB PRO 63 -4.621 8.703 -19.725 435 HB3 PRO 63 2HB PRO 63 -5.263 9.667 -18.389 436 HG2 PRO 63 1HG PRO 63 -6.476 7.308 -19.777 437 HG3 PRO 63 2HG PRO 63 -6.416 7.677 -18.043 438 HD2 PRO 63 1HD PRO 63 -8.620 8.124 -19.552 439 HD3 PRO 63 2HD PRO 63 -8.188 9.146 -18.166 440 H VAL 64 H VAL 64 -7.683 9.337 -22.181 441 HA VAL 64 HA VAL 64 -5.458 8.853 -24.046 442 HB VAL 64 HB VAL 64 -8.261 7.727 -24.081 443 HG11 VAL 64 1HG1 VAL 64 -7.823 6.693 -26.074 444 HG12 VAL 64 2HG1 VAL 64 -6.905 8.184 -26.297 445 HG13 VAL 64 3HG1 VAL 64 -6.078 6.700 -25.821 446 HG21 VAL 64 3HG2 VAL 64 -5.614 6.395 -23.514 447 HG22 VAL 64 1HG2 VAL 64 -6.850 6.784 -22.318 448 HG23 VAL 64 2HG2 VAL 64 -7.184 5.595 -23.577 449 H CYS 65 H CYS 65 -8.835 9.995 -24.012 450 HA CYS 65 HA CYS 65 -8.206 11.658 -26.360 451 HB2 CYS 65 1HB CYS 65 -10.628 11.658 -26.820 452 HB3 CYS 65 2HB CYS 65 -9.968 10.025 -26.793 453 H ARG 66 H ARG 66 -9.204 11.668 -23.067 454 HA ARG 66 HA ARG 66 -9.555 13.348 -21.573 455 HB2 ARG 66 1HB ARG 66 -8.640 15.223 -23.758 456 HB3 ARG 66 2HB ARG 66 -8.658 15.537 -22.028 457 HG2 ARG 66 1HG ARG 66 -7.072 13.226 -22.998 458 HG3 ARG 66 2HG ARG 66 -6.453 14.849 -23.306 459 HD2 ARG 66 1HD ARG 66 -7.417 14.213 -20.568 460 HD3 ARG 66 2HD ARG 66 -5.878 13.526 -21.085 461 HE ARG 66 HE ARG 66 -5.580 16.113 -21.725 462 HH11 ARG 66 1HH1 ARG 66 -6.676 14.546 -18.816 463 HH12 ARG 66 2HH1 ARG 66 -6.093 15.797 -17.767 464 HH21 ARG 66 1HH2 ARG 66 -4.809 17.766 -20.355 465 HH22 ARG 66 2HH2 ARG 66 -5.033 17.628 -18.644 466 H ILE 67 H ILE 67 -11.748 12.438 -22.978 467 HA ILE 67 HA ILE 67 -13.303 14.409 -24.226 468 HB ILE 67 HB ILE 67 -13.794 11.969 -24.286 469 HG12 ILE 67 1HG1 ILE 67 -16.171 13.489 -23.224 470 HG13 ILE 67 2HG1 ILE 67 -15.467 13.843 -24.798 471 HG21 ILE 67 1HG2 ILE 67 -14.387 12.488 -21.413 472 HG22 ILE 67 2HG2 ILE 67 -15.326 11.271 -22.276 473 HG23 ILE 67 3HG2 ILE 67 -13.573 11.117 -22.167 474 HD11 ILE 67 3HD1 ILE 67 -16.465 12.098 -25.739 475 HD12 ILE 67 1HD1 ILE 67 -15.994 11.015 -24.428 476 HD13 ILE 67 2HD1 ILE 67 -17.442 12.011 -24.274 477 H SER 68 H SER 68 -15.216 15.487 -23.412 478 HA SER 68 HA SER 68 -14.729 16.646 -20.799 479 HB2 SER 68 1HB SER 68 -15.503 17.828 -23.040 480 HB3 SER 68 2HB SER 68 -17.106 17.386 -22.454 481 HG SER 68 HG SER 68 -15.377 18.572 -20.627 482 H TYR 69 H TYR 69 -15.617 13.867 -20.972 483 HA TYR 69 HA TYR 69 -18.373 13.804 -20.152 484 HB2 TYR 69 1HB TYR 69 -18.184 11.495 -20.168 485 HB3 TYR 69 2HB TYR 69 -16.951 11.952 -21.338 486 HD1 TYR 69 2HD TYR 69 -14.822 12.869 -19.420 487 HD2 TYR 69 1HD TYR 69 -17.341 9.440 -19.389 488 HE1 TYR 69 2HE TYR 69 -13.131 11.645 -18.119 489 HE2 TYR 69 1HE TYR 69 -15.658 8.208 -18.086 490 HH TYR 69 HH TYR 69 -12.825 9.787 -16.784 491 H GLN 70 H GLN 70 -19.149 13.175 -18.088 492 HA GLN 70 HA GLN 70 -17.535 14.224 -15.916 493 HB2 GLN 70 1HB GLN 70 -20.413 13.398 -16.179 494 HB3 GLN 70 2HB GLN 70 -19.698 13.708 -14.603 495 HG2 GLN 70 1HG GLN 70 -19.644 15.708 -16.842 496 HG3 GLN 70 2HG GLN 70 -20.945 15.621 -15.656 497 HE21 GLN 70 1HE2 GLN 70 -20.688 17.360 -14.429 498 HE22 GLN 70 2HE2 GLN 70 -19.228 17.812 -13.622 499 HA PRO 71 HA PRO 71 -16.197 10.057 -14.955 500 HB2 PRO 71 1HB PRO 71 -14.487 10.803 -12.983 501 HB3 PRO 71 2HB PRO 71 -14.091 10.939 -14.700 502 HG2 PRO 71 1HG PRO 71 -15.060 13.046 -12.807 503 HG3 PRO 71 2HG PRO 71 -13.787 13.147 -14.038 504 HD2 PRO 71 1HD PRO 71 -16.282 14.122 -14.438 505 HD3 PRO 71 2HD PRO 71 -15.296 13.451 -15.754 506 H GLU 72 H GLU 72 -18.186 12.121 -13.288 507 HA GLU 72 HA GLU 72 -18.174 10.868 -10.715 508 HB2 GLU 72 1HB GLU 72 -20.233 12.652 -12.026 509 HB3 GLU 72 2HB GLU 72 -20.249 12.167 -10.337 510 HG2 GLU 72 1HG GLU 72 -18.480 13.515 -9.786 511 HG3 GLU 72 2HG GLU 72 -17.831 13.517 -11.425 512 H ASN 73 H ASN 73 -20.461 10.811 -13.448 513 HA ASN 73 HA ASN 73 -21.743 8.449 -12.292 514 HB2 ASN 73 1HB ASN 73 -22.550 10.182 -14.638 515 HB3 ASN 73 2HB ASN 73 -23.477 8.817 -14.023 516 HD21 ASN 73 1HD2 ASN 73 -21.986 11.834 -12.909 517 HD22 ASN 73 2HD2 ASN 73 -23.263 12.265 -11.827 518 H ILE 74 H ILE 74 -20.601 6.661 -12.771 519 HA ILE 74 HA ILE 74 -20.447 5.851 -15.539 520 HB ILE 74 HB ILE 74 -17.909 6.039 -13.911 521 HG12 ILE 74 1HG1 ILE 74 -18.767 7.541 -16.395 522 HG13 ILE 74 2HG1 ILE 74 -18.645 8.221 -14.777 523 HG21 ILE 74 1HG2 ILE 74 -17.581 5.477 -16.718 524 HG22 ILE 74 2HG2 ILE 74 -16.980 4.591 -15.317 525 HG23 ILE 74 3HG2 ILE 74 -18.595 4.258 -15.944 526 HD11 ILE 74 3HD1 ILE 74 -16.298 8.040 -14.774 527 HD12 ILE 74 1HD1 ILE 74 -16.302 7.010 -16.206 528 HD13 ILE 74 2HD1 ILE 74 -16.740 8.713 -16.343 529 H ARG 75 H ARG 75 -20.585 3.677 -15.766 530 HA ARG 75 HA ARG 75 -20.028 1.955 -13.474 531 HB2 ARG 75 1HB ARG 75 -22.177 0.865 -13.559 532 HB3 ARG 75 2HB ARG 75 -22.428 2.591 -13.339 533 HG2 ARG 75 1HG ARG 75 -22.752 2.705 -15.859 534 HG3 ARG 75 2HG ARG 75 -22.865 0.944 -15.805 535 HD2 ARG 75 1HD ARG 75 -24.649 1.292 -14.011 536 HD3 ARG 75 2HD ARG 75 -24.667 2.978 -14.525 537 HE ARG 75 HE ARG 75 -25.021 1.696 -16.847 538 HH11 ARG 75 1HH1 ARG 75 -26.549 1.320 -13.741 539 HH12 ARG 75 2HH1 ARG 75 -28.060 0.792 -14.403 540 HH21 ARG 75 1HH2 ARG 75 -27.006 1.000 -17.730 541 HH22 ARG 75 2HH2 ARG 75 -28.319 0.609 -16.672 542 HA PRO 76 HA PRO 76 -18.414 -0.721 -16.565 543 HB2 PRO 76 1HB PRO 76 -18.604 -3.100 -15.270 544 HB3 PRO 76 2HB PRO 76 -17.409 -1.869 -14.846 545 HG2 PRO 76 1HG PRO 76 -20.035 -2.486 -13.548 546 HG3 PRO 76 2HG PRO 76 -18.471 -2.126 -12.794 547 HD2 PRO 76 1HD PRO 76 -20.435 -0.277 -13.027 548 HD3 PRO 76 2HD PRO 76 -18.712 0.148 -13.082 549 H ASN 77 H ASN 77 -18.941 -2.739 -17.790 550 HA ASN 77 HA ASN 77 -21.473 -2.603 -18.937 551 HB2 ASN 77 1HB ASN 77 -20.787 -4.311 -20.319 552 HB3 ASN 77 2HB ASN 77 -19.225 -3.770 -19.711 553 HD21 ASN 77 1HD2 ASN 77 -18.216 -4.983 -18.045 554 HD22 ASN 77 2HD2 ASN 77 -18.585 -6.657 -17.831 555 H ARG 78 H ARG 78 -20.205 -5.030 -16.656 556 HA ARG 78 HA ARG 78 -22.821 -5.325 -15.467 557 HB2 ARG 78 1HB ARG 78 -22.768 -6.865 -17.488 558 HB3 ARG 78 2HB ARG 78 -21.521 -7.777 -16.648 559 HG2 ARG 78 1HG ARG 78 -23.292 -7.827 -14.718 560 HG3 ARG 78 2HG ARG 78 -24.421 -7.523 -16.039 561 HD2 ARG 78 1HD ARG 78 -24.218 -9.906 -15.640 562 HD3 ARG 78 2HD ARG 78 -23.548 -9.492 -17.218 563 HE ARG 78 HE ARG 78 -21.566 -9.535 -15.157 564 HH11 ARG 78 1HH1 ARG 78 -23.393 -11.515 -17.361 565 HH12 ARG 78 2HH1 ARG 78 -22.212 -12.783 -17.406 566 HH21 ARG 78 1HH2 ARG 78 -20.004 -11.196 -15.209 567 HH22 ARG 78 2HH2 ARG 78 -20.285 -12.600 -16.181 568 H HIS 79 H HIS 79 -22.706 -5.963 -13.372 569 HA HIS 79 HA HIS 79 -20.049 -6.751 -12.369 570 HB2 HIS 79 1HB HIS 79 -20.993 -4.440 -11.727 571 HB3 HIS 79 2HB HIS 79 -22.121 -5.331 -10.710 572 HD2 HIS 79 2HD HIS 79 -19.788 -7.514 -9.621 573 HE1 HIS 79 1HE HIS 79 -18.071 -3.985 -8.010 574 HE2 HIS 79 2HE HIS 79 -18.061 -6.504 -7.982 575 H VAL 80 H VAL 80 -20.167 -8.901 -12.090 576 HA VAL 80 HA VAL 80 -22.198 -9.911 -10.242 577 HB VAL 80 HB VAL 80 -21.598 -11.164 -12.924 578 HG11 VAL 80 1HG1 VAL 80 -23.141 -12.937 -12.265 579 HG12 VAL 80 2HG1 VAL 80 -21.755 -12.866 -11.175 580 HG13 VAL 80 3HG1 VAL 80 -23.311 -12.207 -10.670 581 HG21 VAL 80 3HG2 VAL 80 -24.172 -10.953 -13.042 582 HG22 VAL 80 1HG2 VAL 80 -23.973 -9.761 -11.757 583 HG23 VAL 80 2HG2 VAL 80 -23.189 -9.516 -13.318 584 H ALA 81 H ALA 81 -21.217 -10.963 -8.656 585 HA ALA 81 HA ALA 81 -18.458 -11.781 -8.915 586 HB1 ALA 81 3HB ALA 81 -20.052 -10.915 -6.813 587 HB2 ALA 81 1HB ALA 81 -19.739 -12.614 -6.460 588 HB3 ALA 81 2HB ALA 81 -18.393 -11.501 -6.709 589 H ASN 82 H ASN 82 -19.957 -13.246 -10.675 590 HA ASN 82 HA ASN 82 -20.599 -15.806 -9.475 591 HB2 ASN 82 1HB ASN 82 -22.076 -15.190 -11.216 592 HB3 ASN 82 2HB ASN 82 -20.754 -14.719 -12.281 593 HD21 ASN 82 1HD2 ASN 82 -22.870 -17.176 -11.374 594 HD22 ASN 82 2HD2 ASN 82 -22.177 -18.458 -12.302 595 H ILE 83 H ILE 83 -19.246 -17.467 -9.302 596 HA ILE 83 HA ILE 83 -16.840 -17.508 -10.998 597 HB ILE 83 HB ILE 83 -16.956 -18.246 -8.071 598 HG12 ILE 83 1HG1 ILE 83 -15.420 -16.010 -9.404 599 HG13 ILE 83 2HG1 ILE 83 -16.980 -15.785 -8.622 600 HG21 ILE 83 1HG2 ILE 83 -15.331 -19.662 -8.780 601 HG22 ILE 83 2HG2 ILE 83 -14.954 -18.694 -10.204 602 HG23 ILE 83 3HG2 ILE 83 -14.348 -18.206 -8.621 603 HD11 ILE 83 3HD1 ILE 83 -14.345 -15.912 -7.473 604 HD12 ILE 83 1HD1 ILE 83 -15.866 -15.385 -6.753 605 HD13 ILE 83 2HD1 ILE 83 -15.425 -17.092 -6.730 606 H VAL 84 H VAL 84 -16.310 -19.432 -11.888 607 HA VAL 84 HA VAL 84 -17.836 -21.804 -11.036 608 HB VAL 84 HB VAL 84 -18.712 -20.846 -13.174 609 HG11 VAL 84 1HG1 VAL 84 -16.601 -21.876 -14.851 610 HG12 VAL 84 2HG1 VAL 84 -17.378 -20.292 -14.866 611 HG13 VAL 84 3HG1 VAL 84 -16.009 -20.593 -13.797 612 HG21 VAL 84 3HG2 VAL 84 -18.012 -23.222 -14.391 613 HG22 VAL 84 1HG2 VAL 84 -17.833 -23.569 -12.671 614 HG23 VAL 84 2HG2 VAL 84 -19.372 -22.976 -13.296 615 H GLU 85 H GLU 85 -15.343 -21.306 -10.025 616 HA GLU 85 HA GLU 85 -13.107 -22.159 -11.362 617 HB2 GLU 85 1HB GLU 85 -12.159 -22.741 -9.224 618 HB3 GLU 85 2HB GLU 85 -13.154 -21.305 -9.028 619 HG2 GLU 85 1HG GLU 85 -14.352 -23.978 -8.501 620 HG3 GLU 85 2HG GLU 85 -13.270 -23.264 -7.306 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -11.841 -29.994 -20.420 2 HA2 GLY 1 1HA GLY 1 -9.360 -29.467 -21.769 3 HA3 GLY 1 2HA GLY 1 -10.225 -30.997 -21.735 4 H SER 2 H SER 2 -10.786 -31.664 -23.684 5 HA SER 2 HA SER 2 -11.320 -31.667 -25.901 6 HB2 SER 2 1HB SER 2 -13.460 -30.862 -24.830 7 HB3 SER 2 2HB SER 2 -12.960 -29.217 -25.225 8 HG SER 2 HG SER 2 -14.329 -30.680 -26.762 9 H SER 3 H SER 3 -8.900 -30.421 -25.373 10 HA SER 3 HA SER 3 -8.886 -28.126 -27.218 11 HB2 SER 3 1HB SER 3 -6.713 -27.533 -26.202 12 HB3 SER 3 2HB SER 3 -7.998 -27.606 -24.996 13 HG SER 3 HG SER 3 -7.175 -29.455 -24.205 14 H GLY 4 H GLY 4 -7.581 -28.122 -29.005 15 HA2 GLY 4 1HA GLY 4 -5.644 -30.232 -29.433 16 HA3 GLY 4 2HA GLY 4 -7.073 -30.340 -30.451 17 H SER 5 H SER 5 -4.607 -30.069 -31.598 18 HA SER 5 HA SER 5 -4.962 -27.790 -33.231 19 HB2 SER 5 1HB SER 5 -2.874 -26.582 -32.637 20 HB3 SER 5 2HB SER 5 -4.059 -26.564 -31.331 21 HG SER 5 HG SER 5 -2.865 -28.014 -30.212 22 H SER 6 H SER 6 -3.570 -27.775 -35.031 23 HA SER 6 HA SER 6 -2.055 -30.273 -35.358 24 HB2 SER 6 1HB SER 6 -3.477 -28.488 -37.326 25 HB3 SER 6 2HB SER 6 -2.294 -29.686 -37.851 26 HG SER 6 HG SER 6 -4.732 -30.127 -36.477 27 H GLY 7 H GLY 7 -0.033 -29.746 -34.644 28 HA2 GLY 7 1HA GLY 7 1.312 -27.543 -36.085 29 HA3 GLY 7 2HA GLY 7 1.646 -27.918 -34.401 30 H MET 8 H MET 8 3.869 -27.909 -35.506 31 HA MET 8 HA MET 8 4.464 -30.474 -36.783 32 HB2 MET 8 1HB MET 8 5.850 -27.835 -36.626 33 HB3 MET 8 2HB MET 8 6.823 -29.278 -36.880 34 HG2 MET 8 1HG MET 8 4.541 -28.355 -38.612 35 HG3 MET 8 2HG MET 8 6.257 -28.207 -38.984 36 HE1 MET 8 3HE MET 8 6.941 -29.679 -40.958 37 HE2 MET 8 1HE MET 8 7.836 -30.148 -39.512 38 HE3 MET 8 2HE MET 8 7.201 -31.386 -40.596 39 H ALA 9 H ALA 9 6.660 -31.429 -36.113 40 HA ALA 9 HA ALA 9 6.554 -32.545 -33.646 41 HB1 ALA 9 3HB ALA 9 8.330 -32.640 -35.721 42 HB2 ALA 9 1HB ALA 9 9.311 -31.962 -34.421 43 HB3 ALA 9 2HB ALA 9 8.497 -33.511 -34.196 44 H SER 10 H SER 10 8.366 -29.590 -34.459 45 HA SER 10 HA SER 10 9.516 -29.024 -32.038 46 HB2 SER 10 1HB SER 10 8.247 -27.005 -33.904 47 HB3 SER 10 2HB SER 10 9.486 -26.666 -32.696 48 HG SER 10 HG SER 10 10.671 -26.968 -34.462 49 H GLY 11 H GLY 11 8.878 -28.285 -30.087 50 HA2 GLY 11 1HA GLY 11 5.984 -28.045 -29.657 51 HA3 GLY 11 2HA GLY 11 7.186 -28.361 -28.415 52 H ILE 12 H ILE 12 6.924 -25.822 -30.896 53 HA ILE 12 HA ILE 12 7.419 -23.832 -28.806 54 HB ILE 12 HB ILE 12 7.836 -22.261 -30.655 55 HG12 ILE 12 1HG1 ILE 12 7.742 -24.553 -32.586 56 HG13 ILE 12 2HG1 ILE 12 6.266 -23.671 -32.209 57 HG21 ILE 12 1HG2 ILE 12 9.947 -23.164 -31.338 58 HG22 ILE 12 2HG2 ILE 12 9.638 -23.674 -29.679 59 HG23 ILE 12 3HG2 ILE 12 9.404 -24.809 -31.008 60 HD11 ILE 12 3HD1 ILE 12 6.861 -21.928 -33.460 61 HD12 ILE 12 1HD1 ILE 12 8.520 -21.943 -32.863 62 HD13 ILE 12 2HD1 ILE 12 8.043 -23.026 -34.171 63 H LEU 13 H LEU 13 6.246 -21.722 -29.042 64 HA LEU 13 HA LEU 13 3.506 -22.056 -30.039 65 HB2 LEU 13 1HB LEU 13 4.295 -21.062 -27.307 66 HB3 LEU 13 2HB LEU 13 2.677 -20.907 -27.990 67 HG LEU 13 HG LEU 13 2.739 -23.476 -28.172 68 HD11 LEU 13 1HD1 LEU 13 5.321 -23.153 -27.346 69 HD12 LEU 13 2HD1 LEU 13 4.393 -24.648 -27.230 70 HD13 LEU 13 3HD1 LEU 13 4.499 -23.566 -25.841 71 HD21 LEU 13 3HD2 LEU 13 2.653 -22.173 -25.453 72 HD22 LEU 13 1HD2 LEU 13 1.908 -23.706 -25.905 73 HD23 LEU 13 2HD2 LEU 13 1.328 -22.200 -26.617 74 H VAL 14 H VAL 14 2.427 -20.117 -30.578 75 HA VAL 14 HA VAL 14 4.023 -17.660 -30.524 76 HB VAL 14 HB VAL 14 2.751 -18.792 -33.019 77 HG11 VAL 14 1HG1 VAL 14 2.827 -16.776 -33.979 78 HG12 VAL 14 2HG1 VAL 14 2.964 -16.136 -32.340 79 HG13 VAL 14 3HG1 VAL 14 4.416 -16.419 -33.301 80 HG21 VAL 14 3HG2 VAL 14 5.629 -18.048 -32.770 81 HG22 VAL 14 1HG2 VAL 14 5.076 -19.589 -32.115 82 HG23 VAL 14 2HG2 VAL 14 4.859 -19.231 -33.828 83 H ASN 15 H ASN 15 2.855 -15.841 -30.206 84 HA ASN 15 HA ASN 15 0.021 -15.751 -30.749 85 HB2 ASN 15 1HB ASN 15 1.060 -15.661 -27.910 86 HB3 ASN 15 2HB ASN 15 -0.559 -15.154 -28.383 87 HD21 ASN 15 1HD2 ASN 15 -1.748 -16.855 -29.717 88 HD22 ASN 15 2HD2 ASN 15 -1.651 -18.476 -29.128 89 H VAL 16 H VAL 16 -0.886 -13.575 -29.886 90 HA VAL 16 HA VAL 16 1.156 -11.505 -30.373 91 HB VAL 16 HB VAL 16 -0.590 -10.093 -31.291 92 HG11 VAL 16 1HG1 VAL 16 -0.837 -11.155 -33.354 93 HG12 VAL 16 2HG1 VAL 16 0.601 -11.910 -32.663 94 HG13 VAL 16 3HG1 VAL 16 -0.947 -12.756 -32.623 95 HG21 VAL 16 3HG2 VAL 16 -2.539 -10.606 -30.127 96 HG22 VAL 16 1HG2 VAL 16 -2.852 -11.252 -31.738 97 HG23 VAL 16 2HG2 VAL 16 -2.381 -12.337 -30.430 98 H LYS 17 H LYS 17 0.830 -9.441 -29.305 99 HA LYS 17 HA LYS 17 0.618 -9.556 -26.585 100 HB2 LYS 17 1HB LYS 17 0.649 -7.223 -26.563 101 HB3 LYS 17 2HB LYS 17 1.385 -7.619 -28.110 102 HG2 LYS 17 1HG LYS 17 -1.544 -7.025 -27.872 103 HG3 LYS 17 2HG LYS 17 -0.344 -5.744 -28.053 104 HD2 LYS 17 1HD LYS 17 0.185 -6.356 -30.200 105 HD3 LYS 17 2HD LYS 17 -0.268 -8.043 -29.945 106 HE2 LYS 17 1HE LYS 17 -2.394 -5.966 -29.809 107 HE3 LYS 17 2HE LYS 17 -1.757 -6.409 -31.392 108 HZ1 LYS 17 3HZ LYS 17 -2.837 -8.338 -31.347 109 HZ2 LYS 17 1HZ LYS 17 -3.718 -7.720 -30.041 110 HZ3 LYS 17 2HZ LYS 17 -2.358 -8.686 -29.762 111 H GLU 18 H GLU 18 -0.984 -8.899 -25.061 112 HA GLU 18 HA GLU 18 -3.436 -10.090 -25.269 113 HB2 GLU 18 1HB GLU 18 -2.843 -7.586 -23.682 114 HB3 GLU 18 2HB GLU 18 -4.157 -8.716 -23.383 115 HG2 GLU 18 1HG GLU 18 -1.238 -9.429 -23.231 116 HG3 GLU 18 2HG GLU 18 -2.229 -8.968 -21.848 117 H GLU 19 H GLU 19 -5.132 -9.761 -26.533 118 HA GLU 19 HA GLU 19 -5.495 -7.916 -28.457 119 HB2 GLU 19 1HB GLU 19 -7.958 -8.265 -28.216 120 HB3 GLU 19 2HB GLU 19 -7.022 -9.753 -28.254 121 HG2 GLU 19 1HG GLU 19 -7.106 -9.671 -25.708 122 HG3 GLU 19 2HG GLU 19 -8.360 -8.449 -25.912 123 H VAL 20 H VAL 20 -6.799 -7.558 -25.158 124 HA VAL 20 HA VAL 20 -7.148 -4.686 -25.672 125 HB VAL 20 HB VAL 20 -8.235 -6.222 -23.318 126 HG11 VAL 20 1HG1 VAL 20 -9.947 -4.241 -23.629 127 HG12 VAL 20 2HG1 VAL 20 -8.435 -4.015 -22.747 128 HG13 VAL 20 3HG1 VAL 20 -8.568 -3.479 -24.422 129 HG21 VAL 20 3HG2 VAL 20 -10.259 -5.582 -25.226 130 HG22 VAL 20 1HG2 VAL 20 -8.989 -6.511 -26.023 131 HG23 VAL 20 2HG2 VAL 20 -9.792 -7.161 -24.594 132 H THR 21 H THR 21 -5.671 -3.346 -24.896 133 HA THR 21 HA THR 21 -4.170 -4.141 -22.486 134 HB THR 21 HB THR 21 -3.084 -2.348 -24.655 135 HG1 THR 21 1HG THR 21 -1.821 -4.380 -25.104 136 HG21 THR 21 3HG2 THR 21 -1.575 -3.968 -22.617 137 HG22 THR 21 1HG2 THR 21 -2.138 -2.330 -22.285 138 HG23 THR 21 2HG2 THR 21 -0.994 -2.621 -23.596 139 H CYS 22 H CYS 22 -3.810 -2.605 -20.917 140 HA CYS 22 HA CYS 22 -5.669 -0.436 -20.812 141 HB2 CYS 22 1HB CYS 22 -5.030 -1.701 -18.801 142 HB3 CYS 22 2HB CYS 22 -3.376 -1.119 -18.960 143 HA PRO 23 HA PRO 23 -3.071 2.543 -22.835 144 HB2 PRO 23 1HB PRO 23 -4.665 4.692 -22.378 145 HB3 PRO 23 2HB PRO 23 -5.021 3.477 -23.611 146 HG2 PRO 23 1HG PRO 23 -6.140 3.757 -20.849 147 HG3 PRO 23 2HG PRO 23 -6.980 3.374 -22.363 148 HD2 PRO 23 1HD PRO 23 -6.304 1.477 -20.553 149 HD3 PRO 23 2HD PRO 23 -6.351 1.157 -22.298 150 H ILE 24 H ILE 24 -3.575 2.167 -19.575 151 HA ILE 24 HA ILE 24 -2.071 4.588 -18.859 152 HB ILE 24 HB ILE 24 -3.816 2.747 -17.248 153 HG12 ILE 24 1HG1 ILE 24 -3.889 5.728 -17.137 154 HG13 ILE 24 2HG1 ILE 24 -4.505 4.938 -18.585 155 HG21 ILE 24 1HG2 ILE 24 -3.129 3.978 -15.235 156 HG22 ILE 24 2HG2 ILE 24 -1.799 3.064 -15.943 157 HG23 ILE 24 3HG2 ILE 24 -1.894 4.809 -16.180 158 HD11 ILE 24 3HD1 ILE 24 -5.557 4.906 -15.809 159 HD12 ILE 24 1HD1 ILE 24 -6.408 5.096 -17.342 160 HD13 ILE 24 2HD1 ILE 24 -5.838 3.504 -16.841 161 H CYS 25 H CYS 25 -2.246 1.311 -17.475 162 HA CYS 25 HA CYS 25 0.540 1.379 -16.780 163 HB2 CYS 25 1HB CYS 25 0.117 -0.950 -15.971 164 HB3 CYS 25 2HB CYS 25 -0.970 0.252 -15.282 165 H LEU 26 H LEU 26 -1.312 0.295 -19.463 166 HA LEU 26 HA LEU 26 -0.795 -0.803 -21.387 167 HB2 LEU 26 1HB LEU 26 2.069 -0.109 -20.808 168 HB3 LEU 26 2HB LEU 26 1.293 -0.317 -22.376 169 HG LEU 26 HG LEU 26 0.702 1.951 -20.477 170 HD11 LEU 26 1HD1 LEU 26 2.824 1.566 -22.476 171 HD12 LEU 26 2HD1 LEU 26 2.752 2.646 -21.085 172 HD13 LEU 26 3HD1 LEU 26 1.942 3.088 -22.587 173 HD21 LEU 26 3HD2 LEU 26 0.027 2.732 -23.006 174 HD22 LEU 26 1HD2 LEU 26 -1.098 2.115 -21.797 175 HD23 LEU 26 2HD2 LEU 26 -0.427 1.027 -23.012 176 H GLU 27 H GLU 27 -0.990 -2.443 -19.140 177 HA GLU 27 HA GLU 27 1.149 -4.421 -19.550 178 HB2 GLU 27 1HB GLU 27 -0.712 -3.905 -17.240 179 HB3 GLU 27 2HB GLU 27 0.166 -5.421 -17.398 180 HG2 GLU 27 1HG GLU 27 1.714 -2.899 -17.583 181 HG3 GLU 27 2HG GLU 27 1.108 -3.388 -16.001 182 H LEU 28 H LEU 28 -2.272 -4.589 -18.564 183 HA LEU 28 HA LEU 28 -3.081 -6.067 -20.852 184 HB2 LEU 28 1HB LEU 28 -1.956 -7.921 -19.988 185 HB3 LEU 28 2HB LEU 28 -2.422 -7.544 -18.330 186 HG LEU 28 HG LEU 28 -4.677 -8.290 -18.745 187 HD11 LEU 28 1HD1 LEU 28 -4.391 -9.491 -21.322 188 HD12 LEU 28 2HD1 LEU 28 -4.045 -7.766 -21.436 189 HD13 LEU 28 3HD1 LEU 28 -5.582 -8.314 -20.767 190 HD21 LEU 28 3HD2 LEU 28 -3.210 -10.503 -20.027 191 HD22 LEU 28 1HD2 LEU 28 -4.202 -10.488 -18.569 192 HD23 LEU 28 2HD2 LEU 28 -2.538 -9.905 -18.509 193 H LEU 29 H LEU 29 -5.307 -6.330 -20.956 194 HA LEU 29 HA LEU 29 -6.839 -5.330 -18.650 195 HB2 LEU 29 1HB LEU 29 -6.926 -4.503 -21.510 196 HB3 LEU 29 2HB LEU 29 -8.422 -4.490 -20.579 197 HG LEU 29 HG LEU 29 -5.947 -2.837 -20.154 198 HD11 LEU 29 1HD1 LEU 29 -7.195 -1.532 -21.493 199 HD12 LEU 29 2HD1 LEU 29 -8.080 -1.186 -20.008 200 HD13 LEU 29 3HD1 LEU 29 -8.686 -2.401 -21.133 201 HD21 LEU 29 3HD2 LEU 29 -7.575 -1.967 -18.216 202 HD22 LEU 29 1HD2 LEU 29 -6.335 -3.194 -17.953 203 HD23 LEU 29 2HD2 LEU 29 -8.012 -3.676 -18.211 204 H THR 30 H THR 30 -7.454 -7.383 -17.999 205 HA THR 30 HA THR 30 -8.878 -9.073 -19.914 206 HB THR 30 HB THR 30 -7.314 -10.306 -18.613 207 HG1 THR 30 1HG THR 30 -9.849 -10.862 -18.605 208 HG21 THR 30 3HG2 THR 30 -8.229 -10.114 -15.954 209 HG22 THR 30 1HG2 THR 30 -8.055 -8.463 -16.545 210 HG23 THR 30 2HG2 THR 30 -6.684 -9.570 -16.606 211 H GLN 31 H GLN 31 -9.399 -7.209 -16.982 212 HA GLN 31 HA GLN 31 -12.291 -7.513 -17.381 213 HB2 GLN 31 1HB GLN 31 -10.737 -7.942 -14.848 214 HB3 GLN 31 2HB GLN 31 -12.412 -7.408 -14.787 215 HG2 GLN 31 1HG GLN 31 -13.103 -9.388 -16.020 216 HG3 GLN 31 2HG GLN 31 -11.425 -9.919 -16.122 217 HE21 GLN 31 1HE2 GLN 31 -10.597 -11.083 -14.504 218 HE22 GLN 31 2HE2 GLN 31 -11.400 -11.421 -13.013 219 HA PRO 32 HA PRO 32 -10.717 -3.095 -16.755 220 HB2 PRO 32 1HB PRO 32 -11.304 -2.181 -19.243 221 HB3 PRO 32 2HB PRO 32 -9.743 -2.897 -18.826 222 HG2 PRO 32 1HG PRO 32 -12.094 -4.144 -20.196 223 HG3 PRO 32 2HG PRO 32 -10.369 -4.284 -20.584 224 HD2 PRO 32 1HD PRO 32 -11.719 -6.203 -19.232 225 HD3 PRO 32 2HD PRO 32 -10.000 -5.863 -18.946 226 H LEU 33 H LEU 33 -12.102 -1.062 -17.512 227 HA LEU 33 HA LEU 33 -14.897 -1.718 -16.874 228 HB2 LEU 33 1HB LEU 33 -13.370 0.852 -16.493 229 HB3 LEU 33 2HB LEU 33 -15.071 0.615 -16.097 230 HG LEU 33 HG LEU 33 -12.703 -0.695 -14.766 231 HD11 LEU 33 1HD1 LEU 33 -14.712 1.348 -13.839 232 HD12 LEU 33 2HD1 LEU 33 -12.978 1.577 -14.058 233 HD13 LEU 33 3HD1 LEU 33 -13.572 0.518 -12.780 234 HD21 LEU 33 3HD2 LEU 33 -15.661 -1.102 -14.356 235 HD22 LEU 33 1HD2 LEU 33 -14.416 -1.644 -13.230 236 HD23 LEU 33 2HD2 LEU 33 -14.475 -2.305 -14.864 237 H SER 34 H SER 34 -16.516 -0.126 -17.768 238 HA SER 34 HA SER 34 -15.829 0.478 -20.569 239 HB2 SER 34 1HB SER 34 -17.532 -1.247 -20.415 240 HB3 SER 34 2HB SER 34 -18.502 -0.240 -19.340 241 HG SER 34 HG SER 34 -18.965 1.107 -21.009 242 H LEU 35 H LEU 35 -16.857 2.345 -21.537 243 HA LEU 35 HA LEU 35 -17.774 4.379 -19.633 244 HB2 LEU 35 1HB LEU 35 -15.711 4.886 -21.770 245 HB3 LEU 35 2HB LEU 35 -16.353 6.063 -20.626 246 HG LEU 35 HG LEU 35 -14.784 3.644 -19.762 247 HD11 LEU 35 1HD1 LEU 35 -12.814 4.995 -19.684 248 HD12 LEU 35 2HD1 LEU 35 -13.708 6.423 -20.203 249 HD13 LEU 35 3HD1 LEU 35 -13.470 5.079 -21.319 250 HD21 LEU 35 3HD2 LEU 35 -16.113 4.640 -18.019 251 HD22 LEU 35 1HD2 LEU 35 -15.514 6.248 -18.427 252 HD23 LEU 35 2HD2 LEU 35 -14.417 5.044 -17.750 253 H ASP 36 H ASP 36 -18.242 6.479 -21.167 254 HA ASP 36 HA ASP 36 -20.172 5.473 -23.139 255 HB2 ASP 36 1HB ASP 36 -21.113 6.817 -21.314 256 HB3 ASP 36 2HB ASP 36 -20.045 8.152 -21.738 257 H CYS 37 H CYS 37 -17.224 5.979 -23.516 258 HA CYS 37 HA CYS 37 -17.461 7.866 -25.768 259 HB2 CYS 37 1HB CYS 37 -15.149 8.505 -25.435 260 HB3 CYS 37 2HB CYS 37 -16.029 8.723 -23.926 261 H GLY 38 H GLY 38 -15.988 4.893 -24.563 262 HA2 GLY 38 1HA GLY 38 -16.071 3.012 -26.186 263 HA3 GLY 38 2HA GLY 38 -15.428 4.143 -27.367 264 H HIS 39 H HIS 39 -14.468 3.623 -23.992 265 HA HIS 39 HA HIS 39 -11.983 2.375 -24.834 266 HB2 HIS 39 1HB HIS 39 -12.030 4.998 -23.328 267 HB3 HIS 39 2HB HIS 39 -10.595 4.010 -23.589 268 HD2 HIS 39 2HD HIS 39 -10.286 3.588 -26.607 269 HE1 HIS 39 1HE HIS 39 -11.528 7.596 -27.231 270 HE2 HIS 39 2HE HIS 39 -10.472 5.560 -28.270 271 H SER 40 H SER 40 -11.034 1.129 -23.255 272 HA SER 40 HA SER 40 -12.556 0.903 -20.745 273 HB2 SER 40 1HB SER 40 -10.769 -1.300 -21.674 274 HB3 SER 40 2HB SER 40 -12.293 -1.385 -20.790 275 HG SER 40 HG SER 40 -11.836 -1.120 -23.542 276 H PHE 41 H PHE 41 -11.339 0.261 -18.826 277 HA PHE 41 HA PHE 41 -8.478 0.660 -18.832 278 HB2 PHE 41 1HB PHE 41 -10.228 2.551 -17.248 279 HB3 PHE 41 2HB PHE 41 -8.468 2.533 -17.285 280 HD1 PHE 41 2HD PHE 41 -11.474 3.118 -19.364 281 HD2 PHE 41 1HD PHE 41 -7.286 3.724 -18.913 282 HE1 PHE 41 2HE PHE 41 -11.504 4.697 -21.251 283 HE2 PHE 41 1HE PHE 41 -7.308 5.306 -20.798 284 HZ PHE 41 HZ PHE 41 -9.419 5.793 -21.970 285 H CYS 42 H CYS 42 -7.711 0.682 -16.405 286 HA CYS 42 HA CYS 42 -8.837 -1.707 -15.225 287 HB2 CYS 42 1HB CYS 42 -6.485 0.007 -14.399 288 HB3 CYS 42 2HB CYS 42 -6.934 -1.517 -13.640 289 H GLN 43 H GLN 43 -10.078 -1.830 -13.447 290 HA GLN 43 HA GLN 43 -11.583 0.272 -12.520 291 HB2 GLN 43 1HB GLN 43 -12.173 -2.043 -12.075 292 HB3 GLN 43 2HB GLN 43 -10.769 -2.229 -11.032 293 HG2 GLN 43 1HG GLN 43 -11.714 -1.066 -9.311 294 HG3 GLN 43 2HG GLN 43 -12.744 -0.111 -10.377 295 HE21 GLN 43 1HE2 GLN 43 -12.378 -3.607 -10.346 296 HE22 GLN 43 2HE2 GLN 43 -14.005 -3.959 -9.885 297 H ALA 44 H ALA 44 -8.311 -0.399 -11.847 298 HA ALA 44 HA ALA 44 -8.311 1.289 -9.449 299 HB1 ALA 44 3HB ALA 44 -6.237 0.383 -8.890 300 HB2 ALA 44 1HB ALA 44 -7.121 -0.981 -9.576 301 HB3 ALA 44 2HB ALA 44 -5.912 -0.137 -10.544 302 H CYS 45 H CYS 45 -6.472 0.940 -12.488 303 HA CYS 45 HA CYS 45 -4.953 3.218 -12.389 304 HB2 CYS 45 1HB CYS 45 -6.295 1.955 -14.786 305 HB3 CYS 45 2HB CYS 45 -5.056 3.201 -14.898 306 H LEU 46 H LEU 46 -8.334 2.921 -13.361 307 HA LEU 46 HA LEU 46 -8.695 5.544 -14.299 308 HB2 LEU 46 1HB LEU 46 -10.438 3.336 -13.399 309 HB3 LEU 46 2HB LEU 46 -11.145 4.950 -13.367 310 HG LEU 46 HG LEU 46 -9.829 3.903 -15.849 311 HD11 LEU 46 1HD1 LEU 46 -12.656 3.389 -14.941 312 HD12 LEU 46 2HD1 LEU 46 -11.408 2.187 -15.272 313 HD13 LEU 46 3HD1 LEU 46 -12.071 3.155 -16.589 314 HD21 LEU 46 3HD2 LEU 46 -12.032 5.899 -15.334 315 HD22 LEU 46 1HD2 LEU 46 -11.396 5.454 -16.918 316 HD23 LEU 46 2HD2 LEU 46 -10.359 6.275 -15.751 317 H THR 47 H THR 47 -9.206 4.131 -11.082 318 HA THR 47 HA THR 47 -10.176 6.460 -9.840 319 HB THR 47 HB THR 47 -8.688 4.129 -8.616 320 HG1 THR 47 1HG THR 47 -10.853 3.896 -9.751 321 HG21 THR 47 3HG2 THR 47 -9.998 6.533 -7.443 322 HG22 THR 47 1HG2 THR 47 -8.561 5.660 -6.912 323 HG23 THR 47 2HG2 THR 47 -10.163 4.994 -6.599 324 H ALA 48 H ALA 48 -6.893 5.085 -9.928 325 HA ALA 48 HA ALA 48 -5.646 7.097 -8.425 326 HB1 ALA 48 3HB ALA 48 -3.587 6.296 -9.850 327 HB2 ALA 48 1HB ALA 48 -4.316 5.246 -8.635 328 HB3 ALA 48 2HB ALA 48 -4.704 5.024 -10.342 329 H ASN 49 H ASN 49 -5.764 6.683 -11.968 330 HA ASN 49 HA ASN 49 -4.413 8.947 -12.737 331 HB2 ASN 49 1HB ASN 49 -5.486 7.051 -14.159 332 HB3 ASN 49 2HB ASN 49 -6.897 8.105 -14.203 333 HD21 ASN 49 1HD2 ASN 49 -6.872 9.914 -15.450 334 HD22 ASN 49 2HD2 ASN 49 -5.584 10.312 -16.531 335 H HIS 50 H HIS 50 -7.775 8.653 -11.721 336 HA HIS 50 HA HIS 50 -8.740 11.149 -12.426 337 HB2 HIS 50 1HB HIS 50 -9.376 9.492 -9.978 338 HB3 HIS 50 2HB HIS 50 -10.317 10.883 -10.507 339 HD2 HIS 50 2HD HIS 50 -10.320 9.963 -13.751 340 HE1 HIS 50 1HE HIS 50 -12.430 6.621 -12.209 341 HE2 HIS 50 2HE HIS 50 -11.795 7.905 -14.281 342 H LYS 51 H LYS 51 -7.011 10.203 -9.475 343 HA LYS 51 HA LYS 51 -7.109 12.716 -8.213 344 HB2 LYS 51 1HB LYS 51 -5.458 10.253 -7.912 345 HB3 LYS 51 2HB LYS 51 -4.889 11.724 -7.135 346 HG2 LYS 51 1HG LYS 51 -6.131 10.901 -5.435 347 HG3 LYS 51 2HG LYS 51 -7.406 11.779 -6.283 348 HD2 LYS 51 1HD LYS 51 -6.880 8.973 -7.101 349 HD3 LYS 51 2HD LYS 51 -7.682 9.240 -5.551 350 HE2 LYS 51 1HE LYS 51 -8.618 10.541 -8.094 351 HE3 LYS 51 2HE LYS 51 -9.171 8.943 -7.597 352 HZ1 LYS 51 3HZ LYS 51 -9.894 9.986 -5.475 353 HZ2 LYS 51 1HZ LYS 51 -10.740 10.532 -6.834 354 HZ3 LYS 51 2HZ LYS 51 -9.539 11.500 -6.140 355 H LYS 52 H LYS 52 -5.122 11.470 -10.758 356 HA LYS 52 HA LYS 52 -2.924 13.214 -10.537 357 HB2 LYS 52 1HB LYS 52 -3.410 11.099 -12.080 358 HB3 LYS 52 2HB LYS 52 -3.857 12.351 -13.232 359 HG2 LYS 52 1HG LYS 52 -1.196 12.036 -11.860 360 HG3 LYS 52 2HG LYS 52 -1.558 11.725 -13.559 361 HD2 LYS 52 1HD LYS 52 -1.922 14.418 -12.260 362 HD3 LYS 52 2HD LYS 52 -0.430 13.927 -13.065 363 HE2 LYS 52 1HE LYS 52 -3.129 13.880 -14.400 364 HE3 LYS 52 2HE LYS 52 -2.042 15.266 -14.466 365 HZ1 LYS 52 3HZ LYS 52 -0.856 14.294 -16.049 366 HZ2 LYS 52 1HZ LYS 52 -2.041 13.091 -16.145 367 HZ3 LYS 52 2HZ LYS 52 -0.687 12.866 -15.158 368 H SER 53 H SER 53 -5.723 13.411 -12.744 369 HA SER 53 HA SER 53 -5.145 15.971 -13.724 370 HB2 SER 53 1HB SER 53 -6.873 14.152 -14.518 371 HB3 SER 53 2HB SER 53 -7.982 15.041 -13.475 372 HG SER 53 HG SER 53 -7.919 16.711 -14.799 373 H MET 54 H MET 54 -6.729 14.916 -10.811 374 HA MET 54 HA MET 54 -8.261 17.006 -10.018 375 HB2 MET 54 1HB MET 54 -7.394 14.832 -8.759 376 HB3 MET 54 2HB MET 54 -6.305 15.992 -8.010 377 HG2 MET 54 1HG MET 54 -8.004 16.102 -6.525 378 HG3 MET 54 2HG MET 54 -8.564 17.325 -7.663 379 HE1 MET 54 3HE MET 54 -10.753 14.624 -9.873 380 HE2 MET 54 1HE MET 54 -10.109 16.264 -9.963 381 HE3 MET 54 2HE MET 54 -9.010 14.884 -9.948 382 H LEU 55 H LEU 55 -4.799 16.810 -9.167 383 HA LEU 55 HA LEU 55 -4.639 19.524 -8.379 384 HB2 LEU 55 1HB LEU 55 -2.182 19.143 -8.440 385 HB3 LEU 55 2HB LEU 55 -3.080 17.973 -7.476 386 HG LEU 55 HG LEU 55 -2.952 16.598 -9.756 387 HD11 LEU 55 1HD1 LEU 55 -0.359 17.090 -10.326 388 HD12 LEU 55 2HD1 LEU 55 -0.936 18.724 -10.001 389 HD13 LEU 55 3HD1 LEU 55 -1.716 17.744 -11.243 390 HD21 LEU 55 3HD2 LEU 55 -0.945 16.834 -7.539 391 HD22 LEU 55 1HD2 LEU 55 -0.775 15.634 -8.820 392 HD23 LEU 55 2HD2 LEU 55 -2.196 15.613 -7.775 393 H ASP 56 H ASP 56 -3.844 17.827 -11.372 394 HA ASP 56 HA ASP 56 -2.536 19.844 -12.746 395 HB2 ASP 56 1HB ASP 56 -3.086 17.374 -13.416 396 HB3 ASP 56 2HB ASP 56 -4.509 18.091 -14.169 397 H LYS 57 H LYS 57 -5.949 19.018 -13.345 398 HA LYS 57 HA LYS 57 -6.511 21.898 -13.599 399 HB2 LYS 57 1HB LYS 57 -8.191 21.225 -15.378 400 HB3 LYS 57 2HB LYS 57 -6.495 21.108 -15.831 401 HG2 LYS 57 1HG LYS 57 -6.522 18.727 -15.539 402 HG3 LYS 57 2HG LYS 57 -8.163 18.785 -14.892 403 HD2 LYS 57 1HD LYS 57 -8.623 18.211 -17.056 404 HD3 LYS 57 2HD LYS 57 -8.650 19.969 -17.206 405 HE2 LYS 57 1HE LYS 57 -6.055 18.569 -17.580 406 HE3 LYS 57 2HE LYS 57 -7.258 18.437 -18.862 407 HZ1 LYS 57 3HZ LYS 57 -7.164 20.673 -19.303 408 HZ2 LYS 57 1HZ LYS 57 -5.554 20.371 -18.880 409 HZ3 LYS 57 2HZ LYS 57 -6.603 21.083 -17.761 410 H GLY 58 H GLY 58 -7.780 18.679 -12.884 411 HA2 GLY 58 1HA GLY 58 -9.113 18.929 -10.659 412 HA3 GLY 58 2HA GLY 58 -10.170 19.889 -11.683 413 H GLU 59 H GLU 59 -11.907 18.809 -12.303 414 HA GLU 59 HA GLU 59 -12.431 16.148 -11.971 415 HB2 GLU 59 1HB GLU 59 -14.145 16.430 -13.808 416 HB3 GLU 59 2HB GLU 59 -14.234 17.599 -12.498 417 HG2 GLU 59 1HG GLU 59 -12.661 18.270 -14.935 418 HG3 GLU 59 2HG GLU 59 -14.421 18.357 -14.990 419 H SER 60 H SER 60 -11.394 14.423 -12.701 420 HA SER 60 HA SER 60 -9.575 14.408 -14.828 421 HB2 SER 60 1HB SER 60 -9.956 12.718 -12.845 422 HB3 SER 60 2HB SER 60 -10.980 11.889 -14.018 423 HG SER 60 HG SER 60 -8.434 12.688 -14.838 424 H SER 61 H SER 61 -9.912 12.511 -16.575 425 HA SER 61 HA SER 61 -12.462 12.184 -17.720 426 HB2 SER 61 1HB SER 61 -11.839 14.717 -18.103 427 HB3 SER 61 2HB SER 61 -10.847 14.060 -19.405 428 HG SER 61 HG SER 61 -12.875 12.925 -20.029 429 H CYS 62 H CYS 62 -12.428 10.869 -19.566 430 HA CYS 62 HA CYS 62 -10.745 8.858 -19.831 431 HB2 CYS 62 1HB CYS 62 -12.708 9.238 -21.306 432 HB3 CYS 62 2HB CYS 62 -11.748 10.372 -22.251 433 HA PRO 63 HA PRO 63 -6.790 10.883 -20.500 434 HB2 PRO 63 1HB PRO 63 -5.314 8.643 -20.086 435 HB3 PRO 63 2HB PRO 63 -5.986 9.608 -18.766 436 HG2 PRO 63 1HG PRO 63 -7.022 7.074 -19.978 437 HG3 PRO 63 2HG PRO 63 -6.918 7.536 -18.269 438 HD2 PRO 63 1HD PRO 63 -9.223 7.688 -19.683 439 HD3 PRO 63 2HD PRO 63 -8.832 8.818 -18.371 440 H VAL 64 H VAL 64 -8.558 8.969 -22.452 441 HA VAL 64 HA VAL 64 -6.376 8.475 -24.362 442 HB VAL 64 HB VAL 64 -9.177 7.340 -24.357 443 HG11 VAL 64 1HG1 VAL 64 -7.033 6.101 -25.957 444 HG12 VAL 64 2HG1 VAL 64 -8.745 6.324 -26.326 445 HG13 VAL 64 3HG1 VAL 64 -7.616 7.665 -26.527 446 HG21 VAL 64 3HG2 VAL 64 -8.237 5.292 -23.590 447 HG22 VAL 64 1HG2 VAL 64 -6.594 5.912 -23.758 448 HG23 VAL 64 2HG2 VAL 64 -7.659 6.561 -22.510 449 H CYS 65 H CYS 65 -9.697 9.729 -24.169 450 HA CYS 65 HA CYS 65 -9.100 11.406 -26.516 451 HB2 CYS 65 1HB CYS 65 -11.414 11.174 -27.248 452 HB3 CYS 65 2HB CYS 65 -10.660 9.588 -27.116 453 H ARG 66 H ARG 66 -10.396 11.142 -23.334 454 HA ARG 66 HA ARG 66 -11.189 12.662 -21.838 455 HB2 ARG 66 1HB ARG 66 -9.553 14.419 -23.656 456 HB3 ARG 66 2HB ARG 66 -10.394 15.071 -22.256 457 HG2 ARG 66 1HG ARG 66 -8.312 14.677 -21.388 458 HG3 ARG 66 2HG ARG 66 -9.141 13.175 -20.976 459 HD2 ARG 66 1HD ARG 66 -7.240 12.310 -21.889 460 HD3 ARG 66 2HD ARG 66 -8.221 12.446 -23.348 461 HE ARG 66 HE ARG 66 -6.580 14.750 -22.751 462 HH11 ARG 66 1HH1 ARG 66 -6.825 11.707 -24.423 463 HH12 ARG 66 2HH1 ARG 66 -5.595 12.095 -25.580 464 HH21 ARG 66 1HH2 ARG 66 -4.959 15.273 -24.269 465 HH22 ARG 66 2HH2 ARG 66 -4.534 14.123 -25.491 466 H ILE 67 H ILE 67 -13.154 11.902 -23.424 467 HA ILE 67 HA ILE 67 -14.439 14.261 -24.571 468 HB ILE 67 HB ILE 67 -14.474 12.180 -25.880 469 HG12 ILE 67 1HG1 ILE 67 -17.247 12.882 -24.899 470 HG13 ILE 67 2HG1 ILE 67 -16.319 13.886 -26.008 471 HG21 ILE 67 1HG2 ILE 67 -15.908 10.307 -25.123 472 HG22 ILE 67 2HG2 ILE 67 -14.486 10.550 -24.110 473 HG23 ILE 67 3HG2 ILE 67 -16.067 11.104 -23.558 474 HD11 ILE 67 3HD1 ILE 67 -17.985 12.453 -27.125 475 HD12 ILE 67 1HD1 ILE 67 -16.334 12.153 -27.667 476 HD13 ILE 67 2HD1 ILE 67 -17.112 11.035 -26.546 477 H SER 68 H SER 68 -14.940 11.837 -22.045 478 HA SER 68 HA SER 68 -16.324 13.626 -20.358 479 HB2 SER 68 1HB SER 68 -18.052 13.067 -22.205 480 HB3 SER 68 2HB SER 68 -18.151 11.487 -21.428 481 HG SER 68 HG SER 68 -18.299 13.519 -19.630 482 H TYR 69 H TYR 69 -17.000 12.630 -18.351 483 HA TYR 69 HA TYR 69 -16.541 9.856 -17.860 484 HB2 TYR 69 1HB TYR 69 -14.274 10.106 -17.720 485 HB3 TYR 69 2HB TYR 69 -14.378 11.816 -17.319 486 HD1 TYR 69 1HD TYR 69 -15.503 8.612 -15.739 487 HD2 TYR 69 2HD TYR 69 -13.504 12.337 -15.258 488 HE1 TYR 69 1HE TYR 69 -15.087 8.077 -13.375 489 HE2 TYR 69 2HE TYR 69 -13.081 11.811 -12.893 490 HH TYR 69 HH TYR 69 -12.878 9.614 -11.503 491 H GLN 70 H GLN 70 -18.029 9.376 -16.401 492 HA GLN 70 HA GLN 70 -18.507 11.257 -14.191 493 HB2 GLN 70 1HB GLN 70 -20.479 10.010 -16.056 494 HB3 GLN 70 2HB GLN 70 -20.954 10.288 -14.386 495 HG2 GLN 70 1HG GLN 70 -21.661 12.138 -15.738 496 HG3 GLN 70 2HG GLN 70 -20.382 12.667 -14.646 497 HE21 GLN 70 1HE2 GLN 70 -19.989 14.438 -16.025 498 HE22 GLN 70 2HE2 GLN 70 -19.105 14.246 -17.497 499 HA PRO 71 HA PRO 71 -17.499 7.307 -12.214 500 HB2 PRO 71 1HB PRO 71 -16.829 8.431 -9.836 501 HB3 PRO 71 2HB PRO 71 -15.721 8.361 -11.212 502 HG2 PRO 71 1HG PRO 71 -17.430 10.631 -10.269 503 HG3 PRO 71 2HG PRO 71 -15.748 10.655 -10.828 504 HD2 PRO 71 1HD PRO 71 -17.819 11.388 -12.410 505 HD3 PRO 71 2HD PRO 71 -16.354 10.617 -13.052 506 H GLU 72 H GLU 72 -20.047 9.384 -11.951 507 HA GLU 72 HA GLU 72 -21.150 8.464 -9.458 508 HB2 GLU 72 1HB GLU 72 -22.191 10.169 -11.707 509 HB3 GLU 72 2HB GLU 72 -23.242 9.639 -10.401 510 HG2 GLU 72 1HG GLU 72 -21.821 10.747 -8.776 511 HG3 GLU 72 2HG GLU 72 -20.717 11.240 -10.059 512 H ASN 73 H ASN 73 -21.649 7.788 -12.889 513 HA ASN 73 HA ASN 73 -23.615 5.727 -12.215 514 HB2 ASN 73 1HB ASN 73 -24.227 5.718 -14.522 515 HB3 ASN 73 2HB ASN 73 -24.051 7.407 -14.056 516 HD21 ASN 73 1HD2 ASN 73 -22.304 8.592 -14.829 517 HD22 ASN 73 2HD2 ASN 73 -21.364 8.062 -16.179 518 H ILE 74 H ILE 74 -20.588 6.116 -14.039 519 HA ILE 74 HA ILE 74 -20.038 3.712 -15.038 520 HB ILE 74 HB ILE 74 -18.126 5.290 -13.314 521 HG12 ILE 74 1HG1 ILE 74 -18.319 5.231 -16.324 522 HG13 ILE 74 2HG1 ILE 74 -19.206 6.396 -15.347 523 HG21 ILE 74 1HG2 ILE 74 -16.395 4.117 -14.758 524 HG22 ILE 74 2HG2 ILE 74 -17.175 3.148 -13.508 525 HG23 ILE 74 3HG2 ILE 74 -17.679 2.988 -15.191 526 HD11 ILE 74 3HD1 ILE 74 -17.427 7.695 -15.193 527 HD12 ILE 74 1HD1 ILE 74 -16.443 6.364 -14.583 528 HD13 ILE 74 2HD1 ILE 74 -16.604 6.618 -16.321 529 H ARG 75 H ARG 75 -19.433 1.674 -14.403 530 HA ARG 75 HA ARG 75 -18.810 0.968 -11.724 531 HB2 ARG 75 1HB ARG 75 -20.790 -0.277 -11.133 532 HB3 ARG 75 2HB ARG 75 -21.248 1.383 -11.489 533 HG2 ARG 75 1HG ARG 75 -21.722 0.447 -13.874 534 HG3 ARG 75 2HG ARG 75 -21.792 -1.105 -13.036 535 HD2 ARG 75 1HD ARG 75 -23.312 1.178 -11.891 536 HD3 ARG 75 2HD ARG 75 -23.936 0.419 -13.354 537 HE ARG 75 HE ARG 75 -23.510 -1.703 -11.785 538 HH11 ARG 75 1HH1 ARG 75 -25.076 1.344 -11.167 539 HH12 ARG 75 2HH1 ARG 75 -26.173 0.692 -9.995 540 HH21 ARG 75 1HH2 ARG 75 -24.949 -2.574 -10.244 541 HH22 ARG 75 2HH2 ARG 75 -26.099 -1.537 -9.471 542 HA PRO 76 HA PRO 76 -17.140 -2.478 -13.884 543 HB2 PRO 76 1HB PRO 76 -16.853 -4.220 -11.823 544 HB3 PRO 76 2HB PRO 76 -15.811 -2.809 -12.040 545 HG2 PRO 76 1HG PRO 76 -18.175 -3.159 -10.237 546 HG3 PRO 76 2HG PRO 76 -16.611 -2.397 -9.896 547 HD2 PRO 76 1HD PRO 76 -18.835 -0.964 -10.473 548 HD3 PRO 76 2HD PRO 76 -17.206 -0.423 -10.927 549 H ASN 77 H ASN 77 -20.239 -2.367 -12.786 550 HA ASN 77 HA ASN 77 -20.806 -5.119 -13.674 551 HB2 ASN 77 1HB ASN 77 -22.713 -3.551 -11.969 552 HB3 ASN 77 2HB ASN 77 -22.554 -5.297 -12.139 553 HD21 ASN 77 1HD2 ASN 77 -19.952 -5.757 -11.685 554 HD22 ASN 77 2HD2 ASN 77 -19.514 -5.275 -10.085 555 H ARG 78 H ARG 78 -21.365 -4.936 -15.762 556 HA ARG 78 HA ARG 78 -23.350 -2.880 -16.480 557 HB2 ARG 78 1HB ARG 78 -22.504 -3.185 -18.824 558 HB3 ARG 78 2HB ARG 78 -21.336 -2.494 -17.706 559 HG2 ARG 78 1HG ARG 78 -21.306 -5.434 -18.052 560 HG3 ARG 78 2HG ARG 78 -20.722 -4.447 -19.393 561 HD2 ARG 78 1HD ARG 78 -19.168 -3.317 -17.867 562 HD3 ARG 78 2HD ARG 78 -19.744 -4.327 -16.542 563 HE ARG 78 HE ARG 78 -18.941 -6.192 -18.229 564 HH11 ARG 78 1HH1 ARG 78 -17.402 -3.194 -17.356 565 HH12 ARG 78 2HH1 ARG 78 -15.797 -3.793 -17.611 566 HH21 ARG 78 1HH2 ARG 78 -16.833 -6.993 -18.568 567 HH22 ARG 78 2HH2 ARG 78 -15.474 -5.954 -18.301 568 H HIS 79 H HIS 79 -24.952 -4.429 -15.641 569 HA HIS 79 HA HIS 79 -26.470 -6.130 -15.840 570 HB2 HIS 79 1HB HIS 79 -27.352 -6.368 -18.217 571 HB3 HIS 79 2HB HIS 79 -27.401 -4.749 -17.526 572 HD2 HIS 79 2HD HIS 79 -25.680 -6.679 -20.420 573 HE1 HIS 79 1HE HIS 79 -24.495 -2.612 -20.651 574 HE2 HIS 79 2HE HIS 79 -24.541 -4.836 -21.833 575 H VAL 80 H VAL 80 -24.146 -7.300 -15.384 576 HA VAL 80 HA VAL 80 -23.859 -9.410 -17.418 577 HB VAL 80 HB VAL 80 -21.681 -9.915 -16.314 578 HG11 VAL 80 1HG1 VAL 80 -22.281 -7.324 -17.648 579 HG12 VAL 80 2HG1 VAL 80 -20.652 -7.596 -17.026 580 HG13 VAL 80 3HG1 VAL 80 -21.337 -8.698 -18.221 581 HG21 VAL 80 3HG2 VAL 80 -22.165 -8.996 -14.111 582 HG22 VAL 80 1HG2 VAL 80 -20.720 -8.250 -14.793 583 HG23 VAL 80 2HG2 VAL 80 -22.249 -7.372 -14.792 584 H ALA 81 H ALA 81 -23.112 -11.559 -16.400 585 HA ALA 81 HA ALA 81 -24.766 -12.104 -14.020 586 HB1 ALA 81 3HB ALA 81 -25.463 -14.153 -14.914 587 HB2 ALA 81 1HB ALA 81 -25.577 -13.021 -16.262 588 HB3 ALA 81 2HB ALA 81 -24.215 -14.136 -16.159 589 H ASN 82 H ASN 82 -23.467 -12.450 -12.342 590 HA ASN 82 HA ASN 82 -21.583 -14.579 -12.346 591 HB2 ASN 82 1HB ASN 82 -19.559 -13.256 -11.863 592 HB3 ASN 82 2HB ASN 82 -20.179 -12.930 -13.479 593 HD21 ASN 82 1HD2 ASN 82 -18.500 -11.343 -11.613 594 HD22 ASN 82 2HD2 ASN 82 -19.305 -9.821 -11.471 595 H ILE 83 H ILE 83 -20.544 -14.854 -10.221 596 HA ILE 83 HA ILE 83 -22.249 -13.739 -8.102 597 HB ILE 83 HB ILE 83 -21.569 -15.647 -6.735 598 HG12 ILE 83 1HG1 ILE 83 -20.137 -16.703 -9.175 599 HG13 ILE 83 2HG1 ILE 83 -19.309 -15.879 -7.859 600 HG21 ILE 83 1HG2 ILE 83 -23.223 -16.867 -7.596 601 HG22 ILE 83 2HG2 ILE 83 -23.281 -15.680 -8.898 602 HG23 ILE 83 3HG2 ILE 83 -22.336 -17.157 -9.092 603 HD11 ILE 83 3HD1 ILE 83 -20.769 -17.799 -6.555 604 HD12 ILE 83 1HD1 ILE 83 -20.274 -18.611 -8.040 605 HD13 ILE 83 2HD1 ILE 83 -19.060 -17.901 -6.975 606 H VAL 84 H VAL 84 -21.070 -13.687 -5.899 607 HA VAL 84 HA VAL 84 -19.103 -11.712 -5.981 608 HB VAL 84 HB VAL 84 -19.717 -13.636 -3.734 609 HG11 VAL 84 1HG1 VAL 84 -18.849 -11.405 -2.512 610 HG12 VAL 84 2HG1 VAL 84 -17.799 -12.765 -2.916 611 HG13 VAL 84 3HG1 VAL 84 -17.863 -11.354 -3.973 612 HG21 VAL 84 3HG2 VAL 84 -21.571 -12.136 -4.685 613 HG22 VAL 84 1HG2 VAL 84 -21.286 -12.095 -2.945 614 HG23 VAL 84 2HG2 VAL 84 -20.668 -10.800 -3.971 615 H GLU 85 H GLU 85 -16.941 -11.729 -6.130 616 HA GLU 85 HA GLU 85 -15.609 -14.198 -6.758 617 HB2 GLU 85 1HB GLU 85 -15.054 -12.136 -7.957 618 HB3 GLU 85 2HB GLU 85 -14.521 -11.394 -6.455 619 HG2 GLU 85 1HG GLU 85 -12.716 -12.263 -7.982 620 HG3 GLU 85 2HG GLU 85 -12.643 -12.794 -6.303 Start of MODEL 6 1 H1 GLY 1 H GLY 1 21.762 -18.674 2.120 2 HA2 GLY 1 1HA GLY 1 22.651 -17.046 -0.181 3 HA3 GLY 1 2HA GLY 1 23.644 -18.286 0.570 4 H SER 2 H SER 2 20.312 -18.099 -0.692 5 HA SER 2 HA SER 2 20.932 -20.341 -2.475 6 HB2 SER 2 1HB SER 2 19.757 -21.005 -0.229 7 HB3 SER 2 2HB SER 2 18.318 -20.343 -1.003 8 HG SER 2 HG SER 2 18.188 -22.144 -2.054 9 H SER 3 H SER 3 19.990 -20.215 -4.442 10 HA SER 3 HA SER 3 18.330 -17.852 -4.955 11 HB2 SER 3 1HB SER 3 19.827 -19.622 -6.904 12 HB3 SER 3 2HB SER 3 18.961 -18.140 -7.310 13 HG SER 3 HG SER 3 20.466 -16.958 -6.257 14 H GLY 4 H GLY 4 16.394 -17.979 -6.111 15 HA2 GLY 4 1HA GLY 4 15.355 -20.596 -6.846 16 HA3 GLY 4 2HA GLY 4 14.525 -19.791 -5.523 17 H SER 5 H SER 5 15.737 -18.984 -8.780 18 HA SER 5 HA SER 5 13.152 -17.662 -9.288 19 HB2 SER 5 1HB SER 5 15.944 -16.732 -9.862 20 HB3 SER 5 2HB SER 5 14.626 -16.229 -10.922 21 HG SER 5 HG SER 5 15.283 -15.049 -8.762 22 H SER 6 H SER 6 12.104 -19.056 -10.570 23 HA SER 6 HA SER 6 13.079 -19.536 -13.216 24 HB2 SER 6 1HB SER 6 13.096 -21.748 -11.191 25 HB3 SER 6 2HB SER 6 12.742 -22.113 -12.879 26 HG SER 6 HG SER 6 14.764 -21.770 -13.377 27 H GLY 7 H GLY 7 11.458 -20.189 -14.634 28 HA2 GLY 7 1HA GLY 7 8.810 -19.548 -13.867 29 HA3 GLY 7 2HA GLY 7 9.293 -20.262 -15.398 30 H MET 8 H MET 8 8.082 -22.000 -15.749 31 HA MET 8 HA MET 8 7.970 -24.051 -13.663 32 HB2 MET 8 1HB MET 8 5.625 -22.757 -15.016 33 HB3 MET 8 2HB MET 8 5.519 -24.424 -14.465 34 HG2 MET 8 1HG MET 8 6.388 -23.422 -12.214 35 HG3 MET 8 2HG MET 8 5.766 -21.915 -12.883 36 HE1 MET 8 3HE MET 8 3.491 -23.065 -10.100 37 HE2 MET 8 1HE MET 8 4.778 -21.999 -10.665 38 HE3 MET 8 2HE MET 8 3.102 -21.668 -11.105 39 H ALA 9 H ALA 9 7.093 -26.151 -14.577 40 HA ALA 9 HA ALA 9 8.548 -26.760 -16.976 41 HB1 ALA 9 3HB ALA 9 7.358 -29.059 -16.537 42 HB2 ALA 9 1HB ALA 9 8.678 -28.511 -15.504 43 HB3 ALA 9 2HB ALA 9 7.007 -28.332 -14.969 44 H SER 10 H SER 10 7.419 -25.422 -18.497 45 HA SER 10 HA SER 10 5.284 -26.826 -19.813 46 HB2 SER 10 1HB SER 10 4.770 -24.220 -18.401 47 HB3 SER 10 2HB SER 10 3.840 -24.674 -19.829 48 HG SER 10 HG SER 10 2.984 -26.362 -18.753 49 H GLY 11 H GLY 11 4.981 -26.165 -21.958 50 HA2 GLY 11 1HA GLY 11 7.179 -24.523 -22.989 51 HA3 GLY 11 2HA GLY 11 6.199 -25.642 -23.924 52 H ILE 12 H ILE 12 5.613 -22.763 -21.898 53 HA ILE 12 HA ILE 12 3.805 -21.782 -24.005 54 HB ILE 12 HB ILE 12 2.823 -20.334 -22.234 55 HG12 ILE 12 1HG1 ILE 12 4.343 -22.060 -20.280 56 HG13 ILE 12 2HG1 ILE 12 4.911 -20.471 -20.778 57 HG21 ILE 12 1HG2 ILE 12 2.774 -23.313 -21.780 58 HG22 ILE 12 2HG2 ILE 12 1.630 -22.178 -21.065 59 HG23 ILE 12 3HG2 ILE 12 1.701 -22.372 -22.816 60 HD11 ILE 12 3HD1 ILE 12 2.152 -20.780 -19.695 61 HD12 ILE 12 1HD1 ILE 12 3.533 -20.741 -18.599 62 HD13 ILE 12 2HD1 ILE 12 3.220 -19.377 -19.672 63 H LEU 13 H LEU 13 4.101 -19.798 -24.896 64 HA LEU 13 HA LEU 13 6.199 -18.067 -23.803 65 HB2 LEU 13 1HB LEU 13 6.052 -19.208 -26.568 66 HB3 LEU 13 2HB LEU 13 6.838 -17.658 -26.276 67 HG LEU 13 HG LEU 13 8.379 -18.803 -24.694 68 HD11 LEU 13 1HD1 LEU 13 6.547 -20.982 -25.173 69 HD12 LEU 13 2HD1 LEU 13 7.789 -20.804 -23.934 70 HD13 LEU 13 3HD1 LEU 13 8.212 -21.450 -25.519 71 HD21 LEU 13 3HD2 LEU 13 8.477 -18.656 -27.426 72 HD22 LEU 13 1HD2 LEU 13 8.792 -20.366 -27.127 73 HD23 LEU 13 2HD2 LEU 13 9.813 -19.137 -26.378 74 H VAL 14 H VAL 14 6.153 -15.870 -24.777 75 HA VAL 14 HA VAL 14 3.399 -15.119 -25.516 76 HB VAL 14 HB VAL 14 5.417 -13.503 -23.953 77 HG11 VAL 14 1HG1 VAL 14 3.020 -12.232 -23.688 78 HG12 VAL 14 2HG1 VAL 14 4.294 -11.764 -24.816 79 HG13 VAL 14 3HG1 VAL 14 2.956 -12.775 -25.364 80 HG21 VAL 14 3HG2 VAL 14 3.698 -15.506 -23.081 81 HG22 VAL 14 1HG2 VAL 14 4.500 -14.293 -22.083 82 HG23 VAL 14 2HG2 VAL 14 2.867 -14.002 -22.681 83 H ASN 15 H ASN 15 3.144 -14.198 -27.438 84 HA ASN 15 HA ASN 15 5.527 -13.134 -28.802 85 HB2 ASN 15 1HB ASN 15 3.026 -14.449 -29.847 86 HB3 ASN 15 2HB ASN 15 4.066 -13.486 -30.893 87 HD21 ASN 15 1HD2 ASN 15 3.537 -16.504 -29.484 88 HD22 ASN 15 2HD2 ASN 15 5.011 -17.264 -29.968 89 H VAL 16 H VAL 16 2.015 -12.619 -28.507 90 HA VAL 16 HA VAL 16 2.499 -9.744 -28.952 91 HB VAL 16 HB VAL 16 0.390 -9.524 -30.047 92 HG11 VAL 16 1HG1 VAL 16 2.443 -10.625 -31.234 93 HG12 VAL 16 2HG1 VAL 16 1.393 -12.042 -31.296 94 HG13 VAL 16 3HG1 VAL 16 0.885 -10.532 -32.055 95 HG21 VAL 16 3HG2 VAL 16 -1.313 -10.835 -29.481 96 HG22 VAL 16 1HG2 VAL 16 -0.558 -12.153 -30.376 97 HG23 VAL 16 2HG2 VAL 16 -0.225 -11.951 -28.656 98 H LYS 17 H LYS 17 0.719 -8.358 -28.026 99 HA LYS 17 HA LYS 17 0.460 -8.910 -25.251 100 HB2 LYS 17 1HB LYS 17 -0.898 -6.823 -25.211 101 HB3 LYS 17 2HB LYS 17 0.666 -6.627 -25.991 102 HG2 LYS 17 1HG LYS 17 -0.726 -5.493 -27.423 103 HG3 LYS 17 2HG LYS 17 -0.658 -7.088 -28.177 104 HD2 LYS 17 1HD LYS 17 -2.776 -7.686 -27.125 105 HD3 LYS 17 2HD LYS 17 -2.836 -6.113 -26.327 106 HE2 LYS 17 1HE LYS 17 -2.634 -6.335 -29.311 107 HE3 LYS 17 2HE LYS 17 -4.191 -6.458 -28.494 108 HZ1 LYS 17 3HZ LYS 17 -2.363 -4.149 -28.641 109 HZ2 LYS 17 1HZ LYS 17 -3.493 -4.270 -27.388 110 HZ3 LYS 17 2HZ LYS 17 -4.016 -4.221 -28.996 111 H GLU 18 H GLU 18 -1.771 -8.591 -24.171 112 HA GLU 18 HA GLU 18 -3.436 -10.747 -25.040 113 HB2 GLU 18 1HB GLU 18 -3.930 -8.708 -22.864 114 HB3 GLU 18 2HB GLU 18 -4.795 -10.223 -23.078 115 HG2 GLU 18 1HG GLU 18 -1.845 -10.326 -22.774 116 HG3 GLU 18 2HG GLU 18 -2.824 -9.979 -21.350 117 H GLU 19 H GLU 19 -5.600 -10.664 -25.712 118 HA GLU 19 HA GLU 19 -6.367 -9.116 -27.726 119 HB2 GLU 19 1HB GLU 19 -8.747 -9.420 -27.024 120 HB3 GLU 19 2HB GLU 19 -7.794 -10.897 -26.990 121 HG2 GLU 19 1HG GLU 19 -7.571 -10.744 -24.591 122 HG3 GLU 19 2HG GLU 19 -8.422 -9.200 -24.586 123 H VAL 20 H VAL 20 -6.777 -8.196 -24.328 124 HA VAL 20 HA VAL 20 -7.107 -5.407 -25.212 125 HB VAL 20 HB VAL 20 -8.521 -6.570 -22.815 126 HG11 VAL 20 1HG1 VAL 20 -9.654 -4.526 -22.671 127 HG12 VAL 20 2HG1 VAL 20 -7.981 -4.076 -23.005 128 HG13 VAL 20 3HG1 VAL 20 -9.179 -4.046 -24.300 129 HG21 VAL 20 3HG2 VAL 20 -9.950 -7.539 -24.222 130 HG22 VAL 20 1HG2 VAL 20 -10.434 -5.919 -24.723 131 HG23 VAL 20 2HG2 VAL 20 -9.187 -6.784 -25.622 132 H THR 21 H THR 21 -5.564 -4.142 -24.436 133 HA THR 21 HA THR 21 -4.252 -4.906 -21.908 134 HB THR 21 HB THR 21 -2.998 -3.372 -24.192 135 HG1 THR 21 1HG THR 21 -3.091 -6.105 -23.555 136 HG21 THR 21 3HG2 THR 21 -2.146 -4.098 -21.456 137 HG22 THR 21 1HG2 THR 21 -1.671 -2.734 -22.467 138 HG23 THR 21 2HG2 THR 21 -0.947 -4.321 -22.731 139 H CYS 22 H CYS 22 -3.771 -3.299 -20.420 140 HA CYS 22 HA CYS 22 -5.493 -1.002 -20.494 141 HB2 CYS 22 1HB CYS 22 -5.090 -2.214 -18.398 142 HB3 CYS 22 2HB CYS 22 -3.380 -1.805 -18.483 143 HA PRO 23 HA PRO 23 -2.548 1.671 -22.466 144 HB2 PRO 23 1HB PRO 23 -3.972 3.964 -22.168 145 HB3 PRO 23 2HB PRO 23 -4.369 2.737 -23.377 146 HG2 PRO 23 1HG PRO 23 -5.598 3.215 -20.690 147 HG3 PRO 23 2HG PRO 23 -6.390 2.847 -22.233 148 HD2 PRO 23 1HD PRO 23 -5.973 0.971 -20.325 149 HD3 PRO 23 2HD PRO 23 -5.960 0.590 -22.059 150 H ILE 24 H ILE 24 -3.252 1.468 -19.226 151 HA ILE 24 HA ILE 24 -1.569 3.771 -18.516 152 HB ILE 24 HB ILE 24 -3.534 2.157 -16.904 153 HG12 ILE 24 1HG1 ILE 24 -3.414 5.145 -17.101 154 HG13 ILE 24 2HG1 ILE 24 -4.102 4.216 -18.429 155 HG21 ILE 24 1HG2 ILE 24 -1.515 2.506 -15.559 156 HG22 ILE 24 2HG2 ILE 24 -1.612 4.238 -15.871 157 HG23 ILE 24 3HG2 ILE 24 -2.879 3.437 -14.942 158 HD11 ILE 24 3HD1 ILE 24 -5.958 4.710 -17.178 159 HD12 ILE 24 1HD1 ILE 24 -5.529 3.116 -16.558 160 HD13 ILE 24 2HD1 ILE 24 -5.099 4.563 -15.645 161 H CYS 25 H CYS 25 -2.139 0.615 -16.971 162 HA CYS 25 HA CYS 25 0.587 0.443 -16.112 163 HB2 CYS 25 1HB CYS 25 -0.090 -1.788 -15.245 164 HB3 CYS 25 2HB CYS 25 -1.153 -0.490 -14.713 165 H LEU 26 H LEU 26 -1.110 -0.470 -18.929 166 HA LEU 26 HA LEU 26 -0.577 -1.702 -20.770 167 HB2 LEU 26 1HB LEU 26 2.286 -1.235 -19.988 168 HB3 LEU 26 2HB LEU 26 1.618 -1.437 -21.606 169 HG LEU 26 HG LEU 26 1.098 0.942 -19.825 170 HD11 LEU 26 1HD1 LEU 26 2.551 1.877 -21.907 171 HD12 LEU 26 2HD1 LEU 26 3.296 0.298 -21.663 172 HD13 LEU 26 3HD1 LEU 26 3.224 1.454 -20.333 173 HD21 LEU 26 3HD2 LEU 26 -0.004 0.007 -22.350 174 HD22 LEU 26 1HD2 LEU 26 0.661 1.638 -22.454 175 HD23 LEU 26 2HD2 LEU 26 -0.582 1.267 -21.258 176 H GLU 27 H GLU 27 -1.044 -3.232 -18.456 177 HA GLU 27 HA GLU 27 0.913 -5.414 -18.698 178 HB2 GLU 27 1HB GLU 27 -1.022 -4.674 -16.511 179 HB3 GLU 27 2HB GLU 27 -0.240 -6.247 -16.572 180 HG2 GLU 27 1HG GLU 27 1.476 -3.834 -16.746 181 HG3 GLU 27 2HG GLU 27 0.759 -4.236 -15.187 182 H LEU 28 H LEU 28 -2.550 -5.250 -17.876 183 HA LEU 28 HA LEU 28 -3.405 -6.685 -20.166 184 HB2 LEU 28 1HB LEU 28 -2.439 -8.614 -19.260 185 HB3 LEU 28 2HB LEU 28 -2.943 -8.203 -17.623 186 HG LEU 28 HG LEU 28 -5.261 -8.727 -18.201 187 HD11 LEU 28 1HD1 LEU 28 -4.852 -10.144 -20.641 188 HD12 LEU 28 2HD1 LEU 28 -4.316 -8.477 -20.848 189 HD13 LEU 28 3HD1 LEU 28 -5.959 -8.813 -20.301 190 HD21 LEU 28 3HD2 LEU 28 -3.271 -10.485 -17.674 191 HD22 LEU 28 1HD2 LEU 28 -3.911 -11.148 -19.178 192 HD23 LEU 28 2HD2 LEU 28 -4.976 -10.919 -17.791 193 H LEU 29 H LEU 29 -5.643 -6.786 -20.325 194 HA LEU 29 HA LEU 29 -7.136 -5.592 -18.082 195 HB2 LEU 29 1HB LEU 29 -7.163 -4.965 -20.994 196 HB3 LEU 29 2HB LEU 29 -8.658 -4.796 -20.076 197 HG LEU 29 HG LEU 29 -6.092 -3.261 -19.773 198 HD11 LEU 29 1HD1 LEU 29 -8.964 -2.467 -20.230 199 HD12 LEU 29 2HD1 LEU 29 -7.650 -2.402 -21.404 200 HD13 LEU 29 3HD1 LEU 29 -7.625 -1.344 -19.994 201 HD21 LEU 29 3HD2 LEU 29 -7.522 -2.160 -17.860 202 HD22 LEU 29 1HD2 LEU 29 -6.504 -3.564 -17.541 203 HD23 LEU 29 2HD2 LEU 29 -8.241 -3.769 -17.774 204 H THR 30 H THR 30 -8.084 -7.379 -17.244 205 HA THR 30 HA THR 30 -9.419 -9.266 -19.034 206 HB THR 30 HB THR 30 -8.010 -10.203 -17.251 207 HG1 THR 30 1HG THR 30 -9.965 -11.297 -17.978 208 HG21 THR 30 3HG2 THR 30 -10.016 -9.280 -15.224 209 HG22 THR 30 1HG2 THR 30 -8.643 -8.260 -15.651 210 HG23 THR 30 2HG2 THR 30 -8.372 -9.867 -14.977 211 H GLN 31 H GLN 31 -10.156 -7.245 -16.200 212 HA GLN 31 HA GLN 31 -12.970 -7.233 -17.061 213 HB2 GLN 31 1HB GLN 31 -11.809 -7.766 -14.367 214 HB3 GLN 31 2HB GLN 31 -13.328 -6.885 -14.456 215 HG2 GLN 31 1HG GLN 31 -14.216 -8.766 -15.862 216 HG3 GLN 31 2HG GLN 31 -12.748 -9.655 -15.461 217 HE21 GLN 31 1HE2 GLN 31 -15.331 -7.819 -13.865 218 HE22 GLN 31 2HE2 GLN 31 -15.498 -8.892 -12.522 219 HA PRO 32 HA PRO 32 -11.101 -2.938 -16.507 220 HB2 PRO 32 1HB PRO 32 -11.410 -2.132 -19.081 221 HB3 PRO 32 2HB PRO 32 -9.957 -2.952 -18.499 222 HG2 PRO 32 1HG PRO 32 -12.299 -4.076 -19.987 223 HG3 PRO 32 2HG PRO 32 -10.569 -4.387 -20.224 224 HD2 PRO 32 1HD PRO 32 -12.186 -6.095 -18.883 225 HD3 PRO 32 2HD PRO 32 -10.471 -5.886 -18.476 226 H LEU 33 H LEU 33 -12.223 -0.839 -17.179 227 HA LEU 33 HA LEU 33 -15.118 -1.231 -16.899 228 HB2 LEU 33 1HB LEU 33 -13.564 1.307 -16.457 229 HB3 LEU 33 2HB LEU 33 -15.219 0.958 -15.961 230 HG LEU 33 HG LEU 33 -12.690 -0.206 -14.803 231 HD11 LEU 33 1HD1 LEU 33 -13.132 2.042 -14.048 232 HD12 LEU 33 2HD1 LEU 33 -13.490 0.904 -12.750 233 HD13 LEU 33 3HD1 LEU 33 -14.805 1.624 -13.678 234 HD21 LEU 33 3HD2 LEU 33 -15.337 -1.294 -14.893 235 HD22 LEU 33 1HD2 LEU 33 -14.925 -0.865 -13.233 236 HD23 LEU 33 2HD2 LEU 33 -13.883 -1.957 -14.146 237 H SER 34 H SER 34 -16.458 0.581 -17.904 238 HA SER 34 HA SER 34 -15.449 1.110 -20.622 239 HB2 SER 34 1HB SER 34 -17.282 -0.464 -20.709 240 HB3 SER 34 2HB SER 34 -18.275 0.570 -19.683 241 HG SER 34 HG SER 34 -18.887 1.547 -21.425 242 H LEU 35 H LEU 35 -16.229 3.061 -21.660 243 HA LEU 35 HA LEU 35 -17.222 5.137 -19.852 244 HB2 LEU 35 1HB LEU 35 -14.828 5.538 -21.636 245 HB3 LEU 35 2HB LEU 35 -15.532 6.711 -20.525 246 HG LEU 35 HG LEU 35 -14.305 4.128 -19.588 247 HD11 LEU 35 1HD1 LEU 35 -12.460 5.952 -18.929 248 HD12 LEU 35 2HD1 LEU 35 -13.018 6.639 -20.455 249 HD13 LEU 35 3HD1 LEU 35 -12.387 4.993 -20.408 250 HD21 LEU 35 3HD2 LEU 35 -15.852 5.324 -18.070 251 HD22 LEU 35 1HD2 LEU 35 -14.809 6.742 -18.173 252 HD23 LEU 35 2HD2 LEU 35 -14.199 5.249 -17.458 253 H ASP 36 H ASP 36 -17.550 7.245 -21.213 254 HA ASP 36 HA ASP 36 -19.178 6.467 -23.496 255 HB2 ASP 36 1HB ASP 36 -20.106 8.714 -23.366 256 HB3 ASP 36 2HB ASP 36 -20.117 7.969 -21.770 257 H CYS 37 H CYS 37 -16.128 6.698 -23.437 258 HA CYS 37 HA CYS 37 -15.852 8.564 -25.700 259 HB2 CYS 37 1HB CYS 37 -13.584 8.922 -25.097 260 HB3 CYS 37 2HB CYS 37 -14.503 9.024 -23.598 261 H GLY 38 H GLY 38 -15.064 5.352 -24.480 262 HA2 GLY 38 1HA GLY 38 -15.219 3.504 -26.071 263 HA3 GLY 38 2HA GLY 38 -14.459 4.553 -27.259 264 H HIS 39 H HIS 39 -13.560 3.983 -23.876 265 HA HIS 39 HA HIS 39 -11.207 2.486 -24.708 266 HB2 HIS 39 1HB HIS 39 -11.046 5.124 -23.240 267 HB3 HIS 39 2HB HIS 39 -9.708 3.986 -23.368 268 HD2 HIS 39 2HD HIS 39 -9.366 3.384 -26.391 269 HE1 HIS 39 1HE HIS 39 -9.940 7.518 -27.149 270 HE2 HIS 39 2HE HIS 39 -9.178 5.315 -28.101 271 H SER 40 H SER 40 -10.603 0.996 -23.237 272 HA SER 40 HA SER 40 -12.131 0.906 -20.738 273 HB2 SER 40 1HB SER 40 -10.419 -1.378 -21.594 274 HB3 SER 40 2HB SER 40 -12.003 -1.387 -20.820 275 HG SER 40 HG SER 40 -12.270 -2.037 -22.931 276 H PHE 41 H PHE 41 -11.083 0.316 -18.754 277 HA PHE 41 HA PHE 41 -8.197 0.484 -18.610 278 HB2 PHE 41 1HB PHE 41 -9.906 2.537 -17.190 279 HB3 PHE 41 2HB PHE 41 -8.157 2.378 -17.069 280 HD1 PHE 41 2HD PHE 41 -10.912 3.147 -19.421 281 HD2 PHE 41 1HD PHE 41 -6.744 3.433 -18.604 282 HE1 PHE 41 2HE PHE 41 -10.646 4.677 -21.329 283 HE2 PHE 41 1HE PHE 41 -6.472 4.965 -20.511 284 HZ PHE 41 HZ PHE 41 -8.425 5.587 -21.877 285 H CYS 42 H CYS 42 -7.621 0.593 -16.091 286 HA CYS 42 HA CYS 42 -9.005 -1.692 -14.937 287 HB2 CYS 42 1HB CYS 42 -6.505 -0.236 -14.049 288 HB3 CYS 42 2HB CYS 42 -7.141 -1.703 -13.311 289 H GLN 43 H GLN 43 -10.218 -1.658 -13.117 290 HA GLN 43 HA GLN 43 -11.566 0.598 -12.312 291 HB2 GLN 43 1HB GLN 43 -12.404 -1.567 -11.727 292 HB3 GLN 43 2HB GLN 43 -10.966 -1.934 -10.785 293 HG2 GLN 43 1HG GLN 43 -12.564 -1.444 -9.182 294 HG3 GLN 43 2HG GLN 43 -11.647 0.055 -9.325 295 HE21 GLN 43 1HE2 GLN 43 -12.602 1.849 -10.257 296 HE22 GLN 43 2HE2 GLN 43 -14.304 1.958 -10.530 297 H ALA 44 H ALA 44 -8.393 -0.427 -11.432 298 HA ALA 44 HA ALA 44 -8.263 1.418 -9.172 299 HB1 ALA 44 3HB ALA 44 -6.468 0.250 -8.430 300 HB2 ALA 44 1HB ALA 44 -7.190 -1.011 -9.430 301 HB3 ALA 44 2HB ALA 44 -5.849 -0.049 -10.055 302 H CYS 45 H CYS 45 -6.457 0.800 -12.186 303 HA CYS 45 HA CYS 45 -4.751 2.946 -12.164 304 HB2 CYS 45 1HB CYS 45 -6.180 1.695 -14.515 305 HB3 CYS 45 2HB CYS 45 -4.848 2.837 -14.672 306 H LEU 46 H LEU 46 -8.110 2.881 -13.291 307 HA LEU 46 HA LEU 46 -8.245 5.493 -14.276 308 HB2 LEU 46 1HB LEU 46 -10.188 3.468 -13.346 309 HB3 LEU 46 2HB LEU 46 -10.757 5.135 -13.411 310 HG LEU 46 HG LEU 46 -9.451 3.882 -15.799 311 HD11 LEU 46 1HD1 LEU 46 -11.682 3.213 -16.585 312 HD12 LEU 46 2HD1 LEU 46 -12.348 3.623 -15.006 313 HD13 LEU 46 3HD1 LEU 46 -11.178 2.312 -15.155 314 HD21 LEU 46 3HD2 LEU 46 -10.996 5.471 -16.949 315 HD22 LEU 46 1HD2 LEU 46 -9.786 6.245 -15.926 316 HD23 LEU 46 2HD2 LEU 46 -11.451 6.094 -15.363 317 H THR 47 H THR 47 -8.771 4.225 -11.020 318 HA THR 47 HA THR 47 -9.704 6.597 -9.837 319 HB THR 47 HB THR 47 -8.256 4.229 -8.650 320 HG1 THR 47 1HG THR 47 -10.909 4.923 -8.077 321 HG21 THR 47 3HG2 THR 47 -9.272 6.734 -7.357 322 HG22 THR 47 1HG2 THR 47 -7.760 5.871 -7.079 323 HG23 THR 47 2HG2 THR 47 -9.278 5.207 -6.475 324 H ALA 48 H ALA 48 -6.432 5.310 -10.245 325 HA ALA 48 HA ALA 48 -5.190 7.470 -8.821 326 HB1 ALA 48 3HB ALA 48 -4.082 5.276 -10.558 327 HB2 ALA 48 1HB ALA 48 -3.078 6.487 -9.761 328 HB3 ALA 48 2HB ALA 48 -4.059 5.382 -8.798 329 H ASN 49 H ASN 49 -6.154 6.867 -12.094 330 HA ASN 49 HA ASN 49 -4.462 8.879 -13.260 331 HB2 ASN 49 1HB ASN 49 -5.306 6.864 -14.499 332 HB3 ASN 49 2HB ASN 49 -6.915 7.580 -14.460 333 HD21 ASN 49 1HD2 ASN 49 -7.332 9.432 -15.679 334 HD22 ASN 49 2HD2 ASN 49 -6.305 9.913 -16.982 335 H HIS 50 H HIS 50 -7.871 8.632 -12.337 336 HA HIS 50 HA HIS 50 -8.613 11.202 -13.277 337 HB2 HIS 50 1HB HIS 50 -9.856 9.293 -11.304 338 HB3 HIS 50 2HB HIS 50 -10.576 10.859 -11.665 339 HD2 HIS 50 2HD HIS 50 -9.613 10.218 -15.014 340 HE1 HIS 50 1HE HIS 50 -12.928 7.606 -14.585 341 HE2 HIS 50 2HE HIS 50 -11.334 8.697 -16.202 342 H LYS 51 H LYS 51 -7.704 9.982 -10.070 343 HA LYS 51 HA LYS 51 -8.058 12.361 -8.645 344 HB2 LYS 51 1HB LYS 51 -6.788 11.363 -6.909 345 HB3 LYS 51 2HB LYS 51 -7.638 10.046 -7.706 346 HG2 LYS 51 1HG LYS 51 -5.624 9.442 -8.914 347 HG3 LYS 51 2HG LYS 51 -4.763 10.803 -8.191 348 HD2 LYS 51 1HD LYS 51 -5.256 9.791 -5.945 349 HD3 LYS 51 2HD LYS 51 -5.862 8.367 -6.795 350 HE2 LYS 51 1HE LYS 51 -3.694 7.731 -6.429 351 HE3 LYS 51 2HE LYS 51 -3.529 8.506 -8.003 352 HZ1 LYS 51 3HZ LYS 51 -3.178 10.136 -5.591 353 HZ2 LYS 51 1HZ LYS 51 -2.460 10.298 -7.114 354 HZ3 LYS 51 2HZ LYS 51 -1.925 9.096 -6.051 355 H LYS 52 H LYS 52 -5.509 11.322 -10.766 356 HA LYS 52 HA LYS 52 -3.446 13.022 -9.940 357 HB2 LYS 52 1HB LYS 52 -3.653 11.110 -11.823 358 HB3 LYS 52 2HB LYS 52 -3.748 12.534 -12.850 359 HG2 LYS 52 1HG LYS 52 -1.538 11.977 -10.883 360 HG3 LYS 52 2HG LYS 52 -1.460 11.659 -12.618 361 HD2 LYS 52 1HD LYS 52 -0.549 13.721 -12.691 362 HD3 LYS 52 2HD LYS 52 -2.232 14.248 -12.628 363 HE2 LYS 52 1HE LYS 52 -2.111 14.709 -10.327 364 HE3 LYS 52 2HE LYS 52 -0.620 13.789 -10.136 365 HZ1 LYS 52 3HZ LYS 52 0.572 15.585 -10.590 366 HZ2 LYS 52 1HZ LYS 52 -0.851 16.500 -10.549 367 HZ3 LYS 52 2HZ LYS 52 -0.283 15.886 -12.019 368 H SER 53 H SER 53 -5.482 13.514 -12.828 369 HA SER 53 HA SER 53 -4.822 16.110 -13.376 370 HB2 SER 53 1HB SER 53 -6.207 15.008 -14.940 371 HB3 SER 53 2HB SER 53 -7.426 14.632 -13.722 372 HG SER 53 HG SER 53 -7.211 16.807 -15.292 373 H MET 54 H MET 54 -6.739 14.926 -10.754 374 HA MET 54 HA MET 54 -8.302 17.084 -10.065 375 HB2 MET 54 1HB MET 54 -8.001 14.756 -8.932 376 HB3 MET 54 2HB MET 54 -6.799 15.581 -7.948 377 HG2 MET 54 1HG MET 54 -9.008 15.476 -6.880 378 HG3 MET 54 2HG MET 54 -8.447 17.127 -7.136 379 HE1 MET 54 3HE MET 54 -11.508 15.066 -9.884 380 HE2 MET 54 1HE MET 54 -9.918 14.447 -9.436 381 HE3 MET 54 2HE MET 54 -11.235 14.425 -8.263 382 H LEU 55 H LEU 55 -4.849 16.642 -9.607 383 HA LEU 55 HA LEU 55 -4.582 19.059 -8.041 384 HB2 LEU 55 1HB LEU 55 -2.623 17.068 -9.149 385 HB3 LEU 55 2HB LEU 55 -2.104 18.554 -8.355 386 HG LEU 55 HG LEU 55 -2.001 16.632 -6.849 387 HD11 LEU 55 1HD1 LEU 55 -4.260 18.071 -5.661 388 HD12 LEU 55 2HD1 LEU 55 -2.979 19.105 -6.291 389 HD13 LEU 55 3HD1 LEU 55 -2.605 17.874 -5.085 390 HD21 LEU 55 3HD2 LEU 55 -4.926 16.409 -6.609 391 HD22 LEU 55 1HD2 LEU 55 -3.677 15.168 -6.504 392 HD23 LEU 55 2HD2 LEU 55 -4.229 15.733 -8.082 393 H ASP 56 H ASP 56 -3.949 17.987 -11.338 394 HA ASP 56 HA ASP 56 -2.684 20.423 -12.146 395 HB2 ASP 56 1HB ASP 56 -3.643 17.953 -13.525 396 HB3 ASP 56 2HB ASP 56 -3.337 19.391 -14.496 397 H LYS 57 H LYS 57 -5.633 19.016 -13.542 398 HA LYS 57 HA LYS 57 -6.849 21.699 -13.460 399 HB2 LYS 57 1HB LYS 57 -7.188 19.626 -15.636 400 HB3 LYS 57 2HB LYS 57 -7.928 21.221 -15.598 401 HG2 LYS 57 1HG LYS 57 -5.914 22.303 -16.020 402 HG3 LYS 57 2HG LYS 57 -4.952 20.907 -15.530 403 HD2 LYS 57 1HD LYS 57 -6.248 19.783 -17.556 404 HD3 LYS 57 2HD LYS 57 -6.340 21.460 -18.100 405 HE2 LYS 57 1HE LYS 57 -3.775 21.437 -17.493 406 HE3 LYS 57 2HE LYS 57 -3.964 19.701 -17.735 407 HZ1 LYS 57 3HZ LYS 57 -5.197 20.680 -19.898 408 HZ2 LYS 57 1HZ LYS 57 -3.569 20.223 -19.863 409 HZ3 LYS 57 2HZ LYS 57 -3.995 21.848 -19.672 410 H GLY 58 H GLY 58 -7.383 20.289 -11.324 411 HA2 GLY 58 1HA GLY 58 -8.933 18.975 -10.176 412 HA3 GLY 58 2HA GLY 58 -10.009 20.147 -10.923 413 H GLU 59 H GLU 59 -11.414 19.496 -12.476 414 HA GLU 59 HA GLU 59 -12.298 16.923 -12.640 415 HB2 GLU 59 1HB GLU 59 -13.391 17.543 -14.762 416 HB3 GLU 59 2HB GLU 59 -13.572 18.787 -13.534 417 HG2 GLU 59 1HG GLU 59 -11.568 19.920 -14.616 418 HG3 GLU 59 2HG GLU 59 -11.811 18.805 -15.959 419 H SER 60 H SER 60 -11.550 15.081 -13.444 420 HA SER 60 HA SER 60 -9.119 15.085 -15.015 421 HB2 SER 60 1HB SER 60 -9.023 12.737 -14.597 422 HB3 SER 60 2HB SER 60 -9.580 13.484 -13.100 423 HG SER 60 HG SER 60 -11.686 12.905 -14.650 424 H SER 61 H SER 61 -9.223 13.021 -16.672 425 HA SER 61 HA SER 61 -11.571 12.819 -18.250 426 HB2 SER 61 1HB SER 61 -10.566 13.956 -20.297 427 HB3 SER 61 2HB SER 61 -11.135 15.028 -19.017 428 HG SER 61 HG SER 61 -8.855 15.207 -20.055 429 H CYS 62 H CYS 62 -11.302 11.422 -20.081 430 HA CYS 62 HA CYS 62 -9.821 9.187 -19.722 431 HB2 CYS 62 1HB CYS 62 -11.556 9.400 -21.447 432 HB3 CYS 62 2HB CYS 62 -10.491 10.427 -22.400 433 HA PRO 63 HA PRO 63 -5.623 10.601 -20.193 434 HB2 PRO 63 1HB PRO 63 -4.470 8.174 -19.808 435 HB3 PRO 63 2HB PRO 63 -5.109 9.154 -18.484 436 HG2 PRO 63 1HG PRO 63 -6.362 6.832 -19.898 437 HG3 PRO 63 2HG PRO 63 -6.324 7.197 -18.163 438 HD2 PRO 63 1HD PRO 63 -8.485 7.707 -19.712 439 HD3 PRO 63 2HD PRO 63 -8.051 8.716 -18.317 440 H VAL 64 H VAL 64 -7.464 8.884 -22.318 441 HA VAL 64 HA VAL 64 -5.217 8.365 -24.148 442 HB VAL 64 HB VAL 64 -8.032 7.272 -24.257 443 HG11 VAL 64 1HG1 VAL 64 -6.233 7.601 -26.333 444 HG12 VAL 64 2HG1 VAL 64 -6.017 5.919 -25.845 445 HG13 VAL 64 3HG1 VAL 64 -7.615 6.506 -26.308 446 HG21 VAL 64 3HG2 VAL 64 -5.450 5.865 -23.581 447 HG22 VAL 64 1HG2 VAL 64 -6.664 6.372 -22.406 448 HG23 VAL 64 2HG2 VAL 64 -7.063 5.152 -23.615 449 H CYS 65 H CYS 65 -8.577 9.554 -24.144 450 HA CYS 65 HA CYS 65 -7.875 11.257 -26.446 451 HB2 CYS 65 1HB CYS 65 -10.236 11.168 -27.102 452 HB3 CYS 65 2HB CYS 65 -9.545 9.551 -27.018 453 H ARG 66 H ARG 66 -8.915 11.164 -23.206 454 HA ARG 66 HA ARG 66 -9.490 12.767 -21.699 455 HB2 ARG 66 1HB ARG 66 -8.497 14.730 -23.771 456 HB3 ARG 66 2HB ARG 66 -8.648 15.004 -22.040 457 HG2 ARG 66 1HG ARG 66 -6.913 12.777 -22.964 458 HG3 ARG 66 2HG