NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22948 | 2js4 | 15353 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -28.437 -3.162 -20.408 2 2H MET 1 2H MET 1 -29.123 -1.621 -20.355 3 3H MET 1 3H MET 1 -28.457 -2.304 -18.950 4 HA MET 1 HA MET 1 -27.000 -1.473 -21.390 5 1HB MET 1 2HB MET 1 -26.999 -0.423 -18.550 6 2HB MET 1 1HB MET 1 -25.855 0.073 -19.789 7 1HG MET 1 2HG MET 1 -27.664 0.975 -21.134 8 2HG MET 1 1HG MET 1 -28.838 0.442 -19.929 9 1HE MET 1 1HE MET 1 -29.832 2.920 -19.863 10 2HE MET 1 2HE MET 1 -28.633 3.431 -21.053 11 3HE MET 1 3HE MET 1 -28.850 4.352 -19.561 12 H GLU 2 H GLU 2 -24.847 -2.010 -21.500 13 HA GLU 2 HA GLU 2 -24.033 -4.169 -19.667 14 1HB GLU 2 2HB GLU 2 -22.952 -3.568 -22.429 15 2HB GLU 2 1HB GLU 2 -22.570 -4.964 -21.431 16 1HG GLU 2 2HG GLU 2 -25.197 -4.322 -22.739 17 2HG GLU 2 1HG GLU 2 -24.095 -5.641 -23.128 18 H SER 3 H SER 3 -22.366 -3.832 -18.352 19 HA SER 3 HA SER 3 -20.859 -1.341 -18.674 20 1HB SER 3 2HB SER 3 -22.053 -1.758 -16.516 21 2HB SER 3 1HB SER 3 -21.023 -3.167 -16.261 22 HG SER 3 HG SER 3 -20.406 -1.006 -15.307 23 H ARG 4 H ARG 4 -18.662 -1.307 -18.856 24 HA ARG 4 HA ARG 4 -17.330 -3.916 -19.160 25 1HB ARG 4 2HB ARG 4 -16.419 -1.253 -20.286 26 2HB ARG 4 1HB ARG 4 -15.764 -2.843 -20.662 27 1HG ARG 4 2HG ARG 4 -17.855 -3.473 -21.733 28 2HG ARG 4 1HG ARG 4 -18.555 -1.911 -21.315 29 1HD ARG 4 2HD ARG 4 -16.711 -0.851 -22.667 30 2HD ARG 4 1HD ARG 4 -16.296 -2.471 -23.226 31 HE ARG 4 HE ARG 4 -19.062 -1.934 -23.597 32 1HH1 ARG 4 1HH1 ARG 4 -15.912 -1.219 -24.989 33 2HH1 ARG 4 2HH1 ARG 4 -16.552 -0.953 -26.585 34 1HH2 ARG 4 1HH2 ARG 4 -19.885 -1.568 -25.678 35 2HH2 ARG 4 2HH2 ARG 4 -18.808 -1.134 -26.978 36 H LEU 5 H LEU 5 -15.606 -0.916 -18.901 37 HA LEU 5 HA LEU 5 -14.400 0.127 -17.315 38 1HB LEU 5 2HB LEU 5 -16.342 -1.349 -15.586 39 2HB LEU 5 1HB LEU 5 -15.019 -0.458 -14.861 40 HG LEU 5 HG LEU 5 -15.844 1.600 -16.014 41 1HD1 LEU 5 1HD1 LEU 5 -18.229 -0.117 -16.679 42 2HD1 LEU 5 2HD1 LEU 5 -17.081 0.556 -17.833 43 3HD1 LEU 5 3HD1 LEU 5 -18.117 1.628 -16.893 44 1HD2 LEU 5 1HD2 LEU 5 -17.818 0.242 -14.184 45 2HD2 LEU 5 2HD2 LEU 5 -17.697 1.977 -14.485 46 3HD2 LEU 5 3HD2 LEU 5 -16.379 1.127 -13.679 47 H LEU 6 H LEU 6 -12.506 -0.034 -16.262 48 HA LEU 