NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
653179 | 6l99 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HN ALA 1 -28.081 -15.734 5.563 2 HA ALA 1 HA ALA 1 -26.267 -16.709 6.695 3 HB1 ALA 1 1HB ALA 1 -28.145 -18.412 5.534 4 HB2 ALA 1 2HB ALA 1 -26.583 -19.183 5.251 5 HB3 ALA 1 3HB ALA 1 -27.076 -18.768 6.892 6 H LEU 2 HN LEU 2 -24.174 -16.303 6.432 7 HA LEU 2 HA LEU 2 -22.055 -16.307 5.607 8 HB2 LEU 2 2HB LEU 2 -23.097 -18.849 5.107 9 HB3 LEU 2 3HB LEU 2 -22.323 -18.363 3.601 10 HG LEU 2 HG LEU 2 -20.808 -19.666 4.987 11 HD11 LEU 2 1HD1 LEU 2 -19.650 -18.174 3.631 12 HD12 LEU 2 2HD1 LEU 2 -18.992 -17.863 5.236 13 HD13 LEU 2 3HD1 LEU 2 -20.190 -16.767 4.548 14 HD21 LEU 2 1HD2 LEU 2 -21.910 -18.865 7.150 15 HD22 LEU 2 2HD2 LEU 2 -20.856 -17.458 7.021 16 HD23 LEU 2 3HD2 LEU 2 -20.158 -19.073 7.156 17 H ASP 3 HN ASP 3 -21.191 -14.893 4.241 18 HA ASP 3 HA ASP 3 -21.759 -14.883 1.443 19 HB2 ASP 3 2HB ASP 3 -22.724 -12.615 1.330 20 HB3 ASP 3 3HB ASP 3 -23.775 -13.731 2.199 21 HA PRO 4 HA PRO 4 -17.731 -13.117 1.469 22 HB2 PRO 4 2HB PRO 4 -17.678 -12.096 -1.046 23 HB3 PRO 4 3HB PRO 4 -17.567 -13.828 -0.710 24 HG2 PRO 4 2HG PRO 4 -19.941 -12.210 -1.555 25 HG3 PRO 4 3HG PRO 4 -19.415 -13.806 -2.121 26 HD2 PRO 4 2HD PRO 4 -21.404 -13.486 -0.312 27 HD3 PRO 4 3HD PRO 4 -20.319 -14.891 -0.299 28 H LEU 5 HN LEU 5 -18.223 -11.476 3.060 29 HA LEU 5 HA LEU 5 -19.466 -9.057 2.658 30 HB2 LEU 5 2HB LEU 5 -17.794 -10.210 4.610 31 HB3 LEU 5 3HB LEU 5 -17.104 -8.635 4.224 32 HG LEU 5 HG LEU 5 -19.364 -7.640 4.694 33 HD11 LEU 5 1HD1 LEU 5 -19.893 -10.419 5.732 34 HD12 LEU 5 2HD1 LEU 5 -20.746 -9.591 4.430 35 HD13 LEU 5 3HD1 LEU 5 -20.885 -9.005 6.087 36 HD21 LEU 5 1HD2 LEU 5 -17.580 -7.484 6.314 37 HD22 LEU 5 2HD2 LEU 5 -17.943 -9.100 6.918 38 HD23 LEU 5 3HD2 LEU 5 -19.105 -7.792 7.144 39 H VAL 6 HN VAL 6 -15.924 -9.480 2.529 40 HA VAL 6 HA VAL 6 -14.305 -8.411 1.338 41 HB VAL 6 HB VAL 6 -16.401 -8.941 -0.509 42 HG11 VAL 6 1HG1 VAL 6 -16.664 -6.479 -0.596 43 HG12 VAL 6 2HG1 VAL 6 -14.978 -6.348 -1.098 44 HG13 VAL 6 3HG1 VAL 6 -16.144 -7.177 -2.130 45 HG21 VAL 6 1HG2 VAL 6 -13.827 -9.561 -0.295 46 HG22 VAL 6 2HG2 VAL 6 -14.680 -9.624 -1.838 47 HG23 VAL 6 3HG2 VAL 6 -13.675 -8.230 -1.442 48 H SER 7 HN SER 7 -13.551 -6.292 0.586 49 HA SER 7 HA SER 7 -15.140 -3.963 0.813 50 HB2 SER 7 2HB SER 7 -13.963 -4.996 3.274 51 HB3 SER 7 3HB SER 7 -13.439 -3.350 2.919 52 HG SER 7 HG SER 7 -15.735 -4.111 3.950 53 H CYS 8 HN CYS 8 -11.858 -4.335 2.068 54 HA CYS 8 HA CYS 8 -10.655 -2.285 0.769 55 HB2 CYS 8 2HB CYS 8 -9.622 -3.877 2.455 56 HB3 CYS 8 3HB CYS 8 -9.296 -4.960 1.106 57 H LYS 9 HN LYS 9 -9.221 -2.177 -1.093 58 HA LYS 9 HA LYS 9 -10.110 -3.933 -3.287 59 HB2 LYS 9 2HB LYS 9 -9.152 -1.109 -3.685 60 HB3 LYS 9 3HB LYS 9 -10.076 -2.118 -4.791 61 HG2 LYS 9 2HG LYS 9 -11.532 -1.758 -2.347 62 HG3 LYS 9 3HG LYS 9 -11.044 -0.193 -3.002 63 HD2 LYS 9 2HD LYS 9 -12.473 -2.354 -4.550 64 HD3 LYS 9 3HD LYS 9 -13.247 -0.936 -3.839 65 HE2 LYS 9 2HE LYS 9 -12.421 0.473 -5.415 66 HE3 LYS 9 3HE LYS 9 -10.927 -0.444 -5.608 67 HZ1 LYS 9 1HZ LYS 9 -12.578 -0.456 -7.525 68 HZ2 LYS 9 2HZ LYS 9 -13.513 -1.497 -6.574 69 HZ3 LYS 9 3HZ LYS 9 -11.950 -1.949 -7.037 70 H LEU 10 HN LEU 10 -7.441 -2.291 -1.743 71 HA LEU 10 HA LEU 10 -5.451 -2.782 -3.662 72 HB2 LEU 10 2HB LEU 10 -5.445 -2.258 -0.722 73 HB3 LEU 10 3HB LEU 10 -3.949 -2.730 -1.524 74 HG LEU 10 HG LEU 10 -5.570 -0.231 -1.909 75 HD11 LEU 10 1HD1 LEU 10 -2.740 -0.853 -1.108 76 HD12 LEU 10 2HD1 LEU 10 -3.984 -0.023 -0.174 77 HD13 LEU 10 3HD1 LEU 10 -3.271 0.762 -1.582 78 HD21 LEU 10 1HD2 LEU 10 -3.549 0.101 -3.643 79 HD22 LEU 10 2HD2 LEU 10 -5.142 -0.494 -4.112 80 HD23 LEU 10 3HD2 LEU 10 -3.821 -1.631 -3.833 81 H CYS 11 HN CYS 11 -6.971 -4.840 -1.333 82 HA CYS 11 HA CYS 11 -5.259 -7.055 -2.226 83 HB2 CYS 11 2HB CYS 11 -5.077 -7.949 -0.017 84 HB3 CYS 11 3HB CYS 11 -4.607 -6.255 0.073 85 H LEU 12 HN LEU 12 -8.257 -5.810 -2.167 86 HA LEU 12 HA LEU 12 -10.402 -6.640 -2.147 87 HB2 LEU 12 2HB LEU 12 -9.026 -8.817 -3.712 88 HB3 LEU 12 3HB LEU 12 -10.731 -8.379 -3.797 89 HG LEU 12 HG LEU 12 -9.024 -6.122 -4.408 90 HD11 LEU 12 1HD1 LEU 12 -7.394 -7.452 -5.343 91 HD12 LEU 12 2HD1 LEU 12 -8.467 -7.191 -6.717 92 HD13 LEU 12 3HD1 LEU 12 -8.538 -8.707 -5.819 93 HD21 LEU 12 1HD2 LEU 12 -11.054 -7.597 -6.079 94 HD22 LEU 12 2HD2 LEU 12 -10.484 -5.944 -6.310 95 HD23 LEU 12 3HD2 LEU 12 -11.448 -6.354 -4.890 96 H GLY 13 HN GLY 13 -8.706 -7.561 0.099 97 HA2 GLY 13 1HA GLY 13 -9.296 -10.304 0.615 98 HA3 GLY 13 2HA GLY 13 -8.720 -9.128 1.788 99 H GLU 14 HN GLU 14 -10.175 -10.175 3.288 100 HA GLU 14 HA GLU 14 -12.907 -9.120 3.037 101 HB2 GLU 14 2HB GLU 14 -12.107 -11.888 3.165 102 HB3 GLU 14 3HB GLU 14 -13.084 -11.474 4.568 103 HG2 GLU 14 2HG GLU 14 -14.938 -11.513 3.365 104 HG3 GLU 14 3HG GLU 14 -14.264 -10.381 2.194 105 H TYR 15 HN TYR 15 -13.277 -7.745 4.633 106 HA TYR 15 HA TYR 15 -12.700 -8.427 7.364 107 HB2 TYR 15 2HB TYR 15 -11.461 -5.841 6.541 108 HB3 TYR 15 3HB TYR 15 -11.045 -6.910 7.876 109 HD1 TYR 15 1HD TYR 15 -10.609 -6.267 4.288 110 HD2 TYR 15 2HD TYR 15 -9.518 -8.757 7.562 111 HE1 TYR 15 1HE TYR 15 -8.762 -7.198 2.957 112 HE2 TYR 15 2HE TYR 15 -7.668 -9.693 6.240 113 HH TYR 15 HH TYR 15 -6.237 -8.660 4.085 114 HA PRO 16 HA PRO 16 -16.202 -5.872 8.058 115 HB2 PRO 16 2HB PRO 16 -15.756 -5.068 10.613 116 HB3 PRO 16 3HB PRO 16 -16.239 -6.717 10.195 117 HG2 PRO 16 2HG PRO 16 -13.514 -5.638 10.808 118 HG3 PRO 16 3HG PRO 16 -14.265 -7.151 11.348 119 HD2 PRO 16 2HD PRO 16 -12.482 -7.054 9.312 120 HD3 PRO 16 3HD PRO 16 -13.811 -8.230 9.362 121 H VAL 17 HN VAL 17 -16.495 -3.638 9.577 122 HA VAL 17 HA VAL 17 -15.080 -1.652 7.985 123 HB VAL 17 HB VAL 17 -17.670 -1.805 9.153 124 HG11 VAL 17 1HG1 VAL 17 -16.698 -0.695 11.109 125 HG12 VAL 17 2HG1 VAL 17 -16.096 0.599 10.073 126 HG13 VAL 17 3HG1 VAL 17 -17.833 0.356 10.263 127 HG21 VAL 17 1HG2 VAL 17 -16.840 -0.960 6.880 128 HG22 VAL 17 2HG2 VAL 17 -18.173 -0.092 7.641 129 HG23 VAL 17 3HG2 VAL 17 -16.540 0.570 7.706 130 H GLU 18 HN GLU 18 -15.018 -2.989 11.147 131 HA GLU 18 HA GLU 18 -13.718 -0.721 12.377 132 HB2 GLU 18 2HB GLU 18 -14.436 -3.489 13.295 133 HB3 GLU 18 3HB GLU 18 -13.365 -2.476 14.252 134 HG2 GLU 18 2HG GLU 18 -15.631 -0.928 13.546 135 HG3 GLU 18 3HG GLU 18 -16.195 -2.479 14.165 136 H GLN 19 HN GLN 19 -12.772 -3.340 10.455 137 HA GLN 19 HA GLN 19 -10.025 -3.311 11.474 138 HB2 GLN 19 2HB GLN 19 -11.536 -5.173 9.659 139 HB3 GLN 19 3HB GLN 19 -9.780 -5.209 9.744 140 HG2 GLN 19 2HG GLN 19 -11.636 -6.487 11.429 141 HG3 GLN 19 3HG GLN 19 -9.876 -6.484 11.542 142 HE21 GLN 19 1HE2 GLN 19 -12.786 -4.764 12.517 143 HE22 GLN 19 2HE2 GLN 19 -12.121 -4.080 13.956 144 H MET 20 HN MET 20 -11.536 -1.288 9.674 145 HA MET 20 HA MET 20 -9.345 -1.017 7.736 146 HB2 MET 20 2HB MET 20 -11.887 0.019 6.750 147 HB3 MET 20 3HB MET 20 -10.697 -0.994 5.943 148 HG2 MET 20 2HG MET 20 -11.709 -2.844 7.521 149 HG3 MET 20 3HG MET 20 -13.099 -1.760 7.507 150 HE1 MET 20 1HE MET 20 -10.936 -2.642 3.789 151 HE2 MET 20 2HE MET 20 -10.352 -3.008 5.412 152 HE3 MET 20 3HE MET 20 -11.140 -4.263 4.455 153 H THR 21 HN THR 21 -9.526 1.279 6.682 154 HA THR 21 HA THR 21 -10.387 3.269 8.651 155 HB THR 21 HB THR 21 -7.583 2.998 7.575 156 HG1 THR 21 1HG THR 21 -8.201 3.589 10.238 157 HG21 THR 21 1HG2 THR 21 -7.079 5.181 8.484 158 HG22 THR 21 2HG2 THR 21 -8.745 5.375 9.030 159 HG23 THR 21 3HG2 THR 21 -8.382 5.331 7.305 160 H THR 22 HN THR 22 -11.054 5.188 7.789 161 HA THR 22 HA THR 22 -11.617 5.230 4.979 162 HB THR 22 HB THR 22 -12.260 6.999 7.292 163 HG1 THR 22 1HG THR 22 -13.813 5.520 6.823 164 HG21 THR 22 1HG2 THR 22 -11.494 8.621 5.674 165 HG22 THR 22 2HG2 THR 22 -13.257 8.661 5.736 166 HG23 THR 22 3HG2 THR 22 -12.439 7.850 4.402 167 H ILE 23 HN ILE 23 -11.020 6.946 3.518 168 HA ILE 23 HA ILE 23 -8.237 7.511 3.577 169 HB ILE 23 HB ILE 23 -10.455 8.436 1.764 170 HG12 ILE 23 2HG1 ILE 23 -9.756 6.090 1.565 171 HG13 ILE 23 3HG1 ILE 23 -9.311 7.005 0.129 172 HG21 ILE 23 1HG2 ILE 23 -8.025 8.967 0.504 173 HG22 ILE 23 2HG2 ILE 23 -9.191 10.142 1.111 174 HG23 ILE 23 3HG2 ILE 23 -7.854 9.617 2.135 175 HD11 ILE 23 1HD1 ILE 23 -7.024 7.262 1.292 176 HD12 ILE 23 2HD1 ILE 23 -7.565 5.908 2.284 177 HD13 ILE 23 3HD1 ILE 23 -7.438 5.725 0.535 178 H ALA 24 HN ALA 24 -10.372 10.117 2.700 179 HA ALA 24 HA ALA 24 -10.572 11.699 4.877 180 HB1 ALA 24 1HB ALA 24 -8.431 11.880 5.580 181 HB2 ALA 24 2HB ALA 24 -7.762 11.565 3.978 182 HB3 ALA 24 3HB ALA 24 -8.387 13.167 4.374 183 H GLN 25 HN GLN 25 -11.659 11.298 2.257 184 HA GLN 25 HA GLN 25 -12.411 13.889 1.587 185 HB2 GLN 25 2HB GLN 25 -9.874 13.108 0.458 186 HB3 GLN 25 3HB GLN 25 -11.050 13.385 -0.819 187 HG2 GLN 25 2HG GLN 25 -10.229 15.318 1.335 188 HG3 GLN 25 3HG GLN 25 -9.850 15.414 -0.384 189 HE21 GLN 25 1HE2 GLN 25 -12.078 16.173 2.062 190 HE22 GLN 25 2HE2 GLN 25 -13.299 16.877 1.063 191 H CYS 26 HN CYS 26 -11.697 10.705 0.202 192 HA CYS 26 HA CYS 26 -14.129 10.847 -1.415 193 HB2 CYS 26 2HB CYS 26 -13.304 8.777 -2.463 194 HB3 CYS 26 3HB CYS 26 -12.101 10.061 -2.531 195 H GLN 27 HN GLN 27 -12.972 9.539 1.523 196 HA GLN 27 HA GLN 27 -13.931 8.248 3.131 197 HB2 GLN 27 2HB GLN 27 -16.409 8.798 1.495 198 HB3 GLN 27 3HB GLN 27 -16.424 7.989 3.056 199 HG2 GLN 27 2HG GLN 27 -16.813 10.611 2.758 200 HG3 GLN 27 3HG GLN 27 -16.098 9.897 4.202 201 HE21 GLN 27 1HE2 GLN 27 -13.790 9.909 4.393 202 HE22 GLN 27 2HE2 GLN 27 -12.863 11.138 3.608 203 H CYS 28 HN CYS 28 -12.508 6.719 1.656 204 HA CYS 28 HA CYS 28 -14.173 4.543 0.602 205 HB2 CYS 28 2HB CYS 28 -11.281 5.290 0.209 206 HB3 CYS 28 3HB CYS 28 -11.895 3.703 -0.246 207 H ILE 29 HN ILE 29 -12.838 2.331 0.890 208 HA ILE 29 HA ILE 29 -12.157 2.106 3.748 209 HB ILE 29 HB ILE 29 -14.463 1.150 2.873 210 HG12 ILE 29 2HG1 ILE 29 -14.217 -0.699 4.602 211 HG13 ILE 29 3HG1 ILE 29 -12.533 -0.209 4.756 212 HG21 ILE 29 1HG2 ILE 29 -13.260 -0.179 1.096 213 HG22 ILE 29 2HG2 ILE 29 -12.663 -1.212 2.394 214 HG23 ILE 29 3HG2 ILE 29 -14.397 -1.084 2.096 215 HD11 ILE 29 1HD1 ILE 29 -14.513 0.729 6.300 216 HD12 ILE 29 2HD1 ILE 29 -13.045 1.637 5.931 217 HD13 ILE 29 3HD1 ILE 29 -14.524 1.941 5.019 218 H PHE 30 HN PHE 30 -10.241 1.219 4.135 219 HA PHE 30 HA PHE 30 -9.165 -0.837 2.401 220 HB2 PHE 30 2HB PHE 30 -7.699 1.781 2.801 221 HB3 PHE 30 3HB PHE 30 -7.038 0.352 2.014 222 HD1 PHE 30 1HD PHE 30 -8.349 -0.533 -0.040 223 HD2 PHE 30 2HD PHE 30 -8.756 3.399 1.540 224 HE1 PHE 30 1HE PHE 30 -9.249 0.236 -2.196 225 HE2 PHE 30 2HE PHE 30 -9.658 4.173 -0.613 226 HZ PHE 30 HZ PHE 30 -9.907 2.592 -2.485 227 H CYS 31 HN CYS 31 -8.188 -2.323 3.605 228 HA CYS 31 HA CYS 31 -8.011 -2.184 6.379 229 HB2 CYS 31 2HB CYS 31 -6.897 -4.278 6.294 230 HB3 CYS 31 3HB CYS 31 -7.992 -4.262 4.916 231 H THR 32 HN THR 32 -6.570 -1.369 7.760 232 HA THR 32 HA THR 32 -4.749 0.521 7.314 233 HB THR 32 HB THR 32 -4.050 -1.684 9.246 234 HG1 THR 32 1HG THR 32 -6.141 0.221 9.336 235 HG21 THR 32 1HG2 THR 32 -3.717 1.318 9.348 236 HG22 THR 32 2HG2 THR 32 -2.439 0.143 9.035 237 HG23 THR 32 3HG2 THR 32 -3.233 0.186 10.610 238 H LEU 33 HN LEU 33 -3.933 -2.945 7.242 239 HA LEU 33 HA LEU 33 -1.286 -2.951 6.757 240 HB2 LEU 33 2HB LEU 33 -3.336 -4.551 5.232 241 HB3 LEU 33 3HB LEU 33 -1.615 -4.922 5.315 242 HG LEU 33 HG LEU 33 -2.370 -4.821 7.966 243 HD11 LEU 33 1HD1 LEU 33 -4.526 -6.250 6.418 244 HD12 LEU 33 2HD1 LEU 33 -4.733 -4.723 7.275 245 HD13 LEU 33 3HD1 LEU 33 -4.348 -6.192 8.172 246 HD21 LEU 33 1HD2 LEU 33 -2.239 -7.227 6.150 247 HD22 LEU 33 2HD2 LEU 33 -2.063 -7.234 7.906 248 HD23 LEU 33 3HD2 LEU 33 -0.856 -6.430 6.900 249 H CYS 34 HN CYS 34 -3.551 -2.967 4.001 250 HA CYS 34 HA CYS 34 -1.625 -2.167 2.116 251 HB2 CYS 34 2HB CYS 34 -4.609 -1.736 1.906 252 HB3 CYS 34 3HB CYS 34 -3.458 -1.892 0.582 253 H LEU 35 HN LEU 35 -4.375 -0.257 3.353 254 HA LEU 35 HA LEU 35 -3.739 2.185 2.308 255 HB2 LEU 35 2HB LEU 35 -5.768 1.624 3.633 256 HB3 LEU 35 3HB LEU 35 -4.793 1.737 5.097 257 HG LEU 35 HG LEU 35 -4.483 4.091 4.788 258 HD11 LEU 35 1HD1 LEU 35 -5.642 3.563 2.085 259 HD12 LEU 35 2HD1 LEU 35 -4.191 4.463 2.527 260 HD13 LEU 35 3HD1 LEU 35 -5.785 5.159 2.820 261 HD21 LEU 35 1HD2 LEU 35 -6.553 4.726 5.445 262 HD22 LEU 35 2HD2 LEU 35 -6.817 2.982 5.486 263 HD23 LEU 35 3HD2 LEU 35 -7.351 3.923 4.093 264 H LYS 36 HN LYS 36 -2.028 0.453 4.721 265 HA LYS 36 HA LYS 36 -0.587 2.809 5.655 266 HB2 LYS 36 2HB LYS 36 -1.182 1.206 7.352 267 HB3 LYS 36 3HB LYS 36 -0.447 -0.106 6.440 268 HG2 LYS 36 2HG LYS 36 1.392 2.080 7.048 269 HG3 LYS 36 3HG LYS 36 0.741 1.269 8.474 270 HD2 LYS 36 2HD LYS 36 1.488 -0.656 6.466 271 HD3 LYS 36 3HD LYS 36 2.844 0.411 6.836 272 HE2 LYS 36 2HE LYS 36 2.677 -0.107 9.179 273 HE3 LYS 36 3HE LYS 36 1.201 -1.034 8.911 274 HZ1 LYS 36 1HZ LYS 36 3.842 -1.936 8.816 275 HZ2 LYS 36 2HZ LYS 36 3.218 -2.052 7.249 276 HZ3 LYS 36 3HZ LYS 36 2.428 -2.820 8.531 277 H GLN 37 HN GLN 37 0.539 -0.425 4.671 278 HA GLN 37 HA GLN 37 3.116 0.131 4.055 279 HB2 GLN 37 2HB GLN 37 1.223 -1.909 3.320 280 HB3 GLN 37 3HB GLN 37 2.268 -1.544 1.954 281 HG2 GLN 37 2HG GLN 37 4.031 -2.529 2.893 282 HG3 GLN 37 3HG GLN 37 3.711 -1.810 4.470 283 HE21 GLN 37 1HE2 GLN 37 4.084 -3.658 5.629 284 HE22 GLN 37 2HE2 GLN 37 3.048 -5.039 5.570 285 H TYR 38 HN TYR 38 0.330 1.217 2.339 286 HA TYR 38 HA TYR 38 1.726 1.888 -0.086 287 HB2 TYR 38 2HB TYR 38 -0.422 1.710 -0.739 288 HB3 TYR 38 3HB TYR 38 -1.031 1.971 0.892 289 HD1 TYR 38 1HD TYR 38 -2.648 3.620 0.818 290 HD2 TYR 38 2HD TYR 38 0.927 4.153 -1.425 291 HE1 TYR 38 1HE TYR 38 -3.391 5.876 0.182 292 HE2 TYR 38 2HE TYR 38 0.194 6.412 -2.066 293 HH TYR 38 HH TYR 38 -2.064 7.618 -2.295 294 H VAL 39 HN VAL 39 0.170 3.829 2.472 295 HA VAL 39 HA VAL 39 1.419 6.251 1.576 296 HB VAL 39 HB VAL 39 0.410 7.291 3.545 297 HG11 VAL 39 1HG1 VAL 39 -0.899 6.340 1.385 298 HG12 VAL 39 2HG1 VAL 39 -1.813 5.564 2.680 299 HG13 VAL 39 3HG1 VAL 39 -1.655 7.320 2.641 300 HG21 VAL 39 1HG2 VAL 39 0.662 5.680 5.245 301 HG22 VAL 39 2HG2 VAL 39 -1.078 5.815 4.986 302 HG23 VAL 39 3HG2 VAL 39 -0.190 4.447 4.316 303 H GLU 40 HN GLU 40 1.759 4.218 4.485 304 HA GLU 40 HA GLU 40 3.602 5.444 5.964 305 HB2 GLU 40 2HB GLU 40 2.746 2.859 5.797 306 HB3 GLU 40 3HB GLU 40 4.441 2.684 5.364 307 HG2 GLU 40 2HG GLU 40 4.229 4.393 7.640 308 HG3 GLU 40 3HG GLU 40 3.313 2.917 7.930 309 H LEU 41 HN LEU 41 4.233 3.995 2.828 310 HA LEU 41 HA LEU 41 7.070 4.366 2.941 311 HB2 LEU 41 2HB LEU 41 5.183 3.130 1.201 312 HB3 LEU 41 3HB LEU 41 6.187 4.226 0.253 313 HG LEU 41 HG LEU 41 8.157 3.040 0.783 314 HD11 LEU 41 1HD1 LEU 41 6.503 1.790 2.946 315 HD12 LEU 41 2HD1 LEU 41 8.051 2.626 3.070 316 HD13 LEU 41 3HD1 LEU 41 7.974 1.016 2.355 317 HD21 LEU 41 1HD2 LEU 41 7.725 0.853 -0.073 318 HD22 LEU 41 2HD2 LEU 41 6.611 1.971 -0.862 319 HD23 LEU 41 3HD2 LEU 41 6.038 0.925 0.438 320 H LEU 42 HN LEU 42 4.398 6.060 1.324 321 HA LEU 42 HA LEU 42 6.092 8.085 0.226 322 HB2 LEU 42 2HB LEU 42 3.103 7.930 0.565 323 HB3 LEU 42 3HB LEU 42 3.935 9.230 -0.286 324 HG LEU 42 HG LEU 42 4.305 6.391 -1.157 325 HD11 LEU 42 1HD1 LEU 42 1.959 8.173 -1.760 326 HD12 LEU 42 2HD1 LEU 42 1.942 6.538 -1.100 327 HD13 LEU 42 3HD1 LEU 42 2.427 6.808 -2.774 328 HD21 LEU 42 1HD2 LEU 42 4.175 8.893 -2.809 329 HD22 LEU 42 2HD2 LEU 42 4.907 7.341 -3.213 330 HD23 LEU 42 3HD2 LEU 42 5.657 8.384 -2.003 331 H ILE 43 HN ILE 43 3.554 8.208 2.732 332 HA ILE 43 HA ILE 43 3.742 10.725 3.648 333 HB ILE 43 HB ILE 43 2.969 8.224 4.819 334 HG12 ILE 43 2HG1 ILE 43 1.473 9.796 6.139 335 HG13 ILE 43 3HG1 ILE 43 2.284 11.123 5.314 336 HG21 ILE 43 1HG2 ILE 43 3.326 8.865 7.206 337 HG22 ILE 43 2HG2 ILE 43 4.799 8.425 6.343 338 HG23 ILE 43 3HG2 ILE 43 4.429 10.122 6.646 339 HD11 ILE 43 1HD1 ILE 43 0.031 9.831 4.455 340 HD12 ILE 43 2HD1 ILE 43 1.092 10.830 3.461 341 HD13 ILE 43 3HD1 ILE 43 1.303 9.079 3.493 342 H LYS 44 HN LYS 44 6.035 8.136 4.405 343 HA LYS 44 HA LYS 44 7.623 9.561 6.226 344 HB2 LYS 44 2HB LYS 44 7.749 7.048 4.810 345 HB3 LYS 44 3HB LYS 44 9.331 7.816 4.836 346 HG2 LYS 44 2HG LYS 44 8.960 6.276 6.725 347 HG3 LYS 44 3HG LYS 44 9.296 7.932 7.235 348 HD2 LYS 44 2HD LYS 44 7.496 7.594 8.559 349 HD3 LYS 44 3HD LYS 44 6.607 8.018 7.094 350 HE2 LYS 44 2HE LYS 44 5.608 6.037 7.186 351 HE3 LYS 44 3HE LYS 44 7.172 5.275 6.899 352 HZ1 LYS 44 1HZ LYS 44 7.053 5.981 9.594 353 HZ2 LYS 44 2HZ LYS 44 7.068 4.427 8.926 354 HZ3 LYS 44 3HZ LYS 44 5.596 5.207 9.221 355 H GLU 45 HN GLU 45 7.763 9.302 2.706 356 HA GLU 45 HA GLU 45 10.182 10.779 2.430 357 HB2 GLU 45 2HB GLU 45 8.408 9.361 0.724 358 HB3 GLU 45 3HB GLU 45 8.577 10.987 0.077 359 HG2 GLU 45 2HG GLU 45 10.687 8.911 0.509 360 HG3 GLU 45 3HG GLU 45 10.253 9.760 -0.972 361 H GLY 46 HN GLY 46 7.097 11.761 0.986 362 HA2 GLY 46 1HA GLY 46 5.896 13.751 1.452 363 HA3 GLY 46 2HA GLY 46 7.298 14.364 2.317 364 H LEU 47 HN LEU 47 8.766 13.213 -0.240 365 HA LEU 47 HA LEU 47 9.407 15.601 -1.431 366 HB2 LEU 47 2HB LEU 47 10.520 14.393 -3.028 367 HB3 LEU 47 3HB LEU 47 10.359 13.198 -1.741 368 HG LEU 47 HG LEU 47 8.445 13.341 -4.058 369 HD11 LEU 47 1HD1 LEU 47 10.549 11.273 -4.035 370 HD12 LEU 47 2HD1 LEU 47 11.058 12.905 -4.470 371 HD13 LEU 47 3HD1 LEU 47 9.783 12.104 -5.389 372 HD21 LEU 47 1HD2 LEU 47 8.327 11.978 -1.683 373 HD22 LEU 47 2HD2 LEU 47 9.034 10.787 -2.776 374 HD23 LEU 47 3HD2 LEU 47 7.484 11.532 -3.166 375 H GLU 48 HN GLU 48 6.846 13.339 -2.391 376 HA GLU 48 HA GLU 48 5.153 15.391 -3.339 377 HB2 GLU 48 2HB GLU 48 5.247 15.115 -5.689 378 HB3 GLU 48 3HB GLU 48 6.912 15.314 -5.160 379 HG2 GLU 48 2HG GLU 48 7.462 13.411 -6.132 380 HG3 GLU 48 3HG GLU 48 6.304 12.544 -5.125 381 H THR 49 HN THR 49 3.994 13.688 -5.460 382 HA THR 49 HA THR 49 2.674 11.817 -5.740 383 HB THR 49 HB THR 49 3.154 10.964 -2.900 384 HG1 THR 49 1HG THR 49 4.920 10.820 -5.104 385 HG21 THR 49 1HG2 THR 49 2.162 9.065 -3.539 386 HG22 THR 49 2HG2 THR 49 3.165 8.947 -4.986 387 HG23 THR 49 3HG2 THR 49 1.689 9.911 -5.011 388 H ALA 50 HN ALA 50 2.521 13.511 -2.641 389 HA ALA 50 HA ALA 50 0.787 14.464 -1.514 390 HB1 ALA 50 1HB ALA 50 -1.143 15.192 -2.723 391 HB2 ALA 50 2HB ALA 50 0.264 15.392 -3.768 392 HB3 ALA 50 3HB ALA 50 -0.834 14.035 -4.017 393 H ILE 51 HN ILE 51 0.984 11.351 -2.276 394 HA ILE 51 HA ILE 51 -0.149 9.428 -1.767 395 HB ILE 51 HB ILE 51 -0.840 11.127 0.632 396 HG12 ILE 51 2HG1 ILE 51 1.048 9.921 1.680 397 HG13 ILE 51 3HG1 ILE 51 1.362 9.106 0.151 398 HG21 ILE 51 1HG2 ILE 51 -2.310 9.111 0.268 399 HG22 ILE 51 2HG2 ILE 51 -0.866 8.123 0.481 400 HG23 ILE 51 3HG2 ILE 51 -1.432 9.152 1.797 401 HD11 ILE 51 1HD1 ILE 51 2.648 11.307 0.939 402 HD12 ILE 51 2HD1 ILE 51 2.359 10.909 -0.756 403 HD13 ILE 51 3HD1 ILE 51 1.302 12.052 0.075 404 H SER 52 HN SER 52 -1.679 9.458 -3.455 405 HA SER 52 HA SER 52 -4.323 10.553 -2.817 406 HB2 SER 52 2HB SER 52 -4.089 9.306 -5.433 407 HB3 SER 52 3HB SER 52 -4.543 10.958 -5.016 408 HG SER 52 HG SER 52 -2.677 11.273 -6.023 409 H CYS 53 HN CYS 53 -6.212 9.280 -3.004 410 HA CYS 53 HA CYS 53 -6.402 6.962 -1.706 411 HB2 CYS 53 2HB CYS 53 -8.356 8.147 -2.585 412 HB3 CYS 53 3HB CYS 53 -7.957 7.621 -4.217 413 HA PRO 54 HA PRO 54 -4.117 3.896 -3.914 414 HB2 PRO 54 2HB PRO 54 -5.109 1.711 -2.645 415 HB3 PRO 54 3HB PRO 54 -3.942 2.808 -1.898 416 HG2 PRO 54 2HG PRO 54 -6.913 2.687 -1.556 417 HG3 PRO 54 3HG PRO 54 -5.654 2.909 -0.327 418 HD2 PRO 54 2HD PRO 54 -7.102 4.971 -1.319 419 HD3 PRO 54 3HD PRO 54 -5.414 5.153 -0.798 420 H ASP 55 HN ASP 55 -7.311 4.564 -4.331 421 HA ASP 55 HA ASP 55 -7.772 2.264 -6.106 422 HB2 ASP 55 2HB ASP 55 -9.526 2.467 -4.485 423 HB3 ASP 55 3HB ASP 55 -9.699 4.190 -4.805 424 H ALA 56 HN ALA 56 -6.328 3.290 -7.674 425 HA ALA 56 HA ALA 56 -6.492 5.732 -8.838 426 HB1 ALA 56 1HB ALA 56 -6.111 4.261 -11.058 427 HB2 ALA 56 2HB ALA 56 -4.855 4.559 -9.855 428 HB3 ALA 56 3HB ALA 56 -5.767 3.050 -9.823 429 H ALA 57 HN ALA 57 -8.888 3.254 -8.941 430 HA ALA 57 HA ALA 57 -10.359 4.629 -11.073 431 HB1 ALA 57 1HB ALA 57 -9.953 1.961 -10.638 432 HB2 ALA 57 2HB ALA 57 -11.566 2.209 -9.966 433 HB3 ALA 57 3HB ALA 57 -11.230 2.649 -11.641 434 H CYS 58 HN CYS 58 -10.099 5.786 -8.426 435 HA CYS 58 HA CYS 58 -12.653 5.399 -7.120 436 HB2 CYS 58 2HB CYS 58 -10.505 5.850 -5.881 437 HB3 CYS 58 3HB CYS 58 -10.554 7.489 -6.522 438 HA PRO 59 HA PRO 59 -14.774 8.486 -9.465 439 HB2 PRO 59 2HB PRO 59 -16.917 8.771 -7.821 440 HB3 PRO 59 3HB PRO 59 -16.699 7.374 -8.881 441 HG2 PRO 59 2HG PRO 59 -16.122 7.641 -5.956 442 HG3 PRO 59 3HG PRO 59 -16.888 6.299 -6.827 443 HD2 PRO 59 2HD PRO 59 -14.289 6.247 -6.066 444 HD3 PRO 59 3HD PRO 59 -14.868 5.444 -7.539 445 H LYS 60 HN LYS 60 -13.552 8.901 -6.292 446 HA LYS 60 HA LYS 60 -13.955 11.814 -6.499 447 HB2 LYS 60 2HB LYS 60 -13.829 10.104 -4.009 448 HB3 LYS 60 3HB LYS 60 -13.843 11.862 -4.007 449 HG2 LYS 60 2HG LYS 60 -16.033 10.940 -5.574 450 HG3 LYS 60 3HG LYS 60 -16.038 10.089 -4.027 451 HD2 LYS 60 2HD LYS 60 -17.314 12.045 -3.687 452 HD3 LYS 60 3HD LYS 60 -15.746 12.363 -2.939 453 HE2 LYS 60 2HE LYS 60 -15.998 13.130 -5.775 454 HE3 LYS 60 3HE LYS 60 -16.983 14.055 -4.643 455 HZ1 LYS 60 1HZ LYS 60 -15.162 15.242 -4.263 456 HZ2 LYS 60 2HZ LYS 60 -14.166 14.150 -5.086 457 HZ3 LYS 60 3HZ LYS 60 -14.528 13.900 -3.452 458 H GLN 61 HN GLN 61 -11.752 9.216 -6.170 459 HA GLN 61 HA GLN 61 -9.506 9.120 -5.637 460 HB2 GLN 61 2HB GLN 61 -9.706 11.391 -7.618 461 HB3 GLN 61 3HB GLN 61 -8.189 10.628 -7.159 462 HG2 GLN 61 2HG GLN 61 -9.424 8.437 -7.873 463 HG3 GLN 61 3HG GLN 61 -10.439 9.553 -8.784 464 HE21 GLN 61 1HE2 GLN 61 -8.603 11.439 -9.548 465 HE22 GLN 61 2HE2 GLN 61 -7.458 10.729 -10.630 466 H GLY 62 HN GLY 62 -10.434 10.144 -3.447 467 HA2 GLY 62 1HA GLY 62 -9.588 12.812 -2.867 468 HA3 GLY 62 2HA GLY 62 -10.107 11.607 -1.697 469 H HIS 63 HN HIS 63 -7.819 13.551 -1.755 470 HA HIS 63 HA HIS 63 -5.507 11.777 -1.770 471 HB2 HIS 63 2HB HIS 63 -5.933 14.712 -1.781 472 HB3 HIS 63 3HB HIS 63 -4.485 14.134 -0.964 473 HD1 HIS 63 1HD HIS 63 -5.592 15.199 -4.171 474 HD2 HIS 63 2HD HIS 63 -2.981 12.267 -2.811 475 HE1 HIS 63 1HE HIS 63 -4.132 14.633 -6.139 476 H LEU 64 HN LEU 64 -3.924 12.085 0.099 477 HA LEU 64 HA LEU 64 -5.413 12.128 2.642 478 HB2 LEU 64 2HB LEU 64 -3.246 10.295 1.675 479 HB3 LEU 64 3HB LEU 64 -3.546 10.525 3.397 480 HG LEU 64 HG LEU 64 -5.827 9.737 1.651 481 HD11 LEU 64 1HD1 LEU 64 -4.944 7.323 2.461 482 HD12 LEU 64 2HD1 LEU 64 -3.411 8.127 2.127 483 HD13 LEU 64 3HD1 LEU 64 -4.634 8.000 0.862 484 HD21 LEU 64 1HD2 LEU 64 -5.927 8.266 3.926 485 HD22 LEU 64 2HD2 LEU 64 -6.672 9.853 3.730 486 HD23 LEU 64 3HD2 LEU 64 -5.087 9.709 4.493 487 H GLN 65 HN GLN 65 -4.086 12.654 4.549 488 HA GLN 65 HA GLN 65 -2.387 14.920 3.973 489 HB2 GLN 65 2HB GLN 65 -2.567 14.114 6.773 490 HB3 GLN 65 3HB GLN 65 -2.972 15.649 6.016 491 HG2 GLN 65 2HG GLN 65 -5.008 14.983 6.824 492 HG3 GLN 65 3HG GLN 65 -5.071 14.372 5.172 493 HE21 GLN 65 1HE2 GLN 65 -3.052 12.282 6.004 494 HE22 GLN 65 2HE2 GLN 65 -3.997 11.076 6.801 495 H GLU 66 HN GLU 66 -0.332 15.197 5.239 496 HA GLU 66 HA GLU 66 1.294 12.805 4.884 497 HB2 GLU 66 2HB GLU 66 1.743 15.682 4.784 498 HB3 GLU 66 3HB GLU 66 2.975 14.848 5.720 499 HG2 GLU 66 2HG GLU 66 2.649 13.293 3.440 500 HG3 GLU 66 3HG GLU 66 2.589 14.960 2.867 501 H ASN 67 HN ASN 67 0.088 14.885 7.407 502 HA ASN 67 HA ASN 67 1.764 13.612 9.424 503 HB2 ASN 67 2HB ASN 67 1.625 15.699 10.248 504 HB3 ASN 67 3HB ASN 67 0.250 16.096 9.221 505 HD21 ASN 67 1HD2 ASN 67 -1.655 16.348 10.154 506 HD22 ASN 67 2HD2 ASN 67 -2.059 15.872 11.765 507 H GLU 68 HN GLU 68 -1.728 14.294 9.119 508 HA GLU 68 HA GLU 68 -2.759 12.735 11.062 509 HB2 GLU 68 2HB GLU 68 -3.708 13.743 8.530 510 HB3 GLU 68 3HB GLU 68 -4.407 12.164 8.857 511 HG2 GLU 68 2HG GLU 68 -4.418 14.185 11.032 512 HG3 GLU 68 3HG GLU 68 -5.545 14.384 9.691 513 H ILE 69 HN ILE 69 -1.555 11.594 7.947 514 HA ILE 69 HA ILE 69 -2.332 8.876 8.354 515 HB ILE 69 HB ILE 69 -0.465 10.209 6.409 516 HG12 ILE 69 2HG1 ILE 69 -3.263 9.318 6.447 517 HG13 ILE 69 3HG1 ILE 69 -2.482 10.537 5.445 518 HG21 ILE 69 1HG2 ILE 69 -0.213 8.032 5.293 519 HG22 ILE 69 2HG2 ILE 69 0.504 8.045 6.904 520 HG23 ILE 69 3HG2 ILE 69 -1.053 7.261 6.638 521 HD11 ILE 69 1HD1 ILE 69 -1.666 8.832 3.949 522 HD12 ILE 69 2HD1 ILE 69 -2.327 7.568 4.987 523 HD13 ILE 69 3HD1 ILE 69 -3.411 8.676 4.145 524 H GLU 70 HN GLU 70 0.929 10.322 8.164 525 HA GLU 70 HA GLU 70 2.366 8.175 9.118 526 HB2 GLU 70 2HB GLU 70 4.155 9.591 9.230 527 HB3 GLU 70 3HB GLU 70 3.073 10.593 8.275 528 HG2 GLU 70 2HG GLU 70 2.430 11.847 10.225 529 HG3 GLU 70 3HG GLU 70 3.378 10.782 11.262 530 H CYS 71 HN CYS 71 0.162 10.142 10.815 531 HA CYS 71 HA CYS 71 1.267 9.773 13.435 532 HB2 CYS 71 2HB CYS 71 -0.085 11.572 13.620 533 HB3 CYS 71 3HB CYS 71 -1.081 11.080 12.256 534 HG CYS 71 HG CYS 71 -2.455 11.376 14.830 535 H MET 72 HN MET 72 -1.044 8.093 11.413 536 HA MET 72 HA MET 72 -1.913 6.347 13.549 537 HB2 MET 72 2HB MET 72 -3.546 5.635 12.125 538 HB3 MET 72 3HB MET 72 -3.180 7.171 11.352 539 HG2 MET 72 2HG MET 72 -1.436 5.671 10.042 540 HG3 MET 72 3HG MET 72 -2.591 4.408 10.464 541 HE1 MET 72 1HE MET 72 -1.777 5.533 7.382 542 HE2 MET 72 2HE MET 72 -2.653 4.068 7.822 543 HE3 MET 72 3HE MET 72 -3.368 5.217 6.690 544 H VAL 73 HN VAL 73 0.894 6.542 11.991 545 HA VAL 73 HA VAL 73 1.371 3.656 12.207 546 HB VAL 73 HB VAL 73 2.928 3.902 10.185 547 HG11 VAL 73 1HG1 VAL 73 0.004 4.135 9.534 548 HG12 VAL 73 2HG1 VAL 73 1.242 3.191 8.704 549 HG13 VAL 73 3HG1 VAL 73 0.689 2.707 10.307 550 HG21 VAL 73 1HG2 VAL 73 3.114 6.001 9.426 551 HG22 VAL 73 2HG2 VAL 73 1.555 5.714 8.656 552 HG23 VAL 73 3HG2 VAL 73 1.629 6.519 10.224 553 H ALA 74 HN ALA 74 3.086 6.694 11.444 554 HA ALA 74 HA ALA 74 5.296 5.815 13.157 555 HB1 ALA 74 1HB ALA 74 5.601 8.330 11.675 556 HB2 ALA 74 2HB ALA 74 6.692 6.950 11.813 557 HB3 ALA 74 3HB ALA 74 5.349 6.902 10.670 558 H ALA 75 HN ALA 75 3.148 6.468 14.649 559 HA ALA 75 HA ALA 75 2.569 9.000 15.410 560 HB1 ALA 75 1HB ALA 75 2.427 8.073 17.784 561 HB2 ALA 75 2HB ALA 75 1.461 7.275 16.542 562 HB3 ALA 75 3HB ALA 75 2.970 6.546 17.089 Start of MODEL 2 1 H1 ALA 1 HN ALA 1 -23.501 -7.488 0.157 2 HA ALA 1 HA ALA 1 -25.650 -8.280 -1.645 3 HB1 ALA 1 1HB ALA 1 -22.916 -9.351 -2.010 4 HB2 ALA 1 2HB ALA 1 -24.057 -8.715 -3.197 5 HB3 ALA 1 3HB ALA 1 -23.124 -7.609 -2.190 6 H LEU 2 HN LEU 2 -23.065 -9.958 0.161 7 HA LEU 2 HA LEU 2 -24.951 -12.125 0.728 8 HB2 LEU 2 2HB LEU 2 -22.252 -12.412 -0.563 9 HB3 LEU 2 3HB LEU 2 -23.048 -13.746 0.269 10 HG LEU 2 HG LEU 2 -24.912 -12.716 -1.582 11 HD11 LEU 2 1HD1 LEU 2 -23.067 -11.628 -2.739 12 HD12 LEU 2 2HD1 LEU 2 -23.708 -12.966 -3.693 13 HD13 LEU 2 3HD1 LEU 2 -22.194 -13.160 -2.810 14 HD21 LEU 2 1HD2 LEU 2 -23.207 -15.203 -1.690 15 HD22 LEU 2 2HD2 LEU 2 -24.716 -14.935 -2.562 16 HD23 LEU 2 3HD2 LEU 2 -24.722 -15.031 -0.801 17 H ASP 3 HN ASP 3 -21.509 -11.316 1.225 18 HA ASP 3 HA ASP 3 -21.777 -12.125 4.026 19 HB2 ASP 3 2HB ASP 3 -19.703 -12.351 2.082 20 HB3 ASP 3 3HB ASP 3 -19.106 -11.353 3.405 21 HA PRO 4 HA PRO 4 -21.824 -7.990 5.517 22 HB2 PRO 4 2HB PRO 4 -20.746 -8.377 7.978 23 HB3 PRO 4 3HB PRO 4 -22.386 -8.884 7.557 24 HG2 PRO 4 2HG PRO 4 -19.876 -10.510 7.684 25 HG3 PRO 4 3HG PRO 4 -21.503 -10.917 8.260 26 HD2 PRO 4 2HD PRO 4 -20.510 -11.851 5.921 27 HD3 PRO 4 3HD PRO 4 -22.236 -11.510 6.158 28 H LEU 5 HN LEU 5 -18.799 -9.787 6.048 29 HA LEU 5 HA LEU 5 -17.146 -7.556 6.462 30 HB2 LEU 5 2HB LEU 5 -16.159 -10.050 5.140 31 HB3 LEU 5 3HB LEU 5 -15.343 -9.013 6.308 32 HG LEU 5 HG LEU 5 -17.488 -9.997 7.733 33 HD11 LEU 5 1HD1 LEU 5 -17.417 -11.622 5.550 34 HD12 LEU 5 2HD1 LEU 5 -18.035 -12.083 7.136 35 HD13 LEU 5 3HD1 LEU 5 -16.380 -12.492 6.681 36 HD21 LEU 5 1HD2 LEU 5 -15.857 -11.124 9.013 37 HD22 LEU 5 2HD2 LEU 5 -15.051 -9.704 8.348 38 HD23 LEU 5 3HD2 LEU 5 -14.776 -11.292 7.630 39 H VAL 6 HN VAL 6 -15.090 -8.280 4.467 40 HA VAL 6 HA VAL 6 -14.358 -7.616 2.416 41 HB VAL 6 HB VAL 6 -17.274 -7.882 1.674 42 HG11 VAL 6 1HG1 VAL 6 -15.063 -6.769 0.214 43 HG12 VAL 6 2HG1 VAL 6 -15.661 -8.223 -0.588 44 HG13 VAL 6 3HG1 VAL 6 -16.761 -6.887 -0.245 45 HG21 VAL 6 1HG2 VAL 6 -16.632 -10.018 0.733 46 HG22 VAL 6 2HG2 VAL 6 -14.951 -9.746 1.189 47 HG23 VAL 6 3HG2 VAL 6 -16.178 -9.958 2.437 48 H SER 7 HN SER 7 -13.727 -5.657 1.771 49 HA SER 7 HA SER 7 -15.481 -3.470 1.343 50 HB2 SER 7 2HB SER 7 -14.441 -3.808 4.029 51 HB3 SER 7 3HB SER 7 -13.895 -2.286 3.324 52 HG SER 7 HG SER 7 -16.592 -3.171 3.407 53 H CYS 8 HN CYS 8 -12.178 -4.478 2.106 54 HA CYS 8 HA CYS 8 -10.909 -2.304 0.791 55 HB2 CYS 8 2HB CYS 8 -9.895 -3.844 2.548 56 HB3 CYS 8 3HB CYS 8 -9.703 -5.029 1.261 57 H LYS 9 HN LYS 9 -9.598 -2.445 -1.154 58 HA LYS 9 HA LYS 9 -10.433 -4.498 -3.069 59 HB2 LYS 9 2HB LYS 9 -10.570 -2.570 -4.791 60 HB3 LYS 9 3HB LYS 9 -11.933 -2.837 -3.711 61 HG2 LYS 9 2HG LYS 9 -10.447 -1.071 -2.274 62 HG3 LYS 9 3HG LYS 9 -10.118 -0.552 -3.929 63 HD2 LYS 9 2HD LYS 9 -12.938 -1.136 -3.207 64 HD3 LYS 9 3HD LYS 9 -12.214 0.334 -2.548 65 HE2 LYS 9 2HE LYS 9 -12.380 1.370 -4.510 66 HE3 LYS 9 3HE LYS 9 -11.571 0.042 -5.341 67 HZ1 LYS 9 1HZ LYS 9 -14.145 0.749 -5.698 68 HZ2 LYS 9 2HZ LYS 9 -14.296 -0.525 -4.595 69 HZ3 LYS 9 3HZ LYS 9 -13.504 -0.772 -6.069 70 H LEU 10 HN LEU 10 -7.957 -3.457 -1.511 71 HA LEU 10 HA LEU 10 -6.151 -3.078 -3.791 72 HB2 LEU 10 2HB LEU 10 -5.716 -2.697 -0.834 73 HB3 LEU 10 3HB LEU 10 -4.479 -2.461 -2.068 74 HG LEU 10 HG LEU 10 -7.039 -0.873 -1.925 75 HD11 LEU 10 1HD1 LEU 10 -4.319 0.084 -1.087 76 HD12 LEU 10 2HD1 LEU 10 -5.461 -0.622 0.055 77 HD13 LEU 10 3HD1 LEU 10 -5.888 0.847 -0.823 78 HD21 LEU 10 1HD2 LEU 10 -6.160 0.462 -3.605 79 HD22 LEU 10 2HD2 LEU 10 -5.684 -1.160 -4.110 80 HD23 LEU 10 3HD2 LEU 10 -4.511 -0.098 -3.329 81 H CYS 11 HN CYS 11 -6.957 -5.270 -1.210 82 HA CYS 11 HA CYS 11 -4.888 -7.123 -2.196 83 HB2 CYS 11 2HB CYS 11 -4.709 -8.041 0.070 84 HB3 CYS 11 3HB CYS 11 -4.326 -6.322 0.055 85 H LEU 12 HN LEU 12 -8.073 -6.540 -2.216 86 HA LEU 12 HA LEU 12 -9.978 -7.777 -2.426 87 HB2 LEU 12 2HB LEU 12 -7.869 -9.562 -3.592 88 HB3 LEU 12 3HB LEU 12 -9.567 -10.036 -3.574 89 HG LEU 12 HG LEU 12 -8.560 -7.513 -4.878 90 HD11 LEU 12 1HD1 LEU 12 -9.417 -9.699 -6.611 91 HD12 LEU 12 2HD1 LEU 12 -7.932 -10.035 -5.722 92 HD13 LEU 12 3HD1 LEU 12 -8.038 -8.609 -6.753 93 HD21 LEU 12 1HD2 LEU 12 -11.178 -8.814 -4.520 94 HD22 LEU 12 2HD2 LEU 12 -10.840 -8.203 -6.139 95 HD23 LEU 12 3HD2 LEU 12 -10.774 -7.114 -4.753 96 H GLY 13 HN GLY 13 -9.780 -7.795 0.056 97 HA2 GLY 13 1HA GLY 13 -9.905 -10.616 0.917 98 HA3 GLY 13 2HA GLY 13 -9.072 -9.411 1.890 99 H GLU 14 HN GLU 14 -10.687 -10.355 3.471 100 HA GLU 14 HA GLU 14 -13.349 -9.163 3.180 101 HB2 GLU 14 2HB GLU 14 -12.279 -11.258 5.074 102 HB3 GLU 14 3HB GLU 14 -13.898 -10.582 5.186 103 HG2 GLU 14 2HG GLU 14 -14.418 -11.424 2.962 104 HG3 GLU 14 3HG GLU 14 -12.789 -12.084 2.826 105 H TYR 15 HN TYR 15 -11.554 -9.838 6.150 106 HA TYR 15 HA TYR 15 -11.080 -8.560 7.970 107 HB2 TYR 15 2HB TYR 15 -10.999 -6.155 6.164 108 HB3 TYR 15 3HB TYR 15 -10.048 -6.474 7.609 109 HD1 TYR 15 1HD TYR 15 -8.300 -8.322 7.507 110 HD2 TYR 15 2HD TYR 15 -10.185 -6.731 4.040 111 HE1 TYR 15 1HE TYR 15 -6.477 -9.212 6.115 112 HE2 TYR 15 2HE TYR 15 -8.368 -7.617 2.639 113 HH TYR 15 HH TYR 15 -5.618 -8.291 3.401 114 HA PRO 16 HA PRO 16 -14.895 -6.899 9.384 115 HB2 PRO 16 2HB PRO 16 -14.036 -5.551 11.578 116 HB3 PRO 16 3HB PRO 16 -14.128 -7.315 11.510 117 HG2 PRO 16 2HG PRO 16 -11.756 -5.525 11.143 118 HG3 PRO 16 3HG PRO 16 -11.881 -7.046 12.047 119 HD2 PRO 16 2HD PRO 16 -10.801 -6.909 9.567 120 HD3 PRO 16 3HD PRO 16 -11.683 -8.336 10.147 121 H VAL 17 HN VAL 17 -15.377 -4.551 10.679 122 HA VAL 17 HA VAL 17 -14.879 -2.580 8.563 123 HB VAL 17 HB VAL 17 -17.116 -3.082 10.418 124 HG11 VAL 17 1HG1 VAL 17 -16.366 -0.951 11.297 125 HG12 VAL 17 2HG1 VAL 17 -16.317 -0.271 9.669 126 HG13 VAL 17 3HG1 VAL 17 -17.860 -0.736 10.386 127 HG21 VAL 17 1HG2 VAL 17 -17.488 -3.534 8.135 128 HG22 VAL 17 2HG2 VAL 17 -18.340 -2.025 8.460 129 HG23 VAL 17 3HG2 VAL 17 -16.783 -1.997 7.634 130 H GLU 18 HN GLU 18 -13.905 -3.383 11.689 131 HA GLU 18 HA GLU 18 -13.269 -0.633 12.438 132 HB2 GLU 18 2HB GLU 18 -13.682 -3.133 13.863 133 HB3 GLU 18 3HB GLU 18 -12.208 -2.326 14.377 134 HG2 GLU 18 2HG GLU 18 -13.422 -0.341 14.948 135 HG3 GLU 18 3HG GLU 18 -14.907 -1.002 14.268 136 H GLN 19 HN GLN 19 -11.880 -3.115 10.713 137 HA GLN 19 HA GLN 19 -9.140 -2.445 11.493 138 HB2 GLN 19 2HB GLN 19 -10.388 -4.687 9.950 139 HB3 GLN 19 3HB GLN 19 -8.684 -4.319 9.717 140 HG2 GLN 19 2HG GLN 19 -8.258 -4.666 12.077 141 HG3 GLN 19 3HG GLN 19 -9.972 -4.963 12.359 142 HE21 GLN 19 1HE2 GLN 19 -9.686 -7.025 13.128 143 HE22 GLN 19 2HE2 GLN 19 -9.193 -8.343 12.127 144 H MET 20 HN MET 20 -11.321 -1.099 9.570 145 HA MET 20 HA MET 20 -9.425 -0.550 7.385 146 HB2 MET 20 2HB MET 20 -12.150 0.389 6.960 147 HB3 MET 20 3HB MET 20 -11.130 -0.601 5.926 148 HG2 MET 20 2HG MET 20 -11.729 -2.445 7.727 149 HG3 MET 20 3HG MET 20 -13.135 -1.407 7.952 150 HE1 MET 20 1HE MET 20 -11.533 -2.536 4.042 151 HE2 MET 20 2HE MET 20 -10.827 -2.995 5.592 152 HE3 MET 20 3HE MET 20 -11.860 -4.131 4.722 153 H THR 21 HN THR 21 -9.653 1.697 6.450 154 HA THR 21 HA THR 21 -10.344 3.710 8.464 155 HB THR 21 HB THR 21 -7.652 3.496 7.111 156 HG1 THR 21 1HG THR 21 -7.727 3.964 9.797 157 HG21 THR 21 1HG2 THR 21 -7.179 5.621 8.429 158 HG22 THR 21 2HG2 THR 21 -8.928 5.785 8.592 159 HG23 THR 21 3HG2 THR 21 -8.186 5.795 6.992 160 H THR 22 HN THR 22 -10.850 5.748 7.633 161 HA THR 22 HA THR 22 -11.684 5.723 4.854 162 HB THR 22 HB THR 22 -12.025 8.034 6.755 163 HG1 THR 22 1HG THR 22 -12.827 6.123 7.763 164 HG21 THR 22 1HG2 THR 22 -13.553 8.823 5.276 165 HG22 THR 22 2HG2 THR 22 -14.109 7.212 4.826 166 HG23 THR 22 3HG2 THR 22 -12.619 7.855 4.136 167 H ILE 23 HN ILE 23 -11.047 7.210 3.285 168 HA ILE 23 HA ILE 23 -8.328 7.975 3.331 169 HB ILE 23 HB ILE 23 -10.600 8.528 1.458 170 HG12 ILE 23 2HG1 ILE 23 -9.580 6.369 1.237 171 HG13 ILE 23 3HG1 ILE 23 -9.029 7.351 -0.117 172 HG21 ILE 23 1HG2 ILE 23 -8.691 9.574 0.007 173 HG22 ILE 23 2HG2 ILE 23 -9.569 10.561 1.175 174 HG23 ILE 23 3HG2 ILE 23 -7.973 9.931 1.578 175 HD11 ILE 23 1HD1 ILE 23 -6.989 7.844 1.387 176 HD12 ILE 23 2HD1 ILE 23 -7.515 6.415 2.276 177 HD13 ILE 23 3HD1 ILE 23 -7.104 6.288 0.566 178 H ALA 24 HN ALA 24 -11.234 9.582 4.298 179 HA ALA 24 HA ALA 24 -11.482 11.501 5.535 180 HB1 ALA 24 1HB ALA 24 -9.709 12.329 6.623 181 HB2 ALA 24 2HB ALA 24 -8.820 11.005 5.873 182 HB3 ALA 24 3HB ALA 24 -8.804 12.606 5.135 183 H GLN 25 HN GLN 25 -11.063 11.155 2.399 184 HA GLN 25 HA GLN 25 -11.725 13.947 1.842 185 HB2 GLN 25 2HB GLN 25 -9.321 12.537 0.920 186 HB3 GLN 25 3HB GLN 25 -10.237 13.302 -0.371 187 HG2 GLN 25 2HG GLN 25 -8.534 14.800 0.437 188 HG3 GLN 25 3HG GLN 25 -10.131 15.435 0.831 189 HE21 GLN 25 1HE2 GLN 25 -7.741 13.238 2.276 190 HE22 GLN 25 2HE2 GLN 25 -7.826 13.916 3.862 191 H CYS 26 HN CYS 26 -11.158 10.889 0.086 192 HA CYS 26 HA CYS 26 -13.452 11.382 -1.602 193 HB2 CYS 26 2HB CYS 26 -12.811 9.246 -2.680 194 HB3 CYS 26 3HB CYS 26 -11.474 10.389 -2.600 195 H GLN 27 HN GLN 27 -12.755 9.680 1.300 196 HA GLN 27 HA GLN 27 -14.146 8.610 2.765 197 HB2 GLN 27 2HB GLN 27 -16.385 8.827 0.766 198 HB3 GLN 27 3HB GLN 27 -16.493 8.700 2.516 199 HG2 GLN 27 2HG GLN 27 -15.250 11.067 1.157 200 HG3 GLN 27 3HG GLN 27 -16.980 10.962 1.484 201 HE21 GLN 27 1HE2 GLN 27 -13.802 11.196 2.891 202 HE22 GLN 27 2HE2 GLN 27 -14.317 11.684 4.465 203 H CYS 28 HN CYS 28 -12.502 7.042 1.483 204 HA CYS 28 HA CYS 28 -14.072 4.845 0.323 205 HB2 CYS 28 2HB CYS 28 -11.164 5.599 0.118 206 HB3 CYS 28 3HB CYS 28 -11.736 3.998 -0.339 207 H ILE 29 HN ILE 29 -12.597 2.679 0.749 208 HA ILE 29 HA ILE 29 -12.032 2.528 3.622 209 HB ILE 29 HB ILE 29 -14.436 1.695 2.777 210 HG12 ILE 29 2HG1 ILE 29 -14.342 0.053 4.729 211 HG13 ILE 29 3HG1 ILE 29 -12.641 0.481 4.879 212 HG21 ILE 29 1HG2 ILE 29 -14.495 -0.651 2.341 213 HG22 ILE 29 2HG2 ILE 29 -13.358 0.078 1.207 214 HG23 ILE 29 3HG2 ILE 29 -12.759 -0.801 2.614 215 HD11 ILE 29 1HD1 ILE 29 -14.229 1.692 6.402 216 HD12 ILE 29 2HD1 ILE 29 -13.161 2.713 5.438 217 HD13 ILE 29 3HD1 ILE 29 -14.849 2.513 4.970 218 H PHE 30 HN PHE 30 -10.213 1.455 4.034 219 HA PHE 30 HA PHE 30 -9.360 -0.749 2.361 220 HB2 PHE 30 2HB PHE 30 -7.590 1.683 2.683 221 HB3 PHE 30 3HB PHE 30 -7.175 0.195 1.839 222 HD1 PHE 30 1HD PHE 30 -8.362 -0.392 -0.267 223 HD2 PHE 30 2HD PHE 30 -8.825 3.391 1.627 224 HE1 PHE 30 1HE PHE 30 -9.266 0.540 -2.358 225 HE2 PHE 30 2HE PHE 30 -9.731 4.329 -0.459 226 HZ PHE 30 HZ PHE 30 -9.953 2.903 -2.455 227 H CYS 31 HN CYS 31 -8.368 -2.262 3.543 228 HA CYS 31 HA CYS 31 -8.218 -2.124 6.319 229 HB2 CYS 31 2HB CYS 31 -7.163 -4.248 6.250 230 HB3 CYS 31 3HB CYS 31 -8.241 -4.203 4.859 231 H THR 32 HN THR 32 -6.758 -1.373 7.722 232 HA THR 32 HA THR 32 -4.890 0.476 7.306 233 HB THR 32 HB THR 32 -4.553 -1.815 9.252 234 HG1 THR 32 1HG THR 32 -6.159 0.427 9.175 235 HG21 THR 32 1HG2 THR 32 -3.115 -0.321 10.517 236 HG22 THR 32 2HG2 THR 32 -3.323 0.943 9.304 237 HG23 THR 32 3HG2 THR 32 -2.466 -0.542 8.892 238 H LEU 33 HN LEU 33 -4.144 -3.007 7.218 239 HA LEU 33 HA LEU 33 -1.499 -3.063 6.732 240 HB2 LEU 33 2HB LEU 33 -3.758 -4.657 5.643 241 HB3 LEU 33 3HB LEU 33 -2.163 -4.893 4.932 242 HG LEU 33 HG LEU 33 -2.834 -6.511 6.752 243 HD11 LEU 33 1HD1 LEU 33 -0.539 -6.031 7.991 244 HD12 LEU 33 2HD1 LEU 33 -0.323 -4.940 6.623 245 HD13 LEU 33 3HD1 LEU 33 -0.604 -6.658 6.343 246 HD21 LEU 33 1HD2 LEU 33 -3.861 -5.328 8.428 247 HD22 LEU 33 2HD2 LEU 33 -2.751 -3.963 8.297 248 HD23 LEU 33 3HD2 LEU 33 -2.224 -5.457 9.074 249 H CYS 34 HN CYS 34 -3.763 -3.027 3.976 250 HA CYS 34 HA CYS 34 -1.834 -2.278 2.082 251 HB2 CYS 34 2HB CYS 34 -4.805 -1.740 1.920 252 HB3 CYS 34 3HB CYS 34 -3.680 -1.898 0.575 253 H LEU 35 HN LEU 35 -4.496 -0.261 3.345 254 HA LEU 35 HA LEU 35 -3.750 2.158 2.311 255 HB2 LEU 35 2HB LEU 35 -5.796 1.597 3.684 256 HB3 LEU 35 3HB LEU 35 -4.794 1.830 5.115 257 HG LEU 35 HG LEU 35 -4.436 4.171 4.472 258 HD11 LEU 35 1HD1 LEU 35 -6.198 3.426 2.153 259 HD12 LEU 35 2HD1 LEU 35 -4.579 4.123 2.114 260 HD13 LEU 35 3HD1 LEU 35 -5.943 5.092 2.672 261 HD21 LEU 35 1HD2 LEU 35 -6.874 2.979 5.342 262 HD22 LEU 35 2HD2 LEU 35 -7.251 4.392 4.355 263 HD23 LEU 35 3HD2 LEU 35 -6.198 4.554 5.761 264 H LYS 36 HN LYS 36 -2.124 0.337 4.713 265 HA LYS 36 HA LYS 36 -0.593 2.621 5.680 266 HB2 LYS 36 2HB LYS 36 -1.239 1.048 7.370 267 HB3 LYS 36 3HB LYS 36 -0.607 -0.302 6.436 268 HG2 LYS 36 2HG LYS 36 1.598 1.294 6.721 269 HG3 LYS 36 3HG LYS 36 0.755 1.525 8.255 270 HD2 LYS 36 2HD LYS 36 0.546 -1.080 8.198 271 HD3 LYS 36 3HD LYS 36 1.900 -0.969 7.072 272 HE2 LYS 36 2HE LYS 36 2.976 0.531 8.878 273 HE3 LYS 36 3HE LYS 36 1.768 -0.165 9.957 274 HZ1 LYS 36 1HZ LYS 36 3.801 -1.668 8.399 275 HZ2 LYS 36 2HZ LYS 36 2.603 -2.374 9.362 276 HZ3 LYS 36 3HZ LYS 36 3.804 -1.418 10.072 277 H GLN 37 HN GLN 37 0.406 -0.644 4.662 278 HA GLN 37 HA GLN 37 3.003 -0.204 4.069 279 HB2 GLN 37 2HB GLN 37 1.118 -2.192 3.448 280 HB3 GLN 37 3HB GLN 37 1.871 -1.760 1.919 281 HG2 GLN 37 2HG GLN 37 3.864 -2.633 2.494 282 HG3 GLN 37 3HG GLN 37 3.704 -2.167 4.186 283 HE21 GLN 37 1HE2 GLN 37 1.404 -3.374 4.931 284 HE22 GLN 37 2HE2 GLN 37 1.560 -5.091 4.817 285 H TYR 38 HN TYR 38 0.285 1.044 2.341 286 HA TYR 38 HA TYR 38 1.787 1.746 -0.022 287 HB2 TYR 38 2HB TYR 38 -0.316 1.630 -0.804 288 HB3 TYR 38 3HB TYR 38 -1.006 1.765 0.810 289 HD1 TYR 38 1HD TYR 38 -2.623 3.410 0.823 290 HD2 TYR 38 2HD TYR 38 0.997 4.117 -1.298 291 HE1 TYR 38 1HE TYR 38 -3.375 5.696 0.315 292 HE2 TYR 38 2HE TYR 38 0.255 6.405 -1.812 293 HH TYR 38 HH TYR 38 -2.974 7.472 -1.198 294 H VAL 39 HN VAL 39 -0.063 3.747 2.282 295 HA VAL 39 HA VAL 39 1.196 6.161 1.579 296 HB VAL 39 HB VAL 39 0.172 7.127 3.532 297 HG11 VAL 39 1HG1 VAL 39 -1.285 6.556 1.631 298 HG12 VAL 39 2HG1 VAL 39 -1.653 5.010 2.398 299 HG13 VAL 39 3HG1 VAL 39 -2.144 6.519 3.169 300 HG21 VAL 39 1HG2 VAL 39 -1.044 5.624 5.153 301 HG22 VAL 39 2HG2 VAL 39 -0.155 4.276 4.444 302 HG23 VAL 39 3HG2 VAL 39 0.716 5.582 5.246 303 H GLU 40 HN GLU 40 1.724 4.012 4.371 304 HA GLU 40 HA GLU 40 3.618 5.323 5.782 305 HB2 GLU 40 2HB GLU 40 2.690 2.773 5.792 306 HB3 GLU 40 3HB GLU 40 4.341 2.511 5.246 307 HG2 GLU 40 2HG GLU 40 4.428 4.309 7.430 308 HG3 GLU 40 3HG GLU 40 3.389 2.958 7.877 309 H LEU 41 HN LEU 41 3.999 3.964 2.607 310 HA LEU 41 HA LEU 41 6.881 4.231 2.614 311 HB2 LEU 41 2HB LEU 41 4.831 3.136 0.811 312 HB3 LEU 41 3HB LEU 41 6.234 3.844 0.014 313 HG LEU 41 HG LEU 41 6.444 1.415 0.314 314 HD11 LEU 41 1HD1 LEU 41 8.385 2.974 2.013 315 HD12 LEU 41 2HD1 LEU 41 8.436 2.860 0.254 316 HD13 LEU 41 3HD1 LEU 41 8.677 1.416 1.239 317 HD21 LEU 41 1HD2 LEU 41 5.217 1.752 2.691 318 HD22 LEU 41 2HD2 LEU 41 6.898 1.645 3.216 319 HD23 LEU 41 3HD2 LEU 41 6.181 0.336 2.275 320 H LEU 42 HN LEU 42 4.093 5.896 1.224 321 HA LEU 42 HA LEU 42 5.791 7.878 -0.048 322 HB2 LEU 42 2HB LEU 42 2.838 7.380 0.035 323 HB3 LEU 42 3HB LEU 42 3.483 8.900 -0.582 324 HG LEU 42 HG LEU 42 4.375 6.267 -1.711 325 HD11 LEU 42 1HD1 LEU 42 2.179 5.942 -2.189 326 HD12 LEU 42 2HD1 LEU 42 2.589 7.015 -3.528 327 HD13 LEU 42 3HD1 LEU 42 1.787 7.659 -2.096 328 HD21 LEU 42 1HD2 LEU 42 5.726 7.769 -2.703 329 HD22 LEU 42 2HD2 LEU 42 4.651 9.125 -2.358 330 HD23 LEU 42 3HD2 LEU 42 4.321 8.062 -3.727 331 H ILE 43 HN ILE 43 3.036 8.051 2.216 332 HA ILE 43 HA ILE 43 3.140 10.623 3.016 333 HB ILE 43 HB ILE 43 1.970 8.333 4.039 334 HG12 ILE 43 2HG1 ILE 43 1.145 10.276 5.770 335 HG13 ILE 43 3HG1 ILE 43 1.819 11.244 4.464 336 HG21 ILE 43 1HG2 ILE 43 3.848 8.002 5.556 337 HG22 ILE 43 2HG2 ILE 43 3.631 9.631 6.193 338 HG23 ILE 43 3HG2 ILE 43 2.383 8.412 6.449 339 HD11 ILE 43 1HD1 ILE 43 -0.719 10.147 4.592 340 HD12 ILE 43 2HD1 ILE 43 0.055 10.866 3.180 341 HD13 ILE 43 3HD1 ILE 43 0.148 9.125 3.446 342 H LYS 44 HN LYS 44 5.541 8.213 3.639 343 HA LYS 44 HA LYS 44 6.850 9.630 5.766 344 HB2 LYS 44 2HB LYS 44 7.039 7.060 4.562 345 HB3 LYS 44 3HB LYS 44 8.626 7.811 4.461 346 HG2 LYS 44 2HG LYS 44 8.357 6.468 6.489 347 HG3 LYS 44 3HG LYS 44 8.648 8.171 6.852 348 HD2 LYS 44 2HD LYS 44 6.890 7.897 8.243 349 HD3 LYS 44 3HD LYS 44 5.951 8.152 6.770 350 HE2 LYS 44 2HE LYS 44 5.151 6.074 6.824 351 HE3 LYS 44 3HE LYS 44 6.760 5.389 7.051 352 HZ1 LYS 44 1HZ LYS 44 4.740 6.084 9.036 353 HZ2 LYS 44 2HZ LYS 44 6.354 6.341 9.468 354 HZ3 LYS 44 3HZ LYS 44 5.836 4.796 9.014 355 H GLU 45 HN GLU 45 7.634 9.011 2.343 356 HA GLU 45 HA GLU 45 9.895 10.742 2.340 357 HB2 GLU 45 2HB GLU 45 8.927 8.804 0.649 358 HB3 GLU 45 3HB GLU 45 8.606 10.277 -0.254 359 HG2 GLU 45 2HG GLU 45 10.694 10.014 -0.995 360 HG3 GLU 45 3HG GLU 45 11.151 10.718 0.554 361 H GLY 46 HN GLY 46 6.621 11.059 0.960 362 HA2 GLY 46 1HA GLY 46 5.430 12.912 0.307 363 HA3 GLY 46 2HA GLY 46 6.182 13.687 1.694 364 H LEU 47 HN LEU 47 7.355 12.568 -1.484 365 HA LEU 47 HA LEU 47 8.967 14.966 -1.732 366 HB2 LEU 47 2HB LEU 47 9.692 13.896 -3.878 367 HB3 LEU 47 3HB LEU 47 10.032 12.970 -2.418 368 HG LEU 47 HG LEU 47 7.528 12.334 -3.877 369 HD11 LEU 47 1HD1 LEU 47 9.454 12.654 -5.561 370 HD12 LEU 47 2HD1 LEU 47 8.523 11.158 -5.612 371 HD13 LEU 47 3HD1 LEU 47 10.114 11.181 -4.851 372 HD21 LEU 47 1HD2 LEU 47 9.298 11.148 -1.924 373 HD22 LEU 47 2HD2 LEU 47 8.989 10.049 -3.268 374 HD23 LEU 47 3HD2 LEU 47 7.641 10.721 -2.350 375 H GLU 48 HN GLU 48 5.925 13.777 -2.822 376 HA GLU 48 HA GLU 48 4.876 16.120 -3.702 377 HB2 GLU 48 2HB GLU 48 5.079 15.691 -6.278 378 HB3 GLU 48 3HB GLU 48 6.351 16.553 -5.422 379 HG2 GLU 48 2HG GLU 48 7.865 14.997 -5.891 380 HG3 GLU 48 3HG GLU 48 6.778 13.683 -5.441 381 H THR 49 HN THR 49 5.121 12.696 -4.055 382 HA THR 49 HA THR 49 3.008 11.923 -5.566 383 HB THR 49 HB THR 49 3.565 10.733 -2.844 384 HG1 THR 49 1HG THR 49 5.042 10.749 -5.198 385 HG21 THR 49 1HG2 THR 49 1.692 10.076 -4.827 386 HG22 THR 49 2HG2 THR 49 2.152 9.110 -3.425 387 HG23 THR 49 3HG2 THR 49 2.978 8.878 -4.965 388 H ALA 50 HN ALA 50 2.868 13.618 -2.548 389 HA ALA 50 HA ALA 50 1.151 14.450 -1.305 390 HB1 ALA 50 1HB ALA 50 0.534 15.710 -3.187 391 HB2 ALA 50 2HB ALA 50 -0.115 14.299 -4.023 392 HB3 ALA 50 3HB ALA 50 -0.963 14.963 -2.628 393 H ILE 51 HN ILE 51 1.382 11.404 -1.955 394 HA ILE 51 HA ILE 51 0.166 9.475 -1.613 395 HB ILE 51 HB ILE 51 -0.513 11.119 0.826 396 HG12 ILE 51 2HG1 ILE 51 1.347 9.949 1.865 397 HG13 ILE 51 3HG1 ILE 51 1.599 8.993 0.408 398 HG21 ILE 51 1HG2 ILE 51 -1.158 9.120 1.931 399 HG22 ILE 51 2HG2 ILE 51 -2.040 9.168 0.406 400 HG23 ILE 51 3HG2 ILE 51 -0.630 8.123 0.575 401 HD11 ILE 51 1HD1 ILE 51 3.072 11.101 0.960 402 HD12 ILE 51 2HD1 ILE 51 2.619 10.698 -0.697 403 HD13 ILE 51 3HD1 ILE 51 1.734 11.947 0.181 404 H SER 52 HN SER 52 -1.351 9.549 -3.300 405 HA SER 52 HA SER 52 -3.982 10.675 -2.656 406 HB2 SER 52 2HB SER 52 -4.379 10.052 -5.159 407 HB3 SER 52 3HB SER 52 -3.382 11.453 -4.772 408 HG SER 52 HG SER 52 -2.453 8.848 -5.414 409 H CYS 53 HN CYS 53 -5.887 9.433 -2.943 410 HA CYS 53 HA CYS 53 -6.132 7.074 -1.733 411 HB2 CYS 53 2HB CYS 53 -8.052 8.311 -2.615 412 HB3 CYS 53 3HB CYS 53 -7.621 7.837 -4.255 413 HA PRO 54 HA PRO 54 -3.827 4.062 -3.993 414 HB2 PRO 54 2HB PRO 54 -4.871 1.845 -2.823 415 HB3 PRO 54 3HB PRO 54 -3.710 2.903 -2.012 416 HG2 PRO 54 2HG PRO 54 -6.690 2.802 -1.743 417 HG3 PRO 54 3HG PRO 54 -5.457 2.967 -0.480 418 HD2 PRO 54 2HD PRO 54 -6.861 5.078 -1.431 419 HD3 PRO 54 3HD PRO 54 -5.185 5.223 -0.866 420 H ASP 55 HN ASP 55 -7.004 4.777 -4.458 421 HA ASP 55 HA ASP 55 -7.452 2.541 -6.317 422 HB2 ASP 55 2HB ASP 55 -9.194 2.893 -4.590 423 HB3 ASP 55 3HB ASP 55 -9.458 4.520 -5.214 424 H ALA 56 HN ALA 56 -6.223 3.316 -8.038 425 HA ALA 56 HA ALA 56 -6.242 5.895 -9.080 426 HB1 ALA 56 1HB ALA 56 -4.757 5.008 -10.468 427 HB2 ALA 56 2HB ALA 56 -5.113 3.423 -9.777 428 HB3 ALA 56 3HB ALA 56 -5.991 3.982 -11.201 429 H ALA 57 HN ALA 57 -8.747 3.633 -9.011 430 HA ALA 57 HA ALA 57 -10.114 4.882 -11.295 431 HB1 ALA 57 1HB ALA 57 -9.860 2.380 -11.228 432 HB2 ALA 57 2HB ALA 57 -10.957 2.382 -9.847 433 HB3 ALA 57 3HB ALA 57 -11.512 2.969 -11.415 434 H CYS 58 HN CYS 58 -9.778 5.803 -8.378 435 HA CYS 58 HA CYS 58 -12.342 5.718 -7.176 436 HB2 CYS 58 2HB CYS 58 -10.128 6.232 -6.037 437 HB3 CYS 58 3HB CYS 58 -10.252 7.848 -6.727 438 HA PRO 59 HA PRO 59 -14.459 8.683 -9.677 439 HB2 PRO 59 2HB PRO 59 -16.577 9.092 -8.027 440 HB3 PRO 59 3HB PRO 59 -16.388 7.631 -9.005 441 HG2 PRO 59 2HG PRO 59 -15.770 8.065 -6.107 442 HG3 PRO 59 3HG PRO 59 -16.562 6.683 -6.888 443 HD2 PRO 59 2HD PRO 59 -13.954 6.646 -6.157 444 HD3 PRO 59 3HD PRO 59 -14.563 5.763 -7.572 445 H LYS 60 HN LYS 60 -13.200 9.271 -6.544 446 HA LYS 60 HA LYS 60 -13.523 12.172 -6.952 447 HB2 LYS 60 2HB LYS 60 -13.175 11.069 -4.200 448 HB3 LYS 60 3HB LYS 60 -13.989 12.538 -4.723 449 HG2 LYS 60 2HG LYS 60 -15.566 10.652 -5.856 450 HG3 LYS 60 3HG LYS 60 -15.027 9.814 -4.399 451 HD2 LYS 60 2HD LYS 60 -15.638 12.285 -3.421 452 HD3 LYS 60 3HD LYS 60 -16.838 12.102 -4.703 453 HE2 LYS 60 2HE LYS 60 -17.489 9.926 -3.742 454 HE3 LYS 60 3HE LYS 60 -16.330 10.176 -2.437 455 HZ1 LYS 60 1HZ LYS 60 -18.645 10.771 -1.856 456 HZ2 LYS 60 2HZ LYS 60 -18.597 12.001 -3.016 457 HZ3 LYS 60 3HZ LYS 60 -17.560 12.058 -1.681 458 H GLN 61 HN GLN 61 -11.426 9.534 -6.390 459 HA GLN 61 HA GLN 61 -9.206 9.402 -5.750 460 HB2 GLN 61 2HB GLN 61 -7.838 10.942 -7.340 461 HB3 GLN 61 3HB GLN 61 -8.826 9.659 -8.023 462 HG2 GLN 61 2HG GLN 61 -10.516 11.189 -8.674 463 HG3 GLN 61 3HG GLN 61 -9.774 12.496 -7.755 464 HE21 GLN 61 1HE2 GLN 61 -9.440 10.426 -10.561 465 HE22 GLN 61 2HE2 GLN 61 -8.369 11.462 -11.435 466 H GLY 62 HN GLY 62 -9.868 10.448 -3.614 467 HA2 GLY 62 1HA GLY 62 -9.027 13.197 -3.257 468 HA3 GLY 62 2HA GLY 62 -9.640 12.119 -2.010 469 H HIS 63 HN HIS 63 -7.417 13.859 -1.720 470 HA HIS 63 HA HIS 63 -5.080 12.109 -1.800 471 HB2 HIS 63 2HB HIS 63 -5.448 15.048 -1.248 472 HB3 HIS 63 3HB HIS 63 -3.924 14.227 -0.925 473 HD1 HIS 63 1HD HIS 63 -5.852 15.811 -3.594 474 HD2 HIS 63 2HD HIS 63 -2.692 13.128 -3.319 475 HE1 HIS 63 1HE HIS 63 -4.797 15.779 -5.876 476 H LEU 64 HN LEU 64 -3.609 12.275 0.188 477 HA LEU 64 HA LEU 64 -5.259 12.008 2.614 478 HB2 LEU 64 2HB LEU 64 -2.851 10.453 1.707 479 HB3 LEU 64 3HB LEU 64 -3.426 10.427 3.374 480 HG LEU 64 HG LEU 64 -5.292 9.701 1.155 481 HD11 LEU 64 1HD1 LEU 64 -2.932 8.168 2.064 482 HD12 LEU 64 2HD1 LEU 64 -3.765 8.159 0.509 483 HD13 LEU 64 3HD1 LEU 64 -4.444 7.280 1.878 484 HD21 LEU 64 1HD2 LEU 64 -5.588 8.033 3.357 485 HD22 LEU 64 2HD2 LEU 64 -6.596 9.417 2.935 486 HD23 LEU 64 3HD2 LEU 64 -5.239 9.619 4.044 487 H GLN 65 HN GLN 65 -4.181 12.499 4.644 488 HA GLN 65 HA GLN 65 -2.509 14.851 4.383 489 HB2 GLN 65 2HB GLN 65 -3.018 13.928 7.102 490 HB3 GLN 65 3HB GLN 65 -3.384 15.477 6.354 491 HG2 GLN 65 2HG GLN 65 -5.477 14.705 6.881 492 HG3 GLN 65 3HG GLN 65 -5.312 14.172 5.208 493 HE21 GLN 65 1HE2 GLN 65 -3.334 12.110 6.185 494 HE22 GLN 65 2HE2 GLN 65 -4.322 10.837 6.805 495 H GLU 66 HN GLU 66 -0.544 15.142 5.611 496 HA GLU 66 HA GLU 66 1.079 12.724 5.588 497 HB2 GLU 66 2HB GLU 66 1.619 15.647 5.514 498 HB3 GLU 66 3HB GLU 66 2.853 14.618 6.226 499 HG2 GLU 66 2HG GLU 66 2.571 13.226 4.051 500 HG3 GLU 66 3HG GLU 66 1.856 14.709 3.419 501 H ASN 67 HN ASN 67 -0.466 14.828 7.821 502 HA ASN 67 HA ASN 67 1.176 13.953 10.063 503 HB2 ASN 67 2HB ASN 67 -1.107 15.451 10.912 504 HB3 ASN 67 3HB ASN 67 0.590 15.921 10.944 505 HD21 ASN 67 1HD2 ASN 67 -2.247 17.017 10.047 506 HD22 ASN 67 2HD2 ASN 67 -1.836 17.911 8.627 507 H GLU 68 HN GLU 68 -2.270 13.906 9.150 508 HA GLU 68 HA GLU 68 -3.204 12.337 11.242 509 HB2 GLU 68 2HB GLU 68 -4.181 13.228 8.671 510 HB3 GLU 68 3HB GLU 68 -4.706 11.583 8.998 511 HG2 GLU 68 2HG GLU 68 -5.006 13.551 11.184 512 HG3 GLU 68 3HG GLU 68 -6.072 13.721 9.791 513 H ILE 69 HN ILE 69 -2.340 11.231 7.961 514 HA ILE 69 HA ILE 69 -2.633 8.514 8.354 515 HB ILE 69 HB ILE 69 -0.715 10.021 6.588 516 HG12 ILE 69 2HG1 ILE 69 -3.485 9.141 6.418 517 HG13 ILE 69 3HG1 ILE 69 -2.614 10.301 5.420 518 HG21 ILE 69 1HG2 ILE 69 -1.216 7.049 6.675 519 HG22 ILE 69 2HG2 ILE 69 -0.329 7.891 5.407 520 HG23 ILE 69 3HG2 ILE 69 0.295 7.873 7.056 521 HD11 ILE 69 1HD1 ILE 69 -1.765 8.537 4.031 522 HD12 ILE 69 2HD1 ILE 69 -2.481 7.315 5.084 523 HD13 ILE 69 3HD1 ILE 69 -3.518 8.394 4.151 524 H GLU 70 HN GLU 70 0.488 10.249 8.456 525 HA GLU 70 HA GLU 70 2.036 8.190 9.446 526 HB2 GLU 70 2HB GLU 70 3.672 9.792 9.953 527 HB3 GLU 70 3HB GLU 70 2.751 10.518 8.643 528 HG2 GLU 70 2HG GLU 70 1.596 11.956 10.148 529 HG3 GLU 70 3HG GLU 70 2.261 11.115 11.547 530 H CYS 71 HN CYS 71 -0.379 10.019 11.055 531 HA CYS 71 HA CYS 71 0.546 9.655 13.724 532 HB2 CYS 71 2HB CYS 71 -1.552 11.040 12.464 533 HB3 CYS 71 3HB CYS 71 -2.325 9.901 13.558 534 HG CYS 71 HG CYS 71 -0.161 10.993 15.497 535 H MET 72 HN MET 72 -1.441 7.787 11.529 536 HA MET 72 HA MET 72 -2.196 5.898 13.601 537 HB2 MET 72 2HB MET 72 -3.760 5.109 12.143 538 HB3 MET 72 3HB MET 72 -3.526 6.697 11.427 539 HG2 MET 72 2HG MET 72 -1.655 5.400 10.075 540 HG3 MET 72 3HG MET 72 -2.699 4.029 10.447 541 HE1 MET 72 1HE MET 72 -3.605 3.736 7.460 542 HE2 MET 72 2HE MET 72 -3.054 5.240 6.721 543 HE3 MET 72 3HE MET 72 -2.014 4.385 7.863 544 H VAL 73 HN VAL 73 0.613 6.411 12.242 545 HA VAL 73 HA VAL 73 1.324 3.569 12.228 546 HB VAL 73 HB VAL 73 3.014 4.408 10.316 547 HG11 VAL 73 1HG1 VAL 73 0.307 3.165 10.193 548 HG12 VAL 73 2HG1 VAL 73 1.156 3.533 8.690 549 HG13 VAL 73 3HG1 VAL 73 1.889 2.453 9.877 550 HG21 VAL 73 1HG2 VAL 73 1.419 6.595 10.482 551 HG22 VAL 73 2HG2 VAL 73 2.308 6.118 9.036 552 HG23 VAL 73 3HG2 VAL 73 0.609 5.681 9.210 553 H ALA 74 HN ALA 74 2.922 6.706 11.641 554 HA ALA 74 HA ALA 74 5.176 5.908 13.266 555 HB1 ALA 74 1HB ALA 74 4.860 7.601 11.110 556 HB2 ALA 74 2HB ALA 74 5.132 8.699 12.465 557 HB3 ALA 74 3HB ALA 74 6.308 7.435 12.104 558 H ALA 75 HN ALA 75 2.322 6.578 14.292 559 HA ALA 75 HA ALA 75 2.114 8.812 15.791 560 HB1 ALA 75 1HB ALA 75 0.361 7.729 16.610 561 HB2 ALA 75 2HB ALA 75 0.947 6.253 15.842 562 HB3 ALA 75 3HB ALA 75 1.412 6.628 17.502 Start of MODEL 3 1 H1 ALA 1 HN ALA 1 -20.845 -15.105 -9.820 2 HA ALA 1 HA ALA 1 -19.696 -13.395 -8.753 3 HB1 ALA 1 1HB ALA 1 -22.584 -12.660 -8.948 4 HB2 ALA 1 2HB ALA 1 -21.437 -11.533 -8.223 5 HB3 ALA 1 3HB ALA 1 -21.210 -12.074 -9.886 6 H LEU 2 HN LEU 2 -19.362 -15.057 -6.893 7 HA LEU 2 HA LEU 2 -20.816 -14.732 -4.486 8 HB2 LEU 2 2HB LEU 2 -18.547 -16.237 -5.422 9 HB3 LEU 2 3HB LEU 2 -18.226 -15.568 -3.823 10 HG LEU 2 HG LEU 2 -19.096 -17.821 -3.642 11 HD11 LEU 2 1HD1 LEU 2 -21.109 -15.746 -2.787 12 HD12 LEU 2 2HD1 LEU 2 -19.675 -16.242 -1.888 13 HD13 LEU 2 3HD1 LEU 2 -20.989 -17.387 -2.153 14 HD21 LEU 2 1HD2 LEU 2 -20.703 -17.076 -5.807 15 HD22 LEU 2 2HD2 LEU 2 -21.812 -17.347 -4.462 16 HD23 LEU 2 3HD2 LEU 2 -20.696 -18.621 -4.957 17 H ASP 3 HN ASP 3 -20.874 -12.973 -3.270 18 HA ASP 3 HA ASP 3 -18.396 -11.580 -2.634 19 HB2 ASP 3 2HB ASP 3 -19.089 -10.240 -4.464 20 HB3 ASP 3 3HB ASP 3 -20.774 -10.278 -3.951 21 HA PRO 4 HA PRO 4 -21.199 -12.217 0.992 22 HB2 PRO 4 2HB PRO 4 -19.222 -13.045 2.658 23 HB3 PRO 4 3HB PRO 4 -20.087 -14.141 1.574 24 HG2 PRO 4 2HG PRO 4 -17.407 -12.854 1.224 25 HG3 PRO 4 3HG PRO 4 -17.901 -14.520 0.876 26 HD2 PRO 4 2HD PRO 4 -17.674 -12.636 -1.055 27 HD3 PRO 4 3HD PRO 4 -18.867 -13.947 -1.137 28 H LEU 5 HN LEU 5 -17.955 -10.785 0.839 29 HA LEU 5 HA LEU 5 -18.944 -8.498 2.366 30 HB2 LEU 5 2HB LEU 5 -16.704 -10.304 3.144 31 HB3 LEU 5 3HB LEU 5 -16.585 -8.586 3.514 32 HG LEU 5 HG LEU 5 -19.035 -10.047 4.364 33 HD11 LEU 5 1HD1 LEU 5 -18.009 -10.872 6.356 34 HD12 LEU 5 2HD1 LEU 5 -16.458 -10.156 5.918 35 HD13 LEU 5 3HD1 LEU 5 -17.105 -11.500 4.978 36 HD21 LEU 5 1HD2 LEU 5 -17.390 -7.976 5.798 37 HD22 LEU 5 2HD2 LEU 5 -19.067 -8.438 6.095 38 HD23 LEU 5 3HD2 LEU 5 -18.639 -7.563 4.624 39 H VAL 6 HN VAL 6 -15.560 -9.110 1.810 40 HA VAL 6 HA VAL 6 -13.991 -8.002 0.587 41 HB VAL 6 HB VAL 6 -15.992 -7.553 -1.594 42 HG11 VAL 6 1HG1 VAL 6 -13.081 -8.317 -1.475 43 HG12 VAL 6 2HG1 VAL 6 -14.026 -8.308 -2.965 44 HG13 VAL 6 3HG1 VAL 6 -13.781 -6.810 -2.065 45 HG21 VAL 6 1HG2 VAL 6 -14.929 -10.210 -0.667 46 HG22 VAL 6 2HG2 VAL 6 -16.606 -9.738 -0.934 47 HG23 VAL 6 3HG2 VAL 6 -15.518 -9.939 -2.307 48 H SER 7 HN SER 7 -13.548 -6.107 1.568 49 HA SER 7 HA SER 7 -15.226 -3.788 0.868 50 HB2 SER 7 2HB SER 7 -14.149 -4.707 3.421 51 HB3 SER 7 3HB SER 7 -13.740 -3.025 3.082 52 HG SER 7 HG SER 7 -15.691 -2.815 3.942 53 H CYS 8 HN CYS 8 -11.892 -4.703 1.726 54 HA CYS 8 HA CYS 8 -10.740 -2.309 0.716 55 HB2 CYS 8 2HB CYS 8 -9.701 -3.831 2.434 56 HB3 CYS 8 3HB CYS 8 -9.357 -4.963 1.131 57 H LYS 9 HN LYS 9 -9.360 -2.083 -1.128 58 HA LYS 9 HA LYS 9 -9.914 -4.001 -3.293 59 HB2 LYS 9 2HB LYS 9 -9.574 -1.113 -3.951 60 HB3 LYS 9 3HB LYS 9 -10.497 -2.352 -4.790 61 HG2 LYS 9 2HG LYS 9 -11.876 -2.200 -2.474 62 HG3 LYS 9 3HG LYS 9 -11.295 -0.538 -2.621 63 HD2 LYS 9 2HD LYS 9 -12.138 -1.025 -5.156 64 HD3 LYS 9 3HD LYS 9 -13.276 -2.004 -4.228 65 HE2 LYS 9 2HE LYS 9 -13.967 -0.105 -2.947 66 HE3 LYS 9 3HE LYS 9 -12.689 0.893 -3.641 67 HZ1 LYS 9 1HZ LYS 9 -13.774 0.582 -5.828 68 HZ2 LYS 9 2HZ LYS 9 -14.738 1.416 -4.716 69 HZ3 LYS 9 3HZ LYS 9 -15.053 -0.211 -5.056 70 H LEU 10 HN LEU 10 -7.623 -3.930 -1.595 71 HA LEU 10 HA LEU 10 -5.563 -3.288 -3.593 72 HB2 LEU 10 2HB LEU 10 -5.505 -2.768 -0.631 73 HB3 LEU 10 3HB LEU 10 -4.050 -2.796 -1.626 74 HG LEU 10 HG LEU 10 -6.307 -0.955 -2.319 75 HD11 LEU 10 1HD1 LEU 10 -5.737 0.632 -0.777 76 HD12 LEU 10 2HD1 LEU 10 -4.104 0.004 -0.567 77 HD13 LEU 10 3HD1 LEU 10 -5.470 -0.830 0.172 78 HD21 LEU 10 1HD2 LEU 10 -3.635 0.057 -2.599 79 HD22 LEU 10 2HD2 LEU 10 -4.866 -0.209 -3.834 80 HD23 LEU 10 3HD2 LEU 10 -3.774 -1.519 -3.380 81 H CYS 11 HN CYS 11 -6.660 -5.334 -0.977 82 HA CYS 11 HA CYS 11 -4.553 -7.279 -1.655 83 HB2 CYS 11 2HB CYS 11 -4.965 -8.242 0.607 84 HB3 CYS 11 3HB CYS 11 -4.365 -6.587 0.651 85 H LEU 12 HN LEU 12 -7.911 -6.648 -1.627 86 HA LEU 12 HA LEU 12 -9.716 -7.838 -2.328 87 HB2 LEU 12 2HB LEU 12 -7.969 -10.070 -3.255 88 HB3 LEU 12 3HB LEU 12 -9.432 -9.414 -3.987 89 HG LEU 12 HG LEU 12 -6.824 -7.913 -3.945 90 HD11 LEU 12 1HD1 LEU 12 -6.854 -10.236 -5.126 91 HD12 LEU 12 2HD1 LEU 12 -6.175 -8.834 -5.950 92 HD13 LEU 12 3HD1 LEU 12 -7.801 -9.387 -6.347 93 HD21 LEU 12 1HD2 LEU 12 -8.062 -6.288 -4.806 94 HD22 LEU 12 2HD2 LEU 12 -9.495 -7.315 -4.769 95 HD23 LEU 12 3HD2 LEU 12 -8.437 -7.329 -6.179 96 H GLY 13 HN GLY 13 -9.572 -8.053 0.219 97 HA2 GLY 13 1HA GLY 13 -9.783 -10.940 0.822 98 HA3 GLY 13 2HA GLY 13 -9.145 -9.774 1.972 99 H GLU 14 HN GLU 14 -10.875 -10.857 3.294 100 HA GLU 14 HA GLU 14 -13.418 -9.420 2.918 101 HB2 GLU 14 2HB GLU 14 -13.366 -12.062 4.312 102 HB3 GLU 14 3HB GLU 14 -14.682 -11.283 3.444 103 HG2 GLU 14 2HG GLU 14 -13.773 -11.867 1.346 104 HG3 GLU 14 3HG GLU 14 -12.237 -12.347 2.064 105 H TYR 15 HN TYR 15 -13.458 -7.886 4.427 106 HA TYR 15 HA TYR 15 -13.169 -8.656 7.216 107 HB2 TYR 15 2HB TYR 15 -11.726 -6.166 6.447 108 HB3 TYR 15 3HB TYR 15 -11.410 -7.285 7.768 109 HD1 TYR 15 1HD TYR 15 -10.303 -9.492 7.249 110 HD2 TYR 15 2HD TYR 15 -10.567 -6.343 4.399 111 HE1 TYR 15 1HE TYR 15 -8.498 -10.531 5.942 112 HE2 TYR 15 2HE TYR 15 -8.764 -7.375 3.083 113 HH TYR 15 HH TYR 15 -6.741 -9.716 4.258 114 HA PRO 16 HA PRO 16 -16.487 -5.842 7.797 115 HB2 PRO 16 2HB PRO 16 -16.045 -5.031 10.350 116 HB3 PRO 16 3HB PRO 16 -16.634 -6.647 9.944 117 HG2 PRO 16 2HG PRO 16 -13.854 -5.755 10.608 118 HG3 PRO 16 3HG PRO 16 -14.725 -7.202 11.150 119 HD2 PRO 16 2HD PRO 16 -12.892 -7.264 9.157 120 HD3 PRO 16 3HD PRO 16 -14.303 -8.342 9.192 121 H VAL 17 HN VAL 17 -16.687 -3.565 9.227 122 HA VAL 17 HA VAL 17 -14.920 -1.742 7.762 123 HB VAL 17 HB VAL 17 -16.550 -0.044 8.048 124 HG11 VAL 17 1HG1 VAL 17 -18.375 -2.363 7.663 125 HG12 VAL 17 2HG1 VAL 17 -18.238 -0.868 6.736 126 HG13 VAL 17 3HG1 VAL 17 -17.035 -2.144 6.539 127 HG21 VAL 17 1HG2 VAL 17 -17.479 -1.763 10.267 128 HG22 VAL 17 2HG2 VAL 17 -17.377 -0.006 10.159 129 HG23 VAL 17 3HG2 VAL 17 -18.715 -0.860 9.391 130 H GLU 18 HN GLU 18 -15.096 -3.144 10.741 131 HA GLU 18 HA GLU 18 -14.250 -0.810 12.262 132 HB2 GLU 18 2HB GLU 18 -15.472 -3.321 12.883 133 HB3 GLU 18 3HB GLU 18 -13.973 -3.184 13.792 134 HG2 GLU 18 2HG GLU 18 -14.684 -1.242 14.891 135 HG3 GLU 18 3HG GLU 18 -16.003 -0.979 13.750 136 H GLN 19 HN GLN 19 -12.852 -3.253 10.400 137 HA GLN 19 HA GLN 19 -10.266 -2.965 11.775 138 HB2 GLN 19 2HB GLN 19 -11.439 -5.148 10.085 139 HB3 GLN 19 3HB GLN 19 -9.694 -4.991 10.236 140 HG2 GLN 19 2HG GLN 19 -10.285 -4.924 12.809 141 HG3 GLN 19 3HG GLN 19 -11.711 -5.797 12.252 142 HE21 GLN 19 1HE2 GLN 19 -11.469 -7.841 11.341 143 HE22 GLN 19 2HE2 GLN 19 -10.024 -8.768 11.541 144 H MET 20 HN MET 20 -11.520 -1.072 9.860 145 HA MET 20 HA MET 20 -9.311 -1.013 7.920 146 HB2 MET 20 2HB MET 20 -11.969 0.064 7.105 147 HB3 MET 20 3HB MET 20 -10.682 -0.613 6.114 148 HG2 MET 20 2HG MET 20 -11.392 -2.801 7.494 149 HG3 MET 20 3HG MET 20 -12.930 -1.941 7.475 150 HE1 MET 20 1HE MET 20 -10.492 -2.175 3.771 151 HE2 MET 20 2HE MET 20 -9.908 -2.361 5.423 152 HE3 MET 20 3HE MET 20 -10.358 -3.783 4.483 153 H THR 21 HN THR 21 -9.401 1.286 6.785 154 HA THR 21 HA THR 21 -9.938 3.342 8.814 155 HB THR 21 HB THR 21 -7.347 2.951 7.318 156 HG1 THR 21 1HG THR 21 -8.170 2.882 10.015 157 HG21 THR 21 1HG2 THR 21 -6.777 5.113 8.697 158 HG22 THR 21 2HG2 THR 21 -8.514 5.393 8.577 159 HG23 THR 21 3HG2 THR 21 -7.543 5.237 7.113 160 H THR 22 HN THR 22 -10.557 5.327 8.035 161 HA THR 22 HA THR 22 -11.546 5.376 5.334 162 HB THR 22 HB THR 22 -11.571 7.553 7.435 163 HG1 THR 22 1HG THR 22 -12.761 5.515 7.853 164 HG21 THR 22 1HG2 THR 22 -11.871 8.550 5.283 165 HG22 THR 22 2HG2 THR 22 -13.462 8.436 6.036 166 HG23 THR 22 3HG2 THR 22 -12.992 7.282 4.788 167 H ILE 23 HN ILE 23 -10.967 6.822 3.693 168 HA ILE 23 HA ILE 23 -8.219 7.336 3.411 169 HB ILE 23 HB ILE 23 -10.588 8.394 1.874 170 HG12 ILE 23 2HG1 ILE 23 -10.309 6.033 1.581 171 HG13 ILE 23 3HG1 ILE 23 -9.678 6.814 0.135 172 HG21 ILE 23 1HG2 ILE 23 -7.915 9.368 1.878 173 HG22 ILE 23 2HG2 ILE 23 -8.216 8.558 0.342 174 HG23 ILE 23 3HG2 ILE 23 -9.271 9.868 0.868 175 HD11 ILE 23 1HD1 ILE 23 -7.407 6.657 1.442 176 HD12 ILE 23 2HD1 ILE 23 -8.246 5.350 2.280 177 HD13 ILE 23 3HD1 ILE 23 -8.040 5.287 0.530 178 H ALA 24 HN ALA 24 -10.515 9.964 2.942 179 HA ALA 24 HA ALA 24 -10.172 11.576 5.079 180 HB1 ALA 24 1HB ALA 24 -8.210 13.061 4.043 181 HB2 ALA 24 2HB ALA 24 -7.917 11.762 5.201 182 HB3 ALA 24 3HB ALA 24 -7.688 11.474 3.476 183 H GLN 25 HN GLN 25 -9.958 11.495 1.569 184 HA GLN 25 HA GLN 25 -11.509 13.993 1.447 185 HB2 GLN 25 2HB GLN 25 -9.352 12.881 -0.193 186 HB3 GLN 25 3HB GLN 25 -10.715 13.473 -1.135 187 HG2 GLN 25 2HG GLN 25 -8.830 15.102 -0.670 188 HG3 GLN 25 3HG GLN 25 -10.470 15.654 -0.334 189 HE21 GLN 25 1HE2 GLN 25 -7.463 14.575 1.068 190 HE22 GLN 25 2HE2 GLN 25 -7.758 15.185 2.657 191 H CYS 26 HN CYS 26 -11.190 10.871 -0.248 192 HA CYS 26 HA CYS 26 -13.846 11.092 -1.346 193 HB2 CYS 26 2HB CYS 26 -13.380 8.866 -2.311 194 HB3 CYS 26 3HB CYS 26 -12.097 10.020 -2.660 195 H GLN 27 HN GLN 27 -12.275 9.390 1.287 196 HA GLN 27 HA GLN 27 -13.192 8.476 3.181 197 HB2 GLN 27 2HB GLN 27 -15.949 8.738 2.016 198 HB3 GLN 27 3HB GLN 27 -15.464 8.732 3.707 199 HG2 GLN 27 2HG GLN 27 -15.247 10.937 1.698 200 HG3 GLN 27 3HG GLN 27 -16.031 10.944 3.276 201 HE21 GLN 27 1HE2 GLN 27 -13.968 9.771 4.764 202 HE22 GLN 27 2HE2 GLN 27 -12.656 10.892 4.852 203 H CYS 28 HN CYS 28 -12.218 6.912 1.145 204 HA CYS 28 HA CYS 28 -14.107 4.820 0.519 205 HB2 CYS 28 2HB CYS 28 -11.173 5.223 -0.030 206 HB3 CYS 28 3HB CYS 28 -11.982 3.705 -0.404 207 H ILE 29 HN ILE 29 -12.845 2.491 0.785 208 HA ILE 29 HA ILE 29 -12.213 2.269 3.654 209 HB ILE 29 HB ILE 29 -14.506 1.301 2.528 210 HG12 ILE 29 2HG1 ILE 29 -13.137 -0.115 4.808 211 HG13 ILE 29 3HG1 ILE 29 -13.722 1.537 4.969 212 HG21 ILE 29 1HG2 ILE 29 -13.266 -0.316 1.180 213 HG22 ILE 29 2HG2 ILE 29 -12.549 -0.990 2.642 214 HG23 ILE 29 3HG2 ILE 29 -14.286 -1.124 2.370 215 HD11 ILE 29 1HD1 ILE 29 -15.688 -0.339 3.888 216 HD12 ILE 29 2HD1 ILE 29 -15.164 -0.683 5.537 217 HD13 ILE 29 3HD1 ILE 29 -15.852 0.892 5.141 218 H PHE 30 HN PHE 30 -10.330 1.330 4.080 219 HA PHE 30 HA PHE 30 -9.296 -0.783 2.391 220 HB2 PHE 30 2HB PHE 30 -7.789 1.815 2.754 221 HB3 PHE 30 3HB PHE 30 -7.108 0.346 2.061 222 HD1 PHE 30 1HD PHE 30 -8.968 3.330 1.432 223 HD2 PHE 30 2HD PHE 30 -8.149 -0.572 -0.058 224 HE1 PHE 30 1HE PHE 30 -9.774 4.013 -0.791 225 HE2 PHE 30 2HE PHE 30 -8.952 0.104 -2.282 226 HZ PHE 30 HZ PHE 30 -9.764 2.400 -2.652 227 H CYS 31 HN CYS 31 -8.125 -2.224 3.527 228 HA CYS 31 HA CYS 31 -8.066 -2.082 6.342 229 HB2 CYS 31 2HB CYS 31 -6.995 -4.198 6.288 230 HB3 CYS 31 3HB CYS 31 -8.079 -4.176 4.902 231 H THR 32 HN THR 32 -6.633 -1.241 7.711 232 HA THR 32 HA THR 32 -4.762 0.591 7.240 233 HB THR 32 HB THR 32 -4.039 -1.534 9.233 234 HG1 THR 32 1HG THR 32 -6.270 0.212 9.269 235 HG21 THR 32 1HG2 THR 32 -3.926 1.483 9.235 236 HG22 THR 32 2HG2 THR 32 -2.561 0.375 9.091 237 HG23 THR 32 3HG2 THR 32 -3.474 0.461 10.598 238 H LEU 33 HN LEU 33 -4.062 -2.898 7.222 239 HA LEU 33 HA LEU 33 -1.401 -2.997 6.802 240 HB2 LEU 33 2HB LEU 33 -3.396 -4.552 5.163 241 HB3 LEU 33 3HB LEU 33 -1.723 -5.005 5.489 242 HG LEU 33 HG LEU 33 -3.498 -4.637 7.834 243 HD11 LEU 33 1HD1 LEU 33 -4.728 -6.563 7.583 244 HD12 LEU 33 2HD1 LEU 33 -3.624 -7.243 6.387 245 HD13 LEU 33 3HD1 LEU 33 -4.722 -5.940 5.932 246 HD21 LEU 33 1HD2 LEU 33 -0.974 -5.801 7.207 247 HD22 LEU 33 2HD2 LEU 33 -2.041 -7.061 7.826 248 HD23 LEU 33 3HD2 LEU 33 -1.744 -5.607 8.782 249 H CYS 34 HN CYS 34 -3.620 -2.954 4.009 250 HA CYS 34 HA CYS 34 -1.631 -2.255 2.147 251 HB2 CYS 34 2HB CYS 34 -4.591 -1.713 1.880 252 HB3 CYS 34 3HB CYS 34 -3.425 -1.929 0.579 253 H LEU 35 HN LEU 35 -4.304 -0.233 3.378 254 HA LEU 35 HA LEU 35 -3.550 2.176 2.298 255 HB2 LEU 35 2HB LEU 35 -5.593 1.504 3.759 256 HB3 LEU 35 3HB LEU 35 -4.591 2.056 5.099 257 HG LEU 35 HG LEU 35 -4.506 4.287 4.163 258 HD11 LEU 35 1HD1 LEU 35 -5.673 2.927 1.814 259 HD12 LEU 35 2HD1 LEU 35 -4.546 4.281 1.904 260 HD13 LEU 35 3HD1 LEU 35 -6.268 4.549 2.169 261 HD21 LEU 35 1HD2 LEU 35 -7.395 3.615 3.940 262 HD22 LEU 35 2HD2 LEU 35 -6.602 4.923 4.818 263 HD23 LEU 35 3HD2 LEU 35 -6.570 3.281 5.463 264 H LYS 36 HN LYS 36 -1.947 0.380 4.718 265 HA LYS 36 HA LYS 36 -0.469 2.680 5.730 266 HB2 LYS 36 2HB LYS 36 -1.121 1.075 7.391 267 HB3 LYS 36 3HB LYS 36 -0.439 -0.250 6.458 268 HG2 LYS 36 2HG LYS 36 1.555 1.755 7.023 269 HG3 LYS 36 3HG LYS 36 0.790 1.174 8.503 270 HD2 LYS 36 2HD LYS 36 1.398 -1.064 8.054 271 HD3 LYS 36 3HD LYS 36 1.820 -0.693 6.381 272 HE2 LYS 36 2HE LYS 36 3.806 -1.005 7.797 273 HE3 LYS 36 3HE LYS 36 3.717 0.621 7.120 274 HZ1 LYS 36 1HZ LYS 36 2.418 0.861 9.484 275 HZ2 LYS 36 2HZ LYS 36 4.030 1.293 9.207 276 HZ3 LYS 36 3HZ LYS 36 3.660 -0.222 9.865 277 H GLN 37 HN GLN 37 0.478 -0.543 4.520 278 HA GLN 37 HA GLN 37 3.124 -0.059 4.022 279 HB2 GLN 37 2HB GLN 37 1.297 -2.085 3.402 280 HB3 GLN 37 3HB GLN 37 1.994 -1.616 1.858 281 HG2 GLN 37 2HG GLN 37 3.933 -2.597 2.318 282 HG3 GLN 37 3HG GLN 37 3.999 -1.898 3.935 283 HE21 GLN 37 1HE2 GLN 37 3.130 -3.033 5.666 284 HE22 GLN 37 2HE2 GLN 37 2.754 -4.717 5.568 285 H TYR 38 HN TYR 38 0.429 1.281 2.394 286 HA TYR 38 HA TYR 38 1.930 2.001 0.015 287 HB2 TYR 38 2HB TYR 38 -0.189 1.736 -0.736 288 HB3 TYR 38 3HB TYR 38 -0.894 2.041 0.848 289 HD1 TYR 38 1HD TYR 38 -2.253 3.890 1.010 290 HD2 TYR 38 2HD TYR 38 0.960 3.958 -1.779 291 HE1 TYR 38 1HE TYR 38 -2.948 6.132 0.272 292 HE2 TYR 38 2HE TYR 38 0.274 6.200 -2.523 293 HH TYR 38 HH TYR 38 -1.655 7.624 -2.538 294 H VAL 39 HN VAL 39 0.038 3.870 2.397 295 HA VAL 39 HA VAL 39 1.214 6.348 1.731 296 HB VAL 39 HB VAL 39 0.127 7.252 3.665 297 HG11 VAL 39 1HG1 VAL 39 -2.169 6.464 3.343 298 HG12 VAL 39 2HG1 VAL 39 -1.330 6.657 1.802 299 HG13 VAL 39 3HG1 VAL 39 -1.562 5.048 2.486 300 HG21 VAL 39 1HG2 VAL 39 -0.998 5.716 5.307 301 HG22 VAL 39 2HG2 VAL 39 -0.081 4.392 4.588 302 HG23 VAL 39 3HG2 VAL 39 0.765 5.724 5.375 303 H GLU 40 HN GLU 40 1.790 4.138 4.463 304 HA GLU 40 HA GLU 40 3.567 5.382 6.006 305 HB2 GLU 40 2HB GLU 40 2.889 2.874 5.939 306 HB3 GLU 40 3HB GLU 40 4.344 2.672 4.975 307 HG2 GLU 40 2HG GLU 40 4.938 4.216 7.310 308 HG3 GLU 40 3HG GLU 40 4.121 2.723 7.765 309 H LEU 41 HN LEU 41 4.515 3.803 2.955 310 HA LEU 41 HA LEU 41 7.202 4.594 3.003 311 HB2 LEU 41 2HB LEU 41 5.310 3.709 0.877 312 HB3 LEU 41 3HB LEU 41 6.877 4.364 0.407 313 HG LEU 41 HG LEU 41 6.792 1.881 0.511 314 HD11 LEU 41 1HD1 LEU 41 8.846 3.403 0.954 315 HD12 LEU 41 2HD1 LEU 41 8.948 1.680 1.315 316 HD13 LEU 41 3HD1 LEU 41 8.683 2.839 2.617 317 HD21 LEU 41 1HD2 LEU 41 5.261 1.761 2.463 318 HD22 LEU 41 2HD2 LEU 41 6.592 2.293 3.490 319 HD23 LEU 41 3HD2 LEU 41 6.702 0.757 2.629 320 H LEU 42 HN LEU 42 4.597 5.957 0.977 321 HA LEU 42 HA LEU 42 6.010 8.188 0.095 322 HB2 LEU 42 2HB LEU 42 3.054 7.788 0.505 323 HB3 LEU 42 3HB LEU 42 3.749 9.185 -0.316 324 HG LEU 42 HG LEU 42 4.418 6.464 -1.328 325 HD11 LEU 42 1HD1 LEU 42 2.146 7.422 -2.727 326 HD12 LEU 42 2HD1 LEU 42 1.742 7.352 -1.013 327 HD13 LEU 42 3HD1 LEU 42 2.336 5.911 -1.838 328 HD21 LEU 42 1HD2 LEU 42 5.482 7.897 -2.693 329 HD22 LEU 42 2HD2 LEU 42 4.439 9.251 -2.257 330 HD23 LEU 42 3HD2 LEU 42 3.896 8.068 -3.447 331 H ILE 43 HN ILE 43 3.416 8.238 2.545 332 HA ILE 43 HA ILE 43 3.598 10.739 3.506 333 HB ILE 43 HB ILE 43 2.633 8.289 4.541 334 HG12 ILE 43 2HG1 ILE 43 1.418 10.005 6.101 335 HG13 ILE 43 3HG1 ILE 43 2.227 11.208 5.102 336 HG21 ILE 43 1HG2 ILE 43 4.213 9.871 6.564 337 HG22 ILE 43 2HG2 ILE 43 3.047 8.608 6.956 338 HG23 ILE 43 3HG2 ILE 43 4.510 8.209 6.056 339 HD11 ILE 43 1HD1 ILE 43 0.843 9.117 3.596 340 HD12 ILE 43 2HD1 ILE 43 -0.204 10.138 4.581 341 HD13 ILE 43 3HD1 ILE 43 0.855 10.866 3.374 342 H LYS 44 HN LYS 44 6.014 8.275 3.851 343 HA LYS 44 HA LYS 44 7.493 9.643 5.910 344 HB2 LYS 44 2HB LYS 44 7.595 7.078 4.577 345 HB3 LYS 44 3HB LYS 44 9.195 7.804 4.650 346 HG2 LYS 44 2HG LYS 44 8.649 6.318 6.566 347 HG3 LYS 44 3HG LYS 44 9.099 7.962 7.026 348 HD2 LYS 44 2HD LYS 44 7.235 7.916 8.272 349 HD3 LYS 44 3HD LYS 44 6.385 8.166 6.746 350 HE2 LYS 44 2HE LYS 44 5.352 6.223 7.035 351 HE3 LYS 44 3HE LYS 44 6.910 5.403 6.947 352 HZ1 LYS 44 1HZ LYS 44 5.465 6.329 9.356 353 HZ2 LYS 44 2HZ LYS 44 7.114 5.956 9.395 354 HZ3 LYS 44 3HZ LYS 44 5.987 4.764 8.981 355 H GLU 45 HN GLU 45 7.795 9.173 2.410 356 HA GLU 45 HA GLU 45 10.204 10.725 2.229 357 HB2 GLU 45 2HB GLU 45 9.009 8.873 0.611 358 HB3 GLU 45 3HB GLU 45 8.619 10.371 -0.224 359 HG2 GLU 45 2HG GLU 45 10.611 10.212 -1.179 360 HG3 GLU 45 3HG GLU 45 11.293 10.655 0.385 361 H GLY 46 HN GLY 46 6.975 11.246 0.789 362 HA2 GLY 46 1HA GLY 46 5.751 13.174 0.513 363 HA3 GLY 46 2HA GLY 46 6.779 13.924 1.725 364 H LEU 47 HN LEU 47 7.145 12.710 -1.611 365 HA LEU 47 HA LEU 47 8.920 14.942 -2.203 366 HB2 LEU 47 2HB LEU 47 9.159 13.769 -4.411 367 HB3 LEU 47 3HB LEU 47 9.713 12.870 -3.000 368 HG LEU 47 HG LEU 47 6.965 12.389 -4.069 369 HD11 LEU 47 1HD1 LEU 47 7.648 11.017 -5.776 370 HD12 LEU 47 2HD1 LEU 47 9.256 10.782 -5.093 371 HD13 LEU 47 3HD1 LEU 47 8.848 12.305 -5.883 372 HD21 LEU 47 1HD2 LEU 47 8.259 10.034 -3.315 373 HD22 LEU 47 2HD2 LEU 47 7.027 10.914 -2.411 374 HD23 LEU 47 3HD2 LEU 47 8.736 11.236 -2.115 375 H GLU 48 HN GLU 48 5.714 13.775 -2.965 376 HA GLU 48 HA GLU 48 4.520 16.127 -3.545 377 HB2 GLU 48 2HB GLU 48 4.542 16.011 -6.147 378 HB3 GLU 48 3HB GLU 48 5.877 16.784 -5.304 379 HG2 GLU 48 2HG GLU 48 6.560 14.074 -5.528 380 HG3 GLU 48 3HG GLU 48 5.907 14.553 -7.093 381 H THR 49 HN THR 49 4.853 12.769 -4.185 382 HA THR 49 HA THR 49 2.776 11.946 -5.656 383 HB THR 49 HB THR 49 3.377 10.812 -2.917 384 HG1 THR 49 1HG THR 49 5.201 10.253 -3.816 385 HG21 THR 49 1HG2 THR 49 2.672 8.837 -4.830 386 HG22 THR 49 2HG2 THR 49 1.441 10.099 -4.880 387 HG23 THR 49 3HG2 THR 49 1.814 9.290 -3.359 388 H ALA 50 HN ALA 50 2.524 13.560 -2.578 389 HA ALA 50 HA ALA 50 0.758 14.420 -1.428 390 HB1 ALA 50 1HB ALA 50 -1.414 14.607 -2.938 391 HB2 ALA 50 2HB ALA 50 -0.034 15.686 -3.146 392 HB3 ALA 50 3HB ALA 50 -0.241 14.302 -4.219 393 H ILE 51 HN ILE 51 1.053 11.345 -2.137 394 HA ILE 51 HA ILE 51 -0.124 9.397 -1.769 395 HB ILE 51 HB ILE 51 -0.756 11.002 0.709 396 HG12 ILE 51 2HG1 ILE 51 1.159 9.854 1.677 397 HG13 ILE 51 3HG1 ILE 51 1.389 8.929 0.197 398 HG21 ILE 51 1HG2 ILE 51 -0.816 8.007 0.420 399 HG22 ILE 51 2HG2 ILE 51 -1.319 8.971 1.807 400 HG23 ILE 51 3HG2 ILE 51 -2.254 9.022 0.312 401 HD11 ILE 51 1HD1 ILE 51 2.828 11.063 0.743 402 HD12 ILE 51 2HD1 ILE 51 2.339 10.676 -0.907 403 HD13 ILE 51 3HD1 ILE 51 1.449 11.888 0.015 404 H SER 52 HN SER 52 -1.688 9.498 -3.422 405 HA SER 52 HA SER 52 -4.311 10.582 -2.687 406 HB2 SER 52 2HB SER 52 -3.615 11.341 -4.836 407 HB3 SER 52 3HB SER 52 -3.126 9.720 -5.328 408 HG SER 52 HG SER 52 -5.688 10.831 -5.132 409 H CYS 53 HN CYS 53 -6.229 9.315 -3.046 410 HA CYS 53 HA CYS 53 -6.473 6.986 -1.778 411 HB2 CYS 53 2HB CYS 53 -8.386 8.167 -2.745 412 HB3 CYS 53 3HB CYS 53 -7.900 7.657 -4.360 413 HA PRO 54 HA PRO 54 -4.061 3.949 -3.889 414 HB2 PRO 54 2HB PRO 54 -5.106 1.749 -2.689 415 HB3 PRO 54 3HB PRO 54 -3.985 2.845 -1.875 416 HG2 PRO 54 2HG PRO 54 -6.969 2.707 -1.689 417 HG3 PRO 54 3HG PRO 54 -5.777 2.925 -0.395 418 HD2 PRO 54 2HD PRO 54 -7.182 4.988 -1.444 419 HD3 PRO 54 3HD PRO 54 -5.524 5.173 -0.835 420 H ASP 55 HN ASP 55 -7.232 4.604 -4.466 421 HA ASP 55 HA ASP 55 -7.533 2.355 -6.345 422 HB2 ASP 55 2HB ASP 55 -9.380 3.606 -4.491 423 HB3 ASP 55 3HB ASP 55 -10.010 3.636 -6.135 424 H ALA 56 HN ALA 56 -6.105 3.620 -7.772 425 HA ALA 56 HA ALA 56 -6.380 6.090 -8.795 426 HB1 ALA 56 1HB ALA 56 -4.985 3.924 -9.561 427 HB2 ALA 56 2HB ALA 56 -6.142 4.027 -10.889 428 HB3 ALA 56 3HB ALA 56 -5.099 5.400 -10.519 429 H ALA 57 HN ALA 57 -8.655 3.498 -9.158 430 HA ALA 57 HA ALA 57 -10.182 4.982 -11.167 431 HB1 ALA 57 1HB ALA 57 -9.929 2.677 -11.698 432 HB2 ALA 57 2HB ALA 57 -10.453 2.184 -10.087 433 HB3 ALA 57 3HB ALA 57 -11.605 2.915 -11.203 434 H CYS 58 HN CYS 58 -10.069 6.207 -8.675 435 HA CYS 58 HA CYS 58 -12.593 5.586 -7.342 436 HB2 CYS 58 2HB CYS 58 -10.491 5.998 -6.025 437 HB3 CYS 58 3HB CYS 58 -10.536 7.668 -6.584 438 HA PRO 59 HA PRO 59 -14.735 8.767 -9.538 439 HB2 PRO 59 2HB PRO 59 -16.911 8.915 -7.920 440 HB3 PRO 59 3HB PRO 59 -16.647 7.587 -9.055 441 HG2 PRO 59 2HG PRO 59 -16.125 7.691 -6.109 442 HG3 PRO 59 3HG PRO 59 -16.849 6.390 -7.072 443 HD2 PRO 59 2HD PRO 59 -14.264 6.342 -6.267 444 HD3 PRO 59 3HD PRO 59 -14.801 5.616 -7.795 445 H LYS 60 HN LYS 60 -13.482 9.035 -6.386 446 HA LYS 60 HA LYS 60 -13.977 11.940 -6.407 447 HB2 LYS 60 2HB LYS 60 -13.720 10.183 -3.960 448 HB3 LYS 60 3HB LYS 60 -14.016 11.917 -3.969 449 HG2 LYS 60 2HG LYS 60 -15.908 10.035 -5.322 450 HG3 LYS 60 3HG LYS 60 -15.994 10.321 -3.582 451 HD2 LYS 60 2HD LYS 60 -16.225 12.733 -4.009 452 HD3 LYS 60 3HD LYS 60 -16.184 12.418 -5.746 453 HE2 LYS 60 2HE LYS 60 -18.284 11.508 -5.766 454 HE3 LYS 60 3HE LYS 60 -18.177 10.952 -4.097 455 HZ1 LYS 60 1HZ LYS 60 -19.686 12.955 -4.716 456 HZ2 LYS 60 2HZ LYS 60 -18.244 13.837 -4.642 457 HZ3 LYS 60 3HZ LYS 60 -18.787 12.988 -3.282 458 H GLN 61 HN GLN 61 -11.726 9.363 -6.171 459 HA GLN 61 HA GLN 61 -9.485 9.287 -5.613 460 HB2 GLN 61 2HB GLN 61 -9.861 11.468 -7.635 461 HB3 GLN 61 3HB GLN 61 -8.252 11.105 -7.026 462 HG2 GLN 61 2HG GLN 61 -8.720 8.695 -7.694 463 HG3 GLN 61 3HG GLN 61 -10.098 9.335 -8.590 464 HE21 GLN 61 1HE2 GLN 61 -9.245 11.553 -9.733 465 HE22 GLN 61 2HE2 GLN 61 -7.903 11.261 -10.781 466 H GLY 62 HN GLY 62 -10.161 10.037 -3.356 467 HA2 GLY 62 1HA GLY 62 -9.511 12.760 -2.664 468 HA3 GLY 62 2HA GLY 62 -9.943 11.473 -1.549 469 H HIS 63 HN HIS 63 -7.821 13.452 -1.315 470 HA HIS 63 HA HIS 63 -5.411 11.795 -1.541 471 HB2 HIS 63 2HB HIS 63 -5.756 14.752 -1.009 472 HB3 HIS 63 3HB HIS 63 -4.202 13.926 -1.024 473 HD1 HIS 63 1HD HIS 63 -7.051 14.826 -3.335 474 HD2 HIS 63 2HD HIS 63 -3.093 13.574 -3.508 475 HE1 HIS 63 1HE HIS 63 -6.395 15.003 -5.757 476 H LEU 64 HN LEU 64 -3.859 11.883 0.284 477 HA LEU 64 HA LEU 64 -5.306 11.775 2.843 478 HB2 LEU 64 2HB LEU 64 -2.866 10.325 1.852 479 HB3 LEU 64 3HB LEU 64 -3.330 10.352 3.553 480 HG LEU 64 HG LEU 64 -3.980 8.307 2.168 481 HD11 LEU 64 1HD1 LEU 64 -6.511 8.846 3.201 482 HD12 LEU 64 2HD1 LEU 64 -5.394 9.772 4.204 483 HD13 LEU 64 3HD1 LEU 64 -5.175 8.032 4.016 484 HD21 LEU 64 1HD2 LEU 64 -4.797 9.592 0.219 485 HD22 LEU 64 2HD2 LEU 64 -6.129 10.192 1.207 486 HD23 LEU 64 3HD2 LEU 64 -5.997 8.469 0.857 487 H GLN 65 HN GLN 65 -4.000 12.316 4.786 488 HA GLN 65 HA GLN 65 -2.533 14.785 4.298 489 HB2 GLN 65 2HB GLN 65 -2.823 14.007 7.086 490 HB3 GLN 65 3HB GLN 65 -3.345 15.476 6.271 491 HG2 GLN 65 2HG GLN 65 -5.339 14.600 6.987 492 HG3 GLN 65 3HG GLN 65 -5.245 13.974 5.342 493 HE21 GLN 65 1HE2 GLN 65 -3.064 12.119 6.310 494 HE22 GLN 65 2HE2 GLN 65 -3.918 10.824 7.068 495 H GLU 66 HN GLU 66 -0.551 15.237 5.525 496 HA GLU 66 HA GLU 66 1.223 12.928 5.433 497 HB2 GLU 66 2HB GLU 66 1.570 15.879 5.343 498 HB3 GLU 66 3HB GLU 66 2.892 14.936 6.018 499 HG2 GLU 66 2HG GLU 66 2.744 13.534 3.890 500 HG3 GLU 66 3HG GLU 66 1.757 14.846 3.248 501 H ASN 67 HN ASN 67 -0.102 15.224 7.721 502 HA ASN 67 HA ASN 67 1.573 14.316 9.892 503 HB2 ASN 67 2HB ASN 67 0.502 16.679 9.525 504 HB3 ASN 67 3HB ASN 67 -0.908 15.951 10.289 505 HD21 ASN 67 1HD2 ASN 67 -0.305 14.668 12.337 506 HD22 ASN 67 2HD2 ASN 67 0.745 15.489 13.437 507 H GLU 68 HN GLU 68 -1.905 14.169 9.129 508 HA GLU 68 HA GLU 68 -2.704 12.613 11.292 509 HB2 GLU 68 2HB GLU 68 -3.815 13.408 8.725 510 HB3 GLU 68 3HB GLU 68 -4.328 11.791 9.187 511 HG2 GLU 68 2HG GLU 68 -4.492 13.956 11.214 512 HG3 GLU 68 3HG GLU 68 -5.678 13.927 9.909 513 H ILE 69 HN ILE 69 -2.184 11.423 7.967 514 HA ILE 69 HA ILE 69 -2.349 8.740 8.382 515 HB ILE 69 HB ILE 69 -0.549 10.294 6.547 516 HG12 ILE 69 2HG1 ILE 69 -3.236 9.156 6.467 517 HG13 ILE 69 3HG1 ILE 69 -2.511 10.395 5.449 518 HG21 ILE 69 1HG2 ILE 69 0.625 8.226 7.074 519 HG22 ILE 69 2HG2 ILE 69 -0.816 7.294 6.670 520 HG23 ILE 69 3HG2 ILE 69 0.026 8.203 5.416 521 HD11 ILE 69 1HD1 ILE 69 -2.147 7.427 5.113 522 HD12 ILE 69 2HD1 ILE 69 -3.226 8.450 4.163 523 HD13 ILE 69 3HD1 ILE 69 -1.480 8.686 4.072 524 H GLU 70 HN GLU 70 0.781 10.461 8.375 525 HA GLU 70 HA GLU 70 2.350 8.412 9.343 526 HB2 GLU 70 2HB GLU 70 4.003 10.013 9.785 527 HB3 GLU 70 3HB GLU 70 3.044 10.735 8.501 528 HG2 GLU 70 2HG GLU 70 1.999 12.234 9.978 529 HG3 GLU 70 3HG GLU 70 2.553 11.345 11.396 530 H CYS 71 HN CYS 71 -0.079 10.145 10.979 531 HA CYS 71 HA CYS 71 0.938 9.844 13.636 532 HB2 CYS 71 2HB CYS 71 -0.903 11.470 12.666 533 HB3 CYS 71 3HB CYS 71 -1.983 10.147 13.084 534 HG CYS 71 HG CYS 71 -1.399 12.478 14.997 535 H MET 72 HN MET 72 -1.073 7.946 11.495 536 HA MET 72 HA MET 72 -1.790 6.069 13.589 537 HB2 MET 72 2HB MET 72 -3.351 5.246 12.147 538 HB3 MET 72 3HB MET 72 -3.137 6.829 11.412 539 HG2 MET 72 2HG MET 72 -1.519 5.841 9.836 540 HG3 MET 72 3HG MET 72 -1.840 4.258 10.541 541 HE1 MET 72 1HE MET 72 -3.969 6.693 7.547 542 HE2 MET 72 2HE MET 72 -2.303 6.640 8.122 543 HE3 MET 72 3HE MET 72 -2.886 5.413 6.996 544 H VAL 73 HN VAL 73 0.977 6.603 12.046 545 HA VAL 73 HA VAL 73 1.747 3.775 12.160 546 HB VAL 73 HB VAL 73 3.278 4.263 10.157 547 HG11 VAL 73 1HG1 VAL 73 1.763 3.274 8.738 548 HG12 VAL 73 2HG1 VAL 73 1.035 2.919 10.305 549 HG13 VAL 73 3HG1 VAL 73 0.414 4.246 9.324 550 HG21 VAL 73 1HG2 VAL 73 1.917 5.933 8.605 551 HG22 VAL 73 2HG2 VAL 73 1.514 6.653 10.164 552 HG23 VAL 73 3HG2 VAL 73 3.201 6.491 9.677 553 H ALA 74 HN ALA 74 3.152 6.993 11.509 554 HA ALA 74 HA ALA 74 5.460 6.279 13.158 555 HB1 ALA 74 1HB ALA 74 4.959 8.207 10.978 556 HB2 ALA 74 2HB ALA 74 6.096 8.712 12.229 557 HB3 ALA 74 3HB ALA 74 6.383 7.225 11.323 558 H ALA 75 HN ALA 75 3.268 6.555 14.712 559 HA ALA 75 HA ALA 75 2.365 8.889 15.688 560 HB1 ALA 75 1HB ALA 75 1.872 6.623 16.606 561 HB2 ALA 75 2HB ALA 75 3.393 6.709 17.496 562 HB3 ALA 75 3HB ALA 75 2.106 7.867 17.835 Start of MODEL 4 1 H1 ALA 1 HN ALA 1 -20.783 -18.004 5.661 2 HA ALA 1 HA ALA 1 -20.546 -15.532 6.328 3 HB1 ALA 1 1HB ALA 1 -19.482 -16.615 4.301 4 HB2 ALA 1 2HB ALA 1 -20.850 -16.000 3.374 5 HB3 ALA 1 3HB ALA 1 -19.770 -14.878 4.200 6 H LEU 2 HN LEU 2 -22.728 -15.126 7.279 7 HA LEU 2 HA LEU 2 -24.959 -14.464 5.705 8 HB2 LEU 2 2HB LEU 2 -24.704 -14.850 8.271 9 HB3 LEU 2 3HB LEU 2 -24.412 -13.112 8.314 10 HG LEU 2 HG LEU 2 -26.739 -13.353 6.834 11 HD11 LEU 2 1HD1 LEU 2 -28.055 -14.682 8.712 12 HD12 LEU 2 2HD1 LEU 2 -26.522 -15.547 8.817 13 HD13 LEU 2 3HD1 LEU 2 -27.394 -15.481 7.286 14 HD21 LEU 2 1HD2 LEU 2 -26.126 -11.680 8.573 15 HD22 LEU 2 2HD2 LEU 2 -26.524 -12.880 9.803 16 HD23 LEU 2 3HD2 LEU 2 -27.776 -12.287 8.712 17 H ASP 3 HN ASP 3 -22.247 -12.538 6.872 18 HA ASP 3 HA ASP 3 -23.307 -10.054 5.908 19 HB2 ASP 3 2HB ASP 3 -20.881 -10.961 7.304 20 HB3 ASP 3 3HB ASP 3 -20.625 -9.605 6.209 21 HA PRO 4 HA PRO 4 -21.975 -10.083 1.730 22 HB2 PRO 4 2HB PRO 4 -21.185 -7.511 1.368 23 HB3 PRO 4 3HB PRO 4 -22.880 -7.980 1.534 24 HG2 PRO 4 2HG PRO 4 -21.019 -6.845 3.586 25 HG3 PRO 4 3HG PRO 4 -22.714 -6.437 3.266 26 HD2 PRO 4 2HD PRO 4 -21.966 -8.064 5.296 27 HD3 PRO 4 3HD PRO 4 -23.504 -8.261 4.434 28 H LEU 5 HN LEU 5 -19.710 -8.688 4.056 29 HA LEU 5 HA LEU 5 -17.437 -8.632 4.152 30 HB2 LEU 5 2HB LEU 5 -17.987 -11.207 2.727 31 HB3 LEU 5 3HB LEU 5 -16.331 -10.681 3.025 32 HG LEU 5 HG LEU 5 -16.808 -12.160 4.770 33 HD11 LEU 5 1HD1 LEU 5 -16.592 -10.860 6.707 34 HD12 LEU 5 2HD1 LEU 5 -17.534 -9.533 6.028 35 HD13 LEU 5 3HD1 LEU 5 -15.912 -9.866 5.418 36 HD21 LEU 5 1HD2 LEU 5 -18.888 -11.851 6.188 37 HD22 LEU 5 2HD2 LEU 5 -19.129 -12.503 4.568 38 HD23 LEU 5 3HD2 LEU 5 -19.490 -10.809 4.900 39 H VAL 6 HN VAL 6 -15.367 -9.053 2.584 40 HA VAL 6 HA VAL 6 -14.160 -8.261 0.823 41 HB VAL 6 HB VAL 6 -16.779 -8.353 -0.682 42 HG11 VAL 6 1HG1 VAL 6 -14.784 -8.842 -2.479 43 HG12 VAL 6 2HG1 VAL 6 -15.565 -7.278 -2.232 44 HG13 VAL 6 3HG1 VAL 6 -14.038 -7.642 -1.425 45 HG21 VAL 6 1HG2 VAL 6 -15.642 -10.483 0.475 46 HG22 VAL 6 2HG2 VAL 6 -16.486 -10.567 -1.071 47 HG23 VAL 6 3HG2 VAL 6 -14.727 -10.453 -1.032 48 H SER 7 HN SER 7 -13.396 -6.263 0.801 49 HA SER 7 HA SER 7 -15.112 -4.031 0.106 50 HB2 SER 7 2HB SER 7 -13.581 -3.230 2.415 51 HB3 SER 7 3HB SER 7 -15.321 -3.127 2.146 52 HG SER 7 HG SER 7 -15.592 -4.843 3.331 53 H CYS 8 HN CYS 8 -12.009 -4.113 1.818 54 HA CYS 8 HA CYS 8 -10.645 -2.202 0.534 55 HB2 CYS 8 2HB CYS 8 -9.784 -3.749 2.349 56 HB3 CYS 8 3HB CYS 8 -9.370 -4.886 1.070 57 H LYS 9 HN LYS 9 -9.255 -2.023 -1.271 58 HA LYS 9 HA LYS 9 -9.757 -3.996 -3.401 59 HB2 LYS 9 2HB LYS 9 -9.196 -1.169 -4.132 60 HB3 LYS 9 3HB LYS 9 -10.194 -2.364 -4.951 61 HG2 LYS 9 2HG LYS 9 -11.994 -2.022 -3.454 62 HG3 LYS 9 3HG LYS 9 -10.986 -1.083 -2.349 63 HD2 LYS 9 2HD LYS 9 -10.969 0.773 -3.745 64 HD3 LYS 9 3HD LYS 9 -11.385 -0.175 -5.175 65 HE2 LYS 9 2HE LYS 9 -13.438 0.685 -4.830 66 HE3 LYS 9 3HE LYS 9 -13.566 -0.615 -3.647 67 HZ1 LYS 9 1HZ LYS 9 -12.737 2.177 -3.066 68 HZ2 LYS 9 2HZ LYS 9 -12.849 0.929 -1.930 69 HZ3 LYS 9 3HZ LYS 9 -14.243 1.495 -2.702 70 H LEU 10 HN LEU 10 -7.531 -3.762 -1.478 71 HA LEU 10 HA LEU 10 -5.342 -3.390 -3.416 72 HB2 LEU 10 2HB LEU 10 -5.452 -2.735 -0.486 73 HB3 LEU 10 3HB LEU 10 -3.929 -2.913 -1.354 74 HG LEU 10 HG LEU 10 -5.967 -0.982 -2.368 75 HD11 LEU 10 1HD1 LEU 10 -5.488 -0.753 0.192 76 HD12 LEU 10 2HD1 LEU 10 -5.473 0.669 -0.851 77 HD13 LEU 10 3HD1 LEU 10 -3.954 -0.082 -0.362 78 HD21 LEU 10 1HD2 LEU 10 -4.243 -0.114 -3.542 79 HD22 LEU 10 2HD2 LEU 10 -3.573 -1.730 -3.316 80 HD23 LEU 10 3HD2 LEU 10 -3.072 -0.410 -2.257 81 H CYS 11 HN CYS 11 -6.913 -5.445 -1.186 82 HA CYS 11 HA CYS 11 -4.882 -7.509 -1.666 83 HB2 CYS 11 2HB CYS 11 -5.078 -8.293 0.654 84 HB3 CYS 11 3HB CYS 11 -4.473 -6.642 0.586 85 H LEU 12 HN LEU 12 -7.892 -6.625 -2.241 86 HA LEU 12 HA LEU 12 -9.958 -7.657 -2.374 87 HB2 LEU 12 2HB LEU 12 -8.058 -9.647 -3.605 88 HB3 LEU 12 3HB LEU 12 -9.808 -9.681 -3.814 89 HG LEU 12 HG LEU 12 -8.148 -7.313 -4.639 90 HD11 LEU 12 1HD1 LEU 12 -9.015 -9.087 -6.777 91 HD12 LEU 12 2HD1 LEU 12 -7.817 -9.819 -5.712 92 HD13 LEU 12 3HD1 LEU 12 -7.462 -8.293 -6.520 93 HD21 LEU 12 1HD2 LEU 12 -10.222 -6.510 -4.886 94 HD22 LEU 12 2HD2 LEU 12 -10.958 -8.110 -4.781 95 HD23 LEU 12 3HD2 LEU 12 -10.295 -7.543 -6.314 96 H GLY 13 HN GLY 13 -9.262 -7.973 0.196 97 HA2 GLY 13 1HA GLY 13 -9.637 -10.837 0.785 98 HA3 GLY 13 2HA GLY 13 -8.966 -9.657 1.902 99 H GLU 14 HN GLU 14 -10.602 -10.694 3.334 100 HA GLU 14 HA GLU 14 -13.198 -9.337 3.024 101 HB2 GLU 14 2HB GLU 14 -13.071 -11.880 4.561 102 HB3 GLU 14 3HB GLU 14 -14.385 -11.211 3.603 103 HG2 GLU 14 2HG GLU 14 -13.408 -11.937 1.580 104 HG3 GLU 14 3HG GLU 14 -11.879 -12.315 2.371 105 H TYR 15 HN TYR 15 -13.328 -7.790 4.502 106 HA TYR 15 HA TYR 15 -12.785 -8.425 7.287 107 HB2 TYR 15 2HB TYR 15 -11.615 -5.861 6.307 108 HB3 TYR 15 3HB TYR 15 -11.138 -6.861 7.675 109 HD1 TYR 15 1HD TYR 15 -10.733 -6.266 4.100 110 HD2 TYR 15 2HD TYR 15 -9.694 -8.814 7.345 111 HE1 TYR 15 1HE TYR 15 -8.917 -7.234 2.751 112 HE2 TYR 15 2HE TYR 15 -7.875 -9.786 6.006 113 HH TYR 15 HH TYR 15 -6.428 -8.935 3.971 114 HA PRO 16 HA PRO 16 -16.334 -5.921 7.947 115 HB2 PRO 16 2HB PRO 16 -15.897 -5.123 10.505 116 HB3 PRO 16 3HB PRO 16 -16.370 -6.771 10.080 117 HG2 PRO 16 2HG PRO 16 -13.652 -5.682 10.702 118 HG3 PRO 16 3HG PRO 16 -14.397 -7.201 11.235 119 HD2 PRO 16 2HD PRO 16 -12.612 -7.089 9.202 120 HD3 PRO 16 3HD PRO 16 -13.935 -8.272 9.246 121 H VAL 17 HN VAL 17 -16.763 -3.687 9.287 122 HA VAL 17 HA VAL 17 -15.195 -1.710 7.828 123 HB VAL 17 HB VAL 17 -17.880 -1.758 9.073 124 HG11 VAL 17 1HG1 VAL 17 -17.974 0.720 9.140 125 HG12 VAL 17 2HG1 VAL 17 -16.908 0.025 10.363 126 HG13 VAL 17 3HG1 VAL 17 -16.227 0.757 8.909 127 HG21 VAL 17 1HG2 VAL 17 -16.906 -0.189 6.703 128 HG22 VAL 17 2HG2 VAL 17 -17.304 -1.905 6.598 129 HG23 VAL 17 3HG2 VAL 17 -18.544 -0.738 7.058 130 H GLU 18 HN GLU 18 -15.482 -2.998 10.985 131 HA GLU 18 HA GLU 18 -14.375 -0.662 12.303 132 HB2 GLU 18 2HB GLU 18 -15.227 -3.389 13.248 133 HB3 GLU 18 3HB GLU 18 -14.338 -2.292 14.296 134 HG2 GLU 18 2HG GLU 18 -16.811 -1.343 12.931 135 HG3 GLU 18 3HG GLU 18 -16.935 -2.360 14.365 136 H GLN 19 HN GLN 19 -13.027 -2.683 10.273 137 HA GLN 19 HA GLN 19 -10.515 -2.894 11.798 138 HB2 GLN 19 2HB GLN 19 -11.864 -4.820 9.970 139 HB3 GLN 19 3HB GLN 19 -10.106 -4.758 9.943 140 HG2 GLN 19 2HG GLN 19 -9.932 -5.427 12.175 141 HG3 GLN 19 3HG GLN 19 -11.625 -5.065 12.506 142 HE21 GLN 19 1HE2 GLN 19 -9.794 -7.024 10.173 143 HE22 GLN 19 2HE2 GLN 19 -10.753 -8.449 10.362 144 H MET 20 HN MET 20 -12.097 -1.556 9.131 145 HA MET 20 HA MET 20 -9.603 -1.115 7.656 146 HB2 MET 20 2HB MET 20 -12.093 0.008 6.564 147 HB3 MET 20 3HB MET 20 -10.840 -0.937 5.771 148 HG2 MET 20 2HG MET 20 -11.922 -2.853 7.283 149 HG3 MET 20 3HG MET 20 -13.330 -1.810 7.092 150 HE1 MET 20 1HE MET 20 -10.674 -2.280 3.810 151 HE2 MET 20 2HE MET 20 -10.324 -3.083 5.341 152 HE3 MET 20 3HE MET 20 -10.924 -4.018 3.971 153 H THR 21 HN THR 21 -9.601 1.174 6.559 154 HA THR 21 HA THR 21 -10.406 3.225 8.500 155 HB THR 21 HB THR 21 -7.628 2.872 7.368 156 HG1 THR 21 1HG THR 21 -7.832 1.771 9.271 157 HG21 THR 21 1HG2 THR 21 -8.881 5.249 8.735 158 HG22 THR 21 2HG2 THR 21 -8.081 5.197 7.165 159 HG23 THR 21 3HG2 THR 21 -7.138 4.999 8.642 160 H THR 22 HN THR 22 -11.100 5.101 7.617 161 HA THR 22 HA THR 22 -11.621 5.163 4.805 162 HB THR 22 HB THR 22 -12.131 7.131 7.028 163 HG1 THR 22 1HG THR 22 -13.467 5.203 6.730 164 HG21 THR 22 1HG2 THR 22 -11.900 8.662 5.327 165 HG22 THR 22 2HG2 THR 22 -13.592 8.208 5.117 166 HG23 THR 22 3HG2 THR 22 -12.353 7.504 4.078 167 H ILE 23 HN ILE 23 -10.862 6.648 3.271 168 HA ILE 23 HA ILE 23 -8.124 7.211 3.336 169 HB ILE 23 HB ILE 23 -10.322 8.311 1.594 170 HG12 ILE 23 2HG1 ILE 23 -9.960 6.017 1.135 171 HG13 ILE 23 3HG1 ILE 23 -9.061 6.880 -0.108 172 HG21 ILE 23 1HG2 ILE 23 -8.910 9.984 1.116 173 HG22 ILE 23 2HG2 ILE 23 -7.533 9.160 1.846 174 HG23 ILE 23 3HG2 ILE 23 -8.027 8.765 0.200 175 HD11 ILE 23 1HD1 ILE 23 -7.983 5.492 2.324 176 HD12 ILE 23 2HD1 ILE 23 -7.686 5.115 0.627 177 HD13 ILE 23 3HD1 ILE 23 -7.021 6.588 1.332 178 H ALA 24 HN ALA 24 -10.145 9.935 2.559 179 HA ALA 24 HA ALA 24 -10.243 11.470 4.776 180 HB1 ALA 24 1HB ALA 24 -7.449 11.300 3.779 181 HB2 ALA 24 2HB ALA 24 -8.030 12.852 4.383 182 HB3 ALA 24 3HB ALA 24 -8.056 11.433 5.430 183 H GLN 25 HN GLN 25 -11.371 11.189 2.155 184 HA GLN 25 HA GLN 25 -12.012 13.823 1.560 185 HB2 GLN 25 2HB GLN 25 -9.510 12.970 0.396 186 HB3 GLN 25 3HB GLN 25 -10.678 13.349 -0.864 187 HG2 GLN 25 2HG GLN 25 -9.636 15.143 1.304 188 HG3 GLN 25 3HG GLN 25 -9.490 15.333 -0.443 189 HE21 GLN 25 1HE2 GLN 25 -11.036 16.456 2.197 190 HE22 GLN 25 2HE2 GLN 25 -12.473 17.077 1.466 191 H CYS 26 HN CYS 26 -11.439 10.646 0.104 192 HA CYS 26 HA CYS 26 -13.824 10.938 -1.555 193 HB2 CYS 26 2HB CYS 26 -13.114 8.872 -2.627 194 HB3 CYS 26 3HB CYS 26 -11.765 10.001 -2.557 195 H GLN 27 HN GLN 27 -12.683 9.258 1.277 196 HA GLN 27 HA GLN 27 -13.841 8.164 2.915 197 HB2 GLN 27 2HB GLN 27 -16.358 8.429 1.287 198 HB3 GLN 27 3HB GLN 27 -16.197 8.267 3.031 199 HG2 GLN 27 2HG GLN 27 -15.000 10.645 1.716 200 HG3 GLN 27 3HG GLN 27 -16.750 10.574 1.903 201 HE21 GLN 27 1HE2 GLN 27 -13.720 10.961 3.478 202 HE22 GLN 27 2HE2 GLN 27 -14.336 11.313 5.054 203 H CYS 28 HN CYS 28 -12.421 6.624 1.351 204 HA CYS 28 HA CYS 28 -14.150 4.473 0.355 205 HB2 CYS 28 2HB CYS 28 -11.261 5.174 -0.128 206 HB3 CYS 28 3HB CYS 28 -11.913 3.597 -0.561 207 H ILE 29 HN ILE 29 -13.083 2.217 0.665 208 HA ILE 29 HA ILE 29 -12.359 1.980 3.512 209 HB ILE 29 HB ILE 29 -14.541 0.903 2.413 210 HG12 ILE 29 2HG1 ILE 29 -14.298 -0.934 4.197 211 HG13 ILE 29 3HG1 ILE 29 -12.726 -0.219 4.541 212 HG21 ILE 29 1HG2 ILE 29 -14.208 -1.406 1.806 213 HG22 ILE 29 2HG2 ILE 29 -13.209 -0.384 0.772 214 HG23 ILE 29 3HG2 ILE 29 -12.475 -1.272 2.109 215 HD11 ILE 29 1HD1 ILE 29 -13.989 0.877 6.071 216 HD12 ILE 29 2HD1 ILE 29 -14.178 1.982 4.708 217 HD13 ILE 29 3HD1 ILE 29 -15.447 0.815 5.081 218 H PHE 30 HN PHE 30 -10.407 1.224 3.978 219 HA PHE 30 HA PHE 30 -9.121 -0.743 2.286 220 HB2 PHE 30 2HB PHE 30 -7.907 1.990 2.734 221 HB3 PHE 30 3HB PHE 30 -7.031 0.609 2.083 222 HD1 PHE 30 1HD PHE 30 -9.060 3.415 1.320 223 HD2 PHE 30 2HD PHE 30 -7.967 -0.460 -0.058 224 HE1 PHE 30 1HE PHE 30 -9.818 4.011 -0.944 225 HE2 PHE 30 2HE PHE 30 -8.722 0.129 -2.324 226 HZ PHE 30 HZ PHE 30 -9.649 2.367 -2.770 227 H CYS 31 HN CYS 31 -8.313 -2.217 3.609 228 HA CYS 31 HA CYS 31 -8.175 -1.977 6.378 229 HB2 CYS 31 2HB CYS 31 -7.131 -4.107 6.392 230 HB3 CYS 31 3HB CYS 31 -8.199 -4.108 4.991 231 H THR 32 HN THR 32 -6.766 -1.066 7.720 232 HA THR 32 HA THR 32 -4.854 0.707 7.201 233 HB THR 32 HB THR 32 -4.078 -1.266 9.298 234 HG1 THR 32 1HG THR 32 -6.401 0.384 9.442 235 HG21 THR 32 1HG2 THR 32 -4.392 1.739 9.297 236 HG22 THR 32 2HG2 THR 32 -2.881 0.866 9.045 237 HG23 THR 32 3HG2 THR 32 -3.708 0.765 10.598 238 H LEU 33 HN LEU 33 -4.264 -2.793 7.274 239 HA LEU 33 HA LEU 33 -1.586 -2.977 6.954 240 HB2 LEU 33 2HB LEU 33 -3.879 -4.554 6.050 241 HB3 LEU 33 3HB LEU 33 -2.423 -4.794 5.087 242 HG LEU 33 HG LEU 33 -2.936 -6.340 7.127 243 HD11 LEU 33 1HD1 LEU 33 -0.971 -6.854 6.104 244 HD12 LEU 33 2HD1 LEU 33 -0.333 -6.203 7.613 245 HD13 LEU 33 3HD1 LEU 33 -0.374 -5.195 6.165 246 HD21 LEU 33 1HD2 LEU 33 -1.265 -4.509 8.708 247 HD22 LEU 33 2HD2 LEU 33 -2.579 -5.573 9.211 248 HD23 LEU 33 3HD2 LEU 33 -2.941 -4.003 8.491 249 H CYS 34 HN CYS 34 -3.713 -2.976 4.092 250 HA CYS 34 HA CYS 34 -1.641 -2.350 2.287 251 HB2 CYS 34 2HB CYS 34 -4.573 -1.794 1.840 252 HB3 CYS 34 3HB CYS 34 -3.343 -2.142 0.629 253 H LEU 35 HN LEU 35 -4.292 -0.315 3.531 254 HA LEU 35 HA LEU 35 -3.541 2.072 2.334 255 HB2 LEU 35 2HB LEU 35 -5.647 1.507 3.664 256 HB3 LEU 35 3HB LEU 35 -4.707 1.915 5.098 257 HG LEU 35 HG LEU 35 -6.279 3.686 4.025 258 HD11 LEU 35 1HD1 LEU 35 -4.243 3.832 5.760 259 HD12 LEU 35 2HD1 LEU 35 -5.151 5.241 5.213 260 HD13 LEU 35 3HD1 LEU 35 -3.602 4.848 4.469 261 HD21 LEU 35 1HD2 LEU 35 -3.824 4.193 2.367 262 HD22 LEU 35 2HD2 LEU 35 -5.395 4.990 2.274 263 HD23 LEU 35 3HD2 LEU 35 -5.223 3.315 1.748 264 H LYS 36 HN LYS 36 -1.922 0.317 4.729 265 HA LYS 36 HA LYS 36 -0.538 2.637 5.825 266 HB2 LYS 36 2HB LYS 36 -1.123 0.971 7.440 267 HB3 LYS 36 3HB LYS 36 -0.423 -0.311 6.460 268 HG2 LYS 36 2HG LYS 36 1.743 1.239 6.805 269 HG3 LYS 36 3HG LYS 36 0.868 1.596 8.296 270 HD2 LYS 36 2HD LYS 36 1.472 -1.190 7.308 271 HD3 LYS 36 3HD LYS 36 2.467 -0.314 8.474 272 HE2 LYS 36 2HE LYS 36 -0.468 -0.677 8.944 273 HE3 LYS 36 3HE LYS 36 0.664 -1.972 9.327 274 HZ1 LYS 36 1HZ LYS 36 0.015 0.154 10.928 275 HZ2 LYS 36 2HZ LYS 36 1.554 0.537 10.342 276 HZ3 LYS 36 3HZ LYS 36 1.301 -0.922 11.160 277 H GLN 37 HN GLN 37 0.659 -0.524 4.698 278 HA GLN 37 HA GLN 37 3.241 0.135 4.166 279 HB2 GLN 37 2HB GLN 37 1.603 -2.033 3.613 280 HB3 GLN 37 3HB GLN 37 2.160 -1.522 2.026 281 HG2 GLN 37 2HG GLN 37 4.461 -1.727 2.722 282 HG3 GLN 37 3HG GLN 37 3.955 -2.123 4.364 283 HE21 GLN 37 1HE2 GLN 37 2.198 -3.984 4.275 284 HE22 GLN 37 2HE2 GLN 37 2.704 -5.372 3.380 285 H TYR 38 HN TYR 38 0.455 1.204 2.457 286 HA TYR 38 HA TYR 38 1.914 2.011 0.091 287 HB2 TYR 38 2HB TYR 38 -0.149 1.760 -0.746 288 HB3 TYR 38 3HB TYR 38 -0.867 1.732 0.861 289 HD1 TYR 38 1HD TYR 38 0.883 4.399 -1.091 290 HD2 TYR 38 2HD TYR 38 -2.655 3.186 0.937 291 HE1 TYR 38 1HE TYR 38 -0.102 6.615 -1.499 292 HE2 TYR 38 2HE TYR 38 -3.652 5.399 0.533 293 HH TYR 38 HH TYR 38 -1.843 7.947 -1.157 294 H VAL 39 HN VAL 39 -0.162 3.853 2.333 295 HA VAL 39 HA VAL 39 0.814 6.373 1.666 296 HB VAL 39 HB VAL 39 -0.203 7.199 3.680 297 HG11 VAL 39 1HG1 VAL 39 -1.762 4.893 2.521 298 HG12 VAL 39 2HG1 VAL 39 -2.451 6.177 3.516 299 HG13 VAL 39 3HG1 VAL 39 -1.749 6.558 1.943 300 HG21 VAL 39 1HG2 VAL 39 -0.125 4.330 4.589 301 HG22 VAL 39 2HG2 VAL 39 0.643 5.728 5.341 302 HG23 VAL 39 3HG2 VAL 39 -1.113 5.565 5.370 303 H GLU 40 HN GLU 40 1.759 4.264 4.377 304 HA GLU 40 HA GLU 40 3.525 5.688 5.774 305 HB2 GLU 40 2HB GLU 40 3.498 2.866 4.897 306 HB3 GLU 40 3HB GLU 40 5.041 3.459 5.494 307 HG2 GLU 40 2HG GLU 40 3.369 2.357 7.129 308 HG3 GLU 40 3HG GLU 40 4.246 3.805 7.621 309 H LEU 41 HN LEU 41 4.789 3.776 3.046 310 HA LEU 41 HA LEU 41 7.255 4.882 2.803 311 HB2 LEU 41 2HB LEU 41 5.353 3.683 0.884 312 HB3 LEU 41 3HB LEU 41 6.703 4.582 0.195 313 HG LEU 41 HG LEU 41 8.238 3.021 0.816 314 HD11 LEU 41 1HD1 LEU 41 8.111 3.090 3.144 315 HD12 LEU 41 2HD1 LEU 41 7.771 1.406 2.749 316 HD13 LEU 41 3HD1 LEU 41 6.449 2.497 3.165 317 HD21 LEU 41 1HD2 LEU 41 7.462 0.884 0.267 318 HD22 LEU 41 2HD2 LEU 41 6.346 1.978 -0.550 319 HD23 LEU 41 3HD2 LEU 41 5.866 1.187 0.953 320 H LEU 42 HN LEU 42 4.593 5.950 0.684 321 HA LEU 42 HA LEU 42 5.764 8.229 -0.303 322 HB2 LEU 42 2HB LEU 42 2.887 7.602 0.290 323 HB3 LEU 42 3HB LEU 42 3.377 9.101 -0.498 324 HG LEU 42 HG LEU 42 4.062 6.393 -1.616 325 HD11 LEU 42 1HD1 LEU 42 1.516 7.896 -1.702 326 HD12 LEU 42 2HD1 LEU 42 1.819 6.162 -1.819 327 HD13 LEU 42 3HD1 LEU 42 2.088 7.200 -3.219 328 HD21 LEU 42 1HD2 LEU 42 3.838 8.099 -3.694 329 HD22 LEU 42 2HD2 LEU 42 5.349 7.777 -2.841 330 HD23 LEU 42 3HD2 LEU 42 4.391 9.202 -2.435 331 H ILE 43 HN ILE 43 3.250 8.381 2.218 332 HA ILE 43 HA ILE 43 3.479 10.921 3.057 333 HB ILE 43 HB ILE 43 2.465 8.555 4.202 334 HG12 ILE 43 2HG1 ILE 43 1.536 10.537 5.816 335 HG13 ILE 43 3HG1 ILE 43 2.114 11.477 4.445 336 HG21 ILE 43 1HG2 ILE 43 4.033 10.151 6.222 337 HG22 ILE 43 2HG2 ILE 43 2.978 8.779 6.554 338 HG23 ILE 43 3HG2 ILE 43 4.468 8.544 5.641 339 HD11 ILE 43 1HD1 ILE 43 -0.340 10.253 4.679 340 HD12 ILE 43 2HD1 ILE 43 0.381 10.880 3.197 341 HD13 ILE 43 3HD1 ILE 43 0.565 9.176 3.615 342 H LYS 44 HN LYS 44 5.838 8.411 3.564 343 HA LYS 44 HA LYS 44 7.363 9.845 5.525 344 HB2 LYS 44 2HB LYS 44 7.425 7.243 4.277 345 HB3 LYS 44 3HB LYS 44 9.031 7.957 4.275 346 HG2 LYS 44 2HG LYS 44 8.613 6.569 6.254 347 HG3 LYS 44 3HG LYS 44 8.952 8.251 6.668 348 HD2 LYS 44 2HD LYS 44 7.124 7.986 7.978 349 HD3 LYS 44 3HD LYS 44 6.276 8.365 6.478 350 HE2 LYS 44 2HE LYS 44 5.168 6.456 6.959 351 HE3 LYS 44 3HE LYS 44 6.563 5.713 6.180 352 HZ1 LYS 44 1HZ LYS 44 6.171 4.601 8.230 353 HZ2 LYS 44 2HZ LYS 44 6.115 6.054 9.092 354 HZ3 LYS 44 3HZ LYS 44 7.575 5.525 8.422 355 H GLU 45 HN GLU 45 7.663 9.251 2.040 356 HA GLU 45 HA GLU 45 10.065 10.796 1.796 357 HB2 GLU 45 2HB GLU 45 8.928 8.888 0.254 358 HB3 GLU 45 3HB GLU 45 8.408 10.330 -0.609 359 HG2 GLU 45 2HG GLU 45 11.147 9.249 -0.197 360 HG3 GLU 45 3HG GLU 45 10.381 9.851 -1.665 361 H GLY 46 HN GLY 46 6.679 11.305 0.807 362 HA2 GLY 46 1HA GLY 46 5.517 13.223 0.320 363 HA3 GLY 46 2HA GLY 46 6.544 13.984 1.526 364 H LEU 47 HN LEU 47 7.101 12.671 -1.742 365 HA LEU 47 HA LEU 47 8.796 14.939 -2.364 366 HB2 LEU 47 2HB LEU 47 9.057 13.734 -4.561 367 HB3 LEU 47 3HB LEU 47 9.629 12.877 -3.130 368 HG LEU 47 HG LEU 47 6.871 12.281 -4.033 369 HD11 LEU 47 1HD1 LEU 47 7.459 10.965 -5.859 370 HD12 LEU 47 2HD1 LEU 47 9.175 10.989 -5.449 371 HD13 LEU 47 3HD1 LEU 47 8.401 12.438 -6.092 372 HD21 LEU 47 1HD2 LEU 47 7.248 10.752 -2.460 373 HD22 LEU 47 2HD2 LEU 47 8.975 11.106 -2.429 374 HD23 LEU 47 3HD2 LEU 47 8.330 9.962 -3.608 375 H GLU 48 HN GLU 48 5.620 13.712 -3.186 376 HA GLU 48 HA GLU 48 4.452 16.090 -3.834 377 HB2 GLU 48 2HB GLU 48 4.432 15.866 -6.409 378 HB3 GLU 48 3HB GLU 48 5.840 16.585 -5.639 379 HG2 GLU 48 2HG GLU 48 6.547 13.965 -5.697 380 HG3 GLU 48 3HG GLU 48 5.586 14.102 -7.168 381 H THR 49 HN THR 49 4.720 12.689 -4.365 382 HA THR 49 HA THR 49 2.554 11.884 -5.729 383 HB THR 49 HB THR 49 3.260 10.745 -3.019 384 HG1 THR 49 1HG THR 49 4.494 10.595 -5.532 385 HG21 THR 49 1HG2 THR 49 2.504 8.818 -4.998 386 HG22 THR 49 2HG2 THR 49 1.251 10.053 -4.875 387 HG23 THR 49 3HG2 THR 49 1.753 9.161 -3.440 388 H ALA 50 HN ALA 50 2.501 13.569 -2.691 389 HA ALA 50 HA ALA 50 0.817 14.437 -1.428 390 HB1 ALA 50 1HB ALA 50 0.030 15.670 -3.217 391 HB2 ALA 50 2HB ALA 50 -0.457 14.237 -4.125 392 HB3 ALA 50 3HB ALA 50 -1.403 14.762 -2.733 393 H ILE 51 HN ILE 51 1.054 11.362 -2.079 394 HA ILE 51 HA ILE 51 -0.113 9.427 -1.628 395 HB ILE 51 HB ILE 51 -0.652 11.091 0.834 396 HG12 ILE 51 2HG1 ILE 51 1.270 9.820 1.755 397 HG13 ILE 51 3HG1 ILE 51 1.497 9.062 0.182 398 HG21 ILE 51 1HG2 ILE 51 -2.192 9.160 0.603 399 HG22 ILE 51 2HG2 ILE 51 -0.789 8.094 0.548 400 HG23 ILE 51 3HG2 ILE 51 -1.121 9.041 1.998 401 HD11 ILE 51 1HD1 ILE 51 2.913 11.139 0.908 402 HD12 ILE 51 2HD1 ILE 51 2.357 10.957 -0.756 403 HD13 ILE 51 3HD1 ILE 51 1.497 12.028 0.350 404 H SER 52 HN SER 52 -1.736 9.479 -3.218 405 HA SER 52 HA SER 52 -4.341 10.543 -2.377 406 HB2 SER 52 2HB SER 52 -4.305 9.527 -5.082 407 HB3 SER 52 3HB SER 52 -4.640 11.162 -4.511 408 HG SER 52 HG SER 52 -2.722 11.718 -5.140 409 H CYS 53 HN CYS 53 -6.257 9.251 -2.802 410 HA CYS 53 HA CYS 53 -6.468 6.899 -1.584 411 HB2 CYS 53 2HB CYS 53 -8.382 8.071 -2.592 412 HB3 CYS 53 3HB CYS 53 -7.866 7.541 -4.190 413 HA PRO 54 HA PRO 54 -3.941 3.954 -3.694 414 HB2 PRO 54 2HB PRO 54 -4.940 1.715 -2.528 415 HB3 PRO 54 3HB PRO 54 -3.858 2.833 -1.691 416 HG2 PRO 54 2HG PRO 54 -6.840 2.610 -1.540 417 HG3 PRO 54 3HG PRO 54 -5.668 2.849 -0.230 418 HD2 PRO 54 2HD PRO 54 -7.118 4.883 -1.275 419 HD3 PRO 54 3HD PRO 54 -5.474 5.108 -0.645 420 H ASP 55 HN ASP 55 -7.170 4.473 -4.239 421 HA ASP 55 HA ASP 55 -7.910 2.140 -5.671 422 HB2 ASP 55 2HB ASP 55 -9.447 3.956 -4.734 423 HB3 ASP 55 3HB ASP 55 -9.020 4.900 -6.160 424 H ALA 56 HN ALA 56 -8.391 2.117 -8.024 425 HA ALA 56 HA ALA 56 -6.148 3.311 -9.497 426 HB1 ALA 56 1HB ALA 56 -7.833 0.874 -10.002 427 HB2 ALA 56 2HB ALA 56 -6.775 1.564 -11.234 428 HB3 ALA 56 3HB ALA 56 -6.094 0.971 -9.720 429 H ALA 57 HN ALA 57 -8.807 4.570 -8.795 430 HA ALA 57 HA ALA 57 -9.194 6.251 -10.871 431 HB1 ALA 57 1HB ALA 57 -11.328 5.133 -11.911 432 HB2 ALA 57 2HB ALA 57 -9.718 4.746 -12.518 433 HB3 ALA 57 3HB ALA 57 -10.530 3.644 -11.406 434 H CYS 58 HN CYS 58 -9.512 6.197 -8.090 435 HA CYS 58 HA CYS 58 -12.026 5.985 -7.028 436 HB2 CYS 58 2HB CYS 58 -9.994 6.596 -5.747 437 HB3 CYS 58 3HB CYS 58 -10.060 8.209 -6.449 438 HA PRO 59 HA PRO 59 -14.508 8.875 -9.263 439 HB2 PRO 59 2HB PRO 59 -16.621 8.932 -7.560 440 HB3 PRO 59 3HB PRO 59 -16.296 7.572 -8.643 441 HG2 PRO 59 2HG PRO 59 -15.667 7.867 -5.730 442 HG3 PRO 59 3HG PRO 59 -16.320 6.465 -6.598 443 HD2 PRO 59 2HD PRO 59 -13.709 6.664 -5.906 444 HD3 PRO 59 3HD PRO 59 -14.247 5.821 -7.373 445 H LYS 60 HN LYS 60 -13.195 9.391 -6.155 446 HA LYS 60 HA LYS 60 -13.840 12.257 -6.346 447 HB2 LYS 60 2HB LYS 60 -13.617 10.641 -3.800 448 HB3 LYS 60 3HB LYS 60 -13.917 12.372 -3.898 449 HG2 LYS 60 2HG LYS 60 -16.022 11.864 -5.132 450 HG3 LYS 60 3HG LYS 60 -15.735 10.153 -4.808 451 HD2 LYS 60 2HD LYS 60 -16.478 10.332 -2.709 452 HD3 LYS 60 3HD LYS 60 -15.516 11.782 -2.412 453 HE2 LYS 60 2HE LYS 60 -17.195 13.198 -3.214 454 HE3 LYS 60 3HE LYS 60 -18.029 11.887 -4.045 455 HZ1 LYS 60 1HZ LYS 60 -18.267 12.771 -1.323 456 HZ2 LYS 60 2HZ LYS 60 -18.069 11.097 -1.458 457 HZ3 LYS 60 3HZ LYS 60 -19.344 11.865 -2.262 458 H GLN 61 HN GLN 61 -11.475 9.904 -6.295 459 HA GLN 61 HA GLN 61 -9.231 9.883 -5.738 460 HB2 GLN 61 2HB GLN 61 -9.591 12.435 -7.312 461 HB3 GLN 61 3HB GLN 61 -8.027 11.705 -6.974 462 HG2 GLN 61 2HG GLN 61 -9.647 9.678 -8.061 463 HG3 GLN 61 3HG GLN 61 -9.882 11.113 -9.057 464 HE21 GLN 61 1HE2 GLN 61 -8.183 11.919 -10.248 465 HE22 GLN 61 2HE2 GLN 61 -6.712 11.047 -10.487 466 H GLY 62 HN GLY 62 -9.970 10.306 -3.402 467 HA2 GLY 62 1HA GLY 62 -9.429 12.950 -2.372 468 HA3 GLY 62 2HA GLY 62 -9.839 11.524 -1.430 469 H HIS 63 HN HIS 63 -7.720 13.607 -1.111 470 HA HIS 63 HA HIS 63 -5.307 11.959 -1.347 471 HB2 HIS 63 2HB HIS 63 -5.750 14.907 -0.924 472 HB3 HIS 63 3HB HIS 63 -4.180 14.162 -0.637 473 HD1 HIS 63 1HD HIS 63 -5.894 15.921 -3.161 474 HD2 HIS 63 2HD HIS 63 -3.437 12.571 -3.153 475 HE1 HIS 63 1HE HIS 63 -5.056 15.697 -5.521 476 H LEU 64 HN LEU 64 -3.784 11.958 0.481 477 HA LEU 64 HA LEU 64 -5.243 11.821 3.030 478 HB2 LEU 64 2HB LEU 64 -2.774 10.408 2.053 479 HB3 LEU 64 3HB LEU 64 -3.301 10.372 3.734 480 HG LEU 64 HG LEU 64 -3.892 8.363 2.308 481 HD11 LEU 64 1HD1 LEU 64 -5.794 7.960 3.542 482 HD12 LEU 64 2HD1 LEU 64 -6.367 9.622 3.402 483 HD13 LEU 64 3HD1 LEU 64 -5.025 9.241 4.480 484 HD21 LEU 64 1HD2 LEU 64 -5.765 8.526 0.822 485 HD22 LEU 64 2HD2 LEU 64 -4.548 9.696 0.313 486 HD23 LEU 64 3HD2 LEU 64 -5.976 10.236 1.199 487 H GLN 65 HN GLN 65 -3.947 12.319 4.993 488 HA GLN 65 HA GLN 65 -2.517 14.817 4.584 489 HB2 GLN 65 2HB GLN 65 -2.738 13.905 7.342 490 HB3 GLN 65 3HB GLN 65 -3.292 15.403 6.607 491 HG2 GLN 65 2HG GLN 65 -5.261 14.466 7.320 492 HG3 GLN 65 3HG GLN 65 -5.193 13.931 5.641 493 HE21 GLN 65 1HE2 GLN 65 -2.967 12.056 6.478 494 HE22 GLN 65 2HE2 GLN 65 -3.793 10.709 7.175 495 H GLU 66 HN GLU 66 -0.505 15.260 5.724 496 HA GLU 66 HA GLU 66 1.298 12.978 5.545 497 HB2 GLU 66 2HB GLU 66 1.604 15.936 5.491 498 HB3 GLU 66 3HB GLU 66 2.961 14.995 6.096 499 HG2 GLU 66 2HG GLU 66 3.459 14.147 4.067 500 HG3 GLU 66 3HG GLU 66 1.773 14.075 3.560 501 H ASN 67 HN ASN 67 -0.161 15.043 7.910 502 HA ASN 67 HA ASN 67 1.652 14.186 10.018 503 HB2 ASN 67 2HB ASN 67 0.518 16.544 9.709 504 HB3 ASN 67 3HB ASN 67 -0.827 15.775 10.547 505 HD21 ASN 67 1HD2 ASN 67 -0.773 15.671 12.688 506 HD22 ASN 67 2HD2 ASN 67 0.594 16.048 13.674 507 H GLU 68 HN GLU 68 -1.807 13.944 9.231 508 HA GLU 68 HA GLU 68 -2.587 12.386 11.410 509 HB2 GLU 68 2HB GLU 68 -3.743 13.280 8.954 510 HB3 GLU 68 3HB GLU 68 -4.097 11.569 9.146 511 HG2 GLU 68 2HG GLU 68 -4.507 13.118 11.580 512 HG3 GLU 68 3HG GLU 68 -5.523 13.630 10.234 513 H ILE 69 HN ILE 69 -2.107 11.175 8.088 514 HA ILE 69 HA ILE 69 -2.173 8.498 8.533 515 HB ILE 69 HB ILE 69 -0.371 10.028 6.665 516 HG12 ILE 69 2HG1 ILE 69 -3.128 9.022 6.609 517 HG13 ILE 69 3HG1 ILE 69 -2.379 10.305 5.667 518 HG21 ILE 69 1HG2 ILE 69 0.088 7.952 5.509 519 HG22 ILE 69 2HG2 ILE 69 0.623 7.837 7.184 520 HG23 ILE 69 3HG2 ILE 69 -0.876 7.056 6.681 521 HD11 ILE 69 1HD1 ILE 69 -3.199 8.451 4.285 522 HD12 ILE 69 2HD1 ILE 69 -1.458 8.687 4.135 523 HD13 ILE 69 3HD1 ILE 69 -2.088 7.362 5.114 524 H GLU 70 HN GLU 70 0.874 10.361 8.513 525 HA GLU 70 HA GLU 70 2.539 8.352 9.439 526 HB2 GLU 70 2HB GLU 70 4.146 10.006 9.828 527 HB3 GLU 70 3HB GLU 70 3.130 10.700 8.573 528 HG2 GLU 70 2HG GLU 70 2.069 12.153 10.090 529 HG3 GLU 70 3HG GLU 70 2.717 11.291 11.485 530 H CYS 71 HN CYS 71 0.136 10.119 11.128 531 HA CYS 71 HA CYS 71 1.193 9.840 13.758 532 HB2 CYS 71 2HB CYS 71 -0.847 11.283 12.678 533 HB3 CYS 71 3HB CYS 71 -1.741 9.986 13.465 534 HG CYS 71 HG CYS 71 0.608 11.743 15.196 535 H MET 72 HN MET 72 -1.041 7.946 11.782 536 HA MET 72 HA MET 72 -1.592 6.057 13.873 537 HB2 MET 72 2HB MET 72 -3.073 5.073 12.410 538 HB3 MET 72 3HB MET 72 -3.020 6.709 11.767 539 HG2 MET 72 2HG MET 72 -0.978 5.466 10.425 540 HG3 MET 72 3HG MET 72 -2.189 4.195 10.564 541 HE1 MET 72 1HE MET 72 -1.484 4.719 7.847 542 HE2 MET 72 2HE MET 72 -3.047 3.926 8.045 543 HE3 MET 72 3HE MET 72 -2.883 5.291 6.940 544 H VAL 73 HN VAL 73 1.189 6.618 12.459 545 HA VAL 73 HA VAL 73 1.986 3.793 12.515 546 HB VAL 73 HB VAL 73 3.694 4.673 10.640 547 HG11 VAL 73 1HG1 VAL 73 1.087 3.854 9.531 548 HG12 VAL 73 2HG1 VAL 73 2.689 3.149 9.309 549 HG13 VAL 73 3HG1 VAL 73 1.767 2.801 10.771 550 HG21 VAL 73 1HG2 VAL 73 2.031 6.816 10.768 551 HG22 VAL 73 2HG2 VAL 73 2.978 6.370 9.349 552 HG23 VAL 73 3HG2 VAL 73 1.287 5.881 9.471 553 H ALA 74 HN ALA 74 3.546 6.945 11.918 554 HA ALA 74 HA ALA 74 5.715 6.213 13.706 555 HB1 ALA 74 1HB ALA 74 6.637 7.247 11.892 556 HB2 ALA 74 2HB ALA 74 5.269 8.340 11.678 557 HB3 ALA 74 3HB ALA 74 6.444 8.638 12.959 558 H ALA 75 HN ALA 75 2.994 6.753 14.747 559 HA ALA 75 HA ALA 75 2.449 9.102 15.909 560 HB1 ALA 75 1HB ALA 75 1.692 6.504 16.389 561 HB2 ALA 75 2HB ALA 75 2.378 7.011 17.933 562 HB3 ALA 75 3HB ALA 75 1.061 7.932 17.208 Start of MODEL 5 1 H1 ALA 1 HN ALA 1 -24.947 -13.415 9.187 2 HA ALA 1 HA ALA 1 -22.550 -14.044 8.225 3 HB1 ALA 1 1HB ALA 1 -22.496 -16.021 9.618 4 HB2 ALA 1 2HB ALA 1 -23.377 -14.733 10.441 5 HB3 ALA 1 3HB ALA 1 -24.260 -16.058 9.681 6 H LEU 2 HN LEU 2 -25.186 -14.657 6.458 7 HA LEU 2 HA LEU 2 -24.370 -17.206 5.330 8 HB2 LEU 2 2HB LEU 2 -26.490 -15.462 4.155 9 HB3 LEU 2 3HB LEU 2 -26.379 -17.222 4.182 10 HG LEU 2 HG LEU 2 -26.628 -16.248 6.863 11 HD11 LEU 2 1HD1 LEU 2 -27.761 -14.402 5.302 12 HD12 LEU 2 2HD1 LEU 2 -28.427 -14.874 6.865 13 HD13 LEU 2 3HD1 LEU 2 -29.092 -15.557 5.381 14 HD21 LEU 2 1HD2 LEU 2 -28.288 -17.866 7.002 15 HD22 LEU 2 2HD2 LEU 2 -27.232 -18.489 5.735 16 HD23 LEU 2 3HD2 LEU 2 -28.744 -17.687 5.308 17 H ASP 3 HN ASP 3 -23.018 -14.368 5.089 18 HA ASP 3 HA ASP 3 -21.991 -14.857 2.444 19 HB2 ASP 3 2HB ASP 3 -22.490 -12.334 1.877 20 HB3 ASP 3 3HB ASP 3 -23.695 -13.578 1.556 21 HA PRO 4 HA PRO 4 -18.396 -13.149 4.305 22 HB2 PRO 4 2HB PRO 4 -17.017 -12.424 2.082 23 HB3 PRO 4 3HB PRO 4 -17.219 -14.108 2.582 24 HG2 PRO 4 2HG PRO 4 -18.724 -12.551 0.514 25 HG3 PRO 4 3HG PRO 4 -18.106 -14.212 0.435 26 HD2 PRO 4 2HD PRO 4 -20.703 -13.645 0.955 27 HD3 PRO 4 3HD PRO 4 -19.879 -15.061 1.638 28 H LEU 5 HN LEU 5 -16.914 -11.135 4.033 29 HA LEU 5 HA LEU 5 -18.663 -8.808 4.096 30 HB2 LEU 5 2HB LEU 5 -15.816 -9.277 4.938 31 HB3 LEU 5 3HB LEU 5 -16.553 -7.676 4.934 32 HG LEU 5 HG LEU 5 -18.021 -9.760 6.419 33 HD11 LEU 5 1HD1 LEU 5 -16.509 -9.447 8.393 34 HD12 LEU 5 2HD1 LEU 5 -15.319 -8.761 7.288 35 HD13 LEU 5 3HD1 LEU 5 -15.843 -10.432 7.090 36 HD21 LEU 5 1HD2 LEU 5 -17.813 -6.914 6.288 37 HD22 LEU 5 2HD2 LEU 5 -17.469 -7.447 7.935 38 HD23 LEU 5 3HD2 LEU 5 -18.986 -7.904 7.158 39 H VAL 6 HN VAL 6 -15.275 -8.725 3.166 40 HA VAL 6 HA VAL 6 -14.215 -8.073 1.248 41 HB VAL 6 HB VAL 6 -16.865 -8.057 -0.179 42 HG11 VAL 6 1HG1 VAL 6 -15.665 -7.723 -2.024 43 HG12 VAL 6 2HG1 VAL 6 -14.277 -7.421 -0.976 44 HG13 VAL 6 3HG1 VAL 6 -14.561 -9.038 -1.620 45 HG21 VAL 6 1HG2 VAL 6 -15.078 -10.402 0.435 46 HG22 VAL 6 2HG2 VAL 6 -16.773 -10.196 0.876 47 HG23 VAL 6 3HG2 VAL 6 -16.323 -10.419 -0.815 48 H SER 7 HN SER 7 -13.491 -6.067 1.036 49 HA SER 7 HA SER 7 -15.251 -3.874 0.423 50 HB2 SER 7 2HB SER 7 -13.675 -3.100 2.749 51 HB3 SER 7 3HB SER 7 -15.392 -2.861 2.426 52 HG SER 7 HG SER 7 -15.230 -4.208 4.180 53 H CYS 8 HN CYS 8 -12.033 -4.337 1.897 54 HA CYS 8 HA CYS 8 -10.715 -2.269 0.647 55 HB2 CYS 8 2HB CYS 8 -9.812 -3.772 2.458 56 HB3 CYS 8 3HB CYS 8 -9.481 -4.969 1.211 57 H LYS 9 HN LYS 9 -9.545 -2.017 -1.241 58 HA LYS 9 HA LYS 9 -10.137 -3.989 -3.347 59 HB2 LYS 9 2HB LYS 9 -9.379 -1.129 -3.874 60 HB3 LYS 9 3HB LYS 9 -10.227 -2.253 -4.927 61 HG2 LYS 9 2HG LYS 9 -11.830 -1.996 -2.648 62 HG3 LYS 9 3HG LYS 9 -11.284 -0.365 -3.045 63 HD2 LYS 9 2HD LYS 9 -11.964 -0.944 -5.455 64 HD3 LYS 9 3HD LYS 9 -12.848 -2.293 -4.736 65 HE2 LYS 9 2HE LYS 9 -14.350 -0.916 -3.672 66 HE3 LYS 9 3HE LYS 9 -13.230 0.444 -3.620 67 HZ1 LYS 9 1HZ LYS 9 -15.260 0.311 -5.308 68 HZ2 LYS 9 2HZ LYS 9 -14.079 -0.436 -6.260 69 HZ3 LYS 9 3HZ LYS 9 -13.824 1.128 -5.670 70 H LEU 10 HN LEU 10 -7.665 -2.460 -1.560 71 HA LEU 10 HA LEU 10 -5.544 -2.594 -3.420 72 HB2 LEU 10 2HB LEU 10 -5.745 -2.406 -0.449 73 HB3 LEU 10 3HB LEU 10 -4.182 -2.758 -1.184 74 HG LEU 10 HG LEU 10 -5.799 -0.355 -1.984 75 HD11 LEU 10 1HD1 LEU 10 -4.875 0.950 -0.315 76 HD12 LEU 10 2HD1 LEU 10 -3.601 -0.217 0.037 77 HD13 LEU 10 3HD1 LEU 10 -5.258 -0.543 0.543 78 HD21 LEU 10 1HD2 LEU 10 -3.069 -1.400 -2.459 79 HD22 LEU 10 2HD2 LEU 10 -3.238 0.344 -2.253 80 HD23 LEU 10 3HD2 LEU 10 -4.138 -0.487 -3.524 81 H CYS 11 HN CYS 11 -6.697 -4.862 -0.950 82 HA CYS 11 HA CYS 11 -5.021 -6.940 -2.200 83 HB2 CYS 11 2HB CYS 11 -4.832 -8.028 -0.049 84 HB3 CYS 11 3HB CYS 11 -4.324 -6.351 0.116 85 H LEU 12 HN LEU 12 -8.033 -5.886 -2.192 86 HA LEU 12 HA LEU 12 -10.122 -6.782 -2.407 87 HB2 LEU 12 2HB LEU 12 -8.421 -8.964 -3.600 88 HB3 LEU 12 3HB LEU 12 -10.176 -8.904 -3.731 89 HG LEU 12 HG LEU 12 -9.393 -6.438 -4.682 90 HD11 LEU 12 1HD1 LEU 12 -7.678 -6.979 -6.385 91 HD12 LEU 12 2HD1 LEU 12 -7.425 -8.533 -5.590 92 HD13 LEU 12 3HD1 LEU 12 -7.066 -7.035 -4.732 93 HD21 LEU 12 1HD2 LEU 12 -10.031 -9.019 -6.098 94 HD22 LEU 12 2HD2 LEU 12 -9.913 -7.460 -6.916 95 HD23 LEU 12 3HD2 LEU 12 -11.139 -7.714 -5.672 96 H GLY 13 HN GLY 13 -8.583 -7.420 0.084 97 HA2 GLY 13 1HA GLY 13 -9.280 -10.070 0.879 98 HA3 GLY 13 2HA GLY 13 -8.752 -8.773 1.940 99 H GLU 14 HN GLU 14 -10.228 -7.684 3.138 100 HA GLU 14 HA GLU 14 -12.899 -7.271 2.634 101 HB2 GLU 14 2HB GLU 14 -13.756 -9.092 4.349 102 HB3 GLU 14 3HB GLU 14 -13.601 -9.451 2.635 103 HG2 GLU 14 2HG GLU 14 -11.959 -10.937 2.961 104 HG3 GLU 14 3HG GLU 14 -11.187 -9.965 4.214 105 H TYR 15 HN TYR 15 -11.827 -8.844 5.607 106 HA TYR 15 HA TYR 15 -11.617 -8.091 7.743 107 HB2 TYR 15 2HB TYR 15 -10.902 -5.391 6.619 108 HB3 TYR 15 3HB TYR 15 -10.329 -6.146 8.102 109 HD1 TYR 15 1HD TYR 15 -8.441 -7.596 8.096 110 HD2 TYR 15 2HD TYR 15 -10.064 -6.198 4.420 111 HE1 TYR 15 1HE TYR 15 -6.456 -8.434 6.909 112 HE2 TYR 15 2HE TYR 15 -8.084 -7.034 3.221 113 HH TYR 15 HH TYR 15 -6.318 -8.709 3.529 114 HA PRO 16 HA PRO 16 -15.442 -6.219 8.829 115 HB2 PRO 16 2HB PRO 16 -14.913 -5.510 11.396 116 HB3 PRO 16 3HB PRO 16 -15.169 -7.186 10.895 117 HG2 PRO 16 2HG PRO 16 -12.601 -5.726 11.384 118 HG3 PRO 16 3HG PRO 16 -13.063 -7.370 11.865 119 HD2 PRO 16 2HD PRO 16 -11.494 -6.867 9.717 120 HD3 PRO 16 3HD PRO 16 -12.617 -8.241 9.779 121 H VAL 17 HN VAL 17 -16.447 -4.213 9.251 122 HA VAL 17 HA VAL 17 -15.219 -1.959 8.166 123 HB VAL 17 HB VAL 17 -17.779 -2.598 9.186 124 HG11 VAL 17 1HG1 VAL 17 -18.420 -0.653 10.427 125 HG12 VAL 17 2HG1 VAL 17 -17.029 -1.383 11.230 126 HG13 VAL 17 3HG1 VAL 17 -16.819 0.059 10.235 127 HG21 VAL 17 1HG2 VAL 17 -17.884 -1.665 7.128 128 HG22 VAL 17 2HG2 VAL 17 -18.130 -0.186 8.058 129 HG23 VAL 17 3HG2 VAL 17 -16.529 -0.578 7.430 130 H GLU 18 HN GLU 18 -14.893 -3.317 11.268 131 HA GLU 18 HA GLU 18 -14.009 -0.805 12.474 132 HB2 GLU 18 2HB GLU 18 -13.703 -2.351 14.515 133 HB3 GLU 18 3HB GLU 18 -15.339 -1.978 13.992 134 HG2 GLU 18 2HG GLU 18 -15.764 -4.098 13.330 135 HG3 GLU 18 3HG GLU 18 -14.096 -4.400 12.845 136 H GLN 19 HN GLN 19 -12.630 -2.741 10.409 137 HA GLN 19 HA GLN 19 -10.020 -2.736 11.778 138 HB2 GLN 19 2HB GLN 19 -11.353 -4.799 10.118 139 HB3 GLN 19 3HB GLN 19 -9.629 -4.572 9.846 140 HG2 GLN 19 2HG GLN 19 -9.247 -4.913 12.265 141 HG3 GLN 19 3HG GLN 19 -10.965 -5.257 12.454 142 HE21 GLN 19 1HE2 GLN 19 -10.862 -7.352 13.037 143 HE22 GLN 19 2HE2 GLN 19 -10.221 -8.611 12.043 144 H MET 20 HN MET 20 -11.865 -1.638 9.142 145 HA MET 20 HA MET 20 -9.561 -1.070 7.461 146 HB2 MET 20 2HB MET 20 -12.230 0.051 6.806 147 HB3 MET 20 3HB MET 20 -11.035 -0.697 5.754 148 HG2 MET 20 2HG MET 20 -11.835 -2.787 7.338 149 HG3 MET 20 3HG MET 20 -13.321 -1.865 7.122 150 HE1 MET 20 1HE MET 20 -10.672 -4.080 4.380 151 HE2 MET 20 2HE MET 20 -10.597 -2.442 3.731 152 HE3 MET 20 3HE MET 20 -10.186 -2.740 5.420 153 H THR 21 HN THR 21 -9.582 1.231 6.459 154 HA THR 21 HA THR 21 -10.148 3.250 8.514 155 HB THR 21 HB THR 21 -7.511 2.920 7.075 156 HG1 THR 21 1HG THR 21 -8.127 1.738 9.147 157 HG21 THR 21 1HG2 THR 21 -8.609 5.190 8.717 158 HG22 THR 21 2HG2 THR 21 -7.883 5.247 7.109 159 HG23 THR 21 3HG2 THR 21 -6.876 4.925 8.521 160 H THR 22 HN THR 22 -10.898 5.153 7.748 161 HA THR 22 HA THR 22 -11.626 5.301 4.975 162 HB THR 22 HB THR 22 -12.012 7.223 7.271 163 HG1 THR 22 1HG THR 22 -13.742 6.049 7.541 164 HG21 THR 22 1HG2 THR 22 -13.747 7.838 5.121 165 HG22 THR 22 2HG2 THR 22 -12.109 7.772 4.470 166 HG23 THR 22 3HG2 THR 22 -12.479 8.845 5.820 167 H ILE 23 HN ILE 23 -10.760 6.527 3.384 168 HA ILE 23 HA ILE 23 -8.115 7.275 3.390 169 HB ILE 23 HB ILE 23 -10.384 8.353 1.723 170 HG12 ILE 23 2HG1 ILE 23 -10.023 6.032 1.306 171 HG13 ILE 23 3HG1 ILE 23 -9.254 6.901 -0.018 172 HG21 ILE 23 1HG2 ILE 23 -9.038 9.922 0.918 173 HG22 ILE 23 2HG2 ILE 23 -7.747 9.392 1.994 174 HG23 ILE 23 3HG2 ILE 23 -7.911 8.672 0.393 175 HD11 ILE 23 1HD1 ILE 23 -7.788 5.166 0.620 176 HD12 ILE 23 2HD1 ILE 23 -7.091 6.666 1.232 177 HD13 ILE 23 3HD1 ILE 23 -7.935 5.574 2.329 178 H ALA 24 HN ALA 24 -10.418 9.878 2.854 179 HA ALA 24 HA ALA 24 -10.313 11.383 5.091 180 HB1 ALA 24 1HB ALA 24 -8.077 11.582 5.430 181 HB2 ALA 24 2HB ALA 24 -7.688 11.418 3.717 182 HB3 ALA 24 3HB ALA 24 -8.297 12.951 4.341 183 H GLN 25 HN GLN 25 -10.217 11.212 1.662 184 HA GLN 25 HA GLN 25 -11.633 13.790 1.500 185 HB2 GLN 25 2HB GLN 25 -9.391 12.724 -0.087 186 HB3 GLN 25 3HB GLN 25 -10.694 13.433 -1.033 187 HG2 GLN 25 2HG GLN 25 -9.015 14.752 1.077 188 HG3 GLN 25 3HG GLN 25 -9.112 15.141 -0.639 189 HE21 GLN 25 1HE2 GLN 25 -10.522 15.550 2.469 190 HE22 GLN 25 2HE2 GLN 25 -11.736 16.690 2.011 191 H CYS 26 HN CYS 26 -11.155 10.727 -0.262 192 HA CYS 26 HA CYS 26 -13.738 10.941 -1.523 193 HB2 CYS 26 2HB CYS 26 -13.178 8.755 -2.519 194 HB3 CYS 26 3HB CYS 26 -11.879 9.924 -2.737 195 H GLN 27 HN GLN 27 -12.357 9.314 1.235 196 HA GLN 27 HA GLN 27 -13.377 8.314 3.022 197 HB2 GLN 27 2HB GLN 27 -16.036 8.574 1.640 198 HB3 GLN 27 3HB GLN 27 -15.703 8.486 3.365 199 HG2 GLN 27 2HG GLN 27 -14.652 10.779 1.776 200 HG3 GLN 27 3HG GLN 27 -16.345 10.750 2.263 201 HE21 GLN 27 1HE2 GLN 27 -13.270 11.643 3.145 202 HE22 GLN 27 2HE2 GLN 27 -13.530 11.884 4.835 203 H CYS 28 HN CYS 28 -12.201 6.771 1.126 204 HA CYS 28 HA CYS 28 -14.026 4.634 0.380 205 HB2 CYS 28 2HB CYS 28 -11.110 5.171 -0.155 206 HB3 CYS 28 3HB CYS 28 -11.852 3.623 -0.546 207 H ILE 29 HN ILE 29 -12.841 2.339 0.661 208 HA ILE 29 HA ILE 29 -12.185 2.117 3.526 209 HB ILE 29 HB ILE 29 -14.398 1.069 2.392 210 HG12 ILE 29 2HG1 ILE 29 -14.491 -0.447 4.327 211 HG13 ILE 29 3HG1 ILE 29 -12.763 -0.225 4.587 212 HG21 ILE 29 1HG2 ILE 29 -14.102 -1.282 1.957 213 HG22 ILE 29 2HG2 ILE 29 -13.038 -0.357 0.899 214 HG23 ILE 29 3HG2 ILE 29 -12.381 -1.169 2.320 215 HD11 ILE 29 1HD1 ILE 29 -14.496 2.183 4.550 216 HD12 ILE 29 2HD1 ILE 29 -14.549 1.124 5.960 217 HD13 ILE 29 3HD1 ILE 29 -13.024 1.857 5.465 218 H PHE 30 HN PHE 30 -10.265 1.282 3.999 219 HA PHE 30 HA PHE 30 -9.053 -0.734 2.308 220 HB2 PHE 30 2HB PHE 30 -7.772 1.971 2.729 221 HB3 PHE 30 3HB PHE 30 -6.905 0.558 2.136 222 HD1 PHE 30 1HD PHE 30 -8.045 -0.620 0.061 223 HD2 PHE 30 2HD PHE 30 -8.630 3.441 1.193 224 HE1 PHE 30 1HE PHE 30 -8.737 -0.082 -2.238 225 HE2 PHE 30 2HE PHE 30 -9.325 3.985 -1.104 226 HZ PHE 30 HZ PHE 30 -9.380 2.223 -2.823 227 H CYS 31 HN CYS 31 -8.288 -2.234 3.629 228 HA CYS 31 HA CYS 31 -8.142 -1.998 6.398 229 HB2 CYS 31 2HB CYS 31 -7.166 -4.160 6.412 230 HB3 CYS 31 3HB CYS 31 -8.233 -4.128 5.012 231 H THR 32 HN THR 32 -6.718 -1.100 7.729 232 HA THR 32 HA THR 32 -4.740 0.595 7.195 233 HB THR 32 HB THR 32 -4.460 -1.481 9.375 234 HG1 THR 32 1HG THR 32 -6.256 0.563 9.004 235 HG21 THR 32 1HG2 THR 32 -3.137 0.136 10.530 236 HG22 THR 32 2HG2 THR 32 -3.499 1.377 9.330 237 HG23 THR 32 3HG2 THR 32 -2.484 0.002 8.898 238 H LEU 33 HN LEU 33 -4.192 -2.912 7.492 239 HA LEU 33 HA LEU 33 -1.516 -3.104 7.101 240 HB2 LEU 33 2HB LEU 33 -3.784 -4.789 6.128 241 HB3 LEU 33 3HB LEU 33 -2.130 -5.194 5.672 242 HG LEU 33 HG LEU 33 -2.508 -4.782 8.548 243 HD11 LEU 33 1HD1 LEU 33 -4.116 -6.804 7.050 244 HD12 LEU 33 2HD1 LEU 33 -4.573 -5.803 8.428 245 HD13 LEU 33 3HD1 LEU 33 -3.495 -7.180 8.657 246 HD21 LEU 33 1HD2 LEU 33 -0.443 -5.639 7.713 247 HD22 LEU 33 2HD2 LEU 33 -1.270 -6.908 6.809 248 HD23 LEU 33 3HD2 LEU 33 -1.257 -6.945 8.573 249 H CYS 34 HN CYS 34 -3.949 -2.746 4.536 250 HA CYS 34 HA CYS 34 -1.942 -2.584 2.473 251 HB2 CYS 34 2HB CYS 34 -4.934 -2.162 2.450 252 HB3 CYS 34 3HB CYS 34 -3.923 -2.026 1.014 253 H LEU 35 HN LEU 35 -4.405 -0.310 3.698 254 HA LEU 35 HA LEU 35 -3.508 1.942 2.326 255 HB2 LEU 35 2HB LEU 35 -5.653 1.600 3.671 256 HB3 LEU 35 3HB LEU 35 -4.696 2.046 5.083 257 HG LEU 35 HG LEU 35 -6.149 3.832 3.872 258 HD11 LEU 35 1HD1 LEU 35 -5.036 4.975 5.416 259 HD12 LEU 35 2HD1 LEU 35 -3.817 5.307 4.185 260 HD13 LEU 35 3HD1 LEU 35 -3.622 3.930 5.270 261 HD21 LEU 35 1HD2 LEU 35 -5.058 3.224 1.645 262 HD22 LEU 35 2HD2 LEU 35 -3.650 4.111 2.229 263 HD23 LEU 35 3HD2 LEU 35 -5.197 4.937 2.038 264 H LYS 36 HN LYS 36 -1.984 0.234 4.797 265 HA LYS 36 HA LYS 36 -0.486 2.524 5.799 266 HB2 LYS 36 2HB LYS 36 -1.174 0.918 7.458 267 HB3 LYS 36 3HB LYS 36 -0.462 -0.404 6.542 268 HG2 LYS 36 2HG LYS 36 1.625 1.397 6.969 269 HG3 LYS 36 3HG LYS 36 0.741 1.327 8.496 270 HD2 LYS 36 2HD LYS 36 0.844 -1.306 7.793 271 HD3 LYS 36 3HD LYS 36 2.382 -0.711 7.166 272 HE2 LYS 36 2HE LYS 36 2.494 0.440 9.544 273 HE3 LYS 36 3HE LYS 36 1.399 -0.875 9.971 274 HZ1 LYS 36 1HZ LYS 36 3.661 -1.749 8.438 275 HZ2 LYS 36 2HZ LYS 36 3.045 -2.351 9.893 276 HZ3 LYS 36 3HZ LYS 36 4.105 -1.033 9.905 277 H GLN 37 HN GLN 37 0.552 -0.731 4.790 278 HA GLN 37 HA GLN 37 3.158 -0.264 4.244 279 HB2 GLN 37 2HB GLN 37 1.411 -2.324 3.728 280 HB3 GLN 37 3HB GLN 37 1.909 -1.839 2.112 281 HG2 GLN 37 2HG GLN 37 4.080 -2.468 2.436 282 HG3 GLN 37 3HG GLN 37 4.005 -2.228 4.180 283 HE21 GLN 37 1HE2 GLN 37 2.637 -3.781 5.380 284 HE22 GLN 37 2HE2 GLN 37 2.629 -5.426 4.854 285 H TYR 38 HN TYR 38 0.458 0.960 2.478 286 HA TYR 38 HA TYR 38 2.008 1.679 0.143 287 HB2 TYR 38 2HB TYR 38 -0.066 1.491 -0.702 288 HB3 TYR 38 3HB TYR 38 -0.810 1.620 0.887 289 HD1 TYR 38 1HD TYR 38 -2.457 3.232 0.869 290 HD2 TYR 38 2HD TYR 38 1.175 3.997 -1.211 291 HE1 TYR 38 1HE TYR 38 -3.256 5.491 0.316 292 HE2 TYR 38 2HE TYR 38 0.387 6.258 -1.769 293 HH TYR 38 HH TYR 38 -1.223 7.763 -1.506 294 H VAL 39 HN VAL 39 -0.011 3.655 2.320 295 HA VAL 39 HA VAL 39 1.166 6.101 1.668 296 HB VAL 39 HB VAL 39 0.083 7.029 3.585 297 HG11 VAL 39 1HG1 VAL 39 -2.203 6.136 3.346 298 HG12 VAL 39 2HG1 VAL 39 -1.408 6.380 1.791 299 HG13 VAL 39 3HG1 VAL 39 -1.552 4.756 2.464 300 HG21 VAL 39 1HG2 VAL 39 0.790 5.566 5.325 301 HG22 VAL 39 2HG2 VAL 39 -0.973 5.524 5.298 302 HG23 VAL 39 3HG2 VAL 39 -0.049 4.195 4.599 303 H GLU 40 HN GLU 40 1.821 3.947 4.427 304 HA GLU 40 HA GLU 40 3.676 5.377 5.814 305 HB2 GLU 40 2HB GLU 40 2.794 2.828 5.947 306 HB3 GLU 40 3HB GLU 40 4.421 2.551 5.344 307 HG2 GLU 40 2HG GLU 40 4.317 4.430 7.568 308 HG3 GLU 40 3HG GLU 40 3.710 2.825 7.969 309 H LEU 41 HN LEU 41 4.078 3.873 2.698 310 HA LEU 41 HA LEU 41 6.944 4.162 2.659 311 HB2 LEU 41 2HB LEU 41 4.898 3.396 0.600 312 HB3 LEU 41 3HB LEU 41 6.598 3.615 0.190 313 HG LEU 41 HG LEU 41 5.564 1.238 0.761 314 HD11 LEU 41 1HD1 LEU 41 7.780 0.470 1.217 315 HD12 LEU 41 2HD1 LEU 41 8.277 2.067 1.774 316 HD13 LEU 41 3HD1 LEU 41 7.891 1.808 0.073 317 HD21 LEU 41 1HD2 LEU 41 5.875 0.590 3.033 318 HD22 LEU 41 2HD2 LEU 41 4.852 2.028 3.029 319 HD23 LEU 41 3HD2 LEU 41 6.562 2.161 3.449 320 H LEU 42 HN LEU 42 4.181 5.811 1.166 321 HA LEU 42 HA LEU 42 5.894 7.799 -0.054 322 HB2 LEU 42 2HB LEU 42 2.943 7.298 0.004 323 HB3 LEU 42 3HB LEU 42 3.578 8.836 -0.577 324 HG LEU 42 HG LEU 42 4.608 6.302 -1.768 325 HD11 LEU 42 1HD1 LEU 42 2.733 6.633 -3.496 326 HD12 LEU 42 2HD1 LEU 42 1.896 7.495 -2.206 327 HD13 LEU 42 3HD1 LEU 42 2.346 5.805 -1.988 328 HD21 LEU 42 1HD2 LEU 42 4.445 9.177 -2.449 329 HD22 LEU 42 2HD2 LEU 42 4.312 8.029 -3.781 330 HD23 LEU 42 3HD2 LEU 42 5.737 8.011 -2.740 331 H ILE 43 HN ILE 43 3.136 7.990 2.205 332 HA ILE 43 HA ILE 43 3.223 10.555 3.003 333 HB ILE 43 HB ILE 43 2.113 8.246 4.061 334 HG12 ILE 43 2HG1 ILE 43 1.253 10.175 5.778 335 HG13 ILE 43 3HG1 ILE 43 1.916 11.162 4.480 336 HG21 ILE 43 1HG2 ILE 43 4.088 8.050 5.541 337 HG22 ILE 43 2HG2 ILE 43 3.687 9.622 6.231 338 HG23 ILE 43 3HG2 ILE 43 2.576 8.266 6.424 339 HD11 ILE 43 1HD1 ILE 43 0.274 9.015 3.459 340 HD12 ILE 43 2HD1 ILE 43 -0.606 10.046 4.589 341 HD13 ILE 43 3HD1 ILE 43 0.174 10.752 3.174 342 H LYS 44 HN LYS 44 5.659 8.171 3.628 343 HA LYS 44 HA LYS 44 6.983 9.605 5.723 344 HB2 LYS 44 2HB LYS 44 7.217 7.057 4.474 345 HB3 LYS 44 3HB LYS 44 8.784 7.850 4.371 346 HG2 LYS 44 2HG LYS 44 8.550 6.458 6.380 347 HG3 LYS 44 3HG LYS 44 8.834 8.158 6.762 348 HD2 LYS 44 2HD LYS 44 7.089 7.895 8.158 349 HD3 LYS 44 3HD LYS 44 6.121 8.084 6.694 350 HE2 LYS 44 2HE LYS 44 5.336 6.017 6.901 351 HE3 LYS 44 3HE LYS 44 6.973 5.362 6.931 352 HZ1 LYS 44 1HZ LYS 44 5.197 5.326 8.994 353 HZ2 LYS 44 2HZ LYS 44 6.237 6.594 9.407 354 HZ3 LYS 44 3HZ LYS 44 6.862 5.048 9.116 355 H GLU 45 HN GLU 45 7.596 9.142 2.252 356 HA GLU 45 HA GLU 45 9.894 10.810 2.185 357 HB2 GLU 45 2HB GLU 45 8.448 9.167 0.358 358 HB3 GLU 45 3HB GLU 45 8.641 10.755 -0.371 359 HG2 GLU 45 2HG GLU 45 10.564 9.808 -1.085 360 HG3 GLU 45 3HG GLU 45 11.131 10.425 0.465 361 H GLY 46 HN GLY 46 6.779 11.391 0.549 362 HA2 GLY 46 1HA GLY 46 5.508 13.309 0.389 363 HA3 GLY 46 2HA GLY 46 6.471 13.997 1.689 364 H LEU 47 HN LEU 47 6.817 13.089 -1.743 365 HA LEU 47 HA LEU 47 8.528 15.453 -2.105 366 HB2 LEU 47 2HB LEU 47 9.251 14.356 -4.198 367 HB3 LEU 47 3HB LEU 47 9.618 13.422 -2.749 368 HG LEU 47 HG LEU 47 7.185 12.836 -4.407 369 HD11 LEU 47 1HD1 LEU 47 9.729 11.329 -4.788 370 HD12 LEU 47 2HD1 LEU 47 9.465 12.827 -5.680 371 HD13 LEU 47 3HD1 LEU 47 8.337 11.483 -5.862 372 HD21 LEU 47 1HD2 LEU 47 6.886 11.200 -2.939 373 HD22 LEU 47 2HD2 LEU 47 8.230 11.846 -1.996 374 HD23 LEU 47 3HD2 LEU 47 8.521 10.600 -3.212 375 H GLU 48 HN GLU 48 5.533 13.983 -3.029 376 HA GLU 48 HA GLU 48 4.287 16.249 -3.915 377 HB2 GLU 48 2HB GLU 48 4.341 15.795 -6.452 378 HB3 GLU 48 3HB GLU 48 5.715 16.616 -5.724 379 HG2 GLU 48 2HG GLU 48 6.953 14.512 -5.676 380 HG3 GLU 48 3HG GLU 48 5.576 13.688 -6.406 381 H THR 49 HN THR 49 4.731 12.814 -4.326 382 HA THR 49 HA THR 49 2.553 11.881 -5.583 383 HB THR 49 HB THR 49 3.364 10.802 -2.880 384 HG1 THR 49 1HG THR 49 4.506 10.346 -5.454 385 HG21 THR 49 1HG2 THR 49 1.940 9.151 -3.327 386 HG22 THR 49 2HG2 THR 49 2.797 8.808 -4.830 387 HG23 THR 49 3HG2 THR 49 1.465 9.963 -4.818 388 H ALA 50 HN ALA 50 2.540 13.609 -2.569 389 HA ALA 50 HA ALA 50 0.875 14.330 -1.190 390 HB1 ALA 50 1HB ALA 50 0.152 15.628 -3.020 391 HB2 ALA 50 2HB ALA 50 -0.546 14.229 -3.837 392 HB3 ALA 50 3HB ALA 50 -1.302 14.865 -2.375 393 H ILE 51 HN ILE 51 1.163 11.323 -1.891 394 HA ILE 51 HA ILE 51 -0.014 9.354 -1.588 395 HB ILE 51 HB ILE 51 -0.585 10.886 0.951 396 HG12 ILE 51 2HG1 ILE 51 1.369 9.709 1.829 397 HG13 ILE 51 3HG1 ILE 51 1.579 8.874 0.293 398 HG21 ILE 51 1HG2 ILE 51 -0.588 7.898 0.624 399 HG22 ILE 51 2HG2 ILE 51 -1.128 8.847 2.008 400 HG23 ILE 51 3HG2 ILE 51 -2.053 8.873 0.507 401 HD11 ILE 51 1HD1 ILE 51 2.506 10.674 -0.713 402 HD12 ILE 51 2HD1 ILE 51 1.566 11.830 0.233 403 HD13 ILE 51 3HD1 ILE 51 2.966 11.034 0.951 404 H SER 52 HN SER 52 -1.623 9.533 -3.204 405 HA SER 52 HA SER 52 -4.233 10.548 -2.336 406 HB2 SER 52 2HB SER 52 -2.869 10.748 -4.761 407 HB3 SER 52 3HB SER 52 -4.132 9.557 -5.068 408 HG SER 52 HG SER 52 -5.139 11.437 -5.418 409 H CYS 53 HN CYS 53 -6.158 9.273 -2.835 410 HA CYS 53 HA CYS 53 -6.401 6.907 -1.639 411 HB2 CYS 53 2HB CYS 53 -8.301 8.081 -2.641 412 HB3 CYS 53 3HB CYS 53 -7.755 7.619 -4.250 413 HA PRO 54 HA PRO 54 -3.864 3.970 -3.744 414 HB2 PRO 54 2HB PRO 54 -4.905 1.721 -2.634 415 HB3 PRO 54 3HB PRO 54 -3.831 2.818 -1.757 416 HG2 PRO 54 2HG PRO 54 -6.816 2.620 -1.670 417 HG3 PRO 54 3HG PRO 54 -5.670 2.827 -0.334 418 HD2 PRO 54 2HD PRO 54 -7.081 4.890 -1.376 419 HD3 PRO 54 3HD PRO 54 -5.448 5.091 -0.709 420 H ASP 55 HN ASP 55 -7.028 4.582 -4.406 421 HA ASP 55 HA ASP 55 -7.440 2.262 -6.136 422 HB2 ASP 55 2HB ASP 55 -9.254 3.281 -4.619 423 HB3 ASP 55 3HB ASP 55 -9.343 4.574 -5.811 424 H ALA 56 HN ALA 56 -6.853 2.308 -8.193 425 HA ALA 56 HA ALA 56 -6.048 4.796 -9.432 426 HB1 ALA 56 1HB ALA 56 -4.590 3.007 -9.867 427 HB2 ALA 56 2HB ALA 56 -5.914 1.919 -10.287 428 HB3 ALA 56 3HB ALA 56 -5.485 3.244 -11.369 429 H ALA 57 HN ALA 57 -8.901 4.320 -8.824 430 HA ALA 57 HA ALA 57 -9.971 5.246 -11.313 431 HB1 ALA 57 1HB ALA 57 -11.387 3.493 -11.901 432 HB2 ALA 57 2HB ALA 57 -9.873 2.683 -11.492 433 HB3 ALA 57 3HB ALA 57 -11.207 2.696 -10.338 434 H CYS 58 HN CYS 58 -9.762 6.062 -8.506 435 HA CYS 58 HA CYS 58 -12.305 5.838 -7.257 436 HB2 CYS 58 2HB CYS 58 -10.087 6.405 -6.141 437 HB3 CYS 58 3HB CYS 58 -10.290 8.033 -6.780 438 HA PRO 59 HA PRO 59 -14.554 8.788 -9.660 439 HB2 PRO 59 2HB PRO 59 -16.662 9.083 -7.975 440 HB3 PRO 59 3HB PRO 59 -16.436 7.654 -8.990 441 HG2 PRO 59 2HG PRO 59 -15.797 8.039 -6.091 442 HG3 PRO 59 3HG PRO 59 -16.551 6.650 -6.895 443 HD2 PRO 59 2HD PRO 59 -13.935 6.685 -6.196 444 HD3 PRO 59 3HD PRO 59 -14.530 5.816 -7.626 445 H LYS 60 HN LYS 60 -13.372 9.334 -6.466 446 HA LYS 60 HA LYS 60 -13.689 12.236 -6.859 447 HB2 LYS 60 2HB LYS 60 -13.955 10.645 -4.308 448 HB3 LYS 60 3HB LYS 60 -13.752 12.392 -4.333 449 HG2 LYS 60 2HG LYS 60 -15.818 12.336 -5.916 450 HG3 LYS 60 3HG LYS 60 -16.081 10.743 -5.200 451 HD2 LYS 60 2HD LYS 60 -17.273 12.013 -3.726 452 HD3 LYS 60 3HD LYS 60 -15.686 12.098 -2.956 453 HE2 LYS 60 2HE LYS 60 -15.309 14.218 -4.294 454 HE3 LYS 60 3HE LYS 60 -17.025 14.159 -4.693 455 HZ1 LYS 60 1HZ LYS 60 -17.622 14.752 -2.616 456 HZ2 LYS 60 2HZ LYS 60 -16.077 15.438 -2.581 457 HZ3 LYS 60 3HZ LYS 60 -16.346 13.926 -1.873 458 H GLN 61 HN GLN 61 -11.599 9.638 -6.414 459 HA GLN 61 HA GLN 61 -9.415 9.452 -5.671 460 HB2 GLN 61 2HB GLN 61 -9.228 11.890 -7.448 461 HB3 GLN 61 3HB GLN 61 -7.922 10.774 -7.069 462 HG2 GLN 61 2HG GLN 61 -9.195 8.971 -8.182 463 HG3 GLN 61 3HG GLN 61 -10.412 10.159 -8.641 464 HE21 GLN 61 1HE2 GLN 61 -7.546 8.652 -9.507 465 HE22 GLN 61 2HE2 GLN 61 -7.112 9.667 -10.837 466 H GLY 62 HN GLY 62 -10.135 10.169 -3.452 467 HA2 GLY 62 1HA GLY 62 -9.529 12.870 -2.664 468 HA3 GLY 62 2HA GLY 62 -9.960 11.542 -1.597 469 H HIS 63 HN HIS 63 -7.822 13.618 -1.447 470 HA HIS 63 HA HIS 63 -5.391 12.018 -1.632 471 HB2 HIS 63 2HB HIS 63 -5.927 14.930 -1.082 472 HB3 HIS 63 3HB HIS 63 -4.336 14.219 -0.821 473 HD1 HIS 63 1HD HIS 63 -6.550 15.536 -3.444 474 HD2 HIS 63 2HD HIS 63 -3.074 13.272 -3.228 475 HE1 HIS 63 1HE HIS 63 -5.581 15.571 -5.764 476 H LEU 64 HN LEU 64 -3.873 12.013 0.212 477 HA LEU 64 HA LEU 64 -5.341 11.764 2.752 478 HB2 LEU 64 2HB LEU 64 -3.001 10.281 1.613 479 HB3 LEU 64 3HB LEU 64 -3.296 10.306 3.350 480 HG LEU 64 HG LEU 64 -5.447 9.418 1.464 481 HD11 LEU 64 1HD1 LEU 64 -2.962 7.966 2.205 482 HD12 LEU 64 2HD1 LEU 64 -3.908 7.909 0.718 483 HD13 LEU 64 3HD1 LEU 64 -4.478 7.065 2.157 484 HD21 LEU 64 1HD2 LEU 64 -4.888 9.341 4.355 485 HD22 LEU 64 2HD2 LEU 64 -5.594 7.876 3.672 486 HD23 LEU 64 3HD2 LEU 64 -6.425 9.423 3.494 487 H GLN 65 HN GLN 65 -4.168 12.295 4.717 488 HA GLN 65 HA GLN 65 -2.595 14.707 4.362 489 HB2 GLN 65 2HB GLN 65 -2.956 13.808 7.109 490 HB3 GLN 65 3HB GLN 65 -3.417 15.329 6.355 491 HG2 GLN 65 2HG GLN 65 -5.450 14.482 6.992 492 HG3 GLN 65 3HG GLN 65 -5.342 13.938 5.318 493 HE21 GLN 65 1HE2 GLN 65 -3.241 11.966 6.223 494 HE22 GLN 65 2HE2 GLN 65 -4.149 10.662 6.900 495 H GLU 66 HN GLU 66 -0.603 15.068 5.552 496 HA GLU 66 HA GLU 66 1.100 12.706 5.455 497 HB2 GLU 66 2HB GLU 66 1.524 15.639 5.331 498 HB3 GLU 66 3HB GLU 66 2.811 14.692 6.065 499 HG2 GLU 66 2HG GLU 66 3.355 13.651 4.113 500 HG3 GLU 66 3HG GLU 66 1.724 13.783 3.459 501 H ASN 67 HN ASN 67 -0.392 14.804 7.750 502 HA ASN 67 HA ASN 67 1.338 13.943 9.927 503 HB2 ASN 67 2HB ASN 67 0.645 15.797 11.001 504 HB3 ASN 67 3HB ASN 67 -0.056 16.274 9.457 505 HD21 ASN 67 1HD2 ASN 67 -2.223 16.354 9.234 506 HD22 ASN 67 2HD2 ASN 67 -3.342 16.005 10.501 507 H GLU 68 HN GLU 68 -2.135 13.827 9.133 508 HA GLU 68 HA GLU 68 -2.983 12.258 11.255 509 HB2 GLU 68 2HB GLU 68 -4.047 13.128 8.732 510 HB3 GLU 68 3HB GLU 68 -4.476 11.444 9.000 511 HG2 GLU 68 2HG GLU 68 -4.859 13.239 11.300 512 HG3 GLU 68 3HG GLU 68 -5.905 13.531 9.911 513 H ILE 69 HN ILE 69 -2.184 11.112 7.971 514 HA ILE 69 HA ILE 69 -2.390 8.401 8.411 515 HB ILE 69 HB ILE 69 -0.561 9.941 6.585 516 HG12 ILE 69 2HG1 ILE 69 -3.283 8.900 6.481 517 HG13 ILE 69 3HG1 ILE 69 -2.500 10.097 5.455 518 HG21 ILE 69 1HG2 ILE 69 -0.903 6.951 6.751 519 HG22 ILE 69 2HG2 ILE 69 -0.086 7.807 5.445 520 HG23 ILE 69 3HG2 ILE 69 0.570 7.864 7.081 521 HD11 ILE 69 1HD1 ILE 69 -1.564 8.367 4.075 522 HD12 ILE 69 2HD1 ILE 69 -2.195 7.121 5.154 523 HD13 ILE 69 3HD1 ILE 69 -3.305 8.125 4.223 524 H GLU 70 HN GLU 70 0.674 10.237 8.472 525 HA GLU 70 HA GLU 70 2.285 8.213 9.468 526 HB2 GLU 70 2HB GLU 70 3.904 9.854 9.894 527 HB3 GLU 70 3HB GLU 70 2.948 10.525 8.579 528 HG2 GLU 70 2HG GLU 70 1.812 12.004 10.046 529 HG3 GLU 70 3HG GLU 70 2.478 11.203 11.468 530 H CYS 71 HN CYS 71 -0.136 10.041 11.063 531 HA CYS 71 HA CYS 71 0.861 9.722 13.727 532 HB2 CYS 71 2HB CYS 71 -0.695 11.283 14.097 533 HB3 CYS 71 3HB CYS 71 -1.304 11.082 12.459 534 HG CYS 71 HG CYS 71 -2.621 10.091 15.350 535 H MET 72 HN MET 72 -1.010 7.798 11.542 536 HA MET 72 HA MET 72 -1.908 6.008 13.661 537 HB2 MET 72 2HB MET 72 -3.407 5.128 12.155 538 HB3 MET 72 3HB MET 72 -3.240 6.760 11.522 539 HG2 MET 72 2HG MET 72 -1.272 5.520 10.167 540 HG3 MET 72 3HG MET 72 -2.405 4.187 10.374 541 HE1 MET 72 1HE MET 72 -3.777 4.269 7.316 542 HE2 MET 72 2HE MET 72 -2.393 5.269 6.877 543 HE3 MET 72 3HE MET 72 -2.210 3.988 8.076 544 H VAL 73 HN VAL 73 0.877 6.434 12.024 545 HA VAL 73 HA VAL 73 1.566 3.583 12.232 546 HB VAL 73 HB VAL 73 3.168 4.025 10.273 547 HG11 VAL 73 1HG1 VAL 73 1.325 3.603 8.606 548 HG12 VAL 73 2HG1 VAL 73 1.365 2.510 9.991 549 HG13 VAL 73 3HG1 VAL 73 0.185 3.821 9.934 550 HG21 VAL 73 1HG2 VAL 73 3.171 6.265 9.821 551 HG22 VAL 73 2HG2 VAL 73 1.935 5.735 8.680 552 HG23 VAL 73 3HG2 VAL 73 1.463 6.459 10.217 553 H ALA 74 HN ALA 74 3.047 6.785 11.686 554 HA ALA 74 HA ALA 74 5.336 5.981 13.313 555 HB1 ALA 74 1HB ALA 74 5.685 8.624 12.443 556 HB2 ALA 74 2HB ALA 74 6.447 7.168 11.801 557 HB3 ALA 74 3HB ALA 74 4.942 7.759 11.096 558 H ALA 75 HN ALA 75 2.687 6.513 14.493 559 HA ALA 75 HA ALA 75 2.299 8.921 15.693 560 HB1 ALA 75 1HB ALA 75 1.328 6.361 16.067 561 HB2 