ARG 66 -6.334 14.434 -23.153 459 HD2 ARG 66 1HD ARG 66 -7.414 13.410 -20.544 460 HD3 ARG 66 2HD ARG 66 -5.723 13.205 -20.998 461 HE ARG 66 HE ARG 66 -6.685 15.916 -21.182 462 HH11 ARG 66 1HH1 ARG 66 -5.234 13.500 -19.137 463 HH12 ARG 66 2HH1 ARG 66 -4.522 14.654 -18.058 464 HH21 ARG 66 1HH2 ARG 66 -5.753 17.444 -19.769 465 HH22 ARG 66 2HH2 ARG 66 -4.819 16.897 -18.418 466 H ILE 67 H ILE 67 -11.596 11.836 -23.118 467 HA ILE 67 HA ILE 67 -13.140 13.720 -24.500 468 HB ILE 67 HB ILE 67 -13.528 11.202 -24.316 469 HG12 ILE 67 1HG1 ILE 67 -16.094 11.573 -24.378 470 HG13 ILE 67 2HG1 ILE 67 -15.701 13.276 -24.176 471 HG21 ILE 67 1HG2 ILE 67 -15.194 10.578 -22.546 472 HG22 ILE 67 2HG2 ILE 67 -13.565 10.908 -21.957 473 HG23 ILE 67 3HG2 ILE 67 -14.834 12.117 -21.764 474 HD11 ILE 67 3HD1 ILE 67 -14.955 11.466 -26.450 475 HD12 ILE 67 1HD1 ILE 67 -15.977 12.902 -26.487 476 HD13 ILE 67 2HD1 ILE 67 -14.242 13.061 -26.211 477 H SER 68 H SER 68 -14.870 15.029 -23.861 478 HA SER 68 HA SER 68 -14.559 16.210 -21.254 479 HB2 SER 68 1HB SER 68 -16.087 16.851 -23.730 480 HB3 SER 68 2HB SER 68 -16.677 17.524 -22.210 481 HG SER 68 HG SER 68 -15.183 18.968 -22.461 482 H TYR 69 H TYR 69 -15.285 14.905 -19.650 483 HA TYR 69 HA TYR 69 -18.110 14.669 -19.292 484 HB2 TYR 69 1HB TYR 69 -18.392 12.335 -19.380 485 HB3 TYR 69 2HB TYR 69 -17.460 12.714 -20.825 486 HD1 TYR 69 2HD TYR 69 -14.743 12.997 -19.724 487 HD2 TYR 69 1HD TYR 69 -17.782 10.158 -18.825 488 HE1 TYR 69 2HE TYR 69 -13.021 11.379 -19.041 489 HE2 TYR 69 1HE TYR 69 -16.069 8.532 -18.138 490 HH TYR 69 HH TYR 69 -12.859 9.376 -17.569 491 H GLN 70 H GLN 70 -18.672 13.783 -17.185 492 HA GLN 70 HA GLN 70 -16.597 14.376 -15.234 493 HB2 GLN 70 1HB GLN 70 -19.574 14.115 -15.148 494 HB3 GLN 70 2HB GLN 70 -18.659 13.930 -13.658 495 HG2 GLN 70 1HG GLN 70 -17.676 16.145 -13.993 496 HG3 GLN 70 2HG GLN 70 -18.616 16.330 -15.473 497 HE21 GLN 70 1HE2 GLN 70 -18.512 17.538 -12.601 498 HE22 GLN 70 2HE2 GLN 70 -20.185 17.672 -12.193 499 HA PRO 71 HA PRO 71 -15.716 10.059 -14.677 500 HB2 PRO 71 1HB PRO 71 -14.026 10.368 -12.575 501 HB3 PRO 71 2HB PRO 71 -13.559 10.720 -14.243 502 HG2 PRO 71 1HG PRO 71 -14.431 12.601 -12.083 503 HG3 PRO 71 2HG PRO 71 -13.111 12.776 -13.254 504 HD2 PRO 71 1HD PRO 71 -15.507 13.998 -13.566 505 HD3 PRO 71 2HD PRO 71 -14.529 13.448 -14.942 506 H GLU 72 H GLU 72 -17.638 11.986 -12.811 507 HA GLU 72 HA GLU 72 -17.799 10.427 -10.420 508 HB2 GLU 72 1HB GLU 72 -19.501 12.596 -11.621 509 HB3 GLU 72 2HB GLU 72 -20.010 11.737 -10.174 510 HG2 GLU 72 1HG GLU 72 -18.032 12.466 -8.998 511 HG3 GLU 72 2HG GLU 72 -17.420 13.243 -10.457 512 H ASN 73 H ASN 73 -20.172 10.924 -13.041 513 HA ASN 73 HA ASN 73 -21.504 8.446 -12.298 514 HB2 ASN 73 1HB ASN 73 -22.231 10.396 -14.493 515 HB3 ASN 73 2HB ASN 73 -23.252 9.125 -13.827 516 HD21 ASN 73 1HD2 ASN 73 -23.218 12.217 -13.951 517 HD22 ASN 73 2HD2 ASN 73 -23.678 12.668 -12.348 518 H ILE 74 H ILE 74 -20.577 6.646 -13.044 519 HA ILE 74 HA ILE 74 -20.337 6.266 -15.892 520 HB ILE 74 HB ILE 74 -17.872 6.016 -14.164 521 HG12 ILE 74 1HG1 ILE 74 -18.517 7.895 -16.447 522 HG13 ILE 74 2HG1 ILE 74 -18.376 8.340 -14.750 523 HG21 ILE 74 1HG2 ILE 74 -18.577 4.545 -16.408 524 HG22 ILE 74 2HG2 ILE 74 -17.490 5.789 -17.022 525 HG23 ILE 74 3HG2 ILE 74 -16.960 4.717 -15.726 526 HD11 ILE 74 3HD1 ILE 74 -16.126 7.169 -16.361 527 HD12 ILE 74 1HD1 ILE 74 -16.398 8.899 -16.153 528 HD13 ILE 74 2HD1 ILE 74 -16.041 7.887 -14.753 529 H ARG 75 H ARG 75 -20.518 4.144 -16.479 530 HA ARG 75 HA ARG 75 -20.478 2.135 -14.332 531 HB2 ARG 75 1HB ARG 75 -22.491 1.103 -15.211 532 HB3 ARG 75 2HB ARG 75 -22.811 2.786 -14.813 533 HG2 ARG 75 1HG ARG 75 -22.528 3.354 -17.210 534 HG3 ARG 75 2HG ARG 75 -22.363 1.631 -17.555 535 HD2 ARG 75 1HD ARG 75 -24.642 2.407 -17.967 536 HD3 ARG 75 2HD ARG 75 -24.592 1.228 -16.657 537 HE ARG 75 HE ARG 75 -24.448 3.602 -15.365 538 HH11 ARG 75 1HH1 ARG 75 -26.623 2.293 -17.748 539 HH12 ARG 75 2HH1 ARG 75 -27.990 3.198 -17.187 540 HH21 ARG 75 1HH2 ARG 75 -26.240 4.799 -14.618 541 HH22 ARG 75 2HH2 ARG 75 -27.771 4.623 -15.408 542 HA PRO 76 HA PRO 76 -17.980 -0.212 -17.088 543 HB2 PRO 76 1HB PRO 76 -18.466 -2.705 -16.128 544 HB3 PRO 76 2HB PRO 76 -17.466 -1.525 -15.273 545 HG2 PRO 76 1HG PRO 76 -20.334 -2.256 -14.824 546 HG3 PRO 76 2HG PRO 76 -19.051 -1.977 -13.633 547 HD2 PRO 76 1HD PRO 76 -20.916 -0.108 -14.230 548 HD3 PRO 76 2HD PRO 76 -19.257 0.315 -13.762 549 H ASN 77 H ASN 77 -18.333 -2.675 -18.100 550 HA ASN 77 HA ASN 77 -20.437 -2.254 -20.036 551 HB2 ASN 77 1HB ASN 77 -19.489 -4.329 -21.089 552 HB3 ASN 77 2HB ASN 77 -18.327 -3.021 -20.890 553 HD21 ASN 77 1HD2 ASN 77 -16.434 -3.609 -20.142 554 HD22 ASN 77 2HD2 ASN 77 -16.111 -4.978 -19.139 555 H ARG 78 H ARG 78 -21.666 -2.586 -17.672 556 HA ARG 78 HA ARG 78 -22.775 -5.310 -17.846 557 HB2 ARG 78 1HB ARG 78 -21.407 -4.536 -15.720 558 HB3 ARG 78 2HB ARG 78 -22.930 -3.764 -15.296 559 HG2 ARG 78 1HG ARG 78 -24.047 -5.971 -15.542 560 HG3 ARG 78 2HG ARG 78 -22.456 -6.694 -15.786 561 HD2 ARG 78 1HD ARG 78 -21.758 -6.120 -13.598 562 HD3 ARG 78 2HD ARG 78 -23.141 -5.052 -13.363 563 HE ARG 78 HE ARG 78 -24.370 -7.378 -13.701 564 HH11 ARG 78 1HH1 ARG 78 -21.570 -6.574 -11.796 565 HH12 ARG 78 2HH1 ARG 78 -21.868 -7.795 -10.603 566 HH21 ARG 78 1HH2 ARG 78 -24.774 -8.990 -12.138 567 HH22 ARG 78 2HH2 ARG 78 -23.691 -9.169 -10.800 568 H HIS 79 H HIS 79 -25.034 -5.516 -17.309 569 HA HIS 79 HA HIS 79 -26.538 -3.035 -17.822 570 HB2 HIS 79 1HB HIS 79 -26.667 -4.768 -19.616 571 HB3 HIS 79 2HB HIS 79 -27.399 -5.866 -18.450 572 HD2 HIS 79 2HD HIS 79 -28.682 -3.936 -21.205 573 HE1 HIS 79 1HE HIS 79 -31.600 -3.290 -18.194 574 HE2 HIS 79 2HE HIS 79 -31.102 -3.204 -20.661 575 H VAL 80 H VAL 80 -27.036 -2.366 -15.789 576 HA VAL 80 HA VAL 80 -28.145 -4.276 -13.880 577 HB VAL 80 HB VAL 80 -28.048 -2.443 -12.257 578 HG11 VAL 80 1HG1 VAL 80 -25.788 -2.584 -11.897 579 HG12 VAL 80 2HG1 VAL 80 -26.009 -3.905 -13.046 580 HG13 VAL 80 3HG1 VAL 80 -25.391 -2.348 -13.598 581 HG21 VAL 80 3HG2 VAL 80 -26.627 -0.406 -13.235 582 HG22 VAL 80 1HG2 VAL 80 -27.500 -0.861 -14.698 583 HG23 VAL 80 2HG2 VAL 80 -28.390 -0.425 -13.240 584 H ALA 81 H ALA 81 -30.099 -3.647 -12.650 585 HA ALA 81 HA ALA 81 -32.049 -2.296 -14.401 586 HB1 ALA 81 3HB ALA 81 -33.094 -4.156 -12.378 587 HB2 ALA 81 1HB ALA 81 -33.556 -3.931 -14.066 588 HB3 ALA 81 2HB ALA 81 -32.136 -4.896 -13.661 589 H ASN 82 H ASN 82 -30.517 -0.802 -12.624 590 HA ASN 82 HA ASN 82 -31.745 -0.418 -10.107 591 HB2 ASN 82 1HB ASN 82 -29.831 1.146 -11.791 592 HB3 ASN 82 2HB ASN 82 -30.583 1.932 -10.406 593 HD21 ASN 82 1HD2 ASN 82 -30.267 0.992 -8.315 594 HD22 ASN 82 2HD2 ASN 82 -28.843 0.069 -7.990 595 H ILE 83 H ILE 83 -33.880 -0.007 -10.044 596 HA ILE 83 HA ILE 83 -34.967 2.071 -11.812 597 HB ILE 83 HB ILE 83 -36.429 0.026 -10.136 598 HG12 ILE 83 1HG1 ILE 83 -36.311 0.148 -13.142 599 HG13 ILE 83 2HG1 ILE 83 -35.101 -0.730 -12.213 600 HG21 ILE 83 1HG2 ILE 83 -37.306 2.392 -11.648 601 HG22 ILE 83 2HG2 ILE 83 -38.235 0.921 -11.934 602 HG23 ILE 83 3HG2 ILE 83 -38.073 1.557 -10.297 603 HD11 ILE 83 3HD1 ILE 83 -38.037 -1.280 -12.446 604 HD12 ILE 83 1HD1 ILE 83 -36.679 -2.330 -12.854 605 HD13 ILE 83 2HD1 ILE 83 -37.047 -1.979 -11.164 606 H VAL 84 H VAL 84 -35.482 4.005 -11.030 607 HA VAL 84 HA VAL 84 -35.008 4.672 -8.303 608 HB VAL 84 HB VAL 84 -35.855 6.914 -8.910 609 HG11 VAL 84 1HG1 VAL 84 -34.093 6.129 -11.176 610 HG12 VAL 84 2HG1 VAL 84 -33.971 7.498 -10.070 611 HG13 VAL 84 3HG1 VAL 84 -33.510 5.883 -9.530 612 HG21 VAL 84 3HG2 VAL 84 -36.444 5.614 -11.568 613 HG22 VAL 84 1HG2 VAL 84 -37.615 6.306 -10.444 614 HG23 VAL 84 2HG2 VAL 84 -36.460 7.352 -11.271 615 H GLU 85 H GLU 85 -36.354 4.667 -6.622 616 HA GLU 85 HA GLU 85 -39.183 5.071 -6.919 617 HB2 GLU 85 1HB GLU 85 -38.054 2.354 -6.432 618 HB3 GLU 85 2HB GLU 85 -39.520 2.808 -5.574 619 HG2 GLU 85 1HG GLU 85 -39.091 2.601 -8.535 620 HG3 GLU 85 2HG GLU 85 -40.212 1.691 -7.524 Start of MODEL 7 1 H1 GLY 1 H GLY 1 43.161 -8.787 -27.786 2 HA2 GLY 1 1HA GLY 1 43.643 -7.494 -30.323 3 HA3 GLY 1 2HA GLY 1 44.778 -8.491 -29.425 4 H SER 2 H SER 2 41.526 -9.262 -30.621 5 HA SER 2 HA SER 2 42.405 -10.803 -32.827 6 HB2 SER 2 1HB SER 2 43.191 -12.251 -30.926 7 HB3 SER 2 2HB SER 2 41.504 -12.437 -30.446 8 HG SER 2 HG SER 2 41.124 -13.656 -32.172 9 H SER 3 H SER 3 40.763 -10.704 -34.195 10 HA SER 3 HA SER 3 38.300 -9.655 -33.780 11 HB2 SER 3 1HB SER 3 39.307 -11.662 -35.760 12 HB3 SER 3 2HB SER 3 37.584 -11.286 -35.728 13 HG SER 3 HG SER 3 39.598 -9.857 -36.771 14 H GLY 4 H GLY 4 36.145 -10.578 -33.644 15 HA2 GLY 4 1HA GLY 4 35.951 -13.269 -32.528 16 HA3 GLY 4 2HA GLY 4 35.477 -11.945 -31.475 17 H SER 5 H SER 5 34.222 -14.250 -33.323 18 HA SER 5 HA SER 5 32.112 -12.620 -34.529 19 HB2 SER 5 1HB SER 5 33.103 -14.333 -35.960 20 HB3 SER 5 2HB SER 5 32.709 -15.579 -34.776 21 HG SER 5 HG SER 5 30.446 -14.514 -35.167 22 H SER 6 H SER 6 30.735 -12.031 -32.929 23 HA SER 6 HA SER 6 29.896 -13.898 -30.896 24 HB2 SER 6 1HB SER 6 30.182 -11.494 -30.388 25 HB3 SER 6 2HB SER 6 28.874 -11.113 -31.507 26 HG SER 6 HG SER 6 27.449 -12.206 -30.173 27 H GLY 7 H GLY 7 27.508 -14.154 -30.448 28 HA2 GLY 7 1HA GLY 7 26.247 -15.124 -32.875 29 HA3 GLY 7 2HA GLY 7 25.685 -15.381 -31.230 30 H MET 8 H MET 8 23.560 -14.825 -31.652 31 HA MET 8 HA MET 8 23.121 -11.960 -32.170 32 HB2 MET 8 1HB MET 8 21.561 -14.309 -33.247 33 HB3 MET 8 2HB MET 8 20.951 -12.660 -33.271 34 HG2 MET 8 1HG MET 8 23.480 -13.599 -34.605 35 HG3 MET 8 2HG MET 8 21.934 -13.334 -35.409 36 HE1 MET 8 3HE MET 8 22.241 -11.790 -37.034 37 HE2 MET 8 1HE MET 8 22.906 -10.160 -36.932 38 HE3 MET 8 2HE MET 8 23.989 -11.551 -36.979 39 H ALA 9 H ALA 9 22.513 -11.141 -30.271 40 HA ALA 9 HA ALA 9 20.907 -12.720 -28.426 41 HB1 ALA 9 3HB ALA 9 22.450 -11.650 -27.150 42 HB2 ALA 9 1HB ALA 9 22.549 -10.262 -28.234 43 HB3 ALA 9 2HB ALA 9 21.190 -10.416 -27.120 44 H SER 10 H SER 10 18.977 -12.766 -29.718 45 HA SER 10 HA SER 10 17.534 -10.201 -29.811 46 HB2 SER 10 1HB SER 10 17.976 -11.727 -31.929 47 HB3 SER 10 2HB SER 10 16.576 -12.604 -31.311 48 HG SER 10 HG SER 10 16.501 -9.804 -31.597 49 H GLY 11 H GLY 11 15.856 -9.921 -28.494 50 HA2 GLY 11 1HA GLY 11 15.019 -12.105 -26.783 51 HA3 GLY 11 2HA GLY 11 14.511 -10.426 -26.661 52 H ILE 12 H ILE 12 14.218 -13.111 -28.993 53 HA ILE 12 HA ILE 12 11.444 -12.272 -29.476 54 HB ILE 12 HB ILE 12 11.598 -13.789 -31.481 55 HG12 ILE 12 1HG1 ILE 12 14.542 -13.751 -30.781 56 HG13 ILE 12 2HG1 ILE 12 13.487 -15.158 -30.691 57 HG21 ILE 12 1HG2 ILE 12 12.074 -11.960 -32.659 58 HG22 ILE 12 2HG2 ILE 12 12.422 -11.174 -31.120 59 HG23 ILE 12 3HG2 ILE 12 13.728 -11.908 -32.050 60 HD11 ILE 12 3HD1 ILE 12 15.066 -14.545 -32.796 61 HD12 ILE 12 1HD1 ILE 12 13.613 -15.540 -32.890 62 HD13 ILE 12 2HD1 ILE 12 13.536 -13.826 -33.299 63 H LEU 13 H LEU 13 9.799 -13.488 -28.801 64 HA LEU 13 HA LEU 13 10.345 -16.274 -28.017 65 HB2 LEU 13 1HB LEU 13 9.008 -14.078 -26.543 66 HB3 LEU 13 2HB LEU 13 8.311 -15.690 -26.394 67 HG LEU 13 HG LEU 13 9.737 -15.445 -24.544 68 HD11 LEU 13 1HD1 LEU 13 10.101 -17.450 -26.305 69 HD12 LEU 13 2HD1 LEU 13 10.921 -17.348 -24.747 70 HD13 LEU 13 3HD1 LEU 13 11.742 -16.810 -26.212 71 HD21 LEU 13 3HD2 LEU 13 11.308 -13.845 -26.383 72 HD22 LEU 13 1HD2 LEU 13 12.306 -14.955 -25.443 73 HD23 LEU 13 2HD2 LEU 13 11.247 -13.809 -24.620 74 H VAL 14 H VAL 14 8.247 -17.555 -27.811 75 HA VAL 14 HA VAL 14 6.374 -16.765 -29.946 76 HB VAL 14 HB VAL 14 7.396 -19.549 -29.364 77 HG11 VAL 14 1HG1 VAL 14 6.066 -19.843 -31.651 78 HG12 VAL 14 2HG1 VAL 14 5.295 -20.049 -30.077 79 HG13 VAL 14 3HG1 VAL 14 5.113 -18.531 -30.958 80 HG21 VAL 14 3HG2 VAL 14 8.879 -19.287 -31.015 81 HG22 VAL 14 1HG2 VAL 14 7.697 -18.501 -32.062 82 HG23 VAL 14 2HG2 VAL 14 8.575 -17.557 -30.859 83 H ASN 15 H ASN 15 4.583 -16.186 -28.870 84 HA ASN 15 HA ASN 15 3.120 -18.183 -27.423 85 HB2 ASN 15 1HB ASN 15 4.813 -16.950 -25.799 86 HB3 ASN 15 2HB ASN 15 3.566 -15.706 -25.815 87 HD21 ASN 15 1HD2 ASN 15 1.951 -15.909 -24.436 88 HD22 ASN 15 2HD2 ASN 15 1.532 -17.348 -23.576 89 H VAL 16 H VAL 16 1.109 -16.933 -26.335 90 HA VAL 16 HA VAL 16 -0.105 -15.494 -28.555 91 HB VAL 16 HB VAL 16 -1.649 -17.026 -27.849 92 HG11 VAL 16 1HG1 VAL 16 -2.035 -17.554 -25.411 93 HG12 VAL 16 2HG1 VAL 16 -0.464 -18.029 -26.059 94 HG13 VAL 16 3HG1 VAL 16 -0.606 -16.581 -25.061 95 HG21 VAL 16 3HG2 VAL 16 -3.390 -15.917 -26.541 96 HG22 VAL 16 1HG2 VAL 16 -2.227 -14.699 -26.018 97 HG23 VAL 16 2HG2 VAL 16 -2.680 -14.813 -27.718 98 H LYS 17 H LYS 17 -0.975 -13.442 -28.432 99 HA LYS 17 HA LYS 17 0.018 -11.808 -26.202 100 HB2 LYS 17 1HB LYS 17 0.015 -9.947 -27.660 101 HB3 LYS 17 2HB LYS 17 0.676 -11.279 -28.599 102 HG2 LYS 17 1HG LYS 17 -2.243 -10.826 -28.775 103 HG3 LYS 17 2HG LYS 17 -1.188 -9.638 -29.544 104 HD2 LYS 17 1HD LYS 17 -0.041 -11.556 -30.696 105 HD3 LYS 17 2HD LYS 17 -1.317 -12.603 -30.071 106 HE2 LYS 17 1HE LYS 17 -2.953 -10.996 -31.176 107 HE3 LYS 17 2HE LYS 17 -1.556 -10.320 -32.013 108 HZ1 LYS 17 3HZ LYS 17 -1.102 -12.683 -32.751 109 HZ2 LYS 17 1HZ LYS 17 -2.437 -11.917 -33.455 110 HZ3 LYS 17 2HZ LYS 17 -2.666 -13.054 -32.224 111 H GLU 18 H GLU 18 -1.330 -10.209 -25.255 112 HA GLU 18 HA GLU 18 -3.996 -11.075 -24.805 113 HB2 GLU 18 1HB GLU 18 -2.756 -8.412 -24.093 114 HB3 GLU 18 2HB GLU 18 -4.203 -9.115 -23.384 115 HG2 GLU 18 1HG GLU 18 -3.037 -10.568 -22.088 116 HG3 GLU 18 2HG GLU 18 -1.703 -10.695 -23.233 117 H GLU 19 H GLU 19 -5.953 -10.094 -25.363 118 HA GLU 19 HA GLU 19 -5.941 -8.819 -27.952 119 HB2 GLU 19 1HB GLU 19 -8.413 -8.976 -27.761 120 HB3 GLU 19 2HB GLU 19 -7.600 -10.519 -27.542 121 HG2 GLU 19 1HG GLU 19 -8.287 -8.871 -25.156 122 HG3 GLU 19 2HG GLU 19 -9.541 -9.813 -25.960 123 H VAL 20 H VAL 20 -6.718 -7.943 -24.630 124 HA VAL 20 HA VAL 20 -6.951 -5.136 -25.500 125 HB VAL 20 HB VAL 20 -8.397 -6.395 -23.166 126 HG11 VAL 20 1HG1 VAL 20 -9.242 -3.790 -24.240 127 HG12 VAL 20 2HG1 VAL 20 -9.117 -4.346 -22.570 128 HG13 VAL 20 3HG1 VAL 20 -7.676 -3.802 -23.429 129 HG21 VAL 20 3HG2 VAL 20 -9.604 -5.409 -25.742 130 HG22 VAL 20 1HG2 VAL 20 -9.186 -7.098 -25.455 131 HG23 VAL 20 2HG2 VAL 20 -10.395 -6.304 -24.445 132 H THR 21 H THR 21 -5.563 -3.759 -24.597 133 HA THR 21 HA THR 21 -4.147 -4.608 -22.154 134 HB THR 21 HB THR 21 -2.997 -2.935 -24.395 135 HG1 THR 21 1HG THR 21 -3.266 -5.164 -24.959 136 HG21 THR 21 3HG2 THR 21 -0.859 -3.724 -23.052 137 HG22 THR 21 1HG2 THR 21 -2.012 -3.800 -21.721 138 HG23 THR 21 2HG2 THR 21 -1.756 -2.281 -22.580 139 H CYS 22 H CYS 22 -3.494 -2.946 -20.701 140 HA CYS 22 HA CYS 22 -5.380 -0.752 -20.601 141 HB2 CYS 22 1HB CYS 22 -4.866 -2.035 -18.567 142 HB3 CYS 22 2HB CYS 22 -3.180 -1.541 -18.679 143 HA PRO 23 HA PRO 23 -2.580 2.088 -22.555 144 HB2 PRO 23 1HB PRO 23 -4.083 4.313 -22.157 145 HB3 PRO 23 2HB PRO 23 -4.458 3.109 -23.396 146 HG2 PRO 23 1HG PRO 23 -5.648 3.457 -20.671 147 HG3 PRO 23 2HG PRO 23 -6.458 3.106 -22.209 148 HD2 PRO 23 1HD PRO 23 -5.929 1.190 -20.371 149 HD3 PRO 23 2HD PRO 23 -5.938 0.863 -22.116 150 H ILE 24 H ILE 24 -3.189 1.744 -19.314 151 HA ILE 24 HA ILE 24 -1.593 4.095 -18.561 152 HB ILE 24 HB ILE 24 -3.475 2.357 -16.988 153 HG12 ILE 24 1HG1 ILE 24 -3.430 5.339 -16.923 154 HG13 ILE 24 2HG1 ILE 24 -4.026 4.554 -18.382 155 HG21 ILE 24 1HG2 ILE 24 -1.516 4.367 -15.886 156 HG22 ILE 24 2HG2 ILE 24 -2.802 3.581 -14.972 157 HG23 ILE 24 3HG2 ILE 24 -1.476 2.622 -15.631 158 HD11 ILE 24 3HD1 ILE 24 -5.178 4.610 -15.647 159 HD12 ILE 24 1HD1 ILE 24 -5.965 4.802 -17.214 160 HD13 ILE 24 2HD1 ILE 24 -5.474 3.199 -16.663 161 H CYS 25 H CYS 25 -1.989 0.856 -17.136 162 HA CYS 25 HA CYS 25 0.769 0.778 -16.352 163 HB2 CYS 25 1HB CYS 25 0.202 -1.514 -15.542 164 HB3 CYS 25 2HB CYS 25 -0.865 -0.262 -14.915 165 H LEU 26 H LEU 26 -1.040 -0.242 -19.093 166 HA LEU 26 HA LEU 26 -0.494 -1.340 -21.007 167 HB2 LEU 26 1HB LEU 26 2.379 -0.864 -20.271 168 HB3 LEU 26 2HB LEU 26 1.677 -1.017 -21.880 169 HG LEU 26 HG LEU 26 1.159 1.292 -20.011 170 HD11 LEU 26 1HD1 LEU 26 3.555 0.922 -20.957 171 HD12 LEU 26 2HD1 LEU 26 2.807 2.516 -21.053 172 HD13 LEU 26 3HD1 LEU 26 2.838 1.470 -22.472 173 HD21 LEU 26 3HD2 LEU 26 -0.556 1.596 -21.416 174 HD22 LEU 26 1HD2 LEU 26 0.081 0.446 -22.592 175 HD23 LEU 26 2HD2 LEU 26 0.671 2.108 -22.576 176 H GLU 27 H GLU 27 -0.924 -2.963 -18.773 177 HA GLU 27 HA GLU 27 1.070 -5.102 -19.099 178 HB2 GLU 27 1HB GLU 27 -0.848 -4.457 -16.868 179 HB3 GLU 27 2HB GLU 27 -0.061 -6.024 -16.993 180 HG2 GLU 27 1HG GLU 27 1.645 -3.600 -17.101 181 HG3 GLU 27 2HG GLU 27 0.946 -4.058 -15.549 182 H LEU 28 H LEU 28 -2.389 -5.011 -18.245 183 HA LEU 28 HA LEU 28 -3.247 -6.379 -20.572 184 HB2 LEU 28 1HB LEU 28 -2.184 -8.299 -19.683 185 HB3 LEU 28 2HB LEU 28 -2.822 -7.989 -18.070 186 HG LEU 28 HG LEU 28 -5.062 -8.580 -18.828 187 HD11 LEU 28 1HD1 LEU 28 -5.502 -8.275 -20.992 188 HD12 LEU 28 2HD1 LEU 28 -4.745 -9.847 -21.244 189 HD13 LEU 28 3HD1 LEU 28 -3.800 -8.372 -21.443 190 HD21 LEU 28 3HD2 LEU 28 -2.987 -10.294 -18.346 191 HD22 LEU 28 1HD2 LEU 28 -3.624 -10.897 -19.876 192 HD23 LEU 28 2HD2 LEU 28 -4.685 -10.757 -18.474 193 H LEU 29 H LEU 29 -5.441 -6.310 -20.776 194 HA LEU 29 HA LEU 29 -6.937 -5.270 -18.460 195 HB2 LEU 29 1HB LEU 29 -6.973 -4.565 -21.347 196 HB3 LEU 29 2HB LEU 29 -8.490 -4.479 -20.455 197 HG LEU 29 HG LEU 29 -5.982 -2.878 -20.018 198 HD11 LEU 29 1HD1 LEU 29 -8.840 -2.038 -20.473 199 HD12 LEU 29 2HD1 LEU 29 -7.607 -2.128 -21.731 200 HD13 LEU 29 3HD1 LEU 29 -7.421 -0.992 -20.396 201 HD21 LEU 29 3HD2 LEU 29 -7.768 -1.917 -18.202 202 HD22 LEU 29 1HD2 LEU 29 -6.435 -3.009 -17.826 203 HD23 LEU 29 2HD2 LEU 29 -8.054 -3.654 -18.097 204 H THR 30 H THR 30 -7.618 -7.276 -17.711 205 HA THR 30 HA THR 30 -8.960 -9.131 -19.466 206 HB THR 30 HB THR 30 -8.957 -9.239 -16.453 207 HG1 THR 30 1HG THR 30 -6.836 -9.295 -16.735 208 HG21 THR 30 3HG2 THR 30 -9.199 -11.311 -18.632 209 HG22 THR 30 1HG2 THR 30 -10.432 -10.835 -17.465 210 HG23 THR 30 2HG2 THR 30 -8.993 -11.699 -16.925 211 H GLN 31 H GLN 31 -10.037 -7.568 -16.443 212 HA GLN 31 HA GLN 31 -12.723 -7.354 -17.635 213 HB2 GLN 31 1HB GLN 31 -11.829 -8.145 -14.896 214 HB3 GLN 31 2HB GLN 31 -13.369 -7.314 -15.076 215 HG2 GLN 31 1HG GLN 31 -14.328 -9.052 -16.237 216 HG3 GLN 31 2HG GLN 31 -12.776 -9.688 -16.776 217 HE21 GLN 31 1HE2 GLN 31 -13.344 -11.761 -16.077 218 HE22 GLN 31 2HE2 GLN 31 -13.343 -12.189 -14.404 219 HA PRO 32 HA PRO 32 -11.032 -3.118 -16.509 220 HB2 PRO 32 1HB PRO 32 -11.310 -2.035 -18.982 221 HB3 PRO 32 2HB PRO 32 -9.849 -2.883 -18.464 222 HG2 PRO 32 1HG PRO 32 -12.133 -3.883 -20.120 223 HG3 PRO 32 2HG PRO 32 -10.392 -4.127 -20.352 224 HD2 PRO 32 1HD PRO 32 -11.993 -6.011 -19.248 225 HD3 PRO 32 2HD PRO 32 -10.292 -5.812 -18.782 226 H LEU 33 H LEU 33 -12.195 -0.955 -17.215 227 HA LEU 33 HA LEU 33 -15.080 -1.443 -16.924 228 HB2 LEU 33 1HB LEU 33 -13.611 1.104 -16.294 229 HB3 LEU 33 2HB LEU 33 -15.248 0.656 -15.822 230 HG LEU 33 HG LEU 33 -12.673 -0.498 -14.758 231 HD11 LEU 33 1HD1 LEU 33 -14.520 1.599 -13.888 232 HD12 LEU 33 2HD1 LEU 33 -12.841 1.303 -13.439 233 HD13 LEU 33 3HD1 LEU 33 -14.136 0.406 -12.648 234 HD21 LEU 33 3HD2 LEU 33 -14.121 -1.802 -13.251 235 HD22 LEU 33 1HD2 LEU 33 -14.320 -2.261 -14.942 236 HD23 LEU 33 2HD2 LEU 33 -15.532 -1.249 -14.156 237 H SER 34 H SER 34 -16.550 0.047 -17.983 238 HA SER 34 HA SER 34 -15.515 0.870 -20.602 239 HB2 SER 34 1HB SER 34 -17.340 -0.684 -20.777 240 HB3 SER 34 2HB SER 34 -18.319 0.255 -19.650 241 HG SER 34 HG SER 34 -18.281 1.957 -21.223 242 H LEU 35 H LEU 35 -16.249 2.871 -21.540 243 HA LEU 35 HA LEU 35 -17.201 4.873 -19.619 244 HB2 LEU 35 1HB LEU 35 -15.004 5.517 -21.552 245 HB3 LEU 35 2HB LEU 35 -15.518 6.414 -20.124 246 HG LEU 35 HG LEU 35 -14.075 3.764 -20.078 247 HD11 LEU 35 1HD1 LEU 35 -12.644 5.535 -20.936 248 HD12 LEU 35 2HD1 LEU 35 -12.149 5.059 -19.312 249 HD13 LEU 35 3HD1 LEU 35 -13.054 6.553 -19.555 250 HD21 LEU 35 3HD2 LEU 35 -13.914 5.278 -17.665 251 HD22 LEU 35 1HD2 LEU 35 -14.587 3.669 -17.923 252 HD23 LEU 35 2HD2 LEU 35 -15.609 5.093 -18.116 253 H ASP 36 H ASP 36 -17.771 6.965 -20.781 254 HA ASP 36 HA ASP 36 -19.452 6.283 -23.039 255 HB2 ASP 36 1HB ASP 36 -19.134 8.992 -21.741 256 HB3 ASP 36 2HB ASP 36 -20.481 8.421 -22.722 257 H CYS 37 H CYS 37 -16.368 6.675 -23.049 258 HA CYS 37 HA CYS 37 -16.268 8.592 -25.281 259 HB2 CYS 37 1HB CYS 37 -13.989 9.007 -24.766 260 HB3 CYS 37 2HB CYS 37 -14.839 9.023 -23.225 261 H GLY 38 H GLY 38 -15.140 5.415 -24.189 262 HA2 GLY 38 1HA GLY 38 -15.378 3.606 -25.865 263 HA3 GLY 38 2HA GLY 38 -14.678 4.724 -27.026 264 H HIS 39 H HIS 39 -13.725 3.908 -23.698 265 HA HIS 39 HA HIS 39 -11.356 2.535 -24.633 266 HB2 HIS 39 1HB HIS 39 -11.173 5.148 -23.124 267 HB3 HIS 39 2HB HIS 39 -9.827 4.030 -23.325 268 HD2 HIS 39 2HD HIS 39 -9.481 3.518 -26.327 269 HE1 HIS 39 1HE HIS 39 -10.326 7.611 -27.054 270 HE2 HIS 39 2HE HIS 39 -9.439 5.465 -28.029 271 H SER 40 H SER 40 -10.658 1.044 -23.198 272 HA SER 40 HA SER 40 -12.114 0.879 -20.660 273 HB2 SER 40 1HB SER 40 -10.370 -1.345 -21.615 274 HB3 SER 40 2HB SER 40 -11.917 -1.412 -20.772 275 HG SER 40 HG SER 40 -11.702 -1.916 -23.199 276 H PHE 41 H PHE 41 -10.977 0.222 -18.725 277 HA PHE 41 HA PHE 41 -8.100 0.488 -18.659 278 HB2 PHE 41 1HB PHE 41 -9.806 2.451 -17.113 279 HB3 PHE 41 2HB PHE 41 -8.048 2.355 -17.103 280 HD1 PHE 41 2HD PHE 41 -10.962 3.046 -19.286 281 HD2 PHE 41 1HD PHE 41 -6.778 3.528 -18.668 282 HE1 PHE 41 2HE PHE 41 -10.870 4.630 -21.166 283 HE2 PHE 41 1HE PHE 41 -6.680 5.114 -20.547 284 HZ PHE 41 HZ PHE 41 -8.728 5.666 -21.800 285 H CYS 42 H CYS 42 -7.458 0.565 -16.150 286 HA CYS 42 HA CYS 42 -8.709 -1.802 -15.021 287 HB2 CYS 42 1HB CYS 42 -6.285 -0.219 -14.141 288 HB3 CYS 42 2HB CYS 42 -6.832 -1.720 -13.400 289 H GLN 43 H GLN 43 -9.981 -1.855 -13.261 290 HA GLN 43 HA GLN 43 -11.443 0.269 -12.380 291 HB2 GLN 43 1HB GLN 43 -12.071 -1.982 -11.806 292 HB3 GLN 43 2HB GLN 43 -10.614 -2.195 -10.844 293 HG2 GLN 43 1HG GLN 43 -11.424 -0.984 -9.088 294 HG3 GLN 43 2HG GLN 43 -12.479 -0.006 -10.106 295 HE21 GLN 43 1HE2 GLN 43 -12.279 -3.501 -10.171 296 HE22 GLN 43 2HE2 GLN 43 -13.870 -3.795 -9.566 297 H ALA 44 H ALA 44 -8.185 -0.497 -11.558 298 HA ALA 44 HA ALA 44 -8.175 1.370 -9.307 299 HB1 ALA 44 3HB ALA 44 -5.659 0.073 -10.135 300 HB2 ALA 44 1HB ALA 44 -6.348 0.299 -8.528 301 HB3 ALA 44 2HB ALA 44 -6.938 -1.000 -9.566 302 H CYS 45 H CYS 45 -6.165 0.785 -12.202 303 HA CYS 45 HA CYS 45 -4.637 3.016 -12.255 304 HB2 CYS 45 1HB CYS 45 -6.028 1.700 -14.595 305 HB3 CYS 45 2HB CYS 45 -4.742 2.890 -14.761 306 H LEU 46 H LEU 46 -8.044 2.816 -13.107 307 HA LEU 46 HA LEU 46 -8.280 5.428 -14.174 308 HB2 LEU 46 1HB LEU 46 -10.115 3.292 -13.288 309 HB3 LEU 46 2HB LEU 46 -10.771 4.928 -13.286 310 HG LEU 46 HG LEU 46 -9.430 3.840 -15.733 311 HD11 LEU 46 1HD1 LEU 46 -12.301 3.388 -14.931 312 HD12 LEU 46 2HD1 LEU 46 -11.059 2.151 -15.117 313 HD13 LEU 46 3HD1 LEU 46 -11.616 3.059 -16.522 314 HD21 LEU 46 3HD2 LEU 46 -10.592 6.273 -15.043 315 HD22 LEU 46 1HD2 LEU 46 -11.791 5.470 -16.057 316 HD23 LEU 46 2HD2 LEU 46 -10.154 5.726 -16.662 317 H THR 47 H THR 47 -8.809 4.088 -10.939 318 HA THR 47 HA THR 47 -9.826 6.390 -9.717 319 HB THR 47 HB THR 47 -9.590 3.949 -8.805 320 HG1 THR 47 1HG THR 47 -9.546 6.397 -7.420 321 HG21 THR 47 3HG2 THR 47 -6.926 4.625 -8.787 322 HG22 THR 47 1HG2 THR 47 -7.655 3.314 -7.861 323 HG23 THR 47 2HG2 THR 47 -7.404 4.890 -7.110 324 H ALA 48 H ALA 48 -6.597 5.541 -10.642 325 HA ALA 48 HA ALA 48 -5.362 7.574 -8.986 326 HB1 ALA 48 3HB ALA 48 -3.408 6.788 -10.704 327 HB2 ALA 48 1HB ALA 48 -3.773 6.001 -9.167 328 HB3 ALA 48 2HB ALA 48 -4.439 5.357 -10.669 329 H ASN 49 H ASN 49 -6.015 7.031 -12.430 330 HA ASN 49 HA ASN 49 -4.780 9.365 -13.392 331 HB2 ASN 49 1HB ASN 49 -5.279 7.725 -15.006 332 HB3 ASN 49 2HB ASN 49 -6.953 7.587 -14.476 333 HD21 ASN 49 1HD2 ASN 49 -8.468 8.974 -15.264 334 HD22 ASN 49 2HD2 ASN 49 -8.152 10.121 -16.516 335 H HIS 50 H HIS 50 -8.149 8.720 -12.472 336 HA HIS 50 HA HIS 50 -9.135 11.289 -13.092 337 HB2 HIS 50 1HB HIS 50 -10.129 9.135 -11.226 338 HB3 HIS 50 2HB HIS 50 -11.007 10.637 -11.500 339 HD2 HIS 50 2HD HIS 50 -10.185 10.383 -14.882 340 HE1 HIS 50 1HE HIS 50 -12.982 7.210 -14.546 341 HE2 HIS 50 2HE HIS 50 -11.695 8.690 -16.126 342 H LYS 51 H LYS 51 -7.783 9.902 -10.141 343 HA LYS 51 HA LYS 51 -8.245 12.301 -8.607 344 HB2 LYS 51 1HB LYS 51 -7.562 11.101 -6.775 345 HB3 LYS 51 2HB LYS 51 -8.063 9.781 -7.825 346 HG2 LYS 51 1HG LYS 51 -5.615 9.713 -8.582 347 HG3 LYS 51 2HG LYS 51 -5.292 10.697 -7.153 348 HD2 LYS 51 1HD LYS 51 -6.918 8.219 -6.845 349 HD3 LYS 51 2HD LYS 51 -5.173 8.064 -7.058 350 HE2 LYS 51 1HE LYS 51 -5.763 8.135 -4.694 351 HE3 LYS 51 2HE LYS 51 -4.807 9.546 -5.148 352 HZ1 LYS 51 3HZ LYS 51 -6.670 10.923 -5.057 353 HZ2 LYS 51 1HZ LYS 51 -6.839 9.927 -3.700 354 HZ3 LYS 51 2HZ LYS 51 -7.762 9.631 -5.086 355 H LYS 52 H LYS 52 -6.135 11.601 -10.997 356 HA LYS 52 HA LYS 52 -3.778 12.826 -9.819 357 HB2 LYS 52 1HB LYS 52 -3.585 10.918 -11.401 358 HB3 LYS 52 2HB LYS 52 -4.263 11.934 -12.667 359 HG2 LYS 52 1HG LYS 52 -1.855 12.901 -11.218 360 HG3 LYS 52 2HG LYS 52 -1.668 11.609 -12.406 361 HD2 LYS 52 1HD LYS 52 -2.569 12.971 -14.142 362 HD3 LYS 52 2HD LYS 52 -3.076 14.208 -12.990 363 HE2 LYS 52 1HE LYS 52 -0.830 14.831 -12.542 364 HE3 LYS 52 2HE LYS 52 -0.199 13.419 -13.389 365 HZ1 LYS 52 3HZ LYS 52 -1.007 14.322 -15.462 366 HZ2 LYS 52 1HZ LYS 52 -0.001 15.452 -14.704 367 HZ3 LYS 52 2HZ LYS 52 -1.680 15.655 -14.666 368 H SER 53 H SER 53 -5.959 13.501 -12.557 369 HA SER 53 HA SER 53 -4.975 15.900 -13.411 370 HB2 SER 53 1HB SER 53 -7.294 16.464 -14.105 371 HB3 SER 53 2HB SER 53 -6.847 14.809 -14.520 372 HG SER 53 HG SER 53 -7.878 14.357 -12.336 373 H MET 54 H MET 54 -7.041 15.318 -10.609 374 HA MET 54 HA MET 54 -7.910 17.709 -9.804 375 HB2 MET 54 1HB MET 54 -6.717 15.436 -8.311 376 HB3 MET 54 2HB MET 54 -6.938 16.939 -7.425 377 HG2 MET 54 1HG MET 54 -8.861 15.616 -7.055 378 HG3 MET 54 2HG MET 54 -9.327 16.918 -8.146 379 HE1 MET 54 3HE MET 54 -9.920 16.899 -10.207 380 HE2 MET 54 1HE MET 54 -9.811 15.624 -11.422 381 HE3 MET 54 2HE MET 54 -11.228 15.727 -10.377 382 H LEU 55 H LEU 55 -4.543 16.638 -9.412 383 HA LEU 55 HA LEU 55 -3.693 19.153 -8.326 384 HB2 LEU 55 1HB LEU 55 -2.057 16.882 -9.447 385 HB3 LEU 55 2HB LEU 55 -1.443 18.226 -8.486 386 HG LEU 55 HG LEU 55 -3.165 17.296 -6.714 387 HD11 LEU 55 1HD1 LEU 55 -2.786 15.061 -8.649 388 HD12 LEU 55 2HD1 LEU 55 -4.224 15.543 -7.749 389 HD13 LEU 55 3HD1 LEU 55 -2.910 14.703 -6.926 390 HD21 LEU 55 3HD2 LEU 55 -0.418 16.270 -7.360 391 HD22 LEU 55 1HD2 LEU 55 -1.294 15.755 -5.918 392 HD23 LEU 55 2HD2 LEU 55 -0.896 17.458 -6.146 393 H ASP 56 H ASP 56 -3.665 17.620 -11.489 394 HA ASP 56 HA ASP 56 -1.945 19.356 -12.832 395 HB2 ASP 56 1HB ASP 56 -3.068 17.164 -13.639 396 HB3 ASP 56 2HB ASP 56 -4.394 18.208 -14.143 397 H LYS 57 H LYS 57 -5.489 19.426 -13.187 398 HA LYS 57 HA LYS 57 -5.351 22.367 -13.167 399 HB2 LYS 57 1HB LYS 57 -7.058 20.671 -14.999 400 HB3 LYS 57 2HB LYS 57 -7.057 22.429 -14.929 401 HG2 LYS 57 1HG LYS 57 -4.924 22.580 -15.875 402 HG3 LYS 57 2HG LYS 57 -4.569 20.880 -15.561 403 HD2 LYS 57 1HD LYS 57 -6.517 20.376 -17.146 404 HD3 LYS 57 2HD LYS 57 -6.389 22.067 -17.635 405 HE2 LYS 57 1HE LYS 57 -4.004 21.675 -18.184 406 HE3 LYS 57 2HE LYS 57 -4.228 19.969 -17.800 407 HZ1 LYS 57 3HZ LYS 57 -4.737 21.271 -20.217 408 HZ2 LYS 57 1HZ LYS 57 -6.225 20.750 -19.605 409 HZ3 LYS 57 2HZ LYS 57 -4.972 19.638 -19.842 410 H GLY 58 H GLY 58 -7.433 19.517 -12.788 411 HA2 GLY 58 1HA GLY 58 -8.608 19.495 -10.566 412 HA3 GLY 58 2HA GLY 58 -9.130 21.122 -10.977 413 H GLU 59 H GLU 59 -9.007 18.116 -12.881 414 HA GLU 59 HA GLU 59 -11.787 17.644 -12.831 415 HB2 GLU 59 1HB GLU 59 -12.328 18.291 -15.163 416 HB3 GLU 59 2HB GLU 59 -11.975 19.671 -14.132 417 HG2 GLU 59 1HG GLU 59 -9.689 19.735 -15.059 418 HG3 GLU 59 2HG GLU 59 -10.124 18.419 -16.148 419 H SER 60 H SER 60 -12.149 15.604 -13.459 420 HA SER 60 HA SER 60 -9.942 14.038 -14.427 421 HB2 SER 60 1HB SER 60 -11.567 12.141 -14.260 422 HB3 SER 60 2HB SER 60 -11.399 13.059 -12.764 423 HG SER 60 HG SER 60 -13.494 13.192 -12.894 424 H SER 61 H SER 61 -10.002 12.681 -16.310 425 HA SER 61 HA SER 61 -11.960 12.880 -18.324 426 HB2 SER 61 1HB SER 61 -9.751 14.874 -18.393 427 HB3 SER 61 2HB SER 61 -10.208 14.121 -19.920 428 HG SER 61 HG SER 61 -12.468 14.731 -18.924 429 H CYS 62 H CYS 62 -11.621 11.397 -19.931 430 HA CYS 62 HA CYS 62 -10.051 9.215 -19.550 431 HB2 CYS 62 1HB CYS 62 -11.830 9.354 -21.250 432 HB3 CYS 62 2HB CYS 62 -10.799 10.381 -22.241 433 HA PRO 63 HA PRO 63 -5.918 10.756 -20.120 434 HB2 PRO 63 1HB PRO 63 -4.675 8.362 -19.815 435 HB3 PRO 63 2HB PRO 63 -5.314 9.293 -18.455 436 HG2 PRO 63 1HG PRO 63 -6.523 6.959 -19.887 437 HG3 PRO 63 2HG PRO 63 -6.453 7.290 -18.146 438 HD2 PRO 63 1HD PRO 63 -8.669 7.758 -19.631 439 HD3 PRO 63 2HD PRO 63 -8.234 8.751 -18.226 440 H VAL 64 H VAL 64 -7.751 9.003 -22.231 441 HA VAL 64 HA VAL 64 -5.535 8.592 -24.124 442 HB VAL 64 HB VAL 64 -8.327 7.439 -24.204 443 HG11 VAL 64 1HG1 VAL 64 -7.368 7.781 -26.430 444 HG12 VAL 64 2HG1 VAL 64 -5.933 6.874 -25.951 445 HG13 VAL 64 3HG1 VAL 64 -7.499 6.066 -26.040 446 HG21 VAL 64 3HG2 VAL 64 -5.741 5.991 -23.673 447 HG22 VAL 64 1HG2 VAL 64 -6.801 6.583 -22.394 448 HG23 VAL 64 2HG2 VAL 64 -7.384 5.366 -23.529 449 H CYS 65 H CYS 65 -8.978 9.537 -24.181 450 HA CYS 65 HA CYS 65 -8.367 11.315 -26.442 451 HB2 CYS 65 1HB CYS 65 -10.816 11.261 -26.878 452 HB3 CYS 65 2HB CYS 65 -10.061 9.673 -26.974 453 H ARG 66 H ARG 66 -9.289 11.246 -23.150 454 HA ARG 66 HA ARG 66 -9.872 12.849 -21.642 455 HB2 ARG 66 1HB ARG 66 -8.306 14.392 -23.685 456 HB3 ARG 66 2HB ARG 66 -9.045 15.224 -22.324 457 HG2 ARG 66 1HG ARG 66 -6.918 14.807 -21.550 458 HG3 ARG 66 2HG ARG 66 -7.825 13.444 -20.892 459 HD2 ARG 66 1HD ARG 66 -5.888 12.479 -21.779 460 HD3 ARG 66 2HD ARG 66 -7.122 12.190 -23.006 461 HE ARG 66 HE ARG 66 -6.005 14.495 -23.833 462 HH11 ARG 66 1HH1 ARG 66 -4.652 11.434 -22.874 463 HH12 ARG 66 2HH1 ARG 66 -3.272 11.571 -23.913 464 HH21 ARG 66 1HH2 ARG 66 -4.193 14.687 -25.204 465 HH22 ARG 66 2HH2 ARG 66 -3.011 13.422 -25.237 466 H ILE 67 H ILE 67 -11.940 12.105 -23.315 467 HA ILE 67 HA ILE 67 -13.255 14.368 -24.462 468 HB ILE 67 HB ILE 67 -13.621 11.943 -25.116 469 HG12 ILE 67 1HG1 ILE 67 -16.163 13.428 -24.452 470 HG13 ILE 67 2HG1 ILE 67 -15.078 13.930 -25.744 471 HG21 ILE 67 1HG2 ILE 67 -15.191 12.006 -22.551 472 HG22 ILE 67 2HG2 ILE 67 -15.466 10.815 -23.822 473 HG23 ILE 67 3HG2 ILE 67 -13.902 10.894 -23.010 474 HD11 ILE 67 3HD1 ILE 67 -16.288 11.187 -25.605 475 HD12 ILE 67 1HD1 ILE 67 -17.058 12.543 -26.429 476 HD13 ILE 67 2HD1 ILE 67 -15.485 11.959 -26.972 477 H SER 68 H SER 68 -15.464 15.043 -23.757 478 HA SER 68 HA SER 68 -15.386 15.704 -20.937 479 HB2 SER 68 1HB SER 68 -16.067 17.221 -22.997 480 HB3 SER 68 2HB SER 68 -17.657 16.516 -22.703 481 HG SER 68 HG SER 68 -17.021 18.550 -21.545 482 H TYR 69 H TYR 69 -16.328 14.499 -19.443 483 HA TYR 69 HA TYR 69 -18.987 13.559 -19.639 484 HB2 TYR 69 1HB TYR 69 -18.707 11.215 -19.834 485 HB3 TYR 69 2HB TYR 69 -17.734 11.914 -21.124 486 HD1 TYR 69 2HD TYR 69 -15.322 12.743 -19.615 487 HD2 TYR 69 1HD TYR 69 -17.646 9.188 -19.366 488 HE1 TYR 69 2HE TYR 69 -13.352 11.519 -18.797 489 HE2 TYR 69 1HE TYR 69 -15.683 7.954 -18.546 490 HH TYR 69 HH TYR 69 -12.908 9.452 -17.426 491 H GLN 70 H GLN 70 -19.521 12.074 -17.746 492 HA GLN 70 HA GLN 70 -17.773 12.694 -15.458 493 HB2 GLN 70 1HB GLN 70 -20.782 12.822 -15.630 494 HB3 GLN 70 2HB GLN 70 -19.914 12.796 -14.101 495 HG2 GLN 70 1HG GLN 70 -19.263 14.842 -16.178 496 HG3 GLN 70 2HG GLN 70 -20.645 15.055 -15.105 497 HE21 GLN 70 1HE2 GLN 70 -17.443 15.702 -15.510 498 HE22 GLN 70 2HE2 GLN 70 -17.006 16.023 -13.870 499 HA PRO 71 HA PRO 71 -17.798 8.374 -14.630 500 HB2 PRO 71 1HB PRO 71 -17.187 8.433 -11.986 501 HB3 PRO 71 2HB PRO 71 -16.004 8.779 -13.253 502 HG2 PRO 71 1HG PRO 71 -17.571 10.682 -11.554 503 HG3 PRO 71 2HG PRO 71 -15.861 10.744 -12.017 504 HD2 PRO 71 1HD PRO 71 -17.758 12.232 -13.249 505 HD3 PRO 71 2HD PRO 71 -16.326 11.617 -14.099 506 H GLU 72 H GLU 72 -19.814 10.581 -12.830 507 HA GLU 72 HA GLU 72 -21.230 8.888 -11.177 508 HB2 GLU 72 1HB GLU 72 -22.228 11.274 -12.739 509 HB3 GLU 72 2HB GLU 72 -23.129 10.494 -11.447 510 HG2 GLU 72 1HG GLU 72 -21.261 11.007 -9.903 511 HG3 GLU 72 2HG GLU 72 -20.480 11.900 -11.207 512 H ASN 73 H ASN 73 -21.600 9.415 -14.635 513 HA ASN 73 HA ASN 73 -23.781 7.452 -14.706 514 HB2 ASN 73 1HB ASN 73 -22.841 9.536 -16.671 515 HB3 ASN 73 2HB ASN 73 -23.952 8.253 -17.138 516 HD21 ASN 73 1HD2 ASN 73 -23.950 11.338 -16.485 517 HD22 ASN 73 2HD2 ASN 73 -25.456 11.524 -15.659 518 H ILE 74 H ILE 74 -21.353 6.346 -14.151 519 HA ILE 74 HA ILE 74 -20.879 4.769 -16.567 520 HB ILE 74 HB ILE 74 -18.642 5.977 -14.935 521 HG12 ILE 74 1HG1 ILE 74 -19.495 6.461 -17.798 522 HG13 ILE 74 2HG1 ILE 74 -19.687 7.590 -16.461 523 HG21 ILE 74 1HG2 ILE 74 -18.766 3.685 -16.715 524 HG22 ILE 74 2HG2 ILE 74 -17.568 4.874 -17.224 525 HG23 ILE 74 3HG2 ILE 74 -17.493 4.185 -15.602 526 HD11 ILE 74 3HD1 ILE 74 -17.122 7.398 -16.247 527 HD12 ILE 74 1HD1 ILE 74 -17.202 6.759 -17.889 528 HD13 ILE 74 2HD1 ILE 74 -17.810 8.378 -17.541 529 H ARG 75 H ARG 75 -20.620 2.641 -16.176 530 HA ARG 75 HA ARG 75 -19.703 1.649 -13.637 531 HB2 ARG 75 1HB ARG 75 -21.734 0.404 -13.078 532 HB3 ARG 75 2HB ARG 75 -22.042 2.135 -13.096 533 HG2 ARG 75 1HG ARG 75 -22.854 1.754 -15.505 534 HG3 ARG 75 2HG ARG 75 -22.917 0.050 -15.054 535 HD2 ARG 75 1HD ARG 75 -24.337 2.304 -13.639 536 HD3 ARG 75 2HD ARG 75 -25.083 1.156 -14.750 537 HE ARG 75 HE ARG 75 -23.950 -0.418 -12.846 538 HH11 ARG 75 1HH1 ARG 75 -26.170 2.262 -12.781 539 HH12 ARG 75 2HH1 ARG 75 -26.987 1.720 -11.352 540 HH21 ARG 75 1HH2 ARG 75 -25.016 -1.142 -10.964 541 HH22 ARG 75 2HH2 ARG 75 -26.329 -0.216 -10.319 542 HA PRO 76 HA PRO 76 -18.446 -1.720 -16.157 543 HB2 PRO 76 1HB PRO 76 -18.341 -3.717 -14.321 544 HB3 PRO 76 2HB PRO 76 -17.160 -2.404 -14.380 545 HG2 PRO 76 1HG PRO 76 -19.549 -2.723 -12.605 546 HG3 PRO 76 2HG PRO 76 -17.914 -2.171 -12.193 547 HD2 PRO 76 1HD PRO 76 -19.978 -0.459 -12.571 548 HD3 PRO 76 2HD PRO 76 -18.302 -0.038 -12.976 549 H ASN 77 H ASN 77 -19.389 -3.180 -17.467 550 HA ASN 77 HA ASN 77 -22.137 -3.602 -17.486 551 HB2 ASN 77 1HB ASN 77 -19.906 -5.193 -18.764 552 HB3 ASN 77 2HB ASN 77 -21.613 -5.469 -19.101 553 HD21 ASN 77 1HD2 ASN 77 -19.052 -3.060 -19.229 554 HD22 ASN 77 2HD2 ASN 77 -19.718 -2.156 -20.543 555 H ARG 78 H ARG 78 -19.649 -6.054 -16.742 556 HA ARG 78 HA ARG 78 -21.342 -7.124 -14.630 557 HB2 ARG 78 1HB ARG 78 -20.604 -8.618 -17.130 558 HB3 ARG 78 2HB ARG 78 -20.887 -9.476 -15.621 559 HG2 ARG 78 1HG ARG 78 -23.138 -8.459 -15.512 560 HG3 ARG 78 2HG ARG 78 -22.844 -7.723 -17.089 561 HD2 ARG 78 1HD ARG 78 -22.532 -10.675 -16.705 562 HD3 ARG 78 2HD ARG 78 -24.130 -9.971 -16.949 563 HE ARG 78 HE ARG 78 -22.015 -10.221 -18.906 564 HH11 ARG 78 1HH1 ARG 78 -25.020 -8.690 -18.040 565 HH12 ARG 78 2HH1 ARG 78 -25.435 -8.286 -19.673 566 HH21 ARG 78 1HH2 ARG 78 -22.551 -9.695 -21.060 567 HH22 ARG 78 2HH2 ARG 78 -24.031 -8.859 -21.390 568 H HIS 79 H HIS 79 -20.214 -8.142 -13.019 569 HA HIS 79 HA HIS 79 -17.287 -8.229 -13.348 570 HB2 HIS 79 1HB HIS 79 -19.018 -7.324 -11.093 571 HB3 HIS 79 2HB HIS 79 -17.472 -8.072 -10.704 572 HD2 HIS 79 2HD HIS 79 -17.826 -5.611 -13.735 573 HE1 HIS 79 1HE HIS 79 -15.424 -3.788 -10.751 574 HE2 HIS 79 2HE HIS 79 -16.393 -3.564 -13.065 575 H VAL 80 H VAL 80 -18.895 -10.400 -14.093 576 HA VAL 80 HA VAL 80 -18.092 -12.376 -12.065 577 HB VAL 80 HB VAL 80 -20.080 -13.727 -12.619 578 HG11 VAL 80 1HG1 VAL 80 -21.504 -12.634 -11.160 579 HG12 VAL 80 2HG1 VAL 80 -19.944 -11.906 -10.771 580 HG13 VAL 80 3HG1 VAL 80 -21.094 -11.039 -11.790 581 HG21 VAL 80 3HG2 VAL 80 -20.306 -12.399 -14.882 582 HG22 VAL 80 1HG2 VAL 80 -21.720 -13.092 -14.088 583 HG23 VAL 80 2HG2 VAL 80 -21.365 -11.373 -13.915 584 H ALA 81 H ALA 81 -17.887 -14.593 -12.966 585 HA ALA 81 HA ALA 81 -16.967 -14.505 -15.766 586 HB1 ALA 81 3HB ALA 81 -15.752 -15.737 -13.339 587 HB2 ALA 81 1HB ALA 81 -15.481 -16.485 -14.913 588 HB3 ALA 81 2HB ALA 81 -14.992 -14.812 -14.635 589 H ASN 82 H ASN 82 -19.192 -15.126 -16.296 590 HA ASN 82 HA ASN 82 -19.415 -17.896 -16.779 591 HB2 ASN 82 1HB ASN 82 -20.070 -18.309 -14.578 592 HB3 ASN 82 2HB ASN 82 -20.947 -16.787 -14.449 593 HD21 ASN 82 1HD2 ASN 82 -23.061 -16.936 -14.507 594 HD22 ASN 82 2HD2 ASN 82 -23.975 -18.211 -15.232 595 H ILE 83 H ILE 83 -20.294 -17.858 -18.731 596 HA ILE 83 HA ILE 83 -21.509 -17.194 -20.547 597 HB ILE 83 HB ILE 83 -23.738 -16.667 -18.594 598 HG12 ILE 83 1HG1 ILE 83 -23.222 -19.383 -19.749 599 HG13 ILE 83 2HG1 ILE 83 -22.361 -18.883 -18.297 600 HG21 ILE 83 1HG2 ILE 83 -25.170 -17.378 -20.385 601 HG22 ILE 83 2HG2 ILE 83 -24.075 -16.138 -20.996 602 HG23 ILE 83 3HG2 ILE 83 -23.781 -17.836 -21.371 603 HD11 ILE 83 3HD1 ILE 83 -24.909 -20.005 -18.473 604 HD12 ILE 83 1HD1 ILE 83 -24.120 -19.343 -17.042 605 HD13 ILE 83 2HD1 ILE 83 -25.158 -18.316 -18.031 606 H VAL 84 H VAL 84 -19.914 -15.170 -19.907 607 HA VAL 84 HA VAL 84 -21.631 -12.774 -19.980 608 HB VAL 84 HB VAL 84 -20.141 -12.851 -18.017 609 HG11 VAL 84 1HG1 VAL 84 -17.793 -12.871 -18.172 610 HG12 VAL 84 2HG1 VAL 84 -18.340 -14.147 -19.261 611 HG13 VAL 84 3HG1 VAL 84 -17.824 -12.591 -19.913 612 HG21 VAL 84 3HG2 VAL 84 -20.447 -10.745 -19.869 613 HG22 VAL 84 1HG2 VAL 84 -20.130 -10.634 -18.138 614 HG23 VAL 84 2HG2 VAL 84 -18.787 -10.674 -19.280 615 H GLU 85 H GLU 85 -21.547 -11.498 -21.725 616 HA GLU 85 HA GLU 85 -19.250 -11.254 -23.394 617 HB2 GLU 85 1HB GLU 85 -20.178 -13.491 -24.089 618 HB3 GLU 85 2HB GLU 85 -21.621 -12.650 -24.636 619 HG2 GLU 85 1HG GLU 85 -20.491 -12.747 -26.595 620 HG3 GLU 85 2HG GLU 85 -19.851 -11.225 -25.979 Start of MODEL 8 1 H1 GLY 1 H GLY 1 10.469 5.708 -0.622 2 HA2 GLY 1 1HA GLY 1 11.776 5.606 1.681 3 HA3 GLY 1 2HA GLY 1 10.149 5.252 2.244 4 H SER 2 H SER 2 9.040 3.488 0.816 5 HA SER 2 HA SER 2 10.970 1.395 0.110 6 HB2 SER 2 1HB SER 2 9.565 -0.278 1.324 7 HB3 SER 2 2HB SER 2 10.341 0.890 2.394 8 HG SER 2 HG SER 2 7.918 0.353 2.551 9 H SER 3 H SER 3 10.438 0.258 -1.662 10 HA SER 3 HA SER 3 8.287 1.122 -3.292 11 HB2 SER 3 1HB SER 3 9.006 -0.641 -4.837 12 HB3 SER 3 2HB SER 3 10.398 0.250 -4.223 13 HG SER 3 HG SER 3 10.189 -1.633 -2.531 14 H GLY 4 H GLY 4 6.266 0.369 -3.531 15 HA2 GLY 4 1HA GLY 4 5.545 -2.300 -2.668 16 HA3 GLY 4 2HA GLY 4 4.865 -1.009 -1.689 17 H SER 5 H SER 5 4.870 -2.543 -4.825 18 HA SER 5 HA SER 5 2.637 -0.861 -5.702 19 HB2 SER 5 1HB SER 5 4.559 -1.239 -7.253 20 HB3 SER 5 2HB SER 5 4.156 -2.956 -7.274 21 HG SER 5 HG SER 5 3.131 -1.026 -8.764 22 H SER 6 H SER 6 0.830 -1.987 -6.843 23 HA SER 6 HA SER 6 0.035 -4.347 -5.288 24 HB2 SER 6 1HB SER 6 -2.267 -3.751 -5.849 25 HB3 SER 6 2HB SER 6 -1.439 -2.362 -5.145 26 HG SER 6 HG SER 6 -1.864 -1.327 -6.910 27 H GLY 7 H GLY 7 -0.907 -6.153 -6.298 28 HA2 GLY 7 1HA GLY 7 -1.532 -6.545 -8.936 29 HA3 GLY 7 2HA GLY 7 0.210 -6.766 -8.868 30 H MET 8 H MET 8 -1.320 -8.844 -9.689 31 HA MET 8 HA MET 8 -1.671 -10.605 -7.378 32 HB2 MET 8 1HB MET 8 -2.486 -10.855 -10.272 33 HB3 MET 8 2HB MET 8 -2.650 -12.170 -9.116 34 HG2 MET 8 1HG MET 8 -4.228 -10.974 -7.832 35 HG3 MET 8 2HG MET 8 -3.886 -9.470 -8.684 36 HE1 MET 8 3HE MET 8 -4.955 -8.560 -10.165 37 HE2 MET 8 1HE MET 8 -5.267 -9.315 -11.729 38 HE3 MET 8 2HE MET 8 -6.598 -9.026 -10.608 39 H ALA 9 H ALA 9 -0.390 -12.325 -6.972 40 HA ALA 9 HA ALA 9 2.103 -12.515 -8.417 41 HB1 ALA 9 3HB ALA 9 1.029 -13.560 -5.867 42 HB2 ALA 9 1HB ALA 9 2.295 -14.508 -6.649 43 HB3 ALA 9 2HB ALA 9 2.590 -12.821 -6.226 44 H SER 10 H SER 10 0.014 -13.178 -10.096 45 HA SER 10 HA SER 10 -0.725 -15.844 -10.260 46 HB2 SER 10 1HB SER 10 -0.453 -13.621 -12.222 47 HB3 SER 10 2HB SER 10 -0.616 -15.255 -12.867 48 HG SER 10 HG SER 10 -2.372 -14.209 -10.911 49 H GLY 11 H GLY 11 0.746 -17.425 -9.954 50 HA2 GLY 11 1HA GLY 11 3.389 -17.563 -10.480 51 HA3 GLY 11 2HA GLY 11 2.332 -18.954 -10.666 52 H ILE 12 H ILE 12 0.830 -17.958 -12.878 53 HA ILE 12 HA ILE 12 2.665 -18.636 -14.987 54 HB ILE 12 HB ILE 12 0.717 -18.458 -16.475 55 HG12 ILE 12 1HG1 ILE 12 -0.993 -17.881 -14.072 56 HG13 ILE 12 2HG1 ILE 12 -0.288 -16.565 -15.003 57 HG21 ILE 12 1HG2 ILE 12 1.163 -20.534 -15.236 58 HG22 ILE 12 2HG2 ILE 12 0.107 -19.972 -13.941 59 HG23 ILE 12 3HG2 ILE 12 -0.558 -20.298 -15.541 60 HD11 ILE 12 3HD1 ILE 12 -2.250 -18.638 -15.930 61 HD12 ILE 12 1HD1 ILE 12 -2.475 -16.892 -15.821 62 HD13 ILE 12 2HD1 ILE 12 -1.383 -17.568 -17.031 63 H LEU 13 H LEU 13 2.699 -17.342 -17.033 64 HA LEU 13 HA LEU 13 2.606 -14.451 -16.496 65 HB2 LEU 13 1HB LEU 13 4.826 -16.095 -17.638 66 HB3 LEU 13 2HB LEU 13 4.639 -14.410 -18.119 67 HG LEU 13 HG LEU 13 6.284 -14.540 -16.384 68 HD11 LEU 13 1HD1 LEU 13 4.019 -13.572 -14.760 69 HD12 LEU 13 2HD1 LEU 13 4.212 -12.839 -16.352 70 HD13 LEU 13 3HD1 LEU 13 5.535 -12.779 -15.188 71 HD21 LEU 13 3HD2 LEU 13 4.594 -15.433 -14.206 72 HD22 LEU 13 1HD2 LEU 13 6.209 -15.965 -14.675 73 HD23 LEU 13 2HD2 LEU 13 4.789 -16.674 -15.444 74 H VAL 14 H VAL 14 2.369 -13.109 -18.386 75 HA VAL 14 HA VAL 14 0.336 -13.614 -20.048 76 HB VAL 14 HB VAL 14 2.855 -12.124 -20.792 77 HG11 VAL 14 1HG1 VAL 14 2.033 -11.749 -22.820 78 HG12 VAL 14 2HG1 VAL 14 0.741 -12.901 -22.476 79 HG13 VAL 14 3HG1 VAL 14 0.508 -11.185 -22.139 80 HG21 VAL 14 3HG2 VAL 14 1.510 -11.375 -18.785 81 HG22 VAL 14 1HG2 VAL 14 1.747 -10.170 -20.050 82 HG23 VAL 14 2HG2 VAL 14 0.202 -11.009 -19.909 83 H ASN 15 H ASN 15 -0.084 -15.373 -21.213 84 HA ASN 15 HA ASN 15 1.987 -16.965 -22.400 85 HB2 ASN 15 1HB ASN 15 0.064 -18.297 -23.303 86 HB3 ASN 15 2HB ASN 15 0.040 -18.099 -21.553 87 HD21 ASN 15 1HD2 ASN 15 -2.094 -18.614 -23.563 88 HD22 ASN 15 2HD2 ASN 15 -3.281 -17.393 -23.273 89 H VAL 16 H VAL 16 -0.762 -15.132 -23.746 90 HA VAL 16 HA VAL 16 0.812 -14.779 -26.213 91 HB VAL 16 HB VAL 16 -1.023 -15.131 -27.584 92 HG11 VAL 16 1HG1 VAL 16 -0.464 -17.267 -26.826 93 HG12 VAL 16 2HG1 VAL 16 -1.167 -16.987 -25.231 94 HG13 VAL 16 3HG1 VAL 16 -2.216 -17.196 -26.635 95 HG21 VAL 16 3HG2 VAL 16 -2.641 -13.684 -26.678 96 HG22 VAL 16 1HG2 VAL 16 -3.377 -15.286 -26.623 97 HG23 VAL 16 2HG2 VAL 16 -2.705 -14.573 -25.156 98 H LYS 17 H LYS 17 -0.294 -12.950 -27.587 99 HA LYS 17 HA LYS 17 0.011 -10.548 -26.141 100 HB2 LYS 17 1HB LYS 17 -1.063 -11.149 -28.893 101 HB3 LYS 17 2HB LYS 17 -0.949 -9.509 -28.268 102 HG2 LYS 17 1HG LYS 17 1.032 -9.624 -29.367 103 HG3 LYS 17 2HG LYS 17 1.547 -10.249 -27.799 104 HD2 LYS 17 1HD LYS 17 2.411 -11.653 -29.576 105 HD3 LYS 17 2HD LYS 17 1.215 -12.544 -28.632 106 HE2 LYS 17 1HE LYS 17 0.242 -11.062 -31.007 107 HE3 LYS 17 2HE LYS 17 1.214 -12.503 -31.301 108 HZ1 LYS 17 3HZ LYS 17 -0.613 -13.185 -29.341 109 HZ2 LYS 17 1HZ LYS 17 -0.608 -13.688 -30.957 110 HZ3 LYS 17 2HZ LYS 17 -1.491 -12.320 -30.500 111 H GLU 18 H GLU 18 -1.406 -10.325 -24.458 112 HA GLU 18 HA GLU 18 -4.024 -10.969 -24.219 113 HB2 GLU 18 1HB GLU 18 -2.867 -8.335 -23.291 114 HB3 GLU 18 2HB GLU 18 -4.266 -9.160 -22.619 115 HG2 GLU 18 1HG GLU 18 -1.373 -9.855 -22.383 116 HG3 GLU 18 2HG GLU 18 -2.582 -9.653 -21.116 117 H GLU 19 H GLU 19 -5.751 -10.615 -25.432 118 HA GLU 19 HA GLU 19 -5.949 -9.031 -27.646 119 HB2 GLU 19 1HB GLU 19 -8.464 -9.056 -27.196 120 HB3 GLU 19 2HB GLU 19 -7.657 -10.613 -27.315 121 HG2 GLU 19 1HG GLU 19 -7.468 -10.292 -24.692 122 HG3 GLU 19 2HG GLU 19 -8.887 -9.285 -24.972 123 H VAL 20 H VAL 20 -7.225 -8.157 -24.430 124 HA VAL 20 HA VAL 20 -7.270 -5.346 -25.278 125 HB VAL 20 HB VAL 20 -8.542 -6.590 -22.836 126 HG11 VAL 20 1HG1 VAL 20 -8.980 -4.523 -22.158 127 HG12 VAL 20 2HG1 VAL 20 -7.992 -3.906 -23.484 128 HG13 VAL 20 3HG1 VAL 20 -9.727 -4.136 -23.707 129 HG21 VAL 20 3HG2 VAL 20 -10.593 -6.645 -23.983 130 HG22 VAL 20 1HG2 VAL 20 -9.973 -5.661 -25.309 131 HG23 VAL 20 2HG2 VAL 20 -9.423 -7.325 -25.114 132 H THR 21 H THR 21 -5.823 -3.949 -24.521 133 HA THR 21 HA THR 21 -4.285 -4.688 -22.117 134 HB THR 21 HB THR 21 -3.185 -3.037 -24.390 135 HG1 THR 21 1HG THR 21 -3.779 -5.432 -24.757 136 HG21 THR 21 3HG2 THR 21 -2.174 -2.923 -22.066 137 HG22 THR 21 1HG2 THR 21 -1.074 -3.373 -23.368 138 HG23 THR 21 2HG2 THR 21 -1.713 -4.610 -22.286 139 H CYS 22 H CYS 22 -3.759 -3.056 -20.669 140 HA CYS 22 HA CYS 22 -5.554 -0.807 -20.658 141 HB2 CYS 22 1HB CYS 22 -5.039 -2.009 -18.582 142 HB3 CYS 22 2HB CYS 22 -3.342 -1.567 -18.739 143 HA PRO 23 HA PRO 23 -2.744 1.917 -22.759 144 HB2 PRO 23 1HB PRO 23 -4.222 4.172 -22.441 145 HB3 PRO 23 2HB PRO 23 -4.620 2.922 -23.625 146 HG2 PRO 23 1HG PRO 23 -5.782 3.395 -20.907 147 HG3 PRO 23 2HG PRO 23 -6.609 2.988 -22.422 148 HD2 PRO 23 1HD PRO 23 -6.083 1.145 -20.510 149 HD3 PRO 23 2HD PRO 23 -6.110 0.746 -22.240 150 H ILE 24 H ILE 24 -3.320 1.708 -19.503 151 HA ILE 24 HA ILE 24 -1.683 4.068 -18.867 152 HB ILE 24 HB ILE 24 -3.567 2.434 -17.179 153 HG12 ILE 24 1HG1 ILE 24 -3.550 5.415 -17.348 154 HG13 ILE 24 2HG1 ILE 24 -4.163 4.507 -18.726 155 HG21 ILE 24 1HG2 ILE 24 -1.550 2.827 -15.871 156 HG22 ILE 24 2HG2 ILE 24 -1.631 4.548 -16.244 157 HG23 ILE 24 3HG2 ILE 24 -2.890 3.799 -15.262 158 HD11 ILE 24 3HD1 ILE 24 -5.248 4.713 -15.959 159 HD12 ILE 24 1HD1 ILE 24 -6.070 4.895 -17.509 160 HD13 ILE 24 2HD1 ILE 24 -5.603 3.292 -16.941 161 H CYS 25 H CYS 25 -2.144 0.871 -17.359 162 HA CYS 25 HA CYS 25 0.625 0.782 -16.572 163 HB2 CYS 25 1HB CYS 25 0.029 -1.393 -15.568 164 HB3 CYS 25 2HB CYS 25 -1.077 -0.115 -15.078 165 H LEU 26 H LEU 26 -1.027 0.027 -19.373 166 HA LEU 26 HA LEU 26 -0.643 -1.371 -21.155 167 HB2 LEU 26 1HB LEU 26 2.250 -0.807 -20.601 168 HB3 LEU 26 2HB LEU 26 1.445 -0.998 -22.157 169 HG LEU 26 HG LEU 26 1.027 1.342 -20.300 170 HD11 LEU 26 1HD1 LEU 26 2.621 2.539 -21.419 171 HD12 LEU 26 2HD1 LEU 26 2.509 1.546 -22.872 172 HD13 LEU 26 3HD1 LEU 26 3.356 0.936 -21.451 173 HD21 LEU 26 3HD2 LEU 26 -0.230 0.429 -22.766 174 HD22 LEU 26 1HD2 LEU 26 0.370 2.085 -22.860 175 HD23 LEU 26 2HD2 LEU 26 -0.771 1.631 -21.594 176 H GLU 27 H GLU 27 -1.029 -2.938 -18.957 177 HA GLU 27 HA GLU 27 1.054 -5.008 -19.192 178 HB2 GLU 27 1HB GLU 27 -0.875 -4.468 -16.928 179 HB3 GLU 27 2HB GLU 27 0.226 -5.838 -16.996 180 HG2 GLU 27 1HG GLU 27 2.016 -3.922 -17.322 181 HG3 GLU 27 2HG GLU 27 0.788 -2.972 -16.488 182 H LEU 28 H LEU 28 -2.366 -4.973 -18.192 183 HA LEU 28 HA LEU 28 -3.266 -6.497 -20.412 184 HB2 LEU 28 1HB LEU 28 -2.246 -8.387 -19.539 185 HB3 LEU 28 2HB LEU 28 -2.573 -7.913 -17.873 186 HG LEU 28 HG LEU 28 -4.894 -8.537 -18.106 187 HD11 LEU 28 1HD1 LEU 28 -4.852 -9.882 -20.623 188 HD12 LEU 28 2HD1 LEU 28 -4.401 -8.194 -20.858 189 HD13 LEU 28 3HD1 LEU 28 -5.924 -8.597 -20.066 190 HD21 LEU 28 3HD2 LEU 28 -4.601 -10.812 -18.001 191 HD22 LEU 28 1HD2 LEU 28 -2.945 -10.253 -17.767 192 HD23 LEU 28 2HD2 LEU 28 -3.461 -10.839 -19.348 193 H LEU 29 H LEU 29 -5.504 -6.689 -20.469 194 HA LEU 29 HA LEU 29 -6.954 -5.525 -18.186 195 HB2 LEU 29 1HB LEU 29 -7.106 -4.871 -21.093 196 HB3 LEU 29 2HB LEU 29 -8.551 -4.716 -20.096 197 HG LEU 29 HG LEU 29 -5.971 -3.183 -19.883 198 HD11 LEU 29 1HD1 LEU 29 -7.441 -2.223 -21.464 199 HD12 LEU 29 2HD1 LEU 29 -7.613 -1.270 -19.991 200 HD13 LEU 29 3HD1 LEU 29 -8.841 -2.461 -20.419 201 HD21 LEU 29 3HD2 LEU 29 -7.305 -2.059 -17.945 202 HD22 LEU 29 1HD2 LEU 29 -6.373 -3.525 -17.639 203 HD23 LEU 29 2HD2 LEU 29 -8.121 -3.621 -17.856 204 H THR 30 H THR 30 -7.720 -7.439 -17.378 205 HA THR 30 HA THR 30 -9.194 -9.220 -19.177 206 HB THR 30 HB THR 30 -7.730 -10.483 -17.841 207 HG1 THR 30 1HG THR 30 -9.182 -11.828 -17.019 208 HG21 THR 30 3HG2 THR 30 -6.878 -9.362 -16.081 209 HG22 THR 30 1HG2 THR 30 -8.196 -10.115 -15.185 210 HG23 THR 30 2HG2 THR 30 -8.373 -8.471 -15.798 211 H GLN 31 H GLN 31 -9.621 -7.134 -16.385 212 HA GLN 31 HA GLN 31 -12.528 -7.384 -16.727 213 HB2 GLN 31 1HB GLN 31 -12.808 -7.242 -14.274 214 HB3 GLN 31 2HB GLN 31 -11.964 -8.702 -14.774 215 HG2 GLN 31 1HG GLN 31 -9.818 -7.381 -14.288 216 HG3 GLN 31 2HG GLN 31 -10.872 -6.274 -13.409 217 HE21 GLN 31 1HE2 GLN 31 -12.482 -7.549 -11.945 218 HE22 GLN 31 2HE2 GLN 31 -11.745 -8.744 -10.939 219 HA PRO 32 HA PRO 32 -10.827 -2.968 -16.551 220 HB2 PRO 32 1HB PRO 32 -11.389 -2.289 -19.119 221 HB3 PRO 32 2HB PRO 32 -9.848 -3.002 -18.629 222 HG2 PRO 32 1HG PRO 32 -12.231 -4.316 -19.876 223 HG3 PRO 32 2HG PRO 32 -10.511 -4.539 -20.243 224 HD2 PRO 32 1HD PRO 32 -11.911 -6.278 -18.711 225 HD3 PRO 32 2HD PRO 32 -10.184 -5.957 -18.455 226 H LEU 33 H LEU 33 -12.113 -0.970 -17.098 227 HA LEU 33 HA LEU 33 -14.970 -1.530 -16.696 228 HB2 LEU 33 1HB LEU 33 -13.559 1.078 -16.200 229 HB3 LEU 33 2HB LEU 33 -15.150 0.582 -15.630 230 HG LEU 33 HG LEU 33 -12.507 -0.537 -14.699 231 HD11 LEU 33 1HD1 LEU 33 -12.516 1.395 -13.542 232 HD12 LEU 33 2HD1 LEU 33 -13.669 0.535 -12.522 233 HD13 LEU 33 3HD1 LEU 33 -14.247 1.647 -13.762 234 HD21 LEU 33 3HD2 LEU 33 -14.610 -1.180 -12.945 235 HD22 LEU 33 1HD2 LEU 33 -13.663 -2.277 -13.952 236 HD23 LEU 33 2HD2 LEU 33 -15.166 -1.590 -14.569 237 H SER 34 H SER 34 -16.477 0.135 -17.612 238 HA SER 34 HA SER 34 -15.591 0.875 -20.322 239 HB2 SER 34 1HB SER 34 -17.350 -0.796 -20.377 240 HB3 SER 34 2HB SER 34 -18.356 0.177 -19.304 241 HG SER 34 HG SER 34 -17.505 1.476 -21.578 242 H LEU 35 H LEU 35 -16.194 2.879 -21.179 243 HA LEU 35 HA LEU 35 -17.280 4.820 -19.253 244 HB2 LEU 35 1HB LEU 35 -15.055 5.375 -21.205 245 HB3 LEU 35 2HB LEU 35 -15.710 6.483 -20.001 246 HG LEU 35 HG LEU 35 -14.337 3.918 -19.238 247 HD11 LEU 35 1HD1 LEU 35 -12.494 5.813 -18.710 248 HD12 LEU 35 2HD1 LEU 35 -13.180 6.445 -20.206 249 HD13 LEU 35 3HD1 LEU 35 -12.496 4.820 -20.168 250 HD21 LEU 35 3HD2 LEU 35 -14.956 4.543 -17.202 251 HD22 LEU 35 1HD2 LEU 35 -15.673 6.024 -17.836 252 HD23 LEU 35 2HD2 LEU 35 -13.970 5.997 -17.377 253 H ASP 36 H ASP 36 -17.643 7.005 -20.605 254 HA ASP 36 HA ASP 36 -19.454 6.226 -22.767 255 HB2 ASP 36 1HB ASP 36 -19.216 8.762 -21.142 256 HB3 ASP 36 2HB ASP 36 -20.326 8.574 -22.496 257 H CYS 37 H CYS 37 -16.519 6.411 -23.078 258 HA CYS 37 HA CYS 37 -16.448 8.477 -25.179 259 HB2 CYS 37 1HB CYS 37 -14.158 8.898 -24.729 260 HB3 CYS 37 2HB CYS 37 -14.954 8.874 -23.159 261 H GLY 38 H GLY 38 -15.341 5.268 -24.182 262 HA2 GLY 38 1HA GLY 38 -15.623 3.506 -25.897 263 HA3 GLY 38 2HA GLY 38 -14.918 4.640 -27.039 264 H HIS 39 H HIS 39 -13.827 4.026 -23.739 265 HA HIS 39 HA HIS 39 -11.552 2.488 -24.699 266 HB2 HIS 39 1HB HIS 39 -11.266 5.163 -23.321 267 HB3 HIS 39 2HB HIS 39 -9.952 4.003 -23.486 268 HD2 HIS 39 2HD HIS 39 -9.336 3.452 -26.324 269 HE1 HIS 39 1HE HIS 39 -10.697 7.295 -27.496 270 HE2 HIS 39 2HE HIS 39 -9.458 5.221 -28.207 271 H SER 40 H SER 40 -10.935 0.984 -23.264 272 HA SER 40 HA SER 40 -12.296 0.941 -20.682 273 HB2 SER 40 1HB SER 40 -10.535 -1.303 -21.539 274 HB3 SER 40 2HB SER 40 -12.098 -1.346 -20.723 275 HG SER 40 HG SER 40 -12.202 -2.072 -22.908 276 H PHE 41 H PHE 41 -11.055 0.154 -18.776 277 HA PHE 41 HA PHE 41 -8.211 0.538 -18.742 278 HB2 PHE 41 1HB PHE 41 -9.940 2.519 -17.245 279 HB3 PHE 41 2HB PHE 41 -8.183 2.426 -17.188 280 HD1 PHE 41 2HD PHE 41 -11.043 3.079 -19.449 281 HD2 PHE 41 1HD PHE 41 -6.871 3.555 -18.755 282 HE1 PHE 41 2HE PHE 41 -10.905 4.622 -21.360 283 HE2 PHE 41 1HE PHE 41 -6.726 5.100 -20.665 284 HZ PHE 41 HZ PHE 41 -8.745 5.635 -21.971 285 H CYS 42 H CYS 42 -7.563 0.714 -16.218 286 HA CYS 42 HA CYS 42 -8.763 -1.658 -15.031 287 HB2 CYS 42 1HB CYS 42 -6.326 -0.043 -14.254 288 HB3 CYS 42 2HB CYS 42 -6.858 -1.507 -13.433 289 H GLN 43 H GLN 43 -9.806 -1.724 -13.081 290 HA GLN 43 HA GLN 43 -11.327 0.437 -12.264 291 HB2 GLN 43 1HB GLN 43 -11.978 -1.777 -11.633 292 HB3 GLN 43 2HB GLN 43 -10.476 -2.033 -10.755 293 HG2 GLN 43 1HG GLN 43 -12.052 -1.656 -9.092 294 HG3 GLN 43 2HG GLN 43 -11.226 -0.108 -9.260 295 HE21 GLN 43 1HE2 GLN 43 -12.387 1.653 -9.720 296 HE22 GLN 43 2HE2 GLN 43 -14.073 1.660 -10.091 297 H ALA 44 H ALA 44 -8.048 -0.311 -11.539 298 HA ALA 44 HA ALA 44 -7.972 1.564 -9.296 299 HB1 ALA 44 3HB ALA 44 -6.602 -0.806 -9.849 300 HB2 ALA 44 1HB ALA 44 -5.403 0.478 -10.009 301 HB3 ALA 44 2HB ALA 44 -6.318 0.306 -8.510 302 H CYS 45 H CYS 45 -6.172 0.992 -12.325 303 HA CYS 45 HA CYS 45 -4.625 3.239 -12.414 304 HB2 CYS 45 1HB CYS 45 -6.070 1.898 -14.707 305 HB3 CYS 45 2HB CYS 45 -4.779 3.078 -14.905 306 H LEU 46 H LEU 46 -8.016 2.962 -13.401 307 HA LEU 46 HA LEU 46 -8.346 5.539 -14.428 308 HB2 LEU 46 1HB LEU 46 -10.122 3.428 -13.370 309 HB3 LEU 46 2HB LEU 46 -10.790 5.058 -13.428 310 HG LEU 46 HG LEU 46 -9.523 3.894 -15.872 311 HD11 LEU 46 1HD1 LEU 46 -11.847 3.107 -16.490 312 HD12 LEU 46 2HD1 LEU 46 -12.243 3.234 -14.776 313 HD13 LEU 46 3HD1 LEU 46 -10.978 2.127 -15.309 314 HD21 LEU 46 3HD2 LEU 46 -11.395 5.282 -16.886 315 HD22 LEU 46 1HD2 LEU 46 -10.094 6.165 -16.088 316 HD23 LEU 46 2HD2 LEU 46 -11.639 5.941 -15.268 317 H THR 47 H THR 47 -8.906 4.319 -11.135 318 HA THR 47 HA THR 47 -9.815 6.681 -9.978 319 HB THR 47 HB THR 47 -8.178 4.483 -8.699 320 HG1 THR 47 1HG THR 47 -10.985 4.936 -8.909 321 HG21 THR 47 3HG2 THR 47 -10.042 6.298 -7.218 322 HG22 THR 47 1HG2 THR 47 -8.382 6.805 -7.532 323 HG23 THR 47 2HG2 THR 47 -8.696 5.337 -6.607 324 H ALA 48 H ALA 48 -6.505 5.495 -10.404 325 HA ALA 48 HA ALA 48 -5.313 7.728 -9.058 326 HB1 ALA 48 3HB ALA 48 -3.811 5.986 -10.965 327 HB2 ALA 48 1HB ALA 48 -3.276 6.715 -9.451 328 HB3 ALA 48 2HB ALA 48 -4.372 5.333 -9.427 329 H ASN 49 H ASN 49 -6.274 7.003 -12.319 330 HA ASN 49 HA ASN 49 -4.732 9.152 -13.484 331 HB2 ASN 49 1HB ASN 49 -5.242 7.041 -14.719 332 HB3 ASN 49 2HB ASN 49 -6.940 7.508 -14.737 333 HD21 ASN 49 1HD2 ASN 49 -7.649 8.838 -16.282 334 HD22 ASN 49 2HD2 ASN 49 -6.647 9.609 -17.459 335 H HIS 50 H HIS 50 -7.737 8.816 -11.933 336 HA HIS 50 HA HIS 50 -8.800 11.257 -13.166 337 HB2 HIS 50 1HB HIS 50 -10.070 9.094 -11.494 338 HB3 HIS 50 2HB HIS 50 -10.883 10.622 -11.822 339 HD2 HIS 50 2HD HIS 50 -9.263 10.013 -15.039 340 HE1 HIS 50 1HE HIS 50 -12.796 7.673 -15.243 341 HE2 HIS 50 2HE HIS 50 -10.851 8.620 -16.532 342 H LYS 51 H LYS 51 -7.962 9.847 -10.034 343 HA LYS 51 HA LYS 51 -8.684 12.117 -8.491 344 HB2 LYS 51 1HB LYS 51 -7.782 10.988 -6.660 345 HB3 LYS 51 2HB LYS 51 -8.283 9.681 -7.726 346 HG2 LYS 51 1HG LYS 51 -5.932 9.567 -8.559 347 HG3 LYS 51 2HG LYS 51 -5.494 10.724 -7.301 348 HD2 LYS 51 1HD LYS 51 -6.968 8.220 -6.589 349 HD3 LYS 51 2HD LYS 51 -5.224 8.173 -6.859 350 HE2 LYS 51 1HE LYS 51 -4.929 9.918 -5.158 351 HE3 LYS 51 2HE LYS 51 -6.670 9.936 -4.882 352 HZ1 LYS 51 3HZ LYS 51 -6.272 7.404 -4.465 353 HZ2 LYS 51 1HZ LYS 51 -5.983 8.533 -3.238 354 HZ3 LYS 51 2HZ LYS 51 -4.691 7.907 -4.132 355 H LYS 52 H LYS 52 -5.853 11.236 -10.299 356 HA LYS 52 HA LYS 52 -4.096 13.126 -9.054 357 HB2 LYS 52 1HB LYS 52 -2.486 12.459 -10.640 358 HB3 LYS 52 2HB LYS 52 -3.426 11.009 -10.314 359 HG2 LYS 52 1HG LYS 52 -3.341 10.900 -12.580 360 HG3 LYS 52 2HG LYS 52 -4.808 11.865 -12.396 361 HD2 LYS 52 1HD LYS 52 -3.355 12.838 -14.087 362 HD3 LYS 52 2HD LYS 52 -3.481 13.912 -12.692 363 HE2 LYS 52 1HE LYS 52 -1.163 13.581 -13.679 364 HE3 LYS 52 2HE LYS 52 -1.324 13.357 -11.938 365 HZ1 LYS 52 3HZ LYS 52 -1.417 10.968 -12.292 366 HZ2 LYS 52 1HZ LYS 52 0.011 11.611 -12.931 367 HZ3 LYS 52 2HZ LYS 52 -1.259 11.185 -13.963 368 H SER 53 H SER 53 -6.144 13.094 -11.921 369 HA SER 53 HA SER 53 -5.308 15.287 -13.305 370 HB2 SER 53 1HB SER 53 -8.092 14.276 -12.749 371 HB3 SER 53 2HB SER 53 -7.809 15.666 -13.798 372 HG SER 53 HG SER 53 -6.267 13.419 -14.305 373 H MET 54 H MET 54 -6.691 15.223 -10.149 374 HA MET 54 HA MET 54 -7.740 17.798 -9.940 375 HB2 MET 54 1HB MET 54 -6.627 15.819 -8.008 376 HB3 MET 54 2HB MET 54 -6.882 17.466 -7.447 377 HG2 MET 54 1HG MET 54 -8.894 16.589 -6.903 378 HG3 MET 54 2HG MET 54 -9.251 17.087 -8.556 379 HE1 MET 54 3HE MET 54 -10.355 16.040 -9.886 380 HE2 MET 54 1HE MET 54 -9.979 14.451 -10.554 381 HE3 MET 54 2HE MET 54 -11.254 14.621 -9.348 382 H LEU 55 H LEU 55 -4.430 16.637 -9.414 383 HA LEU 55 HA LEU 55 -3.441 19.253 -8.751 384 HB2 LEU 55 1HB LEU 55 -1.975 16.710 -9.441 385 HB3 LEU 55 2HB LEU 55 -1.230 18.176 -8.808 386 HG LEU 55 HG LEU 55 -2.819 17.826 -6.792 387 HD11 LEU 55 1HD1 LEU 55 -4.257 16.135 -7.230 388 HD12 LEU 55 2HD1 LEU 55 -2.936 15.167 -6.575 389 HD13 LEU 55 3HD1 LEU 55 -3.139 15.315 -8.320 390 HD21 LEU 55 3HD2 LEU 55 -0.425 17.650 -6.611 391 HD22 LEU 55 1HD2 LEU 55 -0.449 16.043 -7.337 392 HD23 LEU 55 2HD2 LEU 55 -1.167 16.302 -5.747 393 H ASP 56 H ASP 56 -3.562 17.217 -11.608 394 HA ASP 56 HA ASP 56 -1.774 18.687 -13.215 395 HB2 ASP 56 1HB ASP 56 -3.908 16.672 -13.692 396 HB3 ASP 56 2HB ASP 56 -3.404 17.647 -15.070 397 H LYS 57 H LYS 57 -5.290 18.557 -13.739 398 HA LYS 57 HA LYS 57 -5.215 21.446 -14.320 399 HB2 LYS 57 1HB LYS 57 -7.134 20.968 -15.895 400 HB3 LYS 57 2HB LYS 57 -5.567 20.347 -16.397 401 HG2 LYS 57 1HG LYS 57 -6.210 18.126 -15.531 402 HG3 LYS 57 2HG LYS 57 -7.807 18.771 -15.145 403 HD2 LYS 57 1HD LYS 57 -8.080 17.731 -17.228 404 HD3 LYS 57 2HD LYS 57 -7.932 19.448 -17.608 405 HE2 LYS 57 1HE LYS 57 -6.582 18.249 -19.163 406 HE3 LYS 57 2HE LYS 57 -5.497 19.055 -18.032 407 HZ1 LYS 57 3HZ LYS 57 -5.784 16.720 -16.820 408 HZ2 LYS 57 1HZ LYS 57 -4.576 17.015 -17.966 409 HZ3 LYS 57 2HZ LYS 57 -5.995 16.217 -18.421 410 H GLY 58 H GLY 58 -7.271 18.761 -13.225 411 HA2 GLY 58 1HA GLY 58 -8.305 19.418 -10.961 412 HA3 GLY 58 2HA GLY 58 -9.020 20.723 -11.897 413 H GLU 59 H GLU 59 -9.610 19.292 -14.250 414 HA GLU 59 HA GLU 59 -11.805 17.605 -13.261 415 HB2 GLU 59 1HB GLU 59 -11.519 19.046 -15.903 416 HB3 GLU 59 2HB GLU 59 -12.906 18.084 -15.411 417 HG2 GLU 59 1HG GLU 59 -13.418 20.402 -15.119 418 HG3 GLU 59 2HG GLU 59 -13.279 19.643 -13.535 419 H SER 60 H SER 60 -11.448 15.499 -13.410 420 HA SER 60 HA SER 60 -9.395 14.278 -14.837 421 HB2 SER 60 1HB SER 60 -11.969 12.846 -14.216 422 HB3 SER 60 2HB SER 60 -10.321 12.220 -14.178 423 HG SER 60 HG SER 60 -10.420 12.664 -12.131 424 H SER 61 H SER 61 -9.703 12.596 -16.570 425 HA SER 61 HA SER 61 -11.859 12.700 -18.375 426 HB2 SER 61 1HB SER 61 -10.864 15.001 -18.734 427 HB3 SER 61 2HB SER 61 -9.429 14.198 -19.370 428 HG SER 61 HG SER 61 -10.736 14.646 -21.097 429 H CYS 62 H CYS 62 -11.238 11.675 -20.536 430 HA CYS 62 HA CYS 62 -9.908 9.240 -20.023 431 HB2 CYS 62 1HB CYS 62 -11.726 9.571 -21.711 432 HB3 CYS 62 2HB CYS 62 -10.569 10.430 -22.723 433 HA PRO 63 HA PRO 63 -5.747 10.738 -20.622 434 HB2 PRO 63 1HB PRO 63 -4.540 8.350 -20.161 435 HB3 PRO 63 2HB PRO 63 -5.165 9.376 -18.865 436 HG2 PRO 63 1HG PRO 63 -6.409 6.973 -20.145 437 HG3 PRO 63 2HG PRO 63 -6.336 7.414 -18.429 438 HD2 PRO 63 1HD PRO 63 -8.543 7.819 -19.945 439 HD3 PRO 63 2HD PRO 63 -8.094 8.894 -18.606 440 H VAL 64 H VAL 64 -7.613 8.960 -22.645 441 HA VAL 64 HA VAL 64 -5.397 8.410 -24.510 442 HB VAL 64 HB VAL 64 -8.093 7.105 -24.217 443 HG11 VAL 64 1HG1 VAL 64 -6.505 7.492 -26.640 444 HG12 VAL 64 2HG1 VAL 64 -6.905 5.805 -26.309 445 HG13 VAL 64 3HG1 VAL 64 -8.190 7.006 -26.452 446 HG21 VAL 64 3HG2 VAL 64 -6.851 5.654 -23.067 447 HG22 VAL 64 1HG2 VAL 64 -6.111 5.205 -24.603 448 HG23 VAL 64 2HG2 VAL 64 -5.350 6.423 -23.580 449 H CYS 65 H CYS 65 -8.838 9.357 -24.507 450 HA CYS 65 HA CYS 65 -8.311 10.954 -26.924 451 HB2 CYS 65 1HB CYS 65 -10.653 10.750 -27.462 452 HB3 CYS 65 2HB CYS 65 -10.017 9.143 -27.126 453 H ARG 66 H ARG 66 -8.959 11.152 -23.618 454 HA ARG 66 HA ARG 66 -9.588 12.832 -22.208 455 HB2 ARG 66 1HB ARG 66 -8.382 14.518 -24.410 456 HB3 ARG 66 2HB ARG 66 -8.674 15.048 -22.759 457 HG2 ARG 66 1HG ARG 66 -7.007 12.628 -23.156 458 HG3 ARG 66 2HG ARG 66 -6.307 14.195 -23.565 459 HD2 ARG 66 1HD ARG 66 -7.654 13.671 -20.929 460 HD3 ARG 66 2HD ARG 66 -5.942 13.342 -21.193 461 HE ARG 66 HE ARG 66 -7.204 15.932 -20.948 462 HH11 ARG 66 1HH1 ARG 66 -4.394 14.144 -21.962 463 HH12 ARG 66 2HH1 ARG 66 -3.331 15.509 -21.870 464 HH21 ARG 66 1HH2 ARG 66 -5.814 17.737 -20.823 465 HH22 ARG 66 2HH2 ARG 66 -4.140 17.552 -21.221 466 H ILE 67 H ILE 67 -11.712 11.945 -23.715 467 HA ILE 67 HA ILE 67 -13.102 14.083 -24.999 468 HB ILE 67 HB ILE 67 -13.497 11.649 -25.461 469 HG12 ILE 67 1HG1 ILE 67 -16.049 13.012 -24.623 470 HG13 ILE 67 2HG1 ILE 67 -15.095 13.599 -25.980 471 HG21 ILE 67 1HG2 ILE 67 -14.566 11.803 -22.684 472 HG22 ILE 67 2HG2 ILE 67 -15.326 10.707 -23.838 473 HG23 ILE 67 3HG2 ILE 67 -13.613 10.536 -23.457 474 HD11 ILE 67 3HD1 ILE 67 -15.646 10.737 -26.085 475 HD12 ILE 67 1HD1 ILE 67 -17.088 11.750 -26.127 476 HD13 ILE 67 2HD1 ILE 67 -15.816 11.977 -27.327 477 H SER 68 H SER 68 -15.337 14.729 -24.247 478 HA SER 68 HA SER 68 -15.131 15.623 -21.480 479 HB2 SER 68 1HB SER 68 -16.862 16.434 -23.809 480 HB3 SER 68 2HB SER 68 -17.214 16.975 -22.168 481 HG SER 68 HG SER 68 -15.809 18.477 -22.579 482 H TYR 69 H TYR 69 -15.743 