6 HA LEU 6 -11.601 -2.719 -15.434 49 1HB LEU 6 2HB LEU 6 -10.028 -0.354 -16.472 50 2HB LEU 6 1HB LEU 6 -9.271 -1.673 -15.604 51 HG LEU 6 HG LEU 6 -8.897 -2.086 -17.899 52 1HD1 LEU 6 1HD1 LEU 6 -9.486 -4.068 -16.656 53 2HD1 LEU 6 2HD1 LEU 6 -10.103 -4.191 -18.303 54 3HD1 LEU 6 3HD1 LEU 6 -11.199 -3.798 -16.975 55 1HD2 LEU 6 1HD2 LEU 6 -10.559 -0.575 -18.830 56 2HD2 LEU 6 2HD2 LEU 6 -11.848 -1.683 -18.363 57 3HD2 LEU 6 3HD2 LEU 6 -10.667 -2.168 -19.581 58 H ASP 7 H ASP 7 -13.198 -0.585 -14.116 59 HA ASP 7 HA ASP 7 -11.399 0.459 -12.072 60 1HB ASP 7 2HB ASP 7 -12.925 2.024 -13.253 61 2HB ASP 7 1HB ASP 7 -14.299 1.120 -12.628 62 H ILE 8 H ILE 8 -11.077 -1.223 -10.703 63 HA ILE 8 HA ILE 8 -13.416 -2.590 -9.594 64 HB ILE 8 HB ILE 8 -11.685 -4.133 -8.567 65 1HG1 ILE 8 2HG1 ILE 8 -9.883 -2.764 -10.574 66 2HG1 ILE 8 1HG1 ILE 8 -9.751 -2.605 -8.827 67 1HG2 ILE 8 1HG2 ILE 8 -13.031 -4.763 -10.479 68 2HG2 ILE 8 2HG2 ILE 8 -11.391 -5.390 -10.650 69 3HG2 ILE 8 3HG2 ILE 8 -11.892 -3.970 -11.569 70 1HD1 ILE 8 1HD1 ILE 8 -9.392 -5.141 -10.405 71 2HD1 ILE 8 2HD1 ILE 8 -9.267 -4.991 -8.651 72 3HD1 ILE 8 3HD1 ILE 8 -8.110 -4.160 -9.693 73 H LEU 9 H LEU 9 -10.548 -0.772 -8.528 74 HA LEU 9 HA LEU 9 -11.745 -0.669 -5.844 75 1HB LEU 9 2HB LEU 9 -9.078 -1.572 -6.660 76 2HB LEU 9 1HB LEU 9 -9.066 -0.405 -5.352 77 HG LEU 9 HG LEU 9 -9.045 -2.587 -4.386 78 1HD1 LEU 9 1HD1 LEU 9 -11.102 -2.572 -3.054 79 2HD1 LEU 9 2HD1 LEU 9 -11.809 -1.409 -4.174 80 3HD1 LEU 9 3HD1 LEU 9 -10.402 -0.960 -3.211 81 1HD2 LEU 9 1HD2 LEU 9 -9.876 -3.878 -6.257 82 2HD2 LEU 9 2HD2 LEU 9 -11.485 -3.189 -6.045 83 3HD2 LEU 9 3HD2 LEU 9 -10.804 -4.239 -4.802 84 H VAL 10 H VAL 10 -12.295 1.308 -5.365 85 HA VAL 10 HA VAL 10 -10.505 3.514 -6.130 86 HB VAL 10 HB VAL 10 -12.429 5.030 -5.699 87 1HG1 VAL 10 1HG1 VAL 10 -12.949 2.902 -7.772 88 2HG1 VAL 10 2HG1 VAL 10 -11.910 4.314 -7.968 89 3HG1 VAL 10 3HG1 VAL 10 -13.648 4.522 -7.752 90 1HG2 VAL 10 1HG2 VAL 10 -13.706 3.628 -4.174 91 2HG2 VAL 10 2HG2 VAL 10 -14.007 2.465 -5.464 92 3HG2 VAL 10 3HG2 VAL 10 -14.698 4.084 -5.559 93 H CYS 11 H CYS 11 -10.117 5.153 -4.522 94 HA CYS 11 HA CYS 11 -9.457 4.208 -1.985 95 1HB CYS 11 2HB CYS 11 -8.447 6.215 -2.914 96 2HB CYS 11 1HB CYS 11 -10.004 7.036 -2.922 97 HG CYS 11 