ALA 75 2HB ALA 75 2.001 6.791 17.641 562 HB3 ALA 75 3HB ALA 75 0.779 7.820 16.892 Start of MODEL 6 1 H1 ALA 1 HN ALA 1 -26.408 -4.246 1.352 2 HA ALA 1 HA ALA 1 -27.766 -4.107 3.802 3 HB1 ALA 1 1HB ALA 1 -29.458 -4.542 1.428 4 HB2 ALA 1 2HB ALA 1 -29.738 -5.630 2.788 5 HB3 ALA 1 3HB ALA 1 -29.868 -3.885 3.013 6 H LEU 2 HN LEU 2 -26.999 -6.098 0.991 7 HA LEU 2 HA LEU 2 -26.552 -8.401 2.758 8 HB2 LEU 2 2HB LEU 2 -27.812 -8.209 0.316 9 HB3 LEU 2 3HB LEU 2 -26.224 -8.849 -0.103 10 HG LEU 2 HG LEU 2 -26.638 -10.660 1.609 11 HD11 LEU 2 1HD1 LEU 2 -29.469 -9.645 1.420 12 HD12 LEU 2 2HD1 LEU 2 -28.425 -9.492 2.832 13 HD13 LEU 2 3HD1 LEU 2 -28.923 -11.089 2.273 14 HD21 LEU 2 1HD2 LEU 2 -28.428 -11.757 0.054 15 HD22 LEU 2 2HD2 LEU 2 -26.809 -11.417 -0.555 16 HD23 LEU 2 3HD2 LEU 2 -28.144 -10.332 -0.945 17 H ASP 3 HN ASP 3 -24.683 -6.378 2.949 18 HA ASP 3 HA ASP 3 -22.341 -7.589 1.632 19 HB2 ASP 3 2HB ASP 3 -22.513 -4.686 2.429 20 HB3 ASP 3 3HB ASP 3 -21.323 -5.459 1.385 21 HA PRO 4 HA PRO 4 -21.884 -7.933 6.233 22 HB2 PRO 4 2HB PRO 4 -20.958 -10.485 6.179 23 HB3 PRO 4 3HB PRO 4 -22.680 -10.089 6.212 24 HG2 PRO 4 2HG PRO 4 -20.955 -10.843 3.885 25 HG3 PRO 4 3HG PRO 4 -22.598 -11.380 4.280 26 HD2 PRO 4 2HD PRO 4 -22.095 -9.462 2.436 27 HD3 PRO 4 3HD PRO 4 -23.562 -9.462 3.437 28 H LEU 5 HN LEU 5 -19.731 -9.190 3.690 29 HA LEU 5 HA LEU 5 -17.481 -7.889 5.057 30 HB2 LEU 5 2HB LEU 5 -16.063 -9.845 4.389 31 HB3 LEU 5 3HB LEU 5 -17.228 -10.154 5.675 32 HG LEU 5 HG LEU 5 -18.170 -10.817 2.970 33 HD11 LEU 5 1HD1 LEU 5 -15.583 -11.740 3.884 34 HD12 LEU 5 2HD1 LEU 5 -16.369 -11.947 2.319 35 HD13 LEU 5 3HD1 LEU 5 -16.709 -13.074 3.632 36 HD21 LEU 5 1HD2 LEU 5 -19.048 -12.750 4.116 37 HD22 LEU 5 2HD2 LEU 5 -19.400 -11.301 5.058 38 HD23 LEU 5 3HD2 LEU 5 -18.091 -12.377 5.550 39 H VAL 6 HN VAL 6 -15.468 -8.056 3.493 40 HA VAL 6 HA VAL 6 -14.532 -7.715 1.409 41 HB VAL 6 HB VAL 6 -17.241 -7.510 0.137 42 HG11 VAL 6 1HG1 VAL 6 -15.660 -7.019 -1.452 43 HG12 VAL 6 2HG1 VAL 6 -14.449 -8.085 -0.735 44 HG13 VAL 6 3HG1 VAL 6 -15.791 -8.766 -1.655 45 HG21 VAL 6 1HG2 VAL 6 -16.239 -9.792 1.548 46 HG22 VAL 6 2HG2 VAL 6 -17.760 -9.602 0.676 47 HG23 VAL 6 3HG2 VAL 6 -16.318 -10.150 -0.178 48 H SER 7 HN SER 7 -13.686 -5.737 1.569 49 HA SER 7 HA SER 7 -15.345 -3.459 0.807 50 HB2 SER 7 2HB SER 7 -13.614 -2.621 2.944 51 HB3 SER 7 3HB SER 7 -15.370 -2.499 2.831 52 HG SER 7 HG SER 7 -15.103 -3.806 4.525 53 H CYS 8 HN CYS 8 -12.066 -4.189 2.015 54 HA CYS 8 HA CYS 8 -10.715 -2.208 0.622 55 HB2 CYS 8 2HB CYS 8 -9.818 -3.748 2.441 56 HB3 CYS 8 3HB CYS 8 -9.566 -4.943 1.172 57 H LYS 9 HN LYS 9 -9.430 -2.264 -1.287 58 HA LYS 9 HA LYS 9 -10.130 -4.358 -3.224 59 HB2 LYS 9 2HB LYS 9 -9.942 -1.518 -4.142 60 HB3 LYS 9 3HB LYS 9 -10.795 -2.871 -4.874 61 HG2 LYS 9 2HG LYS 9 -12.387 -2.779 -2.928 62 HG3 LYS 9 3HG LYS 9 -11.612 -1.259 -2.473 63 HD2 LYS 9 2HD LYS 9 -12.166 -1.004 -5.195 64 HD3 LYS 9 3HD LYS 9 -13.595 -1.779 -4.508 65 HE2 LYS 9 2HE LYS 9 -13.744 -0.007 -2.827 66 HE3 LYS 9 3HE LYS 9 -12.312 0.763 -3.509 67 HZ1 LYS 9 1HZ LYS 9 -13.598 0.903 -5.642 68 HZ2 LYS 9 2HZ LYS 9 -14.165 1.887 -4.390 69 HZ3 LYS 9 3HZ LYS 9 -14.975 0.451 -4.768 70 H LEU 10 HN LEU 10 -7.735 -3.867 -1.626 71 HA LEU 10 HA LEU 10 -5.815 -3.354 -3.803 72 HB2 LEU 10 2HB LEU 10 -5.248 -3.032 -0.867 73 HB3 LEU 10 3HB LEU 10 -4.259 -2.501 -2.226 74 HG LEU 10 HG LEU 10 -6.972 -1.347 -1.612 75 HD11 LEU 10 1HD1 LEU 10 -4.271 -0.280 -0.804 76 HD12 LEU 10 2HD1 LEU 10 -5.460 -0.990 0.288 77 HD13 LEU 10 3HD1 LEU 10 -5.828 0.512 -0.560 78 HD21 LEU 10 1HD2 LEU 10 -6.002 -1.133 -3.923 79 HD22 LEU 10 2HD2 LEU 10 -4.691 -0.197 -3.206 80 HD23 LEU 10 3HD2 LEU 10 -6.352 0.390 -3.106 81 H CYS 11 HN CYS 11 -6.736 -5.404 -1.127 82 HA CYS 11 HA CYS 11 -4.668 -7.336 -1.955 83 HB2 CYS 11 2HB CYS 11 -4.727 -8.209 0.359 84 HB3 CYS 11 3HB CYS 11 -4.217 -6.526 0.294 85 H LEU 12 HN LEU 12 -7.787 -6.728 -2.341 86 HA LEU 12 HA LEU 12 -9.635 -7.953 -2.846 87 HB2 LEU 12 2HB LEU 12 -7.862 -10.374 -2.924 88 HB3 LEU 12 3HB LEU 12 -9.337 -10.066 -3.840 89 HG LEU 12 HG LEU 12 -6.568 -9.023 -4.310 90 HD11 LEU 12 1HD1 LEU 12 -6.979 -10.962 -5.536 91 HD12 LEU 12 2HD1 LEU 12 -7.311 -9.659 -6.677 92 HD13 LEU 12 3HD1 LEU 12 -8.645 -10.501 -5.888 93 HD21 LEU 12 1HD2 LEU 12 -9.158 -7.802 -5.238 94 HD22 LEU 12 2HD2 LEU 12 -7.610 -7.518 -6.033 95 HD23 LEU 12 3HD2 LEU 12 -7.846 -7.021 -4.356 96 H GLY 13 HN GLY 13 -8.755 -7.679 -0.046 97 HA2 GLY 13 1HA GLY 13 -9.698 -10.175 1.162 98 HA3 GLY 13 2HA GLY 13 -8.947 -8.833 2.013 99 H GLU 14 HN GLU 14 -10.620 -8.874 3.570 100 HA GLU 14 HA GLU 14 -13.015 -7.446 2.685 101 HB2 GLU 14 2HB GLU 14 -14.115 -9.055 4.569 102 HB3 GLU 14 3HB GLU 14 -14.180 -9.375 2.841 103 HG2 GLU 14 2HG GLU 14 -11.795 -10.380 4.244 104 HG3 GLU 14 3HG GLU 14 -13.324 -11.149 4.663 105 H TYR 15 HN TYR 15 -12.000 -8.952 5.745 106 HA TYR 15 HA TYR 15 -11.695 -8.101 7.831 107 HB2 TYR 15 2HB TYR 15 -10.995 -5.467 6.551 108 HB3 TYR 15 3HB TYR 15 -10.373 -6.157 8.047 109 HD1 TYR 15 1HD TYR 15 -10.117 -6.155 4.399 110 HD2 TYR 15 2HD TYR 15 -8.640 -7.869 8.002 111 HE1 TYR 15 1HE TYR 15 -8.195 -7.072 3.168 112 HE2 TYR 15 2HE TYR 15 -6.713 -8.790 6.782 113 HH TYR 15 HH TYR 15 -5.765 -9.086 4.792 114 HA PRO 16 HA PRO 16 -15.452 -6.131 8.977 115 HB2 PRO 16 2HB PRO 16 -14.814 -5.313 11.485 116 HB3 PRO 16 3HB PRO 16 -15.109 -7.006 11.074 117 HG2 PRO 16 2HG PRO 16 -12.507 -5.560 11.394 118 HG3 PRO 16 3HG PRO 16 -12.969 -7.173 11.969 119 HD2 PRO 16 2HD PRO 16 -11.479 -6.792 9.739 120 HD3 PRO 16 3HD PRO 16 -12.616 -8.145 9.909 121 H VAL 17 HN VAL 17 -16.221 -4.022 10.083 122 HA VAL 17 HA VAL 17 -15.076 -1.832 8.607 123 HB VAL 17 HB VAL 17 -17.522 -2.257 10.225 124 HG11 VAL 17 1HG1 VAL 17 -16.320 0.478 9.812 125 HG12 VAL 17 2HG1 VAL 17 -17.969 0.165 10.356 126 HG13 VAL 17 3HG1 VAL 17 -16.602 -0.325 11.356 127 HG21 VAL 17 1HG2 VAL 17 -18.608 -1.596 8.319 128 HG22 VAL 17 2HG2 VAL 17 -17.318 -0.498 7.830 129 HG23 VAL 17 3HG2 VAL 17 -17.120 -2.238 7.623 130 H GLU 18 HN GLU 18 -14.546 -3.193 11.650 131 HA GLU 18 HA GLU 18 -13.634 -0.686 12.844 132 HB2 GLU 18 2HB GLU 18 -14.758 -3.062 13.881 133 HB3 GLU 18 3HB GLU 18 -13.104 -2.991 14.477 134 HG2 GLU 18 2HG GLU 18 -13.476 -1.095 15.702 135 HG3 GLU 18 3HG GLU 18 -14.792 -0.551 14.664 136 H GLN 19 HN GLN 19 -12.401 -2.905 10.794 137 HA GLN 19 HA GLN 19 -9.692 -2.760 11.934 138 HB2 GLN 19 2HB GLN 19 -11.086 -4.764 10.227 139 HB3 GLN 19 3HB GLN 19 -9.354 -4.553 10.001 140 HG2 GLN 19 2HG GLN 19 -9.090 -4.928 12.467 141 HG3 GLN 19 3HG GLN 19 -10.793 -5.380 12.505 142 HE21 GLN 19 1HE2 GLN 19 -10.783 -7.499 12.842 143 HE22 GLN 19 2HE2 GLN 19 -9.922 -8.662 11.897 144 H MET 20 HN MET 20 -11.701 -1.613 9.440 145 HA MET 20 HA MET 20 -9.458 -0.924 7.699 146 HB2 MET 20 2HB MET 20 -12.143 0.048 6.988 147 HB3 MET 20 3HB MET 20 -10.949 -0.787 6.003 148 HG2 MET 20 2HG MET 20 -11.685 -2.804 7.596 149 HG3 MET 20 3HG MET 20 -13.175 -1.864 7.608 150 HE1 MET 20 1HE MET 20 -10.830 -2.352 4.040 151 HE2 MET 20 2HE MET 20 -10.356 -3.089 5.571 152 HE3 MET 20 3HE MET 20 -11.094 -4.076 4.309 153 H THR 21 HN THR 21 -9.586 1.356 6.731 154 HA THR 21 HA THR 21 -10.421 3.351 8.707 155 HB THR 21 HB THR 21 -7.622 3.082 7.608 156 HG1 THR 21 1HG THR 21 -8.595 3.312 10.279 157 HG21 THR 21 1HG2 THR 21 -7.491 5.239 9.228 158 HG22 THR 21 2HG2 THR 21 -9.100 5.459 8.541 159 HG23 THR 21 3HG2 THR 21 -7.697 5.340 7.480 160 H THR 22 HN THR 22 -11.144 5.227 7.840 161 HA THR 22 HA THR 22 -11.761 5.312 5.076 162 HB THR 22 HB THR 22 -11.888 7.542 7.118 163 HG1 THR 22 1HG THR 22 -13.350 5.310 6.806 164 HG21 THR 22 1HG2 THR 22 -13.638 8.432 5.526 165 HG22 THR 22 2HG2 THR 22 -13.044 7.263 4.348 166 HG23 THR 22 3HG2 THR 22 -11.973 8.525 4.954 167 H ILE 23 HN ILE 23 -11.214 7.195 3.660 168 HA ILE 23 HA ILE 23 -8.355 7.457 3.503 169 HB ILE 23 HB ILE 23 -10.580 8.555 1.788 170 HG12 ILE 23 2HG1 ILE 23 -10.276 6.167 1.563 171 HG13 ILE 23 3HG1 ILE 23 -9.629 6.954 0.128 172 HG21 ILE 23 1HG2 ILE 23 -8.096 8.682 0.443 173 HG22 ILE 23 2HG2 ILE 23 -9.167 10.008 0.892 174 HG23 ILE 23 3HG2 ILE 23 -7.900 9.485 2.000 175 HD11 ILE 23 1HD1 ILE 23 -8.037 5.357 0.629 176 HD12 ILE 23 2HD1 ILE 23 -7.369 6.820 1.354 177 HD13 ILE 23 3HD1 ILE 23 -8.173 5.620 2.367 178 H ALA 24 HN ALA 24 -10.534 10.135 2.835 179 HA ALA 24 HA ALA 24 -10.355 11.746 4.992 180 HB1 ALA 24 1HB ALA 24 -7.735 11.602 3.609 181 HB2 ALA 24 2HB ALA 24 -8.270 13.178 4.193 182 HB3 ALA 24 3HB ALA 24 -8.105 11.830 5.318 183 H GLN 25 HN GLN 25 -10.267 11.394 1.578 184 HA GLN 25 HA GLN 25 -11.579 14.015 1.282 185 HB2 GLN 25 2HB GLN 25 -9.344 12.821 -0.219 186 HB3 GLN 25 3HB GLN 25 -10.608 13.529 -1.216 187 HG2 GLN 25 2HG GLN 25 -8.579 14.960 -0.435 188 HG3 GLN 25 3HG GLN 25 -10.200 15.653 -0.474 189 HE21 GLN 25 1HE2 GLN 25 -10.521 16.916 1.199 190 HE22 GLN 25 2HE2 GLN 25 -9.996 16.622 2.819 191 H CYS 26 HN CYS 26 -11.150 10.896 -0.399 192 HA CYS 26 HA CYS 26 -13.723 11.132 -1.675 193 HB2 CYS 26 2HB CYS 26 -13.195 8.904 -2.614 194 HB3 CYS 26 3HB CYS 26 -11.896 10.064 -2.875 195 H GLN 27 HN GLN 27 -12.383 9.535 1.120 196 HA GLN 27 HA GLN 27 -13.444 8.612 2.927 197 HB2 GLN 27 2HB GLN 27 -16.079 8.783 1.493 198 HB3 GLN 27 3HB GLN 27 -15.768 8.795 3.223 199 HG2 GLN 27 2HG GLN 27 -14.506 11.012 1.827 200 HG3 GLN 27 3HG GLN 27 -16.260 10.987 1.650 201 HE21 GLN 27 1HE2 GLN 27 -13.611 11.160 3.916 202 HE22 GLN 27 2HE2 GLN 27 -14.525 11.795 5.238 203 H CYS 28 HN CYS 28 -12.203 7.001 1.154 204 HA CYS 28 HA CYS 28 -14.004 4.826 0.440 205 HB2 CYS 28 2HB CYS 28 -11.089 5.379 -0.086 206 HB3 CYS 28 3HB CYS 28 -11.806 3.809 -0.428 207 H ILE 29 HN ILE 29 -12.806 2.557 0.817 208 HA ILE 29 HA ILE 29 -12.039 2.453 3.661 209 HB ILE 29 HB ILE 29 -14.418 1.551 2.828 210 HG12 ILE 29 2HG1 ILE 29 -12.969 -0.192 4.778 211 HG13 ILE 29 3HG1 ILE 29 -13.137 1.523 5.140 212 HG21 ILE 29 1HG2 ILE 29 -14.404 -0.802 2.387 213 HG22 ILE 29 2HG2 ILE 29 -13.325 -0.020 1.234 214 HG23 ILE 29 3HG2 ILE 29 -12.658 -0.884 2.618 215 HD11 ILE 29 1HD1 ILE 29 -14.948 -0.440 5.744 216 HD12 ILE 29 2HD1 ILE 29 -15.275 1.293 5.702 217 HD13 ILE 29 3HD1 ILE 29 -15.631 0.294 4.293 218 H PHE 30 HN PHE 30 -10.204 1.408 4.085 219 HA PHE 30 HA PHE 30 -9.278 -0.747 2.389 220 HB2 PHE 30 2HB PHE 30 -7.682 1.802 2.706 221 HB3 PHE 30 3HB PHE 30 -7.053 0.306 2.024 222 HD1 PHE 30 1HD PHE 30 -8.926 3.308 1.405 223 HD2 PHE 30 2HD PHE 30 -8.052 -0.577 -0.096 224 HE1 PHE 30 1HE PHE 30 -9.738 3.988 -0.816 225 HE2 PHE 30 2HE PHE 30 -8.861 0.096 -2.320 226 HZ PHE 30 HZ PHE 30 -9.705 2.381 -2.682 227 H CYS 31 HN CYS 31 -8.229 -2.246 3.546 228 HA CYS 31 HA CYS 31 -8.108 -2.129 6.335 229 HB2 CYS 31 2HB CYS 31 -7.035 -4.243 6.252 230 HB3 CYS 31 3HB CYS 31 -8.114 -4.199 4.862 231 H THR 32 HN THR 32 -6.674 -1.331 7.731 232 HA THR 32 HA THR 32 -4.810 0.519 7.307 233 HB THR 32 HB THR 32 -4.320 -1.728 9.269 234 HG1 THR 32 1HG THR 32 -5.878 0.642 9.577 235 HG21 THR 32 1HG2 THR 32 -2.483 -0.055 8.902 236 HG22 THR 32 2HG2 THR 32 -3.108 -0.112 10.551 237 HG23 THR 32 3HG2 THR 32 -3.593 1.192 9.468 238 H LEU 33 HN LEU 33 -4.057 -2.963 7.263 239 HA LEU 33 HA LEU 33 -1.407 -3.025 6.812 240 HB2 LEU 33 2HB LEU 33 -3.663 -4.666 5.960 241 HB3 LEU 33 3HB LEU 33 -2.268 -4.793 4.890 242 HG LEU 33 HG LEU 33 -2.606 -6.422 6.941 243 HD11 LEU 33 1HD1 LEU 33 -0.783 -6.608 5.397 244 HD12 LEU 33 2HD1 LEU 33 -0.135 -6.671 7.036 245 HD13 LEU 33 3HD1 LEU 33 0.010 -5.191 6.087 246 HD21 LEU 33 1HD2 LEU 33 -0.756 -4.629 8.353 247 HD22 LEU 33 2HD2 LEU 33 -2.015 -5.692 8.983 248 HD23 LEU 33 3HD2 LEU 33 -2.440 -4.105 8.337 249 H CYS 34 HN CYS 34 -3.631 -3.004 4.024 250 HA CYS 34 HA CYS 34 -1.685 -2.281 2.145 251 HB2 CYS 34 2HB CYS 34 -4.651 -1.715 1.977 252 HB3 CYS 34 3HB CYS 34 -3.524 -1.852 0.630 253 H LEU 35 HN LEU 35 -4.321 -0.215 3.379 254 HA LEU 35 HA LEU 35 -3.512 2.187 2.342 255 HB2 LEU 35 2HB LEU 35 -5.569 1.555 3.785 256 HB3 LEU 35 3HB LEU 35 -4.558 2.041 5.144 257 HG LEU 35 HG LEU 35 -4.336 4.288 4.098 258 HD11 LEU 35 1HD1 LEU 35 -4.797 4.377 1.914 259 HD12 LEU 35 2HD1 LEU 35 -6.483 4.486 2.420 260 HD13 LEU 35 3HD1 LEU 35 -5.798 2.926 1.967 261 HD21 LEU 35 1HD2 LEU 35 -6.265 5.059 5.056 262 HD22 LEU 35 2HD2 LEU 35 -6.202 3.439 5.752 263 HD23 LEU 35 3HD2 LEU 35 -7.254 3.768 4.374 264 H LYS 36 HN LYS 36 -1.963 0.341 4.770 265 HA LYS 36 HA LYS 36 -0.441 2.588 5.817 266 HB2 LYS 36 2HB LYS 36 -1.063 0.972 7.452 267 HB3 LYS 36 3HB LYS 36 -0.485 -0.359 6.458 268 HG2 LYS 36 2HG LYS 36 1.651 1.488 6.970 269 HG3 LYS 36 3HG LYS 36 0.893 0.990 8.484 270 HD2 LYS 36 2HD LYS 36 1.052 -1.400 7.396 271 HD3 LYS 36 3HD LYS 36 2.334 -0.643 6.447 272 HE2 LYS 36 2HE LYS 36 3.577 -0.107 8.398 273 HE3 LYS 36 3HE LYS 36 2.224 -0.516 9.452 274 HZ1 LYS 36 1HZ LYS 36 3.925 -2.360 7.881 275 HZ2 LYS 36 2HZ LYS 36 2.450 -2.841 8.552 276 HZ3 LYS 36 3HZ LYS 36 3.706 -2.317 9.557 277 H GLN 37 HN GLN 37 0.595 -0.624 4.675 278 HA GLN 37 HA GLN 37 3.200 -0.062 4.106 279 HB2 GLN 37 2HB GLN 37 1.392 -2.146 3.504 280 HB3 GLN 37 3HB GLN 37 2.182 -1.718 1.992 281 HG2 GLN 37 2HG GLN 37 4.159 -2.549 2.639 282 HG3 GLN 37 3HG GLN 37 3.980 -1.972 4.295 283 HE21 GLN 37 1HE2 GLN 37 3.267 -3.335 5.837 284 HE22 GLN 37 2HE2 GLN 37 2.859 -4.992 5.562 285 H TYR 38 HN TYR 38 0.431 1.101 2.448 286 HA TYR 38 HA TYR 38 1.832 1.776 0.013 287 HB2 TYR 38 2HB TYR 38 -0.306 1.586 -0.663 288 HB3 TYR 38 3HB TYR 38 -0.933 1.812 0.966 289 HD1 TYR 38 1HD TYR 38 1.059 4.093 -1.216 290 HD2 TYR 38 2HD TYR 38 -2.611 3.407 0.825 291 HE1 TYR 38 1HE TYR 38 0.304 6.353 -1.828 292 HE2 TYR 38 2HE TYR 38 -3.377 5.664 0.218 293 HH TYR 38 HH TYR 38 -1.367 7.815 -1.770 294 H VAL 39 HN VAL 39 0.235 3.668 2.584 295 HA VAL 39 HA VAL 39 1.399 6.131 1.726 296 HB VAL 39 HB VAL 39 0.437 7.105 3.727 297 HG11 VAL 39 1HG1 VAL 39 -1.020 5.629 1.774 298 HG12 VAL 39 2HG1 VAL 39 -1.882 5.541 3.311 299 HG13 VAL 39 3HG1 VAL 39 -1.481 7.110 2.611 300 HG21 VAL 39 1HG2 VAL 39 0.067 4.243 4.567 301 HG22 VAL 39 2HG2 VAL 39 0.909 5.536 5.420 302 HG23 VAL 39 3HG2 VAL 39 -0.849 5.565 5.289 303 H GLU 40 HN GLU 40 1.955 4.027 4.549 304 HA GLU 40 HA GLU 40 3.870 5.325 5.921 305 HB2 GLU 40 2HB GLU 40 2.996 2.707 5.813 306 HB3 GLU 40 3HB GLU 40 4.707 2.568 5.432 307 HG2 GLU 40 2HG GLU 40 4.396 4.342 7.638 308 HG3 GLU 40 3HG GLU 40 3.493 2.861 7.957 309 H LEU 41 HN LEU 41 4.250 3.888 2.760 310 HA LEU 41 HA LEU 41 7.120 4.259 2.730 311 HB2 LEU 41 2HB LEU 41 5.083 3.152 0.869 312 HB3 LEU 41 3HB LEU 41 6.612 3.710 0.191 313 HG LEU 41 HG LEU 41 6.490 1.256 0.665 314 HD11 LEU 41 1HD1 LEU 41 8.670 1.805 0.457 315 HD12 LEU 41 2HD1 LEU 41 8.693 1.450 2.185 316 HD13 LEU 41 3HD1 LEU 41 8.566 3.119 1.629 317 HD21 LEU 41 1HD2 LEU 41 6.715 2.057 3.556 318 HD22 LEU 41 2HD2 LEU 41 6.537 0.437 2.882 319 HD23 LEU 41 3HD2 LEU 41 5.191 1.575 2.808 320 H LEU 42 HN LEU 42 4.260 5.809 1.368 321 HA LEU 42 HA LEU 42 5.870 7.788 -0.021 322 HB2 LEU 42 2HB LEU 42 2.965 7.130 0.120 323 HB3 LEU 42 3HB LEU 42 3.460 8.729 -0.431 324 HG LEU 42 HG LEU 42 4.601 6.283 -1.722 325 HD11 LEU 42 1HD1 LEU 42 1.895 7.493 -2.236 326 HD12 LEU 42 2HD1 LEU 42 2.274 5.819 -1.830 327 HD13 LEU 42 3HD1 LEU 42 2.747 6.474 -3.397 328 HD21 LEU 42 1HD2 LEU 42 4.400 9.176 -2.264 329 HD22 LEU 42 2HD2 LEU 42 4.209 8.108 -3.655 330 HD23 LEU 42 3HD2 LEU 42 5.674 8.026 -2.675 331 H ILE 43 HN ILE 43 3.150 7.997 2.281 332 HA ILE 43 HA ILE 43 3.225 10.584 3.009 333 HB ILE 43 HB ILE 43 2.158 8.284 4.149 334 HG12 ILE 43 2HG1 ILE 43 1.235 10.244 5.778 335 HG13 ILE 43 3HG1 ILE 43 1.902 11.214 4.469 336 HG21 ILE 43 1HG2 ILE 43 4.111 8.164 5.640 337 HG22 ILE 43 2HG2 ILE 43 3.739 9.782 6.235 338 HG23 ILE 43 3HG2 ILE 43 2.612 8.455 6.524 339 HD11 ILE 43 1HD1 ILE 43 0.123 10.810 3.227 340 HD12 ILE 43 2HD1 ILE 43 0.372 9.069 3.373 341 HD13 ILE 43 3HD1 ILE 43 -0.586 9.927 4.579 342 H LYS 44 HN LYS 44 5.684 8.237 3.675 343 HA LYS 44 HA LYS 44 7.016 9.753 5.711 344 HB2 LYS 44 2HB LYS 44 7.231 7.151 4.592 345 HB3 LYS 44 3HB LYS 44 8.798 7.931 4.412 346 HG2 LYS 44 2HG LYS 44 8.655 6.670 6.491 347 HG3 LYS 44 3HG LYS 44 8.865 8.395 6.795 348 HD2 LYS 44 2HD LYS 44 7.182 7.981 8.272 349 HD3 LYS 44 3HD LYS 44 6.207 8.314 6.839 350 HE2 LYS 44 2HE LYS 44 5.370 6.255 6.861 351 HE3 LYS 44 3HE LYS 44 6.984 5.548 6.893 352 HZ1 LYS 44 1HZ LYS 44 5.214 6.225 9.144 353 HZ2 LYS 44 2HZ LYS 44 6.887 6.181 9.382 354 HZ3 LYS 44 3HZ LYS 44 6.071 4.797 8.851 355 H GLU 45 HN GLU 45 7.498 9.224 2.240 356 HA GLU 45 HA GLU 45 9.810 10.923 2.124 357 HB2 GLU 45 2HB GLU 45 8.884 8.943 0.523 358 HB3 GLU 45 3HB GLU 45 8.326 10.351 -0.368 359 HG2 GLU 45 2HG GLU 45 10.380 10.881 -1.055 360 HG3 GLU 45 3HG GLU 45 11.097 10.553 0.520 361 H GLY 46 HN GLY 46 6.441 11.194 0.999 362 HA2 GLY 46 1HA GLY 46 5.221 13.028 0.326 363 HA3 GLY 46 2HA GLY 46 5.981 13.797 1.712 364 H LEU 47 HN LEU 47 7.049 12.779 -1.538 365 HA LEU 47 HA LEU 47 8.611 15.222 -1.767 366 HB2 LEU 47 2HB LEU 47 9.470 14.221 -3.831 367 HB3 LEU 47 3HB LEU 47 9.663 13.159 -2.439 368 HG LEU 47 HG LEU 47 7.317 12.803 -4.259 369 HD11 LEU 47 1HD1 LEU 47 10.167 12.165 -4.851 370 HD12 LEU 47 2HD1 LEU 47 8.884 12.710 -5.931 371 HD13 LEU 47 3HD1 LEU 47 8.907 11.041 -5.362 372 HD21 LEU 47 1HD2 LEU 47 8.365 10.365 -3.488 373 HD22 LEU 47 2HD2 LEU 47 6.988 11.191 -2.757 374 HD23 LEU 47 3HD2 LEU 47 8.601 11.391 -2.073 375 H GLU 48 HN GLU 48 5.614 13.910 -2.850 376 HA GLU 48 HA GLU 48 4.467 16.218 -3.710 377 HB2 GLU 48 2HB GLU 48 4.654 15.856 -6.273 378 HB3 GLU 48 3HB GLU 48 5.959 16.678 -5.429 379 HG2 GLU 48 2HG GLU 48 7.371 14.825 -5.560 380 HG3 GLU 48 3HG GLU 48 6.044 13.727 -5.932 381 H THR 49 HN THR 49 4.843 12.803 -4.098 382 HA THR 49 HA THR 49 2.756 11.943 -5.579 383 HB THR 49 HB THR 49 3.428 10.822 -2.851 384 HG1 THR 49 1HG THR 49 4.718 10.736 -5.322 385 HG21 THR 49 1HG2 THR 49 1.438 10.092 -4.704 386 HG22 THR 49 2HG2 THR 49 1.966 9.196 -3.280 387 HG23 THR 49 3HG2 THR 49 2.716 8.885 -4.845 388 H ALA 50 HN ALA 50 2.551 13.643 -2.563 389 HA ALA 50 HA ALA 50 0.802 14.429 -1.334 390 HB1 ALA 50 1HB ALA 50 0.145 15.657 -3.221 391 HB2 ALA 50 2HB ALA 50 -0.446 14.220 -4.056 392 HB3 ALA 50 3HB ALA 50 -1.326 14.856 -2.668 393 H ILE 51 HN ILE 51 1.135 11.385 -1.979 394 HA ILE 51 HA ILE 51 -0.057 9.424 -1.674 395 HB ILE 51 HB ILE 51 -0.648 10.991 0.840 396 HG12 ILE 51 2HG1 ILE 51 1.284 9.805 1.754 397 HG13 ILE 51 3HG1 ILE 51 1.502 8.948 0.233 398 HG21 ILE 51 1HG2 ILE 51 -2.135 8.993 0.409 399 HG22 ILE 51 2HG2 ILE 51 -0.686 8.000 0.538 400 HG23 ILE 51 3HG2 ILE 51 -1.218 8.965 1.914 401 HD11 ILE 51 1HD1 ILE 51 2.903 11.102 0.878 402 HD12 ILE 51 2HD1 ILE 51 2.459 10.726 -0.786 403 HD13 ILE 51 3HD1 ILE 51 1.520 11.903 0.133 404 H SER 52 HN SER 52 -1.648 9.568 -3.302 405 HA SER 52 HA SER 52 -4.269 10.595 -2.470 406 HB2 SER 52 2HB SER 52 -4.412 11.352 -4.572 407 HB3 SER 52 3HB SER 52 -2.842 10.639 -4.942 408 HG SER 52 HG SER 52 -5.020 9.940 -6.035 409 H CYS 53 HN CYS 53 -6.180 9.321 -2.964 410 HA CYS 53 HA CYS 53 -6.409 6.933 -1.808 411 HB2 CYS 53 2HB CYS 53 -8.320 8.125 -2.772 412 HB3 CYS 53 3HB CYS 53 -7.788 7.690 -4.393 413 HA PRO 54 HA PRO 54 -3.890 4.039 -3.994 414 HB2 PRO 54 2HB PRO 54 -4.917 1.770 -2.917 415 HB3 PRO 54 3HB PRO 54 -3.835 2.850 -2.029 416 HG2 PRO 54 2HG PRO 54 -6.820 2.646 -1.918 417 HG3 PRO 54 3HG PRO 54 -5.661 2.830 -0.589 418 HD2 PRO 54 2HD PRO 54 -7.084 4.910 -1.578 419 HD3 PRO 54 3HD PRO 54 -5.445 5.100 -0.923 420 H ASP 55 HN ASP 55 -7.063 4.656 -4.610 421 HA ASP 55 HA ASP 55 -7.267 2.496 -6.603 422 HB2 ASP 55 2HB ASP 55 -9.168 3.541 -4.702 423 HB3 ASP 55 3HB ASP 55 -9.782 3.732 -6.341 424 H ALA 56 HN ALA 56 -5.924 3.773 -8.029 425 HA ALA 56 HA ALA 56 -6.281 6.333 -8.897 426 HB1 ALA 56 1HB ALA 56 -5.657 3.984 -10.682 427 HB2 ALA 56 2HB ALA 56 -5.275 5.677 -10.998 428 HB3 ALA 56 3HB ALA 56 -4.489 4.829 -9.666 429 H ALA 57 HN ALA 57 -8.432 3.688 -9.327 430 HA ALA 57 HA ALA 57 -9.916 5.047 -11.450 431 HB1 ALA 57 1HB ALA 57 -10.081 2.296 -10.258 432 HB2 ALA 57 2HB ALA 57 -11.342 2.933 -11.316 433 HB3 ALA 57 3HB ALA 57 -9.692 2.761 -11.915 434 H CYS 58 HN CYS 58 -9.763 6.005 -8.624 435 HA CYS 58 HA CYS 58 -12.371 5.549 -7.498 436 HB2 CYS 58 2HB CYS 58 -10.287 6.031 -6.156 437 HB3 CYS 58 3HB CYS 58 -10.381 7.691 -6.735 438 HA PRO 59 HA PRO 59 -14.496 8.647 -9.825 439 HB2 PRO 59 2HB PRO 59 -16.715 8.802 -8.269 440 HB3 PRO 59 3HB PRO 59 -16.403 7.451 -9.365 441 HG2 PRO 59 2HG PRO 59 -15.962 7.631 -6.411 442 HG3 PRO 59 3HG PRO 59 -16.642 6.297 -7.361 443 HD2 PRO 59 2HD PRO 59 -14.079 6.305 -6.488 444 HD3 PRO 59 3HD PRO 59 -14.566 5.536 -8.012 445 H LYS 60 HN LYS 60 -13.348 9.002 -6.638 446 HA LYS 60 HA LYS 60 -13.866 11.900 -6.748 447 HB2 LYS 60 2HB LYS 60 -13.532 10.396 -4.165 448 HB3 LYS 60 3HB LYS 60 -14.215 11.997 -4.423 449 HG2 LYS 60 2HG LYS 60 -15.964 10.581 -5.846 450 HG3 LYS 60 3HG LYS 60 -15.460 9.330 -4.707 451 HD2 LYS 60 2HD LYS 60 -16.311 10.452 -2.889 452 HD3 LYS 60 3HD LYS 60 -16.159 12.033 -3.661 453 HE2 LYS 60 2HE LYS 60 -17.970 11.124 -5.284 454 HE3 LYS 60 3HE LYS 60 -18.278 9.947 -4.008 455 HZ1 LYS 60 1HZ LYS 60 -19.465 12.315 -4.124 456 HZ2 LYS 60 2HZ LYS 60 -18.128 12.727 -3.175 457 HZ3 LYS 60 3HZ LYS 60 -19.176 11.500 -2.670 458 H GLN 61 HN GLN 61 -11.604 9.347 -6.351 459 HA GLN 61 HA GLN 61 -9.388 9.317 -5.685 460 HB2 GLN 61 2HB GLN 61 -9.172 11.699 -7.504 461 HB3 GLN 61 3HB GLN 61 -8.043 10.367 -7.302 462 HG2 GLN 61 2HG GLN 61 -9.674 8.857 -8.356 463 HG3 GLN 61 3HG GLN 61 -10.748 10.232 -8.614 464 HE21 GLN 61 1HE2 GLN 61 -7.597 8.894 -9.410 465 HE22 GLN 61 2HE2 GLN 61 -7.418 9.723 -10.916 466 H GLY 62 HN GLY 62 -10.030 10.133 -3.489 467 HA2 GLY 62 1HA GLY 62 -9.451 12.921 -2.942 468 HA3 GLY 62 2HA GLY 62 -9.934 11.705 -1.770 469 H HIS 63 HN HIS 63 -7.791 13.702 -1.625 470 HA HIS 63 HA HIS 63 -5.361 12.093 -1.726 471 HB2 HIS 63 2HB HIS 63 -5.850 15.011 -1.116 472 HB3 HIS 63 3HB HIS 63 -4.264 14.252 -1.012 473 HD1 HIS 63 1HD HIS 63 -6.766 15.531 -3.444 474 HD2 HIS 63 2HD HIS 63 -3.104 13.568 -3.497 475 HE1 HIS 63 1HE HIS 63 -5.955 15.685 -5.820 476 H LEU 64 HN LEU 64 -3.893 12.094 0.151 477 HA LEU 64 HA LEU 64 -5.418 11.922 2.666 478 HB2 LEU 64 2HB LEU 64 -3.135 10.322 1.577 479 HB3 LEU 64 3HB LEU 64 -3.419 10.404 3.313 480 HG LEU 64 HG LEU 64 -5.612 9.554 1.460 481 HD11 LEU 64 1HD1 LEU 64 -4.291 7.876 0.767 482 HD12 LEU 64 2HD1 LEU 64 -4.632 7.198 2.358 483 HD13 LEU 64 3HD1 LEU 64 -3.139 8.096 2.084 484 HD21 LEU 64 1HD2 LEU 64 -5.045 9.532 4.352 485 HD22 LEU 64 2HD2 LEU 64 -5.817 8.083 3.710 486 HD23 LEU 64 3HD2 LEU 64 -6.581 9.659 3.494 487 H GLN 65 HN GLN 65 -4.048 12.241 4.654 488 HA GLN 65 HA GLN 65 -2.365 14.608 4.253 489 HB2 GLN 65 2HB GLN 65 -2.928 14.024 7.019 490 HB3 GLN 65 3HB GLN 65 -3.346 15.447 6.075 491 HG2 GLN 65 2HG GLN 65 -5.408 14.692 6.736 492 HG3 GLN 65 3HG GLN 65 -5.249 13.957 5.142 493 HE21 GLN 65 1HE2 GLN 65 -3.199 12.091 6.343 494 HE22 GLN 65 2HE2 GLN 65 -4.142 10.880 7.134 495 H GLU 66 HN GLU 66 -0.541 14.860 5.859 496 HA GLU 66 HA GLU 66 1.038 12.412 5.816 497 HB2 GLU 66 2HB GLU 66 1.616 15.312 5.943 498 HB3 GLU 66 3HB GLU 66 2.730 14.268 6.814 499 HG2 GLU 66 2HG GLU 66 3.719 13.624 4.942 500 HG3 GLU 66 3HG GLU 66 2.178 13.225 4.185 501 H ASN 67 HN ASN 67 0.291 14.985 8.172 502 HA ASN 67 HA ASN 67 1.352 13.682 10.409 503 HB2 ASN 67 2HB ASN 67 0.554 15.450 11.614 504 HB3 ASN 67 3HB ASN 67 0.371 16.143 10.005 505 HD21 ASN 67 1HD2 ASN 67 -1.726 15.999 8.998 506 HD22 ASN 67 2HD2 ASN 67 -3.144 15.981 9.984 507 H GLU 68 HN GLU 68 -2.041 13.891 9.333 508 HA GLU 68 HA GLU 68 -3.184 12.294 11.284 509 HB2 GLU 68 2HB GLU 68 -3.943 13.321 8.689 510 HB3 GLU 68 3HB GLU 68 -4.577 11.699 8.926 511 HG2 GLU 68 2HG GLU 68 -4.909 13.621 11.151 512 HG3 GLU 68 3HG GLU 68 -5.878 13.878 9.701 513 H ILE 69 HN ILE 69 -2.130 11.262 8.034 514 HA ILE 69 HA ILE 69 -2.575 8.525 8.407 515 HB ILE 69 HB ILE 69 -0.743 10.039 6.568 516 HG12 ILE 69 2HG1 ILE 69 -3.470 9.033 6.508 517 HG13 ILE 69 3HG1 ILE 69 -2.682 10.195 5.447 518 HG21 ILE 69 1HG2 ILE 69 -1.083 7.048 6.732 519 HG22 ILE 69 2HG2 ILE 69 -0.298 7.904 5.407 520 HG23 ILE 69 3HG2 ILE 69 0.397 7.960 7.026 521 HD11 ILE 69 1HD1 ILE 69 -2.428 7.209 5.195 522 HD12 ILE 69 2HD1 ILE 69 -3.547 8.211 4.270 523 HD13 ILE 69 3HD1 ILE 69 -1.806 8.426 4.081 524 H GLU 70 HN GLU 70 0.589 10.183 8.406 525 HA GLU 70 HA GLU 70 2.161 8.126 9.298 526 HB2 GLU 70 2HB GLU 70 3.795 9.696 9.756 527 HB3 GLU 70 3HB GLU 70 2.751 10.587 8.656 528 HG2 GLU 70 2HG GLU 70 1.699 11.715 10.522 529 HG3 GLU 70 3HG GLU 70 2.669 10.779 11.659 530 H CYS 71 HN CYS 71 -0.138 9.991 11.105 531 HA CYS 71 HA CYS 71 0.811 9.394 13.706 532 HB2 CYS 71 2HB CYS 71 -0.709 11.007 14.059 533 HB3 CYS 71 3HB CYS 71 -1.501 10.693 12.520 534 HG CYS 71 HG CYS 71 -2.272 9.535 15.599 535 H MET 72 HN MET 72 -1.443 7.787 11.523 536 HA MET 72 HA MET 72 -2.182 5.787 13.457 537 HB2 MET 72 2HB MET 72 -3.742 5.113 11.944 538 HB3 MET 72 3HB MET 72 -3.441 6.716 11.288 539 HG2 MET 72 2HG MET 72 -1.697 5.594 9.807 540 HG3 MET 72 3HG MET 72 -2.440 4.073 10.295 541 HE1 MET 72 1HE MET 72 -1.981 5.222 7.447 542 HE2 MET 72 2HE MET 72 -2.939 3.742 7.393 543 HE3 MET 72 3HE MET 72 -3.494 5.183 6.540 544 H VAL 73 HN VAL 73 0.668 6.274 12.194 545 HA VAL 73 HA VAL 73 1.315 3.424 12.104 546 HB VAL 73 HB VAL 73 3.007 4.218 10.190 547 HG11 VAL 73 1HG1 VAL 73 1.787 2.326 9.727 548 HG12 VAL 73 2HG1 VAL 73 0.241 3.110 10.059 549 HG13 VAL 73 3HG1 VAL 73 1.103 3.457 8.561 550 HG21 VAL 73 1HG2 VAL 73 0.683 5.607 9.078 551 HG22 VAL 73 2HG2 VAL 73 1.470 6.466 10.402 552 HG23 VAL 73 3HG2 VAL 73 2.398 6.004 8.975 553 H ALA 74 HN ALA 74 3.071 6.449 11.424 554 HA ALA 74 HA ALA 74 5.147 5.620 13.301 555 HB1 ALA 74 1HB ALA 74 6.455 7.470 12.335 556 HB2 ALA 74 2HB ALA 74 5.888 6.333 11.110 557 HB3 ALA 74 3HB ALA 74 5.078 7.887 11.313 558 H ALA 75 HN ALA 75 3.161 6.109 14.869 559 HA ALA 75 HA ALA 75 2.199 8.465 15.656 560 HB1 ALA 75 1HB ALA 75 2.382 6.077 16.868 561 HB2 ALA 75 2HB ALA 75 3.475 7.015 17.888 562 HB3 ALA 75 3HB ALA 75 1.802 7.534 17.676 Start of MODEL 7 1 H1 ALA 1 HN ALA 1 -28.338 -13.558 -0.502 2 HA ALA 1 HA ALA 1 -26.573 -14.694 -2.334 3 HB1 ALA 1 1HB ALA 1 -26.947 -13.348 -4.337 4 HB2 ALA 1 2HB ALA 1 -28.345 -14.363 -3.978 5 HB3 ALA 1 3HB ALA 1 -28.384 -12.641 -3.598 6 H LEU 2 HN LEU 2 -27.967 -11.612 -1.272 7 HA LEU 2 HA LEU 2 -26.066 -9.783 -1.659 8 HB2 LEU 2 2HB LEU 2 -27.799 -10.354 0.677 9 HB3 LEU 2 3HB LEU 2 -26.516 -9.166 0.894 10 HG LEU 2 HG LEU 2 -28.501 -7.977 0.361 11 HD11 LEU 2 1HD1 LEU 2 -26.216 -7.652 -1.009 12 HD12 LEU 2 2HD1 LEU 2 -27.632 -6.620 -1.216 13 HD13 LEU 2 3HD1 LEU 2 -27.332 -7.941 -2.345 14 HD21 LEU 2 1HD2 LEU 2 -29.445 -10.156 -0.798 15 HD22 LEU 2 2HD2 LEU 2 -28.882 -9.337 -2.255 16 HD23 LEU 2 3HD2 LEU 2 -30.061 -8.553 -1.202 17 H ASP 3 HN ASP 3 -24.119 -9.103 -0.754 18 HA ASP 3 HA ASP 3 -22.811 -10.316 1.408 19 HB2 ASP 3 2HB ASP 3 -20.977 -11.409 -0.132 20 HB3 ASP 3 3HB ASP 3 -22.423 -12.311 0.313 21 HA PRO 4 HA PRO 4 -21.097 -6.362 -0.387 22 HB2 PRO 4 2HB PRO 4 -21.464 -4.884 1.860 23 HB3 PRO 4 3HB PRO 4 -22.709 -5.070 0.618 24 HG2 PRO 4 2HG PRO 4 -22.412 -6.500 3.231 25 HG3 PRO 4 3HG PRO 4 -23.875 -5.838 2.477 26 HD2 PRO 4 2HD PRO 4 -23.253 -8.472 2.387 27 HD3 PRO 4 3HD PRO 4 -24.125 -7.651 1.077 28 H LEU 5 HN LEU 5 -19.311 -8.151 0.009 29 HA LEU 5 HA LEU 5 -17.613 -7.222 2.232 30 HB2 LEU 5 2HB LEU 5 -17.082 -9.850 0.981 31 HB3 LEU 5 3HB LEU 5 -16.899 -9.336 2.656 32 HG LEU 5 HG LEU 5 -19.569 -9.897 1.380 33 HD11 LEU 5 1HD1 LEU 5 -19.388 -12.088 1.790 34 HD12 LEU 5 2HD1 LEU 5 -18.526 -11.834 3.307 35 HD13 LEU 5 3HD1 LEU 5 -17.649 -11.793 1.777 36 HD21 LEU 5 1HD2 LEU 5 -20.089 -8.705 3.248 37 HD22 LEU 5 2HD2 LEU 5 -18.605 -9.157 4.087 38 HD23 LEU 5 3HD2 LEU 5 -19.940 -10.305 3.976 39 H VAL 6 HN VAL 6 -15.235 -8.372 1.489 40 HA VAL 6 HA VAL 6 -13.355 -7.740 0.341 41 HB VAL 6 HB VAL 6 -14.779 -8.068 -2.246 42 HG11 VAL 6 1HG1 VAL 6 -12.314 -7.846 -2.045 43 HG12 VAL 6 2HG1 VAL 6 -12.290 -9.359 -1.137 44 HG13 VAL 6 3HG1 VAL 6 -12.825 -9.346 -2.818 45 HG21 VAL 6 1HG2 VAL 6 -14.559 -10.231 -0.166 46 HG22 VAL 6 2HG2 VAL 6 -16.005 -9.676 -1.008 47 HG23 VAL 6 3HG2 VAL 6 -14.760 -10.567 -1.885 48 H SER 7 HN SER 7 -14.023 -5.470 1.139 49 HA SER 7 HA SER 7 -14.878 -3.659 -0.953 50 HB2 SER 7 2HB SER 7 -15.281 -3.570 1.688 51 HB3 SER 7 3HB SER 7 -13.791 -2.629 1.621 52 HG SER 7 HG SER 7 -16.294 -2.080 0.459 53 H CYS 8 HN CYS 8 -12.053 -3.671 1.227 54 HA CYS 8 HA CYS 8 -10.433 -1.853 0.150 55 HB2 CYS 8 2HB CYS 8 -9.887 -3.526 1.992 56 HB3 CYS 8 3HB CYS 8 -9.371 -4.621 0.714 57 H LYS 9 HN LYS 9 -9.242 -1.481 -1.648 58 HA LYS 9 HA LYS 9 -9.523 -3.424 -3.840 59 HB2 LYS 9 2HB LYS 9 -8.763 -0.539 -4.199 60 HB3 LYS 9 3HB LYS 9 -9.463 -1.644 -5.373 61 HG2 LYS 9 2HG LYS 9 -11.059 -1.006 -2.957 62 HG3 LYS 9 3HG LYS 9 -10.886 0.244 -4.192 63 HD2 LYS 9 2HD LYS 9 -11.515 -2.403 -5.267 64 HD3 LYS 9 3HD LYS 9 -12.763 -1.753 -4.202 65 HE2 LYS 9 2HE LYS 9 -12.193 0.425 -5.705 66 HE3 LYS 9 3HE LYS 9 -11.891 -0.864 -6.870 67 HZ1 LYS 9 1HZ LYS 9 -14.103 -1.706 -6.495 68 HZ2 LYS 9 2HZ LYS 9 -14.191 -0.073 -6.924 69 HZ3 LYS 9 3HZ LYS 9 -14.397 -0.535 -5.310 70 H LEU 10 HN LEU 10 -7.433 -3.188 -1.627 71 HA LEU 10 HA LEU 10 -5.056 -2.962 -3.348 72 HB2 LEU 10 2HB LEU 10 -5.348 -2.696 -0.361 73 HB3 LEU 10 3HB LEU 10 -3.801 -2.723 -1.204 74 HG LEU 10 HG LEU 10 -5.692 -0.691 -2.169 75 HD11 LEU 10 1HD1 LEU 10 -5.790 0.668 -0.334 76 HD12 LEU 10 2HD1 LEU 10 -4.359 -0.044 0.410 77 HD13 LEU 10 3HD1 LEU 10 -5.894 -0.912 0.446 78 HD21 LEU 10 1HD2 LEU 10 -2.781 -0.976 -1.600 79 HD22 LEU 10 2HD2 LEU 10 -3.480 0.641 -1.698 80 HD23 LEU 10 3HD2 LEU 10 -3.596 -0.458 -3.075 81 H CYS 11 HN CYS 11 -6.890 -5.045 -1.273 82 HA CYS 11 HA CYS 11 -5.091 -7.257 -1.964 83 HB2 CYS 11 2HB CYS 11 -5.236 -8.174 0.291 84 HB3 CYS 11 3HB CYS 11 -4.549 -6.553 0.338 85 H LEU 12 HN LEU 12 -8.032 -6.033 -2.309 86 HA LEU 12 HA LEU 12 -10.188 -6.849 -2.440 87 HB2 LEU 12 2HB LEU 12 -8.597 -8.982 -3.856 88 HB3 LEU 12 3HB LEU 12 -10.328 -8.704 -4.046 89 HG LEU 12 HG LEU 12 -9.569 -6.318 -4.797 90 HD11 LEU 12 1HD1 LEU 12 -7.228 -7.487 -6.034 91 HD12 LEU 12 2HD1 LEU 12 -7.085 -7.427 -4.278 92 HD13 LEU 12 3HD1 LEU 12 -7.412 -5.951 -5.186 93 HD21 LEU 12 1HD2 LEU 12 -10.736 -7.822 -6.253 94 HD22 LEU 12 2HD2 LEU 12 -9.291 -8.809 -6.474 95 HD23 LEU 12 3HD2 LEU 12 -9.349 -7.171 -7.127 96 H GLY 13 HN GLY 13 -9.939 -7.302 0.008 97 HA2 GLY 13 1HA GLY 13 -10.727 -10.104 0.414 98 HA3 GLY 13 2HA GLY 13 -9.477 -9.416 1.439 99 H GLU 14 HN GLU 14 -12.212 -10.466 2.029 100 HA GLU 14 HA GLU 14 -13.776 -8.190 2.818 101 HB2 GLU 14 2HB GLU 14 -15.093 -10.008 4.076 102 HB3 GLU 14 3HB GLU 14 -15.070 -10.073 2.319 103 HG2 GLU 14 2HG GLU 14 -14.143 -12.084 2.324 104 HG3 GLU 14 3HG GLU 14 -12.878 -11.573 3.440 105 H TYR 15 HN TYR 15 -13.549 -7.027 4.603 106 HA TYR 15 HA TYR 15 -12.494 -8.268 7.027 107 HB2 TYR 15 2HB TYR 15 -11.378 -5.635 6.073 108 HB3 TYR 15 3HB TYR 15 -10.789 -6.658 7.378 109 HD1 TYR 15 1HD TYR 15 -9.638 -8.803 6.834 110 HD2 TYR 15 2HD TYR 15 -10.675 -5.976 3.828 111 HE1 TYR 15 1HE TYR 15 -8.060 -9.880 5.285 112 HE2 TYR 15 2HE TYR 15 -9.101 -7.046 2.271 113 HH TYR 15 HH TYR 15 -6.975 -9.657 3.312 114 HA PRO 16 HA PRO 16 -15.592 -5.856 8.998 115 HB2 PRO 16 2HB PRO 16 -14.513 -5.610 11.478 116 HB3 PRO 16 3HB PRO 16 -15.196 -7.125 10.873 117 HG2 PRO 16 2HG PRO 16 -12.334 -6.259 11.013 118 HG3 PRO 16 3HG PRO 16 -13.047 -7.834 11.409 119 HD2 PRO 16 2HD PRO 16 -11.779 -7.357 9.064 120 HD3 PRO 16 3HD PRO 16 -13.141 -8.486 9.200 121 H VAL 17 HN VAL 17 -15.988 -3.797 10.080 122 HA VAL 17 HA VAL 17 -14.494 -1.679 8.930 123 HB VAL 17 HB VAL 17 -16.865 -1.910 10.665 124 HG11 VAL 17 1HG1 VAL 17 -16.797 0.506 11.257 125 HG12 VAL 17 2HG1 VAL 17 -15.589 -0.469 12.096 126 HG13 VAL 17 3HG1 VAL 17 -15.114 0.542 10.730 127 HG21 VAL 17 1HG2 VAL 17 -17.867 -0.624 9.035 128 HG22 VAL 17 2HG2 VAL 17 -16.372 0.218 8.629 129 HG23 VAL 17 3HG2 VAL 17 -16.615 -1.448 8.103 130 H GLU 18 HN GLU 18 -14.190 -3.439 11.862 131 HA GLU 18 HA GLU 18 -12.667 -1.371 13.213 132 HB2 GLU 18 2HB GLU 18 -12.543 -2.894 15.067 133 HB3 GLU 18 3HB GLU 18 -14.192 -2.902 14.455 134 HG2 GLU 18 2HG GLU 18 -14.077 -5.105 14.338 135 HG3 GLU 18 3HG GLU 18 -12.870 -4.932 13.065 136 H GLN 19 HN GLN 19 -11.713 -2.484 10.661 137 HA GLN 19 HA GLN 19 -8.997 -3.039 11.508 138 HB2 GLN 19 2HB GLN 19 -10.691 -5.017 10.014 139 HB3 GLN 19 3HB GLN 19 -8.947 -4.984 9.789 140 HG2 GLN 19 2HG GLN 19 -8.811 -5.161 12.341 141 HG3 GLN 19 3HG GLN 19 -10.507 -5.635 12.258 142 HE21 GLN 19 1HE2 GLN 19 -10.786 -7.735 12.294 143 HE22 GLN 19 2HE2 GLN 19 -9.730 -8.922 11.615 144 H MET 20 HN MET 20 -10.783 -1.106 9.897 145 HA MET 20 HA MET 20 -8.912 -0.861 7.644 146 HB2 MET 20 2HB MET 20 -11.603 0.111 7.047 147 HB3 MET 20 3HB MET 20 -10.522 -0.876 6.074 148 HG2 MET 20 2HG MET 20 -11.235 -2.714 7.853 149 HG3 MET 20 3HG MET 20 -12.660 -1.682 7.950 150 HE1 MET 20 1HE MET 20 -10.618 -2.234 4.416 151 HE2 MET 20 2HE MET 20 -10.196 -3.405 5.665 152 HE3 MET 20 3HE MET 20 -11.127 -3.916 4.256 153 H THR 21 HN THR 21 -9.267 1.402 6.578 154 HA THR 21 HA THR 21 -9.864 3.437 8.599 155 HB THR 21 HB THR 21 -7.244 3.192 7.120 156 HG1 THR 21 1HG THR 21 -8.105 2.736 9.674 157 HG21 THR 21 1HG2 THR 21 -8.271 5.542 8.716 158 HG22 THR 21 2HG2 THR 21 -8.051 5.505 6.967 159 HG23 THR 21 3HG2 THR 21 -6.653 5.379 8.034 160 H THR 22 HN THR 22 -10.533 5.408 7.780 161 HA THR 22 HA THR 22 -11.421 5.350 5.016 162 HB THR 22 HB THR 22 -11.920 7.421 7.163 163 HG1 THR 22 1HG THR 22 -13.309 5.982 7.839 164 HG21 THR 22 1HG2 THR 22 -12.714 8.689 5.509 165 HG22 THR 22 2HG2 THR 22 -13.947 7.460 5.228 166 HG23 THR 22 3HG2 THR 22 -12.432 7.410 4.329 167 H ILE 23 HN ILE 23 -10.622 6.552 3.389 168 HA ILE 23 HA ILE 23 -8.071 7.583 3.409 169 HB ILE 23 HB ILE 23 -10.342 8.479 1.632 170 HG12 ILE 23 2HG1 ILE 23 -9.929 6.023 1.644 171 HG13 ILE 23 3HG1 ILE 23 -9.592 6.772 0.087 172 HG21 ILE 23 1HG2 ILE 23 -8.105 9.822 1.797 173 HG22 ILE 23 2HG2 ILE 23 -7.473 8.496 0.822 174 HG23 ILE 23 3HG2 ILE 23 -8.818 9.468 0.223 175 HD11 ILE 23 1HD1 ILE 23 -7.925 5.100 1.540 176 HD12 ILE 23 2HD1 ILE 23 -7.496 6.061 0.124 177 HD13 ILE 23 3HD1 ILE 23 -7.235 6.709 1.743 178 H ALA 24 HN ALA 24 -11.103 9.223 4.122 179 HA ALA 24 HA ALA 24 -11.441 11.100 5.418 180 HB1 ALA 24 1HB ALA 24 -9.781 11.922 6.695 181 HB2 ALA 24 2HB ALA 24 -8.895 10.513 6.107 182 HB3 ALA 24 3HB ALA 24 -8.670 12.084 5.335 183 H GLN 25 HN GLN 25 -11.362 10.887 2.477 184 HA GLN 25 HA GLN 25 -11.593 13.697 1.904 185 HB2 GLN 25 2HB GLN 25 -9.244 12.153 1.044 186 HB3 GLN 25 3HB GLN 25 -10.048 13.026 -0.253 187 HG2 GLN 25 2HG GLN 25 -8.559 14.602 0.444 188 HG3 GLN 25 3HG GLN 25 -9.949 15.017 1.446 189 HE21 GLN 25 1HE2 GLN 25 -8.373 16.041 2.824 190 HE22 GLN 25 2HE2 GLN 25 -7.501 15.093 3.974 191 H CYS 26 HN CYS 26 -11.170 10.609 0.162 192 HA CYS 26 HA CYS 26 -13.422 11.288 -1.560 193 HB2 CYS 26 2HB CYS 26 -12.748 9.084 -2.684 194 HB3 CYS 26 3HB CYS 26 -11.610 10.423 -2.793 195 H GLN 27 HN GLN 27 -12.987 9.801 1.362 196 HA GLN 27 HA GLN 27 -14.302 8.501 2.687 197 HB2 GLN 27 2HB GLN 27 -16.243 9.353 0.567 198 HB3 GLN 27 3HB GLN 27 -16.733 8.185 1.788 199 HG2 GLN 27 2HG GLN 27 -17.396 10.410 2.442 200 HG3 GLN 27 3HG GLN 27 -16.168 9.792 3.544 201 HE21 GLN 27 1HE2 GLN 27 -14.754 11.262 4.115 202 HE22 GLN 27 2HE2 GLN 27 -14.172 12.561 3.135 203 H CYS 28 HN CYS 28 -12.643 6.904 1.726 204 HA CYS 28 HA CYS 28 -14.101 4.723 0.384 205 HB2 CYS 28 2HB CYS 28 -11.222 5.583 0.179 206 HB3 CYS 28 3HB CYS 28 -11.738 3.967 -0.291 207 H ILE 29 HN ILE 29 -12.685 2.575 0.797 208 HA ILE 29 HA ILE 29 -12.066 2.423 3.665 209 HB ILE 29 HB ILE 29 -14.433 1.495 2.739 210 HG12 ILE 29 2HG1 ILE 29 -12.949 -0.024 4.870 211 HG13 ILE 29 3HG1 ILE 29 -13.408 1.658 5.108 212 HG21 ILE 29 1HG2 ILE 29 -12.582 -0.883 2.697 213 HG22 ILE 29 2HG2 ILE 29 -14.331 -0.909 2.487 214 HG23 ILE 29 3HG2 ILE 29 -13.309 -0.137 1.274 215 HD11 ILE 29 1HD1 ILE 29 -15.126 0.451 6.096 216 HD12 ILE 29 2HD1 ILE 29 -15.776 0.887 4.515 217 HD13 ILE 29 3HD1 ILE 29 -15.164 -0.742 4.797 218 H PHE 30 HN PHE 30 -10.228 1.383 4.084 219 HA PHE 30 HA PHE 30 -9.294 -0.760 2.373 220 HB2 PHE 30 2HB PHE 30 -7.672 1.769 2.730 221 HB3 PHE 30 3HB PHE 30 -7.085 0.285 1.984 222 HD1 PHE 30 1HD PHE 30 -8.113 -0.498 -0.151 223 HD2 PHE 30 2HD PHE 30 -8.939 3.332 1.512 224 HE1 PHE 30 1HE PHE 30 -8.951 0.267 -2.335 225 HE2 PHE 30 2HE PHE 30 -9.779 4.102 -0.668 226 HZ PHE 30 HZ PHE 30 -9.786 2.568 -2.596 227 H CYS 31 HN CYS 31 -8.312 -2.279 3.549 228 HA CYS 31 HA CYS 31 -8.177 -2.175 6.328 229 HB2 CYS 31 2HB CYS 31 -7.102 -4.288 6.236 230 HB3 CYS 31 3HB CYS 31 -8.171 -4.235 4.838 231 H THR 32 HN THR 32 -6.756 -1.375 7.734 232 HA THR 32 HA THR 32 -4.886 0.475 7.328 233 HB THR 32 HB THR 32 -4.315 -1.753 9.280 234 HG1 THR 32 1HG THR 32 -6.428 0.030 9.169 235 HG21 THR 32 1HG2 THR 32 -3.181 -0.139 10.547 236 HG22 THR 32 2HG2 THR 32 -3.932 1.200 9.678 237 HG23 THR 32 3HG2 THR 32 -2.704 0.213 8.886 238 H LEU 33 HN LEU 33 -4.148 -3.008 7.265 239 HA LEU 33 HA LEU 33 -1.492 -3.080 6.847 240 HB2 LEU 33 2HB LEU 33 -3.695 -4.639 5.559 241 HB3 LEU 33 3HB LEU 33 -2.016 -4.941 5.117 242 HG LEU 33 HG LEU 33 -2.508 -4.972 8.004 243 HD11 LEU 33 1HD1 LEU 33 -3.414 -7.438 7.561 244 HD12 LEU 33 2HD1 LEU 33 -4.135 -6.630 6.170 245 HD13 LEU 33 3HD1 LEU 33 -4.486 -6.058 7.801 246 HD21 LEU 33 1HD2 LEU 33 -0.426 -5.667 6.746 247 HD22 LEU 33 2HD2 LEU 33 -1.330 -7.085 6.214 248 HD23 LEU 33 3HD2 LEU 33 -1.036 -6.819 7.934 249 H CYS 34 HN CYS 34 -3.684 -3.023 4.034 250 HA CYS 34 HA CYS 34 -1.682 -2.248 2.212 251 HB2 CYS 34 2HB CYS 34 -4.650 -1.780 1.895 252 HB3 CYS 34 3HB CYS 34 -3.454 -1.965 0.616 253 H LEU 35 HN LEU 35 -4.469 -0.314 3.325 254 HA LEU 35 HA LEU 35 -3.790 2.121 2.321 255 HB2 LEU 35 2HB LEU 35 -5.849 1.591 3.595 256 HB3 LEU 35 3HB LEU 35 -4.907 1.659 5.083 257 HG LEU 35 HG LEU 35 -4.601 3.996 4.895 258 HD11 LEU 35 1HD1 LEU 35 -5.347 5.286 2.946 259 HD12 LEU 35 2HD1 LEU 35 -5.768 3.784 2.124 260 HD13 LEU 35 3HD1 LEU 35 -4.086 4.125 2.530 261 HD21 LEU 35 1HD2 LEU 35 -7.315 4.215 3.944 262 HD22 LEU 35 2HD2 LEU 35 -6.669 4.457 5.568 263 HD23 LEU 35 3HD2 LEU 35 -7.132 2.841 5.033 264 H LYS 36 HN LYS 36 -2.160 0.390 4.802 265 HA LYS 36 HA LYS 36 -0.705 2.738 5.731 266 HB2 LYS 36 2HB LYS 36 -1.420 1.098 7.397 267 HB3 LYS 36 3HB LYS 36 -0.530 -0.166 6.560 268 HG2 LYS 36 2HG LYS 36 1.195 2.053 7.182 269 HG3 LYS 36 3HG LYS 36 0.380 1.459 8.630 270 HD2 LYS 36 2HD LYS 36 1.665 -0.449 6.711 271 HD3 LYS 36 3HD LYS 36 2.633 0.394 7.921 272 HE2 LYS 36 2HE LYS 36 0.332 -0.623 9.220 273 HE3 LYS 36 3HE LYS 36 0.997 -1.920 8.228 274 HZ1 LYS 36 1HZ LYS 36 3.171 -0.767 9.435 275 HZ2 LYS 36 2HZ LYS 36 2.448 -2.237 9.859 276 HZ3 LYS 36 3HZ LYS 36 1.999 -0.814 10.654 277 H GLN 37 HN GLN 37 0.396 -0.530 4.830 278 HA GLN 37 HA GLN 37 2.995 -0.020 4.271 279 HB2 GLN 37 2HB GLN 37 1.183 -2.098 3.700 280 HB3 GLN 37 3HB GLN 37 1.974 -1.713 2.177 281 HG2 GLN 37 2HG GLN 37 4.079 -2.266 2.982 282 HG3 GLN 37 3HG GLN 37 3.575 -2.130 4.666 283 HE21 GLN 37 1HE2 GLN 37 1.743 -3.703 5.233 284 HE22 GLN 37 2HE2 GLN 37 1.958 -5.328 4.687 285 H TYR 38 HN TYR 38 0.270 1.077 2.470 286 HA TYR 38 HA TYR 38 1.752 1.695 0.076 287 HB2 TYR 38 2HB TYR 38 -0.354 1.533 -0.685 288 HB3 TYR 38 3HB TYR 38 -1.033 1.734 0.926 289 HD1 TYR 38 1HD TYR 38 0.932 3.998 -1.310 290 HD2 TYR 38 2HD TYR 38 -2.652 3.376 0.897 291 HE1 TYR 38 1HE TYR 38 0.172 6.257 -1.917 292 HE2 TYR 38 2HE TYR 38 -3.422 5.633 0.294 293 HH TYR 38 HH TYR 38 -3.029 7.435 -0.970 294 H VAL 39 HN VAL 39 0.113 3.658 2.564 295 HA VAL 39 HA VAL 39 1.357 6.081 1.666 296 HB VAL 39 HB VAL 39 0.303 7.130 3.609 297 HG11 VAL 39 1HG1 VAL 39 -0.946 6.265 1.430 298 HG12 VAL 39 2HG1 VAL 39 -1.839 5.328 2.628 299 HG13 VAL 39 3HG1 VAL 39 -1.798 7.088 2.735 300 HG21 VAL 39 1HG2 VAL 39 0.486 5.589 5.351 301 HG22 VAL 39 2HG2 VAL 39 -1.240 5.599 4.986 302 HG23 VAL 39 3HG2 VAL 39 -0.222 4.284 4.399 303 H GLU 40 HN GLU 40 1.656 4.092 4.609 304 HA GLU 40 HA GLU 40 3.467 5.360 6.099 305 HB2 GLU 40 2HB GLU 40 2.660 2.714 5.866 306 HB3 GLU 40 3HB GLU 40 4.406 2.636 5.674 307 HG2 GLU 40 2HG GLU 40 3.450 4.309 7.894 308 HG3 GLU 40 3HG GLU 40 3.140 2.581 8.047 309 H LEU 41 HN LEU 41 4.118 3.936 2.972 310 HA LEU 41 HA LEU 41 6.971 4.372 3.162 311 HB2 LEU 41 2HB LEU 41 5.143 2.984 1.388 312 HB3 LEU 41 3HB LEU 41 6.356 3.903 0.499 313 HG LEU 41 HG LEU 41 8.117 2.628 1.345 314 HD11 LEU 41 1HD1 LEU 41 7.919 2.496 3.617 315 HD12 LEU 41 2HD1 LEU 41 7.491 0.843 3.176 316 HD13 LEU 41 3HD1 LEU 41 6.224 2.010 3.554 317 HD21 LEU 41 1HD2 LEU 41 5.906 1.335 0.167 318 HD22 LEU 41 2HD2 LEU 41 6.544 0.243 1.396 319 HD23 LEU 41 3HD2 LEU 41 7.601 0.851 0.121 320 H LEU 42 HN LEU 42 4.232 5.779 1.407 321 HA LEU 42 HA LEU 42 5.860 7.786 0.147 322 HB2 LEU 42 2HB LEU 42 2.900 7.308 0.315 323 HB3 LEU 42 3HB LEU 42 3.571 8.745 -0.453 324 HG LEU 42 HG LEU 42 4.329 5.972 -1.333 325 HD11 LEU 42 1HD1 LEU 42 2.111 5.775 -1.794 326 HD12 LEU 42 2HD1 LEU 42 2.616 6.666 -3.229 327 HD13 LEU 42 3HD1 LEU 42 1.857 7.518 -1.884 328 HD21 LEU 42 1HD2 LEU 42 5.800 7.303 -2.411 329 HD22 LEU 42 2HD2 LEU 42 4.789 8.739 -2.250 330 HD23 LEU 42 3HD2 LEU 42 4.438 7.550 -3.505 331 H ILE 43 HN ILE 43 3.089 8.068 2.379 332 HA ILE 43 HA ILE 43 3.186 10.658 3.079 333 HB ILE 43 HB ILE 43 2.062 8.388 4.226 334 HG12 ILE 43 2HG1 ILE 43 1.123 10.372 5.807 335 HG13 ILE 43 3HG1 ILE 43 1.845 11.326 4.516 336 HG21 ILE 43 1HG2 ILE 43 2.465 8.590 6.610 337 HG22 ILE 43 2HG2 ILE 43 3.974 8.253 5.762 338 HG23 ILE 43 3HG2 ILE 43 3.625 9.888 6.323 339 HD11 ILE 43 1HD1 ILE 43 -0.678 10.255 4.522 340 HD12 ILE 43 2HD1 ILE 43 0.198 10.839 3.107 341 HD13 ILE 43 3HD1 ILE 43 0.233 9.125 3.521 342 H LYS 44 HN LYS 44 5.572 8.265 3.887 343 HA LYS 44 HA LYS 44 6.886 9.792 5.916 344 HB2 LYS 44 2HB LYS 44 7.084 7.178 4.848 345 HB3 LYS 44 3HB LYS 44 8.662 7.929 4.646 346 HG2 LYS 44 2HG LYS 44 8.548 6.732 6.745 347 HG3 LYS 44 3HG LYS 44 8.709 8.466 7.032 348 HD2 LYS 44 2HD LYS 44 6.994 8.153 8.456 349 HD3 LYS 44 3HD LYS 44 6.008 8.193 6.991 350 HE2 LYS 44 2HE LYS 44 5.318 6.131 7.437 351 HE3 LYS 44 3HE LYS 44 6.974 5.559 7.246 352 HZ1 LYS 44 1HZ LYS 44 6.987 6.595 9.738 353 HZ2 LYS 44 2HZ LYS 44 6.781 4.957 9.372 354 HZ3 LYS 44 3HZ LYS 44 5.431 5.937 9.645 355 H GLU 45 HN GLU 45 7.465 9.216 2.464 356 HA GLU 45 HA GLU 45 9.814 10.835 2.363 357 HB2 GLU 45 2HB GLU 45 8.736 8.967 0.709 358 HB3 GLU 45 3HB GLU 45 8.290 10.444 -0.133 359 HG2 GLU 45 2HG GLU 45 10.986 9.309 0.406 360 HG3 GLU 45 3HG GLU 45 10.314 9.961 -1.088 361 H GLY 46 HN GLY 46 6.777 11.352 0.573 362 HA2 GLY 46 1HA GLY 46 5.503 13.264 0.315 363 HA3 GLY 46 2HA GLY 46 6.449 14.017 1.591 364 H LEU 47 HN LEU 47 7.205 12.744 -1.655 365 HA LEU 47 HA LEU 47 8.859 15.092 -2.150 366 HB2 LEU 47 2HB LEU 47 9.479 13.864 -4.235 367 HB3 LEU 47 3HB LEU 47 9.882 13.036 -2.734 368 HG LEU 47 HG LEU 47 7.319 12.334 -4.069 369 HD11 LEU 47 1HD1 LEU 47 9.287 12.461 -5.768 370 HD12 LEU 47 2HD1 LEU 47 8.246 11.039 -5.733 371 HD13 LEU 47 3HD1 LEU 47 9.830 10.990 -4.963 372 HD21 LEU 47 1HD2 LEU 47 7.398 10.662 -2.613 373 HD22 LEU 47 2HD2 LEU 47 8.848 11.388 -1.919 374 HD23 LEU 47 3HD2 LEU 47 8.992 10.172 -3.189 375 H GLU 48 HN GLU 48 5.853 13.648 -3.186 376 HA GLU 48 HA GLU 48 4.674 15.953 -4.097 377 HB2 GLU 48 2HB GLU 48 4.818 15.376 -6.652 378 HB3 GLU 48 3HB GLU 48 6.074 16.338 -5.886 379 HG2 GLU 48 2HG GLU 48 7.571 14.525 -5.823 380 HG3 GLU 48 3HG GLU 48 6.300 13.362 -6.196 381 H THR 49 HN THR 49 5.035 12.517 -4.322 382 HA THR 49 HA THR 49 2.909 11.592 -5.704 383 HB THR 49 HB THR 49 3.514 10.570 -2.928 384 HG1 THR 49 1HG THR 49 4.893 9.162 -4.596 385 HG21 THR 49 1HG2 THR 49 2.979 8.739 -5.173 386 HG22 THR 49 2HG2 THR 49 1.615 9.742 -4.676 387 HG23 THR 49 3HG2 THR 49 2.407 8.687 -3.506 388 H ALA 50 HN ALA 50 2.777 13.487 -2.815 389 HA ALA 50 HA ALA 50 1.062 14.273 -1.531 390 HB1 ALA 50 1HB ALA 50 0.557 15.390 -3.642 391 HB2 ALA 50 2HB ALA 50 -0.435 14.018 -4.137 392 HB3 ALA 50 3HB ALA 50 -0.918 15.004 -2.756 393 H ILE 51 HN ILE 51 1.336 11.248 -2.036 394 HA ILE 51 HA ILE 51 0.105 9.311 -1.719 395 HB ILE 51 HB ILE 51 -0.602 10.985 0.692 396 HG12 ILE 51 2HG1 ILE 51 1.266 9.822 1.757 397 HG13 ILE 51 3HG1 ILE 51 1.559 8.905 0.284 398 HG21 ILE 51 1HG2 ILE 51 -0.689 7.984 0.445 399 HG22 ILE 51 2HG2 ILE 51 -1.183 8.963 1.825 400 HG23 ILE 51 3HG2 ILE 51 -2.107 9.026 0.324 401 HD11 ILE 51 1HD1 ILE 51 2.588 10.634 -0.747 402 HD12 ILE 51 2HD1 ILE 51 1.608 11.852 0.069 403 HD13 ILE 51 3HD1 ILE 51 2.941 11.075 0.924 404 H SER 52 HN SER 52 -1.398 9.395 -3.432 405 HA SER 52 HA SER 52 -4.035 10.513 -2.810 406 HB2 SER 52 2HB SER 52 -3.139 11.198 -4.956 407 HB3 SER 52 3HB SER 52 -2.853 9.520 -5.415 408 HG SER 52 HG SER 52 -4.759 9.935 -6.332 409 H CYS 53 HN CYS 53 -5.931 9.271 -3.027 410 HA CYS 53 HA CYS 53 -6.160 6.917 -1.806 411 HB2 CYS 53 2HB CYS 53 -8.085 8.177 -2.676 412 HB3 CYS 53 3HB CYS 53 -7.698 7.643 -4.308 413 HA PRO 54 HA PRO 54 -3.902 3.895 -4.103 414 HB2 PRO 54 2HB PRO 54 -4.915 1.685 -2.894 415 HB3 PRO 54 3HB PRO 54 -3.735 2.749 -2.119 416 HG2 PRO 54 2HG PRO 54 -6.707 2.648 -1.774 417 HG3 PRO 54 3HG PRO 54 -5.443 2.823 -0.543 418 HD2 PRO 54 2HD PRO 54 -6.872 4.925 -1.473 419 HD3 PRO 54 3HD PRO 54 -5.182 5.076 -0.950 420 H ASP 55 HN ASP 55 -7.138 4.547 -4.424 421 HA ASP 55 HA ASP 55 -7.606 2.323 -6.288 422 HB2 ASP 55 2HB ASP 55 -9.336 2.520 -4.617 423 HB3 ASP 55 3HB ASP 55 -9.530 4.238 -4.958 424 H ALA 56 HN ALA 56 -6.288 3.252 -7.940 425 HA ALA 56 HA ALA 56 -6.418 5.779 -9.007 426 HB1 ALA 56 1HB ALA 56 -4.829 4.755 -10.189 427 HB2 ALA 56 2HB ALA 56 -5.549 3.166 -9.931 428 HB3 ALA 56 3HB ALA 56 -6.127 4.192 -11.244 429 H ALA 57 HN ALA 57 -8.832 3.344 -9.069 430 HA ALA 57 HA ALA 57 -10.300 4.677 -11.228 431 HB1 ALA 57 1HB ALA 57 -10.095 1.964 -10.327 432 HB2 ALA 57 2HB ALA 57 -11.781 2.484 -10.287 433 HB3 ALA 57 3HB ALA 57 -10.858 2.603 -11.785 434 H CYS 58 HN CYS 58 -9.935 5.738 -8.454 435 HA CYS 58 HA CYS 58 -12.477 5.524 -7.150 436 HB2 CYS 58 2HB CYS 58 -10.253 6.034 -6.029 437 HB3 CYS 58 3HB CYS 58 -10.395 7.660 -6.690 438 HA PRO 59 HA PRO 59 -14.645 8.518 -9.575 439 HB2 PRO 59 2HB PRO 59 -16.743 8.883 -7.892 440 HB3 PRO 59 3HB PRO 59 -16.557 7.441 -8.897 441 HG2 PRO 59 2HG PRO 59 -15.907 7.829 -6.001 442 HG3 PRO 59 3HG PRO 59 -16.699 6.455 -6.795 443 HD2 PRO 59 2HD PRO 59 -14.083 6.424 -6.097 444 HD3 PRO 59 3HD PRO 59 -14.702 5.560 -7.519 445 H LYS 60 HN LYS 60 -13.340 9.061 -6.454 446 HA LYS 60 HA LYS 60 -13.759 11.963 -6.762 447 HB2 LYS 60 2HB LYS 60 -14.057 10.191 -4.430 448 HB3 LYS 60 3HB LYS 60 -13.149 11.664 -4.116 449 HG2 LYS 60 2HG LYS 60 -15.706 11.930 -5.587 450 HG3 LYS 60 3HG LYS 60 -15.785 11.531 -3.870 451 HD2 LYS 60 2HD LYS 60 -14.192 13.488 -3.510 452 HD3 LYS 60 3HD LYS 60 -14.560 13.949 -5.174 453 HE2 LYS 60 2HE LYS 60 -16.750 13.439 -3.193 454 HE3 LYS 60 3HE LYS 60 -15.931 14.999 -3.254 455 HZ1 LYS 60 1HZ LYS 60 -16.523 14.519 -5.849 456 HZ2 LYS 60 2HZ LYS 60 -17.431 15.495 -4.807 457 HZ3 LYS 60 3HZ LYS 60 -17.873 13.880 -5.053 458 H GLN 61 HN GLN 61 -11.524 9.372 -6.233 459 HA GLN 61 HA GLN 61 -9.261 9.323 -5.835 460 HB2 GLN 61 2HB GLN 61 -9.740 11.246 -8.072 461 HB3 GLN 61 3HB GLN 61 -8.101 11.031 -7.475 462 HG2 GLN 61 2HG GLN 61 -8.899 8.453 -7.773 463 HG3 GLN 61 3HG GLN 61 -9.773 9.247 -9.083 464 HE21 GLN 61 1HE2 GLN 61 -7.250 7.461 -8.711 465 HE22 GLN 61 2HE2 GLN 61 -6.109 8.198 -9.779 466 H GLY 62 HN GLY 62 -9.875 10.333 -3.642 467 HA2 GLY 62 1HA GLY 62 -9.028 13.089 -3.304 468 HA3 GLY 62 2HA GLY 62 -9.626 12.018 -2.046 469 H HIS 63 HN HIS 63 -7.462 13.658 -1.591 470 HA HIS 63 HA HIS 63 -5.112 11.915 -1.788 471 HB2 HIS 63 2HB HIS 63 -5.385 14.842 -1.083 472 HB3 HIS 63 3HB HIS 63 -3.865 13.955 -1.015 473 HD1 HIS 63 1HD HIS 63 -6.476 15.080 -3.509 474 HD2 HIS 63 2HD HIS 63 -2.546 13.734 -3.406 475 HE1 HIS 63 1HE HIS 63 -5.601 15.381 -5.847 476 H LEU 64 HN LEU 64 -3.606 12.156 0.211 477 HA LEU 64 HA LEU 64 -5.253 11.771 2.625 478 HB2 LEU 64 2HB LEU 64 -2.714 10.408 1.758 479 HB3 LEU 64 3HB LEU 64 -3.363 10.293 3.392 480 HG LEU 64 HG LEU 64 -3.824 8.369 1.760 481 HD11 LEU 64 1HD1 LEU 64 -6.451 8.788 2.598 482 HD12 LEU 64 2HD1 LEU 64 -5.444 9.617 3.786 483 HD13 LEU 64 3HD1 LEU 64 -5.183 7.905 3.450 484 HD21 LEU 64 1HD2 LEU 64 -5.519 8.596 0.170 485 HD22 LEU 64 2HD2 LEU 64 -4.529 10.039 -0.053 486 HD23 LEU 64 3HD2 LEU 64 -6.056 10.143 0.825 487 H GLN 65 HN GLN 65 -4.169 12.260 4.678 488 HA GLN 65 HA GLN 65 -2.655 14.731 4.447 489 HB2 GLN 65 2HB GLN 65 -3.168 13.797 7.156 490 HB3 GLN 65 3HB GLN 65 -3.622 15.312 6.386 491 HG2 GLN 65 2HG GLN 65 -5.667 14.402 6.889 492 HG3 GLN 65 3HG GLN 65 -5.440 13.881 5.220 493 HE21 GLN 65 1HE2 GLN 65 -3.343 11.959 6.247 494 HE22 GLN 65 2HE2 GLN 65 -4.256 10.622 6.849 495 H GLU 66 HN GLU 66 -0.687 15.117 5.556 496 HA GLU 66 HA GLU 66 1.043 12.793 5.615 497 HB2 GLU 66 2HB GLU 66 1.438 15.748 5.631 498 HB3 GLU 66 3HB GLU 66 2.721 14.738 6.280 499 HG2 GLU 66 2HG GLU 66 2.465 13.435 4.049 500 HG3 GLU 66 3HG GLU 66 1.680 14.912 3.492 501 H ASN 67 HN ASN 67 -0.638 14.807 7.843 502 HA ASN 67 HA ASN 67 1.001 13.980 10.105 503 HB2 ASN 67 2HB ASN 67 -1.421 15.382 10.834 504 HB3 ASN 67 3HB ASN 67 0.258 15.857 11.077 505 HD21 ASN 67 1HD2 ASN 67 -2.577 16.269 9.206 506 HD22 ASN 67 2HD2 ASN 67 -1.973 17.497 8.151 507 H GLU 68 HN GLU 68 -2.451 13.838 9.207 508 HA GLU 68 HA GLU 68 -3.347 12.201 11.238 509 HB2 GLU 68 2HB GLU 68 -4.316 13.084 8.683 510 HB3 GLU 68 3HB GLU 68 -4.714 11.386 8.903 511 HG2 GLU 68 2HG GLU 68 -5.250 13.145 11.203 512 HG3 GLU 68 3HG GLU 68 -6.246 13.407 9.774 513 H ILE 69 HN ILE 69 -2.351 11.124 7.985 514 HA ILE 69 HA ILE 69 -2.510 8.392 8.423 515 HB ILE 69 HB ILE 69 -0.650 9.948 6.629 516 HG12 ILE 69 2HG1 ILE 69 -3.408 8.967 6.462 517 HG13 ILE 69 3HG1 ILE 69 -2.605 10.230 5.535 518 HG21 ILE 69 1HG2 ILE 69 -0.244 7.825 5.453 519 HG22 ILE 69 2HG2 ILE 69 0.376 7.807 7.104 520 HG23 ILE 69 3HG2 ILE 69 -1.129 6.973 6.717 521 HD11 ILE 69 1HD1 ILE 69 -3.365 8.423 4.104 522 HD12 ILE 69 2HD1 ILE 69 -1.605 8.537 4.095 523 HD13 ILE 69 3HD1 ILE 69 -2.402 7.271 5.028 524 H GLU 70 HN GLU 70 0.544 10.242 8.388 525 HA GLU 70 HA GLU 70 2.196 8.312 9.431 526 HB2 GLU 70 2HB GLU 70 3.761 9.991 9.819 527 HB3 GLU 70 3HB GLU 70 2.735 10.697 8.580 528 HG2 GLU 70 2HG GLU 70 1.625 12.074 10.155 529 HG3 GLU 70 3HG GLU 70 2.353 11.217 11.513 530 H CYS 71 HN CYS 71 -0.126 10.304 11.096 531 HA CYS 71 HA CYS 71 0.828 9.875 13.731 532 HB2 CYS 71 2HB CYS 71 -1.600 10.993 12.478 533 HB3 CYS 71 3HB CYS 71 -1.831 10.323 14.088 534 HG CYS 71 HG CYS 71 0.492 12.718 13.330 535 H MET 72 HN MET 72 -1.238 8.054 11.584 536 HA MET 72 HA MET 72 -2.099 6.239 13.672 537 HB2 MET 72 2HB MET 72 -3.643 5.480 12.190 538 HB3 MET 72 3HB MET 72 -3.294 7.009 11.395 539 HG2 MET 72 2HG MET 72 -1.414 5.467 10.261 540 HG3 MET 72 3HG MET 72 -2.651 4.254 10.579 541 HE1 MET 72 1HE MET 72 -2.299 5.124 6.978 542 HE2 MET 72 2HE MET 72 -2.210 3.908 8.251 543 HE3 MET 72 3HE MET 72 -3.712 4.139 7.354 544 H VAL 73 HN VAL 73 0.767 6.632 12.346 545 HA VAL 73 HA VAL 73 1.422 3.787 12.534 546 HB VAL 73 HB VAL 73 3.117 4.457 10.549 547 HG11 VAL 73 1HG1 VAL 73 1.838 2.451 10.522 548 HG12 VAL 73 2HG1 VAL 73 0.327 3.343 10.332 549 HG13 VAL 73 3HG1 VAL 73 1.500 3.302 9.015 550 HG21 VAL 73 1HG2 VAL 73 2.360 6.002 9.083 551 HG22 VAL 73 2HG2 VAL 73 0.664 5.640 9.407 552 HG23 VAL 73 3HG2 VAL 73 1.577 6.659 10.520 553 H ALA 74 HN ALA 74 3.088 6.820 11.661 554 HA ALA 74 HA ALA 74 5.324 6.123 13.358 555 HB1 ALA 74 1HB ALA 74 5.089 7.564 11.038 556 HB2 ALA 74 2HB ALA 74 5.314 8.823 12.253 557 HB3 ALA 74 3HB ALA 74 6.505 7.533 12.089 558 H ALA 75 HN ALA 75 2.828 6.527 14.716 559 HA ALA 75 HA ALA 75 2.184 8.853 15.859 560 HB1 ALA 75 1HB ALA 75 1.835 7.631 18.013 561 HB2 ALA 75 2HB ALA 75 1.139 6.840 16.600 562 HB3 ALA 75 3HB ALA 75 2.647 6.242 17.289 Start of MODEL 8 1 H1 ALA 1 HN ALA 1 -22.047 -2.442 4.600 2 HA ALA 1 HA ALA 1 -20.787 -4.400 4.233 3 HB1 ALA 1 1HB ALA 1 -18.562 -3.102 5.792 4 HB2 ALA 1 2HB ALA 1 -18.483 -4.569 4.816 5 HB3 ALA 1 3HB ALA 1 -18.718 -3.004 4.037 6 H LEU 2 HN LEU 2 -21.928 -5.779 5.436 7 HA LEU 2 HA LEU 2 -21.207 -6.142 8.220 8 HB2 LEU 2 2HB LEU 2 -23.063 -4.460 8.181 9 HB3 LEU 2 3HB LEU 2 -24.090 -5.700 7.462 10 HG LEU 2 HG LEU 2 -22.845 -6.593 9.934 11 HD11 LEU 2 1HD1 LEU 2 -22.990 -4.635 11.029 12 HD12 LEU 2 2HD1 LEU 2 -24.706 -5.031 11.109 13 HD13 LEU 2 3HD1 LEU 2 -24.111 -3.939 9.859 14 HD21 LEU 2 1HD2 LEU 2 -24.860 -7.477 8.556 15 HD22 LEU 2 2HD2 LEU 2 -25.774 -6.249 9.431 16 HD23 LEU 2 3HD2 LEU 2 -24.930 -7.519 10.318 17 H ASP 3 HN ASP 3 -23.966 -7.126 6.188 18 HA ASP 3 HA ASP 3 -23.900 -9.815 7.016 19 HB2 ASP 3 2HB ASP 3 -25.380 -8.209 5.073 20 HB3 ASP 3 3HB ASP 3 -25.121 -9.867 4.537 21 HA PRO 4 HA PRO 4 -21.758 -10.890 2.844 22 HB2 PRO 4 2HB PRO 4 -21.027 -8.842 1.217 23 HB3 PRO 4 3HB PRO 4 -22.619 -9.608 1.142 24 HG2 PRO 4 2HG PRO 4 -21.806 -7.055 2.478 25 HG3 PRO 4 3HG PRO 4 -23.250 -7.399 1.505 26 HD2 PRO 4 2HD PRO 4 -23.296 -7.346 4.212 27 HD3 PRO 4 3HD PRO 4 -24.343 -8.418 3.260 28 H LEU 5 HN LEU 5 -19.501 -10.204 1.686 29 HA LEU 5 HA LEU 5 -17.744 -9.082 3.758 30 HB2 LEU 5 2HB LEU 5 -16.702 -11.320 2.128 31 HB3 LEU 5 3HB LEU 5 -16.345 -10.870 3.793 32 HG LEU 5 HG LEU 5 -18.898 -11.730 4.048 33 HD11 LEU 5 1HD1 LEU 5 -18.101 -12.611 1.478 34 HD12 LEU 5 2HD1 LEU 5 -19.582 -12.987 2.359 35 HD13 LEU 5 3HD1 LEU 5 -18.163 -14.021 2.536 36 HD21 LEU 5 1HD2 LEU 5 -16.318 -13.275 4.193 37 HD22 LEU 5 2HD2 LEU 5 -17.857 -13.899 4.787 38 HD23 LEU 5 3HD2 LEU 5 -17.160 -12.443 5.500 39 H VAL 6 HN VAL 6 -15.337 -9.464 2.397 40 HA VAL 6 HA VAL 6 -13.983 -8.460 0.867 41 HB VAL 6 HB VAL 6 -16.227 -8.296 -1.105 42 HG11 VAL 6 1HG1 VAL 6 -13.675 -9.502 -1.858 43 HG12 VAL 6 2HG1 VAL 6 -14.586 -8.200 -2.626 44 HG13 VAL 6 3HG1 VAL 6 -13.530 -7.850 -1.257 45 HG21 VAL 6 1HG2 VAL 6 -15.330 -10.713 0.269 46 HG22 VAL 6 2HG2 VAL 6 -16.769 -10.434 -0.711 47 HG23 VAL 6 3HG2 VAL 6 -15.235 -10.820 -1.489 48 H SER 7 HN SER 7 -13.352 -6.426 1.071 49 HA SER 7 HA SER 7 -15.225 -4.267 0.440 50 HB2 SER 7 2HB SER 7 -14.665 -4.923 3.063 51 HB3 SER 7 3HB SER 7 -13.518 -3.625 2.731 52 HG SER 7 HG SER 7 -16.069 -3.388 3.288 53 H CYS 8 HN CYS 8 -11.947 -4.466 1.821 54 HA CYS 8 HA CYS 8 -10.814 -2.334 0.553 55 HB2 CYS 8 2HB CYS 8 -9.757 -3.869 2.281 56 HB3 CYS 8 3HB CYS 8 -9.343 -4.941 0.947 57 H LYS 9 HN LYS 9 -9.401 -2.136 -1.291 58 HA LYS 9 HA LYS 9 -10.006 -4.048 -3.448 59 HB2 LYS 9 2HB LYS 9 -9.753 -1.050 -3.745 60 HB3 LYS 9 3HB LYS 9 -10.103 -2.198 -5.031 61 HG2 LYS 9 2HG LYS 9 -12.262 -2.562 -4.301 62 HG3 LYS 9 3HG LYS 9 -11.906 -2.024 -2.658 63 HD2 LYS 9 2HD LYS 9 -11.439 0.079 -4.590 64 HD3 LYS 9 3HD LYS 9 -13.092 -0.532 -4.687 65 HE2 LYS 9 2HE LYS 9 -11.682 0.533 -2.245 66 HE3 LYS 9 3HE LYS 9 -13.018 1.287 -3.114 67 HZ1 LYS 9 1HZ LYS 9 -13.046 -1.004 -1.287 68 HZ2 LYS 9 2HZ LYS 9 -14.179 -0.971 -2.541 69 HZ3 LYS 9 3HZ LYS 9 -14.131 0.288 -1.412 70 H LEU 10 HN LEU 10 -7.684 -3.699 -1.585 71 HA LEU 10 HA LEU 10 -5.601 -3.343 -3.639 72 HB2 LEU 10 2HB LEU 10 -5.524 -2.673 -0.704 73 HB3 LEU 10 3HB LEU 10 -4.091 -2.730 -1.729 74 HG LEU 10 HG LEU 10 -6.383 -0.934 -2.432 75 HD11 LEU 10 1HD1 LEU 10 -5.653 0.779 -1.043 76 HD12 LEU 10 2HD1 LEU 10 -4.110 -0.008 -0.715 77 HD13 LEU 10 3HD1 LEU 10 -5.592 -0.642 -0.001 78 HD21 LEU 10 1HD2 LEU 10 -3.841 -1.519 -3.515 79 HD22 LEU 10 2HD2 LEU 10 -3.768 0.120 -2.866 80 HD23 LEU 10 3HD2 LEU 10 -5.004 -0.305 -4.051 81 H CYS 11 HN CYS 11 -7.085 -5.440 -1.452 82 HA CYS 11 HA CYS 11 -5.011 -7.446 -1.929 83 HB2 CYS 11 2HB CYS 11 -5.076 -8.194 0.412 84 HB3 CYS 11 3HB CYS 11 -4.503 -6.534 0.284 85 H LEU 12 HN LEU 12 -8.282 -6.666 -0.901 86 HA LEU 12 HA LEU 12 -10.254 -7.782 -1.081 87 HB2 LEU 12 2HB LEU 12 -8.622 -9.174 -3.179 88 HB3 LEU 12 3HB LEU 12 -10.287 -9.645 -2.845 89 HG LEU 12 HG LEU 12 -9.596 -6.814 -3.553 90 HD11 LEU 12 1HD1 LEU 12 -10.384 -7.604 -5.902 91 HD12 LEU 12 2HD1 LEU 12 -9.812 -9.181 -5.360 92 HD13 LEU 12 3HD1 LEU 12 -8.699 -7.814 -5.424 93 HD21 LEU 12 1HD2 LEU 12 -11.810 -7.241 -2.643 94 HD22 LEU 12 2HD2 LEU 12 -12.083 -8.495 -3.852 95 HD23 LEU 12 3HD2 LEU 12 -11.916 -6.811 -4.350 96 H GLY 13 HN GLY 13 -9.142 -8.461 1.154 97 HA2 GLY 13 1HA GLY 13 -9.002 -11.404 1.250 98 HA3 GLY 13 2HA GLY 13 -8.333 -10.319 2.462 99 H GLU 14 HN GLU 14 -11.004 -8.766 2.062 100 HA GLU 14 HA GLU 14 -13.154 -8.815 2.885 101 HB2 GLU 14 2HB GLU 14 -12.739 -11.571 3.996 102 HB3 GLU 14 3HB GLU 14 -14.230 -10.807 3.461 103 HG2 GLU 14 2HG GLU 14 -14.008 -11.663 1.437 104 HG3 GLU 14 3HG GLU 14 -12.389 -10.984 1.274 105 H TYR 15 HN TYR 15 -13.394 -7.537 4.584 106 HA TYR 15 HA TYR 15 -12.704 -8.449 7.233 107 HB2 TYR 15 2HB TYR 15 -11.474 -5.846 6.349 108 HB3 TYR 15 3HB TYR 15 -11.131 -6.785 7.799 109 HD1 TYR 15 1HD TYR 15 -10.530 -6.491 4.192 110 HD2 TYR 15 2HD TYR 15 -9.637 -8.687 7.725 111 HE1 TYR 15 1HE TYR 15 -8.648 -7.574 3.036 112 HE2 TYR 15 2HE TYR 15 -7.752 -9.775 6.580 113 HH TYR 15 HH TYR 15 -6.914 -8.949 3.230 114 HA PRO 16 HA PRO 16 -16.194 -5.999 8.286 115 HB2 PRO 16 2HB PRO 16 -15.656 -5.457 10.891 116 HB3 PRO 16 3HB PRO 16 -16.155 -7.055 10.326 117 HG2 PRO 16 2HG PRO 16 -13.409 -6.039 10.947 118 HG3 PRO 16 3HG PRO 16 -14.144 -7.601 11.357 119 HD2 PRO 16 2HD PRO 16 -12.435 -7.294 9.279 120 HD3 PRO 16 3HD PRO 16 -13.763 -8.472 9.258 121 H VAL 17 HN VAL 17 -16.879 -3.867 8.858 122 HA VAL 17 HA VAL 17 -15.239 -1.808 7.872 123 HB VAL 17 HB VAL 17 -17.902 -2.025 8.386 124 HG11 VAL 17 1HG1 VAL 17 -18.604 -0.649 10.124 125 HG12 VAL 17 2HG1 VAL 17 -17.251 -1.531 10.835 126 HG13 VAL 17 3HG1 VAL 17 -17.029 0.128 10.276 127 HG21 VAL 17 1HG2 VAL 17 -16.097 0.226 7.671 128 HG22 VAL 17 2HG2 VAL 17 -17.361 -0.556 6.721 129 HG23 VAL 17 3HG2 VAL 17 -17.794 0.589 7.990 130 H GLU 18 HN GLU 18 -15.091 -3.388 10.799 131 HA GLU 18 HA GLU 18 -14.115 -1.065 12.284 132 HB2 GLU 18 2HB GLU 18 -14.469 -2.249 14.227 133 HB3 GLU 18 3HB GLU 18 -15.708 -2.944 13.191 134 HG2 GLU 18 2HG GLU 18 -14.881 -4.923 13.743 135 HG3 GLU 18 3HG GLU 18 -13.509 -4.532 12.708 136 H GLN 19 HN GLN 19 -12.864 -3.143 10.132 137 HA GLN 19 HA GLN 19 -10.245 -3.245 11.479 138 HB2 GLN 19 2HB GLN 19 -11.706 -5.217 9.845 139 HB3 GLN 19 3HB GLN 19 -10.000 -5.046 9.456 140 HG2 GLN 19 2HG GLN 19 -9.523 -5.377 11.903 141 HG3 GLN 19 3HG GLN 19 -11.220 -5.817 12.088 142 HE21 GLN 19 1HE2 GLN 19 -11.928 -7.780 11.370 143 HE22 GLN 19 2HE2 GLN 19 -10.872 -9.019 10.792 144 H MET 20 HN MET 20 -11.817 -1.398 9.424 145 HA MET 20 HA MET 20 -9.514 -1.058 7.615 146 HB2 MET 20 2HB MET 20 -12.163 0.063 6.867 147 HB3 MET 20 3HB MET 20 -10.896 -0.603 5.845 148 HG2 MET 20 2HG MET 20 -11.712 -2.798 7.245 149 HG3 MET 20 3HG MET 20 -13.214 -1.897 7.053 150 HE1 MET 20 1HE MET 20 -10.627 -4.192 4.445 151 HE2 MET 20 2HE MET 20 -10.297 -2.596 3.769 152 HE3 MET 20 3HE MET 20 -10.052 -2.894 5.492 153 H THR 21 HN THR 21 -9.565 1.296 6.671 154 HA THR 21 HA THR 21 -10.186 3.214 8.808 155 HB THR 21 HB THR 21 -7.522 2.666 7.590 156 HG1 THR 21 1HG THR 21 -8.536 3.419 10.136 157 HG21 THR 21 1HG2 THR 21 -7.926 4.926 6.824 158 HG22 THR 21 2HG2 THR 21 -6.777 4.962 8.162 159 HG23 THR 21 3HG2 THR 21 -8.461 5.409 8.433 160 H THR 22 HN THR 22 -10.943 5.153 8.128 161 HA THR 22 HA THR 22 -11.844 5.408 5.451 162 HB THR 22 HB THR 22 -11.840 7.272 7.809 163 HG1 THR 22 1HG THR 22 -13.429 5.635 7.732 164 HG21 THR 22 1HG2 THR 22 -12.806 7.895 5.015 165 HG22 THR 22 2HG2 THR 22 -11.491 8.698 5.874 166 HG23 THR 22 3HG2 THR 22 -13.150 8.863 6.447 167 H ILE 23 HN ILE 23 -11.251 6.930 3.865 168 HA ILE 23 HA ILE 23 -8.460 7.322 3.576 169 HB ILE 23 HB ILE 23 -10.820 8.351 2.017 170 HG12 ILE 23 2HG1 ILE 23 -10.435 6.019 1.676 171 HG13 ILE 23 3HG1 ILE 23 -9.786 6.848 0.266 172 HG21 ILE 23 1HG2 ILE 23 -8.120 9.362 2.029 173 HG22 ILE 23 2HG2 ILE 23 -8.540 8.693 0.453 174 HG23 ILE 23 3HG2 ILE 23 -9.539 9.958 1.168 175 HD11 ILE 23 1HD1 ILE 23 -8.341 5.482 2.488 176 HD12 ILE 23 2HD1 ILE 23 -8.147 5.306 0.744 177 HD13 ILE 23 3HD1 ILE 23 -7.545 6.750 1.557 178 H ALA 24 HN ALA 24 -10.545 10.041 2.916 179 HA ALA 24 HA ALA 24 -10.217 11.647 5.111 180 HB1 ALA 24 1HB ALA 24 -8.226 13.056 3.942 181 HB2 ALA 24 2HB ALA 24 -7.984 11.874 5.228 182 HB3 ALA 24 3HB ALA 24 -7.741 11.407 3.545 183 H GLN 25 HN GLN 25 -9.683 11.804 1.595 184 HA GLN 25 HA GLN 25 -11.327 14.223 1.476 185 HB2 GLN 25 2HB GLN 25 -9.101 13.180 -0.058 186 HB3 GLN 25 3HB GLN 25 -10.448 13.607 -1.105 187 HG2 GLN 25 2HG GLN 25 -10.495 15.845 -0.020 188 HG3 GLN 25 3HG GLN 25 -9.029 15.396 0.851 189 HE21 GLN 25 1HE2 GLN 25 -7.403 16.469 -0.012 190 HE22 GLN 25 2HE2 GLN 25 -7.070 16.626 -1.699 191 H CYS 26 HN CYS 26 -11.056 11.047 -0.108 192 HA CYS 26 HA CYS 26 -13.678 11.342 -1.306 193 HB2 CYS 26 2HB CYS 26 -13.234 9.163 -2.323 194 HB3 CYS 26 3HB CYS 26 -11.867 10.247 -2.560 195 H GLN 27 HN GLN 27 -12.152 9.496 1.279 196 HA GLN 27 HA GLN 27 -13.120 8.621 3.176 197 HB2 GLN 27 2HB GLN 27 -15.861 8.895 1.989 198 HB3 GLN 27 3HB GLN 27 -15.379 8.924 3.681 199 HG2 GLN 27 2HG GLN 27 -14.123 11.086 2.296 200 HG3 GLN 27 3HG GLN 27 -15.857 11.102 1.975 201 HE21 GLN 27 1HE2 GLN 27 -13.385 11.688 4.253 202 HE22 GLN 27 2HE2 GLN 27 -14.393 12.197 5.561 203 H CYS 28 HN CYS 28 -12.116 7.056 1.172 204 HA CYS 28 HA CYS 28 -14.033 4.978 0.530 205 HB2 CYS 28 2HB CYS 28 -11.118 5.402 -0.099 206 HB3 CYS 28 3HB CYS 28 -11.929 3.882 -0.464 207 H ILE 29 HN ILE 29 -12.910 2.640 0.771 208 HA ILE 29 HA ILE 29 -12.176 2.394 3.616 209 HB ILE 29 HB ILE 29 -14.469 1.444 2.593 210 HG12 ILE 29 2HG1 ILE 29 -12.757 0.064 4.672 211 HG13 ILE 29 3HG1 ILE 29 -13.831 1.430 4.956 212 HG21 ILE 29 1HG2 ILE 29 -12.534 -0.854 2.328 213 HG22 ILE 29 2HG2 ILE 29 -14.283 -0.924 2.115 214 HG23 ILE 29 3HG2 ILE 29 -13.295 0.000 0.984 215 HD11 ILE 29 1HD1 ILE 29 -15.747 0.038 4.355 216 HD12 ILE 29 2HD1 ILE 29 -14.663 -1.330 4.098 217 HD13 ILE 29 3HD1 ILE 29 -14.839 -0.635 5.709 218 H PHE 30 HN PHE 30 -10.292 1.451 4.041 219 HA PHE 30 HA PHE 30 -9.207 -0.587 2.294 220 HB2 PHE 30 2HB PHE 30 -7.764 2.031 2.751 221 HB3 PHE 30 3HB PHE 30 -7.024 0.595 2.050 222 HD1 PHE 30 1HD PHE 30 -8.871 3.563 1.407 223 HD2 PHE 30 2HD PHE 30 -8.066 -0.339 -0.091 224 HE1 PHE 30 1HE PHE 30 -9.639 4.264 -0.824 225 HE2 PHE 30 2HE PHE 30 -8.831 0.357 -2.323 226 HZ PHE 30 HZ PHE 30 -9.618 2.660 -2.692 227 H CYS 31 HN CYS 31 -8.125 -2.078 3.428 228 HA CYS 31 HA CYS 31 -8.054 -1.993 6.239 229 HB2 CYS 31 2HB CYS 31 -7.010 -4.121 6.142 230 HB3 CYS 31 3HB CYS 31 -8.092 -4.055 4.755 231 H THR 32 HN THR 32 -6.596 -1.245 7.642 232 HA THR 32 HA THR 32 -4.713 0.589 7.234 233 HB THR 32 HB THR 32 -4.107 -1.665 9.141 234 HG1 THR 32 1HG THR 32 -6.290 -0.013 9.056 235 HG21 THR 32 1HG2 THR 32 -3.649 1.318 9.276 236 HG22 THR 32 2HG2 THR 32 -2.420 0.092 8.966 237 HG23 THR 32 3HG2 THR 32 -3.226 0.156 10.532 238 H LEU 33 HN LEU 33 -4.012 -2.901 7.112 239 HA LEU 33 HA LEU 33 -1.362 -2.986 6.645 240 HB2 LEU 33 2HB LEU 33 -3.647 -4.556 5.633 241 HB3 LEU 33 3HB LEU 33 -2.126 -4.755 4.766 242 HG LEU 33 HG LEU 33 -1.984 -4.995 7.706 243 HD11 LEU 33 1HD1 LEU 33 -2.899 -7.190 7.802 244 HD12 LEU 33 2HD1 LEU 33 -3.183 -7.213 6.062 245 HD13 LEU 33 3HD1 LEU 33 -4.124 -6.137 7.094 246 HD21 LEU 33 1HD2 LEU 33 -0.917 -6.794 5.545 247 HD22 LEU 33 2HD2 LEU 33 -0.347 -6.624 7.205 248 HD23 LEU 33 3HD2 LEU 33 -0.101 -5.314 6.049 249 H CYS 34 HN CYS 34 -3.609 -2.891 3.876 250 HA CYS 34 HA CYS 34 -1.660 -2.150 2.001 251 HB2 CYS 34 2HB CYS 34 -4.621 -1.563 1.828 252 HB3 CYS 34 3HB CYS 34 -3.491 -1.728 0.488 253 H LEU 35 HN LEU 35 -4.301 -0.106 3.265 254 HA LEU 35 HA LEU 35 -3.502 2.312 2.264 255 HB2 LEU 35 2HB LEU 35 -5.570 1.726 3.636 256 HB3 LEU 35 3HB LEU 35 -4.571 2.026 5.057 257 HG LEU 35 HG LEU 35 -4.294 4.339 4.429 258 HD11 LEU 35 1HD1 LEU 35 -5.706 3.488 1.924 259 HD12 LEU 35 2HD1 LEU 35 -4.179 4.353 2.099 260 HD13 LEU 35 3HD1 LEU 35 -5.700 5.170 2.457 261 HD21 LEU 35 1HD2 LEU 35 -6.320 3.644 5.686 262 HD22 LEU 35 2HD2 LEU 35 -7.199 3.574 4.158 263 HD23 LEU 35 3HD2 LEU 35 -6.548 5.110 4.733 264 H LYS 36 HN LYS 36 -1.938 0.438 4.661 265 HA LYS 36 HA LYS 36 -0.401 2.682 5.703 266 HB2 LYS 36 2HB LYS 36 -1.099 1.025 7.314 267 HB3 LYS 36 3HB LYS 36 -0.383 -0.267 6.360 268 HG2 LYS 36 2HG LYS 36 1.680 1.565 6.862 269 HG3 LYS 36 3HG LYS 36 0.808 1.365 8.384 270 HD2 LYS 36 2HD LYS 36 0.949 -1.169 7.832 271 HD3 LYS 36 3HD LYS 36 2.247 -0.682 6.740 272 HE2 LYS 36 2HE LYS 36 3.673 -0.282 8.427 273 HE3 LYS 36 3HE LYS 36 2.434 0.491 9.415 274 HZ1 LYS 36 1HZ LYS 36 3.526 -1.993 9.808 275 HZ2 LYS 36 2HZ LYS 36 1.988 -2.311 9.181 276 HZ3 LYS 36 3HZ LYS 36 2.154 -1.365 10.573 277 H GLN 37 HN GLN 37 0.598 -0.553 4.592 278 HA GLN 37 HA GLN 37 3.207 -0.042 4.022 279 HB2 GLN 37 2HB GLN 37 1.357 -2.087 3.407 280 HB3 GLN 37 3HB GLN 