13.981 -20.160 483 HA TYR 69 HA TYR 69 -18.558 13.270 -20.185 484 HB2 TYR 69 1HB TYR 69 -18.275 10.925 -20.269 485 HB3 TYR 69 2HB TYR 69 -17.283 11.554 -21.580 486 HD1 TYR 69 2HD TYR 69 -14.779 12.216 -20.635 487 HD2 TYR 69 1HD TYR 69 -17.335 9.163 -19.133 488 HE1 TYR 69 2HE TYR 69 -12.823 11.032 -19.729 489 HE2 TYR 69 1HE TYR 69 -15.385 7.972 -18.222 490 HH TYR 69 HH TYR 69 -12.550 8.161 -19.074 491 H GLN 70 H GLN 70 -19.252 13.569 -18.184 492 HA GLN 70 HA GLN 70 -17.553 13.955 -15.974 493 HB2 GLN 70 1HB GLN 70 -20.519 13.394 -16.094 494 HB3 GLN 70 2HB GLN 70 -19.663 13.876 -14.635 495 HG2 GLN 70 1HG GLN 70 -19.337 16.024 -15.366 496 HG3 GLN 70 2HG GLN 70 -19.446 15.577 -17.068 497 HE21 GLN 70 1HE2 GLN 70 -21.013 16.934 -17.725 498 HE22 GLN 70 2HE2 GLN 70 -22.628 16.935 -17.110 499 HA PRO 71 HA PRO 71 -16.809 9.598 -15.205 500 HB2 PRO 71 1HB PRO 71 -14.949 10.016 -13.272 501 HB3 PRO 71 2HB PRO 71 -14.588 10.148 -14.997 502 HG2 PRO 71 1HG PRO 71 -15.175 12.312 -13.014 503 HG3 PRO 71 2HG PRO 71 -13.939 12.264 -14.284 504 HD2 PRO 71 1HD PRO 71 -16.270 13.611 -14.571 505 HD3 PRO 71 2HD PRO 71 -15.435 12.845 -15.938 506 H GLU 72 H GLU 72 -18.456 11.852 -13.443 507 HA GLU 72 HA GLU 72 -18.525 10.632 -10.873 508 HB2 GLU 72 1HB GLU 72 -19.165 13.035 -11.502 509 HB3 GLU 72 2HB GLU 72 -20.702 12.363 -12.027 510 HG2 GLU 72 1HG GLU 72 -20.906 13.235 -9.794 511 HG3 GLU 72 2HG GLU 72 -21.073 11.480 -9.769 512 H ASN 73 H ASN 73 -20.619 10.467 -13.725 513 HA ASN 73 HA ASN 73 -22.149 8.316 -12.434 514 HB2 ASN 73 1HB ASN 73 -22.778 10.114 -14.777 515 HB3 ASN 73 2HB ASN 73 -23.751 8.704 -14.369 516 HD21 ASN 73 1HD2 ASN 73 -23.290 11.969 -13.862 517 HD22 ASN 73 2HD2 ASN 73 -24.306 12.168 -12.479 518 H ILE 74 H ILE 74 -19.949 7.183 -12.963 519 HA ILE 74 HA ILE 74 -19.951 6.148 -15.706 520 HB ILE 74 HB ILE 74 -17.888 5.802 -13.526 521 HG12 ILE 74 1HG1 ILE 74 -18.079 8.121 -14.378 522 HG13 ILE 74 2HG1 ILE 74 -16.539 7.378 -14.797 523 HG21 ILE 74 1HG2 ILE 74 -16.517 4.719 -15.101 524 HG22 ILE 74 2HG2 ILE 74 -18.105 3.976 -15.280 525 HG23 ILE 74 3HG2 ILE 74 -17.559 5.180 -16.447 526 HD11 ILE 74 3HD1 ILE 74 -16.897 7.733 -16.947 527 HD12 ILE 74 1HD1 ILE 74 -18.458 6.916 -16.876 528 HD13 ILE 74 2HD1 ILE 74 -18.346 8.637 -16.507 529 H ARG 75 H ARG 75 -20.086 3.958 -16.165 530 HA ARG 75 HA ARG 75 -20.595 2.109 -13.962 531 HB2 ARG 75 1HB ARG 75 -22.685 1.367 -14.761 532 HB3 ARG 75 2HB ARG 75 -22.778 3.123 -14.808 533 HG2 ARG 75 1HG ARG 75 -22.013 2.839 -17.272 534 HG3 ARG 75 2HG ARG 75 -22.573 1.178 -17.061 535 HD2 ARG 75 1HD ARG 75 -24.769 1.805 -16.817 536 HD3 ARG 75 2HD ARG 75 -24.354 3.410 -16.215 537 HE ARG 75 HE ARG 75 -23.613 3.013 -18.954 538 HH11 ARG 75 1HH1 ARG 75 -26.221 3.865 -16.811 539 HH12 ARG 75 2HH1 ARG 75 -27.084 4.770 -18.010 540 HH21 ARG 75 1HH2 ARG 75 -24.741 4.202 -20.542 541 HH22 ARG 75 2HH2 ARG 75 -26.242 4.960 -20.132 542 HA PRO 76 HA PRO 76 -18.087 -0.486 -16.503 543 HB2 PRO 76 1HB PRO 76 -18.580 -2.839 -15.241 544 HB3 PRO 76 2HB PRO 76 -17.538 -1.584 -14.561 545 HG2 PRO 76 1HG PRO 76 -20.401 -2.207 -13.949 546 HG3 PRO 76 2HG PRO 76 -19.080 -1.812 -12.835 547 HD2 PRO 76 1HD PRO 76 -20.935 0.007 -13.597 548 HD3 PRO 76 2HD PRO 76 -19.257 0.452 -13.228 549 H ASN 77 H ASN 77 -18.427 -2.938 -17.352 550 HA ASN 77 HA ASN 77 -20.938 -2.848 -18.875 551 HB2 ASN 77 1HB ASN 77 -19.603 -4.597 -20.303 552 HB3 ASN 77 2HB ASN 77 -19.247 -2.879 -20.460 553 HD21 ASN 77 1HD2 ASN 77 -18.281 -5.709 -18.557 554 HD22 ASN 77 2HD2 ASN 77 -16.599 -5.319 -18.513 555 H ARG 78 H ARG 78 -21.008 -3.819 -16.240 556 HA ARG 78 HA ARG 78 -22.289 -6.307 -16.629 557 HB2 ARG 78 1HB ARG 78 -20.001 -7.157 -16.767 558 HB3 ARG 78 2HB ARG 78 -19.613 -6.405 -15.225 559 HG2 ARG 78 1HG ARG 78 -19.962 -8.671 -14.746 560 HG3 ARG 78 2HG ARG 78 -21.437 -7.854 -14.224 561 HD2 ARG 78 1HD ARG 78 -21.995 -9.888 -15.410 562 HD3 ARG 78 2HD ARG 78 -22.511 -8.486 -16.345 563 HE ARG 78 HE ARG 78 -21.016 -9.066 -17.985 564 HH11 ARG 78 1HH1 ARG 78 -20.315 -10.867 -15.089 565 HH12 ARG 78 2HH1 ARG 78 -19.160 -11.905 -15.858 566 HH21 ARG 78 1HH2 ARG 78 -19.497 -10.426 -19.008 567 HH22 ARG 78 2HH2 ARG 78 -18.695 -11.652 -18.087 568 H HIS 79 H HIS 79 -23.876 -6.313 -15.189 569 HA HIS 79 HA HIS 79 -23.505 -4.823 -12.681 570 HB2 HIS 79 1HB HIS 79 -26.079 -5.616 -14.058 571 HB3 HIS 79 2HB HIS 79 -25.943 -4.631 -12.604 572 HD2 HIS 79 2HD HIS 79 -26.873 -3.853 -15.953 573 HE1 HIS 79 1HE HIS 79 -24.081 -0.775 -15.097 574 HE2 HIS 79 2HE HIS 79 -25.983 -1.506 -16.577 575 H VAL 80 H VAL 80 -23.248 -5.972 -10.893 576 HA VAL 80 HA VAL 80 -24.777 -8.409 -10.478 577 HB VAL 80 HB VAL 80 -21.769 -8.367 -10.584 578 HG11 VAL 80 1HG1 VAL 80 -23.530 -10.398 -9.215 579 HG12 VAL 80 2HG1 VAL 80 -21.807 -10.600 -9.539 580 HG13 VAL 80 3HG1 VAL 80 -22.357 -9.332 -8.442 581 HG21 VAL 80 3HG2 VAL 80 -22.405 -10.623 -11.769 582 HG22 VAL 80 1HG2 VAL 80 -23.964 -9.824 -11.976 583 HG23 VAL 80 2HG2 VAL 80 -22.503 -9.090 -12.636 584 H ALA 81 H ALA 81 -24.829 -9.092 -8.272 585 HA ALA 81 HA ALA 81 -24.104 -6.939 -6.399 586 HB1 ALA 81 3HB ALA 81 -26.551 -7.561 -6.740 587 HB2 ALA 81 1HB ALA 81 -26.173 -9.054 -5.880 588 HB3 ALA 81 2HB ALA 81 -25.963 -7.496 -5.078 589 H ASN 82 H ASN 82 -21.995 -7.685 -6.000 590 HA ASN 82 HA ASN 82 -21.787 -10.305 -4.682 591 HB2 ASN 82 1HB ASN 82 -19.850 -8.612 -6.213 592 HB3 ASN 82 2HB ASN 82 -19.235 -9.726 -4.996 593 HD21 ASN 82 1HD2 ASN 82 -18.182 -10.701 -6.861 594 HD22 ASN 82 2HD2 ASN 82 -19.056 -11.857 -7.803 595 H ILE 83 H ILE 83 -21.776 -10.277 -2.542 596 HA ILE 83 HA ILE 83 -21.187 -7.834 -1.097 597 HB ILE 83 HB ILE 83 -22.007 -10.554 -0.069 598 HG12 ILE 83 1HG1 ILE 83 -23.683 -8.050 -0.250 599 HG13 ILE 83 2HG1 ILE 83 -23.648 -9.260 -1.528 600 HG21 ILE 83 1HG2 ILE 83 -22.373 -9.522 2.052 601 HG22 ILE 83 2HG2 ILE 83 -20.732 -9.130 1.541 602 HG23 ILE 83 3HG2 ILE 83 -22.011 -7.925 1.400 603 HD11 ILE 83 3HD1 ILE 83 -24.948 -9.319 1.101 604 HD12 ILE 83 1HD1 ILE 83 -25.408 -10.089 -0.417 605 HD13 ILE 83 2HD1 ILE 83 -24.169 -10.820 0.604 606 H VAL 84 H VAL 84 -19.274 -7.340 -0.268 607 HA VAL 84 HA VAL 84 -17.266 -9.477 0.004 608 HB VAL 84 HB VAL 84 -15.562 -7.714 -0.142 609 HG11 VAL 84 1HG1 VAL 84 -16.469 -6.900 -2.565 610 HG12 VAL 84 2HG1 VAL 84 -15.726 -8.469 -2.254 611 HG13 VAL 84 3HG1 VAL 84 -17.483 -8.314 -2.281 612 HG21 VAL 84 3HG2 VAL 84 -17.398 -5.981 0.694 613 HG22 VAL 84 1HG2 VAL 84 -15.994 -5.481 -0.250 614 HG23 VAL 84 2HG2 VAL 84 -17.553 -5.706 -1.041 615 H GLU 85 H GLU 85 -15.975 -9.586 1.855 616 HA GLU 85 HA GLU 85 -16.755 -7.876 4.110 617 HB2 GLU 85 1HB GLU 85 -17.975 -10.085 4.166 618 HB3 GLU 85 2HB GLU 85 -16.410 -10.865 4.356 619 HG2 GLU 85 1HG GLU 85 -16.081 -9.969 6.477 620 HG3 GLU 85 2HG GLU 85 -17.299 -8.717 6.239 Start of MODEL 9 1 H1 GLY 1 H GLY 1 31.997 -33.111 -12.379 2 HA2 GLY 1 1HA GLY 1 31.719 -30.401 -13.337 3 HA3 GLY 1 2HA GLY 1 31.869 -31.593 -14.619 4 H SER 2 H SER 2 29.838 -31.486 -15.455 5 HA SER 2 HA SER 2 27.771 -32.881 -14.077 6 HB2 SER 2 1HB SER 2 26.193 -31.169 -13.707 7 HB3 SER 2 2HB SER 2 27.709 -30.492 -13.111 8 HG SER 2 HG SER 2 26.589 -30.026 -15.679 9 H SER 3 H SER 3 25.658 -32.746 -15.403 10 HA SER 3 HA SER 3 26.382 -33.245 -18.157 11 HB2 SER 3 1HB SER 3 23.823 -33.576 -16.592 12 HB3 SER 3 2HB SER 3 23.907 -33.857 -18.331 13 HG SER 3 HG SER 3 24.297 -35.805 -17.405 14 H GLY 4 H GLY 4 24.592 -32.498 -19.814 15 HA2 GLY 4 1HA GLY 4 24.417 -29.572 -19.511 16 HA3 GLY 4 2HA GLY 4 24.483 -30.429 -21.044 17 H SER 5 H SER 5 22.459 -29.531 -18.336 18 HA SER 5 HA SER 5 20.092 -30.483 -19.797 19 HB2 SER 5 1HB SER 5 18.898 -30.347 -17.674 20 HB3 SER 5 2HB SER 5 20.363 -31.309 -17.474 21 HG SER 5 HG SER 5 21.051 -29.903 -16.081 22 H SER 6 H SER 6 19.322 -28.945 -21.095 23 HA SER 6 HA SER 6 19.174 -26.190 -20.061 24 HB2 SER 6 1HB SER 6 19.220 -27.100 -22.948 25 HB3 SER 6 2HB SER 6 19.191 -25.429 -22.385 26 HG SER 6 HG SER 6 21.217 -26.924 -21.302 27 H GLY 7 H GLY 7 17.234 -25.223 -19.895 28 HA2 GLY 7 1HA GLY 7 14.988 -24.801 -20.536 29 HA3 GLY 7 2HA GLY 7 14.935 -26.386 -21.294 30 H MET 8 H MET 8 12.854 -25.638 -19.733 31 HA MET 8 HA MET 8 13.190 -27.382 -17.389 32 HB2 MET 8 1HB MET 8 11.657 -24.777 -17.458 33 HB3 MET 8 2HB MET 8 11.688 -25.900 -16.106 34 HG2 MET 8 1HG MET 8 13.267 -24.438 -15.404 35 HG3 MET 8 2HG MET 8 14.291 -25.539 -16.322 36 HE1 MET 8 3HE MET 8 16.032 -24.116 -18.531 37 HE2 MET 8 1HE MET 8 16.343 -22.875 -17.316 38 HE3 MET 8 2HE MET 8 16.056 -24.543 -16.819 39 H ALA 9 H ALA 9 11.982 -29.118 -17.764 40 HA ALA 9 HA ALA 9 9.611 -28.961 -19.424 41 HB1 ALA 9 3HB ALA 9 11.195 -30.833 -19.658 42 HB2 ALA 9 1HB ALA 9 10.805 -31.346 -18.016 43 HB3 ALA 9 2HB ALA 9 9.563 -31.376 -19.268 44 H SER 10 H SER 10 8.220 -27.708 -18.122 45 HA SER 10 HA SER 10 7.138 -29.156 -15.794 46 HB2 SER 10 1HB SER 10 7.625 -26.205 -16.164 47 HB3 SER 10 2HB SER 10 6.466 -26.808 -14.980 48 HG SER 10 HG SER 10 8.167 -26.960 -13.752 49 H GLY 11 H GLY 11 4.891 -29.087 -15.485 50 HA2 GLY 11 1HA GLY 11 3.377 -28.932 -17.918 51 HA3 GLY 11 2HA GLY 11 2.754 -29.342 -16.327 52 H ILE 12 H ILE 12 4.002 -26.539 -18.136 53 HA ILE 12 HA ILE 12 2.079 -24.854 -16.678 54 HB ILE 12 HB ILE 12 3.450 -22.937 -17.339 55 HG12 ILE 12 1HG1 ILE 12 5.416 -24.940 -18.457 56 HG13 ILE 12 2HG1 ILE 12 4.300 -24.016 -19.457 57 HG21 ILE 12 1HG2 ILE 12 5.377 -23.394 -15.919 58 HG22 ILE 12 2HG2 ILE 12 3.907 -24.076 -15.224 59 HG23 ILE 12 3HG2 ILE 12 5.066 -25.126 -16.039 60 HD11 ILE 12 3HD1 ILE 12 6.465 -22.893 -17.695 61 HD12 ILE 12 1HD1 ILE 12 6.485 -22.993 -19.456 62 HD13 ILE 12 2HD1 ILE 12 5.324 -21.941 -18.645 63 H LEU 13 H LEU 13 0.600 -23.627 -17.756 64 HA LEU 13 HA LEU 13 0.596 -23.768 -20.694 65 HB2 LEU 13 1HB LEU 13 -1.513 -24.570 -18.770 66 HB3 LEU 13 2HB LEU 13 -2.028 -23.746 -20.240 67 HG LEU 13 HG LEU 13 -0.491 -25.615 -21.353 68 HD11 LEU 13 1HD1 LEU 13 -1.560 -27.563 -19.589 69 HD12 LEU 13 2HD1 LEU 13 -0.610 -26.421 -18.638 70 HD13 LEU 13 3HD1 LEU 13 0.127 -27.258 -20.004 71 HD21 LEU 13 3HD2 LEU 13 -3.352 -25.739 -20.468 72 HD22 LEU 13 1HD2 LEU 13 -2.629 -27.040 -21.414 73 HD23 LEU 13 2HD2 LEU 13 -2.696 -25.405 -22.071 74 H VAL 14 H VAL 14 0.466 -21.836 -21.616 75 HA VAL 14 HA VAL 14 -0.628 -19.600 -20.034 76 HB VAL 14 HB VAL 14 1.544 -19.544 -22.132 77 HG11 VAL 14 1HG1 VAL 14 0.537 -17.517 -22.502 78 HG12 VAL 14 2HG1 VAL 14 -0.052 -17.383 -20.843 79 HG13 VAL 14 3HG1 VAL 14 1.650 -17.089 -21.203 80 HG21 VAL 14 3HG2 VAL 14 2.066 -20.368 -19.775 81 HG22 VAL 14 1HG2 VAL 14 3.052 -19.047 -20.401 82 HG23 VAL 14 2HG2 VAL 14 1.756 -18.713 -19.252 83 H ASN 15 H ASN 15 -2.546 -18.974 -20.760 84 HA ASN 15 HA ASN 15 -3.830 -19.730 -23.051 85 HB2 ASN 15 1HB ASN 15 -4.086 -17.264 -21.351 86 HB3 ASN 15 2HB ASN 15 -5.100 -17.482 -22.774 87 HD21 ASN 15 1HD2 ASN 15 -7.015 -18.244 -22.298 88 HD22 ASN 15 2HD2 ASN 15 -7.387 -19.375 -21.046 89 H VAL 16 H VAL 16 -4.520 -18.286 -24.902 90 HA VAL 16 HA VAL 16 -2.308 -17.649 -26.491 91 HB VAL 16 HB VAL 16 -3.816 -16.888 -28.136 92 HG11 VAL 16 1HG1 VAL 16 -4.521 -18.988 -28.323 93 HG12 VAL 16 2HG1 VAL 16 -4.471 -19.218 -26.574 94 HG13 VAL 16 3HG1 VAL 16 -5.914 -18.548 -27.335 95 HG21 VAL 16 3HG2 VAL 16 -5.726 -16.354 -25.869 96 HG22 VAL 16 1HG2 VAL 16 -4.999 -15.185 -26.972 97 HG23 VAL 16 2HG2 VAL 16 -6.201 -16.330 -27.568 98 H LYS 17 H LYS 17 -1.947 -15.487 -27.539 99 HA LYS 17 HA LYS 17 -1.032 -13.615 -25.750 100 HB2 LYS 17 1HB LYS 17 -1.104 -11.998 -27.681 101 HB3 LYS 17 2HB LYS 17 -0.287 -13.520 -28.012 102 HG2 LYS 17 1HG LYS 17 -1.535 -13.366 -29.896 103 HG3 LYS 17 2HG LYS 17 -2.700 -14.201 -28.866 104 HD2 LYS 17 1HD LYS 17 -3.861 -12.418 -29.931 105 HD3 LYS 17 2HD LYS 17 -3.617 -11.943 -28.249 106 HE2 LYS 17 1HE LYS 17 -2.034 -10.355 -28.789 107 HE3 LYS 17 2HE LYS 17 -1.606 -11.146 -30.305 108 HZ1 LYS 17 3HZ LYS 17 -4.059 -9.577 -29.739 109 HZ2 LYS 17 1HZ LYS 17 -3.825 -10.480 -31.151 110 HZ3 LYS 17 2HZ LYS 17 -2.809 -9.172 -30.805 111 H GLU 18 H GLU 18 -1.831 -11.190 -25.878 112 HA GLU 18 HA GLU 18 -4.687 -11.218 -25.154 113 HB2 GLU 18 1HB GLU 18 -4.159 -9.280 -23.691 114 HB3 GLU 18 2HB GLU 18 -3.325 -10.755 -23.221 115 HG2 GLU 18 1HG GLU 18 -1.932 -8.847 -25.025 116 HG3 GLU 18 2HG GLU 18 -2.081 -8.446 -23.315 117 H GLU 19 H GLU 19 -6.043 -9.710 -26.008 118 HA GLU 19 HA GLU 19 -4.932 -8.055 -28.163 119 HB2 GLU 19 1HB GLU 19 -7.223 -7.967 -29.038 120 HB3 GLU 19 2HB GLU 19 -6.673 -9.625 -28.840 121 HG2 GLU 19 1HG GLU 19 -8.070 -10.012 -27.034 122 HG3 GLU 19 2HG GLU 19 -8.265 -8.294 -26.691 123 H VAL 20 H VAL 20 -6.920 -7.928 -25.265 124 HA VAL 20 HA VAL 20 -7.228 -5.033 -25.532 125 HB VAL 20 HB VAL 20 -8.377 -6.932 -23.482 126 HG11 VAL 20 1HG1 VAL 20 -7.995 -4.198 -23.251 127 HG12 VAL 20 2HG1 VAL 20 -9.678 -4.358 -23.756 128 HG13 VAL 20 3HG1 VAL 20 -9.108 -5.187 -22.307 129 HG21 VAL 20 3HG2 VAL 20 -9.237 -6.076 -26.140 130 HG22 VAL 20 1HG2 VAL 20 -9.760 -7.450 -25.165 131 HG23 VAL 20 2HG2 VAL 20 -10.464 -5.856 -24.893 132 H THR 21 H THR 21 -5.696 -3.775 -24.722 133 HA THR 21 HA THR 21 -4.336 -4.627 -22.248 134 HB THR 21 HB THR 21 -3.076 -2.912 -24.389 135 HG1 THR 21 1HG THR 21 -3.620 -5.380 -24.720 136 HG21 THR 21 3HG2 THR 21 -1.902 -4.425 -22.053 137 HG22 THR 21 1HG2 THR 21 -2.140 -2.680 -22.133 138 HG23 THR 21 2HG2 THR 21 -0.998 -3.465 -23.224 139 H CYS 22 H CYS 22 -3.775 -2.997 -20.757 140 HA CYS 22 HA CYS 22 -5.621 -0.786 -20.711 141 HB2 CYS 22 1HB CYS 22 -5.113 -2.029 -18.658 142 HB3 CYS 22 2HB CYS 22 -3.421 -1.555 -18.780 143 HA PRO 23 HA PRO 23 -2.830 2.036 -22.706 144 HB2 PRO 23 1HB PRO 23 -4.359 4.254 -22.367 145 HB3 PRO 23 2HB PRO 23 -4.710 3.022 -23.585 146 HG2 PRO 23 1HG PRO 23 -5.930 3.412 -20.879 147 HG3 PRO 23 2HG PRO 23 -6.721 3.022 -22.418 148 HD2 PRO 23 1HD PRO 23 -6.191 1.149 -20.536 149 HD3 PRO 23 2HD PRO 23 -6.180 0.787 -22.274 150 H ILE 24 H ILE 24 -3.444 1.734 -19.470 151 HA ILE 24 HA ILE 24 -1.874 4.117 -18.752 152 HB ILE 24 HB ILE 24 -3.769 2.415 -17.151 153 HG12 ILE 24 1HG1 ILE 24 -3.722 5.408 -17.261 154 HG13 ILE 24 2HG1 ILE 24 -4.387 4.506 -18.619 155 HG21 ILE 24 1HG2 ILE 24 -1.791 2.747 -15.780 156 HG22 ILE 24 2HG2 ILE 24 -1.842 4.480 -16.098 157 HG23 ILE 24 3HG2 ILE 24 -3.132 3.715 -15.170 158 HD11 ILE 24 3HD1 ILE 24 -5.754 3.306 -16.727 159 HD12 ILE 24 1HD1 ILE 24 -5.408 4.794 -15.847 160 HD13 ILE 24 2HD1 ILE 24 -6.268 4.859 -17.386 161 H CYS 25 H CYS 25 -2.291 0.875 -17.328 162 HA CYS 25 HA CYS 25 0.472 0.828 -16.506 163 HB2 CYS 25 1HB CYS 25 -0.097 -1.378 -15.547 164 HB3 CYS 25 2HB CYS 25 -1.221 -0.122 -15.038 165 H LEU 26 H LEU 26 -1.102 0.136 -19.349 166 HA LEU 26 HA LEU 26 -0.560 -0.988 -21.251 167 HB2 LEU 26 1HB LEU 26 2.210 -0.916 -20.065 168 HB3 LEU 26 2HB LEU 26 1.814 -1.225 -21.754 169 HG LEU 26 HG LEU 26 1.601 1.361 -20.234 170 HD11 LEU 26 1HD1 LEU 26 2.798 1.741 -22.701 171 HD12 LEU 26 2HD1 LEU 26 3.438 0.196 -22.143 172 HD13 LEU 26 3HD1 LEU 26 3.612 1.636 -21.140 173 HD21 LEU 26 3HD2 LEU 26 0.751 2.185 -22.542 174 HD22 LEU 26 1HD2 LEU 26 -0.387 1.448 -21.414 175 HD23 LEU 26 2HD2 LEU 26 0.250 0.508 -22.763 176 H GLU 27 H GLU 27 -1.420 -2.549 -18.991 177 HA GLU 27 HA GLU 27 0.052 -5.059 -19.445 178 HB2 GLU 27 1HB GLU 27 -1.763 -4.352 -17.134 179 HB3 GLU 27 2HB GLU 27 -0.828 -5.830 -17.308 180 HG2 GLU 27 1HG GLU 27 1.179 -4.129 -17.470 181 HG3 GLU 27 2HG GLU 27 0.061 -3.094 -16.584 182 H LEU 28 H LEU 28 -1.339 -7.049 -19.289 183 HA LEU 28 HA LEU 28 -3.346 -6.967 -21.259 184 HB2 LEU 28 1HB LEU 28 -2.330 -9.021 -21.100 185 HB3 LEU 28 2HB LEU 28 -2.344 -9.010 -19.338 186 HG LEU 28 HG LEU 28 -4.656 -9.626 -19.286 187 HD11 LEU 28 1HD1 LEU 28 -4.798 -8.374 -21.760 188 HD12 LEU 28 2HD1 LEU 28 -6.101 -9.218 -20.923 189 HD13 LEU 28 3HD1 LEU 28 -5.110 -10.076 -22.103 190 HD21 LEU 28 3HD2 LEU 28 -4.584 -11.797 -20.458 191 HD22 LEU 28 1HD2 LEU 28 -3.111 -11.463 -19.548 192 HD23 LEU 28 2HD2 LEU 28 -3.127 -11.269 -21.301 193 H LEU 29 H LEU 29 -5.218 -5.937 -20.989 194 HA LEU 29 HA LEU 29 -6.467 -5.575 -18.454 195 HB2 LEU 29 1HB LEU 29 -7.117 -4.923 -21.278 196 HB3 LEU 29 2HB LEU 29 -8.437 -4.929 -20.111 197 HG LEU 29 HG LEU 29 -5.954 -3.218 -19.986 198 HD11 LEU 29 1HD1 LEU 29 -7.510 -2.506 -21.714 199 HD12 LEU 29 2HD1 LEU 29 -7.511 -1.369 -20.366 200 HD13 LEU 29 3HD1 LEU 29 -8.834 -2.521 -20.548 201 HD21 LEU 29 3HD2 LEU 29 -6.407 -3.340 -17.773 202 HD22 LEU 29 1HD2 LEU 29 -8.080 -3.837 -18.030 203 HD23 LEU 29 2HD2 LEU 29 -7.630 -2.139 -18.193 204 H THR 30 H THR 30 -7.225 -7.316 -17.414 205 HA THR 30 HA THR 30 -8.698 -9.359 -18.910 206 HB THR 30 HB THR 30 -6.971 -10.225 -17.445 207 HG1 THR 30 1HG THR 30 -8.700 -11.262 -15.854 208 HG21 THR 30 3HG2 THR 30 -7.071 -9.926 -15.020 209 HG22 THR 30 1HG2 THR 30 -8.466 -8.864 -15.200 210 HG23 THR 30 2HG2 THR 30 -6.896 -8.374 -15.838 211 H GLN 31 H GLN 31 -9.052 -7.203 -16.117 212 HA GLN 31 HA GLN 31 -11.968 -7.579 -16.309 213 HB2 GLN 31 1HB GLN 31 -10.232 -7.222 -13.872 214 HB3 GLN 31 2HB GLN 31 -11.969 -6.950 -13.837 215 HG2 GLN 31 1HG GLN 31 -10.614 -9.532 -14.582 216 HG3 GLN 31 2HG GLN 31 -11.373 -9.174 -13.031 217 HE21 GLN 31 1HE2 GLN 31 -13.699 -8.483 -13.195 218 HE22 GLN 31 2HE2 GLN 31 -14.693 -9.349 -14.311 219 HA PRO 32 HA PRO 32 -10.601 -3.077 -16.859 220 HB2 PRO 32 1HB PRO 32 -11.380 -2.801 -19.445 221 HB3 PRO 32 2HB PRO 32 -9.760 -3.333 -18.982 222 HG2 PRO 32 1HG PRO 32 -12.111 -4.965 -19.858 223 HG3 PRO 32 2HG PRO 32 -10.407 -5.121 -20.321 224 HD2 PRO 32 1HD PRO 32 -11.566 -6.721 -18.469 225 HD3 PRO 32 2HD PRO 32 -9.855 -6.251 -18.390 226 H LEU 33 H LEU 33 -12.048 -1.258 -17.384 227 HA LEU 33 HA LEU 33 -14.855 -1.985 -16.889 228 HB2 LEU 33 1HB LEU 33 -13.547 0.687 -16.426 229 HB3 LEU 33 2HB LEU 33 -15.140 0.165 -15.881 230 HG LEU 33 HG LEU 33 -12.462 -0.762 -14.855 231 HD11 LEU 33 1HD1 LEU 33 -14.581 1.076 -13.900 232 HD12 LEU 33 2HD1 LEU 33 -12.831 1.159 -13.702 233 HD13 LEU 33 3HD1 LEU 33 -13.780 0.058 -12.703 234 HD21 LEU 33 3HD2 LEU 33 -15.210 -1.719 -14.060 235 HD22 LEU 33 1HD2 LEU 33 -13.675 -2.213 -13.344 236 HD23 LEU 33 2HD2 LEU 33 -14.047 -2.641 -15.014 237 H SER 34 H SER 34 -16.324 -0.002 -17.647 238 HA SER 34 HA SER 34 -15.584 0.607 -20.433 239 HB2 SER 34 1HB SER 34 -17.289 -1.134 -20.426 240 HB3 SER 34 2HB SER 34 -18.312 -0.162 -19.368 241 HG SER 34 HG SER 34 -18.067 1.455 -21.201 242 H LEU 35 H LEU 35 -16.051 2.631 -21.195 243 HA LEU 35 HA LEU 35 -17.277 4.513 -19.289 244 HB2 LEU 35 1HB LEU 35 -15.057 5.203 -21.197 245 HB3 LEU 35 2HB LEU 35 -15.713 6.199 -19.899 246 HG LEU 35 HG LEU 35 -14.160 3.646 -19.480 247 HD11 LEU 35 1HD1 LEU 35 -13.269 6.300 -20.124 248 HD12 LEU 35 2HD1 LEU 35 -12.328 4.828 -19.884 249 HD13 LEU 35 3HD1 LEU 35 -12.737 5.847 -18.504 250 HD21 LEU 35 3HD2 LEU 35 -13.965 4.773 -17.156 251 HD22 LEU 35 1HD2 LEU 35 -15.450 3.919 -17.577 252 HD23 LEU 35 2HD2 LEU 35 -15.391 5.680 -17.663 253 H ASP 36 H ASP 36 -17.964 6.590 -20.421 254 HA ASP 36 HA ASP 36 -19.542 5.837 -22.749 255 HB2 ASP 36 1HB ASP 36 -19.625 8.506 -21.357 256 HB3 ASP 36 2HB ASP 36 -20.891 7.720 -22.297 257 H CYS 37 H CYS 37 -16.767 6.066 -23.205 258 HA CYS 37 HA CYS 37 -16.755 8.319 -25.091 259 HB2 CYS 37 1HB CYS 37 -14.512 8.907 -24.553 260 HB3 CYS 37 2HB CYS 37 -15.373 8.790 -23.022 261 H GLY 38 H GLY 38 -15.680 5.099 -24.241 262 HA2 GLY 38 1HA GLY 38 -15.655 3.432 -26.014 263 HA3 GLY 38 2HA GLY 38 -15.001 4.665 -27.081 264 H HIS 39 H HIS 39 -13.998 3.918 -23.773 265 HA HIS 39 HA HIS 39 -11.575 2.626 -24.715 266 HB2 HIS 39 1HB HIS 39 -11.538 5.244 -23.207 267 HB3 HIS 39 2HB HIS 39 -10.135 4.192 -23.372 268 HD2 HIS 39 2HD HIS 39 -10.029 3.597 -26.485 269 HE1 HIS 39 1HE HIS 39 -10.493 7.776 -27.049 270 HE2 HIS 39 2HE HIS 39 -9.880 5.587 -28.132 271 H SER 40 H SER 40 -10.941 1.075 -23.348 272 HA SER 40 HA SER 40 -12.357 0.835 -20.807 273 HB2 SER 40 1HB SER 40 -10.459 -1.256 -21.786 274 HB3 SER 40 2HB SER 40 -11.986 -1.442 -20.923 275 HG SER 40 HG SER 40 -11.872 -1.973 -23.290 276 H PHE 41 H PHE 41 -11.144 0.065 -18.896 277 HA PHE 41 HA PHE 41 -8.319 0.535 -18.759 278 HB2 PHE 41 1HB PHE 41 -10.153 2.446 -17.297 279 HB3 PHE 41 2HB PHE 41 -8.398 2.395 -17.168 280 HD1 PHE 41 2HD PHE 41 -11.196 3.077 -19.486 281 HD2 PHE 41 1HD PHE 41 -7.034 3.520 -18.711 282 HE1 PHE 41 2HE PHE 41 -11.018 4.655 -21.365 283 HE2 PHE 41 1HE PHE 41 -6.849 5.100 -20.589 284 HZ PHE 41 HZ PHE 41 -8.842 5.669 -21.919 285 H CYS 42 H CYS 42 -7.655 0.548 -16.304 286 HA CYS 42 HA CYS 42 -8.855 -1.830 -15.171 287 HB2 CYS 42 1HB CYS 42 -6.495 -0.153 -14.297 288 HB3 CYS 42 2HB CYS 42 -7.008 -1.637 -13.500 289 H GLN 43 H GLN 43 -10.012 -1.972 -13.306 290 HA GLN 43 HA GLN 43 -11.595 0.135 -12.472 291 HB2 GLN 43 1HB GLN 43 -12.218 -2.132 -11.970 292 HB3 GLN 43 2HB GLN 43 -10.774 -2.367 -10.995 293 HG2 GLN 43 1HG GLN 43 -11.613 -1.208 -9.215 294 HG3 GLN 43 2HG GLN 43 -12.668 -0.215 -10.218 295 HE21 GLN 43 1HE2 GLN 43 -12.379 -3.719 -10.257 296 HE22 GLN 43 2HE2 GLN 43 -13.991 -4.043 -9.726 297 H ALA 44 H ALA 44 -8.319 -0.425 -11.794 298 HA ALA 44 HA ALA 44 -8.381 1.319 -9.429 299 HB1 ALA 44 3HB ALA 44 -5.861 0.015 -10.289 300 HB2 ALA 44 1HB ALA 44 -6.492 0.309 -8.668 301 HB3 ALA 44 2HB ALA 44 -7.134 -1.017 -9.639 302 H CYS 45 H CYS 45 -6.541 0.849 -12.447 303 HA CYS 45 HA CYS 45 -4.980 3.113 -12.393 304 HB2 CYS 45 1HB CYS 45 -6.286 1.769 -14.764 305 HB3 CYS 45 2HB CYS 45 -5.033 2.998 -14.899 306 H LEU 46 H LEU 46 -8.365 2.808 -13.290 307 HA LEU 46 HA LEU 46 -8.694 5.386 -14.387 308 HB2 LEU 46 1HB LEU 46 -10.454 3.230 -13.406 309 HB3 LEU 46 2HB LEU 46 -11.152 4.849 -13.430 310 HG LEU 46 HG LEU 46 -9.825 3.788 -15.887 311 HD11 LEU 46 1HD1 LEU 46 -12.044 2.892 -16.585 312 HD12 LEU 46 2HD1 LEU 46 -12.582 3.064 -14.915 313 HD13 LEU 46 3HD1 LEU 46 -11.257 1.968 -15.306 314 HD21 LEU 46 3HD2 LEU 46 -11.977 5.774 -15.230 315 HD22 LEU 46 1HD2 LEU 46 -11.767 5.141 -16.863 316 HD23 LEU 46 2HD2 LEU 46 -10.456 6.030 -16.088 317 H THR 47 H THR 47 -9.333 4.125 -11.123 318 HA THR 47 HA THR 47 -10.304 6.446 -9.955 319 HB THR 47 HB THR 47 -8.669 4.223 -8.728 320 HG1 THR 47 1HG THR 47 -10.715 3.581 -9.463 321 HG21 THR 47 3HG2 THR 47 -8.496 6.304 -7.396 322 HG22 THR 47 1HG2 THR 47 -9.378 5.029 -6.556 323 HG23 THR 47 2HG2 THR 47 -10.256 6.363 -7.305 324 H ALA 48 H ALA 48 -6.939 5.314 -10.163 325 HA ALA 48 HA ALA 48 -5.791 7.492 -8.794 326 HB1 ALA 48 3HB ALA 48 -4.878 5.142 -10.102 327 HB2 ALA 48 1HB ALA 48 -3.937 6.509 -10.701 328 HB3 ALA 48 2HB ALA 48 -4.012 6.181 -8.969 329 H ASN 49 H ASN 49 -6.204 6.872 -12.273 330 HA ASN 49 HA ASN 49 -4.945 9.069 -13.328 331 HB2 ASN 49 1HB ASN 49 -6.194 7.122 -14.505 332 HB3 ASN 49 2HB ASN 49 -7.601 8.178 -14.419 333 HD21 ASN 49 1HD2 ASN 49 -7.038 10.512 -15.141 334 HD22 ASN 49 2HD2 ASN 49 -6.175 10.621 -16.634 335 H HIS 50 H HIS 50 -8.136 8.894 -11.854 336 HA HIS 50 HA HIS 50 -8.957 11.518 -12.563 337 HB2 HIS 50 1HB HIS 50 -9.878 9.552 -10.476 338 HB3 HIS 50 2HB HIS 50 -10.584 11.161 -10.604 339 HD2 HIS 50 2HD HIS 50 -12.726 11.220 -12.245 340 HE1 HIS 50 1HE HIS 50 -11.812 7.782 -14.558 341 HE2 HIS 50 2HE HIS 50 -13.438 9.670 -14.190 342 H LYS 51 H LYS 51 -6.946 10.231 -10.059 343 HA LYS 51 HA LYS 51 -7.129 12.472 -8.293 344 HB2 LYS 51 1HB LYS 51 -4.848 10.507 -8.415 345 HB3 LYS 51 2HB LYS 51 -5.416 11.424 -7.027 346 HG2 LYS 51 1HG LYS 51 -7.277 9.499 -8.322 347 HG3 LYS 51 2HG LYS 51 -5.978 8.878 -7.301 348 HD2 LYS 51 1HD LYS 51 -7.835 11.054 -6.376 349 HD3 LYS 51 2HD LYS 51 -8.227 9.344 -6.184 350 HE2 LYS 51 1HE LYS 51 -6.243 8.995 -4.858 351 HE3 LYS 51 2HE LYS 51 -5.715 10.652 -5.148 352 HZ1 LYS 51 3HZ LYS 51 -8.290 10.057 -3.823 353 HZ2 LYS 51 1HZ LYS 51 -7.405 11.499 -3.807 354 HZ3 LYS 51 2HZ LYS 51 -6.846 10.154 -2.947 355 H LYS 52 H LYS 52 -4.607 11.344 -10.544 356 HA LYS 52 HA LYS 52 -2.794 13.400 -10.240 357 HB2 LYS 52 1HB LYS 52 -1.753 12.577 -12.102 358 HB3 LYS 52 2HB LYS 52 -2.818 11.221 -11.758 359 HG2 LYS 52 1HG LYS 52 -3.183 11.480 -13.994 360 HG3 LYS 52 2HG LYS 52 -4.459 12.513 -13.345 361 HD2 LYS 52 1HD LYS 52 -3.411 13.746 -15.078 362 HD3 LYS 52 2HD LYS 52 -2.841 14.439 -13.558 363 HE2 LYS 52 1HE LYS 52 -0.861 14.257 -14.692 364 HE3 LYS 52 2HE LYS 52 -0.898 12.695 -13.874 365 HZ1 LYS 52 3HZ LYS 52 -0.335 12.279 -16.110 366 HZ2 LYS 52 1HZ LYS 52 -1.567 13.276 -16.701 367 HZ3 LYS 52 2HZ LYS 52 -1.952 11.809 -15.954 368 H SER 53 H SER 53 -5.752 13.326 -12.139 369 HA SER 53 HA SER 53 -5.249 15.917 -13.320 370 HB2 SER 53 1HB SER 53 -7.808 14.302 -13.357 371 HB3 SER 53 2HB SER 53 -7.374 15.628 -14.435 372 HG SER 53 HG SER 53 -6.993 13.174 -14.958 373 H MET 54 H MET 54 -5.552 15.469 -10.333 374 HA MET 54 HA MET 54 -7.863 17.194 -9.802 375 HB2 MET 54 1HB MET 54 -7.333 14.972 -8.539 376 HB3 MET 54 2HB MET 54 -6.166 15.954 -7.664 377 HG2 MET 54 1HG MET 54 -8.318 15.750 -6.498 378 HG3 MET 54 2HG MET 54 -7.900 17.418 -6.883 379 HE1 MET 54 3HE MET 54 -10.978 14.643 -8.514 380 HE2 MET 54 1HE MET 54 -9.949 15.050 -9.887 381 HE3 MET 54 2HE MET 54 -9.239 14.360 -8.428 382 H LEU 55 H LEU 55 -4.370 17.022 -9.462 383 HA LEU 55 HA LEU 55 -4.231 19.575 -8.101 384 HB2 LEU 55 1HB LEU 55 -1.730 19.195 -8.430 385 HB3 LEU 55 2HB LEU 55 -2.598 18.088 -7.368 386 HG LEU 55 HG LEU 55 -2.216 17.304 -10.215 387 HD11 LEU 55 1HD1 LEU 55 -0.055 16.845 -8.183 388 HD12 LEU 55 2HD1 LEU 55 -0.022 18.216 -9.291 389 HD13 LEU 55 3HD1 LEU 55 -0.011 16.570 -9.925 390 HD21 LEU 55 3HD2 LEU 55 -3.395 16.098 -8.124 391 HD22 LEU 55 1HD2 LEU 55 -1.754 15.479 -7.943 392 HD23 LEU 55 2HD2 LEU 55 -2.632 15.220 -9.450 393 H ASP 56 H ASP 56 -3.539 18.251 -11.298 394 HA ASP 56 HA ASP 56 -2.280 20.439 -12.455 395 HB2 ASP 56 1HB ASP 56 -2.516 18.207 -13.519 396 HB3 ASP 56 2HB ASP 56 -4.219 18.552 -13.808 397 H LYS 57 H LYS 57 -5.746 19.627 -12.710 398 HA LYS 57 HA LYS 57 -6.312 22.511 -12.875 399 HB2 LYS 57 1HB LYS 57 -7.658 20.331 -14.482 400 HB3 LYS 57 2HB LYS 57 -8.091 22.035 -14.504 401 HG2 LYS 57 1HG LYS 57 -6.171 22.642 -15.655 402 HG3 LYS 57 2HG LYS 57 -5.318 21.162 -15.207 403 HD2 LYS 57 1HD LYS 57 -7.792 21.004 -16.879 404 HD3 LYS 57 2HD LYS 57 -6.255 21.450 -17.626 405 HE2 LYS 57 1HE LYS 57 -6.389 19.047 -15.860 406 HE3 LYS 57 2HE LYS 57 -7.006 18.943 -17.508 407 HZ1 LYS 57 3HZ LYS 57 -4.546 18.376 -17.028 408 HZ2 LYS 57 1HZ LYS 57 -4.325 20.053 -17.021 409 HZ3 LYS 57 2HZ LYS 57 -4.930 19.286 -18.401 410 H GLY 58 H GLY 58 -7.602 19.286 -12.156 411 HA2 GLY 58 1HA GLY 58 -8.647 19.021 -9.944 412 HA3 GLY 58 2HA GLY 58 -9.426 20.572 -10.218 413 H GLU 59 H GLU 59 -9.187 18.423 -12.897 414 HA GLU 59 HA GLU 59 -11.856 17.335 -12.443 415 HB2 GLU 59 1HB GLU 59 -11.103 19.193 -14.680 416 HB3 GLU 59 2HB GLU 59 -12.382 18.005 -14.891 417 HG2 GLU 59 1HG GLU 59 -13.572 18.965 -12.972 418 HG3 GLU 59 2HG GLU 59 -12.303 20.179 -12.811 419 H SER 60 H SER 60 -11.975 15.278 -13.067 420 HA SER 60 HA SER 60 -9.717 13.985 -14.231 421 HB2 SER 60 1HB SER 60 -11.072 11.944 -14.089 422 HB3 SER 60 2HB SER 60 -11.169 12.861 -12.587 423 HG SER 60 HG SER 60 -13.137 12.196 -14.343 424 H SER 61 H SER 61 -9.943 12.500 -16.134 425 HA SER 61 HA SER 61 -11.886 12.901 -18.125 426 HB2 SER 61 1HB SER 61 -10.622 14.229 -19.750 427 HB3 SER 61 2HB SER 61 -10.875 15.150 -18.268 428 HG SER 61 HG SER 61 -8.750 14.650 -17.660 429 H CYS 62 H CYS 62 -11.487 11.669 -20.020 430 HA CYS 62 HA CYS 62 -10.081 9.297 -19.623 431 HB2 CYS 62 1HB CYS 62 -11.949 9.606 -21.241 432 HB3 CYS 62 2HB CYS 62 -10.857 10.515 -22.281 433 HA PRO 63 HA PRO 63 -5.928 10.723 -20.365 434 HB2 PRO 63 1HB PRO 63 -4.747 8.294 -20.085 435 HB3 PRO 63 2HB PRO 63 -5.297 9.259 -18.710 436 HG2 PRO 63 1HG PRO 63 -6.639 6.949 -20.061 437 HG3 PRO 63 2HG PRO 63 -6.484 7.296 -18.329 438 HD2 PRO 63 1HD PRO 63 -8.747 7.817 -19.722 439 HD3 PRO 63 2HD PRO 63 -8.220 8.812 -18.349 440 H VAL 64 H VAL 64 -7.912 9.087 -22.396 441 HA VAL 64 HA VAL 64 -5.790 8.600 -24.382 442 HB VAL 64 HB VAL 64 -8.580 7.443 -24.350 443 HG11 VAL 64 1HG1 VAL 64 -7.098 7.815 -26.531 444 HG12 VAL 64 2HG1 VAL 64 -6.388 6.296 -25.981 445 HG13 VAL 64 3HG1 VAL 64 -8.118 6.394 -26.312 446 HG21 VAL 64 3HG2 VAL 64 -5.986 6.027 -23.762 447 HG22 VAL 64 1HG2 VAL 64 -7.078 6.632 -22.517 448 HG23 VAL 64 2HG2 VAL 64 -7.621 5.378 -23.632 449 H CYS 65 H CYS 65 -9.126 9.784 -24.032 450 HA CYS 65 HA CYS 65 -8.674 11.477 -26.402 451 HB2 CYS 65 1HB CYS 65 -11.088 11.366 -26.829 452 HB3 CYS 65 2HB CYS 65 -10.370 9.759 -26.830 453 H ARG 66 H ARG 66 -9.263 11.402 -23.083 454 HA ARG 66 HA ARG 66 -9.777 12.977 -21.521 455 HB2 ARG 66 1HB ARG 66 -8.457 14.484 -23.718 456 HB3 ARG 66 2HB ARG 66 -9.274 15.425 -22.478 457 HG2 ARG 66 1HG ARG 66 -7.150 15.302 -21.630 458 HG3 ARG 66 2HG ARG 66 -7.915 13.922 -20.839 459 HD2 ARG 66 1HD ARG 66 -5.946 12.994 -21.599 460 HD3 ARG 66 2HD ARG 66 -7.056 12.605 -22.913 461 HE ARG 66 HE ARG 66 -5.999 14.958 -23.699 462 HH11 ARG 66 1HH1 ARG 66 -4.587 11.974 -22.595 463 HH12 ARG 66 2HH1 ARG 66 -3.142 12.159 -23.534 464 HH21 ARG 66 1HH2 ARG 66 -4.101 15.213 -24.939 465 HH22 ARG 66 2HH2 ARG 66 -2.866 14.002 -24.866 466 H ILE 67 H ILE 67 -12.013 12.075 -22.663 467 HA ILE 67 HA ILE 67 -13.624 14.164 -23.790 468 HB ILE 67 HB ILE 67 -13.992 11.754 -24.287 469 HG12 ILE 67 1HG1 ILE 67 -16.480 12.838 -23.000 470 HG13 ILE 67 2HG1 ILE 67 -15.766 13.659 -24.384 471 HG21 ILE 67 1HG2 ILE 67 -14.093 11.589 -21.442 472 HG22 ILE 67 2HG2 ILE 67 -15.628 11.029 -22.103 473 HG23 ILE 67 3HG2 ILE 67 -14.118 10.285 -22.629 474 HD11 ILE 67 3HD1 ILE 67 -16.766 10.824 -24.292 475 HD12 ILE 67 1HD1 ILE 67 -17.510 12.188 -25.125 476 HD13 ILE 67 2HD1 ILE 67 -15.953 11.564 -25.671 477 H SER 68 H SER 68 -15.770 14.722 -22.779 478 HA SER 68 HA SER 68 -15.312 15.441 -19.975 479 HB2 SER 68 1HB SER 68 -16.985 16.597 -22.178 480 HB3 SER 68 2HB SER 68 -17.414 16.923 -20.499 481 HG SER 68 HG SER 68 -14.756 17.258 -20.959 482 H TYR 69 H TYR 69 -16.021 13.839 -18.688 483 HA TYR 69 HA TYR 69 -18.858 13.275 -18.663 484 HB2 TYR 69 1HB TYR 69 -18.626 10.855 -18.775 485 HB3 TYR 69 2HB TYR 69 -17.975 11.585 -20.238 486 HD1 TYR 69 2HD TYR 69 -15.337 12.202 -19.948 487 HD2 TYR 69 1HD TYR 69 -17.419 9.099 -17.914 488 HE1 TYR 69 2HE TYR 69 -13.212 11.014 -19.600 489 HE2 TYR 69 1HE TYR 69 -15.299 7.902 -17.558 490 HH TYR 69 HH TYR 69 -13.012 7.828 -18.709 491 H GLN 70 H GLN 70 -19.572 12.311 -16.701 492 HA GLN 70 HA GLN 70 -17.767 12.848 -14.477 493 HB2 GLN 70 1HB GLN 70 -20.201 13.666 -14.636 494 HB3 GLN 70 2HB GLN 70 -20.648 12.011 -14.247 495 HG2 GLN 70 1HG GLN 70 -20.677 13.090 -12.197 496 HG3 GLN 70 2HG GLN 70 -19.115 12.275 -12.216 497 HE21 GLN 70 1HE2 GLN 70 -19.695 14.424 -10.548 498 HE22 GLN 70 2HE2 GLN 70 -18.718 15.770 -11.016 499 HA PRO 71 HA PRO 71 -16.821 8.561 -13.940 500 HB2 PRO 71 1HB PRO 71 -15.700 8.763 -11.476 501 HB3 PRO 71 2HB PRO 71 -14.877 9.282 -12.951 502 HG2 PRO 71 1HG PRO 71 -16.358 10.921 -10.930 503 HG3 PRO 71 2HG PRO 71 -14.814 11.262 -11.732 504 HD2 PRO 71 1HD PRO 71 -17.145 12.392 -12.520 505 HD3 PRO 71 2HD PRO 71 -15.835 12.014 -13.657 506 H GLU 72 H GLU 72 -18.951 10.399 -11.965 507 HA GLU 72 HA GLU 72 -19.661 8.330 -10.129 508 HB2 GLU 72 1HB GLU 72 -19.982 10.858 -9.845 509 HB3 GLU 72 2HB GLU 72 -21.398 10.676 -10.871 510 HG2 GLU 72 1HG GLU 72 -21.075 8.971 -8.441 511 HG3 GLU 72 2HG GLU 72 -21.661 10.628 -8.300 512 H ASN 73 H ASN 73 -20.772 9.336 -13.287 513 HA ASN 73 HA ASN 73 -23.008 7.454 -13.181 514 HB2 ASN 73 1HB ASN 73 -22.235 9.669 -15.063 515 HB3 ASN 73 2HB ASN 73 -23.421 8.455 -15.537 516 HD21 ASN 73 1HD2 ASN 73 -23.691 11.343 -15.069 517 HD22 ASN 73 2HD2 ASN 73 -24.936 11.507 -13.883 518 H ILE 74 H ILE 74 -20.725 6.074 -13.054 519 HA ILE 74 HA ILE 74 -20.639 4.754 -15.661 520 HB ILE 74 HB ILE 74 -18.146 5.518 -14.136 521 HG12 ILE 74 1HG1 ILE 74 -19.161 6.456 -16.828 522 HG13 ILE 74 2HG1 ILE 74 -19.173 7.408 -15.348 523 HG21 ILE 74 1HG2 ILE 74 -16.964 4.541 -16.074 524 HG22 ILE 74 2HG2 ILE 74 -17.900 3.353 -15.170 525 HG23 ILE 74 3HG2 ILE 74 -18.512 3.978 -16.702 526 HD11 ILE 74 3HD1 ILE 74 -17.188 8.178 -15.940 527 HD12 ILE 74 1HD1 ILE 74 -16.539 6.566 -15.638 528 HD13 ILE 74 2HD1 ILE 74 -17.065 7.016 -17.260 529 H ARG 75 H ARG 75 -20.267 2.556 -15.577 530 HA ARG 75 HA ARG 75 -19.451 1.258 -13.144 531 HB2 ARG 75 1HB ARG 75 -21.529 -0.047 -12.863 532 HB3 ARG 75 2HB ARG 75 -21.775 1.671 -12.583 533 HG2 ARG 75 1HG ARG 75 -22.295 0.607 -15.306 534 HG3 ARG 75 2HG ARG 75 -23.454 0.246 -14.025 535 HD2 ARG 75 1HD ARG 75 -23.878 2.540 -13.634 536 HD3 ARG 75 2HD ARG 75 -22.486 3.034 -14.597 537 HE ARG 75 HE ARG 75 -24.219 1.616 -16.259 538 HH11 ARG 75 1HH1 ARG 75 -24.148 4.597 -14.462 539 HH12 ARG 75 2HH1 ARG 75 -25.218 5.426 -15.543 540 HH21 ARG 75 1HH2 ARG 75 -25.630 2.696 -17.689 541 HH22 ARG 75 2HH2 ARG 75 -26.061 4.344 -17.378 542 HA PRO 76 HA PRO 76 -18.137 -1.810 -15.996 543 HB2 PRO 76 1HB PRO 76 -18.134 -4.015 -14.412 544 HB3 PRO 76 2HB PRO 76 -16.934 -2.725 -14.266 545 HG2 PRO 76 1HG PRO 76 -19.399 -3.213 -12.637 546 HG3 PRO 76 2HG PRO 76 -17.776 -2.743 -12.098 547 HD2 PRO 76 1HD PRO 76 -19.801 -0.962 -12.348 548 HD3 PRO 76 2HD PRO 76 -18.104 -0.525 -12.632 549 H ASN 77 H ASN 77 -18.716 -4.126 -16.723 550 HA ASN 77 HA ASN 77 -21.482 -4.118 -17.477 551 HB2 ASN 77 1HB ASN 77 -20.738 -6.416 -18.495 552 HB3 ASN 77 2HB ASN 77 -20.145 -4.913 -19.196 553 HD21 ASN 77 1HD2 ASN 77 -19.341 -7.529 -16.990 554 HD22 ASN 77 2HD2 ASN 77 -17.628 -7.404 -17.175 555 H ARG 78 H ARG 78 -19.427 -6.308 -15.568 556 HA ARG 78 HA ARG 78 -21.563 -6.931 -13.780 557 HB2 ARG 78 1HB ARG 78 -22.050 -8.337 -15.849 558 HB3 ARG 78 2HB ARG 78 -20.588 -9.234 -15.462 559 HG2 ARG 78 1HG ARG 78 -21.744 -9.461 -13.111 560 HG3 ARG 78 2HG ARG 78 -23.205 -9.171 -14.058 561 HD2 ARG 78 1HD ARG 78 -21.164 -11.340 -14.534 562 HD3 ARG 78 2HD ARG 78 -22.774 -11.555 -13.850 563 HE ARG 78 HE ARG 78 -23.161 -10.360 -16.297 564 HH11 ARG 78 1HH1 ARG 78 -21.701 -13.296 -15.126 565 HH12 ARG 78 2HH1 ARG 78 -22.053 -14.198 -16.563 566 HH21 ARG 78 1HH2 ARG 78 -23.631 -11.537 -18.193 567 HH22 ARG 78 2HH2 ARG 78 -23.150 -13.196 -18.307 568 H HIS 79 H HIS 79 -20.500 -6.916 -11.919 569 HA HIS 79 HA HIS 79 -17.860 -8.220 -11.795 570 HB2 HIS 79 1HB HIS 79 -17.589 -5.877 -11.379 571 HB3 HIS 79 2HB HIS 79 -18.946 -5.858 -10.257 572 HD2 HIS 79 2HD HIS 79 -17.956 -5.609 -7.766 573 HE1 HIS 79 1HE HIS 79 -14.506 -8.035 -8.226 574 HE2 HIS 79 2HE HIS 79 -15.905 -6.690 -6.620 575 H VAL 80 H VAL 80 -18.915 -10.246 -11.373 576 HA VAL 80 HA VAL 80 -19.874 -10.464 -8.593 577 HB VAL 80 HB VAL 80 -21.287 -12.358 -9.286 578 HG11 VAL 80 1HG1 VAL 80 -22.655 -10.714 -11.018 579 HG12 VAL 80 2HG1 VAL 80 -22.773 -10.690 -9.258 580 HG13 VAL 80 3HG1 VAL 80 -21.675 -9.585 -10.084 581 HG21 VAL 80 3HG2 VAL 80 -21.113 -13.329 -11.280 582 HG22 VAL 80 1HG2 VAL 80 -21.370 -11.794 -12.108 583 HG23 VAL 80 2HG2 VAL 80 -19.744 -12.269 -11.617 584 H ALA 81 H ALA 81 -19.791 -12.923 -7.939 585 HA ALA 81 HA ALA 81 -17.136 -13.942 -8.719 586 HB1 ALA 81 3HB ALA 81 -16.701 -13.453 -6.552 587 HB2 ALA 81 1HB ALA 81 -18.394 -13.568 -6.070 588 HB3 ALA 81 2HB ALA 81 -17.439 -15.034 -6.296 589 H ASN 82 H ASN 82 -20.362 -14.873 -7.564 590 HA ASN 82 HA ASN 82 -20.221 -17.596 -7.645 591 HB2 ASN 82 1HB ASN 82 -22.487 -15.809 -8.543 592 HB3 ASN 82 2HB ASN 82 -22.647 -17.549 -8.321 593 HD21 ASN 82 1HD2 ASN 82 -23.470 -14.835 -6.933 594 HD22 ASN 82 2HD2 ASN 82 -23.328 -15.241 -5.259 595 H ILE 83 H ILE 83 -20.872 -19.176 -9.248 596 HA ILE 83 HA ILE 83 -20.002 -18.393 -11.947 597 HB ILE 83 HB ILE 83 -20.102 -21.169 -10.762 598 HG12 ILE 83 1HG1 ILE 83 -17.640 -19.513 -11.308 599 HG13 ILE 83 2HG1 ILE 83 -18.430 -19.538 -9.736 600 HG21 ILE 83 1HG2 ILE 83 -19.215 -21.971 -12.718 601 HG22 ILE 83 2HG2 ILE 83 -20.241 -20.677 -13.335 602 HG23 ILE 83 3HG2 ILE 83 -18.505 -20.419 -13.161 603 HD11 ILE 83 3HD1 ILE 83 -16.437 -21.079 -10.096 604 HD12 ILE 83 1HD1 ILE 83 -17.887 -21.775 -9.373 605 HD13 ILE 83 2HD1 ILE 83 -17.528 -22.058 -11.076 606 H VAL 84 H VAL 84 -21.761 -17.879 -13.108 607 HA VAL 84 HA VAL 84 -24.203 -19.454 -12.841 608 HB VAL 84 HB VAL 84 -25.242 -17.778 -14.283 609 HG11 VAL 84 1HG1 VAL 84 -25.609 -16.655 -12.406 610 HG12 VAL 84 2HG1 VAL 84 -24.125 -17.307 -11.708 611 HG13 VAL 84 3HG1 VAL 84 -24.083 -15.799 -12.623 612 HG21 VAL 84 3HG2 VAL 84 -23.667 -17.071 -15.816 613 HG22 VAL 84 1HG2 VAL 84 -23.741 -15.691 -14.720 614 HG23 VAL 84 2HG2 VAL 84 -22.418 -16.850 -14.591 615 H GLU 85 H GLU 85 -22.354 -21.078 -13.847 616 HA GLU 85 HA GLU 85 -22.497 -21.018 -16.759 617 HB2 GLU 85 1HB GLU 85 -20.930 -22.618 -14.763 618 HB3 GLU 85 2HB GLU 85 -21.089 -23.186 -16.419 619 HG2 GLU 85 1HG GLU 85 -20.169 -20.400 -15.880 620 HG3 GLU 85 2HG GLU 85 -19.045 -21.750 -15.734 Start of MODEL 10 1 H1 GLY 1 H GLY 1 44.493 -15.838 -7.648 2 HA2 GLY 1 1HA GLY 1 41.829 -16.498 -6.664 3 HA3 GLY 1 2HA GLY 1 42.133 -14.802 -7.008 4 H SER 2 H SER 2 40.148 -15.764 -8.394 5 HA SER 2 HA SER 2 41.165 -15.815 -11.106 6 HB2 SER 2 1HB SER 2 39.840 -18.160 -9.819 7 HB3 SER 2 2HB SER 2 39.453 -17.807 -11.503 8 HG SER 2 HG SER 2 41.362 -18.481 -12.068 9 H SER 3 H SER 3 39.148 -16.018 -12.655 10 HA SER 3 HA SER 3 36.660 -15.035 -11.673 11 HB2 SER 3 1HB SER 3 38.202 -12.998 -11.567 12 HB3 SER 3 2HB SER 3 38.214 -13.048 -13.330 13 HG SER 3 HG SER 3 35.723 -13.164 -12.121 14 H GLY 4 H GLY 4 35.141 -14.524 -13.467 15 HA2 GLY 4 1HA GLY 4 35.598 -14.850 -16.157 16 HA3 GLY 4 2HA GLY 4 35.409 -16.482 -15.536 17 H SER 5 H SER 5 33.798 -13.317 -15.187 18 HA SER 5 HA SER 5 31.221 -14.732 -15.349 19 HB2 SER 5 1HB SER 5 32.126 -12.334 -13.817 20 HB3 SER 5 2HB SER 5 30.446 -12.398 -14.349 21 HG SER 5 HG SER 5 31.343 -13.470 -12.214 22 H SER 6 H SER 6 29.592 -13.937 -16.680 23 HA SER 6 HA SER 6 30.327 -11.765 -18.517 24 HB2 SER 6 1HB SER 6 29.289 -14.499 -19.285 25 HB3 SER 6 2HB SER 6 29.293 -13.118 -20.382 26 HG SER 6 HG SER 6 31.160 -14.382 -20.660 27 H GLY 7 H GLY 7 28.507 -10.769 -19.600 28 HA2 GLY 7 1HA GLY 7 25.902 -11.114 -19.590 29 HA3 GLY 7 2HA GLY 7 26.138 -10.785 -17.880 30 H MET 8 H MET 8 25.529 -9.431 -20.881 31 HA MET 8 HA MET 8 26.770 -6.900 -20.587 32 HB2 MET 8 1HB MET 8 24.523 -7.945 -22.282 33 HB3 MET 8 2HB MET 8 24.904 -6.229 -22.264 34 HG2 MET 8 1HG MET 8 26.001 -7.253 -24.125 35 HG3 MET 8 2HG MET 8 27.213 -6.768 -22.941 36 HE1 MET 8 3HE MET 8 25.931 -8.976 -25.208 37 HE2 MET 8 1HE MET 8 27.163 -10.239 -25.214 38 HE3 MET 8 2HE MET 8 25.615 -10.522 -24.418 39 H ALA 9 H ALA 9 25.214 -4.874 -20.677 40 HA ALA 9 HA ALA 9 23.410 -5.092 -18.355 41 HB1 ALA 9 3HB ALA 9 24.147 -2.403 -18.669 42 HB2 ALA 9 1HB ALA 9 24.644 -3.519 -17.397 43 HB3 ALA 9 2HB ALA 9 25.627 -3.345 -18.851 44 H SER 10 H SER 10 21.413 -5.229 -19.211 45 HA SER 10 HA SER 10 20.254 -2.943 -20.433 46 HB2 SER 10 1HB SER 10 21.052 -5.235 -22.176 47 HB3 SER 10 2HB SER 10 19.524 -4.420 -22.511 48 HG SER 10 HG SER 10 22.051 -3.600 -23.016 49 H GLY 11 H GLY 11 18.352 -2.896 -19.448 50 HA2 GLY 11 1HA GLY 11 17.054 -5.423 -18.720 51 HA3 GLY 11 2HA GLY 11 16.679 -3.841 -18.052 52 H ILE 12 H ILE 12 16.854 -5.069 -21.391 53 HA ILE 12 HA ILE 12 14.339 -3.737 -21.985 54 HB ILE 12 HB ILE 12 14.766 -4.376 -24.315 55 HG12 ILE 12 1HG1 ILE 12 17.438 -5.467 -23.483 56 HG13 ILE 12 2HG1 ILE 12 16.027 -6.517 -23.533 57 HG21 ILE 12 1HG2 ILE 12 16.160 -2.642 -24.618 58 HG22 ILE 12 2HG2 ILE 12 16.048 -2.473 -22.867 59 HG23 ILE 12 3HG2 ILE 12 17.410 -3.334 -23.584 60 HD11 ILE 12 3HD1 ILE 12 16.249 -4.983 -25.957 61 HD12 ILE 12 1HD1 ILE 12 17.731 -5.882 -25.632 62 HD13 ILE 12 2HD1 ILE 12 16.187 -6.731 -25.729 63 H LEU 13 H LEU 13 12.568 -4.823 -23.015 64 HA LEU 13 HA LEU 13 12.470 -7.710 -22.956 65 HB2 LEU 13 1HB LEU 13 10.975 -5.999 -21.009 66 HB3 LEU 13 2HB LEU 13 10.291 -7.529 -21.556 67 HG LEU 13 HG LEU 13 12.652 -8.445 -20.779 68 HD11 LEU 13 1HD1 LEU 13 13.876 -7.135 -19.464 69 HD12 LEU 13 2HD1 LEU 13 12.470 -6.633 -18.527 70 HD13 LEU 13 3HD1 LEU 13 12.878 -5.792 -20.022 71 HD21 LEU 13 3HD2 LEU 13 10.156 -8.729 -19.905 72 HD22 LEU 13 1HD2 LEU 13 10.817 -7.844 -18.530 73 HD23 LEU 13 2HD2 LEU 13 11.543 -9.373 -19.026 74 H VAL 14 H VAL 14 11.034 -8.511 -24.401 75 HA VAL 14 HA VAL 14 9.134 -6.619 -25.623 76 HB VAL 14 HB VAL 14 11.017 -6.956 -27.146 77 HG11 VAL 14 1HG1 VAL 14 11.755 -9.140 -26.369 78 HG12 VAL 14 2HG1 VAL 14 10.286 -9.880 -27.009 79 HG13 VAL 14 3HG1 VAL 14 11.467 -9.166 -28.109 80 HG21 VAL 14 3HG2 VAL 14 8.441 -8.274 -27.987 81 HG22 VAL 14 1HG2 VAL 14 8.887 -6.577 -28.166 82 HG23 VAL 14 2HG2 VAL 14 9.725 -7.814 -29.104 83 H ASN 15 H ASN 15 7.103 -7.349 -25.957 84 HA ASN 15 HA ASN 15 6.518 -10.188 -25.930 85 HB2 ASN 15 1HB ASN 15 4.748 -9.816 -24.123 86 HB3 ASN 15 2HB ASN 15 6.424 -9.879 -23.587 87 HD21 ASN 15 1HD2 ASN 15 3.949 -7.573 -24.632 88 HD22 ASN 15 2HD2 ASN 15 4.407 -6.320 -23.533 89 H VAL 16 H VAL 16 4.104 -10.549 -26.217 90 HA VAL 16 HA VAL 16 3.166 -8.691 -28.255 91 HB VAL 16 HB VAL 16 2.891 -10.799 -29.108 92 HG11 VAL 16 1HG1 VAL 16 1.874 -12.657 -27.556 93 HG12 VAL 16 2HG1 VAL 16 3.592 -12.262 -27.484 94 HG13 VAL 16 3HG1 VAL 16 2.485 -11.616 -26.271 95 HG21 VAL 16 3HG2 VAL 16 0.306 -10.413 -27.601 96 HG22 VAL 16 1HG2 VAL 16 0.724 -9.659 -29.140 97 HG23 VAL 16 2HG2 VAL 16 0.532 -11.409 -29.038 98 H LYS 17 H LYS 17 1.612 -7.243 -27.932 99 HA LYS 17 HA LYS 17 0.426 -6.898 -25.367 100 HB2 LYS 17 1HB LYS 17 -0.913 -5.108 -26.573 101 HB3 LYS 17 2HB LYS 17 0.836 -4.925 -26.607 102 HG2 LYS 17 1HG LYS 17 -0.352 -6.407 -28.861 103 HG3 LYS 17 2HG LYS 17 -0.730 -4.685 -28.770 104 HD2 LYS 17 1HD LYS 17 1.432 -4.051 -29.138 105 HD3 LYS 17 2HD LYS 17 2.100 -5.499 -28.380 106 HE2 LYS 17 1HE LYS 17 0.612 -5.650 -30.979 107 HE3 LYS 17 2HE LYS 17 2.323 -5.226 -30.933 108 HZ1 LYS 17 3HZ LYS 17 1.792 -7.646 -31.258 109 HZ2 LYS 17 1HZ LYS 17 1.251 -7.673 -29.655 110 HZ3 LYS 17 2HZ LYS 17 2.865 -7.300 -29.996 111 H GLU 18 H GLU 18 -1.460 -7.608 -24.586 112 HA GLU 18 HA GLU 18 -2.938 -9.599 -25.925 113 HB2 GLU 18 1HB GLU 18 -3.202 -8.097 -23.377 114 HB3 GLU 18 2HB GLU 18 -4.652 -8.876 -23.994 115 HG2 GLU 18 1HG GLU 18 -2.142 -10.460 -23.846 116 HG3 GLU 18 2HG GLU 18 -3.021 -10.118 -22.357 117 H GLU 19 H GLU 19 -5.073 -9.572 -26.724 118 HA GLU 19 HA GLU 19 -5.807 -7.830 -28.588 119 HB2 GLU 19 1HB GLU 19 -8.249 -8.306 -27.938 120 HB3 GLU 19 2HB GLU 19 -7.220 -9.676 -28.333 121 HG2 GLU 19 1HG GLU 19 -6.923 -10.192 -26.005 122 HG3 GLU 19 2HG GLU 19 -7.805 -8.739 -25.534 123 H VAL 20 H VAL 20 -6.546 -7.384 -25.148 124 HA VAL 20 HA VAL 20 -7.161 -4.559 -25.733 125 HB VAL 20 HB VAL 20 -8.204 -6.090 -23.355 126 HG11 VAL 20 1HG1 VAL 20 -8.325 -3.810 -22.891 127 HG12 VAL 20 2HG1 VAL 20 -8.738 -3.395 -24.556 128 HG13 VAL 20 3HG1 VAL 20 -9.928 -4.187 -23.522 129 HG21 VAL 20 3HG2 VAL 20 -10.403 -5.874 -24.787 130 HG22 VAL 20 1HG2 VAL 20 -9.262 -5.887 -26.131 131 HG23 VAL 20 2HG2 VAL 20 -9.310 -7.241 -25.002 132 H THR 21 H THR 21 -5.706 -3.184 -24.977 133 HA THR 21 HA THR 21 -4.138 -3.952 -22.601 134 HB THR 21 HB THR 21 -3.227 -2.119 -24.826 135 HG1 THR 21 1HG THR 21 -2.638 -4.860 -24.309 136 HG21 THR 21 3HG2 THR 21 -1.866 -1.484 -23.121 137 HG22 THR 21 1HG2 THR 21 -0.983 -2.932 -23.602 138 HG23 THR 21 2HG2 THR 21 -2.093 -2.991 -22.233 139 H CYS 22 H CYS 22 -3.570 -2.293 -21.124 140 HA CYS 22 HA CYS 22 -5.601 -0.245 -20.892 141 HB2 CYS 22 1HB CYS 22 -4.918 -1.538 -18.915 142 HB3 CYS 22 2HB CYS 22 -3.276 -0.921 -19.076 143 HA PRO 23 HA PRO 23 -3.092 2.843 -22.866 144 HB2 PRO 23 1HB PRO 23 -4.735 4.941 -22.348 145 HB3 PRO 23 2HB PRO 23 -5.071 3.745 -23.606 146 HG2 PRO 23 1HG PRO 23 -6.175 3.934 -20.830 147 HG3 PRO 23 2HG PRO 23 -7.017 3.565 -22.346 148 HD2 PRO 23 1HD PRO 23 -6.280 1.645 -20.585 149 HD3 PRO 23 2HD PRO 23 -6.333 1.364 -22.337 150 H ILE 24 H ILE 24 -3.541 2.366 -19.617 151 HA ILE 24 HA ILE 24 -2.100 4.812 -18.853 152 HB ILE 24 HB ILE 24 -3.776 2.885 -17.267 153 HG12 ILE 24 1HG1 ILE 24 -3.922 5.873 -17.151 154 HG13 ILE 24 2HG1 ILE 24 -4.590 5.038 -18.549 155 HG21 ILE 24 1HG2 ILE 24 -1.924 4.997 -16.169 156 HG22 ILE 24 2HG2 ILE 24 -3.107 4.083 -15.235 157 HG23 ILE 24 3HG2 ILE 24 -1.744 3.253 -15.984 158 HD11 ILE 24 3HD1 ILE 24 -5.487 5.011 -15.715 159 HD12 ILE 24 1HD1 ILE 24 -6.425 5.197 -17.196 160 HD13 ILE 24 2HD1 ILE 24 -5.809 3.610 -16.736 161 H CYS 25 H CYS 25 -2.178 1.508 -17.528 162 HA CYS 25 HA CYS 25 0.606 1.626 -16.850 163 HB2 CYS 25 1HB CYS 25 0.251 -0.743 -16.124 164 HB3 CYS 25 2HB CYS 25 -0.865 0.404 -15.391 165 H LEU 26 H LEU 26 -1.225 0.553 -19.559 166 HA LEU 26 HA LEU 26 -0.663 -0.411 -21.540 167 HB2 LEU 26 1HB LEU 26 2.205 0.193 -20.900 168 HB3 LEU 26 2HB LEU 26 1.420 0.130 -22.477 169 HG LEU 26 HG LEU 26 0.900 2.257 -20.402 170 HD11 LEU 26 1HD1 LEU 26 2.437 3.634 -21.413 171 HD12 LEU 26 2HD1 LEU 26 2.424 2.725 -22.923 172 HD13 LEU 26 3HD1 LEU 26 3.256 2.075 -21.511 173 HD21 LEU 26 3HD2 LEU 26 -0.384 1.512 -22.868 174 HD22 LEU 26 1HD2 LEU 26 0.284 3.140 -22.979 175 HD23 LEU 26 2HD2 LEU 26 -0.847 2.738 -21.687 176 H GLU 27 H GLU 27 -0.808 -2.094 -19.236 177 HA GLU 27 HA GLU 27 1.265 -4.104 -19.785 178 HB2 GLU 27 1HB GLU 27 -0.507 -3.590 -17.413 179 HB3 GLU 27 2HB GLU 27 0.271 -5.150 -17.639 180 HG2 GLU 27 1HG GLU 27 1.961 -2.718 -17.796 181 HG3 GLU 27 2HG GLU 27 1.375 -3.225 -16.213 182 H LEU 28 H LEU 28 -2.088 -4.358 -18.627 183 HA LEU 28 HA LEU 28 -3.005 -5.710 -20.968 184 HB2 LEU 28 1HB LEU 28 -1.883 -7.611 -20.241 185 HB3 LEU 28 2HB LEU 28 -2.224 -7.279 -18.544 186 HG LEU 28 HG LEU 28 -4.539 -7.953 -18.854 187 HD11 LEU 28 1HD1 LEU 28 -4.503 -9.218 -21.362 188 HD12 LEU 28 2HD1 LEU 28 -3.907 -7.579 -21.619 189 HD13 LEU 28 3HD1 LEU 28 -5.476 -7.836 -20.858 190 HD21 LEU 28 3HD2 LEU 28 -4.138 -10.200 -18.786 191 HD22 LEU 28 1HD2 LEU 28 -2.493 -9.600 -18.576 192 HD23 LEU 28 2HD2 LEU 28 -3.032 -10.159 -20.160 193 H LEU 29 H LEU 29 -5.233 -5.951 -21.002 194 HA LEU 29 HA LEU 29 -6.656 -4.920 -18.636 195 HB2 LEU 29 1HB LEU 29 -6.939 -4.305 -21.535 196 HB3 LEU 29 2HB LEU 29 -8.383 -4.279 -20.525 197 HG LEU 29 HG LEU 29 -5.965 -2.503 -20.381 198 HD11 LEU 29 1HD1 LEU 29 -8.333 -1.070 -20.108 199 HD12 LEU 29 2HD1 LEU 29 -8.679 -2.286 -21.337 200 HD13 LEU 29 3HD1 LEU 29 -7.318 -1.184 -21.547 201 HD21 LEU 29 3HD2 LEU 29 -7.914 -3.211 -18.241 202 HD22 LEU 29 1HD2 LEU 29 -7.340 -1.548 -18.361 203 HD23 LEU 29 2HD2 LEU 29 -6.188 -2.863 -18.127 204 H THR 30 H THR 30 -7.155 -6.939 -17.801 205 HA THR 30 HA THR 30 -8.438 -8.942 -19.434 206 HB THR 30 HB THR 30 -8.275 -8.958 -16.423 207 HG1 THR 30 1HG THR 30 -6.274 -9.336 -18.348 208 HG21 THR 30 3HG2 THR 30 -8.945 -11.095 -16.556 209 HG22 THR 30 1HG2 THR 30 -7.883 -11.435 -17.921 210 HG23 THR 30 2HG2 THR 30 -9.460 -10.695 -18.194 211 H GLN 31 H GLN 31 -9.470 -7.327 -16.421 212 HA GLN 31 HA GLN 31 -12.228 -7.397 -17.454 213 HB2 GLN 31 1HB GLN 31 -12.961 -7.497 -15.087 214 HB3 GLN 31 2HB GLN 31 -12.013 -8.896 -15.573 215 HG2 GLN 31 1HG GLN 31 -10.211 -8.299 -14.280 216 HG3 GLN 31 2HG GLN 31 -10.650 -6.592 -14.269 217 HE21 GLN 31 1HE2 GLN 31 -10.848 -6.127 -12.179 218 HE22 GLN 31 2HE2 GLN 31 -11.873 -6.957 -11.064 219 HA PRO 32 HA PRO 32 -10.833 -2.976 -16.690 220 HB2 PRO 32 1HB PRO 32 -11.340 -2.079 -19.202 221 HB3 PRO 32 2HB PRO 32 -9.786 -2.774 -18.725 222 HG2 PRO 32 1HG PRO 32 -12.069 -4.057 -20.175 223 HG3 PRO 32 2HG PRO 32 -10.330 -4.176 -20.498 224 HD2 PRO 32 1HD PRO 32 -11.703 -6.107 -19.188 225 HD3 PRO 32 2HD PRO 32 -10.001 -5.743 -18.840 226 H LEU 33 H LEU 33 -12.209 -0.963 -17.444 227 HA LEU 33 HA LEU 33 -15.021 -1.656 -16.942 228 HB2 LEU 33 1HB LEU 33 -13.640 0.990 -16.534 229 HB3 LEU 33 2HB LEU 33 -15.285 0.576 -16.056 230 HG LEU 33 HG LEU 33 -12.712 -0.432 -14.857 231 HD11 LEU 33 1HD1 LEU 33 -13.479 1.792 -14.142 232 HD12 LEU 33 2HD1 LEU 33 -13.543 0.608 -12.837 233 HD13 LEU 33 3HD1 LEU 33 -15.024 1.090 -13.664 234 HD21 LEU 33 3HD2 LEU 33 -15.330 -1.678 -14.964 235 HD22 LEU 33 1HD2 LEU 33 -14.804 -1.365 -13.310 236 HD23 LEU 33 2HD2 LEU 33 -13.792 -2.324 -14.390 237 H SER 34 H SER 34 -16.666 -0.313 -17.975 238 HA SER 34 HA SER 34 -15.830 0.491 -20.682 239 HB2 SER 34 1HB SER 34 -17.400 -1.427 -20.579 240 HB3 SER 34 2HB SER 34 -18.569 -0.401 -19.748 241 HG SER 34 HG SER 34 -17.508 0.099 -22.334 242 H LEU 35 H LEU 35 -16.844 2.327 -21.645 243 HA LEU 35 HA LEU 35 -18.206 4.158 -19.808 244 HB2 LEU 35 1HB LEU 35 -15.878 4.972 -21.540 245 HB3 LEU 35 2HB LEU 35 -16.796 6.011 -20.452 246 HG LEU 35 HG LEU 35 -15.233 3.655 -19.435 247 HD11 LEU 35 1HD1 LEU 35 -14.231 6.205 -20.471 248 HD12 LEU 35 2HD1 LEU 35 -13.386 4.688 -20.170 249 HD13 LEU 35 3HD1 LEU 35 -13.685 5.809 -18.842 250 HD21 LEU 35 3HD2 LEU 35 -15.162 5.502 -17.506 251 HD22 LEU 35 1HD2 LEU 35 -16.476 4.336 -17.668 252 HD23 LEU 35 2HD2 LEU 35 -16.670 5.975 -18.291 253 H ASP 36 H ASP 36 -18.899 6.199 -21.106 254 HA ASP 36 HA ASP 36 -20.324 5.221 -23.449 255 HB2 ASP 36 1HB ASP 36 -21.602 7.324 -23.274 256 HB3 ASP 36 2HB ASP 36 -21.606 6.427 -21.758 257 H CYS 37 H CYS 37 -17.431 5.762 -23.543 258 HA CYS 37 HA CYS 37 -17.457 7.795 -25.675 259 HB2 CYS 37 1HB CYS 37 -15.246 8.505 -25.044 260 HB3 CYS 37 2HB CYS 37 -16.266 8.557 -23.610 261 H GLY 38 H GLY 38 -16.034 4.802 -24.458 262 HA2 GLY 38 1HA GLY 38 -15.814 2.970 -26.070 263 HA3 GLY 38 2HA GLY 38 -15.258 4.162 -27.236 264 H HIS 39 H HIS 39 -14.314 3.760 -23.844 265 HA HIS 39 HA HIS 39 -11.703 2.752 -24.642 266 HB2 HIS 39 1HB HIS 39 -12.029 5.328 -23.088 267 HB3 HIS 39 2HB HIS 39 -10.501 4.499 -23.376 268 HD2 HIS 39 2HD HIS 39 -10.582 4.043 -26.546 269 HE1 HIS 39 1HE HIS 39 -11.498 8.177 -26.814 270 HE2 HIS 39 2HE HIS 39 -10.759 6.124 -28.072 271 H SER 40 H SER 40 -11.030 1.250 -23.256 272 HA SER 40 HA SER 40 -12.423 1.014 -20.688 273 HB2 SER 40 1HB SER 40 -10.587 -1.124 -21.651 274 HB3 SER 40 2HB SER 40 -12.133 -1.260 -20.814 275 HG SER 40 HG SER 40 -12.456 -0.129 -23.242 276 H PHE 41 H PHE 41 -11.164 0.301 -18.803 277 HA PHE 41 HA PHE 41 -8.321 0.775 -18.800 278 HB2 PHE 41 1HB PHE 41 -10.089 2.598 -17.158 279 HB3 PHE 41 2HB PHE 41 -8.330 2.619 -17.227 280 HD1 PHE 41 2HD PHE 41 -11.376 3.142 -19.274 281 HD2 PHE 41 1HD PHE 41 -7.215 3.911 -18.815 282 HE1 PHE 41 2HE PHE 41 -11.474 4.761 -21.124 283 HE2 PHE 41 1HE PHE 41 -7.307 5.531 -20.664 284 HZ PHE 41 HZ PHE 41 -9.438 5.957 -21.823 285 H CYS 42 H CYS 42 -7.557 0.769 -16.366 286 HA CYS 42 HA CYS 42 -8.663 -1.657 -15.229 287 HB2 CYS 42 1HB CYS 42 -6.297 0.025 -14.375 288 HB3 CYS 42 2HB CYS 42 -6.731 -1.539 -13.693 289 H GLN 43 H GLN 43 -9.981 -1.770 -13.527 290 HA GLN 43 HA GLN 43 -11.440 0.283 -12.513 291 HB2 GLN 43 1HB GLN 43 -12.026 -2.005 -12.039 292 HB3 GLN 43 2HB GLN 43 -10.558 -2.235 -11.097 293 HG2 GLN 43 1HG GLN 43 -12.252 -1.990 -9.515 294 HG3 GLN 43 2HG GLN 43 -11.448 -0.421 -9.558 295 HE21 GLN 43 1HE2 GLN 43 -12.524 1.348 -10.380 296 HE22 GLN 43 2HE2 GLN 43 -14.222 1.343 -10.699 297 H ALA 44 H ALA 44 -8.155 -0.442 -11.803 298 HA ALA 44 HA ALA 44 -8.136 1.284 -9.442 299 HB1 ALA 44 3HB ALA 44 -6.529 -0.926 -10.373 300 HB2 ALA 44 1HB ALA 44 -5.526 0.460 -9.944 301 HB3 ALA 44 2HB ALA 44 -6.646 -0.219 -8.762 302 H CYS 45 H CYS 45 -6.283 0.953 -12.477 303 HA CYS 45 HA CYS 45 -4.798 3.237 -12.410 304 HB2 CYS 45 1HB CYS 45 -6.184 1.965 -14.774 305 HB3 CYS 45 2HB CYS 45 -4.989 3.249 -14.926 306 H LEU 46 H LEU 46 -8.203 2.945 -13.285 307 HA LEU 46 HA LEU 46 -8.573 5.591 -14.180 308 HB2 LEU 46 1HB LEU 46 -10.310 3.359 -13.318 309 HB3 LEU 46 2HB LEU 46 -11.017 4.973 -13.266 310 HG LEU 46 HG LEU 46 -9.697 3.962 -15.760 311 HD11 LEU 46 1HD1 LEU 46 -11.284 2.238 -15.171 312 HD12 LEU 46 2HD1 LEU 46 -11.908 3.187 -16.519 313 HD13 LEU 46 3HD1 LEU 46 -12.538 3.446 -14.892 314 HD21 LEU 46 3HD2 LEU 46 -11.781 5.465 -16.525 315 HD22 LEU 46 1HD2 LEU 46 -10.184 6.129 -16.179 316 HD23 LEU 46 2HD2 LEU 46 -11.452 6.197 -14.954 317 H THR 47 H THR 47 -9.031 4.091 -10.999 318 HA THR 47 HA THR 47 -10.029 6.362 -9.680 319 HB THR 47 HB THR 47 -8.475 4.022 -8.561 320 HG1 THR 47 1HG THR 47 -11.165 4.517 -9.157 321 HG21 THR 47 3HG2 THR 47 -10.208 5.986 -7.063 322 HG22 THR 47 1HG2 THR 47 -8.447 6.062 -7.107 323 HG23 THR 47 2HG2 THR 47 -9.252 4.667 -6.386 324 H ALA 48 H ALA 48 -6.717 5.132 -10.027 325 HA ALA 48 HA ALA 48 -5.507 7.162 -8.456 326 HB1 ALA 48 3HB ALA 48 -4.070 5.418 -8.617 327 HB2 ALA 48 1HB ALA 48 -4.569 5.014 -10.260 328 HB3 ALA 48 2HB ALA 48 -3.463 6.360 -9.979 329 H ASN 49 H ASN 49 -5.932 6.747 -11.958 330 HA ASN 49 HA ASN 49 -4.536 9.021 -12.785 331 HB2 ASN 49 1HB ASN 49 -5.292 7.221 -14.307 332 HB3 ASN 49 2HB ASN 49 -6.955 7.763 -14.099 333 HD21 ASN 49 1HD2 ASN 49 -3.784 9.147 -14.897 334 HD22 ASN 49 2HD2 ASN 49 -4.355 10.136 -16.194 335 H HIS 50 H HIS 50 -8.038 8.627 -12.244 336 HA HIS 50 HA HIS 50 -8.971 11.109 -12.813 337 HB2 HIS 50 1HB HIS 50 -9.720 9.291 -10.523 338 HB3 HIS 50 2HB HIS 50 -10.616 10.759 -10.905 339 HD2 HIS 50 2HD HIS 50 -10.408 10.105 -14.267 340 HE1 HIS 50 1HE HIS 50 -12.902 6.872 -13.115 341 HE2 HIS 50 2HE HIS 50 -12.003 8.222 -15.042 342 H LYS 51 H LYS 51 -7.512 10.139 -9.718 343 HA LYS 51 HA LYS 51 -7.719 12.652 -8.470 344 HB2 LYS 51 1HB LYS 51 -6.048 10.210 -8.014 345 HB3 LYS 51 2HB LYS 51 -5.684 11.682 -7.122 346 HG2 LYS 51 1HG LYS 51 -7.596 11.576 -5.888 347 HG3 LYS 51 2HG LYS 51 -8.496 10.731 -7.149 348 HD2 LYS 51 1HD LYS 51 -8.158 9.170 -5.394 349 HD3 LYS 51 2HD LYS 51 -7.038 8.726 -6.684 350 HE2 LYS 51 1HE LYS 51 -5.820 8.591 -4.656 351 HE3 LYS 51 2HE LYS 51 -5.284 10.063 -5.465 352 HZ1 LYS 51 3HZ LYS 51 -6.005 9.985 -2.916 353 HZ2 LYS 51 1HZ LYS 51 -7.503 10.354 -3.609 354 HZ3 LYS 51 2HZ LYS 51 -6.176 11.366 -3.878 355 H LYS 52 H LYS 52 -5.309 11.270 -10.608 356 HA LYS 52 HA LYS 52 -3.186 13.000 -10.226 357 HB2 LYS 52 1HB LYS 52 -3.267 10.968 -11.728 358 HB3 LYS 52 2HB LYS 52 -4.081 11.973 -12.921 359 HG2 LYS 52 1HG LYS 52 -1.494 12.921 -11.808 360 HG3 LYS 52 2HG LYS 52 -1.479 11.599 -12.978 361 HD2 LYS 52 1HD LYS 52 -2.251 12.920 -14.684 362 HD3 LYS 52 2HD LYS 52 -3.110 14.012 -13.595 363 HE2 LYS 52 1HE LYS 52 -1.048 15.043 -12.918 364 HE3 LYS 52 2HE LYS 52 -0.107 13.858 -13.824 365 HZ1 LYS 52 3HZ LYS 52 -0.816 16.270 -14.758 366 HZ2 LYS 52 1HZ LYS 52 -2.053 15.306 -15.394 367 HZ3 LYS 52 2HZ LYS 52 -0.437 14.944 -15.738 368 H SER 53 H SER 53 -5.989 13.401 -12.372 369 HA SER 53 HA SER 53 -5.227 15.859 -13.485 370 HB2 SER 53 1HB SER 53 -7.495 16.059 -14.241 371 HB3 SER 53 2HB SER 53 -7.075 14.347 -14.304 372 HG SER 53 HG SER 53 -8.485 15.608 -12.185 373 H MET 54 H MET 54 -7.074 15.088 -10.572 374 HA MET 54 HA MET 54 -8.136 17.426 -9.780 375 HB2 MET 54 1HB MET 54 -6.461 15.657 -7.990 376 HB3 MET 54 2HB MET 54 -7.692 16.794 -7.458 377 HG2 MET 54 1HG MET 54 -8.236 14.430 -9.235 378 HG3 MET 54 2HG MET 54 -8.415 14.418 -7.482 379 HE1 MET 54 3HE MET 54 -9.734 14.603 -10.611 380 HE2 MET 54 1HE MET 54 -11.334 14.234 -9.966 381 HE3 MET 54 2HE MET 54 -11.031 15.793 -10.732 382 H LEU 55 H LEU 55 -4.744 16.760 -10.101 383 HA LEU 55 HA LEU 55 -4.047 19.313 -8.845 384 HB2 LEU 55 1HB LEU 55 -2.294 17.058 -9.807 385 HB3 LEU 55 2HB LEU 55 -1.724 18.524 -9.013 386 HG LEU 55 HG LEU 55 -3.297 17.730 -7.076 387 HD11 LEU 55 1HD1 LEU 55 -3.306 15.247 -6.923 388 HD12 LEU 55 2HD1 LEU 55 -2.790 15.186 -8.607 389 HD13 LEU 55 3HD1 LEU 55 -4.351 15.893 -8.189 390 HD21 LEU 55 3HD2 LEU 55 -0.643 16.441 -7.702 391 HD22 LEU 55 1HD2 LEU 55 -1.414 16.467 -6.116 392 HD23 LEU 55 2HD2 LEU 55 -0.897 17.975 -6.869 393 H ASP 56 H ASP 56 -3.677 17.530 -11.882 394 HA ASP 56 HA ASP 56 -2.262 19.551 -13.261 395 HB2 ASP 56 1HB ASP 56 -2.505 17.088 -13.901 396 HB3 ASP 56 2HB ASP 56 -4.079 17.525 -14.560 397 H LYS 57 H LYS 57 -5.594 18.500 -13.954 398 HA LYS 57 HA LYS 57 -6.217 21.259 -14.738 399 HB2 LYS 57 1HB LYS 57 -7.730 18.709 -15.331 400 HB3 LYS 57 2HB LYS 57 -8.113 20.307 -15.958 401 HG2 LYS 57 1HG LYS 57 -5.448 19.039 -16.469 402 HG3 LYS 57 2HG LYS 57 -6.853 18.672 -17.474 403 HD2 LYS 57 1HD LYS 57 -6.161 21.524 -16.946 404 HD3 LYS 57 2HD LYS 57 -5.201 20.615 -18.115 405 HE2 LYS 57 1HE LYS 57 -7.032 20.259 -19.518 406 HE3 LYS 57 2HE LYS 57 -8.196 20.623 -18.245 407 HZ1 LYS 57 3HZ LYS 57 -6.889 22.395 -20.081 408 HZ2 LYS 57 1HZ LYS 57 -6.765 22.919 -18.477 409 HZ3 LYS 57 2HZ LYS 57 -8.287 22.635 -19.159 410 H GLY 58 H GLY 58 -7.607 18.522 -12.932 411 HA2 GLY 58 1HA GLY 58 -8.378 19.241 -10.630 412 HA3 GLY 58 2HA GLY 58 -9.300 20.465 -11.490 413 H GLU 59 H GLU 59 -10.030 18.711 -13.686 414 HA GLU 59 HA GLU 59 -12.083 17.144 -12.283 415 HB2 GLU 59 1HB GLU 59 -12.037 18.265 -15.090 416 HB3 GLU 59 2HB GLU 59 -13.324 17.257 -14.444 417 HG2 GLU 59 1HG GLU 59 -13.962 19.581 -14.369 418 HG3 GLU 59 2HG GLU 59 -13.783 18.947 -12.734 419 H SER 60 H SER 60 -12.243 14.994 -12.547 420 HA SER 60 HA SER 60 -10.155 13.673 -14.092 421 HB2 SER 60 1HB SER 60 -10.999 11.609 -12.923 422 HB3 SER 60 2HB SER 60 -10.414 12.871 -11.840 423 HG SER 60 HG SER 60 -13.110 12.957 -12.485 424 H SER 61 H SER 61 -10.500 12.348 -15.815 425 HA SER 61 HA SER 61 -13.014 11.314 -16.586 426 HB2 SER 61 1HB SER 61 -12.138 13.896 -17.860 427 HB3 SER 61 2HB SER 61 -13.131 12.740 -18.748 428 HG SER 61 HG SER 61 -14.759 13.020 -17.312 429 H CYS 62 H CYS 62 -12.927 10.437 -18.882 430 HA CYS 62 HA CYS 62 -11.012 8.617 -19.270 431 HB2 CYS 62 1HB CYS 62 -13.029 8.981 -20.724 432 HB3 CYS 62 2HB CYS 62 -12.124 10.230 -21.572 433 HA PRO 63 HA PRO 63 -7.312 11.117 -19.677 434 HB2 PRO 63 1HB PRO 63 -5.596 9.014 -19.604 435 HB3 PRO 63 2HB PRO 63 -6.346 9.692 -18.155 436 HG2 PRO 63 1HG PRO 63 -7.123 7.269 -19.732 437 HG3 PRO 63 2HG PRO 63 -7.041 7.481 -17.973 438 HD2 PRO 63 1HD PRO 63 -9.372 7.589 -19.346 439 HD3 PRO 63 2HD PRO 63 -9.082 8.547 -17.880 440 H VAL 64 H VAL 64 -8.837 9.153 -21.859 441 HA VAL 64 HA VAL 64 -6.668 9.268 -23.835 442 HB VAL 64 HB VAL 64 -9.296 7.780 -23.947 443 HG11 VAL 64 1HG1 VAL 64 -7.030 7.223 -25.791 444 HG12 VAL 64 2HG1 VAL 64 -8.766 7.022 -26.038 445 HG13 VAL 64 3HG1 VAL 64 -8.044 8.630 -26.111 446 HG21 VAL 64 3HG2 VAL 64 -7.517 6.996 -22.302 447 HG22 VAL 64 1HG2 VAL 64 -8.104 5.810 -23.468 448 HG23 VAL 64 2HG2 VAL 64 -6.544 6.593 -23.716 449 H CYS 65 H CYS 65 -10.115 10.053 -23.458 450 HA CYS 65 HA CYS 65 -9.790 12.072 -25.580 451 HB2 CYS 65 1HB CYS 65 -12.053 11.662 -26.317 452 HB3 CYS 65 2HB CYS 65 -11.178 10.134 -26.306 453 H ARG 66 H ARG 66 -10.806 11.329 -22.396 454 HA ARG 66 HA ARG 66 -11.535 12.620 -20.670 455 HB2 ARG 66 1HB ARG 66 -11.111 15.015 -22.456 456 HB3 ARG 66 2HB ARG 66 -11.103 14.967 -20.698 457 HG2 ARG 66 1HG ARG 66 -9.097 13.414 -22.285 458 HG3 ARG 66 2HG ARG 66 -8.863 15.130 -21.944 459 HD2 ARG 66 1HD ARG 66 -9.528 13.234 -19.729 460 HD3 ARG 66 2HD ARG 66 -7.875 13.341 -20.333 461 HE ARG 66 HE ARG 66 -9.121 15.856 -19.608 462 HH11 ARG 66 1HH1 ARG 66 -7.076 13.210 -18.641 463 HH12 ARG 66 2HH1 ARG 66 -6.307 14.099 -17.368 464 HH21 ARG 66 1HH2 ARG 66 -8.117 17.036 -17.935 465 HH22 ARG 66 2HH2 ARG 66 -6.901 16.275 -16.966 466 H ILE 67 H ILE 67 -13.490 11.467 -22.138 467 HA ILE 67 HA ILE 67 -15.439 13.144 -23.239 468 HB ILE 67 HB ILE 67 -15.335 10.598 -23.331 469 HG12 ILE 67 1HG1 ILE 67 -17.865 10.419 -23.371 470 HG13 ILE 67 2HG1 ILE 67 -17.910 12.074 -22.773 471 HG21 ILE 67 1HG2 ILE 67 -16.722 9.463 -21.584 472 HG22 ILE 67 2HG2 ILE 67 -15.166 10.065 -21.015 473 HG23 ILE 67 3HG2 ILE 67 -16.644 10.952 -20.643 474 HD11 ILE 67 3HD1 ILE 67 -18.216 11.903 -25.209 475 HD12 ILE 67 1HD1 ILE 67 -16.810 12.867 -24.756 476 HD13 ILE 67 2HD1 ILE 67 -16.597 11.216 -25.339 477 H SER 68 H SER 68 -17.445 13.882 -22.385 478 HA SER 68 HA SER 68 -17.197 14.932 -19.713 479 HB2 SER 68 1HB SER 68 -18.250 16.034 -21.867 480 HB3 SER 68 2HB SER 68 -19.708 15.207 -21.320 481 HG SER 68 HG SER 68 -18.179 17.151 -19.940 482 H TYR 69 H TYR 69 -17.732 13.779 -17.990 483 HA TYR 69 HA TYR 69 -20.288 12.679 -17.596 484 HB2 TYR 69 1HB TYR 69 -19.913 10.337 -17.682 485 HB3 TYR 69 2HB TYR 69 -19.283 10.979 -19.194 486 HD1 TYR 69 2HD TYR 69 -16.659 12.021 -18.340 487 HD2 TYR 69 1HD TYR 69 -18.655 8.414 -17.288 488 HE1 TYR 69 2HE TYR 69 -14.487 10.956 -17.892 489 HE2 TYR 69 1HE TYR 69 -16.490 7.340 -16.836 490 HH TYR 69 HH TYR 69 -13.877 7.970 -17.849 491 H GLN 70 H GLN 70 -20.248 11.168 -15.573 492 HA GLN 70 HA GLN 70 -18.275 12.273 -13.685 493 HB2 GLN 70 1HB GLN 70 -21.203 11.684 -13.374 494 HB3 GLN 70 2HB GLN 70 -20.145 11.741 -11.970 495 HG2 GLN 70 1HG GLN 70 -21.003 13.880 -12.060 496 HG3 GLN 70 2HG GLN 70 -19.444 14.049 -12.865 497 HE21 GLN 70 1HE2 GLN 70 -22.823 14.352 -13.144 498 HE22 GLN 70 2HE2 GLN 70 -22.878 14.854 -14.796 499 HA PRO 71 HA PRO 71 -17.013 8.044 -13.198 500 HB2 PRO 71 1HB PRO 71 -15.264 8.482 -11.169 501 HB3 PRO 71 2HB PRO 71 -14.903 8.883 -12.852 502 HG2 PRO 71 1HG PRO 71 -15.834 10.669 -10.636 503 HG3 PRO 71 2HG PRO 71 -14.586 10.964 -11.862 504 HD2 PRO 71 1HD PRO 71 -17.089 11.980 -12.056 505 HD3 PRO 71 2HD PRO 71 -16.129 11.525 -13.479 