HG CYS 11 -7.813 7.453 -0.743 98 HA PRO 12 HA PRO 12 -13.485 3.988 -0.111 99 1HB PRO 12 2HB PRO 12 -12.658 3.590 2.451 100 2HB PRO 12 1HB PRO 12 -12.643 2.325 1.219 101 1HG PRO 12 2HG PRO 12 -10.393 4.041 2.198 102 2HG PRO 12 1HG PRO 12 -10.403 2.304 1.839 103 1HD PRO 12 2HD PRO 12 -9.397 4.135 0.127 104 2HD PRO 12 1HD PRO 12 -10.179 2.643 -0.428 105 H VAL 13 H VAL 13 -11.139 6.389 0.499 106 HA VAL 13 HA VAL 13 -12.994 7.880 2.226 107 HB VAL 13 HB VAL 13 -10.055 8.409 1.763 108 1HG1 VAL 13 1HG1 VAL 13 -10.238 9.898 3.691 109 2HG1 VAL 13 2HG1 VAL 13 -11.968 9.568 3.786 110 3HG1 VAL 13 3HG1 VAL 13 -11.305 10.409 2.385 111 1HG2 VAL 13 1HG2 VAL 13 -9.711 7.509 4.012 112 2HG2 VAL 13 2HG2 VAL 13 -10.384 6.292 2.929 113 3HG2 VAL 13 3HG2 VAL 13 -11.423 7.094 4.109 114 H CYS 14 H CYS 14 -10.743 8.415 -0.492 115 HA CYS 14 HA CYS 14 -12.044 10.963 -1.047 116 1HB CYS 14 2HB CYS 14 -9.524 10.649 -0.957 117 2HB CYS 14 1HB CYS 14 -9.670 9.769 -2.473 118 HG CYS 14 HG CYS 14 -9.215 12.910 -2.080 119 H LYS 15 H LYS 15 -12.325 7.775 -2.034 120 HA LYS 15 HA LYS 15 -13.292 6.672 -3.749 121 1HB LYS 15 2HB LYS 15 -14.643 9.343 -4.133 122 2HB LYS 15 1HB LYS 15 -15.129 7.856 -4.940 123 1HG LYS 15 2HG LYS 15 -15.032 8.210 -1.954 124 2HG LYS 15 1HG LYS 15 -16.479 8.406 -2.938 125 1HD LYS 15 2HD LYS 15 -16.316 6.090 -3.670 126 2HD LYS 15 1HD LYS 15 -14.829 5.892 -2.740 127 1HE LYS 15 2HE LYS 15 -16.025 6.273 -0.676 128 2HE LYS 15 1HE LYS 15 -17.511 6.610 -1.564 129 1HZ LYS 15 1HZ LYS 15 -16.075 4.005 -1.604 130 2HZ LYS 15 2HZ LYS 15 -17.573 4.345 -2.326 131 3HZ LYS 15 3HZ LYS 15 -17.426 4.349 -0.640 132 H GLY 16 H GLY 16 -10.825 8.433 -4.238 133 1HA GLY 16 2HA GLY 16 -10.921 8.737 -7.121 134 2HA GLY 16 1HA GLY 16 -9.524 9.026 -6.085 135 H ARG 17 H ARG 17 -9.831 7.450 -8.603 136 HA ARG 17 HA ARG 17 -9.775 4.693 -7.972 137 1HB ARG 17 2HB ARG 17 -10.264 5.529 -10.226 138 2HB ARG 17 1HB ARG 17 -8.624 6.148 -10.361 139 1HG ARG 17 2HG ARG 17 -7.714 3.938 -10.362 140 2HG ARG 17 1HG ARG 17 -9.290 3.234 -9.986 141 1HD ARG 17 2HD ARG 17 -8.611 4.766 -12.494 142 2HD ARG 17 1HD ARG 17 -8.710 3.009 -12.369 143 HE ARG 17 HE ARG 17 -11.118 3.472 -11.634 144 1HH1 ARG 17 1HH1 ARG 17 -9.353 5.495 -13.892 145 2HH1 ARG 17 2HH1 ARG 17 -10.779 6.058 -14.706 146 1HH2 ARG 17 1HH2 ARG 17 -12.985 4.185 -12.717 147 2HH2 ARG 17 2HH2 ARG 17 -12.859 5.293 -14.052 148 H LEU 18 H LEU 18 -8.137 3.315 -7.509 149 HA LEU 18 HA LEU 18 -5.765 4.468 -6.381 150 1HB LEU 18 2HB LEU 18 -6.570 1.579 -6.743 151 2HB LEU 18 1HB LEU 18 -5.205 2.135 -5.794 152 HG LEU 18 HG LEU 18 -8.103 2.761 -5.220 153 1HD1 LEU 18 1HD1 LEU 18 -7.536 0.420 -4.814 154 2HD1 LEU 18 2HD1 LEU 18 -7.840 1.286 -3.308 155 3HD1 LEU 18 3HD1 LEU 18 -6.185 0.924 -3.799 156 1HD2 LEU 18 1HD2 LEU 18 -5.579 3.426 -3.707 157 2HD2 LEU 18 2HD2 LEU 18 -7.216 3.647 -3.089 158 3HD2 LEU 18 3HD2 LEU 18 -6.672 4.565 -4.493 159 H GLU 19 H GLU 19 -3.627 4.042 -6.986 160 HA GLU 19 HA GLU 19 -3.320 3.426 -9.851 161 1HB GLU 19 2HB GLU 19 -2.877 5.800 -8.868 162 2HB GLU 19 1HB GLU 19 -1.383 5.095 -8.283 163 1HG GLU 19 2HG GLU 19 -2.111 4.843 -11.161 164 2HG GLU 19 1HG GLU 19 -1.459 6.361 -10.552 165 H PHE 20 H PHE 20 -2.531 1.479 -10.058 166 HA PHE 20 HA PHE 20 -1.205 0.182 -7.848 167 1HB PHE 20 2HB PHE 20 -2.904 -1.067 -9.014 168 2HB PHE 20 1HB PHE 20 -2.078 -0.844 -10.551 169 HD1 PHE 20 2HD PHE 20 -1.421 -2.240 -7.150 170 HD2 PHE 20 1HD PHE 20 -0.786 -2.582 -11.342 171 HE1 PHE 20 2HE PHE 20 -0.191 -4.341 -6.789 172 HE2 PHE 20 1HE PHE 20 0.446 -4.681 -10.989 173 HZ PHE 20 HZ PHE 20 0.745 -5.565 -8.711 174 H GLN 21 H GLN 21 0.870 0.582 -7.567 175 HA GLN 21 HA GLN 21 2.634 0.530 -9.906 176 1HB GLN 21 2HB GLN 21 2.963 1.700 -7.150 177 2HB GLN 21 1HB GLN 21 4.310 1.511 -8.256 178 1HG GLN 21 2HG GLN 21 3.141 2.906 -9.894 179 2HG GLN 21 1HG GLN 21 1.839 3.138 -8.728 180 1HE2 GLN 21 1HE2 GLN 21 2.156 5.320 -8.738 181 2HE2 GLN 21 2HE2 GLN 21 3.487 6.059 -7.906 182 H ARG 22 H ARG 22 4.817 -0.459 -9.446 183 HA ARG 22 HA ARG 22 4.428 -2.927 -7.886 184 1HB ARG 22 2HB ARG 22 5.834 -2.601 -10.544 185 2HB ARG 22 1HB ARG 22 5.794 -4.086 -9.603 186 1HG ARG 22 2HG ARG 22 3.364 -4.169 -9.838 187 2HG ARG 22 1HG ARG 22 3.409 -2.681 -10.786 188 1HD ARG 22 2HD ARG 22 3.248 -4.611 -12.244 189 2HD ARG 22 1HD ARG 22 4.800 -3.804 -12.461 190 HE ARG 22 HE ARG 22 4.778 -6.022 -10.587 191 1HH1 ARG 22 1HH1 ARG 22 5.438 -4.910 -13.846 192 2HH1 ARG 22 2HH1 ARG 22 6.397 -6.302 -14.251 193 1HH2 ARG 22 1HH2 ARG 22 6.046 -7.832 -11.115 194 2HH2 ARG 