37 2.166 -1.673 1.901 281 HG2 GLN 37 2HG GLN 37 3.814 -3.005 2.534 282 HG3 GLN 37 3HG GLN 37 4.214 -1.804 3.762 283 HE21 GLN 37 1HE2 GLN 37 1.971 -4.499 3.220 284 HE22 GLN 37 2HE2 GLN 37 2.073 -5.132 4.825 285 H TYR 38 HN TYR 38 0.463 1.164 2.346 286 HA TYR 38 HA TYR 38 1.886 1.821 -0.079 287 HB2 TYR 38 2HB TYR 38 -0.265 1.639 -0.736 288 HB3 TYR 38 3HB TYR 38 -0.885 1.953 0.882 289 HD1 TYR 38 1HD TYR 38 -2.394 3.692 0.863 290 HD2 TYR 38 2HD TYR 38 1.077 3.978 -1.579 291 HE1 TYR 38 1HE TYR 38 -3.078 5.949 0.166 292 HE2 TYR 38 2HE TYR 38 0.404 6.236 -2.283 293 HH TYR 38 HH TYR 38 -2.672 7.644 -1.242 294 H VAL 39 HN VAL 39 0.316 3.744 2.485 295 HA VAL 39 HA VAL 39 1.552 6.178 1.634 296 HB VAL 39 HB VAL 39 0.579 7.182 3.620 297 HG11 VAL 39 1HG1 VAL 39 -1.587 5.332 2.793 298 HG12 VAL 39 2HG1 VAL 39 -1.576 7.094 2.891 299 HG13 VAL 39 3HG1 VAL 39 -0.799 6.279 1.533 300 HG21 VAL 39 1HG2 VAL 39 0.110 4.328 4.438 301 HG22 VAL 39 2HG2 VAL 39 0.949 5.602 5.324 302 HG23 VAL 39 3HG2 VAL 39 -0.804 5.668 5.133 303 H GLU 40 HN GLU 40 1.992 4.073 4.477 304 HA GLU 40 HA GLU 40 3.878 5.285 5.924 305 HB2 GLU 40 2HB GLU 40 2.987 2.761 5.869 306 HB3 GLU 40 3HB GLU 40 4.586 2.494 5.190 307 HG2 GLU 40 2HG GLU 40 4.606 4.177 7.568 308 HG3 GLU 40 3HG GLU 40 3.964 2.561 7.852 309 H LEU 41 HN LEU 41 4.360 3.998 2.712 310 HA LEU 41 HA LEU 41 7.221 4.363 2.765 311 HB2 LEU 41 2HB LEU 41 5.303 3.072 1.080 312 HB3 LEU 41 3HB LEU 41 6.304 4.147 0.105 313 HG LEU 41 HG LEU 41 8.282 2.976 0.679 314 HD11 LEU 41 1HD1 LEU 41 6.590 1.679 2.791 315 HD12 LEU 41 2HD1 LEU 41 8.096 2.578 2.978 316 HD13 LEU 41 3HD1 LEU 41 8.113 0.972 2.248 317 HD21 LEU 41 1HD2 LEU 41 7.811 0.722 -0.101 318 HD22 LEU 41 2HD2 LEU 41 6.881 1.904 -1.023 319 HD23 LEU 41 3HD2 LEU 41 6.094 0.947 0.234 320 H LEU 42 HN LEU 42 4.445 5.976 1.254 321 HA LEU 42 HA LEU 42 6.090 8.046 0.109 322 HB2 LEU 42 2HB LEU 42 3.116 7.649 0.313 323 HB3 LEU 42 3HB LEU 42 3.841 9.080 -0.418 324 HG LEU 42 HG LEU 42 4.513 6.338 -1.425 325 HD11 LEU 42 1HD1 LEU 42 2.638 7.287 -3.176 326 HD12 LEU 42 2HD1 LEU 42 1.947 7.713 -1.611 327 HD13 LEU 42 3HD1 LEU 42 2.367 6.035 -1.962 328 HD21 LEU 42 1HD2 LEU 42 5.670 7.463 -2.948 329 HD22 LEU 42 2HD2 LEU 42 5.327 8.944 -2.053 330 HD23 LEU 42 3HD2 LEU 42 4.261 8.439 -3.366 331 H ILE 43 HN ILE 43 3.361 8.187 2.406 332 HA ILE 43 HA ILE 43 3.511 10.712 3.307 333 HB ILE 43 HB ILE 43 2.416 8.338 4.317 334 HG12 ILE 43 2HG1 ILE 43 1.336 10.156 5.931 335 HG13 ILE 43 3HG1 ILE 43 2.146 11.265 4.830 336 HG21 ILE 43 1HG2 ILE 43 3.918 9.806 6.482 337 HG22 ILE 43 2HG2 ILE 43 2.808 8.454 6.705 338 HG23 ILE 43 3HG2 ILE 43 4.334 8.211 5.855 339 HD11 ILE 43 1HD1 ILE 43 0.630 9.168 3.484 340 HD12 ILE 43 2HD1 ILE 43 -0.349 10.240 4.485 341 HD13 ILE 43 3HD1 ILE 43 0.664 10.910 3.206 342 H LYS 44 HN LYS 44 5.888 8.246 3.845 343 HA LYS 44 HA LYS 44 7.255 9.574 5.980 344 HB2 LYS 44 2HB LYS 44 7.447 7.076 4.595 345 HB3 LYS 44 3HB LYS 44 9.032 7.840 4.608 346 HG2 LYS 44 2HG LYS 44 8.649 6.327 6.520 347 HG3 LYS 44 3HG LYS 44 9.008 7.987 7.002 348 HD2 LYS 44 2HD LYS 44 7.197 7.775 8.313 349 HD3 LYS 44 3HD LYS 44 6.288 8.039 6.823 350 HE2 LYS 44 2HE LYS 44 5.387 6.020 7.009 351 HE3 LYS 44 3HE LYS 44 6.992 5.293 6.945 352 HZ1 LYS 44 1HZ LYS 44 6.932 6.102 9.471 353 HZ2 LYS 44 2HZ LYS 44 6.405 4.572 8.981 354 HZ3 LYS 44 3HZ LYS 44 5.281 5.811 9.236 355 H GLU 45 HN GLU 45 7.738 9.310 2.479 356 HA GLU 45 HA GLU 45 10.055 11.037 2.548 357 HB2 GLU 45 2HB GLU 45 10.073 9.290 0.910 358 HB3 GLU 45 3HB GLU 45 8.502 9.777 0.289 359 HG2 GLU 45 2HG GLU 45 10.129 10.508 -1.264 360 HG3 GLU 45 3HG GLU 45 9.540 11.937 -0.416 361 H GLY 46 HN GLY 46 6.808 11.224 1.076 362 HA2 GLY 46 1HA GLY 46 5.478 13.028 0.580 363 HA3 GLY 46 2HA GLY 46 6.330 13.877 1.861 364 H LEU 47 HN LEU 47 7.380 12.611 -1.297 365 HA LEU 47 HA LEU 47 8.945 14.954 -1.807 366 HB2 LEU 47 2HB LEU 47 9.431 13.902 -3.959 367 HB3 LEU 47 3HB LEU 47 9.676 12.795 -2.610 368 HG LEU 47 HG LEU 47 7.085 12.721 -4.088 369 HD11 LEU 47 1HD1 LEU 47 9.741 11.903 -5.147 370 HD12 LEU 47 2HD1 LEU 47 8.337 12.551 -5.992 371 HD13 LEU 47 3HD1 LEU 47 8.348 10.869 -5.464 372 HD21 LEU 47 1HD2 LEU 47 8.432 11.192 -2.090 373 HD22 LEU 47 2HD2 LEU 47 8.175 10.182 -3.514 374 HD23 LEU 47 3HD2 LEU 47 6.806 10.983 -2.740 375 H GLU 48 HN GLU 48 5.768 13.820 -2.701 376 HA GLU 48 HA GLU 48 4.588 16.184 -3.241 377 HB2 GLU 48 2HB GLU 48 4.694 16.159 -5.846 378 HB3 GLU 48 3HB GLU 48 5.993 16.911 -4.931 379 HG2 GLU 48 2HG GLU 48 7.513 15.440 -5.642 380 HG3 GLU 48 3HG GLU 48 6.415 14.072 -5.463 381 H THR 49 HN THR 49 4.950 12.851 -3.976 382 HA THR 49 HA THR 49 2.920 12.083 -5.549 383 HB THR 49 HB THR 49 3.471 10.844 -2.846 384 HG1 THR 49 1HG THR 49 4.525 9.954 -5.313 385 HG21 THR 49 1HG2 THR 49 2.767 8.975 -4.892 386 HG22 THR 49 2HG2 THR 49 1.523 10.222 -4.798 387 HG23 THR 49 3HG2 THR 49 1.955 9.297 -3.360 388 H ALA 50 HN ALA 50 2.578 13.612 -2.445 389 HA ALA 50 HA ALA 50 0.778 14.427 -1.316 390 HB1 ALA 50 1HB ALA 50 -0.643 14.081 -3.953 391 HB2 ALA 50 2HB ALA 50 -1.184 15.072 -2.598 392 HB3 ALA 50 3HB ALA 50 0.290 15.497 -3.467 393 H ILE 51 HN ILE 51 1.133 11.367 -2.071 394 HA ILE 51 HA ILE 51 -0.036 9.400 -1.777 395 HB ILE 51 HB ILE 51 -0.692 10.918 0.749 396 HG12 ILE 51 2HG1 ILE 51 1.250 9.762 1.679 397 HG13 ILE 51 3HG1 ILE 51 1.517 8.938 0.146 398 HG21 ILE 51 1HG2 ILE 51 -2.116 8.880 0.242 399 HG22 ILE 51 2HG2 ILE 51 -0.641 7.932 0.419 400 HG23 ILE 51 3HG2 ILE 51 -1.251 8.874 1.779 401 HD11 ILE 51 1HD1 ILE 51 1.467 11.896 0.109 402 HD12 ILE 51 2HD1 ILE 51 2.859 11.106 0.849 403 HD13 ILE 51 3HD1 ILE 51 2.438 10.762 -0.828 404 H SER 52 HN SER 52 -1.596 9.617 -3.452 405 HA SER 52 HA SER 52 -4.218 10.661 -2.693 406 HB2 SER 52 2HB SER 52 -4.056 11.388 -4.825 407 HB3 SER 52 3HB SER 52 -2.782 10.233 -5.215 408 HG SER 52 HG SER 52 -4.338 8.677 -5.588 409 H CYS 53 HN CYS 53 -6.145 9.407 -3.039 410 HA CYS 53 HA CYS 53 -6.404 7.086 -1.761 411 HB2 CYS 53 2HB CYS 53 -8.310 8.279 -2.731 412 HB3 CYS 53 3HB CYS 53 -7.833 7.757 -4.343 413 HA PRO 54 HA PRO 54 -4.022 4.021 -3.863 414 HB2 PRO 54 2HB PRO 54 -5.082 1.834 -2.652 415 HB3 PRO 54 3HB PRO 54 -3.950 2.925 -1.845 416 HG2 PRO 54 2HG PRO 54 -6.935 2.811 -1.650 417 HG3 PRO 54 3HG PRO 54 -5.737 3.027 -0.361 418 HD2 PRO 54 2HD PRO 54 -7.128 5.095 -1.416 419 HD3 PRO 54 3HD PRO 54 -5.469 5.270 -0.811 420 H ASP 55 HN ASP 55 -7.191 4.697 -4.434 421 HA ASP 55 HA ASP 55 -7.516 2.440 -6.299 422 HB2 ASP 55 2HB ASP 55 -9.299 2.490 -4.665 423 HB3 ASP 55 3HB ASP 55 -9.601 4.196 -4.989 424 H ALA 56 HN ALA 56 -6.416 3.303 -8.043 425 HA ALA 56 HA ALA 56 -6.592 5.914 -9.003 426 HB1 ALA 56 1HB ALA 56 -4.902 4.932 -10.103 427 HB2 ALA 56 2HB ALA 56 -5.653 3.337 -10.037 428 HB3 ALA 56 3HB ALA 56 -6.147 4.492 -11.274 429 H ALA 57 HN ALA 57 -8.973 3.535 -8.927 430 HA ALA 57 HA ALA 57 -10.448 4.740 -11.168 431 HB1 ALA 57 1HB ALA 57 -11.959 2.698 -10.805 432 HB2 ALA 57 2HB ALA 57 -10.368 2.436 -11.520 433 HB3 ALA 57 3HB ALA 57 -10.641 2.071 -9.816 434 H CYS 58 HN CYS 58 -10.109 5.797 -8.366 435 HA CYS 58 HA CYS 58 -12.666 5.541 -7.100 436 HB2 CYS 58 2HB CYS 58 -10.496 6.048 -5.913 437 HB3 CYS 58 3HB CYS 58 -10.578 7.667 -6.601 438 HA PRO 59 HA PRO 59 -14.834 8.536 -9.519 439 HB2 PRO 59 2HB PRO 59 -16.957 8.865 -7.859 440 HB3 PRO 59 3HB PRO 59 -16.744 7.434 -8.875 441 HG2 PRO 59 2HG PRO 59 -16.132 7.802 -5.968 442 HG3 PRO 59 3HG PRO 59 -16.900 6.428 -6.784 443 HD2 PRO 59 2HD PRO 59 -14.294 6.416 -6.054 444 HD3 PRO 59 3HD PRO 59 -14.887 5.560 -7.491 445 H LYS 60 HN LYS 60 -13.450 9.078 -6.468 446 HA LYS 60 HA LYS 60 -13.930 11.974 -6.729 447 HB2 LYS 60 2HB LYS 60 -13.951 10.230 -4.288 448 HB3 LYS 60 3HB LYS 60 -13.523 11.931 -4.154 449 HG2 LYS 60 2HG LYS 60 -16.003 11.313 -5.632 450 HG3 LYS 60 3HG LYS 60 -16.020 11.016 -3.892 451 HD2 LYS 60 2HD LYS 60 -14.819 13.477 -4.067 452 HD3 LYS 60 3HD LYS 60 -16.009 13.538 -5.369 453 HE2 LYS 60 2HE LYS 60 -17.769 13.482 -3.944 454 HE3 LYS 60 3HE LYS 60 -16.940 12.437 -2.791 455 HZ1 LYS 60 1HZ LYS 60 -16.966 15.348 -2.976 456 HZ2 LYS 60 2HZ LYS 60 -15.515 14.628 -2.488 457 HZ3 LYS 60 3HZ LYS 60 -16.934 14.350 -1.609 458 H GLN 61 HN GLN 61 -11.692 9.392 -6.238 459 HA GLN 61 HA GLN 61 -9.431 9.334 -5.840 460 HB2 GLN 61 2HB GLN 61 -9.853 11.425 -7.950 461 HB3 GLN 61 3HB GLN 61 -8.229 11.042 -7.393 462 HG2 GLN 61 2HG GLN 61 -9.295 8.566 -7.889 463 HG3 GLN 61 3HG GLN 61 -10.003 9.561 -9.161 464 HE21 GLN 61 1HE2 GLN 61 -7.987 11.350 -9.632 465 HE22 GLN 61 2HE2 GLN 61 -6.614 10.523 -10.277 466 H GLY 62 HN GLY 62 -10.240 10.342 -3.630 467 HA2 GLY 62 1HA GLY 62 -9.420 13.045 -3.126 468 HA3 GLY 62 2HA GLY 62 -9.909 11.863 -1.923 469 H HIS 63 HN HIS 63 -7.821 13.621 -1.465 470 HA HIS 63 HA HIS 63 -5.411 11.964 -1.762 471 HB2 HIS 63 2HB HIS 63 -5.895 14.884 -1.587 472 HB3 HIS 63 3HB HIS 63 -4.443 14.282 -0.792 473 HD1 HIS 63 1HD HIS 63 -5.353 15.710 -3.839 474 HD2 HIS 63 2HD HIS 63 -3.069 12.387 -2.836 475 HE1 HIS 63 1HE HIS 63 -3.909 15.255 -5.848 476 H LEU 64 HN LEU 64 -3.849 12.181 0.139 477 HA LEU 64 HA LEU 64 -5.369 11.974 2.655 478 HB2 LEU 64 2HB LEU 64 -3.024 10.397 1.638 479 HB3 LEU 64 3HB LEU 64 -3.449 10.441 3.348 480 HG LEU 64 HG LEU 64 -5.533 9.639 1.373 481 HD11 LEU 64 1HD1 LEU 64 -3.079 8.107 2.049 482 HD12 LEU 64 2HD1 LEU 64 -4.018 8.142 0.557 483 HD13 LEU 64 3HD1 LEU 64 -4.609 7.236 1.949 484 HD21 LEU 64 1HD2 LEU 64 -5.097 9.570 4.237 485 HD22 LEU 64 2HD2 LEU 64 -5.549 7.990 3.598 486 HD23 LEU 64 3HD2 LEU 64 -6.590 9.386 3.316 487 H GLN 65 HN GLN 65 -4.180 12.517 4.613 488 HA GLN 65 HA GLN 65 -2.523 14.863 4.191 489 HB2 GLN 65 2HB GLN 65 -2.881 14.155 6.966 490 HB3 GLN 65 3HB GLN 65 -3.426 15.588 6.102 491 HG2 GLN 65 2HG GLN 65 -5.404 14.700 6.855 492 HG3 GLN 65 3HG GLN 65 -5.305 14.037 5.224 493 HE21 GLN 65 1HE2 GLN 65 -3.090 12.241 6.239 494 HE22 GLN 65 2HE2 GLN 65 -3.925 10.950 7.026 495 H GLU 66 HN GLU 66 -0.626 15.174 5.706 496 HA GLU 66 HA GLU 66 1.094 12.833 5.476 497 HB2 GLU 66 2HB GLU 66 1.494 15.752 5.645 498 HB3 GLU 66 3HB GLU 66 2.708 14.781 6.467 499 HG2 GLU 66 2HG GLU 66 2.744 13.456 4.215 500 HG3 GLU 66 3HG GLU 66 2.056 14.945 3.568 501 H ASN 67 HN ASN 67 0.154 15.201 7.960 502 HA ASN 67 HA ASN 67 1.469 13.866 10.087 503 HB2 ASN 67 2HB ASN 67 1.066 15.977 10.803 504 HB3 ASN 67 3HB ASN 67 -0.364 16.152 9.789 505 HD21 ASN 67 1HD2 ASN 67 -1.870 16.848 11.154 506 HD22 ASN 67 2HD2 ASN 67 -2.338 16.051 12.614 507 H GLU 68 HN GLU 68 -2.015 14.147 9.359 508 HA GLU 68 HA GLU 68 -3.028 12.447 11.243 509 HB2 GLU 68 2HB GLU 68 -3.906 13.483 8.685 510 HB3 GLU 68 3HB GLU 68 -4.505 11.850 8.942 511 HG2 GLU 68 2HG GLU 68 -4.773 13.775 11.176 512 HG3 GLU 68 3HG GLU 68 -5.817 13.992 9.773 513 H ILE 69 HN ILE 69 -1.916 11.514 7.991 514 HA ILE 69 HA ILE 69 -2.347 8.752 8.307 515 HB ILE 69 HB ILE 69 -0.582 10.337 6.466 516 HG12 ILE 69 2HG1 ILE 69 -3.278 9.229 6.425 517 HG13 ILE 69 3HG1 ILE 69 -2.558 10.469 5.402 518 HG21 ILE 69 1HG2 ILE 69 -0.844 7.336 6.578 519 HG22 ILE 69 2HG2 ILE 69 -0.090 8.240 5.266 520 HG23 ILE 69 3HG2 ILE 69 0.615 8.278 6.880 521 HD11 ILE 69 1HD1 ILE 69 -2.188 7.508 5.023 522 HD12 ILE 69 2HD1 ILE 69 -3.350 8.506 4.149 523 HD13 ILE 69 3HD1 ILE 69 -1.621 8.793 3.957 524 H GLU 70 HN GLU 70 0.840 10.338 8.112 525 HA GLU 70 HA GLU 70 2.376 8.286 9.073 526 HB2 GLU 70 2HB GLU 70 4.093 9.810 9.307 527 HB3 GLU 70 3HB GLU 70 3.014 10.681 8.227 528 HG2 GLU 70 2HG GLU 70 2.087 11.872 10.191 529 HG3 GLU 70 3HG GLU 70 3.292 11.069 11.197 530 H CYS 71 HN CYS 71 0.125 10.200 10.812 531 HA CYS 71 HA CYS 71 1.227 9.819 13.419 532 HB2 CYS 71 2HB CYS 71 -0.197 11.603 13.486 533 HB3 CYS 71 3HB CYS 71 -1.284 10.918 12.284 534 HG CYS 71 HG CYS 71 -2.334 11.347 15.022 535 H MET 72 HN MET 72 -1.180 8.144 11.460 536 HA MET 72 HA MET 72 -1.928 6.322 13.542 537 HB2 MET 72 2HB MET 72 -3.489 5.524 12.079 538 HB3 MET 72 3HB MET 72 -3.182 7.080 11.319 539 HG2 MET 72 2HG MET 72 -1.315 5.610 10.087 540 HG3 MET 72 3HG MET 72 -2.510 4.358 10.413 541 HE1 MET 72 1HE MET 72 -1.628 4.850 7.642 542 HE2 MET 72 2HE MET 72 -3.113 3.902 7.726 543 HE3 MET 72 3HE MET 72 -3.003 5.272 6.620 544 H VAL 73 HN VAL 73 0.911 6.631 12.092 545 HA VAL 73 HA VAL 73 1.482 3.755 12.265 546 HB VAL 73 HB VAL 73 3.251 4.420 10.364 547 HG11 VAL 73 1HG1 VAL 73 0.458 3.735 9.526 548 HG12 VAL 73 2HG1 VAL 73 1.991 3.124 8.900 549 HG13 VAL 73 3HG1 VAL 73 1.417 2.611 10.487 550 HG21 VAL 73 1HG2 VAL 73 1.805 6.708 10.412 551 HG22 VAL 73 2HG2 VAL 73 2.676 6.116 8.998 552 HG23 VAL 73 3HG2 VAL 73 0.949 5.801 9.166 553 H ALA 74 HN ALA 74 3.402 6.635 11.441 554 HA ALA 74 HA ALA 74 5.413 5.841 13.382 555 HB1 ALA 74 1HB ALA 74 5.324 7.962 11.255 556 HB2 ALA 74 2HB ALA 74 6.641 7.846 12.423 557 HB3 ALA 74 3HB ALA 74 6.323 6.510 11.316 558 H ALA 75 HN ALA 75 3.068 6.539 14.645 559 HA ALA 75 HA ALA 75 2.536 9.084 15.407 560 HB1 ALA 75 1HB ALA 75 1.435 8.216 17.197 561 HB2 ALA 75 2HB ALA 75 1.688 6.726 16.287 562 HB3 ALA 75 3HB ALA 75 2.758 7.134 17.629 Start of MODEL 9 1 H1 ALA 1 HN ALA 1 -29.412 -12.382 3.136 2 HA ALA 1 HA ALA 1 -27.718 -10.110 2.449 3 HB1 ALA 1 1HB ALA 1 -29.118 -8.861 3.665 4 HB2 ALA 1 2HB ALA 1 -30.181 -10.269 3.629 5 HB3 ALA 1 3HB ALA 1 -29.117 -10.003 5.010 6 H LEU 2 HN LEU 2 -27.242 -9.266 5.141 7 HA LEU 2 HA LEU 2 -25.616 -9.382 6.726 8 HB2 LEU 2 2HB LEU 2 -27.098 -11.608 7.013 9 HB3 LEU 2 3HB LEU 2 -25.525 -12.334 6.690 10 HG LEU 2 HG LEU 2 -24.679 -10.814 8.597 11 HD11 LEU 2 1HD1 LEU 2 -26.429 -9.352 9.022 12 HD12 LEU 2 2HD1 LEU 2 -26.591 -10.548 10.310 13 HD13 LEU 2 3HD1 LEU 2 -27.651 -10.619 8.902 14 HD21 LEU 2 1HD2 LEU 2 -26.294 -13.309 8.791 15 HD22 LEU 2 2HD2 LEU 2 -25.771 -12.519 10.279 16 HD23 LEU 2 3HD2 LEU 2 -24.576 -13.047 9.093 17 H ASP 3 HN ASP 3 -24.438 -8.778 4.531 18 HA ASP 3 HA ASP 3 -22.043 -10.474 4.450 19 HB2 ASP 3 2HB ASP 3 -22.905 -9.185 1.907 20 HB3 ASP 3 3HB ASP 3 -22.007 -10.678 2.163 21 HA PRO 4 HA PRO 4 -21.269 -5.855 4.986 22 HB2 PRO 4 2HB PRO 4 -20.086 -6.025 7.423 23 HB3 PRO 4 3HB PRO 4 -21.828 -5.817 7.215 24 HG2 PRO 4 2HG PRO 4 -20.274 -8.311 7.782 25 HG3 PRO 4 3HG PRO 4 -21.803 -7.760 8.491 26 HD2 PRO 4 2HD PRO 4 -21.695 -9.626 6.533 27 HD3 PRO 4 3HD PRO 4 -23.045 -8.485 6.690 28 H LEU 5 HN LEU 5 -19.600 -8.742 4.699 29 HA LEU 5 HA LEU 5 -16.932 -7.702 5.030 30 HB2 LEU 5 2HB LEU 5 -17.967 -10.292 3.893 31 HB3 LEU 5 3HB LEU 5 -16.257 -9.905 4.072 32 HG LEU 5 HG LEU 5 -16.255 -10.342 6.286 33 HD11 LEU 5 1HD1 LEU 5 -19.137 -9.486 6.503 34 HD12 LEU 5 2HD1 LEU 5 -17.749 -8.432 6.770 35 HD13 LEU 5 3HD1 LEU 5 -18.022 -9.813 7.831 36 HD21 LEU 5 1HD2 LEU 5 -17.420 -12.278 6.751 37 HD22 LEU 5 2HD2 LEU 5 -17.457 -12.250 4.987 38 HD23 LEU 5 3HD2 LEU 5 -18.871 -11.735 5.909 39 H VAL 6 HN VAL 6 -15.380 -8.301 3.082 40 HA VAL 6 HA VAL 6 -14.654 -7.809 0.980 41 HB VAL 6 HB VAL 6 -17.526 -7.711 0.081 42 HG11 VAL 6 1HG1 VAL 6 -16.304 -7.101 -1.746 43 HG12 VAL 6 2HG1 VAL 6 -14.871 -7.990 -1.224 44 HG13 VAL 6 3HG1 VAL 6 -16.239 -8.854 -1.930 45 HG21 VAL 6 1HG2 VAL 6 -17.797 -9.854 0.589 46 HG22 VAL 6 2HG2 VAL 6 -16.410 -10.265 -0.419 47 HG23 VAL 6 3HG2 VAL 6 -16.180 -9.909 1.292 48 H SER 7 HN SER 7 -13.791 -5.822 1.065 49 HA SER 7 HA SER 7 -15.397 -3.588 0.163 50 HB2 SER 7 2HB SER 7 -13.843 -2.836 2.542 51 HB3 SER 7 3HB SER 7 -15.477 -2.372 2.068 52 HG SER 7 HG SER 7 -14.681 -4.796 3.311 53 H CYS 8 HN CYS 8 -12.251 -4.508 1.550 54 HA CYS 8 HA CYS 8 -10.765 -2.479 0.276 55 HB2 CYS 8 2HB CYS 8 -10.054 -3.925 2.250 56 HB3 CYS 8 3HB CYS 8 -9.688 -5.183 1.074 57 H LYS 9 HN LYS 9 -9.322 -2.614 -1.503 58 HA LYS 9 HA LYS 9 -9.792 -4.826 -3.373 59 HB2 LYS 9 2HB LYS 9 -9.707 -1.978 -4.336 60 HB3 LYS 9 3HB LYS 9 -10.256 -3.410 -5.198 61 HG2 LYS 9 2HG LYS 9 -12.228 -3.541 -3.838 62 HG3 LYS 9 3HG LYS 9 -11.654 -2.227 -2.808 63 HD2 LYS 9 2HD LYS 9 -11.554 -1.114 -5.316 64 HD3 LYS 9 3HD LYS 9 -12.992 -2.134 -5.404 65 HE2 LYS 9 2HE LYS 9 -12.478 -0.192 -3.161 66 HE3 LYS 9 3HE LYS 9 -13.363 0.239 -4.624 67 HZ1 LYS 9 1HZ LYS 9 -14.491 -2.109 -3.709 68 HZ2 LYS 9 2HZ LYS 9 -15.167 -0.560 -3.648 69 HZ3 LYS 9 3HZ LYS 9 -14.281 -1.148 -2.332 70 H LEU 10 HN LEU 10 -7.594 -3.450 -1.581 71 HA LEU 10 HA LEU 10 -5.518 -3.065 -3.590 72 HB2 LEU 10 2HB LEU 10 -5.670 -2.655 -0.625 73 HB3 LEU 10 3HB LEU 10 -4.119 -2.662 -1.462 74 HG LEU 10 HG LEU 10 -6.315 -0.816 -2.327 75 HD11 LEU 10 1HD1 LEU 10 -5.673 0.838 -0.797 76 HD12 LEU 10 2HD1 LEU 10 -4.237 -0.057 -0.299 77 HD13 LEU 10 3HD1 LEU 10 -5.838 -0.629 0.170 78 HD21 LEU 10 1HD2 LEU 10 -3.740 0.313 -2.470 79 HD22 LEU 10 2HD2 LEU 10 -4.768 -0.219 -3.799 80 HD23 LEU 10 3HD2 LEU 10 -3.607 -1.336 -3.080 81 H CYS 11 HN CYS 11 -6.586 -5.408 -1.253 82 HA CYS 11 HA CYS 11 -4.360 -7.160 -2.057 83 HB2 CYS 11 2HB CYS 11 -4.457 -8.183 0.198 84 HB3 CYS 11 3HB CYS 11 -4.003 -6.483 0.247 85 H LEU 12 HN LEU 12 -7.542 -6.652 -2.382 86 HA LEU 12 HA LEU 12 -9.348 -7.918 -2.938 87 HB2 LEU 12 2HB LEU 12 -7.143 -9.862 -3.591 88 HB3 LEU 12 3HB LEU 12 -8.838 -10.132 -3.997 89 HG LEU 12 HG LEU 12 -7.001 -8.007 -5.091 90 HD11 LEU 12 1HD1 LEU 12 -7.429 -9.089 -7.212 91 HD12 LEU 12 2HD1 LEU 12 -8.514 -10.242 -6.435 92 HD13 LEU 12 3HD1 LEU 12 -6.792 -10.259 -6.056 93 HD21 LEU 12 1HD2 LEU 12 -9.983 -8.324 -5.334 94 HD22 LEU 12 2HD2 LEU 12 -9.018 -7.416 -6.498 95 HD23 LEU 12 3HD2 LEU 12 -9.072 -6.907 -4.809 96 H GLY 13 HN GLY 13 -9.333 -7.809 -0.366 97 HA2 GLY 13 1HA GLY 13 -9.651 -10.597 0.566 98 HA3 GLY 13 2HA GLY 13 -9.038 -9.316 1.601 99 H GLU 14 HN GLU 14 -10.454 -8.359 2.901 100 HA GLU 14 HA GLU 14 -13.065 -7.611 2.178 101 HB2 GLU 14 2HB GLU 14 -13.949 -9.343 4.100 102 HB3 GLU 14 3HB GLU 14 -14.109 -9.593 2.367 103 HG2 GLU 14 2HG GLU 14 -12.360 -11.100 2.286 104 HG3 GLU 14 3HG GLU 14 -11.657 -10.519 3.794 105 H TYR 15 HN TYR 15 -12.003 -9.075 5.233 106 HA TYR 15 HA TYR 15 -11.766 -8.221 7.327 107 HB2 TYR 15 2HB TYR 15 -11.084 -5.573 6.068 108 HB3 TYR 15 3HB TYR 15 -10.479 -6.259 7.571 109 HD1 TYR 15 1HD TYR 15 -10.210 -6.329 3.910 110 HD2 TYR 15 2HD TYR 15 -8.663 -7.848 7.571 111 HE1 TYR 15 1HE TYR 15 -8.250 -7.208 2.710 112 HE2 TYR 15 2HE TYR 15 -6.699 -8.730 6.381 113 HH TYR 15 HH TYR 15 -6.035 -9.382 4.155 114 HA PRO 16 HA PRO 16 -15.551 -6.288 8.432 115 HB2 PRO 16 2HB PRO 16 -14.933 -5.351 10.904 116 HB3 PRO 16 3HB PRO 16 -15.178 -7.067 10.560 117 HG2 PRO 16 2HG PRO 16 -12.620 -5.533 10.815 118 HG3 PRO 16 3HG PRO 16 -13.032 -7.135 11.454 119 HD2 PRO 16 2HD PRO 16 -11.559 -6.797 9.207 120 HD3 PRO 16 3HD PRO 16 -12.653 -8.177 9.433 121 H VAL 17 HN VAL 17 -16.043 -4.096 9.943 122 HA VAL 17 HA VAL 17 -14.975 -1.929 8.272 123 HB VAL 17 HB VAL 17 -16.939 -0.765 8.547 124 HG11 VAL 17 1HG1 VAL 17 -18.608 -2.169 7.852 125 HG12 VAL 17 2HG1 VAL 17 -17.207 -3.217 7.620 126 HG13 VAL 17 3HG1 VAL 17 -18.221 -3.402 9.052 127 HG21 VAL 17 1HG2 VAL 17 -17.087 -0.497 10.863 128 HG22 VAL 17 2HG2 VAL 17 -18.567 -1.355 10.439 129 HG23 VAL 17 3HG2 VAL 17 -17.213 -2.233 11.150 130 H GLU 18 HN GLU 18 -14.365 -3.293 11.177 131 HA GLU 18 HA GLU 18 -13.852 -0.754 12.558 132 HB2 GLU 18 2HB GLU 18 -13.785 -3.590 13.604 133 HB3 GLU 18 3HB GLU 18 -13.493 -2.147 14.565 134 HG2 GLU 18 2HG GLU 18 -15.675 -1.655 14.734 135 HG3 GLU 18 3HG GLU 18 -16.028 -2.165 13.085 136 H GLN 19 HN GLN 19 -12.302 -3.193 10.781 137 HA GLN 19 HA GLN 19 -9.684 -2.625 11.962 138 HB2 GLN 19 2HB GLN 19 -10.817 -4.822 10.323 139 HB3 GLN 19 3HB GLN 19 -9.123 -4.433 10.054 140 HG2 GLN 19 2HG GLN 19 -8.527 -5.513 11.886 141 HG3 GLN 19 3HG GLN 19 -9.651 -4.569 12.864 142 HE21 GLN 19 1HE2 GLN 19 -9.211 -7.485 11.007 143 HE22 GLN 19 2HE2 GLN 19 -10.576 -8.331 11.641 144 H MET 20 HN MET 20 -11.636 -1.441 9.563 145 HA MET 20 HA MET 20 -9.459 -0.820 7.716 146 HB2 MET 20 2HB MET 20 -12.203 0.230 7.270 147 HB3 MET 20 3HB MET 20 -11.045 -0.416 6.115 148 HG2 MET 20 2HG MET 20 -11.546 -2.670 7.360 149 HG3 MET 20 3HG MET 20 -13.031 -1.836 7.811 150 HE1 MET 20 1HE MET 20 -11.514 -3.663 4.167 151 HE2 MET 20 2HE MET 20 -11.385 -1.967 3.700 152 HE3 MET 20 3HE MET 20 -10.596 -2.539 5.170 153 H THR 21 HN THR 21 -9.594 1.506 6.794 154 HA THR 21 HA THR 21 -10.156 3.467 8.895 155 HB THR 21 HB THR 21 -7.480 3.031 7.590 156 HG1 THR 21 1HG THR 21 -8.491 3.171 10.228 157 HG21 THR 21 1HG2 THR 21 -6.761 5.197 8.443 158 HG22 THR 21 2HG2 THR 21 -8.390 5.523 9.033 159 HG23 THR 21 3HG2 THR 21 -8.088 5.400 7.299 160 H THR 22 HN THR 22 -11.175 5.191 8.110 161 HA THR 22 HA THR 22 -11.874 5.438 5.403 162 HB THR 22 HB THR 22 -11.945 7.572 7.546 163 HG1 THR 22 1HG THR 22 -13.235 5.891 8.198 164 HG21 THR 22 1HG2 THR 22 -13.896 8.357 6.041 165 HG22 THR 22 2HG2 THR 22 -13.113 7.393 4.790 166 HG23 THR 22 3HG2 THR 22 -12.246 8.730 5.545 167 H ILE 23 HN ILE 23 -11.269 6.966 3.828 168 HA ILE 23 HA ILE 23 -8.490 7.473 3.660 169 HB ILE 23 HB ILE 23 -10.796 8.477 1.998 170 HG12 ILE 23 2HG1 ILE 23 -10.376 6.078 1.833 171 HG13 ILE 23 3HG1 ILE 23 -9.904 6.879 0.339 172 HG21 ILE 23 1HG2 ILE 23 -8.352 8.669 0.584 173 HG22 ILE 23 2HG2 ILE 23 -9.455 9.964 1.045 174 HG23 ILE 23 3HG2 ILE 23 -8.145 9.498 2.128 175 HD11 ILE 23 1HD1 ILE 23 -8.274 5.447 2.319 176 HD12 ILE 23 2HD1 ILE 23 -8.067 5.614 0.574 177 HD13 ILE 23 3HD1 ILE 23 -7.561 6.916 1.652 178 H ALA 24 HN ALA 24 -10.802 10.056 3.053 179 HA ALA 24 HA ALA 24 -10.598 11.690 5.191 180 HB1 ALA 24 1HB ALA 24 -8.027 11.586 3.748 181 HB2 ALA 24 2HB ALA 24 -8.601 13.191 4.205 182 HB3 ALA 24 3HB ALA 24 -8.368 11.953 5.439 183 H GLN 25 HN GLN 25 -10.200 11.585 1.697 184 HA GLN 25 HA GLN 25 -11.748 14.076 1.467 185 HB2 GLN 25 2HB GLN 25 -9.536 12.927 -0.050 186 HB3 GLN 25 3HB GLN 25 -10.871 13.427 -1.079 187 HG2 GLN 25 2HG GLN 25 -9.292 15.224 -0.873 188 HG3 GLN 25 3HG GLN 25 -10.796 15.662 -0.062 189 HE21 GLN 25 1HE2 GLN 25 -8.611 17.076 0.544 190 HE22 GLN 25 2HE2 GLN 25 -8.032 16.680 2.123 191 H CYS 26 HN CYS 26 -11.403 10.942 -0.208 192 HA CYS 26 HA CYS 26 -14.054 11.156 -1.323 193 HB2 CYS 26 2HB CYS 26 -13.562 8.912 -2.271 194 HB3 CYS 26 3HB CYS 26 -12.325 10.105 -2.653 195 H GLN 27 HN GLN 27 -12.508 9.522 1.353 196 HA GLN 27 HA GLN 27 -13.447 8.604 3.233 197 HB2 GLN 27 2HB GLN 27 -16.175 8.742 1.984 198 HB3 GLN 27 3HB GLN 27 -15.742 8.781 3.687 199 HG2 GLN 27 2HG GLN 27 -15.537 10.962 1.650 200 HG3 GLN 27 3HG GLN 27 -16.385 10.962 3.195 201 HE21 GLN 27 1HE2 GLN 27 -14.451 10.008 4.878 202 HE22 GLN 27 2HE2 GLN 27 -13.143 11.134 4.962 203 H CYS 28 HN CYS 28 -12.320 7.018 1.352 204 HA CYS 28 HA CYS 28 -14.127 4.845 0.698 205 HB2 CYS 28 2HB CYS 28 -11.211 5.375 0.155 206 HB3 CYS 28 3HB CYS 28 -11.945 3.811 -0.191 207 H ILE 29 HN ILE 29 -12.869 2.570 1.039 208 HA ILE 29 HA ILE 29 -12.048 2.441 3.861 209 HB ILE 29 HB ILE 29 -14.509 1.649 3.147 210 HG12 ILE 29 2HG1 ILE 29 -14.255 -0.061 5.088 211 HG13 ILE 29 3HG1 ILE 29 -12.603 0.537 5.187 212 HG21 ILE 29 1HG2 ILE 29 -13.690 0.009 1.531 213 HG22 ILE 29 2HG2 ILE 29 -12.802 -0.814 2.813 214 HG23 ILE 29 3HG2 ILE 29 -14.565 -0.772 2.848 215 HD11 ILE 29 1HD1 ILE 29 -13.948 2.863 5.190 216 HD12 ILE 29 2HD1 ILE 29 -15.128 1.812 5.973 217 HD13 ILE 29 3HD1 ILE 29 -13.507 1.976 6.649 218 H PHE 30 HN PHE 30 -10.218 1.360 4.172 219 HA PHE 30 HA PHE 30 -9.500 -0.885 2.489 220 HB2 PHE 30 2HB PHE 30 -7.763 1.589 2.618 221 HB3 PHE 30 3HB PHE 30 -7.281 0.052 1.907 222 HD1 PHE 30 1HD PHE 30 -8.993 3.160 1.394 223 HD2 PHE 30 2HD PHE 30 -8.544 -0.803 -0.094 224 HE1 PHE 30 1HE PHE 30 -9.954 3.863 -0.759 225 HE2 PHE 30 2HE PHE 30 -9.504 -0.106 -2.248 226 HZ PHE 30 HZ PHE 30 -10.210 2.230 -2.584 227 H CYS 31 HN CYS 31 -8.287 -2.358 3.552 228 HA CYS 31 HA CYS 31 -8.058 -2.276 6.325 229 HB2 CYS 31 2HB CYS 31 -6.864 -4.321 6.169 230 HB3 CYS 31 3HB CYS 31 -7.991 -4.318 4.816 231 H THR 32 HN THR 32 -6.646 -1.391 7.685 232 HA THR 32 HA THR 32 -4.868 0.548 7.169 233 HB THR 32 HB THR 32 -4.187 -1.544 9.229 234 HG1 THR 32 1HG THR 32 -6.210 0.461 9.296 235 HG21 THR 32 1HG2 THR 32 -2.550 0.179 9.114 236 HG22 THR 32 2HG2 THR 32 -3.557 0.536 10.517 237 HG23 THR 32 3HG2 THR 32 -3.784 1.435 9.017 238 H LEU 33 HN LEU 33 -3.946 -2.890 7.379 239 HA LEU 33 HA LEU 33 -1.283 -2.771 6.863 240 HB2 LEU 33 2HB LEU 33 -3.358 -4.715 5.909 241 HB3 LEU 33 3HB LEU 33 -1.650 -4.936 5.533 242 HG LEU 33 HG LEU 33 -2.104 -4.510 8.372 243 HD11 LEU 33 1HD1 LEU 33 -3.354 -6.951 7.122 244 HD12 LEU 33 2HD1 LEU 33 -4.246 -5.602 7.825 245 HD13 LEU 33 3HD1 LEU 33 -3.210 -6.601 8.845 246 HD21 LEU 33 1HD2 LEU 33 -0.071 -5.419 7.119 247 HD22 LEU 33 2HD2 LEU 33 -0.972 -6.931 7.006 248 HD23 LEU 33 3HD2 LEU 33 -0.567 -6.262 8.587 249 H CYS 34 HN CYS 34 -3.887 -2.521 4.485 250 HA CYS 34 HA CYS 34 -2.074 -2.298 2.262 251 HB2 CYS 34 2HB CYS 34 -5.045 -2.116 2.613 252 HB3 CYS 34 3HB CYS 34 -4.311 -1.527 1.126 253 H LEU 35 HN LEU 35 -4.479 -0.042 3.629 254 HA LEU 35 HA LEU 35 -3.602 2.224 2.263 255 HB2 LEU 35 2HB LEU 35 -5.684 1.730 3.830 256 HB3 LEU 35 3HB LEU 35 -4.662 2.529 5.022 257 HG LEU 35 HG LEU 35 -4.576 4.526 3.613 258 HD11 LEU 35 1HD1 LEU 35 -6.282 2.873 1.771 259 HD12 LEU 35 2HD1 LEU 35 -4.748 3.669 1.420 260 HD13 LEU 35 3HD1 LEU 35 -6.201 4.633 1.684 261 HD21 LEU 35 1HD2 LEU 35 -6.526 5.320 4.414 262 HD22 LEU 35 2HD2 LEU 35 -6.612 3.743 5.200 263 HD23 LEU 35 3HD2 LEU 35 -7.476 4.023 3.688 264 H LYS 36 HN LYS 36 -2.044 0.487 4.686 265 HA LYS 36 HA LYS 36 -0.540 2.767 5.706 266 HB2 LYS 36 2HB LYS 36 -1.221 1.109 7.332 267 HB3 LYS 36 3HB LYS 36 -0.464 -0.174 6.398 268 HG2 LYS 36 2HG LYS 36 1.419 1.921 7.053 269 HG3 LYS 36 3HG LYS 36 0.660 1.240 8.494 270 HD2 LYS 36 2HD LYS 36 1.196 -1.023 7.149 271 HD3 LYS 36 3HD LYS 36 2.502 -0.002 6.543 272 HE2 LYS 36 2HE LYS 36 2.982 0.562 8.973 273 HE3 LYS 36 3HE LYS 36 1.899 -0.765 9.389 274 HZ1 LYS 36 1HZ LYS 36 4.336 -1.314 9.268 275 HZ2 LYS 36 2HZ LYS 36 4.225 -1.118 7.592 276 HZ3 LYS 36 3HZ LYS 36 3.314 -2.315 8.364 277 H GLN 37 HN GLN 37 0.496 -0.468 4.633 278 HA GLN 37 HA GLN 37 3.096 0.065 4.046 279 HB2 GLN 37 2HB GLN 37 1.262 -2.004 3.454 280 HB3 GLN 37 3HB GLN 37 2.071 -1.599 1.946 281 HG2 GLN 37 2HG GLN 37 3.744 -2.890 2.590 282 HG3 GLN 37 3HG GLN 37 4.107 -1.695 3.833 283 HE21 GLN 37 1HE2 GLN 37 2.610 -4.750 3.140 284 HE22 GLN 37 2HE2 GLN 37 2.430 -5.265 4.779 285 H TYR 38 HN TYR 38 0.332 1.224 2.367 286 HA TYR 38 HA TYR 38 1.738 1.869 -0.070 287 HB2 TYR 38 2HB TYR 38 -0.409 1.682 -0.728 288 HB3 TYR 38 3HB TYR 38 -1.026 1.965 0.895 289 HD1 TYR 38 1HD TYR 38 -2.586 3.661 0.874 290 HD2 TYR 38 2HD TYR 38 0.910 4.071 -1.516 291 HE1 TYR 38 1HE TYR 38 -3.312 5.915 0.209 292 HE2 TYR 38 2HE TYR 38 0.195 6.327 -2.186 293 HH TYR 38 HH TYR 38 -1.485 7.810 -2.156 294 H VAL 39 HN VAL 39 0.203 3.784 2.518 295 HA VAL 39 HA VAL 39 1.430 6.221 1.625 296 HB VAL 39 HB VAL 39 0.422 7.255 3.578 297 HG11 VAL 39 1HG1 VAL 39 -1.741 5.410 2.740 298 HG12 VAL 39 2HG1 VAL 39 -1.710 7.174 2.795 299 HG13 VAL 39 3HG1 VAL 39 -0.916 6.318 1.473 300 HG21 VAL 39 1HG2 VAL 39 0.746 5.700 5.310 301 HG22 VAL 39 2HG2 VAL 39 -1.001 5.763 5.079 302 HG23 VAL 39 3HG2 VAL 39 -0.073 4.413 4.423 303 H GLU 40 HN GLU 40 1.807 4.163 4.510 304 HA GLU 40 HA GLU 40 3.659 5.380 5.984 305 HB2 GLU 40 2HB GLU 40 2.791 2.840 5.896 306 HB3 GLU 40 3HB GLU 40 4.421 2.599 5.282 307 HG2 GLU 40 2HG GLU 40 4.316 4.285 7.658 308 HG3 GLU 40 3HG GLU 40 3.694 2.655 7.916 309 H LEU 41 HN LEU 41 4.263 3.977 2.823 310 HA LEU 41 HA LEU 41 7.101 4.363 2.915 311 HB2 LEU 41 2HB LEU 41 5.114 3.523 0.869 312 HB3 LEU 41 3HB LEU 41 6.686 4.099 0.314 313 HG LEU 41 HG LEU 41 6.462 1.610 0.530 314 HD11 LEU 41 1HD1 LEU 41 8.600 1.990 2.384 315 HD12 LEU 41 2HD1 LEU 41 8.584 3.324 1.232 316 HD13 LEU 41 3HD1 LEU 41 8.673 1.661 0.652 317 HD21 LEU 41 1HD2 LEU 41 5.987 0.583 2.471 318 HD22 LEU 41 2HD2 LEU 41 5.268 2.134 2.907 319 HD23 LEU 41 3HD2 LEU 41 6.907 1.742 3.430 320 H LEU 42 HN LEU 42 4.400 6.047 1.336 321 HA LEU 42 HA LEU 42 6.070 8.096 0.241 322 HB2 LEU 42 2HB LEU 42 3.083 7.918 0.594 323 HB3 LEU 42 3HB LEU 42 3.905 9.220 -0.262 324 HG LEU 42 HG LEU 42 4.459 6.466 -1.195 325 HD11 LEU 42 1HD1 LEU 42 1.995 6.531 -0.694 326 HD12 LEU 42 2HD1 LEU 42 2.421 6.213 -2.376 327 HD13 LEU 42 3HD1 LEU 42 1.862 7.815 -1.896 328 HD21 LEU 42 1HD2 LEU 42 4.242 9.219 -2.301 329 HD22 LEU 42 2HD2 LEU 42 3.961 7.854 -3.382 330 HD23 LEU 42 3HD2 LEU 42 5.499 8.002 -2.530 331 H ILE 43 HN ILE 43 3.514 8.207 2.731 332 HA ILE 43 HA ILE 43 3.713 10.716 3.665 333 HB ILE 43 HB ILE 43 2.889 8.221 4.801 334 HG12 ILE 43 2HG1 ILE 43 1.435 9.823 6.157 335 HG13 ILE 43 3HG1 ILE 43 2.264 11.128 5.315 336 HG21 ILE 43 1HG2 ILE 43 3.248 8.801 7.198 337 HG22 ILE 43 2HG2 ILE 43 4.720 8.361 6.334 338 HG23 ILE 43 3HG2 ILE 43 4.371 10.055 6.675 339 HD11 ILE 43 1HD1 ILE 43 1.051 10.845 3.472 340 HD12 ILE 43 2HD1 ILE 43 1.214 9.090 3.525 341 HD13 ILE 43 3HD1 ILE 43 -0.026 9.890 4.489 342 H LYS 44 HN LYS 44 6.001 8.117 4.364 343 HA LYS 44 HA LYS 44 7.574 9.509 6.238 344 HB2 LYS 44 2HB LYS 44 7.696 7.008 4.797 345 HB3 LYS 44 3HB LYS 44 9.283 7.763 4.858 346 HG2 LYS 44 2HG LYS 44 8.836 6.194 6.724 347 HG3 LYS 44 3HG LYS 44 9.237 7.832 7.246 348 HD2 LYS 44 2HD LYS 44 7.416 7.586 8.553 349 HD3 LYS 44 3HD LYS 44 6.544 8.012 7.077 350 HE2 LYS 44 2HE LYS 44 5.485 6.064 7.212 351 HE3 LYS 44 3HE LYS 44 7.023 5.256 6.917 352 HZ1 LYS 44 1HZ LYS 44 6.652 4.340 8.906 353 HZ2 LYS 44 2HZ LYS 44 5.516 5.507 9.362 354 HZ3 LYS 44 3HZ LYS 44 7.169 5.821 9.542 355 H GLU 45 HN GLU 45 7.786 9.233 2.716 356 HA GLU 45 HA GLU 45 10.197 10.737 2.497 357 HB2 GLU 45 2HB GLU 45 8.368 9.376 0.718 358 HB3 GLU 45 3HB GLU 45 8.824 10.942 0.062 359 HG2 GLU 45 2HG GLU 45 10.735 8.796 0.954 360 HG3 GLU 45 3HG GLU 45 10.292 9.153 -0.714 361 H GLY 46 HN GLY 46 7.193 11.672 0.880 362 HA2 GLY 46 1HA GLY 46 5.935 13.652 1.360 363 HA3 GLY 46 2HA GLY 46 7.349 14.310 2.170 364 H LEU 47 HN LEU 47 8.805 13.098 -0.347 365 HA LEU 47 HA LEU 47 9.413 15.417 -1.648 366 HB2 LEU 47 2HB LEU 47 10.443 14.147 -3.257 367 HB3 LEU 47 3HB LEU 47 10.324 13.000 -1.924 368 HG LEU 47 HG LEU 47 8.324 13.085 -4.171 369 HD11 LEU 47 1HD1 LEU 47 9.556 11.625 -5.438 370 HD12 LEU 47 2HD1 LEU 47 10.513 11.068 -4.067 371 HD13 LEU 47 3HD1 LEU 47 10.833 12.648 -4.779 372 HD21 LEU 47 1HD2 LEU 47 7.391 11.282 -3.214 373 HD22 LEU 47 2HD2 LEU 47 8.206 11.847 -1.756 374 HD23 LEU 47 3HD2 LEU 47 8.948 10.595 -2.752 375 H GLU 48 HN GLU 48 6.783 13.175 -2.458 376 HA GLU 48 HA GLU 48 5.063 15.201 -3.372 377 HB2 GLU 48 2HB GLU 48 5.105 14.966 -5.726 378 HB3 GLU 48 3HB GLU 48 6.782 15.167 -5.236 379 HG2 GLU 48 2HG GLU 48 6.583 12.480 -5.186 380 HG3 GLU 48 3HG GLU 48 5.432 12.866 -6.464 381 H THR 49 HN THR 49 3.855 13.530 -5.478 382 HA THR 49 HA THR 49 2.556 11.643 -5.756 383 HB THR 49 HB THR 49 3.121 10.748 -2.945 384 HG1 THR 49 1HG THR 49 4.812 10.548 -5.221 385 HG21 THR 49 1HG2 THR 49 2.200 8.809 -3.598 386 HG22 THR 49 2HG2 THR 49 3.084 8.804 -5.124 387 HG23 THR 49 3HG2 THR 49 1.581 9.714 -4.978 388 H ALA 50 HN ALA 50 2.455 13.574 -2.854 389 HA ALA 50 HA ALA 50 0.747 14.359 -1.565 390 HB1 ALA 50 1HB ALA 50 -0.665 14.122 -4.218 391 HB2 ALA 50 2HB ALA 50 -1.325 14.961 -2.813 392 HB3 ALA 50 3HB ALA 50 0.161 15.538 -3.566 393 H ILE 51 HN ILE 51 1.032 11.328 -2.104 394 HA ILE 51 HA ILE 51 -0.172 9.383 -1.761 395 HB ILE 51 HB ILE 51 -0.883 11.041 0.661 396 HG12 ILE 51 2HG1 ILE 51 1.023 9.903 1.704 397 HG13 ILE 51 3HG1 ILE 51 1.336 9.033 0.205 398 HG21 ILE 51 1HG2 ILE 51 -2.319 9.008 0.253 399 HG22 ILE 51 2HG2 ILE 51 -0.860 8.040 0.462 400 HG23 ILE 51 3HG2 ILE 51 -1.453 9.038 1.789 401 HD11 ILE 51 1HD1 ILE 51 2.629 11.254 0.906 402 HD12 ILE 51 2HD1 ILE 51 2.321 10.810 -0.773 403 HD13 ILE 51 3HD1 ILE 51 1.276 11.978 0.037 404 H SER 52 HN SER 52 -1.685 9.522 -3.486 405 HA SER 52 HA SER 52 -4.320 10.615 -2.844 406 HB2 SER 52 2HB SER 52 -4.050 9.352 -5.461 407 HB3 SER 52 3HB SER 52 -4.552 10.992 -5.051 408 HG SER 52 HG SER 52 -2.631 11.081 -6.204 409 H CYS 53 HN CYS 53 -6.237 9.364 -3.121 410 HA CYS 53 HA CYS 53 -6.506 7.073 -1.793 411 HB2 CYS 53 2HB CYS 53 -8.409 8.259 -2.775 412 HB3 CYS 53 3HB CYS 53 -7.945 7.700 -4.380 413 HA PRO 54 HA PRO 54 -4.162 3.944 -3.844 414 HB2 PRO 54 2HB PRO 54 -5.231 1.792 -2.580 415 HB3 PRO 54 3HB PRO 54 -4.085 2.891 -1.803 416 HG2 PRO 54 2HG PRO 54 -7.070 2.806 -1.588 417 HG3 PRO 54 3HG PRO 54 -5.863 3.038 -0.310 418 HD2 PRO 54 2HD PRO 54 -7.244 5.096 -1.400 419 HD3 PRO 54 3HD PRO 54 -5.580 5.270 -0.810 420 H ASP 55 HN ASP 55 -7.327 4.635 -4.412 421 HA ASP 55 HA ASP 55 -7.656 2.362 -6.258 422 HB2 ASP 55 2HB ASP 55 -9.421 3.378 -4.290 423 HB3 ASP 55 3HB ASP 55 -10.112 3.790 -5.857 424 H ALA 56 HN ALA 56 -6.608 3.269 -8.013 425 HA ALA 56 HA ALA 56 -6.878 5.881 -8.951 426 HB1 ALA 56 1HB ALA 56 -6.249 4.797 -11.204 427 HB2 ALA 56 2HB ALA 56 -5.107 4.687 -9.864 428 HB3 ALA 56 3HB ALA 56 -6.121 3.304 -10.274 429 H ALA 57 HN ALA 57 -9.185 3.432 -8.851 430 HA ALA 57 HA ALA 57 -10.700 4.494 -11.122 431 HB1 ALA 57 1HB ALA 57 -10.989 2.006 -9.461 432 HB2 ALA 57 2HB ALA 57 -12.234 2.542 -10.590 433 HB3 ALA 57 3HB ALA 57 -10.621 2.143 -11.181 434 H CYS 58 HN CYS 58 -10.287 5.507 -8.160 435 HA CYS 58 HA CYS 58 -12.882 5.561 -7.017 436 HB2 CYS 58 2HB CYS 58 -10.663 5.978 -5.835 437 HB3 CYS 58 3HB CYS 58 -10.705 7.595 -6.534 438 HA PRO 59 HA PRO 59 -14.783 8.605 -9.598 439 HB2 PRO 59 2HB PRO 59 -16.916 9.136 -8.005 440 HB3 PRO 59 3HB PRO 59 -16.778 7.658 -8.965 441 HG2 PRO 59 2HG PRO 59 -16.210 8.089 -6.057 442 HG3 PRO 59 3HG PRO 59 -17.052 6.741 -6.846 443 HD2 PRO 59 2HD PRO 59 -14.469 6.580 -6.048 444 HD3 PRO 59 3HD PRO 59 -15.085 5.714 -7.471 445 H LYS 60 HN LYS 60 -13.654 9.161 -6.390 446 HA LYS 60 HA LYS 60 -13.850 12.072 -6.813 447 HB2 LYS 60 2HB LYS 60 -15.161 11.640 -4.915 448 HB3 LYS 60 3HB LYS 60 -14.047 10.422 -4.310 449 HG2 LYS 60 2HG LYS 60 -12.681 11.948 -3.340 450 HG3 LYS 60 3HG LYS 60 -13.018 13.186 -4.552 451 HD2 LYS 60 2HD LYS 60 -15.237 12.363 -2.754 452 HD3 LYS 60 3HD LYS 60 -13.946 13.353 -2.070 453 HE2 LYS 60 2HE LYS 60 -14.323 14.839 -4.161 454 HE3 LYS 60 3HE LYS 60 -15.873 14.005 -4.265 455 HZ1 LYS 60 1HZ LYS 60 -15.000 15.275 -1.748 456 HZ2 LYS 60 2HZ LYS 60 -16.567 14.877 -2.246 457 HZ3 LYS 60 3HZ LYS 60 -15.759 16.181 -2.959 458 H GLN 61 HN GLN 61 -11.804 9.372 -6.161 459 HA GLN 61 HA GLN 61 -9.562 9.157 -5.774 460 HB2 GLN 61 2HB GLN 61 -9.538 11.593 -7.565 461 HB3 GLN 61 3HB GLN 61 -8.145 10.575 -7.221 462 HG2 GLN 61 2HG GLN 61 -9.697 8.671 -8.122 463 HG3 GLN 61 3HG GLN 61 -10.540 10.013 -8.896 464 HE21 GLN 61 1HE2 GLN 61 -9.688 8.482 -10.697 465 HE22 GLN 61 2HE2 GLN 61 -8.188 8.962 -11.406 466 H GLY 62 HN GLY 62 -10.698 10.312 -3.610 467 HA2 GLY 62 1HA GLY 62 -9.727 12.819 -2.825 468 HA3 GLY 62 2HA GLY 62 -10.202 11.529 -1.729 469 H HIS 63 HN HIS 63 -7.953 13.497 -1.667 470 HA HIS 63 HA HIS 63 -5.632 11.724 -1.823 471 HB2 HIS 63 2HB HIS 63 -5.963 14.701 -1.541 472 HB3 HIS 63 3HB HIS 63 -4.422 13.923 -1.187 473 HD1 HIS 63 1HD HIS 63 -6.648 14.911 -3.993 474 HD2 HIS 63 2HD HIS 63 -3.082 12.856 -3.436 475 HE1 HIS 63 1HE HIS 63 -5.630 14.703 -6.282 476 H LEU 64 HN LEU 64 -3.999 12.024 0.012 477 HA LEU 64 HA LEU 64 -5.430 12.023 2.588 478 HB2 LEU 64 2HB LEU 64 -3.233 10.251 1.568 479 HB3 LEU 64 3HB LEU 64 -3.541 10.440 3.293 480 HG LEU 64 HG LEU 64 -5.820 9.651 1.556 481 HD11 LEU 64 1HD1 LEU 64 -4.407 8.084 0.643 482 HD12 LEU 64 2HD1 LEU 64 -5.007 7.226 2.061 483 HD13 LEU 64 3HD1 LEU 64 -3.411 7.976 2.095 484 HD21 LEU 64 1HD2 LEU 64 -6.718 9.386 3.566 485 HD22 LEU 64 2HD2 LEU 64 -5.178 9.763 4.338 486 HD23 LEU 64 3HD2 LEU 64 -5.557 8.098 3.893 487 H GLN 65 HN GLN 65 -4.122 12.602 4.465 488 HA GLN 65 HA GLN 65 -2.429 14.868 3.863 489 HB2 GLN 65 2HB GLN 65 -2.624 14.117 6.675 490 HB3 GLN 65 3HB GLN 65 -3.039 15.633 5.885 491 HG2 GLN 65 2HG GLN 65 -5.072 14.962 6.698 492 HG3 GLN 65 3HG GLN 65 -5.122 14.323 5.056 493 HE21 GLN 65 1HE2 GLN 65 -3.087 12.267 5.937 494 HE22 GLN 65 2HE2 GLN 65 -4.027 11.065 6.747 495 H GLU 66 HN GLU 66 -0.401 15.165 5.209 496 HA GLU 66 HA GLU 66 1.252 12.791 4.859 497 HB2 GLU 66 2HB GLU 66 1.673 15.662 4.768 498 HB3 GLU 66 3HB GLU 66 2.873 14.868 5.778 499 HG2 GLU 66 2HG GLU 66 2.734 13.260 3.537 500 HG3 GLU 66 3HG GLU 66 2.597 14.897 2.897 501 H ASN 67 HN ASN 67 0.076 14.913 7.387 502 HA ASN 67 HA ASN 67 1.674 13.579 9.417 503 HB2 ASN 67 2HB ASN 67 1.490 15.901 9.799 504 HB3 ASN 67 3HB ASN 67 -0.238 15.906 9.458 505 HD21 ASN 67 1HD2 ASN 67 -0.385 17.059 11.484 506 HD22 ASN 67 2HD2 ASN 67 -0.426 16.169 12.965 507 H GLU 68 HN GLU 68 -1.806 14.317 9.107 508 HA GLU 68 HA GLU 68 -2.883 12.750 11.002 509 HB2 GLU 68 2HB GLU 68 -3.778 13.752 8.438 510 HB3 GLU 68 3HB GLU 68 -4.516 12.197 8.798 511 HG2 GLU 68 2HG GLU 68 -4.494 14.306 10.897 512 HG3 GLU 68 3HG GLU 68 -5.639 14.429 9.563 513 H ILE 69 HN ILE 69 -1.546 11.618 7.953 514 HA ILE 69 HA ILE 69 -2.382 8.901 8.319 515 HB ILE 69 HB ILE 69 -0.501 10.247 6.401 516 HG12 ILE 69 2HG1 ILE 69 -3.277 9.295 6.406 517 HG13 ILE 69 3HG1 ILE 69 -2.507 10.517 5.400 518 HG21 ILE 69 1HG2 ILE 69 0.515 8.109 6.920 519 HG22 ILE 69 2HG2 ILE 69 -1.018 7.286 6.638 520 HG23 ILE 69 3HG2 ILE 69 -0.180 8.070 5.299 521 HD11 ILE 69 1HD1 ILE 69 -2.282 7.547 4.978 522 HD12 ILE 69 2HD1 ILE 69 -3.378 8.622 4.108 523 HD13 ILE 69 3HD1 ILE 69 -1.633 8.814 3.936 524 H GLU 70 HN GLU 70 0.866 10.388 8.255 525 HA GLU 70 HA GLU 70 2.325 8.244 9.165 526 HB2 GLU 70 2HB GLU 70 4.069 9.709 9.484 527 HB3 GLU 70 3HB GLU 70 3.031 10.672 8.443 528 HG2 GLU 70 2HG GLU 70 2.177 11.882 10.347 529 HG3 GLU 70 3HG GLU 70 3.106 10.863 11.445 530 H CYS 71 HN CYS 71 0.072 10.164 10.902 531 HA CYS 71 HA CYS 71 1.078 9.599 13.524 532 HB2 CYS 71 2HB CYS 71 -1.080 11.143 12.360 533 HB3 CYS 71 3HB CYS 71 -1.637 10.231 13.757 534 HG CYS 71 HG CYS 71 -0.851 12.003 15.424 535 H MET 72 HN MET 72 -1.207 8.116 11.329 536 HA MET 72 HA MET 72 -2.220 6.283 13.320 537 HB2 MET 72 2HB MET 72 -3.805 5.718 11.789 538 HB3 MET 72 3HB MET 72 -3.323 7.253 11.080 539 HG2 MET 72 2HG MET 72 -1.622 5.818 9.753 540 HG3 MET 72 3HG MET 72 -2.678 4.479 10.194 541 HE1 MET 72 1HE MET 72 -2.958 6.152 6.428 542 HE2 MET 72 2HE MET 72 -1.691 5.585 7.516 543 HE3 MET 72 3HE MET 72 -2.959 4.478 6.986 544 H VAL 73 HN VAL 73 0.689 6.462 12.069 545 HA VAL 73 HA VAL 73 1.038 3.548 12.025 546 HB VAL 73 HB VAL 73 2.841 3.937 10.246 547 HG11 VAL 73 1HG1 VAL 73 1.364 3.357 8.563 548 HG12 VAL 73 2HG1 VAL 73 0.455 2.932 10.015 549 HG13 VAL 73 3HG1 VAL 73 0.101 4.433 9.159 550 HG21 VAL 73 1HG2 VAL 73 1.529 6.581 10.340 551 HG22 VAL 73 2HG2 VAL 73 3.182 6.149 9.903 552 HG23 VAL 73 3HG2 VAL 73 1.876 5.934 8.737 553 H ALA 74 HN ALA 74 2.935 6.567 11.831 554 HA ALA 74 HA ALA 74 4.914 5.396 13.641 555 HB1 ALA 74 1HB ALA 74 5.053 7.989 12.107 556 HB2 ALA 74 2HB ALA 74 6.371 7.199 12.974 557 HB3 ALA 74 3HB ALA 74 5.683 6.442 11.538 558 H ALA 75 HN ALA 75 2.332 6.179 14.663 559 HA ALA 75 HA ALA 75 1.913 8.542 15.820 560 HB1 ALA 75 1HB ALA 75 0.390 7.293 16.843 561 HB2 ALA 75 2HB ALA 75 1.327 5.828 16.545 562 HB3 ALA 75 3HB ALA 75 1.631 6.790 17.991 Start of MODEL 10 1 H1 ALA 1 HN ALA 1 -25.495 -14.071 4.461 2 HA ALA 1 HA ALA 1 -24.107 -12.237 4.053 3 HB1 ALA 1 1HB ALA 1 -26.096 -11.745 1.867 4 HB2 ALA 1 2HB ALA 1 -24.335 -11.661 1.809 5 HB3 ALA 1 3HB ALA 1 -25.140 -13.227 1.913 6 H LEU 2 HN LEU 2 -24.153 -10.641 5.552 7 HA LEU 2 HA LEU 2 -25.956 -8.394 5.018 8 HB2 LEU 2 2HB LEU 2 -27.028 -9.520 6.819 9 HB3 LEU 2 3HB LEU 2 -25.504 -9.721 7.680 10 HG LEU 2 HG LEU 2 -25.729 -6.988 7.467 11 HD11 LEU 2 1HD1 LEU 2 -28.073 -7.400 6.620 12 HD12 LEU 2 2HD1 LEU 2 -27.927 -6.338 8.019 13 HD13 LEU 2 3HD1 LEU 2 -28.450 -8.009 8.232 14 HD21 LEU 2 1HD2 LEU 2 -26.144 -9.031 9.564 15 HD22 LEU 2 2HD2 LEU 2 -26.718 -7.401 9.916 16 HD23 LEU 2 3HD2 LEU 2 -25.023 -7.671 9.508 17 H ASP 3 HN ASP 3 -23.398 -9.293 7.339 18 HA ASP 3 HA ASP 3 -21.953 -6.853 6.532 19 HB2 ASP 3 2HB ASP 3 -21.167 -6.596 8.810 20 HB3 ASP 3 3HB ASP 3 -22.927 -6.682 8.810 21 HA PRO 4 HA PRO 4 -19.328 -10.636 5.781 22 HB2 PRO 4 2HB PRO 4 -18.633 -9.957 3.246 23 HB3 PRO 4 3HB PRO 4 -20.095 -10.875 3.629 24 HG2 PRO 4 2HG PRO 4 -19.788 -7.953 3.055 25 HG3 PRO 4 3HG PRO 4 -21.030 -9.080 2.482 26 HD2 PRO 4 2HD PRO 4 -21.456 -7.363 4.532 27 HD3 PRO 4 3HD PRO 4 -22.225 -8.961 4.450 28 H LEU 5 HN LEU 5 -17.035 -10.713 5.476 29 HA LEU 5 HA LEU 5 -15.705 -8.329 6.421 30 HB2 LEU 5 2HB LEU 5 -14.707 -11.103 5.806 31 HB3 LEU 5 3HB LEU 5 -13.687 -9.805 6.423 32 HG LEU 5 HG LEU 5 -15.815 -9.957 8.219 33 HD11 LEU 5 1HD1 LEU 5 -14.794 -12.714 8.181 34 HD12 LEU 5 2HD1 LEU 5 -15.937 -12.312 6.899 35 HD13 LEU 5 3HD1 LEU 5 -16.396 -12.096 8.588 36 HD21 LEU 5 1HD2 LEU 5 -13.622 -9.434 8.923 37 HD22 LEU 5 2HD2 LEU 5 -12.974 -10.946 8.285 38 HD23 LEU 5 3HD2 LEU 5 -14.031 -10.965 9.698 39 H VAL 6 HN VAL 6 -15.504 -10.434 3.565 40 HA VAL 6 HA VAL 6 -13.494 -9.484 2.103 41 HB VAL 6 HB VAL 6 -14.960 -11.083 1.113 42 HG11 VAL 6 1HG1 VAL 6 -17.169 -10.935 1.256 43 HG12 VAL 6 2HG1 VAL 6 -16.999 -9.343 1.997 44 HG13 VAL 6 3HG1 VAL 6 -17.163 -9.490 0.246 45 HG21 VAL 6 1HG2 VAL 6 -13.852 -9.040 -0.276 46 HG22 VAL 6 2HG2 VAL 6 -14.650 -10.426 -1.019 47 HG23 VAL 6 3HG2 VAL 6 -15.535 -8.918 -0.792 48 H SER 7 HN SER 7 -12.860 -7.384 2.498 49 HA SER 7 HA SER 7 -14.489 -5.326 1.184 50 HB2 SER 7 2HB SER 7 -14.555 -5.396 3.827 51 HB3 SER 7 3HB SER 7 -12.995 -4.588 3.669 52 HG SER 7 HG SER 7 -15.370 -3.494 3.516 53 H CYS 8 HN CYS 8 -12.611 -3.250 2.055 54 HA CYS 8 HA CYS 8 -10.777 -2.187 1.227 55 HB2 CYS 8 2HB CYS 8 -9.453 -3.576 2.600 56 HB3 CYS 8 3HB CYS 8 -9.741 -4.991 1.591 57 H LYS 9 HN LYS 9 -9.333 -1.955 -0.657 58 HA LYS 9 HA LYS 9 -10.117 -3.543 -2.988 59 HB2 LYS 9 2HB LYS 9 -9.892 -0.672 -3.559 60 HB3 LYS 9 3HB LYS 9 -11.059 -1.850 -4.145 61 HG2 LYS 9 2HG LYS 9 -12.366 -1.638 -2.144 62 HG3 LYS 9 3HG LYS 9 -11.144 -0.597 -1.410 63 HD2 LYS 9 2HD LYS 9 -11.792 1.223 -2.598 64 HD3 LYS 9 3HD LYS 9 -12.203 0.274 -4.029 65 HE2 LYS 9 2HE LYS 9 -13.860 0.169 -1.526 66 HE3 LYS 9 3HE LYS 9 -14.113 1.408 -2.754 67 HZ1 LYS 9 1HZ LYS 9 -14.949 -0.081 -4.221 68 HZ2 LYS 9 2HZ LYS 9 -15.387 -0.885 -2.799 69 HZ3 LYS 9 3HZ LYS 9 -14.009 -1.368 -3.652 70 H LEU 10 HN LEU 10 -7.775 -3.973 -1.829 71 HA LEU 10 HA LEU 10 -5.884 -2.882 -3.761 72 HB2 LEU 10 2HB LEU 10 -5.683 -2.592 -0.790 73 HB3 LEU 10 3HB LEU 10 -4.225 -2.697 -1.774 74 HG LEU 10 HG LEU 10 -6.364 -0.612 -2.174 75 HD11 LEU 10 1HD1 LEU 10 -3.720 -0.183 -0.820 76 HD12 LEU 10 2HD1 LEU 10 -5.189 -0.557 0.080 77 HD13 LEU 10 3HD1 LEU 10 -5.105 0.905 -0.902 78 HD21 LEU 10 1HD2 LEU 10 -4.260 -1.444 -3.795 79 HD22 LEU 10 2HD2 LEU 10 -3.678 0.027 -3.017 80 HD23 LEU 10 3HD2 LEU 10 -5.183 0.052 -3.937 81 H CYS 11 HN CYS 11 -6.610 -5.198 -1.214 82 HA CYS 11 HA CYS 11 -4.726 -7.078 -2.482 83 HB2 CYS 11 2HB CYS 11 -4.313 -8.084 -0.318 84 HB3 CYS 11 3HB CYS 11 -3.989 -6.357 -0.221 85 H LEU 12 HN LEU 12 -7.926 -6.398 -1.705 86 HA LEU 12 HA LEU 12 -9.875 -7.560 -1.854 87 HB2 LEU 12 2HB LEU 12 -8.081 -9.330 -3.498 88 HB3 LEU 12 3HB LEU 12 -9.811 -9.613 -3.327 89 HG LEU 12 HG LEU 12 -8.740 -8.271 -5.376 90 HD11 LEU 12 1HD1 LEU 12 -11.046 -8.937 -5.245 91 HD12 LEU 12 2HD1 LEU 12 -10.964 -7.229 -5.676 92 HD13 LEU 12 3HD1 LEU 12 -11.375 -7.703 -4.029 93 HD21 LEU 12 1HD2 LEU 12 -9.178 -5.843 -4.984 94 HD22 LEU 12 2HD2 LEU 12 -7.782 -6.482 -4.117 95 HD23 LEU 12 3HD2 LEU 12 -9.297 -6.199 -3.261 96 H GLY 13 HN GLY 13 -8.984 -7.864 0.557 97 HA2 GLY 13 1HA GLY 13 -8.824 -10.745 1.136 98 HA3 GLY 13 2HA GLY 13 -8.331 -9.460 2.228 99 H GLU 14 HN GLU 14 -9.604 -9.437 3.951 100 HA GLU 14 HA GLU 14 -12.410 -9.012 3.716 101 HB2 GLU 14 2HB GLU 14 -12.783 -11.156 5.258 102 HB3 GLU 14 3HB GLU 14 -12.901 -11.227 3.504 103 HG2 GLU 14 2HG GLU 14 -10.512 -11.940 3.449 104 HG3 GLU 14 3HG GLU 14 -10.563 -12.043 5.208 105 H TYR 15 HN TYR 15 -12.847 -7.632 5.291 106 HA TYR 15 HA TYR 15 -12.008 -8.125 8.001 107 HB2 TYR 15 2HB TYR 15 -11.193 -5.426 7.084 108 HB3 TYR 15 3HB TYR 15 -10.462 -6.473 8.296 109 HD1 TYR 15 1HD TYR 15 -10.473 -5.480 4.799 110 HD2 TYR 15 2HD TYR 15 -8.902 -8.260 7.611 111 HE1 TYR 15 1HE TYR 15 -8.720 -6.105 3.191 112 HE2 TYR 15 2HE TYR 15 -7.144 -8.892 6.011 113 HH TYR 15 HH TYR 15 -6.279 -8.561 3.999 114 HA PRO 16 HA PRO 16 -15.709 -5.956 8.923 115 HB2 PRO 16 2HB PRO 16 -15.117 -4.857 11.334 116 HB3 PRO 16 3HB PRO 16 -15.403 -6.587 11.111 117 HG2 PRO 16 2HG PRO 16 -12.809 -5.107 11.312 118 HG3 PRO 16 3HG PRO 16 -13.279 -6.647 12.056 119 HD2 PRO 16 2HD PRO 16 -11.751 -6.514 9.825 120 HD3 PRO 16 3HD PRO 16 -12.888 -7.844 10.126 121 H VAL 17 HN VAL 17 -16.139 -3.640 10.293 122 HA VAL 17 HA VAL 17 -15.023 -1.638 8.461 123 HB VAL 17 HB VAL 17 -17.602 -1.905 9.899 124 HG11 VAL 17 1HG1 VAL 17 -16.317 0.768 9.352 125 HG12 VAL 17 2HG1 VAL 17 -18.022 0.530 9.740 126 HG13 VAL 17 3HG1 VAL 17 -16.781 0.118 10.924 127 HG21 VAL 17 1HG2 VAL 17 -16.872 -2.030 7.310 128 HG22 VAL 17 2HG2 VAL 17 -18.490 -1.579 7.848 129 HG23 VAL 17 3HG2 VAL 17 -17.321 -0.329 7.423 130 H GLU 18 HN GLU 18 -14.780 -2.726 11.649 131 HA GLU 18 HA GLU 18 -13.946 -0.129 12.697 132 HB2 GLU 18 2HB GLU 18 -15.043 -2.539 13.833 133 HB3 GLU 18 3HB GLU 18 -13.536 -2.129 14.639 134 HG2 GLU 18 2HG GLU 18 -14.577 0.259 14.755 135 HG3 GLU 18 3HG GLU 18 -16.094 -0.608 14.520 136 H GLN 19 HN GLN 19 -12.529 -2.318 10.844 137 HA GLN 19 HA GLN 19 -9.935 -2.150 12.231 138 HB2 GLN 19 2HB GLN 19 -11.166 -4.275 10.533 139 HB3 GLN 19 3HB GLN 19 -9.419 -4.079 10.496 140 HG2 GLN 19 2HG GLN 19 -9.324 -4.399 12.910 141 HG3 GLN 19 3HG GLN 19 -11.077 -4.580 12.957 142 HE21 GLN 19 1HE2 GLN 19 -11.579 -6.617 13.289 143 HE22 GLN 19 2HE2 GLN 19 -10.833 -7.987 12.546 144 H MET 20 HN MET 20 -11.657 -1.676 9.220 145 HA MET 20 HA MET 20 -9.357 -1.029 7.661 146 HB2 MET 20 2HB MET 20 -11.949 0.111 6.837 147 HB3 MET 20 3HB MET 20 -10.799 -0.852 5.920 148 HG2 MET 20 2HG MET 20 -11.692 -2.739 7.580 149 HG3 MET 20 3HG MET 20 -13.112 -1.695 7.549 150 HE1 MET 20 1HE MET 20 -11.217 -3.695 3.862 151 HE2 MET 20 2HE MET 20 -10.673 -2.089 4.351 152 HE3 MET 20 3HE MET 20 -10.454 -3.463 5.436 153 H THR 21 HN THR 21 -9.398 1.208 6.483 154 HA THR 21 HA THR 21 -9.887 3.348 8.440 155 HB THR 21 HB THR 21 -7.339 2.900 6.883 156 HG1 THR 21 1HG THR 21 -7.574 3.403 9.654 157 HG21 THR 21 1HG2 THR 21 -6.569 5.038 7.829 158 HG22 THR 21 2HG2 THR 21 -8.180 5.316 8.489 159 HG23 THR 21 3HG2 THR 21 -7.941 5.258 6.743 160 H THR 22 HN THR 22 -10.782 5.148 7.618 161 HA THR 22 HA THR 22 -11.526 5.155 4.825 162 HB THR 22 HB THR 22 -12.115 7.293 6.874 163 HG1 THR 22 1HG THR 22 -13.223 5.726 7.790 164 HG21 THR 22 1HG2 THR 22 -13.975 6.589 4.676 165 HG22 THR 22 2HG2 THR 22 -12.494 7.435 4.228 166 HG23 THR 22 3HG2 THR 22 -13.606 8.159 5.390 167 H ILE 23 HN ILE 23 -10.521 6.216 3.248 168 HA ILE 23 HA ILE 23 -8.068 7.327 3.315 169 HB ILE 23 HB ILE 23 -10.350 8.296 1.589 170 HG12 ILE 23 2HG1 ILE 23 -9.831 5.852 1.474 171 HG13 ILE 23 3HG1 ILE 23 -9.567 6.703 -0.044 172 HG21 ILE 23 1HG2 ILE 23 -7.432 8.488 0.920 173 HG22 ILE 23 2HG2 ILE 23 -8.796 9.312 0.168 174 HG23 ILE 23 3HG2 ILE 23 -8.270 9.775 1.786 175 HD11 ILE 23 1HD1 ILE 23 -7.372 6.269 -0.043 176 HD12 ILE 23 2HD1 ILE 23 -7.215 6.521 1.695 177 HD13 ILE 23 3HD1 ILE 23 -7.818 4.983 1.078 178 H ALA 24 HN ALA 24 -11.075 8.963 4.131 179 HA ALA 24 HA ALA 24 -11.377 10.773 5.528 180 HB1 ALA 24 1HB ALA 24 -8.494 11.532 5.379 181 HB2 ALA 24 2HB ALA 24 -9.642 11.727 6.705 182 HB3 ALA 24 3HB ALA 24 -8.982 10.133 6.337 183 H GLN 25 HN GLN 25 -11.252 10.686 2.549 184 HA GLN 25 HA GLN 25 -11.492 13.534 2.127 185 HB2 GLN 25 2HB GLN 25 -9.175 12.006 1.171 186 HB3 GLN 25 3HB GLN 25 -9.988 12.931 -0.083 187 HG2 GLN 25 2HG GLN 25 -8.816 13.981 2.478 188 HG3 GLN 25 3HG GLN 25 -8.230 14.258 0.839 189 HE21 GLN 25 1HE2 GLN 25 -10.432 15.218 3.277 190 HE22 GLN 25 2HE2 GLN 25 -11.155 16.534 2.423 191 H CYS 26 HN CYS 26 -11.113 10.555 0.195 192 HA CYS 26 HA CYS 26 -13.346 11.342 -1.486 193 HB2 CYS 26 2HB CYS 26 -12.783 9.140 -2.650 194 HB3 CYS 26 3HB CYS 26 -11.551 10.396 -2.698 195 H GLN 27 HN GLN 27 -12.773 9.382 1.262 196 HA GLN 27 HA GLN 27 -14.253 8.271 2.610 197 HB2 GLN 27 2HB GLN 27 -16.402 8.588 0.532 198 HB3 GLN 27 3HB GLN 27 -16.577 8.414 2.273 199 HG2 GLN 27 2HG GLN 27 -15.109 10.788 1.299 200 HG3 GLN 27 3HG GLN 27 -16.849 10.740 1.018 201 HE21 GLN 27 1HE2 GLN 27 -14.384 11.357 3.243 202 HE22 GLN 27 2HE2 GLN 27 -15.368 11.593 4.643 203 H CYS 28 HN CYS 28 -12.590 6.704 1.480 204 HA CYS 28 HA CYS 28 -14.122 4.582 0.126 205 HB2 CYS 28 2HB CYS 28 -11.221 5.372 -0.055 206 HB3 CYS 28 3HB CYS 28 -11.780 3.785 -0.575 207 H ILE 29 HN ILE 29 -12.601 2.420 0.460 208 HA ILE 29 HA ILE 29 -12.131 2.153 3.348 209 HB ILE 29 HB ILE 29 -14.372 1.117 2.132 210 HG12 ILE 29 2HG1 ILE 29 -13.202 -0.331 4.467 211 HG13 ILE 29 3HG1 ILE 29 -13.518 1.394 4.628 212 HG21 ILE 29 1HG2 ILE 29 -12.343 -1.098 2.393 213 HG22 ILE 29 2HG2 ILE 29 -14.063 -1.306 2.067 214 HG23 ILE 29 3HG2 ILE 29 -13.034 -0.496 0.885 215 HD11 ILE 29 1HD1 ILE 29 -15.316 -0.342 5.330 216 HD12 ILE 29 2HD1 ILE 29 -15.793 1.124 4.473 217 HD13 ILE 29 3HD1 ILE 29 -15.661 -0.404 3.603 218 H PHE 30 HN PHE 30 -10.258 1.203 3.813 219 HA PHE 30 HA PHE 30 -9.136 -0.827 2.079 220 HB2 PHE 30 2HB PHE 30 -7.665 1.766 2.599 221 HB3 PHE 30 3HB PHE 30 -6.967 0.340 1.837 222 HD1 PHE 30 1HD PHE 30 -7.757 -0.380 -0.390 223 HD2 PHE 30 2HD PHE 30 -9.042 3.266 1.389 224 HE1 PHE 30 1HE PHE 30 -8.526 0.417 -2.587 225 HE2 PHE 30 2HE PHE 30 -9.815 4.069 -0.805 226 HZ PHE 30 HZ PHE 30 -9.558 2.643 -2.797 227 H CYS 31 HN CYS 31 -8.169 -2.345 3.263 228 HA CYS 31 HA CYS 31 -8.130 -2.266 6.061 229 HB2 CYS 31 2HB CYS 31 -7.077 -4.390 5.977 230 HB3 CYS 31 3HB CYS 31 -8.116 -4.318 4.558 231 H THR 32 HN THR 32 -6.690 -1.577 7.521 232 HA THR 32 HA THR 32 -4.830 0.294 7.212 233 HB THR 32 HB THR 32 -4.116 -2.000 9.018 234 HG1 THR 32 1HG THR 32 -6.282 -0.175 9.259 235 HG21 THR 32 1HG2 THR 32 -3.371 0.774 8.738 236 HG22 THR 32 2HG2 THR 32 -2.659 -0.479 9.755 237 HG23 THR 32 3HG2 THR 32 -4.029 0.462 10.344 238 H LEU 33 HN LEU 33 -4.007 -3.173 7.048 239 HA LEU 33 HA LEU 33 -1.365 -3.153 6.555 240 HB2 LEU 33 2HB LEU 33 -3.515 -4.756 5.202 241 HB3 LEU 33 3HB LEU 33 -1.804 -5.039 4.893 242 HG LEU 33 HG LEU 33 -2.093 -5.089 7.682 243 HD11 LEU 33 1HD1 LEU 33 -4.221 -6.753 6.344 244 HD12 LEU 33 2HD1 LEU 33 -4.516 -5.324 7.334 245 HD13 LEU 33 3HD1 LEU 33 -3.798 -6.764 8.056 246 HD21 LEU 33 1HD2 LEU 33 -0.533 -6.549 6.949 247 HD22 LEU 33 2HD2 LEU 33 -1.435 -6.950 5.486 248 HD23 LEU 33 3HD2 LEU 33 -1.881 -7.683 7.028 249 H CYS 34 HN CYS 34 -3.631 -3.139 3.800 250 HA CYS 34 HA CYS 34 -1.721 -2.301 1.922 251 HB2 CYS 34 2HB CYS 34 -4.710 -1.877 1.757 252 HB3 CYS 34 3HB CYS 34 -3.576 -1.962 0.412 253 H LEU 35 HN LEU 35 -4.468 -0.399 3.177 254 HA LEU 35 HA LEU 35 -3.803 2.058 2.186 255 HB2 LEU 35 2HB LEU 35 -5.698 1.130 3.886 256 HB3 LEU 35 3HB LEU 35 -4.722 2.105 4.982 257 HG LEU 35 HG LEU 35 -5.998 3.117 2.442 258 HD11 LEU 35 1HD1 LEU 35 -7.236 2.499 4.852 259 HD12 LEU 35 2HD1 LEU 35 -7.865 3.533 3.569 260 HD13 LEU 35 3HD1 LEU 35 -6.972 4.242 4.915 261 HD21 LEU 35 1HD2 LEU 35 -5.472 5.279 3.981 262 HD22 LEU 35 2HD2 LEU 35 -4.409 4.686 2.705 263 HD23 LEU 35 3HD2 LEU 35 -4.102 4.243 4.385 264 H LYS 36 HN LYS 36 -2.127 0.268 4.576 265 HA LYS 36 HA LYS 36 -0.690 2.596 5.585 266 HB2 LYS 36 2HB LYS 36 -1.314 0.948 7.231 267 HB3 LYS 36 3HB LYS 36 -0.557 -0.337 6.297 268 HG2 LYS 36 2HG LYS 36 1.531 1.364 6.661 269 HG3 LYS 36 3HG LYS 36 0.622 1.590 8.157 270 HD2 LYS 36 2HD LYS 36 0.638 -1.170 7.701 271 HD3 LYS 36 3HD LYS 36 2.276 -0.622 7.332 272 HE2 LYS 36 2HE LYS 36 2.559 -0.866 9.558 273 HE3 LYS 36 3HE LYS 36 1.831 0.738 9.609 274 HZ1 LYS 36 1HZ LYS 36 0.507 -0.333 11.087 275 HZ2 LYS 36 2HZ LYS 36 0.690 -1.846 10.357 276 HZ3 LYS 36 3HZ LYS 36 -0.357 -0.701 9.681 277 H GLN 37 HN GLN 37 0.439 -0.617 4.533 278 HA GLN 37 HA GLN 37 3.021 -0.066 3.965 279 HB2 GLN 37 2HB GLN 37 1.313 -2.163 3.420 280 HB3 GLN 37 3HB GLN 37 1.823 -1.649 1.818 281 HG2 GLN 37 2HG GLN 37 4.164 -1.879 2.498 282 HG3 GLN 37 3HG GLN 37 3.638 -2.424 4.090 283 HE21 GLN 37 1HE2 GLN 37 1.910 -4.258 3.869 284 HE22 GLN 37 2HE2 GLN 37 2.373 -5.551 2.822 285 H TYR 38 HN TYR 38 0.270 1.101 2.241 286 HA TYR 38 HA TYR 38 1.757 1.882 -0.108 287 HB2 TYR 38 2HB TYR 38 -0.327 1.703 -0.918 288 HB3 TYR 38 3HB TYR 38 -1.036 1.758 0.691 289 HD1 TYR 38 1HD TYR 38 -2.742 3.311 0.717 290 HD2 TYR 38 2HD TYR 38 0.873 4.273 -1.310 291 HE1 TYR 38 1HE TYR 38 -3.603 5.571 0.266 292 HE2 TYR 38 2HE TYR 38 0.023 6.535 -1.767 293 HH TYR 38 HH TYR 38 -3.252 7.496 -0.803 294 H VAL 39 HN VAL 39 -0.165 3.761 2.239 295 HA VAL 39 HA VAL 39 1.004 6.237 1.559 296 HB VAL 39 HB VAL 39 -0.103 7.153 3.482 297 HG11 VAL 39 1HG1 VAL 39 -2.390 6.410 3.100 298 HG12 VAL 39 2HG1 VAL 39 -1.513 6.537 1.573 299 HG13 VAL 39 3HG1 VAL 39 -1.798 4.955 2.301 300 HG21 VAL 39 1HG2 VAL 39 -1.274 5.608 5.093 301 HG22 VAL 39 2HG2 VAL 39 -0.326 4.294 4.398 302 HG23 VAL 39 3HG2 VAL 39 0.486 5.632 5.208 303 H GLU 40 HN GLU 40 1.549 4.079 4.341 304 HA GLU 40 HA GLU 40 3.305 5.359 5.878 305 HB2 GLU 40 2HB GLU 40 2.629 2.802 5.741 306 HB3 GLU 40 3HB GLU 40 4.206 2.662 4.978 307 HG2 GLU 40 2HG GLU 40 4.424 4.249 7.347 308 HG3 GLU 40 3HG GLU 40 3.612 2.729 7.716 309 H LEU 41 HN LEU 41 4.317 3.675 2.903 310 HA LEU 41 HA LEU 41 6.995 4.492 2.966 311 HB2 LEU 41 2HB LEU 41 5.145 3.482 0.866 312 HB3 LEU 41 3HB LEU 41 6.684 4.178 0.362 313 HG LEU 41 HG LEU 41 6.689 1.696 0.564 314 HD11 LEU 41 1HD1 LEU 41 8.590 3.579 1.503 315 HD12 LEU 41 2HD1 LEU 41 8.870 1.978 0.818 316 HD13 LEU 41 3HD1 LEU 41 8.651 2.167 2.558 317 HD21 LEU 41 1HD2 LEU 41 6.624 0.642 2.701 318 HD22 LEU 41 2HD2 LEU 41 5.179 1.645 2.560 319 HD23 LEU 41 3HD2 LEU 41 6.546 2.196 3.531 320 H LEU 42 HN LEU 42 4.450 5.741 0.795 321 HA LEU 42 HA LEU 42 5.861 7.956 -0.117 322 HB2 LEU 42 2HB LEU 42 2.907 7.485 0.191 323 HB3 LEU 42 3HB LEU 42 3.573 8.916 -0.594 324 HG LEU 42 HG LEU 42 4.342 6.201 -1.579 325 HD11 LEU 42 1HD1 LEU 42 2.408 6.397 -3.180 326 HD12 LEU 42 2HD1 LEU 42 1.740 7.619 -2.099 327 HD13 LEU 42 3HD1 LEU 42 1.986 5.971 -1.521 328 HD21 LEU 42 1HD2 LEU 42 4.009 7.791 -3.727 329 HD22 LEU 42 2HD2 LEU 42 5.523 7.659 -2.831 330 HD23 LEU 42 3HD2 LEU 42 4.419 8.997 -2.507 331 H ILE 43 HN ILE 43 3.176 8.084 2.230 332 HA ILE 43 HA ILE 43 3.312 10.619 3.100 333 HB ILE 43 HB ILE 43 2.224 8.272 4.133 334 HG12 ILE 43 2HG1 ILE 43 1.282 10.129 5.835 335 HG13 ILE 43 3HG1 ILE 43 2.010 11.192 4.635 336 HG21 ILE 43 1HG2 ILE 43 4.167 8.057 5.612 337 HG22 ILE 43 2HG2 ILE 43 3.841 9.663 6.263 338 HG23 ILE 43 3HG2 ILE 43 2.685 8.357 6.519 339 HD11 ILE 43 1HD1 ILE 43 0.401 9.086 3.447 340 HD12 ILE 43 2HD1 ILE 43 -0.514 10.130 4.535 341 HD13 ILE 43 3HD1 ILE 43 0.373 10.829 3.180 342 H LYS 44 HN LYS 44 5.721 8.183 3.638 343 HA LYS 44 HA LYS 44 7.108 9.599 5.715 344 HB2 LYS 44 2HB LYS 44 7.323 7.039 4.375 345 HB3 LYS 44 3HB LYS 44 8.900 7.804 4.531 346 HG2 LYS 44 2HG LYS 44 8.286 6.288 6.408 347 HG3 LYS 44 3HG LYS 44 8.691 7.934 6.898 348 HD2 LYS 44 2HD LYS 44 6.766 7.901 8.037 349 HD3 LYS 44 3HD LYS 44 5.974 8.063 6.468 350 HE2 LYS 44 2HE LYS 44 4.923 6.163 7.007 351 HE3 LYS 44 3HE LYS 44 6.447 5.372 6.604 352 HZ1 LYS 44 1HZ LYS 44 6.818 4.860 8.727 353 HZ2 LYS 44 2HZ LYS 44 5.185 5.212 8.990 354 HZ3 LYS 44 3HZ LYS 44 6.362 6.388 9.291 355 H GLU 45 HN GLU 45 7.572 9.115 2.233 356 HA GLU 45 HA GLU 45 9.947 10.711 2.128 357 HB2 GLU 45 2HB GLU 45 8.855 8.857 0.469 358 HB3 GLU 45 3HB GLU 45 8.398 10.341 -0.356 359 HG2 GLU 45 2HG GLU 45 11.053 9.119 0.023 360 HG3 GLU 45 3HG GLU 45 10.401 10.025 -1.341 361 H GLY 46 HN GLY 46 6.683 11.212 0.765 362 HA2 GLY 46 1HA GLY 46 5.500 13.135 0.351 363 HA3 GLY 46 2HA GLY 46 6.392 13.842 1.689 364 H LEU 47 HN LEU 47 7.134 12.794 -1.641 365 HA LEU 47 HA LEU 47 8.815 15.162 -1.958 366 HB2 LEU 47 2HB LEU 47 9.570 14.079 -4.032 367 HB3 LEU 47 3HB LEU 47 9.815 13.074 -2.605 368 HG LEU 47 HG LEU 47 7.352 12.638 -4.215 369 HD11 LEU 47 1HD1 LEU 47 9.418 12.863 -5.748 370 HD12 LEU 47 2HD1 LEU 47 8.384 11.444 -5.911 371 HD13 LEU 47 3HD1 LEU 47 9.912 11.326 -5.038 372 HD21 LEU 47 1HD2 LEU 47 7.238 10.914 -2.825 373 HD22 LEU 47 2HD2 LEU 47 8.795 11.345 -2.120 374 HD23 LEU 47 3HD2 LEU 47 8.727 10.274 -3.520 375 H GLU 48 HN GLU 48 5.822 13.779 -3.070 376 HA GLU 48 HA GLU 48 4.667 16.122 -3.912 377 HB2 GLU 48 2HB GLU 48 4.810 15.653 -6.478 378 HB3 GLU 48 3HB GLU 48 6.099 16.539 -5.678 379 HG2 GLU 48 2HG GLU 48 7.598 14.833 -5.887 380 HG3 GLU 48 3HG GLU 48 6.350 13.589 -5.894 381 H THR 49 HN THR 49 4.997 12.692 -4.248 382 HA THR 49 HA THR 49 2.863 11.837 -5.663 383 HB THR 49 HB THR 49 3.479 10.710 -2.929 384 HG1 THR 49 1HG THR 49 4.804 9.348 -4.697 385 HG21 THR 49 1HG2 THR 49 1.564 9.969 -4.732 386 HG22 THR 49 2HG2 THR 49 2.291 8.898 -3.534 387 HG23 THR 49 3HG2 THR 49 2.912 8.927 -5.185 388 H ALA 50 HN ALA 50 2.751 13.632 -2.711 389 HA ALA 50 HA ALA 50 1.047 14.403 -1.408 390 HB1 ALA 50 1HB ALA 50 0.423 15.669 -3.294 391 HB2 ALA 50 2HB ALA 50 -0.269 14.264 -4.107 392 HB3 ALA 50 3HB ALA 50 -1.069 14.947 -2.693 393 H ILE 51 HN ILE 51 1.315 11.380 -1.997 394 HA ILE 51 HA ILE 51 0.087 9.438 -1.703 395 HB ILE 51 HB ILE 51 -0.544 11.051 0.770 396 HG12 ILE 51 2HG1 ILE 51 1.323 9.750 1.747 397 HG13 ILE 51 3HG1 ILE 51 1.605 9.003 0.179 398 HG21 ILE 51 1HG2 ILE 51 -2.094 9.146 0.428 399 HG22 ILE 51 2HG2 ILE 51 -0.702 8.064 0.406 400 HG23 ILE 51 3HG2 ILE 51 -1.086 8.979 1.865 401 HD11 ILE 51 1HD1 ILE 51 1.620 11.956 0.279 402 HD12 ILE 51 2HD1 ILE 51 2.971 11.110 1.035 403 HD13 ILE 51 3HD1 ILE 51 2.606 10.843 -0.669 404 H SER 52 HN SER 52 -1.463 9.542 -3.361 405 HA SER 52 HA SER 52 -4.085 10.642 -2.634 406 HB2 SER 52 2HB SER 52 -3.982 9.615 -5.322 407 HB3 SER 52 3HB SER 52 -4.248 11.271 -4.778 408 HG SER 52 HG SER 52 -1.980 10.089 -5.763 409 H CYS 53 HN CYS 53 -5.989 9.398 -2.919 410 HA CYS 53 HA CYS 53 -6.206 7.007 -1.776 411 HB2 CYS 53 2HB CYS 53 -8.144 8.248 -2.607 412 HB3 CYS 53 3HB CYS 53 -7.723 7.823 -4.264 413 HA PRO 54 HA PRO 54 -3.901 4.068 -4.132 414 HB2 PRO 54 2HB PRO 54 -4.920 1.816 -3.010 415 HB3 PRO 54 3HB PRO 54 -3.759 2.861 -2.182 416 HG2 PRO 54 2HG PRO 54 -6.735 2.732 -1.890 417 HG3 PRO 54 3HG PRO 54 -5.493 2.875 -0.633 418 HD2 PRO 54 2HD PRO 54 -6.919 5.000 -1.520 419 HD3 PRO 54 3HD PRO 54 -5.238 5.141 -0.964 420 H ASP 55 HN ASP 55 -7.083 4.776 -4.557 421 HA ASP 55 HA ASP 55 -7.573 2.560 -6.420 422 HB2 ASP 55 2HB ASP 55 -9.236 3.857 -4.557 423 HB3 ASP 55 3HB ASP 55 -9.806 4.365 -6.144 424 H ALA 56 HN ALA 56 -6.114 3.422 -8.005 425 HA ALA 56 HA ALA 56 -6.009 5.895 -9.123 426 HB1 ALA 56 1HB ALA 56 -5.235 4.880 -11.154 427 HB2 ALA 56 2HB ALA 56 -4.633 3.935 -9.791 428 HB3 ALA 56 3HB ALA 56 -6.002 3.348 -10.735 429 H ALA 57 HN ALA 57 -8.663 3.701 -9.238 430 HA ALA 57 HA ALA 57 -10.007 5.365 -11.261 431 HB1 ALA 57 1HB ALA 57 -9.912 3.079 -11.954 432 HB2 ALA 57 2HB ALA 57 -10.534 2.527 -10.398 433 HB3 ALA 57 3HB ALA 57 -11.575 3.439 -11.491 434 H CYS 58 HN CYS 58 -9.823 6.416 -8.719 435 HA CYS 58 HA CYS 58 -12.268 5.818 -7.282 436 HB2 CYS 58 2HB CYS 58 -10.135 6.358 -6.100 437 HB3 CYS 58 3HB CYS 58 -10.232 7.991 -6.753 438 HA PRO 59 HA PRO 59 -14.707 8.812 -9.428 439 HB2 PRO 59 2HB PRO 59 -16.765 8.931 -7.661 440 HB3 PRO 59 3HB PRO 59 -16.522 7.571 -8.762 441 HG2 PRO 59 2HG PRO 59 -15.796 7.818 -5.868 442 HG3 PRO 59 3HG PRO 59 -16.526 6.448 -6.726 443 HD2 PRO 59 2HD PRO 59 -13.891 6.546 -6.111 444 HD3 PRO 59 3HD PRO 59 -14.503 5.735 -7.567 445 H LYS 60 HN LYS 60 -13.259 9.259 -6.377 446 HA LYS 60 HA LYS 60 -13.878 12.139 -6.477 447 HB2 LYS 60 2HB LYS 60 -13.473 10.418 -4.024 448 HB3 LYS 60 3HB LYS 60 -13.647 12.168 -4.006 449 HG2 LYS 60 2HG LYS 60 -15.793 10.696 -5.377 450 HG3 LYS 60 3HG LYS 60 -15.679 10.444 -3.633 451 HD2 LYS 60 2HD LYS 60 -15.362 13.210 -4.080 452 HD3 LYS 60 3HD LYS 60 -16.727 12.688 -5.070 453 HE2 LYS 60 2HE LYS 60 -18.013 12.211 -3.273 454 HE3 LYS 60 3HE LYS 60 -16.651 11.622 -2.323 455 HZ1 LYS 60 1HZ LYS 60 -15.977 13.954 -1.999 456 HZ2 LYS 60 2HZ LYS 60 -17.499 13.620 -1.342 457 HZ3 LYS 60 3HZ LYS 60 -17.376 14.460 -2.805 458 H GLN 61 HN GLN 61 -11.509 9.691 -6.406 459 HA GLN 61 HA GLN 61 -9.232 9.713 -6.004 460 HB2 GLN 61 2HB GLN 61 -9.786 11.951 -7.939 461 HB3 GLN 61 3HB GLN 61 -8.146 11.474 -7.521 462 HG2 GLN 61 2HG GLN 61 -9.822 9.221 -8.275 463 HG3 GLN 61 3HG GLN 61 -9.672 10.431 -9.548 464 HE21 GLN 61 1HE2 GLN 61 -7.400 11.181 -9.956 465 HE22 GLN 61 2HE2 GLN 61 -6.162 9.975 -9.944 466 H GLY 62 HN GLY 62 -9.927 10.518 -3.707 467 HA2 GLY 62 1HA GLY 62 -9.154 13.249 -3.125 468 HA3 GLY 62 2HA GLY 62 -9.694 12.045 -1.964 469 H HIS 63 HN HIS 63 -7.561 13.758 -1.453 470 HA HIS 63 HA HIS 63 -5.188 12.053 -1.747 471 HB2 HIS 63 2HB HIS 63 -5.542 14.988 -1.181 472 HB3 HIS 63 3HB HIS 63 -4.015 14.172 -0.862 473 HD1 HIS 63 1HD HIS 63 -5.945 15.754 -3.524 474 HD2 HIS 63 2HD HIS 63 -2.803 13.048 -3.261 475 HE1 HIS 63 1HE HIS 63 -4.903 15.710 -5.812 476 H LEU 64 HN LEU 64 -3.637 12.310 0.220 477 HA LEU 64 HA LEU 64 -5.220 11.938 2.677 478 HB2 LEU 64 2HB LEU 64 -2.747 10.507 1.735 479 HB3 LEU 64 3HB LEU 64 -3.348 10.410 3.388 480 HG LEU 64 HG LEU 64 -3.914 8.489 1.814 481 HD11 LEU 64 1HD1 LEU 64 -5.302 8.106 3.499 482 HD12 LEU 64 2HD1 LEU 64 -6.525 9.047 2.647 483 HD13 LEU 64 3HD1 LEU 64 -5.469 9.832 3.820 484 HD21 LEU 64 1HD2 LEU 64 -6.106 10.283 0.844 485 HD22 LEU 64 2HD2 LEU 64 -5.563 8.735 0.197 486 HD23 LEU 64 3HD2 LEU 64 -4.573 10.178 -0.022 487 H GLN 65 HN GLN 65 -3.974 12.322 4.700 488 HA GLN 65 HA GLN 65 -2.409 14.768 4.408 489 HB2 GLN 65 2HB GLN 65 -2.910 13.894 7.137 490 HB3 GLN 65 3HB GLN 65 -3.318 15.414 6.353 491 HG2 GLN 65 2HG GLN 65 -5.388 14.598 6.905 492 HG3 GLN 65 3HG GLN 65 -5.213 14.035 5.242 493 HE21 GLN 65 1HE2 GLN 65 -3.170 12.055 6.286 494 HE22 GLN 65 2HE2 GLN 65 -4.127 10.766 6.925 495 H GLU 66 HN GLU 66 -0.496 15.087 5.779 496 HA GLU 66 HA GLU 66 1.191 12.712 5.698 497 HB2 GLU 66 2HB GLU 66 1.638 15.637 5.700 498 HB3 GLU 66 3HB GLU 66 2.860 14.672 6.517 499 HG2 GLU 66 2HG GLU 66 3.726 13.971 4.599 500 HG3 GLU 66 3HG GLU 66 2.143 13.557 3.944 501 H ASN 67 HN ASN 67 -0.184 14.969 7.999 502 HA ASN 67 HA ASN 67 1.305 13.902 10.230 503 HB2 ASN 67 2HB ASN 67 -1.115 15.505 10.776 504 HB3 ASN 67 3HB ASN 67 0.522 15.682 11.402 505 HD21 ASN 67 1HD2 ASN 67 -1.691 16.529 8.878 506 HD22 ASN 67 2HD2 ASN 67 -0.727 17.774 8.167 507 H GLU 68 HN GLU 68 -2.089 13.854 9.164 508 HA GLU 68 HA GLU 68 -3.096 12.255 11.221 509 HB2 GLU 68 2HB GLU 68 -4.015 13.256 8.678 510 HB3 GLU 68 3HB GLU 68 -4.537 11.592 8.898 511 HG2 GLU 68 2HG GLU 68 -4.912 13.371 11.213 512 HG3 GLU 68 3HG GLU 68 -5.897 13.725 9.795 513 H ILE 69 HN ILE 69 -2.227 11.231 7.914 514 HA ILE 69 HA ILE 69 -2.529 8.513 8.220 515 HB ILE 69 HB ILE 69 -0.594 10.079 6.532 516 HG12 ILE 69 2HG1 ILE 69 -3.335 9.157 6.294 517 HG13 ILE 69 3HG1 ILE 69 -2.456 10.315 5.301 518 HG21 ILE 69 1HG2 ILE 69 -1.011 7.092 6.542 519 HG22 ILE 69 2HG2 ILE 69 -0.112 7.991 5.320 520 HG23 ILE 69 3HG2 ILE 69 0.466 7.949 6.986 521 HD11 ILE 69 1HD1 ILE 69 -1.525 8.496 3.988 522 HD12 ILE 69 2HD1 ILE 69 -2.371 7.322 4.998 523 HD13 ILE 69 3HD1 ILE 69 -3.287 8.442 3.989 524 H GLU 70 HN GLU 70 0.568 10.265 8.519 525 HA GLU 70 HA GLU 70 2.094 8.144 9.450 526 HB2 GLU 70 2HB GLU 70 3.740 9.696 9.949 527 HB3 GLU 70 3HB GLU 70 2.774 10.563 8.763 528 HG2 GLU 70 2HG GLU 70 1.713 11.854 10.456 529 HG3 GLU 70 3HG GLU 70 2.419 10.866 11.733 530 H CYS 71 HN CYS 71 -0.347 9.941 11.057 531 HA CYS 71 HA CYS 71 0.522 9.413 13.733 532 HB2 CYS 71 2HB CYS 71 -0.995 10.999 14.148 533 HB3 CYS 71 3HB CYS 71 -1.532 10.938 12.474 534 HG CYS 71 HG CYS 71 -2.732 8.744 14.792 535 H MET 72 HN MET 72 -1.279 7.692 11.343 536 HA MET 72 HA MET 72 -2.359 5.813 13.293 537 HB2 MET 72 2HB MET 72 -3.883 5.240 11.725 538 HB3 MET 72 3HB MET 72 -3.401 6.757 10.978 539 HG2 MET 72 2HG MET 72 -1.666 5.385 9.713 540 HG3 MET 72 3HG MET 72 -2.570 3.972 10.253 541 HE1 MET 72 1HE MET 72 -1.856 5.017 7.288 542 HE2 MET 72 2HE MET 72 -2.748 3.501 7.412 543 HE3 MET 72 3HE MET 72 -3.339 4.789 6.361 544 H VAL 73 HN VAL 73 0.567 6.223 12.111 545 HA VAL 73 HA VAL 73 1.136 3.347 12.085 546 HB VAL 73 HB VAL 73 2.868 3.783 10.284 547 HG11 VAL 73 1HG1 VAL 73 0.759 2.573 9.894 548 HG12 VAL 73 2HG1 VAL 73 -0.026 4.102 9.493 549 HG13 VAL 73 3HG1 VAL 73 1.279 3.487 8.478 550 HG21 VAL 73 1HG2 VAL 73 1.550 6.412 10.416 551 HG22 VAL 73 2HG2 VAL 73 3.181 5.983 9.901 552 HG23 VAL 73 3HG2 VAL 73 1.824 5.779 8.793 553 H ALA 74 HN ALA 74 2.740 6.529 11.893 554 HA ALA 74 HA ALA 74 4.801 5.538 13.731 555 HB1 ALA 74 1HB ALA 74 6.104 7.500 13.020 556 HB2 ALA 74 2HB ALA 74 5.645 6.470 11.664 557 HB3 ALA 74 3HB ALA 74 4.778 7.977 11.960 558 H ALA 75 HN ALA 75 2.226 6.154 14.763 559 HA ALA 75 HA ALA 75 1.737 8.630 15.779 560 HB1 ALA 75 1HB ALA 75 0.427 6.481 16.134 561 HB2 ALA 75 2HB ALA 75 1.495 6.185 17.506 562 HB3 ALA 75 3HB ALA 75 0.471 7.620 17.480 Start of MODEL 11 