506 H GLU 72 H GLU 72 -18.911 9.859 -11.138 507 HA GLU 72 HA GLU 72 -18.877 8.111 -8.856 508 HB2 GLU 72 1HB GLU 72 -20.537 9.519 -7.930 509 HB3 GLU 72 2HB GLU 72 -19.456 10.581 -8.821 510 HG2 GLU 72 1HG GLU 72 -21.455 11.405 -9.508 511 HG3 GLU 72 2HG GLU 72 -21.200 10.181 -10.751 512 H ASN 73 H ASN 73 -20.687 8.380 -11.818 513 HA ASN 73 HA ASN 73 -22.426 6.169 -10.944 514 HB2 ASN 73 1HB ASN 73 -23.924 6.913 -12.833 515 HB3 ASN 73 2HB ASN 73 -23.771 8.064 -11.509 516 HD21 ASN 73 1HD2 ASN 73 -24.440 9.716 -12.928 517 HD22 ASN 73 2HD2 ASN 73 -23.348 10.397 -14.081 518 H ILE 74 H ILE 74 -20.682 4.687 -11.457 519 HA ILE 74 HA ILE 74 -20.859 3.783 -14.199 520 HB ILE 74 HB ILE 74 -18.162 4.466 -13.023 521 HG12 ILE 74 1HG1 ILE 74 -19.650 5.694 -15.355 522 HG13 ILE 74 2HG1 ILE 74 -19.407 6.452 -13.785 523 HG21 ILE 74 1HG2 ILE 74 -18.887 2.540 -14.938 524 HG22 ILE 74 2HG2 ILE 74 -18.143 3.872 -15.822 525 HG23 ILE 74 3HG2 ILE 74 -17.265 3.085 -14.510 526 HD11 ILE 74 3HD1 ILE 74 -16.937 6.283 -14.214 527 HD12 ILE 74 1HD1 ILE 74 -17.340 5.811 -15.865 528 HD13 ILE 74 2HD1 ILE 74 -17.825 7.394 -15.256 529 H ARG 75 H ARG 75 -20.574 1.608 -14.396 530 HA ARG 75 HA ARG 75 -19.268 0.071 -12.332 531 HB2 ARG 75 1HB ARG 75 -21.191 -1.263 -11.715 532 HB3 ARG 75 2HB ARG 75 -21.529 0.432 -11.392 533 HG2 ARG 75 1HG ARG 75 -22.634 0.397 -13.738 534 HG3 ARG 75 2HG ARG 75 -22.658 -1.352 -13.501 535 HD2 ARG 75 1HD ARG 75 -23.707 0.504 -11.396 536 HD3 ARG 75 2HD ARG 75 -24.709 0.038 -12.769 537 HE ARG 75 HE ARG 75 -23.596 -2.256 -11.556 538 HH11 ARG 75 1HH1 ARG 75 -26.013 0.196 -11.046 539 HH12 ARG 75 2HH1 ARG 75 -27.020 -0.817 -10.065 540 HH21 ARG 75 1HH2 ARG 75 -24.913 -3.599 -10.267 541 HH22 ARG 75 2HH2 ARG 75 -26.393 -2.975 -9.622 542 HA PRO 76 HA PRO 76 -18.456 -2.528 -15.785 543 HB2 PRO 76 1HB PRO 76 -17.868 -4.840 -14.488 544 HB3 PRO 76 2HB PRO 76 -16.778 -3.449 -14.514 545 HG2 PRO 76 1HG PRO 76 -18.691 -4.317 -12.381 546 HG3 PRO 76 2HG PRO 76 -17.026 -3.727 -12.219 547 HD2 PRO 76 1HD PRO 76 -19.181 -2.151 -11.769 548 HD3 PRO 76 2HD PRO 76 -17.656 -1.519 -12.421 549 H ASN 77 H ASN 77 -19.551 -3.867 -17.131 550 HA ASN 77 HA ASN 77 -21.966 -5.169 -16.056 551 HB2 ASN 77 1HB ASN 77 -22.967 -4.881 -18.286 552 HB3 ASN 77 2HB ASN 77 -22.502 -3.333 -17.586 553 HD21 ASN 77 1HD2 ASN 77 -20.276 -2.582 -18.217 554 HD22 ASN 77 2HD2 ASN 77 -19.822 -2.801 -19.870 555 H ARG 78 H ARG 78 -21.309 -7.228 -15.717 556 HA ARG 78 HA ARG 78 -20.181 -8.665 -18.030 557 HB2 ARG 78 1HB ARG 78 -18.758 -8.297 -15.842 558 HB3 ARG 78 2HB ARG 78 -19.731 -9.632 -15.238 559 HG2 ARG 78 1HG ARG 78 -18.994 -10.781 -17.470 560 HG3 ARG 78 2HG ARG 78 -17.683 -9.602 -17.396 561 HD2 ARG 78 1HD ARG 78 -18.411 -11.495 -15.166 562 HD3 ARG 78 2HD ARG 78 -17.133 -11.786 -16.345 563 HE ARG 78 HE ARG 78 -16.414 -9.413 -15.353 564 HH11 ARG 78 1HH1 ARG 78 -17.419 -12.352 -13.780 565 HH12 ARG 78 2HH1 ARG 78 -16.469 -12.070 -12.359 566 HH21 ARG 78 1HH2 ARG 78 -15.159 -9.031 -13.487 567 HH22 ARG 78 2HH2 ARG 78 -15.185 -10.180 -12.193 568 H HIS 79 H HIS 79 -21.649 -9.979 -18.871 569 HA HIS 79 HA HIS 79 -23.464 -11.411 -17.043 570 HB2 HIS 79 1HB HIS 79 -24.046 -10.250 -19.769 571 HB3 HIS 79 2HB HIS 79 -25.105 -11.405 -18.967 572 HD2 HIS 79 2HD HIS 79 -25.890 -8.171 -19.589 573 HE1 HIS 79 1HE HIS 79 -25.922 -7.982 -15.351 574 HE2 HIS 79 2HE HIS 79 -26.720 -6.913 -17.487 575 H VAL 80 H VAL 80 -21.064 -12.533 -17.615 576 HA VAL 80 HA VAL 80 -21.784 -14.679 -19.502 577 HB VAL 80 HB VAL 80 -19.482 -14.912 -20.174 578 HG11 VAL 80 1HG1 VAL 80 -20.088 -11.971 -20.330 579 HG12 VAL 80 2HG1 VAL 80 -19.254 -12.983 -21.511 580 HG13 VAL 80 3HG1 VAL 80 -20.988 -13.176 -21.250 581 HG21 VAL 80 3HG2 VAL 80 -18.902 -13.661 -17.764 582 HG22 VAL 80 1HG2 VAL 80 -17.747 -14.143 -19.008 583 HG23 VAL 80 2HG2 VAL 80 -18.395 -12.502 -18.993 584 H ALA 81 H ALA 81 -20.379 -16.681 -19.097 585 HA ALA 81 HA ALA 81 -20.718 -17.425 -16.338 586 HB1 ALA 81 3HB ALA 81 -19.492 -19.565 -17.430 587 HB2 ALA 81 1HB ALA 81 -21.226 -19.262 -17.538 588 HB3 ALA 81 2HB ALA 81 -20.167 -18.813 -18.876 589 H ASN 82 H ASN 82 -18.899 -15.407 -16.366 590 HA ASN 82 HA ASN 82 -16.318 -16.757 -15.926 591 HB2 ASN 82 1HB ASN 82 -16.439 -14.932 -17.697 592 HB3 ASN 82 2HB ASN 82 -16.701 -13.797 -16.376 593 HD21 ASN 82 1HD2 ASN 82 -14.490 -16.358 -17.419 594 HD22 ASN 82 2HD2 ASN 82 -13.058 -15.607 -16.811 595 H ILE 83 H ILE 83 -16.969 -17.380 -13.799 596 HA ILE 83 HA ILE 83 -17.550 -15.299 -11.865 597 HB ILE 83 HB ILE 83 -17.156 -18.268 -11.471 598 HG12 ILE 83 1HG1 ILE 83 -19.782 -16.858 -11.223 599 HG13 ILE 83 2HG1 ILE 83 -19.177 -17.248 -12.829 600 HG21 ILE 83 1HG2 ILE 83 -17.969 -16.069 -9.594 601 HG22 ILE 83 2HG2 ILE 83 -18.377 -17.758 -9.294 602 HG23 ILE 83 3HG2 ILE 83 -16.687 -17.265 -9.400 603 HD11 ILE 83 3HD1 ILE 83 -19.444 -19.487 -12.535 604 HD12 ILE 83 1HD1 ILE 83 -19.211 -19.400 -10.789 605 HD13 ILE 83 2HD1 ILE 83 -20.742 -18.889 -11.502 606 H VAL 84 H VAL 84 -16.219 -14.614 -10.230 607 HA VAL 84 HA VAL 84 -13.413 -14.761 -10.694 608 HB VAL 84 HB VAL 84 -14.842 -13.703 -8.252 609 HG11 VAL 84 1HG1 VAL 84 -12.736 -12.237 -8.209 610 HG12 VAL 84 2HG1 VAL 84 -12.588 -13.913 -7.676 611 HG13 VAL 84 3HG1 VAL 84 -12.038 -13.447 -9.286 612 HG21 VAL 84 3HG2 VAL 84 -14.063 -11.536 -9.740 613 HG22 VAL 84 1HG2 VAL 84 -14.604 -12.675 -10.973 614 HG23 VAL 84 2HG2 VAL 84 -15.696 -12.198 -9.673 615 H GLU 85 H GLU 85 -13.365 -17.180 -10.594 616 HA GLU 85 HA GLU 85 -12.652 -18.001 -7.874 617 HB2 GLU 85 1HB GLU 85 -14.683 -19.271 -9.653 618 HB3 GLU 85 2HB GLU 85 -13.680 -20.317 -8.657 619 HG2 GLU 85 1HG GLU 85 -14.418 -19.136 -6.657 620 HG3 GLU 85 2HG GLU 85 -15.414 -18.072 -7.649 Start of MODEL 11 1 H1 GLY 1 H GLY 1 39.567 -30.489 -12.695 2 HA2 GLY 1 1HA GLY 1 39.950 -29.610 -14.982 3 HA3 GLY 1 2HA GLY 1 38.379 -30.283 -15.394 4 H SER 2 H SER 2 39.228 -27.555 -15.705 5 HA SER 2 HA SER 2 37.564 -26.177 -13.709 6 HB2 SER 2 1HB SER 2 39.630 -25.051 -15.616 7 HB3 SER 2 2HB SER 2 38.700 -24.111 -14.450 8 HG SER 2 HG SER 2 40.681 -24.609 -13.544 9 H SER 3 H SER 3 35.623 -25.476 -14.286 10 HA SER 3 HA SER 3 35.104 -24.565 -16.988 11 HB2 SER 3 1HB SER 3 34.693 -27.052 -17.010 12 HB3 SER 3 2HB SER 3 33.409 -26.787 -15.831 13 HG SER 3 HG SER 3 33.315 -26.514 -18.485 14 H GLY 4 H GLY 4 33.005 -23.507 -17.195 15 HA2 GLY 4 1HA GLY 4 32.037 -22.529 -14.579 16 HA3 GLY 4 2HA GLY 4 32.135 -21.526 -16.019 17 H SER 5 H SER 5 29.851 -21.107 -15.437 18 HA SER 5 HA SER 5 28.120 -23.112 -16.713 19 HB2 SER 5 1HB SER 5 26.349 -22.600 -15.056 20 HB3 SER 5 2HB SER 5 27.778 -23.310 -14.305 21 HG SER 5 HG SER 5 28.272 -20.809 -14.189 22 H SER 6 H SER 6 27.085 -22.280 -18.390 23 HA SER 6 HA SER 6 26.248 -19.469 -18.309 24 HB2 SER 6 1HB SER 6 28.281 -19.410 -19.593 25 HB3 SER 6 2HB SER 6 27.778 -20.801 -20.552 26 HG SER 6 HG SER 6 26.456 -18.289 -20.502 27 H GLY 7 H GLY 7 24.574 -18.950 -19.909 28 HA2 GLY 7 1HA GLY 7 23.133 -20.141 -21.663 29 HA3 GLY 7 2HA GLY 7 22.850 -21.296 -20.369 30 H MET 8 H MET 8 21.256 -19.112 -21.953 31 HA MET 8 HA MET 8 20.224 -17.498 -19.781 32 HB2 MET 8 1HB MET 8 19.467 -17.712 -22.696 33 HB3 MET 8 2HB MET 8 18.670 -16.631 -21.561 34 HG2 MET 8 1HG MET 8 21.633 -16.525 -21.934 35 HG3 MET 8 2HG MET 8 20.551 -15.721 -23.069 36 HE1 MET 8 3HE MET 8 22.720 -13.919 -20.388 37 HE2 MET 8 1HE MET 8 22.565 -14.292 -22.105 38 HE3 MET 8 2HE MET 8 21.891 -12.794 -21.465 39 H ALA 9 H ALA 9 19.050 -18.638 -18.343 40 HA ALA 9 HA ALA 9 17.246 -20.732 -19.184 41 HB1 ALA 9 3HB ALA 9 18.488 -21.007 -17.121 42 HB2 ALA 9 1HB ALA 9 17.756 -19.545 -16.459 43 HB3 ALA 9 2HB ALA 9 16.757 -20.962 -16.785 44 H SER 10 H SER 10 16.448 -18.475 -20.442 45 HA SER 10 HA SER 10 14.455 -17.040 -18.962 46 HB2 SER 10 1HB SER 10 13.879 -16.046 -21.155 47 HB3 SER 10 2HB SER 10 15.611 -15.970 -20.831 48 HG SER 10 HG SER 10 14.264 -17.839 -22.489 49 H GLY 11 H GLY 11 12.761 -18.186 -18.230 50 HA2 GLY 11 1HA GLY 11 11.603 -20.340 -19.760 51 HA3 GLY 11 2HA GLY 11 11.044 -19.744 -18.205 52 H ILE 12 H ILE 12 11.417 -18.231 -21.410 53 HA ILE 12 HA ILE 12 8.760 -17.061 -21.110 54 HB ILE 12 HB ILE 12 9.342 -15.764 -23.144 55 HG12 ILE 12 1HG1 ILE 12 12.105 -16.945 -22.843 56 HG13 ILE 12 2HG1 ILE 12 10.934 -17.536 -24.018 57 HG21 ILE 12 1HG2 ILE 12 10.421 -14.193 -21.928 58 HG22 ILE 12 2HG2 ILE 12 10.077 -15.308 -20.607 59 HG23 ILE 12 3HG2 ILE 12 11.663 -15.316 -21.377 60 HD11 ILE 12 3HD1 ILE 12 12.786 -15.567 -24.439 61 HD12 ILE 12 1HD1 ILE 12 11.351 -15.863 -25.420 62 HD13 ILE 12 2HD1 ILE 12 11.308 -14.656 -24.135 63 H LEU 13 H LEU 13 7.035 -17.542 -22.373 64 HA LEU 13 HA LEU 13 7.377 -19.758 -24.280 65 HB2 LEU 13 1HB LEU 13 4.945 -18.916 -22.711 66 HB3 LEU 13 2HB LEU 13 4.987 -20.228 -23.887 67 HG LEU 13 HG LEU 13 6.450 -20.127 -21.251 68 HD11 LEU 13 1HD1 LEU 13 4.112 -21.750 -22.236 69 HD12 LEU 13 2HD1 LEU 13 4.119 -20.564 -20.932 70 HD13 LEU 13 3HD1 LEU 13 4.998 -22.082 -20.747 71 HD21 LEU 13 3HD2 LEU 13 6.417 -22.276 -23.368 72 HD22 LEU 13 1HD2 LEU 13 7.162 -22.405 -21.774 73 HD23 LEU 13 2HD2 LEU 13 7.791 -21.251 -22.950 74 H VAL 14 H VAL 14 6.659 -19.566 -26.341 75 HA VAL 14 HA VAL 14 6.472 -17.138 -27.600 76 HB VAL 14 HB VAL 14 6.792 -19.169 -28.867 77 HG11 VAL 14 1HG1 VAL 14 3.906 -19.870 -28.390 78 HG12 VAL 14 2HG1 VAL 14 5.157 -20.854 -29.153 79 HG13 VAL 14 3HG1 VAL 14 5.224 -20.527 -27.421 80 HG21 VAL 14 3HG2 VAL 14 6.058 -17.673 -30.404 81 HG22 VAL 14 1HG2 VAL 14 4.705 -18.800 -30.501 82 HG23 VAL 14 2HG2 VAL 14 4.566 -17.336 -29.526 83 H ASN 15 H ASN 15 5.091 -15.528 -27.286 84 HA ASN 15 HA ASN 15 2.305 -15.813 -27.674 85 HB2 ASN 15 1HB ASN 15 1.445 -15.403 -25.483 86 HB3 ASN 15 2HB ASN 15 2.560 -16.759 -25.345 87 HD21 ASN 15 1HD2 ASN 15 2.357 -13.252 -24.982 88 HD22 ASN 15 2HD2 ASN 15 3.502 -13.142 -23.692 89 H VAL 16 H VAL 16 1.264 -13.831 -27.893 90 HA VAL 16 HA VAL 16 3.065 -11.508 -27.883 91 HB VAL 16 HB VAL 16 1.549 -10.478 -29.485 92 HG11 VAL 16 1HG1 VAL 16 2.496 -13.258 -30.122 93 HG12 VAL 16 2HG1 VAL 16 1.783 -12.203 -31.345 94 HG13 VAL 16 3HG1 VAL 16 3.261 -11.718 -30.513 95 HG21 VAL 16 3HG2 VAL 16 -0.417 -11.947 -28.444 96 HG22 VAL 16 1HG2 VAL 16 -0.500 -11.268 -30.069 97 HG23 VAL 16 2HG2 VAL 16 -0.039 -12.955 -29.841 98 H LYS 17 H LYS 17 1.666 -9.372 -27.717 99 HA LYS 17 HA LYS 17 0.938 -8.988 -25.112 100 HB2 LYS 17 1HB LYS 17 -0.400 -7.012 -25.962 101 HB3 LYS 17 2HB LYS 17 1.280 -7.079 -26.477 102 HG2 LYS 17 1HG LYS 17 0.330 -6.584 -28.469 103 HG3 LYS 17 2HG LYS 17 0.194 -8.342 -28.545 104 HD2 LYS 17 1HD LYS 17 -1.937 -7.611 -29.137 105 HD3 LYS 17 2HD LYS 17 -2.101 -7.994 -27.422 106 HE2 LYS 17 1HE LYS 17 -2.158 -5.757 -26.801 107 HE3 LYS 17 2HE LYS 17 -1.385 -5.221 -28.292 108 HZ1 LYS 17 3HZ LYS 17 -4.018 -5.075 -27.809 109 HZ2 LYS 17 1HZ LYS 17 -3.932 -6.536 -28.658 110 HZ3 LYS 17 2HZ LYS 17 -3.336 -5.116 -29.356 111 H GLU 18 H GLU 18 -1.250 -8.397 -24.236 112 HA GLU 18 HA GLU 18 -3.050 -10.604 -24.697 113 HB2 GLU 18 1HB GLU 18 -3.367 -8.250 -22.828 114 HB3 GLU 18 2HB GLU 18 -4.286 -9.748 -22.788 115 HG2 GLU 18 1HG GLU 18 -2.655 -9.824 -21.056 116 HG3 GLU 18 2HG GLU 18 -2.177 -10.965 -22.312 117 H GLU 19 H GLU 19 -5.086 -10.533 -25.555 118 HA GLU 19 HA GLU 19 -5.746 -9.008 -27.655 119 HB2 GLU 19 1HB GLU 19 -8.158 -9.413 -27.105 120 HB3 GLU 19 2HB GLU 19 -7.146 -10.850 -27.053 121 HG2 GLU 19 1HG GLU 19 -7.801 -9.269 -24.591 122 HG3 GLU 19 2HG GLU 19 -8.846 -10.554 -25.195 123 H VAL 20 H VAL 20 -6.318 -8.122 -24.283 124 HA VAL 20 HA VAL 20 -6.851 -5.367 -25.181 125 HB VAL 20 HB VAL 20 -8.110 -6.660 -22.761 126 HG11 VAL 20 1HG1 VAL 20 -9.450 -4.343 -23.802 127 HG12 VAL 20 2HG1 VAL 20 -8.781 -4.619 -22.192 128 HG13 VAL 20 3HG1 VAL 20 -7.758 -3.972 -23.475 129 HG21 VAL 20 3HG2 VAL 20 -10.055 -7.056 -23.951 130 HG22 VAL 20 1HG2 VAL 20 -9.623 -5.923 -25.233 131 HG23 VAL 20 2HG2 VAL 20 -8.810 -7.485 -25.125 132 H THR 21 H THR 21 -5.349 -4.005 -24.496 133 HA THR 21 HA THR 21 -3.917 -4.625 -21.994 134 HB THR 21 HB THR 21 -2.830 -2.959 -24.265 135 HG1 THR 21 1HG THR 21 -2.087 -5.638 -23.699 136 HG21 THR 21 3HG2 THR 21 -0.724 -3.182 -23.166 137 HG22 THR 21 1HG2 THR 21 -1.374 -4.359 -22.026 138 HG23 THR 21 2HG2 THR 21 -1.891 -2.675 -21.945 139 H CYS 22 H CYS 22 -3.479 -2.953 -20.553 140 HA CYS 22 HA CYS 22 -5.384 -0.799 -20.586 141 HB2 CYS 22 1HB CYS 22 -4.831 -1.949 -18.492 142 HB3 CYS 22 2HB CYS 22 -3.156 -1.425 -18.636 143 HA PRO 23 HA PRO 23 -2.706 2.058 -22.679 144 HB2 PRO 23 1HB PRO 23 -4.291 4.240 -22.369 145 HB3 PRO 23 2HB PRO 23 -4.627 2.969 -23.550 146 HG2 PRO 23 1HG PRO 23 -5.814 3.393 -20.835 147 HG3 PRO 23 2HG PRO 23 -6.619 2.944 -22.350 148 HD2 PRO 23 1HD PRO 23 -6.007 1.132 -20.432 149 HD3 PRO 23 2HD PRO 23 -6.013 0.728 -22.161 150 H ILE 24 H ILE 24 -3.260 1.820 -19.426 151 HA ILE 24 HA ILE 24 -1.742 4.259 -18.794 152 HB ILE 24 HB ILE 24 -3.547 2.547 -17.097 153 HG12 ILE 24 1HG1 ILE 24 -3.645 5.531 -17.394 154 HG13 ILE 24 2HG1 ILE 24 -4.327 4.501 -18.648 155 HG21 ILE 24 1HG2 ILE 24 -1.559 3.054 -15.790 156 HG22 ILE 24 2HG2 ILE 24 -1.721 4.765 -16.183 157 HG23 ILE 24 3HG2 ILE 24 -2.945 3.968 -15.195 158 HD11 ILE 24 3HD1 ILE 24 -5.210 4.889 -15.828 159 HD12 ILE 24 1HD1 ILE 24 -6.150 4.939 -17.319 160 HD13 ILE 24 2HD1 ILE 24 -5.595 3.392 -16.677 161 H CYS 25 H CYS 25 -2.063 1.051 -17.273 162 HA CYS 25 HA CYS 25 0.705 1.090 -16.479 163 HB2 CYS 25 1HB CYS 25 0.201 -1.119 -15.481 164 HB3 CYS 25 2HB CYS 25 -0.945 0.120 -14.980 165 H LEU 26 H LEU 26 -0.854 0.317 -19.304 166 HA LEU 26 HA LEU 26 -0.410 -1.070 -21.084 167 HB2 LEU 26 1HB LEU 26 2.456 -0.425 -20.482 168 HB3 LEU 26 2HB LEU 26 1.679 -0.626 -22.051 169 HG LEU 26 HG LEU 26 1.193 1.688 -20.177 170 HD11 LEU 26 1HD1 LEU 26 2.551 2.153 -22.733 171 HD12 LEU 26 2HD1 LEU 26 3.493 1.244 -21.551 172 HD13 LEU 26 3HD1 LEU 26 2.860 2.837 -21.137 173 HD21 LEU 26 3HD2 LEU 26 -0.639 1.891 -21.450 174 HD22 LEU 26 1HD2 LEU 26 -0.035 0.769 -22.669 175 HD23 LEU 26 2HD2 LEU 26 0.474 2.457 -22.696 176 H GLU 27 H GLU 27 -0.779 -2.659 -18.895 177 HA GLU 27 HA GLU 27 1.357 -4.675 -19.132 178 HB2 GLU 27 1HB GLU 27 -0.572 -4.185 -16.857 179 HB3 GLU 27 2HB GLU 27 0.563 -5.526 -16.933 180 HG2 GLU 27 1HG GLU 27 2.296 -3.553 -17.272 181 HG3 GLU 27 2HG GLU 27 1.050 -2.652 -16.410 182 H LEU 28 H LEU 28 -2.006 -4.835 -17.997 183 HA LEU 28 HA LEU 28 -2.903 -6.343 -20.254 184 HB2 LEU 28 1HB LEU 28 -1.847 -8.212 -19.402 185 HB3 LEU 28 2HB LEU 28 -2.117 -7.728 -17.729 186 HG LEU 28 HG LEU 28 -4.435 -8.395 -17.868 187 HD11 LEU 28 1HD1 LEU 28 -3.982 -8.170 -20.678 188 HD12 LEU 28 2HD1 LEU 28 -5.501 -8.386 -19.809 189 HD13 LEU 28 3HD1 LEU 28 -4.564 -9.794 -20.309 190 HD21 LEU 28 3HD2 LEU 28 -4.076 -10.643 -17.698 191 HD22 LEU 28 1HD2 LEU 28 -2.409 -10.071 -17.625 192 HD23 LEU 28 2HD2 LEU 28 -3.057 -10.704 -19.138 193 H LEU 29 H LEU 29 -5.120 -6.492 -20.338 194 HA LEU 29 HA LEU 29 -6.575 -5.316 -18.062 195 HB2 LEU 29 1HB LEU 29 -6.777 -4.872 -20.994 196 HB3 LEU 29 2HB LEU 29 -8.256 -4.791 -20.038 197 HG LEU 29 HG LEU 29 -5.840 -3.010 -19.907 198 HD11 LEU 29 1HD1 LEU 29 -8.788 -2.491 -20.264 199 HD12 LEU 29 2HD1 LEU 29 -7.554 -2.417 -21.521 200 HD13 LEU 29 3HD1 LEU 29 -7.530 -1.257 -20.193 201 HD21 LEU 29 3HD2 LEU 29 -7.845 -3.622 -17.798 202 HD22 LEU 29 1HD2 LEU 29 -7.326 -1.949 -18.002 203 HD23 LEU 29 2HD2 LEU 29 -6.137 -3.204 -17.651 204 H THR 30 H THR 30 -7.146 -7.251 -17.099 205 HA THR 30 HA THR 30 -8.405 -9.354 -18.620 206 HB THR 30 HB THR 30 -8.376 -9.164 -15.614 207 HG1 THR 30 1HG THR 30 -6.275 -9.326 -15.692 208 HG21 THR 30 3HG2 THR 30 -9.056 -11.295 -15.659 209 HG22 THR 30 1HG2 THR 30 -7.860 -11.732 -16.878 210 HG23 THR 30 2HG2 THR 30 -9.406 -11.040 -17.368 211 H GLN 31 H GLN 31 -9.518 -7.534 -15.758 212 HA GLN 31 HA GLN 31 -12.239 -7.634 -16.884 213 HB2 GLN 31 1HB GLN 31 -13.041 -7.534 -14.529 214 HB3 GLN 31 2HB GLN 31 -12.136 -8.995 -14.903 215 HG2 GLN 31 1HG GLN 31 -10.292 -8.321 -13.662 216 HG3 GLN 31 2HG GLN 31 -10.788 -6.630 -13.665 217 HE21 GLN 31 1HE2 GLN 31 -12.056 -5.884 -12.065 218 HE22 GLN 31 2HE2 GLN 31 -12.658 -6.847 -10.763 219 HA PRO 32 HA PRO 32 -10.807 -3.187 -16.390 220 HB2 PRO 32 1HB PRO 32 -11.219 -2.467 -18.975 221 HB3 PRO 32 2HB PRO 32 -9.692 -3.144 -18.399 222 HG2 PRO 32 1HG PRO 32 -11.945 -4.500 -19.829 223 HG3 PRO 32 2HG PRO 32 -10.198 -4.663 -20.085 224 HD2 PRO 32 1HD PRO 32 -11.641 -6.478 -18.686 225 HD3 PRO 32 2HD PRO 32 -9.945 -6.111 -18.309 226 H LEU 33 H LEU 33 -12.117 -1.216 -16.984 227 HA LEU 33 HA LEU 33 -14.971 -1.866 -16.756 228 HB2 LEU 33 1HB LEU 33 -13.715 0.807 -16.215 229 HB3 LEU 33 2HB LEU 33 -15.281 0.205 -15.675 230 HG LEU 33 HG LEU 33 -12.579 -0.696 -14.680 231 HD11 LEU 33 1HD1 LEU 33 -13.680 0.232 -12.513 232 HD12 LEU 33 2HD1 LEU 33 -14.677 1.155 -13.637 233 HD13 LEU 33 3HD1 LEU 33 -12.923 1.340 -13.658 234 HD21 LEU 33 3HD2 LEU 33 -15.079 -1.476 -13.310 235 HD22 LEU 33 1HD2 LEU 33 -13.563 -2.356 -13.499 236 HD23 LEU 33 2HD2 LEU 33 -14.720 -2.298 -14.829 237 H SER 34 H SER 34 -16.502 -0.367 -17.808 238 HA SER 34 HA SER 34 -15.507 0.384 -20.470 239 HB2 SER 34 1HB SER 34 -17.315 -1.306 -20.408 240 HB3 SER 34 2HB SER 34 -18.352 -0.147 -19.577 241 HG SER 34 HG SER 34 -17.787 -0.369 -22.221 242 H LEU 35 H LEU 35 -16.300 2.329 -21.458 243 HA LEU 35 HA LEU 35 -17.261 4.355 -19.554 244 HB2 LEU 35 1HB LEU 35 -15.216 4.901 -21.691 245 HB3 LEU 35 2HB LEU 35 -15.743 5.979 -20.400 246 HG LEU 35 HG LEU 35 -14.218 3.422 -19.927 247 HD11 LEU 35 1HD1 LEU 35 -13.175 6.246 -20.073 248 HD12 LEU 35 2HD1 LEU 35 -12.874 4.974 -21.256 249 HD13 LEU 35 3HD1 LEU 35 -12.251 4.816 -19.614 250 HD21 LEU 35 3HD2 LEU 35 -14.388 5.762 -18.076 251 HD22 LEU 35 1HD2 LEU 35 -14.059 4.067 -17.716 252 HD23 LEU 35 2HD2 LEU 35 -15.696 4.579 -18.127 253 H ASP 36 H ASP 36 -17.737 6.469 -20.977 254 HA ASP 36 HA ASP 36 -19.909 5.720 -22.680 255 HB2 ASP 36 1HB ASP 36 -18.712 8.402 -21.973 256 HB3 ASP 36 2HB ASP 36 -20.125 8.214 -23.007 257 H CYS 37 H CYS 37 -16.620 6.082 -23.200 258 HA CYS 37 HA CYS 37 -16.998 6.741 -26.042 259 HB2 CYS 37 1HB CYS 37 -14.710 7.428 -26.109 260 HB3 CYS 37 2HB CYS 37 -15.422 8.155 -24.672 261 H GLY 38 H GLY 38 -15.993 4.280 -23.828 262 HA2 GLY 38 1HA GLY 38 -16.170 1.985 -24.720 263 HA3 GLY 38 2HA GLY 38 -15.289 2.561 -26.128 264 H HIS 39 H HIS 39 -13.174 3.854 -25.227 265 HA HIS 39 HA HIS 39 -11.230 2.109 -24.698 266 HB2 HIS 39 1HB HIS 39 -11.488 4.866 -23.485 267 HB3 HIS 39 2HB HIS 39 -10.000 3.923 -23.474 268 HD2 HIS 39 2HD HIS 39 -9.622 3.045 -26.478 269 HE1 HIS 39 1HE HIS 39 -10.483 7.062 -27.536 270 HE2 HIS 39 2HE HIS 39 -9.571 4.852 -28.328 271 H SER 40 H SER 40 -10.721 0.672 -23.188 272 HA SER 40 HA SER 40 -12.167 0.736 -20.647 273 HB2 SER 40 1HB SER 40 -10.364 -1.531 -21.327 274 HB3 SER 40 2HB SER 40 -11.954 -1.545 -20.566 275 HG SER 40 HG SER 40 -11.921 -2.388 -22.735 276 H PHE 41 H PHE 41 -10.918 -0.029 -18.695 277 HA PHE 41 HA PHE 41 -8.092 0.483 -18.639 278 HB2 PHE 41 1HB PHE 41 -9.927 2.385 -17.167 279 HB3 PHE 41 2HB PHE 41 -8.168 2.374 -17.089 280 HD1 PHE 41 2HD PHE 41 -11.037 2.909 -19.366 281 HD2 PHE 41 1HD PHE 41 -6.886 3.534 -18.665 282 HE1 PHE 41 2HE PHE 41 -10.950 4.451 -21.281 283 HE2 PHE 41 1HE PHE 41 -6.792 5.079 -20.578 284 HZ PHE 41 HZ PHE 41 -8.825 5.538 -21.890 285 H CYS 42 H CYS 42 -7.467 0.686 -16.118 286 HA CYS 42 HA CYS 42 -8.579 -1.727 -14.926 287 HB2 CYS 42 1HB CYS 42 -6.207 -0.023 -14.136 288 HB3 CYS 42 2HB CYS 42 -6.682 -1.518 -13.335 289 H GLN 43 H GLN 43 -9.658 -1.821 -13.007 290 HA GLN 43 HA GLN 43 -11.253 0.273 -12.191 291 HB2 GLN 43 1HB GLN 43 -11.771 -1.986 -11.547 292 HB3 GLN 43 2HB GLN 43 -10.279 -2.118 -10.625 293 HG2 GLN 43 1HG GLN 43 -11.910 -1.802 -9.008 294 HG3 GLN 43 2HG GLN 43 -11.200 -0.201 -9.209 295 HE21 GLN 43 1HE2 GLN 43 -12.383 1.408 -10.264 296 HE22 GLN 43 2HE2 GLN 43 -14.094 1.291 -10.472 297 H ALA 44 H ALA 44 -7.942 -0.323 -11.455 298 HA ALA 44 HA ALA 44 -7.950 1.584 -9.237 299 HB1 ALA 44 3HB ALA 44 -6.667 -0.686 -9.313 300 HB2 ALA 44 1HB ALA 44 -5.477 0.238 -10.230 301 HB3 ALA 44 2HB ALA 44 -5.909 0.734 -8.593 302 H CYS 45 H CYS 45 -6.109 1.054 -12.250 303 HA CYS 45 HA CYS 45 -4.670 3.368 -12.369 304 HB2 CYS 45 1HB CYS 45 -6.051 1.938 -14.648 305 HB3 CYS 45 2HB CYS 45 -4.809 3.169 -14.856 306 H LEU 46 H LEU 46 -8.061 2.930 -13.265 307 HA LEU 46 HA LEU 46 -8.505 5.474 -14.358 308 HB2 LEU 46 1HB LEU 46 -10.169 3.288 -13.285 309 HB3 LEU 46 2HB LEU 46 -10.918 4.883 -13.313 310 HG LEU 46 HG LEU 46 -9.642 3.778 -15.785 311 HD11 LEU 46 1HD1 LEU 46 -12.464 3.212 -14.892 312 HD12 LEU 46 2HD1 LEU 46 -11.154 2.033 -14.928 313 HD13 LEU 46 3HD1 LEU 46 -11.732 2.754 -16.430 314 HD21 LEU 46 3HD2 LEU 46 -11.960 5.135 -16.401 315 HD22 LEU 46 1HD2 LEU 46 -10.323 5.787 -16.472 316 HD23 LEU 46 2HD2 LEU 46 -11.309 6.038 -15.032 317 H THR 47 H THR 47 -8.964 4.275 -11.044 318 HA THR 47 HA THR 47 -9.969 6.627 -9.923 319 HB THR 47 HB THR 47 -8.321 4.439 -8.646 320 HG1 THR 47 1HG THR 47 -10.502 4.002 -9.538 321 HG21 THR 47 3HG2 THR 47 -8.272 6.644 -7.416 322 HG22 THR 47 1HG2 THR 47 -8.938 5.286 -6.510 323 HG23 THR 47 2HG2 THR 47 -10.017 6.485 -7.224 324 H ALA 48 H ALA 48 -6.698 5.670 -10.689 325 HA ALA 48 HA ALA 48 -5.500 7.845 -9.209 326 HB1 ALA 48 3HB ALA 48 -4.163 5.923 -9.290 327 HB2 ALA 48 1HB ALA 48 -4.409 5.718 -11.025 328 HB3 ALA 48 2HB ALA 48 -3.406 7.040 -10.426 329 H ASN 49 H ASN 49 -6.323 7.102 -12.551 330 HA ASN 49 HA ASN 49 -4.990 9.341 -13.691 331 HB2 ASN 49 1HB ASN 49 -5.828 7.169 -14.838 332 HB3 ASN 49 2HB ASN 49 -7.374 8.005 -14.944 333 HD21 ASN 49 1HD2 ASN 49 -4.160 7.777 -16.140 334 HD22 ASN 49 2HD2 ASN 49 -4.320 8.934 -17.414 335 H HIS 50 H HIS 50 -8.292 8.748 -12.587 336 HA HIS 50 HA HIS 50 -9.308 11.265 -13.470 337 HB2 HIS 50 1HB HIS 50 -10.346 9.167 -11.570 338 HB3 HIS 50 2HB HIS 50 -11.216 10.668 -11.871 339 HD2 HIS 50 2HD HIS 50 -10.154 10.179 -15.243 340 HE1 HIS 50 1HE HIS 50 -13.310 7.364 -14.904 341 HE2 HIS 50 2HE HIS 50 -11.765 8.578 -16.480 342 H LYS 51 H LYS 51 -8.145 10.009 -10.371 343 HA LYS 51 HA LYS 51 -8.672 12.426 -8.939 344 HB2 LYS 51 1HB LYS 51 -7.826 11.343 -7.077 345 HB3 LYS 51 2HB LYS 51 -8.378 9.988 -8.053 346 HG2 LYS 51 1HG LYS 51 -6.038 9.756 -8.903 347 HG3 LYS 51 2HG LYS 51 -5.555 10.970 -7.717 348 HD2 LYS 51 1HD LYS 51 -7.123 8.614 -6.788 349 HD3 LYS 51 2HD LYS 51 -5.415 8.392 -7.176 350 HE2 LYS 51 1HE LYS 51 -5.099 10.508 -5.680 351 HE3 LYS 51 2HE LYS 51 -6.680 10.061 -5.043 352 HZ1 LYS 51 3HZ LYS 51 -5.603 8.671 -3.712 353 HZ2 LYS 51 1HZ LYS 51 -4.135 8.898 -4.522 354 HZ3 LYS 51 2HZ LYS 51 -5.230 7.731 -5.068 355 H LYS 52 H LYS 52 -5.995 11.161 -10.773 356 HA LYS 52 HA LYS 52 -3.864 12.631 -9.831 357 HB2 LYS 52 1HB LYS 52 -3.186 11.183 -11.464 358 HB3 LYS 52 2HB LYS 52 -4.603 11.476 -12.463 359 HG2 LYS 52 1HG LYS 52 -2.569 12.273 -13.537 360 HG3 LYS 52 2HG LYS 52 -3.676 13.603 -13.188 361 HD2 LYS 52 1HD LYS 52 -2.373 14.305 -11.325 362 HD3 LYS 52 2HD LYS 52 -1.393 12.838 -11.377 363 HE2 LYS 52 1HE LYS 52 -1.493 14.845 -13.620 364 HE3 LYS 52 2HE LYS 52 -0.312 14.915 -12.313 365 HZ1 LYS 52 3HZ LYS 52 -0.348 13.251 -14.631 366 HZ2 LYS 52 1HZ LYS 52 -0.190 12.337 -13.216 367 HZ3 LYS 52 2HZ LYS 52 0.919 13.568 -13.555 368 H SER 53 H SER 53 -6.008 13.591 -12.519 369 HA SER 53 HA SER 53 -5.150 16.001 -13.229 370 HB2 SER 53 1HB SER 53 -7.894 14.951 -12.790 371 HB3 SER 53 2HB SER 53 -7.741 16.693 -13.023 372 HG SER 53 HG SER 53 -6.244 15.704 -14.865 373 H MET 54 H MET 54 -6.934 15.406 -10.221 374 HA MET 54 HA MET 54 -7.396 17.803 -9.159 375 HB2 MET 54 1HB MET 54 -6.015 15.502 -7.775 376 HB3 MET 54 2HB MET 54 -6.669 16.897 -6.927 377 HG2 MET 54 1HG MET 54 -8.182 14.849 -8.522 378 HG3 MET 54 2HG MET 54 -8.252 15.129 -6.784 379 HE1 MET 54 3HE MET 54 -9.818 15.120 -9.682 380 HE2 MET 54 1HE MET 54 -11.345 15.626 -8.959 381 HE3 MET 54 2HE MET 54 -10.536 16.668 -10.129 382 H LEU 55 H LEU 55 -4.164 16.327 -9.240 383 HA LEU 55 HA LEU 55 -2.767 18.351 -7.936 384 HB2 LEU 55 1HB LEU 55 -2.049 16.244 -9.909 385 HB3 LEU 55 2HB LEU 55 -0.869 17.509 -9.570 386 HG LEU 55 HG LEU 55 -0.492 15.459 -8.256 387 HD11 LEU 55 1HD1 LEU 55 -1.348 17.711 -6.456 388 HD12 LEU 55 2HD1 LEU 55 0.105 17.776 -7.453 389 HD13 LEU 55 3HD1 LEU 55 -0.051 16.542 -6.203 390 HD21 LEU 55 3HD2 LEU 55 -2.202 15.308 -6.253 391 HD22 LEU 55 1HD2 LEU 55 -2.488 14.460 -7.773 392 HD23 LEU 55 2HD2 LEU 55 -3.305 15.989 -7.449 393 H ASP 56 H ASP 56 -3.403 17.939 -11.408 394 HA ASP 56 HA ASP 56 -2.179 20.475 -12.047 395 HB2 ASP 56 1HB ASP 56 -3.649 18.413 -13.687 396 HB3 ASP 56 2HB ASP 56 -3.098 19.943 -14.365 397 H LYS 57 H LYS 57 -5.372 19.305 -13.062 398 HA LYS 57 HA LYS 57 -6.481 21.922 -12.278 399 HB2 LYS 57 1HB LYS 57 -8.146 21.521 -14.144 400 HB3 LYS 57 2HB LYS 57 -6.495 21.859 -14.648 401 HG2 LYS 57 1HG LYS 57 -6.123 19.450 -14.973 402 HG3 LYS 57 2HG LYS 57 -7.804 19.149 -14.527 403 HD2 LYS 57 1HD LYS 57 -7.884 19.178 -16.847 404 HD3 LYS 57 2HD LYS 57 -8.356 20.824 -16.421 405 HE2 LYS 57 1HE LYS 57 -6.804 21.229 -18.063 406 HE3 LYS 57 2HE LYS 57 -5.788 21.289 -16.624 407 HZ1 LYS 57 3HZ LYS 57 -4.551 19.727 -17.563 408 HZ2 LYS 57 1HZ LYS 57 -5.647 19.522 -18.836 409 HZ3 LYS 57 2HZ LYS 57 -5.841 18.644 -17.404 410 H GLY 58 H GLY 58 -7.300 18.499 -12.817 411 HA2 GLY 58 1HA GLY 58 -8.350 17.400 -10.836 412 HA3 GLY 58 2HA GLY 58 -9.408 18.801 -10.767 413 H GLU 59 H GLU 59 -10.415 19.212 -13.116 414 HA GLU 59 HA GLU 59 -12.407 17.429 -13.532 415 HB2 GLU 59 1HB GLU 59 -11.032 18.962 -15.745 416 HB3 GLU 59 2HB GLU 59 -12.677 18.343 -15.774 417 HG2 GLU 59 1HG GLU 59 -13.177 19.828 -13.825 418 HG3 GLU 59 2HG GLU 59 -11.581 20.543 -14.045 419 H SER 60 H SER 60 -12.015 15.277 -13.534 420 HA SER 60 HA SER 60 -9.866 14.028 -14.881 421 HB2 SER 60 1HB SER 60 -11.100 11.919 -14.430 422 HB3 SER 60 2HB SER 60 -10.967 12.942 -12.999 423 HG SER 60 HG SER 60 -13.220 12.547 -14.667 424 H SER 61 H SER 61 -9.883 12.713 -16.750 425 HA SER 61 HA SER 61 -12.158 12.636 -18.492 426 HB2 SER 61 1HB SER 61 -10.937 13.847 -20.371 427 HB3 SER 61 2HB SER 61 -11.559 14.865 -19.072 428 HG SER 61 HG SER 61 -9.372 15.348 -19.689 429 H CYS 62 H CYS 62 -11.690 11.471 -20.511 430 HA CYS 62 HA CYS 62 -10.251 9.135 -20.085 431 HB2 CYS 62 1HB CYS 62 -12.070 9.555 -21.808 432 HB3 CYS 62 2HB CYS 62 -10.826 10.295 -22.812 433 HA PRO 63 HA PRO 63 -6.113 10.738 -20.629 434 HB2 PRO 63 1HB PRO 63 -4.860 8.394 -20.073 435 HB3 PRO 63 2HB PRO 63 -5.531 9.445 -18.820 436 HG2 PRO 63 1HG PRO 63 -6.698 6.975 -20.044 437 HG3 PRO 63 2HG PRO 63 -6.664 7.472 -18.342 438 HD2 PRO 63 1HD PRO 63 -8.854 7.778 -19.906 439 HD3 PRO 63 2HD PRO 63 -8.452 8.905 -18.595 440 H VAL 64 H VAL 64 -7.904 8.857 -22.626 441 HA VAL 64 HA VAL 64 -5.645 8.266 -24.424 442 HB VAL 64 HB VAL 64 -8.409 7.049 -24.356 443 HG11 VAL 64 1HG1 VAL 64 -7.391 7.373 -26.649 444 HG12 VAL 64 2HG1 VAL 64 -6.131 6.244 -26.148 445 HG13 VAL 64 3HG1 VAL 64 -7.813 5.717 -26.215 446 HG21 VAL 64 3HG2 VAL 64 -5.686 5.937 -23.692 447 HG22 VAL 64 1HG2 VAL 64 -7.030 6.199 -22.581 448 HG23 VAL 64 2HG2 VAL 64 -7.151 4.967 -23.837 449 H CYS 65 H CYS 65 -9.077 9.238 -24.548 450 HA CYS 65 HA CYS 65 -8.433 10.847 -26.932 451 HB2 CYS 65 1HB CYS 65 -10.766 10.576 -27.616 452 HB3 CYS 65 2HB CYS 65 -9.997 9.007 -27.399 453 H ARG 66 H ARG 66 -9.289 10.982 -23.695 454 HA ARG 66 HA ARG 66 -10.079 12.609 -22.308 455 HB2 ARG 66 1HB ARG 66 -9.037 14.444 -24.473 456 HB3 ARG 66 2HB ARG 66 -9.320 14.870 -22.791 457 HG2 ARG 66 1HG ARG 66 -7.454 12.635 -23.393 458 HG3 ARG 66 2HG ARG 66 -6.916 14.293 -23.671 459 HD2 ARG 66 1HD ARG 66 -7.660 14.798 -21.312 460 HD3 ARG 66 2HD ARG 66 -7.861 13.060 -21.093 461 HE ARG 66 HE ARG 66 -5.291 13.489 -22.068 462 HH11 ARG 66 1HH1 ARG 66 -7.166 14.239 -19.232 463 HH12 ARG 66 2HH1 ARG 66 -5.796 14.258 -18.172 464 HH21 ARG 66 1HH2 ARG 66 -3.479 13.511 -20.682 465 HH22 ARG 66 2HH2 ARG 66 -3.699 13.845 -18.997 466 H ILE 67 H ILE 67 -12.032 11.525 -24.007 467 HA ILE 67 HA ILE 67 -13.589 13.482 -25.319 468 HB ILE 67 HB ILE 67 -13.765 10.974 -25.612 469 HG12 ILE 67 1HG1 ILE 67 -16.432 12.258 -25.044 470 HG13 ILE 67 2HG1 ILE 67 -15.430 12.760 -26.401 471 HG21 ILE 67 1HG2 ILE 67 -14.368 9.673 -23.919 472 HG22 ILE 67 2HG2 ILE 67 -14.373 11.091 -22.872 473 HG23 ILE 67 3HG2 ILE 67 -15.854 10.595 -23.691 474 HD11 ILE 67 3HD1 ILE 67 -15.714 10.762 -27.516 475 HD12 ILE 67 1HD1 ILE 67 -16.146 9.885 -26.048 476 HD13 ILE 67 2HD1 ILE 67 -17.292 11.014 -26.770 477 H SER 68 H SER 68 -15.836 14.070 -24.651 478 HA SER 68 HA SER 68 -15.757 15.181 -21.982 479 HB2 SER 68 1HB SER 68 -17.464 15.550 -24.402 480 HB3 SER 68 2HB SER 68 -18.138 15.996 -22.835 481 HG SER 68 HG SER 68 -16.807 17.636 -22.721 482 H TYR 69 H TYR 69 -16.290 13.899 -20.338 483 HA TYR 69 HA TYR 69 -18.906 12.794 -20.138 484 HB2 TYR 69 1HB TYR 69 -18.504 10.501 -20.234 485 HB3 TYR 69 2HB TYR 69 -17.526 11.114 -21.563 486 HD1 TYR 69 2HD TYR 69 -15.155 12.134 -20.168 487 HD2 TYR 69 1HD TYR 69 -17.410 8.591 -19.484 488 HE1 TYR 69 2HE TYR 69 -13.164 11.060 -19.202 489 HE2 TYR 69 1HE TYR 69 -15.425 7.507 -18.516 490 HH TYR 69 HH TYR 69 -12.967 7.733 -18.625 491 H GLN 70 H GLN 70 -19.157 11.543 -18.052 492 HA GLN 70 HA GLN 70 -17.228 12.494 -16.040 493 HB2 GLN 70 1HB GLN 70 -20.235 12.560 -15.985 494 HB3 GLN 70 2HB GLN 70 -19.290 12.598 -14.502 495 HG2 GLN 70 1HG GLN 70 -18.136 14.616 -15.333 496 HG3 GLN 70 2HG GLN 70 -19.187 14.597 -16.748 497 HE21 GLN 70 1HE2 GLN 70 -20.206 16.507 -16.361 498 HE22 GLN 70 2HE2 GLN 70 -21.261 16.776 -15.020 499 HA PRO 71 HA PRO 71 -16.971 8.249 -14.867 500 HB2 PRO 71 1HB PRO 71 -15.815 8.596 -12.434 501 HB3 PRO 71 2HB PRO 71 -14.933 8.791 -13.954 502 HG2 PRO 71 1HG PRO 71 -16.137 10.881 -12.180 503 HG3 PRO 71 2HG PRO 71 -14.564 10.879 -12.999 504 HD2 PRO 71 1HD PRO 71 -16.703 12.236 -13.955 505 HD3 PRO 71 2HD PRO 71 -15.474 11.521 -15.017 506 H GLU 72 H GLU 72 -18.982 10.536 -13.441 507 HA GLU 72 HA GLU 72 -19.898 9.001 -11.205 508 HB2 GLU 72 1HB GLU 72 -20.881 11.472 -12.602 509 HB3 GLU 72 2HB GLU 72 -21.858 10.691 -11.367 510 HG2 GLU 72 1HG GLU 72 -20.383 11.208 -9.677 511 HG3 GLU 72 2HG GLU 72 -19.019 11.383 -10.779 512 H ASN 73 H ASN 73 -21.061 9.580 -14.498 513 HA ASN 73 HA ASN 73 -23.275 7.726 -14.089 514 HB2 ASN 73 1HB ASN 73 -24.171 8.525 -16.124 515 HB3 ASN 73 2HB ASN 73 -23.487 9.947 -15.342 516 HD21 ASN 73 1HD2 ASN 73 -21.276 10.542 -16.010 517 HD22 ASN 73 2HD2 ASN 73 -20.842 10.320 -17.667 518 H ILE 74 H ILE 74 -20.863 6.455 -13.862 519 HA ILE 74 HA ILE 74 -20.912 4.717 -16.220 520 HB ILE 74 HB ILE 74 -18.359 5.707 -14.946 521 HG12 ILE 74 1HG1 ILE 74 -19.434 6.239 -17.722 522 HG13 ILE 74 2HG1 ILE 74 -19.542 7.379 -16.385 523 HG21 ILE 74 1HG2 ILE 74 -18.007 3.484 -15.656 524 HG22 ILE 74 2HG2 ILE 74 -18.909 3.738 -17.149 525 HG23 ILE 74 3HG2 ILE 74 -17.338 4.507 -16.927 526 HD11 ILE 74 3HD1 ILE 74 -17.295 6.727 -18.126 527 HD12 ILE 74 1HD1 ILE 74 -17.632 8.188 -17.199 528 HD13 ILE 74 2HD1 ILE 74 -16.882 6.799 -16.413 529 H ARG 75 H ARG 75 -20.654 2.571 -15.792 530 HA ARG 75 HA ARG 75 -19.646 1.655 -13.249 531 HB2 ARG 75 1HB ARG 75 -21.707 0.440 -12.634 532 HB3 ARG 75 2HB ARG 75 -21.927 2.185 -12.613 533 HG2 ARG 75 1HG ARG 75 -22.623 0.734 -15.105 534 HG3 ARG 75 2HG ARG 75 -23.693 0.557 -13.712 535 HD2 ARG 75 1HD ARG 75 -22.790 3.242 -14.714 536 HD3 ARG 75 2HD ARG 75 -24.218 2.432 -15.355 537 HE ARG 75 HE ARG 75 -23.930 3.664 -12.753 538 HH11 ARG 75 1HH1 ARG 75 -25.767 1.500 -14.768 539 HH12 ARG 75 2HH1 ARG 75 -27.211 1.635 -13.821 540 HH21 ARG 75 1HH2 ARG 75 -25.825 3.849 -11.497 541 HH22 ARG 75 2HH2 ARG 75 -27.243 2.972 -11.961 542 HA PRO 76 HA PRO 76 -18.535 -1.842 -15.660 543 HB2 PRO 76 1HB PRO 76 -18.446 -3.772 -13.753 544 HB3 PRO 76 2HB PRO 76 -17.231 -2.495 -13.885 545 HG2 PRO 76 1HG PRO 76 -19.591 -2.684 -12.052 546 HG3 PRO 76 2HG PRO 76 -17.934 -2.162 -11.693 547 HD2 PRO 76 1HD PRO 76 -19.959 -0.410 -12.094 548 HD3 PRO 76 2HD PRO 76 -18.281 -0.049 -12.547 549 H ASN 77 H ASN 77 -19.328 -3.758 -16.591 550 HA ASN 77 HA ASN 77 -22.021 -3.965 -17.050 551 HB2 ASN 77 1HB ASN 77 -21.412 -6.479 -17.550 552 HB3 ASN 77 2HB ASN 77 -20.762 -5.186 -18.555 553 HD21 ASN 77 1HD2 ASN 77 -18.604 -4.785 -18.557 554 HD22 ASN 77 2HD2 ASN 77 -17.448 -5.758 -17.719 555 H ARG 78 H ARG 78 -20.272 -6.377 -15.089 556 HA ARG 78 HA ARG 78 -22.523 -6.405 -13.209 557 HB2 ARG 78 1HB ARG 78 -22.881 -8.243 -14.805 558 HB3 ARG 78 2HB ARG 78 -21.279 -8.871 -14.440 559 HG2 ARG 78 1HG ARG 78 -22.726 -10.203 -13.193 560 HG3 ARG 78 2HG ARG 78 -22.089 -9.044 -12.025 561 HD2 ARG 78 1HD ARG 78 -24.421 -9.188 -11.633 562 HD3 ARG 78 2HD ARG 78 -24.142 -7.653 -12.454 563 HE ARG 78 HE ARG 78 -25.289 -8.446 -14.294 564 HH11 ARG 78 1HH1 ARG 78 -24.761 -11.013 -12.002 565 HH12 ARG 78 2HH1 ARG 78 -25.850 -12.111 -12.783 566 HH21 ARG 78 1HH2 ARG 78 -26.725 -9.883 -15.332 567 HH22 ARG 78 2HH2 ARG 78 -26.965 -11.468 -14.678 568 H HIS 79 H HIS 79 -21.584 -5.731 -11.386 569 HA HIS 79 HA HIS 79 -19.725 -7.337 -10.010 570 HB2 HIS 79 1HB HIS 79 -18.168 -6.327 -11.672 571 HB3 HIS 79 2HB HIS 79 -18.581 -4.734 -11.043 572 HD2 HIS 79 2HD HIS 79 -15.894 -7.251 -10.568 573 HE1 HIS 79 1HE HIS 79 -16.136 -5.211 -6.856 574 HE2 HIS 79 2HE HIS 79 -14.734 -6.706 -8.321 575 H VAL 80 H VAL 80 -20.664 -7.135 -8.085 576 HA VAL 80 HA VAL 80 -21.245 -4.418 -7.096 577 HB VAL 80 HB VAL 80 -22.925 -5.617 -5.577 578 HG11 VAL 80 1HG1 VAL 80 -24.078 -4.342 -7.032 579 HG12 VAL 80 2HG1 VAL 80 -23.157 -4.915 -8.425 580 HG13 VAL 80 3HG1 VAL 80 -24.474 -5.892 -7.774 581 HG21 VAL 80 3HG2 VAL 80 -23.815 -7.718 -6.357 582 HG22 VAL 80 1HG2 VAL 80 -22.693 -7.728 -7.718 583 HG23 VAL 80 2HG2 VAL 80 -22.084 -7.896 -6.071 584 H ALA 81 H ALA 81 -18.739 -5.211 -6.696 585 HA ALA 81 HA ALA 81 -17.133 -5.798 -5.171 586 HB1 ALA 81 3HB ALA 81 -18.873 -3.866 -4.107 587 HB2 ALA 81 1HB ALA 81 -18.507 -4.984 -2.793 588 HB3 ALA 81 2HB ALA 81 -17.196 -4.178 -3.657 589 H ASN 82 H ASN 82 -18.747 -7.986 -5.798 590 HA ASN 82 HA ASN 82 -19.137 -9.329 -3.211 591 HB2 ASN 82 1HB ASN 82 -21.131 -9.382 -4.556 592 HB3 ASN 82 2HB ASN 82 -20.231 -9.950 -5.960 593 HD21 ASN 82 1HD2 ASN 82 -21.140 -10.824 -2.664 594 HD22 ASN 82 2HD2 ASN 82 -21.186 -12.529 -2.940 595 H ILE 83 H ILE 83 -16.529 -9.023 -3.958 596 HA ILE 83 HA ILE 83 -14.591 -10.107 -4.531 597 HB ILE 83 HB ILE 83 -16.040 -12.496 -3.392 598 HG12 ILE 83 1HG1 ILE 83 -14.651 -11.521 -1.301 599 HG13 ILE 83 2HG1 ILE 83 -15.017 -10.012 -2.130 600 HG21 ILE 83 1HG2 ILE 83 -13.189 -11.811 -3.914 601 HG22 ILE 83 2HG2 ILE 83 -13.583 -12.822 -2.524 602 HG23 ILE 83 3HG2 ILE 83 -14.045 -13.336 -4.146 603 HD11 ILE 83 3HD1 ILE 83 -17.432 -10.776 -2.136 604 HD12 ILE 83 1HD1 ILE 83 -16.927 -12.024 -0.997 605 HD13 ILE 83 2HD1 ILE 83 -16.742 -10.321 -0.578 606 H VAL 84 H VAL 84 -16.783 -10.160 -6.564 607 HA VAL 84 HA VAL 84 -15.634 -12.286 -8.217 608 HB VAL 84 HB VAL 84 -17.790 -13.001 -9.051 609 HG11 VAL 84 1HG1 VAL 84 -16.788 -13.550 -6.530 610 HG12 VAL 84 2HG1 VAL 84 -18.505 -13.251 -6.252 611 HG13 VAL 84 3HG1 VAL 84 -17.999 -14.488 -7.404 612 HG21 VAL 84 3HG2 VAL 84 -19.108 -11.040 -8.937 613 HG22 VAL 84 1HG2 VAL 84 -19.868 -12.201 -7.849 614 HG23 VAL 84 2HG2 VAL 84 -18.877 -10.896 -7.195 615 H GLU 85 H GLU 85 -15.897 -11.950 -10.498 616 HA GLU 85 HA GLU 85 -15.819 -9.154 -11.197 617 HB2 GLU 85 1HB GLU 85 -14.201 -10.532 -12.266 618 HB3 GLU 85 2HB GLU 85 -15.420 -11.694 -12.769 619 HG2 GLU 85 1HG GLU 85 -16.401 -9.715 -14.115 620 HG3 GLU 85 2HG GLU 85 -14.806 -8.997 -13.892 Start of MODEL 12 1 H1 GLY 1 H GLY 1 34.059 -35.992 -39.891 2 HA2 GLY 1 1HA GLY 1 32.687 -34.779 -38.384 3 HA3 GLY 1 2HA GLY 1 34.189 -35.000 -37.498 4 H SER 2 H SER 2 31.949 -32.770 -38.502 5 HA SER 2 HA SER 2 33.879 -30.552 -38.419 6 HB2 SER 2 1HB SER 2 31.176 -30.869 -39.677 7 HB3 SER 2 2HB SER 2 31.750 -29.258 -39.243 8 HG SER 2 HG SER 2 32.339 -30.624 -41.400 9 H SER 3 H SER 3 33.869 -29.149 -36.773 10 HA SER 3 HA SER 3 32.157 -29.674 -34.514 11 HB2 SER 3 1HB SER 3 33.501 -27.993 -33.360 12 HB3 SER 3 2HB SER 3 34.553 -29.115 -34.223 13 HG SER 3 HG SER 3 35.214 -26.984 -34.587 14 H GLY 4 H GLY 4 30.852 -28.066 -33.454 15 HA2 GLY 4 1HA GLY 4 30.224 -25.543 -34.395 16 HA3 GLY 4 2HA GLY 4 29.179 -26.651 -35.272 17 H SER 5 H SER 5 29.391 -24.726 -32.600 18 HA SER 5 HA SER 5 27.542 -26.372 -31.018 19 HB2 SER 5 1HB SER 5 28.054 -24.851 -29.155 20 HB3 SER 5 2HB SER 5 29.529 -25.550 -29.823 21 HG SER 5 HG SER 5 28.630 -22.929 -29.848 22 H SER 6 H SER 6 25.480 -25.766 -30.665 23 HA SER 6 HA SER 6 24.567 -23.075 -31.083 24 HB2 SER 6 1HB SER 6 23.992 -25.222 -33.107 25 HB3 SER 6 2HB SER 6 22.837 -23.917 -32.832 26 HG SER 6 HG SER 6 24.554 -22.446 -33.298 27 H GLY 7 H GLY 7 22.644 -22.681 -30.067 28 HA2 GLY 7 1HA GLY 7 21.778 -24.425 -28.068 29 HA3 GLY 7 2HA GLY 7 20.870 -23.040 -28.656 30 H MET 8 H MET 8 19.137 -24.687 -28.015 31 HA MET 8 HA MET 8 18.655 -26.683 -30.091 32 HB2 MET 8 1HB MET 8 17.276 -26.102 -27.469 33 HB3 MET 8 2HB MET 8 16.706 -27.309 -28.614 34 HG2 MET 8 1HG MET 8 19.520 -27.412 -27.635 35 HG3 MET 8 2HG MET 8 18.210 -28.002 -26.614 36 HE1 MET 8 3HE MET 8 20.132 -31.026 -27.934 37 HE2 MET 8 1HE MET 8 19.942 -29.809 -26.671 38 HE3 MET 8 2HE MET 8 18.724 -31.069 -26.871 39 H ALA 9 H ALA 9 16.627 -26.795 -31.208 40 HA ALA 9 HA ALA 9 15.429 -24.137 -31.617 41 HB1 ALA 9 3HB ALA 9 15.842 -24.503 -33.767 42 HB2 ALA 9 1HB ALA 9 16.362 -26.156 -33.437 43 HB3 ALA 9 2HB ALA 9 14.657 -25.808 -33.725 44 H SER 10 H SER 10 13.991 -24.439 -29.817 45 HA SER 10 HA SER 10 12.041 -26.578 -29.960 46 HB2 SER 10 1HB SER 10 13.093 -25.452 -27.825 47 HB3 SER 10 2HB SER 10 11.799 -24.277 -28.058 48 HG SER 10 HG SER 10 10.372 -26.180 -28.125 49 H GLY 11 H GLY 11 9.931 -26.399 -30.558 50 HA2 GLY 11 1HA GLY 11 9.222 -24.195 -32.244 51 HA3 GLY 11 2HA GLY 11 8.201 -25.567 -31.838 52 H ILE 12 H ILE 12 9.575 -22.656 -30.309 53 HA ILE 12 HA ILE 12 7.249 -22.481 -28.561 54 HB ILE 12 HB ILE 12 8.437 -20.622 -27.479 55 HG12 ILE 12 1HG1 ILE 12 10.818 -21.217 -29.216 56 HG13 ILE 12 2HG1 ILE 12 9.627 -20.018 -29.706 57 HG21 ILE 12 1HG2 ILE 12 10.588 -22.079 -26.938 58 HG22 ILE 12 2HG2 ILE 12 8.982 -22.531 -26.368 59 HG23 ILE 12 3HG2 ILE 12 9.659 -23.305 -27.800 60 HD11 ILE 12 3HD1 ILE 12 11.075 -18.660 -28.627 61 HD12 ILE 12 1HD1 ILE 12 10.083 -19.133 -27.248 62 HD13 ILE 12 2HD1 ILE 12 11.630 -19.930 -27.537 63 H LEU 13 H LEU 13 5.921 -20.630 -28.432 64 HA LEU 13 HA LEU 13 5.784 -19.115 -30.949 65 HB2 LEU 13 1HB LEU 13 3.758 -20.133 -29.038 66 HB3 LEU 13 2HB LEU 13 3.414 -18.604 -29.844 67 HG LEU 13 HG LEU 13 2.395 -20.562 -30.960 68 HD11 LEU 13 1HD1 LEU 13 4.073 -18.541 -32.165 69 HD12 LEU 13 2HD1 LEU 13 2.492 -19.140 -32.664 70 HD13 LEU 13 3HD1 LEU 13 3.954 -19.979 -33.179 71 HD21 LEU 13 3HD2 LEU 13 4.204 -22.164 -30.427 72 HD22 LEU 13 1HD2 LEU 13 5.237 -21.342 -31.596 73 HD23 LEU 13 2HD2 LEU 13 3.768 -22.155 -32.136 74 H VAL 14 H VAL 14 4.830 -16.877 -30.707 75 HA VAL 14 HA VAL 14 5.918 -15.573 -28.296 76 HB VAL 14 HB VAL 14 5.894 -14.519 -31.127 77 HG11 VAL 14 1HG1 VAL 14 6.784 -13.201 -28.565 78 HG12 VAL 14 2HG1 VAL 14 7.082 -12.569 -30.186 79 HG13 VAL 14 3HG1 VAL 14 5.430 -12.717 -29.586 80 HG21 VAL 14 3HG2 VAL 14 7.642 -16.258 -30.321 81 HG22 VAL 14 1HG2 VAL 14 8.191 -14.817 -31.176 82 HG23 VAL 14 2HG2 VAL 14 8.322 -14.903 -29.420 83 H ASN 15 H ASN 15 4.192 -15.073 -27.088 84 HA ASN 15 HA ASN 15 1.590 -14.662 -27.912 85 HB2 ASN 15 1HB ASN 15 2.002 -14.976 -25.591 86 HB3 ASN 15 2HB ASN 15 3.093 -13.595 -25.523 87 HD21 ASN 15 1HD2 ASN 15 2.193 -12.115 -24.288 88 HD22 ASN 15 2HD2 ASN 15 0.555 -11.575 -24.380 89 H VAL 16 H VAL 16 0.328 -12.847 -28.354 90 HA VAL 16 HA VAL 16 1.840 -10.427 -29.101 91 HB VAL 16 HB VAL 16 0.382 -10.061 -30.952 92 HG11 VAL 16 1HG1 VAL 16 1.877 -12.511 -30.677 93 HG12 VAL 16 2HG1 VAL 16 0.549 -12.705 -31.823 94 HG13 VAL 16 3HG1 VAL 16 1.742 -11.427 -32.061 95 HG21 VAL 16 3HG2 VAL 16 -1.550 -11.351 -31.457 96 HG22 VAL 16 1HG2 VAL 16 -1.165 -12.534 -30.207 97 HG23 VAL 16 2HG2 VAL 16 -1.667 -10.905 -29.755 98 H LYS 17 H LYS 17 0.638 -8.413 -29.017 99 HA LYS 17 HA LYS 17 -0.390 -7.640 -26.707 100 HB2 LYS 17 1HB LYS 17 -1.668 -6.812 -29.318 101 HB3 LYS 17 2HB LYS 17 -1.655 -5.892 -27.819 102 HG2 LYS 17 1HG LYS 17 0.065 -4.838 -28.806 103 HG3 LYS 17 2HG LYS 17 0.988 -6.209 -28.185 104 HD2 LYS 17 1HD LYS 17 0.272 -7.306 -30.465 105 HD3 LYS 17 2HD LYS 17 0.084 -5.624 -30.967 106 HE2 LYS 17 1HE LYS 17 2.309 -6.453 -31.513 107 HE3 LYS 17 2HE LYS 17 2.393 -5.168 -30.309 108 HZ1 LYS 17 3HZ LYS 17 2.190 -7.527 -28.892 109 HZ2 LYS 17 1HZ LYS 17 3.565 -6.555 -29.063 110 HZ3 LYS 17 2HZ LYS 17 3.303 -7.845 -30.126 111 H GLU 18 H GLU 18 -1.858 -8.452 -25.375 112 HA GLU 18 HA GLU 18 -3.737 -10.381 -25.943 113 HB2 GLU 18 1HB GLU 18 -3.929 -8.246 -23.811 114 HB3 GLU 18 2HB GLU 18 -4.828 -9.757 -23.831 115 HG2 GLU 18 1HG GLU 18 -1.827 -9.617 -23.766 116 HG3 GLU 18 2HG GLU 18 -2.833 -9.708 -22.322 117 H GLU 19 H GLU 19 -6.015 -10.352 -26.199 118 HA GLU 19 HA GLU 19 -7.047 -8.789 -28.168 119 HB2 GLU 19 1HB GLU 19 -9.289 -9.417 -27.367 120 HB3 GLU 19 2HB GLU 19 -8.181 -10.782 -27.359 121 HG2 GLU 19 1HG GLU 19 -7.932 -10.668 -24.996 122 HG3 GLU 19 2HG GLU 19 -8.804 -9.138 -24.922 123 H VAL 20 H VAL 20 -7.005 -8.078 -24.718 124 HA VAL 20 HA VAL 20 -7.744 -5.306 -25.348 125 HB VAL 20 HB VAL 20 -8.852 -6.878 -23.017 126 HG11 VAL 20 1HG1 VAL 20 -9.917 -4.942 -22.287 127 HG12 VAL 20 2HG1 VAL 20 -8.313 -4.371 -22.749 128 HG13 VAL 20 3HG1 VAL 20 -9.685 -4.116 -23.828 129 HG21 VAL 20 3HG2 VAL 20 -10.508 -5.654 -25.183 130 HG22 VAL 20 1HG2 VAL 20 -9.758 -7.230 -25.434 131 HG23 VAL 20 2HG2 VAL 20 -10.888 -6.994 -24.101 132 H THR 21 H THR 21 -6.356 -3.885 -24.531 133 HA THR 21 HA THR 21 -4.750 -4.664 -22.188 134 HB THR 21 HB THR 21 -3.660 -2.980 -24.439 135 HG1 THR 21 1HG THR 21 -4.079 -5.663 -24.378 136 HG21 THR 21 3HG2 THR 21 -2.405 -2.660 -22.468 137 HG22 THR 21 1HG2 THR 21 -1.490 -3.837 -23.409 138 HG23 THR 21 2HG2 THR 21 -2.476 -4.370 -22.048 139 H CYS 22 H CYS 22 -4.046 -2.947 -20.835 140 HA CYS 22 HA CYS 22 -5.933 -0.762 -20.722 141 HB2 CYS 22 1HB CYS 22 -5.278 -1.931 -18.667 142 HB3 CYS 22 2HB CYS 22 -3.603 -1.450 -18.919 143 HA PRO 23 HA PRO 23 -3.293 1.989 -23.008 144 HB2 PRO 23 1HB PRO 23 -4.834 4.201 -22.689 145 HB3 PRO 23 2HB PRO 23 -5.232 2.910 -23.829 146 HG2 PRO 23 1HG PRO 23 -6.312 3.411 -21.082 147 HG3 PRO 23 2HG PRO 23 -7.178 2.941 -22.556 148 HD2 PRO 23 1HD PRO 23 -6.522 1.162 -20.623 149 HD3 PRO 23 2HD PRO 23 -6.597 0.720 -22.340 150 H ILE 24 H ILE 24 -3.744 1.840 -19.730 151 HA ILE 24 HA ILE 24 -2.191 4.279 -19.199 152 HB ILE 24 HB ILE 24 -3.918 2.574 -17.421 153 HG12 ILE 24 1HG1 ILE 24 -4.001 5.558 -17.624 154 HG13 ILE 24 2HG1 ILE 24 -4.692 4.596 -18.926 155 HG21 ILE 24 1HG2 ILE 24 -1.858 3.040 -16.206 156 HG22 ILE 24 2HG2 ILE 24 -2.024 4.758 -16.565 157 HG23 ILE 24 3HG2 ILE 24 -3.206 3.955 -15.531 158 HD11 ILE 24 3HD1 ILE 24 -5.570 4.863 -16.094 159 HD12 ILE 24 1HD1 ILE 24 -6.513 4.954 -17.581 160 HD13 ILE 24 2HD1 ILE 24 -5.946 3.392 -16.991 161 H CYS 25 H CYS 25 -2.407 1.053 -17.692 162 HA CYS 25 HA CYS 25 0.411 1.131 -17.051 163 HB2 CYS 25 1HB CYS 25 -0.025 -1.046 -15.955 164 HB3 CYS 25 2HB CYS 25 -1.128 0.213 -15.409 165 H LEU 26 H LEU 26 -1.388 0.221 -19.710 166 HA LEU 26 HA LEU 26 -0.939 -0.945 -21.609 167 HB2 LEU 26 1HB LEU 26 1.898 -0.809 -20.599 168 HB3 LEU 26 2HB LEU 26 1.407 -1.214 -22.243 169 HG LEU 26 HG LEU 26 1.274 1.452 -20.859 170 HD11 LEU 26 1HD1 LEU 26 2.293 1.689 -23.426 171 HD12 LEU 26 2HD1 LEU 26 2.986 0.186 -22.817 172 HD13 LEU 26 3HD1 LEU 26 3.212 1.688 -21.920 173 HD21 LEU 26 3HD2 LEU 26 0.235 2.190 -23.080 174 HD22 LEU 26 1HD2 LEU 26 -0.813 1.391 -21.908 175 HD23 LEU 26 2HD2 LEU 26 -0.195 0.492 -23.294 176 H GLU 27 H GLU 27 -1.495 -2.370 -19.080 177 HA GLU 27 HA GLU 27 -0.135 -4.921 -19.624 178 HB2 GLU 27 1HB GLU 27 -1.625 -4.058 -17.140 179 HB3 GLU 27 2HB GLU 27 -0.779 -5.583 -17.356 180 HG2 GLU 27 1HG GLU 27 0.757 -3.076 -17.743 181 HG3 GLU 27 2HG GLU 27 0.314 -3.536 -16.100 182 H LEU 28 H LEU 28 -1.503 -6.888 -19.208 183 HA LEU 28 HA LEU 28 -3.673 -6.963 -20.945 184 HB2 LEU 28 1HB LEU 28 -2.586 -8.990 -20.480 185 HB3 LEU 28 2HB LEU 28 -2.775 -8.787 -18.739 186 HG LEU 28 HG LEU 28 -5.134 -9.284 -18.895 187 HD11 LEU 28 1HD1 LEU 28 -4.858 -9.874 -21.814 188 HD12 LEU 28 2HD1 LEU 28 -5.255 -8.247 -21.262 189 HD13 LEU 28 3HD1 LEU 28 -6.316 -9.597 -20.859 190 HD21 LEU 28 3HD2 LEU 28 -5.010 -11.606 -19.559 191 HD22 LEU 28 1HD2 LEU 28 -3.533 -11.149 -18.711 192 HD23 LEU 28 2HD2 LEU 28 -3.530 -11.297 -20.469 193 H LEU 29 H LEU 29 -5.745 -6.412 -20.769 194 HA LEU 29 HA LEU 29 -6.741 -5.554 -18.157 195 HB2 LEU 29 1HB LEU 29 -7.432 -4.953 -20.983 196 HB3 LEU 29 2HB LEU 29 -8.713 -4.832 -19.779 197 HG LEU 29 HG LEU 29 -6.137 -3.265 -19.853 198 HD11 LEU 29 1HD1 LEU 29 -7.908 -1.381 -19.883 199 HD12 LEU 29 2HD1 LEU 29 -9.004 -2.646 -20.440 200 HD13 LEU 29 3HD1 LEU 29 -7.560 -2.256 -21.375 201 HD21 LEU 29 3HD2 LEU 29 -6.496 -3.590 -17.574 202 HD22 LEU 29 1HD2 LEU 29 -8.251 -3.531 -17.744 203 HD23 LEU 29 2HD2 LEU 29 -7.299 -2.055 -17.905 204 H THR 30 H THR 30 -7.215 -7.541 -17.207 205 HA THR 30 HA THR 30 -8.909 -9.457 -18.526 206 HB THR 30 HB THR 30 -7.220 -10.218 -16.924 207 HG1 THR 30 1HG THR 30 -9.937 -10.745 -16.604 208 HG21 THR 30 3HG2 THR 30 -7.521 -8.173 -15.423 209 HG22 THR 30 1HG2 THR 30 -7.273 -9.724 -14.621 210 HG23 THR 30 2HG2 THR 30 -8.893 -9.032 -14.723 211 H GLN 31 H GLN 31 -9.280 -7.312 -15.703 212 HA GLN 31 HA GLN 31 -12.198 -7.519 -16.053 213 HB2 GLN 31 1HB GLN 31 -10.512 -7.260 -13.581 214 HB3 GLN 31 2HB GLN 31 -12.197 -6.760 -13.577 215 HG2 GLN 31 1HG GLN 31 -12.831 -9.035 -14.304 216 HG3 GLN 31 2HG GLN 31 -11.140 -9.513 -14.169 217 HE21 GLN 31 1HE2 GLN 31 -10.173 -9.571 -12.107 218 HE22 GLN 31 2HE2 GLN 31 -11.128 -9.709 -10.675 219 HA PRO 32 HA PRO 32 -10.676 -3.097 -16.713 220 HB2 PRO 32 1HB PRO 32 -11.502 -2.858 -19.288 221 HB3 PRO 32 2HB PRO 32 -9.897 -3.451 -18.845 222 HG2 PRO 32 1HG PRO 32 -12.339 -4.998 -19.621 223 HG3 PRO 32 2HG PRO 32 -10.655 -5.245 -20.116 224 HD2 PRO 32 1HD PRO 32 -11.841 -6.737 -18.194 225 HD3 PRO 32 2HD PRO 32 -10.110 -6.344 -18.165 226 H LEU 33 H LEU 33 -12.049 -1.229 -17.243 227 HA LEU 33 HA LEU 33 -14.864 -1.802 -16.625 228 HB2 LEU 33 1HB LEU 33 -13.320 0.773 -16.350 229 HB3 LEU 33 2HB LEU 33 -14.995 0.515 -15.866 230 HG LEU 33 HG LEU 33 -12.567 -0.786 -14.633 231 HD11 LEU 33 1HD1 LEU 33 -14.266 1.552 -13.901 232 HD12 LEU 33 2HD1 LEU 33 -12.517 1.352 -13.797 233 HD13 LEU 33 3HD1 LEU 33 -13.567 0.553 -12.626 234 HD21 LEU 33 3HD2 LEU 33 -15.369 -1.488 -14.591 235 HD22 LEU 33 1HD2 LEU 33 -14.779 -1.097 -12.975 236 HD23 LEU 33 2HD2 LEU 33 -13.981 -2.350 -13.926 237 H SER 34 H SER 34 -16.433 -0.153 -17.545 238 HA SER 34 HA SER 34 -15.714 0.432 -20.343 239 HB2 SER 34 1HB SER 34 -17.337 -1.405 -20.195 240 HB3 SER 34 2HB SER 34 -18.416 -0.384 -19.244 241 HG SER 34 HG SER 34 -17.980 1.039 -21.320 242 H LEU 35 H LEU 35 -16.451 2.352 -21.250 243 HA LEU 35 HA LEU 35 -17.739 4.258 -19.420 244 HB2 LEU 35 1HB LEU 35 -15.494 4.974 -21.292 245 HB3 LEU 35 2HB LEU 35 -16.261 6.012 -20.092 246 HG LEU 35 HG LEU 35 -14.705 3.553 -19.330 247 HD11 LEU 35 1HD1 LEU 35 -13.671 5.911 -20.516 248 HD12 LEU 35 2HD1 LEU 35 -12.791 4.552 -19.818 249 HD13 LEU 35 3HD1 LEU 35 -13.239 5.925 -18.806 250 HD21 LEU 35 3HD2 LEU 35 -15.708 4.111 -17.396 251 HD22 LEU 35 1HD2 LEU 35 -16.066 5.753 -17.934 252 HD23 LEU 35 2HD2 LEU 35 -14.459 5.355 -17.325 253 H ASP 36 H ASP 36 -18.524 6.239 -20.648 254 HA ASP 36 HA ASP 36 -20.029 5.308 -22.949 255 HB2 ASP 36 1HB ASP 36 -21.253 7.437 -22.728 256 HB3 ASP 36 2HB ASP 36 -21.209 6.549 -21.208 257 H CYS 37 H CYS 37 -17.204 5.641 -23.312 258 HA CYS 37 HA CYS 37 -17.238 7.741 -25.375 259 HB2 CYS 37 1HB CYS 37 -15.019 8.404 -24.856 260 HB3 CYS 37 2HB CYS 37 -15.871 8.334 -23.317 261 H GLY 38 H GLY 38 -16.048 4.612 -24.314 262 HA2 GLY 38 1HA GLY 38 -16.002 2.827 -25.973 263 HA3 GLY 38 2HA GLY 38 -15.400 4.005 -27.130 264 H HIS 39 H HIS 39 -14.339 3.506 -23.792 265 HA HIS 39 HA HIS 39 -11.892 2.220 -24.669 266 HB2 HIS 39 1HB HIS 39 -11.849 4.914 -23.294 267 HB3 HIS 39 2HB HIS 39 -10.437 3.903 -23.583 268 HD2 HIS 39 2HD HIS 39 -10.615 3.251 -26.678 269 HE1 HIS 39 1HE HIS 39 -11.293 7.397 -27.266 270 HE2 HIS 39 2HE HIS 39 -10.706 5.209 -28.366 271 H SER 40 H SER 40 -11.279 0.752 -23.218 272 HA SER 40 HA SER 40 -12.601 0.736 -20.617 273 HB2 SER 40 1HB SER 40 -10.761 -1.454 -21.478 274 HB3 SER 40 2HB SER 40 -12.271 -1.546 -20.570 275 HG SER 40 HG SER 40 -13.376 -1.088 -22.522 276 H PHE 41 H PHE 41 -11.270 -0.029 -18.725 277 HA PHE 41 HA PHE 41 -8.457 0.519 -18.742 278 HB2 PHE 41 1HB PHE 41 -10.256 2.416 -17.219 279 HB3 PHE 41 2HB PHE 41 -8.495 2.419 -17.208 280 HD1 PHE 41 2HD PHE 41 -11.455 2.940 -19.364 281 HD2 PHE 41 1HD PHE 41 -7.277 3.564 -18.849 282 HE1 PHE 41 2HE PHE 41 -11.451 4.475 -21.287 283 HE2 PHE 41 1HE PHE 41 -7.266 5.101 -20.771 284 HZ PHE 41 HZ PHE 41 -9.354 5.557 -21.993 285 H CYS 42 H CYS 42 -7.672 0.611 -16.323 286 HA CYS 42 HA CYS 42 -8.754 -1.766 -15.074 287 HB2 CYS 42 1HB CYS 42 -6.391 -0.015 -14.373 288 HB3 CYS 42 2HB CYS 42 -6.829 -1.481 -13.502 289 H GLN 43 H GLN 43 -9.956 -1.859 -13.267 290 HA GLN 43 HA GLN 43 -11.501 0.209 -12.372 291 HB2 GLN 43 1HB GLN 43 -11.979 -2.091 -11.780 292 HB3 GLN 43 2HB GLN 43 -10.518 -2.180 -10.806 293 HG2 GLN 43 1HG GLN 43 -12.289 -1.923 -9.290 294 HG3 GLN 43 2HG GLN 43 -11.503 -0.348 -9.382 295 HE21 GLN 43 1HE2 GLN 43 -12.661 1.381 -9.985 296 HE22 GLN 43 2HE2 GLN 43 -14.316 1.334 -10.479 297 H ALA 44 H ALA 44 -8.182 -0.324 -11.727 298 HA ALA 44 HA ALA 44 -8.190 1.522 -9.452 299 HB1 ALA 44 3HB ALA 44 -5.573 0.764 -9.851 300 HB2 ALA 44 1HB ALA 44 -6.702 0.039 -8.706 301 HB3 ALA 44 2HB ALA 44 -6.487 -0.675 -10.305 302 H CYS 45 H CYS 45 -6.361 1.040 -12.480 303 HA CYS 45 HA CYS 45 -4.932 3.362 -12.572 304 HB2 CYS 45 1HB CYS 45 -6.301 1.919 -14.848 305 HB3 CYS 45 2HB CYS 45 -5.113 3.199 -15.074 306 H LEU 46 H LEU 46 -8.349 2.935 -13.244 307 HA LEU 46 HA LEU 46 -8.794 5.506 -14.362 308 HB2 LEU 46 1HB LEU 46 -10.456 3.278 -13.359 309 HB3 LEU 46 2HB LEU 46 -11.210 4.870 -13.377 310 HG LEU 46 HG LEU 46 -9.888 3.800 -15.841 311 HD11 LEU 46 1HD1 LEU 46 -12.624 3.101 -14.803 312 HD12 LEU 46 2HD1 LEU 46 -11.327 2.003 -15.275 313 HD13 LEU 46 3HD1 LEU 46 -12.163 2.958 -16.500 314 HD21 LEU 46 3HD2 LEU 46 -10.739 5.631 -16.766 315 HD22 LEU 46 1HD2 LEU 46 -11.225 6.160 -15.156 316 HD23 LEU 46 2HD2 LEU 46 -12.352 5.249 -16.161 317 H THR 47 H THR 47 -9.242 4.184 -11.095 318 HA THR 47 HA THR 47 -10.231 6.555 -9.933 319 HB THR 47 HB THR 47 -8.764 4.259 -8.620 320 HG1 THR 47 1HG THR 47 -10.744 3.370 -8.380 321 HG21 THR 47 3HG2 THR 47 -8.703 6.178 -7.165 322 HG22 THR 47 1HG2 THR 47 -9.914 5.050 -6.557 323 HG23 THR 47 2HG2 THR 47 -10.417 6.492 -7.439 324 H ALA 48 H ALA 48 -6.978 5.336 -10.448 325 HA ALA 48 HA ALA 48 -5.714 7.353 -8.841 326 HB1 ALA 48 3HB ALA 48 -4.594 5.406 -10.850 327 HB2 ALA 48 1HB ALA 48 -3.618 6.483 -9.850 328 HB3 ALA 48 2HB ALA 48 -4.611 5.236 -9.095 329 H ASN 49 H ASN 49 -5.932 6.746 -12.348 330 HA ASN 49 HA ASN 49 -4.541 8.920 -13.289 331 HB2 ASN 49 1HB ASN 49 -5.650 7.015 -14.603 332 HB3 ASN 49 2HB ASN 49 -7.107 8.003 -14.576 333 HD21 ASN 49 1HD2 ASN 49 -7.376 9.370 -16.183 334 HD22 ASN 49 2HD2 ASN 49 -6.140 9.945 -17.245 335 H HIS 50 H HIS 50 -7.917 8.788 -12.242 336 HA HIS 50 HA HIS 50 -8.711 11.346 -13.004 337 HB2 HIS 50 1HB HIS 50 -9.587 9.731 -10.601 338 HB3 HIS 50 2HB HIS 50 -10.430 11.144 -11.229 339 HD2 HIS 50 2HD HIS 50 -9.940 9.897 -14.447 340 HE1 HIS 50 1HE HIS 50 -12.792 7.113 -12.993 341 HE2 HIS 50 2HE HIS 50 -11.612 8.011 -15.029 342 H LYS 51 H LYS 51 -7.558 10.304 -9.792 343 HA LYS 51 HA LYS 51 -7.464 12.810 -8.601 344 HB2 LYS 51 1HB LYS 51 -5.599 10.483 -8.099 345 HB3 LYS 51 2HB LYS 51 -5.891 11.828 -7.004 346 HG2 LYS 51 1HG LYS 51 -7.995 11.080 -6.430 347 HG3 LYS 51 2HG LYS 51 -8.172 10.127 -7.905 348 HD2 LYS 51 1HD LYS 51 -6.404 8.597 -7.062 349 HD3 LYS 51 2HD LYS 51 -6.386 9.511 -5.552 350 HE2 LYS 51 1HE LYS 51 -8.891 8.268 -6.654 351 HE3 LYS 51 2HE LYS 51 -7.785 7.384 -5.605 352 HZ1 LYS 51 3HZ LYS 51 -9.026 9.976 -4.869 353 HZ2 LYS 51 1HZ LYS 51 -8.149 8.936 -3.862 354 HZ3 LYS 51 2HZ LYS 51 -9.670 8.472 -4.437 355 H LYS 52 H LYS 52 -5.333 11.369 -10.918 356 HA LYS 52 HA LYS 52 -2.988 12.804 -10.498 357 HB2 LYS 52 1HB LYS 52 -3.709 10.925 -12.261 358 HB3 LYS 52 2HB LYS 52 -3.845 12.333 -13.306 359 HG2 LYS 52 1HG LYS 52 -1.367 12.031 -11.702 360 HG3 LYS 52 2HG LYS 52 -1.600 10.963 -13.088 361 HD2 LYS 52 1HD LYS 52 -0.605 12.680 -14.184 362 HD3 LYS 52 2HD LYS 52 -2.259 13.296 -14.225 363 HE2 LYS 52 1HE LYS 52 -1.509 14.282 -11.863 364 HE3 LYS 52 2HE LYS 52 0.075 14.196 -12.632 365 HZ1 LYS 52 3HZ LYS 52 -2.180 15.428 -14.066 366 HZ2 LYS 52 1HZ LYS 52 -0.521 15.715 -14.233 367 HZ3 LYS 52 2HZ LYS 52 -1.352 16.316 -12.889 368 H SER 53 H SER 53 -5.557 13.586 -12.851 369 HA SER 53 HA SER 53 -4.530 16.273 -13.150 370 HB2 SER 53 1HB SER 53 -5.663 14.721 -14.951 371 HB3 SER 53 2HB SER 53 -7.154 15.400 -14.300 372 HG SER 53 HG SER 53 -5.260 16.553 -15.896 373 H MET 54 H MET 54 -5.528 15.480 -10.530 374 HA MET 54 HA MET 54 -7.936 17.132 -10.261 375 HB2 MET 54 1HB MET 54 -7.544 14.721 -9.231 376 HB3 MET 54 2HB MET 54 -6.759 15.645 -7.957 377 HG2 MET 54 1HG MET 54 -9.089 15.181 -7.431 378 HG3 MET 54 2HG MET 54 -8.790 16.910 -7.586 379 HE1 MET 54 3HE MET 54 -10.986 14.040 -10.234 380 HE2 MET 54 1HE MET 54 -9.609 14.648 -11.155 381 HE3 MET 54 2HE MET 54 -9.351 13.870 -9.593 382 H LEU 55 H LEU 55 -4.647 16.776 -9.001 383 HA LEU 55 HA LEU 55 -4.798 19.040 -7.276 384 HB2 LEU 55 1HB LEU 55 -2.602 18.610 -6.737 385 HB3 LEU 55 2HB LEU 55 -3.185 17.019 -7.220 386 HG LEU 55 HG LEU 55 -1.841 18.713 -9.267 387 HD11 LEU 55 1HD1 LEU 55 0.306 17.480 -8.427 388 HD12 LEU 55 2HD1 LEU 55 -0.532 17.507 -6.876 389 HD13 LEU 55 3HD1 LEU 55 -0.180 19.018 -7.713 390 HD21 LEU 55 3HD2 LEU 55 -1.114 15.916 -9.022 391 HD22 LEU 55 1HD2 LEU 55 -1.775 16.797 -10.400 392 HD23 LEU 55 2HD2 LEU 55 -2.857 16.143 -9.171 393 H ASP 56 H ASP 56 -3.896 18.538 -10.612 394 HA ASP 56 HA ASP 56 -2.600 21.041 -10.995 395 HB2 ASP 56 1HB ASP 56 -3.661 18.894 -12.783 396 HB3 ASP 56 2HB ASP 56 -3.288 20.466 -13.484 397 H LYS 57 H LYS 57 -5.781 19.897 -12.144 398 HA LYS 57 HA LYS 57 -6.702 22.696 -12.055 399 HB2 LYS 57 1HB LYS 57 -7.736 20.490 -13.844 400 HB3 LYS 57 2HB LYS 57 -8.224 22.179 -13.874 401 HG2 LYS 57 1HG LYS 57 -5.987 22.827 -14.582 402 HG3 LYS 57 2HG LYS 57 -5.473 21.140 -14.524 403 HD2 LYS 57 1HD LYS 57 -7.421 20.726 -16.167 404 HD3 LYS 57 2HD LYS 57 -7.374 22.472 -16.423 405 HE2 LYS 57 1HE LYS 57 -4.789 21.985 -16.726 406 HE3 LYS 57 2HE LYS 57 -5.387 20.382 -17.151 407 HZ1 LYS 57 3HZ LYS 57 -6.064 21.117 -19.117 408 HZ2 LYS 57 1HZ LYS 57 -5.232 22.557 -18.808 409 HZ3 LYS 57 2HZ LYS 57 -6.879 22.437 -18.442 410 H GLY 58 H GLY 58 -7.763 19.317 -11.709 411 HA2 GLY 58 1HA GLY 58 -8.928 18.750 -9.619 412 HA3 GLY 58 2HA GLY 58 -9.785 20.276 -9.779 413 H GLU 59 H GLU 59 -9.131 17.944 -12.348 414 HA GLU 59 HA GLU 59 -11.816 16.897 -12.292 415 HB2 GLU 59 1HB GLU 59 -10.930 18.834 -14.419 416 HB3 GLU 59 2HB GLU 59 -12.190 17.646 -14.722 417 HG2 GLU 59 1HG GLU 59 -13.435 19.460 -14.109 418 HG3 GLU 59 2HG GLU 59 -13.252 18.641 -12.559 419 H SER 60 H SER 60 -12.122 15.129 -13.728 420 HA SER 60 HA SER 60 -9.608 14.064 -14.838 421 HB2 SER 60 1HB SER 60 -10.530 11.801 -14.364 422 HB3 SER 60 2HB SER 60 -10.296 12.763 -12.904 423 HG SER 60 HG SER 60 -12.723 12.225 -14.264 424 H SER 61 H SER 61 -9.714 12.883 -16.778 425 HA SER 61 HA SER 61 -12.206 12.649 -18.209 426 HB2 SER 61 1HB SER 61 -10.240 14.802 -18.823 427 HB3 SER 61 2HB SER 61 -10.989 13.970 -20.185 428 HG SER 61 HG SER 61 -12.085 15.910 -19.247 429 H CYS 62 H CYS 62 -12.106 11.187 -19.884 430 HA CYS 62 HA CYS 62 -10.491 9.067 -19.869 431 HB2 CYS 62 1HB CYS 62 -12.440 9.473 -21.425 432 HB3 CYS 62 2HB CYS 62 -11.323 10.325 -22.486 433 HA PRO 63 HA PRO 63 -6.433 10.753 -20.671 434 HB2 PRO 63 1HB PRO 63 -5.111 8.403 -20.355 435 HB3 PRO 63 2HB PRO 63 -5.690 9.370 -18.994 436 HG2 PRO 63 1HG PRO 63 -6.923 6.954 -20.261 437 HG3 PRO 63 2HG PRO 63 -6.756 7.353 -18.541 438 HD2 PRO 63 1HD PRO 63 -9.070 7.711 -19.902 439 HD3 PRO 63 2HD PRO 63 -8.576 8.768 -18.564 440 H VAL 64 H VAL 64 -8.364 8.997 -22.634 441 HA VAL 64 HA VAL 64 -6.251 8.550 -24.640 442 HB VAL 64 HB VAL 64 -8.977 7.259 -24.453 443 HG11 VAL 64 1HG1 VAL 64 -6.853 6.332 -26.320 444 HG12 VAL 64 2HG1 VAL 64 -8.608 6.203 -26.451 445 HG13 VAL 64 3HG1 VAL 64 -7.810 7.745 -26.764 446 HG21 VAL 64 3HG2 VAL 64 -6.204 6.194 -23.941 447 HG22 VAL 64 1HG2 VAL 64 -7.517 6.363 -22.777 448 HG23 VAL 64 2HG2 VAL 64 -7.643 5.185 -24.083 449 H CYS 65 H CYS 65 -9.684 9.478 -24.367 450 HA CYS 65 HA CYS 65 -9.312 11.189 -26.737 451 HB2 CYS 65 1HB CYS 65 -11.701 10.931 -27.175 452 HB3 CYS 65 2HB CYS 65 -10.919 9.356 -27.095 453 H ARG 66 H ARG 66 -9.779 11.193 -23.425 454 HA ARG 66 HA ARG 66 -10.442 12.747 -21.891 455 HB2 ARG 66 1HB ARG 66 -9.263 14.389 -24.114 456 HB3 ARG 66 2HB ARG 66 -9.911 15.164 -22.674 457 HG2 ARG 66 1HG ARG 66 -7.705 14.959 -22.108 458 HG3 ARG 66 2HG ARG 66 -8.362 13.470 -21.426 459 HD2 ARG 66 1HD ARG 66 -7.363 12.147 -22.996 460 HD3 ARG 66 2HD ARG 66 -7.403 13.402 -24.234 461 HE ARG 66 HE ARG 66 -5.319 12.932 -22.295 462 HH11 ARG 66 1HH1 ARG 66 -6.764 15.212 -24.494 463 HH12 ARG 66 2HH1 ARG 66 -5.328 16.169 -24.651 464 HH21 ARG 66 1HH2 ARG 66 -3.422 14.183 -22.494 465 HH22 ARG 66 2HH2 ARG 66 -3.428 15.582 -23.513 466 H ILE 67 H ILE 67 -12.635 11.783 -23.031 467 HA ILE 67 HA ILE 67 -14.264 13.862 -24.192 468 HB ILE 67 HB ILE 67 -14.535 11.471 -24.816 469 HG12 ILE 67 1HG1 ILE 67 -17.072 12.491 -23.549 470 HG13 ILE 67 2HG1 ILE 67 -16.361 13.272 -24.957 471 HG21 ILE 67 1HG2 ILE 67 -16.189 10.457 -22.847 472 HG22 ILE 67 2HG2 ILE 67 -14.519 9.984 -23.157 473 HG23 ILE 67 3HG2 ILE 67 -14.876 11.215 -21.947 474 HD11 ILE 67 3HD1 ILE 67 -18.144 11.704 -25.548 475 HD12 ILE 67 1HD1 ILE 67 -16.590 11.237 -26.237 476 HD13 ILE 67 2HD1 ILE 67 -17.217 10.392 -24.821 477 H SER 68 H SER 68 -16.375 14.453 -23.255 478 HA SER 68 HA SER 68 -16.046 15.194 -20.481 479 HB2 SER 68 1HB SER 68 -16.926 16.887 -21.938 480 HB3 SER 68 2HB SER 68 -18.190 15.807 -22.524 481 HG SER 68 HG SER 68 -18.419 17.485 -20.580 482 H TYR 69 H TYR 69 -16.827 14.115 -18.803 483 HA TYR 69 HA TYR 69 -19.358 12.886 -18.715 484 HB2 TYR 69 1HB TYR 69 -18.910 10.598 -18.871 485 HB3 TYR 69 2HB TYR 69 -17.959 11.279 -20.186 486 HD1 TYR 69 2HD TYR 69 -15.603 12.310 -18.760 487 HD2 TYR 69 1HD TYR 69 -17.761 8.684 -18.211 488 HE1 TYR 69 2HE TYR 69 -13.580 11.250 -17.849 489 HE2 TYR 69 1HE TYR 69 -15.744 7.614 -17.298 490 HH TYR 69 HH TYR 69 -12.880 8.420 -17.726 491 H GLN 70 H GLN 70 -19.829 11.950 -16.651 492 HA GLN 70 HA GLN 70 -18.018 12.924 -14.567 493 HB2 GLN 70 1HB GLN 70 -20.616 13.400 -14.787 494 HB3 GLN 70 2HB GLN 70 -20.735 11.857 -13.951 495 HG2 GLN 70 1HG GLN 70 -19.733 12.667 -12.034 496 HG3 GLN 70 2HG GLN 70 -18.963 14.008 -12.882 497 HE21 GLN 70 1HE2 GLN 70 -20.311 14.434 -10.548 498 HE22 GLN 70 2HE2 GLN 70 -21.759 15.323 -10.861 499 HA PRO 71 HA PRO 71 -16.723 8.785 -13.690 500 HB2 PRO 71 1HB PRO 71 -15.501 9.306 -11.322 501 HB3 PRO 71 2HB PRO 71 -14.792 9.735 -12.883 502 HG2 PRO 71 1HG PRO 71 -16.293 11.456 -10.947 503 HG3 PRO 71 2HG PRO 71 -14.819 11.824 -11.863 504 HD2 PRO 71 1HD PRO 71 -17.264 12.705 -12.623 505 HD3 PRO 71 2HD PRO 71 -15.986 12.309 -13.790 506 H GLU 72 H GLU 72 -19.172 10.441 -12.189 507 HA GLU 72 HA GLU 72 -19.547 8.747 -9.898 508 HB2 GLU 72 1HB GLU 72 -20.352 11.194 -10.269 509 HB3 GLU 72 2HB GLU 72 -21.706 10.447 -11.105 510 HG2 GLU 72 1HG GLU 72 -22.504 9.433 -9.178 511 HG3 GLU 72 2HG GLU 72 -20.961 9.589 -8.341 512 H ASN 73 H ASN 73 -21.422 9.230 -12.897 513 HA ASN 73 HA ASN 73 -22.807 6.717 -12.471 514 HB2 ASN 73 1HB ASN 73 -23.033 8.590 -14.833 515 HB3 ASN 73 2HB ASN 73 -24.175 7.339 -14.351 516 HD21 ASN 73 1HD2 ASN 73 -24.351 10.322 -14.687 517 HD22 ASN 73 2HD2 ASN 73 -25.060 10.877 -13.213 518 H ILE 74 H ILE 74 -21.325 5.090 -12.766 519 HA ILE 74 HA ILE 74 -20.660 4.475 -15.507 520 HB ILE 74 HB ILE 74 -18.431 4.750 -13.488 521 HG12 ILE 74 1HG1 ILE 74 -19.166 6.420 -15.897 522 HG13 ILE 74 2HG1 ILE 74 -19.110 6.944 -14.218 523 HG21 ILE 74 1HG2 ILE 74 -16.950 4.050 -15.197 524 HG22 ILE 74 2HG2 ILE 74 -18.276 2.888 -15.182 525 HG23 ILE 74 3HG2 ILE 74 -18.212 4.138 -16.425 526 HD11 ILE 74 3HD1 ILE 74 -16.676 6.561 -14.220 527 HD12 ILE 74 1HD1 ILE 74 -16.770 6.146 -15.931 528 HD13 ILE 74 2HD1 ILE 74 -17.189 7.773 -15.393 529 H ARG 75 H ARG 75 -20.386 2.303 -15.861 530 HA ARG 75 HA ARG 75 -20.046 0.491 -13.621 531 HB2 ARG 75 1HB ARG 75 -22.070 -0.759 -14.008 532 HB3 ARG 75 2HB ARG 75 -22.493 0.924 -13.721 533 HG2 ARG 75 1HG ARG 75 -22.415 1.067 -16.336 534 HG3 ARG 75 2HG ARG 75 -22.665 -0.676 -16.222 535 HD2 ARG 75 1HD ARG 75 -24.615 -0.175 -14.702 536 HD3 ARG 75 2HD ARG 75 -24.425 1.519 -15.153 537 HE ARG 75 HE ARG 75 -24.613 0.327 -17.545 538 HH11 ARG 75 1HH1 ARG 75 -26.529 0.043 -14.652 539 HH12 ARG 75 2HH1 ARG 75 -27.995 -0.321 -15.502 540 HH21 ARG 75 1HH2 ARG 75 -26.536 -0.151 -18.675 541 HH22 ARG 75 2HH2 ARG 75 -27.997 -0.432 -17.790 542 HA PRO 76 HA PRO 76 -17.863 -1.797 -16.678 543 HB2 PRO 76 1HB PRO 76 -17.889 -4.247 -15.508 544 HB3 PRO 76 2HB PRO 76 -16.880 -2.916 -14.929 545 HG2 PRO 76 1HG PRO 76 -19.517 -3.883 -13.893 546 HG3 PRO 76 2HG PRO 76 -18.071 -3.395 -12.990 547 HD2 PRO 76 1HD PRO 76 -20.206 -1.762 -13.316 548 HD3 PRO 76 2HD PRO 76 -18.544 -1.149 -13.202 549 H ASN 77 H ASN 77 -18.076 -4.168 -17.686 550 HA ASN 77 HA ASN 77 -20.313 -4.148 -19.340 551 HB2 ASN 77 1HB ASN 77 -18.691 -6.604 -18.657 552 HB3 ASN 77 2HB ASN 77 -19.581 -6.289 -20.143 553 HD21 ASN 77 1HD2 ASN 77 -16.702 -5.679 -18.343 554 HD22 ASN 77 2HD2 ASN 77 -15.837 -4.862 -19.596 555 H ARG 78 H ARG 78 -19.663 -6.129 -16.463 556 HA ARG 78 HA ARG 78 -22.469 -6.275 -15.858 557 HB2 ARG 78 1HB ARG 78 -22.630 -8.723 -15.915 558 HB3 ARG 78 2HB ARG 78 -22.312 -8.064 -17.514 559 HG2 ARG 78 1HG ARG 78 -20.151 -8.878 -17.567 560 HG3 ARG 78 2HG ARG 78 -20.049 -9.005 -15.809 561 HD2 ARG 78 1HD ARG 78 -20.331 -11.207 -16.308 562 HD3 ARG 78 2HD ARG 78 -22.025 -10.731 -16.201 563 HE ARG 78 HE ARG 78 -20.586 -11.520 -18.569 564 HH11 ARG 78 1HH1 ARG 78 -23.346 -9.815 -17.307 565 HH12 ARG 78 2HH1 ARG 78 -24.267 -9.960 -18.767 566 HH21 ARG 78 1HH2 ARG 78 -21.789 -11.718 -20.497 567 HH22 ARG 78 2HH2 ARG 78 -23.381 -11.044 -20.581 568 H HIS 79 H HIS 79 -22.794 -6.530 -13.717 569 HA HIS 79 HA HIS 79 -20.526 -7.446 -12.079 570 HB2 HIS 79 1HB HIS 79 -21.153 -5.732 -10.388 571 HB3 HIS 79 2HB HIS 79 -20.594 -5.032 -11.904 572 HD2 HIS 79 2HD HIS 79 -23.363 -4.483 -9.491 573 HE1 HIS 79 1HE HIS 79 -24.913 -3.210 -13.229 574 HE2 HIS 79 2HE HIS 79 -25.184 -3.125 -10.726 575 H VAL 80 H VAL 80 -21.540 -9.494 -11.940 576 HA VAL 80 HA VAL 80 -23.886 -9.526 -10.156 577 HB VAL 80 HB VAL 80 -23.272 -11.468 -12.387 578 HG11 VAL 80 1HG1 VAL 80 -24.284 -12.369 -10.197 579 HG12 VAL 80 2HG1 VAL 80 -25.741 -11.502 -10.689 580 HG13 VAL 80 3HG1 VAL 80 -25.079 -12.773 -11.718 581 HG21 VAL 80 3HG2 VAL 80 -25.123 -9.167 -12.095 582 HG22 VAL 80 1HG2 VAL 80 -24.266 -9.760 -13.518 583 HG23 VAL 80 2HG2 VAL 80 -25.716 -10.590 -12.954 584 H ALA 81 H ALA 81 -23.708 -10.713 -8.350 585 HA ALA 81 HA ALA 81 -21.197 -11.747 -7.558 586 HB1 ALA 81 3HB ALA 81 -23.908 -11.602 -6.374 587 HB2 ALA 81 1HB ALA 81 -22.797 -12.798 -5.705 588 HB3 ALA 81 2HB ALA 81 -22.353 -11.090 -5.718 589 H ASN 82 H ASN 82 -20.509 -13.358 -8.943 590 HA ASN 82 HA ASN 82 -22.091 -15.844 -8.893 591 HB2 ASN 82 1HB ASN 82 -21.304 -16.389 -11.084 592 HB3 ASN 82 2HB ASN 82 -21.890 -14.730 -11.149 593 HD21 ASN 82 1HD2 ASN 82 -20.299 -13.020 -11.033 594 HD22 ASN 82 2HD2 ASN 82 -18.718 -13.293 -11.674 595 H ILE 83 H ILE 83 -20.815 -17.839 -9.025 596 HA ILE 83 HA ILE 83 -18.436 -17.623 -7.354 597 HB ILE 83 HB ILE 83 -19.980 -20.067 -8.230 598 HG12 ILE 83 1HG1 ILE 83 -20.489 -20.018 -5.666 599 HG13 ILE 83 2HG1 ILE 83 -20.071 -18.313 -5.796 600 HG21 ILE 83 1HG2 ILE 83 -17.370 -19.909 -7.294 601 HG22 ILE 83 2HG2 ILE 83 -18.322 -20.360 -5.881 602 HG23 ILE 83 3HG2 ILE 83 -18.391 -21.346 -7.341 603 HD11 ILE 83 3HD1 ILE 83 -21.948 -17.803 -6.946 604 HD12 ILE 83 1HD1 ILE 83 -22.017 -19.369 -7.753 605 HD13 ILE 83 2HD1 ILE 83 -22.550 -19.215 -6.079 606 H VAL 84 H VAL 84 -16.413 -18.064 -8.011 607 HA VAL 84 HA VAL 84 -15.929 -19.522 -10.474 608 HB VAL 84 HB VAL 84 -16.225 -17.172 -11.215 609 HG11 VAL 84 1HG1 VAL 84 -14.787 -16.575 -8.909 610 HG12 VAL 84 2HG1 VAL 84 -13.693 -16.187 -10.238 611 HG13 VAL 84 3HG1 VAL 84 -15.292 -15.446 -10.165 612 HG21 VAL 84 3HG2 VAL 84 -14.898 -18.004 -12.809 613 HG22 VAL 84 1HG2 VAL 84 -13.588 -17.141 -12.004 614 HG23 VAL 84 2HG2 VAL 84 -13.878 -18.842 -11.640 615 H GLU 85 H GLU 85 -14.024 -20.599 -10.447 616 HA GLU 85 HA GLU 85 -12.372 -20.281 -8.048 617 HB2 GLU 85 1HB GLU 85 -13.409 -22.526 -8.812 618 HB3 GLU 85 2HB GLU 85 -12.135 -22.533 -10.024 619 HG2 GLU 85 1HG GLU 85 -10.622 -22.084 -7.899 620 HG3 GLU 85 2HG GLU 85 -11.967 -22.884 -7.087 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -18.079 -11.795 -4.114 2 HA2 GLY 1 1HA GLY 1 -15.417 -12.983 -3.620 3 HA3 GLY 1 2HA GLY 1 -16.858 -13.498 -2.755 4 H SER 2 H SER 2 -14.847 -14.145 -5.334 5 HA SER 2 HA SER 2 -16.906 -15.520 -6.892 6 HB2 SER 2 1HB SER 2 -13.983 -14.971 -7.448 7 HB3 SER 2 2HB SER 2 -15.024 -15.914 -8.515 8 HG SER 2 HG SER 2 -14.831 -13.222 -8.228 9 H SER 3 H SER 3 -13.871 -16.179 -5.182 10 HA SER 3 HA SER 3 -14.754 -18.936 -4.781 11 HB2 SER 3 1HB SER 3 -12.231 -18.096 -6.177 12 HB3 SER 3 2HB SER 3 -12.275 -19.600 -5.258 13 HG SER 3 HG SER 3 -12.835 -19.771 -7.540 14 H GLY 4 H GLY 4 -13.518 -20.053 -3.089 15 HA2 GLY 4 1HA GLY 4 -12.837 -18.174 -0.961 16 HA3 GLY 4 2HA GLY 4 -13.134 -19.896 -0.774 17 H SER 5 H SER 5 -11.383 -21.014 -2.537 18 HA SER 5 HA SER 5 -8.774 -19.959 -2.487 19 HB2 SER 5 1HB SER 5 -8.683 -20.274 -0.145 20 HB3 SER 5 2HB SER 5 -9.509 -21.829 -0.239 21 HG SER 5 HG SER 5 -6.983 -21.534 -0.085 22 H SER 6 H SER 6 -8.104 -20.797 -4.342 23 HA SER 6 HA SER 6 -8.284 -23.703 -4.717 24 HB2 SER 6 1HB SER 6 -9.028 -21.616 -6.780 25 HB3 SER 6 2HB SER 6 -8.843 -23.336 -7.121 26 HG SER 6 HG SER 6 -10.888 -21.992 -5.844 27 H GLY 7 H GLY 7 -6.791 -24.502 -6.412 28 HA2 GLY 7 1HA GLY 7 -4.185 -23.452 -6.010 29 HA3 GLY 7 2HA GLY 7 -4.620 -24.733 -7.132 30 H MET 8 H MET 8 -3.151 -23.885 -8.669 31 HA MET 8 HA MET 8 -3.330 -21.221 -9.642 32 HB2 MET 8 1HB MET 8 -2.093 -23.713 -10.816 33 HB3 MET 8 2HB MET 8 -1.952 -22.121 -11.547 34 HG2 MET 8 1HG MET 8 -0.742 -21.286 -9.668 35 HG3 MET 8 2HG MET 8 -1.044 -22.763 -8.755 36 HE1 MET 8 3HE MET 8 -0.587 -24.981 -9.715 37 HE2 MET 8 1HE MET 8 -0.019 -25.126 -11.379 38 HE3 MET 8 2HE MET 8 1.101 -25.380 -10.040 39 H ALA 9 H ALA 9 -4.587 -24.328 -10.801 40 HA ALA 9 HA ALA 9 -5.954 -24.802 -12.603 41 HB1 ALA 9 3HB ALA 9 -8.185 -23.767 -12.297 42 HB2 ALA 9 1HB ALA 9 -7.508 -24.423 -10.807 43 HB3 ALA 9 2HB ALA 9 -7.481 -22.683 -11.097 44 H SER 10 H SER 10 -3.956 -23.059 -13.463 45 HA SER 10 HA SER 10 -4.475 -20.690 -14.614 46 HB2 SER 10 1HB SER 10 -2.993 -21.361 -16.507 47 HB3 SER 10 2HB SER 10 -2.338 -21.793 -14.927 48 HG SER 10 HG SER 10 -2.767 -23.890 -15.303 49 H GLY 11 H GLY 11 -5.224 -23.781 -16.241 50 HA2 GLY 11 1HA GLY 11 -6.766 -24.300 -17.861 51 HA3 GLY 11 2HA GLY 11 -7.775 -23.075 -17.106 52 H ILE 12 H ILE 12 -4.726 -22.917 -18.943 53 HA ILE 12 HA ILE 12 -5.863 -20.736 -20.522 54 HB ILE 12 HB ILE 12 -3.595 -20.329 -21.310 55 HG12 ILE 12 1HG1 ILE 12 -2.500 -22.397 -19.449 56 HG13 ILE 12 2HG1 ILE 12 -3.071 -22.905 -21.035 57 HG21 ILE 12 1HG2 ILE 12 -3.832 -19.070 -19.438 58 HG22 ILE 12 2HG2 ILE 12 -4.225 -20.456 -18.422 59 HG23 ILE 12 3HG2 ILE 12 -2.548 -20.134 -18.864 60 HD11 ILE 12 3HD1 ILE 12 -0.728 -21.252 -20.297 61 HD12 ILE 12 1HD1 ILE 12 -0.891 -22.513 -21.519 62 HD13 ILE 12 2HD1 ILE 12 -1.541 -20.902 -21.822 63 H LEU 13 H LEU 13 -5.422 -20.690 -22.868 64 HA LEU 13 HA LEU 13 -5.178 -23.327 -24.111 65 HB2 LEU 13 1HB LEU 13 -7.539 -21.523 -24.212 66 HB3 LEU 13 2HB LEU 13 -7.104 -22.407 -25.672 67 HG LEU 13 HG LEU 13 -7.170 -24.492 -24.128 68 HD11 LEU 13 1HD1 LEU 13 -7.922 -24.282 -22.049 69 HD12 LEU 13 2HD1 LEU 13 -9.300 -23.316 -22.574 70 HD13 LEU 13 3HD1 LEU 13 -7.753 -22.537 -22.241 71 HD21 LEU 13 3HD2 LEU 13 -9.698 -24.573 -24.440 72 HD22 LEU 13 1HD2 LEU 13 -8.716 -24.336 -25.886 73 HD23 LEU 13 2HD2 LEU 13 -9.546 -22.965 -25.150 74 H VAL 14 H VAL 14 -4.731 -23.232 -26.413 75 HA VAL 14 HA VAL 14 -2.762 -21.364 -27.079 76 HB VAL 14 HB VAL 14 -4.403 -23.113 -28.917 77 HG11 VAL 14 1HG1 VAL 14 -2.264 -21.168 -29.428 78 HG12 VAL 14 2HG1 VAL 14 -2.021 -22.752 -30.167 79 HG13 VAL 14 3HG1 VAL 14 -3.483 -21.830 -30.517 80 HG21 VAL 14 3HG2 VAL 14 -1.696 -23.952 -28.579 81 HG22 VAL 14 1HG2 VAL 14 -2.436 -23.744 -26.992 82 HG23 VAL 14 2HG2 VAL 14 -3.181 -24.815 -28.178 83 H ASN 15 H ASN 15 -3.102 -19.249 -27.297 84 HA ASN 15 HA ASN 15 -5.128 -18.352 -29.199 85 HB2 ASN 15 1HB ASN 15 -6.031 -18.266 -26.802 86 HB3 ASN 15 2HB ASN 15 -4.862 -16.978 -26.529 87 HD21 ASN 15 1HD2 ASN 15 -7.809 -17.894 -28.078 88 HD22 ASN 15 2HD2 ASN 15 -8.272 -16.314 -28.601 89 H VAL 16 H VAL 16 -4.831 -16.032 -29.778 90 HA VAL 16 HA VAL 16 -2.073 -15.523 -30.330 91 HB VAL 16 HB VAL 16 -2.792 -13.645 -31.590 92 HG11 VAL 16 1HG1 VAL 16 -4.906 -14.643 -32.762 93 HG12 VAL 16 2HG1 VAL 16 -3.356 -15.480 -32.860 94 HG13 VAL 16 3HG1 VAL 16 -4.585 -16.027 -31.718 95 HG21 VAL 16 3HG2 VAL 16 -5.161 -13.732 -29.788 96 HG22 VAL 16 1HG2 VAL 16 -4.184 -12.357 -30.304 97 HG23 VAL 16 2HG2 VAL 16 -5.355 -13.072 -31.412 98 H LYS 17 H LYS 17 -1.542 -12.955 -30.102 99 HA LYS 17 HA LYS 17 -1.062 -12.600 -27.313 100 HB2 LYS 17 1HB LYS 17 -0.616 -10.719 -29.638 101 HB3 LYS 17 2HB LYS 17 -0.008 -10.467 -28.007 102 HG2 LYS 17 1HG LYS 17 1.845 -11.428 -28.825 103 HG3 LYS 17 2HG LYS 17 0.971 -12.929 -28.511 104 HD2 LYS 17 1HD LYS 17 0.024 -12.397 -30.951 105 HD3 LYS 17 2HD LYS 17 1.584 -11.580 -31.079 106 HE2 LYS 17 1HE LYS 17 1.433 -14.366 -30.004 107 HE3 LYS 17 2HE LYS 17 1.368 -14.090 -31.744 108 HZ1 LYS 17 3HZ LYS 17 3.601 -13.888 -29.936 109 HZ2 LYS 17 1HZ LYS 17 3.461 -12.570 -30.987 110 HZ3 LYS 17 2HZ LYS 17 3.582 -14.139 -31.609 111 H GLU 18 H GLU 18 -1.927 -11.129 -25.887 112 HA GLU 18 HA GLU 18 -4.551 -10.583 -25.793 113 HB2 GLU 18 1HB GLU 18 -3.956 -8.515 -24.429 114 HB3 GLU 18 2HB GLU 18 -3.274 -10.042 -23.887 115 HG2 GLU 18 1HG GLU 18 -1.447 -8.690 -23.730 116 HG3 GLU 18 2HG GLU 18 -1.244 -9.310 -25.368 117 H GLU 19 H GLU 19 -5.953 -8.875 -26.325 118 HA GLU 19 HA GLU 19 -5.035 -7.239 -28.597 119 HB2 GLU 19 1HB GLU 19 -7.360 -7.234 -29.375 120 HB3 GLU 19 2HB GLU 19 -6.739 -8.872 -29.229 121 HG2 GLU 19 1HG GLU 19 -8.387 -7.559 -27.090 122 HG3 GLU 19 2HG GLU 19 -9.090 -8.487 -28.413 123 H VAL 20 H VAL 20 -7.009 -7.263 -25.669 124 HA VAL 20 HA VAL 20 -7.375 -4.370 -25.832 125 HB VAL 20 HB VAL 20 -8.438 -6.325 -23.788 126 HG11 VAL 20 1HG1 VAL 20 -9.290 -4.603 -22.656 127 HG12 VAL 20 2HG1 VAL 20 -8.193 -3.582 -23.588 128 HG13 VAL 20 3HG1 VAL 20 -9.856 -3.813 -24.127 129 HG21 VAL 20 3HG2 VAL 20 -9.457 -5.377 -26.412 130 HG22 VAL 20 1HG2 VAL 20 -9.635 -6.946 -25.627 131 HG23 VAL 20 2HG2 VAL 20 -10.620 -5.580 -25.102 132 H THR 21 H THR 21 -5.813 -3.133 -25.041 133 HA THR 21 HA THR 21 -4.408 -4.027 -22.607 134 HB THR 21 HB THR 21 -3.249 -2.145 -24.661 135 HG1 THR 21 1HG THR 21 -2.004 -4.116 -25.232 136 HG21 THR 21 3HG2 THR 21 -1.126 -2.761 -23.589 137 HG22 THR 21 1HG2 THR 21 -2.001 -3.789 -22.455 138 HG23 THR 21 2HG2 THR 21 -2.250 -2.043 -22.434 139 H CYS 22 H CYS 22 -3.824 -2.419 -21.076 140 HA CYS 22 HA CYS 22 -5.772 -0.301 -20.869 141 HB2 CYS 22 1HB CYS 22 -5.161 -1.608 -18.889 142 HB3 CYS 22 2HB CYS 22 -3.490 -1.071 -19.038 143 HA PRO 23 HA PRO 23 -3.155 2.722 -22.807 144 HB2 PRO 23 1HB PRO 23 -4.759 4.858 -22.321 145 HB3 PRO 23 2HB PRO 23 -5.098 3.670 -23.585 146 HG2 PRO 23 1HG PRO 23 -6.250 3.886 -20.830 147 HG3 PRO 23 2HG PRO 23 -7.072 3.535 -22.362 148 HD2 PRO 23 1HD PRO 23 -6.412 1.600 -20.587 149 HD3 PRO 23 2HD PRO 23 -6.439 1.319 -22.339 150 H ILE 24 H ILE 24 -3.665 2.252 -19.570 151 HA ILE 24 HA ILE 24 -2.169 4.659 -18.786 152 HB ILE 24 HB ILE 24 -3.911 2.793 -17.188 153 HG12 ILE 24 1HG1 ILE 24 -4.083 5.786 -17.258 154 HG13 ILE 24 2HG1 ILE 24 -4.749 4.843 -18.587 155 HG21 ILE 24 1HG2 ILE 24 -3.308 4.115 -15.205 156 HG22 ILE 24 2HG2 ILE 24 -1.928 3.241 -15.868 157 HG23 ILE 24 3HG2 ILE 24 -2.097 4.971 -16.159 158 HD11 ILE 24 3HD1 ILE 24 -5.624 4.991 -15.744 159 HD12 ILE 24 1HD1 ILE 24 -6.575 5.116 -17.224 160 HD13 ILE 24 2HD1 ILE 24 -5.968 3.547 -16.695 161 H CYS 25 H CYS 25 -2.410 1.346 -17.495 162 HA CYS 25 HA CYS 25 0.372 1.375 -16.752 163 HB2 CYS 25 1HB CYS 25 -0.076 -0.898 -15.893 164 HB3 CYS 25 2HB CYS 25 -1.245 0.276 -15.299 165 H LEU 26 H LEU 26 -1.319 0.646 -19.559 166 HA LEU 26 HA LEU 26 -0.743 -0.300 -21.544 167 HB2 LEU 26 1HB LEU 26 2.044 -0.218 -20.399 168 HB3 LEU 26 2HB LEU 26 1.630 -0.457 -22.095 169 HG LEU 26 HG LEU 26 1.409 2.047 -20.449 170 HD11 LEU 26 1HD1 LEU 26 2.476 2.552 -22.963 171 HD12 LEU 26 2HD1 LEU 26 3.186 1.013 -22.478 172 HD13 LEU 26 3HD1 LEU 26 3.359 2.429 -21.442 173 HD21 LEU 26 3HD2 LEU 26 0.005 1.332 -23.003 174 HD22 LEU 26 1HD2 LEU 26 0.405 3.002 -22.602 175 HD23 LEU 26 2HD2 LEU 26 -0.656 2.072 -21.544 176 H GLU 27 H GLU 27 -1.360 -1.967 -19.171 177 HA GLU 27 HA GLU 27 0.108 -4.421 -19.843 178 HB2 GLU 27 1HB GLU 27 -1.689 -3.890 -17.472 179 HB3 GLU 27 2HB GLU 27 -0.688 -5.312 -17.727 180 HG2 GLU 27 1HG GLU 27 0.573 -2.612 -17.639 181 HG3 GLU 27 2HG GLU 27 0.110 -3.418 -16.141 182 H LEU 28 H LEU 28 -1.219 -6.459 -19.747 183 HA LEU 28 HA LEU 28 -3.259 -6.361 -21.678 184 HB2 LEU 28 1HB LEU 28 -2.207 -8.395 -21.620 185 HB3 LEU 28 2HB LEU 28 -2.158 -8.439 -19.858 186 HG LEU 28 HG LEU 28 -4.490 -9.069 -19.770 187 HD11 LEU 28 1HD1 LEU 28 -5.949 -8.958 -21.481 188 HD12 LEU 28 2HD1 LEU 28 -4.754 -9.459 -22.677 189 HD13 LEU 28 3HD1 LEU 28 -4.794 -7.787 -22.119 190 HD21 LEU 28 3HD2 LEU 28 -2.420 -10.629 -20.943 191 HD22 LEU 28 1HD2 LEU 28 -3.948 -11.056 -21.714 192 HD23 LEU 28 2HD2 LEU 28 -3.785 -11.163 -19.960 193 H LEU 29 H LEU 29 -5.251 -5.615 -21.440 194 HA LEU 29 HA LEU 29 -6.455 -5.389 -18.820 195 HB2 LEU 29 1HB LEU 29 -7.121 -4.449 -21.567 196 HB3 LEU 29 2HB LEU 29 -8.407 -4.530 -20.364 197 HG LEU 29 HG LEU 29 -5.884 -2.884 -20.189 198 HD11 LEU 29 1HD1 LEU 29 -8.747 -2.263 -20.807 199 HD12 LEU 29 2HD1 LEU 29 -7.287 -1.761 -21.659 200 HD13 LEU 29 3HD1 LEU 29 -7.686 -1.045 -20.098 201 HD21 LEU 29 3HD2 LEU 29 -7.986 -3.575 -18.199 202 HD22 LEU 29 1HD2 LEU 29 -7.320 -1.941 -18.193 203 HD23 LEU 29 2HD2 LEU 29 -6.253 -3.328 -17.976 204 H THR 30 H THR 30 -7.549 -6.996 -17.928 205 HA THR 30 HA THR 30 -8.909 -8.932 -19.682 206 HB THR 30 HB THR 30 -7.249 -10.040 -18.348 207 HG1 THR 30 1HG THR 30 -9.687 -10.745 -18.388 208 HG21 THR 30 3HG2 THR 30 -7.191 -9.927 -15.926 209 HG22 THR 30 1HG2 THR 30 -8.581 -8.843 -15.915 210 HG23 THR 30 2HG2 THR 30 -7.046 -8.303 -16.597 211 H GLN 31 H GLN 31 -9.242 -7.145 -16.631 212 HA GLN 31 HA GLN 31 -12.164 -7.402 -16.908 213 HB2 GLN 31 1HB GLN 31 -12.292 -7.248 -14.435 214 HB3 GLN 31 2HB GLN 31 -11.448 -8.686 -14.993 215 HG2 GLN 31 1HG GLN 31 -9.379 -7.895 -14.309 216 HG3 GLN 31 2HG GLN 31 -9.928 -6.220 -14.258 217 HE21 GLN 31 1HE2 GLN 31 -9.321 -8.990 -12.474 218 HE22 GLN 31 2HE2 GLN 31 -10.071 -8.514 -10.992 219 HA PRO 32 HA PRO 32 -10.647 -2.910 -16.806 220 HB2 PRO 32 1HB PRO 32 -11.319 -2.259 -19.354 221 HB3 PRO 32 2HB PRO 32 -9.732 -2.900 -18.913 222 HG2 PRO 32 1HG PRO 32 -12.090 -4.323 -20.086 223 HG3 PRO 32 2HG PRO 32 -10.373 -4.467 -20.507 224 HD2 PRO 32 1HD PRO 32 -11.644 -6.268 -18.934 225 HD3 PRO 32 2HD PRO 32 -9.926 -5.867 -18.732 226 H LEU 33 H LEU 33 -12.056 -0.970 -17.450 227 HA LEU 33 HA LEU 33 -14.872 -1.666 -16.944 228 HB2 LEU 33 1HB LEU 33 -13.516 0.964 -16.383 229 HB3 LEU 33 2HB LEU 33 -15.124 0.458 -15.869 230 HG LEU 33 HG LEU 33 -12.461 -0.485 -14.832 231 HD11 LEU 33 1HD1 LEU 33 -13.918 0.131 -12.684 232 HD12 LEU 33 2HD1 LEU 33 -14.675 1.214 -13.852 233 HD13 LEU 33 3HD1 LEU 33 -12.941 1.318 -13.549 234 HD21 LEU 33 3HD2 LEU 33 -15.174 -1.730 -14.594 235 HD22 LEU 33 1HD2 LEU 33 -13.987 -1.894 -13.300 236 HD23 LEU 33 2HD2 LEU 33 -13.618 -2.496 -14.916 237 H SER 34 H SER 34 -16.474 -0.107 -17.830 238 HA SER 34 HA SER 34 -15.638 0.785 -20.511 239 HB2 SER 34 1HB SER 34 -17.294 -1.056 -20.504 240 HB3 SER 34 2HB SER 34 -18.402 -0.038 -19.583 241 HG SER 34 HG SER 34 -18.942 0.152 -21.728 242 H LEU 35 H LEU 35 -16.678 2.692 -21.373 243 HA LEU 35 HA LEU 35 -17.869 4.489 -19.394 244 HB2 LEU 35 1HB LEU 35 -15.583 5.295 -21.184 245 HB3 LEU 35 2HB LEU 35 -16.412 6.315 -20.009 246 HG LEU 35 HG LEU 35 -14.936 3.850 -19.145 247 HD11 LEU 35 1HD1 LEU 35 -13.170 5.787 -18.587 248 HD12 LEU 35 2HD1 LEU 35 -13.820 6.408 -20.103 249 HD13 LEU 35 3HD1 LEU 35 -13.098 4.800 -20.047 250 HD21 LEU 35 3HD2 LEU 35 -14.712 5.949 -17.313 251 HD22 LEU 35 1HD2 LEU 35 -15.728 4.514 -17.179 252 HD23 LEU 35 2HD2 LEU 35 -16.381 5.994 -17.882 253 H ASP 36 H ASP 36 -18.435 6.659 -20.621 254 HA ASP 36 HA ASP 36 -20.051 5.840 -22.905 255 HB2 ASP 36 1HB ASP 36 -21.096 8.106 -22.619 256 HB3 ASP 36 2HB ASP 36 -21.241 7.055 -21.213 257 H CYS 37 H CYS 37 -17.057 6.392 -22.928 258 HA CYS 37 HA CYS 37 -17.049 8.480 -25.005 259 HB2 CYS 37 1HB CYS 37 -14.790 8.958 -24.467 260 HB3 CYS 37 2HB CYS 37 -15.626 8.814 -22.924 261 H GLY 38 H GLY 38 -15.752 5.292 -24.148 262 HA2 GLY 38 1HA GLY 38 -15.944 3.604 -25.966 263 HA3 GLY 38 2HA GLY 38 -15.271 4.831 -27.029 264 H HIS 39 H HIS 39 -14.179 4.201 -23.747 265 HA HIS 39 HA HIS 39 -11.817 2.804 -24.742 266 HB2 HIS 39 1HB HIS 39 -11.672 5.342 -23.102 267 HB3 HIS 39 2HB HIS 39 -10.301 4.307 -23.489 268 HD2 HIS 39 2HD HIS 39 -10.501 3.977 -26.637 269 HE1 HIS 39 1HE HIS 39 -10.976 8.189 -26.799 270 HE2 HIS 39 2HE HIS 39 -10.491 6.098 -28.117 271 H SER 40 H SER 40 -10.940 1.383 -23.299 272 HA SER 40 HA SER 40 -12.434 1.023 -20.802 273 HB2 SER 40 1HB SER 40 -10.466 -0.995 -21.800 274 HB3 SER 40 2HB SER 40 -11.981 -1.241 -20.932 275 HG SER 40 HG SER 40 -12.177 -0.100 -23.453 276 H PHE 41 H PHE 41 -11.191 0.241 -18.901 277 HA PHE 41 HA PHE 41 -8.388 0.843 -18.753 278 HB2 PHE 41 1HB PHE 41 -10.303 2.594 -17.198 279 HB3 PHE 41 2HB PHE 41 -8.545 2.647 -17.119 280 HD1 PHE 41 2HD PHE 41 -11.455 3.264 -19.306 281 HD2 PHE 41 1HD PHE 41 -7.289 3.876 -18.685 282 HE1 PHE 41 2HE PHE 41 -11.429 4.913 -21.132 283 HE2 PHE 41 1HE PHE 41 -7.256 5.527 -20.509 284 HZ PHE 41 HZ PHE 41 -9.328 6.047 -21.736 285 H CYS 42 H CYS 42 -7.676 0.746 -16.342 286 HA CYS 42 HA CYS 42 -8.824 -1.688 -15.264 287 HB2 CYS 42 1HB CYS 42 -6.439 -0.050 -14.376 288 HB3 CYS 42 2HB CYS 42 -6.907 -1.603 -13.692 289 H GLN 43 H GLN 43 -10.128 -1.830 -13.548 290 HA GLN 43 HA GLN 43 -11.599 0.208 -12.520 291 HB2 GLN 43 1HB GLN 43 -12.246 -2.021 -12.022 292 HB3 GLN 43 2HB GLN 43 -10.721 -2.362 -11.215 293 HG2 GLN 43 1HG GLN 43 -12.253 -2.127 -9.482 294 HG3 GLN 43 2HG GLN 43 -11.411 -0.579 -9.529 295 HE21 GLN 43 1HE2 GLN 43 -12.497 1.248 -10.233 296 HE22 GLN 43 2HE2 GLN 43 -14.217 1.300 -10.386 297 H ALA 44 H ALA 44 -8.314 -0.528 -11.788 298 HA ALA 44 HA ALA 44 -8.304 1.189 -9.424 299 HB1 ALA 44 3HB ALA 44 -6.343 0.202 -8.809 300 HB2 ALA 44 1HB ALA 44 -7.029 -1.100 -9.782 301 HB3 ALA 44 2HB ALA 44 -5.807 -0.031 -10.473 302 H CYS 45 H CYS 45 -6.419 0.893 -12.443 303 HA CYS 45 HA CYS 45 -4.957 3.183 -12.363 304 HB2 CYS 45 1HB CYS 45 -6.345 1.933 -14.738 305 HB3 CYS 45 2HB CYS 45 -5.157 3.225 -14.879 306 H LEU 46 H LEU 46 -8.341 2.897 -13.364 307 HA LEU 46 HA LEU 46 -8.737 5.533 -14.201 308 HB2 LEU 46 1HB LEU 46 -10.464 3.313 -13.283 309 HB3 LEU 46 2HB LEU 46 -11.167 4.929 -13.251 310 HG LEU 46 HG LEU 46 -9.874 3.893 -15.746 311 HD11 LEU 46 1HD1 LEU 46 -11.351 2.131 -15.365 312 HD12 LEU 46 2HD1 LEU 46 -12.267 3.236 -16.390 313 HD13 LEU 46 3HD1 LEU 46 -12.574 3.184 -14.654 314 HD21 LEU 46 3HD2 LEU 46 -12.068 5.875 -15.151 315 HD22 LEU 46 1HD2 LEU 46 -11.563 5.392 -16.770 316 HD23 LEU 46 2HD2 LEU 46 -10.433 6.232 -15.709 317 H THR 47 H THR 47 -9.227 4.061 -11.004 318 HA THR 47 HA THR 47 -10.179 6.339 -9.689 319 HB THR 47 HB THR 47 -8.552 4.073 -8.519 320 HG1 THR 47 1HG THR 47 -10.708 3.307 -7.967 321 HG21 THR 47 3HG2 THR 47 -10.573 5.536 -6.925 322 HG22 THR 47 1HG2 THR 47 -9.070 6.390 -7.267 323 HG23 THR 47 2HG2 THR 47 -9.031 4.836 -6.433 324 H ALA 48 H ALA 48 -6.867 5.127 -10.081 325 HA ALA 48 HA ALA 48 -5.627 7.144 -8.532 326 HB1 ALA 48 3HB ALA 48 -3.577 6.429 -9.950 327 HB2 ALA 48 1HB ALA 48 -4.303 5.272 -8.834 328 HB3 ALA 48 2HB ALA 48 -4.655 5.174 -10.560 329 H ASN 49 H ASN 49 -5.559 6.720 -12.078 330 HA ASN 49 HA ASN 49 -4.417 9.051 -12.847 331 HB2 ASN 49 1HB ASN 49 -5.511 7.089 -14.232 332 HB3 ASN 49 2HB ASN 49 -6.870 8.204 -14.335 333 HD21 ASN 49 1HD2 ASN 49 -3.850 7.345 -15.572 334 HD22 ASN 49 2HD2 ASN 49 -3.630 8.686 -16.640 335 H HIS 50 H HIS 50 -7.856 8.615 -12.077 336 HA HIS 50 HA HIS 50 -8.852 11.095 -12.673 337 HB2 HIS 50 1HB HIS 50 -9.505 9.208 -10.418 338 HB3 HIS 50 2HB HIS 50 -10.393 10.711 -10.651 339 HD2 HIS 50 2HD HIS 50 -10.444 10.300 -14.042 340 HE1 HIS 50 1HE HIS 50 -12.862 6.987 -12.958 341 HE2 HIS 50 2HE HIS 50 -12.101 8.480 -14.838 342 H LYS 51 H LYS 51 -7.138 10.129 -9.725 343 HA LYS 51 HA LYS 51 -7.377 12.619 -8.405 344 HB2 LYS 51 1HB LYS 51 -5.310 10.436 -8.074 345 HB3 LYS 51 2HB LYS 51 -5.542 11.780 -6.964 346 HG2 LYS 51 1HG LYS 51 -7.642 10.983 -6.271 347 HG3 LYS 51 2HG LYS 51 -7.745 9.849 -7.620 348 HD2 LYS 51 1HD LYS 51 -5.702 8.713 -6.638 349 HD3 LYS 51 2HD LYS 51 -5.956 9.708 -5.202 350 HE2 LYS 51 1HE LYS 51 -8.320 8.787 -5.162 351 HE3 LYS 51 2HE LYS 51 -7.781 7.619 -6.369 352 HZ1 LYS 51 3HZ LYS 51 -6.888 7.905 -3.566 353 HZ2 LYS 51 1HZ LYS 51 -5.958 7.070 -4.706 354 HZ3 LYS 51 2HZ LYS 51 -7.521 6.539 -4.338 355 H LYS 52 H LYS 52 -5.101 11.349 -10.737 356 HA LYS 52 HA LYS 52 -2.984 13.116 -10.440 357 HB2 LYS 52 1HB LYS 52 -3.187 11.093 -11.993 358 HB3 LYS 52 2HB LYS 52 -3.985 12.179 -13.123 359 HG2 LYS 52 1HG LYS 52 -1.344 12.978 -12.016 360 HG3 LYS 52 2HG LYS 52 -1.403 11.720 -13.254 361 HD2 LYS 52 1HD LYS 52 -2.200 13.156 -14.866 362 HD3 LYS 52 2HD LYS 52 -2.927 14.248 -13.685 363 HE2 LYS 52 1HE LYS 52 -0.817 15.167 -13.108 364 HE3 LYS 52 2HE LYS 52 0.048 13.905 -13.984 365 HZ1 LYS 52 3HZ LYS 52 -0.256 14.936 -15.945 366 HZ2 LYS 52 1HZ LYS 52 -0.438 16.317 -14.985 367 HZ3 LYS 52 2HZ LYS 52 -1.803 15.497 -15.555 368 H SER 53 H SER 53 -5.858 13.467 -12.512 369 HA SER 53 HA SER 53 -5.185 16.047 -13.456 370 HB2 SER 53 1HB SER 53 -6.880 14.366 -14.430 371 HB3 SER 53 2HB SER 53 -8.009 15.018 -13.243 372 HG SER 53 HG SER 53 -6.583 16.773 -14.907 373 H MET 54 H MET 54 -6.651 14.908 -10.542 374 HA MET 54 HA MET 54 -8.193 17.004 -9.686 375 HB2 MET 54 1HB MET 54 -7.421 14.744 -8.528 376 HB3 MET 54 2HB MET 54 -6.286 15.819 -7.722 377 HG2 MET 54 1HG MET 54 -7.983 15.929 -6.235 378 HG3 MET 54 2HG MET 54 -8.488 17.228 -7.313 379 HE1 MET 54 3HE MET 54 -9.167 15.086 -9.785 380 HE2 MET 54 1HE MET 54 -10.921 14.970 -9.642 381 HE3 MET 54 2HE MET 54 -10.131 16.544 -9.547 382 H LEU 55 H LEU 55 -4.753 16.913 -10.088 383 HA LEU 55 HA LEU 55 -4.555 19.611 -8.921 384 HB2 LEU 55 1HB LEU 55 -2.107 19.091 -8.701 385 HB3 LEU 55 2HB LEU 55 -3.185 18.178 -7.646 386 HG LEU 55 HG LEU 55 -2.997 16.384 -9.572 387 HD11 LEU 55 1HD1 LEU 55 -0.393 16.583 -10.156 388 HD12 LEU 55 2HD1 LEU 55 -0.812 18.295 -10.117 389 HD13 LEU 55 3HD1 LEU 55 -1.668 17.202 -11.205 390 HD21 LEU 55 3HD2 LEU 55 -1.158 16.985 -7.298 391 HD22 LEU 55 1HD2 LEU 55 -0.819 15.617 -8.359 392 HD23 LEU 55 2HD2 LEU 55 -2.344 15.690 -7.475 393 H ASP 56 H ASP 56 -3.696 17.534 -11.619 394 HA ASP 56 HA ASP 56 -2.077 19.302 -13.055 395 HB2 ASP 56 1HB ASP 56 -2.618 16.801 -13.488 396 HB3 ASP 56 2HB ASP 56 -3.982 17.418 -14.416 397 H LYS 57 H LYS 57 -5.571 18.694 -13.430 398 HA LYS 57 HA LYS 57 -5.802 21.368 -14.650 399 HB2 LYS 57 1HB LYS 57 -7.460 18.894 -15.173 400 HB3 LYS 57 2HB LYS 57 -7.798 20.485 -15.842 401 HG2 LYS 57 1HG LYS 57 -6.033 20.402 -17.299 402 HG3 LYS 57 2HG LYS 57 -5.115 19.278 -16.294 403 HD2 LYS 57 1HD LYS 57 -5.803 17.974 -18.105 404 HD3 LYS 57 2HD LYS 57 -6.975 17.590 -16.842 405 HE2 LYS 57 1HE LYS 57 -7.591 19.829 -18.699 406 HE3 LYS 57 2HE LYS 57 -7.721 18.181 -19.313 407 HZ1 LYS 57 3HZ LYS 57 -9.035 19.024 -16.800 408 HZ2 LYS 57 1HZ LYS 57 -9.355 17.657 -17.743 409 HZ3 LYS 57 2HZ LYS 57 -9.790 19.191 -18.305 410 H GLY 58 H GLY 58 -7.545 18.935 -12.721 411 HA2 GLY 58 1HA GLY 58 -8.301 20.136 -10.537 412 HA3 GLY 58 2HA GLY 58 -9.272 21.064 -11.670 413 H GLU 59 H GLU 59 -10.049 19.054 -13.430 414 HA GLU 59 HA GLU 59 -11.769 17.425 -11.680 415 HB2 GLU 59 1HB GLU 59 -13.442 17.467 -13.401 416 HB3 GLU 59 2HB GLU 59 -12.917 19.119 -13.109 417 HG2 GLU 59 1HG GLU 59 -13.012 19.026 -15.405 418 HG3 GLU 59 2HG GLU 59 -11.308 18.709 -15.087 419 H SER 60 H SER 60 -12.433 15.314 -12.554 420 HA SER 60 HA SER 60 -10.152 14.005 -13.839 421 HB2 SER 60 1HB SER 60 -12.523 12.700 -12.489 422 HB3 SER 60 2HB SER 60 -10.994 11.940 -12.931 423 HG SER 60 HG SER 60 -11.581 13.056 -10.650 424 H SER 61 H SER 61 -10.406 12.585 -15.594 425 HA SER 61 HA SER 61 -12.854 12.033 -16.870 426 HB2 SER 61 1HB SER 61 -12.727 13.498 -18.809 427 HB3 SER 61 2HB SER 61 -12.781 14.473 -17.341 428 HG SER 61 HG SER 61 -11.159 15.315 -18.561 429 H CYS 62 H CYS 62 -12.591 10.841 -18.841 430 HA CYS 62 HA CYS 62 -10.713 8.933 -18.929 431 HB2 CYS 62 1HB CYS 62 -12.665 9.126 -20.478 432 HB3 CYS 62 2HB CYS 62 -11.744 10.287 -21.429 433 HA PRO 63 HA PRO 63 -6.881 11.115 -19.551 434 HB2 PRO 63 1HB PRO 63 -5.305 8.905 -19.573 435 HB3 PRO 63 2HB PRO 63 -5.963 9.601 -18.087 436 HG2 PRO 63 1HG PRO 63 -6.944 7.265 -19.682 437 HG3 PRO 63 2HG PRO 63 -6.794 7.435 -17.924 438 HD2 PRO 63 1HD PRO 63 -9.155 7.721 -19.218 439 HD3 PRO 63 2HD PRO 63 -8.758 8.628 -17.744 440 H VAL 64 H VAL 64 -8.592 9.279 -21.714 441 HA VAL 64 HA VAL 64 -6.487 9.347 -23.764 442 HB VAL 64 HB VAL 64 -9.159 7.938 -23.850 443 HG11 VAL 64 1HG1 VAL 64 -6.795 7.900 -25.719 444 HG12 VAL 64 2HG1 VAL 64 -8.141 6.761 -25.796 445 HG13 VAL 64 3HG1 VAL 64 -8.423 8.482 -26.066 446 HG21 VAL 64 3HG2 VAL 64 -6.441 6.685 -23.528 447 HG22 VAL 64 1HG2 VAL 64 -7.490 7.076 -22.165 448 HG23 VAL 64 2HG2 VAL 64 -8.019 5.912 -23.381 449 H CYS 65 H CYS 65 -9.892 10.214 -23.234 450 HA CYS 65 HA CYS 65 -9.620 12.215 -25.380 451 HB2 CYS 65 1HB CYS 65 -12.126 11.934 -25.670 452 HB3 CYS 65 2HB CYS 65 -11.134 10.582 -26.208 453 H ARG 66 H ARG 66 -10.504 11.529 -22.131 454 HA ARG 66 HA ARG 66 -11.085 12.856 -20.377 455 HB2 ARG 66 1HB ARG 66 -9.987 14.829 -22.328 456 HB3 ARG 66 2HB ARG 66 -10.843 15.437 -20.918 457 HG2 ARG 66 1HG ARG 66 -8.734 15.400 -20.084 458 HG3 ARG 66 2HG ARG 66 -9.231 13.759 -19.664 459 HD2 ARG 66 1HD ARG 66 -7.128 13.480 -20.637 460 HD3 ARG 66 2HD ARG 66 -8.254 13.092 -21.938 461 HE ARG 66 HE ARG 66 -7.769 15.725 -22.309 462 HH11 ARG 66 1HH1 ARG 66 -5.709 12.946 -21.921 463 HH12 ARG 66 2HH1 ARG 66 -4.433 13.592 -22.899 464 HH21 ARG 66 1HH2 ARG 66 -6.097 16.587 -23.598 465 HH22 ARG 66 2HH2 ARG 66 -4.654 15.664 -23.852 466 H ILE 67 H ILE 67 -13.210 11.866 -21.539 467 HA ILE 67 HA ILE 67 -15.049 13.750 -22.607 468 HB ILE 67 HB ILE 67 -15.277 10.953 -21.580 469 HG12 ILE 67 1HG1 ILE 67 -14.556 11.356 -23.892 470 HG13 ILE 67 2HG1 ILE 67 -16.122 10.552 -23.851 471 HG21 ILE 67 1HG2 ILE 67 -17.233 12.074 -20.664 472 HG22 ILE 67 2HG2 ILE 67 -17.622 12.724 -22.256 473 HG23 ILE 67 3HG2 ILE 67 -17.696 10.985 -21.972 474 HD11 ILE 67 3HD1 ILE 67 -15.376 13.056 -25.042 475 HD12 ILE 67 1HD1 ILE 67 -16.859 12.120 -25.224 476 HD13 ILE 67 2HD1 ILE 67 -16.701 13.275 -23.900 477 H SER 68 H SER 68 -17.078 14.403 -21.603 478 HA SER 68 HA SER 68 -16.626 15.373 -18.918 479 HB2 SER 68 1HB SER 68 -18.800 15.813 -20.960 480 HB3 SER 68 2HB SER 68 -18.937 16.427 -19.312 481 HG SER 68 HG SER 68 -17.598 17.961 -19.808 482 H TYR 69 H TYR 69 -16.670 13.441 -17.707 483 HA TYR 69 HA TYR 69 -19.346 12.625 -16.950 484 HB2 TYR 69 1HB TYR 69 -19.142 10.333 -17.404 485 HB3 TYR 69 2HB TYR 69 -18.511 11.104 -18.855 486 HD1 TYR 69 1HD TYR 69 -17.657 9.163 -15.865 487 HD2 TYR 69 2HD TYR 69 -16.155 10.977 -19.408 488 HE1 TYR 69 1HE TYR 69 -15.565 7.894 -15.621 489 HE2 TYR 69 2HE TYR 69 -14.059 9.712 -19.175 490 HH TYR 69 HH TYR 69 -12.988 8.115 -18.048 491 H GLN 70 H GLN 70 -19.363 11.330 -14.975 492 HA GLN 70 HA GLN 70 -16.928 11.740 -13.367 493 HB2 GLN 70 1HB GLN 70 -19.807 12.225 -12.743 494 HB3 GLN 70 2HB GLN 70 -18.739 11.721 -11.440 495 HG2 GLN 70 1HG GLN 70 -18.571 14.197 -13.124 496 HG3 GLN 70 2HG GLN 70 -18.798 14.071 -11.381 497 HE21 GLN 70 1HE2 GLN 70 -16.530 13.929 -13.997 498 HE22 GLN 70 2HE2 GLN 70 -15.098 13.953 -13.031 499 HA PRO 71 HA PRO 71 -16.893 7.423 -12.551 500 HB2 PRO 71 1HB PRO 71 -15.656 7.407 -10.134 501 HB3 PRO 71 2HB PRO 71 -14.807 7.752 -11.646 502 HG2 PRO 71 1HG PRO 71 -15.856 9.655 -9.587 503 HG3 PRO 71 2HG PRO 71 -14.309 9.684 -10.451 504 HD2 PRO 71 1HD PRO 71 -16.403 11.247 -11.160 505 HD3 PRO 71 2HD PRO 71 -15.239 10.615 -12.343 506 H GLU 72 H GLU 72 -18.905 9.525 -11.008 507 HA GLU 72 HA GLU 72 -19.795 7.779 -8.881 508 HB2 GLU 72 1HB GLU 72 -19.820 10.298 -8.745 509 HB3 GLU 72 2HB GLU 72 -21.137 10.280 -9.909 510 HG2 GLU 72 1HG GLU 72 -21.236 8.859 -7.263 511 HG3 GLU 72 2HG GLU 72 -21.829 10.499 -7.520 512 H ASN 73 H ASN 73 -20.776 8.650 -12.130 513 HA ASN 73 HA ASN 73 -23.073 6.824 -11.908 514 HB2 ASN 73 1HB ASN 73 -22.535 9.191 -13.689 515 HB3 ASN 73 2HB ASN 73 -23.754 7.991 -14.109 516 HD21 ASN 73 1HD2 ASN 73 -23.009 10.725 -12.242 517 HD22 ASN 73 2HD2 ASN 73 -24.497 10.830 -11.370 518 H ILE 74 H ILE 74 -21.175 5.216 -12.083 519 HA ILE 74 HA ILE 74 -21.029 4.390 -14.882 520 HB ILE 74 HB ILE 74 -18.574 4.418 -13.128 521 HG12 ILE 74 1HG1 ILE 74 -19.539 6.344 -15.229 522 HG13 ILE 74 2HG1 ILE 74 -18.943 6.693 -13.610 523 HG21 ILE 74 1HG2 ILE 74 -17.417 3.496 -14.883 524 HG22 ILE 74 2HG2 ILE 74 -18.987 2.717 -15.076 525 HG23 ILE 74 3HG2 ILE 74 -18.555 4.094 -16.090 526 HD11 ILE 74 3HD1 ILE 74 -16.724 6.378 -14.233 527 HD12 ILE 74 1HD1 ILE 74 -17.163 5.502 -15.699 528 HD13 ILE 74 2HD1 ILE 74 -17.438 7.241 -15.595 529 H ARG 75 H ARG 75 -20.886 2.178 -15.192 530 HA ARG 75 HA ARG 75 -20.717 0.465 -12.826 531 HB2 ARG 75 1HB ARG 75 -22.729 -0.713 -13.307 532 HB3 ARG 75 2HB ARG 75 -23.132 0.999 -13.316 533 HG2 ARG 75 1HG ARG 75 -23.041 1.001 -15.764 534 HG3 ARG 75 2HG ARG 75 -22.664 -0.723 -15.741 535 HD2 ARG 75 1HD ARG 75 -24.805 -1.133 -14.572 536 HD3 ARG 75 2HD ARG 75 -25.182 0.583 -14.716 537 HE ARG 75 HE ARG 75 -24.756 -0.082 -17.266 538 HH11 ARG 75 1HH1 ARG 75 -26.633 -1.629 -14.774 539 HH12 ARG 75 2HH1 ARG 75 -27.789 -2.296 -15.878 540 HH21 ARG 75 1HH2 ARG 75 -26.273 -0.955 -18.729 541 HH22 ARG 75 2HH2 ARG 75 -27.584 -1.913 -18.127 542 HA PRO 76 HA PRO 76 -18.222 -1.973 -15.517 543 HB2 PRO 76 1HB PRO 76 -18.295 -4.312 -14.141 544 HB3 PRO 76 2HB PRO 76 -17.355 -2.914 -13.608 545 HG2 PRO 76 1HG PRO 76 -20.047 -3.849 -12.690 546 HG3 PRO 76 2HG PRO 76 -18.682 -3.251 -11.728 547 HD2 PRO 76 1HD PRO 76 -20.813 -1.702 -12.353 548 HD3 PRO 76 2HD PRO 76 -19.175 -1.043 -12.171 549 H ASN 77 H ASN 77 -18.305 -4.378 -16.384 550 HA ASN 77 HA ASN 77 -21.060 -4.913 -17.285 551 HB2 ASN 77 1HB ASN 77 -19.943 -5.771 -19.418 552 HB3 ASN 77 2HB ASN 77 -19.963 -4.025 -19.185 553 HD21 ASN 77 1HD2 ASN 77 -17.923 -6.783 -18.265 554 HD22 ASN 77 2HD2 ASN 77 -16.425 -6.026 -18.675 555 H ARG 78 H ARG 78 -19.887 -6.111 -15.023 556 HA ARG 78 HA ARG 78 -18.610 -8.537 -15.409 557 HB2 ARG 78 1HB ARG 78 -19.232 -7.312 -13.220 558 HB3 ARG 78 2HB ARG 78 -20.752 -8.191 -13.328 559 HG2 ARG 78 1HG ARG 78 -19.126 -10.254 -13.612 560 HG3 ARG 78 2HG ARG 78 -18.018 -9.184 -12.750 561 HD2 ARG 78 1HD ARG 78 -20.800 -9.863 -11.809 562 HD3 ARG 78 2HD ARG 78 -19.344 -10.704 -11.279 563 HE ARG 78 HE ARG 78 -18.909 -8.011 -10.821 564 HH11 ARG 78 1HH1 ARG 78 -21.137 -10.467 -9.762 565 HH12 ARG 78 2HH1 ARG 78 -21.391 -9.750 -8.206 566 HH21 ARG 78 1HH2 ARG 78 -19.235 -7.057 -8.775 567 HH22 ARG 78 2HH2 ARG 78 -20.309 -7.810 -7.646 568 H HIS 79 H HIS 79 -19.172 -10.374 -16.366 569 HA HIS 79 HA HIS 79 -22.036 -10.883 -16.844 570 HB2 HIS 79 1HB HIS 79 -20.363 -10.456 -18.818 571 HB3 HIS 79 2HB HIS 79 -19.881 -12.123 -18.517 572 HD2 HIS 79 2HD HIS 79 -23.125 -10.172 -19.615 573 HE1 HIS 79 1HE HIS 79 -23.455 -14.232 -20.802 574 HE2 HIS 79 2HE HIS 79 -24.461 -11.929 -20.964 575 H VAL 80 H VAL 80 -22.889 -12.797 -16.233 576 HA VAL 80 HA VAL 80 -21.270 -15.104 -15.684 577 HB VAL 80 HB VAL 80 -20.910 -13.790 -13.621 578 HG11 VAL 80 1HG1 VAL 80 -22.566 -12.629 -12.710 579 HG12 VAL 80 2HG1 VAL 80 -23.702 -13.309 -13.877 580 HG13 VAL 80 3HG1 VAL 80 -23.414 -14.131 -12.343 581 HG21 VAL 80 3HG2 VAL 80 -20.637 -15.916 -12.951 582 HG22 VAL 80 1HG2 VAL 80 -22.192 -15.691 -12.150 583 HG23 VAL 80 2HG2 VAL 80 -22.120 -16.458 -13.737 584 H ALA 81 H ALA 81 -22.460 -16.975 -15.624 585 HA ALA 81 HA ALA 81 -25.196 -16.770 -16.515 586 HB1 ALA 81 3HB ALA 81 -24.282 -19.456 -15.895 587 HB2 ALA 81 1HB ALA 81 -24.840 -18.774 -17.423 588 HB3 ALA 81 2HB ALA 81 -23.156 -18.581 -16.934 589 H ASN 82 H ASN 82 -24.982 -15.731 -13.963 590 HA ASN 82 HA ASN 82 -25.677 -17.679 -11.981 591 HB2 ASN 82 1HB ASN 82 -26.011 -15.792 -10.502 592 HB3 ASN 82 2HB ASN 82 -24.548 -15.524 -11.446 593 HD21 ASN 82 1HD2 ASN 82 -26.934 -13.910 -10.161 594 HD22 ASN 82 2HD2 ASN 82 -27.205 -12.682 -11.346 595 H ILE 83 H ILE 83 -27.474 -18.791 -12.750 596 HA ILE 83 HA ILE 83 -29.955 -17.212 -12.952 597 HB ILE 83 HB ILE 83 -30.894 -19.044 -14.285 598 HG12 ILE 83 1HG1 ILE 83 -28.933 -20.603 -15.223 599 HG13 ILE 83 2HG1 ILE 83 -28.272 -20.289 -13.623 600 HG21 ILE 83 1HG2 ILE 83 -29.732 -17.122 -15.347 601 HG22 ILE 83 2HG2 ILE 83 -28.270 -18.104 -15.431 602 HG23 ILE 83 3HG2 ILE 83 -29.711 -18.590 -16.324 603 HD11 ILE 83 3HD1 ILE 83 -31.098 -21.080 -13.680 604 HD12 ILE 83 1HD1 ILE 83 -29.949 -22.310 -14.203 605 HD13 ILE 83 2HD1 ILE 83 -29.794 -21.581 -12.605 606 H VAL 84 H VAL 84 -28.764 -18.139 -10.485 607 HA VAL 84 HA VAL 84 -31.076 -19.423 -9.365 608 HB VAL 84 HB VAL 84 -29.816 -21.376 -10.227 609 HG11 VAL 84 1HG1 VAL 84 -27.561 -20.504 -10.053 610 HG12 VAL 84 2HG1 VAL 84 -27.693 -20.452 -8.294 611 HG13 VAL 84 3HG1 VAL 84 -27.702 -22.003 -9.135 612 HG21 VAL 84 3HG2 VAL 84 -29.483 -21.765 -7.349 613 HG22 VAL 84 1HG2 VAL 84 -31.037 -21.063 -7.800 614 HG23 VAL 84 2HG2 VAL 84 -30.530 -22.604 -8.493 615 H GLU 85 H GLU 85 -31.304 -18.958 -7.232 616 HA GLU 85 HA GLU 85 -30.051 -16.866 -6.038 617 HB2 GLU 85 1HB GLU 85 -31.439 -19.263 -4.900 618 HB3 GLU 85 2HB GLU 85 -30.683 -18.104 -3.816 619 HG2 GLU 85 1HG GLU 85 -32.046 -16.317 -4.784 620 HG3 GLU 85 2HG GLU 85 -32.816 -17.492 -5.848 Start of MODEL 14 1 H1 GLY 1 H GLY 1 16.368 1.090 3.324 2 HA2 GLY 1 1HA GLY 1 17.779 -0.923 3.360 3 HA3 GLY 1 2HA GLY 1 16.402 -1.777 4.040 4 H SER 2 H SER 2 17.078 -3.192 2.143 5 HA SER 2 HA SER 2 15.212 -2.711 -0.004 6 HB2 SER 2 1HB SER 2 18.187 -2.649 -0.455 7 HB3 SER 2 2HB SER 2 17.083 -3.155 -1.734 8 HG SER 2 HG SER 2 16.865 -0.698 -0.333 9 H SER 3 H SER 3 15.438 -4.584 -1.674 10 HA SER 3 HA SER 3 16.339 -7.062 -0.415 11 HB2 SER 3 1HB SER 3 13.869 -6.570 0.129 12 HB3 SER 3 2HB SER 3 13.562 -6.912 -1.574 13 HG SER 3 HG SER 3 14.264 -8.982 -1.285 14 H GLY 4 H GLY 4 16.304 -8.909 -1.927 15 HA2 GLY 4 1HA GLY 4 16.475 -8.027 -4.741 16 HA3 GLY 4 2HA GLY 4 17.709 -9.051 -4.021 17 H SER 5 H SER 5 17.319 -10.637 -5.625 18 HA SER 5 HA SER 5 14.910 -12.238 -5.087 19 HB2 SER 5 1HB SER 5 16.077 -11.491 -7.768 20 HB3 SER 5 2HB SER 5 14.994 -12.868 -7.563 21 HG SER 5 HG SER 5 14.407 -10.172 -6.889 22 H SER 6 H SER 6 15.150 -14.525 -5.808 23 HA SER 6 HA SER 6 17.940 -15.424 -5.493 24 HB2 SER 6 1HB SER 6 17.032 -17.438 -4.367 25 HB3 SER 6 2HB SER 6 16.638 -15.954 -3.500 26 HG SER 6 HG SER 6 14.617 -16.146 -4.943 27 H GLY 7 H GLY 7 18.601 -17.264 -6.657 28 HA2 GLY 7 1HA GLY 7 18.277 -19.028 -8.211 29 HA3 GLY 7 2HA GLY 7 16.740 -18.310 -8.666 30 H MET 8 H MET 8 17.728 -18.835 -10.838 31 HA MET 8 HA MET 8 19.839 -17.108 -11.758 32 HB2 MET 8 1HB MET 8 17.984 -18.967 -13.256 33 HB3 MET 8 2HB MET 8 19.338 -18.110 -13.981 34 HG2 MET 8 1HG MET 8 19.740 -19.928 -11.639 35 HG3 MET 8 2HG MET 8 19.651 -20.559 -13.282 36 HE1 MET 8 3HE MET 8 22.366 -21.381 -13.794 37 HE2 MET 8 1HE MET 8 21.213 -20.596 -14.874 38 HE3 MET 8 2HE MET 8 22.884 -20.036 -14.812 39 H ALA 9 H ALA 9 19.539 -15.040 -12.227 40 HA ALA 9 HA ALA 9 16.926 -13.932 -12.634 41 HB1 ALA 9 3HB ALA 9 18.986 -12.841 -11.516 42 HB2 ALA 9 1HB ALA 9 19.465 -12.439 -13.165 43 HB3 ALA 9 2HB ALA 9 17.933 -11.846 -12.522 44 H SER 10 H SER 10 16.207 -15.033 -14.517 45 HA SER 10 HA SER 10 17.623 -14.426 -17.008 46 HB2 SER 10 1HB SER 10 16.688 -16.775 -16.311 47 HB3 SER 10 2HB SER 10 15.151 -16.120 -16.877 48 HG SER 10 HG SER 10 15.906 -16.834 -18.726 49 H GLY 11 H GLY 11 16.996 -12.798 -18.254 50 HA2 GLY 11 1HA GLY 11 14.603 -11.317 -17.633 51 HA3 GLY 11 2HA GLY 11 15.778 -10.929 -18.881 52 H ILE 12 H ILE 12 13.582 -13.671 -18.256 53 HA ILE 12 HA ILE 12 12.576 -13.341 -21.007 54 HB ILE 12 HB ILE 12 12.155 -15.782 -21.035 55 HG12 ILE 12 1HG1 ILE 12 13.747 -16.953 -19.223 56 HG13 ILE 12 2HG1 ILE 12 13.282 -15.531 -18.295 57 HG21 ILE 12 1HG2 ILE 12 14.750 -14.474 -21.062 58 HG22 ILE 12 2HG2 ILE 12 14.862 -16.201 -20.730 59 HG23 ILE 12 3HG2 ILE 12 14.056 -15.636 -22.193 60 HD11 ILE 12 3HD1 ILE 12 11.847 -17.922 -18.673 61 HD12 ILE 12 1HD1 ILE 12 11.357 -16.480 -17.783 62 HD13 ILE 12 2HD1 ILE 12 10.954 -16.642 -19.493 63 H LEU 13 H LEU 13 10.455 -13.037 -21.219 64 HA LEU 13 HA LEU 13 8.737 -13.590 -18.891 65 HB2 LEU 13 1HB LEU 13 8.860 -11.336 -20.812 66 HB3 LEU 13 2HB LEU 13 7.265 -11.833 -20.252 67 HG LEU 13 HG LEU 13 8.145 -9.962 -18.949 68 HD11 LEU 13 1HD1 LEU 13 8.115 -12.460 -17.271 69 HD12 LEU 13 2HD1 LEU 13 6.665 -11.712 -17.940 70 HD13 LEU 13 3HD1 LEU 13 7.662 -10.825 -16.787 71 HD21 LEU 13 3HD2 LEU 13 10.052 -10.673 -17.312 72 HD22 LEU 13 1HD2 LEU 13 10.442 -10.094 -18.932 73 HD23 LEU 13 2HD2 LEU 13 10.450 -11.824 -18.588 74 H VAL 14 H VAL 14 7.153 -15.023 -19.143 75 HA VAL 14 HA VAL 14 6.639 -16.085 -21.816 76 HB VAL 14 HB VAL 14 5.778 -17.116 -19.109 77 HG11 VAL 14 1HG1 VAL 14 5.533 -18.403 -21.826 78 HG12 VAL 14 2HG1 VAL 14 5.074 -19.126 -20.282 79 HG13 VAL 14 3HG1 VAL 14 4.203 -17.718 -20.892 80 HG21 VAL 14 3HG2 VAL 14 7.414 -18.964 -19.734 81 HG22 VAL 14 1HG2 VAL 14 8.017 -17.860 -20.970 82 HG23 VAL 14 2HG2 VAL 14 8.108 -17.411 -19.267 83 H ASN 15 H ASN 15 5.232 -14.715 -22.813 84 HA ASN 15 HA ASN 15 2.492 -14.878 -22.137 85 HB2 ASN 15 1HB ASN 15 1.981 -12.736 -21.345 86 HB3 ASN 15 2HB ASN 15 3.451 -13.149 -20.467 87 HD21 ASN 15 1HD2 ASN 15 2.010 -11.108 -22.836 88 HD22 ASN 15 2HD2 ASN 15 3.356 -10.045 -23.051 89 H VAL 16 H VAL 16 1.122 -13.632 -23.639 90 HA VAL 16 HA VAL 16 2.552 -13.063 -26.154 91 HB VAL 16 HB VAL 16 0.698 -13.875 -27.402 92 HG11 VAL 16 1HG1 VAL 16 1.573 -15.896 -27.095 93 HG12 VAL 16 2HG1 VAL 16 1.985 -15.526 -25.419 94 HG13 VAL 16 3HG1 VAL 16 0.384 -16.150 -25.818 95 HG21 VAL 16 3HG2 VAL 16 -1.280 -13.269 -26.471 96 HG22 VAL 16 1HG2 VAL 16 -1.227 -14.927 -25.873 97 HG23 VAL 16 2HG2 VAL 16 -0.733 -13.596 -24.826 98 H LYS 17 H LYS 17 0.749 -11.849 -27.656 99 HA LYS 17 HA LYS 17 0.476 -9.271 -26.406 100 HB2 LYS 17 1HB LYS 17 -0.440 -8.600 -28.642 101 HB3 LYS 17 2HB LYS 17 1.172 -9.301 -28.695 102 HG2 LYS 17 1HG LYS 17 -1.033 -11.211 -29.044 103 HG3 LYS 17 2HG LYS 17 -0.855 -10.011 -30.327 104 HD2 LYS 17 1HD LYS 17 1.289 -10.736 -30.874 105 HD3 LYS 17 2HD LYS 17 1.521 -11.532 -29.315 106 HE2 LYS 17 1HE LYS 17 -0.214 -13.183 -29.960 107 HE3 LYS 17 2HE LYS 17 -0.305 -12.420 -31.547 108 HZ1 LYS 17 3HZ LYS 17 2.322 -13.286 -30.594 109 HZ2 LYS 17 1HZ LYS 17 1.702 -13.252 -32.167 110 HZ3 LYS 17 2HZ LYS 17 1.238 -14.480 -31.102 111 H GLU 18 H GLU 18 -1.050 -9.837 -24.741 112 HA GLU 18 HA GLU 18 -3.456 -10.994 -24.813 113 HB2 GLU 18 1HB GLU 18 -3.060 -8.247 -23.620 114 HB3 GLU 18 2HB GLU 18 -4.245 -9.448 -23.128 115 HG2 GLU 18 1HG GLU 18 -1.257 -9.656 -22.850 116 HG3 GLU 18 2HG GLU 18 -2.423 -9.389 -21.555 117 H GLU 19 H GLU 19 -5.630 -10.380 -25.252 118 HA GLU 19 HA GLU 19 -5.956 -9.066 -27.748 119 HB2 GLU 19 1HB GLU 19 -8.399 -9.385 -27.306 120 HB3 GLU 19 2HB GLU 19 -7.445 -10.857 -27.196 121 HG2 GLU 19 1HG GLU 19 -7.447 -10.687 -24.764 122 HG3 GLU 19 2HG GLU 19 -8.392 -9.203 -24.866 123 H VAL 20 H VAL 20 -6.712 -8.166 -24.407 124 HA VAL 20 HA VAL 20 -7.166 -5.405 -25.339 125 HB VAL 20 HB VAL 20 -8.315 -6.553 -22.802 126 HG11 VAL 20 1HG1 VAL 20 -8.062 -3.965 -23.658 127 HG12 VAL 20 2HG1 VAL 20 -9.695 -4.380 -24.182 128 HG13 VAL 20 3HG1 VAL 20 -9.245 -4.542 -22.484 129 HG21 VAL 20 3HG2 VAL 20 -9.755 -7.741 -24.014 130 HG22 VAL 20 1HG2 VAL 20 -10.389 -6.220 -24.643 131 HG23 VAL 20 2HG2 VAL 20 -9.120 -7.076 -25.519 132 H THR 21 H THR 21 -5.690 -3.996 -24.692 133 HA THR 21 HA THR 21 -4.143 -4.595 -22.254 134 HB THR 21 HB THR 21 -3.172 -2.928 -24.577 135 HG1 THR 21 1HG THR 21 -2.089 -5.450 -24.134 136 HG21 THR 21 3HG2 THR 21 -2.200 -2.732 -22.187 137 HG22 THR 21 1HG2 THR 21 -1.085 -2.937 -23.537 138 HG23 THR 21 2HG2 THR 21 -1.493 -4.314 -22.513 139 H CYS 22 H CYS 22 -3.732 -2.944 -20.804 140 HA CYS 22 HA CYS 22 -5.640 -0.794 -20.800 141 HB2 CYS 22 1HB CYS 22 -5.047 -1.947 -18.720 142 HB3 CYS 22 2HB CYS 22 -3.376 -1.421 -18.892 143 HA PRO 23 HA PRO 23 -3.014 2.086 -22.926 144 HB2 PRO 23 1HB PRO 23 -4.601 4.260 -22.573 145 HB3 PRO 23 2HB PRO 23 -4.955 2.995 -23.755 146 HG2 PRO 23 1HG PRO 23 -6.091 3.398 -21.014 147 HG3 PRO 23 2HG PRO 23 -6.923 2.954 -22.516 148 HD2 PRO 23 1HD PRO 23 -6.267 1.135 -20.621 149 HD3 PRO 23 2HD PRO 23 -6.305 0.740 -22.351 150 H ILE 24 H ILE 24 -3.526 1.843 -19.659 151 HA ILE 24 HA ILE 24 -2.001 4.281 -19.044 152 HB ILE 24 HB ILE 24 -3.793 2.557 -17.352 153 HG12 ILE 24 1HG1 ILE 24 -3.850 5.540 -17.443 154 HG13 ILE 24 2HG1 ILE 24 -4.459 4.655 -18.838 155 HG21 ILE 24 1HG2 ILE 24 -1.788 2.953 -16.046 156 HG22 ILE 24 2HG2 ILE 24 -1.876 4.678 -16.397 157 HG23 ILE 24 3HG2 ILE 24 -3.125 3.914 -15.415 158 HD11 ILE 24 3HD1 ILE 24 -5.538 4.833 -16.080 159 HD12 ILE 24 1HD1 ILE 24 -6.373 4.899 -17.631 160 HD13 ILE 24 2HD1 ILE 24 -5.808 3.352 -16.999 161 H CYS 25 H CYS 25 -2.267 1.068 -17.525 162 HA CYS 25 HA CYS 25 0.517 1.121 -16.794 163 HB2 CYS 25 1HB CYS 25 0.044 -1.110 -15.811 164 HB3 CYS 25 2HB CYS 25 -1.077 0.130 -15.259 165 H LEU 26 H LEU 26 -1.112 0.329 -19.582 166 HA LEU 26 HA LEU 26 -0.693 -1.050 -21.375 167 HB2 LEU 26 1HB LEU 26 2.172 -0.336 -20.838 168 HB3 LEU 26 2HB LEU 26 1.377 -0.587 -22.391 169 HG LEU 26 HG LEU 26 0.828 1.743 -20.556 170 HD11 LEU 26 1HD1 LEU 26 2.454 2.941 -21.537 171 HD12 LEU 26 2HD1 LEU 26 2.207 2.185 -23.111 172 HD13 LEU 26 3HD1 LEU 26 3.159 1.360 -21.877 173 HD21 LEU 26 3HD2 LEU 26 -0.990 1.896 -21.849 174 HD22 LEU 26 1HD2 LEU 26 -0.364 0.741 -23.026 175 HD23 LEU 26 2HD2 LEU 26 0.121 2.435 -23.110 176 H GLU 27 H GLU 27 -1.006 -2.671 -19.232 177 HA GLU 27 HA GLU 27 1.181 -4.629 -19.484 178 HB2 GLU 27 1HB GLU 27 -0.757 -4.197 -17.206 179 HB3 GLU 27 2HB GLU 27 0.390 -5.525 -17.296 180 HG2 GLU 27 1HG GLU 27 2.108 -3.539 -17.610 181 HG3 GLU 27 2HG GLU 27 0.851 -2.649 -16.752 182 H LEU 28 H LEU 28 -2.205 -4.832 -18.409 183 HA LEU 28 HA LEU 28 -3.062 -6.342 -20.663 184 HB2 LEU 28 1HB LEU 28 -1.943 -8.198 -19.863 185 HB3 LEU 28 2HB LEU 28 -2.223 -7.766 -18.177 186 HG LEU 28 HG LEU 28 -4.567 -8.447 -18.396 187 HD11 LEU 28 1HD1 LEU 28 -4.123 -8.156 -21.117 188 HD12 LEU 28 2HD1 LEU 28 -5.570 -8.804 -20.346 189 HD13 LEU 28 3HD1 LEU 28 -4.293 -9.896 -20.883 190 HD21 LEU 28 3HD2 LEU 28 -3.136 -10.795 -19.479 191 HD22 LEU 28 1HD2 LEU 28 -4.112 -10.630 -18.019 192 HD23 LEU 28 2HD2 LEU 28 -2.448 -10.045 -18.037 193 H LEU 29 H LEU 29 -5.284 -6.633 -20.701 194 HA LEU 29 HA LEU 29 -6.761 -5.617 -18.365 195 HB2 LEU 29 1HB LEU 29 -6.992 -4.891 -21.250 196 HB3 LEU 29 2HB LEU 29 -8.425 -4.835 -20.226 197 HG LEU 29 HG LEU 29 -5.917 -3.187 -20.001 198 HD11 LEU 29 1HD1 LEU 29 -7.475 -2.296 -21.565 199 HD12 LEU 29 2HD1 LEU 29 -7.602 -1.341 -20.088 200 HD13 LEU 29 3HD1 LEU 29 -8.825 -2.556 -20.460 201 HD21 LEU 29 3HD2 LEU 29 -7.341 -2.178 -18.037 202 HD22 LEU 29 1HD2 LEU 29 -6.267 -3.551 -17.767 203 HD23 LEU 29 2HD2 LEU 29 -8.000 -3.813 -17.966 204 H THR 30 H THR 30 -7.458 -7.561 -17.592 205 HA THR 30 HA THR 30 -8.770 -9.431 -19.413 206 HB THR 30 HB THR 30 -7.204 -10.411 -17.833 207 HG1 THR 30 1HG THR 30 -9.731 -11.135 -16.810 208 HG21 THR 30 3HG2 THR 30 -8.998 -9.286 -15.679 209 HG22 THR 30 1HG2 THR 30 -7.371 -8.725 -16.061 210 HG23 THR 30 2HG2 THR 30 -7.616 -10.350 -15.422 211 H GLN 31 H GLN 31 -9.467 -7.527 -16.504 212 HA GLN 31 HA GLN 31 -12.329 -7.772 -17.137 213 HB2 GLN 31 1HB GLN 31 -10.950 -8.156 -14.502 214 HB3 GLN 31 2HB GLN 31 -12.611 -7.578 -14.553 215 HG2 GLN 31 1HG GLN 31 -11.716 -10.099 -15.919 216 HG3 GLN 31 2HG GLN 31 -12.300 -10.057 -14.256 217 HE21 GLN 31 1HE2 GLN 31 -13.154 -10.318 -17.488 218 HE22 GLN 31 2HE2 GLN 31 -14.864 -10.141 -17.318 219 HA PRO 32 HA PRO 32 -10.797 -3.343 -16.584 220 HB2 PRO 32 1HB PRO 32 -11.342 -2.507 -19.108 221 HB3 PRO 32 2HB PRO 32 -9.789 -3.210 -18.644 222 HG2 PRO 32 1HG PRO 32 -12.118 -4.499 -20.013 223 HG3 PRO 32 2HG PRO 32 -10.388 -4.652 -20.368 224 HD2 PRO 32 1HD PRO 32 -11.761 -6.527 -18.978 225 HD3 PRO 32 2HD PRO 32 -10.047 -6.178 -18.675 226 H LEU 33 H LEU 33 -12.142 -1.331 -17.191 227 HA LEU 33 HA LEU 33 -14.967 -1.982 -16.715 228 HB2 LEU 33 1HB LEU 33 -13.594 0.664 -16.296 229 HB3 LEU 33 2HB LEU 33 -15.194 0.185 -15.732 230 HG LEU 33 HG LEU 33 -12.543 -0.849 -14.728 231 HD11 LEU 33 1HD1 LEU 33 -13.654 0.147 -12.574 232 HD12 LEU 33 2HD1 LEU 33 -14.536 1.132 -13.741 233 HD13 LEU 33 3HD1 LEU 33 -12.774 1.184 -13.697 234 HD21 LEU 33 3HD2 LEU 33 -15.184 -2.005 -14.637 235 HD22 LEU 33 1HD2 LEU 33 -14.592 -1.641 -13.016 236 HD23 LEU 33 2HD2 LEU 33 -13.645 -2.670 -14.089 237 H SER 34 H SER 34 -16.543 -0.354 -17.618 238 HA SER 34 HA SER 34 -15.747 0.350 -20.366 239 HB2 SER 34 1HB SER 34 -17.438 -1.416 -20.310 240 HB3 SER 34 2HB SER 34 -18.481 -0.410 -19.305 241 HG SER 34 HG SER 34 -17.647 0.148 -21.962 242 H LEU 35 H LEU 35 -16.528 2.294 -21.264 243 HA LEU 35 HA LEU 35 -17.670 4.216 -19.357 244 HB2 LEU 35 1HB LEU 35 -15.526 4.958 -21.326 245 HB3 LEU 35 2HB LEU 35 -16.153 5.915 -19.985 246 HG LEU 35 HG LEU 35 -14.522 3.397 -19.667 247 HD11 LEU 35 1HD1 LEU 35 -12.735 4.620 -20.144 248 HD12 LEU 35 2HD1 LEU 35 -13.103 5.623 -18.741 249 HD13 LEU 35 3HD1 LEU 35 -13.717 6.073 -20.332 250 HD21 LEU 35 3HD2 LEU 35 -16.205 4.598 -17.875 251 HD22 LEU 35 1HD2 LEU 35 -14.653 5.344 -17.494 252 HD23 LEU 35 2HD2 LEU 35 -14.819 3.589 -17.458 253 H ASP 36 H ASP 36 -18.427 6.245 -20.538 254 HA ASP 36 HA ASP 36 -20.063 5.388 -22.777 255 HB2 ASP 36 1HB ASP 36 -20.005 8.028 -21.298 256 HB3 ASP 36 2HB ASP 36 -21.209 7.542 -22.488 257 H CYS 37 H CYS 37 -17.082 5.939 -22.938 258 HA CYS 37 HA CYS 37 -17.172 7.961 -25.079 259 HB2 CYS 37 1HB CYS 37 -14.910 8.518 -24.618 260 HB3 CYS 37 2HB CYS 37 -15.715 8.435 -23.054 261 H GLY 38 H GLY 38 -16.070 4.757 -24.155 262 HA2 GLY 38 1HA GLY 38 -16.146 3.020 -25.860 263 HA3 GLY 38 2HA GLY 38 -15.553 4.210 -27.010 264 H HIS 39 H HIS 39 -14.433 3.379 -23.740 265 HA HIS 39 HA HIS 39 -12.043 2.128 -24.770 266 HB2 HIS 39 1HB HIS 39 -11.918 4.786 -23.336 267 HB3 HIS 39 2HB HIS 39 -10.531 3.719 -23.534 268 HD2 HIS 39 2HD HIS 39 -10.287 3.099 -26.541 269 HE1 HIS 39 1HE HIS 39 -11.245 7.150 -27.359 270 HE2 HIS 39 2HE HIS 39 -10.348 4.994 -28.301 271 H SER 40 H SER 40 -11.107 0.770 -23.307 272 HA SER 40 HA SER 40 -12.490 0.516 -20.734 273 HB2 SER 40 1HB SER 40 -10.563 -1.548 -21.706 274 HB3 SER 40 2HB SER 40 -12.062 -1.749 -20.799 275 HG SER 40 HG SER 40 -11.648 -1.797 -23.479 276 H PHE 41 H PHE 41 -11.173 -0.162 -18.853 277 HA PHE 41 HA PHE 41 -8.364 0.431 -18.853 278 HB2 PHE 41 1HB PHE 41 -10.233 2.281 -17.357 279 HB3 PHE 41 2HB PHE 41 -8.476 2.302 -17.262 280 HD1 PHE 41 2HD PHE 41 -11.337 2.819 -19.549 281 HD2 PHE 41 1HD PHE 41 -7.194 3.478 -18.832 282 HE1 PHE 41 2HE PHE 41 -11.260 4.376 -21.452 283 HE2 PHE 41 1HE PHE 41 -7.110 5.037 -20.734 284 HZ PHE 41 HZ PHE 41 -9.144 5.487 -22.047 285 H CYS 42 H CYS 42 -7.728 0.677 -16.315 286 HA CYS 42 HA CYS 42 -8.745 -1.783 -15.122 287 HB2 CYS 42 1HB CYS 42 -6.379 -0.038 -14.407 288 HB3 CYS 42 2HB CYS 42 -6.814 -1.523 -13.566 289 H GLN 43 H GLN 43 -9.974 -1.863 -13.339 290 HA GLN 43 HA GLN 43 -11.504 0.197 -12.432 291 HB2 GLN 43 1HB GLN 43 -12.013 -2.063 -11.803 292 HB3 GLN 43 2HB GLN 43 -10.507 -2.209 -10.907 293 HG2 GLN 43 1HG GLN 43 -12.129 -1.920 -9.267 294 HG3 GLN 43 2HG GLN 43 -11.397 -0.325 -9.439 295 HE21 GLN 43 1HE2 GLN 43 -12.636 1.361 -10.024 296 HE22 GLN 43 2HE2 GLN 43 -14.324 1.260 -10.380 297 H ALA 44 H ALA 44 -8.184 -0.378 -11.732 298 HA ALA 44 HA ALA 44 -8.190 1.504 -9.492 299 HB1 ALA 44 3HB ALA 44 -5.801 0.037 -10.578 300 HB2 ALA 44 1HB ALA 44 -6.017 0.751 -8.980 301 HB3 ALA 44 2HB ALA 44 -6.924 -0.694 -9.431 302 H CYS 45 H CYS 45 -6.293 1.013 -12.479 303 HA CYS 45 HA CYS 45 -4.904 3.345 -12.591 304 HB2 CYS 45 1HB CYS 45 -6.258 1.902 -14.877 305 HB3 CYS 45 2HB CYS 45 -5.050 3.165 -15.086 306 H LEU 46 H LEU 46 -8.301 2.883 -13.401 307 HA LEU 46 HA LEU 46 -8.764 5.436 -14.503 308 HB2 LEU 46 1HB LEU 46 -10.418 3.224 -13.450 309 HB3 LEU 46 2HB LEU 46 -11.178 4.813 -13.509 310 HG LEU 46 HG LEU 46 -9.870 3.603 -15.927 311 HD11 LEU 46 1HD1 LEU 46 -12.751 3.291 -15.097 312 HD12 LEU 46 2HD1 LEU 46 -11.539 2.010 -15.078 313 HD13 LEU 46 3HD1 LEU 46 -12.026 2.740 -16.608 314 HD21 LEU 46 3HD2 LEU 46 -10.491 6.066 -15.752 315 HD22 LEU 46 1HD2 LEU 46 -12.171 5.528 -15.762 316 HD23 LEU 46 2HD2 LEU 46 -11.125 5.177 -17.138 317 H THR 47 H THR 47 -9.151 4.179 -11.208 318 HA THR 47 HA THR 47 -10.153 6.583 -10.098 319 HB THR 47 HB THR 47 -8.730 4.287 -8.737 320 HG1 THR 47 1HG THR 47 -11.455 4.863 -9.291 321 HG21 THR 47 3HG2 THR 47 -10.631 6.052 -7.294 322 HG22 THR 47 1HG2 THR 47 -9.019 6.690 -7.616 323 HG23 THR 47 2HG2 THR 47 -9.210 5.195 -6.700 324 H ALA 48 H ALA 48 -6.896 5.189 -10.264 325 HA ALA 48 HA ALA 48 -5.612 7.212 -8.768 326 HB1 ALA 48 3HB ALA 48 -4.787 4.955 -10.456 327 HB2 ALA 48 1HB ALA 48 -3.632 6.285 -10.369 328 HB3 ALA 48 2HB ALA 48 -4.174 5.489 -8.891 329 H ASN 49 H ASN 49 -6.021 6.750 -12.268 330 HA ASN 49 HA ASN 49 -4.545 8.932 -13.152 331 HB2 ASN 49 1HB ASN 49 -5.610 7.072 -14.539 332 HB3 ASN 49 2HB ASN 49 -7.101 8.006 -14.462 333 HD21 ASN 49 1HD2 ASN 49 -3.695 8.249 -15.369 334 HD22 ASN 49 2HD2 ASN 49 -3.938 9.362 -16.668 335 H HIS 50 H HIS 50 -7.956 8.755 -12.203 336 HA HIS 50 HA HIS 50 -8.724 11.344 -12.869 337 HB2 HIS 50 1HB HIS 50 -9.685 9.741 -10.491 338 HB3 HIS 50 2HB HIS 50 -10.541 11.064 -11.278 339 HD2 HIS 50 2HD HIS 50 -9.658 9.537 -14.329 340 HE1 HIS 50 1HE HIS 50 -12.651 6.875 -12.933 341 HE2 HIS 50 2HE HIS 50 -11.249 7.580 -14.903 342 H LYS 51 H LYS 51 -7.855 10.214 -9.596 343 HA LYS 51 HA LYS 51 -7.747 12.631 -8.313 344 HB2 LYS 51 1HB LYS 51 -5.923 10.252 -7.915 345 HB3 LYS 51 2HB LYS 51 -6.088 11.585 -6.780 346 HG2 LYS 51 1HG LYS 51 -8.152 10.914 -6.073 347 HG3 LYS 51 2HG LYS 51 -8.543 10.129 -7.605 348 HD2 LYS 51 1HD LYS 51 -8.215 8.306 -6.236 349 HD3 LYS 51 2HD LYS 51 -6.604 8.508 -6.928 350 HE2 LYS 51 1HE LYS 51 -6.049 8.325 -4.722 351 HE3 LYS 51 2HE LYS 51 -6.286 10.070 -4.819 352 HZ1 LYS 51 3HZ LYS 51 -8.767 8.958 -4.280 353 HZ2 LYS 51 1HZ LYS 51 -7.798 9.868 -3.233 354 HZ3 LYS 51 2HZ LYS 51 -7.676 8.181 -3.247 355 H LYS 52 H LYS 52 -5.558 11.389 -10.678 356 HA LYS 52 HA LYS 52 -3.293 12.962 -10.080 357 HB2 LYS 52 1HB LYS 52 -3.724 10.950 -11.787 358 HB3 LYS 52 2HB LYS 52 -3.893 12.289 -12.914 359 HG2 LYS 52 1HG LYS 52 -1.529 12.286 -11.124 360 HG3 LYS 52 2HG LYS 52 -1.567 11.120 -12.449 361 HD2 LYS 52 1HD LYS 52 -0.667 12.823 -13.624 362 HD3 LYS 52 2HD LYS 52 -2.345 13.356 -13.748 363 HE2 LYS 52 1HE LYS 52 -1.395 15.283 -12.983 364 HE3 LYS 52 2HE LYS 52 -1.768 14.514 -11.441 365 HZ1 LYS 52 3HZ LYS 52 0.730 15.307 -12.420 366 HZ2 LYS 52 1HZ LYS 52 0.747 13.621 -12.280 367 HZ3 LYS 52 2HZ LYS 52 0.371 14.578 -10.937 368 H SER 53 H SER 53 -5.835 13.441 -12.536 369 HA SER 53 HA SER 53 -4.939 16.096 -13.139 370 HB2 SER 53 1HB SER 53 -7.070 16.186 -14.494 371 HB3 SER 53 2HB SER 53 -5.982 14.862 -14.910 372 HG SER 53 HG SER 53 -7.606 13.603 -14.520 373 H MET 54 H MET 54 -5.325 15.987 -10.437 374 HA MET 54 HA MET 54 -7.767 17.592 -10.050 375 HB2 MET 54 1HB MET 54 -6.367 15.740 -8.117 376 HB3 MET 54 2HB MET 54 -7.650 16.850 -7.653 377 HG2 MET 54 1HG MET 54 -7.943 14.672 -9.707 378 HG3 MET 54 2HG MET 54 -8.409 14.524 -8.014 379 HE1 MET 54 3HE MET 54 -11.204 15.427 -11.143 380 HE2 MET 54 1HE MET 54 -9.562 15.904 -11.576 381 HE3 MET 54 2HE MET 54 -9.870 14.290 -10.936 382 H LEU 55 H LEU 55 -4.341 17.278 -9.458 383 HA LEU 55 HA LEU 55 -4.294 19.816 -8.000 384 HB2 LEU 55 1HB LEU 55 -2.148 19.260 -7.265 385 HB3 LEU 55 2HB LEU 55 -3.050 17.747 -7.213 386 HG LEU 55 HG LEU 55 -1.207 18.492 -9.476 387 HD11 LEU 55 1HD1 LEU 55 0.416 16.965 -8.418 388 HD12 LEU 55 2HD1 LEU 55 -0.624 16.879 -6.997 389 HD13 LEU 55 3HD1 LEU 55 0.113 18.413 -7.457 390 HD21 LEU 55 3HD2 LEU 55 -2.919 16.195 -8.798 391 HD22 LEU 55 1HD2 LEU 55 -1.295 15.796 -9.358 392 HD23 LEU 55 2HD2 LEU 55 -2.359 16.775 -10.368 393 H ASP 56 H ASP 56 -3.255 18.326 -10.995 394 HA ASP 56 HA ASP 56 -1.794 20.689 -11.833 395 HB2 ASP 56 1HB ASP 56 -1.296 18.158 -12.382 396 HB3 ASP 56 2HB ASP 56 -2.441 18.436 -13.691 397 H LYS 57 H LYS 57 -4.370 18.785 -13.403 398 HA LYS 57 HA LYS 57 -5.283 21.171 -14.788 399 HB2 LYS 57 1HB LYS 57 -6.268 18.316 -14.942 400 HB3 LYS 57 2HB LYS 57 -6.779 19.631 -15.992 401 HG2 LYS 57 1HG LYS 57 -3.928 18.699 -15.781 402 HG3 LYS 57 2HG LYS 57 -5.078 18.070 -16.964 403 HD2 LYS 57 1HD LYS 57 -5.438 20.578 -17.551 404 HD3 LYS 57 2HD LYS 57 -3.884 20.806 -16.747 405 HE2 LYS 57 1HE LYS 57 -3.366 20.519 -19.021 406 HE3 LYS 57 2HE LYS 57 -3.004 18.968 -18.266 407 HZ1 LYS 57 3HZ LYS 57 -5.142 18.140 -19.041 408 HZ2 LYS 57 1HZ LYS 57 -4.196 18.672 -20.338 409 HZ3 LYS 57 2HZ LYS 57 -5.475 19.626 -19.777 410 H GLY 58 H GLY 58 -6.791 18.640 -12.767 411 HA2 GLY 58 1HA GLY 58 -8.107 19.419 -10.831 412 HA3 GLY 58 2HA GLY 58 -8.728 20.687 -11.877 413 H GLU 59 H GLU 59 -9.165 19.065 -14.181 414 HA GLU 59 HA GLU 59 -11.475 17.510 -13.228 415 HB2 GLU 59 1HB GLU 59 -11.001 18.907 -15.865 416 HB3 GLU 59 2HB GLU 59 -12.383 17.872 -15.534 417 HG2 GLU 59 1HG GLU 59 -13.101 20.105 -15.252 418 HG3 GLU 59 2HG GLU 59 -12.965 19.401 -13.642 419 H SER 60 H SER 60 -11.785 15.431 -13.890 420 HA SER 60 HA SER 60 -9.497 14.145 -15.175 421 HB2 SER 60 1HB SER 60 -10.258 13.187 -13.056 422 HB3 SER 60 2HB SER 60 -11.873 12.953 -13.724 423 HG SER 60 HG SER 60 -9.825 11.844 -15.201 424 H SER 61 H SER 61 -9.631 12.954 -17.040 425 HA SER 61 HA SER 61 -12.159 12.487 -18.345 426 HB2 SER 61 1HB SER 61 -10.244 14.586 -19.331 427 HB3 SER 61 2HB SER 61 -11.290 13.719 -20.456 428 HG SER 61 HG SER 61 -12.117 15.757 -19.531 429 H CYS 62 H CYS 62 -12.019 11.011 -20.053 430 HA CYS 62 HA CYS 62 -10.358 8.923 -19.934 431 HB2 CYS 62 1HB CYS 62 -12.305 9.264 -21.532 432 HB3 CYS 62 2HB CYS 62 -11.160 10.045 -22.618 433 HA PRO 63 HA PRO 63 -6.332 10.672 -20.758 434 HB2 PRO 63 1HB PRO 63 -4.960 8.365 -20.349 435 HB3 PRO 63 2HB PRO 63 -5.574 9.365 -19.027 436 HG2 PRO 63 1HG PRO 63 -6.740 6.879 -20.220 437 HG3 PRO 63 2HG PRO 63 -6.599 7.341 -18.514 438 HD2 PRO 63 1HD PRO 63 -8.906 7.598 -19.908 439 HD3 PRO 63 2HD PRO 63 -8.450 8.712 -18.603 440 H VAL 64 H VAL 64 -8.195 8.761 -22.661 441 HA VAL 64 HA VAL 64 -6.056 8.272 -24.624 442 HB VAL 64 HB VAL 64 -8.700 6.926 -24.167 443 HG11 VAL 64 1HG1 VAL 64 -8.372 5.728 -26.304 444 HG12 VAL 64 2HG1 VAL 64 -8.689 7.450 -26.525 445 HG13 VAL 64 3HG1 VAL 64 -7.047 6.826 -26.687 446 HG21 VAL 64 3HG2 VAL 64 -6.721 5.084 -24.815 447 HG22 VAL 64 1HG2 VAL 64 -5.902 6.285 -23.817 448 HG23 VAL 64 2HG2 VAL 64 -7.332 5.455 -23.203 449 H CYS 65 H CYS 65 -9.481 9.249 -24.451 450 HA CYS 65 HA CYS 65 -9.071 10.816 -26.910 451 HB2 CYS 65 1HB CYS 65 -11.502 10.682 -27.231 452 HB3 CYS 65 2HB CYS 65 -10.784 9.078 -27.122 453 H ARG 66 H ARG 66 -8.641 11.449 -23.931 454 HA ARG 66 HA ARG 66 -9.270 13.072 -22.388 455 HB2 ARG 66 1HB ARG 66 -7.668 13.959 -24.340 456 HB3 ARG 66 2HB ARG 66 -9.032 15.036 -24.606 457 HG2 ARG 66 1HG ARG 66 -7.514 16.156 -23.174 458 HG3 ARG 66 2HG ARG 66 -8.894 15.667 -22.189 459 HD2 ARG 66 1HD ARG 66 -7.207 14.983 -20.820 460 HD3 ARG 66 2HD ARG 66 -7.387 13.527 -21.797 461 HE ARG 66 HE ARG 66 -5.268 13.865 -22.551 462 HH11 ARG 66 1HH1 ARG 66 -6.545 16.917 -21.468 463 HH12 ARG 66 2HH1 ARG 66 -5.069 17.781 -21.744 464 HH21 ARG 66 1HH2 ARG 66 -3.319 14.991 -22.920 465 HH22 ARG 66 2HH2 ARG 66 -3.235 16.685 -22.571 466 H ILE 67 H ILE 67 -11.611 12.030 -22.923 467 HA ILE 67 HA ILE 67 -13.393 14.163 -23.858 468 HB ILE 67 HB ILE 67 -13.595 11.769 -24.720 469 HG12 ILE 67 1HG1 ILE 67 -16.097 12.874 -23.441 470 HG13 ILE 67 2HG1 ILE 67 -15.344 13.604 -24.855 471 HG21 ILE 67 1HG2 ILE 67 -14.889 10.228 -23.316 472 HG22 ILE 67 2HG2 ILE 67 -13.327 10.620 -22.598 473 HG23 ILE 67 3HG2 ILE 67 -14.796 11.378 -21.982 474 HD11 ILE 67 3HD1 ILE 67 -16.546 10.860 -24.634 475 HD12 ILE 67 1HD1 ILE 67 -17.121 12.218 -25.599 476 HD13 ILE 67 2HD1 ILE 67 -15.608 11.415 -26.020 477 H SER 68 H SER 68 -15.165 14.861 -22.612 478 HA SER 68 HA SER 68 -14.643 14.869 -19.768 479 HB2 SER 68 1HB SER 68 -16.403 16.396 -21.626 480 HB3 SER 68 2HB SER 68 -16.885 16.308 -19.931 481 HG SER 68 HG SER 68 -15.153 17.944 -20.956 482 H TYR 69 H TYR 69 -15.716 13.772 -18.237 483 HA TYR 69 HA TYR 69 -18.362 12.835 -18.447 484 HB2 TYR 69 1HB TYR 69 -18.116 10.522 -18.846 485 HB3 TYR 69 2HB TYR 69 -17.126 11.298 -20.077 486 HD1 TYR 69 2HD TYR 69 -14.610 11.827 -18.999 487 HD2 TYR 69 1HD TYR 69 -17.188 8.580 -18.040 488 HE1 TYR 69 2HE TYR 69 -12.667 10.505 -18.275 489 HE2 TYR 69 1HE TYR 69 -15.251 7.250 -17.312 490 HH TYR 69 HH TYR 69 -12.734 8.022 -16.383 491 H GLN 70 H GLN 70 -18.881 13.165 -16.389 492 HA GLN 70 HA GLN 70 -17.228 13.236 -14.198 493 HB2 GLN 70 1HB GLN 70 -19.753 13.841 -14.468 494 HB3 GLN 70 2HB GLN 70 -20.024 12.196 -13.909 495 HG2 GLN 70 1HG GLN 70 -20.148 13.476 -11.978 496 HG3 GLN 70 2HG GLN 70 -18.517 12.808 -11.941 497 HE21 GLN 70 1HE2 GLN 70 -20.050 15.408 -11.081 498 HE22 GLN 70 2HE2 GLN 70 -18.907 16.646 -11.465 499 HA PRO 71 HA PRO 71 -16.035 9.014 -13.608 500 HB2 PRO 71 1HB PRO 71 -14.884 9.333 -11.169 501 HB3 PRO 71 2HB PRO 71 -14.114 9.858 -12.671 502 HG2 PRO 71 1HG PRO 71 -15.645 11.467 -10.663 503 HG3 PRO 71 2HG PRO 71 -14.134 11.868 -11.501 504 HD2 PRO 71 1HD PRO 71 -16.533 12.856 -12.273 505 HD3 PRO 71 2HD PRO 71 -15.225 12.518 -13.424 506 H GLU 72 H GLU 72 -17.443 10.728 -10.810 507 HA GLU 72 HA GLU 72 -18.245 8.639 -9.259 508 HB2 GLU 72 1HB GLU 72 -18.630 11.254 -9.073 509 HB3 GLU 72 2HB GLU 72 -20.222 10.833 -9.687 510 HG2 GLU 72 1HG GLU 72 -20.634 9.396 -7.822 511 HG3 GLU 72 2HG GLU 72 -18.977 9.583 -7.252 512 H ASN 73 H ASN 73 -19.695 9.726 -12.255 513 HA ASN 73 HA ASN 73 -22.104 8.271 -12.079 514 HB2 ASN 73 1HB ASN 73 -20.557 9.563 -14.279 515 HB3 ASN 73 2HB ASN 73 -21.826 8.424 -14.718 516 HD21 ASN 73 1HD2 ASN 73 -21.427 10.986 -12.290 517 HD22 ASN 73 2HD2 ASN 73 -22.917 11.785 -12.645 518 H ILE 74 H ILE 74 -19.347 7.548 -14.222 519 HA ILE 74 HA ILE 74 -19.878 5.119 -15.140 520 HB ILE 74 HB ILE 74 -17.239 5.843 -13.862 521 HG12 ILE 74 1HG1 ILE 74 -16.807 6.113 -16.489 522 HG13 ILE 74 2HG1 ILE 74 -18.532 6.467 -16.470 523 HG21 ILE 74 1HG2 ILE 74 -18.141 3.405 -15.054 524 HG22 ILE 74 2HG2 ILE 74 -16.881 4.121 -16.058 525 HG23 ILE 74 3HG2 ILE 74 -16.567 3.786 -14.356 526 HD11 ILE 74 3HD1 ILE 74 -17.529 7.981 -14.394 527 HD12 ILE 74 1HD1 ILE 74 -16.292 8.098 -15.645 528 HD13 ILE 74 2HD1 ILE 74 -17.956 8.556 -16.006 529 H ARG 75 H ARG 75 -20.072 3.032 -14.487 530 HA ARG 75 HA ARG 75 -19.321 2.228 -11.811 531 HB2 ARG 75 1HB ARG 75 -21.500 1.594 -11.063 532 HB3 ARG 75 2HB ARG 75 -21.592 3.274 -11.576 533 HG2 ARG 75 1HG ARG 75 -22.363 2.230 -13.845 534 HG3 ARG 75 2HG ARG 75 -22.760 0.840 -12.832 535 HD2 ARG 75 1HD ARG 75 -24.124 2.303 -11.399 536 HD3 ARG 75 2HD ARG 75 -23.754 3.663 -12.458 537 HE ARG 75 HE ARG 75 -24.850 1.610 -14.010 538 HH11 ARG 75 1HH1 ARG 75 -25.792 3.825 -11.494 539 HH12 ARG 75 2HH1 ARG 75 -27.450 3.888 -11.990 540 HH21 ARG 75 1HH2 ARG 75 -27.031 1.685 -14.673 541 HH22 ARG 75 2HH2 ARG 75 -28.155 2.670 -13.798 542 HA PRO 76 HA PRO 76 -18.650 -1.575 -13.920 543 HB2 PRO 76 1HB PRO 76 -18.624 -3.262 -11.793 544 HB3 PRO 76 2HB PRO 76 -17.300 -2.147 -12.151 545 HG2 PRO 76 1HG PRO 76 -19.537 -1.862 -10.182 546 HG3 PRO 76 2HG PRO 76 -17.817 -1.481 -9.983 547 HD2 PRO 76 1HD PRO 76 -19.680 0.418 -10.489 548 HD3 PRO 76 2HD PRO 76 -18.009 0.540 -11.076 549 H ASN 77 H ASN 77 -19.559 -3.842 -14.041 550 HA ASN 77 HA ASN 