1 H1 ALA 1 HN ALA 1 -24.121 -8.805 7.939 2 HA ALA 1 HA ALA 1 -22.429 -7.408 8.545 3 HB1 ALA 1 1HB ALA 1 -23.851 -7.962 10.860 4 HB2 ALA 1 2HB ALA 1 -22.162 -8.192 11.319 5 HB3 ALA 1 3HB ALA 1 -22.687 -6.658 10.624 6 H LEU 2 HN LEU 2 -22.119 -10.638 9.969 7 HA LEU 2 HA LEU 2 -19.208 -10.485 9.608 8 HB2 LEU 2 2HB LEU 2 -20.736 -11.403 11.717 9 HB3 LEU 2 3HB LEU 2 -20.236 -12.881 10.898 10 HG LEU 2 HG LEU 2 -18.461 -10.762 12.101 11 HD11 LEU 2 1HD1 LEU 2 -17.687 -12.639 13.489 12 HD12 LEU 2 2HD1 LEU 2 -18.896 -13.677 12.735 13 HD13 LEU 2 3HD1 LEU 2 -19.403 -12.300 13.714 14 HD21 LEU 2 1HD2 LEU 2 -17.746 -11.844 9.843 15 HD22 LEU 2 2HD2 LEU 2 -17.435 -13.267 10.837 16 HD23 LEU 2 3HD2 LEU 2 -16.595 -11.753 11.177 17 H ASP 3 HN ASP 3 -22.077 -12.114 8.530 18 HA ASP 3 HA ASP 3 -20.965 -14.397 7.364 19 HB2 ASP 3 2HB ASP 3 -23.492 -12.996 7.289 20 HB3 ASP 3 3HB ASP 3 -23.069 -13.592 5.686 21 HA PRO 4 HA PRO 4 -20.551 -11.965 3.225 22 HB2 PRO 4 2HB PRO 4 -21.031 -9.294 3.272 23 HB3 PRO 4 3HB PRO 4 -22.296 -10.492 2.972 24 HG2 PRO 4 2HG PRO 4 -21.615 -9.048 5.505 25 HG3 PRO 4 3HG PRO 4 -23.207 -9.388 4.805 26 HD2 PRO 4 2HD PRO 4 -22.162 -10.856 6.826 27 HD3 PRO 4 3HD PRO 4 -23.232 -11.554 5.593 28 H LEU 5 HN LEU 5 -18.456 -11.769 2.772 29 HA LEU 5 HA LEU 5 -16.813 -9.982 4.442 30 HB2 LEU 5 2HB LEU 5 -14.924 -11.533 3.563 31 HB3 LEU 5 3HB LEU 5 -15.939 -12.052 4.908 32 HG LEU 5 HG LEU 5 -17.320 -13.293 3.137 33 HD11 LEU 5 1HD1 LEU 5 -16.721 -12.835 1.035 34 HD12 LEU 5 2HD1 LEU 5 -15.375 -13.935 1.326 35 HD13 LEU 5 3HD1 LEU 5 -15.150 -12.198 1.520 36 HD21 LEU 5 1HD2 LEU 5 -15.971 -14.462 4.748 37 HD22 LEU 5 2HD2 LEU 5 -14.504 -14.124 3.828 38 HD23 LEU 5 3HD2 LEU 5 -15.735 -15.202 3.164 39 H VAL 6 HN VAL 6 -15.925 -8.304 3.443 40 HA VAL 6 HA VAL 6 -14.509 -8.157 1.156 41 HB VAL 6 HB VAL 6 -17.343 -8.466 0.506 42 HG11 VAL 6 1HG1 VAL 6 -17.434 -6.143 0.165 43 HG12 VAL 6 2HG1 VAL 6 -15.813 -6.097 -0.531 44 HG13 VAL 6 3HG1 VAL 6 -17.140 -6.828 -1.433 45 HG21 VAL 6 1HG2 VAL 6 -14.876 -9.395 -0.384 46 HG22 VAL 6 2HG2 VAL 6 -16.454 -9.739 -1.091 47 HG23 VAL 6 3HG2 VAL 6 -15.486 -8.400 -1.706 48 H SER 7 HN SER 7 -13.818 -6.091 0.726 49 HA SER 7 HA SER 7 -15.226 -3.730 1.264 50 HB2 SER 7 2HB SER 7 -14.198 -4.969 3.608 51 HB3 SER 7 3HB SER 7 -13.225 -3.532 3.298 52 HG SER 7 HG SER 7 -15.476 -2.561 2.948 53 H CYS 8 HN CYS 8 -11.873 -4.574 2.105 54 HA CYS 8 HA CYS 8 -10.733 -2.407 0.740 55 HB2 CYS 8 2HB CYS 8 -9.672 -3.844 2.552 56 HB3 CYS 8 3HB CYS 8 -9.334 -5.023 1.290 57 H LYS 9 HN LYS 9 -9.319 -2.462 -1.141 58 HA LYS 9 HA LYS 9 -10.187 -4.444 -3.143 59 HB2 LYS 9 2HB LYS 9 -9.294 -2.009 -4.375 60 HB3 LYS 9 3HB LYS 9 -10.856 -2.805 -4.503 61 HG2 LYS 9 2HG LYS 9 -10.186 -1.096 -2.139 62 HG3 LYS 9 3HG LYS 9 -10.775 -0.390 -3.645 63 HD2 LYS 9 2HD LYS 9 -12.373 -2.663 -2.820 64 HD3 LYS 9 3HD LYS 9 -12.318 -1.413 -1.575 65 HE2 LYS 9 2HE LYS 9 -13.013 0.254 -3.234 66 HE3 LYS 9 3HE LYS 9 -13.076 -1.004 -4.467 67 HZ1 LYS 9 1HZ LYS 9 -15.208 -0.275 -3.157 68 HZ2 LYS 9 2HZ LYS 9 -14.636 -1.390 -2.020 69 HZ3 LYS 9 3HZ LYS 9 -14.969 -1.890 -3.602 70 H LEU 10 HN LEU 10 -7.578 -2.447 -1.908 71 HA LEU 10 HA LEU 10 -5.585 -2.936 -3.749 72 HB2 LEU 10 2HB LEU 10 -5.530 -2.547 -0.779 73 HB3 LEU 10 3HB LEU 10 -4.043 -2.828 -1.683 74 HG LEU 10 HG LEU 10 -5.905 -0.592 -2.418 75 HD11 LEU 10 1HD1 LEU 10 -5.135 -0.615 0.064 76 HD12 LEU 10 2HD1 LEU 10 -4.977 0.861 -0.887 77 HD13 LEU 10 3HD1 LEU 10 -3.569 -0.161 -0.609 78 HD21 LEU 10 1HD2 LEU 10 -3.326 0.197 -2.842 79 HD22 LEU 10 2HD2 LEU 10 -4.385 -0.512 -4.061 80 HD23 LEU 10 3HD2 LEU 10 -3.243 -1.531 -3.184 81 H CYS 11 HN CYS 11 -6.399 -4.887 -0.885 82 HA CYS 11 HA CYS 11 -4.672 -7.031 -1.877 83 HB2 CYS 11 2HB CYS 11 -4.950 -8.038 0.328 84 HB3 CYS 11 3HB CYS 11 -4.437 -6.362 0.484 85 H LEU 12 HN LEU 12 -7.874 -6.080 -2.015 86 HA LEU 12 HA LEU 12 -9.797 -7.084 -2.697 87 HB2 LEU 12 2HB LEU 12 -7.852 -9.196 -3.612 88 HB3 LEU 12 3HB LEU 12 -9.564 -9.176 -4.026 89 HG LEU 12 HG LEU 12 -7.669 -6.951 -4.758 90 HD11 LEU 12 1HD1 LEU 12 -8.590 -8.987 -6.726 91 HD12 LEU 12 2HD1 LEU 12 -7.207 -9.352 -5.696 92 HD13 LEU 12 3HD1 LEU 12 -7.167 -7.945 -6.759 93 HD21 LEU 12 1HD2 LEU 12 -9.736 -7.114 -6.585 94 HD22 LEU 12 2HD2 LEU 12 -9.594 -5.950 -5.267 95 HD23 LEU 12 3HD2 LEU 12 -10.518 -7.436 -5.037 96 H GLY 13 HN GLY 13 -8.681 -7.611 0.003 97 HA2 GLY 13 1HA GLY 13 -9.473 -10.321 0.634 98 HA3 GLY 13 2HA GLY 13 -8.920 -9.101 1.772 99 H GLU 14 HN GLU 14 -10.384 -8.116 3.026 100 HA GLU 14 HA GLU 14 -13.017 -7.494 2.319 101 HB2 GLU 14 2HB GLU 14 -14.027 -9.237 4.024 102 HB3 GLU 14 3HB GLU 14 -13.793 -9.653 2.333 103 HG2 GLU 14 2HG GLU 14 -12.418 -11.301 2.860 104 HG3 GLU 14 3HG GLU 14 -11.417 -10.229 3.837 105 H TYR 15 HN TYR 15 -12.247 -9.045 5.382 106 HA TYR 15 HA TYR 15 -12.095 -8.249 7.507 107 HB2 TYR 15 2HB TYR 15 -11.127 -5.644 6.343 108 HB3 TYR 15 3HB TYR 15 -10.724 -6.357 7.900 109 HD1 TYR 15 1HD TYR 15 -10.174 -6.606 4.257 110 HD2 TYR 15 2HD TYR 15 -8.949 -7.935 8.110 111 HE1 TYR 15 1HE TYR 15 -8.170 -7.627 3.262 112 HE2 TYR 15 2HE TYR 15 -6.941 -8.957 7.125 113 HH TYR 15 HH TYR 15 -6.170 -9.791 4.968 114 HA PRO 16 HA PRO 16 -15.836 -6.098 8.330 115 HB2 PRO 16 2HB PRO 16 -15.391 -5.314 10.892 116 HB3 PRO 16 3HB PRO 16 -15.725 -6.991 10.445 117 HG2 PRO 16 2HG PRO 16 -13.100 -5.668 11.008 118 HG3 PRO 16 3HG PRO 16 -13.685 -7.258 11.529 119 HD2 PRO 16 2HD PRO 16 -11.983 -6.941 9.447 120 HD3 PRO 16 3HD PRO 16 -13.190 -8.242 9.503 121 H VAL 17 HN VAL 17 -16.368 -3.940 9.817 122 HA VAL 17 HA VAL 17 -15.096 -1.794 8.308 123 HB VAL 17 HB VAL 17 -17.720 -2.237 9.208 124 HG11 VAL 17 1HG1 VAL 17 -16.625 0.268 10.471 125 HG12 VAL 17 2HG1 VAL 17 -18.264 -0.375 10.588 126 HG13 VAL 17 3HG1 VAL 17 -16.925 -1.224 11.363 127 HG21 VAL 17 1HG2 VAL 17 -17.224 -1.196 7.124 128 HG22 VAL 17 2HG2 VAL 17 -18.122 -0.027 8.090 129 HG23 VAL 17 3HG2 VAL 17 -16.374 0.129 7.918 130 H GLU 18 HN GLU 18 -14.942 -3.219 11.393 131 HA GLU 18 HA GLU 18 -13.913 -0.809 12.678 132 HB2 GLU 18 2HB GLU 18 -14.263 -3.584 13.825 133 HB3 GLU 18 3HB GLU 18 -13.902 -2.118 14.726 134 HG2 GLU 18 2HG GLU 18 -16.402 -2.426 13.096 135 HG3 GLU 18 3HG GLU 18 -16.295 -2.945 14.777 136 H GLN 19 HN GLN 19 -12.635 -2.811 10.573 137 HA GLN 19 HA GLN 19 -9.998 -2.803 11.880 138 HB2 GLN 19 2HB GLN 19 -11.334 -4.996 10.329 139 HB3 GLN 19 3HB GLN 19 -9.580 -4.881 10.371 140 HG2 GLN 19 2HG GLN 19 -10.395 -4.643 13.027 141 HG3 GLN 19 3HG GLN 19 -11.398 -5.920 12.339 142 HE21 GLN 19 1HE2 GLN 19 -10.460 -7.826 11.686 143 HE22 GLN 19 2HE2 GLN 19 -8.829 -8.248 12.064 144 H MET 20 HN MET 20 -11.396 -0.972 9.960 145 HA MET 20 HA MET 20 -9.273 -0.953 7.929 146 HB2 MET 20 2HB MET 20 -11.881 0.078 7.030 147 HB3 MET 20 3HB MET 20 -10.692 -0.889 6.167 148 HG2 MET 20 2HG MET 20 -11.544 -2.770 7.805 149 HG3 MET 20 3HG MET 20 -12.979 -1.747 7.851 150 HE1 MET 20 1HE MET 20 -11.190 -3.942 4.281 151 HE2 MET 20 2HE MET 20 -10.757 -2.233 4.347 152 HE3 MET 20 3HE MET 20 -10.348 -3.300 5.692 153 H THR 21 HN THR 21 -9.403 1.263 6.704 154 HA THR 21 HA THR 21 -10.097 3.435 8.543 155 HB THR 21 HB THR 21 -7.354 2.957 7.384 156 HG1 THR 21 1HG THR 21 -6.757 3.091 9.553 157 HG21 THR 21 1HG2 THR 21 -7.882 5.265 6.919 158 HG22 THR 21 2HG2 THR 21 -6.771 5.201 8.288 159 HG23 THR 21 3HG2 THR 21 -8.488 5.496 8.559 160 H THR 22 HN THR 22 -10.858 5.224 7.553 161 HA THR 22 HA THR 22 -11.345 5.097 4.718 162 HB THR 22 HB THR 22 -12.060 7.190 6.778 163 HG1 THR 22 1HG THR 22 -13.499 5.655 7.129 164 HG21 THR 22 1HG2 THR 22 -13.580 8.079 5.012 165 HG22 THR 22 2HG2 THR 22 -12.781 7.018 3.851 166 HG23 THR 22 3HG2 THR 22 -11.869 8.299 4.649 167 H ILE 23 HN ILE 23 -10.865 6.881 3.253 168 HA ILE 23 HA ILE 23 -8.124 7.588 3.313 169 HB ILE 23 HB ILE 23 -10.404 8.460 1.551 170 HG12 ILE 23 2HG1 ILE 23 -9.683 6.204 1.154 171 HG13 ILE 23 3HG1 ILE 23 -9.050 7.201 -0.151 172 HG21 ILE 23 1HG2 ILE 23 -7.848 9.753 1.929 173 HG22 ILE 23 2HG2 ILE 23 -8.041 9.173 0.274 174 HG23 ILE 23 3HG2 ILE 23 -9.238 10.264 0.971 175 HD11 ILE 23 1HD1 ILE 23 -6.986 7.292 1.580 176 HD12 ILE 23 2HD1 ILE 23 -7.641 5.692 1.931 177 HD13 ILE 23 3HD1 ILE 23 -7.149 6.102 0.287 178 H ALA 24 HN ALA 24 -10.369 10.131 2.535 179 HA ALA 24 HA ALA 24 -10.614 11.635 4.762 180 HB1 ALA 24 1HB ALA 24 -8.435 11.782 5.425 181 HB2 ALA 24 2HB ALA 24 -7.811 11.723 3.775 182 HB3 ALA 24 3HB ALA 24 -8.531 13.211 4.393 183 H GLN 25 HN GLN 25 -11.706 11.276 2.139 184 HA GLN 25 HA GLN 25 -12.549 13.862 1.552 185 HB2 GLN 25 2HB GLN 25 -10.001 13.199 0.383 186 HB3 GLN 25 3HB GLN 25 -11.197 13.445 -0.883 187 HG2 GLN 25 2HG GLN 25 -10.382 15.379 1.269 188 HG3 GLN 25 3HG GLN 25 -10.123 15.523 -0.469 189 HE21 GLN 25 1HE2 GLN 25 -12.357 15.879 2.134 190 HE22 GLN 25 2HE2 GLN 25 -13.617 16.642 1.232 191 H CYS 26 HN CYS 26 -11.718 10.786 -0.021 192 HA CYS 26 HA CYS 26 -14.155 10.886 -1.606 193 HB2 CYS 26 2HB CYS 26 -13.301 8.797 -2.622 194 HB3 CYS 26 3HB CYS 26 -12.133 10.111 -2.710 195 H GLN 27 HN GLN 27 -13.035 9.562 1.342 196 HA GLN 27 HA GLN 27 -14.034 8.287 2.940 197 HB2 GLN 27 2HB GLN 27 -16.509 8.640 1.240 198 HB3 GLN 27 3HB GLN 27 -16.479 8.050 2.896 199 HG2 GLN 27 2HG GLN 27 -15.601 10.788 2.005 200 HG3 GLN 27 3HG GLN 27 -17.151 10.398 2.750 201 HE21 GLN 27 1HE2 GLN 27 -13.668 10.348 3.275 202 HE22 GLN 27 2HE2 GLN 27 -13.740 10.517 4.993 203 H CYS 28 HN CYS 28 -12.534 6.803 1.443 204 HA CYS 28 HA CYS 28 -14.118 4.578 0.379 205 HB2 CYS 28 2HB CYS 28 -11.229 5.380 0.083 206 HB3 CYS 28 3HB CYS 28 -11.794 3.780 -0.384 207 H ILE 29 HN ILE 29 -12.638 2.415 0.709 208 HA ILE 29 HA ILE 29 -12.070 2.211 3.589 209 HB ILE 29 HB ILE 29 -14.322 1.143 2.478 210 HG12 ILE 29 2HG1 ILE 29 -12.832 -0.160 4.755 211 HG13 ILE 29 3HG1 ILE 29 -13.609 1.411 4.904 212 HG21 ILE 29 1HG2 ILE 29 -13.016 -0.409 1.112 213 HG22 ILE 29 2HG2 ILE 29 -12.272 -1.064 2.571 214 HG23 ILE 29 3HG2 ILE 29 -14.003 -1.266 2.298 215 HD11 ILE 29 1HD1 ILE 29 -15.500 -0.380 3.804 216 HD12 ILE 29 2HD1 ILE 29 -14.744 -1.165 5.192 217 HD13 ILE 29 3HD1 ILE 29 -15.514 0.410 5.381 218 H PHE 30 HN PHE 30 -10.163 1.325 4.029 219 HA PHE 30 HA PHE 30 -9.032 -0.721 2.318 220 HB2 PHE 30 2HB PHE 30 -7.542 1.871 2.784 221 HB3 PHE 30 3HB PHE 30 -6.930 0.460 1.926 222 HD1 PHE 30 1HD PHE 30 -8.641 3.552 1.633 223 HD2 PHE 30 2HD PHE 30 -8.221 -0.282 -0.168 224 HE1 PHE 30 1HE PHE 30 -9.551 4.445 -0.472 225 HE2 PHE 30 2HE PHE 30 -9.129 0.604 -2.276 226 HZ PHE 30 HZ PHE 30 -9.795 2.971 -2.430 227 H CYS 31 HN CYS 31 -8.162 -2.219 3.580 228 HA CYS 31 HA CYS 31 -8.006 -2.033 6.353 229 HB2 CYS 31 2HB CYS 31 -6.965 -4.166 6.318 230 HB3 CYS 31 3HB CYS 31 -8.046 -4.138 4.929 231 H THR 32 HN THR 32 -6.570 -1.194 7.718 232 HA THR 32 HA THR 32 -4.668 0.602 7.236 233 HB THR 32 HB THR 32 -3.971 -1.504 9.257 234 HG1 THR 32 1HG THR 32 -5.911 0.484 9.792 235 HG21 THR 32 1HG2 THR 32 -4.070 1.385 9.888 236 HG22 THR 32 2HG2 THR 32 -2.845 0.880 8.723 237 HG23 THR 32 3HG2 THR 32 -2.876 0.166 10.335 238 H LEU 33 HN LEU 33 -4.028 -2.897 7.252 239 HA LEU 33 HA LEU 33 -1.363 -3.039 6.850 240 HB2 LEU 33 2HB LEU 33 -3.653 -4.617 5.856 241 HB3 LEU 33 3HB LEU 33 -2.113 -4.879 5.039 242 HG LEU 33 HG LEU 33 -1.317 -5.121 7.594 243 HD11 LEU 33 1HD1 LEU 33 -4.220 -5.374 7.627 244 HD12 LEU 33 2HD1 LEU 33 -3.082 -5.165 8.959 245 HD13 LEU 33 3HD1 LEU 33 -3.385 -6.774 8.303 246 HD21 LEU 33 1HD2 LEU 33 -2.017 -7.665 7.138 247 HD22 LEU 33 2HD2 LEU 33 -0.674 -6.873 6.315 248 HD23 LEU 33 3HD2 LEU 33 -2.241 -7.009 5.517 249 H CYS 34 HN CYS 34 -3.640 -2.854 4.106 250 HA CYS 34 HA CYS 34 -1.623 -2.270 2.207 251 HB2 CYS 34 2HB CYS 34 -4.583 -1.688 1.990 252 HB3 CYS 34 3HB CYS 34 -3.441 -1.853 0.661 253 H LEU 35 HN LEU 35 -4.243 -0.167 3.416 254 HA LEU 35 HA LEU 35 -3.416 2.213 2.329 255 HB2 LEU 35 2HB LEU 35 -5.379 1.447 4.057 256 HB3 LEU 35 3HB LEU 35 -4.369 2.452 5.094 257 HG LEU 35 HG LEU 35 -5.646 3.320 2.500 258 HD11 LEU 35 1HD1 LEU 35 -6.968 2.924 4.788 259 HD12 LEU 35 2HD1 LEU 35 -7.345 4.239 3.674 260 HD13 LEU 35 3HD1 LEU 35 -6.348 4.547 5.094 261 HD21 LEU 35 1HD2 LEU 35 -3.879 4.739 2.573 262 HD22 LEU 35 2HD2 LEU 35 -3.651 4.547 4.312 263 HD23 LEU 35 3HD2 LEU 35 -4.933 5.594 3.699 264 H LYS 36 HN LYS 36 -1.876 0.391 4.774 265 HA LYS 36 HA LYS 36 -0.330 2.653 5.767 266 HB2 LYS 36 2HB LYS 36 -1.062 1.060 7.426 267 HB3 LYS 36 3HB LYS 36 -0.355 -0.272 6.521 268 HG2 LYS 36 2HG LYS 36 1.653 1.693 7.077 269 HG3 LYS 36 3HG LYS 36 0.822 1.238 8.566 270 HD2 LYS 36 2HD LYS 36 1.153 -1.193 7.640 271 HD3 LYS 36 3HD LYS 36 2.445 -0.438 6.706 272 HE2 LYS 36 2HE LYS 36 3.714 -0.808 8.513 273 HE3 LYS 36 3HE LYS 36 2.876 0.580 9.205 274 HZ1 LYS 36 1HZ LYS 36 2.682 -1.108 10.787 275 HZ2 LYS 36 2HZ LYS 36 2.321 -2.293 9.636 276 HZ3 LYS 36 3HZ LYS 36 1.179 -1.102 10.008 277 H GLN 37 HN GLN 37 0.407 -0.568 4.418 278 HA GLN 37 HA GLN 37 3.115 -0.159 3.968 279 HB2 GLN 37 2HB GLN 37 1.232 -2.167 3.406 280 HB3 GLN 37 3HB GLN 37 1.971 -1.767 1.862 281 HG2 GLN 37 2HG GLN 37 4.046 -2.487 2.507 282 HG3 GLN 37 3HG GLN 37 3.729 -2.212 4.219 283 HE21 GLN 37 1HE2 GLN 37 1.775 -3.978 1.876 284 HE22 GLN 37 2HE2 GLN 37 1.886 -5.510 2.666 285 H TYR 38 HN TYR 38 0.484 1.323 2.452 286 HA TYR 38 HA TYR 38 1.951 1.909 -0.003 287 HB2 TYR 38 2HB TYR 38 -0.150 1.702 -0.786 288 HB3 TYR 38 3HB TYR 38 -0.860 1.911 0.811 289 HD1 TYR 38 1HD TYR 38 -2.355 3.651 0.942 290 HD2 TYR 38 2HD TYR 38 1.032 4.065 -1.600 291 HE1 TYR 38 1HE TYR 38 -3.109 5.907 0.316 292 HE2 TYR 38 2HE TYR 38 0.288 6.323 -2.232 293 HH TYR 38 HH TYR 38 -2.818 7.593 -1.188 294 H VAL 39 HN VAL 39 0.301 3.701 2.599 295 HA VAL 39 HA VAL 39 1.409 6.215 1.801 296 HB VAL 39 HB VAL 39 0.376 7.139 3.762 297 HG11 VAL 39 1HG1 VAL 39 -1.189 6.748 2.031 298 HG12 VAL 39 2HG1 VAL 39 -1.280 5.026 2.402 299 HG13 VAL 39 3HG1 VAL 39 -1.962 6.208 3.521 300 HG21 VAL 39 1HG2 VAL 39 0.991 5.595 5.457 301 HG22 VAL 39 2HG2 VAL 39 -0.771 5.608 5.402 302 HG23 VAL 39 3HG2 VAL 39 0.124 4.278 4.667 303 H GLU 40 HN GLU 40 1.998 4.020 4.543 304 HA GLU 40 HA GLU 40 3.857 5.309 5.995 305 HB2 GLU 40 2HB GLU 40 3.020 2.835 6.103 306 HB3 GLU 40 3HB GLU 40 4.475 2.492 5.177 307 HG2 GLU 40 2HG GLU 40 5.056 4.182 7.439 308 HG3 GLU 40 3HG GLU 40 4.247 2.697 7.936 309 H LEU 41 HN LEU 41 4.393 3.863 2.832 310 HA LEU 41 HA LEU 41 7.215 4.318 2.818 311 HB2 LEU 41 2HB LEU 41 5.271 3.735 0.591 312 HB3 LEU 41 3HB LEU 41 7.020 3.811 0.390 313 HG LEU 41 HG LEU 41 5.341 1.711 1.670 314 HD11 LEU 41 1HD1 LEU 41 6.433 1.740 -0.697 315 HD12 LEU 41 2HD1 LEU 41 6.481 0.274 0.282 316 HD13 LEU 41 3HD1 LEU 41 7.900 1.317 0.187 317 HD21 LEU 41 1HD2 LEU 41 8.141 2.446 2.477 318 HD22 LEU 41 2HD2 LEU 41 7.492 0.819 2.683 319 HD23 LEU 41 3HD2 LEU 41 6.735 2.183 3.508 320 H LEU 42 HN LEU 42 4.393 6.044 1.598 321 HA LEU 42 HA LEU 42 6.015 8.102 0.368 322 HB2 LEU 42 2HB LEU 42 3.050 7.733 0.707 323 HB3 LEU 42 3HB LEU 42 3.753 9.182 -0.009 324 HG LEU 42 HG LEU 42 4.377 6.485 -1.149 325 HD11 LEU 42 1HD1 LEU 42 1.883 8.106 -1.599 326 HD12 LEU 42 2HD1 LEU 42 2.007 6.422 -1.093 327 HD13 LEU 42 3HD1 LEU 42 2.467 6.886 -2.731 328 HD21 LEU 42 1HD2 LEU 42 4.252 8.097 -3.229 329 HD22 LEU 42 2HD2 LEU 42 5.690 8.027 -2.210 330 HD23 LEU 42 3HD2 LEU 42 4.522 9.332 -1.999 331 H ILE 43 HN ILE 43 3.443 8.164 2.843 332 HA ILE 43 HA ILE 43 3.627 10.665 3.804 333 HB ILE 43 HB ILE 43 2.787 8.159 4.905 334 HG12 ILE 43 2HG1 ILE 43 1.327 9.761 6.266 335 HG13 ILE 43 3HG1 ILE 43 2.154 11.063 5.418 336 HG21 ILE 43 1HG2 ILE 43 4.605 8.292 6.461 337 HG22 ILE 43 2HG2 ILE 43 4.235 9.978 6.820 338 HG23 ILE 43 3HG2 ILE 43 3.116 8.706 7.310 339 HD11 ILE 43 1HD1 ILE 43 -0.132 9.831 4.594 340 HD12 ILE 43 2HD1 ILE 43 0.961 10.754 3.563 341 HD13 ILE 43 3HD1 ILE 43 1.103 8.999 3.649 342 H LYS 44 HN LYS 44 6.069 8.218 4.094 343 HA LYS 44 HA LYS 44 7.580 9.590 6.125 344 HB2 LYS 44 2HB LYS 44 7.660 7.030 4.803 345 HB3 LYS 44 3HB LYS 44 9.257 7.769 4.782 346 HG2 LYS 44 2HG LYS 44 8.864 6.305 6.734 347 HG3 LYS 44 3HG LYS 44 9.261 7.968 7.171 348 HD2 LYS 44 2HD LYS 44 7.472 7.738 8.534 349 HD3 LYS 44 3HD LYS 44 6.576 8.141 7.068 350 HE2 LYS 44 2HE LYS 44 5.584 6.151 7.071 351 HE3 LYS 44 3HE LYS 44 7.142 5.329 7.127 352 HZ1 LYS 44 1HZ LYS 44 5.234 5.722 9.207 353 HZ2 LYS 44 2HZ LYS 44 6.761 6.286 9.665 354 HZ3 LYS 44 3HZ LYS 44 6.569 4.684 9.158 355 H GLU 45 HN GLU 45 7.815 9.144 2.617 356 HA GLU 45 HA GLU 45 10.197 10.737 2.401 357 HB2 GLU 45 2HB GLU 45 8.813 8.930 0.750 358 HB3 GLU 45 3HB GLU 45 8.758 10.475 -0.086 359 HG2 GLU 45 2HG GLU 45 10.740 9.844 -0.899 360 HG3 GLU 45 3HG GLU 45 11.355 10.401 0.656 361 H GLY 46 HN GLY 46 6.914 11.190 1.063 362 HA2 GLY 46 1HA GLY 46 5.687 13.093 0.690 363 HA3 GLY 46 2HA GLY 46 6.600 13.821 2.004 364 H LEU 47 HN LEU 47 7.072 12.863 -1.398 365 HA LEU 47 HA LEU 47 8.836 15.174 -1.749 366 HB2 LEU 47 2HB LEU 47 9.245 14.081 -4.008 367 HB3 LEU 47 3HB LEU 47 9.859 13.251 -2.581 368 HG LEU 47 HG LEU 47 7.203 12.466 -3.699 369 HD11 LEU 47 1HD1 LEU 47 9.737 11.232 -4.709 370 HD12 LEU 47 2HD1 LEU 47 8.999 12.604 -5.533 371 HD13 LEU 47 3HD1 LEU 47 8.100 11.098 -5.351 372 HD21 LEU 47 1HD2 LEU 47 9.157 11.460 -1.790 373 HD22 LEU 47 2HD2 LEU 47 8.640 10.240 -2.955 374 HD23 LEU 47 3HD2 LEU 47 7.443 11.079 -1.967 375 H GLU 48 HN GLU 48 5.757 13.874 -2.746 376 HA GLU 48 HA GLU 48 4.545 16.226 -3.395 377 HB2 GLU 48 2HB GLU 48 4.641 15.981 -5.999 378 HB3 GLU 48 3HB GLU 48 5.914 16.844 -5.146 379 HG2 GLU 48 2HG GLU 48 7.448 15.136 -5.436 380 HG3 GLU 48 3HG GLU 48 6.198 13.928 -5.725 381 H THR 49 HN THR 49 4.941 12.849 -3.996 382 HA THR 49 HA THR 49 2.877 11.988 -5.461 383 HB THR 49 HB THR 49 3.455 10.865 -2.713 384 HG1 THR 49 1HG THR 49 4.652 9.482 -4.626 385 HG21 THR 49 1HG2 THR 49 2.640 9.234 -5.076 386 HG22 THR 49 2HG2 THR 49 1.404 10.126 -4.189 387 HG23 THR 49 3HG2 THR 49 2.394 8.928 -3.357 388 H ALA 50 HN ALA 50 2.597 13.590 -2.375 389 HA ALA 50 HA ALA 50 0.817 14.412 -1.219 390 HB1 ALA 50 1HB ALA 50 -1.301 14.782 -2.631 391 HB2 ALA 50 2HB ALA 50 0.164 15.662 -3.069 392 HB3 ALA 50 3HB ALA 50 -0.315 14.235 -3.986 393 H ILE 51 HN ILE 51 1.139 11.356 -1.959 394 HA ILE 51 HA ILE 51 -0.039 9.396 -1.651 395 HB ILE 51 HB ILE 51 -0.725 10.942 0.850 396 HG12 ILE 51 2HG1 ILE 51 1.203 9.798 1.819 397 HG13 ILE 51 3HG1 ILE 51 1.487 8.952 0.302 398 HG21 ILE 51 1HG2 ILE 51 -2.160 8.926 0.378 399 HG22 ILE 51 2HG2 ILE 51 -0.695 7.953 0.514 400 HG23 ILE 51 3HG2 ILE 51 -1.265 8.887 1.897 401 HD11 ILE 51 1HD1 ILE 51 2.826 11.128 0.993 402 HD12 ILE 51 2HD1 ILE 51 2.427 10.761 -0.685 403 HD13 ILE 51 3HD1 ILE 51 1.445 11.909 0.224 404 H SER 52 HN SER 52 -1.576 9.596 -3.347 405 HA SER 52 HA SER 52 -4.208 10.647 -2.622 406 HB2 SER 52 2HB SER 52 -4.120 11.356 -4.752 407 HB3 SER 52 3HB SER 52 -2.719 10.343 -5.099 408 HG SER 52 HG SER 52 -5.382 9.374 -5.000 409 H CYS 53 HN CYS 53 -6.119 9.399 -2.907 410 HA CYS 53 HA CYS 53 -6.349 7.043 -1.688 411 HB2 CYS 53 2HB CYS 53 -8.302 8.205 -2.511 412 HB3 CYS 53 3HB CYS 53 -7.848 7.872 -4.179 413 HA PRO 54 HA PRO 54 -4.056 4.017 -3.937 414 HB2 PRO 54 2HB PRO 54 -5.129 1.802 -2.792 415 HB3 PRO 54 3HB PRO 54 -3.971 2.846 -1.961 416 HG2 PRO 54 2HG PRO 54 -6.955 2.766 -1.729 417 HG3 PRO 54 3HG PRO 54 -5.737 2.917 -0.449 418 HD2 PRO 54 2HD PRO 54 -7.115 5.041 -1.407 419 HD3 PRO 54 3HD PRO 54 -5.444 5.172 -0.821 420 H ASP 55 HN ASP 55 -7.570 3.883 -3.743 421 HA ASP 55 HA ASP 55 -7.903 1.937 -5.798 422 HB2 ASP 55 2HB ASP 55 -9.697 2.175 -4.261 423 HB3 ASP 55 3HB ASP 55 -9.778 3.916 -4.510 424 H ALA 56 HN ALA 56 -7.905 2.169 -7.941 425 HA ALA 56 HA ALA 56 -7.232 4.706 -9.100 426 HB1 ALA 56 1HB ALA 56 -6.229 2.710 -9.997 427 HB2 ALA 56 2HB ALA 56 -7.816 2.036 -10.369 428 HB3 ALA 56 3HB ALA 56 -7.236 3.457 -11.236 429 H ALA 57 HN ALA 57 -10.026 2.518 -9.308 430 HA ALA 57 HA ALA 57 -11.578 3.944 -11.102 431 HB1 ALA 57 1HB ALA 57 -11.971 1.795 -9.253 432 HB2 ALA 57 2HB ALA 57 -13.354 2.888 -9.196 433 HB3 ALA 57 3HB ALA 57 -12.859 2.172 -10.730 434 H CYS 58 HN CYS 58 -11.060 4.486 -7.675 435 HA CYS 58 HA CYS 58 -13.015 6.038 -6.777 436 HB2 CYS 58 2HB CYS 58 -10.800 5.674 -5.656 437 HB3 CYS 58 3HB CYS 58 -10.140 6.965 -6.657 438 HA PRO 59 HA PRO 59 -13.335 8.942 -10.260 439 HB2 PRO 59 2HB PRO 59 -15.931 9.564 -9.767 440 HB3 PRO 59 3HB PRO 59 -15.442 8.120 -10.663 441 HG2 PRO 59 2HG PRO 59 -16.238 8.388 -7.790 442 HG3 PRO 59 3HG PRO 59 -16.691 7.140 -8.964 443 HD2 PRO 59 2HD PRO 59 -14.764 6.756 -7.102 444 HD3 PRO 59 3HD PRO 59 -14.706 5.997 -8.706 445 H LYS 60 HN LYS 60 -13.109 9.294 -6.991 446 HA LYS 60 HA LYS 60 -13.544 12.206 -7.117 447 HB2 LYS 60 2HB LYS 60 -14.255 10.205 -5.120 448 HB3 LYS 60 3HB LYS 60 -13.345 11.542 -4.429 449 HG2 LYS 60 2HG LYS 60 -15.054 12.995 -5.789 450 HG3 LYS 60 3HG LYS 60 -16.036 11.531 -5.697 451 HD2 LYS 60 2HD LYS 60 -15.264 11.693 -3.139 452 HD3 LYS 60 3HD LYS 60 -15.205 13.406 -3.560 453 HE2 LYS 60 2HE LYS 60 -17.589 11.655 -4.117 454 HE3 LYS 60 3HE LYS 60 -17.395 12.565 -2.619 455 HZ1 LYS 60 1HZ LYS 60 -17.261 14.601 -3.941 456 HZ2 LYS 60 2HZ LYS 60 -18.729 13.798 -4.183 457 HZ3 LYS 60 3HZ LYS 60 -17.514 13.711 -5.357 458 H GLN 61 HN GLN 61 -11.256 9.713 -6.722 459 HA GLN 61 HA GLN 61 -9.089 9.663 -5.942 460 HB2 GLN 61 2HB GLN 61 -9.102 12.222 -7.551 461 HB3 GLN 61 3HB GLN 61 -7.670 11.295 -7.124 462 HG2 GLN 61 2HG GLN 61 -8.501 9.404 -8.423 463 HG3 GLN 61 3HG GLN 61 -9.940 10.330 -8.848 464 HE21 GLN 61 1HE2 GLN 61 -6.476 10.078 -9.246 465 HE22 GLN 61 2HE2 GLN 61 -6.377 11.032 -10.683 466 H GLY 62 HN GLY 62 -9.789 10.056 -3.695 467 HA2 GLY 62 1HA GLY 62 -9.476 12.752 -2.671 468 HA3 GLY 62 2HA GLY 62 -9.887 11.321 -1.738 469 H HIS 63 HN HIS 63 -7.734 13.596 -1.715 470 HA HIS 63 HA HIS 63 -5.296 12.024 -1.667 471 HB2 HIS 63 2HB HIS 63 -5.823 14.944 -1.083 472 HB3 HIS 63 3HB HIS 63 -4.227 14.199 -1.049 473 HD1 HIS 63 1HD HIS 63 -6.941 15.252 -3.413 474 HD2 HIS 63 2HD HIS 63 -3.075 13.736 -3.539 475 HE1 HIS 63 1HE HIS 63 -6.212 15.469 -5.810 476 H LEU 64 HN LEU 64 -3.861 12.072 0.223 477 HA LEU 64 HA LEU 64 -5.404 11.986 2.730 478 HB2 LEU 64 2HB LEU 64 -3.133 10.317 1.715 479 HB3 LEU 64 3HB LEU 64 -3.462 10.440 3.442 480 HG LEU 64 HG LEU 64 -5.641 9.606 1.572 481 HD11 LEU 64 1HD1 LEU 64 -3.206 8.082 2.250 482 HD12 LEU 64 2HD1 LEU 64 -4.285 7.946 0.863 483 HD13 LEU 64 3HD1 LEU 64 -4.740 7.226 2.407 484 HD21 LEU 64 1HD2 LEU 64 -5.062 9.539 4.466 485 HD22 LEU 64 2HD2 LEU 64 -5.893 8.132 3.801 486 HD23 LEU 64 3HD2 LEU 64 -6.594 9.741 3.617 487 H GLN 65 HN GLN 65 -4.190 12.488 4.703 488 HA GLN 65 HA GLN 65 -2.550 14.839 4.299 489 HB2 GLN 65 2HB GLN 65 -2.848 13.962 7.059 490 HB3 GLN 65 3HB GLN 65 -3.306 15.486 6.309 491 HG2 GLN 65 2HG GLN 65 -5.333 14.675 7.012 492 HG3 GLN 65 3HG GLN 65 -5.285 14.119 5.340 493 HE21 GLN 65 1HE2 GLN 65 -3.190 12.118 6.193 494 HE22 GLN 65 2HE2 GLN 65 -4.097 10.833 6.908 495 H GLU 66 HN GLU 66 -0.547 15.151 5.559 496 HA GLU 66 HA GLU 66 1.133 12.781 5.326 497 HB2 GLU 66 2HB GLU 66 1.557 15.693 5.268 498 HB3 GLU 66 3HB GLU 66 2.816 14.787 6.095 499 HG2 GLU 66 2HG GLU 66 3.618 13.925 4.197 500 HG3 GLU 66 3HG GLU 66 2.011 13.646 3.527 501 H ASN 67 HN ASN 67 -0.227 14.875 7.745 502 HA ASN 67 HA ASN 67 1.441 13.759 9.854 503 HB2 ASN 67 2HB ASN 67 1.035 16.097 10.078 504 HB3 ASN 67 3HB ASN 67 -0.695 15.891 9.826 505 HD21 ASN 67 1HD2 ASN 67 -1.921 14.841 11.483 506 HD22 ASN 67 2HD2 ASN 67 -1.389 14.908 13.125 507 H GLU 68 HN GLU 68 -2.061 14.094 9.248 508 HA GLU 68 HA GLU 68 -3.040 12.512 11.253 509 HB2 GLU 68 2HB GLU 68 -3.998 13.475 8.705 510 HB3 GLU 68 3HB GLU 68 -4.604 11.854 9.015 511 HG2 GLU 68 2HG GLU 68 -4.782 13.836 11.211 512 HG3 GLU 68 3HG GLU 68 -5.874 14.019 9.840 513 H ILE 69 HN ILE 69 -1.833 11.450 8.096 514 HA ILE 69 HA ILE 69 -2.403 8.697 8.497 515 HB ILE 69 HB ILE 69 -0.607 10.161 6.584 516 HG12 ILE 69 2HG1 ILE 69 -3.335 9.098 6.592 517 HG13 ILE 69 3HG1 ILE 69 -2.613 10.333 5.567 518 HG21 ILE 69 1HG2 ILE 69 0.496 8.052 7.114 519 HG22 ILE 69 2HG2 ILE 69 -0.991 7.175 6.758 520 HG23 ILE 69 3HG2 ILE 69 -0.144 8.034 5.471 521 HD11 ILE 69 1HD1 ILE 69 -1.686 8.641 4.122 522 HD12 ILE 69 2HD1 ILE 69 -2.286 7.368 5.184 523 HD13 ILE 69 3HD1 ILE 69 -3.421 8.391 4.305 524 H GLU 70 HN GLU 70 0.810 10.226 8.239 525 HA GLU 70 HA GLU 70 2.369 8.224 9.193 526 HB2 GLU 70 2HB GLU 70 4.035 9.792 9.574 527 HB3 GLU 70 3HB GLU 70 2.981 10.641 8.451 528 HG2 GLU 70 2HG GLU 70 1.949 11.831 10.315 529 HG3 GLU 70 3HG GLU 70 3.002 10.979 11.442 530 H CYS 71 HN CYS 71 0.107 10.107 11.001 531 HA CYS 71 HA CYS 71 1.148 9.602 13.595 532 HB2 CYS 71 2HB CYS 71 -0.349 11.428 13.394 533 HB3 CYS 71 3HB CYS 71 -1.563 10.445 12.585 534 HG CYS 71 HG CYS 71 -2.443 11.158 15.170 535 H MET 72 HN MET 72 -1.269 7.988 11.578 536 HA MET 72 HA MET 72 -1.921 6.035 13.574 537 HB2 MET 72 2HB MET 72 -3.513 5.282 12.112 538 HB3 MET 72 3HB MET 72 -3.284 6.904 11.474 539 HG2 MET 72 2HG MET 72 -1.510 5.769 9.955 540 HG3 MET 72 3HG MET 72 -2.374 4.290 10.368 541 HE1 MET 72 1HE MET 72 -1.995 5.111 7.468 542 HE2 MET 72 2HE MET 72 -3.101 3.777 7.796 543 HE3 MET 72 3HE MET 72 -3.595 5.089 6.724 544 H VAL 73 HN VAL 73 0.856 6.472 12.035 545 HA VAL 73 HA VAL 73 1.484 3.607 12.053 546 HB VAL 73 HB VAL 73 3.111 4.342 10.063 547 HG11 VAL 73 1HG1 VAL 73 1.699 2.434 9.910 548 HG12 VAL 73 2HG1 VAL 73 0.247 3.433 9.854 549 HG13 VAL 73 3HG1 VAL 73 1.371 3.433 8.495 550 HG21 VAL 73 1HG2 VAL 73 2.475 6.106 8.830 551 HG22 VAL 73 2HG2 VAL 73 0.760 5.743 9.017 552 HG23 VAL 73 3HG2 VAL 73 1.620 6.615 10.286 553 H ALA 74 HN ALA 74 3.301 6.538 11.182 554 HA ALA 74 HA ALA 74 5.461 5.730 12.939 555 HB1 ALA 74 1HB ALA 74 6.750 6.855 11.521 556 HB2 ALA 74 2HB ALA 74 5.311 7.149 10.544 557 HB3 ALA 74 3HB ALA 74 5.815 8.332 11.750 558 H ALA 75 HN ALA 75 3.188 6.280 14.403 559 HA ALA 75 HA ALA 75 2.747 8.821 15.342 560 HB1 ALA 75 1HB ALA 75 2.727 7.076 17.590 561 HB2 ALA 75 2HB ALA 75 1.362 7.704 16.666 562 HB3 ALA 75 3HB ALA 75 2.129 6.191 16.186 Start of MODEL 12 1 H1 ALA 1 HN ALA 1 -22.385 -12.204 -9.101 2 HA ALA 1 HA ALA 1 -20.836 -9.973 -8.729 3 HB1 ALA 1 1HB ALA 1 -23.565 -9.166 -9.157 4 HB2 ALA 1 2HB ALA 1 -22.195 -9.127 -10.268 5 HB3 ALA 1 3HB ALA 1 -23.175 -10.586 -10.128 6 H LEU 2 HN LEU 2 -22.683 -11.403 -6.385 7 HA LEU 2 HA LEU 2 -22.595 -8.980 -4.741 8 HB2 LEU 2 2HB LEU 2 -24.976 -10.808 -5.019 9 HB3 LEU 2 3HB LEU 2 -24.805 -9.575 -3.770 10 HG LEU 2 HG LEU 2 -24.640 -8.760 -6.635 11 HD11 LEU 2 1HD1 LEU 2 -26.791 -10.248 -5.740 12 HD12 LEU 2 2HD1 LEU 2 -26.771 -9.162 -7.129 13 HD13 LEU 2 3HD1 LEU 2 -27.325 -8.578 -5.560 14 HD21 LEU 2 1HD2 LEU 2 -24.459 -6.815 -5.567 15 HD22 LEU 2 2HD2 LEU 2 -24.944 -7.525 -4.027 16 HD23 LEU 2 3HD2 LEU 2 -26.170 -6.983 -5.174 17 H ASP 3 HN ASP 3 -20.636 -10.304 -4.135 18 HA ASP 3 HA ASP 3 -21.146 -12.642 -2.504 19 HB2 ASP 3 2HB ASP 3 -18.776 -12.847 -2.319 20 HB3 ASP 3 3HB ASP 3 -19.113 -12.371 -3.981 21 HA PRO 4 HA PRO 4 -21.581 -10.546 1.339 22 HB2 PRO 4 2HB PRO 4 -20.794 -12.531 3.015 23 HB3 PRO 4 3HB PRO 4 -22.347 -12.546 2.172 24 HG2 PRO 4 2HG PRO 4 -19.803 -13.961 1.478 25 HG3 PRO 4 3HG PRO 4 -21.468 -14.568 1.436 26 HD2 PRO 4 2HD PRO 4 -20.160 -13.749 -0.788 27 HD3 PRO 4 3HD PRO 4 -21.915 -13.568 -0.593 28 H LEU 5 HN LEU 5 -20.357 -9.227 2.560 29 HA LEU 5 HA LEU 5 -18.550 -8.222 3.507 30 HB2 LEU 5 2HB LEU 5 -16.958 -10.732 3.169 31 HB3 LEU 5 3HB LEU 5 -16.871 -9.525 4.451 32 HG LEU 5 HG LEU 5 -19.454 -10.743 4.502 33 HD11 LEU 5 1HD1 LEU 5 -17.188 -12.570 3.989 34 HD12 LEU 5 2HD1 LEU 5 -18.907 -12.765 3.650 35 HD13 LEU 5 3HD1 LEU 5 -18.297 -13.020 5.285 36 HD21 LEU 5 1HD2 LEU 5 -18.318 -11.580 6.744 37 HD22 LEU 5 2HD2 LEU 5 -18.794 -9.897 6.512 38 HD23 LEU 5 3HD2 LEU 5 -17.111 -10.377 6.288 39 H VAL 6 HN VAL 6 -15.782 -8.649 2.997 40 HA VAL 6 HA VAL 6 -14.126 -8.114 1.526 41 HB VAL 6 HB VAL 6 -16.084 -8.816 -0.664 42 HG11 VAL 6 1HG1 VAL 6 -13.905 -7.524 -1.144 43 HG12 VAL 6 2HG1 VAL 6 -13.100 -9.054 -0.791 44 HG13 VAL 6 3HG1 VAL 6 -14.267 -8.954 -2.110 45 HG21 VAL 6 1HG2 VAL 6 -16.028 -10.794 0.501 46 HG22 VAL 6 2HG2 VAL 6 -14.636 -11.003 -0.560 47 HG23 VAL 6 3HG2 VAL 6 -14.400 -10.513 1.118 48 H SER 7 HN SER 7 -13.444 -6.145 0.970 49 HA SER 7 HA SER 7 -15.182 -4.320 -0.474 50 HB2 SER 7 2HB SER 7 -13.959 -3.044 1.888 51 HB3 SER 7 3HB SER 7 -15.551 -2.801 1.171 52 HG SER 7 HG SER 7 -15.653 -3.780 3.250 53 H CYS 8 HN CYS 8 -12.203 -4.139 1.484 54 HA CYS 8 HA CYS 8 -10.751 -2.304 0.194 55 HB2 CYS 8 2HB CYS 8 -9.972 -3.767 2.091 56 HB3 CYS 8 3HB CYS 8 -9.576 -4.999 0.897 57 H LYS 9 HN LYS 9 -9.440 -2.111 -1.614 58 HA LYS 9 HA LYS 9 -9.799 -4.193 -3.670 59 HB2 LYS 9 2HB LYS 9 -9.445 -1.254 -4.244 60 HB3 LYS 9 3HB LYS 9 -9.949 -2.520 -5.356 61 HG2 LYS 9 2HG LYS 9 -12.047 -1.966 -4.930 62 HG3 LYS 9 3HG LYS 9 -11.822 -2.566 -3.285 63 HD2 LYS 9 2HD LYS 9 -11.512 -0.466 -2.417 64 HD3 LYS 9 3HD LYS 9 -10.884 0.186 -3.932 65 HE2 LYS 9 2HE LYS 9 -12.978 1.183 -3.741 66 HE3 LYS 9 3HE LYS 9 -13.271 -0.176 -4.827 67 HZ1 LYS 9 1HZ LYS 9 -13.612 -0.773 -2.019 68 HZ2 LYS 9 2HZ LYS 9 -14.587 -1.183 -3.339 69 HZ3 LYS 9 3HZ LYS 9 -14.718 0.350 -2.634 70 H LEU 10 HN LEU 10 -7.619 -3.572 -1.641 71 HA LEU 10 HA LEU 10 -5.391 -3.244 -3.539 72 HB2 LEU 10 2HB LEU 10 -5.602 -2.659 -0.598 73 HB3 LEU 10 3HB LEU 10 -4.057 -2.739 -1.444 74 HG LEU 10 HG LEU 10 -6.175 -0.884 -2.439 75 HD11 LEU 10 1HD1 LEU 10 -5.718 0.777 -0.893 76 HD12 LEU 10 2HD1 LEU 10 -4.234 0.000 -0.342 77 HD13 LEU 10 3HD1 LEU 10 -5.800 -0.671 0.111 78 HD21 LEU 10 1HD2 LEU 10 -3.529 0.162 -2.385 79 HD22 LEU 10 2HD2 LEU 10 -4.524 -0.256 -3.780 80 HD23 LEU 10 3HD2 LEU 10 -3.475 -1.471 -3.049 81 H CYS 11 HN CYS 11 -7.068 -5.530 -1.842 82 HA CYS 11 HA CYS 11 -4.995 -7.496 -2.233 83 HB2 CYS 11 2HB CYS 11 -4.958 -8.299 0.072 84 HB3 CYS 11 3HB CYS 11 -4.432 -6.620 0.001 85 H LEU 12 HN LEU 12 -8.212 -6.706 -1.033 86 HA LEU 12 HA LEU 12 -10.222 -7.736 -1.325 87 HB2 LEU 12 2HB LEU 12 -8.922 -9.833 -3.018 88 HB3 LEU 12 3HB LEU 12 -10.558 -9.187 -3.115 89 HG LEU 12 HG LEU 12 -8.043 -7.730 -3.926 90 HD11 LEU 12 1HD1 LEU 12 -8.846 -9.699 -5.345 91 HD12 LEU 12 2HD1 LEU 12 -8.609 -8.150 -6.154 92 HD13 LEU 12 3HD1 LEU 12 -10.236 -8.686 -5.735 93 HD21 LEU 12 1HD2 LEU 12 -9.805 -6.245 -3.081 94 HD22 LEU 12 2HD2 LEU 12 -10.943 -6.952 -4.229 95 HD23 LEU 12 3HD2 LEU 12 -9.548 -6.044 -4.814 96 H GLY 13 HN GLY 13 -8.971 -8.293 0.972 97 HA2 GLY 13 1HA GLY 13 -9.129 -11.216 1.307 98 HA3 GLY 13 2HA GLY 13 -8.281 -10.119 2.385 99 H GLU 14 HN GLU 14 -10.758 -8.298 2.050 100 HA GLU 14 HA GLU 14 -12.811 -7.993 3.028 101 HB2 GLU 14 2HB GLU 14 -14.151 -9.779 3.119 102 HB3 GLU 14 3HB GLU 14 -12.762 -10.749 2.649 103 HG2 GLU 14 2HG GLU 14 -12.231 -11.161 4.979 104 HG3 GLU 14 3HG GLU 14 -13.574 -10.136 5.482 105 H TYR 15 HN TYR 15 -13.158 -6.953 4.893 106 HA TYR 15 HA TYR 15 -12.199 -7.929 7.414 107 HB2 TYR 15 2HB TYR 15 -11.042 -5.282 6.591 108 HB3 TYR 15 3HB TYR 15 -10.543 -6.346 7.901 109 HD1 TYR 15 1HD TYR 15 -8.919 -8.039 7.552 110 HD2 TYR 15 2HD TYR 15 -10.504 -5.905 4.228 111 HE1 TYR 15 1HE TYR 15 -7.180 -9.007 6.108 112 HE2 TYR 15 2HE TYR 15 -8.769 -6.869 2.776 113 HH TYR 15 HH TYR 15 -6.031 -8.322 3.898 114 HA PRO 16 HA PRO 16 -15.583 -5.518 8.837 115 HB2 PRO 16 2HB PRO 16 -14.848 -5.113 11.418 116 HB3 PRO 16 3HB PRO 16 -15.406 -6.677 10.812 117 HG2 PRO 16 2HG PRO 16 -12.609 -5.714 11.278 118 HG3 PRO 16 3HG PRO 16 -13.329 -7.289 11.662 119 HD2 PRO 16 2HD PRO 16 -11.775 -6.891 9.480 120 HD3 PRO 16 3HD PRO 16 -13.115 -8.055 9.498 121 H VAL 17 HN VAL 17 -16.160 -3.423 9.785 122 HA VAL 17 HA VAL 17 -14.681 -1.302 8.673 123 HB VAL 17 HB VAL 17 -17.217 -1.575 9.729 124 HG11 VAL 17 1HG1 VAL 17 -16.329 -1.140 11.982 125 HG12 VAL 17 2HG1 VAL 17 -15.708 0.413 11.422 126 HG13 VAL 17 3HG1 VAL 17 -17.447 0.116 11.450 127 HG21 VAL 17 1HG2 VAL 17 -17.005 -0.151 7.939 128 HG22 VAL 17 2HG2 VAL 17 -17.238 1.004 9.252 129 HG23 VAL 17 3HG2 VAL 17 -15.618 0.690 8.631 130 H GLU 18 HN GLU 18 -14.305 -3.005 11.598 131 HA GLU 18 HA GLU 18 -12.924 -0.825 12.948 132 HB2 GLU 18 2HB GLU 18 -13.397 -3.681 13.819 133 HB3 GLU 18 3HB GLU 18 -12.696 -2.412 14.814 134 HG2 GLU 18 2HG GLU 18 -14.815 -1.138 14.579 135 HG3 GLU 18 3HG GLU 18 -15.501 -2.526 13.735 136 H GLN 19 HN GLN 19 -12.073 -2.656 10.499 137 HA GLN 19 HA GLN 19 -9.304 -2.984 11.449 138 HB2 GLN 19 2HB GLN 19 -11.060 -4.866 9.972 139 HB3 GLN 19 3HB GLN 19 -9.379 -4.788 9.460 140 HG2 GLN 19 2HG GLN 19 -8.784 -5.135 11.906 141 HG3 GLN 19 3HG GLN 19 -10.476 -5.568 12.139 142 HE21 GLN 19 1HE2 GLN 19 -9.063 -7.524 12.842 143 HE22 GLN 19 2HE2 GLN 19 -8.874 -8.749 11.638 144 H MET 20 HN MET 20 -11.369 -1.441 9.329 145 HA MET 20 HA MET 20 -9.292 -1.042 7.294 146 HB2 MET 20 2HB MET 20 -11.969 0.181 6.953 147 HB3 MET 20 3HB MET 20 -10.936 -0.617 5.774 148 HG2 MET 20 2HG MET 20 -11.593 -2.722 7.300 149 HG3 MET 20 3HG MET 20 -13.028 -1.724 7.525 150 HE1 MET 20 1HE MET 20 -10.531 -3.104 5.072 151 HE2 MET 20 2HE MET 20 -11.445 -3.479 3.611 152 HE3 MET 20 3HE MET 20 -10.955 -1.817 3.944 153 H THR 21 HN THR 21 -9.353 1.278 6.343 154 HA THR 21 HA THR 21 -9.630 3.274 8.477 155 HB THR 21 HB THR 21 -7.149 2.710 6.873 156 HG1 THR 21 1HG THR 21 -7.007 3.490 9.517 157 HG21 THR 21 1HG2 THR 21 -6.352 4.916 7.997 158 HG22 THR 21 2HG2 THR 21 -8.071 5.309 8.043 159 HG23 THR 21 3HG2 THR 21 -7.279 4.999 6.499 160 H THR 22 HN THR 22 -10.653 5.045 7.814 161 HA THR 22 HA THR 22 -11.616 5.315 5.173 162 HB THR 22 HB THR 22 -11.485 7.648 7.054 163 HG1 THR 22 1HG THR 22 -12.507 6.509 8.505 164 HG21 THR 22 1HG2 THR 22 -13.243 6.694 4.846 165 HG22 THR 22 2HG2 THR 22 -12.629 8.313 5.180 166 HG23 THR 22 3HG2 THR 22 -13.962 7.661 6.132 167 H ILE 23 HN ILE 23 -11.241 7.117 3.710 168 HA ILE 23 HA ILE 23 -8.414 7.623 3.391 169 HB ILE 23 HB ILE 23 -10.819 8.289 1.706 170 HG12 ILE 23 2HG1 ILE 23 -10.135 5.987 1.559 171 HG13 ILE 23 3HG1 ILE 23 -9.616 6.798 0.085 172 HG21 ILE 23 1HG2 ILE 23 -9.642 10.060 0.981 173 HG22 ILE 23 2HG2 ILE 23 -8.126 9.452 1.644 174 HG23 ILE 23 3HG2 ILE 23 -8.712 8.852 0.094 175 HD11 ILE 23 1HD1 ILE 23 -7.828 5.429 0.718 176 HD12 ILE 23 2HD1 ILE 23 -7.358 7.057 1.208 177 HD13 ILE 23 3HD1 ILE 23 -7.948 5.910 2.410 178 H ALA 24 HN ALA 24 -11.255 9.371 4.402 179 HA ALA 24 HA ALA 24 -11.402 11.343 5.570 180 HB1 ALA 24 1HB ALA 24 -9.585 12.012 6.666 181 HB2 ALA 24 2HB ALA 24 -8.704 10.749 5.807 182 HB3 ALA 24 3HB ALA 24 -8.736 12.393 5.169 183 H GLN 25 HN GLN 25 -11.354 10.889 2.528 184 HA GLN 25 HA GLN 25 -11.772 13.679 1.854 185 HB2 GLN 25 2HB GLN 25 -9.468 12.114 0.902 186 HB3 GLN 25 3HB GLN 25 -10.371 12.932 -0.366 187 HG2 GLN 25 2HG GLN 25 -8.744 14.470 0.218 188 HG3 GLN 25 3HG GLN 25 -10.163 15.019 1.108 189 HE21 GLN 25 1HE2 GLN 25 -8.365 16.125 2.292 190 HE22 GLN 25 2HE2 GLN 25 -7.668 15.283 3.631 191 H CYS 26 HN CYS 26 -11.306 10.638 0.047 192 HA CYS 26 HA CYS 26 -13.680 11.148 -1.512 193 HB2 CYS 26 2HB CYS 26 -13.101 9.002 -2.626 194 HB3 CYS 26 3HB CYS 26 -11.771 10.156 -2.621 195 H GLN 27 HN GLN 27 -12.843 9.361 1.315 196 HA GLN 27 HA GLN 27 -14.187 8.304 2.836 197 HB2 GLN 27 2HB GLN 27 -16.516 8.522 0.947 198 HB3 GLN 27 3HB GLN 27 -16.534 8.421 2.702 199 HG2 GLN 27 2HG GLN 27 -15.121 10.753 1.633 200 HG3 GLN 27 3HG GLN 27 -16.845 10.701 1.270 201 HE21 GLN 27 1HE2 GLN 27 -14.483 11.366 3.597 202 HE22 GLN 27 2HE2 GLN 27 -15.535 11.666 4.935 203 H CYS 28 HN CYS 28 -12.596 6.778 1.376 204 HA CYS 28 HA CYS 28 -14.222 4.585 0.296 205 HB2 CYS 28 2HB CYS 28 -11.326 5.343 -0.037 206 HB3 CYS 28 3HB CYS 28 -11.922 3.749 -0.488 207 H ILE 29 HN ILE 29 -13.056 2.361 0.674 208 HA ILE 29 HA ILE 29 -12.306 2.182 3.517 209 HB ILE 29 HB ILE 29 -14.670 1.244 2.519 210 HG12 ILE 29 2HG1 ILE 29 -14.463 -0.359 4.606 211 HG13 ILE 29 3HG1 ILE 29 -12.971 0.534 4.876 212 HG21 ILE 29 1HG2 ILE 29 -13.529 -0.429 1.150 213 HG22 ILE 29 2HG2 ILE 29 -12.760 -1.088 2.593 214 HG23 ILE 29 3HG2 ILE 29 -14.510 -1.188 2.404 215 HD11 ILE 29 1HD1 ILE 29 -14.210 2.614 4.968 216 HD12 ILE 29 2HD1 ILE 29 -15.711 1.752 4.634 217 HD13 ILE 29 3HD1 ILE 29 -14.842 1.458 6.140 218 H PHE 30 HN PHE 30 -10.427 1.208 3.876 219 HA PHE 30 HA PHE 30 -9.520 -0.962 2.187 220 HB2 PHE 30 2HB PHE 30 -7.928 1.600 2.432 221 HB3 PHE 30 3HB PHE 30 -7.330 0.104 1.722 222 HD1 PHE 30 1HD PHE 30 -9.097 3.147 1.147 223 HD2 PHE 30 2HD PHE 30 -8.543 -0.811 -0.316 224 HE1 PHE 30 1HE PHE 30 -10.000 3.831 -1.037 225 HE2 PHE 30 2HE PHE 30 -9.444 -0.134 -2.503 226 HZ PHE 30 HZ PHE 30 -10.173 2.191 -2.866 227 H CYS 31 HN CYS 31 -8.360 -2.415 3.313 228 HA CYS 31 HA CYS 31 -8.212 -2.321 6.090 229 HB2 CYS 31 2HB CYS 31 -6.986 -4.351 5.973 230 HB3 CYS 31 3HB CYS 31 -8.075 -4.367 4.590 231 H THR 32 HN THR 32 -6.884 -1.345 7.465 232 HA THR 32 HA THR 32 -5.122 0.597 7.024 233 HB THR 32 HB THR 32 -4.337 -1.484 9.047 234 HG1 THR 32 1HG THR 32 -6.560 0.297 9.141 235 HG21 THR 32 1HG2 THR 32 -4.199 0.836 10.336 236 HG22 THR 32 2HG2 THR 32 -4.024 1.451 8.692 237 HG23 THR 32 3HG2 THR 32 -2.883 0.258 9.315 238 H LEU 33 HN LEU 33 -3.932 -2.741 7.467 239 HA LEU 33 HA LEU 33 -1.338 -2.559 6.901 240 HB2 LEU 33 2HB LEU 33 -3.376 -4.573 6.361 241 HB3 LEU 33 3HB LEU 33 -1.993 -4.679 5.274 242 HG LEU 33 HG LEU 33 -1.439 -4.491 8.185 243 HD11 LEU 33 1HD1 LEU 33 -2.626 -6.276 8.748 244 HD12 LEU 33 2HD1 LEU 33 -1.672 -7.228 7.609 245 HD13 LEU 33 3HD1 LEU 33 -3.182 -6.481 7.087 246 HD21 LEU 33 1HD2 LEU 33 -0.245 -5.928 5.825 247 HD22 LEU 33 2HD2 LEU 33 0.300 -6.169 7.485 248 HD23 LEU 33 3HD2 LEU 33 0.437 -4.578 6.733 249 H CYS 34 HN CYS 34 -3.818 -2.716 4.348 250 HA CYS 34 HA CYS 34 -2.022 -2.355 2.201 251 HB2 CYS 34 2HB CYS 34 -4.986 -2.126 2.538 252 HB3 CYS 34 3HB CYS 34 -4.245 -1.523 1.060 253 H LEU 35 HN LEU 35 -4.389 -0.035 3.527 254 HA LEU 35 HA LEU 35 -3.446 2.201 2.159 255 HB2 LEU 35 2HB LEU 35 -5.552 1.763 3.713 256 HB3 LEU 35 3HB LEU 35 -4.521 2.552 4.905 257 HG LEU 35 HG LEU 35 -4.315 4.456 3.216 258 HD11 LEU 35 1HD1 LEU 35 -5.180 4.056 1.206 259 HD12 LEU 35 2HD1 LEU 35 -6.763 4.251 1.957 260 HD13 LEU 35 3HD1 LEU 35 -6.064 2.641 1.780 261 HD21 LEU 35 1HD2 LEU 35 -7.148 4.295 4.027 262 HD22 LEU 35 2HD2 LEU 35 -5.946 5.548 4.334 263 HD23 LEU 35 3HD2 LEU 35 -5.956 4.077 5.308 264 H LYS 36 HN LYS 36 -1.953 0.446 4.611 265 HA LYS 36 HA LYS 36 -0.403 2.697 5.627 266 HB2 LYS 36 2HB LYS 36 -1.045 1.172 7.323 267 HB3 LYS 36 3HB LYS 36 -0.558 -0.220 6.365 268 HG2 LYS 36 2HG LYS 36 1.668 1.557 6.811 269 HG3 LYS 36 3HG LYS 36 0.920 1.071 8.335 270 HD2 LYS 36 2HD LYS 36 0.995 -1.314 7.345 271 HD3 LYS 36 3HD LYS 36 2.169 -0.640 6.213 272 HE2 LYS 36 2HE LYS 36 3.753 -0.331 7.827 273 HE3 LYS 36 3HE LYS 36 2.562 -0.089 9.104 274 HZ1 LYS 36 1HZ LYS 36 3.975 -2.409 8.511 275 HZ2 LYS 36 2HZ LYS 36 2.358 -2.719 8.123 276 HZ3 LYS 36 3HZ LYS 36 2.769 -2.202 9.680 277 H GLN 37 HN GLN 37 0.481 -0.562 4.472 278 HA GLN 37 HA GLN 37 3.125 -0.161 3.959 279 HB2 GLN 37 2HB GLN 37 1.241 -2.126 3.332 280 HB3 GLN 37 3HB GLN 37 1.939 -1.668 1.785 281 HG2 GLN 37 2HG GLN 37 4.201 -2.011 2.835 282 HG3 GLN 37 3HG GLN 37 3.359 -2.732 4.206 283 HE21 GLN 37 1HE2 GLN 37 2.189 -4.669 3.881 284 HE22 GLN 37 2HE2 GLN 37 2.565 -5.725 2.567 285 H TYR 38 HN TYR 38 0.469 1.232 2.287 286 HA TYR 38 HA TYR 38 2.016 1.928 -0.064 287 HB2 TYR 38 2HB TYR 38 -0.119 1.682 -0.801 288 HB3 TYR 38 3HB TYR 38 -0.818 2.098 0.760 289 HD1 TYR 38 1HD TYR 38 -2.133 3.983 0.761 290 HD2 TYR 38 2HD TYR 38 1.198 3.826 -1.882 291 HE1 TYR 38 1HE TYR 38 -2.711 6.218 -0.089 292 HE2 TYR 38 2HE TYR 38 0.629 6.061 -2.739 293 HH TYR 38 HH TYR 38 -1.209 7.564 -2.885 294 H VAL 39 HN VAL 39 0.103 3.886 2.226 295 HA VAL 39 HA VAL 39 1.352 6.319 1.600 296 HB VAL 39 HB VAL 39 0.287 7.243 3.531 297 HG11 VAL 39 1HG1 VAL 39 -1.373 5.080 2.250 298 HG12 VAL 39 2HG1 VAL 39 -2.038 6.348 3.282 299 HG13 VAL 39 3HG1 VAL 39 -1.245 6.770 1.764 300 HG21 VAL 39 1HG2 VAL 39 0.042 4.394 4.474 301 HG22 VAL 39 2HG2 VAL 39 0.922 5.714 5.242 302 HG23 VAL 39 3HG2 VAL 39 -0.840 5.738 5.197 303 H GLU 40 HN GLU 40 1.905 4.087 4.318 304 HA GLU 40 HA GLU 40 3.762 5.374 5.794 305 HB2 GLU 40 2HB GLU 40 2.878 2.875 5.830 306 HB3 GLU 40 3HB GLU 40 4.422 2.562 5.050 307 HG2 GLU 40 2HG GLU 40 4.556 4.256 7.442 308 HG3 GLU 40 3HG GLU 40 4.033 2.596 7.720 309 H LEU 41 HN LEU 41 4.258 3.989 2.613 310 HA LEU 41 HA LEU 41 7.103 4.340 2.626 311 HB2 LEU 41 2HB LEU 41 5.052 3.555 0.613 312 HB3 LEU 41 3HB LEU 41 6.638 4.075 0.046 313 HG LEU 41 HG LEU 41 6.413 1.621 0.214 314 HD11 LEU 41 1HD1 LEU 41 8.391 2.751 2.185 315 HD12 LEU 41 2HD1 LEU 41 8.597 2.769 0.434 316 HD13 LEU 41 3HD1 LEU 41 8.521 1.233 1.296 317 HD21 LEU 41 1HD2 LEU 41 5.769 0.531 2.071 318 HD22 LEU 41 2HD2 LEU 41 5.035 2.076 2.498 319 HD23 LEU 41 3HD2 LEU 41 6.618 1.643 3.146 320 H LEU 42 HN LEU 42 4.331 6.179 1.487 321 HA LEU 42 HA LEU 42 6.020 8.199 0.265 322 HB2 LEU 42 2HB LEU 42 3.039 7.929 0.575 323 HB3 LEU 42 3HB LEU 42 3.810 9.335 -0.156 324 HG LEU 42 HG LEU 42 4.373 6.618 -1.262 325 HD11 LEU 42 1HD1 LEU 42 2.441 6.943 -2.804 326 HD12 LEU 42 2HD1 LEU 42 1.879 8.238 -1.746 327 HD13 LEU 42 3HD1 LEU 42 1.987 6.586 -1.137 328 HD21 LEU 42 1HD2 LEU 42 4.428 9.453 -2.204 329 HD22 LEU 42 2HD2 LEU 42 4.266 8.141 -3.372 330 HD23 LEU 42 3HD2 LEU 42 5.674 8.209 -2.311 331 H ILE 43 HN ILE 43 3.415 8.293 2.705 332 HA ILE 43 HA ILE 43 3.655 10.777 3.702 333 HB ILE 43 HB ILE 43 2.730 8.278 4.758 334 HG12 ILE 43 2HG1 ILE 43 1.284 9.922 6.105 335 HG13 ILE 43 3HG1 ILE 43 2.142 11.194 5.243 336 HG21 ILE 43 1HG2 ILE 43 4.499 8.354 6.364 337 HG22 ILE 43 2HG2 ILE 43 4.183 10.054 6.709 338 HG23 ILE 43 3HG2 ILE 43 3.007 8.825 7.177 339 HD11 ILE 43 1HD1 ILE 43 0.992 10.853 3.359 340 HD12 ILE 43 2HD1 ILE 43 1.036 9.097 3.529 341 HD13 ILE 43 3HD1 ILE 43 -0.161 10.040 4.416 342 H LYS 44 HN LYS 44 6.022 8.263 3.983 343 HA LYS 44 HA LYS 44 7.537 9.574 6.059 344 HB2 LYS 44 2HB LYS 44 7.573 7.014 4.703 345 HB3 LYS 44 3HB LYS 44 9.190 7.700 4.800 346 HG2 LYS 44 2HG LYS 44 8.604 6.214 6.695 347 HG3 LYS 44 3HG LYS 44 9.060 7.848 7.182 348 HD2 LYS 44 2HD LYS 44 7.185 7.676 8.439 349 HD3 LYS 44 3HD LYS 44 6.407 8.177 6.936 350 HE2 LYS 44 2HE LYS 44 5.316 6.245 6.783 351 HE3 LYS 44 3HE LYS 44 6.809 5.326 6.971 352 HZ1 LYS 44 1HZ LYS 44 4.732 5.617 8.807 353 HZ2 LYS 44 2HZ LYS 44 6.079 6.403 9.460 354 HZ3 LYS 44 3HZ LYS 44 6.187 4.777 9.008 355 H GLU 45 HN GLU 45 8.316 8.703 2.684 356 HA GLU 45 HA GLU 45 10.622 9.967 2.240 357 HB2 GLU 45 2HB GLU 45 8.261 9.455 0.588 358 HB3 GLU 45 3HB GLU 45 9.234 10.800 0.010 359 HG2 GLU 45 2HG GLU 45 10.819 9.452 -0.760 360 HG3 GLU 45 3HG GLU 45 10.859 8.514 0.733 361 H GLY 46 HN GLY 46 7.527 11.696 1.783 362 HA2 GLY 46 1HA GLY 46 6.966 13.884 2.245 363 HA3 GLY 46 2HA GLY 46 8.467 14.026 3.149 364 H LEU 47 HN LEU 47 7.592 13.494 -0.270 365 HA LEU 47 HA LEU 47 9.235 15.832 -0.960 366 HB2 LEU 47 2HB LEU 47 10.444 14.733 -2.568 367 HB3 LEU 47 3HB LEU 47 10.303 13.489 -1.328 368 HG LEU 47 HG LEU 47 8.442 13.622 -3.687 369 HD11 LEU 47 1HD1 LEU 47 10.910 13.446 -4.311 370 HD12 LEU 47 2HD1 LEU 47 9.826 12.198 -4.922 371 HD13 LEU 47 3HD1 LEU 47 10.867 11.860 -3.538 372 HD21 LEU 47 1HD2 LEU 47 8.383 12.149 -1.358 373 HD22 LEU 47 2HD2 LEU 47 9.113 11.045 -2.523 374 HD23 LEU 47 3HD2 LEU 47 7.536 11.762 -2.856 375 H GLU 48 HN GLU 48 6.797 13.506 -2.075 376 HA GLU 48 HA GLU 48 5.054 15.522 -3.008 377 HB2 GLU 48 2HB GLU 48 5.222 15.315 -5.366 378 HB3 GLU 48 3HB GLU 48 6.858 15.579 -4.779 379 HG2 GLU 48 2HG GLU 48 7.572 13.591 -5.503 380 HG3 GLU 48 3HG GLU 48 6.107 12.762 -4.982 381 H THR 49 HN THR 49 4.028 13.842 -5.218 382 HA THR 49 HA THR 49 2.786 11.936 -5.594 383 HB THR 49 HB THR 49 3.222 11.008 -2.769 384 HG1 THR 49 1HG THR 49 5.297 11.077 -3.263 385 HG21 THR 49 1HG2 THR 49 1.804 9.972 -4.881 386 HG22 THR 49 2HG2 THR 49 2.396 9.052 -3.497 387 HG23 THR 49 3HG2 THR 49 3.338 9.108 -4.987 388 H ALA 50 HN ALA 50 2.483 13.645 -2.536 389 HA ALA 50 HA ALA 50 0.682 14.434 -1.387 390 HB1 ALA 50 1HB ALA 50 -0.918 14.077 -3.907 391 HB2 ALA 50 2HB ALA 50 -1.146 15.263 -2.621 392 HB3 ALA 50 3HB ALA 50 0.246 15.386 -3.696 393 H ILE 51 HN ILE 51 1.052 11.387 -2.123 394 HA ILE 51 HA ILE 51 -0.098 9.411 -1.828 395 HB ILE 51 HB ILE 51 -0.813 10.971 0.655 396 HG12 ILE 51 2HG1 ILE 51 1.071 9.803 1.657 397 HG13 ILE 51 3HG1 ILE 51 1.338 8.899 0.171 398 HG21 ILE 51 1HG2 ILE 51 -0.951 7.992 0.210 399 HG22 ILE 51 2HG2 ILE 51 -1.305 8.848 1.710 400 HG23 ILE 51 3HG2 ILE 51 -2.341 9.074 0.301 401 HD11 ILE 51 1HD1 ILE 51 2.762 11.029 0.795 402 HD12 ILE 51 2HD1 ILE 51 2.333 10.651 -0.874 403 HD13 ILE 51 3HD1 ILE 51 1.411 11.857 0.022 404 H SER 52 HN SER 52 -1.626 9.430 -3.490 405 HA SER 52 HA SER 52 -4.270 10.529 -2.881 406 HB2 SER 52 2HB SER 52 -3.946 9.223 -5.481 407 HB3 SER 52 3HB SER 52 -4.524 10.845 -5.100 408 HG SER 52 HG SER 52 -2.286 10.313 -6.209 409 H CYS 53 HN CYS 53 -6.181 9.240 -3.253 410 HA CYS 53 HA CYS 53 -6.423 6.961 -1.857 411 HB2 CYS 53 2HB CYS 53 -8.338 8.129 -2.838 412 HB3 CYS 53 3HB CYS 53 -7.878 7.563 -4.440 413 HA PRO 54 HA PRO 54 -4.061 3.842 -3.904 414 HB2 PRO 54 2HB PRO 54 -5.106 1.688 -2.624 415 HB3 PRO 54 3HB PRO 54 -3.965 2.800 -1.858 416 HG2 PRO 54 2HG PRO 54 -6.948 2.690 -1.628 417 HG3 PRO 54 3HG PRO 54 -5.736 2.939 -0.358 418 HD2 PRO 54 2HD PRO 54 -7.141 4.979 -1.451 419 HD3 PRO 54 3HD PRO 54 -5.475 5.171 -0.870 420 H ASP 55 HN ASP 55 -7.236 4.502 -4.457 421 HA ASP 55 HA ASP 55 -7.595 2.186 -6.242 422 HB2 ASP 55 2HB ASP 55 -9.332 3.258 -4.334 423 HB3 ASP 55 3HB ASP 55 -9.973 3.808 -5.880 424 H ALA 56 HN ALA 56 -7.891 2.489 -8.389 425 HA ALA 56 HA ALA 56 -7.299 5.123 -9.442 426 HB1 ALA 56 1HB ALA 56 -7.249 2.363 -10.459 427 HB2 ALA 56 2HB ALA 56 -7.680 3.600 -11.642 428 HB3 ALA 56 3HB ALA 56 -6.153 3.710 -10.767 429 H ALA 57 HN ALA 57 -10.023 2.941 -9.212 430 HA ALA 57 HA ALA 57 -11.689 4.217 -11.113 431 HB1 ALA 57 1HB ALA 57 -11.947 1.892 -10.086 432 HB2 ALA 57 2HB ALA 57 -12.706 2.715 -8.724 433 HB3 ALA 57 3HB ALA 57 -13.414 2.840 -10.334 434 H CYS 58 HN CYS 58 -11.018 4.791 -7.728 435 HA CYS 58 HA CYS 58 -13.018 6.200 -6.701 436 HB2 CYS 58 2HB CYS 58 -10.646 5.996 -5.797 437 HB3 CYS 58 3HB CYS 58 -10.258 7.420 -6.758 438 HA PRO 59 HA PRO 59 -13.779 9.061 -10.151 439 HB2 PRO 59 2HB PRO 59 -16.377 9.490 -9.488 440 HB3 PRO 59 3HB PRO 59 -15.842 8.084 -10.416 441 HG2 PRO 59 2HG PRO 59 -16.465 8.301 -7.495 442 HG3 PRO 59 3HG PRO 59 -16.902 7.019 -8.640 443 HD2 PRO 59 2HD PRO 59 -14.832 6.785 -6.909 444 HD3 PRO 59 3HD PRO 59 -14.824 6.027 -8.514 445 H LYS 60 HN LYS 60 -13.367 9.439 -6.904 446 HA LYS 60 HA LYS 60 -14.137 12.279 -6.929 447 HB2 LYS 60 2HB LYS 60 -15.167 11.273 -5.075 448 HB3 LYS 60 3HB LYS 60 -13.758 10.285 -4.712 449 HG2 LYS 60 2HG LYS 60 -12.987 11.809 -3.307 450 HG3 LYS 60 3HG LYS 60 -13.064 13.061 -4.550 451 HD2 LYS 60 2HD LYS 60 -14.421 13.544 -2.507 452 HD3 LYS 60 3HD LYS 60 -15.343 13.551 -4.012 453 HE2 LYS 60 2HE LYS 60 -15.421 10.910 -3.079 454 HE3 LYS 60 3HE LYS 60 -15.683 11.925 -1.660 455 HZ1 LYS 60 1HZ LYS 60 -17.183 12.324 -4.180 456 HZ2 LYS 60 2HZ LYS 60 -17.552 12.914 -2.638 457 HZ3 LYS 60 3HZ LYS 60 -17.718 11.264 -2.974 458 H GLN 61 HN GLN 61 -11.482 10.055 -6.270 459 HA GLN 61 HA GLN 61 -9.224 10.354 -6.282 460 HB2 GLN 61 2HB GLN 61 -9.558 13.203 -7.156 461 HB3 GLN 61 3HB GLN 61 -8.286 12.060 -7.565 462 HG2 GLN 61 2HG GLN 61 -10.180 10.764 -8.765 463 HG3 GLN 61 3HG GLN 61 -11.040 12.301 -8.688 464 HE21 GLN 61 1HE2 GLN 61 -8.583 13.858 -8.903 465 HE22 GLN 61 2HE2 GLN 61 -8.094 13.755 -10.556 466 H GLY 62 HN GLY 62 -10.340 10.535 -3.873 467 HA2 GLY 62 1HA GLY 62 -9.736 13.008 -2.536 468 HA3 GLY 62 2HA GLY 62 -10.237 11.506 -1.776 469 H HIS 63 HN HIS 63 -7.780 13.661 -1.969 470 HA HIS 63 HA HIS 63 -5.567 11.804 -1.877 471 HB2 HIS 63 2HB HIS 63 -5.771 14.793 -1.506 472 HB3 HIS 63 3HB HIS 63 -4.260 13.910 -1.307 473 HD1 HIS 63 1HD HIS 63 -6.873 14.599 -3.966 474 HD2 HIS 63 2HD HIS 63 -2.887 13.479 -3.622 475 HE1 HIS 63 1HE HIS 63 -5.967 14.608 -6.312 476 H LEU 64 HN LEU 64 -3.993 11.963 -0.019 477 HA LEU 64 HA LEU 64 -5.485 11.989 2.521 478 HB2 LEU 64 2HB LEU 64 -3.134 10.327 1.643 479 HB3 LEU 64 3HB LEU 64 -3.698 10.408 3.310 480 HG LEU 64 HG LEU 64 -5.703 9.651 1.268 481 HD11 LEU 64 1HD1 LEU 64 -4.787 7.224 1.652 482 HD12 LEU 64 2HD1 LEU 64 -3.251 8.066 1.855 483 HD13 LEU 64 3HD1 LEU 64 -4.155 8.233 0.351 484 HD21 LEU 64 1HD2 LEU 64 -6.760 8.779 3.040 485 HD22 LEU 64 2HD2 LEU 64 -5.626 9.736 3.993 486 HD23 LEU 64 3HD2 LEU 64 -5.292 8.033 3.672 487 H GLN 65 HN GLN 65 -4.228 12.557 4.448 488 HA GLN 65 HA GLN 65 -2.591 14.885 3.929 489 HB2 GLN 65 2HB GLN 65 -2.821 14.062 6.719 490 HB3 GLN 65 3HB GLN 65 -3.258 15.585 5.956 491 HG2 GLN 65 2HG GLN 65 -5.290 14.846 6.708 492 HG3 GLN 65 3HG GLN 65 -5.289 14.243 5.052 493 HE21 GLN 65 1HE2 GLN 65 -3.223 12.217 5.924 494 HE22 GLN 65 2HE2 GLN 65 -4.148 10.975 6.690 495 H GLU 66 HN GLU 66 -0.591 15.217 5.288 496 HA GLU 66 HA GLU 66 1.130 12.892 4.942 497 HB2 GLU 66 2HB GLU 66 1.499 15.807 5.020 498 HB3 GLU 66 3HB GLU 66 2.765 14.897 5.832 499 HG2 GLU 66 2HG GLU 66 3.626 14.149 3.915 500 HG3 GLU 66 3HG GLU 66 2.041 13.826 3.216 501 H ASN 67 HN ASN 67 -0.147 14.953 7.469 502 HA ASN 67 HA ASN 67 1.465 13.647 9.511 503 HB2 ASN 67 2HB ASN 67 1.266 15.899 10.029 504 HB3 ASN 67 3HB ASN 67 -0.398 15.991 9.458 505 HD21 ASN 67 1HD2 ASN 67 -2.065 15.384 10.810 506 HD22 ASN 67 2HD2 ASN 67 -1.844 15.140 12.507 507 H GLU 68 HN GLU 68 -2.026 14.272 9.079 508 HA GLU 68 HA GLU 68 -3.086 12.666 10.981 509 HB2 GLU 68 2HB GLU 68 -3.980 13.682 8.412 510 HB3 GLU 68 3HB GLU 68 -4.710 12.126 8.780 511 HG2 GLU 68 2HG GLU 68 -4.694 14.265 10.854 512 HG3 GLU 68 3HG GLU 68 -5.859 14.335 9.534 513 H ILE 69 HN ILE 69 -1.733 11.623 7.904 514 HA ILE 69 HA ILE 69 -2.515 8.889 8.196 515 HB ILE 69 HB ILE 69 -0.657 10.335 6.342 516 HG12 ILE 69 2HG1 ILE 69 -3.367 9.223 6.284 517 HG13 ILE 69 3HG1 ILE 69 -2.648 10.486 5.291 518 HG21 ILE 69 1HG2 ILE 69 -0.992 7.345 6.522 519 HG22 ILE 69 2HG2 ILE 69 -0.167 8.205 5.223 520 HG23 ILE 69 3HG2 ILE 69 0.479 8.256 6.863 521 HD11 ILE 69 1HD1 ILE 69 -2.258 7.532 4.878 522 HD12 ILE 69 2HD1 ILE 69 -3.385 8.551 3.982 523 HD13 ILE 69 3HD1 ILE 69 -1.649 8.829 3.850 524 H GLU 70 HN GLU 70 0.711 10.419 8.241 525 HA GLU 70 HA GLU 70 2.180 8.273 9.129 526 HB2 GLU 70 2HB GLU 70 3.895 9.753 9.539 527 HB3 GLU 70 3HB GLU 70 2.877 10.718 8.481 528 HG2 GLU 70 2HG GLU 70 1.931 11.868 10.391 529 HG3 GLU 70 3HG GLU 70 2.879 10.863 11.486 530 H CYS 71 HN CYS 71 -0.191 10.032 10.838 531 HA CYS 71 HA CYS 71 0.777 9.466 13.480 532 HB2 CYS 71 2HB CYS 71 -1.033 11.243 12.472 533 HB3 CYS 71 3HB CYS 71 -2.099 10.019 13.153 534 HG CYS 71 HG CYS 71 0.265 11.830 14.836 535 H MET 72 HN MET 72 -1.417 7.955 11.203 536 HA MET 72 HA MET 72 -2.406 6.040 13.116 537 HB2 MET 72 2HB MET 72 -3.826 5.300 11.447 538 HB3 MET 72 3HB MET 72 -3.577 6.975 10.977 539 HG2 MET 72 2HG MET 72 -1.554 5.752 9.652 540 HG3 MET 72 3HG MET 72 -2.790 4.497 9.631 541 HE1 MET 72 1HE MET 72 -2.016 5.056 7.037 542 HE2 MET 72 2HE MET 72 -3.665 4.429 7.068 543 HE3 MET 72 3HE MET 72 -3.273 5.830 6.069 544 H VAL 73 HN VAL 73 0.530 6.368 11.877 545 HA VAL 73 HA VAL 73 1.019 3.474 11.891 546 HB VAL 73 HB VAL 73 2.797 3.911 10.097 547 HG11 VAL 73 1HG1 VAL 73 0.018 4.243 9.033 548 HG12 VAL 73 2HG1 VAL 73 1.338 3.243 8.422 549 HG13 VAL 73 3HG1 VAL 73 0.481 2.772 9.889 550 HG21 VAL 73 1HG2 VAL 73 1.623 5.850 8.583 551 HG22 VAL 73 2HG2 VAL 73 1.443 6.508 10.209 552 HG23 VAL 73 3HG2 VAL 73 3.044 6.087 9.601 553 H ALA 74 HN ALA 74 2.766 6.578 11.624 554 HA ALA 74 HA ALA 74 4.755 5.550 13.522 555 HB1 ALA 74 1HB ALA 74 5.987 6.319 11.765 556 HB2 ALA 74 2HB ALA 74 4.820 7.576 11.351 557 HB3 ALA 74 3HB ALA 74 5.902 7.795 12.726 558 H ALA 75 HN ALA 75 2.413 6.151 14.743 559 HA ALA 75 HA ALA 75 1.913 8.725 15.590 560 HB1 ALA 75 1HB ALA 75 1.364 7.328 17.846 561 HB2 ALA 75 2HB ALA 75 0.301 7.412 16.441 562 HB3 ALA 75 3HB ALA 75 1.385 6.037 16.645 Start of MODEL 13 1 H1 ALA 1 HN ALA 1 -19.284 -20.163 1.271 2 HA ALA 1 HA ALA 1 -20.313 -17.817 -0.040 3 HB1 ALA 1 1HB ALA 1 -20.766 -19.467 -1.763 4 HB2 ALA 1 2HB ALA 1 -21.606 -20.485 -0.593 5 HB3 ALA 1 3HB ALA 1 -22.272 -18.911 -1.032 6 H LEU 2 HN LEU 2 -20.564 -17.013 2.041 7 HA LEU 2 HA LEU 2 -22.909 -18.023 3.452 8 HB2 LEU 2 2HB LEU 2 -20.604 -17.268 5.154 9 HB3 LEU 2 3HB LEU 2 -21.906 -18.413 5.459 10 HG LEU 2 HG LEU 2 -20.649 -19.795 3.586 11 HD11 LEU 2 1HD1 LEU 2 -18.193 -18.786 4.822 12 HD12 LEU 2 2HD1 LEU 2 -18.966 -17.663 3.703 13 HD13 LEU 2 3HD1 LEU 2 -18.512 -19.278 3.158 14 HD21 LEU 2 1HD2 LEU 2 -20.676 -21.059 5.422 15 HD22 LEU 2 2HD2 LEU 2 -20.510 -19.663 6.487 16 HD23 LEU 2 3HD2 LEU 2 -19.077 -20.399 5.766 17 H ASP 3 HN ASP 3 -20.327 -15.569 3.585 18 HA ASP 3 HA ASP 3 -22.151 -13.411 3.310 19 HB2 ASP 3 2HB ASP 3 -21.417 -12.478 5.675 20 HB3 ASP 3 3HB ASP 3 -22.825 -13.524 5.508 21 HA PRO 4 HA PRO 4 -17.730 -12.601 2.211 22 HB2 PRO 4 2HB PRO 4 -18.297 -11.551 -0.227 23 HB3 PRO 4 3HB PRO 4 -18.093 -13.285 0.048 24 HG2 PRO 4 2HG PRO 4 -20.614 -11.683 -0.172 25 HG3 PRO 4 3HG PRO 4 -20.230 -13.267 -0.872 26 HD2 PRO 4 2HD PRO 4 -21.722 -12.989 1.370 27 HD3 PRO 4 3HD PRO 4 -20.656 -14.382 1.100 28 H LEU 5 HN LEU 5 -17.160 -10.362 0.812 29 HA LEU 5 HA LEU 5 -18.658 -8.066 1.405 30 HB2 LEU 5 2HB LEU 5 -17.814 -8.908 3.715 31 HB3 LEU 5 3HB LEU 5 -16.269 -8.238 3.197 32 HG LEU 5 HG LEU 5 -17.141 -6.033 3.145 33 HD11 LEU 5 1HD1 LEU 5 -19.669 -5.863 3.937 34 HD12 LEU 5 2HD1 LEU 5 -19.758 -7.425 3.121 35 HD13 LEU 5 3HD1 LEU 5 -19.221 -5.996 2.236 36 HD21 LEU 5 1HD2 LEU 5 -16.618 -6.339 5.339 37 HD22 LEU 5 2HD2 LEU 5 -17.749 -7.676 5.541 38 HD23 LEU 5 3HD2 LEU 5 -18.344 -6.016 5.506 39 H VAL 6 HN VAL 6 -15.254 -9.131 1.380 40 HA VAL 6 HA VAL 6 -13.413 -8.212 0.358 41 HB VAL 6 HB VAL 6 -14.303 -9.549 -1.444 42 HG11 VAL 6 1HG1 VAL 6 -16.014 -7.142 -2.041 43 HG12 VAL 6 2HG1 VAL 6 -15.793 -8.491 -3.156 44 HG13 VAL 6 3HG1 VAL 6 -16.550 -8.758 -1.585 45 HG21 VAL 6 1HG2 VAL 6 -12.578 -7.442 -1.752 46 HG22 VAL 6 2HG2 VAL 6 -12.863 -8.712 -2.942 47 HG23 VAL 6 3HG2 VAL 6 -13.733 -7.183 -3.059 48 H SER 7 HN SER 7 -14.214 -6.237 1.826 49 HA SER 7 HA SER 7 -15.164 -3.921 0.513 50 HB2 SER 7 2HB SER 7 -14.477 -4.655 3.155 51 HB3 SER 7 3HB SER 7 -13.504 -3.239 2.761 52 HG SER 7 HG SER 7 -16.204 -3.453 3.170 53 H CYS 8 HN CYS 8 -11.928 -4.279 1.950 54 HA CYS 8 HA CYS 8 -10.646 -2.241 0.699 55 HB2 CYS 8 2HB CYS 8 -9.700 -3.855 2.414 56 HB3 CYS 8 3HB CYS 8 -9.351 -4.941 1.074 57 H LYS 9 HN LYS 9 -9.374 -1.994 -1.176 58 HA LYS 9 HA LYS 9 -10.023 -3.881 -3.345 59 HB2 LYS 9 2HB LYS 9 -9.357 -1.111 -4.107 60 HB3 LYS 9 3HB LYS 9 -10.586 -2.192 -4.750 61 HG2 LYS 9 2HG LYS 9 -11.716 -1.717 -2.409 62 HG3 LYS 9 3HG LYS 9 -10.744 -0.246 -2.516 63 HD2 LYS 9 2HD LYS 9 -11.925 0.567 -4.291 64 HD3 LYS 9 3HD LYS 9 -12.307 -1.041 -4.912 65 HE2 LYS 9 2HE LYS 9 -14.033 -1.346 -3.330 66 HE3 LYS 9 3HE LYS 9 -13.502 0.036 -2.373 67 HZ1 LYS 9 1HZ LYS 9 -15.451 0.052 -4.281 68 HZ2 LYS 9 2HZ LYS 9 -14.129 0.760 -5.064 69 HZ3 LYS 9 3HZ LYS 9 -14.702 1.414 -3.613 70 H LEU 10 HN LEU 10 -7.670 -3.597 -1.461 71 HA LEU 10 HA LEU 10 -5.576 -3.327 -3.518 72 HB2 LEU 10 2HB LEU 10 -5.563 -2.668 -0.591 73 HB3 LEU 10 3HB LEU 10 -4.066 -2.947 -1.479 74 HG LEU 10 HG LEU 10 -6.032 -0.885 -2.409 75 HD11 LEU 10 1HD1 LEU 10 -5.111 -0.764 0.119 76 HD12 LEU 10 2HD1 LEU 10 -5.428 0.653 -0.881 77 HD13 LEU 10 3HD1 LEU 10 -3.786 0.025 -0.737 78 HD21 LEU 10 1HD2 LEU 10 -3.119 -0.506 -2.587 79 HD22 LEU 10 2HD2 LEU 10 -4.380 -0.212 -3.784 80 HD23 LEU 10 3HD2 LEU 10 -3.769 -1.847 -3.530 81 H CYS 11 HN CYS 11 -7.043 -5.334 -1.145 82 HA CYS 11 HA CYS 11 -5.117 -7.459 -1.783 83 HB2 CYS 11 2HB CYS 11 -5.140 -8.243 0.520 84 HB3 CYS 11 3HB CYS 11 -4.604 -6.566 0.467 85 H LEU 12 HN LEU 12 -8.323 -6.630 -0.536 86 HA LEU 12 HA LEU 12 -10.347 -7.649 -0.735 87 HB2 LEU 12 2HB LEU 12 -9.179 -9.449 -2.828 88 HB3 LEU 12 3HB LEU 12 -10.830 -8.849 -2.684 89 HG LEU 12 HG LEU 12 -9.259 -6.567 -3.025 90 HD11 LEU 12 1HD1 LEU 12 -8.140 -8.901 -4.458 91 HD12 LEU 12 2HD1 LEU 12 -7.354 -7.426 -3.898 92 HD13 LEU 12 3HD1 LEU 12 -8.320 -7.405 -5.373 93 HD21 LEU 12 1HD2 LEU 12 -10.569 -6.239 -4.919 94 HD22 LEU 12 2HD2 LEU 12 -11.569 -7.285 -3.911 95 HD23 LEU 12 3HD2 LEU 12 -10.671 -7.965 -5.268 96 H GLY 13 HN GLY 13 -9.705 -8.520 1.421 97 HA2 GLY 13 1HA GLY 13 -9.612 -11.470 1.302 98 HA3 GLY 13 2HA GLY 13 -8.673 -10.566 2.481 99 H GLU 14 HN GLU 14 -11.761 -9.287 1.740 100 HA GLU 14 HA GLU 14 -13.652 -9.028 2.979 101 HB2 GLU 14 2HB GLU 14 -13.813 -11.470 2.410 102 HB3 GLU 14 3HB GLU 14 -13.079 -11.824 3.966 103 HG2 GLU 14 2HG GLU 14 -15.247 -10.078 4.440 104 HG3 GLU 14 3HG GLU 14 -15.809 -11.339 3.344 105 H TYR 15 HN TYR 15 -13.582 -7.607 4.582 106 HA TYR 15 HA TYR 15 -12.699 -8.467 7.215 107 HB2 TYR 15 2HB TYR 15 -11.584 -5.923 6.036 108 HB3 TYR 15 3HB TYR 15 -11.149 -6.683 7.562 109 HD1 TYR 15 1HD TYR 15 -9.842 -8.809 7.548 110 HD2 TYR 15 2HD TYR 15 -10.549 -6.574 3.998 111 HE1 TYR 15 1HE TYR 15 -8.013 -10.015 6.431 112 HE2 TYR 15 2HE TYR 15 -8.723 -7.775 2.871 113 HH TYR 15 HH TYR 15 -6.393 -9.260 4.217 114 HA PRO 16 HA PRO 16 -16.101 -6.022 8.534 115 HB2 PRO 16 2HB PRO 16 -15.311 -5.389 11.053 116 HB3 PRO 16 3HB PRO 16 -15.843 -7.010 10.593 117 HG2 PRO 16 2HG PRO 16 -13.063 -5.945 10.901 118 HG3 PRO 16 3HG PRO 16 -13.731 -7.499 11.432 119 HD2 PRO 16 2HD PRO 16 -12.243 -7.245 9.184 120 HD3 PRO 16 3HD PRO 16 -13.551 -8.437 9.334 121 H VAL 17 HN VAL 17 -16.762 -3.883 9.059 122 HA VAL 17 HA VAL 17 -15.131 -1.849 7.930 123 HB VAL 17 HB VAL 17 -17.814 -2.102 8.398 124 HG11 VAL 17 1HG1 VAL 17 -16.976 0.200 10.131 125 HG12 VAL 17 2HG1 VAL 17 -18.564 -0.557 9.984 126 HG13 VAL 17 3HG1 VAL 17 -17.254 -1.408 10.802 127 HG21 VAL 17 1HG2 VAL 17 -17.987 0.174 7.490 128 HG22 VAL 17 2HG2 VAL 17 -16.270 0.423 7.807 129 HG23 VAL 17 3HG2 VAL 17 -16.783 -0.787 6.631 130 H GLU 18 HN GLU 18 -15.152 -3.250 10.978 131 HA GLU 18 HA GLU 18 -14.232 -0.843 12.353 132 HB2 GLU 18 2HB GLU 18 -14.358 -2.148 14.387 133 HB3 GLU 18 3HB GLU 18 -15.852 -2.337 13.480 134 HG2 GLU 18 2HG GLU 18 -15.580 -4.534 13.288 135 HG3 GLU 18 3HG GLU 18 -13.890 -4.367 12.814 136 H GLN 19 HN GLN 19 -12.814 -2.785 10.297 137 HA GLN 19 HA GLN 19 -10.277 -2.863 11.791 138 HB2 GLN 19 2HB GLN 19 -11.500 -4.900 9.962 139 HB3 GLN 19 3HB GLN 19 -9.752 -4.801 10.126 140 HG2 GLN 19 2HG GLN 19 -9.947 -5.167 12.527 141 HG3 GLN 19 3HG GLN 19 -11.701 -5.253 12.373 142 HE21 GLN 19 1HE2 GLN 19 -11.040 -7.351 13.496 143 HE22 GLN 19 2HE2 GLN 19 -10.792 -8.713 12.463 144 H MET 20 HN MET 20 -11.893 -1.370 9.379 145 HA MET 20 HA MET 20 -9.485 -1.010 7.724 146 HB2 MET 20 2HB MET 20 -12.046 0.026 6.703 147 HB3 MET 20 3HB MET 20 -10.780 -0.867 5.872 148 HG2 MET 20 2HG MET 20 -11.672 -2.872 7.286 149 HG3 MET 20 3HG MET 20 -13.124 -1.880 7.400 150 HE1 MET 20 1HE MET 20 -10.533 -3.499 5.323 151 HE2 MET 20 2HE MET 20 -11.358 -4.063 3.868 152 HE3 MET 20 3HE MET 20 -10.727 -2.416 3.945 153 H THR 21 HN THR 21 -9.515 1.254 6.624 154 HA THR 21 HA THR 21 -10.378 3.323 8.515 155 HB THR 21 HB THR 21 -7.565 2.936 7.501 156 HG1 THR 21 1HG THR 21 -8.241 3.611 10.137 157 HG21 THR 21 1HG2 THR 21 -7.241 5.174 8.813 158 HG22 THR 21 2HG2 THR 21 -8.947 5.418 8.438 159 HG23 THR 21 3HG2 THR 21 -7.778 5.210 7.134 160 H THR 22 HN THR 22 -11.178 5.101 7.561 161 HA THR 22 HA THR 22 -11.605 5.129 4.753 162 HB THR 22 HB THR 22 -12.058 7.316 6.793 163 HG1 THR 22 1HG THR 22 -13.407 5.028 6.138 164 HG21 THR 22 1HG2 THR 22 -12.728 7.083 3.883 165 HG22 THR 22 2HG2 THR 22 -12.082 8.461 4.774 166 HG23 THR 22 3HG2 THR 22 -13.774 8.002 4.964 167 H ILE 23 HN ILE 23 -10.957 6.797 3.259 168 HA ILE 23 HA ILE 23 -8.175 7.298 3.307 169 HB ILE 23 HB ILE 23 -10.378 8.340 1.538 170 HG12 ILE 23 2HG1 ILE 23 -9.844 5.993 1.237 171 HG13 ILE 23 3HG1 ILE 23 -9.238 6.904 -0.142 172 HG21 ILE 23 1HG2 ILE 23 -7.932 8.774 0.259 173 HG22 ILE 23 2HG2 ILE 23 -9.048 9.991 0.876 174 HG23 ILE 23 3HG2 ILE 23 -7.730 9.409 1.892 175 HD11 ILE 23 1HD1 ILE 23 -7.674 5.739 2.138 176 HD12 ILE 23 2HD1 ILE 23 -7.568 5.344 0.422 177 HD13 ILE 23 3HD1 ILE 23 -6.996 6.908 1.004 178 H ALA 24 HN ALA 24 -10.202 10.001 2.482 179 HA ALA 24 HA ALA 24 -10.338 11.559 4.678 180 HB1 ALA 24 1HB ALA 24 -8.181 11.593 5.383 181 HB2 ALA 24 2HB ALA 24 -7.529 11.342 3.763 182 HB3 ALA 24 3HB ALA 24 -8.101 12.939 4.246 183 H GLN 25 HN GLN 25 -11.424 11.246 2.044 184 HA GLN 25 HA GLN 25 -12.073 13.867 1.409 185 HB2 GLN 25 2HB GLN 25 -9.538 13.038 0.312 186 HB3 GLN 25 3HB GLN 25 -10.680 13.369 -0.983 187 HG2 GLN 25 2HG GLN 25 -9.797 15.233 1.202 188 HG3 GLN 25 3HG GLN 25 -9.478 15.368 -0.527 189 HE21 GLN 25 1HE2 GLN 25 -11.550 16.181 2.010 190 HE22 GLN 25 2HE2 GLN 25 -12.809 16.908 1.079 191 H CYS 26 HN CYS 26 -11.438 10.687 -0.018 192 HA CYS 26 HA CYS 26 -13.792 10.941 -1.723 193 HB2 CYS 26 2HB CYS 26 -13.047 8.843 -2.737 194 HB3 CYS 26 3HB CYS 26 -11.733 10.014 -2.698 195 H GLN 27 HN GLN 27 -12.741 9.388 1.192 196 HA GLN 27 HA GLN 27 -13.914 8.277 2.803 197 HB2 GLN 27 2HB GLN 27 -16.379 8.534 1.090 198 HB3 GLN 27 3HB GLN 27 -16.290 8.326 2.834 199 HG2 GLN 27 2HG GLN 27 -15.080 10.747 1.590 200 HG3 GLN 27 3HG GLN 27 -16.828 10.656 1.795 201 HE21 GLN 27 1HE2 GLN 27 -13.749 10.580 3.471 202 HE22 GLN 27 2HE2 GLN 27 -14.362 11.060 5.013 203 H CYS 28 HN CYS 28 -12.444 6.709 1.341 204 HA CYS 28 HA CYS 28 -14.128 4.538 0.310 205 HB2 CYS 28 2HB CYS 28 -11.223 5.239 -0.068 206 HB3 CYS 28 3HB CYS 28 -11.853 3.652 -0.499 207 H ILE 29 HN ILE 29 -12.753 2.325 0.640 208 HA ILE 29 HA ILE 29 -12.156 2.138 3.518 209 HB ILE 29 HB ILE 29 -14.410 1.096 2.446 210 HG12 ILE 29 2HG1 ILE 29 -14.363 -0.493 4.416 211 HG13 ILE 29 3HG1 ILE 29 -12.706 0.029 4.702 212 HG21 ILE 29 1HG2 ILE 29 -12.390 -1.144 2.385 213 HG22 ILE 29 2HG2 ILE 29 -14.128 -1.297 2.129 214 HG23 ILE 29 3HG2 ILE 29 -13.143 -0.402 0.972 215 HD11 ILE 29 1HD1 ILE 29 -13.350 2.137 5.371 216 HD12 ILE 29 2HD1 ILE 29 -14.897 2.045 4.528 217 HD13 ILE 29 3HD1 ILE 29 -14.645 1.126 6.011 218 H PHE 30 HN PHE 30 -10.243 1.275 3.969 219 HA PHE 30 HA PHE 30 -9.100 -0.789 2.290 220 HB2 PHE 30 2HB PHE 30 -7.757 1.895 2.645 221 HB3 PHE 30 3HB PHE 30 -6.937 0.458 2.044 222 HD1 PHE 30 1HD PHE 30 -8.015 -0.681 -0.029 223 HD2 PHE 30 2HD PHE 30 -8.765 3.337 1.158 224 HE1 PHE 30 1HE PHE 30 -8.756 -0.148 -2.314 225 HE2 PHE 30 2HE PHE 30 -9.509 3.877 -1.125 226 HZ PHE 30 HZ PHE 30 -9.505 2.132 -2.864 227 H CYS 31 HN CYS 31 -8.186 -2.261 3.555 228 HA CYS 31 HA CYS 31 -8.054 -2.044 6.333 229 HB2 CYS 31 2HB CYS 31 -6.999 -4.171 6.326 230 HB3 CYS 31 3HB CYS 31 -8.079 -4.166 4.935 231 H THR 32 HN THR 32 -6.602 -1.233 7.707 232 HA THR 32 HA THR 32 -4.720 0.589 7.217 233 HB THR 32 HB THR 32 -3.903 -1.465 9.222 234 HG1 THR 32 1HG THR 32 -6.317 0.024 9.252 235 HG21 THR 32 1HG2 THR 32 -4.325 1.373 9.920 236 HG22 THR 32 2HG2 THR 32 -3.072 1.055 8.720 237 HG23 THR 32 3HG2 THR 32 -2.984 0.295 10.309 238 H LEU 33 HN LEU 33 -4.060 -2.906 7.218 239 HA LEU 33 HA LEU 33 -1.396 -3.033 6.809 240 HB2 LEU 33 2HB LEU 33 -3.684 -4.636 5.940 241 HB3 LEU 33 3HB LEU 33 -2.253 -4.828 4.927 242 HG LEU 33 HG LEU 33 -1.723 -5.022 7.805 243 HD11 LEU 33 1HD1 LEU 33 -3.895 -6.558 6.599 244 HD12 LEU 33 2HD1 LEU 33 -3.478 -6.316 8.296 245 HD13 LEU 33 3HD1 LEU 33 -2.650 -7.554 7.352 246 HD21 LEU 33 1HD2 LEU 33 -0.048 -6.328 7.089 247 HD22 LEU 33 2HD2 LEU 33 -0.439 -5.683 5.494 248 HD23 LEU 33 3HD2 LEU 33 -1.092 -7.243 6.000 249 H CYS 34 HN CYS 34 -3.600 -3.017 4.005 250 HA CYS 34 HA CYS 34 -1.595 -2.330 2.151 251 HB2 CYS 34 2HB CYS 34 -4.549 -1.791 1.825 252 HB3 CYS 34 3HB CYS 34 -3.361 -2.075 0.556 253 H LEU 35 HN LEU 35 -4.271 -0.324 3.400 254 HA LEU 35 HA LEU 35 -3.548 2.083 2.272 255 HB2 LEU 35 2HB LEU 35 -5.629 1.586 3.562 256 HB3 LEU 35 3HB LEU 35 -4.685 1.748 5.042 257 HG LEU 35 HG LEU 35 -4.324 4.081 4.633 258 HD11 LEU 35 1HD1 LEU 35 -4.001 4.372 2.371 259 HD12 LEU 35 2HD1 LEU 35 -5.607 5.065 2.593 260 HD13 LEU 35 3HD1 LEU 35 -5.433 3.438 1.936 261 HD21 LEU 35 1HD2 LEU 35 -6.300 4.453 5.565 262 HD22 LEU 35 2HD2 LEU 35 -6.899 2.914 4.945 263 HD23 LEU 35 3HD2 LEU 35 -7.063 4.378 3.976 264 H LYS 36 HN LYS 36 -1.904 0.318 4.676 265 HA LYS 36 HA LYS 36 -0.483 2.625 5.734 266 HB2 LYS 36 2HB LYS 36 -1.071 0.868 7.297 267 HB3 LYS 36 3HB LYS 36 -0.242 -0.332 6.314 268 HG2 LYS 36 2HG LYS 36 1.883 0.921 6.734 269 HG3 LYS 36 3HG LYS 36 0.990 1.918 7.885 270 HD2 LYS 36 2HD LYS 36 1.126 -1.088 8.051 271 HD3 LYS 36 3HD LYS 36 2.261 -0.017 8.879 272 HE2 LYS 36 2HE LYS 36 0.687 0.724 10.363 273 HE3 LYS 36 3HE LYS 36 -0.649 0.475 9.241 274 HZ1 LYS 36 1HZ LYS 36 -0.299 -1.957 9.570 275 HZ2 LYS 36 2HZ LYS 36 -0.838 -1.137 10.947 276 HZ3 LYS 36 3HZ LYS 36 0.786 -1.589 10.814 277 H GLN 37 HN GLN 37 0.701 -0.514 4.532 278 HA GLN 37 HA GLN 37 3.266 0.192 3.940 279 HB2 GLN 37 2HB GLN 37 1.521 -1.959 3.272 280 HB3 GLN 37 3HB GLN 37 2.387 -1.490 1.816 281 