77 -22.314 -3.746 -14.567 551 HB2 ASN 77 1HB ASN 77 -20.546 -6.171 -14.164 552 HB3 ASN 77 2HB ASN 77 -22.140 -6.181 -14.914 553 HD21 ASN 77 1HD2 ASN 77 -18.881 -6.039 -15.473 554 HD22 ASN 77 2HD2 ASN 77 -18.905 -5.437 -17.093 555 H ARG 78 H ARG 78 -20.607 -5.580 -12.024 556 HA ARG 78 HA ARG 78 -22.678 -4.980 -10.112 557 HB2 ARG 78 1HB ARG 78 -23.335 -7.061 -11.611 558 HB3 ARG 78 2HB ARG 78 -22.237 -7.903 -10.526 559 HG2 ARG 78 1HG ARG 78 -24.320 -6.172 -9.317 560 HG3 ARG 78 2HG ARG 78 -24.823 -7.705 -10.032 561 HD2 ARG 78 1HD ARG 78 -22.484 -7.662 -8.184 562 HD3 ARG 78 2HD ARG 78 -24.110 -7.561 -7.509 563 HE ARG 78 HE ARG 78 -22.847 -9.879 -8.534 564 HH11 ARG 78 1HH1 ARG 78 -25.933 -8.274 -8.376 565 HH12 ARG 78 2HH1 ARG 78 -26.848 -9.740 -8.504 566 HH21 ARG 78 1HH2 ARG 78 -24.041 -11.815 -8.703 567 HH22 ARG 78 2HH2 ARG 78 -25.771 -11.753 -8.690 568 H HIS 79 H HIS 79 -21.973 -5.165 -8.030 569 HA HIS 79 HA HIS 79 -19.179 -5.363 -7.589 570 HB2 HIS 79 1HB HIS 79 -21.578 -5.062 -5.816 571 HB3 HIS 79 2HB HIS 79 -20.004 -5.403 -5.103 572 HD2 HIS 79 2HD HIS 79 -20.311 -2.915 -8.108 573 HE1 HIS 79 1HE HIS 79 -19.294 -0.728 -4.617 574 HE2 HIS 79 2HE HIS 79 -19.702 -0.612 -7.100 575 H VAL 80 H VAL 80 -18.145 -7.245 -7.795 576 HA VAL 80 HA VAL 80 -19.231 -9.575 -6.355 577 HB VAL 80 HB VAL 80 -18.340 -11.058 -8.073 578 HG11 VAL 80 1HG1 VAL 80 -20.350 -8.981 -8.743 579 HG12 VAL 80 2HG1 VAL 80 -19.813 -10.051 -10.039 580 HG13 VAL 80 3HG1 VAL 80 -20.535 -10.727 -8.579 581 HG21 VAL 80 3HG2 VAL 80 -16.525 -9.422 -8.763 582 HG22 VAL 80 1HG2 VAL 80 -17.314 -10.316 -10.062 583 HG23 VAL 80 2HG2 VAL 80 -17.752 -8.635 -9.755 584 H ALA 81 H ALA 81 -17.700 -11.006 -5.453 585 HA ALA 81 HA ALA 81 -15.105 -9.740 -4.928 586 HB1 ALA 81 3HB ALA 81 -15.059 -11.569 -3.091 587 HB2 ALA 81 1HB ALA 81 -16.100 -10.161 -2.882 588 HB3 ALA 81 2HB ALA 81 -16.788 -11.695 -3.415 589 H ASN 82 H ASN 82 -15.504 -11.053 -7.417 590 HA ASN 82 HA ASN 82 -14.237 -13.651 -7.224 591 HB2 ASN 82 1HB ASN 82 -15.438 -12.019 -9.418 592 HB3 ASN 82 2HB ASN 82 -14.275 -13.270 -9.848 593 HD21 ASN 82 1HD2 ASN 82 -16.646 -13.636 -10.862 594 HD22 ASN 82 2HD2 ASN 82 -17.543 -14.852 -10.024 595 H ILE 83 H ILE 83 -12.249 -12.951 -6.247 596 HA ILE 83 HA ILE 83 -10.474 -11.349 -7.930 597 HB ILE 83 HB ILE 83 -10.056 -12.413 -5.134 598 HG12 ILE 83 1HG1 ILE 83 -10.509 -9.556 -5.999 599 HG13 ILE 83 2HG1 ILE 83 -11.819 -10.613 -5.484 600 HG21 ILE 83 1HG2 ILE 83 -8.391 -10.215 -6.172 601 HG22 ILE 83 2HG2 ILE 83 -7.965 -11.568 -5.126 602 HG23 ILE 83 3HG2 ILE 83 -8.089 -11.806 -6.869 603 HD11 ILE 83 3HD1 ILE 83 -9.803 -9.205 -3.910 604 HD12 ILE 83 1HD1 ILE 83 -11.416 -9.762 -3.463 605 HD13 ILE 83 2HD1 ILE 83 -10.056 -10.884 -3.433 606 H VAL 84 H VAL 84 -9.012 -12.248 -9.216 607 HA VAL 84 HA VAL 84 -8.248 -15.054 -8.724 608 HB VAL 84 HB VAL 84 -7.860 -15.268 -11.146 609 HG11 VAL 84 1HG1 VAL 84 -10.652 -14.270 -10.624 610 HG12 VAL 84 2HG1 VAL 84 -10.139 -15.493 -11.788 611 HG13 VAL 84 3HG1 VAL 84 -10.054 -15.830 -10.058 612 HG21 VAL 84 3HG2 VAL 84 -7.393 -13.200 -12.026 613 HG22 VAL 84 1HG2 VAL 84 -9.080 -13.380 -12.506 614 HG23 VAL 84 2HG2 VAL 84 -8.663 -12.398 -11.101 615 H GLU 85 H GLU 85 -6.238 -15.196 -7.990 616 HA GLU 85 HA GLU 85 -4.236 -13.279 -8.991 617 HB2 GLU 85 1HB GLU 85 -3.010 -13.646 -6.900 618 HB3 GLU 85 2HB GLU 85 -4.634 -13.049 -6.592 619 HG2 GLU 85 1HG GLU 85 -4.325 -14.714 -5.003 620 HG3 GLU 85 2HG GLU 85 -5.283 -15.493 -6.261 Start of MODEL 15 1 H1 GLY 1 H GLY 1 24.992 -11.283 -8.164 2 HA2 GLY 1 1HA GLY 1 26.919 -12.156 -9.881 3 HA3 GLY 1 2HA GLY 1 27.835 -11.594 -8.490 4 H SER 2 H SER 2 24.811 -13.433 -8.941 5 HA SER 2 HA SER 2 24.840 -14.947 -6.687 6 HB2 SER 2 1HB SER 2 24.005 -15.719 -9.483 7 HB3 SER 2 2HB SER 2 23.721 -16.759 -8.088 8 HG SER 2 HG SER 2 22.767 -14.626 -7.224 9 H SER 3 H SER 3 25.441 -17.198 -6.288 10 HA SER 3 HA SER 3 28.092 -17.779 -7.416 11 HB2 SER 3 1HB SER 3 26.854 -18.831 -4.861 12 HB3 SER 3 2HB SER 3 28.518 -19.069 -5.395 13 HG SER 3 HG SER 3 27.861 -17.238 -3.837 14 H GLY 4 H GLY 4 25.023 -19.322 -6.521 15 HA2 GLY 4 1HA GLY 4 24.329 -20.848 -8.492 16 HA3 GLY 4 2HA GLY 4 25.811 -21.694 -8.072 17 H SER 5 H SER 5 22.503 -21.178 -7.300 18 HA SER 5 HA SER 5 22.740 -23.064 -5.047 19 HB2 SER 5 1HB SER 5 20.598 -20.963 -5.457 20 HB3 SER 5 2HB SER 5 20.754 -22.041 -4.070 21 HG SER 5 HG SER 5 22.857 -20.315 -4.808 22 H SER 6 H SER 6 20.592 -24.251 -4.663 23 HA SER 6 HA SER 6 19.949 -25.640 -7.099 24 HB2 SER 6 1HB SER 6 19.070 -25.975 -4.231 25 HB3 SER 6 2HB SER 6 18.424 -26.965 -5.539 26 HG SER 6 HG SER 6 20.283 -27.856 -4.406 27 H GLY 7 H GLY 7 18.148 -25.493 -8.316 28 HA2 GLY 7 1HA GLY 7 15.605 -24.807 -7.684 29 HA3 GLY 7 2HA GLY 7 16.393 -23.246 -7.859 30 H MET 8 H MET 8 14.278 -23.974 -9.479 31 HA MET 8 HA MET 8 15.520 -24.675 -12.046 32 HB2 MET 8 1HB MET 8 12.743 -24.868 -10.965 33 HB3 MET 8 2HB MET 8 12.960 -24.688 -12.701 34 HG2 MET 8 1HG MET 8 12.767 -27.010 -12.191 35 HG3 MET 8 2HG MET 8 14.427 -26.677 -12.679 36 HE1 MET 8 3HE MET 8 13.246 -29.199 -11.258 37 HE2 MET 8 1HE MET 8 15.001 -29.260 -11.421 38 HE3 MET 8 2HE MET 8 14.250 -29.570 -9.856 39 H ALA 9 H ALA 9 15.299 -23.360 -13.854 40 HA ALA 9 HA ALA 9 14.468 -20.593 -13.274 41 HB1 ALA 9 3HB ALA 9 16.481 -21.535 -15.313 42 HB2 ALA 9 1HB ALA 9 16.067 -19.861 -14.941 43 HB3 ALA 9 2HB ALA 9 16.870 -20.861 -13.730 44 H SER 10 H SER 10 12.536 -22.451 -14.023 45 HA SER 10 HA SER 10 12.054 -22.014 -16.873 46 HB2 SER 10 1HB SER 10 10.600 -23.720 -14.839 47 HB3 SER 10 2HB SER 10 10.153 -23.595 -16.540 48 HG SER 10 HG SER 10 12.433 -24.271 -16.918 49 H GLY 11 H GLY 11 11.548 -19.804 -16.858 50 HA2 GLY 11 1HA GLY 11 9.482 -18.755 -15.159 51 HA3 GLY 11 2HA GLY 11 10.266 -17.916 -16.489 52 H ILE 12 H ILE 12 8.084 -20.703 -16.036 53 HA ILE 12 HA ILE 12 6.597 -19.801 -18.408 54 HB ILE 12 HB ILE 12 5.690 -22.060 -18.552 55 HG12 ILE 12 1HG1 ILE 12 7.077 -23.732 -16.979 56 HG13 ILE 12 2HG1 ILE 12 7.048 -22.325 -15.921 57 HG21 ILE 12 1HG2 ILE 12 8.269 -21.284 -19.130 58 HG22 ILE 12 2HG2 ILE 12 8.483 -22.820 -18.291 59 HG23 ILE 12 3HG2 ILE 12 7.463 -22.735 -19.727 60 HD11 ILE 12 3HD1 ILE 12 5.165 -24.177 -15.867 61 HD12 ILE 12 1HD1 ILE 12 4.816 -22.476 -15.558 62 HD13 ILE 12 2HD1 ILE 12 4.489 -23.169 -17.147 63 H LEU 13 H LEU 13 4.393 -19.497 -18.338 64 HA LEU 13 HA LEU 13 3.140 -19.633 -15.676 65 HB2 LEU 13 1HB LEU 13 3.245 -17.434 -17.661 66 HB3 LEU 13 2HB LEU 13 1.732 -17.663 -16.787 67 HG LEU 13 HG LEU 13 3.091 -15.963 -15.718 68 HD11 LEU 13 1HD1 LEU 13 2.175 -18.373 -14.443 69 HD12 LEU 13 2HD1 LEU 13 2.107 -16.705 -13.874 70 HD13 LEU 13 3HD1 LEU 13 3.540 -17.684 -13.565 71 HD21 LEU 13 3HD2 LEU 13 5.304 -16.136 -15.763 72 HD22 LEU 13 1HD2 LEU 13 5.210 -17.823 -16.268 73 HD23 LEU 13 2HD2 LEU 13 5.185 -17.414 -14.553 74 H VAL 14 H VAL 14 0.848 -19.972 -15.650 75 HA VAL 14 HA VAL 14 -0.052 -21.561 -17.941 76 HB VAL 14 HB VAL 14 -1.172 -21.388 -15.140 77 HG11 VAL 14 1HG1 VAL 14 -2.866 -21.894 -16.875 78 HG12 VAL 14 2HG1 VAL 14 -1.904 -23.291 -17.362 79 HG13 VAL 14 3HG1 VAL 14 -2.608 -23.225 -15.746 80 HG21 VAL 14 3HG2 VAL 14 -0.334 -23.826 -15.149 81 HG22 VAL 14 1HG2 VAL 14 0.670 -23.316 -16.506 82 HG23 VAL 14 2HG2 VAL 14 0.846 -22.533 -14.936 83 H ASN 15 H ASN 15 -0.741 -19.954 -19.352 84 HA ASN 15 HA ASN 15 -3.399 -19.066 -19.041 85 HB2 ASN 15 1HB ASN 15 -2.494 -17.419 -17.520 86 HB3 ASN 15 2HB ASN 15 -1.253 -16.965 -18.685 87 HD21 ASN 15 1HD2 ASN 15 -4.782 -17.374 -18.689 88 HD22 ASN 15 2HD2 ASN 15 -5.123 -15.868 -19.464 89 H VAL 16 H VAL 16 -4.104 -17.687 -20.877 90 HA VAL 16 HA VAL 16 -2.634 -18.456 -23.281 91 HB VAL 16 HB VAL 16 -4.608 -18.037 -24.518 92 HG11 VAL 16 1HG1 VAL 16 -4.877 -20.094 -23.461 93 HG12 VAL 16 2HG1 VAL 16 -5.116 -19.357 -21.875 94 HG13 VAL 16 3HG1 VAL 16 -6.382 -19.250 -23.099 95 HG21 VAL 16 3HG2 VAL 16 -5.333 -15.937 -23.743 96 HG22 VAL 16 1HG2 VAL 16 -6.643 -17.051 -23.348 97 HG23 VAL 16 2HG2 VAL 16 -5.526 -16.521 -22.090 98 H LYS 17 H LYS 17 -3.221 -16.647 -25.121 99 HA LYS 17 HA LYS 17 -1.662 -14.345 -24.294 100 HB2 LYS 17 1HB LYS 17 -2.715 -15.243 -26.978 101 HB3 LYS 17 2HB LYS 17 -1.807 -13.755 -26.743 102 HG2 LYS 17 1HG LYS 17 -0.109 -15.128 -27.355 103 HG3 LYS 17 2HG LYS 17 -0.083 -15.415 -25.614 104 HD2 LYS 17 1HD LYS 17 -1.835 -17.292 -26.273 105 HD3 LYS 17 2HD LYS 17 -1.001 -17.180 -27.824 106 HE2 LYS 17 1HE LYS 17 0.490 -17.492 -25.235 107 HE3 LYS 17 2HE LYS 17 -0.130 -18.882 -26.125 108 HZ1 LYS 17 3HZ LYS 17 1.208 -18.306 -27.996 109 HZ2 LYS 17 1HZ LYS 17 2.211 -18.317 -26.633 110 HZ3 LYS 17 2HZ LYS 17 1.690 -16.847 -27.289 111 H GLU 18 H GLU 18 -2.794 -12.838 -23.217 112 HA GLU 18 HA GLU 18 -5.526 -12.304 -23.498 113 HB2 GLU 18 1HB GLU 18 -5.011 -10.164 -22.320 114 HB3 GLU 18 2HB GLU 18 -4.364 -11.590 -21.522 115 HG2 GLU 18 1HG GLU 18 -2.730 -9.845 -21.453 116 HG3 GLU 18 2HG GLU 18 -2.164 -11.118 -22.533 117 H GLU 19 H GLU 19 -6.635 -10.562 -24.477 118 HA GLU 19 HA GLU 19 -5.271 -9.511 -26.863 119 HB2 GLU 19 1HB GLU 19 -7.521 -9.260 -27.837 120 HB3 GLU 19 2HB GLU 19 -7.177 -10.925 -27.389 121 HG2 GLU 19 1HG GLU 19 -8.584 -9.208 -25.420 122 HG3 GLU 19 2HG GLU 19 -9.480 -9.780 -26.826 123 H VAL 20 H VAL 20 -7.289 -8.657 -24.115 124 HA VAL 20 HA VAL 20 -7.221 -5.832 -24.860 125 HB VAL 20 HB VAL 20 -8.580 -7.113 -22.486 126 HG11 VAL 20 1HG1 VAL 20 -7.978 -4.529 -22.735 127 HG12 VAL 20 2HG1 VAL 20 -9.479 -4.547 -23.662 128 HG13 VAL 20 3HG1 VAL 20 -9.471 -5.087 -21.982 129 HG21 VAL 20 3HG2 VAL 20 -9.752 -8.062 -24.222 130 HG22 VAL 20 1HG2 VAL 20 -10.640 -6.553 -24.009 131 HG23 VAL 20 2HG2 VAL 20 -9.457 -6.704 -25.308 132 H THR 21 H THR 21 -5.641 -4.575 -24.154 133 HA THR 21 HA THR 21 -4.321 -5.260 -21.608 134 HB THR 21 HB THR 21 -3.031 -3.815 -23.927 135 HG1 THR 21 1HG THR 21 -2.340 -6.436 -23.177 136 HG21 THR 21 3HG2 THR 21 -1.739 -3.218 -22.137 137 HG22 THR 21 1HG2 THR 21 -0.987 -4.764 -22.526 138 HG23 THR 21 2HG2 THR 21 -2.159 -4.659 -21.212 139 H CYS 22 H CYS 22 -3.759 -3.579 -20.215 140 HA CYS 22 HA CYS 22 -5.463 -1.268 -20.372 141 HB2 CYS 22 1HB CYS 22 -5.050 -2.393 -18.227 142 HB3 CYS 22 2HB CYS 22 -3.338 -2.001 -18.347 143 HA PRO 23 HA PRO 23 -2.496 1.259 -22.500 144 HB2 PRO 23 1HB PRO 23 -3.889 3.582 -22.313 145 HB3 PRO 23 2HB PRO 23 -4.308 2.300 -23.455 146 HG2 PRO 23 1HG PRO 23 -5.516 2.931 -20.790 147 HG3 PRO 23 2HG PRO 23 -6.322 2.495 -22.308 148 HD2 PRO 23 1HD PRO 23 -5.916 0.714 -20.309 149 HD3 PRO 23 2HD PRO 23 -5.918 0.244 -22.021 150 H ILE 24 H ILE 24 -3.194 1.241 -19.249 151 HA ILE 24 HA ILE 24 -1.488 3.559 -18.664 152 HB ILE 24 HB ILE 24 -3.469 2.039 -16.991 153 HG12 ILE 24 1HG1 ILE 24 -3.277 5.012 -17.153 154 HG13 ILE 24 2HG1 ILE 24 -3.892 4.147 -18.557 155 HG21 ILE 24 1HG2 ILE 24 -1.503 2.299 -15.607 156 HG22 ILE 24 2HG2 ILE 24 -1.403 4.009 -16.023 157 HG23 ILE 24 3HG2 ILE 24 -2.760 3.412 -15.070 158 HD11 ILE 24 3HD1 ILE 24 -5.828 4.590 -17.436 159 HD12 ILE 24 1HD1 ILE 24 -5.436 3.001 -16.781 160 HD13 ILE 24 2HD1 ILE 24 -5.073 4.454 -15.849 161 H CYS 25 H CYS 25 -2.044 0.481 -16.966 162 HA CYS 25 HA CYS 25 0.691 0.342 -16.133 163 HB2 CYS 25 1HB CYS 25 0.014 -1.860 -15.172 164 HB3 CYS 25 2HB CYS 25 -1.012 -0.524 -14.662 165 H LEU 26 H LEU 26 -1.068 -0.744 -18.863 166 HA LEU 26 HA LEU 26 -0.541 -2.025 -20.668 167 HB2 LEU 26 1HB LEU 26 2.339 -1.626 -19.922 168 HB3 LEU 26 2HB LEU 26 1.638 -1.817 -21.528 169 HG LEU 26 HG LEU 26 1.231 0.597 -19.766 170 HD11 LEU 26 1HD1 LEU 26 3.574 -0.107 -20.990 171 HD12 LEU 26 2HD1 LEU 26 3.081 1.538 -20.590 172 HD13 LEU 26 3HD1 LEU 26 2.797 0.903 -22.210 173 HD21 LEU 26 3HD2 LEU 26 -0.388 1.089 -21.202 174 HD22 LEU 26 1HD2 LEU 26 -0.024 -0.337 -22.175 175 HD23 LEU 26 2HD2 LEU 26 0.828 1.177 -22.477 176 H GLU 27 H GLU 27 -0.979 -3.411 -18.214 177 HA GLU 27 HA GLU 27 0.905 -5.658 -18.394 178 HB2 GLU 27 1HB GLU 27 -0.986 -4.748 -16.236 179 HB3 GLU 27 2HB GLU 27 -0.296 -6.365 -16.232 180 HG2 GLU 27 1HG GLU 27 1.549 -4.057 -16.509 181 HG3 GLU 27 2HG GLU 27 0.827 -4.369 -14.932 182 H LEU 28 H LEU 28 -2.544 -5.409 -17.543 183 HA LEU 28 HA LEU 28 -3.440 -6.921 -19.774 184 HB2 LEU 28 1HB LEU 28 -2.565 -8.849 -18.833 185 HB3 LEU 28 2HB LEU 28 -2.923 -8.327 -17.188 186 HG LEU 28 HG LEU 28 -5.340 -8.714 -17.664 187 HD11 LEU 28 1HD1 LEU 28 -4.399 -8.936 -20.317 188 HD12 LEU 28 2HD1 LEU 28 -6.054 -9.087 -19.727 189 HD13 LEU 28 3HD1 LEU 28 -5.028 -10.516 -19.848 190 HD21 LEU 28 3HD2 LEU 28 -5.180 -10.855 -16.961 191 HD22 LEU 28 1HD2 LEU 28 -3.470 -10.448 -16.824 192 HD23 LEU 28 2HD2 LEU 28 -4.059 -11.310 -18.245 193 H LEU 29 H LEU 29 -5.703 -7.084 -19.869 194 HA LEU 29 HA LEU 29 -7.155 -5.726 -17.697 195 HB2 LEU 29 1HB LEU 29 -7.210 -5.239 -20.639 196 HB3 LEU 29 2HB LEU 29 -8.676 -4.977 -19.696 197 HG LEU 29 HG LEU 29 -6.057 -3.513 -19.526 198 HD11 LEU 29 1HD1 LEU 29 -8.909 -2.717 -20.059 199 HD12 LEU 29 2HD1 LEU 29 -7.535 -2.620 -21.159 200 HD13 LEU 29 3HD1 LEU 29 -7.612 -1.562 -19.751 201 HD21 LEU 29 3HD2 LEU 29 -7.290 -2.263 -17.634 202 HD22 LEU 29 1HD2 LEU 29 -6.496 -3.793 -17.263 203 HD23 LEU 29 2HD2 LEU 29 -8.244 -3.740 -17.492 204 H THR 30 H THR 30 -8.052 -7.524 -16.788 205 HA THR 30 HA THR 30 -9.441 -9.451 -18.480 206 HB THR 30 HB THR 30 -8.046 -10.309 -16.645 207 HG1 THR 30 1HG THR 30 -10.510 -11.011 -17.219 208 HG21 THR 30 3HG2 THR 30 -8.471 -9.894 -14.376 209 HG22 THR 30 1HG2 THR 30 -10.062 -9.210 -14.706 210 HG23 THR 30 2HG2 THR 30 -8.608 -8.309 -15.135 211 H GLN 31 H GLN 31 -10.183 -7.374 -15.680 212 HA GLN 31 HA GLN 31 -12.992 -7.356 -16.568 213 HB2 GLN 31 1HB GLN 31 -11.820 -7.744 -13.855 214 HB3 GLN 31 2HB GLN 31 -13.329 -6.849 -13.981 215 HG2 GLN 31 1HG GLN 31 -14.014 -8.924 -15.468 216 HG3 GLN 31 2HG GLN 31 -12.768 -9.712 -14.501 217 HE21 GLN 31 1HE2 GLN 31 -13.508 -10.684 -12.770 218 HE22 GLN 31 2HE2 GLN 31 -14.890 -10.218 -11.844 219 HA PRO 32 HA PRO 32 -11.109 -3.042 -16.279 220 HB2 PRO 32 1HB PRO 32 -11.435 -2.388 -18.894 221 HB3 PRO 32 2HB PRO 32 -9.980 -3.178 -18.275 222 HG2 PRO 32 1HG PRO 32 -12.336 -4.380 -19.677 223 HG3 PRO 32 2HG PRO 32 -10.609 -4.710 -19.908 224 HD2 PRO 32 1HD PRO 32 -12.221 -6.331 -18.457 225 HD3 PRO 32 2HD PRO 32 -10.502 -6.104 -18.075 226 H LEU 33 H LEU 33 -12.230 -0.983 -17.029 227 HA LEU 33 HA LEU 33 -15.120 -1.344 -16.697 228 HB2 LEU 33 1HB LEU 33 -13.572 1.226 -16.490 229 HB3 LEU 33 2HB LEU 33 -15.203 0.896 -15.909 230 HG LEU 33 HG LEU 33 -12.580 0.030 -14.733 231 HD11 LEU 33 1HD1 LEU 33 -13.178 1.286 -12.912 232 HD12 LEU 33 2HD1 LEU 33 -14.905 1.138 -13.237 233 HD13 LEU 33 3HD1 LEU 33 -13.915 2.224 -14.212 234 HD21 LEU 33 3HD2 LEU 33 -15.151 -1.377 -14.681 235 HD22 LEU 33 1HD2 LEU 33 -14.451 -1.066 -13.092 236 HD23 LEU 33 2HD2 LEU 33 -13.528 -1.957 -14.303 237 H SER 34 H SER 34 -16.428 0.503 -17.780 238 HA SER 34 HA SER 34 -15.479 0.805 -20.555 239 HB2 SER 34 1HB SER 34 -17.308 -0.811 -20.453 240 HB3 SER 34 2HB SER 34 -18.312 0.349 -19.585 241 HG SER 34 HG SER 34 -17.247 1.160 -22.026 242 H LEU 35 H LEU 35 -16.152 2.699 -21.681 243 HA LEU 35 HA LEU 35 -17.204 4.868 -20.010 244 HB2 LEU 35 1HB LEU 35 -14.853 5.210 -21.858 245 HB3 LEU 35 2HB LEU 35 -15.530 6.402 -20.750 246 HG LEU 35 HG LEU 35 -14.159 3.860 -19.881 247 HD11 LEU 35 1HD1 LEU 35 -12.267 4.883 -20.464 248 HD12 LEU 35 2HD1 LEU 35 -12.584 5.987 -19.126 249 HD13 LEU 35 3HD1 LEU 35 -13.088 6.416 -20.760 250 HD21 LEU 35 3HD2 LEU 35 -15.555 6.059 -18.504 251 HD22 LEU 35 1HD2 LEU 35 -14.013 5.568 -17.804 252 HD23 LEU 35 2HD2 LEU 35 -15.303 4.384 -18.011 253 H ASP 36 H ASP 36 -17.759 6.821 -21.385 254 HA ASP 36 HA ASP 36 -19.332 5.905 -23.635 255 HB2 ASP 36 1HB ASP 36 -19.070 8.710 -22.535 256 HB3 ASP 36 2HB ASP 36 -20.332 8.107 -23.606 257 H CYS 37 H CYS 37 -16.241 6.365 -23.531 258 HA CYS 37 HA CYS 37 -16.047 8.065 -25.923 259 HB2 CYS 37 1HB CYS 37 -13.775 8.468 -25.373 260 HB3 CYS 37 2HB CYS 37 -14.664 8.606 -23.859 261 H GLY 38 H GLY 38 -15.150 4.918 -24.594 262 HA2 GLY 38 1HA GLY 38 -15.349 3.016 -26.140 263 HA3 GLY 38 2HA GLY 38 -14.584 4.028 -27.355 264 H HIS 39 H HIS 39 -13.626 3.722 -23.973 265 HA HIS 39 HA HIS 39 -11.306 2.121 -24.733 266 HB2 HIS 39 1HB HIS 39 -11.117 4.829 -23.402 267 HB3 HIS 39 2HB HIS 39 -9.784 3.682 -23.504 268 HD2 HIS 39 2HD HIS 39 -9.317 2.994 -26.429 269 HE1 HIS 39 1HE HIS 39 -10.219 7.002 -27.490 270 HE2 HIS 39 2HE HIS 39 -9.254 4.810 -28.270 271 H SER 40 H SER 40 -10.677 0.724 -23.179 272 HA SER 40 HA SER 40 -12.187 0.781 -20.666 273 HB2 SER 40 1HB SER 40 -10.505 -1.556 -21.473 274 HB3 SER 40 2HB SER 40 -12.032 -1.525 -20.592 275 HG SER 40 HG SER 40 -11.973 -0.673 -23.263 276 H PHE 41 H PHE 41 -11.049 0.058 -18.693 277 HA PHE 41 HA PHE 41 -8.186 0.291 -18.595 278 HB2 PHE 41 1HB PHE 41 -9.858 2.415 -17.237 279 HB3 PHE 41 2HB PHE 41 -8.110 2.239 -17.116 280 HD1 PHE 41 2HD PHE 41 -10.866 2.962 -19.478 281 HD2 PHE 41 1HD PHE 41 -6.688 3.205 -18.703 282 HE1 PHE 41 2HE PHE 41 -10.589 4.413 -21.445 283 HE2 PHE 41 1HE PHE 41 -6.404 4.657 -20.669 284 HZ PHE 41 HZ PHE 41 -8.356 5.263 -22.044 285 H CYS 42 H CYS 42 -7.595 0.536 -16.067 286 HA CYS 42 HA CYS 42 -8.946 -1.718 -14.816 287 HB2 CYS 42 1HB CYS 42 -6.455 -0.198 -14.018 288 HB3 CYS 42 2HB CYS 42 -7.076 -1.620 -13.186 289 H GLN 43 H GLN 43 -10.017 -1.652 -12.876 290 HA GLN 43 HA GLN 43 -11.431 0.640 -12.192 291 HB2 GLN 43 1HB GLN 43 -12.234 -1.536 -11.546 292 HB3 GLN 43 2HB GLN 43 -10.810 -1.819 -10.554 293 HG2 GLN 43 1HG GLN 43 -12.519 -1.291 -9.049 294 HG3 GLN 43 2HG GLN 43 -11.546 0.173 -9.176 295 HE21 GLN 43 1HE2 GLN 43 -12.396 1.980 -10.174 296 HE22 GLN 43 2HE2 GLN 43 -14.077 2.138 -10.537 297 H ALA 44 H ALA 44 -8.234 -0.293 -11.365 298 HA ALA 44 HA ALA 44 -8.100 1.607 -9.144 299 HB1 ALA 44 3HB ALA 44 -5.777 -0.027 -10.080 300 HB2 ALA 44 1HB ALA 44 -6.154 0.563 -8.461 301 HB3 ALA 44 2HB ALA 44 -7.074 -0.776 -9.148 302 H CYS 45 H CYS 45 -6.401 0.907 -12.198 303 HA CYS 45 HA CYS 45 -4.678 3.065 -12.245 304 HB2 CYS 45 1HB CYS 45 -6.094 1.714 -14.551 305 HB3 CYS 45 2HB CYS 45 -4.749 2.836 -14.736 306 H LEU 46 H LEU 46 -8.050 2.904 -13.306 307 HA LEU 46 HA LEU 46 -8.220 5.469 -14.426 308 HB2 LEU 46 1HB LEU 46 -10.133 3.457 -13.404 309 HB3 LEU 46 2HB LEU 46 -10.726 5.111 -13.547 310 HG LEU 46 HG LEU 46 -9.396 3.783 -15.877 311 HD11 LEU 46 1HD1 LEU 46 -11.678 3.089 -16.618 312 HD12 LEU 46 2HD1 LEU 46 -12.248 3.420 -14.982 313 HD13 LEU 46 3HD1 LEU 46 -11.036 2.168 -15.257 314 HD21 LEU 46 3HD2 LEU 46 -11.451 5.958 -15.526 315 HD22 LEU 46 1HD2 LEU 46 -11.002 5.272 -17.088 316 HD23 LEU 46 2HD2 LEU 46 -9.797 6.121 -16.119 317 H THR 47 H THR 47 -8.845 4.330 -11.127 318 HA THR 47 HA THR 47 -9.771 6.735 -10.045 319 HB THR 47 HB THR 47 -8.293 4.443 -8.751 320 HG1 THR 47 1HG THR 47 -10.839 4.851 -7.958 321 HG21 THR 47 3HG2 THR 47 -9.239 5.439 -6.608 322 HG22 THR 47 1HG2 THR 47 -9.471 6.927 -7.525 323 HG23 THR 47 2HG2 THR 47 -7.850 6.266 -7.313 324 H ALA 48 H ALA 48 -6.489 5.515 -10.482 325 HA ALA 48 HA ALA 48 -5.285 7.748 -9.114 326 HB1 ALA 48 3HB ALA 48 -3.196 6.738 -9.606 327 HB2 ALA 48 1HB ALA 48 -4.310 5.430 -9.205 328 HB3 ALA 48 2HB ALA 48 -3.899 5.753 -10.889 329 H ASN 49 H ASN 49 -6.231 6.972 -12.353 330 HA ASN 49 HA ASN 49 -4.576 8.995 -13.581 331 HB2 ASN 49 1HB ASN 49 -5.276 6.846 -14.714 332 HB3 ASN 49 2HB ASN 49 -6.900 7.518 -14.822 333 HD21 ASN 49 1HD2 ASN 49 -7.333 9.119 -16.286 334 HD22 ASN 49 2HD2 ASN 49 -6.216 9.605 -17.511 335 H HIS 50 H HIS 50 -7.742 8.766 -12.220 336 HA HIS 50 HA HIS 50 -8.688 11.195 -13.499 337 HB2 HIS 50 1HB HIS 50 -9.905 9.276 -11.520 338 HB3 HIS 50 2HB HIS 50 -10.683 10.799 -11.938 339 HD2 HIS 50 2HD HIS 50 -9.428 9.932 -15.214 340 HE1 HIS 50 1HE HIS 50 -12.909 7.530 -14.875 341 HE2 HIS 50 2HE HIS 50 -11.132 8.410 -16.428 342 H LYS 51 H LYS 51 -7.779 10.100 -10.251 343 HA LYS 51 HA LYS 51 -8.275 12.556 -8.947 344 HB2 LYS 51 1HB LYS 51 -7.286 11.599 -7.061 345 HB3 LYS 51 2HB LYS 51 -7.908 10.207 -7.938 346 HG2 LYS 51 1HG LYS 51 -5.727 9.673 -8.765 347 HG3 LYS 51 2HG LYS 51 -5.060 11.166 -8.101 348 HD2 LYS 51 1HD LYS 51 -5.463 10.399 -5.851 349 HD3 LYS 51 2HD LYS 51 -6.294 8.962 -6.451 350 HE2 LYS 51 1HE LYS 51 -4.168 8.176 -5.927 351 HE3 LYS 51 2HE LYS 51 -4.082 8.454 -7.666 352 HZ1 LYS 51 3HZ LYS 51 -3.195 10.467 -5.682 353 HZ2 LYS 51 1HZ LYS 51 -2.876 10.432 -7.343 354 HZ3 LYS 51 2HZ LYS 51 -2.155 9.295 -6.320 355 H LYS 52 H LYS 52 -5.473 11.253 -10.616 356 HA LYS 52 HA LYS 52 -3.444 12.891 -9.804 357 HB2 LYS 52 1HB LYS 52 -2.807 11.292 -11.359 358 HB3 LYS 52 2HB LYS 52 -4.127 11.681 -12.454 359 HG2 LYS 52 1HG LYS 52 -1.925 12.343 -13.327 360 HG3 LYS 52 2HG LYS 52 -3.026 13.710 -13.140 361 HD2 LYS 52 1HD LYS 52 -1.855 14.579 -11.352 362 HD3 LYS 52 2HD LYS 52 -1.159 13.018 -10.914 363 HE2 LYS 52 1HE LYS 52 -0.420 14.711 -13.299 364 HE3 LYS 52 2HE LYS 52 0.547 14.473 -11.844 365 HZ1 LYS 52 3HZ LYS 52 -0.103 11.962 -12.904 366 HZ2 LYS 52 1HZ LYS 52 1.424 12.677 -12.758 367 HZ3 LYS 52 2HZ LYS 52 0.510 12.915 -14.161 368 H SER 53 H SER 53 -5.392 13.606 -12.708 369 HA SER 53 HA SER 53 -4.559 16.165 -13.176 370 HB2 SER 53 1HB SER 53 -6.908 16.548 -14.109 371 HB3 SER 53 2HB SER 53 -6.020 15.170 -14.760 372 HG SER 53 HG SER 53 -8.317 15.236 -13.247 373 H MET 54 H MET 54 -7.061 15.120 -10.902 374 HA MET 54 HA MET 54 -8.194 17.455 -10.109 375 HB2 MET 54 1HB MET 54 -8.349 14.976 -9.172 376 HB3 MET 54 2HB MET 54 -7.284 15.628 -7.934 377 HG2 MET 54 1HG MET 54 -9.647 15.713 -7.291 378 HG3 MET 54 2HG MET 54 -8.904 17.309 -7.357 379 HE1 MET 54 3HE MET 54 -10.228 14.746 -9.717 380 HE2 MET 54 1HE MET 54 -11.899 15.085 -9.267 381 HE3 MET 54 2HE MET 54 -11.285 15.608 -10.835 382 H LEU 55 H LEU 55 -4.946 16.355 -9.393 383 HA LEU 55 HA LEU 55 -4.367 18.314 -7.415 384 HB2 LEU 55 1HB LEU 55 -2.762 16.423 -9.071 385 HB3 LEU 55 2HB LEU 55 -1.937 17.715 -8.202 386 HG LEU 55 HG LEU 55 -3.289 16.739 -6.157 387 HD11 LEU 55 1HD1 LEU 55 -4.006 14.934 -8.157 388 HD12 LEU 55 2HD1 LEU 55 -4.259 14.761 -6.421 389 HD13 LEU 55 3HD1 LEU 55 -2.813 14.087 -7.172 390 HD21 LEU 55 3HD2 LEU 55 -0.840 16.894 -6.380 391 HD22 LEU 55 1HD2 LEU 55 -0.843 15.376 -7.280 392 HD23 LEU 55 2HD2 LEU 55 -1.352 15.401 -5.591 393 H ASP 56 H ASP 56 -4.036 18.182 -10.911 394 HA ASP 56 HA ASP 56 -3.326 21.038 -10.879 395 HB2 ASP 56 1HB ASP 56 -1.383 19.539 -11.478 396 HB3 ASP 56 2HB ASP 56 -2.288 19.058 -12.910 397 H LYS 57 H LYS 57 -4.199 18.557 -13.290 398 HA LYS 57 HA LYS 57 -5.818 20.431 -14.749 399 HB2 LYS 57 1HB LYS 57 -5.435 17.449 -15.069 400 HB3 LYS 57 2HB LYS 57 -6.341 18.463 -16.184 401 HG2 LYS 57 1HG LYS 57 -4.466 19.425 -17.055 402 HG3 LYS 57 2HG LYS 57 -3.536 19.220 -15.568 403 HD2 LYS 57 1HD LYS 57 -3.165 16.924 -16.006 404 HD3 LYS 57 2HD LYS 57 -4.379 16.897 -17.287 405 HE2 LYS 57 1HE LYS 57 -1.976 18.674 -17.490 406 HE3 LYS 57 2HE LYS 57 -1.871 16.968 -17.924 407 HZ1 LYS 57 3HZ LYS 57 -3.145 17.258 -19.753 408 HZ2 LYS 57 1HZ LYS 57 -2.534 18.833 -19.659 409 HZ3 LYS 57 2HZ LYS 57 -4.080 18.490 -19.067 410 H GLY 58 H GLY 58 -6.728 20.200 -12.114 411 HA2 GLY 58 1HA GLY 58 -8.508 19.257 -10.834 412 HA3 GLY 58 2HA GLY 58 -9.295 20.327 -11.984 413 H GLU 59 H GLU 59 -10.562 19.484 -13.586 414 HA GLU 59 HA GLU 59 -11.667 16.928 -13.184 415 HB2 GLU 59 1HB GLU 59 -12.859 17.328 -15.310 416 HB3 GLU 59 2HB GLU 59 -12.954 18.702 -14.218 417 HG2 GLU 59 1HG GLU 59 -10.793 18.658 -16.256 418 HG3 GLU 59 2HG GLU 59 -12.441 19.011 -16.774 419 H SER 60 H SER 60 -11.225 14.971 -14.016 420 HA SER 60 HA SER 60 -8.732 14.582 -15.371 421 HB2 SER 60 1HB SER 60 -9.180 12.227 -15.161 422 HB3 SER 60 2HB SER 60 -9.691 13.003 -13.662 423 HG SER 60 HG SER 60 -11.290 11.581 -14.354 424 H SER 61 H SER 61 -8.910 12.745 -17.210 425 HA SER 61 HA SER 61 -11.038 12.995 -19.067 426 HB2 SER 61 1HB SER 61 -8.672 14.788 -19.384 427 HB3 SER 61 2HB SER 61 -9.371 14.069 -20.835 428 HG SER 61 HG SER 61 -11.438 14.905 -19.636 429 H CYS 62 H CYS 62 -11.013 11.296 -20.414 430 HA CYS 62 HA CYS 62 -9.607 9.062 -20.164 431 HB2 CYS 62 1HB CYS 62 -11.428 9.472 -21.844 432 HB3 CYS 62 2HB CYS 62 -10.216 10.183 -22.904 433 HA PRO 63 HA PRO 63 -5.367 10.261 -20.874 434 HB2 PRO 63 1HB PRO 63 -4.311 7.816 -20.345 435 HB3 PRO 63 2HB PRO 63 -4.847 8.926 -19.078 436 HG2 PRO 63 1HG PRO 63 -6.265 6.566 -20.254 437 HG3 PRO 63 2HG PRO 63 -6.136 7.061 -18.557 438 HD2 PRO 63 1HD PRO 63 -8.336 7.557 -20.055 439 HD3 PRO 63 2HD PRO 63 -7.796 8.647 -18.761 440 H VAL 64 H VAL 64 -7.376 8.503 -22.793 441 HA VAL 64 HA VAL 64 -5.235 7.727 -24.660 442 HB VAL 64 HB VAL 64 -8.089 6.750 -24.497 443 HG11 VAL 64 1HG1 VAL 64 -5.980 6.437 -26.571 444 HG12 VAL 64 2HG1 VAL 64 -7.028 5.060 -26.223 445 HG13 VAL 64 3HG1 VAL 64 -7.727 6.592 -26.750 446 HG21 VAL 64 3HG2 VAL 64 -5.483 5.308 -24.014 447 HG22 VAL 64 1HG2 VAL 64 -6.596 5.859 -22.762 448 HG23 VAL 64 2HG2 VAL 64 -7.099 4.610 -23.901 449 H CYS 65 H CYS 65 -8.468 9.199 -24.524 450 HA CYS 65 HA CYS 65 -7.806 10.658 -26.998 451 HB2 CYS 65 1HB CYS 65 -10.185 10.630 -27.577 452 HB3 CYS 65 2HB CYS 65 -9.566 8.992 -27.401 453 H ARG 66 H ARG 66 -8.603 10.849 -23.725 454 HA ARG 66 HA ARG 66 -9.188 12.545 -22.319 455 HB2 ARG 66 1HB ARG 66 -7.668 13.980 -24.484 456 HB3 ARG 66 2HB ARG 66 -8.295 14.835 -23.081 457 HG2 ARG 66 1HG ARG 66 -6.193 14.374 -22.348 458 HG3 ARG 66 2HG ARG 66 -7.026 12.925 -21.781 459 HD2 ARG 66 1HD ARG 66 -6.047 11.582 -23.346 460 HD3 ARG 66 2HD ARG 66 -5.889 12.886 -24.522 461 HE ARG 66 HE ARG 66 -4.201 13.325 -22.285 462 HH11 ARG 66 1HH1 ARG 66 -4.506 11.422 -25.184 463 HH12 ARG 66 2HH1 ARG 66 -2.798 11.201 -25.375 464 HH21 ARG 66 1HH2 ARG 66 -1.950 13.041 -22.525 465 HH22 ARG 66 2HH2 ARG 66 -1.346 12.121 -23.861 466 H ILE 67 H ILE 67 -11.386 11.802 -23.540 467 HA ILE 67 HA ILE 67 -12.645 13.995 -24.947 468 HB ILE 67 HB ILE 67 -13.085 11.528 -25.408 469 HG12 ILE 67 1HG1 ILE 67 -15.617 13.045 -24.834 470 HG13 ILE 67 2HG1 ILE 67 -14.503 13.587 -26.084 471 HG21 ILE 67 1HG2 ILE 67 -14.604 11.852 -22.833 472 HG22 ILE 67 2HG2 ILE 67 -14.954 10.580 -24.003 473 HG23 ILE 67 3HG2 ILE 67 -13.372 10.654 -23.228 474 HD11 ILE 67 3HD1 ILE 67 -16.557 11.878 -26.482 475 HD12 ILE 67 1HD1 ILE 67 -15.120 11.970 -27.500 476 HD13 ILE 67 2HD1 ILE 67 -15.224 10.752 -26.229 477 H SER 68 H SER 68 -14.782 14.813 -24.224 478 HA SER 68 HA SER 68 -14.592 15.730 -21.506 479 HB2 SER 68 1HB SER 68 -16.356 17.219 -22.039 480 HB3 SER 68 2HB SER 68 -15.404 17.092 -23.518 481 HG SER 68 HG SER 68 -17.455 16.798 -24.181 482 H TYR 69 H TYR 69 -15.225 14.498 -19.869 483 HA TYR 69 HA TYR 69 -17.890 13.503 -19.702 484 HB2 TYR 69 1HB TYR 69 -17.579 11.199 -19.809 485 HB3 TYR 69 2HB TYR 69 -16.552 11.777 -21.117 486 HD1 TYR 69 2HD TYR 69 -14.263 12.782 -19.383 487 HD2 TYR 69 1HD TYR 69 -16.482 9.152 -19.338 488 HE1 TYR 69 2HE TYR 69 -12.336 11.624 -18.387 489 HE2 TYR 69 1HE TYR 69 -14.561 7.984 -18.340 490 HH TYR 69 HH TYR 69 -11.442 9.489 -18.052 491 H GLN 70 H GLN 70 -18.365 12.564 -17.609 492 HA GLN 70 HA GLN 70 -16.378 13.333 -15.574 493 HB2 GLN 70 1HB GLN 70 -19.360 13.596 -15.655 494 HB3 GLN 70 2HB GLN 70 -18.542 13.452 -14.104 495 HG2 GLN 70 1HG GLN 70 -17.127 15.402 -14.766 496 HG3 GLN 70 2HG GLN 70 -18.164 15.593 -16.178 497 HE21 GLN 70 1HE2 GLN 70 -20.448 15.966 -15.785 498 HE22 GLN 70 2HE2 GLN 70 -20.928 16.832 -14.369 499 HA PRO 71 HA PRO 71 -16.313 9.064 -14.427 500 HB2 PRO 71 1HB PRO 71 -15.028 9.358 -12.053 501 HB3 PRO 71 2HB PRO 71 -14.206 9.484 -13.613 502 HG2 PRO 71 1HG PRO 71 -15.193 11.661 -11.811 503 HG3 PRO 71 2HG PRO 71 -13.663 11.553 -12.700 504 HD2 PRO 71 1HD PRO 71 -15.753 13.034 -13.575 505 HD3 PRO 71 2HD PRO 71 -14.621 12.233 -14.682 506 H GLU 72 H GLU 72 -17.273 11.485 -12.001 507 HA GLU 72 HA GLU 72 -18.399 10.074 -10.028 508 HB2 GLU 72 1HB GLU 72 -18.512 12.619 -10.533 509 HB3 GLU 72 2HB GLU 72 -20.054 12.240 -11.287 510 HG2 GLU 72 1HG GLU 72 -21.056 11.699 -9.299 511 HG3 GLU 72 2HG GLU 72 -19.531 11.280 -8.520 512 H ASN 73 H ASN 73 -20.097 10.770 -13.083 513 HA ASN 73 HA ASN 73 -22.371 9.206 -12.478 514 HB2 ASN 73 1HB ASN 73 -21.258 10.105 -15.144 515 HB3 ASN 73 2HB ASN 73 -22.844 9.371 -14.922 516 HD21 ASN 73 1HD2 ASN 73 -21.266 12.218 -15.247 517 HD22 ASN 73 2HD2 ASN 73 -22.409 13.275 -14.499 518 H ILE 74 H ILE 74 -19.713 8.544 -14.767 519 HA ILE 74 HA ILE 74 -20.242 6.067 -15.628 520 HB ILE 74 HB ILE 74 -17.556 6.959 -14.574 521 HG12 ILE 74 1HG1 ILE 74 -18.492 6.914 -17.438 522 HG13 ILE 74 2HG1 ILE 74 -18.741 8.315 -16.403 523 HG21 ILE 74 1HG2 ILE 74 -17.069 4.774 -14.849 524 HG22 ILE 74 2HG2 ILE 74 -18.447 4.491 -15.911 525 HG23 ILE 74 3HG2 ILE 74 -16.978 5.226 -16.551 526 HD11 ILE 74 3HD1 ILE 74 -16.505 7.725 -17.947 527 HD12 ILE 74 1HD1 ILE 74 -16.669 9.006 -16.745 528 HD13 ILE 74 2HD1 ILE 74 -16.008 7.438 -16.280 529 H ARG 75 H ARG 75 -20.023 3.934 -14.952 530 HA ARG 75 HA ARG 75 -19.173 3.302 -12.275 531 HB2 ARG 75 1HB ARG 75 -21.250 2.493 -11.425 532 HB3 ARG 75 2HB ARG 75 -21.531 4.132 -11.998 533 HG2 ARG 75 1HG ARG 75 -22.218 2.841 -14.208 534 HG3 ARG 75 2HG ARG 75 -22.544 1.554 -13.044 535 HD2 ARG 75 1HD ARG 75 -24.044 2.975 -11.815 536 HD3 ARG 75 2HD ARG 75 -23.622 4.360 -12.821 537 HE ARG 75 HE ARG 75 -25.048 3.581 -14.444 538 HH11 ARG 75 1HH1 ARG 75 -24.523 1.095 -12.065 539 HH12 ARG 75 2HH1 ARG 75 -25.762 0.057 -12.686 540 HH21 ARG 75 1HH2 ARG 75 -26.682 2.223 -15.272 541 HH22 ARG 75 2HH2 ARG 75 -26.989 0.698 -14.511 542 HA PRO 76 HA PRO 76 -18.238 -0.529 -14.211 543 HB2 PRO 76 1HB PRO 76 -18.220 -2.177 -12.053 544 HB3 PRO 76 2HB PRO 76 -16.946 -0.992 -12.368 545 HG2 PRO 76 1HG PRO 76 -19.290 -0.806 -10.515 546 HG3 PRO 76 2HG PRO 76 -17.607 -0.322 -10.241 547 HD2 PRO 76 1HD PRO 76 -19.549 1.456 -10.873 548 HD3 PRO 76 2HD PRO 76 -17.860 1.666 -11.380 549 H ASN 77 H ASN 77 -18.990 -2.940 -14.095 550 HA ASN 77 HA ASN 77 -21.380 -3.324 -15.204 551 HB2 ASN 77 1HB ASN 77 -20.593 -5.271 -13.059 552 HB3 ASN 77 2HB ASN 77 -21.253 -5.591 -14.661 553 HD21 ASN 77 1HD2 ASN 77 -19.736 -4.548 -16.431 554 HD22 ASN 77 2HD2 ASN 77 -18.077 -5.010 -16.282 555 H ARG 78 H ARG 78 -21.008 -3.806 -11.686 556 HA ARG 78 HA ARG 78 -23.292 -2.271 -11.017 557 HB2 ARG 78 1HB ARG 78 -24.866 -3.962 -10.427 558 HB3 ARG 78 2HB ARG 78 -24.363 -4.285 -12.080 559 HG2 ARG 78 1HG ARG 78 -24.240 -6.388 -11.246 560 HG3 ARG 78 2HG ARG 78 -22.609 -5.840 -10.853 561 HD2 ARG 78 1HD ARG 78 -23.064 -5.653 -8.613 562 HD3 ARG 78 2HD ARG 78 -24.783 -5.366 -8.878 563 HE ARG 78 HE ARG 78 -25.143 -7.635 -8.837 564 HH11 ARG 78 1HH1 ARG 78 -21.729 -6.995 -9.067 565 HH12 ARG 78 2HH1 ARG 78 -21.268 -8.641 -8.784 566 HH21 ARG 78 1HH2 ARG 78 -24.549 -9.806 -8.463 567 HH22 ARG 78 2HH2 ARG 78 -22.874 -10.239 -8.442 568 H HIS 79 H HIS 79 -24.052 -3.061 -8.654 569 HA HIS 79 HA HIS 79 -21.902 -4.126 -7.058 570 HB2 HIS 79 1HB HIS 79 -21.460 -2.176 -5.741 571 HB3 HIS 79 2HB HIS 79 -21.270 -1.718 -7.431 572 HD2 HIS 79 2HD HIS 79 -24.347 -0.956 -8.152 573 HE1 HIS 79 1HE HIS 79 -24.094 1.634 -4.802 574 HE2 HIS 79 2HE HIS 79 -25.402 1.025 -6.866 575 H VAL 80 H VAL 80 -22.749 -5.207 -5.401 576 HA VAL 80 HA VAL 80 -25.209 -4.282 -4.141 577 HB VAL 80 HB VAL 80 -24.945 -6.946 -5.520 578 HG11 VAL 80 1HG1 VAL 80 -25.895 -7.816 -3.672 579 HG12 VAL 80 2HG1 VAL 80 -26.443 -6.245 -3.085 580 HG13 VAL 80 3HG1 VAL 80 -27.364 -7.094 -4.327 581 HG21 VAL 80 3HG2 VAL 80 -26.939 -6.332 -6.653 582 HG22 VAL 80 1HG2 VAL 80 -27.207 -4.961 -5.577 583 HG23 VAL 80 2HG2 VAL 80 -25.868 -4.933 -6.725 584 H ALA 81 H ALA 81 -25.092 -4.509 -2.004 585 HA ALA 81 HA ALA 81 -22.844 -5.915 -0.846 586 HB1 ALA 81 3HB ALA 81 -23.252 -3.828 0.144 587 HB2 ALA 81 1HB ALA 81 -24.983 -4.134 0.281 588 HB3 ALA 81 2HB ALA 81 -23.849 -5.004 1.315 589 H ASN 82 H ASN 82 -24.514 -7.719 -2.084 590 HA ASN 82 HA ASN 82 -25.817 -9.074 0.186 591 HB2 ASN 82 1HB ASN 82 -27.223 -8.294 -1.861 592 HB3 ASN 82 2HB ASN 82 -26.489 -9.669 -2.681 593 HD21 ASN 82 1HD2 ASN 82 -27.942 -11.218 -2.790 594 HD22 ASN 82 2HD2 ASN 82 -28.946 -11.762 -1.493 595 H ILE 83 H ILE 83 -25.789 -11.456 0.076 596 HA ILE 83 HA ILE 83 -23.247 -12.408 -1.066 597 HB ILE 83 HB ILE 83 -24.763 -13.571 1.272 598 HG12 ILE 83 1HG1 ILE 83 -23.759 -11.278 1.645 599 HG13 ILE 83 2HG1 ILE 83 -23.169 -12.542 2.718 600 HG21 ILE 83 1HG2 ILE 83 -22.000 -14.275 1.173 601 HG22 ILE 83 2HG2 ILE 83 -23.415 -15.324 1.106 602 HG23 ILE 83 3HG2 ILE 83 -22.747 -14.649 -0.380 603 HD11 ILE 83 3HD1 ILE 83 -21.604 -10.797 1.363 604 HD12 ILE 83 1HD1 ILE 83 -21.076 -12.370 1.960 605 HD13 ILE 83 2HD1 ILE 83 -21.590 -12.191 0.282 606 H VAL 84 H VAL 84 -23.212 -14.171 -2.362 607 HA VAL 84 HA VAL 84 -25.470 -14.948 -3.779 608 HB VAL 84 HB VAL 84 -22.929 -16.531 -3.365 609 HG11 VAL 84 1HG1 VAL 84 -24.007 -18.140 -4.472 610 HG12 VAL 84 2HG1 VAL 84 -25.357 -17.075 -4.866 611 HG13 VAL 84 3HG1 VAL 84 -23.915 -17.087 -5.883 612 HG21 VAL 84 3HG2 VAL 84 -22.167 -14.585 -4.318 613 HG22 VAL 84 1HG2 VAL 84 -22.570 -15.518 -5.759 614 HG23 VAL 84 2HG2 VAL 84 -23.681 -14.281 -5.171 615 H GLU 85 H GLU 85 -27.204 -16.008 -3.101 616 HA GLU 85 HA GLU 85 -27.127 -17.651 -0.731 617 HB2 GLU 85 1HB GLU 85 -29.039 -16.076 -1.637 618 HB3 GLU 85 2HB GLU 85 -29.514 -17.517 -2.525 619 HG2 GLU 85 1HG GLU 85 -29.140 -17.421 0.457 620 HG3 GLU 85 2HG GLU 85 -30.687 -17.205 -0.359 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -18.060 -6.823 -8.254 2 HA2 GLY 1 1HA GLY 1 -16.493 -4.864 -6.750 3 HA3 GLY 1 2HA GLY 1 -18.003 -5.602 -6.235 4 H SER 2 H SER 2 -14.558 -6.229 -6.724 5 HA SER 2 HA SER 2 -14.706 -8.613 -5.055 6 HB2 SER 2 1HB SER 2 -12.497 -9.097 -5.766 7 HB3 SER 2 2HB SER 2 -13.304 -8.440 -7.190 8 HG SER 2 HG SER 2 -12.262 -6.502 -6.869 9 H SER 3 H SER 3 -13.522 -8.878 -3.134 10 HA SER 3 HA SER 3 -13.571 -6.724 -1.360 11 HB2 SER 3 1HB SER 3 -12.441 -8.180 0.213 12 HB3 SER 3 2HB SER 3 -13.605 -9.135 -0.705 13 HG SER 3 HG SER 3 -11.028 -9.578 -0.441 14 H GLY 4 H GLY 4 -10.835 -8.185 -3.094 15 HA2 GLY 4 1HA GLY 4 -9.061 -6.844 -3.979 16 HA3 GLY 4 2HA GLY 4 -9.369 -5.664 -2.713 17 H SER 5 H SER 5 -8.459 -9.100 -3.013 18 HA SER 5 HA SER 5 -6.227 -8.611 -1.192 19 HB2 SER 5 1HB SER 5 -7.819 -9.363 0.386 20 HB3 SER 5 2HB SER 5 -8.453 -10.587 -0.715 21 HG SER 5 HG SER 5 -6.652 -10.949 1.116 22 H SER 6 H SER 6 -4.466 -9.365 -2.142 23 HA SER 6 HA SER 6 -4.399 -10.894 -4.455 24 HB2 SER 6 1HB SER 6 -2.052 -10.994 -4.186 25 HB3 SER 6 2HB SER 6 -2.529 -9.492 -3.394 26 HG SER 6 HG SER 6 -1.158 -11.439 -2.342 27 H GLY 7 H GLY 7 -4.546 -13.005 -4.900 28 HA2 GLY 7 1HA GLY 7 -5.104 -14.838 -2.720 29 HA3 GLY 7 2HA GLY 7 -5.250 -15.180 -4.437 30 H MET 8 H MET 8 -2.720 -14.586 -5.345 31 HA MET 8 HA MET 8 -0.956 -16.337 -3.775 32 HB2 MET 8 1HB MET 8 -1.345 -16.467 -6.771 33 HB3 MET 8 2HB MET 8 -0.190 -17.416 -5.845 34 HG2 MET 8 1HG MET 8 -1.825 -18.748 -4.914 35 HG3 MET 8 2HG MET 8 -3.095 -17.559 -5.189 36 HE1 MET 8 3HE MET 8 -4.916 -19.179 -6.441 37 HE2 MET 8 1HE MET 8 -4.624 -17.518 -6.958 38 HE3 MET 8 2HE MET 8 -4.812 -18.795 -8.160 39 H ALA 9 H ALA 9 1.283 -15.970 -4.040 40 HA ALA 9 HA ALA 9 1.914 -13.228 -4.748 41 HB1 ALA 9 3HB ALA 9 2.925 -15.131 -2.900 42 HB2 ALA 9 1HB ALA 9 4.241 -14.654 -3.974 43 HB3 ALA 9 2HB ALA 9 3.351 -13.428 -3.071 44 H SER 10 H SER 10 1.216 -14.853 -6.951 45 HA SER 10 HA SER 10 3.651 -14.584 -8.522 46 HB2 SER 10 1HB SER 10 2.245 -17.178 -8.014 47 HB3 SER 10 2HB SER 10 2.982 -16.899 -9.591 48 HG SER 10 HG SER 10 4.332 -16.641 -7.107 49 H GLY 11 H GLY 11 3.216 -13.643 -10.409 50 HA2 GLY 11 1HA GLY 11 0.409 -13.408 -11.218 51 HA3 GLY 11 2HA GLY 11 1.733 -12.395 -11.774 52 H ILE 12 H ILE 12 1.524 -15.931 -11.698 53 HA ILE 12 HA ILE 12 2.122 -15.950 -14.565 54 HB ILE 12 HB ILE 12 2.652 -18.347 -14.234 55 HG12 ILE 12 1HG1 ILE 12 2.309 -17.771 -11.286 56 HG13 ILE 12 2HG1 ILE 12 1.116 -18.627 -12.257 57 HG21 ILE 12 1HG2 ILE 12 4.108 -16.504 -12.344 58 HG22 ILE 12 2HG2 ILE 12 4.735 -17.997 -13.040 59 HG23 ILE 12 3HG2 ILE 12 4.388 -16.617 -14.081 60 HD11 ILE 12 3HD1 ILE 12 2.241 -20.534 -12.123 61 HD12 ILE 12 1HD1 ILE 12 3.772 -19.756 -12.524 62 HD13 ILE 12 2HD1 ILE 12 3.192 -19.756 -10.858 63 H LEU 13 H LEU 13 0.756 -16.749 -16.061 64 HA LEU 13 HA LEU 13 -1.492 -18.409 -15.309 65 HB2 LEU 13 1HB LEU 13 -1.867 -15.643 -16.441 66 HB3 LEU 13 2HB LEU 13 -3.127 -16.875 -16.414 67 HG LEU 13 HG LEU 13 -2.508 -16.823 -13.804 68 HD11 LEU 13 1HD1 LEU 13 -2.009 -14.644 -13.029 69 HD12 LEU 13 2HD1 LEU 13 -2.162 -13.956 -14.645 70 HD13 LEU 13 3HD1 LEU 13 -0.809 -15.021 -14.265 71 HD21 LEU 13 3HD2 LEU 13 -4.478 -15.404 -15.493 72 HD22 LEU 13 1HD2 LEU 13 -4.341 -14.876 -13.815 73 HD23 LEU 13 2HD2 LEU 13 -4.725 -16.558 -14.182 74 H VAL 14 H VAL 14 -2.590 -19.329 -17.136 75 HA VAL 14 HA VAL 14 -0.921 -19.314 -19.560 76 HB VAL 14 HB VAL 14 -1.094 -21.495 -18.439 77 HG11 VAL 14 1HG1 VAL 14 -4.011 -21.535 -19.150 78 HG12 VAL 14 2HG1 VAL 14 -3.113 -22.639 -18.106 79 HG13 VAL 14 3HG1 VAL 14 -3.445 -20.992 -17.571 80 HG21 VAL 14 3HG2 VAL 14 -1.811 -22.803 -20.400 81 HG22 VAL 14 1HG2 VAL 14 -2.521 -21.344 -21.093 82 HG23 VAL 14 2HG2 VAL 14 -0.778 -21.444 -20.843 83 H ASN 15 H ASN 15 -1.733 -18.087 -21.124 84 HA ASN 15 HA ASN 15 -4.430 -18.505 -22.040 85 HB2 ASN 15 1HB ASN 15 -5.030 -16.077 -21.931 86 HB3 ASN 15 2HB ASN 15 -4.914 -16.852 -20.354 87 HD21 ASN 15 1HD2 ASN 15 -3.674 -14.440 -22.443 88 HD22 ASN 15 2HD2 ASN 15 -2.518 -13.768 -21.348 89 H VAL 16 H VAL 16 -4.871 -16.901 -23.939 90 HA VAL 16 HA VAL 16 -2.647 -17.182 -25.754 91 HB VAL 16 HB VAL 16 -4.165 -16.366 -27.473 92 HG11 VAL 16 1HG1 VAL 16 -6.177 -18.042 -26.576 93 HG12 VAL 16 2HG1 VAL 16 -4.748 -18.518 -27.497 94 HG13 VAL 16 3HG1 VAL 16 -4.736 -18.616 -25.736 95 HG21 VAL 16 3HG2 VAL 16 -6.213 -15.983 -25.294 96 HG22 VAL 16 1HG2 VAL 16 -5.285 -14.672 -26.022 97 HG23 VAL 16 2HG2 VAL 16 -6.394 -15.622 -27.011 98 H LYS 17 H LYS 17 -2.247 -15.278 -27.309 99 HA LYS 17 HA LYS 17 -1.030 -13.200 -25.891 100 HB2 LYS 17 1HB LYS 17 -0.797 -12.095 -28.107 101 HB3 LYS 17 2HB LYS 17 -0.284 -13.777 -28.111 102 HG2 LYS 17 1HG LYS 17 -3.091 -13.381 -28.832 103 HG3 LYS 17 2HG LYS 17 -1.939 -12.636 -29.942 104 HD2 LYS 17 1HD LYS 17 -0.881 -14.703 -30.383 105 HD3 LYS 17 2HD LYS 17 -1.686 -15.490 -29.023 106 HE2 LYS 17 1HE LYS 17 -2.951 -16.268 -30.769 107 HE3 LYS 17 2HE LYS 17 -3.859 -14.821 -30.334 108 HZ1 LYS 17 3HZ LYS 17 -2.821 -15.437 -32.805 109 HZ2 LYS 17 1HZ LYS 17 -1.811 -14.218 -32.208 110 HZ3 LYS 17 2HZ LYS 17 -3.477 -13.954 -32.324 111 H GLU 18 H GLU 18 -2.646 -12.404 -24.455 112 HA GLU 18 HA GLU 18 -5.115 -11.484 -24.795 113 HB2 GLU 18 1HB GLU 18 -2.925 -9.845 -23.507 114 HB3 GLU 18 2HB GLU 18 -4.650 -9.651 -23.228 115 HG2 GLU 18 1HG GLU 18 -3.210 -12.222 -22.667 116 HG3 GLU 18 2HG GLU 18 -3.340 -10.925 -21.480 117 H GLU 19 H GLU 19 -6.202 -9.681 -25.596 118 HA GLU 19 HA GLU 19 -4.733 -8.207 -27.676 119 HB2 GLU 19 1HB GLU 19 -6.923 -7.857 -28.746 120 HB3 GLU 19 2HB GLU 19 -6.551 -9.564 -28.552 121 HG2 GLU 19 1HG GLU 19 -7.999 -9.656 -26.585 122 HG3 GLU 19 2HG GLU 19 -8.379 -7.947 -26.791 123 H VAL 20 H VAL 20 -7.293 -7.813 -25.238 124 HA VAL 20 HA VAL 20 -7.315 -4.960 -25.440 125 HB VAL 20 HB VAL 20 -8.402 -6.695 -23.219 126 HG11 VAL 20 1HG1 VAL 20 -9.630 -4.100 -23.900 127 HG12 VAL 20 2HG1 VAL 20 -9.386 -4.865 -22.329 128 HG13 VAL 20 3HG1 VAL 20 -8.048 -4.033 -23.123 129 HG21 VAL 20 3HG2 VAL 20 -9.496 -7.442 -25.148 130 HG22 VAL 20 1HG2 VAL 20 -10.591 -6.237 -24.471 131 HG23 VAL 20 2HG2 VAL 20 -9.566 -5.823 -25.845 132 H THR 21 H THR 21 -5.776 -3.669 -24.702 133 HA THR 21 HA THR 21 -4.319 -4.461 -22.263 134 HB THR 21 HB THR 21 -3.183 -2.754 -24.480 135 HG1 THR 21 1HG THR 21 -2.116 -4.620 -25.164 136 HG21 THR 21 3HG2 THR 21 -1.669 -4.275 -22.381 137 HG22 THR 21 1HG2 THR 21 -2.295 -2.658 -22.063 138 HG23 THR 21 2HG2 THR 21 -1.133 -2.913 -23.365 139 H CYS 22 H CYS 22 -3.808 -2.846 -20.771 140 HA CYS 22 HA CYS 22 -5.652 -0.633 -20.727 141 HB2 CYS 22 1HB CYS 22 -5.155 -1.882 -18.675 142 HB3 CYS 22 2HB CYS 22 -3.463 -1.411 -18.788 143 HA PRO 23 HA PRO 23 -2.854 2.201 -22.693 144 HB2 PRO 23 1HB PRO 23 -4.368 4.424 -22.321 145 HB3 PRO 23 2HB PRO 23 -4.733 3.208 -23.550 146 HG2 PRO 23 1HG PRO 23 -5.935 3.575 -20.833 147 HG3 PRO 23 2HG PRO 23 -6.738 3.208 -22.371 148 HD2 PRO 23 1HD PRO 23 -6.209 1.310 -20.514 149 HD3 PRO 23 2HD PRO 23 -6.210 0.968 -22.256 150 H ILE 24 H ILE 24 -3.449 1.864 -19.457 151 HA ILE 24 HA ILE 24 -1.858 4.227 -18.722 152 HB ILE 24 HB ILE 24 -3.733 2.513 -17.104 153 HG12 ILE 24 1HG1 ILE 24 -3.760 5.503 -17.246 154 HG13 ILE 24 2HG1 ILE 24 -4.396 4.578 -18.602 155 HG21 ILE 24 1HG2 ILE 24 -3.101 3.784 -15.137 156 HG22 ILE 24 2HG2 ILE 24 -1.697 2.948 -15.798 157 HG23 ILE 24 3HG2 ILE 24 -1.904 4.678 -16.073 158 HD11 ILE 24 3HD1 ILE 24 -5.794 3.360 -16.808 159 HD12 ILE 24 1HD1 ILE 24 -5.404 4.753 -15.799 160 HD13 ILE 24 2HD1 ILE 24 -6.269 4.979 -17.320 161 H CYS 25 H CYS 25 -2.298 0.957 -17.367 162 HA CYS 25 HA CYS 25 0.470 0.882 -16.548 163 HB2 CYS 25 1HB CYS 25 -0.110 -1.309 -15.583 164 HB3 CYS 25 2HB CYS 25 -1.245 -0.059 -15.085 165 H LEU 26 H LEU 26 -1.106 0.266 -19.394 166 HA LEU 26 HA LEU 26 -0.730 -1.113 -21.202 167 HB2 LEU 26 1HB LEU 26 2.142 -0.486 -20.573 168 HB3 LEU 26 2HB LEU 26 1.410 -0.752 -22.154 169 HG LEU 26 HG LEU 26 0.848 1.624 -20.381 170 HD11 LEU 26 1HD1 LEU 26 2.985 1.067 -22.307 171 HD12 LEU 26 2HD1 LEU 26 2.894 2.273 -21.024 172 HD13 LEU 26 3HD1 LEU 26 2.125 2.582 -22.580 173 HD21 LEU 26 3HD2 LEU 26 0.192 2.304 -22.934 174 HD22 LEU 26 1HD2 LEU 26 -0.951 1.745 -21.713 175 HD23 LEU 26 2HD2 LEU 26 -0.286 0.607 -22.884 176 H GLU 27 H GLU 27 -1.110 -2.737 -19.038 177 HA GLU 27 HA GLU 27 0.986 -4.788 -19.318 178 HB2 GLU 27 1HB GLU 27 -0.968 -4.317 -17.060 179 HB3 GLU 27 2HB GLU 27 0.128 -5.688 -17.157 180 HG2 GLU 27 1HG GLU 27 1.921 -3.754 -17.418 181 HG3 GLU 27 2HG GLU 27 0.689 -2.847 -16.542 182 H LEU 28 H LEU 28 -2.428 -4.853 -18.312 183 HA LEU 28 HA LEU 28 -3.272 -6.337 -20.600 184 HB2 LEU 28 1HB LEU 28 -2.311 -8.238 -19.710 185 HB3 LEU 28 2HB LEU 28 -2.638 -7.750 -18.049 186 HG LEU 28 HG LEU 28 -5.014 -8.284 -18.373 187 HD11 LEU 28 1HD1 LEU 28 -4.859 -9.881 -20.712 188 HD12 LEU 28 2HD1 LEU 28 -4.284 -8.263 -21.112 189 HD13 LEU 28 3HD1 LEU 28 -5.882 -8.479 -20.400 190 HD21 LEU 28 3HD2 LEU 28 -3.171 -9.965 -17.674 191 HD22 LEU 28 1HD2 LEU 28 -3.461 -10.683 -19.259 192 HD23 LEU 28 2HD2 LEU 28 -4.776 -10.570 -18.089 193 H LEU 29 H LEU 29 -5.527 -6.636 -20.674 194 HA LEU 29 HA LEU 29 -7.047 -5.453 -18.454 195 HB2 LEU 29 1HB LEU 29 -7.052 -4.709 -21.337 196 HB3 LEU 29 2HB LEU 29 -8.566 -4.618 -20.439 197 HG LEU 29 HG LEU 29 -6.050 -3.028 -20.032 198 HD11 LEU 29 1HD1 LEU 29 -8.937 -2.271 -20.457 199 HD12 LEU 29 2HD1 LEU 29 -7.645 -2.172 -21.653 200 HD13 LEU 29 3HD1 LEU 29 -7.602 -1.143 -20.220 201 HD21 LEU 29 3HD2 LEU 29 -8.157 -3.740 -18.072 202 HD22 LEU 29 1HD2 LEU 29 -7.610 -2.064 -18.105 203 HD23 LEU 29 2HD2 LEU 29 -6.452 -3.363 -17.821 204 H THR 30 H THR 30 -7.680 -7.515 -17.779 205 HA THR 30 HA THR 30 -9.163 -9.185 -19.658 206 HB THR 30 HB THR 30 -7.592 -10.361 -18.244 207 HG1 THR 30 1HG THR 30 -10.333 -10.783 -17.981 208 HG21 THR 30 3HG2 THR 30 -8.959 -8.840 -16.078 209 HG22 THR 30 1HG2 THR 30 -7.245 -9.185 -16.303 210 HG23 THR 30 2HG2 THR 30 -8.328 -10.444 -15.709 211 H GLN 31 H GLN 31 -9.655 -7.206 -16.803 212 HA GLN 31 HA GLN 31 -12.552 -7.447 -17.213 213 HB2 GLN 31 1HB GLN 31 -12.903 -7.466 -14.773 214 HB3 GLN 31 2HB GLN 31 -12.018 -8.881 -15.326 215 HG2 GLN 31 1HG GLN 31 -9.913 -7.763 -14.632 216 HG3 GLN 31 2HG GLN 31 -10.884 -6.458 -13.951 217 HE21 GLN 31 1HE2 GLN 31 -9.125 -7.916 -12.414 218 HE22 GLN 31 2HE2 GLN 31 -10.012 -8.871 -11.280 219 HA PRO 32 HA PRO 32 -10.858 -3.052 -16.747 220 HB2 PRO 32 1HB PRO 32 -11.393 -2.222 -19.276 221 HB3 PRO 32 2HB PRO 32 -9.857 -2.965 -18.814 222 HG2 PRO 32 1HG PRO 32 -12.229 -4.199 -20.160 223 HG3 PRO 32 2HG PRO 32 -10.505 -4.403 -20.522 224 HD2 PRO 32 1HD PRO 32 -11.923 -6.228 -19.110 225 HD3 PRO 32 2HD PRO 32 -10.198 -5.924 -18.818 226 H LEU 33 H LEU 33 -12.145 -1.013 -17.301 227 HA LEU 33 HA LEU 33 -14.994 -1.588 -16.871 228 HB2 LEU 33 1HB LEU 33 -13.461 0.945 -16.307 229 HB3 LEU 33 2HB LEU 33 -15.145 0.628 -15.891 230 HG LEU 33 HG LEU 33 -12.723 -0.732 -14.713 231 HD11 LEU 33 1HD1 LEU 33 -14.649 1.323 -13.657 232 HD12 LEU 33 2HD1 LEU 33 -12.900 1.458 -13.827 233 HD13 LEU 33 3HD1 LEU 33 -13.586 0.368 -12.623 234 HD21 LEU 33 3HD2 LEU 33 -14.452 -1.688 -13.141 235 HD22 LEU 33 1HD2 LEU 33 -14.448 -2.349 -14.776 236 HD23 LEU 33 2HD2 LEU 33 -15.672 -1.170 -14.305 237 H SER 34 H SER 34 -16.554 -0.071 -17.822 238 HA SER 34 HA SER 34 -15.702 0.714 -20.523 239 HB2 SER 34 1HB SER 34 -17.529 -0.958 -20.371 240 HB3 SER 34 2HB SER 34 -18.503 0.216 -19.485 241 HG SER 34 HG SER 34 -18.612 -0.045 -21.973 242 H LEU 35 H LEU 35 -16.574 2.676 -21.441 243 HA LEU 35 HA LEU 35 -17.529 4.662 -19.516 244 HB2 LEU 35 1HB LEU 35 -15.259 5.225 -21.411 245 HB3 LEU 35 2HB LEU 35 -15.912 6.295 -20.172 246 HG LEU 35 HG LEU 35 -14.563 3.690 -19.504 247 HD11 LEU 35 1HD1 LEU 35 -12.501 4.802 -19.238 248 HD12 LEU 35 2HD1 LEU 35 -13.234 6.386 -19.488 249 HD13 LEU 35 3HD1 LEU 35 -13.092 5.259 -20.836 250 HD21 LEU 35 3HD2 LEU 35 -15.882 4.539 -17.714 251 HD22 LEU 35 1HD2 LEU 35 -15.265 6.174 -17.953 252 HD23 LEU 35 2HD2 LEU 35 -14.197 4.909 -17.343 253 H ASP 36 H ASP 36 -18.058 6.776 -20.737 254 HA ASP 36 HA ASP 36 -19.701 6.028 -23.023 255 HB2 ASP 36 1HB ASP 36 -19.587 8.712 -21.645 256 HB3 ASP 36 2HB ASP 36 -20.868 8.088 -22.680 257 H CYS 37 H CYS 37 -16.690 6.448 -23.061 258 HA CYS 37 HA CYS 37 -16.611 8.517 -25.157 259 HB2 CYS 37 1HB CYS 37 -14.344 8.953 -24.607 260 HB3 CYS 37 2HB CYS 37 -15.201 8.866 -23.072 261 H GLY 38 H GLY 38 -15.419 5.311 -24.230 262 HA2 GLY 38 1HA GLY 38 -15.626 3.601 -26.023 263 HA3 GLY 38 2HA GLY 38 -14.901 4.791 -27.094 264 H HIS 39 H HIS 39 -13.862 4.231 -23.789 265 HA HIS 39 HA HIS 39 -11.542 2.716 -24.707 266 HB2 HIS 39 1HB HIS 39 -11.329 5.316 -23.176 267 HB3 HIS 39 2HB HIS 39 -9.989 4.216 -23.487 268 HD2 HIS 39 2HD HIS 39 -9.815 3.803 -26.522 269 HE1 HIS 39 1HE HIS 39 -10.713 7.914 -27.062 270 HE2 HIS 39 2HE HIS 39 -9.876 5.806 -28.157 271 H SER 40 H SER 40 -10.971 1.168 -23.307 272 HA SER 40 HA SER 40 -12.379 1.064 -20.748 273 HB2 SER 40 1HB SER 40 -10.646 -1.168 -21.728 274 HB3 SER 40 2HB SER 40 -12.154 -1.237 -20.816 275 HG SER 40 HG SER 40 -11.738 -0.979 -23.563 276 H PHE 41 H PHE 41 -11.239 0.387 -18.811 277 HA PHE 41 HA PHE 41 -8.362 0.671 -18.749 278 HB2 PHE 41 1HB PHE 41 -10.097 2.609 -17.204 279 HB3 PHE 41 2HB PHE 41 -8.340 2.512 -17.146 280 HD1 PHE 41 2HD PHE 41 -11.200 3.262 -19.372 281 HD2 PHE 41 1HD PHE 41 -7.018 3.665 -18.694 282 HE1 PHE 41 2HE PHE 41 -11.057 4.865 -21.234 283 HE2 PHE 41 1HE PHE 41 -6.867 5.269 -20.554 284 HZ PHE 41 HZ PHE 41 -8.888 5.870 -21.827 285 H CYS 42 H CYS 42 -7.677 0.671 -16.278 286 HA CYS 42 HA CYS 42 -8.916 -1.702 -15.163 287 HB2 CYS 42 1HB CYS 42 -6.500 -0.109 -14.281 288 HB3 CYS 42 2HB CYS 42 -7.033 -1.616 -13.544 289 H GLN 43 H GLN 43 -10.100 -1.816 -13.328 290 HA GLN 43 HA GLN 43 -11.605 0.292 -12.428 291 HB2 GLN 43 1HB GLN 43 -12.253 -1.936 -11.869 292 HB3 GLN 43 2HB GLN 43 -10.755 -2.221 -10.993 293 HG2 GLN 43 1HG GLN 43 -12.332 -1.907 -9.322 294 HG3 GLN 43 2HG GLN 43 -11.522 -0.346 -9.437 295 HE21 GLN 43 1HE2 GLN 43 -12.611 1.393 -10.407 296 HE22 GLN 43 2HE2 GLN 43 -14.331 1.405 -10.564 297 H ALA 44 H ALA 44 -8.332 -0.456 -11.657 298 HA ALA 44 HA ALA 44 -8.315 1.362 -9.366 299 HB1 ALA 44 3HB ALA 44 -7.126 -0.942 -9.472 300 HB2 ALA 44 1HB ALA 44 -5.891 -0.066 -10.377 301 HB3 ALA 44 2HB ALA 44 -6.297 0.428 -8.733 302 H CYS 45 H CYS 45 -6.389 0.871 -12.333 303 HA CYS 45 HA CYS 45 -4.871 3.123 -12.346 304 HB2 CYS 45 1HB CYS 45 -6.275 1.830 -14.691 305 HB3 CYS 45 2HB CYS 45 -5.012 3.047 -14.853 306 H LEU 46 H LEU 46 -8.277 2.885 -13.224 307 HA LEU 46 HA LEU 46 -8.571 5.510 -14.217 308 HB2 LEU 46 1HB LEU 46 -10.361 3.337 -13.331 309 HB3 LEU 46 2HB LEU 46 -11.039 4.963 -13.289 310 HG LEU 46 HG LEU 46 -9.726 3.949 -15.780 311 HD11 LEU 46 1HD1 LEU 46 -12.564 3.396 -14.928 312 HD12 LEU 46 2HD1 LEU 46 -11.291 2.201 -15.169 313 HD13 LEU 46 3HD1 LEU 46 -11.906 3.122 -16.542 314 HD21 LEU 46 3HD2 LEU 46 -12.036 5.832 -15.321 315 HD22 LEU 46 1HD2 LEU 46 -11.209 5.516 -16.846 316 HD23 LEU 46 2HD2 LEU 46 -10.358 6.333 -15.535 317 H THR 47 H THR 47 -9.033 4.122 -10.991 318 HA THR 47 HA THR 47 -10.006 6.465 -9.758 319 HB THR 47 HB THR 47 -8.530 4.128 -8.529 320 HG1 THR 47 1HG THR 47 -11.317 4.648 -8.451 321 HG21 THR 47 3HG2 THR 47 -9.253 4.865 -6.408 322 HG22 THR 47 1HG2 THR 47 -10.341 6.064 -7.105 323 HG23 THR 47 2HG2 THR 47 -8.595 6.300 -7.194 324 H ALA 48 H ALA 48 -6.734 5.115 -10.027 325 HA ALA 48 HA ALA 48 -5.479 7.159 -8.505 326 HB1 ALA 48 3HB ALA 48 -4.617 4.800 -9.106 327 HB2 ALA 48 1HB ALA 48 -4.048 5.561 -10.593 328 HB3 ALA 48 2HB ALA 48 -3.465 6.134 -9.029 329 H ASN 49 H ASN 49 -5.935 6.644 -11.983 330 HA ASN 49 HA ASN 49 -4.414 8.809 -12.895 331 HB2 ASN 49 1HB ASN 49 -5.355 6.930 -14.292 332 HB3 ASN 49 2HB ASN 49 -6.917 7.740 -14.210 333 HD21 ASN 49 1HD2 ASN 49 -7.365 9.229 -15.681 334 HD22 ASN 49 2HD2 ASN 49 -6.227 9.934 -16.774 335 H HIS 50 H HIS 50 -7.896 8.601 -12.195 336 HA HIS 50 HA HIS 50 -8.713 11.118 -12.900 337 HB2 HIS 50 1HB HIS 50 -9.567 9.480 -10.506 338 HB3 HIS 50 2HB HIS 50 -10.422 10.908 -11.081 339 HD2 HIS 50 2HD HIS 50 -9.808 9.613 -14.326 340 HE1 HIS 50 1HE HIS 50 -12.893 7.039 -12.963 341 HE2 HIS 50 2HE HIS 50 -11.561 7.818 -14.954 342 H LYS 51 H LYS 51 -7.407 10.160 -9.727 343 HA LYS 51 HA LYS 51 -7.482 12.642 -8.492 344 HB2 LYS 51 1HB LYS 51 -5.612 10.302 -8.167 345 HB3 LYS 51 2HB LYS 51 -5.485 11.740 -7.162 346 HG2 LYS 51 1HG LYS 51 -7.472 11.324 -6.076 347 HG3 LYS 51 2HG LYS 51 -8.106 10.336 -7.394 348 HD2 LYS 51 1HD LYS 51 -6.090 8.773 -6.764 349 HD3 LYS 51 2HD LYS 51 -6.205 9.609 -5.213 350 HE2 LYS 51 1HE LYS 51 -8.515 8.942 -4.982 351 HE3 LYS 51 2HE LYS 51 -8.500 8.218 -6.590 352 HZ1 LYS 51 3HZ LYS 51 -8.248 6.610 -4.733 353 HZ2 LYS 51 1HZ LYS 51 -6.757 7.318 -4.364 354 HZ3 LYS 51 2HZ LYS 51 -6.985 6.557 -5.857 355 H LYS 52 H LYS 52 -5.113 11.308 -10.720 356 HA LYS 52 HA LYS 52 -3.030 13.101 -10.419 357 HB2 LYS 52 1HB LYS 52 -3.471 11.022 -12.059 358 HB3 LYS 52 2HB LYS 52 -3.748 12.334 -13.197 359 HG2 LYS 52 1HG LYS 52 -1.307 12.503 -11.537 360 HG3 LYS 52 2HG LYS 52 -1.350 11.251 -12.781 361 HD2 LYS 52 1HD LYS 52 -0.551 12.935 -14.070 362 HD3 LYS 52 2HD LYS 52 -2.266 13.325 -14.213 363 HE2 LYS 52 1HE LYS 52 -2.116 15.107 -12.754 364 HE3 LYS 52 2HE LYS 52 -0.681 14.467 -11.955 365 HZ1 LYS 52 3HZ LYS 52 0.217 14.865 -14.447 366 HZ2 LYS 52 1HZ LYS 52 0.369 15.990 -13.192 367 HZ3 LYS 52 2HZ LYS 52 -0.894 16.133 -14.308 368 H SER 53 H SER 53 -5.667 13.352 -12.814 369 HA SER 53 HA SER 53 -4.996 16.088 -13.400 370 HB2 SER 53 1HB SER 53 -7.097 15.966 -14.817 371 HB3 SER 53 2HB SER 53 -5.840 14.797 -15.224 372 HG SER 53 HG SER 53 -7.926 13.842 -15.106 373 H MET 54 H MET 54 -5.557 15.739 -10.675 374 HA MET 54 HA MET 54 -8.069 17.257 -10.406 375 HB2 MET 54 1HB MET 54 -7.953 14.880 -9.404 376 HB3 MET 54 2HB MET 54 -6.894 15.592 -8.194 377 HG2 MET 54 1HG MET 54 -8.569 16.801 -7.230 378 HG3 MET 54 2HG MET 54 -9.503 16.903 -8.721 379 HE1 MET 54 3HE MET 54 -10.461 13.341 -9.283 380 HE2 MET 54 1HE MET 54 -11.763 14.503 -9.025 381 HE3 MET 54 2HE MET 54 -10.307 14.990 -9.892 382 H LEU 55 H LEU 55 -4.698 17.133 -9.839 383 HA LEU 55 HA LEU 55 -4.770 19.284 -7.868 384 HB2 LEU 55 1HB LEU 55 -2.394 17.865 -9.059 385 HB3 LEU 55 2HB LEU 55 -2.382 18.956 -7.675 386 HG LEU 55 HG LEU 55 -4.066 17.120 -6.725 387 HD11 LEU 55 1HD1 LEU 55 -3.370 15.935 -9.093 388 HD12 LEU 55 2HD1 LEU 55 -4.003 15.101 -7.674 389 HD13 LEU 55 3HD1 LEU 55 -2.263 15.181 -7.946 390 HD21 LEU 55 3HD2 LEU 55 -2.342 16.435 -5.358 391 HD22 LEU 55 1HD2 LEU 55 -1.719 17.966 -5.971 392 HD23 LEU 55 2HD2 LEU 55 -1.158 16.445 -6.665 393 H ASP 56 H ASP 56 -3.870 18.673 -11.204 394 HA ASP 56 HA ASP 56 -2.667 21.241 -11.615 395 HB2 ASP 56 1HB ASP 56 -2.179 19.135 -12.948 396 HB3 ASP 56 2HB ASP 56 -3.727 19.387 -13.749 397 H LYS 57 H LYS 57 -5.759 19.771 -12.588 398 HA LYS 57 HA LYS 57 -6.829 22.494 -12.947 399 HB2 LYS 57 1HB LYS 57 -8.468 21.338 -14.548 400 HB3 LYS 57 2HB LYS 57 -6.820 21.584 -15.109 401 HG2 LYS 57 1HG LYS 57 -6.392 19.196 -14.272 402 HG3 LYS 57 2HG LYS 57 -8.151 19.046 -14.244 403 HD2 LYS 57 1HD LYS 57 -6.661 19.993 -16.678 404 HD3 LYS 57 2HD LYS 57 -6.953 18.282 -16.361 405 HE2 LYS 57 1HE LYS 57 -9.249 20.174 -16.233 406 HE3 LYS 57 2HE LYS 57 -8.621 19.716 -17.816 407 HZ1 LYS 57 3HZ LYS 57 -9.517 17.699 -17.653 408 HZ2 LYS 57 1HZ LYS 57 -10.431 18.309 -16.367 409 HZ3 LYS 57 2HZ LYS 57 -8.991 17.477 -16.061 410 H GLY 58 H GLY 58 -7.761 19.130 -12.219 411 HA2 GLY 58 1HA GLY 58 -8.883 19.002 -9.934 412 HA3 GLY 58 2HA GLY 58 -9.984 20.199 -10.599 413 H GLU 59 H GLU 59 -10.978 19.498 -12.774 414 HA GLU 59 HA GLU 59 -12.430 17.104 -12.301 415 HB2 GLU 59 1HB GLU 59 -12.358 19.175 -14.436 416 HB3 GLU 59 2HB GLU 59 -13.080 17.623 -14.837 417 HG2 GLU 59 1HG GLU 59 -14.472 17.938 -12.712 418 HG3 GLU 59 2HG GLU 59 -13.950 19.620 -12.784 419 H SER 60 H SER 60 -12.183 15.088 -13.085 420 HA SER 60 HA SER 60 -9.717 14.519 -14.536 421 HB2 SER 60 1HB SER 60 -9.913 13.083 -12.697 422 HB3 SER 60 2HB SER 60 -11.645 12.853 -12.940 423 HG SER 60 HG SER 60 -11.158 11.624 -14.788 424 H SER 61 H SER 61 -9.726 12.980 -16.320 425 HA SER 61 HA SER 61 -12.179 12.445 -17.714 426 HB2 SER 61 1HB SER 61 -10.216 14.386 -18.958 427 HB3 SER 61 2HB SER 61 -11.663 13.738 -19.729 428 HG SER 61 HG SER 61 -11.415 15.662 -17.724 429 H CYS 62 H CYS 62 -11.854 11.145 -19.631 430 HA CYS 62 HA CYS 62 -10.147 9.050 -19.376 431 HB2 CYS 62 1HB CYS 62 -11.971 9.067 -20.995 432 HB3 CYS 62 2HB CYS 62 -11.124 10.264 -21.969 433 HA PRO 63 HA PRO 63 -6.143 10.879 -20.044 434 HB2 PRO 63 1HB PRO 63 -4.736 8.571 -19.788 435 HB3 PRO 63 2HB PRO 63 -5.393 9.455 -18.405 436 HG2 PRO 63 1HG PRO 63 -6.490 7.050 -19.810 437 HG3 PRO 63 2HG PRO 63 -6.389 7.380 -18.071 438 HD2 PRO 63 1HD PRO 63 -8.675 7.705 -19.485 439 HD3 PRO 63 2HD PRO 63 -8.263 8.721 -18.089 440 H VAL 64 H VAL 64 -7.950 9.178 -22.148 441 HA VAL 64 HA VAL 64 -5.762 8.870 -24.099 442 HB VAL 64 HB VAL 64 -8.467 7.524 -24.101 443 HG11 VAL 64 1HG1 VAL 64 -6.160 7.482 -26.015 444 HG12 VAL 64 2HG1 VAL 64 -7.285 6.127 -25.906 445 HG13 VAL 64 3HG1 VAL 64 -7.874 7.730 -26.347 446 HG21 VAL 64 3HG2 VAL 64 -5.764 6.269 -23.664 447 HG22 VAL 64 1HG2 VAL 64 -6.839 6.752 -22.352 448 HG23 VAL 64 2HG2 VAL 64 -7.348 5.511 -23.497 449 H CYS 65 H CYS 65 -9.079 10.013 -23.648 450 HA CYS 65 HA CYS 65 -8.690 11.804 -25.948 451 HB2 CYS 65 1HB CYS 65 -10.999 11.469 -26.638 452 HB3 CYS 65 2HB CYS 65 -10.156 9.924 -26.607 453 H ARG 66 H ARG 66 -9.742 11.309 -22.731 454 HA ARG 66 HA ARG 66 -10.457 12.721 -21.098 455 HB2 ARG 66 1HB ARG 66 -9.766 14.955 -23.008 456 HB3 ARG 66 2HB ARG 66 -9.897 15.056 -21.258 457 HG2 ARG 66 1HG ARG 66 -7.924 13.164 -22.424 458 HG3 ARG 66 2HG ARG 66 -7.564 14.891 -22.450 459 HD2 ARG 66 1HD ARG 66 -8.271 14.763 -19.931 460 HD3 ARG 66 2HD ARG 66 -7.895 13.051 -20.125 461 HE ARG 66 HE ARG 66 -5.651 13.585 -20.347 462 HH11 ARG 66 1HH1 ARG 66 -7.600 16.468 -20.245 463 HH12 ARG 66 2HH1 ARG 66 -6.250 17.529 -20.010 464 HH21 ARG 66 1HH2 ARG 66 -3.866 14.971 -20.037 465 HH22 ARG 66 2HH2 ARG 66 -4.127 16.676 -19.892 466 H ILE 67 H ILE 67 -12.477 11.638 -22.444 467 HA ILE 67 HA ILE 67 -14.267 13.319 -23.768 468 HB ILE 67 HB ILE 67 -14.380 10.779 -23.516 469 HG12 ILE 67 1HG1 ILE 67 -16.876 10.788 -23.690 470 HG13 ILE 67 2HG1 ILE 67 -16.864 12.474 -23.184 471 HG21 ILE 67 1HG2 ILE 67 -15.635 11.635 -20.921 472 HG22 ILE 67 2HG2 ILE 67 -15.954 10.068 -21.664 473 HG23 ILE 67 3HG2 ILE 67 -14.314 10.494 -21.174 474 HD11 ILE 67 3HD1 ILE 67 -16.683 13.039 -25.311 475 HD12 ILE 67 1HD1 ILE 67 -15.076 12.313 -25.325 476 HD13 ILE 67 2HD1 ILE 67 -16.482 11.353 -25.789 477 H SER 68 H SER 68 -16.253 14.273 -23.033 478 HA SER 68 HA SER 68 -15.913 15.705 -20.560 479 HB2 SER 68 1HB SER 68 -17.956 16.898 -21.218 480 HB3 SER 68 2HB SER 68 -16.814 16.826 -22.560 481 HG SER 68 HG SER 68 -19.313 16.021 -22.547 482 H TYR 69 H TYR 69 -16.099 14.202 -18.910 483 HA TYR 69 HA TYR 69 -18.780 13.593 -18.098 484 HB2 TYR 69 1HB TYR 69 -18.764 11.263 -18.197 485 HB3 TYR 69 2HB TYR 69 -18.021 11.719 -19.725 486 HD1 TYR 69 2HD TYR 69 -15.275 12.332 -18.966 487 HD2 TYR 69 1HD TYR 69 -17.836 9.226 -17.588 488 HE1 TYR 69 2HE TYR 69 -13.308 10.959 -18.423 489 HE2 TYR 69 1HE TYR 69 -15.876 7.845 -17.040 490 HH TYR 69 HH TYR 69 -13.341 8.402 -16.445 491 H GLN 70 H GLN 70 -18.719 12.268 -15.990 492 HA GLN 70 HA GLN 70 -16.462 13.258 -14.385 493 HB2 GLN 70 1HB GLN 70 -19.352 12.759 -13.728 494 HB3 GLN 70 2HB GLN 70 -18.138 12.852 -12.459 495 HG2 GLN 70 1HG GLN 70 -17.565 15.102 -13.120 496 HG3 GLN 70 2HG GLN 70 -18.686 15.015 -14.478 497 HE21 GLN 70 1HE2 GLN 70 -18.339 16.363 -11.600 498 HE22 GLN 70 2HE2 GLN 70 -19.980 16.432 -11.065 499 HA PRO 71 HA PRO 71 -15.179 9.152 -13.492 500 HB2 PRO 71 1HB PRO 71 -14.044 9.529 -11.055 501 HB3 PRO 71 2HB PRO 71 -13.301 10.090 -12.557 502 HG2 PRO 71 1HG PRO 71 -14.908 11.624 -10.550 503 HG3 PRO 71 2HG PRO 71 -13.418 12.097 -11.388 504 HD2 PRO 71 1HD PRO 71 -15.863 12.967 -12.160 505 HD3 PRO 71 2HD PRO 71 -14.541 12.692 -13.311 506 H GLU 72 H GLU 72 -17.041 10.879 -11.036 507 HA GLU 72 HA GLU 72 -17.688 8.554 -9.514 508 HB2 GLU 72 1HB GLU 72 -18.619 11.394 -9.560 509 HB3 GLU 72 2HB GLU 72 -19.578 10.200 -8.697 510 HG2 GLU 72 1HG GLU 72 -16.713 10.953 -8.186 511 HG3 GLU 72 2HG GLU 72 -18.105 11.254 -7.147 512 H ASN 73 H ASN 73 -19.037 10.110 -12.306 513 HA ASN 73 HA ASN 73 -21.560 8.699 -12.133 514 HB2 ASN 73 1HB ASN 73 -21.024 11.065 -13.190 515 HB3 ASN 73 2HB ASN 73 -20.675 10.099 -14.621 516 HD21 ASN 73 1HD2 ASN 73 -22.411 10.983 -15.736 517 HD22 ASN 73 2HD2 ASN 73 -24.045 10.550 -15.383 518 H ILE 74 H ILE 74 -19.650 6.820 -12.060 519 HA ILE 74 HA ILE 74 -19.939 5.519 -14.674 520 HB ILE 74 HB ILE 74 -17.383 5.386 -13.077 521 HG12 ILE 74 1HG1 ILE 74 -17.922 6.956 -15.607 522 HG13 ILE 74 2HG1 ILE 74 -17.788 7.663 -14.001 523 HG21 ILE 74 1HG2 ILE 74 -17.470 4.715 -15.946 524 HG22 ILE 74 2HG2 ILE 74 -16.601 3.940 -14.622 525 HG23 ILE 74 3HG2 ILE 74 -18.316 3.607 -14.866 526 HD11 ILE 74 3HD1 ILE 74 -15.653 6.356 -15.646 527 HD12 ILE 74 1HD1 ILE 74 -15.707 8.000 -15.013 528 HD13 ILE 74 2HD1 ILE 74 -15.469 6.640 -13.916 529 H ARG 75 H ARG 75 -20.166 3.292 -14.619 530 HA ARG 75 HA ARG 75 -19.927 1.869 -12.106 531 HB2 ARG 75 1HB ARG 75 -22.216 1.147 -11.985 532 HB3 ARG 75 2HB ARG 75 -22.197 2.904 -12.041 533 HG2 ARG 75 1HG ARG 75 -22.639 2.725 -14.509 534 HG3 ARG 75 2HG ARG 75 -22.908 1.000 -14.253 535 HD2 ARG 75 1HD ARG 75 -24.787 1.386 -12.894 536 HD3 ARG 75 2HD ARG 75 -24.379 3.087 -12.674 537 HE ARG 75 HE ARG 75 -24.793 3.004 -15.299 538 HH11 ARG 75 1HH1 ARG 75 -26.635 1.647 -12.675 539 HH12 ARG 75 2HH1 ARG 75 -28.152 1.770 -13.504 540 HH21 ARG 75 1HH2 ARG 75 -26.783 3.171 -16.400 541 HH22 ARG 75 2HH2 ARG 75 -28.234 2.637 -15.623 542 HA PRO 76 HA PRO 76 -18.845 -1.392 -14.852 543 HB2 PRO 76 1HB PRO 76 -19.262 -3.517 -13.214 544 HB3 PRO 76 2HB PRO 76 -17.892 -2.415 -13.029 545 HG2 PRO 76 1HG PRO 76 -20.489 -2.475 -11.541 546 HG3 PRO 76 2HG PRO 76 -18.847 -2.233 -10.916 547 HD2 PRO 76 1HD PRO 76 -20.564 -0.182 -11.334 548 HD3 PRO 76 2HD PRO 76 -18.808 -0.011 -11.526 549 H ASN 77 H ASN 77 -19.792 -3.834 -15.189 550 HA ASN 77 HA ASN 77 -22.701 -3.596 -15.551 551 HB2 ASN 77 1HB ASN 77 -20.968 -4.898 -17.635 552 HB3 ASN 77 2HB ASN 77 -22.619 -4.303 -17.788 553 HD21 ASN 77 1HD2 ASN 77 -19.255 -3.452 -17.717 554 HD22 ASN 77 2HD2 ASN 77 -19.440 -1.844 -18.324 555 H ARG 78 H ARG 78 -21.723 -4.912 -13.416 556 HA ARG 78 HA ARG 78 -21.617 -7.754 -14.116 557 HB2 ARG 78 1HB ARG 78 -19.939 -6.715 -12.528 558 HB3 ARG 78 2HB ARG 78 -21.261 -6.523 -11.384 559 HG2 ARG 78 1HG ARG 78 -20.588 -9.195 -12.561 560 HG3 ARG 78 2HG ARG 78 -19.747 -8.565 -11.143 561 HD2 ARG 78 1HD ARG 78 -21.965 -8.275 -10.044 562 HD3 ARG 78 2HD ARG 78 -22.703 -9.080 -11.428 563 HE ARG 78 HE ARG 78 -20.650 -10.695 -10.367 564 HH11 ARG 78 1HH1 ARG 78 -23.867 -9.574 -9.649 565 HH12 ARG 78 2HH1 ARG 78 -24.280 -10.964 -8.700 566 HH21 ARG 78 1HH2 ARG 78 -21.182 -12.530 -9.121 567 HH22 ARG 78 2HH2 ARG 78 -22.752 -12.644 -8.400 568 H HIS 79 H HIS 79 -23.341 -5.579 -11.883 569 HA HIS 79 HA HIS 79 -25.197 -7.436 -10.934 570 HB2 HIS 79 1HB HIS 79 -24.757 -5.127 -10.015 571 HB3 HIS 79 2HB HIS 79 -25.730 -4.490 -11.337 572 HD2 HIS 79 2HD HIS 79 -26.933 -3.899 -8.465 573 HE1 HIS 79 1HE HIS 79 -29.478 -7.230 -9.115 574 HE2 HIS 79 2HE HIS 79 -29.131 -5.099 -7.818 575 H VAL 80 