HG2 GLN 37 2HG GLN 37 3.967 -2.871 2.572 282 HG3 GLN 37 3HG GLN 37 4.399 -1.529 3.630 283 HE21 GLN 37 1HE2 GLN 37 2.296 -4.368 3.462 284 HE22 GLN 37 2HE2 GLN 37 2.397 -4.761 5.141 285 H TYR 38 HN TYR 38 0.417 1.228 2.334 286 HA TYR 38 HA TYR 38 1.726 1.986 -0.122 287 HB2 TYR 38 2HB TYR 38 -0.412 1.786 -0.772 288 HB3 TYR 38 3HB TYR 38 -0.999 1.868 0.886 289 HD1 TYR 38 1HD TYR 38 -2.639 3.464 1.123 290 HD2 TYR 38 2HD TYR 38 0.676 4.305 -1.409 291 HE1 TYR 38 1HE TYR 38 -3.542 5.712 0.697 292 HE2 TYR 38 2HE TYR 38 -0.217 6.556 -1.840 293 HH TYR 38 HH TYR 38 -3.394 7.487 -0.879 294 H VAL 39 HN VAL 39 0.255 3.748 2.604 295 HA VAL 39 HA VAL 39 1.333 6.265 1.706 296 HB VAL 39 HB VAL 39 0.362 7.196 3.756 297 HG11 VAL 39 1HG1 VAL 39 -1.767 7.161 2.967 298 HG12 VAL 39 2HG1 VAL 39 -0.973 6.390 1.593 299 HG13 VAL 39 3HG1 VAL 39 -1.795 5.405 2.804 300 HG21 VAL 39 1HG2 VAL 39 -0.042 4.304 4.422 301 HG22 VAL 39 2HG2 VAL 39 0.651 5.587 5.414 302 HG23 VAL 39 3HG2 VAL 39 -1.086 5.546 5.111 303 H GLU 40 HN GLU 40 1.850 4.178 4.549 304 HA GLU 40 HA GLU 40 3.704 5.447 5.986 305 HB2 GLU 40 2HB GLU 40 2.900 2.876 5.894 306 HB3 GLU 40 3HB GLU 40 4.536 2.694 5.276 307 HG2 GLU 40 2HG GLU 40 4.385 4.372 7.651 308 HG3 GLU 40 3HG GLU 40 3.808 2.728 7.914 309 H LEU 41 HN LEU 41 4.248 4.094 2.798 310 HA LEU 41 HA LEU 41 7.084 4.645 2.850 311 HB2 LEU 41 2HB LEU 41 5.164 3.477 0.902 312 HB3 LEU 41 3HB LEU 41 6.683 4.127 0.289 313 HG LEU 41 HG LEU 41 6.803 1.711 0.634 314 HD11 LEU 41 1HD1 LEU 41 8.591 3.660 1.649 315 HD12 LEU 41 2HD1 LEU 41 8.954 2.045 1.041 316 HD13 LEU 41 3HD1 LEU 41 8.605 2.285 2.753 317 HD21 LEU 41 1HD2 LEU 41 6.405 0.645 2.639 318 HD22 LEU 41 2HD2 LEU 41 5.160 1.895 2.648 319 HD23 LEU 41 3HD2 LEU 41 6.637 2.113 3.589 320 H LEU 42 HN LEU 42 4.202 5.998 1.297 321 HA LEU 42 HA LEU 42 5.676 8.072 -0.035 322 HB2 LEU 42 2HB LEU 42 2.744 7.557 0.374 323 HB3 LEU 42 3HB LEU 42 3.349 8.985 -0.464 324 HG LEU 42 HG LEU 42 4.100 6.232 -1.386 325 HD11 LEU 42 1HD1 LEU 42 1.734 6.097 -1.335 326 HD12 LEU 42 2HD1 LEU 42 2.187 6.448 -3.002 327 HD13 LEU 42 3HD1 LEU 42 1.559 7.733 -1.972 328 HD21 LEU 42 1HD2 LEU 42 4.318 8.998 -2.357 329 HD22 LEU 42 2HD2 LEU 42 3.815 7.816 -3.566 330 HD23 LEU 42 3HD2 LEU 42 5.330 7.592 -2.689 331 H ILE 43 HN ILE 43 3.088 8.246 2.417 332 HA ILE 43 HA ILE 43 3.184 10.824 3.160 333 HB ILE 43 HB ILE 43 2.217 8.499 4.350 334 HG12 ILE 43 2HG1 ILE 43 1.333 10.435 6.021 335 HG13 ILE 43 3HG1 ILE 43 1.926 11.426 4.692 336 HG21 ILE 43 1HG2 ILE 43 4.339 8.553 5.711 337 HG22 ILE 43 2HG2 ILE 43 3.739 10.044 6.434 338 HG23 ILE 43 3HG2 ILE 43 2.837 8.541 6.635 339 HD11 ILE 43 1HD1 ILE 43 0.182 10.917 3.420 340 HD12 ILE 43 2HD1 ILE 43 0.327 9.194 3.770 341 HD13 ILE 43 3HD1 ILE 43 -0.551 10.249 4.877 342 H LYS 44 HN LYS 44 5.674 8.467 3.738 343 HA LYS 44 HA LYS 44 7.116 10.036 5.659 344 HB2 LYS 44 2HB LYS 44 7.295 7.401 4.533 345 HB3 LYS 44 3HB LYS 44 8.864 8.188 4.424 346 HG2 LYS 44 2HG LYS 44 8.595 6.885 6.486 347 HG3 LYS 44 3HG LYS 44 8.871 8.600 6.801 348 HD2 LYS 44 2HD LYS 44 7.112 8.338 8.196 349 HD3 LYS 44 3HD LYS 44 6.181 8.568 6.716 350 HE2 LYS 44 2HE LYS 44 5.355 6.506 6.840 351 HE3 LYS 44 3HE LYS 44 6.968 5.814 7.000 352 HZ1 LYS 44 1HZ LYS 44 6.772 5.652 9.215 353 HZ2 LYS 44 2HZ LYS 44 5.110 5.718 8.911 354 HZ3 LYS 44 3HZ LYS 44 5.940 7.117 9.374 355 H GLU 45 HN GLU 45 7.730 9.153 2.257 356 HA GLU 45 HA GLU 45 9.981 10.775 1.902 357 HB2 GLU 45 2HB GLU 45 8.153 9.263 0.204 358 HB3 GLU 45 3HB GLU 45 8.762 10.711 -0.585 359 HG2 GLU 45 2HG GLU 45 10.420 9.312 -1.183 360 HG3 GLU 45 3HG GLU 45 11.059 9.776 0.392 361 H GLY 46 HN GLY 46 6.794 11.437 0.443 362 HA2 GLY 46 1HA GLY 46 5.623 13.407 0.222 363 HA3 GLY 46 2HA GLY 46 6.650 14.092 1.472 364 H LEU 47 HN LEU 47 6.622 13.228 -1.971 365 HA LEU 47 HA LEU 47 8.489 15.458 -2.446 366 HB2 LEU 47 2HB LEU 47 9.057 14.242 -4.565 367 HB3 LEU 47 3HB LEU 47 9.573 13.458 -3.073 368 HG LEU 47 HG LEU 47 7.057 12.663 -4.515 369 HD11 LEU 47 1HD1 LEU 47 9.480 12.491 -5.705 370 HD12 LEU 47 2HD1 LEU 47 8.157 11.355 -5.971 371 HD13 LEU 47 3HD1 LEU 47 9.435 10.966 -4.820 372 HD21 LEU 47 1HD2 LEU 47 8.222 11.964 -2.047 373 HD22 LEU 47 2HD2 LEU 47 8.436 10.582 -3.122 374 HD23 LEU 47 3HD2 LEU 47 6.823 11.235 -2.835 375 H GLU 48 HN GLU 48 5.449 14.003 -3.259 376 HA GLU 48 HA GLU 48 4.201 16.248 -4.177 377 HB2 GLU 48 2HB GLU 48 4.229 15.688 -6.721 378 HB3 GLU 48 3HB GLU 48 5.549 16.616 -6.024 379 HG2 GLU 48 2HG GLU 48 7.039 15.086 -6.609 380 HG3 GLU 48 3HG GLU 48 6.088 13.789 -5.887 381 H THR 49 HN THR 49 4.607 12.822 -4.336 382 HA THR 49 HA THR 49 2.413 11.862 -5.617 383 HB THR 49 HB THR 49 3.182 10.808 -2.898 384 HG1 THR 49 1HG THR 49 5.117 10.573 -3.721 385 HG21 THR 49 1HG2 THR 49 2.744 8.919 -5.062 386 HG22 THR 49 2HG2 THR 49 1.339 9.947 -4.781 387 HG23 THR 49 3HG2 THR 49 2.008 8.990 -3.461 388 H ALA 50 HN ALA 50 2.453 13.727 -2.705 389 HA ALA 50 HA ALA 50 0.820 14.446 -1.279 390 HB1 ALA 50 1HB ALA 50 0.020 15.785 -2.982 391 HB2 ALA 50 2HB ALA 50 -0.500 14.411 -3.960 392 HB3 ALA 50 3HB ALA 50 -1.419 14.871 -2.526 393 H ILE 51 HN ILE 51 1.093 11.444 -1.859 394 HA ILE 51 HA ILE 51 -0.079 9.483 -1.501 395 HB ILE 51 HB ILE 51 -0.739 11.125 0.946 396 HG12 ILE 51 2HG1 ILE 51 1.180 9.998 1.942 397 HG13 ILE 51 3HG1 ILE 51 1.431 9.070 0.467 398 HG21 ILE 51 1HG2 ILE 51 -0.834 8.130 0.619 399 HG22 ILE 51 2HG2 ILE 51 -1.199 9.046 2.080 400 HG23 ILE 51 3HG2 ILE 51 -2.245 9.187 0.668 401 HD11 ILE 51 1HD1 ILE 51 2.825 11.244 1.029 402 HD12 ILE 51 2HD1 ILE 51 2.389 10.811 -0.625 403 HD13 ILE 51 3HD1 ILE 51 1.449 12.023 0.247 404 H SER 52 HN SER 52 -1.639 9.528 -3.157 405 HA SER 52 HA SER 52 -4.296 10.526 -2.393 406 HB2 SER 52 2HB SER 52 -4.499 11.232 -4.510 407 HB3 SER 52 3HB SER 52 -2.833 10.728 -4.795 408 HG SER 52 HG SER 52 -3.549 9.115 -5.928 409 H CYS 53 HN CYS 53 -6.157 9.212 -2.824 410 HA CYS 53 HA CYS 53 -6.310 6.792 -1.734 411 HB2 CYS 53 2HB CYS 53 -8.229 8.050 -2.719 412 HB3 CYS 53 3HB CYS 53 -7.756 7.454 -4.307 413 HA PRO 54 HA PRO 54 -3.749 4.028 -4.042 414 HB2 PRO 54 2HB PRO 54 -4.659 1.711 -2.962 415 HB3 PRO 54 3HB PRO 54 -3.585 2.817 -2.097 416 HG2 PRO 54 2HG PRO 54 -6.555 2.506 -1.885 417 HG3 PRO 54 3HG PRO 54 -5.357 2.714 -0.594 418 HD2 PRO 54 2HD PRO 54 -6.885 4.756 -1.505 419 HD3 PRO 54 3HD PRO 54 -5.232 4.995 -0.905 420 H ASP 55 HN ASP 55 -7.052 4.405 -4.405 421 HA ASP 55 HA ASP 55 -7.251 2.279 -6.424 422 HB2 ASP 55 2HB ASP 55 -9.065 3.251 -4.463 423 HB3 ASP 55 3HB ASP 55 -9.737 3.638 -6.045 424 H ALA 56 HN ALA 56 -6.948 2.839 -8.466 425 HA ALA 56 HA ALA 56 -6.693 5.517 -9.330 426 HB1 ALA 56 1HB ALA 56 -5.835 3.187 -10.317 427 HB2 ALA 56 2HB ALA 56 -7.243 3.430 -11.352 428 HB3 ALA 56 3HB ALA 56 -5.970 4.650 -11.294 429 H ALA 57 HN ALA 57 -9.289 3.131 -9.668 430 HA ALA 57 HA ALA 57 -10.976 4.506 -11.380 431 HB1 ALA 57 1HB ALA 57 -12.653 3.240 -9.534 432 HB2 ALA 57 2HB ALA 57 -12.074 2.602 -11.072 433 HB3 ALA 57 3HB ALA 57 -11.182 2.268 -9.588 434 H CYS 58 HN CYS 58 -10.611 4.808 -7.878 435 HA CYS 58 HA CYS 58 -12.669 6.241 -7.002 436 HB2 CYS 58 2HB CYS 58 -10.505 5.816 -5.774 437 HB3 CYS 58 3HB CYS 58 -9.849 7.238 -6.578 438 HA PRO 59 HA PRO 59 -12.801 9.431 -10.237 439 HB2 PRO 59 2HB PRO 59 -15.438 9.969 -9.883 440 HB3 PRO 59 3HB PRO 59 -14.856 8.615 -10.859 441 HG2 PRO 59 2HG PRO 59 -15.860 8.623 -8.039 442 HG3 PRO 59 3HG PRO 59 -16.202 7.474 -9.344 443 HD2 PRO 59 2HD PRO 59 -14.404 6.961 -7.386 444 HD3 PRO 59 3HD PRO 59 -14.217 6.343 -9.041 445 H LYS 60 HN LYS 60 -12.801 9.506 -6.946 446 HA LYS 60 HA LYS 60 -13.365 12.394 -6.828 447 HB2 LYS 60 2HB LYS 60 -13.297 10.386 -4.568 448 HB3 LYS 60 3HB LYS 60 -13.688 12.094 -4.417 449 HG2 LYS 60 2HG LYS 60 -15.429 11.134 -6.364 450 HG3 LYS 60 3HG LYS 60 -15.383 9.877 -5.126 451 HD2 LYS 60 2HD LYS 60 -15.603 11.988 -3.526 452 HD3 LYS 60 3HD LYS 60 -16.361 12.677 -4.965 453 HE2 LYS 60 2HE LYS 60 -17.762 10.530 -5.013 454 HE3 LYS 60 3HE LYS 60 -17.197 10.278 -3.363 455 HZ1 LYS 60 1HZ LYS 60 -18.046 12.645 -2.976 456 HZ2 LYS 60 2HZ LYS 60 -19.189 11.405 -3.102 457 HZ3 LYS 60 3HZ LYS 60 -18.912 12.437 -4.414 458 H GLN 61 HN GLN 61 -10.907 10.075 -6.746 459 HA GLN 61 HA GLN 61 -8.743 10.076 -5.935 460 HB2 GLN 61 2HB GLN 61 -9.150 12.599 -7.499 461 HB3 GLN 61 3HB GLN 61 -7.583 12.258 -6.779 462 HG2 GLN 61 2HG GLN 61 -7.981 9.925 -7.993 463 HG3 GLN 61 3HG GLN 61 -8.961 10.948 -9.043 464 HE21 GLN 61 1HE2 GLN 61 -7.354 13.298 -8.703 465 HE22 GLN 61 2HE2 GLN 61 -5.887 13.039 -9.576 466 H GLY 62 HN GLY 62 -9.443 10.154 -3.661 467 HA2 GLY 62 1HA GLY 62 -9.338 12.731 -2.333 468 HA3 GLY 62 2HA GLY 62 -9.623 11.172 -1.572 469 H HIS 63 HN HIS 63 -7.695 13.566 -1.187 470 HA HIS 63 HA HIS 63 -5.147 12.131 -1.271 471 HB2 HIS 63 2HB HIS 63 -5.786 15.020 -0.647 472 HB3 HIS 63 3HB HIS 63 -4.164 14.335 -0.649 473 HD1 HIS 63 1HD HIS 63 -6.662 15.855 -2.831 474 HD2 HIS 63 2HD HIS 63 -3.322 13.426 -3.288 475 HE1 HIS 63 1HE HIS 63 -6.050 16.004 -5.265 476 H LEU 64 HN LEU 64 -3.824 11.901 0.574 477 HA LEU 64 HA LEU 64 -5.349 11.776 3.076 478 HB2 LEU 64 2HB LEU 64 -2.823 10.415 2.172 479 HB3 LEU 64 3HB LEU 64 -3.419 10.336 3.827 480 HG LEU 64 HG LEU 64 -3.909 8.388 2.188 481 HD11 LEU 64 1HD1 LEU 64 -5.085 7.870 3.997 482 HD12 LEU 64 2HD1 LEU 64 -6.457 8.697 3.260 483 HD13 LEU 64 3HD1 LEU 64 -5.391 9.568 4.362 484 HD21 LEU 64 1HD2 LEU 64 -6.032 8.660 0.976 485 HD22 LEU 64 2HD2 LEU 64 -4.766 9.719 0.353 486 HD23 LEU 64 3HD2 LEU 64 -6.034 10.374 1.390 487 H GLN 65 HN GLN 65 -4.133 12.249 5.096 488 HA GLN 65 HA GLN 65 -2.733 14.778 4.794 489 HB2 GLN 65 2HB GLN 65 -3.025 13.786 7.519 490 HB3 GLN 65 3HB GLN 65 -3.574 15.297 6.809 491 HG2 GLN 65 2HG GLN 65 -5.555 14.323 7.423 492 HG3 GLN 65 3HG GLN 65 -5.420 13.822 5.738 493 HE21 GLN 65 1HE2 GLN 65 -3.203 11.958 6.609 494 HE22 GLN 65 2HE2 GLN 65 -4.035 10.588 7.255 495 H GLU 66 HN GLU 66 -0.731 15.234 5.869 496 HA GLU 66 HA GLU 66 1.084 12.959 5.786 497 HB2 GLU 66 2HB GLU 66 1.420 15.933 5.746 498 HB3 GLU 66 3HB GLU 66 2.777 14.918 6.213 499 HG2 GLU 66 2HG GLU 66 3.232 14.461 4.100 500 HG3 GLU 66 3HG GLU 66 1.588 13.889 3.825 501 H ASN 67 HN ASN 67 -0.543 14.911 8.075 502 HA ASN 67 HA ASN 67 1.314 14.269 10.229 503 HB2 ASN 67 2HB ASN 67 -1.101 15.526 11.153 504 HB3 ASN 67 3HB ASN 67 0.545 16.154 11.158 505 HD21 ASN 67 1HD2 ASN 67 -2.539 16.349 9.774 506 HD22 ASN 67 2HD2 ASN 67 -2.183 17.518 8.554 507 H GLU 68 HN GLU 68 -2.135 13.793 9.475 508 HA GLU 68 HA GLU 68 -2.765 12.168 11.650 509 HB2 GLU 68 2HB GLU 68 -3.990 12.904 9.126 510 HB3 GLU 68 3HB GLU 68 -4.330 11.228 9.535 511 HG2 GLU 68 2HG GLU 68 -4.676 13.253 11.668 512 HG3 GLU 68 3HG GLU 68 -5.852 13.235 10.355 513 H ILE 69 HN ILE 69 -2.236 11.036 8.307 514 HA ILE 69 HA ILE 69 -2.137 8.350 8.722 515 HB ILE 69 HB ILE 69 -0.428 9.991 6.856 516 HG12 ILE 69 2HG1 ILE 69 -3.164 8.949 6.824 517 HG13 ILE 69 3HG1 ILE 69 -2.438 10.231 5.862 518 HG21 ILE 69 1HG2 ILE 69 0.683 7.874 7.237 519 HG22 ILE 69 2HG2 ILE 69 -0.818 7.003 6.924 520 HG23 ILE 69 3HG2 ILE 69 -0.029 7.897 5.625 521 HD11 ILE 69 1HD1 ILE 69 -3.223 8.444 4.443 522 HD12 ILE 69 2HD1 ILE 69 -1.462 8.540 4.380 523 HD13 ILE 69 3HD1 ILE 69 -2.243 7.277 5.330 524 H GLU 70 HN GLU 70 0.835 10.324 8.570 525 HA GLU 70 HA GLU 70 2.626 8.456 9.469 526 HB2 GLU 70 2HB GLU 70 4.119 10.205 9.877 527 HB3 GLU 70 3HB GLU 70 3.023 10.875 8.676 528 HG2 GLU 70 2HG GLU 70 1.898 12.180 10.287 529 HG3 GLU 70 3HG GLU 70 2.661 11.319 11.622 530 H CYS 71 HN CYS 71 0.113 9.953 11.240 531 HA CYS 71 HA CYS 71 1.262 9.604 13.847 532 HB2 CYS 71 2HB CYS 71 -0.649 11.221 13.040 533 HB3 CYS 71 3HB CYS 71 -1.688 9.847 13.397 534 HG CYS 71 HG CYS 71 -1.942 11.349 15.624 535 H MET 72 HN MET 72 -0.863 7.764 11.741 536 HA MET 72 HA MET 72 -1.430 5.780 13.764 537 HB2 MET 72 2HB MET 72 -2.930 4.864 12.268 538 HB3 MET 72 3HB MET 72 -2.914 6.543 11.743 539 HG2 MET 72 2HG MET 72 -0.938 5.557 10.212 540 HG3 MET 72 3HG MET 72 -1.942 4.120 10.387 541 HE1 MET 72 1HE MET 72 -1.620 4.719 7.618 542 HE2 MET 72 2HE MET 72 -3.015 3.727 8.047 543 HE3 MET 72 3HE MET 72 -3.198 5.065 6.911 544 H VAL 73 HN VAL 73 1.270 6.448 12.115 545 HA VAL 73 HA VAL 73 2.113 3.632 12.099 546 HB VAL 73 HB VAL 73 3.638 4.288 10.141 547 HG11 VAL 73 1HG1 VAL 73 1.565 4.074 8.533 548 HG12 VAL 73 2HG1 VAL 73 2.063 2.728 9.561 549 HG13 VAL 73 3HG1 VAL 73 0.711 3.753 10.042 550 HG21 VAL 73 1HG2 VAL 73 3.525 6.542 9.821 551 HG22 VAL 73 2HG2 VAL 73 2.254 6.042 8.706 552 HG23 VAL 73 3HG2 VAL 73 1.834 6.640 10.311 553 H ALA 74 HN ALA 74 3.435 6.926 11.708 554 HA ALA 74 HA ALA 74 5.826 6.155 13.171 555 HB1 ALA 74 1HB ALA 74 6.077 8.836 12.674 556 HB2 ALA 74 2HB ALA 74 6.653 7.541 11.624 557 HB3 ALA 74 3HB ALA 74 5.084 8.289 11.322 558 H ALA 75 HN ALA 75 3.063 6.493 14.400 559 HA ALA 75 HA ALA 75 2.592 8.619 15.943 560 HB1 ALA 75 1HB ALA 75 2.580 6.316 17.682 561 HB2 ALA 75 2HB ALA 75 1.228 7.240 17.026 562 HB3 ALA 75 3HB ALA 75 1.928 5.920 16.091 Start of MODEL 14 1 H1 ALA 1 HN ALA 1 -19.833 -21.029 7.218 2 HA ALA 1 HA ALA 1 -17.386 -21.643 8.621 3 HB1 ALA 1 1HB ALA 1 -17.852 -22.981 5.964 4 HB2 ALA 1 2HB ALA 1 -16.464 -23.164 7.037 5 HB3 ALA 1 3HB ALA 1 -18.039 -23.795 7.519 6 H LEU 2 HN LEU 2 -18.866 -20.687 5.543 7 HA LEU 2 HA LEU 2 -16.583 -18.960 4.961 8 HB2 LEU 2 2HB LEU 2 -18.264 -20.498 3.375 9 HB3 LEU 2 3HB LEU 2 -18.773 -18.840 3.069 10 HG LEU 2 HG LEU 2 -16.039 -18.678 2.854 11 HD11 LEU 2 1HD1 LEU 2 -16.659 -21.055 1.197 12 HD12 LEU 2 2HD1 LEU 2 -16.323 -21.320 2.907 13 HD13 LEU 2 3HD1 LEU 2 -15.127 -20.519 1.888 14 HD21 LEU 2 1HD2 LEU 2 -16.438 -18.298 0.550 15 HD22 LEU 2 2HD2 LEU 2 -17.877 -17.738 1.405 16 HD23 LEU 2 3HD2 LEU 2 -17.897 -19.291 0.567 17 H ASP 3 HN ASP 3 -16.629 -16.800 5.139 18 HA ASP 3 HA ASP 3 -19.215 -15.466 5.521 19 HB2 ASP 3 2HB ASP 3 -16.905 -14.552 7.173 20 HB3 ASP 3 3HB ASP 3 -18.632 -14.452 7.506 21 HA PRO 4 HA PRO 4 -16.444 -13.329 2.438 22 HB2 PRO 4 2HB PRO 4 -18.323 -13.173 0.484 23 HB3 PRO 4 3HB PRO 4 -17.260 -14.571 0.685 24 HG2 PRO 4 2HG PRO 4 -20.095 -14.205 1.571 25 HG3 PRO 4 3HG PRO 4 -19.333 -15.616 0.816 26 HD2 PRO 4 2HD PRO 4 -19.788 -15.459 3.481 27 HD3 PRO 4 3HD PRO 4 -18.401 -16.333 2.799 28 H LEU 5 HN LEU 5 -16.311 -11.297 3.199 29 HA LEU 5 HA LEU 5 -18.767 -9.670 3.248 30 HB2 LEU 5 2HB LEU 5 -16.492 -9.910 5.086 31 HB3 LEU 5 3HB LEU 5 -16.972 -8.254 4.725 32 HG LEU 5 HG LEU 5 -18.057 -8.951 6.744 33 HD11 LEU 5 1HD1 LEU 5 -19.945 -7.926 6.180 34 HD12 LEU 5 2HD1 LEU 5 -20.437 -9.255 5.131 35 HD13 LEU 5 3HD1 LEU 5 -19.385 -7.985 4.508 36 HD21 LEU 5 1HD2 LEU 5 -19.037 -11.303 5.133 37 HD22 LEU 5 2HD2 LEU 5 -19.639 -10.868 6.732 38 HD23 LEU 5 3HD2 LEU 5 -17.952 -11.338 6.522 39 H VAL 6 HN VAL 6 -15.356 -9.745 2.366 40 HA VAL 6 HA VAL 6 -14.111 -8.491 0.928 41 HB VAL 6 HB VAL 6 -15.013 -8.400 -1.107 42 HG11 VAL 6 1HG1 VAL 6 -17.005 -9.580 -1.464 43 HG12 VAL 6 2HG1 VAL 6 -16.391 -10.204 0.068 44 HG13 VAL 6 3HG1 VAL 6 -17.707 -9.030 0.057 45 HG21 VAL 6 1HG2 VAL 6 -17.077 -6.565 0.093 46 HG22 VAL 6 2HG2 VAL 6 -15.678 -6.126 -0.887 47 HG23 VAL 6 3HG2 VAL 6 -17.032 -6.987 -1.619 48 H SER 7 HN SER 7 -13.701 -6.242 0.118 49 HA SER 7 HA SER 7 -15.028 -3.963 0.867 50 HB2 SER 7 2HB SER 7 -13.605 -3.319 2.924 51 HB3 SER 7 3HB SER 7 -14.949 -4.433 3.170 52 HG SER 7 HG SER 7 -12.851 -5.896 2.551 53 H CYS 8 HN CYS 8 -11.717 -4.419 1.960 54 HA CYS 8 HA CYS 8 -10.628 -2.315 0.547 55 HB2 CYS 8 2HB CYS 8 -9.508 -3.531 2.405 56 HB3 CYS 8 3HB CYS 8 -9.198 -4.871 1.304 57 H LYS 9 HN LYS 9 -9.176 -2.276 -1.286 58 HA LYS 9 HA LYS 9 -9.863 -4.309 -3.308 59 HB2 LYS 9 2HB LYS 9 -10.602 -2.648 -4.600 60 HB3 LYS 9 3HB LYS 9 -10.175 -1.472 -3.363 61 HG2 LYS 9 2HG LYS 9 -7.886 -1.390 -4.275 62 HG3 LYS 9 3HG LYS 9 -8.383 -2.498 -5.555 63 HD2 LYS 9 2HD LYS 9 -9.151 0.356 -5.108 64 HD3 LYS 9 3HD LYS 9 -8.609 -0.442 -6.587 65 HE2 LYS 9 2HE LYS 9 -10.773 -1.721 -6.563 66 HE3 LYS 9 3HE LYS 9 -11.298 -0.672 -5.247 67 HZ1 LYS 9 1HZ LYS 9 -11.978 -0.026 -7.587 68 HZ2 LYS 9 2HZ LYS 9 -10.365 0.422 -7.831 69 HZ3 LYS 9 3HZ LYS 9 -11.283 1.189 -6.636 70 H LEU 10 HN LEU 10 -7.354 -2.298 -1.913 71 HA LEU 10 HA LEU 10 -5.263 -2.772 -3.672 72 HB2 LEU 10 2HB LEU 10 -5.201 -2.474 -0.674 73 HB3 LEU 10 3HB LEU 10 -3.777 -2.415 -1.711 74 HG LEU 10 HG LEU 10 -6.079 -0.481 -1.929 75 HD11 LEU 10 1HD1 LEU 10 -3.482 -0.210 -0.424 76 HD12 LEU 10 2HD1 LEU 10 -5.107 -0.230 0.262 77 HD13 LEU 10 3HD1 LEU 10 -4.598 1.112 -0.763 78 HD21 LEU 10 1HD2 LEU 10 -3.777 0.702 -2.856 79 HD22 LEU 10 2HD2 LEU 10 -5.043 -0.014 -3.852 80 HD23 LEU 10 3HD2 LEU 10 -3.622 -0.964 -3.416 81 H CYS 11 HN CYS 11 -6.765 -4.902 -1.398 82 HA CYS 11 HA CYS 11 -4.905 -7.025 -2.208 83 HB2 CYS 11 2HB CYS 11 -4.741 -7.890 0.015 84 HB3 CYS 11 3HB CYS 11 -4.363 -6.173 0.101 85 H LEU 12 HN LEU 12 -7.969 -5.941 -2.240 86 HA LEU 12 HA LEU 12 -10.070 -6.907 -2.186 87 HB2 LEU 12 2HB LEU 12 -8.317 -8.290 -4.125 88 HB3 LEU 12 3HB LEU 12 -9.876 -9.042 -3.796 89 HG LEU 12 HG LEU 12 -10.063 -6.183 -4.371 90 HD11 LEU 12 1HD1 LEU 12 -8.472 -7.905 -6.115 91 HD12 LEU 12 2HD1 LEU 12 -8.599 -6.147 -6.060 92 HD13 LEU 12 3HD1 LEU 12 -9.807 -7.090 -6.931 93 HD21 LEU 12 1HD2 LEU 12 -11.360 -8.653 -5.519 94 HD22 LEU 12 2HD2 LEU 12 -11.842 -6.991 -5.862 95 HD23 LEU 12 3HD2 LEU 12 -12.000 -7.636 -4.228 96 H GLY 13 HN GLY 13 -9.345 -7.541 0.184 97 HA2 GLY 13 1HA GLY 13 -9.452 -10.477 0.444 98 HA3 GLY 13 2HA GLY 13 -8.839 -9.378 1.672 99 H GLU 14 HN GLU 14 -10.258 -10.489 3.153 100 HA GLU 14 HA GLU 14 -13.020 -9.485 2.974 101 HB2 GLU 14 2HB GLU 14 -13.108 -11.851 2.529 102 HB3 GLU 14 3HB GLU 14 -12.090 -12.198 3.920 103 HG2 GLU 14 2HG GLU 14 -14.519 -10.722 4.581 104 HG3 GLU 14 3HG GLU 14 -14.814 -12.311 3.877 105 H TYR 15 HN TYR 15 -13.199 -7.954 4.472 106 HA TYR 15 HA TYR 15 -12.608 -8.588 7.233 107 HB2 TYR 15 2HB TYR 15 -11.447 -6.012 6.253 108 HB3 TYR 15 3HB TYR 15 -11.004 -6.974 7.658 109 HD1 TYR 15 1HD TYR 15 -10.522 -6.489 4.070 110 HD2 TYR 15 2HD TYR 15 -9.516 -8.899 7.430 111 HE1 TYR 15 1HE TYR 15 -8.661 -7.475 2.799 112 HE2 TYR 15 2HE TYR 15 -7.652 -9.891 6.167 113 HH TYR 15 HH TYR 15 -6.222 -8.746 3.793 114 HA PRO 16 HA PRO 16 -16.163 -6.110 7.939 115 HB2 PRO 16 2HB PRO 16 -15.691 -5.252 10.471 116 HB3 PRO 16 3HB PRO 16 -16.143 -6.917 10.090 117 HG2 PRO 16 2HG PRO 16 -13.433 -5.768 10.635 118 HG3 PRO 16 3HG PRO 16 -14.140 -7.288 11.212 119 HD2 PRO 16 2HD PRO 16 -12.397 -7.187 9.143 120 HD3 PRO 16 3HD PRO 16 -13.697 -8.391 9.238 121 H VAL 17 HN VAL 17 -16.519 -3.857 9.370 122 HA VAL 17 HA VAL 17 -14.971 -1.883 7.848 123 HB VAL 17 HB VAL 17 -16.761 -0.431 7.955 124 HG11 VAL 17 1HG1 VAL 17 -17.265 -2.864 6.990 125 HG12 VAL 17 2HG1 VAL 17 -18.508 -2.804 8.242 126 HG13 VAL 17 3HG1 VAL 17 -18.464 -1.572 6.980 127 HG21 VAL 17 1HG2 VAL 17 -17.016 -0.305 10.335 128 HG22 VAL 17 2HG2 VAL 17 -18.599 -0.627 9.626 129 HG23 VAL 17 3HG2 VAL 17 -17.697 -1.931 10.396 130 H GLU 18 HN GLU 18 -14.769 -3.307 10.750 131 HA GLU 18 HA GLU 18 -14.134 -0.867 12.245 132 HB2 GLU 18 2HB GLU 18 -14.266 -3.717 13.243 133 HB3 GLU 18 3HB GLU 18 -14.109 -2.269 14.228 134 HG2 GLU 18 2HG GLU 18 -16.310 -1.575 13.729 135 HG3 GLU 18 3HG GLU 18 -16.471 -2.770 12.442 136 H GLN 19 HN GLN 19 -12.652 -3.318 10.452 137 HA GLN 19 HA GLN 19 -10.067 -2.877 11.783 138 HB2 GLN 19 2HB GLN 19 -11.255 -5.177 10.332 139 HB3 GLN 19 3HB GLN 19 -9.530 -4.912 10.118 140 HG2 GLN 19 2HG GLN 19 -9.072 -5.257 12.375 141 HG3 GLN 19 3HG GLN 19 -10.754 -5.014 12.846 142 HE21 GLN 19 1HE2 GLN 19 -10.400 -7.035 14.010 143 HE22 GLN 19 2HE2 GLN 19 -10.614 -8.529 13.171 144 H MET 20 HN MET 20 -11.581 -1.256 9.663 145 HA MET 20 HA MET 20 -9.392 -1.159 7.692 146 HB2 MET 20 2HB MET 20 -12.081 -0.015 7.079 147 HB3 MET 20 3HB MET 20 -10.877 -0.688 5.987 148 HG2 MET 20 2HG MET 20 -11.459 -2.918 7.249 149 HG3 MET 20 3HG MET 20 -12.959 -2.062 7.601 150 HE1 MET 20 1HE MET 20 -10.511 -2.215 4.526 151 HE2 MET 20 2HE MET 20 -10.822 -3.906 4.924 152 HE3 MET 20 3HE MET 20 -11.434 -3.228 3.414 153 H THR 21 HN THR 21 -9.436 1.127 6.568 154 HA THR 21 HA THR 21 -9.756 3.203 8.627 155 HB THR 21 HB THR 21 -7.334 2.763 6.876 156 HG1 THR 21 1HG THR 21 -6.419 3.002 9.145 157 HG21 THR 21 1HG2 THR 21 -8.392 5.214 8.119 158 HG22 THR 21 2HG2 THR 21 -7.262 5.018 6.780 159 HG23 THR 21 3HG2 THR 21 -6.691 4.882 8.442 160 H THR 22 HN THR 22 -10.396 5.202 7.910 161 HA THR 22 HA THR 22 -11.536 5.285 5.249 162 HB THR 22 HB THR 22 -11.596 7.366 7.445 163 HG1 THR 22 1HG THR 22 -13.752 5.716 6.648 164 HG21 THR 22 1HG2 THR 22 -11.963 8.307 5.200 165 HG22 THR 22 2HG2 THR 22 -13.428 8.363 6.181 166 HG23 THR 22 3HG2 THR 22 -13.252 7.135 4.929 167 H ILE 23 HN ILE 23 -11.157 6.994 3.741 168 HA ILE 23 HA ILE 23 -8.393 7.618 3.429 169 HB ILE 23 HB ILE 23 -10.835 8.500 1.895 170 HG12 ILE 23 2HG1 ILE 23 -10.314 6.158 1.608 171 HG13 ILE 23 3HG1 ILE 23 -9.844 7.017 0.145 172 HG21 ILE 23 1HG2 ILE 23 -9.641 10.102 0.930 173 HG22 ILE 23 2HG2 ILE 23 -8.246 9.688 1.926 174 HG23 ILE 23 3HG2 ILE 23 -8.488 8.892 0.371 175 HD11 ILE 23 1HD1 ILE 23 -8.023 5.688 0.441 176 HD12 ILE 23 2HD1 ILE 23 -7.512 7.106 1.359 177 HD13 ILE 23 3HD1 ILE 23 -8.161 5.698 2.199 178 H ALA 24 HN ALA 24 -10.871 10.070 2.962 179 HA ALA 24 HA ALA 24 -10.686 11.675 5.124 180 HB1 ALA 24 1HB ALA 24 -8.782 13.267 3.957 181 HB2 ALA 24 2HB ALA 24 -8.524 12.199 5.336 182 HB3 ALA 24 3HB ALA 24 -8.138 11.645 3.707 183 H GLN 25 HN GLN 25 -10.289 11.752 1.612 184 HA GLN 25 HA GLN 25 -12.032 14.112 1.489 185 HB2 GLN 25 2HB GLN 25 -9.764 13.190 -0.070 186 HB3 GLN 25 3HB GLN 25 -11.147 13.548 -1.094 187 HG2 GLN 25 2HG GLN 25 -9.579 15.449 -0.755 188 HG3 GLN 25 3HG GLN 25 -11.251 15.787 -0.312 189 HE21 GLN 25 1HE2 GLN 25 -11.417 16.941 1.458 190 HE22 GLN 25 2HE2 GLN 25 -10.369 16.872 2.829 191 H CYS 26 HN CYS 26 -11.579 10.916 -0.001 192 HA CYS 26 HA CYS 26 -14.247 11.033 -1.158 193 HB2 CYS 26 2HB CYS 26 -13.583 8.725 -2.028 194 HB3 CYS 26 3HB CYS 26 -12.657 10.095 -2.632 195 H GLN 27 HN GLN 27 -12.472 9.280 1.331 196 HA GLN 27 HA GLN 27 -13.288 8.292 3.243 197 HB2 GLN 27 2HB GLN 27 -16.085 8.353 2.162 198 HB3 GLN 27 3HB GLN 27 -15.545 8.389 3.835 199 HG2 GLN 27 2HG GLN 27 -14.532 10.677 2.449 200 HG3 GLN 27 3HG GLN 27 -16.274 10.551 2.206 201 HE21 GLN 27 1HE2 GLN 27 -14.013 11.898 4.099 202 HE22 GLN 27 2HE2 GLN 27 -14.900 12.062 5.573 203 H CYS 28 HN CYS 28 -12.203 6.832 1.243 204 HA CYS 28 HA CYS 28 -13.954 4.634 0.549 205 HB2 CYS 28 2HB CYS 28 -11.062 5.261 -0.013 206 HB3 CYS 28 3HB CYS 28 -11.764 3.697 -0.419 207 H ILE 29 HN ILE 29 -13.050 2.356 0.891 208 HA ILE 29 HA ILE 29 -12.141 2.131 3.685 209 HB ILE 29 HB ILE 29 -14.467 1.148 2.640 210 HG12 ILE 29 2HG1 ILE 29 -14.420 -0.379 4.681 211 HG13 ILE 29 3HG1 ILE 29 -12.780 0.197 4.955 212 HG21 ILE 29 1HG2 ILE 29 -12.486 -1.126 2.666 213 HG22 ILE 29 2HG2 ILE 29 -14.230 -1.274 2.461 214 HG23 ILE 29 3HG2 ILE 29 -13.265 -0.451 1.236 215 HD11 ILE 29 1HD1 ILE 29 -15.134 2.045 4.734 216 HD12 ILE 29 2HD1 ILE 29 -14.597 1.343 6.260 217 HD13 ILE 29 3HD1 ILE 29 -13.520 2.399 5.348 218 H PHE 30 HN PHE 30 -10.233 1.211 4.031 219 HA PHE 30 HA PHE 30 -9.246 -0.888 2.298 220 HB2 PHE 30 2HB PHE 30 -7.712 1.700 2.627 221 HB3 PHE 30 3HB PHE 30 -7.103 0.246 1.842 222 HD1 PHE 30 1HD PHE 30 -8.818 -0.675 -0.036 223 HD2 PHE 30 2HD PHE 30 -8.429 3.367 1.241 224 HE1 PHE 30 1HE PHE 30 -9.756 0.089 -2.178 225 HE2 PHE 30 2HE PHE 30 -9.368 4.137 -0.900 226 HZ PHE 30 HZ PHE 30 -10.033 2.496 -2.612 227 H CYS 31 HN CYS 31 -8.148 -2.356 3.440 228 HA CYS 31 HA CYS 31 -7.966 -2.259 6.215 229 HB2 CYS 31 2HB CYS 31 -6.779 -4.310 6.090 230 HB3 CYS 31 3HB CYS 31 -7.878 -4.309 4.715 231 H THR 32 HN THR 32 -6.650 -1.214 7.541 232 HA THR 32 HA THR 32 -4.806 0.646 6.993 233 HB THR 32 HB THR 32 -4.105 -1.242 9.209 234 HG1 THR 32 1HG THR 32 -6.336 0.535 9.232 235 HG21 THR 32 1HG2 THR 32 -2.894 0.519 9.839 236 HG22 THR 32 2HG2 THR 32 -4.378 1.453 10.026 237 HG23 THR 32 3HG2 THR 32 -3.519 1.459 8.485 238 H LEU 33 HN LEU 33 -4.041 -2.812 7.331 239 HA LEU 33 HA LEU 33 -1.340 -2.828 7.042 240 HB2 LEU 33 2HB LEU 33 -3.488 -4.661 6.112 241 HB3 LEU 33 3HB LEU 33 -1.847 -4.945 5.536 242 HG LEU 33 HG LEU 33 -2.207 -4.626 8.460 243 HD11 LEU 33 1HD1 LEU 33 -3.135 -7.054 6.938 244 HD12 LEU 33 2HD1 LEU 33 -4.109 -6.012 7.975 245 HD13 LEU 33 3HD1 LEU 33 -2.835 -7.012 8.675 246 HD21 LEU 33 1HD2 LEU 33 -0.646 -6.643 6.860 247 HD22 LEU 33 2HD2 LEU 33 -0.432 -6.204 8.554 248 HD23 LEU 33 3HD2 LEU 33 -0.027 -5.048 7.285 249 H CYS 34 HN CYS 34 -3.714 -2.574 4.417 250 HA CYS 34 HA CYS 34 -1.727 -2.420 2.363 251 HB2 CYS 34 2HB CYS 34 -4.699 -1.989 2.459 252 HB3 CYS 34 3HB CYS 34 -3.779 -1.565 1.018 253 H LEU 35 HN LEU 35 -4.106 -0.005 3.482 254 HA LEU 35 HA LEU 35 -2.958 2.186 2.200 255 HB2 LEU 35 2HB LEU 35 -5.194 1.797 3.645 256 HB3 LEU 35 3HB LEU 35 -4.223 2.679 4.822 257 HG LEU 35 HG LEU 35 -4.060 4.572 3.350 258 HD11 LEU 35 1HD1 LEU 35 -5.716 4.214 1.229 259 HD12 LEU 35 2HD1 LEU 35 -4.959 2.626 1.350 260 HD13 LEU 35 3HD1 LEU 35 -3.959 4.067 1.169 261 HD21 LEU 35 1HD2 LEU 35 -6.047 4.463 4.731 262 HD22 LEU 35 2HD2 LEU 35 -6.883 3.519 3.497 263 HD23 LEU 35 3HD2 LEU 35 -6.434 5.194 3.174 264 H LYS 36 HN LYS 36 -1.760 0.390 4.781 265 HA LYS 36 HA LYS 36 -0.222 2.585 5.926 266 HB2 LYS 36 2HB LYS 36 -1.141 1.025 7.510 267 HB3 LYS 36 3HB LYS 36 -0.443 -0.339 6.647 268 HG2 LYS 36 2HG LYS 36 1.733 1.269 7.238 269 HG3 LYS 36 3HG LYS 36 0.719 1.357 8.680 270 HD2 LYS 36 2HD LYS 36 0.589 -1.168 8.583 271 HD3 LYS 36 3HD LYS 36 1.859 -1.098 7.358 272 HE2 LYS 36 2HE LYS 36 2.696 0.530 9.504 273 HE3 LYS 36 3HE LYS 36 2.084 -0.965 10.209 274 HZ1 LYS 36 1HZ LYS 36 4.100 -0.826 8.033 275 HZ2 LYS 36 2HZ LYS 36 3.566 -2.226 8.820 276 HZ3 LYS 36 3HZ LYS 36 4.462 -1.067 9.667 277 H GLN 37 HN GLN 37 0.555 -0.679 4.704 278 HA GLN 37 HA GLN 37 3.296 -0.288 4.441 279 HB2 GLN 37 2HB GLN 37 1.374 -2.282 3.686 280 HB3 GLN 37 3HB GLN 37 2.498 -2.024 2.358 281 HG2 GLN 37 2HG GLN 37 4.235 -2.919 3.471 282 HG3 GLN 37 3HG GLN 37 3.709 -2.280 5.027 283 HE21 GLN 37 1HE2 GLN 37 4.087 -4.241 6.055 284 HE22 GLN 37 2HE2 GLN 37 3.051 -5.607 5.842 285 H TYR 38 HN TYR 38 0.795 1.138 2.694 286 HA TYR 38 HA TYR 38 2.434 1.593 0.316 287 HB2 TYR 38 2HB TYR 38 0.389 1.284 -0.588 288 HB3 TYR 38 3HB TYR 38 -0.440 1.647 0.922 289 HD1 TYR 38 1HD TYR 38 1.642 3.533 -1.556 290 HD2 TYR 38 2HD TYR 38 -1.894 3.423 0.808 291 HE1 TYR 38 1HE TYR 38 0.982 5.724 -2.454 292 HE2 TYR 38 2HE TYR 38 -2.565 5.614 -0.085 293 HH TYR 38 HH TYR 38 -1.074 7.040 -2.775 294 H VAL 39 HN VAL 39 0.577 3.489 2.694 295 HA VAL 39 HA VAL 39 1.715 5.977 1.853 296 HB VAL 39 HB VAL 39 0.463 7.005 3.561 297 HG11 VAL 39 1HG1 VAL 39 -1.752 5.575 3.500 298 HG12 VAL 39 2HG1 VAL 39 -1.146 6.387 2.056 299 HG13 VAL 39 3HG1 VAL 39 -0.857 4.663 2.286 300 HG21 VAL 39 1HG2 VAL 39 -0.555 5.728 5.431 301 HG22 VAL 39 2HG2 VAL 39 0.334 4.302 4.894 302 HG23 VAL 39 3HG2 VAL 39 1.209 5.726 5.459 303 H GLU 40 HN GLU 40 2.157 3.884 4.695 304 HA GLU 40 HA GLU 40 3.889 5.289 6.220 305 HB2 GLU 40 2HB GLU 40 3.051 2.836 6.438 306 HB3 GLU 40 3HB GLU 40 4.540 2.427 5.597 307 HG2 GLU 40 2HG GLU 40 5.121 4.230 7.736 308 HG3 GLU 40 3HG GLU 40 4.167 2.877 8.341 309 H LEU 41 HN LEU 41 4.659 3.645 3.202 310 HA LEU 41 HA LEU 41 7.470 4.170 3.365 311 HB2 LEU 41 2HB LEU 41 5.622 2.884 1.490 312 HB3 LEU 41 3HB LEU 41 6.988 3.692 0.723 313 HG LEU 41 HG LEU 41 8.505 2.191 1.528 314 HD11 LEU 41 1HD1 LEU 41 8.465 2.316 3.800 315 HD12 LEU 41 2HD1 LEU 41 7.772 0.708 3.590 316 HD13 LEU 41 3HD1 LEU 41 6.719 2.089 3.897 317 HD21 LEU 41 1HD2 LEU 41 7.372 0.711 0.217 318 HD22 LEU 41 2HD2 LEU 41 5.877 0.863 1.140 319 HD23 LEU 41 3HD2 LEU 41 7.210 -0.106 1.772 320 H LEU 42 HN LEU 42 4.685 5.782 2.008 321 HA LEU 42 HA LEU 42 6.311 7.710 0.570 322 HB2 LEU 42 2HB LEU 42 3.396 7.151 0.831 323 HB3 LEU 42 3HB LEU 42 3.908 8.754 0.307 324 HG LEU 42 HG LEU 42 4.868 6.283 -1.099 325 HD11 LEU 42 1HD1 LEU 42 2.296 7.775 -1.590 326 HD12 LEU 42 2HD1 LEU 42 2.467 6.090 -1.100 327 HD13 LEU 42 3HD1 LEU 42 3.012 6.603 -2.696 328 HD21 LEU 42 1HD2 LEU 42 5.929 7.778 -2.344 329 HD22 LEU 42 2HD2 LEU 42 5.260 9.089 -1.372 330 HD23 LEU 42 3HD2 LEU 42 4.384 8.504 -2.787 331 H ILE 43 HN ILE 43 3.705 8.026 2.990 332 HA ILE 43 HA ILE 43 3.924 10.595 3.734 333 HB ILE 43 HB ILE 43 3.066 8.189 5.069 334 HG12 ILE 43 2HG1 ILE 43 1.444 9.814 6.088 335 HG13 ILE 43 3HG1 ILE 43 2.336 11.114 5.306 336 HG21 ILE 43 1HG2 ILE 43 3.302 8.954 7.385 337 HG22 ILE 43 2HG2 ILE 43 4.867 8.648 6.635 338 HG23 ILE 43 3HG2 ILE 43 4.293 10.303 6.834 339 HD11 ILE 43 1HD1 ILE 43 1.649 10.478 3.189 340 HD12 ILE 43 2HD1 ILE 43 1.228 8.846 3.708 341 HD13 ILE 43 3HD1 ILE 43 0.216 10.210 4.180 342 H LYS 44 HN LYS 44 6.212 8.056 4.531 343 HA LYS 44 HA LYS 44 7.737 9.599 6.382 344 HB2 LYS 44 2HB LYS 44 7.801 6.932 5.273 345 HB3 LYS 44 3HB LYS 44 9.414 7.634 5.279 346 HG2 LYS 44 2HG LYS 44 8.906 6.345 7.316 347 HG3 LYS 44 3HG LYS 44 9.286 8.037 7.646 348 HD2 LYS 44 2HD LYS 44 7.430 7.795 8.958 349 HD3 LYS 44 3HD LYS 44 6.662 8.295 7.449 350 HE2 LYS 44 2HE LYS 44 5.554 6.373 7.314 351 HE3 LYS 44 3HE LYS 44 7.046 5.449 7.472 352 HZ1 LYS 44 1HZ LYS 44 6.447 6.445 9.990 353 HZ2 LYS 44 2HZ LYS 44 6.364 4.837 9.472 354 HZ3 LYS 44 3HZ LYS 44 4.997 5.828 9.372 355 H GLU 45 HN GLU 45 8.036 8.871 2.930 356 HA GLU 45 HA GLU 45 10.506 10.255 2.600 357 HB2 GLU 45 2HB GLU 45 8.961 8.543 1.052 358 HB3 GLU 45 3HB GLU 45 8.873 10.075 0.195 359 HG2 GLU 45 2HG GLU 45 10.887 9.750 -0.646 360 HG3 GLU 45 3HG GLU 45 11.571 9.635 0.974 361 H GLY 46 HN GLY 46 7.109 11.095 2.041 362 HA2 GLY 46 1HA GLY 46 6.108 13.107 1.533 363 HA3 GLY 46 2HA GLY 46 7.253 13.748 2.702 364 H LEU 47 HN LEU 47 7.199 12.664 -0.695 365 HA LEU 47 HA LEU 47 9.152 14.750 -1.335 366 HB2 LEU 47 2HB LEU 47 9.412 13.595 -3.468 367 HB3 LEU 47 3HB LEU 47 9.677 12.512 -2.102 368 HG LEU 47 HG LEU 47 7.027 12.603 -3.501 369 HD11 LEU 47 1HD1 LEU 47 9.270 10.752 -4.265 370 HD12 LEU 47 2HD1 LEU 47 8.910 12.238 -5.144 371 HD13 LEU 47 3HD1 LEU 47 7.703 10.956 -5.050 372 HD21 LEU 47 1HD2 LEU 47 7.830 10.030 -2.645 373 HD22 LEU 47 2HD2 LEU 47 6.538 11.044 -2.003 374 HD23 LEU 47 3HD2 LEU 47 8.164 11.156 -1.329 375 H GLU 48 HN GLU 48 5.931 13.604 -2.239 376 HA GLU 48 HA GLU 48 4.708 15.988 -2.626 377 HB2 GLU 48 2HB GLU 48 4.823 16.129 -5.218 378 HB3 GLU 48 3HB GLU 48 6.125 16.823 -4.262 379 HG2 GLU 48 2HG GLU 48 6.736 14.093 -4.800 380 HG3 GLU 48 3HG GLU 48 6.289 14.891 -6.307 381 H THR 49 HN THR 49 5.135 12.714 -3.585 382 HA THR 49 HA THR 49 3.141 11.984 -5.196 383 HB THR 49 HB THR 49 3.631 10.641 -2.531 384 HG1 THR 49 1HG THR 49 5.274 10.999 -4.566 385 HG21 THR 49 1HG2 THR 49 2.974 8.957 -4.810 386 HG22 THR 49 2HG2 THR 49 1.681 10.090 -4.415 387 HG23 THR 49 3HG2 THR 49 2.286 8.977 -3.187 388 H ALA 50 HN ALA 50 2.709 13.265 -1.970 389 HA ALA 50 HA ALA 50 0.875 14.014 -0.849 390 HB1 ALA 50 1HB ALA 50 0.527 14.918 -3.328 391 HB2 ALA 50 2HB ALA 50 -0.882 13.863 -3.228 392 HB3 ALA 50 3HB ALA 50 -0.668 15.162 -2.055 393 H ILE 51 HN ILE 51 1.215 11.022 -1.911 394 HA ILE 51 HA ILE 51 0.037 9.048 -1.800 395 HB ILE 51 HB ILE 51 -0.735 10.340 0.820 396 HG12 ILE 51 2HG1 ILE 51 1.192 9.121 1.727 397 HG13 ILE 51 3HG1 ILE 51 1.554 8.483 0.125 398 HG21 ILE 51 1HG2 ILE 51 -0.513 7.394 0.441 399 HG22 ILE 51 2HG2 ILE 51 -1.472 8.312 1.600 400 HG23 ILE 51 3HG2 ILE 51 -1.982 8.216 -0.086 401 HD11 ILE 51 1HD1 ILE 51 2.493 10.410 -0.574 402 HD12 ILE 51 2HD1 ILE 51 1.403 11.419 0.377 403 HD13 ILE 51 3HD1 ILE 51 2.767 10.617 1.156 404 H SER 52 HN SER 52 -1.421 9.704 -3.558 405 HA SER 52 HA SER 52 -4.039 10.693 -2.864 406 HB2 SER 52 2HB SER 52 -4.446 10.022 -5.365 407 HB3 SER 52 3HB SER 52 -3.417 11.404 -4.989 408 HG SER 52 HG SER 52 -1.647 10.242 -5.483 409 H CYS 53 HN CYS 53 -6.012 9.552 -3.168 410 HA CYS 53 HA CYS 53 -6.404 7.238 -1.909 411 HB2 CYS 53 2HB CYS 53 -8.236 8.559 -2.856 412 HB3 CYS 53 3HB CYS 53 -7.808 8.013 -4.474 413 HA PRO 54 HA PRO 54 -4.221 4.060 -4.062 414 HB2 PRO 54 2HB PRO 54 -5.383 1.930 -2.844 415 HB3 PRO 54 3HB PRO 54 -4.179 2.950 -2.049 416 HG2 PRO 54 2HG PRO 54 -7.163 3.003 -1.810 417 HG3 PRO 54 3HG PRO 54 -5.935 3.143 -0.538 418 HD2 PRO 54 2HD PRO 54 -7.224 5.294 -1.561 419 HD3 PRO 54 3HD PRO 54 -5.547 5.371 -0.981 420 H ASP 55 HN ASP 55 -7.357 4.914 -4.574 421 HA ASP 55 HA ASP 55 -7.906 2.649 -6.368 422 HB2 ASP 55 2HB ASP 55 -9.702 3.008 -4.815 423 HB3 ASP 55 3HB ASP 55 -9.737 4.733 -5.171 424 H ALA 56 HN ALA 56 -7.338 2.969 -8.408 425 HA ALA 56 HA ALA 56 -6.910 5.604 -9.475 426 HB1 ALA 56 1HB ALA 56 -5.382 4.005 -10.238 427 HB2 ALA 56 2HB ALA 56 -6.652 2.837 -10.606 428 HB3 ALA 56 3HB ALA 56 -6.459 4.275 -11.610 429 H ALA 57 HN ALA 57 -9.681 4.233 -8.798 430 HA ALA 57 HA ALA 57 -11.044 5.462 -11.079 431 HB1 ALA 57 1HB ALA 57 -12.513 3.607 -11.420 432 HB2 ALA 57 2HB ALA 57 -10.855 3.014 -11.507 433 HB3 ALA 57 3HB ALA 57 -11.814 2.736 -10.055 434 H CYS 58 HN CYS 58 -10.598 6.188 -8.258 435 HA CYS 58 HA CYS 58 -13.017 5.779 -6.811 436 HB2 CYS 58 2HB CYS 58 -10.857 6.295 -5.718 437 HB3 CYS 58 3HB CYS 58 -10.900 7.906 -6.427 438 HA PRO 59 HA PRO 59 -15.560 8.777 -8.824 439 HB2 PRO 59 2HB PRO 59 -17.502 8.933 -6.933 440 HB3 PRO 59 3HB PRO 59 -17.340 7.559 -8.034 441 HG2 PRO 59 2HG PRO 59 -16.433 7.829 -5.193 442 HG3 PRO 59 3HG PRO 59 -17.226 6.456 -5.989 443 HD2 PRO 59 2HD PRO 59 -14.556 6.537 -5.542 444 HD3 PRO 59 3HD PRO 59 -15.266 5.717 -6.948 445 H LYS 60 HN LYS 60 -14.056 9.216 -5.760 446 HA LYS 60 HA LYS 60 -14.554 12.115 -5.931 447 HB2 LYS 60 2HB LYS 60 -14.638 10.262 -3.604 448 HB3 LYS 60 3HB LYS 60 -13.979 11.870 -3.335 449 HG2 LYS 60 2HG LYS 60 -16.476 11.923 -4.818 450 HG3 LYS 60 3HG LYS 60 -16.633 11.159 -3.235 451 HD2 LYS 60 2HD LYS 60 -15.068 13.655 -3.294 452 HD3 LYS 60 3HD LYS 60 -16.787 13.827 -3.656 453 HE2 LYS 60 2HE LYS 60 -16.421 12.070 -1.415 454 HE3 LYS 60 3HE LYS 60 -15.568 13.588 -1.135 455 HZ1 LYS 60 1HZ LYS 60 -18.189 13.968 -2.227 456 HZ2 LYS 60 2HZ LYS 60 -17.475 14.675 -0.866 457 HZ3 LYS 60 3HZ LYS 60 -18.221 13.161 -0.740 458 H GLN 61 HN GLN 61 -12.288 9.688 -6.138 459 HA GLN 61 HA GLN 61 -10.002 9.575 -5.798 460 HB2 GLN 61 2HB GLN 61 -9.772 12.268 -7.021 461 HB3 GLN 61 3HB GLN 61 -8.987 10.759 -7.465 462 HG2 GLN 61 2HG GLN 61 -10.995 9.980 -8.544 463 HG3 GLN 61 3HG GLN 61 -11.873 11.411 -8.008 464 HE21 GLN 61 1HE2 GLN 61 -10.457 13.492 -8.592 465 HE22 GLN 61 2HE2 GLN 61 -10.032 13.574 -10.264 466 H GLY 62 HN GLY 62 -10.931 10.283 -3.401 467 HA2 GLY 62 1HA GLY 62 -9.907 12.794 -2.469 468 HA3 GLY 62 2HA GLY 62 -10.521 11.482 -1.472 469 H HIS 63 HN HIS 63 -7.788 13.181 -2.418 470 HA HIS 63 HA HIS 63 -5.835 11.118 -2.113 471 HB2 HIS 63 2HB HIS 63 -4.498 12.686 -2.977 472 HB3 HIS 63 3HB HIS 63 -5.852 13.812 -2.950 473 HD1 HIS 63 1HD HIS 63 -6.089 14.518 -0.044 474 HD2 HIS 63 2HD HIS 63 -2.422 14.075 -1.947 475 HE1 HIS 63 1HE HIS 63 -4.451 15.829 1.341 476 H LEU 64 HN LEU 64 -4.102 11.276 -0.414 477 HA LEU 64 HA LEU 64 -5.366 11.716 2.206 478 HB2 LEU 64 2HB LEU 64 -3.103 9.909 1.376 479 HB3 LEU 64 3HB LEU 64 -3.601 10.162 3.048 480 HG LEU 64 HG LEU 64 -5.662 9.231 1.123 481 HD11 LEU 64 1HD1 LEU 64 -4.875 6.856 1.726 482 HD12 LEU 64 2HD1 LEU 64 -3.312 7.613 2.032 483 HD13 LEU 64 3HD1 LEU 64 -4.043 7.717 0.430 484 HD21 LEU 64 1HD2 LEU 64 -6.764 8.911 3.019 485 HD22 LEU 64 2HD2 LEU 64 -5.380 9.538 3.916 486 HD23 LEU 64 3HD2 LEU 64 -5.510 7.809 3.588 487 H GLN 65 HN GLN 65 -3.993 12.490 3.954 488 HA GLN 65 HA GLN 65 -2.245 14.617 3.023 489 HB2 GLN 65 2HB GLN 65 -2.518 14.333 5.913 490 HB3 GLN 65 3HB GLN 65 -2.859 15.716 4.882 491 HG2 GLN 65 2HG GLN 65 -4.926 15.250 5.767 492 HG3 GLN 65 3HG GLN 65 -4.982 14.394 4.227 493 HE21 GLN 65 1HE2 GLN 65 -3.024 12.420 5.467 494 HE22 GLN 65 2HE2 GLN 65 -4.033 11.370 6.396 495 H GLU 66 HN GLU 66 -0.249 15.052 4.418 496 HA GLU 66 HA GLU 66 1.332 12.604 4.440 497 HB2 GLU 66 2HB GLU 66 1.883 15.480 4.139 498 HB3 GLU 66 3HB GLU 66 3.080 14.603 5.082 499 HG2 GLU 66 2HG GLU 66 3.868 13.489 3.300 500 HG3 GLU 66 3HG GLU 66 2.273 13.310 2.572 501 H ASN 67 HN ASN 67 0.175 15.097 6.622 502 HA ASN 67 HA ASN 67 1.682 14.061 8.865 503 HB2 ASN 67 2HB ASN 67 1.428 16.205 9.474 504 HB3 ASN 67 3HB ASN 67 0.170 16.463 8.268 505 HD21 ASN 67 1HD2 ASN 67 -1.713 17.035 9.052 506 HD22 ASN 67 2HD2 ASN 67 -2.329 16.649 10.618 507 H GLU 68 HN GLU 68 -1.807 14.605 8.336 508 HA GLU 68 HA GLU 68 -2.876 13.226 10.396 509 HB2 GLU 68 2HB GLU 68 -3.773 14.044 7.811 510 HB3 GLU 68 3HB GLU 68 -4.383 12.425 8.124 511 HG2 GLU 68 2HG GLU 68 -4.658 14.360 10.328 512 HG3 GLU 68 3HG GLU 68 -5.636 14.664 8.894 513 H ILE 69 HN ILE 69 -1.726 11.784 7.366 514 HA ILE 69 HA ILE 69 -2.418 9.122 8.023 515 HB ILE 69 HB ILE 69 -0.493 10.305 6.042 516 HG12 ILE 69 2HG1 ILE 69 -3.270 9.426 6.064 517 HG13 ILE 69 3HG1 ILE 69 -2.424 10.438 4.899 518 HG21 ILE 69 1HG2 ILE 69 0.495 8.213 6.813 519 HG22 ILE 69 2HG2 ILE 69 -1.020 7.371 6.494 520 HG23 ILE 69 3HG2 ILE 69 -0.096 8.060 5.159 521 HD11 ILE 69 1HD1 ILE 69 -1.614 8.503 3.732 522 HD12 ILE 69 2HD1 ILE 69 -2.297 7.434 4.958 523 HD13 ILE 69 3HD1 ILE 69 -3.364 8.383 3.921 524 H GLU 70 HN GLU 70 0.819 10.630 7.901 525 HA GLU 70 HA GLU 70 2.264 8.594 9.055 526 HB2 GLU 70 2HB GLU 70 3.995 10.078 9.196 527 HB3 GLU 70 3HB GLU 70 2.938 10.994 8.131 528 HG2 GLU 70 2HG GLU 70 2.147 12.324 9.965 529 HG3 GLU 70 3HG GLU 70 3.041 11.335 11.118 530 H CYS 71 HN CYS 71 -0.096 10.572 10.517 531 HA CYS 71 HA CYS 71 0.857 10.366 13.212 532 HB2 CYS 71 2HB CYS 71 -0.547 12.143 13.186 533 HB3 CYS 71 3HB CYS 71 -1.483 11.510 11.837 534 HG CYS 71 HG CYS 71 -1.836 10.249 14.989 535 H MET 72 HN MET 72 -1.302 8.529 11.151 536 HA MET 72 HA MET 72 -2.215 6.851 13.326 537 HB2 MET 72 2HB MET 72 -3.732 5.957 11.840 538 HB3 MET 72 3HB MET 72 -3.488 7.552 11.139 539 HG2 MET 72 2HG MET 72 -1.533 6.028 9.943 540 HG3 MET 72 3HG MET 72 -2.904 4.926 10.054 541 HE1 MET 72 1HE MET 72 -3.281 4.530 7.799 542 HE2 MET 72 2HE MET 72 -3.856 5.654 6.568 543 HE3 MET 72 3HE MET 72 -2.137 5.576 6.956 544 H VAL 73 HN VAL 73 0.637 7.054 11.848 545 HA VAL 73 HA VAL 73 1.143 4.170 12.115 546 HB VAL 73 HB VAL 73 2.982 4.805 10.248 547 HG11 VAL 73 1HG1 VAL 73 1.468 3.733 8.608 548 HG12 VAL 73 2HG1 VAL 73 1.533 2.878 10.150 549 HG13 VAL 73 3HG1 VAL 73 0.147 3.897 9.763 550 HG21 VAL 73 1HG2 VAL 73 2.375 6.417 8.775 551 HG22 VAL 73 2HG2 VAL 73 0.650 6.162 9.035 552 HG23 VAL 73 3HG2 VAL 73 1.589 7.090 10.203 553 H ALA 74 HN ALA 74 3.109 7.039 11.341 554 HA ALA 74 HA ALA 74 5.130 6.197 13.231 555 HB1 ALA 74 1HB ALA 74 5.160 7.641 10.864 556 HB2 ALA 74 2HB ALA 74 5.532 8.834 12.109 557 HB3 ALA 74 3HB ALA 74 6.520 7.381 11.958 558 H ALA 75 HN ALA 75 2.584 6.886 14.367 559 HA ALA 75 HA ALA 75 2.123 9.325 15.390 560 HB1 ALA 75 1HB ALA 75 1.123 6.962 15.978 561 HB2 ALA 75 2HB ALA 75 2.179 7.118 17.384 562 HB3 ALA 75 3HB ALA 75 0.936 8.332 17.074 Start of MODEL 15 1 H1 ALA 1 HN ALA 1 -22.262 -15.760 3.580 2 HA ALA 1 HA ALA 1 -23.550 -16.226 1.669 3 HB1 ALA 1 1HB ALA 1 -24.850 -17.848 3.463 4 HB2 ALA 1 2HB ALA 1 -26.100 -16.692 2.999 5 HB3 ALA 1 3HB ALA 1 -25.274 -17.642 1.763 6 H LEU 2 HN LEU 2 -24.704 -14.494 4.488 7 HA LEU 2 HA LEU 2 -25.453 -12.261 2.756 8 HB2 LEU 2 2HB LEU 2 -27.553 -13.302 3.100 9 HB3 LEU 2 3HB LEU 2 -27.225 -13.554 4.813 10 HG LEU 2 HG LEU 2 -27.553 -11.250 5.299 11 HD11 LEU 2 1HD1 LEU 2 -27.932 -10.690 2.369 12 HD12 LEU 2 2HD1 LEU 2 -26.398 -10.455 3.205 13 HD13 LEU 2 3HD1 LEU 2 -27.818 -9.532 3.695 14 HD21 LEU 2 1HD2 LEU 2 -29.856 -10.865 4.252 15 HD22 LEU 2 2HD2 LEU 2 -29.631 -12.321 5.223 16 HD23 LEU 2 3HD2 LEU 2 -29.615 -12.423 3.462 17 H ASP 3 HN ASP 3 -23.549 -11.266 3.513 18 HA ASP 3 HA ASP 3 -23.901 -9.871 6.019 19 HB2 ASP 3 2HB ASP 3 -21.852 -11.998 5.650 20 HB3 ASP 3 3HB ASP 3 -21.359 -10.537 6.503 21 HA PRO 4 HA PRO 4 -21.963 -6.665 3.723 22 HB2 PRO 4 2HB PRO 4 -21.050 -5.115 5.757 23 HB3 PRO 4 3HB PRO 4 -22.760 -5.225 5.326 24 HG2 PRO 4 2HG PRO 4 -21.264 -6.620 7.512 25 HG3 PRO 4 3HG PRO 4 -22.864 -5.857 7.561 26 HD2 PRO 4 2HD PRO 4 -22.533 -8.535 7.325 27 HD3 PRO 4 3HD PRO 4 -23.899 -7.672 6.588 28 H LEU 5 HN LEU 5 -20.318 -8.435 3.122 29 HA LEU 5 HA LEU 5 -17.694 -7.779 4.287 30 HB2 LEU 5 2HB LEU 5 -18.104 -10.238 2.667 31 HB3 LEU 5 3HB LEU 5 -16.988 -9.939 3.998 32 HG LEU 5 HG LEU 5 -19.873 -10.013 4.666 33 HD11 LEU 5 1HD1 LEU 5 -19.649 -12.546 4.859 34 HD12 LEU 5 2HD1 LEU 5 -18.312 -12.395 3.719 35 HD13 LEU 5 3HD1 LEU 5 -19.932 -11.877 3.251 36 HD21 LEU 5 1HD2 LEU 5 -17.256 -10.699 5.915 37 HD22 LEU 5 2HD2 LEU 5 -18.720 -11.487 6.508 38 HD23 LEU 5 3HD2 LEU 5 -18.588 -9.728 6.543 39 H VAL 6 HN VAL 6 -15.856 -8.145 2.683 40 HA VAL 6 HA VAL 6 -14.840 -7.791 0.654 41 HB VAL 6 HB VAL 6 -17.509 -7.299 -0.636 42 HG11 VAL 6 1HG1 VAL 6 -16.444 -7.673 -2.621 43 HG12 VAL 6 2HG1 VAL 6 -15.100 -7.014 -1.688 44 HG13 VAL 6 3HG1 VAL 6 -15.253 -8.759 -1.905 45 HG21 VAL 6 1HG2 VAL 6 -16.305 -9.904 0.220 46 HG22 VAL 6 2HG2 VAL 6 -17.967 -9.339 0.385 47 HG23 VAL 6 3HG2 VAL 6 -17.352 -9.813 -1.198 48 H SER 7 HN SER 7 -13.931 -5.887 1.406 49 HA SER 7 HA SER 7 -15.289 -3.428 0.521 50 HB2 SER 7 2HB SER 7 -14.082 -4.093 3.147 51 HB3 SER 7 3HB SER 7 -13.747 -2.478 2.521 52 HG SER 7 HG SER 7 -15.733 -1.935 2.928 53 H CYS 8 HN CYS 8 -12.113 -3.755 2.003 54 HA CYS 8 HA CYS 8 -10.654 -2.107 0.495 55 HB2 CYS 8 2HB CYS 8 -9.844 -3.636 2.366 56 HB3 CYS 8 3HB CYS 8 -9.597 -4.863 1.128 57 H LYS 9 HN LYS 9 -9.348 -2.218 -1.388 58 HA LYS 9 HA LYS 9 -10.195 -4.261 -3.337 59 HB2 LYS 9 2HB LYS 9 -9.449 -1.485 -4.188 60 HB3 LYS 9 3HB LYS 9 -10.432 -2.676 -5.030 61 HG2 LYS 9 2HG LYS 9 -12.301 -2.249 -3.690 62 HG3 LYS 9 3HG LYS 9 -11.342 -1.412 -2.468 63 HD2 LYS 9 2HD LYS 9 -10.832 0.323 -4.230 64 HD3 LYS 9 3HD LYS 9 -12.055 -0.459 -5.235 65 HE2 LYS 9 2HE LYS 9 -12.505 0.714 -2.491 66 HE3 LYS 9 3HE LYS 9 -12.968 1.462 -4.019 67 HZ1 LYS 9 1HZ LYS 9 -14.807 0.294 -2.886 68 HZ2 LYS 9 2HZ LYS 9 -13.976 -1.166 -3.078 69 HZ3 LYS 9 3HZ LYS 9 -14.500 -0.306 -4.437 70 H LEU 10 HN LEU 10 -7.648 -2.761 -1.717 71 HA LEU 10 HA LEU 10 -5.619 -3.028 -3.708 72 HB2 LEU 10 2HB LEU 10 -5.528 -2.683 -0.721 73 HB3 LEU 10 3HB LEU 10 -4.078 -2.795 -1.716 74 HG LEU 10 HG LEU 10 -6.154 -0.703 -2.260 75 HD11 LEU 10 1HD1 LEU 10 -5.270 -0.774 0.191 76 HD12 LEU 10 2HD1 LEU 10 -5.316 0.753 -0.689 77 HD13 LEU 10 3HD1 LEU 10 -3.796 -0.125 -0.527 78 HD21 LEU 10 1HD2 LEU 10 -3.418 0.064 -2.606 79 HD22 LEU 10 2HD2 LEU 10 -4.705 -0.051 -3.809 80 HD23 LEU 10 3HD2 LEU 10 -3.716 -1.464 -3.436 81 H CYS 11 HN CYS 11 -6.876 -5.072 -1.145 82 HA CYS 11 HA CYS 11 -5.199 -7.265 -2.166 83 HB2 CYS 11 2HB CYS 11 -4.892 -8.122 0.071 84 HB3 CYS 11 3HB CYS 11 -4.371 -6.441 0.037 85 H LEU 12 HN LEU 12 -8.256 -6.099 -1.710 86 HA LEU 12 HA LEU 12 -10.348 -7.025 -1.504 87 HB2 LEU 12 2HB LEU 12 -8.881 -8.740 -3.476 88 HB3 LEU 12 3HB LEU 12 -10.575 -9.040 -3.095 89 HG LEU 12 HG LEU 12 -10.200 -6.270 -3.752 90 HD11 LEU 12 1HD1 LEU 12 -9.296 -8.218 -5.867 91 HD12 LEU 12 2HD1 LEU 12 -8.247 -7.095 -5.003 92 HD13 LEU 12 3HD1 LEU 12 -9.517 -6.479 -6.059 93 HD21 LEU 12 1HD2 LEU 12 -11.684 -8.510 -5.125 94 HD22 LEU 12 2HD2 LEU 12 -11.920 -6.785 -5.407 95 HD23 LEU 12 3HD2 LEU 12 -12.317 -7.485 -3.837 96 H GLY 13 HN GLY 13 -9.746 -7.589 0.796 97 HA2 GLY 13 1HA GLY 13 -9.945 -10.516 1.139 98 HA3 GLY 13 2HA GLY 13 -8.924 -9.532 2.176 99 H GLU 14 HN GLU 14 -11.878 -8.102 1.197 100 HA GLU 14 HA GLU 14 -13.780 -7.547 2.314 101 HB2 GLU 14 2HB GLU 14 -13.215 -10.198 3.639 102 HB3 GLU 14 3HB GLU 14 -14.658 -9.251 3.968 103 HG2 GLU 14 2HG GLU 14 -15.657 -9.944 2.110 104 HG3 GLU 14 3HG GLU 14 -14.226 -9.632 1.129 105 H TYR 15 HN TYR 15 -12.695 -9.212 5.170 106 HA TYR 15 HA TYR 15 -11.927 -8.498 7.194 107 HB2 TYR 15 2HB TYR 15 -11.304 -5.836 5.917 108 HB3 TYR 15 3HB TYR 15 -10.584 -6.533 7.364 109 HD1 TYR 15 1HD TYR 15 -10.456 -6.337 3.757 110 HD2 TYR 15 2HD TYR 15 -9.041 -8.489 7.144 111 HE1 TYR 15 1HE TYR 15 -8.651 -7.293 2.388 112 HE2 TYR 15 2HE TYR 15 -7.231 -9.449 5.785 113 HH TYR 15 HH TYR 15 -6.285 -9.550 3.783 114 HA PRO 16 HA PRO 16 -15.411 -6.492 8.961 115 HB2 PRO 16 2HB PRO 16 -14.386 -5.701 11.347 116 HB3 PRO 16 3HB PRO 16 -14.748 -7.389 10.970 117 HG2 PRO 16 2HG PRO 16 -12.123 -5.953 10.895 118 HG3 PRO 16 3HG PRO 16 -12.496 -7.570 11.518 119 HD2 PRO 16 2HD PRO 16 -11.371 -7.169 9.087 120 HD3 PRO 16 3HD PRO 16 -12.472 -8.522 9.418 121 H VAL 17 HN VAL 17 -15.666 -4.367 10.555 122 HA VAL 17 HA VAL 17 -14.842 -2.159 8.829 123 HB VAL 17 HB VAL 17 -17.117 -2.677 10.578 124 HG11 VAL 17 1HG1 VAL 17 -16.056 -1.071 12.035 125 HG12 VAL 17 2HG1 VAL 17 -15.802 0.035 10.684 126 HG13 VAL 17 3HG1 VAL 17 -17.439 -0.318 11.241 127 HG21 VAL 17 1HG2 VAL 17 -17.059 -2.241 8.077 128 HG22 VAL 17 2HG2 VAL 17 -18.275 -1.360 9.003 129 HG23 VAL 17 3HG2 VAL 17 -16.800 -0.545 8.483 130 H GLU 18 HN GLU 18 -14.156 -3.526 11.909 131 HA GLU 18 HA GLU 18 -12.967 -1.100 12.967 132 HB2 GLU 18 2HB GLU 18 -12.396 -3.616 14.363 133 HB3 GLU 18 3HB GLU 18 -13.053 -2.107 14.982 134 HG2 GLU 18 2HG GLU 18 -15.195 -2.889 13.671 135 HG3 GLU 18 3HG GLU 18 -14.458 -4.477 13.874 136 H GLN 19 HN GLN 19 -12.016 -3.056 10.633 137 HA GLN 19 HA GLN 19 -9.189 -3.055 11.466 138 HB2 GLN 19 2HB GLN 19 -10.770 -4.968 9.787 139 HB3 GLN 19 3HB GLN 19 -9.037 -4.810 9.534 140 HG2 GLN 19 2HG GLN 19 -8.691 -5.330 11.932 141 HG3 GLN 19 3HG GLN 19 -10.424 -5.620 12.078 142 HE21 GLN 19 1HE2 GLN 19 -7.975 -6.495 9.663 143 HE22 GLN 19 2HE2 GLN 19 -8.311 -8.190 9.687 144 H MET 20 HN MET 20 -11.409 -1.556 9.507 145 HA MET 20 HA MET 20 -9.387 -0.860 7.486 146 HB2 MET 20 2HB MET 20 -12.101 0.051 6.937 147 HB3 MET 20 3HB MET 20 -10.996 -0.865 5.921 148 HG2 MET 20 2HG MET 20 -11.663 -2.808 7.590 149 HG3 MET 20 3HG MET 20 -13.105 -1.811 7.773 150 HE1 MET 20 1HE MET 20 -11.333 -2.208 3.905 151 HE2 MET 20 2HE MET 20 -10.582 -2.945 5.321 152 HE3 MET 20 3HE MET 20 -11.464 -3.948 4.166 153 H THR 21 HN THR 21 -9.601 1.425 6.642 154 HA THR 21 HA THR 21 -10.452 3.329 8.699 155 HB THR 21 HB THR 21 -7.670 3.137 7.556 156 HG1 THR 21 1HG THR 21 -7.431 3.584 10.013 157 HG21 THR 21 1HG2 THR 21 -8.855 5.473 9.059 158 HG22 THR 21 2HG2 THR 21 -8.486 5.460 7.335 159 HG23 THR 21 3HG2 THR 21 -7.186 5.312 8.516 160 H THR 22 HN THR 22 -10.952 5.393 7.933 161 HA THR 22 HA THR 22 -11.747 5.487 5.173 162 HB THR 22 HB THR 22 -11.902 7.615 7.316 163 HG1 THR 22 1HG THR 22 -13.172 5.645 7.616 164 HG21 THR 22 1HG2 THR 22 -11.940 8.539 5.025 165 HG22 THR 22 2HG2 THR 22 -13.484 8.739 5.854 166 HG23 THR 22 3HG2 THR 22 -13.292 7.476 4.638 167 H ILE 23 HN ILE 23 -11.099 7.045 3.627 168 HA ILE 23 HA ILE 23 -8.310 7.513 3.532 169 HB ILE 23 HB ILE 23 -10.562 8.568 1.828 170 HG12 ILE 23 2HG1 ILE 23 -10.117 6.149 1.681 171 HG13 ILE 23 3HG1 ILE 23 -9.707 6.973 0.181 172 HG21 ILE 23 1HG2 ILE 23 -8.089 8.758 0.473 173 HG22 ILE 23 2HG2 ILE 23 -9.183 10.059 0.937 174 HG23 ILE 23 3HG2 ILE 23 -7.899 9.554 2.035 175 HD11 ILE 23 1HD1 ILE 23 -8.028 5.456 2.002 176 HD12 ILE 23 2HD1 ILE 23 -7.785 5.864 0.304 177 HD13 ILE 23 3HD1 ILE 23 -7.340 7.019 1.560 178 H ALA 24 HN ALA 24 -10.547 10.145 2.883 179 HA ALA 24 HA ALA 24 -10.391 11.753 5.046 180 HB1 ALA 24 1HB ALA 24 -8.181 12.000 5.392 181 HB2 ALA 24 2HB ALA 24 -7.765 11.582 3.730 182 HB3 ALA 24 3HB ALA 24 -8.317 13.211 4.116 183 H GLN 25 HN GLN 25 -10.317 11.417 1.629 184 HA GLN 25 HA GLN 25 -11.703 14.001 1.355 185 HB2 GLN 25 2HB GLN 25 -9.393 12.944 -0.096 186 HB3 GLN 25 3HB GLN 25 -10.687 13.488 -1.155 187 HG2 GLN 25 2HG GLN 25 -9.088 15.262 -0.754 188 HG3 GLN 25 3HG GLN 25 -10.664 15.672 -0.080 189 HE21 GLN 25 1HE2 GLN 25 -10.336 16.843 1.669 190 HE22 GLN 25 2HE2 GLN 25 -9.221 16.480 2.939 191 H CYS 26 HN CYS 26 -11.171 10.921 -0.366 192 HA CYS 26 HA CYS 26 -13.768 11.084 -1.616 193 HB2 CYS 26 2HB CYS 26 -13.148 8.880 -2.594 194 HB3 CYS 26 3HB CYS 26 -11.951 10.135 -2.896 195 H GLN 27 HN GLN 27 -12.512 9.871 1.300 196 HA GLN 27 HA GLN 27 -13.425 8.702 3.024 197 HB2 GLN 27 2HB GLN 27 -15.928 9.378 1.488 198 HB3 GLN 27 3HB GLN 27 -15.967 8.497 3.010 199 HG2 GLN 27 2HG GLN 27 -14.544 11.114 2.836 200 HG3 GLN 27 3HG GLN 27 -16.299 11.065 2.991 201 HE21 GLN 27 1HE2 GLN 27 -13.661 11.537 4.718 202 HE22 GLN 27 2HE2 GLN 27 -14.130 10.868 6.241 203 H CYS 28 HN CYS 28 -12.172 7.092 1.372 204 HA CYS 28 HA CYS 28 -13.973 4.930 0.578 205 HB2 CYS 28 2HB CYS 28 -11.071 5.520 0.026 206 HB3 CYS 28 3HB CYS 28 -11.775 3.946 -0.329 207 H ILE 29 HN ILE 29 -12.745 2.667 0.908 208 HA ILE 29 HA ILE 29 -11.958 2.531 3.745 209 HB ILE 29 HB ILE 29 -14.323 1.638 3.018 210 HG12 ILE 29 2HG1 ILE 29 -13.722 -0.416 4.668 211 HG13 ILE 29 3HG1 ILE 29 -12.316 0.608 4.939 212 HG21 ILE 29 1HG2 ILE 29 -14.395 -0.604 2.267 213 HG22 ILE 29 2HG2 ILE 29 -13.277 0.239 1.195 214 HG23 ILE 29 3HG2 ILE 29 -12.655 -0.805 2.474 215 HD11 ILE 29 1HD1 ILE 29 -13.772 2.455 5.558 216 HD12 ILE 29 2HD1 ILE 29 -15.187 1.444 5.265 217 HD13 ILE 29 3HD1 ILE 29 -14.069 1.039 6.566 218 H PHE 30 HN PHE 30 -10.127 1.469 4.168 219 HA PHE 30 HA PHE 30 -9.154 -0.610 2.402 220 HB2 PHE 30 2HB PHE 30 -7.602 1.951 2.829 221 HB3 PHE 30 3HB PHE 30 -6.932 0.487 2.117 222 HD1 PHE 30 1HD PHE 30 -8.908 3.448 1.560 223 HD2 PHE 30 2HD PHE 30 -7.814 -0.332 -0.060 224 HE1 PHE 30 1HE PHE 30 -9.689 4.177 -0.656 225 HE2 PHE 30 2HE PHE 30 -8.593 0.390 -2.280 226 HZ PHE 30 HZ PHE 30 -9.531 2.648 -2.580 227 H CYS 31 HN CYS 31 -8.216 -2.163 3.559 228 HA CYS 31 HA CYS 31 -8.085 -2.120 6.338 229 HB2 CYS 31 2HB CYS 31 -7.036 -4.243 6.204 230 HB3 CYS 31 3HB CYS 31 -8.102 -4.147 4.806 231 H THR 32 HN THR 32 -6.634 -1.420 7.776 232 HA THR 32 HA THR 32 -4.760 0.437 7.437 233 HB THR 32 HB THR 32 -4.202 -1.889 9.278 234 HG1 THR 32 1HG THR 32 -6.168 0.118 9.375 235 HG21 THR 32 1HG2 THR 32 -3.678 1.059 9.651 236 HG22 THR 32 2HG2 THR 32 -2.482 -0.079 9.027 237 HG23 THR 32 3HG2 THR 32 -3.112 -0.271 10.662 238 H LEU 33 HN LEU 33 -3.987 -3.040 7.283 239 HA LEU 33 HA LEU 33 -1.349 -3.074 6.795 240 HB2 LEU 33 2HB LEU 33 -3.599 -4.712 5.962 241 HB3 LEU 33 3HB LEU 33 -2.263 -4.775 4.814 242 HG LEU 33 HG LEU 33 -1.150 -5.111 7.387 243 HD11 LEU 33 1HD1 LEU 33 -3.721 -5.760 7.712 244 HD12 LEU 33 2HD1 LEU 33 -2.407 -6.609 8.524 245 HD13 LEU 33 3HD1 LEU 33 -3.124 -7.288 7.063 246 HD21 LEU 33 1HD2 LEU 33 -1.593 -6.838 4.978 247 HD22 LEU 33 2HD2 LEU 33 -0.817 -7.478 6.427 248 HD23 LEU 33 3HD2 LEU 33 -0.097 -6.114 5.570 249 H CYS 34 HN CYS 34 -3.601 -2.982 4.030 250 HA CYS 34 HA CYS 34 -1.673 -2.185 2.159 251 HB2 CYS 34 2HB CYS 34 -4.648 -1.657 2.026 252 HB3 CYS 34 3HB CYS 34 -3.529 -1.736 0.669 253 H LEU 35 HN LEU 35 -4.346 -0.185 3.424 254 HA LEU 35 HA LEU 35 -3.601 2.252 2.468 255 HB2 LEU 35 2HB LEU 35 -5.603 1.563 3.941 256 HB3 LEU 35 3HB LEU 35 -4.556 1.982 5.296 257 HG LEU 35 HG LEU 35 -4.452 4.273 4.582 258 HD11 LEU 35 1HD1 LEU 35 -6.029 4.875 2.596 259 HD12 LEU 35 2HD1 LEU 35 -5.741 3.204 2.113 260 HD13 LEU 35 3HD1 LEU 35 -4.385 4.319 2.284 261 HD21 LEU 35 1HD2 LEU 35 -7.280 4.173 4.186 262 HD22 LEU 35 2HD2 LEU 35 -6.374 4.651 5.622 263 HD23 LEU 35 3HD2 LEU 35 -6.814 2.960 5.377 264 H LYS 36 HN LYS 36 -1.973 0.386 4.848 265 HA LYS 36 HA LYS 36 -0.425 2.642 5.841 266 HB2 LYS 36 2HB LYS 36 -0.999 1.062 7.518 267 HB3 LYS 36 3HB LYS 36 -0.487 -0.293 6.522 268 HG2 LYS 36 2HG LYS 36 1.632 1.643 7.081 269 HG3 LYS 36 3HG LYS 36 0.983 0.841 8.512 270 HD2 LYS 36 2HD LYS 36 1.344 -1.091 6.436 271 HD3 LYS 36 3HD LYS 36 2.836 -0.168 6.636 272 HE2 LYS 36 2HE LYS 36 2.555 -0.588 9.137 273 HE3 LYS 36 3HE LYS 36 1.347 -1.789 8.682 274 HZ1 LYS 36 1HZ LYS 36 2.982 -3.221 8.345 275 HZ2 LYS 36 2HZ LYS 36 4.144 -2.049 8.715 276 HZ3 LYS 36 3HZ LYS 36 3.612 -2.237 7.121 277 H GLN 37 HN GLN 37 0.576 -0.587 4.715 278 HA GLN 37 HA GLN 37 3.168 -0.059 4.087 279 HB2 GLN 37 2HB GLN 37 1.464 -2.175 3.680 280 HB3 GLN 37 3HB GLN 37 1.866 -1.699 2.035 281 HG2 GLN 37 2HG GLN 37 4.070 -2.257 2.258 282 HG3 GLN 37 3HG GLN 37 4.072 -1.998 4.002 283 HE21 GLN 37 1HE2 GLN 37 2.250 -3.546 5.023 284 HE22 GLN 37 2HE2 GLN 37 2.483 -5.209 4.618 285 H TYR 38 HN TYR 38 0.380 1.129 2.471 286 HA TYR 38 HA TYR 38 1.753 1.799 0.019 287 HB2 TYR 38 2HB TYR 38 -0.397 1.623 -0.626 288 HB3 TYR 38 3HB TYR 38 -0.999 1.857 1.011 289 HD1 TYR 38 1HD TYR 38 0.987 4.122 -1.193 290 HD2 TYR 38 2HD TYR 38 -2.668 3.463 0.881 291 HE1 TYR 38 1HE TYR 38 0.242 6.387 -1.798 292 HE2 TYR 38 2HE TYR 38 -3.424 5.725 0.282 293 HH TYR 38 HH TYR 38 -1.838 7.636 -2.048 294 H VAL 39 HN VAL 39 0.209 3.698 2.616 295 HA VAL 39 HA VAL 39 1.397 6.149 1.744 296 HB VAL 39 HB VAL 39 0.432 7.148 3.722 297 HG11 VAL 39 1HG1 VAL 39 -1.049 5.594 1.825 298 HG12 VAL 39 2HG1 VAL 39 -1.906 5.630 3.366 299 HG13 VAL 39 3HG1 VAL 39 -1.464 7.139 2.565 300 HG21 VAL 39 1HG2 VAL 39 0.032 4.302 4.610 301 HG22 VAL 39 2HG2 VAL 39 0.920 5.587 5.430 302 HG23 VAL 39 3HG2 VAL 39 -0.839 5.658 5.326 303 H GLU 40 HN GLU 40 1.914 4.047 4.575 304 HA GLU 40 HA GLU 40 3.838 5.318 5.954 305 HB2 GLU 40 2HB GLU 40 2.938 2.710 5.836 306 HB3 GLU 40 3HB GLU 40 4.649 2.554 5.463 307 HG2 GLU 40 2HG GLU 40 4.008 4.282 7.752 308 HG3 GLU 40 3HG GLU 40 3.635 2.572 7.956 309 H LEU 41 HN LEU 41 4.208 3.914 2.784 310 HA LEU 41 HA LEU 41 7.084 4.233 2.765 311 HB2 LEU 41 2HB LEU 41 5.032 3.137 0.934 312 HB3 LEU 41 3HB LEU 41 6.508 3.757 0.198 313 HG LEU 41 HG LEU 41 6.822 1.434 0.469 314 HD11 LEU 41 1HD1 LEU 41 8.770 1.334 1.760 315 HD12 LEU 41 2HD1 LEU 41 8.189 2.554 2.894 316 HD13 LEU 41 3HD1 LEU 41 8.658 3.022 1.259 317 HD21 LEU 41 1HD2 LEU 41 5.706 0.259 1.982 318 HD22 LEU 41 2HD2 LEU 41 5.110 1.756 2.699 319 HD23 LEU 41 3HD2 LEU 41 6.613 1.037 3.279 320 H LEU 42 HN LEU 42 4.257 5.845 1.404 321 HA LEU 42 HA LEU 42 5.908 7.819 0.056 322 HB2 LEU 42 2HB LEU 42 2.962 7.298 0.214 323 HB3 LEU 42 3HB LEU 42 3.583 8.809 -0.447 324 HG LEU 42 HG LEU 42 4.646 6.281 -1.582 325 HD11 LEU 42 1HD1 LEU 42 2.142 6.002 -1.309 326 HD12 LEU 42 2HD1 LEU 42 2.779 5.852 -2.947 327 HD13 LEU 42 3HD1 LEU 42 1.971 7.338 -2.448 328 HD21 LEU 42 1HD2 LEU 42 5.555 7.964 -2.770 329 HD22 LEU 42 2HD2 LEU 42 4.274 9.099 -2.345 330 HD23 LEU 42 3HD2 LEU 42 4.019 7.921 -3.633 331 H ILE 43 HN ILE 43 3.170 8.043 2.336 332 HA ILE 43 HA ILE 43 3.280 10.616 3.101 333 HB ILE 43 HB ILE 43 2.171 8.316 4.203 334 HG12 ILE 43 2HG1 ILE 43 1.244 10.256 5.841 335 HG13 ILE 43 3HG1 ILE 43 1.955 11.246 4.571 336 HG21 ILE 43 1HG2 ILE 43 4.129 8.179 5.707 337 HG22 ILE 43 2HG2 ILE 43 3.722 9.775 6.336 338 HG23 ILE 43 3HG2 ILE 43 2.612 8.425 6.573 339 HD11 ILE 43 1HD1 ILE 43 0.232 10.870 3.240 340 HD12 ILE 43 2HD1 ILE 43 0.393 9.124 3.433 341 HD13 ILE 43 3HD1 ILE 43 -0.560 10.055 4.588 342 H LYS 44 HN LYS 44 5.694 8.220 3.760 343 HA LYS 44 HA LYS 44 7.034 9.689 5.825 344 HB2 LYS 44 2HB LYS 44 7.227 7.101 4.656 345 HB3 LYS 44 3HB LYS 44 8.806 7.864 4.530 346 HG2 LYS 44 2HG LYS 44 8.563 6.545 6.580 347 HG3 LYS 44 3HG LYS 44 8.850 8.253 6.915 348 HD2 LYS 44 2HD LYS 44 7.107 7.994 8.326 349 HD3 LYS 44 3HD LYS 44 6.153 8.222 6.859 350 HE2 LYS 44 2HE LYS 44 5.364 6.140 6.952 351 HE3 LYS 44 3HE LYS 44 6.978 5.467 7.176 352 HZ1 LYS 44 1HZ LYS 44 5.268 6.610 9.318 353 HZ2 LYS 44 2HZ LYS 44 6.818 5.969 9.536 354 HZ3 LYS 44 3HZ LYS 44 5.546 4.963 9.051 355 H GLU 45 HN GLU 45 7.528 9.207 2.350 356 HA GLU 45 HA GLU 45 9.896 10.802 2.240 357 HB2 GLU 45 2HB GLU 45 8.568 9.052 0.514 358 HB3 GLU 45 3HB GLU 45 8.476 10.618 -0.281 359 HG2 GLU 45 2HG GLU 45 10.444 9.830 -1.119 360 HG3 GLU 45 3HG GLU 45 11.025 10.721 0.287 361 H GLY 46 HN GLY 46 6.727 11.371 0.695 362 HA2 GLY 46 1HA GLY 46 5.503 13.305 0.447 363 HA3 GLY 46 2HA GLY 46 6.468 14.006 1.738 364 H LEU 47 HN LEU 47 6.882 12.999 -1.659 365 HA LEU 47 HA LEU 47 8.629 15.321 -2.058 366 HB2 LEU 47 2HB LEU 47 9.297 14.203 -4.145 367 HB3 LEU 47 3HB LEU 47 9.603 13.223 -2.712 368 HG LEU 47 HG LEU 47 7.128 12.801 -4.349 369 HD11 LEU 47 1HD1 LEU 47 9.014 12.730 -5.910 370 HD12 LEU 47 2HD1 LEU 47 8.305 11.135 -5.665 371 HD13 LEU 47 3HD1 LEU 47 9.824 11.555 -4.872 372 HD21 LEU 47 1HD2 LEU 47 8.434 11.556 -2.090 373 HD22 LEU 47 2HD2 LEU 47 8.175 10.406 -3.403 374 HD23 LEU 47 3HD2 LEU 47 6.811 11.304 -2.734 375 H GLU 48 HN GLU 48 5.620 13.876 -3.089 376 HA GLU 48 HA GLU 48 4.395 16.202 -3.885 377 HB2 GLU 48 2HB GLU 48 4.502 15.646 -6.477 378 HB3 GLU 48 3HB GLU 48 5.681 16.699 -5.709 379 HG2 GLU 48 2HG GLU 48 7.356 15.130 -5.808 380 HG3 GLU 48 3HG GLU 48 6.228 13.776 -5.881 381 H THR 49 HN THR 49 4.792 12.780 -4.273 382 HA THR 49 HA THR 49 2.665 11.865 -5.633 383 HB THR 49 HB THR 49 3.378 10.819 -2.887 384 HG1 THR 49 1HG THR 49 4.849 10.957 -5.137 385 HG21 THR 49 1HG2 THR 49 1.961 9.149 -3.297 386 HG22 THR 49 2HG2 THR 49 2.725 8.834 -4.856 387 HG23 THR 49 3HG2 THR 49 1.419 10.013 -4.736 388 H ALA 50 HN ALA 50 2.532 13.636 -2.649 389 HA ALA 50 HA ALA 50 0.814 14.427 -1.380 390 HB1 ALA 50 1HB ALA 50 -1.376 14.758 -2.746 391 HB2 ALA 50 2HB ALA 50 0.061 15.697 -3.153 392 HB3 ALA 50 3HB ALA 50 -0.373 14.286 -4.118 393 H ILE 51 HN ILE 51 1.124 11.385 -1.984 394 HA ILE 51 HA ILE 51 -0.071 9.431 -1.649 395 HB ILE 51 HB ILE 51 -0.647 11.036 0.842 396 HG12 ILE 51 2HG1 ILE 51 1.279 9.856 1.770 397 HG13 ILE 51 3HG1 ILE 51 1.484 8.966 0.265 398 HG21 ILE 51 1HG2 ILE 51 -2.154 9.050 0.455 399 HG22 ILE 51 2HG2 ILE 51 -0.714 8.041 0.576 400 HG23 ILE 51 3HG2 ILE 51 -1.220 9.023 1.951 401 HD11 ILE 51 1HD1 ILE 51 2.909 11.117 0.860 402 HD12 ILE 51 2HD1 ILE 51 2.447 10.719 -0.795 403 HD13 ILE 51 3HD1 ILE 51 1.528 11.920 0.112 404 H SER 52 HN SER 52 -1.668 9.532 -3.268 405 HA SER 52 HA SER 52 -4.291 10.554 -2.423 406 HB2 SER 52 2HB SER 52 -4.277 9.680 -5.156 407 HB3 SER 52 3HB SER 52 -4.506 11.309 -4.521 408 HG SER 52 HG SER 52 -2.690 11.573 -5.610 409 H CYS 53 HN CYS 53 -6.193 9.269 -2.975 410 HA CYS 53 HA CYS 53 -6.426 6.873 -1.849 411 HB2 CYS 53 2HB CYS 53 -8.288 8.121 -2.930 412 HB3 CYS 53 3HB CYS 53 -7.743 7.520 -4.493 413 HA PRO 54 HA PRO 54 -3.798 4.034 -3.984 414 HB2 PRO 54 2HB PRO 54 -4.792 1.747 -2.911 415 HB3 PRO 54 3HB PRO 54 -3.746 2.854 -2.014 416 HG2 PRO 54 2HG PRO 54 -6.727 2.587 -1.942 417 HG3 PRO 54 3HG PRO 54 -5.590 2.800 -0.597 418 HD2 PRO 54 2HD PRO 54 -7.043 4.846 -1.615 419 HD3 PRO 54 3HD PRO 54 -5.418 5.074 -0.940 420 H ASP 55 HN ASP 55 -7.096 4.414 -4.482 421 HA ASP 55 HA ASP 55 -7.375 2.179 -6.326 422 HB2 ASP 55 2HB ASP 55 -9.186 3.258 -4.703 423 HB3 ASP 55 3HB ASP 55 -9.456 4.301 -6.097 424 H ALA 56 HN ALA 56 -6.765 2.332 -8.370 425 HA ALA 56 HA ALA 56 -6.181 4.908 -9.550 426 HB1 ALA 56 1HB ALA 56 -5.675 2.071 -10.287 427 HB2 ALA 56 2HB ALA 56 -5.646 3.293 -11.560 428 HB3 ALA 56 3HB ALA 56 -4.555 3.430 -10.182 429 H ALA 57 HN ALA 57 -8.974 4.227 -8.949 430 HA ALA 57 HA ALA 57 -10.097 4.995 -11.493 431 HB1 ALA 57 1HB ALA 57 -10.013 2.279 -10.937 432 HB2 ALA 57 2HB ALA 57 -11.658 2.761 -10.523 433 HB3 ALA 57 3HB ALA 57 -11.027 3.080 -12.139 434 H CYS 58 HN CYS 58 -9.843 5.818 -8.579 435 HA CYS 58 HA CYS 58 -12.459 5.772 -7.463 436 HB2 CYS 58 2HB CYS 58 -10.264 6.126 -6.220 437 HB3 CYS 58 3HB CYS 58 -10.300 7.779 -6.823 438 HA PRO 59 HA PRO 59 -14.269 8.935 -9.985 439 HB2 PRO 59 2HB PRO 59 -16.555 9.222 -8.546 440 HB3 PRO 59 3HB PRO 59 -16.264 7.853 -9.625 441 HG2 PRO 59 2HG PRO 59 -15.968 8.017 -6.651 442 HG3 PRO 59 3HG PRO 59 -16.672 6.721 -7.635 443 HD2 PRO 59 2HD PRO 59 -14.163 6.584 -6.629 444 HD3 PRO 59 3HD PRO 59 -14.613 5.840 -8.177 445 H LYS 60 HN LYS 60 -13.191 9.245 -6.789 446 HA LYS 60 HA LYS 60 -13.597 12.162 -6.895 447 HB2 LYS 60 2HB LYS 60 -13.447 10.536 -4.356 448 HB3 LYS 60 3HB LYS 60 -13.866 12.237 -4.515 449 HG2 LYS 60 2HG LYS 60 -15.841 11.384 -5.939 450 HG3 LYS 60 3HG LYS 60 -15.496 9.824 -5.190 451 HD2 LYS 60 2HD LYS 60 -16.271 10.477 -3.173 452 HD3 LYS 60 3HD LYS 60 -15.627 12.112 -3.341 453 HE2 LYS 60 2HE LYS 60 -17.694 12.814 -3.755 454 HE3 LYS 60 3HE LYS 60 -17.651 11.897 -5.261 455 HZ1 LYS 60 1HZ LYS 60 -18.372 10.573 -2.728 456 HZ2 LYS 60 2HZ LYS 60 -18.762 10.126 -4.312 457 HZ3 LYS 60 3HZ LYS 60 -19.532 11.449 -3.594 458 H GLN 61 HN GLN 61 -11.453 9.509 -6.411 459 HA GLN 61 HA GLN 61 -9.246 9.380 -5.766 460 HB2 GLN 61 2HB GLN 61 -9.110 11.787 -7.588 461 HB3 GLN 61 3HB GLN 61 -7.798 10.672 -7.225 462 HG2 GLN 61 2HG GLN 61 -9.255 8.859 -8.231 463 HG3 GLN 61 3HG GLN 61 -10.279 10.162 -8.833 464 HE21 GLN 61 1HE2 GLN 61 -7.288 8.487 -9.162 465 HE22 GLN 61 2HE2 GLN 61 -6.757 9.272 -10.607 466 H GLY 62 HN GLY 62 -10.193 10.291 -3.592 467 HA2 GLY 62 1HA GLY 62 -9.469 12.964 -2.886 468 HA3 GLY 62 2HA GLY 62 -9.956 11.690 -1.777 469 H HIS 63 HN HIS 63 -7.791 13.703 -1.600 470 HA HIS 63 HA HIS 63 -5.379 12.071 -1.717 471 HB2 HIS 63 2HB HIS 63 -5.875 14.990 -1.149 472 HB3 HIS 63 3HB HIS 63 -4.298 14.244 -0.910 473 HD1 HIS 63 1HD HIS 63 -6.259 15.943 -3.398 474 HD2 HIS 63 2HD HIS 63 -3.319 13.006 -3.440 475 HE1 HIS 63 1HE HIS 63 -5.368 15.917 -5.749 476 H LEU 64 HN LEU 64 -3.870 12.214 0.197 477 HA LEU 64 HA LEU 64 -5.412 11.966 2.696 478 HB2 LEU 64 2HB LEU 64 -3.122 10.369 1.612 479 HB3 LEU 64 3HB LEU 64 -3.432 10.436 3.345 480 HG LEU 64 HG LEU 64 -5.631 9.628 1.490 481 HD11 LEU 64 1HD1 LEU 64 -4.745 7.231 2.093 482 HD12 LEU 64 2HD1 LEU 64 -3.190 8.061 2.158 483 HD13 LEU 64 3HD1 LEU 64 -4.145 8.092 0.676 484 HD21 LEU 64 1HD2 LEU 64 -5.726 8.054 3.701 485 HD22 LEU 64 2HD2 LEU 64 -6.570 9.594 3.530 486 HD23 LEU 64 3HD2 LEU 64 -5.014 9.528 4.358 487 H GLN 65 HN GLN 65 -4.164 12.389 4.683 488 HA GLN 65 HA GLN 65 -2.476 14.738 4.306 489 HB2 GLN 65 2HB GLN 65 -2.949 14.063 7.067 490 HB3 GLN 65 3HB GLN 65 -3.431 15.501 6.175 491 HG2 GLN 65 2HG GLN 65 -5.454 14.668 6.869 492 HG3 GLN 65 3HG GLN 65 -5.317 13.986 5.249 493 HE21 GLN 65 1HE2 GLN 65 -3.183 12.146 6.346 494 HE22 GLN 65 2HE2 GLN 65 -4.073 10.884 7.120 495 H GLU 66 HN GLU 66 -0.610 15.000 5.848 496 HA GLU 66 HA GLU 66 1.026 12.591 5.714 497 HB2 GLU 66 2HB GLU 66 1.552 15.508 5.936 498 HB3 GLU 66 3HB GLU 66 2.736 14.424 6.653 499 HG2 GLU 66 2HG GLU 66 2.311 13.297 4.193 500 HG3 GLU 66 3HG GLU 66 2.194 15.023 3.856 501 H ASN 67 HN ASN 67 0.137 15.059 8.124 502 HA ASN 67 HA ASN 67 1.348 13.758 10.315 503 HB2 ASN 67 2HB ASN 67 -0.221 15.235 11.675 504 HB3 ASN 67 3HB ASN 67 0.864 16.067 10.565 505 HD21 ASN 67 1HD2 ASN 67 -2.425 15.021 11.110 506 HD22 ASN 67 2HD2 ASN 67 -3.162 16.115 9.995 507 H GLU 68 HN GLU 68 -2.091 13.962 9.384 508 HA GLU 68 HA GLU 68 -3.159 12.308 11.310 509 HB2 GLU 68 2HB GLU 68 -3.991 13.361 8.760 510 HB3 GLU 68 3HB GLU 68 -4.558 11.708 8.943 511 HG2 GLU 68 2HG GLU 68 -4.945 13.516 11.247 512 HG3 GLU 68 3HG GLU 68 -5.925 13.819 9.814 513 H ILE 69 HN ILE 69 -2.156 11.310 8.035 514 HA ILE 69 HA ILE 69 -2.547 8.573 8.367 515 HB ILE 69 HB ILE 69 -0.707 10.135 6.578 516 HG12 ILE 69 2HG1 ILE 69 -3.418 9.099 6.465 517 HG13 ILE 69 3HG1 ILE 69 -2.624 10.272 5.419 518 HG21 ILE 69 1HG2 ILE 69 -1.014 7.137 6.664 519 HG22 ILE 69 2HG2 ILE 69 -0.181 8.042 5.402 520 HG23 ILE 69 3HG2 ILE 69 0.443 8.051 7.052 521 HD11 ILE 69 1HD1 ILE 69 -3.457 8.279 4.228 522 HD12 ILE 69 2HD1 ILE 69 -1.717 8.517 4.059 523 HD13 ILE 69 3HD1 ILE 69 -2.338 7.289 5.163 524 H GLU 70 HN GLU 70 0.602 10.256 8.440 525 HA GLU 70 HA GLU 70 2.126 8.151 9.380 526 HB2 GLU 70 2HB GLU 70 3.821 9.680 9.726 527 HB3 GLU 70 3HB GLU 70 2.793 10.557 8.602 528 HG2 GLU 70 2HG GLU 70 1.782 11.760 10.485 529 HG3 GLU 70 3HG GLU 70 2.852 10.902 11.592 530 H CYS 71 HN CYS 71 -0.139 10.132 11.075 531 HA CYS 71 HA CYS 71 0.833 9.617 13.709 532 HB2 CYS 71 2HB CYS 71 -0.499 11.464 13.804 533 HB3 CYS 71 3HB CYS 71 -1.545 10.905 12.505 534 HG CYS 71 HG CYS 71 -3.145 9.322 14.041 535 H MET 72 HN MET 72 -1.225 7.936 11.482 536 HA MET 72 HA MET 72 -2.254 6.145 13.528 537 HB2 MET 72 2HB MET 72 -3.850 5.560 12.033 538 HB3 MET 72 3HB MET 72 -3.360 7.048 11.234 539 HG2 MET 72 2HG MET 72 -1.662 5.510 10.007 540 HG3 MET 72 3HG MET 72 -2.753 4.222 10.509 541 HE1 MET 72 1HE MET 72 -1.899 5.235 7.474 542 HE2 MET 72 2HE MET 72 -2.838 3.771 7.768 543 HE3 MET 72 3HE MET 72 -3.430 4.987 6.634 544 H VAL 73 HN VAL 73 0.631 6.405 12.176 545 HA VAL 73 HA VAL 73 1.099 3.511 12.259 546 HB VAL 73 HB VAL 73 2.895 4.153 10.374 547 HG11 VAL 73 1HG1 VAL 73 0.573 2.650 10.532 548 HG12 VAL 73 2HG1 VAL 73 0.348 3.646 9.093 549 HG13 VAL 73 3HG1 VAL 73 1.767 2.608 9.235 550 HG21 VAL 73 1HG2 VAL 73 2.394 5.907 9.063 551 HG22 VAL 73 2HG2 VAL 73 0.657 5.621 9.172 552 HG23 VAL 73 3HG2 VAL 73 1.491 6.481 10.465 553 H ALA 74 HN ALA 74 2.989 6.473 11.635 554 HA ALA 74 HA ALA 74 5.054 5.525 13.453 555 HB1 ALA 74 1HB ALA 74 4.890 7.642 11.365 556 HB2 ALA 74 2HB ALA 74 6.102 7.795 12.637 557 HB3 ALA 74 3HB ALA 74 6.092 6.372 11.595 558 H ALA 75 HN ALA 75 2.598 6.197 14.681 559 HA ALA 75 HA ALA 75 2.308 8.736 15.697 560 HB1 ALA 75 1HB ALA 75 1.917 6.321 17.431 561 HB2 ALA 75 2HB ALA 75 0.984 7.817 17.387 562 HB3 ALA 75 3HB ALA 75 0.856 6.658 16.063 Start of MODEL 