H VAL 80 -26.327 -8.691 -12.297 576 HA VAL 80 HA VAL 80 -27.769 -7.387 -14.511 577 HB VAL 80 HB VAL 80 -27.929 -9.637 -15.530 578 HG11 VAL 80 1HG1 VAL 80 -25.800 -9.607 -16.466 579 HG12 VAL 80 2HG1 VAL 80 -26.007 -7.953 -15.887 580 HG13 VAL 80 3HG1 VAL 80 -25.038 -9.099 -14.960 581 HG21 VAL 80 3HG2 VAL 80 -26.612 -11.479 -14.664 582 HG22 VAL 80 1HG2 VAL 80 -26.058 -10.480 -13.320 583 HG23 VAL 80 2HG2 VAL 80 -27.758 -10.932 -13.440 584 H ALA 81 H ALA 81 -29.930 -8.098 -14.967 585 HA ALA 81 HA ALA 81 -31.419 -8.670 -12.536 586 HB1 ALA 81 3HB ALA 81 -32.916 -8.361 -15.041 587 HB2 ALA 81 1HB ALA 81 -33.133 -7.569 -13.480 588 HB3 ALA 81 2HB ALA 81 -31.907 -6.982 -14.604 589 H ASN 82 H ASN 82 -30.969 -10.863 -12.194 590 HA ASN 82 HA ASN 82 -32.364 -12.670 -14.045 591 HB2 ASN 82 1HB ASN 82 -29.982 -12.952 -14.452 592 HB3 ASN 82 2HB ASN 82 -29.686 -13.171 -12.730 593 HD21 ASN 82 1HD2 ASN 82 -28.662 -15.153 -13.578 594 HD22 ASN 82 2HD2 ASN 82 -29.651 -16.555 -13.776 595 H ILE 83 H ILE 83 -34.149 -12.599 -12.617 596 HA ILE 83 HA ILE 83 -33.709 -13.896 -10.011 597 HB ILE 83 HB ILE 83 -36.034 -12.188 -10.906 598 HG12 ILE 83 1HG1 ILE 83 -34.171 -11.491 -8.671 599 HG13 ILE 83 2HG1 ILE 83 -33.663 -11.191 -10.329 600 HG21 ILE 83 1HG2 ILE 83 -36.865 -12.379 -8.655 601 HG22 ILE 83 2HG2 ILE 83 -36.642 -13.994 -9.324 602 HG23 ILE 83 3HG2 ILE 83 -35.468 -13.344 -8.181 603 HD11 ILE 83 3HD1 ILE 83 -34.688 -9.234 -9.228 604 HD12 ILE 83 1HD1 ILE 83 -35.530 -9.735 -10.694 605 HD13 ILE 83 2HD1 ILE 83 -36.200 -10.134 -9.111 606 H VAL 84 H VAL 84 -34.493 -15.874 -9.687 607 HA VAL 84 HA VAL 84 -36.109 -17.101 -11.783 608 HB VAL 84 HB VAL 84 -35.624 -19.226 -10.680 609 HG11 VAL 84 1HG1 VAL 84 -34.022 -18.552 -12.296 610 HG12 VAL 84 2HG1 VAL 84 -33.259 -17.428 -11.169 611 HG13 VAL 84 3HG1 VAL 84 -33.118 -19.168 -10.913 612 HG21 VAL 84 3HG2 VAL 84 -33.716 -18.841 -8.809 613 HG22 VAL 84 1HG2 VAL 84 -34.739 -17.436 -8.516 614 HG23 VAL 84 2HG2 VAL 84 -35.426 -19.058 -8.438 615 H GLU 85 H GLU 85 -38.139 -17.922 -11.490 616 HA GLU 85 HA GLU 85 -39.491 -17.130 -9.006 617 HB2 GLU 85 1HB GLU 85 -40.232 -16.378 -11.399 618 HB3 GLU 85 2HB GLU 85 -40.938 -17.985 -11.485 619 HG2 GLU 85 1HG GLU 85 -42.117 -17.425 -9.313 620 HG3 GLU 85 2HG GLU 85 -41.612 -15.759 -9.592 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -5.117 -21.911 -11.948 2 HA2 GLY 1 1HA GLY 1 -4.721 -19.950 -9.918 3 HA3 GLY 1 2HA GLY 1 -5.581 -21.345 -9.284 4 H SER 2 H SER 2 -4.027 -22.183 -7.979 5 HA SER 2 HA SER 2 -2.017 -23.069 -7.321 6 HB2 SER 2 1HB SER 2 -2.464 -24.375 -10.011 7 HB3 SER 2 2HB SER 2 -1.232 -24.903 -8.865 8 HG SER 2 HG SER 2 -3.916 -24.649 -8.055 9 H SER 3 H SER 3 -1.646 -20.523 -8.357 10 HA SER 3 HA SER 3 0.587 -20.620 -10.209 11 HB2 SER 3 1HB SER 3 -1.109 -18.470 -9.024 12 HB3 SER 3 2HB SER 3 0.506 -18.036 -9.584 13 HG SER 3 HG SER 3 -0.214 -19.251 -11.578 14 H GLY 4 H GLY 4 2.667 -20.628 -9.649 15 HA2 GLY 4 1HA GLY 4 3.831 -19.262 -7.522 16 HA3 GLY 4 2HA GLY 4 3.463 -20.880 -6.941 17 H SER 5 H SER 5 3.943 -22.299 -9.333 18 HA SER 5 HA SER 5 6.630 -22.893 -9.123 19 HB2 SER 5 1HB SER 5 4.645 -24.096 -10.388 20 HB3 SER 5 2HB SER 5 5.296 -23.231 -11.780 21 HG SER 5 HG SER 5 7.319 -24.336 -10.446 22 H SER 6 H SER 6 8.380 -22.600 -10.677 23 HA SER 6 HA SER 6 8.281 -20.482 -12.590 24 HB2 SER 6 1HB SER 6 9.904 -18.989 -11.446 25 HB3 SER 6 2HB SER 6 8.363 -19.089 -10.595 26 HG SER 6 HG SER 6 10.656 -20.630 -9.946 27 H GLY 7 H GLY 7 9.759 -20.883 -14.111 28 HA2 GLY 7 1HA GLY 7 11.773 -22.929 -13.564 29 HA3 GLY 7 2HA GLY 7 11.282 -22.353 -15.150 30 H MET 8 H MET 8 11.859 -19.993 -15.577 31 HA MET 8 HA MET 8 14.640 -19.603 -14.727 32 HB2 MET 8 1HB MET 8 13.083 -18.752 -17.149 33 HB3 MET 8 2HB MET 8 14.574 -17.929 -16.711 34 HG2 MET 8 1HG MET 8 15.678 -20.199 -16.722 35 HG3 MET 8 2HG MET 8 14.203 -20.809 -17.468 36 HE1 MET 8 3HE MET 8 17.229 -20.884 -19.503 37 HE2 MET 8 1HE MET 8 17.788 -19.229 -19.258 38 HE3 MET 8 2HE MET 8 17.386 -20.238 -17.868 39 H ALA 9 H ALA 9 15.359 -17.675 -13.872 40 HA ALA 9 HA ALA 9 13.938 -16.271 -12.085 41 HB1 ALA 9 3HB ALA 9 15.745 -14.572 -13.693 42 HB2 ALA 9 1HB ALA 9 15.686 -14.840 -11.951 43 HB3 ALA 9 2HB ALA 9 16.441 -16.039 -13.003 44 H SER 10 H SER 10 14.396 -15.089 -15.424 45 HA SER 10 HA SER 10 12.649 -12.927 -15.259 46 HB2 SER 10 1HB SER 10 13.756 -14.557 -17.504 47 HB3 SER 10 2HB SER 10 12.436 -13.443 -17.854 48 HG SER 10 HG SER 10 15.045 -12.913 -17.413 49 H GLY 11 H GLY 11 10.591 -13.026 -14.637 50 HA2 GLY 11 1HA GLY 11 8.973 -15.368 -15.158 51 HA3 GLY 11 2HA GLY 11 8.482 -13.935 -14.268 52 H ILE 12 H ILE 12 9.687 -14.349 -17.589 53 HA ILE 12 HA ILE 12 7.419 -12.764 -18.536 54 HB ILE 12 HB ILE 12 8.639 -12.553 -20.636 55 HG12 ILE 12 1HG1 ILE 12 11.160 -13.430 -20.345 56 HG13 ILE 12 2HG1 ILE 12 10.333 -14.648 -19.380 57 HG21 ILE 12 1HG2 ILE 12 10.170 -11.001 -19.894 58 HG22 ILE 12 2HG2 ILE 12 9.137 -11.178 -18.476 59 HG23 ILE 12 3HG2 ILE 12 10.693 -12.005 -18.542 60 HD11 ILE 12 3HD1 ILE 12 10.652 -14.576 -22.158 61 HD12 ILE 12 1HD1 ILE 12 9.710 -15.722 -21.205 62 HD13 ILE 12 2HD1 ILE 12 8.943 -14.270 -21.849 63 H LEU 13 H LEU 13 5.855 -13.542 -19.844 64 HA LEU 13 HA LEU 13 5.984 -16.404 -20.517 65 HB2 LEU 13 1HB LEU 13 3.593 -14.614 -20.108 66 HB3 LEU 13 2HB LEU 13 3.516 -16.306 -20.593 67 HG LEU 13 HG LEU 13 4.504 -15.235 -17.951 68 HD11 LEU 13 1HD1 LEU 13 2.022 -16.712 -18.788 69 HD12 LEU 13 2HD1 LEU 13 2.141 -15.136 -18.007 70 HD13 LEU 13 3HD1 LEU 13 2.559 -16.597 -17.112 71 HD21 LEU 13 3HD2 LEU 13 5.811 -17.168 -18.589 72 HD22 LEU 13 1HD2 LEU 13 4.344 -18.065 -18.982 73 HD23 LEU 13 2HD2 LEU 13 4.678 -17.610 -17.311 74 H VAL 14 H VAL 14 6.002 -16.991 -22.588 75 HA VAL 14 HA VAL 14 6.046 -15.008 -24.653 76 HB VAL 14 HB VAL 14 7.496 -16.816 -25.028 77 HG11 VAL 14 1HG1 VAL 14 5.954 -19.132 -25.276 78 HG12 VAL 14 2HG1 VAL 14 7.102 -18.744 -23.992 79 HG13 VAL 14 3HG1 VAL 14 5.393 -18.352 -23.797 80 HG21 VAL 14 3HG2 VAL 14 7.020 -17.099 -27.194 81 HG22 VAL 14 1HG2 VAL 14 5.518 -17.953 -26.837 82 HG23 VAL 14 2HG2 VAL 14 5.544 -16.190 -26.868 83 H ASN 15 H ASN 15 4.256 -14.095 -25.408 84 HA ASN 15 HA ASN 15 2.094 -15.748 -26.378 85 HB2 ASN 15 1HB ASN 15 0.334 -14.723 -25.098 86 HB3 ASN 15 2HB ASN 15 1.535 -15.341 -23.968 87 HD21 ASN 15 1HD2 ASN 15 -0.509 -13.098 -23.940 88 HD22 ASN 15 2HD2 ASN 15 0.384 -11.732 -23.372 89 H VAL 16 H VAL 16 0.329 -14.275 -27.355 90 HA VAL 16 HA VAL 16 1.708 -12.276 -28.968 91 HB VAL 16 HB VAL 16 -0.070 -12.414 -30.507 92 HG11 VAL 16 1HG1 VAL 16 1.198 -14.343 -30.795 93 HG12 VAL 16 2HG1 VAL 16 0.616 -15.067 -29.295 94 HG13 VAL 16 3HG1 VAL 16 -0.452 -14.956 -30.694 95 HG21 VAL 16 3HG2 VAL 16 -2.188 -13.617 -29.995 96 HG22 VAL 16 1HG2 VAL 16 -1.655 -13.751 -28.319 97 HG23 VAL 16 2HG2 VAL 16 -1.946 -12.163 -29.028 98 H LYS 17 H LYS 17 -0.122 -10.506 -29.697 99 HA LYS 17 HA LYS 17 -0.399 -8.851 -27.373 100 HB2 LYS 17 1HB LYS 17 -1.314 -8.453 -30.227 101 HB3 LYS 17 2HB LYS 17 -1.409 -7.225 -28.971 102 HG2 LYS 17 1HG LYS 17 0.559 -6.582 -29.842 103 HG3 LYS 17 2HG LYS 17 1.195 -7.853 -28.796 104 HD2 LYS 17 1HD LYS 17 0.630 -9.337 -30.937 105 HD3 LYS 17 2HD LYS 17 0.886 -7.789 -31.746 106 HE2 LYS 17 1HE LYS 17 2.855 -8.873 -29.756 107 HE3 LYS 17 2HE LYS 17 2.903 -9.349 -31.453 108 HZ1 LYS 17 3HZ LYS 17 2.734 -6.499 -31.002 109 HZ2 LYS 17 1HZ LYS 17 3.718 -7.372 -32.066 110 HZ3 LYS 17 2HZ LYS 17 4.163 -7.211 -30.442 111 H GLU 18 H GLU 18 -1.988 -9.101 -25.954 112 HA GLU 18 HA GLU 18 -4.280 -10.616 -26.266 113 HB2 GLU 18 1HB GLU 18 -3.938 -8.211 -24.466 114 HB3 GLU 18 2HB GLU 18 -5.139 -9.481 -24.275 115 HG2 GLU 18 1HG GLU 18 -2.159 -9.720 -23.979 116 HG3 GLU 18 2HG GLU 18 -3.385 -9.885 -22.724 117 H GLU 19 H GLU 19 -6.521 -10.002 -26.434 118 HA GLU 19 HA GLU 19 -7.036 -8.300 -28.623 119 HB2 GLU 19 1HB GLU 19 -9.418 -8.708 -28.120 120 HB3 GLU 19 2HB GLU 19 -8.475 -10.192 -28.139 121 HG2 GLU 19 1HG GLU 19 -8.419 -10.218 -25.716 122 HG3 GLU 19 2HG GLU 19 -9.301 -8.693 -25.664 123 H VAL 20 H VAL 20 -7.279 -7.851 -25.145 124 HA VAL 20 HA VAL 20 -7.645 -4.975 -25.602 125 HB VAL 20 HB VAL 20 -9.178 -6.550 -23.528 126 HG11 VAL 20 1HG1 VAL 20 -9.211 -4.569 -22.485 127 HG12 VAL 20 2HG1 VAL 20 -8.635 -3.704 -23.911 128 HG13 VAL 20 3HG1 VAL 20 -10.349 -4.087 -23.743 129 HG21 VAL 20 3HG2 VAL 20 -9.882 -6.796 -25.969 130 HG22 VAL 20 1HG2 VAL 20 -11.117 -6.271 -24.824 131 HG23 VAL 20 2HG2 VAL 20 -10.343 -5.095 -25.886 132 H THR 21 H THR 21 -6.087 -3.881 -24.625 133 HA THR 21 HA THR 21 -4.930 -4.977 -22.145 134 HB THR 21 HB THR 21 -3.379 -3.392 -24.195 135 HG1 THR 21 1HG THR 21 -2.407 -5.638 -24.455 136 HG21 THR 21 3HG2 THR 21 -2.587 -4.981 -21.756 137 HG22 THR 21 1HG2 THR 21 -2.414 -3.245 -22.005 138 HG23 THR 21 2HG2 THR 21 -1.440 -4.372 -22.948 139 H CYS 22 H CYS 22 -4.112 -3.430 -20.635 140 HA CYS 22 HA CYS 22 -5.716 -1.036 -20.535 141 HB2 CYS 22 1HB CYS 22 -5.322 -2.387 -18.513 142 HB3 CYS 22 2HB CYS 22 -3.598 -2.048 -18.626 143 HA PRO 23 HA PRO 23 -2.614 1.462 -22.520 144 HB2 PRO 23 1HB PRO 23 -3.929 3.821 -22.239 145 HB3 PRO 23 2HB PRO 23 -4.367 2.616 -23.455 146 HG2 PRO 23 1HG PRO 23 -5.611 3.151 -20.786 147 HG3 PRO 23 2HG PRO 23 -6.397 2.823 -22.341 148 HD2 PRO 23 1HD PRO 23 -6.099 0.928 -20.431 149 HD3 PRO 23 2HD PRO 23 -6.079 0.547 -22.165 150 H ILE 24 H ILE 24 -3.317 1.240 -19.301 151 HA ILE 24 HA ILE 24 -1.578 3.489 -18.551 152 HB ILE 24 HB ILE 24 -3.670 1.957 -17.046 153 HG12 ILE 24 1HG1 ILE 24 -3.240 4.899 -16.856 154 HG13 ILE 24 2HG1 ILE 24 -3.852 4.262 -18.378 155 HG21 ILE 24 1HG2 ILE 24 -1.425 3.571 -15.853 156 HG22 ILE 24 2HG2 ILE 24 -2.894 3.132 -14.984 157 HG23 ILE 24 3HG2 ILE 24 -1.801 1.874 -15.560 158 HD11 ILE 24 3HD1 ILE 24 -5.537 3.029 -16.758 159 HD12 ILE 24 1HD1 ILE 24 -5.143 4.399 -15.719 160 HD13 ILE 24 2HD1 ILE 24 -5.815 4.674 -17.327 161 H CYS 25 H CYS 25 -2.236 0.259 -17.191 162 HA CYS 25 HA CYS 25 0.523 0.018 -16.356 163 HB2 CYS 25 1HB CYS 25 -0.222 -2.140 -15.382 164 HB3 CYS 25 2HB CYS 25 -1.201 -0.778 -14.849 165 H LEU 26 H LEU 26 -1.196 -0.651 -19.150 166 HA LEU 26 HA LEU 26 -0.721 -1.785 -21.062 167 HB2 LEU 26 1HB LEU 26 2.030 -2.050 -19.858 168 HB3 LEU 26 2HB LEU 26 1.607 -2.282 -21.554 169 HG LEU 26 HG LEU 26 1.730 0.282 -19.991 170 HD11 LEU 26 1HD1 LEU 26 3.706 0.429 -20.981 171 HD12 LEU 26 2HD1 LEU 26 2.892 0.457 -22.544 172 HD13 LEU 26 3HD1 LEU 26 3.422 -1.077 -21.854 173 HD21 LEU 26 3HD2 LEU 26 0.283 -0.312 -22.551 174 HD22 LEU 26 1HD2 LEU 26 0.924 1.295 -22.203 175 HD23 LEU 26 2HD2 LEU 26 -0.283 0.578 -21.136 176 H GLU 27 H GLU 27 -1.693 -3.213 -18.702 177 HA GLU 27 HA GLU 27 -0.563 -5.886 -19.194 178 HB2 GLU 27 1HB GLU 27 -2.261 -5.011 -16.854 179 HB3 GLU 27 2HB GLU 27 -1.413 -6.541 -17.032 180 HG2 GLU 27 1HG GLU 27 0.141 -4.002 -17.099 181 HG3 GLU 27 2HG GLU 27 -0.429 -4.630 -15.553 182 H LEU 28 H LEU 28 -2.085 -7.696 -19.202 183 HA LEU 28 HA LEU 28 -4.119 -7.400 -21.064 184 HB2 LEU 28 1HB LEU 28 -3.253 -9.553 -20.766 185 HB3 LEU 28 2HB LEU 28 -3.524 -9.515 -19.025 186 HG LEU 28 HG LEU 28 -5.864 -9.863 -19.302 187 HD11 LEU 28 1HD1 LEU 28 -6.015 -8.390 -21.349 188 HD12 LEU 28 2HD1 LEU 28 -7.018 -9.840 -21.360 189 HD13 LEU 28 3HD1 LEU 28 -5.518 -9.798 -22.288 190 HD21 LEU 28 3HD2 LEU 28 -4.480 -11.674 -21.273 191 HD22 LEU 28 1HD2 LEU 28 -5.913 -12.031 -20.309 192 HD23 LEU 28 2HD2 LEU 28 -4.347 -11.832 -19.521 193 H LEU 29 H LEU 29 -5.899 -6.217 -20.860 194 HA LEU 29 HA LEU 29 -7.062 -5.561 -18.342 195 HB2 LEU 29 1HB LEU 29 -7.612 -4.982 -21.187 196 HB3 LEU 29 2HB LEU 29 -8.984 -4.872 -20.087 197 HG LEU 29 HG LEU 29 -6.409 -3.313 -19.877 198 HD11 LEU 29 1HD1 LEU 29 -7.740 -1.395 -20.475 199 HD12 LEU 29 2HD1 LEU 29 -9.195 -2.388 -20.562 200 HD13 LEU 29 3HD1 LEU 29 -7.893 -2.627 -21.727 201 HD21 LEU 29 3HD2 LEU 29 -8.268 -2.120 -18.252 202 HD22 LEU 29 1HD2 LEU 29 -6.957 -3.170 -17.715 203 HD23 LEU 29 2HD2 LEU 29 -8.567 -3.838 -17.984 204 H THR 30 H THR 30 -7.744 -7.376 -17.269 205 HA THR 30 HA THR 30 -9.339 -9.400 -18.522 206 HB THR 30 HB THR 30 -9.029 -8.948 -15.553 207 HG1 THR 30 1HG THR 30 -6.955 -9.136 -16.231 208 HG21 THR 30 3HG2 THR 30 -9.324 -11.405 -15.475 209 HG22 THR 30 1HG2 THR 30 -9.604 -11.403 -17.216 210 HG23 THR 30 2HG2 THR 30 -10.728 -10.572 -16.141 211 H GLN 31 H GLN 31 -10.097 -7.235 -15.785 212 HA GLN 31 HA GLN 31 -12.888 -7.197 -16.725 213 HB2 GLN 31 1HB GLN 31 -13.498 -6.751 -14.349 214 HB3 GLN 31 2HB GLN 31 -12.761 -8.327 -14.608 215 HG2 GLN 31 1HG GLN 31 -10.832 -7.763 -13.506 216 HG3 GLN 31 2HG GLN 31 -11.035 -6.038 -13.809 217 HE21 GLN 31 1HE2 GLN 31 -10.780 -7.987 -11.381 218 HE22 GLN 31 2HE2 GLN 31 -11.939 -7.347 -10.271 219 HA PRO 32 HA PRO 32 -11.071 -2.874 -16.880 220 HB2 PRO 32 1HB PRO 32 -11.667 -2.415 -19.489 221 HB3 PRO 32 2HB PRO 32 -10.153 -3.161 -18.967 222 HG2 PRO 32 1HG PRO 32 -12.636 -4.455 -20.025 223 HG3 PRO 32 2HG PRO 32 -10.940 -4.808 -20.408 224 HD2 PRO 32 1HD PRO 32 -12.388 -6.311 -18.683 225 HD3 PRO 32 2HD PRO 32 -10.640 -6.063 -18.498 226 H LEU 33 H LEU 33 -12.249 -0.874 -17.360 227 HA LEU 33 HA LEU 33 -15.131 -1.244 -16.959 228 HB2 LEU 33 1HB LEU 33 -13.476 1.243 -16.569 229 HB3 LEU 33 2HB LEU 33 -15.154 1.006 -16.088 230 HG LEU 33 HG LEU 33 -12.808 -0.489 -14.921 231 HD11 LEU 33 1HD1 LEU 33 -14.031 2.111 -14.271 232 HD12 LEU 33 2HD1 LEU 33 -12.409 1.502 -13.945 233 HD13 LEU 33 3HD1 LEU 33 -13.753 1.026 -12.908 234 HD21 LEU 33 3HD2 LEU 33 -15.371 -0.292 -13.493 235 HD22 LEU 33 1HD2 LEU 33 -14.265 -1.655 -13.665 236 HD23 LEU 33 2HD2 LEU 33 -15.397 -1.269 -14.962 237 H SER 34 H SER 34 -16.288 0.962 -17.785 238 HA SER 34 HA SER 34 -15.495 1.320 -20.599 239 HB2 SER 34 1HB SER 34 -17.436 -0.201 -20.441 240 HB3 SER 34 2HB SER 34 -18.326 1.039 -19.558 241 HG SER 34 HG SER 34 -18.216 2.354 -21.395 242 H LEU 35 H LEU 35 -16.138 3.320 -21.571 243 HA LEU 35 HA LEU 35 -16.973 5.428 -19.714 244 HB2 LEU 35 1HB LEU 35 -14.630 5.688 -21.590 245 HB3 LEU 35 2HB LEU 35 -15.237 6.922 -20.489 246 HG LEU 35 HG LEU 35 -14.026 4.304 -19.609 247 HD11 LEU 35 1HD1 LEU 35 -12.334 6.342 -18.852 248 HD12 LEU 35 2HD1 LEU 35 -12.798 6.782 -20.495 249 HD13 LEU 35 3HD1 LEU 35 -12.071 5.207 -20.176 250 HD21 LEU 35 3HD2 LEU 35 -15.701 5.722 -18.165 251 HD22 LEU 35 1HD2 LEU 35 -14.281 6.735 -17.907 252 HD23 LEU 35 2HD2 LEU 35 -14.244 5.032 -17.447 253 H ASP 36 H ASP 36 -17.067 7.592 -21.163 254 HA ASP 36 HA ASP 36 -18.827 6.886 -23.403 255 HB2 ASP 36 1HB ASP 36 -19.429 9.416 -23.146 256 HB3 ASP 36 2HB ASP 36 -20.059 8.249 -21.986 257 H CYS 37 H CYS 37 -15.963 6.816 -23.685 258 HA CYS 37 HA CYS 37 -15.650 8.913 -25.727 259 HB2 CYS 37 1HB CYS 37 -13.375 9.261 -25.142 260 HB3 CYS 37 2HB CYS 37 -14.275 9.308 -23.630 261 H GLY 38 H GLY 38 -14.903 5.651 -24.655 262 HA2 GLY 38 1HA GLY 38 -15.084 3.900 -26.367 263 HA3 GLY 38 2HA GLY 38 -14.225 4.983 -27.452 264 H HIS 39 H HIS 39 -13.494 4.237 -24.070 265 HA HIS 39 HA HIS 39 -11.233 2.590 -24.823 266 HB2 HIS 39 1HB HIS 39 -10.869 5.267 -23.467 267 HB3 HIS 39 2HB HIS 39 -9.626 4.022 -23.532 268 HD2 HIS 39 2HD HIS 39 -9.098 3.307 -26.431 269 HE1 HIS 39 1HE HIS 39 -9.709 7.358 -27.532 270 HE2 HIS 39 2HE HIS 39 -8.857 5.106 -28.273 271 H SER 40 H SER 40 -10.654 1.177 -23.243 272 HA SER 40 HA SER 40 -12.223 1.299 -20.763 273 HB2 SER 40 1HB SER 40 -10.710 -1.154 -21.528 274 HB3 SER 40 2HB SER 40 -12.278 -1.001 -20.736 275 HG SER 40 HG SER 40 -12.399 -1.758 -22.927 276 H PHE 41 H PHE 41 -11.146 0.395 -18.800 277 HA PHE 41 HA PHE 41 -8.275 0.483 -18.677 278 HB2 PHE 41 1HB PHE 41 -9.843 2.612 -17.208 279 HB3 PHE 41 2HB PHE 41 -8.103 2.358 -17.126 280 HD1 PHE 41 2HD PHE 41 -10.849 3.229 -19.465 281 HD2 PHE 41 1HD PHE 41 -6.681 3.424 -18.625 282 HE1 PHE 41 2HE PHE 41 -10.541 4.764 -21.363 283 HE2 PHE 41 1HE PHE 41 -6.367 4.960 -20.521 284 HZ PHE 41 HZ PHE 41 -8.298 5.631 -21.894 285 H CYS 42 H CYS 42 -7.591 0.399 -16.245 286 HA CYS 42 HA CYS 42 -9.044 -1.807 -15.092 287 HB2 CYS 42 1HB CYS 42 -6.547 -0.343 -14.222 288 HB3 CYS 42 2HB CYS 42 -7.219 -1.727 -13.365 289 H GLN 43 H GLN 43 -10.238 -1.828 -13.243 290 HA GLN 43 HA GLN 43 -11.664 0.400 -12.463 291 HB2 GLN 43 1HB GLN 43 -12.432 -1.819 -11.917 292 HB3 GLN 43 2HB GLN 43 -11.027 -2.104 -10.899 293 HG2 GLN 43 1HG GLN 43 -12.792 -1.668 -9.426 294 HG3 GLN 43 2HG GLN 43 -11.842 -0.184 -9.470 295 HE21 GLN 43 1HE2 GLN 43 -12.732 1.661 -10.277 296 HE22 GLN 43 2HE2 GLN 43 -14.391 1.799 -10.739 297 H ALA 44 H ALA 44 -8.462 -0.482 -11.626 298 HA ALA 44 HA ALA 44 -8.416 1.356 -9.344 299 HB1 ALA 44 3HB ALA 44 -6.665 0.190 -8.518 300 HB2 ALA 44 1HB ALA 44 -7.313 -1.080 -9.557 301 HB3 ALA 44 2HB ALA 44 -5.960 -0.092 -10.110 302 H CYS 45 H CYS 45 -6.469 0.671 -12.257 303 HA CYS 45 HA CYS 45 -4.781 2.811 -12.250 304 HB2 CYS 45 1HB CYS 45 -6.184 1.564 -14.621 305 HB3 CYS 45 2HB CYS 45 -4.825 2.676 -14.754 306 H LEU 46 H LEU 46 -8.180 2.789 -13.123 307 HA LEU 46 HA LEU 46 -8.264 5.395 -14.236 308 HB2 LEU 46 1HB LEU 46 -10.209 3.362 -13.365 309 HB3 LEU 46 2HB LEU 46 -10.786 5.027 -13.341 310 HG LEU 46 HG LEU 46 -9.482 3.964 -15.810 311 HD11 LEU 46 1HD1 LEU 46 -11.037 2.227 -15.378 312 HD12 LEU 46 2HD1 LEU 46 -11.778 3.288 -16.575 313 HD13 LEU 46 3HD1 LEU 46 -12.285 3.373 -14.888 314 HD21 LEU 46 3HD2 LEU 46 -11.678 5.492 -16.454 315 HD22 LEU 46 1HD2 LEU 46 -10.008 6.055 -16.384 316 HD23 LEU 46 2HD2 LEU 46 -11.068 6.264 -14.990 317 H THR 47 H THR 47 -9.103 4.145 -11.014 318 HA THR 47 HA THR 47 -9.935 6.506 -9.831 319 HB THR 47 HB THR 47 -8.415 4.230 -8.545 320 HG1 THR 47 1HG THR 47 -10.782 3.914 -7.840 321 HG21 THR 47 3HG2 THR 47 -8.912 5.076 -6.465 322 HG22 THR 47 1HG2 THR 47 -10.286 6.011 -7.053 323 HG23 THR 47 2HG2 THR 47 -8.643 6.572 -7.359 324 H ALA 48 H ALA 48 -6.651 5.223 -10.168 325 HA ALA 48 HA ALA 48 -5.404 7.319 -8.697 326 HB1 ALA 48 3HB ALA 48 -4.608 4.884 -9.893 327 HB2 ALA 48 1HB ALA 48 -3.581 6.158 -10.551 328 HB3 ALA 48 2HB ALA 48 -3.686 5.922 -8.805 329 H ASN 49 H ASN 49 -6.064 6.758 -12.118 330 HA ASN 49 HA ASN 49 -4.536 8.847 -13.183 331 HB2 ASN 49 1HB ASN 49 -5.354 7.280 -14.734 332 HB3 ASN 49 2HB ASN 49 -7.005 7.416 -14.136 333 HD21 ASN 49 1HD2 ASN 49 -4.478 9.505 -15.499 334 HD22 ASN 49 2HD2 ASN 49 -5.531 10.369 -16.561 335 H HIS 50 H HIS 50 -7.725 8.813 -11.731 336 HA HIS 50 HA HIS 50 -8.561 11.376 -12.564 337 HB2 HIS 50 1HB HIS 50 -9.334 9.819 -10.088 338 HB3 HIS 50 2HB HIS 50 -10.192 11.222 -10.718 339 HD2 HIS 50 2HD HIS 50 -10.724 10.495 -13.744 340 HE1 HIS 50 1HE HIS 50 -12.043 6.704 -12.370 341 HE2 HIS 50 2HE HIS 50 -11.976 8.305 -14.314 342 H LYS 51 H LYS 51 -7.384 10.364 -9.349 343 HA LYS 51 HA LYS 51 -7.150 12.790 -8.135 344 HB2 LYS 51 1HB LYS 51 -5.168 10.514 -7.944 345 HB3 LYS 51 2HB LYS 51 -5.328 11.825 -6.783 346 HG2 LYS 51 1HG LYS 51 -7.251 10.989 -5.890 347 HG3 LYS 51 2HG LYS 51 -7.737 10.199 -7.392 348 HD2 LYS 51 1HD LYS 51 -7.156 8.414 -6.019 349 HD3 LYS 51 2HD LYS 51 -5.697 8.669 -6.980 350 HE2 LYS 51 1HE LYS 51 -6.061 9.988 -4.310 351 HE3 LYS 51 2HE LYS 51 -5.451 8.339 -4.440 352 HZ1 LYS 51 3HZ LYS 51 -3.814 10.336 -4.398 353 HZ2 LYS 51 1HZ LYS 51 -4.199 10.460 -6.041 354 HZ3 LYS 51 2HZ LYS 51 -3.524 9.032 -5.436 355 H LYS 52 H LYS 52 -4.918 11.363 -10.461 356 HA LYS 52 HA LYS 52 -2.802 13.155 -10.239 357 HB2 LYS 52 1HB LYS 52 -2.386 11.280 -11.568 358 HB3 LYS 52 2HB LYS 52 -3.863 11.492 -12.500 359 HG2 LYS 52 1HG LYS 52 -2.107 12.063 -13.947 360 HG3 LYS 52 2HG LYS 52 -2.814 13.597 -13.433 361 HD2 LYS 52 1HD LYS 52 -0.536 12.476 -11.872 362 HD3 LYS 52 2HD LYS 52 -0.204 13.227 -13.435 363 HE2 LYS 52 1HE LYS 52 -1.533 15.217 -12.604 364 HE3 LYS 52 2HE LYS 52 -1.479 14.469 -11.009 365 HZ1 LYS 52 3HZ LYS 52 0.399 15.660 -10.828 366 HZ2 LYS 52 1HZ LYS 52 0.619 15.801 -12.499 367 HZ3 LYS 52 2HZ LYS 52 1.094 14.389 -11.700 368 H SER 53 H SER 53 -5.399 13.258 -12.688 369 HA SER 53 HA SER 53 -4.765 16.007 -13.314 370 HB2 SER 53 1HB SER 53 -5.406 14.519 -15.131 371 HB3 SER 53 2HB SER 53 -6.945 14.175 -14.342 372 HG SER 53 HG SER 53 -6.265 16.247 -15.938 373 H MET 54 H MET 54 -5.844 15.201 -10.631 374 HA MET 54 HA MET 54 -8.369 16.693 -10.607 375 HB2 MET 54 1HB MET 54 -8.330 14.472 -9.517 376 HB3 MET 54 2HB MET 54 -7.089 15.051 -8.415 377 HG2 MET 54 1HG MET 54 -8.547 16.263 -7.182 378 HG3 MET 54 2HG MET 54 -9.583 16.625 -8.560 379 HE1 MET 54 3HE MET 54 -11.894 13.745 -8.961 380 HE2 MET 54 1HE MET 54 -10.881 14.936 -9.778 381 HE3 MET 54 2HE MET 54 -10.295 13.288 -9.552 382 H LEU 55 H LEU 55 -5.111 17.193 -10.158 383 HA LEU 55 HA LEU 55 -5.575 19.400 -8.264 384 HB2 LEU 55 1HB LEU 55 -3.037 17.911 -8.914 385 HB3 LEU 55 2HB LEU 55 -3.138 19.303 -7.838 386 HG LEU 55 HG LEU 55 -4.883 17.746 -6.589 387 HD11 LEU 55 1HD1 LEU 55 -4.117 16.025 -8.563 388 HD12 LEU 55 2HD1 LEU 55 -4.805 15.552 -7.011 389 HD13 LEU 55 3HD1 LEU 55 -3.056 15.559 -7.234 390 HD21 LEU 55 3HD2 LEU 55 -1.991 17.088 -6.215 391 HD22 LEU 55 1HD2 LEU 55 -3.245 17.361 -5.005 392 HD23 LEU 55 2HD2 LEU 55 -2.576 18.723 -5.904 393 H ASP 56 H ASP 56 -4.904 18.647 -11.480 394 HA ASP 56 HA ASP 56 -3.683 21.272 -11.984 395 HB2 ASP 56 1HB ASP 56 -2.724 18.992 -12.865 396 HB3 ASP 56 2HB ASP 56 -3.972 19.168 -14.096 397 H LYS 57 H LYS 57 -6.062 19.100 -13.522 398 HA LYS 57 HA LYS 57 -7.641 21.489 -14.216 399 HB2 LYS 57 1HB LYS 57 -7.394 18.967 -15.866 400 HB3 LYS 57 2HB LYS 57 -8.313 20.407 -16.288 401 HG2 LYS 57 1HG LYS 57 -6.407 21.646 -16.743 402 HG3 LYS 57 2HG LYS 57 -5.366 20.573 -15.806 403 HD2 LYS 57 1HD LYS 57 -6.098 18.798 -17.585 404 HD3 LYS 57 2HD LYS 57 -6.474 20.222 -18.558 405 HE2 LYS 57 1HE LYS 57 -4.205 21.007 -18.371 406 HE3 LYS 57 2HE LYS 57 -3.807 19.708 -17.248 407 HZ1 LYS 57 3HZ LYS 57 -3.920 19.671 -20.115 408 HZ2 LYS 57 1HZ LYS 57 -4.772 18.391 -19.411 409 HZ3 LYS 57 2HZ LYS 57 -3.135 18.616 -19.052 410 H GLY 58 H GLY 58 -8.051 20.163 -11.832 411 HA2 GLY 58 1HA GLY 58 -9.552 18.832 -10.647 412 HA3 GLY 58 2HA GLY 58 -10.682 19.841 -11.537 413 H GLU 59 H GLU 59 -11.874 18.974 -13.190 414 HA GLU 59 HA GLU 59 -12.478 16.269 -13.140 415 HB2 GLU 59 1HB GLU 59 -12.887 18.310 -15.326 416 HB3 GLU 59 2HB GLU 59 -13.568 16.690 -15.376 417 HG2 GLU 59 1HG GLU 59 -15.325 17.890 -14.539 418 HG3 GLU 59 2HG GLU 59 -14.554 17.331 -13.055 419 H SER 60 H SER 60 -11.245 14.597 -13.657 420 HA SER 60 HA SER 60 -8.868 14.756 -15.144 421 HB2 SER 60 1HB SER 60 -9.319 12.973 -13.500 422 HB3 SER 60 2HB SER 60 -10.562 12.313 -14.563 423 HG SER 60 HG SER 60 -7.849 12.630 -15.323 424 H SER 61 H SER 61 -8.467 13.297 -17.103 425 HA SER 61 HA SER 61 -10.705 13.228 -18.972 426 HB2 SER 61 1HB SER 61 -8.271 14.953 -19.270 427 HB3 SER 61 2HB SER 61 -9.041 14.279 -20.706 428 HG SER 61 HG SER 61 -10.330 15.925 -20.519 429 H CYS 62 H CYS 62 -10.575 11.598 -20.435 430 HA CYS 62 HA CYS 62 -9.229 9.320 -20.051 431 HB2 CYS 62 1HB CYS 62 -10.940 9.783 -21.850 432 HB3 CYS 62 2HB CYS 62 -9.628 10.422 -22.835 433 HA PRO 63 HA PRO 63 -4.941 10.468 -20.501 434 HB2 PRO 63 1HB PRO 63 -3.947 8.011 -19.916 435 HB3 PRO 63 2HB PRO 63 -4.547 9.123 -18.681 436 HG2 PRO 63 1HG PRO 63 -5.917 6.783 -19.948 437 HG3 PRO 63 2HG PRO 63 -5.886 7.273 -18.244 438 HD2 PRO 63 1HD PRO 63 -7.985 7.797 -19.872 439 HD3 PRO 63 2HD PRO 63 -7.513 8.878 -18.545 440 H VAL 64 H VAL 64 -6.849 8.755 -22.550 441 HA VAL 64 HA VAL 64 -4.610 7.940 -24.280 442 HB VAL 64 HB VAL 64 -7.490 7.029 -24.309 443 HG11 VAL 64 1HG1 VAL 64 -5.795 7.197 -26.475 444 HG12 VAL 64 2HG1 VAL 64 -5.600 5.529 -25.934 445 HG13 VAL 64 3HG1 VAL 64 -7.203 6.145 -26.338 446 HG21 VAL 64 3HG2 VAL 64 -5.572 6.207 -22.616 447 HG22 VAL 64 1HG2 VAL 64 -6.850 5.152 -23.222 448 HG23 VAL 64 2HG2 VAL 64 -5.255 5.128 -23.974 449 H CYS 65 H CYS 65 -7.899 9.307 -24.490 450 HA CYS 65 HA CYS 65 -7.065 10.729 -26.928 451 HB2 CYS 65 1HB CYS 65 -9.455 10.903 -27.461 452 HB3 CYS 65 2HB CYS 65 -8.974 9.224 -27.239 453 H ARG 66 H ARG 66 -6.729 11.453 -23.991 454 HA ARG 66 HA ARG 66 -7.246 13.201 -22.544 455 HB2 ARG 66 1HB ARG 66 -5.452 13.809 -24.431 456 HB3 ARG 66 2HB ARG 66 -6.664 15.020 -24.822 457 HG2 ARG 66 1HG ARG 66 -5.121 16.040 -23.352 458 HG3 ARG 66 2HG ARG 66 -6.586 15.731 -22.416 459 HD2 ARG 66 1HD ARG 66 -5.008 14.958 -20.953 460 HD3 ARG 66 2HD ARG 66 -5.345 13.479 -21.851 461 HE ARG 66 HE ARG 66 -3.168 13.500 -22.500 462 HH11 ARG 66 1HH1 ARG 66 -4.138 16.779 -21.844 463 HH12 ARG 66 2HH1 ARG 66 -2.573 17.445 -22.174 464 HH21 ARG 66 1HH2 ARG 66 -1.104 14.366 -22.938 465 HH22 ARG 66 2HH2 ARG 66 -0.848 16.072 -22.797 466 H ILE 67 H ILE 67 -9.666 12.383 -23.264 467 HA ILE 67 HA ILE 67 -11.124 14.706 -24.302 468 HB ILE 67 HB ILE 67 -11.556 12.409 -25.251 469 HG12 ILE 67 1HG1 ILE 67 -14.012 13.603 -23.972 470 HG13 ILE 67 2HG1 ILE 67 -13.153 14.408 -25.280 471 HG21 ILE 67 1HG2 ILE 67 -11.458 11.042 -23.315 472 HG22 ILE 67 2HG2 ILE 67 -12.697 11.994 -22.499 473 HG23 ILE 67 3HG2 ILE 67 -13.126 10.993 -23.887 474 HD11 ILE 67 3HD1 ILE 67 -14.212 13.177 -26.775 475 HD12 ILE 67 1HD1 ILE 67 -13.656 11.692 -26.003 476 HD13 ILE 67 2HD1 ILE 67 -15.154 12.457 -25.469 477 H SER 68 H SER 68 -13.098 15.378 -23.212 478 HA SER 68 HA SER 68 -12.707 15.467 -20.338 479 HB2 SER 68 1HB SER 68 -14.287 17.019 -22.326 480 HB3 SER 68 2HB SER 68 -14.897 16.967 -20.673 481 HG SER 68 HG SER 68 -12.237 17.424 -20.701 482 H TYR 69 H TYR 69 -14.054 14.625 -18.812 483 HA TYR 69 HA TYR 69 -16.653 13.656 -19.277 484 HB2 TYR 69 1HB TYR 69 -16.379 11.315 -19.406 485 HB3 TYR 69 2HB TYR 69 -15.230 11.969 -20.569 486 HD1 TYR 69 2HD TYR 69 -12.813 12.438 -19.522 487 HD2 TYR 69 1HD TYR 69 -15.639 9.643 -18.004 488 HE1 TYR 69 2HE TYR 69 -10.992 11.203 -18.423 489 HE2 TYR 69 1HE TYR 69 -13.826 8.400 -16.900 490 HH TYR 69 HH TYR 69 -11.565 8.765 -16.101 491 H GLN 70 H GLN 70 -17.675 13.171 -17.380 492 HA GLN 70 HA GLN 70 -16.163 13.672 -14.953 493 HB2 GLN 70 1HB GLN 70 -19.122 13.292 -15.431 494 HB3 GLN 70 2HB GLN 70 -18.407 13.657 -13.867 495 HG2 GLN 70 1HG GLN 70 -17.405 15.711 -15.055 496 HG3 GLN 70 2HG GLN 70 -18.621 15.392 -16.290 497 HE21 GLN 70 1HE2 GLN 70 -19.464 17.482 -15.726 498 HE22 GLN 70 2HE2 GLN 70 -20.508 17.647 -14.359 499 HA PRO 71 HA PRO 71 -15.701 9.326 -14.150 500 HB2 PRO 71 1HB PRO 71 -14.592 9.598 -11.687 501 HB3 PRO 71 2HB PRO 71 -13.693 9.881 -13.183 502 HG2 PRO 71 1HG PRO 71 -14.978 11.861 -11.341 503 HG3 PRO 71 2HG PRO 71 -13.394 11.935 -12.134 504 HD2 PRO 71 1HD PRO 71 -15.554 13.276 -13.065 505 HD3 PRO 71 2HD PRO 71 -14.290 12.639 -14.137 506 H GLU 72 H GLU 72 -17.902 11.418 -12.830 507 HA GLU 72 HA GLU 72 -18.772 9.851 -10.588 508 HB2 GLU 72 1HB GLU 72 -19.147 12.254 -10.606 509 HB3 GLU 72 2HB GLU 72 -20.106 12.120 -12.073 510 HG2 GLU 72 1HG GLU 72 -21.343 12.379 -9.863 511 HG3 GLU 72 2HG GLU 72 -21.889 11.117 -10.965 512 H ASN 73 H ASN 73 -20.457 10.716 -13.613 513 HA ASN 73 HA ASN 73 -22.168 8.392 -13.345 514 HB2 ASN 73 1HB ASN 73 -22.072 10.709 -15.268 515 HB3 ASN 73 2HB ASN 73 -23.122 9.323 -15.548 516 HD21 ASN 73 1HD2 ASN 73 -23.054 12.341 -14.351 517 HD22 ASN 73 2HD2 ASN 73 -24.354 12.250 -13.217 518 H ILE 74 H ILE 74 -20.780 6.649 -13.664 519 HA ILE 74 HA ILE 74 -20.200 6.080 -16.450 520 HB ILE 74 HB ILE 74 -18.031 6.133 -14.353 521 HG12 ILE 74 1HG1 ILE 74 -18.321 7.502 -17.036 522 HG13 ILE 74 2HG1 ILE 74 -18.437 8.274 -15.458 523 HG21 ILE 74 1HG2 ILE 74 -17.924 4.054 -15.651 524 HG22 ILE 74 2HG2 ILE 74 -17.904 4.995 -17.142 525 HG23 ILE 74 3HG2 ILE 74 -16.563 5.119 -16.003 526 HD11 ILE 74 3HD1 ILE 74 -16.299 8.807 -16.023 527 HD12 ILE 74 1HD1 ILE 74 -16.019 7.289 -15.171 528 HD13 ILE 74 2HD1 ILE 74 -16.049 7.319 -16.935 529 H ARG 75 H ARG 75 -20.086 3.889 -16.915 530 HA ARG 75 HA ARG 75 -20.206 1.973 -14.725 531 HB2 ARG 75 1HB ARG 75 -22.265 0.968 -15.417 532 HB3 ARG 75 2HB ARG 75 -22.559 2.688 -15.203 533 HG2 ARG 75 1HG ARG 75 -22.033 2.757 -17.781 534 HG3 ARG 75 2HG ARG 75 -22.517 1.062 -17.688 535 HD2 ARG 75 1HD ARG 75 -24.574 1.949 -16.414 536 HD3 ARG 75 2HD ARG 75 -24.121 3.520 -17.073 537 HE ARG 75 HE ARG 75 -25.224 1.271 -18.521 538 HH11 ARG 75 1HH1 ARG 75 -23.564 4.325 -18.701 539 HH12 ARG 75 2HH1 ARG 75 -24.016 4.622 -20.347 540 HH21 ARG 75 1HH2 ARG 75 -25.827 1.650 -20.688 541 HH22 ARG 75 2HH2 ARG 75 -25.304 3.100 -21.476 542 HA PRO 76 HA PRO 76 -17.821 -0.436 -17.528 543 HB2 PRO 76 1HB PRO 76 -18.269 -2.906 -16.493 544 HB3 PRO 76 2HB PRO 76 -17.234 -1.708 -15.706 545 HG2 PRO 76 1HG PRO 76 -20.081 -2.425 -15.124 546 HG3 PRO 76 2HG PRO 76 -18.750 -2.121 -13.992 547 HD2 PRO 76 1HD PRO 76 -20.637 -0.262 -14.555 548 HD3 PRO 76 2HD PRO 76 -18.959 0.168 -14.165 549 H ASN 77 H ASN 77 -17.984 -2.097 -19.156 550 HA ASN 77 HA ASN 77 -20.007 -1.965 -20.906 551 HB2 ASN 77 1HB ASN 77 -18.743 -4.643 -20.345 552 HB3 ASN 77 2HB ASN 77 -19.261 -3.983 -21.893 553 HD21 ASN 77 1HD2 ASN 77 -16.853 -3.810 -19.368 554 HD22 ASN 77 2HD2 ASN 77 -15.635 -3.035 -20.317 555 H ARG 78 H ARG 78 -19.852 -4.454 -18.358 556 HA ARG 78 HA ARG 78 -22.749 -4.853 -18.691 557 HB2 ARG 78 1HB ARG 78 -20.649 -6.701 -17.545 558 HB3 ARG 78 2HB ARG 78 -22.374 -7.043 -17.568 559 HG2 ARG 78 1HG ARG 78 -20.806 -6.494 -20.069 560 HG3 ARG 78 2HG ARG 78 -20.980 -8.111 -19.383 561 HD2 ARG 78 1HD ARG 78 -23.442 -7.842 -19.507 562 HD3 ARG 78 2HD ARG 78 -23.199 -6.291 -20.309 563 HE ARG 78 HE ARG 78 -22.649 -7.405 -22.245 564 HH11 ARG 78 1HH1 ARG 78 -22.739 -9.647 -19.583 565 HH12 ARG 78 2HH1 ARG 78 -22.626 -11.051 -20.592 566 HH21 ARG 78 1HH2 ARG 78 -22.499 -9.245 -23.584 567 HH22 ARG 78 2HH2 ARG 78 -22.489 -10.821 -22.867 568 H HIS 79 H HIS 79 -24.110 -4.724 -16.947 569 HA HIS 79 HA HIS 79 -22.904 -3.863 -14.399 570 HB2 HIS 79 1HB HIS 79 -24.028 -2.016 -15.690 571 HB3 HIS 79 2HB HIS 79 -25.545 -2.890 -15.500 572 HD2 HIS 79 2HD HIS 79 -22.847 -1.919 -12.756 573 HE1 HIS 79 1HE HIS 79 -26.701 -0.666 -11.502 574 HE2 HIS 79 2HE HIS 79 -24.248 -0.727 -10.937 575 H VAL 80 H VAL 80 -23.014 -5.977 -13.570 576 HA VAL 80 HA VAL 80 -25.749 -6.870 -12.929 577 HB VAL 80 HB VAL 80 -24.947 -9.195 -12.945 578 HG11 VAL 80 1HG1 VAL 80 -24.268 -9.027 -15.572 579 HG12 VAL 80 2HG1 VAL 80 -25.921 -8.965 -14.956 580 HG13 VAL 80 3HG1 VAL 80 -25.055 -7.470 -15.316 581 HG21 VAL 80 3HG2 VAL 80 -22.681 -9.364 -14.353 582 HG22 VAL 80 1HG2 VAL 80 -22.369 -7.852 -13.499 583 HG23 VAL 80 2HG2 VAL 80 -22.709 -9.325 -12.590 584 H ALA 81 H ALA 81 -25.782 -8.344 -10.982 585 HA ALA 81 HA ALA 81 -23.730 -7.582 -9.016 586 HB1 ALA 81 3HB ALA 81 -25.973 -6.294 -8.889 587 HB2 ALA 81 1HB ALA 81 -26.603 -7.794 -8.208 588 HB3 ALA 81 2HB ALA 81 -25.275 -6.952 -7.409 589 H ASN 82 H ASN 82 -23.747 -9.984 -10.429 590 HA ASN 82 HA ASN 82 -24.828 -11.964 -8.560 591 HB2 ASN 82 1HB ASN 82 -23.987 -13.562 -10.435 592 HB3 ASN 82 2HB ASN 82 -25.437 -12.603 -10.717 593 HD21 ASN 82 1HD2 ASN 82 -21.919 -12.234 -11.029 594 HD22 ASN 82 2HD2 ASN 82 -21.965 -11.511 -12.598 595 H ILE 83 H ILE 83 -23.565 -13.114 -7.234 596 HA ILE 83 HA ILE 83 -20.686 -12.610 -7.310 597 HB ILE 83 HB ILE 83 -22.367 -13.912 -5.165 598 HG12 ILE 83 1HG1 ILE 83 -20.992 -11.266 -4.891 599 HG13 ILE 83 2HG1 ILE 83 -22.534 -11.349 -5.736 600 HG21 ILE 83 1HG2 ILE 83 -19.756 -12.891 -4.399 601 HG22 ILE 83 2HG2 ILE 83 -20.505 -14.451 -4.062 602 HG23 ILE 83 3HG2 ILE 83 -19.659 -14.190 -5.587 603 HD11 ILE 83 3HD1 ILE 83 -21.926 -11.936 -2.869 604 HD12 ILE 83 1HD1 ILE 83 -23.112 -10.824 -3.553 605 HD13 ILE 83 2HD1 ILE 83 -23.380 -12.565 -3.644 606 H VAL 84 H VAL 84 -19.266 -14.086 -7.966 607 HA VAL 84 HA VAL 84 -20.223 -16.835 -8.405 608 HB VAL 84 HB VAL 84 -18.422 -17.066 -10.048 609 HG11 VAL 84 1HG1 VAL 84 -19.554 -14.586 -11.068 610 HG12 VAL 84 2HG1 VAL 84 -19.743 -16.241 -11.650 611 HG13 VAL 84 3HG1 VAL 84 -20.763 -15.643 -10.340 612 HG21 VAL 84 3HG2 VAL 84 -16.640 -15.743 -9.883 613 HG22 VAL 84 1HG2 VAL 84 -17.623 -14.439 -10.548 614 HG23 VAL 84 2HG2 VAL 84 -17.490 -14.640 -8.801 615 H GLU 85 H GLU 85 -19.389 -18.429 -7.228 616 HA GLU 85 HA GLU 85 -17.365 -17.873 -5.267 617 HB2 GLU 85 1HB GLU 85 -17.762 -20.102 -4.466 618 HB3 GLU 85 2HB GLU 85 -19.315 -19.373 -4.851 619 HG2 GLU 85 1HG GLU 85 -19.136 -20.554 -7.094 620 HG3 GLU 85 2HG GLU 85 -17.816 -21.474 -6.375 Start of MODEL 18 1 H1 GLY 1 H GLY 1 42.927 -10.595 -39.064 2 HA2 GLY 1 1HA GLY 1 42.080 -12.106 -41.350 3 HA3 GLY 1 2HA GLY 1 42.499 -13.135 -39.988 4 H SER 2 H SER 2 40.046 -13.493 -40.662 5 HA SER 2 HA SER 2 38.521 -12.410 -38.482 6 HB2 SER 2 1HB SER 2 38.096 -11.450 -41.274 7 HB3 SER 2 2HB SER 2 36.670 -11.741 -40.278 8 HG SER 2 HG SER 2 37.119 -9.764 -39.651 9 H SER 3 H SER 3 36.639 -13.586 -38.053 10 HA SER 3 HA SER 3 35.535 -15.514 -39.799 11 HB2 SER 3 1HB SER 3 37.619 -16.721 -39.405 12 HB3 SER 3 2HB SER 3 37.396 -16.583 -37.662 13 HG SER 3 HG SER 3 35.211 -17.664 -38.425 14 H GLY 4 H GLY 4 33.487 -15.321 -39.185 15 HA2 GLY 4 1HA GLY 4 32.779 -14.691 -36.459 16 HA3 GLY 4 2HA GLY 4 31.670 -14.894 -37.807 17 H SER 5 H SER 5 33.546 -16.581 -35.358 18 HA SER 5 HA SER 5 33.111 -19.192 -35.757 19 HB2 SER 5 1HB SER 5 32.842 -19.464 -33.288 20 HB3 SER 5 2HB SER 5 34.181 -18.406 -33.731 21 HG SER 5 HG SER 5 32.518 -16.665 -33.453 22 H SER 6 H SER 6 30.682 -17.080 -34.222 23 HA SER 6 HA SER 6 28.572 -18.727 -35.391 24 HB2 SER 6 1HB SER 6 28.817 -19.739 -33.224 25 HB3 SER 6 2HB SER 6 28.855 -18.163 -32.433 26 HG SER 6 HG SER 6 26.693 -19.590 -33.472 27 H GLY 7 H GLY 7 26.872 -17.560 -36.081 28 HA2 GLY 7 1HA GLY 7 27.011 -14.758 -36.208 29 HA3 GLY 7 2HA GLY 7 25.594 -15.724 -36.593 30 H MET 8 H MET 8 23.870 -15.565 -35.304 31 HA MET 8 HA MET 8 24.242 -14.545 -32.576 32 HB2 MET 8 1HB MET 8 22.270 -13.511 -34.616 33 HB3 MET 8 2HB MET 8 22.186 -13.140 -32.899 34 HG2 MET 8 1HG MET 8 24.161 -11.889 -32.955 35 HG3 MET 8 2HG MET 8 24.638 -12.555 -34.515 36 HE1 MET 8 3HE MET 8 25.133 -9.981 -35.458 37 HE2 MET 8 1HE MET 8 24.575 -11.297 -36.492 38 HE3 MET 8 2HE MET 8 23.876 -9.686 -36.660 39 H ALA 9 H ALA 9 23.388 -15.932 -31.187 40 HA ALA 9 HA ALA 9 21.455 -17.902 -32.072 41 HB1 ALA 9 3HB ALA 9 22.712 -17.526 -29.357 42 HB2 ALA 9 1HB ALA 9 21.779 -18.923 -29.894 43 HB3 ALA 9 2HB ALA 9 23.336 -18.562 -30.640 44 H SER 10 H SER 10 20.425 -15.303 -32.149 45 HA SER 10 HA SER 10 18.723 -15.043 -29.789 46 HB2 SER 10 1HB SER 10 19.157 -13.250 -32.185 47 HB3 SER 10 2HB SER 10 17.982 -12.912 -30.914 48 HG SER 10 HG SER 10 19.569 -12.106 -29.818 49 H GLY 11 H GLY 11 17.084 -16.479 -29.866 50 HA2 GLY 11 1HA GLY 11 15.751 -17.117 -32.351 51 HA3 GLY 11 2HA GLY 11 15.362 -17.757 -30.761 52 H ILE 12 H ILE 12 15.289 -14.622 -32.464 53 HA ILE 12 HA ILE 12 12.937 -13.838 -30.955 54 HB ILE 12 HB ILE 12 13.113 -11.731 -32.344 55 HG12 ILE 12 1HG1 ILE 12 15.820 -12.830 -33.106 56 HG13 ILE 12 2HG1 ILE 12 14.426 -12.913 -34.178 57 HG21 ILE 12 1HG2 ILE 12 14.844 -10.820 -31.002 58 HG22 ILE 12 2HG2 ILE 12 14.071 -12.082 -30.043 59 HG23 ILE 12 3HG2 ILE 12 15.623 -12.392 -30.821 60 HD11 ILE 12 3HD1 ILE 12 15.575 -10.369 -33.058 61 HD12 ILE 12 1HD1 ILE 12 15.926 -11.020 -34.659 62 HD13 ILE 12 2HD1 ILE 12 14.285 -10.516 -34.252 63 H LEU 13 H LEU 13 10.890 -13.799 -31.691 64 HA LEU 13 HA LEU 13 10.428 -14.422 -34.530 65 HB2 LEU 13 1HB LEU 13 9.328 -15.720 -32.089 66 HB3 LEU 13 2HB LEU 13 8.289 -15.576 -33.505 67 HG LEU 13 HG LEU 13 9.249 -17.736 -33.579 68 HD11 LEU 13 1HD1 LEU 13 11.178 -16.552 -35.440 69 HD12 LEU 13 2HD1 LEU 13 9.525 -15.963 -35.618 70 HD13 LEU 13 3HD1 LEU 13 9.863 -17.690 -35.733 71 HD21 LEU 13 3HD2 LEU 13 11.168 -16.970 -32.001 72 HD22 LEU 13 1HD2 LEU 13 12.040 -16.671 -33.505 73 HD23 LEU 13 2HD2 LEU 13 11.447 -18.291 -33.137 74 H VAL 14 H VAL 14 7.978 -14.052 -35.032 75 HA VAL 14 HA VAL 14 7.447 -11.290 -34.408 76 HB VAL 14 HB VAL 14 5.860 -13.252 -36.070 77 HG11 VAL 14 1HG1 VAL 14 4.871 -10.987 -34.999 78 HG12 VAL 14 2HG1 VAL 14 5.570 -10.349 -36.488 79 HG13 VAL 14 3HG1 VAL 14 4.364 -11.635 -36.559 80 HG21 VAL 14 3HG2 VAL 14 7.547 -12.991 -37.512 81 HG22 VAL 14 1HG2 VAL 14 6.941 -11.351 -37.743 82 HG23 VAL 14 2HG2 VAL 14 8.240 -11.657 -36.589 83 H ASN 15 H ASN 15 6.823 -11.097 -32.292 84 HA ASN 15 HA ASN 15 4.867 -12.828 -31.107 85 HB2 ASN 15 1HB ASN 15 6.767 -11.528 -29.930 86 HB3 ASN 15 2HB ASN 15 5.676 -10.148 -30.003 87 HD21 ASN 15 1HD2 ASN 15 5.044 -9.880 -27.970 88 HD22 ASN 15 2HD2 ASN 15 4.316 -11.097 -26.982 89 H VAL 16 H VAL 16 2.827 -12.049 -30.191 90 HA VAL 16 HA VAL 16 1.444 -10.331 -32.107 91 HB VAL 16 HB VAL 16 -0.608 -11.214 -31.256 92 HG11 VAL 16 1HG1 VAL 16 0.063 -12.802 -32.731 93 HG12 VAL 16 2HG1 VAL 16 1.583 -13.104 -31.886 94 HG13 VAL 16 3HG1 VAL 16 0.079 -13.791 -31.271 95 HG21 VAL 16 3HG2 VAL 16 0.517 -13.051 -29.278 96 HG22 VAL 16 1HG2 VAL 16 0.663 -11.349 -28.838 97 HG23 VAL 16 2HG2 VAL 16 -0.922 -12.036 -29.194 98 H LYS 17 H LYS 17 -0.438 -9.035 -31.038 99 HA LYS 17 HA LYS 17 0.641 -7.597 -28.702 100 HB2 LYS 17 1HB LYS 17 -0.659 -6.524 -31.198 101 HB3 LYS 17 2HB LYS 17 -0.581 -5.581 -29.715 102 HG2 LYS 17 1HG LYS 17 1.251 -4.864 -30.962 103 HG3 LYS 17 2HG LYS 17 1.936 -5.992 -29.789 104 HD2 LYS 17 1HD LYS 17 2.934 -6.520 -31.867 105 HD3 LYS 17 2HD LYS 17 1.724 -7.772 -31.577 106 HE2 LYS 17 1HE LYS 17 1.203 -7.274 -33.734 107 HE3 LYS 17 2HE LYS 17 0.200 -6.068 -32.929 108 HZ1 LYS 17 3HZ LYS 17 1.332 -4.907 -34.587 109 HZ2 LYS 17 1HZ LYS 17 2.803 -5.682 -34.276 110 HZ3 LYS 17 2HZ LYS 17 2.198 -4.546 -33.179 111 H GLU 18 H GLU 18 -0.630 -7.723 -26.982 112 HA GLU 18 HA GLU 18 -2.937 -9.029 -26.634 113 HB2 GLU 18 1HB GLU 18 -2.485 -6.340 -25.337 114 HB3 GLU 18 2HB GLU 18 -3.392 -7.700 -24.689 115 HG2 GLU 18 1HG GLU 18 -0.418 -7.520 -25.090 116 HG3 GLU 18 2HG GLU 18 -1.294 -7.574 -23.561 117 H GLU 19 H GLU 19 -5.019 -8.895 -27.202 118 HA GLU 19 HA GLU 19 -5.896 -7.147 -29.196 119 HB2 GLU 19 1HB GLU 19 -8.159 -8.005 -28.698 120 HB3 GLU 19 2HB GLU 19 -6.967 -9.290 -28.830 121 HG2 GLU 19 1HG GLU 19 -6.892 -9.566 -26.464 122 HG3 GLU 19 2HG GLU 19 -7.878 -8.127 -26.212 123 H VAL 20 H VAL 20 -6.358 -7.046 -25.688 124 HA VAL 20 HA VAL 20 -7.233 -4.247 -25.969 125 HB VAL 20 HB VAL 20 -8.263 -6.212 -23.918 126 HG11 VAL 20 1HG1 VAL 20 -9.913 -3.967 -24.049 127 HG12 VAL 20 2HG1 VAL 20 -8.797 -4.395 -22.751 128 HG13 VAL 20 3HG1 VAL 20 -8.269 -3.332 -24.056 129 HG21 VAL 20 3HG2 VAL 20 -9.522 -6.892 -25.662 130 HG22 VAL 20 1HG2 VAL 20 -10.438 -5.426 -25.311 131 HG23 VAL 20 2HG2 VAL 20 -9.223 -5.421 -26.589 132 H THR 21 H THR 21 -5.673 -2.997 -25.189 133 HA THR 21 HA THR 21 -4.241 -3.882 -22.768 134 HB THR 21 HB THR 21 -3.183 -1.948 -24.833 135 HG1 THR 21 1HG THR 21 -1.991 -4.417 -24.681 136 HG21 THR 21 3HG2 THR 21 -1.831 -3.465 -22.598 137 HG22 THR 21 1HG2 THR 21 -2.199 -1.741 -22.600 138 HG23 THR 21 2HG2 THR 21 -1.031 -2.394 -23.748 139 H CYS 22 H CYS 22 -3.587 -2.213 -21.272 140 HA CYS 22 HA CYS 22 -5.640 -0.191 -20.975 141 HB2 CYS 22 1HB CYS 22 -4.932 -1.529 -19.033 142 HB3 CYS 22 2HB CYS 22 -3.300 -0.887 -19.187 143 HA PRO 23 HA PRO 23 -3.145 2.938 -22.909 144 HB2 PRO 23 1HB PRO 23 -4.817 5.011 -22.385 145 HB3 PRO 23 2HB PRO 23 -5.126 3.826 -23.659 146 HG2 PRO 23 1HG PRO 23 -6.260 3.973 -20.892 147 HG3 PRO 23 2HG PRO 23 -7.083 3.611 -22.421 148 HD2 PRO 23 1HD PRO 23 -6.342 1.680 -20.673 149 HD3 PRO 23 2HD PRO 23 -6.375 1.418 -22.429 150 H ILE 24 H ILE 24 -3.607 2.412 -19.674 151 HA ILE 24 HA ILE 24 -2.185 4.861 -18.875 152 HB ILE 24 HB ILE 24 -3.899 2.942 -17.320 153 HG12 ILE 24 1HG1 ILE 24 -4.045 5.926 -17.195 154 HG13 ILE 24 2HG1 ILE 24 -4.671 5.107 -18.622 155 HG21 ILE 24 1HG2 ILE 24 -2.079 5.060 -16.183 156 HG22 ILE 24 2HG2 ILE 24 -3.262 4.120 -15.276 157 HG23 ILE 24 3HG2 ILE 24 -1.875 3.317 -16.012 158 HD11 ILE 24 3HD1 ILE 24 -5.919 3.655 -16.816 159 HD12 ILE 24 1HD1 ILE 24 -5.672 5.097 -15.831 160 HD13 ILE 24 2HD1 ILE 24 -6.554 5.210 -17.354 161 H CYS 25 H CYS 25 -2.307 1.511 -17.659 162 HA CYS 25 HA CYS 25 0.490 1.631 -16.947 163 HB2 CYS 25 1HB CYS 25 0.118 -0.653 -16.071 164 HB3 CYS 25 2HB CYS 25 -1.054 0.502 -15.445 165 H LEU 26 H LEU 26 -1.183 0.947 -19.739 166 HA LEU 26 HA LEU 26 -0.655 -0.037 -21.720 167 HB2 LEU 26 1HB LEU 26 2.159 0.122 -20.651 168 HB3 LEU 26 2HB LEU 26 1.699 -0.107 -22.337 169 HG LEU 26 HG LEU 26 1.450 2.369 -20.652 170 HD11 LEU 26 1HD1 LEU 26 2.456 2.932 -23.180 171 HD12 LEU 26 2HD1 LEU 26 3.222 1.412 -22.720 172 HD13 LEU 26 3HD1 LEU 26 3.368 2.824 -21.674 173 HD21 LEU 26 3HD2 LEU 26 -0.628 2.375 -21.704 174 HD22 LEU 26 1HD2 LEU 26 0.005 1.631 -23.172 175 HD23 LEU 26 2HD2 LEU 26 0.392 3.311 -22.799 176 H GLU 27 H GLU 27 -1.379 -1.763 -19.574 177 HA GLU 27 HA GLU 27 0.199 -4.165 -20.228 178 HB2 GLU 27 1HB GLU 27 -1.471 -3.702 -17.752 179 HB3 GLU 27 2HB GLU 27 -0.433 -5.083 -18.077 180 HG2 GLU 27 1HG GLU 27 1.451 -3.315 -18.239 181 HG3 GLU 27 2HG GLU 27 0.317 -2.282 -17.369 182 H LEU 28 H LEU 28 -1.094 -6.225 -20.063 183 HA LEU 28 HA LEU 28 -3.227 -6.162 -21.882 184 HB2 LEU 28 1HB LEU 28 -2.011 -8.159 -21.745 185 HB3 LEU 28 2HB LEU 28 -2.191 -8.248 -19.994 186 HG LEU 28 HG LEU 28 -4.456 -8.955 -20.182 187 HD11 LEU 28 1HD1 LEU 28 -4.348 -8.784 -23.170 188 HD12 LEU 28 2HD1 LEU 28 -4.859 -7.406 -22.195 189 HD13 LEU 28 3HD1 LEU 28 -5.752 -8.924 -22.111 190 HD21 LEU 28 3HD2 LEU 28 -2.508 -10.560 -20.745 191 HD22 LEU 28 1HD2 LEU 28 -3.132 -10.478 -22.392 192 HD23 LEU 28 2HD2 LEU 28 -4.162 -11.069 -21.088 193 H LEU 29 H LEU 29 -4.998 -4.994 -21.370 194 HA LEU 29 HA LEU 29 -6.132 -4.656 -18.855 195 HB2 LEU 29 1HB LEU 29 -7.011 -4.287 -21.645 196 HB3 LEU 29 2HB LEU 29 -8.298 -4.432 -20.450 197 HG LEU 29 HG LEU 29 -6.078 -2.388 -20.386 198 HD11 LEU 29 1HD1 LEU 29 -8.983 -2.140 -21.152 199 HD12 LEU 29 2HD1 LEU 29 -7.590 -1.945 -22.216 200 HD13 LEU 29 3HD1 LEU 29 -7.875 -0.787 -20.917 201 HD21 LEU 29 3HD2 LEU 29 -7.785 -3.350 -18.348 202 HD22 LEU 29 1HD2 LEU 29 -8.343 -1.736 -18.787 203 HD23 LEU 29 2HD2 LEU 29 -6.670 -1.985 -18.288 204 H THR 30 H THR 30 -6.167 -6.664 -17.792 205 HA THR 30 HA THR 30 -7.470 -8.964 -18.782 206 HB THR 30 HB THR 30 -7.180 -8.321 -15.852 207 HG1 THR 30 1HG THR 30 -5.225 -8.451 -17.700 208 HG21 THR 30 3HG2 THR 30 -8.371 -10.352 -16.264 209 HG22 THR 30 1HG2 THR 30 -6.738 -10.794 -15.767 210 HG23 THR 30 2HG2 THR 30 -7.192 -10.867 -17.469 211 H GLN 31 H GLN 31 -8.540 -6.990 -16.013 212 HA GLN 31 HA GLN 31 -11.317 -7.520 -16.840 213 HB2 GLN 31 1HB GLN 31 -9.983 -7.415 -14.187 214 HB3 GLN 31 2HB GLN 31 -11.628 -6.800 -14.281 215 HG2 GLN 31 1HG GLN 31 -12.460 -8.893 -15.020 216 HG3 GLN 31 2HG GLN 31 -10.833 -9.523 -15.270 217 HE21 GLN 31 1HE2 GLN 31 -13.047 -10.523 -13.621 218 HE22 GLN 31 2HE2 GLN 31 -12.416 -10.651 -12.018 219 HA PRO 32 HA PRO 32 -10.477 -2.926 -17.191 220 HB2 PRO 32 1HB PRO 32 -11.367 -2.685 -19.744 221 HB3 PRO 32 2HB PRO 32 -9.693 -3.088 -19.345 222 HG2 PRO 32 1HG PRO 32 -11.933 -4.897 -20.163 223 HG3 PRO 32 2HG PRO 32 -10.239 -4.907 -20.686 224 HD2 PRO 32 1HD PRO 32 -11.198 -6.618 -18.818 225 HD3 PRO 32 2HD PRO 32 -9.530 -6.010 -18.791 226 H LEU 33 H LEU 33 -12.074 -1.228 -17.560 227 HA LEU 33 HA LEU 33 -14.799 -2.190 -17.021 228 HB2 LEU 33 1HB LEU 33 -13.649 0.546 -16.503 229 HB3 LEU 33 2HB LEU 33 -15.218 -0.060 -15.976 230 HG LEU 33 HG LEU 33 -12.556 -1.105 -15.016 231 HD11 LEU 33 1HD1 LEU 33 -14.332 1.066 -14.057 232 HD12 LEU 33 2HD1 LEU 33 -12.578 0.910 -13.966 233 HD13 LEU 33 3HD1 LEU 33 -13.602 0.009 -12.848 234 HD21 LEU 33 3HD2 LEU 33 -15.155 -1.557 -13.636 235 HD22 LEU 33 1HD2 LEU 33 -13.694 -2.545 -13.648 236 HD23 LEU 33 2HD2 LEU 33 -14.762 -2.536 -15.051 237 H SER 34 H SER 34 -16.458 -0.341 -17.683 238 HA SER 34 HA SER 34 -15.865 0.390 -20.476 239 HB2 SER 34 1HB SER 34 -17.455 -1.462 -20.421 240 HB3 SER 34 2HB SER 34 -18.497 -0.561 -19.320 241 HG SER 34 HG SER 34 -18.049 0.986 -21.410 242 H LEU 35 H LEU 35 -16.630 2.360 -21.224 243 HA LEU 35 HA LEU 35 -17.891 4.125 -19.239 244 HB2 LEU 35 1HB LEU 35 -15.698 4.993 -21.110 245 HB3 LEU 35 2HB LEU 35 -16.443 5.934 -19.819 246 HG LEU 35 HG LEU 35 -14.768 3.470 -19.353 247 HD11 LEU 35 1HD1 LEU 35 -13.353 5.634 -18.423 248 HD12 LEU 35 2HD1 LEU 35 -13.999 6.211 -19.958 249 HD13 LEU 35 3HD1 LEU 35 -13.024 4.742 -19.908 250 HD21 LEU 35 3HD2 LEU 35 -16.434 4.118 -17.607 251 HD22 LEU 35 1HD2 LEU 35 -15.589 5.658 -17.451 252 HD23 LEU 35 2HD2 LEU 35 -14.755 4.153 -17.064 253 H ASP 36 H ASP 36 -18.667 6.208 -20.343 254 HA ASP 36 HA ASP 36 -20.221 5.409 -22.671 255 HB2 ASP 36 1HB ASP 36 -21.062 6.684 -20.530 256 HB3 ASP 36 2HB ASP 36 -20.457 8.101 -21.384 257 H CYS 37 H CYS 37 -17.388 5.865 -23.000 258 HA CYS 37 HA CYS 37 -17.501 8.113 -24.900 259 HB2 CYS 37 1HB CYS 37 -15.266 8.751 -24.365 260 HB3 CYS 37 2HB CYS 37 -16.124 8.591 -22.836 261 H GLY 38 H GLY 38 -16.051 4.995 -24.079 262 HA2 GLY 38 1HA GLY 38 -16.053 3.332 -25.903 263 HA3 GLY 38 2HA GLY 38 -15.483 4.618 -26.956 264 H HIS 39 H HIS 39 -14.356 4.018 -23.675 265 HA HIS 39 HA HIS 39 -11.894 2.814 -24.663 266 HB2 HIS 39 1HB HIS 39 -11.934 5.398 -23.091 267 HB3 HIS 39 2HB HIS 39 -10.490 4.448 -23.427 268 HD2 HIS 39 2HD HIS 39 -10.187 4.138 -26.426 269 HE1 HIS 39 1HE HIS 39 -11.708 8.060 -26.978 270 HE2 HIS 39 2HE HIS 39 -10.528 6.116 -28.059 271 H SER 40 H SER 40 -11.209 1.265 -23.330 272 HA SER 40 HA SER 40 -12.525 0.989 -20.740 273 HB2 SER 40 1HB SER 40 -10.609 -1.059 -21.759 274 HB3 SER 40 2HB SER 40 -12.126 -1.274 -20.886 275 HG SER 40 HG SER 40 -12.611 -1.867 -22.917 276 H PHE 41 H PHE 41 -11.218 0.234 -18.879 277 HA PHE 41 HA PHE 41 -8.405 0.838 -18.858 278 HB2 PHE 41 1HB PHE 41 -10.279 2.567 -17.228 279 HB3 PHE 41 2HB PHE 41 -8.520 2.621 -17.185 280 HD1 PHE 41 2HD PHE 41 -11.463 3.213 -19.345 281 HD2 PHE 41 1HD PHE 41 -7.308 3.904 -18.729 282 HE1 PHE 41 2HE PHE 41 -11.475 4.877 -21.157 283 HE2 PHE 41 1HE PHE 41 -7.314 5.570 -20.540 284 HZ PHE 41 HZ PHE 41 -9.399 6.058 -21.757 285 H CYS 42 H CYS 42 -7.587 0.732 -16.481 286 HA CYS 42 HA CYS 42 -8.597 -1.744 -15.394 287 HB2 CYS 42 1HB CYS 42 -6.306 0.045 -14.560 288 HB3 CYS 42 2HB CYS 42 -6.692 -1.489 -13.787 289 H GLN 43 H GLN 43 -9.801 -2.017 -13.606 290 HA GLN 43 HA GLN 43 -11.421 -0.068 -12.571 291 HB2 GLN 43 1HB GLN 43 -11.862 -2.406 -12.169 292 HB3 GLN 43 2HB GLN 43 -10.391 -2.564 -11.219 293 HG2 GLN 43 1HG GLN 43 -11.295 -1.564 -9.385 294 HG3 GLN 43 2HG GLN 43 -12.408 -0.580 -10.334 295 HE21 GLN 43 1HE2 GLN 43 -11.907 -4.066 -10.467 296 HE22 GLN 43 2HE2 GLN 43 -13.506 -4.497 -9.977 297 H ALA 44 H ALA 44 -8.094 -0.533 -11.962 298 HA ALA 44 HA ALA 44 -8.172 1.102 -9.529 299 HB1 ALA 44 3HB ALA 44 -6.818 -1.099 -9.796 300 HB2 ALA 44 1HB ALA 44 -5.665 -0.075 -10.651 301 HB3 ALA 44 2HB ALA 44 -6.086 0.279 -8.975 302 H CYS 45 H CYS 45 -6.305 0.933 -12.568 303 HA CYS 45 HA CYS 45 -4.946 3.292 -12.456 304 HB2 CYS 45 1HB CYS 45 -6.272 2.012 -14.851 305 HB3 CYS 45 2HB CYS 45 -5.129 3.345 -14.966 306 H LEU 46 H LEU 46 -8.329 2.838 -13.352 307 HA LEU 46 HA LEU 46 -8.877 5.439 -14.228 308 HB2 LEU 46 1HB LEU 46 -10.446 3.136 -13.266 309 HB3 LEU 46 2HB LEU 46 -11.237 4.706 -13.146 310 HG LEU 46 HG LEU 46 -10.029 3.793 -15.733 311 HD11 LEU 46 1HD1 LEU 46 -12.536 3.153 -16.187 312 HD12 LEU 46 2HD1 LEU 46 -12.548 2.866 -14.447 313 HD13 LEU 46 3HD1 LEU 46 -11.415 1.991 -15.477 314 HD21 LEU 46 3HD2 LEU 46 -12.113 5.199 -16.458 315 HD22 LEU 46 1HD2 LEU 46 -10.630 6.002 -15.939 316 HD23 LEU 46 2HD2 LEU 46 -11.988 5.851 -14.823 317 H THR 47 H THR 47 -9.295 3.996 -11.000 318 HA THR 47 HA THR 47 -10.250 6.291 -9.713 319 HB THR 47 HB THR 47 -8.663 3.987 -8.567 320 HG1 THR 47 1HG THR 47 -10.961 3.561 -7.806 321 HG21 THR 47 3HG2 THR 47 -9.228 4.699 -6.413 322 HG22 THR 47 1HG2 THR 47 -10.459 5.815 -7.002 323 HG23 THR 47 2HG2 THR 47 -8.750 6.188 -7.228 324 H ALA 48 H ALA 48 -6.940 5.081 -10.111 325 HA ALA 48 HA ALA 48 -5.665 7.057 -8.565 326 HB1 ALA 48 3HB ALA 48 -4.218 5.940 -10.894 327 HB2 ALA 48 1HB ALA 48 -3.717 6.090 -9.209 328 HB3 ALA 48 2HB ALA 48 -4.816 4.796 -9.692 329 H ASN 49 H ASN 49 -6.276 6.859 -12.063 330 HA ASN 49 HA ASN 49 -4.994 9.196 -12.843 331 HB2 ASN 49 1HB ASN 49 -5.780 7.649 -14.505 332 HB3 ASN 49 2HB ASN 49 -7.449 7.844 -13.975 333 HD21 ASN 49 1HD2 ASN 49 -8.519 8.830 -15.525 334 HD22 ASN 49 2HD2 ASN 49 -7.998 10.235 -16.385 335 H HIS 50 H HIS 50 -8.309 8.726 -11.686 336 HA HIS 50 HA HIS 50 -9.406 11.195 -12.105 337 HB2 HIS 50 1HB HIS 50 -9.704 9.294 -9.786 338 HB3 HIS 50 2HB HIS 50 -10.643 10.781 -9.893 339 HD2 HIS 50 2HD HIS 50 -12.929 9.057 -10.139 340 HE1 HIS 50 1HE HIS 50 -12.026 7.972 -14.139 341 HE2 HIS 50 2HE HIS 50 -13.795 8.028 -12.348 342 H LYS 51 H LYS 51 -7.308 10.235 -9.411 343 HA LYS 51 HA LYS 51 -7.365 12.780 -8.136 344 HB2 LYS 51 1HB LYS 51 -5.541 10.393 -7.886 345 HB3 LYS 51 2HB LYS 51 -5.306 11.857 -6.940 346 HG2 LYS 51 1HG LYS 51 -6.547 10.669 -5.463 347 HG3 LYS 51 2HG LYS 51 -7.856 11.445 -6.356 348 HD2 LYS 51 1HD LYS 51 -8.279 9.492 -7.621 349 HD3 LYS 51 2HD LYS 51 -6.767 8.742 -7.104 350 HE2 LYS 51 1HE LYS 51 -8.458 7.680 -5.856 351 HE3 LYS 51 2HE LYS 51 -7.700 8.823 -4.747 352 HZ1 LYS 51 3HZ LYS 51 -9.769 10.174 -6.011 353 HZ2 LYS 51 1HZ LYS 51 -9.693 9.683 -4.393 354 HZ3 LYS 51 2HZ LYS 51 -10.398 8.672 -5.551 355 H LYS 52 H LYS 52 -5.258 11.260 -10.506 356 HA LYS 52 HA LYS 52 -3.107 13.011 -10.466 357 HB2 LYS 52 1HB LYS 52 -3.096 10.953 -11.770 358 HB3 LYS 52 2HB LYS 52 -4.346 11.591 -12.831 359 HG2 LYS 52 1HG LYS 52 -1.825 13.135 -12.564 360 HG3 LYS 52 2HG LYS 52 -1.793 11.636 -13.494 361 HD2 LYS 52 1HD LYS 52 -3.332 12.435 -15.058 362 HD3 LYS 52 2HD LYS 52 -3.902 13.713 -13.982 363 HE2 LYS 52 1HE LYS 52 -1.751 14.857 -14.207 364 HE3 LYS 52 2HE LYS 52 -1.178 13.576 -15.275 365 HZ1 LYS 52 3HZ LYS 52 -3.098 14.161 -16.753 366 HZ2 LYS 52 1HZ LYS 52 -1.891 15.342 -16.643 367 HZ3 LYS 52 2HZ LYS 52 -3.342 15.533 -15.794 368 H SER 53 H SER 53 -6.165 13.265 -12.243 369 HA SER 53 HA SER 53 -5.436 15.814 -13.387 370 HB2 SER 53 1HB SER 53 -8.112 14.397 -13.390 371 HB3 SER 53 2HB SER 53 -7.658 15.768 -14.401 372 HG SER 53 HG SER 53 -7.482 13.634 -15.397 373 H MET 54 H MET 54 -5.265 15.909 -10.621 374 HA MET 54 HA MET 54 -7.541 17.648 -9.926 375 HB2 MET 54 1HB MET 54 -5.865 15.917 -8.100 376 HB3 MET 54 2HB MET 54 -7.079 17.065 -7.551 377 HG2 MET 54 1HG MET 54 -7.700 14.781 -9.400 378 HG3 MET 54 2HG MET 54 -7.791 14.658 -7.645 379 HE1 MET 54 3HE MET 54 -10.329 14.340 -10.015 380 HE2 MET 54 1HE MET 54 -11.022 15.920 -10.382 381 HE3 MET 54 2HE MET 54 -9.362 15.555 -10.854 382 H LEU 55 H LEU 55 -4.109 17.272 -10.118 383 HA LEU 55 HA LEU 55 -3.697 19.889 -8.847 384 HB2 LEU 55 1HB LEU 55 -1.393 19.291 -8.605 385 HB3 LEU 55 2HB LEU 55 -2.392 17.978 -7.984 386 HG LEU 55 HG LEU 55 -1.439 17.766 -10.788 387 HD11 LEU 55 1HD1 LEU 55 0.360 17.183 -8.445 388 HD12 LEU 55 2HD1 LEU 55 0.525 18.583 -9.503 389 HD13 LEU 55 3HD1 LEU 55 0.723 16.957 -10.156 390 HD21 LEU 55 3HD2 LEU 55 -1.260 15.595 -8.781 391 HD22 LEU 55 1HD2 LEU 55 -1.761 15.542 -10.471 392 HD23 LEU 55 2HD2 LEU 55 -2.874 16.140 -9.241 393 H ASP 56 H ASP 56 -3.552 18.193 -11.852 394 HA ASP 56 HA ASP 56 -2.027 20.304 -13.158 395 HB2 ASP 56 1HB ASP 56 -1.846 17.746 -13.620 396 HB3 ASP 56 2HB ASP 56 -3.293 17.992 -14.594 397 H LYS 57 H LYS 57 -5.115 18.652 -13.845 398 HA LYS 57 HA LYS 57 -6.067 21.086 -15.162 399 HB2 LYS 57 1HB LYS 57 -7.179 18.275 -15.117 400 HB3 LYS 57 2HB LYS 57 -7.923 19.625 -15.965 401 HG2 LYS 57 1HG LYS 57 -5.127 18.662 -16.514 402 HG3 LYS 57 2HG LYS 57 -6.551 18.090 -17.386 403 HD2 LYS 57 1HD LYS 57 -6.116 21.025 -17.175 404 HD3 LYS 57 2HD LYS 57 -5.090 20.108 -18.279 405 HE2 LYS 57 1HE LYS 57 -6.976 19.321 -19.500 406 HE3 LYS 57 2HE LYS 57 -8.096 19.938 -18.287 407 HZ1 LYS 57 3HZ LYS 57 -6.642 22.121 -19.074 408 HZ2 LYS 57 1HZ LYS 57 -8.227 21.751 -19.536 409 HZ3 LYS 57 2HZ LYS 57 -6.930 21.280 -20.513 410 H GLY 58 H GLY 58 -7.198 18.698 -12.767 411 HA2 GLY 58 1HA GLY 58 -8.038 19.691 -10.644 412 HA3 GLY 58 2HA GLY 58 -8.932 20.818 -11.654 413 H GLU 59 H GLU 59 -9.730 18.851 -13.614 414 HA GLU 59 HA GLU 59 -11.735 17.415 -12.005 415 HB2 GLU 59 1HB GLU 59 -11.852 18.736 -14.688 416 HB3 GLU 59 2HB GLU 59 -12.932 17.393 -14.343 417 HG2 GLU 59 1HG GLU 59 -12.777 19.621 -12.385 418 HG3 GLU 59 2HG GLU 59 -13.642 19.883 -13.898 419 H SER 60 H SER 60 -12.384 15.310 -12.684 420 HA SER 60 HA SER 60 -10.205 13.842 -13.984 421 HB2 SER 60 1HB SER 60 -11.108 11.855 -12.914 422 HB3 SER 60 2HB SER 60 -10.925 13.130 -11.709 423 HG SER 60 HG SER 60 -13.262 12.078 -12.856 424 H SER 61 H SER 61 -10.451 12.820 -15.879 425 HA SER 61 HA SER 61 -13.021 12.055 -16.903 426 HB2 SER 61 1HB SER 61 -11.606 14.477 -17.968 427 HB3 SER 61 2HB SER 61 -12.566 13.474 -19.055 428 HG SER 61 HG SER 61 -13.861 14.045 -16.723 429 H CYS 62 H CYS 62 -12.813 11.093 -19.126 430 HA CYS 62 HA CYS 62 -11.010 9.061 -19.231 431 HB2 CYS 62 1HB CYS 62 -12.990 9.346 -20.731 432 HB3 CYS 62 2HB CYS 62 -12.059 10.507 -21.672 433 HA PRO 63 HA PRO 63 -7.162 11.244 -19.857 434 HB2 PRO 63 1HB PRO 63 -5.595 9.030 -19.761 435 HB3 PRO 63 2HB PRO 63 -6.262 9.798 -18.316 436 HG2 PRO 63 1HG PRO 63 -7.241 7.393 -19.806 437 HG3 PRO 63 2HG PRO 63 -7.103 7.646 -18.056 438 HD2 PRO 63 1HD PRO 63 -9.453 7.879 -19.381 439 HD3 PRO 63 2HD PRO 63 -9.063 8.853 -17.949 440 H VAL 64 H VAL 64 -8.881 9.371 -21.956 441 HA VAL 64 HA VAL 64 -6.755 9.309 -23.986 442 HB VAL 64 HB VAL 64 -9.428 7.900 -23.966 443 HG11 VAL 64 1HG1 VAL 64 -7.184 7.409 -25.897 444 HG12 VAL 64 2HG1 VAL 64 -8.876 6.922 -26.017 445 HG13 VAL 64 3HG1 VAL 64 -8.428 8.617 -26.215 446 HG21 VAL 64 3HG2 VAL 64 -6.652 6.753 -23.691 447 HG22 VAL 64 1HG2 VAL 64 -7.760 7.032 -22.348 448 HG23 VAL 64 2HG2 VAL 64 -8.178 5.872 -23.608 449 H CYS 65 H CYS 65 -10.287 9.826 -23.938 450 HA CYS 65 HA CYS 65 -9.949 11.823 -26.062 451 HB2 CYS 65 1HB CYS 65 -12.373 11.538 -26.445 452 HB3 CYS 65 2HB CYS 65 -11.496 10.019 -26.593 453 H ARG 66 H ARG 66 -10.755 11.460 -22.750 454 HA ARG 66 HA ARG 66 -11.335 12.934 -21.118 455 HB2 ARG 66 1HB ARG 66 -10.221 14.759 -23.221 456 HB3 ARG 66 2HB ARG 66 -10.943 15.429 -21.765 457 HG2 ARG 66 1HG ARG 66 -8.752 15.315 -21.137 458 HG3 ARG 66 2HG ARG 66 -9.329 13.749 -20.566 459 HD2 ARG 66 1HD ARG 66 -8.230 12.590 -22.206 460 HD3 ARG 66 2HD ARG 66 -8.281 13.938 -23.341 461 HE ARG 66 HE ARG 66 -6.261 13.415 -21.344 462 HH11 ARG 66 1HH1 ARG 66 -7.701 15.764 -23.472 463 HH12 ARG 66 2HH1 ARG 66 -6.302 16.784 -23.505 464 HH21 ARG 66 1HH2 ARG 66 -4.412 14.750 -21.379 465 HH22 ARG 66 2HH2 ARG 66 -4.431 16.207 -22.315 466 H ILE 67 H ILE 67 -13.423 11.942 -22.642 467 HA ILE 67 HA ILE 67 -15.178 13.804 -23.740 468 HB ILE 67 HB ILE 67 -15.474 11.357 -23.918 469 HG12 ILE 67 1HG1 ILE 67 -17.955 12.464 -22.637 470 HG13 ILE 67 2HG1 ILE 67 -17.352 13.147 -24.143 471 HG21 ILE 67 1HG2 ILE 67 -14.991 10.523 -21.787 472 HG22 ILE 67 2HG2 ILE 67 -16.120 11.626 -21.001 473 HG23 ILE 67 3HG2 ILE 67 -16.728 10.280 -21.964 474 HD11 ILE 67 3HD1 ILE 67 -17.448 10.287 -24.320 475 HD12 ILE 67 1HD1 ILE 67 -19.011 10.929 -23.818 476 HD13 ILE 67 2HD1 ILE 67 -18.259 11.502 -25.307 477 H SER 68 H SER 68 -17.154 14.695 -22.873 478 HA SER 68 HA SER 68 -16.742 15.802 -20.230 479 HB2 SER 68 1HB SER 68 -17.660 16.984 -22.403 480 HB3 SER 68 2HB SER 68 -19.205 16.343 -21.843 481 HG SER 68 HG SER 68 -18.938 18.361 -20.946 482 H TYR 69 H TYR 69 -17.354 12.956 -20.469 483 HA TYR 69 HA TYR 69 -20.074 12.625 -19.565 484 HB2 TYR 69 1HB TYR 69 -19.717 10.346 -19.740 485 HB3 TYR 69 2HB TYR 69 -18.566 10.961 -20.922 486 HD1 TYR 69 2HD TYR 69 -16.517 11.956 -18.859 487 HD2 TYR 69 1HD TYR 69 -18.616 8.280 -19.285 488 HE1 TYR 69 2HE TYR 69 -14.693 10.787 -17.695 489 HE2 TYR 69 1HE TYR 69 -16.798 7.100 -18.122 490 HH TYR 69 HH TYR 69 -14.840 8.122 -16.257 491 H GLN 70 H GLN 70 -20.440 11.287 -17.529 492 HA GLN 70 HA GLN 70 -19.029 12.610 -15.342 493 HB2 GLN 70 1HB GLN 70 -21.667 11.248 -15.636 494 HB3 GLN 70 2HB GLN 70 -20.930 11.300 -14.041 495 HG2 GLN 70 1HG GLN 70 -22.333 13.160 -14.114 496 HG3 GLN 70 2HG GLN 70 -20.715 13.806 -14.391 497 HE21 GLN 70 1HE2 GLN 70 -21.480 15.632 -15.427 498 HE22 GLN 70 2HE2 GLN 70 -22.161 15.583 -17.014 499 HA PRO 71 HA PRO 71 -16.626 8.880 -14.810 500 HB2 PRO 71 1HB PRO 71 -15.128 9.834 -12.757 501 HB3 PRO 71 2HB PRO 71 -14.829 10.264 -14.446 502 HG2 PRO 71 1HG PRO 71 -16.278 11.804 -12.326 503 HG3 PRO 71 2HG PRO 71 -15.114 12.384 -13.532 504 HD2 PRO 71 1HD PRO 71 -17.788 12.686 -13.828 505 HD3 PRO 71 2HD PRO 71 -16.694 12.459 -15.207 506 H GLU 72 H GLU 72 -19.101 10.053 -12.994 507 HA GLU 72 HA GLU 72 -18.671 8.180 -10.772 508 HB2 GLU 72 1HB GLU 72 -19.170 10.440 -10.061 509 HB3 GLU 72 2HB GLU 72 -20.603 10.484 -11.079 510 HG2 GLU 72 1HG GLU 72 -21.476 10.104 -8.979 511 HG3 GLU 72 2HG GLU 72 -21.398 8.482 -9.667 512 H ASN 73 H ASN 73 -21.070 9.144 -13.200 513 HA ASN 73 HA ASN 73 -22.843 6.977 -12.544 514 HB2 ASN 73 1HB ASN 73 -24.195 7.769 -14.396 515 HB3 ASN 73 2HB ASN 73 -23.658 9.148 -13.440 516 HD21 ASN 73 1HD2 ASN 73 -24.423 10.000 -15.670 517 HD22 ASN 73 2HD2 ASN 73 -23.162 10.252 -16.823 518 H ILE 74 H ILE 74 -20.788 5.533 -12.827 519 HA ILE 74 HA ILE 74 -21.007 4.319 -15.490 520 HB ILE 74 HB ILE 74 -18.368 4.638 -14.061 521 HG12 ILE 74 1HG1 ILE 74 -19.082 6.066 -16.601 522 HG13 ILE 74 2HG1 ILE 74 -19.543 6.758 -15.049 523 HG21 ILE 74 1HG2 ILE 74 -17.513 3.260 -15.586 524 HG22 ILE 74 2HG2 ILE 74 -19.172 2.854 -16.023 525 HG23 ILE 74 3HG2 ILE 74 -18.309 4.113 -16.907 526 HD11 ILE 74 3HD1 ILE 74 -17.351 7.520 -16.102 527 HD12 ILE 74 1HD1 ILE 74 -17.328 7.063 -14.399 528 HD13 ILE 74 2HD1 ILE 74 -16.720 5.946 -15.621 529 H ARG 75 H ARG 75 -20.813 2.093 -15.548 530 HA ARG 75 HA ARG 75 -20.167 0.653 -13.105 531 HB2 ARG 75 1HB ARG 75 -22.237 -0.562 -13.002 532 HB3 ARG 75 2HB ARG 75 -22.609 1.156 -12.985 533 HG2 ARG 75 1HG ARG 75 -22.910 0.873 -15.537 534 HG3 ARG 75 2HG ARG 75 -23.036 -0.846 -15.160 535 HD2 ARG 75 1HD ARG 75 -24.785 -0.139 -13.425 536 HD3 ARG 75 2HD ARG 75 -24.808 1.408 -14.270 537 HE ARG 75 HE ARG 75 -25.191 -0.355 -16.268 538 HH11 ARG 75 1HH1 ARG 75 -26.713 0.058 -13.164 539 HH12 ARG 75 2HH1 ARG 75 -28.248 -0.553 -13.689 540 HH21 ARG 75 1HH2 ARG 75 -27.206 -1.161 -16.971 541 HH22 ARG 75 2HH2 ARG 75 -28.526 -1.246 -15.855 542 HA PRO 76 HA PRO 76 -18.412 -2.137 -16.023 543 HB2 PRO 76 1HB PRO 76 -18.210 -4.336 -14.445 544 HB3 PRO 76 2HB PRO 76 -17.150 -2.932 -14.275 545 HG2 PRO 76 1HG PRO 76 -19.578 -3.675 -12.689 546 HG3 PRO 76 2HG PRO 76 -18.020 -3.045 -12.122 547 HD2 PRO 76 1HD PRO 76 -20.210 -1.478 -12.400 548 HD3 PRO 76 2HD PRO 76 -18.562 -0.870 -12.655 549 H ASN 77 H ASN 77 -18.761 -4.380 -16.908 550 HA ASN 77 HA ASN 77 -21.602 -4.754 -17.385 551 HB2 ASN 77 1HB ASN 77 -19.085 -5.709 -18.693 552 HB3 ASN 77 2HB ASN 77 -20.582 -6.594 -18.971 553 HD21 ASN 77 1HD2 ASN 77 -19.167 -3.363 -19.108 554 HD22 ASN 77 2HD2 ASN 77 -20.124 -2.808 -20.435 555 H ARG 78 H ARG 78 -20.854 -5.407 -14.781 556 HA ARG 78 HA ARG 78 -21.044 -8.348 -14.788 557 HB2 ARG 78 1HB ARG 78 -18.994 -7.467 -13.717 558 HB3 ARG 78 2HB ARG 78 -19.992 -6.553 -12.594 559 HG2 ARG 78 1HG ARG 78 -19.335 -8.455 -11.409 560 HG3 ARG 78 2HG ARG 78 -20.993 -8.789 -11.911 561 HD2 ARG 78 1HD ARG 78 -20.251 -10.205 -13.680 562 HD3 ARG 78 2HD ARG 78 -18.574 -9.713 -13.447 563 HE ARG 78 HE ARG 78 -19.222 -10.792 -11.060 564 HH11 ARG 78 1HH1 ARG 78 -19.529 -11.919 -14.340 565 HH12 ARG 78 2HH1 ARG 78 -19.357 -13.591 -13.920 566 HH21 ARG 78 1HH2 ARG 78 -18.994 -12.990 -10.494 567 HH22 ARG 78 2HH2 ARG 78 -19.053 -14.199 -11.732 568 H HIS 79 H HIS 79 -22.101 -5.422 -13.068 569 HA HIS 79 HA HIS 79 -23.980 -6.583 -11.384 570 HB2 HIS 79 1HB HIS 79 -23.604 -3.865 -12.546 571 HB3 HIS 79 2HB HIS 79 -25.150 -4.221 -11.781 572 HD2 HIS 79 2HD HIS 79 -21.542 -3.334 -10.819 573 HE1 HIS 79 1HE HIS 79 -23.612 -4.265 -7.235 574 HE2 HIS 79 2HE HIS 79 -21.541 -3.236 -8.234 575 H VAL 80 H VAL 80 -25.353 -8.083 -12.181 576 HA VAL 80 HA VAL 80 -27.076 -7.287 -14.437 577 HB VAL 80 HB VAL 80 -27.496 -9.757 -14.713 578 HG11 VAL 80 1HG1 VAL 80 -25.187 -8.197 -15.448 579 HG12 VAL 80 2HG1 VAL 80 -24.783 -9.912 -15.347 580 HG13 VAL 80 3HG1 VAL 80 -26.095 -9.373 -16.396 581 HG21 VAL 80 3HG2 VAL 80 -26.405 -11.340 -13.509 582 HG22 VAL 80 1HG2 VAL 80 -24.964 -10.345 -13.301 583 HG23 VAL 80 2HG2 VAL 80 -26.386 -10.059 -12.297 584 H ALA 81 H ALA 81 -28.227 -6.150 -12.589 585 HA ALA 81 HA ALA 81 -29.858 -6.038 -10.973 586 HB1 ALA 81 3HB ALA 81 -31.393 -8.159 -12.342 587 HB2 ALA 81 1HB ALA 81 -31.865 -6.518 -11.899 588 HB3 ALA 81 2HB ALA 81 -30.875 -6.794 -13.332 589 H ASN 82 H ASN 82 -27.815 -7.746 -10.130 590 HA ASN 82 HA ASN 82 -29.227 -9.310 -8.186 591 HB2 ASN 82 1HB ASN 82 -27.849 -10.629 -10.484 592 HB3 ASN 82 2HB ASN 82 -27.737 -11.383 -8.897 593 HD21 ASN 82 1HD2 ASN 82 -29.337 -11.580 -11.651 594 HD22 ASN 82 2HD2 ASN 82 -30.887 -12.109 -11.099 595 H ILE 83 H ILE 83 -28.182 -8.543 -6.463 596 HA ILE 83 HA ILE 83 -25.265 -8.262 -6.562 597 HB ILE 83 HB ILE 83 -25.477 -6.946 -4.509 598 HG12 ILE 83 1HG1 ILE 83 -28.469 -7.108 -4.811 599 HG13 ILE 83 2HG1 ILE 83 -27.587 -8.236 -3.788 600 HG21 ILE 83 1HG2 ILE 83 -25.561 -5.715 -6.543 601 HG22 ILE 83 2HG2 ILE 83 -27.257 -6.126 -6.794 602 HG23 ILE 83 3HG2 ILE 83 -26.796 -5.044 -5.479 603 HD11 ILE 83 3HD1 ILE 83 -28.625 -5.893 -2.947 604 HD12 ILE 83 1HD1 ILE 83 -27.266 -6.713 -2.179 605 HD13 ILE 83 2HD1 ILE 83 -26.973 -5.407 -3.327 606 H VAL 84 H VAL 84 -24.234 -8.663 -4.290 607 HA VAL 84 HA VAL 84 -24.003 -11.311 -3.791 608 HB VAL 84 HB VAL 84 -22.578 -9.593 -2.744 609 HG11 VAL 84 1HG1 VAL 84 -23.557 -7.916 -1.659 610 HG12 VAL 84 2HG1 VAL 84 -25.095 -8.779 -1.590 611 HG13 VAL 84 3HG1 VAL 84 -23.877 -9.043 -0.342 612 HG21 VAL 84 3HG2 VAL 84 -23.079 -10.822 -0.281 613 HG22 VAL 84 1HG2 VAL 84 -23.570 -11.991 -1.506 614 HG23 VAL 84 2HG2 VAL 84 -21.933 -11.334 -1.520 615 H GLU 85 H GLU 85 -24.947 -12.863 -2.503 616 HA GLU 85 HA GLU 85 -27.667 -12.239 -1.592 617 HB2 GLU 85 1HB GLU 85 -27.045 -14.147 -3.279 618 HB3 GLU 85 2HB GLU 85 -26.597 -15.027 -1.825 619 HG2 GLU 85 1HG GLU 85 -28.778 -15.686 -2.170 620 HG3 GLU 85 2HG GLU 85 -28.948 -14.393 -0.985 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -20.334 -6.202 -3.142 2 HA2 GLY 1 1HA GLY 1 -19.630 -8.622 -1.603 3 HA3 GLY 1 2HA GLY 1 -19.090 -8.405 -3.261 4 H SER 2 H SER 2 -17.029 -8.831 -1.914 5 HA SER 2 HA SER 2 -15.949 -6.236 -1.026 6 HB2 SER 2 1HB SER 2 -15.454 -9.028 -0.024 7 HB3 SER 2 2HB SER 2 -14.257 -7.757 0.223 8 HG SER 2 HG SER 2 -15.936 -6.536 1.248 9 H SER 3 H SER 3 -14.555 -5.396 -2.412 10 HA SER 3 HA SER 3 -13.376 -6.966 -4.507 11 HB2 SER 3 1HB SER 3 -14.130 -4.428 -4.474 12 HB3 SER 3 2HB SER 3 -12.471 -4.176 -3.932 13 HG SER 3 HG SER 3 -12.816 -5.852 -6.116 14 H GLY 4 H GLY 4 -11.436 -7.908 -4.540 15 HA2 GLY 4 1HA GLY 4 -9.301 -6.934 -2.809 16 HA3 GLY 4 2HA GLY 4 -9.864 -8.570 -2.504 17 H SER 5 H SER 5 -7.236 -8.045 -3.191 18 HA SER 5 HA SER 5 -7.003 -9.644 -5.587 19 HB2 SER 5 1HB SER 5 -5.435 -8.055 -6.695 20 HB3 SER 5 2HB SER 5 -7.081 -7.433 -6.587 21 HG SER 5 HG SER 5 -6.354 -5.843 -5.436 22 H SER 6 H SER 6 -5.117 -10.809 -5.666 23 HA SER 6 HA SER 6 -2.939 -10.176 -3.854 24 HB2 SER 6 1HB SER 6 -4.699 -12.599 -3.542 25 HB3 SER 6 2HB SER 6 -3.022 -12.612 -2.995 26 HG SER 6 HG SER 6 -4.094 -10.387 -2.091 27 H GLY 7 H GLY 7 -0.997 -11.280 -4.337 28 HA2 GLY 7 1HA GLY 7 -0.209 -11.581 -6.871 29 HA3 GLY 7 2HA GLY 7 0.438 -12.608 -5.600 30 H MET 8 H MET 8 -0.305 -12.988 -8.544 31 HA MET 8 HA MET 8 -2.018 -15.356 -8.171 32 HB2 MET 8 1HB MET 8 -1.647 -13.565 -10.572 33 HB3 MET 8 2HB MET 8 -2.466 -15.119 -10.650 34 HG2 MET 8 1HG MET 8 -4.274 -14.384 -9.436 35 HG3 MET 8 2HG MET 8 -3.362 -13.090 -8.662 36 HE1 MET 8 3HE MET 8 -3.197 -10.317 -11.280 37 HE2 MET 8 1HE MET 8 -3.481 -10.547 -9.554 38 HE3 MET 8 2HE MET 8 -2.104 -11.326 -10.332 39 H ALA 9 H ALA 9 -1.039 -17.250 -8.373 40 HA ALA 9 HA ALA 9 1.641 -17.387 -9.485 41 HB1 ALA 9 3HB ALA 9 -0.000 -19.591 -8.246 42 HB2 ALA 9 1HB ALA 9 1.735 -19.606 -8.563 43 HB3 ALA 9 2HB ALA 9 1.068 -18.511 -7.351 44 H SER 10 H SER 10 -0.273 -16.789 -11.420 45 HA SER 10 HA SER 10 -1.179 -19.104 -12.802 46 HB2 SER 10 1HB SER 10 -1.022 -16.184 -13.397 47 HB3 SER 10 2HB SER 10 -1.244 -17.293 -14.750 48 HG SER 10 HG SER 10 -3.027 -18.182 -13.437 49 H GLY 11 H GLY 11 -0.178 -20.378 -14.236 50 HA2 GLY 11 1HA GLY 11 2.645 -19.907 -14.748 51 HA3 GLY 11 2HA GLY 11 1.742 -21.365 -15.134 52 H ILE 12 H ILE 12 2.036 -17.953 -16.096 53 HA ILE 12 HA ILE 12 1.254 -18.721 -18.822 54 HB ILE 12 HB ILE 12 0.898 -16.340 -19.242 55 HG12 ILE 12 1HG1 ILE 12 1.475 -15.871 -16.316 56 HG13 ILE 12 2HG1 ILE 12 2.674 -15.609 -17.577 57 HG21 ILE 12 1HG2 ILE 12 -0.798 -17.925 -18.056 58 HG22 ILE 12 2HG2 ILE 12 -0.521 -16.871 -16.671 59 HG23 ILE 12 3HG2 ILE 12 -1.142 -16.200 -18.179 60 HD11 ILE 12 3HD1 ILE 12 1.717 -13.511 -17.091 61 HD12 ILE 12 1HD1 ILE 12 1.043 -14.021 -18.639 62 HD13 ILE 12 2HD1 ILE 12 0.079 -14.159 -17.168 63 H LEU 13 H LEU 13 2.376 -17.346 -20.559 64 HA LEU 13 HA LEU 13 5.202 -16.893 -19.934 65 HB2 LEU 13 1HB LEU 13 4.091 -18.749 -22.008 66 HB3 LEU 13 2HB LEU 13 5.678 -18.007 -22.210 67 HG LEU 13 HG LEU 13 6.367 -19.060 -20.056 68 HD11 LEU 13 1HD1 LEU 13 3.559 -19.744 -20.011 69 HD12 LEU 13 2HD1 LEU 13 4.760 -19.818 -18.722 70 HD13 LEU 13 3HD1 LEU 13 4.581 -21.171 -19.839 71 HD21 LEU 13 3HD2 LEU 13 5.761 -20.422 -22.574 72 HD22 LEU 13 1HD2 LEU 13 5.963 -21.505 -21.197 73 HD23 LEU 13 2HD2 LEU 13 7.252 -20.382 -21.632 74 H VAL 14 H VAL 14 6.030 -15.128 -20.884 75 HA VAL 14 HA VAL 14 4.643 -13.079 -21.914 76 HB VAL 14 HB VAL 14 7.048 -12.954 -21.455 77 HG11 VAL 14 1HG1 VAL 14 7.555 -15.137 -22.633 78 HG12 VAL 14 2HG1 VAL 14 7.519 -14.222 -24.141 79 HG13 VAL 14 3HG1 VAL 14 8.703 -13.825 -22.896 80 HG21 VAL 14 3HG2 VAL 14 7.144 -12.031 -24.208 81 HG22 VAL 14 1HG2 VAL 14 5.643 -11.585 -23.397 82 HG23 VAL 14 2HG2 VAL 14 7.195 -11.110 -22.705 83 H ASN 15 H ASN 15 3.244 -12.897 -23.525 84 HA ASN 15 HA ASN 15 3.824 -14.279 -26.059 85 HB2 ASN 15 1HB ASN 15 1.508 -14.838 -26.346 86 HB3 ASN 15 2HB ASN 15 1.992 -15.395 -24.747 87 HD21 ASN 15 1HD2 ASN 15 -0.579 -15.224 -25.038 88 HD22 ASN 15 2HD2 ASN 15 -1.245 -13.818 -24.287 89 H VAL 16 H VAL 16 2.203 -13.341 -27.806 90 HA VAL 16 HA VAL 16 2.972 -10.717 -28.325 91 HB VAL 16 HB VAL 16 1.384 -10.710 -30.136 92 HG11 VAL 16 1HG1 VAL 16 1.968 -13.546 -30.348 93 HG12 VAL 16 2HG1 VAL 16 2.573 -12.192 -31.304 94 HG13 VAL 16 3HG1 VAL 16 3.354 -12.616 -29.781 95 HG21 VAL 16 3HG2 VAL 16 0.171 -13.198 -28.938 96 HG22 VAL 16 1HG2 VAL 16 -0.530 -11.584 -28.817 97 HG23 VAL 16 2HG2 VAL 16 -0.354 -12.354 -30.394 98 H LYS 17 H LYS 17 1.701 -8.772 -28.453 99 HA LYS 17 HA LYS 17 0.595 -7.850 -26.184 100 HB2 LYS 17 1HB LYS 17 -0.518 -6.126 -27.462 101 HB3 LYS 17 2HB LYS 17 1.035 -6.483 -28.206 102 HG2 LYS 17 1HG LYS 17 -1.361 -7.917 -29.216 103 HG3 LYS 17 2HG LYS 17 -1.163 -6.214 -29.634 104 HD2 LYS 17 1HD LYS 17 1.047 -6.689 -30.556 105 HD3 LYS 17 2HD LYS 17 0.877 -8.389 -30.110 106 HE2 LYS 17 1HE LYS 17 0.237 -8.483 -32.304 107 HE3 LYS 17 2HE LYS 17 -1.326 -8.193 -31.540 108 HZ1 LYS 17 3HZ LYS 17 -0.648 -5.713 -31.924 109 HZ2 LYS 17 1HZ LYS 17 -1.347 -6.619 -33.171 110 HZ3 LYS 17 2HZ LYS 17 0.327 -6.375 -33.138 111 H GLU 18 H GLU 18 -1.431 -7.681 -25.228 112 HA GLU 18 HA GLU 18 -3.223 -9.880 -25.804 113 HB2 GLU 18 1HB GLU 18 -3.394 -7.740 -23.674 114 HB3 GLU 18 2HB GLU 18 -4.388 -9.188 -23.761 115 HG2 GLU 18 1HG GLU 18 -1.429 -9.481 -23.674 116 HG3 GLU 18 2HG GLU 18 -2.295 -9.072 -22.194 117 H GLU 19 H GLU 19 -5.303 -9.743 -26.540 118 HA GLU 19 HA GLU 19 -6.114 -8.086 -28.447 119 HB2 GLU 19 1HB GLU 19 -8.490 -8.430 -27.683 120 HB3 GLU 19 2HB GLU 19 -7.534 -9.896 -27.843 121 HG2 GLU 19 1HG GLU 19 -7.089 -9.666 -25.340 122 HG3 GLU 19 2HG GLU 19 -8.410 -8.499 -25.343 123 H VAL 20 H VAL 20 -6.821 -7.426 -25.016 124 HA VAL 20 HA VAL 20 -7.112 -4.578 -25.726 125 HB VAL 20 HB VAL 20 -8.430 -6.008 -23.414 126 HG11 VAL 20 1HG1 VAL 20 -7.835 -3.363 -23.613 127 HG12 VAL 20 2HG1 VAL 20 -9.452 -3.412 -24.318 128 HG13 VAL 20 3HG1 VAL 20 -9.181 -4.022 -22.685 129 HG21 VAL 20 3HG2 VAL 20 -9.391 -6.765 -25.501 130 HG22 VAL 20 1HG2 VAL 20 -10.522 -5.685 -24.685 131 HG23 VAL 20 2HG2 VAL 20 -9.576 -5.100 -26.053 132 H THR 21 H THR 21 -5.663 -3.246 -24.873 133 HA THR 21 HA THR 21 -4.165 -4.139 -22.495 134 HB THR 21 HB THR 21 -3.167 -2.319 -24.695 135 HG1 THR 21 1HG THR 21 -1.699 -4.373 -24.771 136 HG21 THR 21 3HG2 THR 21 -1.830 -3.485 -22.254 137 HG22 THR 21 1HG2 THR 21 -2.103 -1.780 -22.612 138 HG23 THR 21 2HG2 THR 21 -0.962 -2.713 -23.581 139 H CYS 22 H CYS 22 -3.454 -2.484 -21.025 140 HA CYS 22 HA CYS 22 -5.430 -0.372 -20.747 141 HB2 CYS 22 1HB CYS 22 -4.838 -1.763 -18.798 142 HB3 CYS 22 2HB CYS 22 -3.176 -1.192 -18.903 143 HA PRO 23 HA PRO 23 -2.720 2.622 -22.601 144 HB2 PRO 23 1HB PRO 23 -4.280 4.785 -22.095 145 HB3 PRO 23 2HB PRO 23 -4.631 3.628 -23.384 146 HG2 PRO 23 1HG PRO 23 -5.812 3.821 -20.640 147 HG3 PRO 23 2HG PRO 23 -6.622 3.518 -22.188 148 HD2 PRO 23 1HD PRO 23 -6.030 1.536 -20.441 149 HD3 PRO 23 2HD PRO 23 -6.041 1.287 -22.199 150 H ILE 24 H ILE 24 -3.312 2.126 -19.372 151 HA ILE 24 HA ILE 24 -1.770 4.480 -18.524 152 HB ILE 24 HB ILE 24 -3.574 2.613 -17.002 153 HG12 ILE 24 1HG1 ILE 24 -3.660 5.601 -16.905 154 HG13 ILE 24 2HG1 ILE 24 -4.281 4.782 -18.334 155 HG21 ILE 24 1HG2 ILE 24 -1.556 2.963 -15.671 156 HG22 ILE 24 2HG2 ILE 24 -1.736 4.707 -15.850 157 HG23 ILE 24 3HG2 ILE 24 -2.944 3.784 -14.956 158 HD11 ILE 24 3HD1 ILE 24 -6.167 5.004 -17.049 159 HD12 ILE 24 1HD1 ILE 24 -5.629 3.383 -16.610 160 HD13 ILE 24 2HD1 ILE 24 -5.299 4.743 -15.536 161 H CYS 25 H CYS 25 -2.070 1.126 -17.352 162 HA CYS 25 HA CYS 25 0.710 1.104 -16.576 163 HB2 CYS 25 1HB CYS 25 0.212 -1.197 -15.785 164 HB3 CYS 25 2HB CYS 25 -0.897 0.005 -15.133 165 H LEU 26 H LEU 26 -0.887 0.593 -19.435 166 HA LEU 26 HA LEU 26 -0.471 -0.624 -21.341 167 HB2 LEU 26 1HB LEU 26 2.390 -0.004 -20.656 168 HB3 LEU 26 2HB LEU 26 1.671 -0.176 -22.256 169 HG LEU 26 HG LEU 26 1.084 2.073 -20.332 170 HD11 LEU 26 1HD1 LEU 26 2.529 2.512 -22.877 171 HD12 LEU 26 2HD1 LEU 26 3.432 1.776 -21.553 172 HD13 LEU 26 3HD1 LEU 26 2.667 3.349 -21.331 173 HD21 LEU 26 3HD2 LEU 26 0.344 2.956 -22.759 174 HD22 LEU 26 1HD2 LEU 26 -0.757 2.162 -21.634 175 HD23 LEU 26 2HD2 LEU 26 -0.014 1.238 -22.940 176 H GLU 27 H GLU 27 -0.883 -2.430 -19.381 177 HA GLU 27 HA GLU 27 1.227 -4.440 -19.827 178 HB2 GLU 27 1HB GLU 27 -0.617 -4.158 -17.447 179 HB3 GLU 27 2HB GLU 27 0.538 -5.462 -17.684 180 HG2 GLU 27 1HG GLU 27 2.213 -3.415 -17.907 181 HG3 GLU 27 2HG GLU 27 0.987 -2.645 -16.901 182 H LEU 28 H LEU 28 -2.158 -4.480 -18.708 183 HA LEU 28 HA LEU 28 -3.141 -5.815 -21.010 184 HB2 LEU 28 1HB LEU 28 -2.073 -7.763 -20.313 185 HB3 LEU 28 2HB LEU 28 -2.399 -7.445 -18.611 186 HG LEU 28 HG LEU 28 -4.748 -8.015 -18.944 187 HD11 LEU 28 1HD1 LEU 28 -3.953 -7.905 -21.761 188 HD12 LEU 28 2HD1 LEU 28 -5.530 -7.656 -21.012 189 HD13 LEU 28 3HD1 LEU 28 -4.956 -9.292 -21.334 190 HD21 LEU 28 3HD2 LEU 28 -2.730 -9.735 -18.677 191 HD22 LEU 28 1HD2 LEU 28 -3.366 -10.301 -20.221 192 HD23 LEU 28 2HD2 LEU 28 -4.411 -10.254 -18.801 193 H LEU 29 H LEU 29 -5.328 -5.708 -21.090 194 HA LEU 29 HA LEU 29 -6.678 -4.654 -18.700 195 HB2 LEU 29 1HB LEU 29 -6.950 -4.167 -21.601 196 HB3 LEU 29 2HB LEU 29 -8.445 -4.186 -20.667 197 HG LEU 29 HG LEU 29 -6.092 -2.334 -20.320 198 HD11 LEU 29 1HD1 LEU 29 -8.094 -2.118 -22.085 199 HD12 LEU 29 2HD1 LEU 29 -7.342 -0.729 -21.303 200 HD13 LEU 29 3HD1 LEU 29 -8.861 -1.374 -20.682 201 HD21 LEU 29 3HD2 LEU 29 -7.999 -3.235 -18.379 202 HD22 LEU 29 1HD2 LEU 29 -8.247 -1.521 -18.714 203 HD23 LEU 29 2HD2 LEU 29 -6.664 -2.097 -18.189 204 H THR 30 H THR 30 -7.260 -6.544 -17.681 205 HA THR 30 HA THR 30 -8.858 -8.484 -19.191 206 HB THR 30 HB THR 30 -7.823 -8.749 -16.364 207 HG1 THR 30 1HG THR 30 -5.979 -9.366 -17.202 208 HG21 THR 30 3HG2 THR 30 -9.683 -10.222 -16.831 209 HG22 THR 30 1HG2 THR 30 -8.194 -11.165 -16.784 210 HG23 THR 30 2HG2 THR 30 -8.930 -10.753 -18.334 211 H GLN 31 H GLN 31 -10.889 -7.642 -19.309 212 HA GLN 31 HA GLN 31 -13.013 -7.175 -18.636 213 HB2 GLN 31 1HB GLN 31 -12.092 -8.020 -15.885 214 HB3 GLN 31 2HB GLN 31 -13.756 -7.892 -16.441 215 HG2 GLN 31 1HG GLN 31 -13.249 -9.668 -18.118 216 HG3 GLN 31 2HG GLN 31 -11.676 -9.866 -17.346 217 HE21 GLN 31 1HE2 GLN 31 -12.905 -12.081 -17.334 218 HE22 GLN 31 2HE2 GLN 31 -13.701 -12.444 -15.844 219 HA PRO 32 HA PRO 32 -11.189 -3.240 -16.741 220 HB2 PRO 32 1HB PRO 32 -11.304 -1.709 -18.980 221 HB3 PRO 32 2HB PRO 32 -9.891 -2.682 -18.553 222 HG2 PRO 32 1HG PRO 32 -12.096 -3.289 -20.485 223 HG3 PRO 32 2HG PRO 32 -10.350 -3.538 -20.666 224 HD2 PRO 32 1HD PRO 32 -12.048 -5.545 -20.019 225 HD3 PRO 32 2HD PRO 32 -10.372 -5.487 -19.435 226 H LEU 33 H LEU 33 -12.270 -0.898 -17.392 227 HA LEU 33 HA LEU 33 -15.153 -1.355 -17.052 228 HB2 LEU 33 1HB LEU 33 -13.586 1.138 -16.420 229 HB3 LEU 33 2HB LEU 33 -15.251 0.781 -15.966 230 HG LEU 33 HG LEU 33 -12.750 -0.505 -14.880 231 HD11 LEU 33 1HD1 LEU 33 -14.842 1.309 -13.700 232 HD12 LEU 33 2HD1 LEU 33 -13.119 1.627 -13.894 233 HD13 LEU 33 3HD1 LEU 33 -13.666 0.414 -12.737 234 HD21 LEU 33 3HD2 LEU 33 -14.997 -1.285 -13.393 235 HD22 LEU 33 1HD2 LEU 33 -13.966 -2.298 -14.403 236 HD23 LEU 33 2HD2 LEU 33 -15.412 -1.555 -15.087 237 H SER 34 H SER 34 -16.607 0.303 -17.978 238 HA SER 34 HA SER 34 -15.614 1.195 -20.604 239 HB2 SER 34 1HB SER 34 -17.341 -0.532 -20.778 240 HB3 SER 34 2HB SER 34 -18.429 0.436 -19.784 241 HG SER 34 HG SER 34 -17.889 2.083 -21.590 242 H LEU 35 H LEU 35 -16.310 3.213 -21.411 243 HA LEU 35 HA LEU 35 -17.542 5.021 -19.450 244 HB2 LEU 35 1HB LEU 35 -15.208 5.797 -21.182 245 HB3 LEU 35 2HB LEU 35 -15.955 6.742 -19.896 246 HG LEU 35 HG LEU 35 -14.476 4.159 -19.421 247 HD11 LEU 35 1HD1 LEU 35 -12.871 6.080 -18.408 248 HD12 LEU 35 2HD1 LEU 35 -13.493 6.898 -19.842 249 HD13 LEU 35 3HD1 LEU 35 -12.661 5.351 -20.001 250 HD21 LEU 35 3HD2 LEU 35 -15.268 4.354 -17.359 251 HD22 LEU 35 1HD2 LEU 35 -16.120 5.834 -17.801 252 HD23 LEU 35 2HD2 LEU 35 -14.460 5.916 -17.209 253 H ASP 36 H ASP 36 -18.134 7.165 -20.544 254 HA ASP 36 HA ASP 36 -19.649 6.515 -22.931 255 HB2 ASP 36 1HB ASP 36 -20.985 8.327 -22.436 256 HB3 ASP 36 2HB ASP 36 -20.396 7.919 -20.826 257 H CYS 37 H CYS 37 -16.743 6.713 -23.117 258 HA CYS 37 HA CYS 37 -16.577 8.905 -25.079 259 HB2 CYS 37 1HB CYS 37 -14.291 9.306 -24.481 260 HB3 CYS 37 2HB CYS 37 -15.237 9.322 -22.995 261 H GLY 38 H GLY 38 -15.575 5.653 -24.171 262 HA2 GLY 38 1HA GLY 38 -15.629 3.963 -25.939 263 HA3 GLY 38 2HA GLY 38 -14.924 5.165 -27.010 264 H HIS 39 H HIS 39 -13.998 4.344 -23.690 265 HA HIS 39 HA HIS 39 -11.597 3.001 -24.611 266 HB2 HIS 39 1HB HIS 39 -11.478 5.568 -23.016 267 HB3 HIS 39 2HB HIS 39 -10.108 4.494 -23.285 268 HD2 HIS 39 2HD HIS 39 -10.030 4.075 -26.398 269 HE1 HIS 39 1HE HIS 39 -10.571 8.266 -26.776 270 HE2 HIS 39 2HE HIS 39 -9.936 6.135 -27.960 271 H SER 40 H SER 40 -10.789 1.571 -23.140 272 HA SER 40 HA SER 40 -12.307 1.318 -20.636 273 HB2 SER 40 1HB SER 40 -10.553 -0.873 -21.672 274 HB3 SER 40 2HB SER 40 -12.060 -0.979 -20.762 275 HG SER 40 HG SER 40 -11.890 -1.383 -23.247 276 H PHE 41 H PHE 41 -11.070 0.369 -18.780 277 HA PHE 41 HA PHE 41 -8.230 0.763 -18.701 278 HB2 PHE 41 1HB PHE 41 -9.966 2.624 -17.065 279 HB3 PHE 41 2HB PHE 41 -8.208 2.540 -17.028 280 HD1 PHE 41 2HD PHE 41 -11.091 3.331 -19.215 281 HD2 PHE 41 1HD PHE 41 -6.917 3.788 -18.520 282 HE1 PHE 41 2HE PHE 41 -10.979 5.008 -21.012 283 HE2 PHE 41 1HE PHE 41 -6.799 5.467 -20.316 284 HZ PHE 41 HZ PHE 41 -8.831 6.078 -21.565 285 H CYS 42 H CYS 42 -7.523 0.664 -16.240 286 HA CYS 42 HA CYS 42 -8.748 -1.754 -15.209 287 HB2 CYS 42 1HB CYS 42 -6.324 -0.200 -14.279 288 HB3 CYS 42 2HB CYS 42 -6.844 -1.748 -13.620 289 H GLN 43 H GLN 43 -10.089 -1.871 -13.523 290 HA GLN 43 HA GLN 43 -11.493 0.202 -12.474 291 HB2 GLN 43 1HB GLN 43 -12.221 -2.023 -12.039 292 HB3 GLN 43 2HB GLN 43 -10.732 -2.417 -11.190 293 HG2 GLN 43 1HG GLN 43 -11.381 -1.374 -9.271 294 HG3 GLN 43 2HG GLN 43 -12.412 -0.220 -10.115 295 HE21 GLN 43 1HE2 GLN 43 -12.390 -3.727 -10.420 296 HE22 GLN 43 2HE2 GLN 43 -13.994 -3.972 -9.827 297 H ALA 44 H ALA 44 -8.246 -0.655 -11.735 298 HA ALA 44 HA ALA 44 -8.203 1.006 -9.329 299 HB1 ALA 44 3HB ALA 44 -5.856 -0.467 -10.483 300 HB2 ALA 44 1HB ALA 44 -6.121 0.059 -8.821 301 HB3 ALA 44 2HB ALA 44 -7.068 -1.272 -9.487 302 H CYS 45 H CYS 45 -6.232 0.682 -12.290 303 HA CYS 45 HA CYS 45 -4.704 2.913 -12.157 304 HB2 CYS 45 1HB CYS 45 -6.104 1.786 -14.587 305 HB3 CYS 45 2HB CYS 45 -4.838 3.006 -14.668 306 H LEU 46 H LEU 46 -8.082 2.782 -13.203 307 HA LEU 46 HA LEU 46 -8.354 5.451 -13.996 308 HB2 LEU 46 1HB LEU 46 -10.181 3.277 -13.178 309 HB3 LEU 46 2HB LEU 46 -10.825 4.915 -13.098 310 HG LEU 46 HG LEU 46 -9.534 3.911 -15.608 311 HD11 LEU 46 1HD1 LEU 46 -11.937 3.382 -16.313 312 HD12 LEU 46 2HD1 LEU 46 -12.286 3.299 -14.587 313 HD13 LEU 46 3HD1 LEU 46 -11.099 2.207 -15.299 314 HD21 LEU 46 3HD2 LEU 46 -10.910 5.571 -16.651 315 HD22 LEU 46 1HD2 LEU 46 -10.076 6.321 -15.290 316 HD23 LEU 46 2HD2 LEU 46 -11.776 5.872 -15.144 317 H THR 47 H THR 47 -8.965 3.927 -10.845 318 HA THR 47 HA THR 47 -9.916 6.122 -9.456 319 HB THR 47 HB THR 47 -8.155 3.893 -8.418 320 HG1 THR 47 1HG THR 47 -10.445 3.619 -9.400 321 HG21 THR 47 3HG2 THR 47 -10.056 5.291 -6.636 322 HG22 THR 47 1HG2 THR 47 -8.605 6.186 -7.085 323 HG23 THR 47 2HG2 THR 47 -8.463 4.617 -6.290 324 H ALA 48 H ALA 48 -6.558 5.138 -10.018 325 HA ALA 48 HA ALA 48 -5.401 7.214 -8.461 326 HB1 ALA 48 3HB ALA 48 -3.650 5.883 -8.754 327 HB2 ALA 48 1HB ALA 48 -4.482 5.002 -10.035 328 HB3 ALA 48 2HB ALA 48 -3.546 6.446 -10.422 329 H ASN 49 H ASN 49 -5.824 6.808 -11.975 330 HA ASN 49 HA ASN 49 -4.684 9.171 -12.833 331 HB2 ASN 49 1HB ASN 49 -5.610 7.255 -14.240 332 HB3 ASN 49 2HB ASN 49 -7.187 8.018 -14.060 333 HD21 ASN 49 1HD2 ASN 49 -7.637 9.888 -15.157 334 HD22 ASN 49 2HD2 ASN 49 -6.605 10.533 -16.383 335 H HIS 50 H HIS 50 -8.052 8.602 -11.854 336 HA HIS 50 HA HIS 50 -9.199 11.020 -12.369 337 HB2 HIS 50 1HB HIS 50 -9.562 9.151 -10.036 338 HB3 HIS 50 2HB HIS 50 -10.534 10.609 -10.208 339 HD2 HIS 50 2HD HIS 50 -12.549 8.398 -10.418 340 HE1 HIS 50 1HE HIS 50 -11.782 8.026 -14.574 341 HE2 HIS 50 2HE HIS 50 -13.400 7.542 -12.705 342 H LYS 51 H LYS 51 -7.052 10.218 -9.691 343 HA LYS 51 HA LYS 51 -7.313 12.800 -8.450 344 HB2 LYS 51 1HB LYS 51 -5.352 10.546 -7.990 345 HB3 LYS 51 2HB LYS 51 -5.443 12.001 -7.006 346 HG2 LYS 51 1HG LYS 51 -7.412 11.377 -6.015 347 HG3 LYS 51 2HG LYS 51 -7.899 10.360 -7.373 348 HD2 LYS 51 1HD LYS 51 -5.924 8.865 -6.719 349 HD3 LYS 51 2HD LYS 51 -5.908 9.768 -5.202 350 HE2 LYS 51 1HE LYS 51 -8.288 9.160 -4.873 351 HE3 LYS 51 2HE LYS 51 -8.207 8.173 -6.332 352 HZ1 LYS 51 3HZ LYS 51 -6.811 7.752 -3.759 353 HZ2 LYS 51 1HZ LYS 51 -6.305 6.987 -5.181 354 HZ3 LYS 51 2HZ LYS 51 -7.857 6.700 -4.572 355 H LYS 52 H LYS 52 -5.277 11.350 -10.849 356 HA LYS 52 HA LYS 52 -3.028 12.999 -10.704 357 HB2 LYS 52 1HB LYS 52 -3.683 10.903 -12.235 358 HB3 LYS 52 2HB LYS 52 -4.006 12.188 -13.393 359 HG2 LYS 52 1HG LYS 52 -1.425 12.291 -11.947 360 HG3 LYS 52 2HG LYS 52 -1.629 11.024 -13.160 361 HD2 LYS 52 1HD LYS 52 -0.865 12.658 -14.536 362 HD3 LYS 52 2HD LYS 52 -2.573 13.106 -14.552 363 HE2 LYS 52 1HE LYS 52 -2.112 14.674 -12.676 364 HE3 LYS 52 2HE LYS 52 -0.398 14.292 -12.832 365 HZ1 LYS 52 3HZ LYS 52 -1.143 14.949 -15.361 366 HZ2 LYS 52 1HZ LYS 52 -0.344 15.969 -14.273 367 HZ3 LYS 52 2HZ LYS 52 -2.027 16.038 -14.416 368 H SER 53 H SER 53 -5.565 13.298 -13.190 369 HA SER 53 HA SER 53 -4.882 16.045 -13.665 370 HB2 SER 53 1HB SER 53 -6.773 14.068 -14.832 371 HB3 SER 53 2HB SER 53 -7.168 15.774 -15.042 372 HG SER 53 HG SER 53 -4.780 15.838 -15.702 373 H MET 54 H MET 54 -5.499 15.881 -11.032 374 HA MET 54 HA MET 54 -8.077 17.296 -10.886 375 HB2 MET 54 1HB MET 54 -8.245 15.045 -9.876 376 HB3 MET 54 2HB MET 54 -6.930 15.452 -8.782 377 HG2 MET 54 1HG MET 54 -8.226 16.836 -7.511 378 HG3 MET 54 2HG MET 54 -9.316 17.218 -8.842 379 HE1 MET 54 3HE MET 54 -11.792 14.530 -9.075 380 HE2 MET 54 1HE MET 54 -10.658 15.523 -9.991 381 HE3 MET 54 2HE MET 54 -10.283 13.831 -9.664 382 H LEU 55 H LEU 55 -4.833 16.895 -9.562 383 HA LEU 55 HA LEU 55 -5.052 19.260 -7.916 384 HB2 LEU 55 1HB LEU 55 -2.761 18.808 -7.291 385 HB3 LEU 55 2HB LEU 55 -3.729 17.340 -7.180 386 HG LEU 55 HG LEU 55 -2.239 17.746 -9.703 387 HD11 LEU 55 1HD1 LEU 55 -0.725 18.466 -7.762 388 HD12 LEU 55 2HD1 LEU 55 -0.124 17.233 -8.870 389 HD13 LEU 55 3HD1 LEU 55 -0.754 16.767 -7.290 390 HD21 LEU 55 3HD2 LEU 55 -3.687 15.725 -8.652 391 HD22 LEU 55 1HD2 LEU 55 -2.066 15.262 -8.134 392 HD23 LEU 55 2HD2 LEU 55 -2.408 15.505 -9.847 393 H ASP 56 H ASP 56 -4.114 18.494 -11.122 394 HA ASP 56 HA ASP 56 -2.418 20.795 -11.498 395 HB2 ASP 56 1HB ASP 56 -2.035 18.754 -12.799 396 HB3 ASP 56 2HB ASP 56 -3.639 18.897 -13.513 397 H LYS 57 H LYS 57 -5.535 19.813 -12.934 398 HA LYS 57 HA LYS 57 -6.187 22.673 -13.221 399 HB2 LYS 57 1HB LYS 57 -7.077 20.309 -14.881 400 HB3 LYS 57 2HB LYS 57 -7.721 21.936 -15.056 401 HG2 LYS 57 1HG LYS 57 -5.625 22.778 -15.790 402 HG3 LYS 57 2HG LYS 57 -4.804 21.274 -15.363 403 HD2 LYS 57 1HD LYS 57 -7.060 21.134 -17.295 404 HD3 LYS 57 2HD LYS 57 -5.532 21.818 -17.855 405 HE2 LYS 57 1HE LYS 57 -5.591 19.208 -16.388 406 HE3 LYS 57 2HE LYS 57 -5.955 19.274 -18.111 407 HZ1 LYS 57 3HZ LYS 57 -3.423 19.719 -16.729 408 HZ2 LYS 57 1HZ LYS 57 -3.725 20.662 -18.100 409 HZ3 LYS 57 2HZ LYS 57 -3.727 18.975 -18.218 410 H GLY 58 H GLY 58 -7.627 19.470 -12.634 411 HA2 GLY 58 1HA GLY 58 -9.012 19.313 -10.582 412 HA3 GLY 58 2HA GLY 58 -9.735 20.837 -11.076 413 H GLU 59 H GLU 59 -8.979 18.074 -13.144 414 HA GLU 59 HA GLU 59 -11.618 17.031 -13.199 415 HB2 GLU 59 1HB GLU 59 -12.061 17.685 -15.616 416 HB3 GLU 59 2HB GLU 59 -12.277 18.947 -14.411 417 HG2 GLU 59 1HG GLU 59 -10.301 20.037 -15.033 418 HG3 GLU 59 2HG GLU 59 -9.714 18.639 -15.932 419 H SER 60 H SER 60 -11.217 14.953 -13.512 420 HA SER 60 HA SER 60 -9.282 14.188 -15.594 421 HB2 SER 60 1HB SER 60 -8.217 13.849 -13.426 422 HB3 SER 60 2HB SER 60 -9.604 12.915 -12.864 423 HG SER 60 HG SER 60 -7.920 12.217 -15.042 424 H SER 61 H SER 61 -10.811 13.668 -17.113 425 HA SER 61 HA SER 61 -12.926 11.784 -16.393 426 HB2 SER 61 1HB SER 61 -13.884 12.287 -18.571 427 HB3 SER 61 2HB SER 61 -13.492 13.795 -17.745 428 HG SER 61 HG SER 61 -11.538 13.830 -18.989 429 H CYS 62 H CYS 62 -10.997 12.056 -19.364 430 HA CYS 62 HA CYS 62 -10.266 9.220 -19.077 431 HB2 CYS 62 1HB CYS 62 -12.160 9.504 -20.679 432 HB3 CYS 62 2HB CYS 62 -11.124 10.534 -21.663 433 HA PRO 63 HA PRO 63 -6.247 11.051 -19.707 434 HB2 PRO 63 1HB PRO 63 -4.859 8.731 -19.464 435 HB3 PRO 63 2HB PRO 63 -5.505 9.614 -18.076 436 HG2 PRO 63 1HG PRO 63 -6.624 7.224 -19.488 437 HG3 PRO 63 2HG PRO 63 -6.517 7.546 -17.748 438 HD2 PRO 63 1HD PRO 63 -8.803 7.895 -19.156 439 HD3 PRO 63 2HD PRO 63 -8.380 8.903 -17.757 440 H VAL 64 H VAL 64 -8.080 9.454 -21.834 441 HA VAL 64 HA VAL 64 -5.896 9.101 -23.782 442 HB VAL 64 HB VAL 64 -8.617 7.788 -23.753 443 HG11 VAL 64 1HG1 VAL 64 -8.114 6.758 -25.772 444 HG12 VAL 64 2HG1 VAL 64 -7.514 8.400 -26.011 445 HG13 VAL 64 3HG1 VAL 64 -6.389 7.096 -25.630 446 HG21 VAL 64 3HG2 VAL 64 -5.868 6.611 -23.348 447 HG22 VAL 64 1HG2 VAL 64 -7.066 6.885 -22.083 448 HG23 VAL 64 2HG2 VAL 64 -7.389 5.719 -23.366 449 H CYS 65 H CYS 65 -9.176 10.324 -23.298 450 HA CYS 65 HA CYS 65 -8.790 12.056 -25.648 451 HB2 CYS 65 1HB CYS 65 -11.226 11.889 -26.081 452 HB3 CYS 65 2HB CYS 65 -10.401 10.342 -26.247 453 H ARG 66 H ARG 66 -9.790 11.699 -22.370 454 HA ARG 66 HA ARG 66 -10.445 13.173 -20.765 455 HB2 ARG 66 1HB ARG 66 -8.962 14.999 -22.649 456 HB3 ARG 66 2HB ARG 66 -9.635 15.568 -21.127 457 HG2 ARG 66 1HG ARG 66 -7.660 13.310 -21.354 458 HG3 ARG 66 2HG ARG 66 -7.222 14.989 -21.033 459 HD2 ARG 66 1HD ARG 66 -9.056 13.304 -19.331 460 HD3 ARG 66 2HD ARG 66 -7.361 13.639 -18.978 461 HE ARG 66 HE ARG 66 -9.589 15.381 -18.541 462 HH11 ARG 66 1HH1 ARG 66 -6.172 15.262 -19.194 463 HH12 ARG 66 2HH1 ARG 66 -5.851 16.812 -18.490 464 HH21 ARG 66 1HH2 ARG 66 -9.180 17.423 -17.611 465 HH22 ARG 66 2HH2 ARG 66 -7.562 18.040 -17.588 466 H ILE 67 H ILE 67 -12.477 12.493 -22.451 467 HA ILE 67 HA ILE 67 -13.818 14.804 -23.495 468 HB ILE 67 HB ILE 67 -14.089 12.417 -24.335 469 HG12 ILE 67 1HG1 ILE 67 -16.790 13.535 -23.735 470 HG13 ILE 67 2HG1 ILE 67 -15.657 14.542 -24.628 471 HG21 ILE 67 1HG2 ILE 67 -15.966 11.173 -23.188 472 HG22 ILE 67 2HG2 ILE 67 -14.425 11.207 -22.332 473 HG23 ILE 67 3HG2 ILE 67 -15.739 12.268 -21.825 474 HD11 ILE 67 3HD1 ILE 67 -17.214 13.209 -26.037 475 HD12 ILE 67 1HD1 ILE 67 -15.505 12.942 -26.381 476 HD13 ILE 67 2HD1 ILE 67 -16.413 11.752 -25.448 477 H SER 68 H SER 68 -15.785 15.700 -22.734 478 HA SER 68 HA SER 68 -15.876 16.012 -19.896 479 HB2 SER 68 1HB SER 68 -17.363 17.140 -22.223 480 HB3 SER 68 2HB SER 68 -18.113 17.257 -20.631 481 HG SER 68 HG SER 68 -16.162 18.265 -19.910 482 H TYR 69 H TYR 69 -16.348 13.996 -19.016 483 HA TYR 69 HA TYR 69 -19.170 13.282 -19.107 484 HB2 TYR 69 1HB TYR 69 -18.922 11.108 -19.825 485 HB3 TYR 69 2HB TYR 69 -17.667 11.895 -20.776 486 HD1 TYR 69 2HD TYR 69 -15.275 11.786 -19.934 487 HD2 TYR 69 1HD TYR 69 -18.391 9.377 -18.324 488 HE1 TYR 69 2HE TYR 69 -13.597 10.253 -18.995 489 HE2 TYR 69 1HE TYR 69 -16.721 7.838 -17.380 490 HH TYR 69 HH TYR 69 -13.268 8.532 -17.571 491 H GLN 70 H GLN 70 -19.829 13.210 -17.074 492 HA GLN 70 HA GLN 70 -18.358 13.418 -14.804 493 HB2 GLN 70 1HB GLN 70 -20.924 11.846 -15.097 494 HB3 GLN 70 2HB GLN 70 -20.268 12.451 -13.582 495 HG2 GLN 70 1HG GLN 70 -20.417 14.762 -14.595 496 HG3 GLN 70 2HG GLN 70 -21.367 14.028 -15.886 497 HE21 GLN 70 1HE2 GLN 70 -21.665 15.757 -13.201 498 HE22 GLN 70 2HE2 GLN 70 -23.200 15.211 -12.627 499 HA PRO 71 HA PRO 71 -16.165 9.486 -14.948 500 HB2 PRO 71 1HB PRO 71 -14.363 10.170 -13.036 501 HB3 PRO 71 2HB PRO 71 -14.223 10.692 -14.719 502 HG2 PRO 71 1HG PRO 71 -15.279 12.191 -12.352 503 HG3 PRO 71 2HG PRO 71 -14.213 12.758 -13.651 504 HD2 PRO 71 1HD PRO 71 -16.867 13.294 -13.604 505 HD3 PRO 71 2HD PRO 71 -15.963 13.078 -15.117 506 H GLU 72 H GLU 72 -18.466 10.498 -12.987 507 HA GLU 72 HA GLU 72 -17.883 8.557 -10.850 508 HB2 GLU 72 1HB GLU 72 -19.452 11.104 -10.904 509 HB3 GLU 72 2HB GLU 72 -19.891 9.851 -9.753 510 HG2 GLU 72 1HG GLU 72 -17.807 9.967 -8.670 511 HG3 GLU 72 2HG GLU 72 -17.093 10.907 -9.978 512 H ASN 73 H ASN 73 -20.285 9.630 -13.188 513 HA ASN 73 HA ASN 73 -22.129 7.516 -12.443 514 HB2 ASN 73 1HB ASN 73 -22.439 9.271 -14.862 515 HB3 ASN 73 2HB ASN 73 -23.688 8.541 -13.858 516 HD21 ASN 73 1HD2 ASN 73 -24.688 9.857 -12.529 517 HD22 ASN 73 2HD2 ASN 73 -24.068 11.344 -11.905 518 H ILE 74 H ILE 74 -20.142 6.056 -13.010 519 HA ILE 74 HA ILE 74 -20.386 5.258 -15.838 520 HB ILE 74 HB ILE 74 -18.030 4.629 -14.069 521 HG12 ILE 74 1HG1 ILE 74 -18.121 6.822 -16.138 522 HG13 ILE 74 2HG1 ILE 74 -18.436 7.124 -14.433 523 HG21 ILE 74 1HG2 ILE 74 -16.987 3.827 -15.960 524 HG22 ILE 74 2HG2 ILE 74 -18.659 3.349 -16.249 525 HG23 ILE 74 3HG2 ILE 74 -17.999 4.774 -17.050 526 HD11 ILE 74 3HD1 ILE 74 -15.939 6.886 -15.809 527 HD12 ILE 74 1HD1 ILE 74 -16.262 7.395 -14.152 528 HD13 ILE 74 2HD1 ILE 74 -16.041 5.684 -14.523 529 H ARG 75 H ARG 75 -20.530 3.055 -16.324 530 HA ARG 75 HA ARG 75 -20.785 1.175 -14.104 531 HB2 ARG 75 1HB ARG 75 -22.951 0.421 -14.701 532 HB3 ARG 75 2HB ARG 75 -23.052 2.175 -14.634 533 HG2 ARG 75 1HG ARG 75 -22.749 2.197 -17.120 534 HG3 ARG 75 2HG ARG 75 -22.910 0.440 -17.085 535 HD2 ARG 75 1HD ARG 75 -25.131 0.587 -16.229 536 HD3 ARG 75 2HD ARG 75 -24.970 2.320 -15.951 537 HE ARG 75 HE ARG 75 -24.652 1.505 -18.701 538 HH11 ARG 75 1HH1 ARG 75 -26.868 2.541 -16.224 539 HH12 ARG 75 2HH1 ARG 75 -28.054 3.122 -17.345 540 HH21 ARG 75 1HH2 ARG 75 -26.205 2.267 -20.187 541 HH22 ARG 75 2HH2 ARG 75 -27.676 2.965 -19.600 542 HA PRO 76 HA PRO 76 -18.622 -1.418 -16.937 543 HB2 PRO 76 1HB PRO 76 -19.069 -3.801 -15.716 544 HB3 PRO 76 2HB PRO 76 -17.936 -2.598 -15.089 545 HG2 PRO 76 1HG PRO 76 -20.752 -3.169 -14.247 546 HG3 PRO 76 2HG PRO 76 -19.327 -2.848 -13.241 547 HD2 PRO 76 1HD PRO 76 -21.189 -0.956 -13.776 548 HD3 PRO 76 2HD PRO 76 -19.473 -0.567 -13.543 549 H ASN 77 H ASN 77 -18.978 -2.996 -18.546 550 HA ASN 77 HA ASN 77 -21.467 -2.949 -19.797 551 HB2 ASN 77 1HB ASN 77 -19.437 -5.152 -20.166 552 HB3 ASN 77 2HB ASN 77 -20.579 -4.521 -21.350 553 HD21 ASN 77 1HD2 ASN 77 -17.449 -4.376 -20.180 554 HD22 ASN 77 2HD2 ASN 77 -16.931 -2.947 -21.002 555 H ARG 78 H ARG 78 -19.967 -5.574 -17.914 556 HA ARG 78 HA ARG 78 -22.610 -6.471 -17.097 557 HB2 ARG 78 1HB ARG 78 -22.273 -7.764 -19.111 558 HB3 ARG 78 2HB ARG 78 -20.663 -8.237 -18.586 559 HG2 ARG 78 1HG ARG 78 -22.127 -10.084 -18.251 560 HG3 ARG 78 2HG ARG 78 -21.710 -9.427 -16.667 561 HD2 ARG 78 1HD ARG 78 -23.992 -9.742 -16.479 562 HD3 ARG 78 2HD ARG 78 -23.887 -8.046 -16.950 563 HE ARG 78 HE ARG 78 -24.151 -9.788 -19.199 564 HH11 ARG 78 1HH1 ARG 78 -25.907 -8.168 -16.668 565 HH12 ARG 78 2HH1 ARG 78 -27.399 -8.129 -17.548 566 HH21 ARG 78 1HH2 ARG 78 -26.108 -9.743 -20.369 567 HH22 ARG 78 2HH2 ARG 78 -27.512 -9.026 -19.653 568 H HIS 79 H HIS 79 -22.602 -7.047 -15.019 569 HA HIS 79 HA HIS 79 -20.010 -7.690 -13.770 570 HB2 HIS 79 1HB HIS 79 -21.281 -5.478 -13.173 571 HB3 HIS 79 2HB HIS 79 -22.299 -6.544 -12.209 572 HD2 HIS 79 2HD HIS 79 -21.409 -6.606 -9.670 573 HE1 HIS 79 1HE HIS 79 -17.271 -6.086 -10.449 574 HE2 HIS 79 2HE HIS 79 -19.022 -6.477 -8.681 575 H VAL 80 H VAL 80 -19.908 -9.779 -13.296 576 HA VAL 80 HA VAL 80 -22.367 -11.163 -12.454 577 HB VAL 80 HB VAL 80 -19.820 -12.366 -13.549 578 HG11 VAL 80 1HG1 VAL 80 -22.372 -13.525 -12.519 579 HG12 VAL 80 2HG1 VAL 80 -21.494 -14.352 -13.807 580 HG13 VAL 80 3HG1 VAL 80 -20.710 -14.053 -12.255 581 HG21 VAL 80 3HG2 VAL 80 -20.642 -12.171 -15.615 582 HG22 VAL 80 1HG2 VAL 80 -22.241 -12.721 -15.112 583 HG23 VAL 80 2HG2 VAL 80 -21.798 -11.023 -14.940 584 H ALA 81 H ALA 81 -22.509 -11.986 -10.460 585 HA ALA 81 HA ALA 81 -20.190 -11.706 -8.694 586 HB1 ALA 81 3HB ALA 81 -21.624 -11.348 -6.978 587 HB2 ALA 81 1HB ALA 81 -22.702 -10.883 -8.295 588 HB3 ALA 81 2HB ALA 81 -22.817 -12.496 -7.588 589 H ASN 82 H ASN 82 -19.799 -13.779 -10.353 590 HA ASN 82 HA ASN 82 -19.885 -16.042 -8.535 591 HB2 ASN 82 1HB ASN 82 -21.959 -16.054 -10.087 592 HB3 ASN 82 2HB ASN 82 -20.821 -16.493 -11.357 593 HD21 ASN 82 1HD2 ASN 82 -22.006 -18.462 -11.542 594 HD22 ASN 82 2HD2 ASN 82 -21.719 -19.758 -10.436 595 H ILE 83 H ILE 83 -18.015 -17.114 -8.585 596 HA ILE 83 HA ILE 83 -15.892 -16.282 -10.260 597 HB ILE 83 HB ILE 83 -16.090 -18.758 -8.542 598 HG12 ILE 83 1HG1 ILE 83 -16.395 -16.687 -7.265 599 HG13 ILE 83 2HG1 ILE 83 -14.849 -17.435 -6.883 600 HG21 ILE 83 1HG2 ILE 83 -14.287 -19.229 -9.884 601 HG22 ILE 83 2HG2 ILE 83 -13.867 -17.530 -10.101 602 HG23 ILE 83 3HG2 ILE 83 -13.504 -18.341 -8.577 603 HD11 ILE 83 3HD1 ILE 83 -14.322 -15.197 -7.070 604 HD12 ILE 83 1HD1 ILE 83 -13.896 -15.830 -8.659 605 HD13 ILE 83 2HD1 ILE 83 -15.408 -14.949 -8.436 606 H VAL 84 H VAL 84 -15.805 -16.696 -12.367 607 HA VAL 84 HA VAL 84 -16.583 -19.383 -13.301 608 HB VAL 84 HB VAL 84 -18.056 -17.639 -14.193 609 HG11 VAL 84 1HG1 VAL 84 -16.222 -16.385 -16.015 610 HG12 VAL 84 2HG1 VAL 84 -17.316 -15.647 -14.842 611 HG13 VAL 84 3HG1 VAL 84 -15.695 -16.139 -14.350 612 HG21 VAL 84 3HG2 VAL 84 -17.944 -18.270 -16.494 613 HG22 VAL 84 1HG2 VAL 84 -16.227 -18.652 -16.363 614 HG23 VAL 84 2HG2 VAL 84 -17.420 -19.655 -15.537 615 H GLU 85 H GLU 85 -15.340 -20.315 -15.003 616 HA GLU 85 HA GLU 85 -12.866 -19.071 -15.810 617 HB2 GLU 85 1HB GLU 85 -12.410 -20.083 -13.535 618 HB3 GLU 85 2HB GLU 85 -12.703 -21.656 -14.263 619 HG2 GLU 85 1HG GLU 85 -10.295 -20.945 -14.056 620 HG3 GLU 85 2HG GLU 85 -10.817 -21.488 -15.649 Start of MODEL 20 1 H1 GLY 1 H GLY 1 5.359 -9.248 13.650 2 HA2 GLY 1 1HA GLY 1 3.591 -10.752 12.440 3 HA3 GLY 1 2HA GLY 1 3.369 -9.286 11.497 4 H SER 2 H SER 2 4.322 -11.965 10.699 5 HA SER 2 HA SER 2 6.634 -11.067 9.197 6 HB2 SER 2 1HB SER 2 7.376 -12.173 11.439 7 HB3 SER 2 2HB SER 2 6.917 -13.682 10.650 8 HG SER 2 HG SER 2 8.324 -12.650 8.855 9 H SER 3 H SER 3 6.995 -12.249 7.307 10 HA SER 3 HA SER 3 5.275 -14.530 6.738 11 HB2 SER 3 1HB SER 3 5.004 -11.842 5.471 12 HB3 SER 3 2HB SER 3 4.792 -13.264 4.450 13 HG SER 3 HG SER 3 2.848 -12.440 5.507 14 H GLY 4 H GLY 4 6.541 -16.031 5.880 15 HA2 GLY 4 1HA GLY 4 8.952 -15.183 4.425 16 HA3 GLY 4 2HA GLY 4 8.705 -16.758 5.165 17 H SER 5 H SER 5 9.231 -15.554 2.318 18 HA SER 5 HA SER 5 7.987 -17.685 0.907 19 HB2 SER 5 1HB SER 5 6.712 -14.989 0.840 20 HB3 SER 5 2HB SER 5 6.788 -15.904 -0.665 21 HG SER 5 HG SER 5 5.030 -16.179 1.234 22 H SER 6 H SER 6 9.368 -18.211 -0.644 23 HA SER 6 HA SER 6 11.423 -16.331 -1.444 24 HB2 SER 6 1HB SER 6 11.948 -18.716 -0.925 25 HB3 SER 6 2HB SER 6 11.012 -19.193 -2.341 26 HG SER 6 HG SER 6 12.529 -17.613 -3.446 27 H GLY 7 H GLY 7 8.917 -15.496 -2.293 28 HA2 GLY 7 1HA GLY 7 8.257 -14.422 -4.269 29 HA3 GLY 7 2HA GLY 7 9.352 -15.458 -5.172 30 H MET 8 H MET 8 6.585 -14.798 -5.766 31 HA MET 8 HA MET 8 5.086 -17.218 -5.215 32 HB2 MET 8 1HB MET 8 4.496 -14.573 -6.448 33 HB3 MET 8 2HB MET 8 3.487 -15.934 -6.917 34 HG2 MET 8 1HG MET 8 2.301 -15.090 -5.157 35 HG3 MET 8 2HG MET 8 3.286 -16.307 -4.348 36 HE1 MET 8 3HE MET 8 2.620 -12.300 -4.556 37 HE2 MET 8 1HE MET 8 4.318 -11.837 -4.441 38 HE3 MET 8 2HE MET 8 3.765 -12.831 -5.789 39 H ALA 9 H ALA 9 5.134 -18.965 -6.456 40 HA ALA 9 HA ALA 9 6.528 -18.924 -8.984 41 HB1 ALA 9 3HB ALA 9 6.895 -20.786 -7.489 42 HB2 ALA 9 1HB ALA 9 5.174 -21.174 -7.501 43 HB3 ALA 9 2HB ALA 9 6.131 -21.360 -8.972 44 H SER 10 H SER 10 4.354 -17.305 -9.230 45 HA SER 10 HA SER 10 1.917 -18.214 -9.976 46 HB2 SER 10 1HB SER 10 1.853 -16.357 -11.651 47 HB3 SER 10 2HB SER 10 2.447 -15.855 -10.068 48 HG SER 10 HG SER 10 4.597 -16.159 -10.959 49 H GLY 11 H GLY 11 1.316 -19.862 -11.208 50 HA2 GLY 11 1HA GLY 11 3.054 -20.939 -13.238 51 HA3 GLY 11 2HA GLY 11 1.466 -21.546 -12.792 52 H ILE 12 H ILE 12 2.555 -18.389 -14.025 53 HA ILE 12 HA ILE 12 0.405 -18.485 -15.999 54 HB ILE 12 HB ILE 12 0.890 -16.118 -16.392 55 HG12 ILE 12 1HG1 ILE 12 2.516 -15.181 -14.475 56 HG13 ILE 12 2HG1 ILE 12 3.250 -16.765 -14.701 57 HG21 ILE 12 1HG2 ILE 12 -0.090 -15.319 -14.446 58 HG22 ILE 12 2HG2 ILE 12 -0.538 -17.023 -14.441 59 HG23 ILE 12 3HG2 ILE 12 0.783 -16.457 -13.420 60 HD11 ILE 12 3HD1 ILE 12 2.712 -15.426 -17.216 61 HD12 ILE 12 1HD1 ILE 12 3.777 -14.497 -16.161 62 HD13 ILE 12 2HD1 ILE 12 4.201 -16.149 -16.610 63 H LEU 13 H LEU 13 0.721 -18.686 -18.139 64 HA LEU 13 HA LEU 13 3.502 -18.901 -19.077 65 HB2 LEU 13 1HB LEU 13 0.987 -20.135 -20.190 66 HB3 LEU 13 2HB LEU 13 2.594 -20.299 -20.893 67 HG LEU 13 HG LEU 13 1.705 -21.365 -18.214 68 HD11 LEU 13 1HD1 LEU 13 0.756 -22.697 -19.927 69 HD12 LEU 13 2HD1 LEU 13 2.178 -23.561 -19.344 70 HD13 LEU 13 3HD1 LEU 13 2.248 -22.675 -20.867 71 HD21 LEU 13 3HD2 LEU 13 4.022 -20.712 -18.107 72 HD22 LEU 13 1HD2 LEU 13 4.360 -21.528 -19.633 73 HD23 LEU 13 2HD2 LEU 13 3.919 -22.471 -18.209 74 H VAL 14 H VAL 14 4.199 -17.695 -20.762 75 HA VAL 14 HA VAL 14 2.839 -15.338 -21.455 76 HB VAL 14 HB VAL 14 5.105 -16.691 -22.926 77 HG11 VAL 14 1HG1 VAL 14 5.369 -14.832 -24.213 78 HG12 VAL 14 2HG1 VAL 14 3.621 -14.757 -23.980 79 HG13 VAL 14 3HG1 VAL 14 4.687 -13.755 -22.995 80 HG21 VAL 14 3HG2 VAL 14 6.314 -16.176 -21.128 81 HG22 VAL 14 1HG2 VAL 14 6.052 -14.478 -21.527 82 HG23 VAL 14 2HG2 VAL 14 4.971 -15.296 -20.400 83 H ASN 15 H ASN 15 0.841 -15.602 -22.343 84 HA ASN 15 HA ASN 15 0.420 -17.436 -24.540 85 HB2 ASN 15 1HB ASN 15 -1.302 -15.685 -22.853 86 HB3 ASN 15 2HB ASN 15 -1.898 -16.120 -24.452 87 HD21 ASN 15 1HD2 ASN 15 -3.478 -17.510 -23.943 88 HD22 ASN 15 2HD2 ASN 15 -3.247 -18.985 -23.073 89 H VAL 16 H VAL 16 -0.993 -16.452 -26.410 90 HA VAL 16 HA VAL 16 0.684 -14.781 -27.920 91 HB VAL 16 HB VAL 16 -1.090 -14.703 -29.571 92 HG11 VAL 16 1HG1 VAL 16 0.194 -16.743 -29.477 93 HG12 VAL 16 2HG1 VAL 16 -0.862 -17.390 -28.220 94 HG13 VAL 16 3HG1 VAL 16 -1.486 -17.130 -29.849 95 HG21 VAL 16 3HG2 VAL 16 -3.308 -15.247 -29.193 96 HG22 VAL 16 1HG2 VAL 16 -2.939 -16.178 -27.741 97 HG23 VAL 16 2HG2 VAL 16 -2.872 -14.416 -27.700 98 H LYS 17 H LYS 17 0.073 -12.682 -28.882 99 HA LYS 17 HA LYS 17 -0.035 -10.599 -27.234 100 HB2 LYS 17 1HB LYS 17 -1.003 -9.243 -28.997 101 HB3 LYS 17 2HB LYS 17 0.108 -10.415 -29.695 102 HG2 LYS 17 1HG LYS 17 -2.761 -11.154 -29.534 103 HG3 LYS 17 2HG LYS 17 -2.278 -9.949 -30.730 104 HD2 LYS 17 1HD LYS 17 -1.008 -12.670 -30.438 105 HD3 LYS 17 2HD LYS 17 -2.282 -12.282 -31.596 106 HE2 LYS 17 1HE LYS 17 -0.741 -10.446 -32.440 107 HE3 LYS 17 2HE LYS 17 0.525 -11.209 -31.480 108 HZ1 LYS 17 3HZ LYS 17 0.255 -13.227 -32.735 109 HZ2 LYS 17 1HZ LYS 17 0.521 -11.944 -33.805 110 HZ3 LYS 17 2HZ LYS 17 -1.037 -12.570 -33.607 111 H GLU 18 H GLU 18 -1.481 -9.387 -26.069 112 HA GLU 18 HA GLU 18 -3.871 -10.726 -25.217 113 HB2 GLU 18 1HB GLU 18 -2.938 -7.938 -24.519 114 HB3 GLU 18 2HB GLU 18 -4.114 -8.906 -23.642 115 HG2 GLU 18 1HG GLU 18 -2.168 -9.082 -22.384 116 HG3 GLU 18 2HG GLU 18 -2.226 -10.585 -23.304 117 H GLU 19 H GLU 19 -5.966 -10.246 -25.664 118 HA GLU 19 HA GLU 19 -6.518 -8.789 -28.055 119 HB2 GLU 19 1HB GLU 19 -8.854 -9.382 -27.638 120 HB3 GLU 19 2HB GLU 19 -7.805 -10.778 -27.442 121 HG2 GLU 19 1HG GLU 19 -8.534 -9.153 -25.055 122 HG3 GLU 19 2HG GLU 19 -9.703 -10.289 -25.726 123 H VAL 20 H VAL 20 -6.794 -8.127 -24.628 124 HA VAL 20 HA VAL 20 -7.446 -5.340 -25.273 125 HB VAL 20 HB VAL 20 -8.812 -6.940 -23.103 126 HG11 VAL 20 1HG1 VAL 20 -8.217 -4.310 -22.978 127 HG12 VAL 20 2HG1 VAL 20 -9.772 -4.248 -23.809 128 HG13 VAL 20 3HG1 VAL 20 -9.642 -5.033 -22.235 129 HG21 VAL 20 3HG2 VAL 20 -9.934 -5.732 -25.631 130 HG22 VAL 20 1HG2 VAL 20 -9.646 -7.450 -25.352 131 HG23 VAL 20 2HG2 VAL 20 -10.850 -6.589 -24.391 132 H THR 21 H THR 21 -5.800 -4.179 -24.539 133 HA THR 21 HA THR 21 -4.559 -4.952 -21.980 134 HB THR 21 HB THR 21 -3.211 -3.278 -24.092 135 HG1 THR 21 1HG THR 21 -3.647 -6.010 -24.021 136 HG21 THR 21 3HG2 THR 21 -1.170 -4.114 -22.935 137 HG22 THR 21 1HG2 THR 21 -2.212 -4.883 -21.738 138 HG23 THR 21 2HG2 THR 21 -2.209 -3.128 -21.906 139 H CYS 22 H CYS 22 -3.730 -3.186 -20.656 140 HA CYS 22 HA CYS 22 -5.604 -0.968 -20.618 141 HB2 CYS 22 1HB CYS 22 -5.106 -2.168 -18.531 142 HB3 CYS 22 2HB CYS 22 -3.409 -1.720 -18.676 143 HA PRO 23 HA PRO 23 -2.754 1.715 -22.718 144 HB2 PRO 23 1HB PRO 23 -4.205 3.989 -22.415 145 HB3 PRO 23 2HB PRO 23 -4.614 2.738 -23.595 146 HG2 PRO 23 1HG PRO 23 -5.779 3.238 -20.883 147 HG3 PRO 23 2HG PRO 23 -6.606 2.835 -22.399 148 HD2 PRO 23 1HD PRO 23 -6.109 0.994 -20.476 149 HD3 PRO 23 2HD PRO 23 -6.136 0.587 -22.204 150 H ILE 24 H ILE 24 -3.334 1.522 -19.464 151 HA ILE 24 HA ILE 24 -1.686 3.873 -18.829 152 HB ILE 24 HB ILE 24 -3.612 2.261 -17.179 153 HG12 ILE 24 1HG1 ILE 24 -3.455 5.237 -17.198 154 HG13 ILE 24 2HG1 ILE 24 -4.068 4.441 -18.644 155 HG21 ILE 24 1HG2 ILE 24 -1.585 4.238 -16.143 156 HG22 ILE 24 2HG2 ILE 24 -2.882 3.501 -15.203 157 HG23 ILE 24 3HG2 ILE 24 -1.583 2.499 -15.849 158 HD11 ILE 24 3HD1 ILE 24 -6.016 4.743 -17.530 159 HD12 ILE 24 1HD1 ILE 24 -5.557 3.177 -16.861 160 HD13 ILE 24 2HD1 ILE 24 -5.254 4.652 -15.942 161 H CYS 25 H CYS 25 -2.147 0.663 -17.345 162 HA CYS 25 HA CYS 25 0.630 0.572 -16.572 163 HB2 CYS 25 1HB CYS 25 0.008 -1.646 -15.605 164 HB3 CYS 25 2HB CYS 25 -0.990 -0.317 -15.025 165 H LEU 26 H LEU 26 -1.155 -0.322 -19.299 166 HA LEU 26 HA LEU 26 -0.633 -1.434 -21.211 167 HB2 LEU 26 1HB LEU 26 2.175 -1.485 -20.119 168 HB3 LEU 26 2HB LEU 26 1.691 -1.710 -21.799 169 HG LEU 26 HG LEU 26 1.630 0.831 -20.184 170 HD11 LEU 26 1HD1 LEU 26 2.852 1.192 -22.662 171 HD12 LEU 26 2HD1 LEU 26 3.452 -0.357 -22.072 172 HD13 LEU 26 3HD1 LEU 26 3.639 1.094 -21.087 173 HD21 LEU 26 3HD2 LEU 26 -0.310 1.133 -21.359 174 HD22 LEU 26 1HD2 LEU 26 0.196 0.081 -22.682 175 HD23 LEU 26 2HD2 LEU 26 0.864 1.708 -22.544 176 H GLU 27 H GLU 27 -1.527 -2.914 -18.939 177 HA GLU 27 HA GLU 27 -0.179 -5.493 -19.405 178 HB2 GLU 27 1HB GLU 27 -1.711 -4.628 -16.946 179 HB3 GLU 27 2HB GLU 27 -0.911 -6.177 -17.175 180 HG2 GLU 27 1HG GLU 27 0.697 -3.689 -17.423 181 HG3 GLU 27 2HG GLU 27 0.224 -4.244 -15.819 182 H LEU 28 H LEU 28 -1.638 -7.404 -19.101 183 HA LEU 28 HA LEU 28 -3.777 -7.311 -20.886 184 HB2 LEU 28 1HB LEU 28 -2.696 -9.384 -20.453 185 HB3 LEU 28 2HB LEU 28 -3.065 -9.286 -18.732 186 HG LEU 28 HG LEU 28 -5.313 -9.865 -19.067 187 HD11 LEU 28 1HD1 LEU 28 -5.028 -9.699 -22.048 188 HD12 LEU 28 2HD1 LEU 28 -5.514 -8.306 -21.083 189 HD13 LEU 28 3HD1 LEU 28 -6.499 -9.769 -21.077 190 HD21 LEU 28 3HD2 LEU 28 -5.165 -12.007 -19.936 191 HD22 LEU 28 1HD2 LEU 28 -3.486 -11.641 -19.538 192 HD23 LEU 28 2HD2 LEU 28 -4.041 -11.525 -21.208 193 H LEU 29 H LEU 29 -5.485 -6.018 -20.569 194 HA LEU 29 HA LEU 29 -6.557 -5.320 -18.059 195 HB2 LEU 29 1HB LEU 29 -7.347 -4.997 -20.890 196 HB3 LEU 29 2HB LEU 29 -8.632 -4.851 -19.692 197 HG LEU 29 HG LEU 29 -6.146 -3.157 -19.909 198 HD11 LEU 29 1HD1 LEU 29 -7.555 -1.409 -20.551 199 HD12 LEU 29 2HD1 LEU 29 -9.006 -2.261 -20.024 200 HD13 LEU 29 3HD1 LEU 29 -8.144 -2.798 -21.466 201 HD21 LEU 29 3HD2 LEU 29 -8.240 -3.349 -17.766 202 HD22 LEU 29 1HD2 LEU 29 -7.320 -1.870 -18.038 203 HD23 LEU 29 2HD2 LEU 29 -6.484 -3.360 -17.601 204 H THR 30 H THR 30 -7.394 -6.769 -16.705 205 HA THR 30 HA THR 30 -9.072 -8.927 -17.780 206 HB THR 30 HB THR 30 -8.011 -8.713 -14.962 207 HG1 THR 30 1HG THR 30 -6.469 -8.900 -16.945 208 HG21 THR 30 3HG2 THR 30 -9.930 -10.244 -15.404 209 HG22 THR 30 1HG2 THR 30 -8.477 -11.070 -14.842 210 HG23 THR 30 2HG2 THR 30 -8.912 -11.116 -16.551 211 H GLN 31 H GLN 31 -11.127 -8.239 -17.928 212 HA GLN 31 HA GLN 31 -13.199 -7.534 -17.312 213 HB2 GLN 31 1HB GLN 31 -11.995 -8.172 -14.635 214 HB3 GLN 31 2HB GLN 31 -13.609 -7.484 -14.753 215 HG2 GLN 31 1HG GLN 31 -14.168 -9.397 -16.306 216 HG3 GLN 31 2HG GLN 31 -12.636 -10.117 -15.814 217 HE21 GLN 31 1HE2 GLN 31 -12.476 -11.096 -13.863 218 HE22 GLN 31 2HE2 GLN 31 -13.796 -11.282 -12.764 219 HA PRO 32 HA PRO 32 -11.263 -3.323 -16.391 220 HB2 PRO 32 1HB PRO 32 -11.537 -2.291 -18.887 221 HB3 PRO 32 2HB PRO 32 -10.099 -3.176 -18.366 222 HG2 PRO 32 1HG PRO 32 -12.437 -4.138 -19.969 223 HG3 PRO 32 2HG PRO 32 -10.709 -4.447 -20.216 224 HD2 PRO 32 1HD PRO 32 -12.358 -6.248 -19.045 225 HD3 PRO 32 2HD PRO 32 -10.645 -6.095 -18.606 226 H LEU 33 H LEU 33 -12.365 -1.139 -17.209 227 HA LEU 33 HA LEU 33 -15.244 -1.503 -16.757 228 HB2 LEU 33 1HB LEU 33 -13.617 1.013 -16.447 229 HB3 LEU 33 2HB LEU 33 -15.280 0.750 -15.926 230 HG LEU 33 HG LEU 33 -12.834 -0.580 -14.762 231 HD11 LEU 33 1HD1 LEU 33 -14.389 1.842 -14.055 232 HD12 LEU 33 2HD1 LEU 33 -12.672 1.493 -13.850 233 HD13 LEU 33 3HD1 LEU 33 -13.852 0.801 -12.736 234 HD21 LEU 33 3HD2 LEU 33 -15.214 -0.724 -13.165 235 HD22 LEU 33 1HD2 LEU 33 -14.186 -2.027 -13.760 236 HD23 LEU 33 2HD2 LEU 33 -15.509 -1.423 -14.758 237 H SER 34 H SER 34 -16.664 0.173 -17.792 238 HA SER 34 HA SER 34 -15.740 0.705 -20.540 239 HB2 SER 34 1HB SER 34 -17.510 -0.995 -20.459 240 HB3 SER 34 2HB SER 34 -18.553 0.123 -19.579 241 HG SER 34 HG SER 34 -17.895 0.046 -22.267 242 H LEU 35 H LEU 35 -16.329 2.655 -21.520 243 HA LEU 35 HA LEU 35 -17.471 4.695 -19.732 244 HB2 LEU 35 1HB LEU 35 -15.139 5.064 -21.608 245 HB3 LEU 35 2HB LEU 35 -15.892 6.330 -20.639 246 HG LEU 35 HG LEU 35 -14.554 3.921 -19.425 247 HD11 LEU 35 1HD1 LEU 35 -12.746 4.872 -20.487 248 HD12 LEU 35 2HD1 LEU 35 -12.740 5.724 -18.943 249 HD13 LEU 35 3HD1 LEU 35 -13.403 6.506 -20.378 250 HD21 LEU 35 3HD2 LEU 35 -16.124 5.090 -17.984 251 HD22 LEU 35 1HD2 LEU 35 -15.324 6.623 -18.327 252 HD23 LEU 35 2HD2 LEU 35 -14.468 5.361 -17.441 253 H ASP 36 H ASP 36 -18.007 6.744 -21.079 254 HA ASP 36 HA ASP 36 -19.677 5.853 -23.292 255 HB2 ASP 36 1HB ASP 36 -20.561 8.231 -23.150 256 HB3 ASP 36 2HB ASP 36 -20.832 7.222 -21.732 257 H CYS 37 H CYS 37 -16.731 6.099 -23.532 258 HA CYS 37 HA CYS 37 -16.657 8.056 -25.735 259 HB2 CYS 37 1HB CYS 37 -14.388 8.556 -25.249 260 HB3 CYS 37 2HB CYS 37 -15.229 8.599 -23.703 261 H GLY 38 H GLY 38 -15.436 4.951 -24.540 262 HA2 GLY 38 1HA GLY 38 -15.652 3.094 -26.183 263 HA3 GLY 38 2HA GLY 38 -14.924 4.189 -27.350 264 H HIS 39 H HIS 39 -13.999 3.629 -23.977 265 HA HIS 39 HA HIS 39 -11.642 2.145 -24.784 266 HB2 HIS 39 1HB HIS 39 -11.413 4.827 -23.402 267 HB3 HIS 39 2HB HIS 39 -10.082 3.704 -23.665 268 HD2 HIS 39 2HD HIS 39 -9.977 3.124 -26.691 269 HE1 HIS 39 1HE HIS 39 -10.765 7.231 -27.406 270 HE2 HIS 39 2HE HIS 39 -10.009 5.052 -28.416 271 H SER 40 H SER 40 -10.901 0.808 -23.207 272 HA SER 40 HA SER 40 -12.384 0.851 -20.673 273 HB2 SER 40 1HB SER 40 -10.710 -1.482 -21.507 274 HB3 SER 40 2HB SER 40 -12.213 -1.454 -20.586 275 HG SER 40 HG SER 40 -11.981 -2.000 -23.100 276 H PHE 41 H PHE 41 -11.192 0.134 -18.725 277 HA PHE 41 HA PHE 41 -8.326 0.427 -18.713 278 HB2 PHE 41 1HB PHE 41 -10.017 2.459 -17.242 279 HB3 PHE 41 2HB PHE 41 -8.262 2.338 -17.189 280 HD1 PHE 41 2HD PHE 41 -11.129 3.055 -19.412 281 HD2 PHE 41 1HD PHE 41 -6.926 3.370 -18.816 282 HE1 PHE 41 2HE PHE 41 -10.972 4.567 -21.346 283 HE2 PHE 41 1HE PHE 41 -6.762 4.883 -20.749 284 HZ PHE 41 HZ PHE 41 -8.786 5.482 -22.018 285 H CYS 42 H CYS 42 -7.654 0.610 -16.207 286 HA CYS 42 HA CYS 42 -8.874 -1.725 -14.982 287 HB2 CYS 42 1HB CYS 42 -6.444 -0.094 -14.219 288 HB3 CYS 42 2HB CYS 42 -6.983 -1.537 -13.366 289 H GLN 43 H GLN 43 -10.076 -1.739 -13.160 290 HA GLN 43 HA GLN 43 -11.543 0.438 -12.354 291 HB2 GLN 43 1HB GLN 43 -12.202 -1.801 -11.749 292 HB3 GLN 43 2HB GLN 43 -10.759 -2.009 -10.766 293 HG2 GLN 43 1HG GLN 43 -11.578 -0.764 -9.044 294 HG3 GLN 43 2HG GLN 43 -12.596 0.221 -10.094 295 HE21 GLN 43 1HE2 GLN 43 -12.426 -3.289 -9.978 296 HE22 GLN 43 2HE2 GLN 43 -14.049 -3.535 -9.442 297 H ALA 44 H ALA 44 -8.276 -0.243 -11.659 298 HA ALA 44 HA ALA 44 -8.238 1.615 -9.388 299 HB1 ALA 44 3HB ALA 44 -5.793 0.171 -10.269 300 HB2 ALA 44 1HB ALA 44 -6.329 0.605 -8.646 301 HB3 ALA 44 2HB ALA 44 -7.077 -0.752 -9.488 302 H CYS 45 H CYS 45 -6.360 0.958 -12.352 303 HA CYS 45 HA CYS 45 -4.774 3.179 -12.433 304 HB2 CYS 45 1HB CYS 45 -6.164 1.803 -14.739 305 HB3 CYS 45 2HB CYS 45 -4.863 2.974 -14.929 306 H LEU 46 H LEU 46 -8.181 2.954 -13.271 307 HA LEU 46 HA LEU 46 -8.431 5.515 -14.440 308 HB2 LEU 46 1HB LEU 46 -10.258 3.438 -13.408 309 HB3 LEU 46 2HB LEU 46 -10.904 5.076 -13.483 310 HG LEU 46 HG LEU 46 -9.611 3.864 -15.894 311 HD11 LEU 46 1HD1 LEU 46 -11.162 2.167 -15.289 312 HD12 LEU 46 2HD1 LEU 46 -11.902 3.116 -16.577 313 HD13 LEU 46 3HD1 LEU 46 -12.408 3.354 -14.904 314 HD21 LEU 46 3HD2 LEU 46 -10.096 6.167 -16.110 315 HD22 LEU 46 1HD2 LEU 46 -11.687 5.977 -15.373 316 HD23 LEU 46 2HD2 LEU 46 -11.375 5.316 -16.978 317 H THR 47 H THR 47 -9.070 4.340 -11.147 318 HA THR 47 HA THR 47 -9.919 6.795 -10.076 319 HB THR 47 HB THR 47 -8.549 4.521 -8.627 320 HG1 THR 47 1HG THR 47 -10.878 4.571 -9.863 321 HG21 THR 47 3HG2 THR 47 -8.572 6.526 -7.275 322 HG22 THR 47 1HG2 THR 47 -9.777 5.397 -6.657 323 HG23 THR 47 2HG2 THR 47 -10.281 6.782 -7.625 324 H ALA 48 H ALA 48 -6.715 5.340 -10.364 325 HA ALA 48 HA ALA 48 -5.361 7.327 -8.842 326 HB1 ALA 48 3HB ALA 48 -4.171 5.532 -10.948 327 HB2 ALA 48 1HB ALA 48 -3.338 6.314 -9.603 328 HB3 ALA 48 2HB ALA 48 -4.502 5.025 -9.291 329 H ASN 49 H ASN 49 -5.827 6.819 -12.326 330 HA ASN 49 HA ASN 49 -4.282 8.979 -13.218 331 HB2 ASN 49 1HB ASN 49 -5.128 7.146 -14.670 332 HB3 ASN 49 2HB ASN 49 -6.749 7.823 -14.535 333 HD21 ASN 49 1HD2 ASN 49 -7.003 8.294 -16.670 334 HD22 ASN 49 2HD2 ASN 49 -6.087 9.503 -17.495 335 H HIS 50 H HIS 50 -7.637 8.789 -12.173 336 HA HIS 50 HA HIS 50 -8.446 11.353 -13.007 337 HB2 HIS 50 1HB HIS 50 -9.458 9.699 -10.684 338 HB3 HIS 50 2HB HIS 50 -10.284 11.087 -11.385 339 HD2 HIS 50 2HD HIS 50 -9.179 9.452 -14.434 340 HE1 HIS 50 1HE HIS 50 -12.661 7.272 -13.377 341 HE2 HIS 50 2HE HIS 50 -10.951 7.718 -15.171 342 H LYS 51 H LYS 51 -7.523 10.246 -9.742 343 HA LYS 51 HA LYS 51 -7.546 12.667 -8.440 344 HB2 LYS 51 1HB LYS 51 -5.585 10.400 -8.036 345 HB3 LYS 51 2HB LYS 51 -5.894 11.693 -6.884 346 HG2 LYS 51 1HG LYS 51 -8.191 10.945 -6.630 347 HG3 LYS 51 2HG LYS 51 -7.922 9.674 -7.825 348 HD2 LYS 51 1HD LYS 51 -6.298 9.907 -5.302 349 HD3 LYS 51 2HD LYS 51 -7.796 8.978 -5.389 350 HE2 LYS 51 1HE LYS 51 -6.230 7.351 -5.827 351 HE3 LYS 51 2HE LYS 51 -6.650 7.872 -7.458 352 HZ1 LYS 51 3HZ LYS 51 -4.485 9.348 -6.239 353 HZ2 LYS 51 1HZ LYS 51 -4.616 8.707 -7.799 354 HZ3 LYS 51 2HZ LYS 51 -4.146 7.714 -6.513 355 H LYS 52 H LYS 52 -4.886 11.237 -10.301 356 HA LYS 52 HA LYS 52 -2.872 13.031 -9.831 357 HB2 LYS 52 1HB LYS 52 -2.300 11.221 -11.188 358 HB3 LYS 52 2HB LYS 52 -3.655 11.485 -12.279 359 HG2 LYS 52 1HG LYS 52 -1.715 12.098 -13.465 360 HG3 LYS 52 2HG LYS 52 -2.509 13.606 -13.005 361 HD2 LYS 52 1HD LYS 52 -0.442 12.468 -11.186 362 HD3 LYS 52 2HD LYS 52 0.085 13.265 -12.670 363 HE2 LYS 52 1HE LYS 52 -1.550 15.149 -11.885 364 HE3 LYS 52 2HE LYS 52 -1.339 14.401 -10.303 365 HZ1 LYS 52 3HZ LYS 52 1.158 14.761 -11.617 366 HZ2 LYS 52 1HZ LYS 52 0.654 15.321 -10.102 367 HZ3 LYS 52 2HZ LYS 52 0.328 16.230 -11.490 368 H SER 53 H SER 53 -5.155 13.284 -12.565 369 HA SER 53 HA SER 53 -4.425 16.050 -12.980 370 HB2 SER 53 1HB SER 53 -4.879 14.574 -14.903 371 HB3 SER 53 2HB SER 53 -6.540 14.366 -14.347 372 HG SER 53 HG SER 53 -5.657 16.979 -14.663 373 H MET 54 H MET 54 -5.717 15.290 -10.456 374 HA MET 54 HA MET 54 -8.277 16.712 -10.670 375 HB2 MET 54 1HB MET 54 -8.058 14.407 -9.542 376 HB3 MET 54 2HB MET 54 -7.281 15.272 -8.223 377 HG2 MET 54 1HG MET 54 -9.373 15.379 -7.424 378 HG3 MET 54 2HG MET 54 -9.489 16.766 -8.505 379 HE1 MET 54 3HE MET 54 -10.198 16.431 -11.087 380 HE2 MET 54 1HE MET 54 -9.409 14.874 -11.341 381 HE3 MET 54 2HE MET 54 -11.131 15.054 -11.675 382 H LEU 55 H LEU 55 -5.055 17.077 -9.632 383 HA LEU 55 HA LEU 55 -5.749 19.337 -7.890 384 HB2 LEU 55 1HB LEU 55 -3.089 17.974 -8.273 385 HB3 LEU 55 2HB LEU 55 -3.460 19.227 -7.091 386 HG LEU 55 HG LEU 55 -5.249 17.425 -6.309 387 HD11 LEU 55 1HD1 LEU 55 -3.151 15.463 -6.850 388 HD12 LEU 55 2HD1 LEU 55 -4.029 15.993 -8.285 389 HD13 LEU 55 3HD1 LEU 55 -4.906 15.302 -6.920 390 HD21 LEU 55 3HD2 LEU 55 -3.202 18.485 -5.138 391 HD22 LEU 55 1HD2 LEU 55 -2.396 16.965 -5.529 392 HD23 LEU 55 2HD2 LEU 55 -3.845 16.962 -4.523 393 H ASP 56 H ASP 56 -3.270 18.543 -10.333 394 HA ASP 56 HA ASP 56 -2.433 21.133 -10.859 395 HB2 ASP 56 1HB ASP 56 -1.347 19.019 -11.673 396 HB3 ASP 56 2HB ASP 56 -2.604 18.911 -12.901 397 H LYS 57 H LYS 57 -4.437 19.299 -13.157 398 HA LYS 57 HA LYS 57 -5.420 21.666 -14.395 399 HB2 LYS 57 1HB LYS 57 -6.469 18.837 -14.604 400 HB3 LYS 57 2HB LYS 57 -6.828 20.159 -15.707 401 HG2 LYS 57 1HG LYS 57 -3.981 19.432 -15.284 402 HG3 LYS 57 2HG LYS 57 -4.988 18.350 -16.249 403 HD2 LYS 57 1HD LYS 57 -5.260 19.878 -17.926 404 HD3 LYS 57 2HD LYS 57 -5.118 21.260 -16.838 405 HE2 LYS 57 1HE LYS 57 -2.678 20.675 -16.604 406 HE3 LYS 57 2HE LYS 57 -2.908 19.519 -17.914 407 HZ1 LYS 57 3HZ LYS 57 -2.669 22.381 -18.020 408 HZ2 LYS 57 1HZ LYS 57 -3.979 21.791 -18.914 409 HZ3 LYS 57 2HZ LYS 57 -2.416 21.230 -19.233 410 H GLY 58 H GLY 58 -7.179 19.108 -12.621 411 HA2 GLY 58 1HA GLY 58 -8.543 19.998 -10.693 412 HA3 GLY 58 2HA GLY 58 -9.149 21.171 -11.853 413 H GLU 59 H GLU 59 -9.030 18.908 -13.919 414 HA GLU 59 HA GLU 59 -11.196 17.193 -13.008 415 HB2 GLU 59 1HB GLU 59 -12.564 17.757 -15.037 416 HB3 GLU 59 2HB GLU 59 -12.477 19.032 -13.829 417 HG2 GLU 59 1HG GLU 59 -10.701 20.116 -15.176 418 HG3 GLU 59 2HG GLU 59 -10.948 18.888 -16.416 419 H SER 60 H SER 60 -10.356 15.262 -13.451 420 HA SER 60 HA SER 60 -8.415 14.687 -15.362 421 HB2 SER 60 1HB SER 60 -9.018 13.221 -13.433 422 HB3 SER 60 2HB SER 60 -10.492 12.765 -14.286 423 HG SER 60 HG SER 60 -9.340 11.355 -15.310 424 H SER 61 H SER 61 -8.953 12.790 -17.041 425 HA SER 61 HA SER 61 -11.381 12.886 -18.458 426 HB2 SER 61 1HB SER 61 -10.701 14.161 -20.442 427 HB3 SER 61 2HB SER 61 -10.659 15.180 -19.003 428 HG SER 61 HG SER 61 -8.476 15.123 -19.010 429 H CYS 62 H CYS 62 -11.450 11.383 -20.111 430 HA CYS 62 HA CYS 62 -10.038 9.132 -20.072 431 HB2 CYS 62 1HB CYS 62 -11.934 9.523 -21.598 432 HB3 CYS 62 2HB CYS 62 -10.893 10.487 -22.639 433 HA PRO 63 HA PRO 63 -5.853 10.472 -20.928 434 HB2 PRO 63 1HB PRO 63 -4.717 8.057 -20.433 435 HB3 PRO 63 2HB PRO 63 -5.220 9.163 -19.149 436 HG2 PRO 63 1HG PRO 63 -6.635 6.763 -20.243 437 HG3 PRO 63 2HG PRO 63 -6.439 7.274 -18.557 438 HD2 PRO 63 1HD PRO 63 -8.717 7.707 -19.954 439 HD3 PRO 63 2HD PRO 63 -8.144 8.819 -18.694 440 H VAL 64 H VAL 64 -7.911 8.918 -22.837 441 HA VAL 64 HA VAL 64 -5.843 8.059 -24.755 442 HB VAL 64 HB VAL 64 -8.705 7.114 -24.544 443 HG11 VAL 64 1HG1 VAL 64 -7.764 7.294 -26.871 444 HG12 VAL 64 2HG1 VAL 64 -6.563 6.091 -26.395 445 HG13 VAL 64 3HG1 VAL 64 -8.279 5.679 -26.385 446 HG21 VAL 64 3HG2 VAL 64 -6.169 5.544 -24.123 447 HG22 VAL 64 1HG2 VAL 64 -7.099 6.269 -22.813 448 HG23 VAL 64 2HG2 VAL 64 -7.825 5.019 -23.822 449 H CYS 65 H CYS 65 -9.202 9.269 -24.714 450 HA CYS 65 HA CYS 65 -8.547 10.876 -27.096 451 HB2 CYS 65 1HB CYS 65 -10.928 10.781 -27.671 452 HB3 CYS 65 2HB CYS 65 -10.251 9.162 -27.527 453 H ARG 66 H ARG 66 -9.497 10.955 -23.825 454 HA ARG 66 HA ARG 66 -10.096 12.621 -22.394 455 HB2 ARG 66 1HB ARG 66 -8.487 14.019 -24.487 456 HB3 ARG 66 2HB ARG 66 -9.317 14.986 -23.276 457 HG2 ARG 66 1HG ARG 66 -7.320 14.714 -22.234 458 HG3 ARG 66 2HG ARG 66 -8.152 13.279 -21.631 459 HD2 ARG 66 1HD ARG 66 -6.100 12.444 -22.327 460 HD3 ARG 66 2HD ARG 66 -7.154 12.107 -23.698 461 HE ARG 66 HE ARG 66 -6.127 14.476 -24.382 462 HH11 ARG 66 1HH1 ARG 66 -4.622 11.579 -23.173 463 HH12 ARG 66 2HH1 ARG 66 -3.124 11.857 -23.999 464 HH21 ARG 66 1HH2 ARG 66 -4.160 14.853 -25.474 465 HH22 ARG 66 2HH2 ARG 66 -2.862 13.719 -25.306 466 H ILE 67 H ILE 67 -12.244 11.813 -23.700 467 HA ILE 67 HA ILE 67 -13.570 13.942 -25.110 468 HB ILE 67 HB ILE 67 -13.976 11.466 -25.490 469 HG12 ILE 67 1HG1 ILE 67 -16.512 12.973 -24.879 470 HG13 ILE 67 2HG1 ILE 67 -15.460 13.437 -26.211 471 HG21 ILE 67 1HG2 ILE 67 -15.445 11.811 -22.887 472 HG22 ILE 67 2HG2 ILE 67 -15.766 10.492 -24.012 473 HG23 ILE 67 3HG2 ILE 67 -14.174 10.651 -23.271 474 HD11 ILE 67 3HD1 ILE 67 -17.191 12.076 -27.089 475 HD12 ILE 67 1HD1 ILE 67 -15.710 11.118 -27.100 476 HD13 ILE 67 2HD1 ILE 67 -16.930 10.842 -25.856 477 H SER 68 H SER 68 -15.767 14.680 -24.391 478 HA SER 68 HA SER 68 -15.558 15.714 -21.703 479 HB2 SER 68 1HB SER 68 -17.369 16.211 -24.039 480 HB3 SER 68 2HB SER 68 -17.862 16.746 -22.433 481 HG SER 68 HG SER 68 -16.439 18.129 -23.973 482 H TYR 69 H TYR 69 -15.885 14.018 -20.300 483 HA TYR 69 HA TYR 69 -18.649 13.063 -20.132 484 HB2 TYR 69 1HB TYR 69 -18.109 10.808 -20.019 485 HB3 TYR 69 2HB TYR 69 -16.992 11.383 -21.251 486 HD1 TYR 69 2HD TYR 69 -14.737 12.433 -20.006 487 HD2 TYR 69 1HD TYR 69 -17.184 9.244 -18.612 488 HE1 TYR 69 2HE TYR 69 -12.843 11.557 -18.704 489 HE2 TYR 69 1HE TYR 69 -15.298 8.360 -17.305 490 HH TYR 69 HH TYR 69 -12.200 9.136 -17.791 491 H GLN 70 H GLN 70 -19.059 11.979 -17.986 492 HA GLN 70 HA GLN 70 -17.534 13.370 -15.885 493 HB2 GLN 70 1HB GLN 70 -20.452 12.711 -16.137 494 HB3 GLN 70 2HB GLN 70 -19.730 12.978 -14.556 495 HG2 GLN 70 1HG GLN 70 -20.753 15.007 -15.355 496 HG3 GLN 70 2HG GLN 70 -19.003 15.204 -15.273 497 HE21 GLN 70 1HE2 GLN 70 -21.546 14.241 -17.548 498 HE22 GLN 70 2HE2 GLN 70 -20.847 15.013 -18.925 499 HA PRO 71 HA PRO 71 -16.361 9.273 -14.614 500 HB2 PRO 71 1HB PRO 71 -15.002 10.039 -12.391 501 HB3 PRO 71 2HB PRO 71 -14.345 10.206 -14.024 502 HG2 PRO 71 1HG PRO 71 -15.656 12.264 -12.290 503 HG3 PRO 71 2HG PRO 71 -14.210 12.413 -13.304 504 HD2 PRO 71 1HD PRO 71 -16.636 13.328 -14.083 505 HD3 PRO 71 2HD PRO 71 -15.439 12.699 -15.233 506 H GLU 72 H GLU 72 -18.458 11.431 -13.045 507 HA GLU 72 HA GLU 72 -18.879 9.931 -10.643 508 HB2 GLU 72 1HB GLU 72 -19.384 12.444 -11.156 509 HB3 GLU 72 2HB GLU 72 -20.907 11.824 -11.777 510 HG2 GLU 72 1HG GLU 72 -19.952 11.110 -9.033 511 HG3 GLU 72 2HG GLU 72 -20.803 12.622 -9.344 512 H ASN 73 H ASN 73 -20.674 10.307 -13.688 513 HA ASN 73 HA ASN 73 -22.483 8.156 -12.914 514 HB2 ASN 73 1HB ASN 73 -23.436 8.756 -15.286 515 HB3 ASN 73 2HB ASN 73 -23.734 9.825 -13.918 516 HD21 ASN 73 1HD2 ASN 73 -22.074 9.402 -16.918 517 HD22 ASN 73 2HD2 ASN 73 -21.509 11.027 -17.077 518 H ILE 74 H ILE 74 -20.875 6.478 -12.963 519 HA ILE 74 HA ILE 74 -20.673 5.262 -15.578 520 HB ILE 74 HB ILE 74 -18.162 5.882 -14.017 521 HG12 ILE 74 1HG1 ILE 74 -19.144 6.898 -16.693 522 HG13 ILE 74 2HG1 ILE 74 -19.002 7.840 -15.213 523 HG21 ILE 74 1HG2 ILE 74 -18.770 4.045 -16.256 524 HG22 ILE 74 2HG2 ILE 74 -17.265 4.957 -16.353 525 HG23 ILE 74 3HG2 ILE 74 -17.573 3.909 -14.968 526 HD11 ILE 74 3HD1 ILE 74 -17.121 8.445 -16.398 527 HD12 ILE 74 1HD1 ILE 74 -16.508 7.190 -15.322 528 HD13 ILE 74 2HD1 ILE 74 -16.854 6.813 -17.010 529 H ARG 75 H ARG 75 -20.298 3.036 -15.505 530 HA ARG 75 HA ARG 75 -19.691 1.721 -13.016 531 HB2 ARG 75 1HB ARG 75 -21.771 0.518 -12.783 532 HB3 ARG 75 2HB ARG 75 -22.107 2.244 -12.776 533 HG2 ARG 75 1HG ARG 75 -22.549 1.921 -15.305 534 HG3 ARG 75 2HG ARG 75 -22.699 0.214 -14.884 535 HD2 ARG 75 1HD ARG 75 -24.311 1.070 -13.042 536 HD3 ARG 75 2HD ARG 75 -24.385 2.533 -14.023 537 HE ARG 75 HE ARG 75 -24.927 0.670 -15.844 538 HH11 ARG 75 1HH1 ARG 75 -26.147 1.110 -12.613 539 HH12 ARG 75 2HH1 ARG 75 -27.690 0.403 -12.959 540 HH21 ARG 75 1HH2 ARG 75 -26.955 -0.263 -16.312 541 HH22 ARG 75 2HH2 ARG 75 -28.149 -0.379 -15.064 542 HA PRO 76 HA PRO 76 -18.177 -1.354 -15.760 543 HB2 PRO 76 1HB PRO 76 -18.328 -3.561 -14.187 544 HB3 PRO 76 2HB PRO 76 -17.131 -2.285 -13.938 545 HG2 PRO 76 1HG PRO 76 -19.726 -2.749 -12.521 546 HG3 PRO 76 2HG PRO 76 -18.149 -2.298 -11.848 547 HD2 PRO 76 1HD PRO 76 -20.127 -0.495 -12.259 548 HD3 PRO 76 2HD PRO 76 -18.408 -0.075 -12.401 549 H ASN 77 H ASN 77 -18.752 -3.857 -16.247 550 HA ASN 77 HA ASN 77 -21.306 -3.769 -17.521 551 HB2 ASN 77 1HB ASN 77 -19.689 -6.282 -17.221 552 HB3 ASN 77 2HB ASN 77 -20.694 -5.767 -18.573 553 HD21 ASN 77 1HD2 ASN 77 -19.879 -3.451 -19.360 554 HD22 ASN 77 2HD2 ASN 77 -18.194 -3.418 -19.741 555 H ARG 78 H ARG 78 -19.954 -5.605 -14.804 556 HA ARG 78 HA ARG 78 -22.458 -5.753 -13.476 557 HB2 ARG 78 1HB ARG 78 -22.809 -7.462 -15.259 558 HB3 ARG 78 2HB ARG 78 -21.436 -8.357 -14.620 559 HG2 ARG 78 1HG ARG 78 -23.635 -7.668 -12.751 560 HG3 ARG 78 2HG ARG 78 -23.921 -8.934 -13.947 561 HD2 ARG 78 1HD ARG 78 -21.481 -8.924 -12.196 562 HD3 ARG 78 2HD ARG 78 -23.004 -9.635 -11.663 563 HE ARG 78 HE ARG 78 -21.179 -10.699 -13.623 564 HH11 ARG 78 1HH1 ARG 78 -24.442 -10.716 -12.410 565 HH12 ARG 78 2HH1 ARG 78 -24.808 -12.287 -13.044 566 HH21 ARG 78 1HH2 ARG 78 -21.648 -12.768 -14.462 567 HH22 ARG 78 2HH2 ARG 78 -23.218 -13.453 -14.210 568 H HIS 79 H HIS 79 -21.952 -5.701 -11.395 569 HA HIS 79 HA HIS 79 -19.620 -7.221 -10.455 570 HB2 HIS 79 1HB HIS 79 -18.855 -5.403 -9.096 571 HB3 HIS 79 2HB HIS 79 -19.066 -4.783 -10.731 572 HD2 HIS 79 2HD HIS 79 -21.124 -2.897 -11.039 573 HE1 HIS 79 1HE HIS 79 -21.954 -2.538 -6.894 574 HE2 HIS 79 2HE HIS 79 -22.429 -1.635 -9.197 575 H VAL 80 H VAL 80 -22.224 -8.126 -10.301 576 HA VAL 80 HA VAL 80 -22.749 -7.922 -7.409 577 HB VAL 80 HB VAL 80 -25.140 -8.198 -7.830 578 HG11 VAL 80 1HG1 VAL 80 -24.819 -5.930 -9.580 579 HG12 VAL 80 2HG1 VAL 80 -25.339 -5.983 -7.895 580 HG13 VAL 80 3HG1 VAL 80 -23.621 -5.901 -8.286 581 HG21 VAL 80 3HG2 VAL 80 -24.592 -7.798 -10.759 582 HG22 VAL 80 1HG2 VAL 80 -24.760 -9.399 -10.038 583 HG23 VAL 80 2HG2 VAL 80 -26.105 -8.260 -9.978 584 H ALA 81 H ALA 81 -23.413 -9.807 -6.364 585 HA ALA 81 HA ALA 81 -22.418 -12.235 -7.486 586 HB1 ALA 81 3HB ALA 81 -24.094 -12.596 -5.149 587 HB2 ALA 81 1HB ALA 81 -22.374 -12.921 -5.368 588 HB3 ALA 81 2HB ALA 81 -22.918 -11.301 -4.930 589 H ASN 82 H ASN 82 -25.668 -11.038 -6.691 590 HA ASN 82 HA ASN 82 -27.211 -13.222 -7.230 591 HB2 ASN 82 1HB ASN 82 -29.023 -11.725 -7.730 592 HB3 ASN 82 2HB ASN 82 -28.029 -10.969 -6.488 593 HD21 ASN 82 1HD2 ASN 82 -27.481 -8.939 -6.805 594 HD22 ASN 82 2HD2 ASN 82 -27.481 -8.111 -8.322 595 H ILE 83 H ILE 83 -27.961 -14.298 -8.993 596 HA ILE 83 HA ILE 83 -26.743 -13.577 -11.571 597 HB ILE 83 HB ILE 83 -27.859 -16.240 -10.684 598 HG12 ILE 83 1HG1 ILE 83 -25.787 -15.657 -9.507 599 HG13 ILE 83 2HG1 ILE 83 -25.513 -16.971 -10.645 600 HG21 ILE 83 1HG2 ILE 83 -26.700 -15.255 -13.253 601 HG22 ILE 83 2HG2 ILE 83 -26.490 -16.941 -12.783 602 HG23 ILE 83 3HG2 ILE 83 -28.111 -16.275 -12.977 603 HD11 ILE 83 3HD1 ILE 83 -24.811 -14.078 -11.078 604 HD12 ILE 83 1HD1 ILE 83 -23.688 -15.381 -10.693 605 HD13 ILE 83 2HD1 ILE 83 -24.549 -15.385 -12.233 606 H VAL 84 H VAL 84 -28.134 -12.340 -12.681 607 HA VAL 84 HA VAL 84 -30.555 -13.470 -13.664 608 HB VAL 84 HB VAL 84 -31.421 -12.777 -11.493 609 HG11 VAL 84 1HG1 VAL 84 -30.729 -10.937 -10.463 610 HG12 VAL 84 2HG1 VAL 84 -29.693 -10.579 -11.846 611 HG13 VAL 84 3HG1 VAL 84 -31.334 -9.933 -11.781 612 HG21 VAL 84 3HG2 VAL 84 -32.311 -11.441 -13.989 613 HG22 VAL 84 1HG2 VAL 84 -33.151 -12.604 -12.964 614 HG23 VAL 84 2HG2 VAL 84 -33.042 -10.914 -12.474 615 H GLU 85 H GLU 85 -30.669 -12.786 -15.691 616 HA GLU 85 HA GLU 85 -29.077 -10.682 -16.698 617 HB2 GLU 85 1HB GLU 85 -29.770 -12.604 -18.064 618 HB3 GLU 85 2HB GLU 85 -31.442 -12.070 -17.971 619 HG2 GLU 85 1HG GLU 85 -31.023 -10.179 -19.303 620 HG3 GLU 85 2HG GLU 85 -29.277 -10.354 -19.138
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