16 1 H1 ALA 1 HN ALA 1 -27.815 -11.879 1.086 2 HA ALA 1 HA ALA 1 -28.381 -10.296 3.459 3 HB1 ALA 1 1HB ALA 1 -26.709 -12.415 3.767 4 HB2 ALA 1 2HB ALA 1 -25.571 -11.127 3.365 5 HB3 ALA 1 3HB ALA 1 -26.659 -10.946 4.742 6 H LEU 2 HN LEU 2 -26.118 -8.826 3.654 7 HA LEU 2 HA LEU 2 -26.309 -7.112 1.389 8 HB2 LEU 2 2HB LEU 2 -24.845 -7.124 3.961 9 HB3 LEU 2 3HB LEU 2 -24.169 -6.138 2.667 10 HG LEU 2 HG LEU 2 -26.743 -5.317 2.606 11 HD11 LEU 2 1HD1 LEU 2 -26.247 -5.531 5.541 12 HD12 LEU 2 2HD1 LEU 2 -27.027 -6.859 4.685 13 HD13 LEU 2 3HD1 LEU 2 -27.756 -5.253 4.673 14 HD21 LEU 2 1HD2 LEU 2 -24.839 -3.848 2.663 15 HD22 LEU 2 2HD2 LEU 2 -24.500 -4.284 4.338 16 HD23 LEU 2 3HD2 LEU 2 -25.961 -3.379 3.940 17 H ASP 3 HN ASP 3 -23.360 -8.546 2.784 18 HA ASP 3 HA ASP 3 -22.487 -9.874 0.494 19 HB2 ASP 3 2HB ASP 3 -21.886 -6.974 0.567 20 HB3 ASP 3 3HB ASP 3 -20.548 -8.033 0.131 21 HA PRO 4 HA PRO 4 -19.594 -11.333 3.461 22 HB2 PRO 4 2HB PRO 4 -17.718 -12.403 1.816 23 HB3 PRO 4 3HB PRO 4 -19.301 -13.146 2.080 24 HG2 PRO 4 2HG PRO 4 -18.368 -11.431 -0.189 25 HG3 PRO 4 3HG PRO 4 -19.344 -12.912 -0.233 26 HD2 PRO 4 2HD PRO 4 -20.433 -10.442 -0.450 27 HD3 PRO 4 3HD PRO 4 -21.286 -11.798 0.315 28 H LEU 5 HN LEU 5 -19.199 -8.868 3.798 29 HA LEU 5 HA LEU 5 -17.746 -7.158 4.169 30 HB2 LEU 5 2HB LEU 5 -15.911 -9.531 4.078 31 HB3 LEU 5 3HB LEU 5 -15.298 -7.905 4.374 32 HG LEU 5 HG LEU 5 -16.542 -7.742 6.418 33 HD11 LEU 5 1HD1 LEU 5 -17.691 -10.442 5.720 34 HD12 LEU 5 2HD1 LEU 5 -18.562 -8.908 5.727 35 HD13 LEU 5 3HD1 LEU 5 -17.941 -9.575 7.236 36 HD21 LEU 5 1HD2 LEU 5 -14.734 -10.005 5.926 37 HD22 LEU 5 2HD2 LEU 5 -15.697 -10.126 7.399 38 HD23 LEU 5 3HD2 LEU 5 -14.654 -8.727 7.138 39 H VAL 6 HN VAL 6 -15.231 -8.761 2.379 40 HA VAL 6 HA VAL 6 -13.955 -7.877 0.664 41 HB VAL 6 HB VAL 6 -15.345 -7.824 -1.495 42 HG11 VAL 6 1HG1 VAL 6 -15.731 -10.371 -1.305 43 HG12 VAL 6 2HG1 VAL 6 -14.089 -9.748 -1.142 44 HG13 VAL 6 3HG1 VAL 6 -15.008 -10.203 0.293 45 HG21 VAL 6 1HG2 VAL 6 -17.556 -8.736 -1.418 46 HG22 VAL 6 2HG2 VAL 6 -17.438 -9.013 0.321 47 HG23 VAL 6 3HG2 VAL 6 -17.494 -7.366 -0.309 48 H SER 7 HN SER 7 -13.589 -5.779 1.617 49 HA SER 7 HA SER 7 -15.149 -3.628 0.343 50 HB2 SER 7 2HB SER 7 -13.492 -2.710 2.528 51 HB3 SER 7 3HB SER 7 -15.240 -2.584 2.326 52 HG SER 7 HG SER 7 -14.888 -5.058 2.914 53 H CYS 8 HN CYS 8 -11.886 -4.032 1.733 54 HA CYS 8 HA CYS 8 -10.596 -2.070 0.303 55 HB2 CYS 8 2HB CYS 8 -9.660 -3.489 2.184 56 HB3 CYS 8 3HB CYS 8 -9.338 -4.731 0.979 57 H LYS 9 HN LYS 9 -9.271 -2.080 -1.571 58 HA LYS 9 HA LYS 9 -9.920 -4.200 -3.512 59 HB2 LYS 9 2HB LYS 9 -9.538 -1.296 -4.234 60 HB3 LYS 9 3HB LYS 9 -10.140 -2.592 -5.260 61 HG2 LYS 9 2HG LYS 9 -12.158 -2.744 -3.913 62 HG3 LYS 9 3HG LYS 9 -11.551 -1.479 -2.842 63 HD2 LYS 9 2HD LYS 9 -11.341 -0.200 -5.184 64 HD3 LYS 9 3HD LYS 9 -12.675 -1.286 -5.575 65 HE2 LYS 9 2HE LYS 9 -13.161 -0.209 -2.999 66 HE3 LYS 9 3HE LYS 9 -12.716 1.126 -4.061 67 HZ1 LYS 9 1HZ LYS 9 -14.444 0.512 -5.576 68 HZ2 LYS 9 2HZ LYS 9 -15.121 0.646 -4.032 69 HZ3 LYS 9 3HZ LYS 9 -14.811 -0.882 -4.689 70 H LEU 10 HN LEU 10 -7.534 -3.009 -1.715 71 HA LEU 10 HA LEU 10 -5.469 -2.926 -3.767 72 HB2 LEU 10 2HB LEU 10 -5.429 -2.494 -0.790 73 HB3 LEU 10 3HB LEU 10 -3.968 -2.517 -1.776 74 HG LEU 10 HG LEU 10 -6.232 -0.586 -2.243 75 HD11 LEU 10 1HD1 LEU 10 -3.719 -0.153 -0.633 76 HD12 LEU 10 2HD1 LEU 10 -5.350 -0.279 0.023 77 HD13 LEU 10 3HD1 LEU 10 -4.928 1.068 -1.034 78 HD21 LEU 10 1HD2 LEU 10 -3.639 0.336 -2.990 79 HD22 LEU 10 2HD2 LEU 10 -5.048 0.042 -4.009 80 HD23 LEU 10 3HD2 LEU 10 -3.902 -1.260 -3.691 81 H CYS 11 HN CYS 11 -6.890 -5.153 -1.601 82 HA CYS 11 HA CYS 11 -4.864 -7.143 -2.327 83 HB2 CYS 11 2HB CYS 11 -4.868 -8.059 -0.048 84 HB3 CYS 11 3HB CYS 11 -4.303 -6.392 -0.062 85 H LEU 12 HN LEU 12 -7.917 -6.285 -2.633 86 HA LEU 12 HA LEU 12 -9.956 -7.327 -2.795 87 HB2 LEU 12 2HB LEU 12 -8.345 -9.636 -3.838 88 HB3 LEU 12 3HB LEU 12 -9.953 -9.111 -4.332 89 HG LEU 12 HG LEU 12 -7.576 -7.351 -4.801 90 HD11 LEU 12 1HD1 LEU 12 -7.859 -9.957 -5.865 91 HD12 LEU 12 2HD1 LEU 12 -6.680 -8.718 -6.294 92 HD13 LEU 12 3HD1 LEU 12 -8.216 -8.809 -7.155 93 HD21 LEU 12 1HD2 LEU 12 -9.359 -6.119 -5.428 94 HD22 LEU 12 2HD2 LEU 12 -10.389 -7.529 -5.673 95 HD23 LEU 12 3HD2 LEU 12 -9.219 -7.066 -6.909 96 H GLY 13 HN GLY 13 -9.103 -7.565 -0.210 97 HA2 GLY 13 1HA GLY 13 -9.520 -10.384 0.513 98 HA3 GLY 13 2HA GLY 13 -8.870 -9.141 1.573 99 H GLU 14 HN GLU 14 -10.463 -10.034 3.093 100 HA GLU 14 HA GLU 14 -12.985 -8.579 2.847 101 HB2 GLU 14 2HB GLU 14 -13.276 -11.287 3.979 102 HB3 GLU 14 3HB GLU 14 -14.366 -10.373 2.945 103 HG2 GLU 14 2HG GLU 14 -13.043 -10.936 1.000 104 HG3 GLU 14 3HG GLU 14 -11.877 -11.784 2.013 105 H TYR 15 HN TYR 15 -12.719 -7.223 4.519 106 HA TYR 15 HA TYR 15 -12.327 -8.416 7.174 107 HB2 TYR 15 2HB TYR 15 -11.137 -5.733 6.625 108 HB3 TYR 15 3HB TYR 15 -10.654 -6.954 7.797 109 HD1 TYR 15 1HD TYR 15 -9.105 -8.694 7.209 110 HD2 TYR 15 2HD TYR 15 -10.439 -5.918 4.274 111 HE1 TYR 15 1HE TYR 15 -7.324 -9.452 5.690 112 HE2 TYR 15 2HE TYR 15 -8.662 -6.668 2.747 113 HH TYR 15 HH TYR 15 -6.670 -9.442 3.469 114 HA PRO 16 HA PRO 16 -15.793 -6.015 8.398 115 HB2 PRO 16 2HB PRO 16 -15.218 -5.586 11.017 116 HB3 PRO 16 3HB PRO 16 -15.723 -7.159 10.389 117 HG2 PRO 16 2HG PRO 16 -12.970 -6.164 11.015 118 HG3 PRO 16 3HG PRO 16 -13.695 -7.745 11.366 119 HD2 PRO 16 2HD PRO 16 -12.017 -7.343 9.279 120 HD3 PRO 16 3HD PRO 16 -13.344 -8.522 9.225 121 H VAL 17 HN VAL 17 -16.480 -3.911 8.954 122 HA VAL 17 HA VAL 17 -14.764 -1.822 8.133 123 HB VAL 17 HB VAL 17 -17.494 -2.089 8.526 124 HG11 VAL 17 1HG1 VAL 17 -16.421 0.002 10.418 125 HG12 VAL 17 2HG1 VAL 17 -18.117 -0.224 9.985 126 HG13 VAL 17 3HG1 VAL 17 -17.258 -1.481 10.875 127 HG21 VAL 17 1HG2 VAL 17 -16.315 0.615 8.108 128 HG22 VAL 17 2HG2 VAL 17 -15.960 -0.658 6.940 129 HG23 VAL 17 3HG2 VAL 17 -17.631 -0.186 7.250 130 H GLU 18 HN GLU 18 -15.094 -3.408 11.107 131 HA GLU 18 HA GLU 18 -14.178 -1.140 12.689 132 HB2 GLU 18 2HB GLU 18 -14.740 -3.991 13.526 133 HB3 GLU 18 3HB GLU 18 -14.397 -2.648 14.607 134 HG2 GLU 18 2HG GLU 18 -16.538 -1.820 12.998 135 HG3 GLU 18 3HG GLU 18 -16.891 -3.479 13.476 136 H GLN 19 HN GLN 19 -12.585 -2.664 10.559 137 HA GLN 19 HA GLN 19 -10.136 -2.811 12.137 138 HB2 GLN 19 2HB GLN 19 -11.263 -5.062 10.492 139 HB3 GLN 19 3HB GLN 19 -9.534 -4.923 10.782 140 HG2 GLN 19 2HG GLN 19 -10.392 -4.703 13.295 141 HG3 GLN 19 3HG GLN 19 -11.720 -5.651 12.630 142 HE21 GLN 19 1HE2 GLN 19 -10.722 -7.108 14.337 143 HE22 GLN 19 2HE2 GLN 19 -9.515 -8.214 13.786 144 H MET 20 HN MET 20 -11.418 -1.092 10.011 145 HA MET 20 HA MET 20 -9.121 -1.099 8.173 146 HB2 MET 20 2HB MET 20 -11.844 -0.253 7.240 147 HB3 MET 20 3HB MET 20 -10.455 -0.756 6.286 148 HG2 MET 20 2HG MET 20 -11.260 -2.900 7.992 149 HG3 MET 20 3HG MET 20 -12.654 -2.298 7.099 150 HE1 MET 20 1HE MET 20 -11.556 -2.705 3.395 151 HE2 MET 20 2HE MET 20 -12.949 -2.521 4.460 152 HE3 MET 20 3HE MET 20 -11.678 -1.298 4.454 153 H THR 21 HN THR 21 -9.324 1.116 6.824 154 HA THR 21 HA THR 21 -9.977 3.297 8.676 155 HB THR 21 HB THR 21 -7.307 2.860 7.342 156 HG1 THR 21 1HG THR 21 -8.275 3.022 9.980 157 HG21 THR 21 1HG2 THR 21 -8.661 5.374 8.092 158 HG22 THR 21 2HG2 THR 21 -7.373 5.085 6.922 159 HG23 THR 21 3HG2 THR 21 -6.994 5.206 8.640 160 H THR 22 HN THR 22 -10.582 5.215 7.712 161 HA THR 22 HA THR 22 -11.325 5.009 4.909 162 HB THR 22 HB THR 22 -12.010 7.005 7.061 163 HG1 THR 22 1HG THR 22 -13.297 4.881 5.752 164 HG21 THR 22 1HG2 THR 22 -12.748 7.078 4.134 165 HG22 THR 22 2HG2 THR 22 -11.783 8.267 5.010 166 HG23 THR 22 3HG2 THR 22 -13.495 8.070 5.384 167 H ILE 23 HN ILE 23 -10.988 6.858 3.451 168 HA ILE 23 HA ILE 23 -8.253 7.593 3.348 169 HB ILE 23 HB ILE 23 -10.630 8.535 1.751 170 HG12 ILE 23 2HG1 ILE 23 -9.872 6.164 1.491 171 HG13 ILE 23 3HG1 ILE 23 -9.753 7.113 0.013 172 HG21 ILE 23 1HG2 ILE 23 -8.210 9.059 0.383 173 HG22 ILE 23 2HG2 ILE 23 -9.422 10.210 0.945 174 HG23 ILE 23 3HG2 ILE 23 -8.076 9.765 1.994 175 HD11 ILE 23 1HD1 ILE 23 -7.615 6.595 -0.157 176 HD12 ILE 23 2HD1 ILE 23 -7.293 7.316 1.420 177 HD13 ILE 23 3HD1 ILE 23 -7.746 5.616 1.303 178 H ALA 24 HN ALA 24 -10.753 10.028 2.914 179 HA ALA 24 HA ALA 24 -10.714 11.489 5.182 180 HB1 ALA 24 1HB ALA 24 -8.540 11.945 5.524 181 HB2 ALA 24 2HB ALA 24 -8.108 11.661 3.838 182 HB3 ALA 24 3HB ALA 24 -8.809 13.207 4.320 183 H GLN 25 HN GLN 25 -10.156 11.787 1.708 184 HA GLN 25 HA GLN 25 -11.887 14.153 1.638 185 HB2 GLN 25 2HB GLN 25 -9.599 13.251 0.085 186 HB3 GLN 25 3HB GLN 25 -10.952 13.706 -0.942 187 HG2 GLN 25 2HG GLN 25 -9.328 15.536 -0.457 188 HG3 GLN 25 3HG GLN 25 -11.005 15.901 -0.055 189 HE21 GLN 25 1HE2 GLN 25 -7.814 15.535 1.115 190 HE22 GLN 25 2HE2 GLN 25 -8.132 15.920 2.768 191 H CYS 26 HN CYS 26 -11.384 11.129 -0.184 192 HA CYS 26 HA CYS 26 -14.007 11.296 -1.368 193 HB2 CYS 26 2HB CYS 26 -13.379 9.004 -2.272 194 HB3 CYS 26 3HB CYS 26 -12.337 10.338 -2.754 195 H GLN 27 HN GLN 27 -12.530 9.727 1.359 196 HA GLN 27 HA GLN 27 -13.469 8.661 3.147 197 HB2 GLN 27 2HB GLN 27 -16.172 8.818 1.846 198 HB3 GLN 27 3HB GLN 27 -15.777 8.781 3.559 199 HG2 GLN 27 2HG GLN 27 -14.606 11.075 2.257 200 HG3 GLN 27 3HG GLN 27 -16.352 11.014 2.023 201 HE21 GLN 27 1HE2 GLN 27 -13.952 12.080 4.006 202 HE22 GLN 27 2HE2 GLN 27 -14.854 12.289 5.464 203 H CYS 28 HN CYS 28 -12.272 7.154 1.263 204 HA CYS 28 HA CYS 28 -14.035 4.990 0.465 205 HB2 CYS 28 2HB CYS 28 -11.110 5.571 0.036 206 HB3 CYS 28 3HB CYS 28 -11.814 4.014 -0.390 207 H ILE 29 HN ILE 29 -12.667 2.731 0.746 208 HA ILE 29 HA ILE 29 -11.986 2.501 3.597 209 HB ILE 29 HB ILE 29 -14.377 1.607 2.605 210 HG12 ILE 29 2HG1 ILE 29 -12.965 0.182 4.850 211 HG13 ILE 29 3HG1 ILE 29 -13.443 1.868 4.999 212 HG21 ILE 29 1HG2 ILE 29 -14.254 -0.829 2.505 213 HG22 ILE 29 2HG2 ILE 29 -13.271 -0.089 1.243 214 HG23 ILE 29 3HG2 ILE 29 -12.501 -0.753 2.683 215 HD11 ILE 29 1HD1 ILE 29 -15.070 -0.572 5.052 216 HD12 ILE 29 2HD1 ILE 29 -15.317 0.982 5.849 217 HD13 ILE 29 3HD1 ILE 29 -15.757 0.780 4.153 218 H PHE 30 HN PHE 30 -10.131 1.470 3.934 219 HA PHE 30 HA PHE 30 -9.281 -0.689 2.200 220 HB2 PHE 30 2HB PHE 30 -7.642 1.839 2.479 221 HB3 PHE 30 3HB PHE 30 -7.065 0.342 1.754 222 HD1 PHE 30 1HD PHE 30 -8.794 3.413 1.209 223 HD2 PHE 30 2HD PHE 30 -8.282 -0.534 -0.298 224 HE1 PHE 30 1HE PHE 30 -9.682 4.133 -0.969 225 HE2 PHE 30 2HE PHE 30 -9.169 0.180 -2.478 226 HZ PHE 30 HZ PHE 30 -9.870 2.516 -2.817 227 H CYS 31 HN CYS 31 -8.184 -2.195 3.307 228 HA CYS 31 HA CYS 31 -8.000 -2.136 6.084 229 HB2 CYS 31 2HB CYS 31 -6.860 -4.211 5.935 230 HB3 CYS 31 3HB CYS 31 -7.958 -4.169 4.558 231 H THR 32 HN THR 32 -6.634 -1.195 7.443 232 HA THR 32 HA THR 32 -4.761 0.654 6.923 233 HB THR 32 HB THR 32 -4.076 -1.294 9.089 234 HG1 THR 32 1HG THR 32 -6.425 0.279 8.896 235 HG21 THR 32 1HG2 THR 32 -4.089 1.703 8.789 236 HG22 THR 32 2HG2 THR 32 -2.704 0.637 9.025 237 HG23 THR 32 3HG2 THR 32 -3.849 0.900 10.340 238 H LEU 33 HN LEU 33 -4.060 -2.825 7.194 239 HA LEU 33 HA LEU 33 -1.360 -2.878 6.873 240 HB2 LEU 33 2HB LEU 33 -3.515 -4.673 5.830 241 HB3 LEU 33 3HB LEU 33 -1.826 -4.994 5.442 242 HG LEU 33 HG LEU 33 -2.456 -4.616 8.305 243 HD11 LEU 33 1HD1 LEU 33 -4.325 -5.929 7.979 244 HD12 LEU 33 2HD1 LEU 33 -3.083 -7.137 8.305 245 HD13 LEU 33 3HD1 LEU 33 -3.595 -6.825 6.646 246 HD21 LEU 33 1HD2 LEU 33 -1.000 -6.821 8.186 247 HD22 LEU 33 2HD2 LEU 33 -0.273 -5.220 8.031 248 HD23 LEU 33 3HD2 LEU 33 -0.603 -6.183 6.589 249 H CYS 34 HN CYS 34 -3.768 -2.506 4.302 250 HA CYS 34 HA CYS 34 -1.800 -2.375 2.218 251 HB2 CYS 34 2HB CYS 34 -4.768 -1.938 2.355 252 HB3 CYS 34 3HB CYS 34 -3.868 -1.481 0.912 253 H LEU 35 HN LEU 35 -4.140 0.042 3.415 254 HA LEU 35 HA LEU 35 -2.994 2.241 2.136 255 HB2 LEU 35 2HB LEU 35 -5.239 1.913 3.481 256 HB3 LEU 35 3HB LEU 35 -4.281 2.585 4.799 257 HG LEU 35 HG LEU 35 -3.787 4.522 3.180 258 HD11 LEU 35 1HD1 LEU 35 -5.007 2.998 1.341 259 HD12 LEU 35 2HD1 LEU 35 -4.956 4.759 1.263 260 HD13 LEU 35 3HD1 LEU 35 -6.384 3.946 1.903 261 HD21 LEU 35 1HD2 LEU 35 -5.929 5.622 3.783 262 HD22 LEU 35 2HD2 LEU 35 -5.147 4.812 5.140 263 HD23 LEU 35 3HD2 LEU 35 -6.531 4.062 4.343 264 H LYS 36 HN LYS 36 -1.769 0.400 4.668 265 HA LYS 36 HA LYS 36 -0.216 2.566 5.844 266 HB2 LYS 36 2HB LYS 36 -1.125 0.929 7.376 267 HB3 LYS 36 3HB LYS 36 -0.374 -0.384 6.481 268 HG2 LYS 36 2HG LYS 36 1.783 1.154 7.083 269 HG3 LYS 36 3HG LYS 36 0.755 1.415 8.494 270 HD2 LYS 36 2HD LYS 36 0.591 -1.314 8.029 271 HD3 LYS 36 3HD LYS 36 2.284 -0.924 7.719 272 HE2 LYS 36 2HE LYS 36 1.952 0.458 9.973 273 HE3 LYS 36 3HE LYS 36 0.721 -0.776 10.235 274 HZ1 LYS 36 1HZ LYS 36 3.407 -1.602 9.386 275 HZ2 LYS 36 2HZ LYS 36 2.272 -2.438 10.321 276 HZ3 LYS 36 3HZ LYS 36 3.159 -1.169 11.003 277 H GLN 37 HN GLN 37 0.542 -0.652 4.492 278 HA GLN 37 HA GLN 37 3.281 -0.251 4.207 279 HB2 GLN 37 2HB GLN 37 1.452 -2.281 3.606 280 HB3 GLN 37 3HB GLN 37 2.223 -1.898 2.073 281 HG2 GLN 37 2HG GLN 37 4.015 -3.047 2.654 282 HG3 GLN 37 3HG GLN 37 4.229 -2.039 4.085 283 HE21 GLN 37 1HE2 GLN 37 2.951 -2.643 5.994 284 HE22 GLN 37 2HE2 GLN 37 2.663 -4.320 6.293 285 H TYR 38 HN TYR 38 0.756 1.239 2.553 286 HA TYR 38 HA TYR 38 2.355 1.775 0.164 287 HB2 TYR 38 2HB TYR 38 0.285 1.481 -0.700 288 HB3 TYR 38 3HB TYR 38 -0.512 1.837 0.828 289 HD1 TYR 38 1HD TYR 38 1.520 3.693 -1.711 290 HD2 TYR 38 2HD TYR 38 -1.907 3.663 0.809 291 HE1 TYR 38 1HE TYR 38 0.875 5.906 -2.572 292 HE2 TYR 38 2HE TYR 38 -2.562 5.875 -0.045 293 HH TYR 38 HH TYR 38 -2.203 7.318 -1.887 294 H VAL 39 HN VAL 39 0.552 3.584 2.648 295 HA VAL 39 HA VAL 39 1.676 6.100 1.875 296 HB VAL 39 HB VAL 39 0.453 7.069 3.634 297 HG11 VAL 39 1HG1 VAL 39 -1.197 6.507 2.161 298 HG12 VAL 39 2HG1 VAL 39 -0.882 4.776 2.294 299 HG13 VAL 39 3HG1 VAL 39 -1.757 5.615 3.575 300 HG21 VAL 39 1HG2 VAL 39 1.241 5.730 5.473 301 HG22 VAL 39 2HG2 VAL 39 -0.523 5.736 5.487 302 HG23 VAL 39 3HG2 VAL 39 0.348 4.326 4.886 303 H GLU 40 HN GLU 40 2.163 3.904 4.630 304 HA GLU 40 HA GLU 40 3.927 5.255 6.172 305 HB2 GLU 40 2HB GLU 40 3.081 2.798 6.321 306 HB3 GLU 40 3HB GLU 40 4.557 2.412 5.446 307 HG2 GLU 40 2HG GLU 40 5.162 4.145 7.642 308 HG3 GLU 40 3HG GLU 40 4.228 2.762 8.207 309 H LEU 41 HN LEU 41 4.632 3.713 3.085 310 HA LEU 41 HA LEU 41 7.450 4.207 3.214 311 HB2 LEU 41 2HB LEU 41 5.570 3.307 1.062 312 HB3 LEU 41 3HB LEU 41 7.249 3.695 0.696 313 HG LEU 41 HG LEU 41 6.728 1.255 1.031 314 HD11 LEU 41 1HD1 LEU 41 8.739 2.336 2.989 315 HD12 LEU 41 2HD1 LEU 41 8.995 2.329 1.245 316 HD13 LEU 41 3HD1 LEU 41 8.785 0.807 2.111 317 HD21 LEU 41 1HD2 LEU 41 6.715 1.868 3.964 318 HD22 LEU 41 2HD2 LEU 41 6.239 0.387 3.132 319 HD23 LEU 41 3HD2 LEU 41 5.213 1.819 3.040 320 H LEU 42 HN LEU 42 4.657 5.904 1.981 321 HA LEU 42 HA LEU 42 6.285 7.878 0.606 322 HB2 LEU 42 2HB LEU 42 3.309 7.637 1.004 323 HB3 LEU 42 3HB LEU 42 4.085 8.932 0.095 324 HG LEU 42 HG LEU 42 4.726 6.181 -0.766 325 HD11 LEU 42 1HD1 LEU 42 2.697 5.564 -1.559 326 HD12 LEU 42 2HD1 LEU 42 2.148 7.226 -1.773 327 HD13 LEU 42 3HD1 LEU 42 2.144 6.495 -0.168 328 HD21 LEU 42 1HD2 LEU 42 5.428 7.339 -2.520 329 HD22 LEU 42 2HD2 LEU 42 4.859 8.831 -1.768 330 HD23 LEU 42 3HD2 LEU 42 3.784 7.905 -2.817 331 H ILE 43 HN ILE 43 3.686 8.103 3.043 332 HA ILE 43 HA ILE 43 3.919 10.637 3.894 333 HB ILE 43 HB ILE 43 3.055 8.179 5.130 334 HG12 ILE 43 2HG1 ILE 43 1.437 9.768 6.214 335 HG13 ILE 43 3HG1 ILE 43 2.329 11.095 5.476 336 HG21 ILE 43 1HG2 ILE 43 4.761 8.462 6.762 337 HG22 ILE 43 2HG2 ILE 43 4.422 10.186 6.908 338 HG23 ILE 43 3HG2 ILE 43 3.251 9.004 7.494 339 HD11 ILE 43 1HD1 ILE 43 1.609 10.567 3.352 340 HD12 ILE 43 2HD1 ILE 43 1.250 8.892 3.778 341 HD13 ILE 43 3HD1 ILE 43 0.195 10.190 4.336 342 H LYS 44 HN LYS 44 6.258 8.109 4.425 343 HA LYS 44 HA LYS 44 7.783 9.583 6.370 344 HB2 LYS 44 2HB LYS 44 7.813 6.924 5.215 345 HB3 LYS 44 3HB LYS 44 9.433 7.607 5.280 346 HG2 LYS 44 2HG LYS 44 8.837 6.279 7.274 347 HG3 LYS 44 3HG LYS 44 9.257 7.953 7.646 348 HD2 LYS 44 2HD LYS 44 7.364 7.735 8.910 349 HD3 LYS 44 3HD LYS 44 6.650 8.295 7.395 350 HE2 LYS 44 2HE LYS 44 5.506 6.400 7.154 351 HE3 LYS 44 3HE LYS 44 6.956 5.427 7.396 352 HZ1 LYS 44 1HZ LYS 44 6.274 6.414 9.882 353 HZ2 LYS 44 2HZ LYS 44 6.107 4.823 9.334 354 HZ3 LYS 44 3HZ LYS 44 4.817 5.906 9.187 355 H GLU 45 HN GLU 45 8.056 8.861 2.915 356 HA GLU 45 HA GLU 45 10.549 10.188 2.567 357 HB2 GLU 45 2HB GLU 45 8.874 8.580 1.003 358 HB3 GLU 45 3HB GLU 45 8.935 10.125 0.166 359 HG2 GLU 45 2HG GLU 45 10.837 9.444 -0.735 360 HG3 GLU 45 3HG GLU 45 11.568 9.633 0.858 361 H GLY 46 HN GLY 46 7.171 11.151 2.155 362 HA2 GLY 46 1HA GLY 46 6.221 13.197 1.679 363 HA3 GLY 46 2HA GLY 46 7.419 13.785 2.822 364 H LEU 47 HN LEU 47 7.179 12.791 -0.592 365 HA LEU 47 HA LEU 47 9.186 14.825 -1.258 366 HB2 LEU 47 2HB LEU 47 9.448 13.678 -3.361 367 HB3 LEU 47 3HB LEU 47 9.606 12.537 -2.028 368 HG LEU 47 HG LEU 47 7.033 12.848 -3.549 369 HD11 LEU 47 1HD1 LEU 47 9.110 12.275 -4.984 370 HD12 LEU 47 2HD1 LEU 47 7.662 11.278 -5.128 371 HD13 LEU 47 3HD1 LEU 47 9.031 10.711 -4.170 372 HD21 LEU 47 1HD2 LEU 47 6.379 11.463 -1.930 373 HD22 LEU 47 2HD2 LEU 47 8.034 11.187 -1.385 374 HD23 LEU 47 3HD2 LEU 47 7.373 10.238 -2.718 375 H GLU 48 HN GLU 48 5.941 13.714 -2.136 376 HA GLU 48 HA GLU 48 4.722 16.108 -2.460 377 HB2 GLU 48 2HB GLU 48 4.820 16.312 -5.048 378 HB3 GLU 48 3HB GLU 48 6.130 16.979 -4.085 379 HG2 GLU 48 2HG GLU 48 7.631 15.422 -4.785 380 HG3 GLU 48 3HG GLU 48 6.401 14.184 -5.032 381 H THR 49 HN THR 49 5.135 12.857 -3.496 382 HA THR 49 HA THR 49 3.135 12.163 -5.113 383 HB THR 49 HB THR 49 3.630 10.772 -2.473 384 HG1 THR 49 1HG THR 49 4.812 10.336 -5.033 385 HG21 THR 49 1HG2 THR 49 2.953 9.113 -4.755 386 HG22 THR 49 2HG2 THR 49 1.672 10.264 -4.374 387 HG23 THR 49 3HG2 THR 49 2.249 9.146 -3.139 388 H ALA 50 HN ALA 50 2.710 13.375 -1.857 389 HA ALA 50 HA ALA 50 0.881 14.138 -0.737 390 HB1 ALA 50 1HB ALA 50 0.505 15.028 -3.219 391 HB2 ALA 50 2HB ALA 50 -0.897 13.964 -3.099 392 HB3 ALA 50 3HB ALA 50 -0.680 15.271 -1.935 393 H ILE 51 HN ILE 51 1.210 11.144 -1.855 394 HA ILE 51 HA ILE 51 0.059 9.160 -1.704 395 HB ILE 51 HB ILE 51 -0.705 10.455 0.915 396 HG12 ILE 51 2HG1 ILE 51 1.232 9.261 1.817 397 HG13 ILE 51 3HG1 ILE 51 1.577 8.590 0.227 398 HG21 ILE 51 1HG2 ILE 51 -1.943 8.319 0.012 399 HG22 ILE 51 2HG2 ILE 51 -0.475 7.510 0.558 400 HG23 ILE 51 3HG2 ILE 51 -1.448 8.436 1.700 401 HD11 ILE 51 1HD1 ILE 51 1.445 11.536 0.454 402 HD12 ILE 51 2HD1 ILE 51 2.830 10.718 1.179 403 HD13 ILE 51 3HD1 ILE 51 2.485 10.516 -0.539 404 H SER 52 HN SER 52 -1.413 9.802 -3.457 405 HA SER 52 HA SER 52 -4.043 10.752 -2.733 406 HB2 SER 52 2HB SER 52 -2.883 11.312 -4.908 407 HB3 SER 52 3HB SER 52 -3.157 9.641 -5.403 408 HG SER 52 HG SER 52 -4.884 11.740 -5.358 409 H CYS 53 HN CYS 53 -5.999 9.582 -3.092 410 HA CYS 53 HA CYS 53 -6.361 7.239 -1.878 411 HB2 CYS 53 2HB CYS 53 -8.219 8.518 -2.802 412 HB3 CYS 53 3HB CYS 53 -7.747 8.064 -4.436 413 HA PRO 54 HA PRO 54 -4.101 4.134 -4.057 414 HB2 PRO 54 2HB PRO 54 -5.261 1.961 -2.913 415 HB3 PRO 54 3HB PRO 54 -4.088 2.980 -2.069 416 HG2 PRO 54 2HG PRO 54 -7.075 2.989 -1.893 417 HG3 PRO 54 3HG PRO 54 -5.877 3.115 -0.592 418 HD2 PRO 54 2HD PRO 54 -7.173 5.271 -1.594 419 HD3 PRO 54 3HD PRO 54 -5.511 5.357 -0.977 420 H ASP 55 HN ASP 55 -7.604 4.218 -3.992 421 HA ASP 55 HA ASP 55 -8.272 2.176 -5.715 422 HB2 ASP 55 2HB ASP 55 -9.696 4.072 -4.478 423 HB3 ASP 55 3HB ASP 55 -9.685 4.765 -6.098 424 H ALA 56 HN ALA 56 -8.739 2.121 -7.980 425 HA ALA 56 HA ALA 56 -6.903 3.811 -9.534 426 HB1 ALA 56 1HB ALA 56 -7.241 1.054 -9.485 427 HB2 ALA 56 2HB ALA 56 -8.009 1.570 -10.987 428 HB3 ALA 56 3HB ALA 56 -6.326 1.988 -10.670 429 H ALA 57 HN ALA 57 -10.018 3.846 -8.695 430 HA ALA 57 HA ALA 57 -10.787 5.458 -10.937 431 HB1 ALA 57 1HB ALA 57 -11.305 2.741 -11.191 432 HB2 ALA 57 2HB ALA 57 -12.845 3.443 -10.693 433 HB3 ALA 57 3HB ALA 57 -12.024 4.048 -12.132 434 H CYS 58 HN CYS 58 -10.523 5.829 -8.118 435 HA CYS 58 HA CYS 58 -12.796 5.657 -6.590 436 HB2 CYS 58 2HB CYS 58 -10.617 6.505 -5.780 437 HB3 CYS 58 3HB CYS 58 -10.884 8.001 -6.671 438 HA PRO 59 HA PRO 59 -15.797 8.127 -8.690 439 HB2 PRO 59 2HB PRO 59 -17.577 8.347 -6.651 440 HB3 PRO 59 3HB PRO 59 -17.368 6.863 -7.589 441 HG2 PRO 59 2HG PRO 59 -16.255 7.579 -4.904 442 HG3 PRO 59 3HG PRO 59 -16.968 6.049 -5.448 443 HD2 PRO 59 2HD PRO 59 -14.292 6.429 -5.276 444 HD3 PRO 59 3HD PRO 59 -15.031 5.374 -6.498 445 H LYS 60 HN LYS 60 -14.092 9.092 -5.859 446 HA LYS 60 HA LYS 60 -14.935 11.883 -6.294 447 HB2 LYS 60 2HB LYS 60 -14.109 10.529 -3.720 448 HB3 LYS 60 3HB LYS 60 -14.356 12.262 -3.890 449 HG2 LYS 60 2HG LYS 60 -16.583 10.527 -4.752 450 HG3 LYS 60 3HG LYS 60 -16.246 10.587 -3.021 451 HD2 LYS 60 2HD LYS 60 -16.305 13.094 -3.202 452 HD3 LYS 60 3HD LYS 60 -16.898 12.890 -4.852 453 HE2 LYS 60 2HE LYS 60 -18.809 11.610 -3.986 454 HE3 LYS 60 3HE LYS 60 -18.220 11.860 -2.343 455 HZ1 LYS 60 1HZ LYS 60 -18.445 14.269 -2.716 456 HZ2 LYS 60 2HZ LYS 60 -19.923 13.453 -2.827 457 HZ3 LYS 60 3HZ LYS 60 -19.130 13.961 -4.233 458 H GLN 61 HN GLN 61 -12.404 9.682 -6.442 459 HA GLN 61 HA GLN 61 -10.129 9.851 -6.597 460 HB2 GLN 61 2HB GLN 61 -11.085 12.354 -7.978 461 HB3 GLN 61 3HB GLN 61 -9.398 11.863 -7.976 462 HG2 GLN 61 2HG GLN 61 -10.763 9.590 -8.771 463 HG3 GLN 61 3HG GLN 61 -11.603 10.912 -9.581 464 HE21 GLN 61 1HE2 GLN 61 -10.708 9.720 -11.468 465 HE22 GLN 61 2HE2 GLN 61 -9.130 10.162 -12.018 466 H GLY 62 HN GLY 62 -10.676 10.360 -4.077 467 HA2 GLY 62 1HA GLY 62 -9.699 12.970 -3.273 468 HA3 GLY 62 2HA GLY 62 -10.224 11.676 -2.206 469 H HIS 63 HN HIS 63 -8.003 13.096 -1.550 470 HA HIS 63 HA HIS 63 -5.858 11.133 -2.010 471 HB2 HIS 63 2HB HIS 63 -4.487 12.698 -2.828 472 HB3 HIS 63 3HB HIS 63 -5.847 13.818 -2.843 473 HD1 HIS 63 1HD HIS 63 -6.156 14.506 0.074 474 HD2 HIS 63 2HD HIS 63 -2.454 14.139 -1.776 475 HE1 HIS 63 1HE HIS 63 -4.561 15.843 1.488 476 H LEU 64 HN LEU 64 -4.099 11.347 -0.302 477 HA LEU 64 HA LEU 64 -5.388 11.735 2.315 478 HB2 LEU 64 2HB LEU 64 -3.140 9.921 1.462 479 HB3 LEU 64 3HB LEU 64 -3.598 10.182 3.145 480 HG LEU 64 HG LEU 64 -5.731 9.280 1.295 481 HD11 LEU 64 1HD1 LEU 64 -4.222 7.745 0.477 482 HD12 LEU 64 2HD1 LEU 64 -4.891 6.883 1.862 483 HD13 LEU 64 3HD1 LEU 64 -3.317 7.666 1.989 484 HD21 LEU 64 1HD2 LEU 64 -5.562 7.760 3.655 485 HD22 LEU 64 2HD2 LEU 64 -6.718 9.036 3.267 486 HD23 LEU 64 3HD2 LEU 64 -5.217 9.430 4.108 487 H GLN 65 HN GLN 65 -4.003 12.475 4.080 488 HA GLN 65 HA GLN 65 -2.246 14.607 3.167 489 HB2 GLN 65 2HB GLN 65 -2.546 14.341 6.052 490 HB3 GLN 65 3HB GLN 65 -2.893 15.714 5.009 491 HG2 GLN 65 2HG GLN 65 -4.959 15.233 5.895 492 HG3 GLN 65 3HG GLN 65 -5.005 14.378 4.354 493 HE21 GLN 65 1HE2 GLN 65 -3.032 12.422 5.611 494 HE22 GLN 65 2HE2 GLN 65 -4.039 11.363 6.532 495 H GLU 66 HN GLU 66 -0.297 15.031 4.686 496 HA GLU 66 HA GLU 66 1.302 12.595 4.660 497 HB2 GLU 66 2HB GLU 66 1.847 15.491 4.528 498 HB3 GLU 66 3HB GLU 66 3.025 14.552 5.435 499 HG2 GLU 66 2HG GLU 66 3.896 13.658 3.593 500 HG3 GLU 66 3HG GLU 66 2.313 13.332 2.892 501 H ASN 67 HN ASN 67 0.214 15.091 6.909 502 HA ASN 67 HA ASN 67 1.595 13.930 9.151 503 HB2 ASN 67 2HB ASN 67 -0.038 15.603 10.380 504 HB3 ASN 67 3HB ASN 67 1.352 16.200 9.477 505 HD21 ASN 67 1HD2 ASN 67 -1.932 16.459 9.930 506 HD22 ASN 67 2HD2 ASN 67 -2.332 17.342 8.500 507 H GLU 68 HN GLU 68 -1.881 14.542 8.623 508 HA GLU 68 HA GLU 68 -3.008 13.086 10.574 509 HB2 GLU 68 2HB GLU 68 -3.829 13.972 7.986 510 HB3 GLU 68 3HB GLU 68 -4.448 12.346 8.238 511 HG2 GLU 68 2HG GLU 68 -4.787 14.231 10.479 512 HG3 GLU 68 3HG GLU 68 -5.727 14.561 9.025 513 H ILE 69 HN ILE 69 -1.701 11.737 7.573 514 HA ILE 69 HA ILE 69 -2.422 9.049 8.154 515 HB ILE 69 HB ILE 69 -0.492 10.281 6.207 516 HG12 ILE 69 2HG1 ILE 69 -3.269 9.393 6.194 517 HG13 ILE 69 3HG1 ILE 69 -2.421 10.440 5.061 518 HG21 ILE 69 1HG2 ILE 69 -1.024 7.336 6.587 519 HG22 ILE 69 2HG2 ILE 69 -0.087 8.057 5.279 520 HG23 ILE 69 3HG2 ILE 69 0.489 8.171 6.941 521 HD11 ILE 69 1HD1 ILE 69 -3.345 8.407 4.021 522 HD12 ILE 69 2HD1 ILE 69 -1.594 8.534 3.853 523 HD13 ILE 69 3HD1 ILE 69 -2.288 7.435 5.044 524 H GLU 70 HN GLU 70 0.805 10.575 8.064 525 HA GLU 70 HA GLU 70 2.275 8.544 9.173 526 HB2 GLU 70 2HB GLU 70 3.973 10.065 9.428 527 HB3 GLU 70 3HB GLU 70 2.932 10.962 8.331 528 HG2 GLU 70 2HG GLU 70 2.039 12.254 10.146 529 HG3 GLU 70 3HG GLU 70 2.919 11.280 11.322 530 H CYS 71 HN CYS 71 -0.116 10.457 10.694 531 HA CYS 71 HA CYS 71 0.806 10.176 13.382 532 HB2 CYS 71 2HB CYS 71 -1.039 11.768 12.202 533 HB3 CYS 71 3HB CYS 71 -2.090 10.549 12.911 534 HG CYS 71 HG CYS 71 -0.251 12.930 14.416 535 H MET 72 HN MET 72 -1.338 8.356 11.274 536 HA MET 72 HA MET 72 -2.145 6.558 13.394 537 HB2 MET 72 2HB MET 72 -3.681 5.695 11.913 538 HB3 MET 72 3HB MET 72 -3.488 7.320 11.266 539 HG2 MET 72 2HG MET 72 -1.548 5.973 9.925 540 HG3 MET 72 3HG MET 72 -2.784 4.730 10.104 541 HE1 MET 72 1HE MET 72 -3.272 4.509 7.479 542 HE2 MET 72 2HE MET 72 -3.341 5.923 6.427 543 HE3 MET 72 3HE MET 72 -1.863 5.558 7.320 544 H VAL 73 HN VAL 73 0.683 6.904 11.978 545 HA VAL 73 HA VAL 73 1.255 4.023 12.035 546 HB VAL 73 HB VAL 73 3.080 4.856 10.214 547 HG11 VAL 73 1HG1 VAL 73 0.355 4.006 9.300 548 HG12 VAL 73 2HG1 VAL 73 1.937 3.530 8.679 549 HG13 VAL 73 3HG1 VAL 73 1.379 2.919 10.238 550 HG21 VAL 73 1HG2 VAL 73 0.668 6.137 9.077 551 HG22 VAL 73 2HG2 VAL 73 1.553 7.056 10.296 552 HG23 VAL 73 3HG2 VAL 73 2.375 6.511 8.834 553 H ALA 74 HN ALA 74 3.158 6.975 11.440 554 HA ALA 74 HA ALA 74 5.168 6.067 13.322 555 HB1 ALA 74 1HB ALA 74 5.060 7.922 11.091 556 HB2 ALA 74 2HB ALA 74 5.927 8.582 12.479 557 HB3 ALA 74 3HB ALA 74 6.433 7.048 11.771 558 H ALA 75 HN ALA 75 2.560 6.796 14.372 559 HA ALA 75 HA ALA 75 2.337 9.304 15.476 560 HB1 ALA 75 1HB ALA 75 0.550 8.385 16.415 561 HB2 ALA 75 2HB ALA 75 1.093 6.811 15.833 562 HB3 ALA 75 3HB ALA 75 1.561 7.367 17.439 Start of MODEL 17 1 H1 ALA 1 HN ALA 1 -21.835 -21.103 7.987 2 HA ALA 1 HA ALA 1 -21.271 -22.103 6.015 3 HB1 ALA 1 1HB ALA 1 -22.950 -21.910 4.220 4 HB2 ALA 1 2HB ALA 1 -23.675 -22.218 5.799 5 HB3 ALA 1 3HB ALA 1 -23.720 -20.595 5.109 6 H LEU 2 HN LEU 2 -19.448 -21.543 5.028 7 HA LEU 2 HA LEU 2 -17.867 -20.314 3.929 8 HB2 LEU 2 2HB LEU 2 -20.121 -19.268 2.252 9 HB3 LEU 2 3HB LEU 2 -18.470 -19.648 1.767 10 HG LEU 2 HG LEU 2 -20.247 -21.857 2.696 11 HD11 LEU 2 1HD1 LEU 2 -20.729 -20.172 0.366 12 HD12 LEU 2 2HD1 LEU 2 -21.771 -21.365 1.140 13 HD13 LEU 2 3HD1 LEU 2 -20.554 -21.882 -0.026 14 HD21 LEU 2 1HD2 LEU 2 -18.343 -21.914 0.397 15 HD22 LEU 2 2HD2 LEU 2 -18.820 -23.210 1.494 16 HD23 LEU 2 3HD2 LEU 2 -17.723 -21.944 2.048 17 H ASP 3 HN ASP 3 -17.875 -18.972 5.988 18 HA ASP 3 HA ASP 3 -19.040 -16.659 6.576 19 HB2 ASP 3 2HB ASP 3 -16.702 -17.782 7.347 20 HB3 ASP 3 3HB ASP 3 -16.096 -16.371 6.485 21 HA PRO 4 HA PRO 4 -18.624 -14.566 2.563 22 HB2 PRO 4 2HB PRO 4 -20.759 -12.936 2.963 23 HB3 PRO 4 3HB PRO 4 -20.915 -14.600 2.386 24 HG2 PRO 4 2HG PRO 4 -21.275 -13.511 5.151 25 HG3 PRO 4 3HG PRO 4 -22.262 -14.698 4.279 26 HD2 PRO 4 2HD PRO 4 -20.432 -15.413 6.142 27 HD3 PRO 4 3HD PRO 4 -20.810 -16.428 4.736 28 H LEU 5 HN LEU 5 -16.623 -13.760 3.783 29 HA LEU 5 HA LEU 5 -17.039 -10.949 4.563 30 HB2 LEU 5 2HB LEU 5 -15.270 -13.064 5.690 31 HB3 LEU 5 3HB LEU 5 -14.733 -11.387 5.742 32 HG LEU 5 HG LEU 5 -17.306 -12.396 6.947 33 HD11 LEU 5 1HD1 LEU 5 -16.277 -12.708 8.939 34 HD12 LEU 5 2HD1 LEU 5 -15.058 -11.471 8.630 35 HD13 LEU 5 3HD1 LEU 5 -14.903 -13.065 7.892 36 HD21 LEU 5 1HD2 LEU 5 -17.842 -10.252 7.120 37 HD22 LEU 5 2HD2 LEU 5 -16.328 -9.782 6.348 38 HD23 LEU 5 3HD2 LEU 5 -16.399 -9.988 8.099 39 H VAL 6 HN VAL 6 -15.859 -9.424 3.543 40 HA VAL 6 HA VAL 6 -13.366 -9.682 2.376 41 HB VAL 6 HB VAL 6 -14.190 -11.259 0.799 42 HG11 VAL 6 1HG1 VAL 6 -16.285 -11.330 0.045 43 HG12 VAL 6 2HG1 VAL 6 -16.631 -9.995 1.145 44 HG13 VAL 6 3HG1 VAL 6 -16.209 -9.668 -0.536 45 HG21 VAL 6 1HG2 VAL 6 -14.152 -8.580 -0.585 46 HG22 VAL 6 2HG2 VAL 6 -12.717 -9.473 -0.081 47 HG23 VAL 6 3HG2 VAL 6 -13.791 -10.148 -1.305 48 H SER 7 HN SER 7 -12.848 -7.617 2.706 49 HA SER 7 HA SER 7 -14.588 -5.551 1.532 50 HB2 SER 7 2HB SER 7 -12.923 -5.073 3.996 51 HB3 SER 7 3HB SER 7 -14.275 -4.122 3.382 52 HG SER 7 HG SER 7 -15.467 -5.282 4.649 53 H CYS 8 HN CYS 8 -12.739 -3.450 2.330 54 HA CYS 8 HA CYS 8 -11.024 -2.269 1.413 55 HB2 CYS 8 2HB CYS 8 -9.538 -3.643 2.623 56 HB3 CYS 8 3HB CYS 8 -9.839 -5.031 1.582 57 H LYS 9 HN LYS 9 -9.740 -1.898 -0.564 58 HA LYS 9 HA LYS 9 -10.702 -3.401 -2.894 59 HB2 LYS 9 2HB LYS 9 -10.429 -0.530 -3.392 60 HB3 LYS 9 3HB LYS 9 -11.704 -1.642 -3.877 61 HG2 LYS 9 2HG LYS 9 -12.805 -1.410 -1.775 62 HG3 LYS 9 3HG LYS 9 -11.453 -0.492 -1.108 63 HD2 LYS 9 2HD LYS 9 -11.884 1.325 -2.648 64 HD3 LYS 9 3HD LYS 9 -13.164 0.396 -3.430 65 HE2 LYS 9 2HE LYS 9 -13.249 1.041 -0.500 66 HE3 LYS 9 3HE LYS 9 -13.841 2.176 -1.711 67 HZ1 LYS 9 1HZ LYS 9 -15.002 -0.180 -2.412 68 HZ2 LYS 9 2HZ LYS 9 -15.750 1.072 -1.556 69 HZ3 LYS 9 3HZ LYS 9 -15.052 -0.223 -0.721 70 H LEU 10 HN LEU 10 -8.270 -3.880 -1.856 71 HA LEU 10 HA LEU 10 -6.507 -2.829 -3.927 72 HB2 LEU 10 2HB LEU 10 -6.016 -2.597 -0.974 73 HB3 LEU 10 3HB LEU 10 -4.698 -2.581 -2.144 74 HG LEU 10 HG LEU 10 -6.970 -0.612 -2.250 75 HD11 LEU 10 1HD1 LEU 10 -4.299 -0.074 -0.990 76 HD12 LEU 10 2HD1 LEU 10 -5.694 -0.600 -0.048 77 HD13 LEU 10 3HD1 LEU 10 -5.758 0.915 -0.948 78 HD21 LEU 10 1HD2 LEU 10 -5.813 0.415 -3.893 79 HD22 LEU 10 2HD2 LEU 10 -5.122 -1.193 -4.117 80 HD23 LEU 10 3HD2 LEU 10 -4.246 0.022 -3.184 81 H CYS 11 HN CYS 11 -7.079 -5.118 -1.318 82 HA CYS 11 HA CYS 11 -5.335 -7.039 -2.715 83 HB2 CYS 11 2HB CYS 11 -4.702 -8.006 -0.602 84 HB3 CYS 11 3HB CYS 11 -4.409 -6.271 -0.520 85 H LEU 12 HN LEU 12 -8.437 -6.300 -1.623 86 HA LEU 12 HA LEU 12 -10.392 -7.460 -1.453 87 HB2 LEU 12 2HB LEU 12 -9.306 -9.547 -3.277 88 HB3 LEU 12 3HB LEU 12 -10.899 -8.792 -3.255 89 HG LEU 12 HG LEU 12 -10.073 -7.866 -5.161 90 HD11 LEU 12 1HD1 LEU 12 -9.882 -5.658 -4.754 91 HD12 LEU 12 2HD1 LEU 12 -8.575 -5.872 -3.592 92 HD13 LEU 12 3HD1 LEU 12 -10.245 -6.150 -3.098 93 HD21 LEU 12 1HD2 LEU 12 -7.371 -7.145 -4.612 94 HD22 LEU 12 2HD2 LEU 12 -7.994 -8.285 -5.806 95 HD23 LEU 12 3HD2 LEU 12 -7.610 -8.836 -4.174 96 H GLY 13 HN GLY 13 -9.382 -7.985 0.771 97 HA2 GLY 13 1HA GLY 13 -9.027 -10.901 1.042 98 HA3 GLY 13 2HA GLY 13 -8.433 -9.706 2.185 99 H GLU 14 HN GLU 14 -9.697 -9.101 3.861 100 HA GLU 14 HA GLU 14 -12.438 -9.029 4.023 101 HB2 GLU 14 2HB GLU 14 -12.626 -11.241 5.489 102 HB3 GLU 14 3HB GLU 14 -12.903 -11.246 3.753 103 HG2 GLU 14 2HG GLU 14 -10.923 -12.309 3.297 104 HG3 GLU 14 3HG GLU 14 -10.154 -11.745 4.779 105 H TYR 15 HN TYR 15 -12.718 -7.720 5.692 106 HA TYR 15 HA TYR 15 -11.623 -8.319 8.282 107 HB2 TYR 15 2HB TYR 15 -10.858 -5.595 7.380 108 HB3 TYR 15 3HB TYR 15 -10.046 -6.680 8.505 109 HD1 TYR 15 1HD TYR 15 -8.509 -8.399 7.685 110 HD2 TYR 15 2HD TYR 15 -10.382 -5.666 5.014 111 HE1 TYR 15 1HE TYR 15 -6.894 -9.012 5.934 112 HE2 TYR 15 2HE TYR 15 -8.772 -6.272 3.256 113 HH TYR 15 HH TYR 15 -5.940 -7.880 3.832 114 HA PRO 16 HA PRO 16 -15.200 -6.160 9.623 115 HB2 PRO 16 2HB PRO 16 -14.381 -5.188 12.023 116 HB3 PRO 16 3HB PRO 16 -14.714 -6.902 11.742 117 HG2 PRO 16 2HG PRO 16 -12.088 -5.465 11.785 118 HG3 PRO 16 3HG PRO 16 -12.517 -7.034 12.493 119 HD2 PRO 16 2HD PRO 16 -11.187 -6.810 10.145 120 HD3 PRO 16 3HD PRO 16 -12.315 -8.139 10.481 121 H VAL 17 HN VAL 17 -16.098 -4.068 10.068 122 HA VAL 17 HA VAL 17 -14.929 -1.976 8.583 123 HB VAL 17 HB VAL 17 -17.440 -2.462 9.516 124 HG11 VAL 17 1HG1 VAL 17 -16.595 -1.575 11.763 125 HG12 VAL 17 2HG1 VAL 17 -16.609 0.013 10.995 126 HG13 VAL 17 3HG1 VAL 17 -18.104 -0.912 11.136 127 HG21 VAL 17 1HG2 VAL 17 -16.866 0.360 8.852 128 HG22 VAL 17 2HG2 VAL 17 -16.327 -0.849 7.688 129 HG23 VAL 17 3HG2 VAL 17 -18.029 -0.760 8.141 130 H GLU 18 HN GLU 18 -14.123 -3.106 11.595 131 HA GLU 18 HA GLU 18 -13.292 -0.481 12.602 132 HB2 GLU 18 2HB GLU 18 -14.374 -1.598 14.333 133 HB3 GLU 18 3HB GLU 18 -13.705 -3.160 13.877 134 HG2 GLU 18 2HG GLU 18 -12.727 -2.396 15.946 135 HG3 GLU 18 3HG GLU 18 -11.506 -2.448 14.676 136 H GLN 19 HN GLN 19 -12.095 -3.058 10.849 137 HA GLN 19 HA GLN 19 -9.347 -2.683 11.801 138 HB2 GLN 19 2HB GLN 19 -10.788 -4.863 10.391 139 HB3 GLN 19 3HB GLN 19 -9.093 -4.637 9.979 140 HG2 GLN 19 2HG GLN 19 -8.424 -4.982 12.245 141 HG3 GLN 19 3HG GLN 19 -10.100 -4.986 12.790 142 HE21 GLN 19 1HE2 GLN 19 -8.306 -6.610 10.192 143 HE22 GLN 19 2HE2 GLN 19 -8.830 -8.205 10.595 144 H MET 20 HN MET 20 -11.420 -1.536 9.462 145 HA MET 20 HA MET 20 -9.307 -1.117 7.477 146 HB2 MET 20 2HB MET 20 -12.036 -0.081 6.980 147 HB3 MET 20 3HB MET 20 -10.931 -0.912 5.893 148 HG2 MET 20 2HG MET 20 -11.523 -2.922 7.573 149 HG3 MET 20 3HG MET 20 -13.016 -1.990 7.667 150 HE1 MET 20 1HE MET 20 -10.429 -3.670 5.463 151 HE2 MET 20 2HE MET 20 -11.247 -3.983 3.932 152 HE3 MET 20 3HE MET 20 -10.690 -2.353 4.318 153 H THR 21 HN THR 21 -9.456 1.119 6.369 154 HA THR 21 HA THR 21 -9.881 3.229 8.373 155 HB THR 21 HB THR 21 -7.406 2.807 6.700 156 HG1 THR 21 1HG THR 21 -6.886 1.979 8.590 157 HG21 THR 21 1HG2 THR 21 -6.633 4.994 7.439 158 HG22 THR 21 2HG2 THR 21 -8.163 5.271 8.273 159 HG23 THR 21 3HG2 THR 21 -8.126 5.156 6.514 160 H THR 22 HN THR 22 -10.881 5.000 7.622 161 HA THR 22 HA THR 22 -11.821 5.013 4.900 162 HB THR 22 HB THR 22 -12.247 6.964 7.167 163 HG1 THR 22 1HG THR 22 -13.232 4.754 7.147 164 HG21 THR 22 1HG2 THR 22 -12.459 8.206 5.130 165 HG22 THR 22 2HG2 THR 22 -14.086 7.854 5.714 166 HG23 THR 22 3HG2 THR 22 -13.405 6.920 4.382 167 H ILE 23 HN ILE 23 -11.697 6.990 3.553 168 HA ILE 23 HA ILE 23 -8.984 8.116 3.678 169 HB ILE 23 HB ILE 23 -10.871 7.996 1.322 170 HG12 ILE 23 2HG1 ILE 23 -10.067 5.771 1.989 171 HG13 ILE 23 3HG1 ILE 23 -9.363 6.267 0.453 172 HG21 ILE 23 1HG2 ILE 23 -8.186 9.191 1.751 173 HG22 ILE 23 2HG2 ILE 23 -8.524 8.441 0.192 174 HG23 ILE 23 3HG2 ILE 23 -9.537 9.763 0.772 175 HD11 ILE 23 1HD1 ILE 23 -7.559 5.370 1.553 176 HD12 ILE 23 2HD1 ILE 23 -7.392 7.085 1.931 177 HD13 ILE 23 3HD1 ILE 23 -8.075 5.981 3.124 178 H ALA 24 HN ALA 24 -9.071 9.970 4.810 179 HA ALA 24 HA ALA 24 -11.248 11.721 4.976 180 HB1 ALA 24 1HB ALA 24 -9.052 13.322 5.424 181 HB2 ALA 24 2HB ALA 24 -9.894 12.352 6.633 182 HB3 ALA 24 3HB ALA 24 -8.466 11.707 5.825 183 H GLN 25 HN GLN 25 -11.860 11.780 2.676 184 HA GLN 25 HA GLN 25 -11.475 14.196 1.476 185 HB2 GLN 25 2HB GLN 25 -9.176 12.505 1.090 186 HB3 GLN 25 3HB GLN 25 -9.936 12.847 -0.458 187 HG2 GLN 25 2HG GLN 25 -9.053 14.904 1.554 188 HG3 GLN 25 3HG GLN 25 -8.189 14.462 0.081 189 HE21 GLN 25 1HE2 GLN 25 -10.396 16.554 1.439 190 HE22 GLN 25 2HE2 GLN 25 -11.055 17.226 -0.009 191 H CYS 26 HN CYS 26 -11.294 10.840 0.274 192 HA CYS 26 HA CYS 26 -13.548 11.417 -1.509 193 HB2 CYS 26 2HB CYS 26 -12.925 9.295 -2.627 194 HB3 CYS 26 3HB CYS 26 -11.601 10.456 -2.596 195 H GLN 27 HN GLN 27 -12.651 9.583 1.288 196 HA GLN 27 HA GLN 27 -13.953 8.473 2.806 197 HB2 GLN 27 2HB GLN 27 -16.335 8.814 1.001 198 HB3 GLN 27 3HB GLN 27 -16.306 8.619 2.748 199 HG2 GLN 27 2HG GLN 27 -15.029 11.008 1.502 200 HG3 GLN 27 3HG GLN 27 -16.779 10.945 1.701 201 HE21 GLN 27 1HE2 GLN 27 -13.946 11.875 3.108 202 HE22 GLN 27 2HE2 GLN 27 -14.466 11.978 4.752 203 H CYS 28 HN CYS 28 -12.460 6.875 1.516 204 HA CYS 28 HA CYS 28 -14.142 4.791 0.294 205 HB2 CYS 28 2HB CYS 28 -11.229 5.479 -0.037 206 HB3 CYS 28 3HB CYS 28 -11.868 3.913 -0.525 207 H ILE 29 HN ILE 29 -12.682 2.577 0.551 208 HA ILE 29 HA ILE 29 -12.081 2.290 3.413 209 HB ILE 29 HB ILE 29 -14.407 1.332 2.312 210 HG12 ILE 29 2HG1 ILE 29 -12.995 -0.020 4.609 211 HG13 ILE 29 3HG1 ILE 29 -13.637 1.614 4.738 212 HG21 ILE 29 1HG2 ILE 29 -14.182 -1.099 2.198 213 HG22 ILE 29 2HG2 ILE 29 -13.187 -0.306 0.978 214 HG23 ILE 29 3HG2 ILE 29 -12.442 -0.952 2.439 215 HD11 ILE 29 1HD1 ILE 29 -15.745 0.896 4.926 216 HD12 ILE 29 2HD1 ILE 29 -15.534 -0.361 3.707 217 HD13 ILE 29 3HD1 ILE 29 -14.997 -0.640 5.363 218 H PHE 30 HN PHE 30 -10.211 1.297 3.785 219 HA PHE 30 HA PHE 30 -9.233 -0.769 2.006 220 HB2 PHE 30 2HB PHE 30 -7.667 1.782 2.442 221 HB3 PHE 30 3HB PHE 30 -7.048 0.337 1.652 222 HD1 PHE 30 1HD PHE 30 -7.974 -0.370 -0.529 223 HD2 PHE 30 2HD PHE 30 -9.052 3.322 1.293 224 HE1 PHE 30 1HE PHE 30 -8.830 0.442 -2.689 225 HE2 PHE 30 2HE PHE 30 -9.910 4.140 -0.862 226 HZ PHE 30 HZ PHE 30 -9.801 2.699 -2.857 227 H CYS 31 HN CYS 31 -8.286 -2.316 3.162 228 HA CYS 31 HA CYS 31 -8.112 -2.258 5.940 229 HB2 CYS 31 2HB CYS 31 -7.063 -4.382 5.799 230 HB3 CYS 31 3HB CYS 31 -8.151 -4.295 4.417 231 H THR 32 HN THR 32 -6.685 -1.443 7.324 232 HA THR 32 HA THR 32 -4.788 0.371 6.903 233 HB THR 32 HB THR 32 -4.207 -1.849 8.860 234 HG1 THR 32 1HG THR 32 -6.241 0.110 8.878 235 HG21 THR 32 1HG2 THR 32 -3.741 1.136 8.921 236 HG22 THR 32 2HG2 THR 32 -2.513 -0.110 8.694 237 HG23 THR 32 3HG2 THR 32 -3.365 0.019 10.233 238 H LEU 33 HN LEU 33 -4.115 -3.124 6.830 239 HA LEU 33 HA LEU 33 -1.441 -3.185 6.381 240 HB2 LEU 33 2HB LEU 33 -3.696 -4.840 5.377 241 HB3 LEU 33 3HB LEU 33 -2.099 -5.102 4.678 242 HG LEU 33 HG LEU 33 -2.825 -6.605 6.616 243 HD11 LEU 33 1HD1 LEU 33 -0.622 -6.868 6.070 244 HD12 LEU 33 2HD1 LEU 33 -0.462 -6.229 7.705 245 HD13 LEU 33 3HD1 LEU 33 -0.240 -5.163 6.318 246 HD21 LEU 33 1HD2 LEU 33 -2.303 -4.024 8.073 247 HD22 LEU 33 2HD2 LEU 33 -2.236 -5.604 8.855 248 HD23 LEU 33 3HD2 LEU 33 -3.744 -5.038 8.136 249 H CYS 34 HN CYS 34 -3.916 -2.733 3.863 250 HA CYS 34 HA CYS 34 -1.978 -2.281 1.803 251 HB2 CYS 34 2HB CYS 34 -4.965 -1.819 1.889 252 HB3 CYS 34 3HB CYS 34 -3.975 -1.613 0.448 253 H LEU 35 HN LEU 35 -4.483 -0.130 3.162 254 HA LEU 35 HA LEU 35 -3.608 2.240 2.067 255 HB2 LEU 35 2HB LEU 35 -5.578 1.509 3.804 256 HB3 LEU 35 3HB LEU 35 -4.533 2.479 4.839 257 HG LEU 35 HG LEU 35 -5.666 3.455 2.222 258 HD11 LEU 35 1HD1 LEU 35 -7.058 2.970 4.613 259 HD12 LEU 35 2HD1 LEU 35 -7.607 3.880 3.205 260 HD13 LEU 35 3HD1 LEU 35 -6.797 4.713 4.532 261 HD21 LEU 35 1HD2 LEU 35 -3.963 4.902 2.610 262 HD22 LEU 35 2HD2 LEU 35 -3.942 4.591 4.346 263 HD23 LEU 35 3HD2 LEU 35 -5.173 5.650 3.654 264 H LYS 36 HN LYS 36 -2.072 0.336 4.434 265 HA LYS 36 HA LYS 36 -0.477 2.542 5.477 266 HB2 LYS 36 2HB LYS 36 -1.237 0.872 7.072 267 HB3 LYS 36 3HB LYS 36 -0.486 -0.410 6.132 268 HG2 LYS 36 2HG LYS 36 1.351 1.721 6.934 269 HG3 LYS 36 3HG LYS 36 0.637 0.825 8.277 270 HD2 LYS 36 2HD LYS 36 1.282 -1.232 6.699 271 HD3 LYS 36 3HD LYS 36 2.507 -0.079 6.162 272 HE2 LYS 36 2HE LYS 36 3.372 0.145 8.368 273 HE3 LYS 36 3HE LYS 36 2.014 -0.742 9.058 274 HZ1 LYS 36 1HZ LYS 36 4.454 -1.751 8.105 275 HZ2 LYS 36 2HZ LYS 36 3.211 -2.380 7.147 276 HZ3 LYS 36 3HZ LYS 36 3.176 -2.593 8.824 277 H GLN 37 HN GLN 37 0.421 -0.720 4.355 278 HA GLN 37 HA GLN 37 3.028 -0.387 3.798 279 HB2 GLN 37 2HB GLN 37 0.947 -2.130 2.836 280 HB3 GLN 37 3HB GLN 37 2.072 -1.761 1.534 281 HG2 GLN 37 2HG GLN 37 3.811 -2.830 2.540 282 HG3 GLN 37 3HG GLN 37 3.199 -2.534 4.166 283 HE21 GLN 37 1HE2 GLN 37 0.890 -3.617 4.402 284 HE22 GLN 37 2HE2 GLN 37 0.862 -5.289 3.972 285 H TYR 38 HN TYR 38 0.404 1.089 2.088 286 HA TYR 38 HA TYR 38 2.012 1.886 -0.175 287 HB2 TYR 38 2HB TYR 38 -0.129 1.730 -0.932 288 HB3 TYR 38 3HB TYR 38 -0.825 2.125 0.635 289 HD1 TYR 38 1HD TYR 38 -2.243 3.932 0.424 290 HD2 TYR 38 2HD TYR 38 1.460 3.981 -1.672 291 HE1 TYR 38 1HE TYR 38 -2.725 6.212 -0.361 292 HE2 TYR 38 2HE TYR 38 0.989 6.263 -2.461 293 HH TYR 38 HH TYR 38 -2.031 7.922 -1.591 294 H VAL 39 HN VAL 39 0.099 3.836 2.116 295 HA VAL 39 HA VAL 39 1.486 6.226 1.636 296 HB VAL 39 HB VAL 39 0.367 7.139 3.540 297 HG11 VAL 39 1HG1 VAL 39 -1.468 5.052 2.374 298 HG12 VAL 39 2HG1 VAL 39 -1.922 6.614 3.059 299 HG13 VAL 39 3HG1 VAL 39 -1.009 6.542 1.550 300 HG21 VAL 39 1HG2 VAL 39 -0.893 5.643 5.112 301 HG22 VAL 39 2HG2 VAL 39 -0.042 4.277 4.389 302 HG23 VAL 39 3HG2 VAL 39 0.864 5.535 5.231 303 H GLU 40 HN GLU 40 1.806 3.884 4.298 304 HA GLU 40 HA GLU 40 3.586 4.957 5.963 305 HB2 GLU 40 2HB GLU 40 2.759 2.474 5.688 306 HB3 GLU 40 3HB GLU 40 4.314 2.259 4.896 307 HG2 GLU 40 2HG GLU 40 4.653 3.682 7.362 308 HG3 GLU 40 3HG GLU 40 3.760 2.187 7.634 309 H LEU 41 HN LEU 41 4.479 3.587 2.809 310 HA LEU 41 HA LEU 41 7.240 4.249 3.052 311 HB2 LEU 41 2HB LEU 41 5.459 3.164 0.962 312 HB3 LEU 41 3HB LEU 41 6.909 3.989 0.395 313 HG LEU 41 HG LEU 41 7.503 1.730 0.484 314 HD11 LEU 41 1HD1 LEU 41 9.016 3.390 1.710 315 HD12 LEU 41 2HD1 LEU 41 9.279 1.670 1.995 316 HD13 LEU 41 3HD1 LEU 41 8.419 2.639 3.190 317 HD21 LEU 41 1HD2 LEU 41 6.840 1.154 3.270 318 HD22 LEU 41 2HD2 LEU 41 6.585 0.186 1.818 319 HD23 LEU 41 3HD2 LEU 41 5.433 1.451 2.249 320 H LEU 42 HN LEU 42 4.457 5.780 1.506 321 HA LEU 42 HA LEU 42 6.001 7.914 0.370 322 HB2 LEU 42 2HB LEU 42 3.052 7.453 0.719 323 HB3 LEU 42 3HB LEU 42 3.701 8.930 0.011 324 HG LEU 42 HG LEU 42 4.911 7.069 -1.534 325 HD11 LEU 42 1HD1 LEU 42 3.960 5.099 -0.854 326 HD12 LEU 42 2HD1 LEU 42 2.837 5.579 -2.127 327 HD13 LEU 42 3HD1 LEU 42 2.423 5.857 -0.436 328 HD21 LEU 42 1HD2 LEU 42 3.177 7.581 -3.201 329 HD22 LEU 42 2HD2 LEU 42 3.723 9.021 -2.339 330 HD23 LEU 42 3HD2 LEU 42 2.176 8.279 -1.927 331 H ILE 43 HN ILE 43 3.372 8.009 2.781 332 HA ILE 43 HA ILE 43 3.578 10.509 3.736 333 HB ILE 43 HB ILE 43 2.621 8.041 4.804 334 HG12 ILE 43 2HG1 ILE 43 1.191 9.699 6.144 335 HG13 ILE 43 3HG1 ILE 43 2.084 10.964 5.308 336 HG21 ILE 43 1HG2 ILE 43 4.043 9.797 6.798 337 HG22 ILE 43 2HG2 ILE 43 2.904 8.519 7.214 338 HG23 ILE 43 3HG2 ILE 43 4.420 8.119 6.408 339 HD11 ILE 43 1HD1 ILE 43 0.826 10.750 3.500 340 HD12 ILE 43 2HD1 ILE 43 1.071 9.005 3.454 341 HD13 ILE 43 3HD1 ILE 43 -0.218 9.687 4.444 342 H LYS 44 HN LYS 44 5.926 7.983 4.184 343 HA LYS 44 HA LYS 44 7.391 9.293 6.267 344 HB2 LYS 44 2HB LYS 44 7.529 6.795 4.815 345 HB3 LYS 44 3HB LYS 44 9.123 7.527 4.946 346 HG2 LYS 44 2HG LYS 44 8.564 5.949 6.781 347 HG3 LYS 44 3HG LYS 44 8.986 7.574 7.328 348 HD2 LYS 44 2HD LYS 44 7.106 7.408 8.550 349 HD3 LYS 44 3HD LYS 44 6.291 7.791 7.033 350 HE2 LYS 44 2HE LYS 44 5.207 5.859 7.219 351 HE3 LYS 44 3HE LYS 44 6.743 5.039 6.945 352 HZ1 LYS 44 1HZ LYS 44 5.948 4.160 8.933 353 HZ2 LYS 44 2HZ LYS 44 5.425 5.658 9.517 354 HZ3 LYS 44 3HZ LYS 44 7.079 5.312 9.438 355 H GLU 45 HN GLU 45 7.753 8.992 2.755 356 HA GLU 45 HA GLU 45 10.141 10.597 2.705 357 HB2 GLU 45 2HB GLU 45 9.060 8.758 0.995 358 HB3 GLU 45 3HB GLU 45 8.659 10.266 0.187 359 HG2 GLU 45 2HG GLU 45 10.713 10.403 -0.607 360 HG3 GLU 45 3HG GLU 45 11.360 10.420 1.033 361 H GLY 46 HN GLY 46 6.822 11.046 1.471 362 HA2 GLY 46 1HA GLY 46 5.632 12.953 0.999 363 HA3 GLY 46 2HA GLY 46 6.465 13.639 2.386 364 H LEU 47 HN LEU 47 7.261 12.759 -0.979 365 HA LEU 47 HA LEU 47 9.020 15.067 -1.160 366 HB2 LEU 47 2HB LEU 47 9.586 14.167 -3.381 367 HB3 LEU 47 3HB LEU 47 9.837 13.006 -2.079 368 HG LEU 47 HG LEU 47 7.301 12.934 -3.662 369 HD11 LEU 47 1HD1 LEU 47 9.633 11.308 -4.542 370 HD12 LEU 47 2HD1 LEU 47 9.496 12.975 -5.101 371 HD13 LEU 47 3HD1 LEU 47 8.208 11.822 -5.445 372 HD21 LEU 47 1HD2 LEU 47 8.620 11.341 -1.659 373 HD22 LEU 47 2HD2 LEU 47 8.312 10.387 -3.110 374 HD23 LEU 47 3HD2 LEU 47 6.981 11.210 -2.297 375 H GLU 48 HN GLU 48 5.905 13.989 -2.312 376 HA GLU 48 HA GLU 48 4.756 16.397 -2.752 377 HB2 GLU 48 2HB GLU 48 4.977 16.529 -5.341 378 HB3 GLU 48 3HB GLU 48 6.251 17.200 -4.333 379 HG2 GLU 48 2HG GLU 48 7.764 15.642 -4.957 380 HG3 GLU 48 3HG GLU 48 6.552 14.376 -5.144 381 H THR 49 HN THR 49 5.140 13.111 -3.681 382 HA THR 49 HA THR 49 3.190 12.433 -5.375 383 HB THR 49 HB THR 49 3.742 11.105 -2.718 384 HG1 THR 49 1HG THR 49 4.768 9.602 -4.350 385 HG21 THR 49 1HG2 THR 49 2.774 9.164 -4.419 386 HG22 THR 49 2HG2 THR 49 1.711 10.536 -4.733 387 HG23 THR 49 3HG2 THR 49 1.883 9.910 -3.093 388 H ALA 50 HN ALA 50 2.678 13.746 -2.181 389 HA ALA 50 HA ALA 50 0.826 14.612 -1.174 390 HB1 ALA 50 1HB ALA 50 -1.259 14.585 -2.937 391 HB2 ALA 50 2HB ALA 50 -0.071 15.881 -2.784 392 HB3 ALA 50 3HB ALA 50 0.137 14.635 -4.014 393 H ILE 51 HN ILE 51 1.188 11.532 -2.089 394 HA ILE 51 HA ILE 51 0.018 9.564 -1.830 395 HB ILE 51 HB ILE 51 -0.516 11.002 0.771 396 HG12 ILE 51 2HG1 ILE 51 1.376 9.634 1.584 397 HG13 ILE 51 3HG1 ILE 51 1.581 8.972 -0.034 398 HG21 ILE 51 1HG2 ILE 51 -1.085 8.903 1.749 399 HG22 ILE 51 2HG2 ILE 51 -2.089 9.110 0.314 400 HG23 ILE 51 3HG2 ILE 51 -0.688 8.039 0.265 401 HD11 ILE 51 1HD1 ILE 51 3.031 10.987 0.855 402 HD12 ILE 51 2HD1 ILE 51 2.537 10.869 -0.835 403 HD13 ILE 51 3HD1 ILE 51 1.651 11.918 0.272 404 H SER 52 HN SER 52 -1.614 9.620 -3.360 405 HA SER 52 HA SER 52 -4.200 10.734 -2.529 406 HB2 SER 52 2HB SER 52 -3.176 11.362 -4.769 407 HB3 SER 52 3HB SER 52 -3.473 9.698 -5.273 408 HG SER 52 HG SER 52 -5.199 11.041 -5.874 409 H CYS 53 HN CYS 53 -6.148 9.474 -3.028 410 HA CYS 53 HA CYS 53 -6.443 7.155 -1.751 411 HB2 CYS 53 2HB CYS 53 -8.313 8.323 -2.816 412 HB3 CYS 53 3HB CYS 53 -7.755 7.798 -4.401 413 HA PRO 54 HA PRO 54 -3.931 4.107 -3.725 414 HB2 PRO 54 2HB PRO 54 -5.022 1.915 -2.555 415 HB3 PRO 54 3HB PRO 54 -3.940 3.022 -1.701 416 HG2 PRO 54 2HG PRO 54 -6.930 2.875 -1.646 417 HG3 PRO 54 3HG PRO 54 -5.797 3.108 -0.303 418 HD2 PRO 54 2HD PRO 54 -7.160 5.158 -1.431 419 HD3 PRO 54 3HD PRO 54 -5.531 5.354 -0.751 420 H ASP 55 HN ASP 55 -7.075 4.748 -4.448 421 HA ASP 55 HA ASP 55 -7.301 2.470 -6.302 422 HB2 ASP 55 2HB ASP 55 -9.167 2.573 -4.749 423 HB3 ASP 55 3HB ASP 55 -9.453 4.262 -5.159 424 H ALA 56 HN ALA 56 -6.226 3.203 -8.077 425 HA ALA 56 HA ALA 56 -6.246 5.817 -9.074 426 HB1 ALA 56 1HB ALA 56 -4.540 4.503 -9.917 427 HB2 ALA 56 2HB ALA 56 -5.616 3.152 -10.274 428 HB3 ALA 56 3HB ALA 56 -5.649 4.597 -11.286 429 H ALA 57 HN ALA 57 -8.749 3.589 -8.966 430 HA ALA 57 HA ALA 57 -10.137 4.864 -11.230 431 HB1 ALA 57 1HB ALA 57 -9.743 2.250 -10.974 432 HB2 ALA 57 2HB ALA 57 -11.219 2.384 -10.019 433 HB3 ALA 57 3HB ALA 57 -11.206 2.914 -11.700 434 H CYS 58 HN CYS 58 -9.849 5.889 -8.461 435 HA CYS 58 HA CYS 58 -12.376 5.562 -7.158 436 HB2 CYS 58 2HB CYS 58 -10.289 6.126 -5.940 437 HB3 CYS 58 3HB CYS 58 -10.273 7.696 -6.738 438 HA PRO 59 HA PRO 59 -14.701 8.454 -9.556 439 HB2 PRO 59 2HB PRO 59 -16.786 8.749 -7.842 440 HB3 PRO 59 3HB PRO 59 -16.558 7.307 -8.839 441 HG2 PRO 59 2HG PRO 59 -15.879 7.745 -5.957 442 HG3 PRO 59 3HG PRO 59 -16.627 6.334 -6.729 443 HD2 PRO 59 2HD PRO 59 -14.002 6.413 -6.071 444 HD3 PRO 59 3HD PRO 59 -14.606 5.514 -7.477 445 H LYS 60 HN LYS 60 -13.265 9.090 -6.543 446 HA LYS 60 HA LYS 60 -13.832 11.966 -6.844 447 HB2 LYS 60 2HB LYS 60 -13.488 10.402 -4.281 448 HB3 LYS 60 3HB LYS 60 -13.594 12.154 -4.373 449 HG2 LYS 60 2HG LYS 60 -15.810 10.952 -5.748 450 HG3 LYS 60 3HG LYS 60 -15.690 10.330 -4.100 451 HD2 LYS 60 2HD LYS 60 -15.951 12.438 -3.153 452 HD3 LYS 60 3HD LYS 60 -15.475 13.270 -4.635 453 HE2 LYS 60 2HE LYS 60 -17.640 12.058 -5.566 454 HE3 LYS 60 3HE LYS 60 -18.094 12.094 -3.863 455 HZ1 LYS 60 1HZ LYS 60 -18.935 14.066 -4.715 456 HZ2 LYS 60 2HZ LYS 60 -17.577 14.363 -5.678 457 HZ3 LYS 60 3HZ LYS 60 -17.482 14.557 -4.001 458 H GLN 61 HN GLN 61 -11.511 9.488 -6.603 459 HA GLN 61 HA GLN 61 -9.234 9.496 -6.181 460 HB2 GLN 61 2HB GLN 61 -9.827 11.486 -8.337 461 HB3 GLN 61 3HB GLN 61 -8.166 11.259 -7.805 462 HG2 GLN 61 2HG GLN 61 -8.806 8.710 -8.180 463 HG3 GLN 61 3HG GLN 61 -9.945 9.438 -9.311 464 HE21 GLN 61 1HE2 GLN 61 -8.794 8.414 -11.007 465 HE22 GLN 61 2HE2 GLN 61 -7.308 9.074 -11.591 466 H GLY 62 HN GLY 62 -10.215 10.672 -4.014 467 HA2 GLY 62 1HA GLY 62 -9.340 13.355 -3.603 468 HA3 GLY 62 2HA GLY 62 -9.838 12.223 -2.355 469 H HIS 63 HN HIS 63 -7.848 13.840 -1.684 470 HA HIS 63 HA HIS 63 -5.387 12.262 -2.036 471 HB2 HIS 63 2HB HIS 63 -5.811 15.190 -1.452 472 HB3 HIS 63 3HB HIS 63 -4.252 14.401 -1.227 473 HD1 HIS 63 1HD HIS 63 -6.166 16.185 -3.684 474 HD2 HIS 63 2HD HIS 63 -3.335 13.145 -3.778 475 HE1 HIS 63 1HE HIS 63 -5.292 16.151 -6.043 476 H LEU 64 HN LEU 64 -3.889 12.343 -0.119 477 HA LEU 64 HA LEU 64 -5.445 12.143 2.376 478 HB2 LEU 64 2HB LEU 64 -3.190 10.479 1.312 479 HB3 LEU 64 3HB LEU 64 -3.549 10.534 3.037 480 HG LEU 64 HG LEU 64 -5.713 9.819 1.105 481 HD11 LEU 64 1HD1 LEU 64 -3.359 8.154 1.856 482 HD12 LEU 64 2HD1 LEU 64 -4.232 8.251 0.326 483 HD13 LEU 64 3HD1 LEU 64 -4.941 7.389 1.692 484 HD21 LEU 64 1HD2 LEU 64 -5.861 8.228 3.338 485 HD22 LEU 64 2HD2 LEU 64 -6.752 9.727 3.080 486 HD23 LEU 64 3HD2 LEU 64 -5.234 9.746 3.979 487 H GLN 65 HN GLN 65 -4.236 12.568 4.362 488 HA GLN 65 HA GLN 65 -2.516 14.879 4.024 489 HB2 GLN 65 2HB GLN 65 -2.902 14.002 6.766 490 HB3 GLN 65 3HB GLN 65 -3.318 15.535 6.011 491 HG2 GLN 65 2HG GLN 65 -5.372 14.760 6.678 492 HG3 GLN 65 3HG GLN 65 -5.304 14.211 5.005 493 HE21 GLN 65 1HE2 GLN 65 -3.257 12.170 5.901 494 HE22 GLN 65 2HE2 GLN 65 -4.203 10.899 6.587 495 H GLU 66 HN GLU 66 -0.529 15.103 5.317 496 HA GLU 66 HA GLU 66 1.059 12.670 5.112 497 HB2 GLU 66 2HB GLU 66 1.571 15.523 4.918 498 HB3 GLU 66 3HB GLU 66 2.722 14.730 5.983 499 HG2 GLU 66 2HG GLU 66 2.518 13.068 3.753 500 HG3 GLU 66 3HG GLU 66 2.564 14.709 3.115 501 H ASN 67 HN ASN 67 -0.260 14.817 7.508 502 HA ASN 67 HA ASN 67 1.324 13.651 9.650 503 HB2 ASN 67 2HB ASN 67 -0.810 15.312 10.613 504 HB3 ASN 67 3HB ASN 67 0.927 15.597 10.680 505 HD21 ASN 67 1HD2 ASN 67 -2.013 16.188 8.938 506 HD22 ASN 67 2HD2 ASN 67 -1.403 17.450 7.928 507 H GLU 68 HN GLU 68 -2.158 14.060 8.976 508 HA GLU 68 HA GLU 68 -3.219 12.501 10.950 509 HB2 GLU 68 2HB GLU 68 -4.094 13.497 8.402 510 HB3 GLU 68 3HB GLU 68 -4.699 11.861 8.629 511 HG2 GLU 68 2HG GLU 68 -4.987 13.711 10.913 512 HG3 GLU 68 3HG GLU 68 -5.985 14.030 9.496 513 H ILE 69 HN ILE 69 -2.143 11.360 7.755 514 HA ILE 69 HA ILE 69 -2.707 8.641 8.181 515 HB ILE 69 HB ILE 69 -0.772 10.022 6.335 516 HG12 ILE 69 2HG1 ILE 69 -3.568 9.143 6.235 517 HG13 ILE 69 3HG1 ILE 69 -2.733 10.352 5.267 518 HG21 ILE 69 1HG2 ILE 69 -0.466 7.856 5.207 519 HG22 ILE 69 2HG2 ILE 69 0.178 7.854 6.848 520 HG23 ILE 69 3HG2 ILE 69 -1.364 7.071 6.506 521 HD11 ILE 69 1HD1 ILE 69 -3.583 8.546 3.888 522 HD12 ILE 69 2HD1 ILE 69 -1.820 8.590 3.854 523 HD13 ILE 69 3HD1 ILE 69 -2.653 7.378 4.827 524 H GLU 70 HN GLU 70 0.553 10.079 8.024 525 HA GLU 70 HA GLU 70 2.018 8.031 9.041 526 HB2 GLU 70 2HB GLU 70 3.727 9.533 9.370 527 HB3 GLU 70 3HB GLU 70 2.682 10.473 8.312 528 HG2 GLU 70 2HG GLU 70 1.784 11.676 10.200 529 HG3 GLU 70 3HG GLU 70 2.713 10.676 11.314 530 H CYS 71 HN CYS 71 -0.268 9.965 10.742 531 HA CYS 71 HA CYS 71 0.681 9.525 13.379 532 HB2 CYS 71 2HB CYS 71 -1.027 11.267 12.548 533 HB3 CYS 71 3HB CYS 71 -2.210 9.970 12.668 534 HG CYS 71 HG CYS 71 -1.612 12.018 14.937 535 H MET 72 HN MET 72 -1.644 7.831 11.320 536 HA MET 72 HA MET 72 -2.302 5.905 13.353 537 HB2 MET 72 2HB MET 72 -3.880 5.101 11.889 538 HB3 MET 72 3HB MET 72 -3.702 6.741 11.281 539 HG2 MET 72 2HG MET 72 -1.831 5.530 9.807 540 HG3 MET 72 3HG MET 72 -2.919 4.170 10.069 541 HE1 MET 72 1HE MET 72 -2.587 5.131 6.921 542 HE2 MET 72 2HE MET 72 -3.345 3.779 7.765 543 HE3 MET 72 3HE MET 72 -4.295 4.775 6.660 544 H VAL 73 HN VAL 73 0.473 6.347 11.837 545 HA VAL 73 HA VAL 73 1.101 3.479 11.820 546 HB VAL 73 HB VAL 73 2.783 4.303 9.889 547 HG11 VAL 73 1HG1 VAL 73 1.387 2.342 9.745 548 HG12 VAL 73 2HG1 VAL 73 -0.051 3.339 9.519 549 HG13 VAL 73 3HG1 VAL 73 1.199 3.298 8.275 550 HG21 VAL 73 1HG2 VAL 73 2.083 6.036 8.635 551 HG22 VAL 73 2HG2 VAL 73 0.378 5.640 8.851 552 HG23 VAL 73 3HG2 VAL 73 1.245 6.523 10.108 553 H ALA 74 HN ALA 74 2.906 6.465 11.107 554 HA ALA 74 HA ALA 74 5.002 5.606 12.939 555 HB1 ALA 74 1HB ALA 74 6.122 6.376 11.138 556 HB2 ALA 74 2HB ALA 74 4.822 7.468 10.661 557 HB3 ALA 74 3HB ALA 74 5.931 7.928 11.953 558 H ALA 75 HN ALA 75 2.677 6.256 14.276 559 HA ALA 75 HA ALA 75 2.127 8.753 15.133 560 HB1 ALA 75 1HB ALA 75 2.050 7.533 17.520 561 HB2 ALA 75 2HB ALA 75 0.835 7.286 16.267 562 HB3 ALA 75 3HB ALA 75 2.143 6.120 16.469 Start of MODEL 18 1 H1 ALA 1 HN ALA 1 -24.184 -16.785 -4.989 2 HA ALA 1 HA ALA 1 -24.844 -14.643 -5.384 3 HB1 ALA 1 1HB ALA 1 -27.131 -15.990 -4.353 4 HB2 ALA 1 2HB ALA 1 -27.122 -14.336 -3.737 5 HB3 ALA 1 3HB ALA 1 -27.059 -14.630 -5.476 6 H LEU 2 HN LEU 2 -25.472 -15.399 -1.954 7 HA LEU 2 HA LEU 2 -25.198 -12.945 -0.813 8 HB2 LEU 2 2HB LEU 2 -24.375 -15.669 0.100 9 HB3 LEU 2 3HB LEU 2 -24.012 -14.262 1.097 10 HG LEU 2 HG LEU 2 -26.005 -15.182 1.956 11 HD11 LEU 2 1HD1 LEU 2 -26.977 -12.986 0.149 12 HD12 LEU 2 2HD1 LEU 2 -25.939 -12.688 1.542 13 HD13 LEU 2 3HD1 LEU 2 -27.536 -13.399 1.770 14 HD21 LEU 2 1HD2 LEU 2 -27.189 -15.142 -0.814 15 HD22 LEU 2 2HD2 LEU 2 -27.915 -15.798 0.653 16 HD23 LEU 2 3HD2 LEU 2 -26.498 -16.576 -0.054 17 H ASP 3 HN ASP 3 -23.305 -12.139 0.533 18 HA ASP 3 HA ASP 3 -20.649 -12.738 -0.191 19 HB2 ASP 3 2HB ASP 3 -21.296 -11.741 -2.341 20 HB3 ASP 3 3HB ASP 3 -21.807 -10.273 -1.510 21 HA PRO 4 HA PRO 4 -21.321 -10.239 3.647 22 HB2 PRO 4 2HB PRO 4 -19.848 -11.873 5.237 23 HB3 PRO 4 3HB PRO 4 -21.562 -12.146 4.905 24 HG2 PRO 4 2HG PRO 4 -19.163 -13.430 3.657 25 HG3 PRO 4 3HG PRO 4 -20.682 -14.175 4.188 26 HD2 PRO 4 2HD PRO 4 -20.174 -13.595 1.593 27 HD3 PRO 4 3HD PRO 4 -21.808 -13.536 2.282 28 H LEU 5 HN LEU 5 -18.325 -11.900 4.182 29 HA LEU 5 HA LEU 5 -16.774 -9.722 4.716 30 HB2 LEU 5 2HB LEU 5 -16.240 -12.486 3.857 31 HB3 LEU 5 3HB LEU 5 -14.918 -11.348 3.605 32 HG LEU 5 HG LEU 5 -14.844 -10.848 5.966 33 HD11 LEU 5 1HD1 LEU 5 -17.383 -11.232 6.202 34 HD12 LEU 5 2HD1 LEU 5 -16.333 -11.638 7.558 35 HD13 LEU 5 3HD1 LEU 5 -16.942 -12.912 6.503 36 HD21 LEU 5 1HD2 LEU 5 -14.476 -13.514 4.885 37 HD22 LEU 5 2HD2 LEU 5 -14.772 -13.534 6.623 38 HD23 LEU 5 3HD2 LEU 5 -13.442 -12.579 5.965 39 H VAL 6 HN VAL 6 -15.888 -8.105 3.602 40 HA VAL 6 HA VAL 6 -14.649 -8.059 1.207 41 HB VAL 6 HB VAL 6 -17.533 -8.335 0.797 42 HG11 VAL 6 1HG1 VAL 6 -17.446 -6.778 -1.220 43 HG12 VAL 6 2HG1 VAL 6 -17.608 -6.026 0.369 44 HG13 VAL 6 3HG1 VAL 6 -16.043 -6.042 -0.446 45 HG21 VAL 6 1HG2 VAL 6 -15.902 -8.407 -1.569 46 HG22 VAL 6 2HG2 VAL 6 -15.137 -9.321 -0.267 47 HG23 VAL 6 3HG2 VAL 6 -16.780 -9.714 -0.776 48 H SER 7 HN SER 7 -13.929 -6.032 0.702 49 HA SER 7 HA SER 7 -15.238 -3.618 1.176 50 HB2 SER 7 2HB SER 7 -14.070 -4.796 3.553 51 HB3 SER 7 3HB SER 7 -13.325 -3.240 3.187 52 HG SER 7 HG SER 7 -15.623 -3.639 4.353 53 H CYS 8 HN CYS 8 -11.933 -4.206 2.253 54 HA CYS 8 HA CYS 8 -10.724 -2.242 0.767 55 HB2 CYS 8 2HB CYS 8 -9.694 -3.648 2.605 56 HB3 CYS 8 3HB CYS 8 -9.410 -4.889 1.388 57 H LYS 9 HN LYS 9 -9.343 -2.331 -1.120 58 HA LYS 9 HA LYS 9 -10.217 -4.351 -3.081 59 HB2 LYS 9 2HB LYS 9 -9.360 -1.624 -3.955 60 HB3 LYS 9 3HB LYS 9 -10.458 -2.754 -4.738 61 HG2 LYS 9 2HG LYS 9 -11.690 -2.099 -2.325 62 HG3 LYS 9 3HG LYS 9 -11.035 -0.582 -2.946 63 HD2 LYS 9 2HD LYS 9 -12.276 -0.721 -4.923 64 HD3 LYS 9 3HD LYS 9 -12.589 -2.445 -4.711 65 HE2 LYS 9 2HE LYS 9 -14.104 -2.017 -2.913 66 HE3 LYS 9 3HE LYS 9 -13.659 -0.312 -2.873 67 HZ1 LYS 9 1HZ LYS 9 -14.624 -1.214 -5.433 68 HZ2 LYS 9 2HZ LYS 9 -15.041 0.163 -4.546 69 HZ3 LYS 9 3HZ LYS 9 -15.775 -1.321 -4.198 70 H LEU 10 HN LEU 10 -7.605 -2.449 -1.774 71 HA LEU 10 HA LEU 10 -5.601 -2.876 -3.632 72 HB2 LEU 10 2HB LEU 10 -5.580 -2.578 -0.654 73 HB3 LEU 10 3HB LEU 10 -4.084 -2.874 -1.536 74 HG LEU 10 HG LEU 10 -5.854 -0.584 -2.299 75 HD11 LEU 10 1HD1 LEU 10 -3.637 -0.115 -0.387 76 HD12 LEU 10 2HD1 LEU 10 -5.153 -0.746 0.254 77 HD13 LEU 10 3HD1 LEU 10 -5.138 0.781 -0.629 78 HD21 LEU 10 1HD2 LEU 10 -3.279 -1.611 -3.047 79 HD22 LEU 10 2HD2 LEU 10 -3.122 0.032 -2.424 80 HD23 LEU 10 3HD2 LEU 10 -4.215 -0.302 -3.769 81 H CYS 11 HN CYS 11 -6.390 -4.899 -0.805 82 HA CYS 11 HA CYS 11 -4.753 -7.050 -1.937 83 HB2 CYS 11 2HB CYS 11 -4.904 -8.093 0.267 84 HB3 CYS 11 3HB CYS 11 -4.338 -6.432 0.412 85 H LEU 12 HN LEU 12 -7.816 -6.037 -2.217 86 HA LEU 12 HA LEU 12 -9.852 -6.997 -2.618 87 HB2 LEU 12 2HB LEU 12 -7.899 -8.908 -3.859 88 HB3 LEU 12 3HB LEU 12 -9.640 -9.139 -4.003 89 HG LEU 12 HG LEU 12 -8.518 -6.511 -4.821 90 HD11 LEU 12 1HD1 LEU 12 -7.406 -7.209 -6.638 91 HD12 LEU 12 2HD1 LEU 12 -8.530 -8.534 -6.943 92 HD13 LEU 12 3HD1 LEU 12 -7.246 -8.725 -5.749 93 HD21 LEU 12 1HD2 LEU 12 -10.986 -7.344 -4.817 94 HD22 LEU 12 2HD2 LEU 12 -10.514 -8.170 -6.302 95 HD23 LEU 12 3HD2 LEU 12 -10.374 -6.414 -6.184 96 H GLY 13 HN GLY 13 -9.209 -7.408 -0.016 97 HA2 GLY 13 1HA GLY 13 -9.736 -10.253 0.511 98 HA3 GLY 13 2HA GLY 13 -9.121 -9.095 1.681 99 H GLU 14 HN GLU 14 -10.521 -8.088 3.006 100 HA GLU 14 HA GLU 14 -13.182 -7.456 2.443 101 HB2 GLU 14 2HB GLU 14 -14.092 -9.245 4.176 102 HB3 GLU 14 3HB GLU 14 -13.988 -9.596 2.457 103 HG2 GLU 14 2HG GLU 14 -11.565 -10.228 3.971 104 HG3 GLU 14 3HG GLU 14 -12.987 -11.161 4.433 105 H TYR 15 HN TYR 15 -12.194 -9.072 5.418 106 HA TYR 15 HA TYR 15 -11.948 -8.324 7.553 107 HB2 TYR 15 2HB TYR 15 -11.086 -5.673 6.412 108 HB3 TYR 15 3HB TYR 15 -10.569 -6.436 7.910 109 HD1 TYR 15 1HD TYR 15 -10.257 -6.531 4.235 110 HD2 TYR 15 2HD TYR 15 -8.773 -8.007 7.939 111 HE1 TYR 15 1HE TYR 15 -8.313 -7.484 3.069 112 HE2 TYR 15 2HE TYR 15 -6.824 -8.963 6.785 113 HH TYR 15 HH TYR 15 -6.027 -9.565 4.707 114 HA PRO 16 HA PRO 16 -15.640 -6.226 8.670 115 HB2 PRO 16 2HB PRO 16 -15.019 -5.420 11.187 116 HB3 PRO 16 3HB PRO 16 -15.350 -7.105 10.773 117 HG2 PRO 16 2HG PRO 16 -12.719 -5.725 11.131 118 HG3 PRO 16 3HG PRO 16 -13.228 -7.325 11.700 119 HD2 PRO 16 2HD PRO 16 -11.696 -6.983 9.494 120 HD3 PRO 16 3HD PRO 16 -12.868 -8.308 9.646 121 H VAL 17 HN VAL 17 -16.123 -4.073 10.161 122 HA VAL 17 HA VAL 17 -15.039 -1.908 8.548 123 HB VAL 17 HB VAL 17 -17.422 -2.260 10.277 124 HG11 VAL 17 1HG1 VAL 17 -17.763 0.180 10.440 125 HG12 VAL 17 2HG1 VAL 17 -16.381 -0.380 11.383 126 HG13 VAL 17 3HG1 VAL 17 -16.125 0.426 9.834 127 HG21 VAL 17 1HG2 VAL 17 -18.544 -1.203 8.451 128 HG22 VAL 17 2HG2 VAL 17 -17.017 -0.664 7.751 129 HG23 VAL 17 3HG2 VAL 17 -17.419 -2.381 7.777 130 H GLU 18 HN GLU 18 -14.412 -3.351 11.529 131 HA GLU 18 HA GLU 18 -13.358 -0.905 12.734 132 HB2 GLU 18 2HB GLU 18 -14.189 -3.550 13.724 133 HB3 GLU 18 3HB GLU 18 -12.748 -2.900 14.494 134 HG2 GLU 18 2HG GLU 18 -14.438 -2.128 15.853 135 HG3 GLU 18 3HG GLU 18 -14.148 -0.754 14.786 136 H GLN 19 HN GLN 19 -12.314 -3.227 10.637 137 HA GLN 19 HA GLN 19 -9.537 -3.109 11.604 138 HB2 GLN 19 2HB GLN 19 -11.056 -5.115 9.989 139 HB3 GLN 19 3HB GLN 19 -9.318 -4.975 9.757 140 HG2 GLN 19 2HG GLN 19 -8.877 -5.559 12.006 141 HG3 GLN 19 3HG GLN 19 -10.574 -5.390 12.452 142 HE21 GLN 19 1HE2 GLN 19 -9.197 -6.980 9.624 143 HE22 GLN 19 2HE2 GLN 19 -9.781 -8.561 10.003 144 H MET 20 HN MET 20 -11.387 -1.335 9.743 145 HA MET 20 HA MET 20 -9.317 -0.946 7.682 146 HB2 MET 20 2HB MET 20 -11.943 0.112 6.989 147 HB3 MET 20 3HB MET 20 -10.858 -0.906 6.049 148 HG2 MET 20 2HG MET 20 -11.702 -2.769 7.687 149 HG3 MET 20 3HG MET 20 -13.064 -1.671 7.887 150 HE1 MET 20 1HE MET 20 -10.641 -2.884 5.399 151 HE2 MET 20 2HE MET 20 -11.571 -3.999 4.399 152 HE3 MET 20 3HE MET 20 -11.416 -2.307 3.924 153 H THR 21 HN THR 21 -9.507 1.348 6.711 154 HA THR 21 HA THR 21 -10.205 3.331 8.752 155 HB THR 21 HB THR 21 -7.488 3.047 7.468 156 HG1 THR 21 1HG THR 21 -8.242 2.074 9.630 157 HG21 THR 21 1HG2 THR 21 -8.247 5.391 7.319 158 HG22 THR 21 2HG2 THR 21 -6.898 5.196 8.437 159 HG23 THR 21 3HG2 THR 21 -8.537 5.391 9.058 160 H THR 22 HN THR 22 -11.099 5.135 7.939 161 HA THR 22 HA THR 22 -11.839 5.257 5.216 162 HB THR 22 HB THR 22 -11.920 7.467 7.280 163 HG1 THR 22 1HG THR 22 -13.855 6.657 7.852 164 HG21 THR 22 1HG2 THR 22 -12.207 8.481 5.167 165 HG22 THR 22 2HG2 THR 22 -13.839 8.246 5.793 166 HG23 THR 22 3HG2 THR 22 -13.196 7.147 4.574 167 H ILE 23 HN ILE 23 -11.358 7.003 3.707 168 HA ILE 23 HA ILE 23 -8.536 7.427 3.475 169 HB ILE 23 HB ILE 23 -10.859 8.402 1.816 170 HG12 ILE 23 2HG1 ILE 23 -10.466 6.020 1.633 171 HG13 ILE 23 3HG1 ILE 23 -9.911 6.802 0.157 172 HG21 ILE 23 1HG2 ILE 23 -9.532 9.888 0.843 173 HG22 ILE 23 2HG2 ILE 23 -8.212 9.437 1.921 174 HG23 ILE 23 3HG2 ILE 23 -8.424 8.594 0.386 175 HD11 ILE 23 1HD1 ILE 23 -8.257 5.248 0.656 176 HD12 ILE 23 2HD1 ILE 23 -7.598 6.776 1.240 177 HD13 ILE 23 3HD1 ILE 23 -8.291 5.623 2.378 178 H ALA 24 HN ALA 24 -10.876 9.987 2.864 179 HA ALA 24 HA ALA 24 -10.663 11.643 4.984 180 HB1 ALA 24 1HB ALA 24 -8.119 11.603 3.462 181 HB2 ALA 24 2HB ALA 24 -8.704 13.164 4.036 182 HB3 ALA 24 3HB ALA 24 -8.408 11.858 5.183 183 H GLN 25 HN GLN 25 -10.350 11.475 1.492 184 HA GLN 25 HA GLN 25 -11.949 13.938 1.264 185 HB2 GLN 25 2HB GLN 25 -9.697 12.862 -0.277 186 HB3 GLN 25 3HB GLN 25 -11.034 13.422 -1.273 187 HG2 GLN 25 2HG GLN 25 -9.692 15.067 0.860 188 HG3 GLN 25 3HG GLN 25 -9.299 15.136 -0.857 189 HE21 GLN 25 1HE2 GLN 25 -11.127 16.466 1.570 190 HE22 GLN 25 2HE2 GLN 25 -12.292 17.306 0.609 191 H CYS 26 HN CYS 26 -11.463 10.793 -0.345 192 HA CYS 26 HA CYS 26 -14.090 10.917 -1.545 193 HB2 CYS 26 2HB CYS 26 -13.493 8.679 -2.460 194 HB3 CYS 26 3HB CYS 26 -12.308 9.925 -2.841 195 H GLN 27 HN GLN 27 -12.549 9.375 1.183 196 HA GLN 27 HA GLN 27 -13.470 8.392 3.032 197 HB2 GLN 27 2HB GLN 27 -16.191 8.544 1.761 198 HB3 GLN 27 3HB GLN 27 -15.782 8.515 3.471 199 HG2 GLN 27 2HG GLN 27 -14.810 10.791 1.829 200 HG3 GLN 27 3HG GLN 27 -16.519 10.730 2.258 201 HE21 GLN 27 1HE2 GLN 27 -13.258 10.895 3.502 202 HE22 GLN 27 2HE2 GLN 27 -13.678 11.497 5.067 203 H CYS 28 HN CYS 28 -12.318 6.833 1.154 204 HA CYS 28 HA CYS 28 -14.102 4.651 0.463 205 HB2 CYS 28 2HB CYS 28 -11.186 5.208 -0.047 206 HB3 CYS 28 3HB CYS 28 -11.905 3.644 -0.415 207 H ILE 29 HN ILE 29 -12.872 2.379 0.803 208 HA ILE 29 HA ILE 29 -12.153 2.232 3.657 209 HB ILE 29 HB ILE 29 -14.491 1.285 2.724 210 HG12 ILE 29 2HG1 ILE 29 -14.367 -0.358 4.675 211 HG13 ILE 29 3HG1 ILE 29 -12.701 0.169 4.883 212 HG21 ILE 29 1HG2 ILE 29 -12.626 -1.078 2.567 213 HG22 ILE 29 2HG2 ILE 29 -14.374 -1.092 2.339 214 HG23 ILE 29 3HG2 ILE 29 -13.340 -0.262 1.176 215 HD11 ILE 29 1HD1 ILE 29 -13.806 1.505 6.378 216 HD12 ILE 29 2HD1 ILE 29 -13.762 2.544 4.954 217 HD13 ILE 29 3HD1 ILE 29 -15.234 1.658 5.353 218 H PHE 30 HN PHE 30 -10.263 1.297 4.058 219 HA PHE 30 HA PHE 30 -9.274 -0.854 2.392 220 HB2 PHE 30 2HB PHE 30 -7.750 1.745 2.662 221 HB3 PHE 30 3HB PHE 30 -7.095 0.261 1.977 222 HD1 PHE 30 1HD PHE 30 -8.129 -0.667 -0.114 223 HD2 PHE 30 2HD PHE 30 -9.030 3.221 1.367 224 HE1 PHE 30 1HE PHE 30 -8.992 -0.026 -2.328 225 HE2 PHE 30 2HE PHE 30 -9.895 3.866 -0.844 226 HZ PHE 30 HZ PHE 30 -9.877 2.242 -2.695 227 H CYS 31 HN CYS 31 -8.272 -2.318 3.613 228 HA CYS 31 HA CYS 31 -8.095 -2.119 6.384 229 HB2 CYS 31 2HB CYS 31 -6.990 -4.219 6.345 230 HB3 CYS 31 3HB CYS 31 -8.086 -4.229 4.967 231 H THR 32 HN THR 32 -6.693 -1.186 7.717 232 HA THR 32 HA THR 32 -4.834 0.643 7.190 233 HB THR 32 HB THR 32 -4.138 -1.408 9.276 234 HG1 THR 32 1HG THR 32 -6.165 0.588 9.496 235 HG21 THR 32 1HG2 THR 32 -2.709 0.622 8.872 236 HG22 THR 32 2HG2 THR 32 -3.340 0.473 10.513 237 HG23 THR 32 3HG2 THR 32 -4.081 1.605 9.383 238 H LEU 33 HN LEU 33 -4.148 -2.842 7.238 239 HA LEU 33 HA LEU 33 -1.473 -2.955 6.881 240 HB2 LEU 33 2HB LEU 33 -3.721 -4.556 5.794 241 HB3 LEU 33 3HB LEU 33 -2.121 -4.831 5.108 242 HG LEU 33 HG LEU 33 -3.120 -6.176 7.224 243 HD11 LEU 33 1HD1 LEU 33 -1.047 -7.135 7.366 244 HD12 LEU 33 2HD1 LEU 33 -0.200 -5.595 7.229 245 HD13 LEU 33 3HD1 LEU 33 -0.919 -6.334 5.800 246 HD21 LEU 33 1HD2 LEU 33 -3.068 -3.976 8.509 247 HD22 LEU 33 2HD2 LEU 33 -1.312 -4.138 8.492 248 HD23 LEU 33 3HD2 LEU 33 -2.304 -5.370 9.273 249 H CYS 34 HN CYS 34 -3.680 -2.892 4.076 250 HA CYS 34 HA CYS 34 -1.653 -2.266 2.216 251 HB2 CYS 34 2HB CYS 34 -4.610 -1.706 1.925 252 HB3 CYS 34 3HB CYS 34 -3.436 -1.922 0.629 253 H LEU 35 HN LEU 35 -4.308 -0.195 3.405 254 HA LEU 35 HA LEU 35 -3.514 2.190 2.292 255 HB2 LEU 35 2HB LEU 35 -5.599 1.620 3.673 256 HB3 LEU 35 3HB LEU 35 -4.621 2.042 5.078 257 HG LEU 35 HG LEU 35 -4.290 4.308 4.032 258 HD11 LEU 35 1HD1 LEU 35 -6.439 3.286 2.182 259 HD12 LEU 35 2HD1 LEU 35 -4.806 3.784 1.739 260 HD13 LEU 35 3HD1 LEU 35 -5.960 4.977 2.338 261 HD21 LEU 35 1HD2 LEU 35 -6.327 5.159 4.873 262 HD22 LEU 35 2HD2 LEU 35 -5.970 3.717 5.826 263 HD23 LEU 35 3HD2 LEU 35 -7.181 3.651 4.543 264 H LYS 36 HN LYS 36 -1.956 0.406 4.748 265 HA LYS 36 HA LYS 36 -0.464 2.699 5.754 266 HB2 LYS 36 2HB LYS 36 -1.151 1.115 7.422 267 HB3 LYS 36 3HB LYS 36 -0.471 -0.225 6.509 268 HG2 LYS 36 2HG LYS 36 1.503 1.815 7.124 269 HG3 LYS 36 3HG LYS 36 0.749 1.134 8.568 270 HD2 LYS 36 2HD LYS 36 1.200 -1.118 7.149 271 HD3 LYS 36 3HD LYS 36 2.545 -0.119 6.592 272 HE2 LYS 36 2HE LYS 36 2.379 0.217 9.385 273 HE3 LYS 36 3HE LYS 36 2.229 -1.511 9.075 274 HZ1 LYS 36 1HZ LYS 36 4.400 -1.595 8.742 275 HZ2 LYS 36 2HZ LYS 36 4.541 0.068 9.014 276 HZ3 LYS 36 3HZ LYS 36 4.270 -0.512 7.449 277 H GLN 37 HN GLN 37 0.341 -0.501 4.391 278 HA GLN 37 HA GLN 37 3.047 -0.002 3.951 279 HB2 GLN 37 2HB GLN 37 1.090 -2.002 3.122 280 HB3 GLN 37 3HB GLN 37 2.335 -1.727 1.910 281 HG2 GLN 37 2HG GLN 37 3.914 -2.733 3.127 282 HG3 GLN 37 3HG GLN 37 3.363 -1.999 4.631 283 HE21 GLN 37 1HE2 GLN 37 2.994 -3.557 6.036 284 HE22 GLN 37 2HE2 GLN 37 2.130 -5.020 5.727 285 H TYR 38 HN TYR 38 0.377 1.383 2.443 286 HA TYR 38 HA TYR 38 1.778 1.930 -0.058 287 HB2 TYR 38 2HB TYR 38 -0.330 1.724 -0.807 288 HB3 TYR 38 3HB TYR 38 -1.003 1.884 0.810 289 HD1 TYR 38 1HD TYR 38 -2.658 3.489 0.822 290 HD2 TYR 38 2HD TYR 38 0.885 4.225 -1.413 291 HE1 TYR 38 1HE TYR 38 -3.488 5.734 0.258 292 HE2 TYR 38 2HE TYR 38 0.066 6.473 -1.982 293 HH TYR 38 HH TYR 38 -2.154 7.632 -2.162 294 H VAL 39 HN VAL 39 0.289 3.711 2.634 295 HA VAL 39 HA VAL 39 1.379 6.226 1.721 296 HB VAL 39 HB VAL 39 0.317 7.219 3.641 297 HG11 VAL 39 1HG1 VAL 39 -1.909 5.477 3.184 298 HG12 VAL 39 2HG1 VAL 39 -1.636 7.115 2.589 299 HG13 VAL 39 3HG1 VAL 39 -1.034 5.732 1.674 300 HG21 VAL 39 1HG2 VAL 39 0.821 5.697 5.385 301 HG22 VAL 39 2HG2 VAL 39 -0.936 5.736 5.255 302 HG23 VAL 39 3HG2 VAL 39 -0.033 4.381 4.580 303 H GLU 40 HN GLU 40 1.849 4.118 4.555 304 HA GLU 40 HA GLU 40 3.662 5.380 6.049 305 HB2 GLU 40 2HB GLU 40 2.867 2.915 6.143 306 HB3 GLU 40 3HB GLU 40 4.304 2.574 5.187 307 HG2 GLU 40 2HG GLU 40 5.044 4.220 7.387 308 HG3 GLU 40 3HG GLU 40 4.084 2.869 7.983 309 H LEU 41 HN LEU 41 4.369 3.898 2.921 310 HA LEU 41 HA LEU 41 7.164 4.428 2.994 311 HB2 LEU 41 2HB LEU 41 5.213 3.633 0.874 312 HB3 LEU 41 3HB LEU 41 6.842 4.132 0.424 313 HG LEU 41 HG LEU 41 6.701 1.720 0.526 314 HD11 LEU 41 1HD1 LEU 41 8.208 2.453 2.997 315 HD12 LEU 41 2HD1 LEU 41 8.716 3.091 1.434 316 HD13 LEU 41 3HD1 LEU 41 8.652 1.348 1.695 317 HD21 LEU 41 1HD2 LEU 41 5.784 0.516 2.209 318 HD22 LEU 41 2HD2 LEU 41 4.864 2.002 2.447 319 HD23 LEU 41 3HD2 LEU 41 6.275 1.667 3.452 320 H LEU 42 HN LEU 42 4.397 6.075 1.507 321 HA LEU 42 HA LEU 42 6.012 8.176 0.406 322 HB2 LEU 42 2HB LEU 42 3.028 7.993 0.795 323 HB3 LEU 42 3HB LEU 42 3.861 9.229 -0.146 324 HG LEU 42 HG LEU 42 4.170 6.339 -0.860 325 HD11 LEU 42 1HD1 LEU 42 2.253 6.542 -2.369 326 HD12 LEU 42 2HD1 LEU 42 1.880 8.120 -1.679 327 HD13 LEU 42 3HD1 LEU 42 1.771 6.673 -0.677 328 HD21 LEU 42 1HD2 LEU 42 4.140 8.859 -2.516 329 HD22 LEU 42 2HD2 LEU 42 4.563 7.237 -3.064 330 HD23 LEU 42 3HD2 LEU 42 5.595 8.072 -1.902 331 H ILE 43 HN ILE 43 3.450 8.197 2.893 332 HA ILE 43 HA ILE 43 3.599 10.695 3.864 333 HB ILE 43 HB ILE 43 2.837 8.160 4.973 334 HG12 ILE 43 2HG1 ILE 43 1.286 9.685 6.284 335 HG13 ILE 43 3HG1 ILE 43 2.098 11.040 5.507 336 HG21 ILE 43 1HG2 ILE 43 4.156 10.067 6.901 337 HG22 ILE 43 2HG2 ILE 43 3.158 8.688 7.359 338 HG23 ILE 43 3HG2 ILE 43 4.683 8.429 6.514 339 HD11 ILE 43 1HD1 ILE 43 -0.116 9.739 4.567 340 HD12 ILE 43 2HD1 ILE 43 0.957 10.768 3.618 341 HD13 ILE 43 3HD1 ILE 43 1.188 9.020 3.622 342 H LYS 44 HN LYS 44 6.073 8.270 4.157 343 HA LYS 44 HA LYS 44 7.584 9.690 6.156 344 HB2 LYS 44 2HB LYS 44 7.685 7.109 4.863 345 HB3 LYS 44 3HB LYS 44 9.275 7.861 4.859 346 HG2 LYS 44 2HG LYS 44 8.901 6.425 6.818 347 HG3 LYS 44 3HG LYS 44 9.219 8.106 7.255 348 HD2 LYS 44 2HD LYS 44 7.421 7.709 8.603 349 HD3 LYS 44 3HD LYS 44 6.572 8.241 7.149 350 HE2 LYS 44 2HE LYS 44 5.508 6.296 7.064 351 HE3 LYS 44 3HE LYS 44 7.052 5.459 6.899 352 HZ1 LYS 44 1HZ LYS 44 6.886 6.052 9.557 353 HZ2 LYS 44 2HZ LYS 44 6.584 4.545 8.853 354 HZ3 LYS 44 3HZ LYS 44 5.304 5.609 9.155 355 H GLU 45 HN GLU 45 7.786 9.195 2.655 356 HA GLU 45 HA GLU 45 10.203 10.636 2.301 357 HB2 GLU 45 2HB GLU 45 8.686 9.031 0.708 358 HB3 GLU 45 3HB GLU 45 8.300 10.614 0.049 359 HG2 GLU 45 2HG GLU 45 10.506 11.031 -0.571 360 HG3 GLU 45 3HG GLU 45 11.138 9.768 0.486 361 H GLY 46 HN GLY 46 6.981 11.584 1.099 362 HA2 GLY 46 1HA GLY 46 5.886 13.633 1.443 363 HA3 GLY 46 2HA GLY 46 7.343 14.260 2.200 364 H LEU 47 HN LEU 47 8.823 13.094 -0.240 365 HA LEU 47 HA LEU 47 9.394 15.347 -1.615 366 HB2 LEU 47 2HB LEU 47 10.359 14.042 -3.248 367 HB3 LEU 47 3HB LEU 47 10.289 12.935 -1.878 368 HG LEU 47 HG LEU 47 8.230 12.956 -4.075 369 HD11 LEU 47 1HD1 LEU 47 10.270 10.827 -3.983 370 HD12 LEU 47 2HD1 LEU 47 10.800 12.398 -4.583 371 HD13 LEU 47 3HD1 LEU 47 9.455 11.564 -5.361 372 HD21 LEU 47 1HD2 LEU 47 8.825 10.508 -2.587 373 HD22 LEU 47 2HD2 LEU 47 7.273 11.234 -3.010 374 HD23 LEU 47 3HD2 LEU 47 8.162 11.811 -1.600 375 H GLU 48 HN GLU 48 6.726 13.127 -2.363 376 HA GLU 48 HA GLU 48 5.000 15.153 -3.253 377 HB2 GLU 48 2HB GLU 48 5.015 14.935 -5.612 378 HB3 GLU 48 3HB GLU 48 6.694 15.147 -5.136 379 HG2 GLU 48 2HG GLU 48 7.292 13.160 -5.938 380 HG3 GLU 48 3HG GLU 48 5.885 12.354 -5.247 381 H THR 49 HN THR 49 3.791 13.485 -5.374 382 HA THR 49 HA THR 49 2.499 11.593 -5.654 383 HB THR 49 HB THR 49 3.059 10.700 -2.841 384 HG1 THR 49 1HG THR 49 5.085 10.415 -3.347 385 HG21 THR 49 1HG2 THR 49 1.704 9.636 -5.111 386 HG22 THR 49 2HG2 THR 49 1.905 8.918 -3.513 387 HG23 THR 49 3HG2 THR 49 3.105 8.622 -4.770 388 H ALA 50 HN ALA 50 2.384 13.563 -2.789 389 HA ALA 50 HA ALA 50 0.671 14.341 -1.498 390 HB1 ALA 50 1HB ALA 50 -0.444 14.231 -4.257 391 HB2 ALA 50 2HB ALA 50 -1.520 14.636 -2.920 392 HB3 ALA 50 3HB ALA 50 -0.095 15.625 -3.234 393 H ILE 51 HN ILE 51 0.982 11.312 -1.984 394 HA ILE 51 HA ILE 51 -0.219 9.363 -1.635 395 HB ILE 51 HB ILE 51 -0.941 11.031 0.777 396 HG12 ILE 51 2HG1 ILE 51 0.984 9.886 1.820 397 HG13 ILE 51 3HG1 ILE 51 1.326 9.085 0.291 398 HG21 ILE 51 1HG2 ILE 51 -1.413 8.988 1.927 399 HG22 ILE 51 2HG2 ILE 51 -2.364 9.011 0.444 400 HG23 ILE 51 3HG2 ILE 51 -0.902 8.028 0.539 401 HD11 ILE 51 1HD1 ILE 51 2.544 11.321 1.084 402 HD12 ILE 51 2HD1 ILE 51 2.266 10.921 -0.612 403 HD13 ILE 51 3HD1 ILE 51 1.176 12.028 0.223 404 H SER 52 HN SER 52 -1.733 9.509 -3.366 405 HA SER 52 HA SER 52 -4.388 10.538 -2.674 406 HB2 SER 52 2HB SER 52 -3.061 10.972 -4.925 407 HB3 SER 52 3HB SER 52 -3.763 9.418 -5.374 408 HG SER 52 HG SER 52 -5.349 10.726 -5.940 409 H CYS 53 HN CYS 53 -6.273 9.257 -3.006 410 HA CYS 53 HA CYS 53 -6.475 6.885 -1.812 411 HB2 CYS 53 2HB CYS 53 -8.413 8.080 -2.711 412 HB3 CYS 53 3HB CYS 53 -7.951 7.625 -4.348 413 HA PRO 54 HA PRO 54 -4.070 3.942 -4.061 414 HB2 PRO 54 2HB PRO 54 -5.075 1.695 -2.917 415 HB3 PRO 54 3HB PRO 54 -3.949 2.775 -2.086 416 HG2 PRO 54 2HG PRO 54 -6.929 2.601 -1.854 417 HG3 PRO 54 3HG PRO 54 -5.716 2.789 -0.574 418 HD2 PRO 54 2HD PRO 54 -7.158 4.871 -1.531 419 HD3 PRO 54 3HD PRO 54 -5.492 5.053 -0.944 420 H ASP 55 HN ASP 55 -7.257 4.584 -4.562 421 HA ASP 55 HA ASP 55 -7.595 2.372 -6.476 422 HB2 ASP 55 2HB ASP 55 -9.318 2.766 -4.601 423 HB3 ASP 55 3HB ASP 55 -9.811 4.178 -5.531 424 H ALA 56 HN ALA 56 -6.357 3.356 -8.115 425 HA ALA 56 HA ALA 56 -6.538 5.938 -9.068 426 HB1 ALA 56 1HB ALA 56 -4.861 4.329 -9.824 427 HB2 ALA 56 2HB ALA 56 -6.106 3.438 -10.701 428 HB3 ALA 56 3HB ALA 56 -5.689 5.082 -11.187 429 H ALA 57 HN ALA 57 -8.916 3.502 -9.158 430 HA ALA 57 HA ALA 57 -10.382 4.816 -11.333 431 HB1 ALA 57 1HB ALA 57 -11.541 2.863 -11.668 432 HB2 ALA 57 2HB ALA 57 -9.995 2.238 -11.096 433 HB3 ALA 57 3HB ALA 57 -11.367 2.342 -9.993 434 H CYS 58 HN CYS 58 -10.049 5.892 -8.572 435 HA CYS 58 HA CYS 58 -12.611 5.640 -7.297 436 HB2 CYS 58 2HB CYS 58 -10.414 6.109 -6.117 437 HB3 CYS 58 3HB CYS 58 -10.516 7.746 -6.758 438 HA PRO 59 HA PRO 59 -14.715 8.696 -9.699 439 HB2 PRO 59 2HB PRO 59 -16.842 9.042 -8.048 440 HB3 PRO 59 3HB PRO 59 -16.647 7.619 -9.078 441 HG2 PRO 59 2HG PRO 59 -16.046 7.944 -6.164 442 HG3 PRO 59 3HG PRO 59 -16.833 6.593 -6.999 443 HD2 PRO 59 2HD PRO 59 -14.231 6.530 -6.254 444 HD3 PRO 59 3HD PRO 59 -14.829 5.699 -7.704 445 H LYS 60 HN LYS 60 -13.538 9.163 -6.499 446 HA LYS 60 HA LYS 60 -13.788 12.079 -6.839 447 HB2 LYS 60 2HB LYS 60 -14.202 10.392 -4.388 448 HB3 LYS 60 3HB LYS 60 -13.724 12.080 -4.245 449 HG2 LYS 60 2HG LYS 60 -15.736 12.616 -5.697 450 HG3 LYS 60 3HG LYS 60 -16.249 10.952 -5.409 451 HD2 LYS 60 2HD LYS 60 -16.294 11.340 -3.022 452 HD3 LYS 60 3HD LYS 60 -15.654 12.970 -3.246 453 HE2 LYS 60 2HE LYS 60 -17.997 13.180 -2.909 454 HE3 LYS 60 3HE LYS 60 -17.692 13.474 -4.621 455 HZ1 LYS 60 1HZ LYS 60 -18.200 10.970 -4.845 456 HZ2 LYS 60 2HZ LYS 60 -19.487 12.052 -4.660 457 HZ3 LYS 60 3HZ LYS 60 -18.951 11.141 -3.339 458 H GLN 61 HN GLN 61 -11.757 9.418 -6.423 459 HA GLN 61 HA GLN 61 -9.572 9.178 -5.696 460 HB2 GLN 61 2HB GLN 61 -9.169 11.647 -7.373 461 HB3 GLN 61 3HB GLN 61 -8.086 10.274 -7.178 462 HG2 GLN 61 2HG GLN 61 -9.765 8.860 -8.340 463 HG3 GLN 61 3HG GLN 61 -10.711 10.317 -8.645 464 HE21 GLN 61 1HE2 GLN 61 -7.529 8.875 -9.160 465 HE22 GLN 61 2HE2 GLN 61 -7.217 9.664 -10.664 466 H GLY 62 HN GLY 62 -10.544 10.108 -3.523 467 HA2 GLY 62 1HA GLY 62 -9.775 12.724 -2.734 468 HA3 GLY 62 2HA GLY 62 -10.224 11.411 -1.656 469 H HIS 63 HN HIS 63 -8.008 13.491 -1.680 470 HA HIS 63 HA HIS 63 -5.635 11.802 -1.754 471 HB2 HIS 63 2HB HIS 63 -6.021 14.764 -1.314 472 HB3 HIS 63 3HB HIS 63 -4.455 13.968 -1.195 473 HD1 HIS 63 1HD HIS 63 -6.783 15.440 -3.598 474 HD2 HIS 63 2HD HIS 63 -3.567 12.812 -3.709 475 HE1 HIS 63 1HE HIS 63 -6.072 15.346 -6.009 476 H LEU 64 HN LEU 64 -4.064 12.024 0.091 477 HA LEU 64 HA LEU 64 -5.513 12.028 2.657 478 HB2 LEU 64 2HB LEU 64 -3.260 10.278 1.705 479 HB3 LEU 64 3HB LEU 64 -3.729 10.401 3.399 480 HG LEU 64 HG LEU 64 -5.866 9.693 1.476 481 HD11 LEU 64 1HD1 LEU 64 -5.005 7.235 1.883 482 HD12 LEU 64 2HD1 LEU 64 -3.439 8.041 1.940 483 HD13 LEU 64 3HD1 LEU 64 -4.452 8.187 0.505 484 HD21 LEU 64 1HD2 LEU 64 -5.575 9.774 4.219 485 HD22 LEU 64 2HD2 LEU 64 -5.454 8.056 3.842 486 HD23 LEU 64 3HD2 LEU 64 -6.872 8.973 3.332 487 H GLN 65 HN GLN 65 -4.220 12.588 4.548 488 HA GLN 65 HA GLN 65 -2.502 14.843 3.978 489 HB2 GLN 65 2HB GLN 65 -2.741 14.052 6.781 490 HB3 GLN 65 3HB GLN 65 -3.098 15.592 6.012 491 HG2 GLN 65 2HG GLN 65 -5.165 14.976 6.772 492 HG3 GLN 65 3HG GLN 65 -5.203 14.347 5.125 493 HE21 GLN 65 1HE2 GLN 65 -3.248 12.226 6.020 494 HE22 GLN 65 2HE2 GLN 65 -4.234 11.048 6.809 495 H GLU 66 HN GLU 66 -0.465 15.120 5.273 496 HA GLU 66 HA GLU 66 1.152 12.715 4.965 497 HB2 GLU 66 2HB GLU 66 1.622 15.592 4.853 498 HB3 GLU 66 3HB GLU 66 2.838 14.749 5.803 499 HG2 GLU 66 2HG GLU 66 3.718 13.710 4.011 500 HG3 GLU 66 3HG GLU 66 2.156 13.525 3.213 501 H ASN 67 HN ASN 67 -0.093 14.815 7.448 502 HA ASN 67 HA ASN 67 1.552 13.563 9.503 503 HB2 ASN 67 2HB ASN 67 1.362 15.590 10.431 504 HB3 ASN 67 3HB ASN 67 0.172 16.073 9.225 505 HD21 ASN 67 1HD2 ASN 67 -1.859 16.372 9.849 506 HD22 ASN 67 2HD2 ASN 67 -2.502 15.948 11.395 507 H GLU 68 HN GLU 68 -1.936 14.227 9.123 508 HA GLU 68 HA GLU 68 -2.999 12.687 11.064 509 HB2 GLU 68 2HB GLU 68 -3.907 13.688 8.525 510 HB3 GLU 68 3HB GLU 68 -4.583 12.090 8.808 511 HG2 GLU 68 2HG GLU 68 -4.697 14.026 11.043 512 HG3 GLU 68 3HG GLU 68 -5.751 14.315 9.660 513 H ILE 69 HN ILE 69 -1.715 11.518 7.994 514 HA ILE 69 HA ILE 69 -2.482 8.795 8.443 515 HB ILE 69 HB ILE 69 -0.658 10.120 6.454 516 HG12 ILE 69 2HG1 ILE 69 -3.432 9.122 6.526 517 HG13 ILE 69 3HG1 ILE 69 -2.720 10.406 5.556 518 HG21 ILE 69 1HG2 ILE 69 0.352 7.978 6.988 519 HG22 ILE 69 2HG2 ILE 69 -1.193 7.166 6.741 520 HG23 ILE 69 3HG2 ILE 69 -0.370 7.929 5.379 521 HD11 ILE 69 1HD1 ILE 69 -1.806 8.765 4.023 522 HD12 ILE 69 2HD1 ILE 69 -2.460 7.459 5.011 523 HD13 ILE 69 3HD1 ILE 69 -3.552 8.570 4.184 524 H GLU 70 HN GLU 70 0.776 10.220 8.126 525 HA GLU 70 HA GLU 70 2.279 8.163 9.076 526 HB2 GLU 70 2HB GLU 70 4.003 9.646 9.236 527 HB3 GLU 70 3HB GLU 70 2.874 10.654 8.341 528 HG2 GLU 70 2HG GLU 70 2.170 11.728 10.405 529 HG3 GLU 70 3HG GLU 70 3.266 10.699 11.324 530 H CYS 71 HN CYS 71 0.113 10.153 10.882 531 HA CYS 71 HA CYS 71 1.182 9.671 13.468 532 HB2 CYS 71 2HB CYS 71 -1.414 10.705 12.402 533 HB3 CYS 71 3HB CYS 71 -1.313 10.246 14.097 534 HG CYS 71 HG CYS 71 1.277 12.115 13.428 535 H MET 72 HN MET 72 -1.286 8.074 11.508 536 HA MET 72 HA MET 72 -1.974 6.189 13.562 537 HB2 MET 72 2HB MET 72 -3.620 5.470 12.151 538 HB3 MET 72 3HB MET 72 -3.337 7.060 11.454 539 HG2 MET 72 2HG MET 72 -1.667 5.854 9.917 540 HG3 MET 72 3HG MET 72 -2.481 4.380 10.439 541 HE1 MET 72 1HE MET 72 -2.764 3.989 7.904 542 HE2 MET 72 2HE MET 72 -3.934 4.817 6.876 543 HE3 MET 72 3HE MET 72 -2.383 5.577 7.237 544 H VAL 73 HN VAL 73 0.800 6.509 12.023 545 HA VAL 73 HA VAL 73 1.313 3.618 12.013 546 HB VAL 73 HB VAL 73 3.023 4.361 10.080 547 HG11 VAL 73 1HG1 VAL 73 0.241 3.788 9.195 548 HG12 VAL 73 2HG1 VAL 73 1.763 3.060 8.682 549 HG13 VAL 73 3HG1 VAL 73 1.053 2.618 10.235 550 HG21 VAL 73 1HG2 VAL 73 1.602 6.656 10.306 551 HG22 VAL 73 2HG2 VAL 73 2.413 6.133 8.831 552 HG23 VAL 73 3HG2 VAL 73 0.691 5.823 9.047 553 H ALA 74 HN ALA 74 3.174 6.592 11.373 554 HA ALA 74 HA ALA 74 5.223 5.642 13.239 555 HB1 ALA 74 1HB ALA 74 6.762 6.729 11.999 556 HB2 ALA 74 2HB ALA 74 5.520 6.616 10.752 557 HB3 ALA 74 3HB ALA 74 5.701 8.102 11.684 558 H ALA 75 HN ALA 75 3.066 6.416 14.622 559 HA ALA 75 HA ALA 75 2.440 8.909 15.328 560 HB1 ALA 75 1HB ALA 75 2.772 6.429 16.854 561 HB2 ALA 75 2HB ALA 75 2.814 7.900 17.826 562 HB3 ALA 75 3HB ALA 75 1.420 7.560 16.801 Start of MODEL 19 1 H1 ALA 1 HN ALA 1 -21.882 -7.082 5.281 2 HA ALA 1 HA ALA 1 -23.863 -5.817 5.376 3 HB1 ALA 1 1HB ALA 1 -25.457 -6.369 3.274 4 HB2 ALA 1 2HB ALA 1 -24.289 -5.048 3.301 5 HB3 ALA 1 3HB ALA 1 -23.871 -6.579 2.531 6 H LEU 2 HN LEU 2 -24.517 -8.787 3.508 7 HA LEU 2 HA LEU 2 -26.602 -9.553 5.339 8 HB2 LEU 2 2HB LEU 2 -25.631 -10.388 2.718 9 HB3 LEU 2 3HB LEU 2 -26.131 -11.737 3.736 10 HG LEU 2 HG LEU 2 -28.267 -10.145 4.041 11 HD11 LEU 2 1HD1 LEU 2 -27.913 -9.707 1.160 12 HD12 LEU 2 2HD1 LEU 2 -26.911 -8.696 2.200 13 HD13 LEU 2 3HD1 LEU 2 -28.665 -8.684 2.384 14 HD21 LEU 2 1HD2 LEU 2 -27.797 -12.003 1.712 15 HD22 LEU 2 2HD2 LEU 2 -29.366 -11.515 2.349 16 HD23 LEU 2 3HD2 LEU 2 -28.276 -12.488 3.339 17 H ASP 3 HN ASP 3 -23.265 -9.923 5.265 18 HA ASP 3 HA ASP 3 -23.048 -11.308 7.636 19 HB2 ASP 3 2HB ASP 3 -23.730 -13.380 7.017 20 HB3 ASP 3 3HB ASP 3 -23.456 -13.068 5.305 21 HA PRO 4 HA PRO 4 -18.774 -11.542 5.411 22 HB2 PRO 4 2HB PRO 4 -18.701 -10.958 2.761 23 HB3 PRO 4 3HB PRO 4 -18.973 -12.592 3.377 24 HG2 PRO 4 2HG PRO 4 -20.962 -10.585 2.388 25 HG3 PRO 4 3HG PRO 4 -20.880 -12.328 2.073 26 HD2 PRO 4 2HD PRO 4 -22.571 -11.255 3.896 27 HD3 PRO 4 3HD PRO 4 -21.852 -12.867 4.092 28 H LEU 5 HN LEU 5 -17.366 -9.861 3.981 29 HA LEU 5 HA LEU 5 -18.428 -7.168 4.516 30 HB2 LEU 5 2HB LEU 5 -15.580 -8.048 4.960 31 HB3 LEU 5 3HB LEU 5 -16.256 -6.455 5.291 32 HG LEU 5 HG LEU 5 -15.947 -7.628 7.363 33 HD11 LEU 5 1HD1 LEU 5 -18.099 -6.279 6.824 34 HD12 LEU 5 2HD1 LEU 5 -18.017 -7.237 8.302 35 HD13 LEU 5 3HD1 LEU 5 -18.889 -7.855 6.899 36 HD21 LEU 5 1HD2 LEU 5 -16.271 -9.813 7.642 37 HD22 LEU 5 2HD2 LEU 5 -16.521 -9.902 5.897 38 HD23 LEU 5 3HD2 LEU 5 -17.904 -9.732 6.980 39 H VAL 6 HN VAL 6 -15.427 -8.476 3.110 40 HA VAL 6 HA VAL 6 -14.298 -7.859 1.210 41 HB VAL 6 HB VAL 6 -16.871 -7.914 -0.295 42 HG11 VAL 6 1HG1 VAL 6 -14.120 -9.074 -0.692 43 HG12 VAL 6 2HG1 VAL 6 -15.484 -9.399 -1.764 44 HG13 VAL 6 3HG1 VAL 6 -14.874 -7.753 -1.585 45 HG21 VAL 6 1HG2 VAL 6 -15.657 -10.391 0.921 46 HG22 VAL 6 2HG2 VAL 6 -17.107 -9.593 1.530 47 HG23 VAL 6 3HG2 VAL 6 -17.099 -10.294 -0.088 48 H SER 7 HN SER 7 -13.652 -5.759 1.505 49 HA SER 7 HA SER 7 -15.266 -3.737 0.119 50 HB2 SER 7 2HB SER 7 -14.318 -3.680 2.940 51 HB3 SER 7 3HB SER 7 -14.220 -2.176 2.026 52 HG SER 7 HG SER 7 -16.539 -2.834 1.453 53 H CYS 8 HN CYS 8 -12.114 -4.332 1.671 54 HA CYS 8 HA CYS 8 -10.666 -2.394 0.276 55 HB2 CYS 8 2HB CYS 8 -9.933 -3.743 2.308 56 HB3 CYS 8 3HB CYS 8 -9.535 -5.039 1.185 57 H LYS 9 HN LYS 9 -9.365 -2.472 -1.559 58 HA LYS 9 HA LYS 9 -9.864 -4.744 -3.367 59 HB2 LYS 9 2HB LYS 9 -9.437 -1.912 -4.298 60 HB3 LYS 9 3HB LYS 9 -10.046 -3.278 -5.222 61 HG2 LYS 9 2HG LYS 9 -12.134 -2.798 -4.668 62 HG3 LYS 9 3HG LYS 9 -11.730 -2.791 -2.949 63 HD2 LYS 9 2HD LYS 9 -12.406 -0.621 -3.196 64 HD3 LYS 9 3HD LYS 9 -10.690 -0.440 -3.568 65 HE2 LYS 9 2HE LYS 9 -11.087 0.065 -5.722 66 HE3 LYS 9 3HE LYS 9 -12.366 -1.140 -5.871 67 HZ1 LYS 9 1HZ LYS 9 -12.653 1.607 -5.644 68 HZ2 LYS 9 2HZ LYS 9 -13.216 0.960 -4.186 69 HZ3 LYS 9 3HZ LYS 9 -13.881 0.442 -5.652 70 H LEU 10 HN LEU 10 -7.581 -2.835 -1.772 71 HA LEU 10 HA LEU 10 -5.427 -2.950 -3.606 72 HB2 LEU 10 2HB LEU 10 -5.635 -2.533 -0.647 73 HB3 LEU 10 3HB LEU 10 -4.061 -2.686 -1.426 74 HG LEU 10 HG LEU 10 -6.121 -0.587 -2.103 75 HD11 LEU 10 1HD1 LEU 10 -3.555 -0.245 -0.569 76 HD12 LEU 10 2HD1 LEU 10 -5.138 -0.399 0.191 77 HD13 LEU 10 3HD1 LEU 10 -4.801 0.965 -0.875 78 HD21 LEU 10 1HD2 LEU 10 -4.872 -0.139 -3.878 79 HD22 LEU 10 2HD2 LEU 10 -3.851 -1.528 -3.502 80 HD23 LEU 10 3HD2 LEU 10 -3.452 0.063 -2.853 81 H CYS 11 HN CYS 11 -6.731 -5.206 -1.301 82 HA CYS 11 HA CYS 11 -4.710 -7.166 -2.150 83 HB2 CYS 11 2HB CYS 11 -4.592 -8.081 0.096 84 HB3 CYS 11 3HB CYS 11 -4.184 -6.370 0.136 85 H LEU 12 HN LEU 12 -7.772 -6.388 -2.446 86 HA LEU 12 HA LEU 12 -9.777 -7.470 -2.664 87 HB2 LEU 12 2HB LEU 12 -7.912 -9.651 -3.586 88 HB3 LEU 12 3HB LEU 12 -9.638 -9.564 -3.929 89 HG LEU 12 HG LEU 12 -8.050 -7.233 -4.790 90 HD11 LEU 12 1HD1 LEU 12 -6.532 -9.133 -5.275 91 HD12 LEU 12 2HD1 LEU 12 -7.116 -8.310 -6.720 92 HD13 LEU 12 3HD1 LEU 12 -7.811 -9.860 -6.248 93 HD21 LEU 12 1HD2 LEU 12 -9.703 -8.633 -6.725 94 HD22 LEU 12 2HD2 LEU 12 -9.788 -6.964 -6.159 95 HD23 LEU 12 3HD2 LEU 12 -10.575 -8.249 -5.241 96 H GLY 13 HN GLY 13 -9.113 -7.517 -0.053 97 HA2 GLY 13 1HA GLY 13 -9.505 -10.297 0.835 98 HA3 GLY 13 2HA GLY 13 -8.900 -8.987 1.837 99 H GLU 14 HN GLU 14 -10.306 -7.773 3.000 100 HA GLU 14 HA GLU 14 -12.932 -7.193 2.523 101 HB2 GLU 14 2HB GLU 14 -13.941 -8.956 4.207 102 HB3 GLU 14 3HB GLU 14 -13.787 -9.320 2.494 103 HG2 GLU 14 2HG GLU 14 -12.319 -10.958 2.853 104 HG3 GLU 14 3HG GLU 14 -11.419 -10.019 4.044 105 H TYR 15 HN TYR 15 -11.941 -8.870 5.473 106 HA TYR 15 HA TYR 15 -11.667 -8.157 7.615 107 HB2 TYR 15 2HB TYR 15 -10.840 -5.469 6.551 108 HB3 TYR 15 3HB TYR 15 -10.260 -6.311 7.983 109 HD1 TYR 15 1HD TYR 15 -10.042 -6.107 4.320 110 HD2 TYR 15 2HD TYR 15 -8.518 -7.967 7.829 111 HE1 TYR 15 1HE TYR 15 -8.145 -6.985 3.023 112 HE2 TYR 15 2HE TYR 15 -6.616 -8.849 6.544 113 HH TYR 15 HH TYR 15 -5.495 -7.815 3.974 114 HA PRO 16 HA PRO 16 -15.397 -6.127 8.749 115 HB2 PRO 16 2HB PRO 16 -14.835 -5.537 11.338 116 HB3 PRO 16 3HB PRO 16 -15.184 -7.178 10.781 117 HG2 PRO 16 2HG PRO 16 -12.539 -5.883 11.320 118 HG3 PRO 16 3HG PRO 16 -13.094 -7.513 11.745 119 HD2 PRO 16 2HD PRO 16 -11.493 -7.026 9.615 120 HD3 PRO 16 3HD PRO 16 -12.692 -8.336 9.629 121 H VAL 17 HN VAL 17 -16.276 -4.094 8.956 122 HA VAL 17 HA VAL 17 -15.051 -1.884 7.987 123 HB VAL 17 HB VAL 17 -16.956 -1.466 10.254 124 HG11 VAL 17 1HG1 VAL 17 -16.188 0.468 9.020 125 HG12 VAL 17 2HG1 VAL 17 -16.678 -0.275 7.496 126 HG13 VAL 17 3HG1 VAL 17 -17.896 0.188 8.685 127 HG21 VAL 17 1HG2 VAL 17 -17.522 -2.930 7.705 128 HG22 VAL 17 2HG2 VAL 17 -18.046 -3.304 9.347 129 HG23 VAL 17 3HG2 VAL 17 -18.775 -1.955 8.476 130 H GLU 18 HN GLU 18 -15.186 -2.809 11.415 131 HA GLU 18 HA GLU 18 -13.864 -0.585 12.467 132 HB2 GLU 18 2HB GLU 18 -13.133 -2.366 14.259 133 HB3 GLU 18 3HB GLU 18 -14.817 -1.879 14.113 134 HG2 GLU 18 2HG GLU 18 -13.893 -4.208 12.523 135 HG3 GLU 18 3HG GLU 18 -14.105 -4.412 14.261 136 H GLN 19 HN GLN 19 -12.622 -3.506 10.973 137 HA GLN 19 HA GLN 19 -9.879 -2.881 11.647 138 HB2 GLN 19 2HB GLN 19 -11.206 -5.070 10.073 139 HB3 GLN 19 3HB GLN 19 -9.461 -4.862 10.042 140 HG2 GLN 19 2HG GLN 19 -10.564 -6.507 11.727 141 HG3 GLN 19 3HG GLN 19 -9.204 -5.502 12.224 142 HE21 GLN 19 1HE2 GLN 19 -11.964 -6.675 13.312 143 HE22 GLN 19 2HE2 GLN 19 -12.482 -5.399 14.356 144 H MET 20 HN MET 20 -11.521 -1.028 9.984 145 HA MET 20 HA MET 20 -9.674 -0.869 7.698 146 HB2 MET 20 2HB MET 20 -12.471 0.154 7.439 147 HB3 MET 20 3HB MET 20 -11.364 -0.395 6.189 148 HG2 MET 20 2HG MET 20 -11.654 -2.719 7.234 149 HG3 MET 20 3HG MET 20 -13.054 -2.021 8.046 150 HE1 MET 20 1HE MET 20 -11.434 -1.863 4.417 151 HE2 MET 20 2HE MET 20 -11.617 -3.558 4.867 152 HE3 MET 20 3HE MET 20 -12.592 -2.883 3.562 153 H THR 21 HN THR 21 -9.831 1.422 6.686 154 HA THR 21 HA THR 21 -10.223 3.477 8.736 155 HB THR 21 HB THR 21 -7.649 3.002 7.235 156 HG1 THR 21 1HG THR 21 -8.383 3.168 9.979 157 HG21 THR 21 1HG2 THR 21 -7.019 5.172 8.581 158 HG22 THR 21 2HG2 THR 21 -8.748 5.498 8.449 159 HG23 THR 21 3HG2 THR 21 -7.775 5.288 6.993 160 H THR 22 HN THR 22 -10.627 5.549 7.935 161 HA THR 22 HA THR 22 -11.614 5.593 5.202 162 HB THR 22 HB THR 22 -11.816 7.640 7.419 163 HG1 THR 22 1HG THR 22 -13.086 5.458 7.214 164 HG21 THR 22 1HG2 THR 22 -13.194 7.644 4.732 165 HG22 THR 22 2HG2 THR 22 -11.814 8.659 5.150 166 HG23 THR 22 3HG2 THR 22 -13.345 8.855 6.002 167 H ILE 23 HN ILE 23 -10.945 7.020 3.606 168 HA ILE 23 HA ILE 23 -8.203 7.647 3.527 169 HB ILE 23 HB ILE 23 -10.491 8.587 1.801 170 HG12 ILE 23 2HG1 ILE 23 -10.010 6.202 1.647 171 HG13 ILE 23 3HG1 ILE 23 -9.502 7.011 0.169 172 HG21 ILE 23 1HG2 ILE 23 -7.887 9.694 2.004 173 HG22 ILE 23 2HG2 ILE 23 -7.998 8.835 0.469 174 HG23 ILE 23 3HG2 ILE 23 -9.167 10.096 0.860 175 HD11 ILE 23 1HD1 ILE 23 -7.785 5.513 0.661 176 HD12 ILE 23 2HD1 ILE 23 -7.179 7.076 1.210 177 HD13 ILE 23 3HD1 ILE 23 -7.807 5.913 2.378 178 H ALA 24 HN ALA 24 -10.543 10.176 2.826 179 HA ALA 24 HA ALA 24 -10.465 11.824 4.962 180 HB1 ALA 24 1HB ALA 24 -8.188 11.965 5.250 181 HB2 ALA 24 2HB ALA 24 -7.854 11.901 3.519 182 HB3 ALA 24 3HB ALA 24 -8.492 13.379 4.241 183 H GLN 25 HN GLN 25 -9.861 11.747 1.489 184 HA GLN 25 HA GLN 25 -11.436 14.205 1.174 185 HB2 GLN 25 2HB GLN 25 -9.171 13.043 -0.249 186 HB3 GLN 25 3HB GLN 25 -10.469 13.528 -1.331 187 HG2 GLN 25 2HG GLN 25 -9.216 15.319 0.738 188 HG3 GLN 25 3HG GLN 25 -8.758 15.276 -0.964 189 HE21 GLN 25 1HE2 GLN 25 -10.688 16.748 1.298 190 HE22 GLN 25 2HE2 GLN 25 -11.814 17.518 0.239 191 H CYS 26 HN CYS 26 -11.045 11.015 -0.372 192 HA CYS 26 HA CYS 26 -13.630 11.217 -1.638 193 HB2 CYS 26 2HB CYS 26 -13.124 8.963 -2.505 194 HB3 CYS 26 3HB CYS 26 -11.807 10.093 -2.807 195 H GLN 27 HN GLN 27 -12.241 9.650 1.166 196 HA GLN 27 HA GLN 27 -13.286 8.818 3.030 197 HB2 GLN 27 2HB GLN 27 -15.950 8.963 1.651 198 HB3 GLN 27 3HB GLN 27 -15.594 9.056 3.370 199 HG2 GLN 27 2HG GLN 27 -15.343 11.156 1.270 200 HG3 GLN 27 3HG GLN 27 -16.123 11.233 2.848 201 HE21 GLN 27 1HE2 GLN 27 -13.975 10.113 4.330 202 HE22 GLN 27 2HE2 GLN 27 -12.705 11.283 4.375 203 H CYS 28 HN CYS 28 -12.107 7.150 1.249 204 HA CYS 28 HA CYS 28 -13.938 4.978 0.628 205 HB2 CYS 28 2HB CYS 28 -11.016 5.466 0.084 206 HB3 CYS 28 3HB CYS 28 -11.760 3.898 -0.212 207 H ILE 29 HN ILE 29 -12.704 2.706 1.054 208 HA ILE 29 HA ILE 29 -11.865 2.663 3.870 209 HB ILE 29 HB ILE 29 -14.361 1.816 3.049 210 HG12 ILE 29 2HG1 ILE 29 -12.965 0.608 5.423 211 HG13 ILE 29 3HG1 ILE 29 -13.317 2.332 5.365 212 HG21 ILE 29 1HG2 ILE 29 -13.385 -0.097 1.892 213 HG22 ILE 29 2HG2 ILE 29 -12.590 -0.602 3.383 214 HG23 ILE 29 3HG2 ILE 29 -14.351 -0.618 3.273 215 HD11 ILE 29 1HD1 ILE 29 -15.702 1.072 4.669 216 HD12 ILE 29 2HD1 ILE 29 -15.043 0.134 6.010 217 HD13 ILE 29 3HD1 ILE 29 -15.311 1.868 6.193 218 H PHE 30 HN PHE 30 -10.118 1.453 4.248 219 HA PHE 30 HA PHE 30 -9.487 -0.830 2.583 220 HB2 PHE 30 2HB PHE 30 -7.638 1.561 2.728 221 HB3 PHE 30 3HB PHE 30 -7.209 -0.005 2.045 222 HD1 PHE 30 1HD PHE 30 -8.919 3.133 1.507 223 HD2 PHE 30 2HD PHE 30 -8.317 -0.794 -0.021 224 HE1 PHE 30 1HE PHE 30 -9.802 3.851 -0.674 225 HE2 PHE 30 2HE PHE 30 -9.199 -0.082 -2.205 226 HZ PHE 30 HZ PHE 30 -9.942 2.242 -2.534 227 H CYS 31 HN CYS 31 -8.336 -2.353 3.656 228 HA CYS 31 HA CYS 31 -8.166 -2.291 6.433 229 HB2 CYS 31 2HB CYS 31 -7.046 -4.379 6.294 230 HB3 CYS 31 3HB CYS 31 -8.134 -4.327 4.911 231 H THR 32 HN THR 32 -6.711 -1.553 7.852 232 HA THR 32 HA THR 32 -4.914 0.373 7.489 233 HB THR 32 HB THR 32 -4.212 -1.937 9.298 234 HG1 THR 32 1HG THR 32 -6.288 -0.044 9.451 235 HG21 THR 32 1HG2 THR 32 -3.308 0.817 8.966 236 HG22 THR 32 2HG2 THR 32 -2.552 -0.526 9.825 237 HG23 THR 32 3HG2 THR 32 -3.790 0.444 10.621 238 H LEU 33 HN LEU 33 -3.846 -3.035 7.535 239 HA LEU 33 HA LEU 33 -1.269 -2.905 6.892 240 HB2 LEU 33 2HB LEU 33 -3.336 -4.678 5.610 241 HB3 LEU 33 3HB LEU 33 -1.602 -4.904 5.394 242 HG LEU 33 HG LEU 33 -2.521 -4.794 8.190 243 HD11 LEU 33 1HD1 LEU 33 -3.275 -7.168 8.101 244 HD12 LEU 33 2HD1 LEU 33 -3.314 -7.036 6.343 245 HD13 LEU 33 3HD1 LEU 33 -4.375 -6.028 7.325 246 HD21 LEU 33 1HD2 LEU 33 -0.710 -6.102 8.548 247 HD22 LEU 33 2HD2 LEU 33 -0.212 -5.432 6.994 248 HD23 LEU 33 3HD2 LEU 33 -0.950 -7.033 7.070 249 H CYS 34 HN CYS 34 -3.618 -3.140 4.218 250 HA CYS 34 HA CYS 34 -1.863 -2.358 2.205 251 HB2 CYS 34 2HB CYS 34 -4.866 -2.021 2.340 252 HB3 CYS 34 3HB CYS 34 -3.902 -1.864 0.876 253 H LEU 35 HN LEU 35 -4.420 -0.349 3.679 254 HA LEU 35 HA LEU 35 -3.743 2.061 2.518 255 HB2 LEU 35 2HB LEU 35 -5.688 1.349 4.132 256 HB3 LEU 35 3HB LEU 35 -4.621 2.015 5.368 257 HG LEU 35 HG LEU 35 -4.685 4.188 4.298 258 HD11 LEU 35 1HD1 LEU 35 -6.714 4.069 2.432 259 HD12 LEU 35 2HD1 LEU 35 -5.737 2.645 2.077 260 HD13 LEU 35 3HD1 LEU 35 -4.992 4.243 2.095 261 HD21 LEU 35 1HD2 LEU 35 -7.356 2.896 4.789 262 HD22 LEU 35 2HD2 LEU 35 -7.164 4.626 4.506 263 HD23 LEU 35 3HD2 LEU 35 -6.394 3.869 5.902 264 H LYS 36 HN LYS 36 -1.977 0.263 4.796 265 HA LYS 36 HA LYS 36 -0.483 2.564 5.782 266 HB2 LYS 36 2HB LYS 36 -1.057 0.827 7.389 267 HB3 LYS 36 3HB LYS 36 -0.251 -0.387 6.402 268 HG2 LYS 36 2HG LYS 36 1.457 1.867 7.144 269 HG3 LYS 36 3HG LYS 36 0.865 0.924 8.512 270 HD2 LYS 36 2HD LYS 36 1.590 -1.093 6.944 271 HD3 LYS 36 3HD LYS 36 2.679 0.135 6.295 272 HE2 LYS 36 2HE LYS 36 3.088 0.542 8.903 273 HE3 LYS 36 3HE LYS 36 2.633 -1.160 8.960 274 HZ1 LYS 36 1HZ LYS 36 5.097 -0.508 8.631 275 HZ2 LYS 36 2HZ LYS 36 4.651 -0.253 7.021 276 HZ3 LYS 36 3HZ LYS 36 4.451 -1.779 7.720 277 H GLN 37 HN GLN 37 0.581 -0.621 4.591 278 HA GLN 37 HA GLN 37 3.132 -0.004 3.880 279 HB2 GLN 37 2HB GLN 37 1.302 -2.101 3.309 280 HB3 GLN 37 3HB GLN 37 2.085 -1.657 1.798 281 HG2 GLN 37 2HG GLN 37 3.923 -2.734 2.379 282 HG3 GLN 37 3HG GLN 37 4.044 -1.804 3.872 283 HE21 GLN 37 1HE2 GLN 37 2.515 -4.623 2.412 284 HE22 GLN 37 2HE2 GLN 37 2.367 -5.527 3.876 285 H TYR 38 HN TYR 38 0.255 1.115 2.376 286 HA TYR 38 HA TYR 38 1.513 1.844 -0.119 287 HB2 TYR 38 2HB TYR 38 -0.650 1.641 -0.697 288 HB3 TYR 38 3HB TYR 38 -1.195 1.796 0.969 289 HD1 TYR 38 1HD TYR 38 0.613 4.197 -1.247 290 HD2 TYR 38 2HD TYR 38 -2.911 3.353 0.983 291 HE1 TYR 38 1HE TYR 38 -0.232 6.454 -1.740 292 HE2 TYR 38 2HE TYR 38 -3.766 5.607 0.496 293 HH TYR 38 HH TYR 38 -1.867 7.918 -1.423 294 H VAL 39 HN VAL 39 0.139 3.619 2.648 295 HA VAL 39 HA VAL 39 1.248 6.120 1.723 296 HB VAL 39 HB VAL 39 0.265 7.109 3.703 297 HG11 VAL 39 1HG1 VAL 39 -1.726 7.098 2.713 298 HG12 VAL 39 2HG1 VAL 39 -1.146 5.784 1.687 299 HG13 VAL 39 3HG1 VAL 39 -2.009 5.422 3.184 300 HG21 VAL 39 1HG2 VAL 39 -0.145 4.255 4.556 301 HG22 VAL 39 2HG2 VAL 39 0.716 5.538 5.407 302 HG23 VAL 39 3HG2 VAL 39 -1.041 5.597 5.266 303 H GLU 40 HN GLU 40 1.738 4.024 4.564 304 HA GLU 40 HA GLU 40 3.612 5.253 6.003 305 HB2 GLU 40 2HB GLU 40 2.794 2.662 5.823 306 HB3 GLU 40 3HB GLU 40 4.468 2.520 5.303 307 HG2 GLU 40 2HG GLU 40 4.432 4.169 7.597 308 HG3 GLU 40 3HG GLU 40 3.429 2.760 7.934 309 H LEU 41 HN LEU 41 4.135 3.923 2.800 310 HA LEU 41 HA LEU 41 6.976 4.449 2.851 311 HB2 LEU 41 2HB LEU 41 5.196 2.902 1.279 312 HB3 LEU 41 3HB LEU 41 6.005 4.041 0.205 313 HG LEU 41 HG LEU 41 8.157 3.173 0.798 314 HD11 LEU 41 1HD1 LEU 41 8.073 2.712 3.075 315 HD12 LEU 41 2HD1 LEU 41 8.190 1.113 2.341 316 HD13 LEU 41 3HD1 LEU 41 6.633 1.706 2.920 317 HD21 LEU 41 1HD2 LEU 41 7.233 1.912 -0.937 318 HD22 LEU 41 2HD2 LEU 41 6.074 1.120 0.130 319 HD23 LEU 41 3HD2 LEU 41 7.785 0.704 0.221 320 H LEU 42 HN LEU 42 4.105 5.822 1.289 321 HA LEU 42 HA LEU 42 5.598 7.900 -0.018 322 HB2 LEU 42 2HB LEU 42 2.665 7.364 0.350 323 HB3 LEU 42 3HB LEU 42 3.260 8.822 -0.441 324 HG LEU 42 HG LEU 42 3.990 6.074 -1.417 325 HD11 LEU 42 1HD1 LEU 42 2.141 6.744 -3.174 326 HD12 LEU 42 2HD1 LEU 42 1.471 7.605 -1.788 327 HD13 LEU 42 3HD1 LEU 42 1.737 5.864 -1.700 328 HD21 LEU 42 1HD2 LEU 42 4.279 8.870 -2.367 329 HD22 LEU 42 2HD2 LEU 42 3.971 7.621 -3.575 330 HD23 LEU 42 3HD2 LEU 42 5.380 7.500 -2.519 331 H ILE 43 HN ILE 43 2.968 8.086 2.389 332 HA ILE 43 HA ILE 43 3.084 10.659 3.150 333 HB ILE 43 HB ILE 43 2.059 8.341 4.305 334 HG12 ILE 43 2HG1 ILE 43 1.147 10.262 5.960 335 HG13 ILE 43 3HG1 ILE 43 1.810 11.272 4.681 336 HG21 ILE 43 1HG2 ILE 43 3.718 9.836 6.332 337 HG22 ILE 43 2HG2 ILE 43 2.580 8.534 6.675 338 HG23 ILE 43 3HG2 ILE 43 4.040 8.207 5.741 339 HD11 ILE 43 1HD1 ILE 43 0.224 9.106 3.615 340 HD12 ILE 43 2HD1 ILE 43 -0.691 10.107 4.743 341 HD13 ILE 43 3HD1 ILE 43 0.095 10.844 3.347 342 H LYS 44 HN LYS 44 5.523 8.258 3.781 343 HA LYS 44 HA LYS 44 6.943 9.759 5.756 344 HB2 LYS 44 2HB LYS 44 7.150 7.176 4.512 345 HB3 LYS 44 3HB LYS 44 8.719 7.971 4.476 346 HG2 LYS 44 2HG LYS 44 8.390 6.564 6.470 347 HG3 LYS 44 3HG LYS 44 8.685 8.260 6.864 348 HD2 LYS 44 2HD LYS 44 6.873 8.076 8.171 349 HD3 LYS 44 3HD LYS 44 5.956 8.176 6.667 350 HE2 LYS 44 2HE LYS 44 5.135 6.153 7.073 351 HE3 LYS 44 3HE LYS 44 6.765 5.493 6.944 352 HZ1 LYS 44 1HZ LYS 44 5.141 5.892 9.269 353 HZ2 LYS 44 2HZ LYS 44 6.690 6.546 9.448 354 HZ3 LYS 44 3HZ LYS 44 6.502 4.909 9.061 355 H GLU 45 HN GLU 45 7.582 9.049 2.320 356 HA GLU 45 HA GLU 45 9.830 10.738 2.109 357 HB2 GLU 45 2HB GLU 45 8.555 8.916 0.466 358 HB3 GLU 45 3HB GLU 45 8.301 10.447 -0.360 359 HG2 GLU 45 2HG GLU 45 10.278 9.811 -1.288 360 HG3 GLU 45 3HG GLU 45 10.869 10.747 0.083 361 H GLY 46 HN GLY 46 6.620 11.251 0.630 362 HA2 GLY 46 1HA GLY 46 5.395 13.171 0.322 363 HA3 GLY 46 2HA GLY 46 6.328 13.888 1.627 364 H LEU 47 HN LEU 47 7.040 12.772 -1.687 365 HA LEU 47 HA LEU 47 8.668 15.167 -2.083 366 HB2 LEU 47 2HB LEU 47 9.284 13.979 -4.237 367 HB3 LEU 47 3HB LEU 47 9.824 13.240 -2.730 368 HG LEU 47 HG LEU 47 7.279 12.287 -3.956 369 HD11 LEU 47 1HD1 LEU 47 9.209 12.475 -5.693 370 HD12 LEU 47 2HD1 LEU 47 8.276 10.984 -5.572 371 HD13 LEU 47 3HD1 LEU 47 9.872 11.089 -4.827 372 HD21 LEU 47 1HD2 LEU 47 9.173 11.458 -1.925 373 HD22 LEU 47 2HD2 LEU 47 8.841 10.173 -3.087 374 HD23 LEU 47 3HD2 LEU 47 7.514 10.931 -2.206 375 H GLU 48 HN GLU 48 5.698 13.690 -3.127 376 HA GLU 48 HA GLU 48 4.508 15.988 -4.055 377 HB2 GLU 48 2HB GLU 48 4.614 15.527 -6.572 378 HB3 GLU 48 3HB GLU 48 6.025 16.265 -5.825 379 HG2 GLU 48 2HG GLU 48 7.113 14.070 -5.738 380 HG3 GLU 48 3HG GLU 48 5.708 13.356 -6.529 381 H THR 49 HN THR 49 4.868 12.545 -4.257 382 HA THR 49 HA THR 49 2.716 11.614 -5.593 383 HB THR 49 HB THR 49 3.312 10.578 -2.826 384 HG1 THR 49 1HG THR 49 4.740 9.928 -5.202 385 HG21 THR 49 1HG2 THR 49 2.139 8.778 -3.447 386 HG22 THR 49 2HG2 THR 49 2.993 8.667 -4.986 387 HG23 THR 49 3HG2 THR 49 1.589 9.723 -4.830 388 H ALA 50 HN ALA 50 2.646 13.492 -2.683 389 HA ALA 50 HA ALA 50 0.958 14.276 -1.364 390 HB1 ALA 50 1HB ALA 50 -1.229 14.665 -2.749 391 HB2 ALA 50 2HB ALA 50 0.225 15.605 -3.088 392 HB3 ALA 50 3HB ALA 50 -0.197 14.232 -4.112 393 H ILE 51 HN ILE 51 1.203 11.253 -1.910 394 HA ILE 51 HA ILE 51 -0.016 9.319 -1.572 395 HB ILE 51 HB ILE 51 -0.752 10.987 0.835 396 HG12 ILE 51 2HG1 ILE 51 1.134 9.860 1.910 397 HG13 ILE 51 3HG1 ILE 51 1.452 8.951 0.436 398 HG21 ILE 51 1HG2 ILE 51 -2.251 9.074 0.576 399 HG22 ILE 51 2HG2 ILE 51 -0.860 7.996 0.471 400 HG23 ILE 51 3HG2 ILE 51 -1.185 8.870 1.966 401 HD11 ILE 51 1HD1 ILE 51 1.443 11.899 0.226 402 HD12 ILE 51 2HD1 ILE 51 2.787 11.146 1.083 403 HD13 ILE 51 3HD1 ILE 51 2.449 10.702 -0.589 404 H SER 52 HN SER 52 -1.502 9.458 -3.318 405 HA SER 52 HA SER 52 -4.155 10.529 -2.678 406 HB2 SER 52 2HB SER 52 -3.950 9.443 -5.343 407 HB3 SER 52 3HB SER 52 -4.269 11.103 -4.842 408 HG SER 52 HG SER 52 -2.119 10.225 -6.007 409 H CYS 53 HN CYS 53 -6.043 9.273 -2.974 410 HA CYS 53 HA CYS 53 -6.277 6.899 -1.801 411 HB2 CYS 53 2HB CYS 53 -8.200 8.125 -2.690 412 HB3 CYS 53 3HB CYS 53 -7.747 7.671 -4.330 413 HA PRO 54 HA PRO 54 -3.919 3.931 -4.065 414 HB2 PRO 54 2HB PRO 54 -4.955 1.693 -2.930 415 HB3 PRO 54 3HB PRO 54 -3.813 2.754 -2.096 416 HG2 PRO 54 2HG PRO 54 -6.795 2.621 -1.861 417 HG3 PRO 54 3HG PRO 54 -5.578 2.786 -0.581 418 HD2 PRO 54 2HD PRO 54 -6.992 4.893 -1.528 419 HD3 PRO 54 3HD PRO 54 -5.323 5.049 -0.942 420 H ASP 55 HN ASP 55 -7.097 4.622 -4.561 421 HA ASP 55 HA ASP 55 -7.465 2.428 -6.490 422 HB2 ASP 55 2HB ASP 55 -9.238 2.484 -4.842 423 HB3 ASP 55 3HB ASP 55 -9.508 4.200 -5.137 424 H ALA 56 HN ALA 56 -6.278 3.366 -8.165 425 HA ALA 56 HA ALA 56 -6.457 5.986 -9.081 426 HB1 ALA 56 1HB ALA 56 -4.764 5.066 -10.214 427 HB2 ALA 56 2HB ALA 56 -5.459 3.447 -10.120 428 HB3 ALA 56 3HB ALA 56 -5.996 4.565 -11.374 429 H ALA 57 HN ALA 57 -8.821 3.574 -9.127 430 HA ALA 57 HA ALA 57 -10.260 4.820 -11.363 431 HB1 ALA 57 1HB ALA 57 -11.092 2.299 -9.963 432 HB2 ALA 57 2HB ALA 57 -11.507 2.853 -11.586 433 HB3 ALA 57 3HB ALA 57 -9.870 2.296 -11.237 434 H CYS 58 HN CYS 58 -9.951 5.689 -8.418 435 HA CYS 58 HA CYS 58 -12.551 5.503 -7.270 436 HB2 CYS 58 2HB CYS 58 -10.363 5.942 -6.044 437 HB3 CYS 58 3HB CYS 58 -10.476 7.598 -6.631 438 HA PRO 59 HA PRO 59 -14.583 8.623 -9.653 439 HB2 PRO 59 2HB PRO 59 -16.748 8.941 -8.045 440 HB3 PRO 59 3HB PRO 59 -16.534 7.541 -9.102 441 HG2 PRO 59 2HG PRO 59 -16.003 7.797 -6.167 442 HG3 PRO 59 3HG PRO 59 -16.775 6.469 -7.053 443 HD2 PRO 59 2HD PRO 59 -14.191 6.375 -6.248 444 HD3 PRO 59 3HD PRO 59 -14.757 5.581 -7.730 445 H LYS 60 HN LYS 60 -13.382 9.019 -6.476 446 HA LYS 60 HA LYS 60 -13.712 11.939 -6.702 447 HB2 LYS 60 2HB LYS 60 -14.366 10.131 -4.498 448 HB3 LYS 60 3HB LYS 60 -13.335 11.468 -4.006 449 HG2 LYS 60 2HG LYS 60 -15.558 12.290 -5.702 450 HG3 LYS 60 3HG LYS 60 -16.063 11.533 -4.188 451 HD2 LYS 60 2HD LYS 60 -15.843 13.670 -3.442 452 HD3 LYS 60 3HD LYS 60 -14.172 13.145 -3.223 453 HE2 LYS 60 2HE LYS 60 -13.543 14.818 -4.543 454 HE3 LYS 60 3HE LYS 60 -14.351 14.003 -5.880 455 HZ1 LYS 60 1HZ LYS 60 -15.965 15.653 -4.075 456 HZ2 LYS 60 2HZ LYS 60 -16.168 15.348 -5.726 457 HZ3 LYS 60 3HZ LYS 60 -14.981 16.436 -5.207 458 H GLN 61 HN GLN 61 -11.622 9.261 -6.188 459 HA GLN 61 HA GLN 61 -9.414 9.114 -5.511 460 HB2 GLN 61 2HB GLN 61 -8.892 11.401 -7.354 461 HB3 GLN 61 3HB GLN 61 -8.057 9.859 -7.221 462 HG2 GLN 61 2HG GLN 61 -9.718 8.731 -8.436 463 HG3 GLN 61 3HG GLN 61 -10.857 10.066 -8.273 464 HE21 GLN 61 1HE2 GLN 61 -7.469 10.425 -9.060 465 HE22 GLN 61 2HE2 GLN 61 -7.706 10.986 -10.677 466 H GLY 62 HN GLY 62 -9.968 10.043 -3.350 467 HA2 GLY 62 1HA GLY 62 -9.217 12.815 -2.921 468 HA3 GLY 62 2HA GLY 62 -9.787 11.685 -1.701 469 H HIS 63 HN HIS 63 -7.590 13.479 -1.417 470 HA HIS 63 HA HIS 63 -5.243 11.729 -1.511 471 HB2 HIS 63 2HB HIS 63 -5.631 14.688 -1.218 472 HB3 HIS 63 3HB HIS 63 -4.130 13.944 -0.673 473 HD1 HIS 63 1HD HIS 63 -5.510 15.524 -3.529 474 HD2 HIS 63 2HD HIS 63 -2.998 12.267 -2.945 475 HE1 HIS 63 1HE HIS 63 -4.337 15.177 -5.726 476 H LEU 64 HN LEU 64 -3.772 11.798 0.406 477 HA LEU 64 HA LEU 64 -5.369 11.649 2.873 478 HB2 LEU 64 2HB LEU 64 -2.818 10.251 2.090 479 HB3 LEU 64 3HB LEU 64 -3.544 10.161 3.693 480 HG LEU 64 HG LEU 64 -3.918 8.237 1.986 481 HD11 LEU 64 1HD1 LEU 64 -5.545 9.392 4.072 482 HD12 LEU 64 2HD1 LEU 64 -5.210 7.699 3.710 483 HD13 LEU 64 3HD1 LEU 64 -6.530 8.532 2.888 484 HD21 LEU 64 1HD2 LEU 64 -5.774 8.484 0.517 485 HD22 LEU 64 2HD2 LEU 64 -4.668 9.819 0.191 486 HD23 LEU 64 3HD2 LEU 64 -6.131 10.096 1.137 487 H GLN 65 HN GLN 65 -4.238 12.201 4.891 488 HA GLN 65 HA GLN 65 -2.755 14.671 4.551 489 HB2 GLN 65 2HB GLN 65 -3.149 13.750 7.295 490 HB3 GLN 65 3HB GLN 65 -3.611 15.270 6.541 491 HG2 GLN 65 2HG GLN 65 -5.649 14.392 7.111 492 HG3 GLN 65 3HG GLN 65 -5.486 13.854 5.441 493 HE21 GLN 65 1HE2 GLN 65 -3.370 11.922 6.439 494 HE22 GLN 65 2HE2 GLN 65 -4.282 10.598 7.072 495 H GLU 66 HN GLU 66 -0.796 15.118 5.757 496 HA GLU 66 HA GLU 66 0.996 12.821 5.720 497 HB2 GLU 66 2HB GLU 66 1.348 15.785 5.671 498 HB3 GLU 66 3HB GLU 66 2.673 14.794 6.266 499 HG2 GLU 66 2HG GLU 66 2.060 13.492 3.977 500 HG3 GLU 66 3HG GLU 66 1.652 15.149 3.539 501 H ASN 67 HN ASN 67 -0.678 14.802 7.961 502 HA ASN 67 HA ASN 67 1.075 14.092 10.181 503 HB2 ASN 67 2HB ASN 67 -0.258 15.596 11.512 504 HB3 ASN 67 3HB ASN 67 0.114 16.393 9.986 505 HD21 ASN 67 1HD2 ASN 67 -2.155 16.412 12.085 506 HD22 ASN 67 2HD2 ASN 67 -3.580 16.411 11.110 507 H GLU 68 HN GLU 68 -2.343 13.702 9.260 508 HA GLU 68 HA GLU 68 -3.127 12.102 11.404 509 HB2 GLU 68 2HB GLU 68 -4.231 12.944 8.899 510 HB3 GLU 68 3HB GLU 68 -4.534 11.225 9.103 511 HG2 GLU 68 2HG GLU 68 -5.073 12.824 11.490 512 HG3 GLU 68 3HG GLU 68 -6.082 13.226 10.100 513 H ILE 69 HN ILE 69 -2.475 10.927 8.098 514 HA ILE 69 HA ILE 69 -2.444 8.245 8.548 515 HB ILE 69 HB ILE 69 -0.650 9.841 6.724 516 HG12 ILE 69 2HG1 ILE 69 -3.384 8.786 6.602 517 HG13 ILE 69 3HG1 ILE 69 -2.632 10.073 5.668 518 HG21 ILE 69 1HG2 ILE 69 -0.210 7.728 5.543 519 HG22 ILE 69 2HG2 ILE 69 0.437 7.726 7.182 520 HG23 ILE 69 3HG2 ILE 69 -1.052 6.854 6.821 521 HD11 ILE 69 1HD1 ILE 69 -1.613 8.419 4.202 522 HD12 ILE 69 2HD1 ILE 69 -2.351 7.124 5.144 523 HD13 ILE 69 3HD1 ILE 69 -3.368 8.250 4.244 524 H GLU 70 HN GLU 70 0.527 10.227 8.568 525 HA GLU 70 HA GLU 70 2.263 8.311 9.533 526 HB2 GLU 70 2HB GLU 70 3.766 10.050 10.008 527 HB3 GLU 70 3HB GLU 70 2.766 10.685 8.709 528 HG2 GLU 70 2HG GLU 70 1.576 12.089 10.163 529 HG3 GLU 70 3HG GLU 70 2.173 11.249 11.593 530 H CYS 71 HN CYS 71 -0.305 9.852 11.167 531 HA CYS 71 HA CYS 71 0.719 9.587 13.827 532 HB2 CYS 71 2HB CYS 71 -1.323 11.010 12.741 533 HB3 CYS 71 3HB CYS 71 -2.210 9.666 13.448 534 HG CYS 71 HG CYS 71 -1.346 10.103 16.038 535 H MET 72 HN MET 72 -1.122 7.582 11.640 536 HA MET 72 HA MET 72 -1.730 5.640 13.717 537 HB2 MET 72 2HB MET 72 -3.197 4.666 12.230 538 HB3 MET 72 3HB MET 72 -3.214 6.331 11.664 539 HG2 MET 72 2HG MET 72 -1.141 5.194 10.249 540 HG3 MET 72 3HG MET 72 -2.349 3.913 10.320 541 HE1 MET 72 1HE MET 72 -2.016 4.320 7.562 542 HE2 MET 72 2HE MET 72 -3.544 3.645 8.130 543 HE3 MET 72 3HE MET 72 -3.541 4.911 6.902 544 H VAL 73 HN VAL 73 0.949 6.368 12.028 545 HA VAL 73 HA VAL 73 1.902 3.590 12.124 546 HB VAL 73 HB VAL 73 3.352 4.192 10.096 547 HG11 VAL 73 1HG1 VAL 73 0.374 3.842 9.766 548 HG12 VAL 73 2HG1 VAL 73 1.585 3.524 8.522 549 HG13 VAL 73 3HG1 VAL 73 1.559 2.557 9.998 550 HG21 VAL 73 1HG2 VAL 73 1.512 6.505 10.216 551 HG22 VAL 73 2HG2 VAL 73 3.165 6.400 9.611 552 HG23 VAL 73 3HG2 VAL 73 1.825 5.820 8.622 553 H ALA 74 HN ALA 74 3.085 6.903 11.508 554 HA ALA 74 HA ALA 74 5.533 6.315 12.961 555 HB1 ALA 74 1HB ALA 74 6.262 8.528 12.219 556 HB2 ALA 74 2HB ALA 74 5.682 7.554 10.868 557 HB3 ALA 74 3HB ALA 74 4.664 8.828 11.539 558 H ALA 75 HN ALA 75 2.652 6.818 14.085 559 HA ALA 75 HA ALA 75 2.359 9.041 15.571 560 HB1 ALA 75 1HB ALA 75 1.356 6.430 15.691 561 HB2 ALA 75 2HB ALA 75 1.903 6.812 17.324 562 HB3 ALA 75 3HB ALA 75 0.737 7.859 16.519 Start of MODEL 20 1 H1 ALA 1 HN ALA 1 -24.955 -19.531 0.222 2 HA ALA 1 HA ALA 1 -22.772 -20.724 -0.174 3 HB1 ALA 1 1HB ALA 1 -24.608 -20.068 -2.456 4 HB2 ALA 1 2HB ALA 1 -23.238 -21.164 -2.646 5 HB3 ALA 1 3HB ALA 1 -24.520 -21.545 -1.497 6 H LEU 2 HN LEU 2 -20.761 -19.934 -0.144 7 HA LEU 2 HA LEU 2 -18.873 -18.808 -0.727 8 HB2 LEU 2 2HB LEU 2 -19.688 -20.059 -2.922 9 HB3 LEU 2 3HB LEU 2 -19.864 -18.403 -3.498 10 HG LEU 2 HG LEU 2 -17.295 -18.633 -2.318 11 HD11 LEU 2 1HD1 LEU 2 -18.033 -20.905 -4.141 12 HD12 LEU 2 2HD1 LEU 2 -17.282 -20.980 -2.549 13 HD13 LEU 2 3HD1 LEU 2 -16.373 -20.353 -3.923 14 HD21 LEU 2 1HD2 LEU 2 -16.598 -17.715 -4.307 15 HD22 LEU 2 2HD2 LEU 2 -18.302 -17.258 -4.301 16 HD23 LEU 2 3HD2 LEU 2 -17.760 -18.634 -5.265 17 H ASP 3 HN ASP 3 -18.242 -16.756 -2.350 18 HA ASP 3 HA ASP 3 -18.195 -14.470 -2.284 19 HB2 ASP 3 2HB ASP 3 -20.869 -15.296 -3.225 20 HB3 ASP 3 3HB ASP 3 -20.736 -13.615 -2.715 21 HA PRO 4 HA PRO 4 -19.701 -14.268 2.107 22 HB2 PRO 4 2HB PRO 4 -17.321 -13.465 3.135 23 HB3 PRO 4 3HB PRO 4 -17.742 -15.165 2.904 24 HG2 PRO 4 2HG PRO 4 -16.070 -13.376 1.181 25 HG3 PRO 4 3HG PRO 4 -15.781 -15.060 1.659 26 HD2 PRO 4 2HD PRO 4 -16.780 -14.383 -0.765 27 HD3 PRO 4 3HD PRO 4 -17.220 -15.891 0.062 28 H LEU 5 HN LEU 5 -17.038 -12.052 1.971 29 HA LEU 5 HA LEU 5 -18.855 -9.793 1.504 30 HB2 LEU 5 2HB LEU 5 -17.530 -10.488 3.972 31 HB3 LEU 5 3HB LEU 5 -17.012 -8.903 3.401 32 HG LEU 5 HG LEU 5 -19.923 -9.353 3.400 33 HD11 LEU 5 1HD1 LEU 5 -20.290 -9.476 5.646 34 HD12 LEU 5 2HD1 LEU 5 -18.736 -8.753 6.056 35 HD13 LEU 5 3HD1 LEU 5 -18.815 -10.436 5.538 36 HD21 LEU 5 1HD2 LEU 5 -19.090 -7.200 2.827 37 HD22 LEU 5 2HD2 LEU 5 -18.056 -7.149 4.255 38 HD23 LEU 5 3HD2 LEU 5 -19.810 -7.068 4.431 39 H VAL 6 HN VAL 6 -17.119 -7.720 1.844 40 HA VAL 6 HA VAL 6 -14.553 -7.924 0.841 41 HB VAL 6 HB VAL 6 -15.312 -8.858 -1.197 42 HG11 VAL 6 1HG1 VAL 6 -17.305 -8.486 -2.139 43 HG12 VAL 6 2HG1 VAL 6 -17.697 -7.606 -0.661 44 HG13 VAL 6 3HG1 VAL 6 -17.105 -6.735 -2.076 45 HG21 VAL 6 1HG2 VAL 6 -15.190 -6.079 -2.176 46 HG22 VAL 6 2HG2 VAL 6 -13.861 -6.594 -1.140 47 HG23 VAL 6 3HG2 VAL 6 -14.220 -7.483 -2.620 48 H SER 7 HN SER 7 -13.564 -5.951 0.787 49 HA SER 7 HA SER 7 -15.175 -3.531 0.623 50 HB2 SER 7 2HB SER 7 -13.739 -4.451 3.086 51 HB3 SER 7 3HB SER 7 -13.836 -2.724 2.739 52 HG SER 7 HG SER 7 -16.236 -3.463 2.382 53 H CYS 8 HN CYS 8 -11.899 -4.266 1.805 54 HA CYS 8 HA CYS 8 -10.615 -2.140 0.598 55 HB2 CYS 8 2HB CYS 8 -9.689 -3.772 2.319 56 HB3 CYS 8 3HB CYS 8 -9.338 -4.848 0.970 57 H LYS 9 HN LYS 9 -9.392 -1.898 -1.297 58 HA LYS 9 HA LYS 9 -10.041 -3.816 -3.438 59 HB2 LYS 9 2HB LYS 9 -9.638 -0.840 -3.772 60 HB3 LYS 9 3HB LYS 9 -10.143 -1.982 -5.009 61 HG2 LYS 9 2HG LYS 9 -12.276 -1.806 -4.423 62 HG3 LYS 9 3HG LYS 9 -11.903 -2.052 -2.717 63 HD2 LYS 9 2HD LYS 9 -11.764 0.184 -2.282 64 HD3 LYS 9 3HD LYS 9 -11.209 0.576 -3.912 65 HE2 LYS 9 2HE LYS 9 -13.293 1.343 -4.216 66 HE3 LYS 9 3HE LYS 9 -13.723 -0.358 -4.394 67 HZ1 LYS 9 1HZ LYS 9 -15.212 0.473 -2.827 68 HZ2 LYS 9 2HZ LYS 9 -14.029 1.373 -2.018 69 HZ3 LYS 9 3HZ LYS 9 -14.045 -0.314 -1.887 70 H LEU 10 HN LEU 10 -7.687 -3.613 -1.622 71 HA LEU 10 HA LEU 10 -5.616 -3.284 -3.692 72 HB2 LEU 10 2HB LEU 10 -5.390 -2.792 -0.728 73 HB3 LEU 10 3HB LEU 10 -4.049 -2.727 -1.869 74 HG LEU 10 HG LEU 10 -6.428 -0.935 -2.202 75 HD11 LEU 10 1HD1 LEU 10 -4.024 0.027 -0.740 76 HD12 LEU 10 2HD1 LEU 10 -5.248 -0.878 0.151 77 HD13 LEU 10 3HD1 LEU 10 -5.689 0.608 -0.690 78 HD21 LEU 10 1HD2 LEU 10 -4.213 -1.399 -3.737 79 HD22 LEU 10 2HD2 LEU 10 -3.729 0.012 -2.797 80 HD23 LEU 10 3HD2 LEU 10 -5.196 0.065 -3.777 81 H CYS 11 HN CYS 11 -6.815 -5.166 -0.994 82 HA CYS 11 HA CYS 11 -4.950 -7.322 -1.742 83 HB2 CYS 11 2HB CYS 11 -4.890 -8.051 0.558 84 HB3 CYS 11 3HB CYS 11 -4.472 -6.342 0.500 85 H LEU 12 HN LEU 12 -8.193 -6.342 -1.199 86 HA LEU 12 HA LEU 12 -10.191 -7.469 -1.130 87 HB2 LEU 12 2HB LEU 12 -8.747 -8.975 -3.305 88 HB3 LEU 12 3HB LEU 12 -10.490 -8.985 -3.047 89 HG LEU 12 HG LEU 12 -9.683 -7.526 -4.921 90 HD11 LEU 12 1HD1 LEU 12 -11.068 -5.537 -4.150 91 HD12 LEU 12 2HD1 LEU 12 -11.273 -6.410 -2.631 92 HD13 LEU 12 3HD1 LEU 12 -11.857 -7.115 -4.139 93 HD21 LEU 12 1HD2 LEU 12 -8.450 -5.611 -4.559 94 HD22 LEU 12 2HD2 LEU 12 -7.692 -6.740 -3.435 95 HD23 LEU 12 3HD2 LEU 12 -8.850 -5.548 -2.843 96 H GLY 13 HN GLY 13 -9.690 -8.362 1.017 97 HA2 GLY 13 1HA GLY 13 -9.539 -11.305 0.882 98 HA3 GLY 13 2HA GLY 13 -8.607 -10.412 2.075 99 H GLU 14 HN GLU 14 -11.670 -9.093 1.345 100 HA GLU 14 HA GLU 14 -13.585 -8.867 2.552 101 HB2 GLU 14 2HB GLU 14 -13.772 -11.287 2.003 102 HB3 GLU 14 3HB GLU 14 -12.964 -11.662 3.519 103 HG2 GLU 14 2HG GLU 14 -15.110 -9.950 4.142 104 HG3 GLU 14 3HG GLU 14 -15.726 -11.167 3.025 105 H TYR 15 HN TYR 15 -13.816 -7.604 4.266 106 HA TYR 15 HA TYR 15 -12.891 -8.375 6.870 107 HB2 TYR 15 2HB TYR 15 -11.680 -5.866 5.709 108 HB3 TYR 15 3HB TYR 15 -11.313 -6.624 7.254 109 HD1 TYR 15 1HD TYR 15 -10.135 -8.859 7.257 110 HD2 TYR 15 2HD TYR 15 -10.516 -6.476 3.753 111 HE1 TYR 15 1HE TYR 15 -8.298 -10.115 6.209 112 HE2 TYR 15 2HE TYR 15 -8.682 -7.726 2.695 113 HH TYR 15 HH TYR 15 -6.624 -9.780 4.421 114 HA PRO 16 HA PRO 16 -16.278 -5.845 8.059 115 HB2 PRO 16 2HB PRO 16 -15.557 -5.211 10.599 116 HB3 PRO 16 3HB PRO 16 -16.111 -6.824 10.131 117 HG2 PRO 16 2HG PRO 16 -13.318 -5.820 10.526 118 HG3 PRO 16 3HG PRO 16 -14.039 -7.355 11.044 119 HD2 PRO 16 2HD PRO 16 -12.473 -7.150 8.844 120 HD3 PRO 16 3HD PRO 16 -13.812 -8.311 8.958 121 H VAL 17 HN VAL 17 -16.904 -3.686 8.572 122 HA VAL 17 HA VAL 17 -15.236 -1.694 7.446 123 HB VAL 17 HB VAL 17 -17.909 -1.867 7.928 124 HG11 VAL 17 1HG1 VAL 17 -17.297 -1.256 10.357 125 HG12 VAL 17 2HG1 VAL 17 -17.046 0.371 9.724 126 HG13 VAL 17 3HG1 VAL 17 -18.627 -0.398 9.582 127 HG21 VAL 17 1HG2 VAL 17 -16.407 -0.381 6.378 128 HG22 VAL 17 2HG2 VAL 17 -18.062 0.100 6.747 129 HG23 VAL 17 3HG2 VAL 17 -16.715 0.847 7.606 130 H GLU 18 HN GLU 18 -15.120 -3.134 10.438 131 HA GLU 18 HA GLU 18 -14.179 -0.745 11.838 132 HB2 GLU 18 2HB GLU 18 -14.876 -3.533 12.732 133 HB3 GLU 18 3HB GLU 18 -13.991 -2.430 13.777 134 HG2 GLU 18 2HG GLU 18 -15.827 -1.299 14.312 135 HG3 GLU 18 3HG GLU 18 -16.362 -1.210 12.635 136 H GLN 19 HN GLN 19 -13.012 -3.567 10.250 137 HA GLN 19 HA GLN 19 -10.375 -3.370 11.476 138 HB2 GLN 19 2HB GLN 19 -11.639 -5.318 9.561 139 HB3 GLN 19 3HB GLN 19 -9.908 -5.321 9.866 140 HG2 GLN 19 2HG GLN 19 -11.592 -6.845 11.223 141 HG3 GLN 19 3HG GLN 19 -10.129 -6.176 11.946 142 HE21 GLN 19 1HE2 GLN 19 -10.349 -4.203 13.184 143 HE22 GLN 19 2HE2 GLN 19 -11.825 -3.892 14.027 144 H MET 20 HN MET 20 -11.677 -1.394 9.517 145 HA MET 20 HA MET 20 -9.365 -1.238 7.704 146 HB2 MET 20 2HB MET 20 -11.817 -0.011 6.677 147 HB3 MET 20 3HB MET 20 -10.648 -1.041 5.863 148 HG2 MET 20 2HG MET 20 -11.766 -2.924 7.293 149 HG3 MET 20 3HG MET 20 -13.105 -1.780 7.368 150 HE1 MET 20 1HE MET 20 -10.644 -2.248 4.172 151 HE2 MET 20 2HE MET 20 -10.667 -3.711 5.157 152 HE3 MET 20 3HE MET 20 -11.409 -3.714 3.556 153 H THR 21 HN THR 21 -9.329 1.077 6.677 154 HA THR 21 HA THR 21 -9.974 3.066 8.748 155 HB THR 21 HB THR 21 -7.345 2.748 7.297 156 HG1 THR 21 1HG THR 21 -6.574 2.311 9.280 157 HG21 THR 21 1HG2 THR 21 -6.694 4.834 8.552 158 HG22 THR 21 2HG2 THR 21 -8.409 5.084 8.879 159 HG23 THR 21 3HG2 THR 21 -7.818 5.082 7.217 160 H THR 22 HN THR 22 -10.583 5.074 8.026 161 HA THR 22 HA THR 22 -11.550 5.227 5.334 162 HB THR 22 HB THR 22 -11.471 7.388 7.450 163 HG1 THR 22 1HG THR 22 -13.811 6.007 6.776 164 HG21 THR 22 1HG2 THR 22 -11.826 8.432 5.354 165 HG22 THR 22 2HG2 THR 22 -13.424 8.263 6.083 166 HG23 THR 22 3HG2 THR 22 -12.910 7.150 4.815 167 H ILE 23 HN ILE 23 -11.051 6.948 3.829 168 HA ILE 23 HA ILE 23 -8.231 7.313 3.524 169 HB ILE 23 HB ILE 23 -10.569 8.383 1.945 170 HG12 ILE 23 2HG1 ILE 23 -10.301 5.996 1.717 171 HG13 ILE 23 3HG1 ILE 23 -9.719 6.759 0.243 172 HG21 ILE 23 1HG2 ILE 23 -7.634 8.573 1.281 173 HG22 ILE 23 2HG2 ILE 23 -8.973 9.112 0.269 174 HG23 ILE 23 3HG2 ILE 23 -8.651 9.914 1.806 175 HD11 ILE 23 1HD1 ILE 23 -7.402 6.581 1.224 176 HD12 ILE 23 2HD1 ILE 23 -8.109 5.542 2.460 177 HD13 ILE 23 3HD1 ILE 23 -8.178 5.066 0.764 178 H ALA 24 HN ALA 24 -10.563 9.920 3.060 179 HA ALA 24 HA ALA 24 -10.206 11.540 5.190 180 HB1 ALA 24 1HB ALA 24 -8.266 13.019 3.988 181 HB2 ALA 24 2HB ALA 24 -7.992 11.879 5.305 182 HB3 ALA 24 3HB ALA 24 -7.726 11.378 3.636 183 H GLN 25 HN GLN 25 -9.855 11.613 1.663 184 HA GLN 25 HA GLN 25 -11.507 14.035 1.574 185 HB2 GLN 25 2HB GLN 25 -9.319 13.002 -0.038 186 HB3 GLN 25 3HB GLN 25 -10.703 13.453 -1.024 187 HG2 GLN 25 2HG GLN 25 -9.283 15.342 -0.887 188 HG3 GLN 25 3HG GLN 25 -10.694 15.672 0.117 189 HE21 GLN 25 1HE2 GLN 25 -7.921 16.730 0.157 190 HE22 GLN 25 2HE2 GLN 25 -7.367 16.479 1.774 191 H CYS 26 HN CYS 26 -11.189 10.902 -0.098 192 HA CYS 26 HA CYS 26 -13.857 11.116 -1.182 193 HB2 CYS 26 2HB CYS 26 -13.384 8.907 -2.172 194 HB3 CYS 26 3HB CYS 26 -12.103 10.064 -2.514 195 H GLN 27 HN GLN 27 -12.234 9.382 1.406 196 HA GLN 27 HA GLN 27 -13.114 8.446 3.306 197 HB2 GLN 27 2HB GLN 27 -15.894 8.739 2.206 198 HB3 GLN 27 3HB GLN 27 -15.371 8.707 3.885 199 HG2 GLN 27 2HG GLN 27 -15.203 10.939 1.903 200 HG3 GLN 27 3HG GLN 27 -15.928 10.927 3.511 201 HE21 GLN 27 1HE2 GLN 27 -13.683 9.586 4.743 202 HE22 GLN 27 2HE2 GLN 27 -12.415 10.753 4.858 203 H CYS 28 HN CYS 28 -12.199 6.912 1.214 204 HA CYS 28 HA CYS 28 -14.109 4.839 0.599 205 HB2 CYS 28 2HB CYS 28 -11.179 5.227 0.011 206 HB3 CYS 28 3HB CYS 28 -12.007 3.721 -0.373 207 H ILE 29 HN ILE 29 -12.864 2.497 0.812 208 HA ILE 29 HA ILE 29 -12.213 2.228 3.675 209 HB ILE 29 HB ILE 29 -14.520 1.337 2.730 210 HG12 ILE 29 2HG1 ILE 29 -14.347 -0.543 4.449 211 HG13 ILE 29 3HG1 ILE 29 -12.669 -0.056 4.664 212 HG21 ILE 29 1HG2 ILE 29 -13.326 -0.008 0.973 213 HG22 ILE 29 2HG2 ILE 29 -12.749 -1.052 2.272 214 HG23 ILE 29 3HG2 ILE 29 -14.479 -0.908 1.958 215 HD11 ILE 29 1HD1 ILE 29 -13.976 2.315 4.939 216 HD12 ILE 29 2HD1 ILE 29 -15.125 1.176 5.642 217 HD13 ILE 29 3HD1 ILE 29 -13.478 1.264 6.265 218 H PHE 30 HN PHE 30 -10.308 1.326 4.074 219 HA PHE 30 HA PHE 30 -9.255 -0.760 2.364 220 HB2 PHE 30 2HB PHE 30 -7.820 1.879 2.715 221 HB3 PHE 30 3HB PHE 30 -7.067 0.423 2.073 222 HD1 PHE 30 1HD PHE 30 -9.250 3.223 1.384 223 HD2 PHE 30 2HD PHE 30 -7.803 -0.496 -0.096 224 HE1 PHE 30 1HE PHE 30 -10.033 3.821 -0.871 225 HE2 PHE 30 2HE PHE 30 -8.582 0.096 -2.353 226 HZ PHE 30 HZ PHE 30 -9.699 2.256 -2.744 227 H CYS 31 HN CYS 31 -8.110 -2.208 3.505 228 HA CYS 31 HA CYS 31 -8.019 -2.077 6.312 229 HB2 CYS 31 2HB CYS 31 -6.923 -4.181 6.239 230 HB3 CYS 31 3HB CYS 31 -8.015 -4.162 4.858 231 H THR 32 HN THR 32 -6.596 -1.221 7.678 232 HA THR 32 HA THR 32 -4.745 0.632 7.209 233 HB THR 32 HB THR 32 -3.912 -1.448 9.189 234 HG1 THR 32 1HG THR 32 -6.338 -0.009 9.177 235 HG21 THR 32 1HG2 THR 32 -3.624 1.433 8.777 236 HG22 THR 32 2HG2 THR 32 -2.615 0.314 9.695 237 HG23 THR 32 3HG2 THR 32 -4.066 0.998 10.427 238 H LEU 33 HN LEU 33 -4.007 -2.849 7.185 239 HA LEU 33 HA LEU 33 -1.347 -2.921 6.762 240 HB2 LEU 33 2HB LEU 33 -3.588 -4.584 6.021 241 HB3 LEU 33 3HB LEU 33 -2.308 -4.671 4.812 242 HG LEU 33 HG LEU 33 -1.576 -5.024 7.678 243 HD11 LEU 33 1HD1 LEU 33 -3.622 -6.407 7.273 244 HD12 LEU 33 2HD1 LEU 33 -2.177 -7.326 7.695 245 HD13 LEU 33 3HD1 LEU 33 -2.721 -7.260 6.020 246 HD21 LEU 33 1HD2 LEU 33 0.353 -5.547 6.719 247 HD22 LEU 33 2HD2 LEU 33 -0.362 -5.337 5.120 248 HD23 LEU 33 3HD2 LEU 33 -0.424 -6.911 5.915 249 H CYS 34 HN CYS 34 -3.557 -2.913 3.962 250 HA CYS 34 HA CYS 34 -1.585 -2.192 2.099 251 HB2 CYS 34 2HB CYS 34 -4.550 -1.656 1.856 252 HB3 CYS 34 3HB CYS 34 -3.391 -1.848 0.543 253 H LEU 35 HN LEU 35 -4.263 -0.170 3.317 254 HA LEU 35 HA LEU 35 -3.501 2.240 2.252 255 HB2 LEU 35 2HB LEU 35 -5.593 1.752 3.525 256 HB3 LEU 35 3HB LEU 35 -4.654 1.878 5.012 257 HG LEU 35 HG LEU 35 -4.103 4.252 4.276 258 HD11 LEU 35 1HD1 LEU 35 -6.047 5.151 2.810 259 HD12 LEU 35 2HD1 LEU 35 -6.147 3.486 2.237 260 HD13 LEU 35 3HD1 LEU 35 -4.650 4.398 2.039 261 HD21 LEU 35 1HD2 LEU 35 -5.762 4.977 5.612 262 HD22 LEU 35 2HD2 LEU 35 -6.067 3.254 5.842 263 HD23 LEU 35 3HD2 LEU 35 -7.016 4.170 4.670 264 H LYS 36 HN LYS 36 -1.915 0.443 4.685 265 HA LYS 36 HA LYS 36 -0.431 2.740 5.695 266 HB2 LYS 36 2HB LYS 36 -1.142 1.092 7.327 267 HB3 LYS 36 3HB LYS 36 -0.345 -0.192 6.428 268 HG2 LYS 36 2HG LYS 36 1.734 1.479 6.845 269 HG3 LYS 36 3HG LYS 36 0.769 1.789 8.289 270 HD2 LYS 36 2HD LYS 36 1.876 0.000 9.099 271 HD3 LYS 36 3HD LYS 36 0.664 -0.910 8.195 272 HE2 LYS 36 2HE LYS 36 2.203 -1.734 6.813 273 HE3 LYS 36 3HE LYS 36 2.872 -0.132 6.502 274 HZ1 LYS 36 1HZ LYS 36 3.724 -0.715 9.017 275 HZ2 LYS 36 2HZ LYS 36 4.646 -0.852 7.606 276 HZ3 LYS 36 3HZ LYS 36 3.841 -2.205 8.224 277 H GLN 37 HN GLN 37 0.619 -0.510 4.673 278 HA GLN 37 HA GLN 37 3.225 -0.047 4.142 279 HB2 GLN 37 2HB GLN 37 1.524 -2.109 3.630 280 HB3 GLN 37 3HB GLN 37 1.906 -1.580 1.997 281 HG2 GLN 37 2HG GLN 37 4.282 -1.846 2.451 282 HG3 GLN 37 3HG GLN 37 3.917 -2.344 4.102 283 HE21 GLN 37 1HE2 GLN 37 2.088 -4.143 4.042 284 HE22 GLN 37 2HE2 GLN 37 2.469 -5.479 3.014 285 H TYR 38 HN TYR 38 0.540 1.206 2.366 286 HA TYR 38 HA TYR 38 2.116 1.967 0.064 287 HB2 TYR 38 2HB TYR 38 0.017 1.682 -0.737 288 HB3 TYR 38 3HB TYR 38 -0.731 2.014 0.822 289 HD1 TYR 38 1HD TYR 38 1.231 3.905 -1.747 290 HD2 TYR 38 2HD TYR 38 -2.115 3.849 0.880 291 HE1 TYR 38 1HE TYR 38 0.573 6.136 -2.547 292 HE2 TYR 38 2HE TYR 38 -2.784 6.079 0.086 293 HH TYR 38 HH TYR 38 -2.440 7.643 -1.514 294 H VAL 39 HN VAL 39 0.048 3.921 2.210 295 HA VAL 39 HA VAL 39 1.228 6.372 1.625 296 HB VAL 39 HB VAL 39 0.125 7.266 3.548 297 HG11 VAL 39 1HG1 VAL 39 -1.339 6.624 1.720 298 HG12 VAL 39 2HG1 VAL 39 -1.501 5.001 2.394 299 HG13 VAL 39 3HG1 VAL 39 -2.153 6.388 3.267 300 HG21 VAL 39 1HG2 VAL 39 -0.003 4.416 4.513 301 HG22 VAL 39 2HG2 VAL 39 0.825 5.776 5.270 302 HG23 VAL 39 3HG2 VAL 39 -0.937 5.730 5.228 303 H GLU 40 HN GLU 40 1.873 4.178 4.352 304 HA GLU 40 HA GLU 40 3.622 5.462 5.892 305 HB2 GLU 40 2HB GLU 40 3.015 2.905 5.732 306 HB3 GLU 40 3HB GLU 40 4.548 2.806 4.878 307 HG2 GLU 40 2HG GLU 40 4.772 4.330 7.329 308 HG3 GLU 40 3HG GLU 40 4.166 2.699 7.611 309 H LEU 41 HN LEU 41 4.799 3.703 3.017 310 HA LEU 41 HA LEU 41 7.384 4.712 3.028 311 HB2 LEU 41 2HB LEU 41 5.628 3.388 1.090 312 HB3 LEU 41 3HB LEU 41 6.892 4.379 0.366 313 HG LEU 41 HG LEU 41 7.800 2.228 0.454 314 HD11 LEU 41 1HD1 LEU 41 8.953 3.014 3.041 315 HD12 LEU 41 2HD1 LEU 41 8.998 4.252 1.786 316 HD13 LEU 41 3HD1 LEU 41 9.739 2.678 1.498 317 HD21 LEU 41 1HD2 LEU 41 7.367 1.757 3.339 318 HD22 LEU 41 2HD2 LEU 41 7.349 0.625 1.986 319 HD23 LEU 41 3HD2 LEU 41 5.945 1.646 2.300 320 H LEU 42 HN LEU 42 4.462 6.020 1.529 321 HA LEU 42 HA LEU 42 5.771 8.175 0.212 322 HB2 LEU 42 2HB LEU 42 2.919 7.577 0.918 323 HB3 LEU 42 3HB LEU 42 3.375 9.120 0.200 324 HG LEU 42 HG LEU 42 3.512 6.379 -1.026 325 HD11 LEU 42 1HD1 LEU 42 2.234 7.557 -2.818 326 HD12 LEU 42 2HD1 LEU 42 2.145 8.961 -1.754 327 HD13 LEU 42 3HD1 LEU 42 1.391 7.441 -1.273 328 HD21 LEU 42 1HD2 LEU 42 4.946 8.893 -1.819 329 HD22 LEU 42 2HD2 LEU 42 4.499 7.670 -3.008 330 HD23 LEU 42 3HD2 LEU 42 5.578 7.253 -1.677 331 H ILE 43 HN ILE 43 3.376 8.420 2.839 332 HA ILE 43 HA ILE 43 3.747 10.946 3.669 333 HB ILE 43 HB ILE 43 2.831 8.532 4.942 334 HG12 ILE 43 2HG1 ILE 43 1.417 10.263 6.177 335 HG13 ILE 43 3HG1 ILE 43 2.276 11.484 5.243 336 HG21 ILE 43 1HG2 ILE 43 3.230 9.151 7.273 337 HG22 ILE 43 2HG2 ILE 43 4.741 8.828 6.426 338 HG23 ILE 43 3HG2 ILE 43 4.247 10.491 6.744 339 HD11 ILE 43 1HD1 ILE 43 1.036 9.261 3.739 340 HD12 ILE 43 2HD1 ILE 43 -0.039 10.454 4.468 341 HD13 ILE 43 3HD1 ILE 43 1.200 10.967 3.322 342 H LYS 44 HN LYS 44 6.010 8.331 4.092 343 HA LYS 44 HA LYS 44 7.663 9.621 6.023 344 HB2 LYS 44 2HB LYS 44 7.648 7.126 4.548 345 HB3 LYS 44 3HB LYS 44 9.263 7.820 4.601 346 HG2 LYS 44 2HG LYS 44 8.772 6.241 6.449 347 HG3 LYS 44 3HG LYS 44 9.250 7.853 6.988 348 HD2 LYS 44 2HD LYS 44 7.438 7.649 8.320 349 HD3 LYS 44 3HD LYS 44 6.573 8.163 6.869 350 HE2 LYS 44 2HE LYS 44 5.413 6.270 6.965 351 HE3 LYS 44 3HE LYS 44 6.902 5.393 6.617 352 HZ1 LYS 44 1HZ LYS 44 6.730 6.132 9.364 353 HZ2 LYS 44 2HZ LYS 44 6.961 4.604 8.676 354 HZ3 LYS 44 3HZ LYS 44 5.395 5.204 8.896 355 H GLU 45 HN GLU 45 7.777 9.312 2.494 356 HA GLU 45 HA GLU 45 10.221 10.748 2.205 357 HB2 GLU 45 2HB GLU 45 8.508 9.271 0.530 358 HB3 GLU 45 3HB GLU 45 8.560 10.891 -0.146 359 HG2 GLU 45 2HG GLU 45 10.677 10.676 -0.835 360 HG3 GLU 45 3HG GLU 45 11.172 9.822 0.626 361 H GLY 46 HN GLY 46 6.950 11.671 1.107 362 HA2 GLY 46 1HA GLY 46 5.850 13.705 1.426 363 HA3 GLY 46 2HA GLY 46 7.284 14.327 2.229 364 H LEU 47 HN LEU 47 8.883 13.308 -0.162 365 HA LEU 47 HA LEU 47 9.403 15.603 -1.475 366 HB2 LEU 47 2HB LEU 47 10.528 14.375 -3.036 367 HB3 LEU 47 3HB LEU 47 10.344 13.176 -1.758 368 HG LEU 47 HG LEU 47 8.446 13.348 -4.085 369 HD11 LEU 47 1HD1 LEU 47 10.899 11.609 -3.880 370 HD12 LEU 47 2HD1 LEU 47 10.759 13.037 -4.905 371 HD13 LEU 47 3HD1 LEU 47 9.725 11.639 -5.196 372 HD21 LEU 47 1HD2 LEU 47 9.074 10.819 -2.706 373 HD22 LEU 47 2HD2 LEU 47 7.532 11.444 -3.290 374 HD23 LEU 47 3HD2 LEU 47 8.194 12.018 -1.759 375 H GLU 48 HN GLU 48 6.849 13.303 -2.359 376 HA GLU 48 HA GLU 48 5.110 15.310 -3.304 377 HB2 GLU 48 2HB GLU 48 5.190 15.045 -5.655 378 HB3 GLU 48 3HB GLU 48 6.856 15.271 -5.143 379 HG2 GLU 48 2HG GLU 48 7.475 13.274 -5.901 380 HG3 GLU 48 3HG GLU 48 6.065 12.474 -5.207 381 H THR 49 HN THR 49 3.975 13.579 -5.419 382 HA THR 49 HA THR 49 2.708 11.668 -5.687 383 HB THR 49 HB THR 49 3.188 10.857 -2.834 384 HG1 THR 49 1HG THR 49 4.921 10.319 -5.036 385 HG21 THR 49 1HG2 THR 49 1.756 9.306 -3.685 386 HG22 THR 49 2HG2 THR 49 3.263 8.602 -4.276 387 HG23 THR 49 3HG2 THR 49 2.269 9.587 -5.348 388 H ALA 50 HN ALA 50 2.501 13.535 -2.717 389 HA ALA 50 HA ALA 50 0.742 14.383 -1.548 390 HB1 ALA 50 1HB ALA 50 -0.494 14.107 -4.274 391 HB2 ALA 50 2HB ALA 50 -1.349 14.830 -2.911 392 HB3 ALA 50 3HB ALA 50 0.144 15.559 -3.502 393 H ILE 51 HN ILE 51 1.039 11.316 -2.152 394 HA ILE 51 HA ILE 51 -0.165 9.376 -1.800 395 HB ILE 51 HB ILE 51 -0.832 11.009 0.650 396 HG12 ILE 51 2HG1 ILE 51 1.084 9.869 1.654 397 HG13 ILE 51 3HG1 ILE 51 1.359 8.980 0.161 398 HG21 ILE 51 1HG2 ILE 51 -2.305 9.023 0.287 399 HG22 ILE 51 2HG2 ILE 51 -0.864 8.011 0.365 400 HG23 ILE 51 3HG2 ILE 51 -1.350 8.963 1.767 401 HD11 ILE 51 1HD1 ILE 51 1.343 11.932 -0.007 402 HD12 ILE 51 2HD1 ILE 51 2.714 11.165 0.795 403 HD13 ILE 51 3HD1 ILE 51 2.323 10.747 -0.872 404 H SER 52 HN SER 52 -1.716 9.437 -3.456 405 HA SER 52 HA SER 52 -4.330 10.581 -2.792 406 HB2 SER 52 2HB SER 52 -4.197 9.330 -5.399 407 HB3 SER 52 3HB SER 52 -4.528 11.013 -4.984 408 HG SER 52 HG SER 52 -2.651 10.903 -6.213 409 H CYS 53 HN CYS 53 -6.269 9.318 -3.188 410 HA CYS 53 HA CYS 53 -6.597 7.076 -1.788 411 HB2 CYS 53 2HB CYS 53 -8.450 8.212 -2.913 412 HB3 CYS 53 3HB CYS 53 -7.901 7.595 -4.468 413 HA PRO 54 HA PRO 54 -4.132 3.889 -3.594 414 HB2 PRO 54 2HB PRO 54 -5.254 1.780 -2.306 415 HB3 PRO 54 3HB PRO 54 -4.157 2.915 -1.513 416 HG2 PRO 54 2HG PRO 54 -7.148 2.816 -1.451 417 HG3 PRO 54 3HG PRO 54 -6.010 3.105 -0.122 418 HD2 PRO 54 2HD PRO 54 -7.344 5.110 -1.360 419 HD3 PRO 54 3HD PRO 54 -5.712 5.318 -0.691 420 H ASP 55 HN ASP 55 -7.266 4.536 -4.351 421 HA ASP 55 HA ASP 55 -7.741 2.086 -5.869 422 HB2 ASP 55 2HB ASP 55 -9.555 3.231 -4.505 423 HB3 ASP 55 3HB ASP 55 -9.534 4.509 -5.717 424 H ALA 56 HN ALA 56 -7.784 1.978 -8.075 425 HA ALA 56 HA ALA 56 -6.569 4.240 -9.483 426 HB1 ALA 56 1HB ALA 56 -5.682 2.755 -10.989 427 HB2 ALA 56 2HB ALA 56 -5.735 1.757 -9.535 428 HB3 ALA 56 3HB ALA 56 -6.984 1.585 -10.768 429 H ALA 57 HN ALA 57 -9.419 4.139 -8.724 430 HA ALA 57 HA ALA 57 -10.526 5.141 -11.117 431 HB1 ALA 57 1HB ALA 57 -12.202 2.851 -10.539 432 HB2 ALA 57 2HB ALA 57 -11.550 3.414 -12.078 433 HB3 ALA 57 3HB ALA 57 -10.579 2.373 -11.037 434 H CYS 58 HN CYS 58 -10.313 6.056 -8.495 435 HA CYS 58 HA CYS 58 -12.816 5.695 -7.122 436 HB2 CYS 58 2HB CYS 58 -10.598 6.180 -6.002 437 HB3 CYS 58 3HB CYS 58 -10.737 7.826 -6.610 438 HA PRO 59 HA PRO 59 -15.081 8.761 -9.358 439 HB2 PRO 59 2HB PRO 59 -17.149 9.013 -7.617 440 HB3 PRO 59 3HB PRO 59 -16.962 7.623 -8.691 441 HG2 PRO 59 2HG PRO 59 -16.255 7.888 -5.794 442 HG3 PRO 59 3HG PRO 59 -17.043 6.540 -6.635 443 HD2 PRO 59 2HD PRO 59 -14.412 6.519 -5.993 444 HD3 PRO 59 3HD PRO 59 -15.048 5.712 -7.440 445 H LYS 60 HN LYS 60 -13.738 9.180 -6.230 446 HA LYS 60 HA LYS 60 -14.124 12.093 -6.450 447 HB2 LYS 60 2HB LYS 60 -14.066 10.406 -3.943 448 HB3 LYS 60 3HB LYS 60 -14.030 12.163 -3.953 449 HG2 LYS 60 2HG LYS 60 -16.218 11.857 -5.389 450 HG3 LYS 60 3HG LYS 60 -16.266 10.304 -4.551 451 HD2 LYS 60 2HD LYS 60 -17.023 11.281 -2.702 452 HD3 LYS 60 3HD LYS 60 -15.646 12.386 -2.683 453 HE2 LYS 60 2HE LYS 60 -17.740 13.622 -2.750 454 HE3 LYS 60 3HE LYS 60 -16.823 13.871 -4.234 455 HZ1 LYS 60 1HZ LYS 60 -19.437 12.901 -3.947 456 HZ2 LYS 60 2HZ LYS 60 -18.494 11.663 -4.610 457 HZ3 LYS 60 3HZ LYS 60 -18.569 13.171 -5.374 458 H GLN 61 HN GLN 61 -11.965 9.485 -6.192 459 HA GLN 61 HA GLN 61 -9.725 9.336 -5.626 460 HB2 GLN 61 2HB GLN 61 -9.366 11.797 -7.283 461 HB3 GLN 61 3HB GLN 61 -8.453 10.294 -7.305 462 HG2 GLN 61 2HG GLN 61 -10.085 9.186 -8.561 463 HG3 GLN 61 3HG GLN 61 -11.302 10.416 -8.224 464 HE21 GLN 61 1HE2 GLN 61 -10.262 12.720 -8.864 465 HE22 GLN 61 2HE2 GLN 61 -9.735 12.775 -10.508 466 H GLY 62 HN GLY 62 -10.301 10.103 -3.370 467 HA2 GLY 62 1HA GLY 62 -9.562 12.824 -2.721 468 HA3 GLY 62 2HA GLY 62 -10.051 11.574 -1.587 469 H HIS 63 HN HIS 63 -7.828 13.469 -1.422 470 HA HIS 63 HA HIS 63 -5.497 11.709 -1.624 471 HB2 HIS 63 2HB HIS 63 -5.764 14.680 -1.157 472 HB3 HIS 63 3HB HIS 63 -4.229 13.824 -1.044 473 HD1 HIS 63 1HD HIS 63 -6.401 15.501 -3.415 474 HD2 HIS 63 2HD HIS 63 -3.483 12.550 -3.588 475 HE1 HIS 63 1HE HIS 63 -5.720 15.371 -5.831 476 H LEU 64 HN LEU 64 -3.885 11.941 0.225 477 HA LEU 64 HA LEU 64 -5.354 11.759 2.770 478 HB2 LEU 64 2HB LEU 64 -2.849 10.387 1.823 479 HB3 LEU 64 3HB LEU 64 -3.382 10.368 3.502 480 HG LEU 64 HG LEU 64 -3.913 8.333 2.045 481 HD11 LEU 64 1HD1 LEU 64 -5.186 7.955 3.821 482 HD12 LEU 64 2HD1 LEU 64 -6.499 8.810 3.013 483 HD13 LEU 64 3HD1 LEU 64 -5.408 9.684 4.088 484 HD21 LEU 64 1HD2 LEU 64 -4.759 9.867 0.169 485 HD22 LEU 64 2HD2 LEU 64 -6.235 9.993 1.124 486 HD23 LEU 64 3HD2 LEU 64 -5.694 8.419 0.542 487 H GLN 65 HN GLN 65 -4.079 12.334 4.721 488 HA GLN 65 HA GLN 65 -2.696 14.850 4.257 489 HB2 GLN 65 2HB GLN 65 -2.915 14.009 7.036 490 HB3 GLN 65 3HB GLN 65 -3.500 15.473 6.256 491 HG2 GLN 65 2HG GLN 65 -5.452 14.512 6.983 492 HG3 GLN 65 3HG GLN 65 -5.359 13.924 5.323 493 HE21 GLN 65 1HE2 GLN 65 -3.099 12.127 6.218 494 HE22 GLN 65 2HE2 GLN 65 -3.897 10.787 6.961 495 H GLU 66 HN GLU 66 -0.726 15.356 5.508 496 HA GLU 66 HA GLU 66 1.150 13.134 5.316 497 HB2 GLU 66 2HB GLU 66 1.351 16.092 5.304 498 HB3 GLU 66 3HB GLU 66 2.712 15.216 5.991 499 HG2 GLU 66 2HG GLU 66 2.168 13.870 3.636 500 HG3 GLU 66 3HG GLU 66 1.938 15.569 3.228 501 H ASN 67 HN ASN 67 -0.265 15.272 7.700 502 HA ASN 67 HA ASN 67 1.460 14.325 9.823 503 HB2 ASN 67 2HB ASN 67 0.786 16.165 10.919 504 HB3 ASN 67 3HB ASN 67 -0.022 16.635 9.426 505 HD21 ASN 67 1HD2 ASN 67 -2.233 16.404 9.246 506 HD22 ASN 67 2HD2 ASN 67 -3.250 16.096 10.609 507 H GLU 68 HN GLU 68 -2.028 14.181 9.105 508 HA GLU 68 HA GLU 68 -2.804 12.546 11.203 509 HB2 GLU 68 2HB GLU 68 -3.923 13.409 8.674 510 HB3 GLU 68 3HB GLU 68 -4.379 11.750 9.032 511 HG2 GLU 68 2HG GLU 68 -4.644 13.753 11.201 512 HG3 GLU 68 3HG GLU 68 -5.796 13.820 9.869 513 H ILE 69 HN ILE 69 -2.141 11.474 7.862 514 HA ILE 69 HA ILE 69 -2.281 8.760 8.238 515 HB ILE 69 HB ILE 69 -0.569 10.400 6.395 516 HG12 ILE 69 2HG1 ILE 69 -3.203 9.131 6.339 517 HG13 ILE 69 3HG1 ILE 69 -2.562 10.434 5.345 518 HG21 ILE 69 1HG2 ILE 69 0.701 8.380 6.875 519 HG22 ILE 69 2HG2 ILE 69 -0.707 7.390 6.493 520 HG23 ILE 69 3HG2 ILE 69 0.070 8.343 5.229 521 HD11 ILE 69 1HD1 ILE 69 -3.211 8.452 4.045 522 HD12 ILE 69 2HD1 ILE 69 -1.499 8.846 3.881 523 HD13 ILE 69 3HD1 ILE 69 -2.002 7.510 4.917 524 H GLU 70 HN GLU 70 0.793 10.577 8.208 525 HA GLU 70 HA GLU 70 2.438 8.562 9.125 526 HB2 GLU 70 2HB GLU 70 4.050 10.208 9.565 527 HB3 GLU 70 3HB GLU 70 3.055 10.907 8.296 528 HG2 GLU 70 2HG GLU 70 1.940 12.327 9.836 529 HG3 GLU 70 3HG GLU 70 2.650 11.490 11.215 530 H CYS 71 HN CYS 71 -0.009 10.216 10.822 531 HA CYS 71 HA CYS 71 1.064 9.899 13.457 532 HB2 CYS 71 2HB CYS 71 -0.672 11.183 14.069 533 HB3 CYS 71 3HB CYS 71 -1.025 11.335 12.351 534 HG CYS 71 HG CYS 71 -3.020 10.303 14.581 535 H MET 72 HN MET 72 -0.936 7.993 11.317 536 HA MET 72 HA MET 72 -1.605 6.082 13.395 537 HB2 MET 72 2HB MET 72 -3.173 5.263 11.965 538 HB3 MET 72 3HB MET 72 -2.975 6.846 11.226 539 HG2 MET 72 2HG MET 72 -1.318 5.839 9.668 540 HG3 MET 72 3HG MET 72 -1.717 4.262 10.346 541 HE1 MET 72 1HE MET 72 -1.977 5.898 7.325 542 HE2 MET 72 2HE MET 72 -2.026 4.137 7.384 543 HE3 MET 72 3HE MET 72 -3.341 5.030 6.619 544 H VAL 73 HN VAL 73 1.145 6.679 11.866 545 HA VAL 73 HA VAL 73 1.964 3.865 11.935 546 HB VAL 73 HB VAL 73 3.466 4.403 9.919 547 HG11 VAL 73 1HG1 VAL 73 1.716 2.791 9.739 548 HG12 VAL 73 2HG1 VAL 73 0.485 4.054 9.655 549 HG13 VAL 73 3HG1 VAL 73 1.623 3.841 8.325 550 HG21 VAL 73 1HG2 VAL 73 3.318 6.642 9.480 551 HG22 VAL 73 2HG2 VAL 73 2.076 6.041 8.381 552 HG23 VAL 73 3HG2 VAL 73 1.617 6.733 9.937 553 H ALA 74 HN ALA 74 3.283 7.125 11.317 554 HA ALA 74 HA ALA 74 5.609 6.440 12.963 555 HB1 ALA 74 1HB ALA 74 6.835 7.831 11.690 556 HB2 ALA 74 2HB ALA 74 5.511 7.636 10.541 557 HB3 ALA 74 3HB ALA 74 5.557 9.045 11.600 558 H ALA 75 HN ALA 75 3.312 6.790 14.427 559 HA ALA 75 HA ALA 75 2.577 9.259 15.328 560 HB1 ALA 75 1HB ALA 75 1.360 7.645 16.361 561 HB2 ALA 75 2HB ALA 75 2.753 6.588 16.598 562 HB3 ALA 75 3HB ALA 75 2.508 7.975 17.658
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