22 2HH2 ARG 22 6.758 -7.966 -12.700 195 H ALA 23 H ALA 23 5.733 -0.349 -7.200 196 HA ALA 23 HA ALA 23 8.570 -0.876 -7.172 197 1HB ALA 23 1HB ALA 23 6.962 1.189 -5.662 198 2HB ALA 23 2HB ALA 23 7.743 1.426 -7.224 199 3HB ALA 23 3HB ALA 23 8.719 1.139 -5.784 200 H GLN 24 H GLN 24 6.314 -0.308 -4.484 201 HA GLN 24 HA GLN 24 7.545 -2.591 -3.074 202 1HB GLN 24 2HB GLN 24 6.285 -0.049 -2.099 203 2HB GLN 24 1HB GLN 24 6.249 -1.476 -1.078 204 1HG GLN 24 2HG GLN 24 8.096 -0.177 -0.394 205 2HG GLN 24 1HG GLN 24 8.741 -1.566 -1.257 206 1HE2 GLN 24 1HE2 GLN 24 9.828 -1.249 -3.184 207 2HE2 GLN 24 2HE2 GLN 24 10.287 0.319 -3.759 208 H ALA 25 H ALA 25 5.346 -2.262 -5.153 209 HA ALA 25 HA ALA 25 3.339 -3.134 -5.709 210 1HB ALA 25 1HB ALA 25 2.512 -5.107 -4.500 211 2HB ALA 25 2HB ALA 25 3.712 -4.828 -3.236 212 3HB ALA 25 3HB ALA 25 4.233 -5.238 -4.870 213 H GLU 26 H GLU 26 2.578 -0.974 -5.231 214 HA GLU 26 HA GLU 26 0.852 -0.887 -2.858 215 1HB GLU 26 2HB GLU 26 1.491 1.461 -2.525 216 2HB GLU 26 1HB GLU 26 2.851 0.368 -2.350 217 1HG GLU 26 2HG GLU 26 2.342 1.756 -4.954 218 2HG GLU 26 1HG GLU 26 3.155 2.588 -3.632 219 H LEU 27 H LEU 27 -1.077 0.110 -3.044 220 HA LEU 27 HA LEU 27 -1.885 1.060 -5.692 221 1HB LEU 27 2HB LEU 27 -3.592 0.709 -3.229 222 2HB LEU 27 1HB LEU 27 -4.147 0.949 -4.869 223 HG LEU 27 HG LEU 27 -2.625 -1.502 -3.988 224 1HD1 LEU 27 1HD1 LEU 27 -4.762 -1.329 -2.789 225 2HD1 LEU 27 2HD1 LEU 27 -4.771 -2.650 -3.957 226 3HD1 LEU 27 3HD1 LEU 27 -5.602 -1.139 -4.328 227 1HD2 LEU 27 1HD2 LEU 27 -4.281 -0.915 -6.439 228 2HD2 LEU 27 2HD2 LEU 27 -3.464 -2.435 -6.075 229 3HD2 LEU 27 3HD2 LEU 27 -2.521 -0.975 -6.378 230 H VAL 28 H VAL 28 -1.129 3.111 -5.891 231 HA VAL 28 HA VAL 28 -0.988 4.912 -3.678 232 HB VAL 28 HB VAL 28 -0.630 5.462 -6.629 233 1HG1 VAL 28 1HG1 VAL 28 0.192 7.089 -4.225 234 2HG1 VAL 28 2HG1 VAL 28 -1.088 7.504 -5.369 235 3HG1 VAL 28 3HG1 VAL 28 0.592 7.452 -5.902 236 1HG2 VAL 28 1HG2 VAL 28 0.950 3.788 -5.797 237 2HG2 VAL 28 2HG2 VAL 28 1.407 4.864 -4.480 238 3HG2 VAL 28 3HG2 VAL 28 1.774 5.307 -6.145 239 H CYS 29 H CYS 29 -2.575 6.097 -2.896 240 HA CYS 29 HA CYS 29 -5.002 6.612 -4.356 241 1HB CYS 29 2HB CYS 29 -4.028 7.864 -1.779 242 2HB CYS 29 1HB CYS 29 -5.679 7.874 -2.389 243 HG CYS 29 HG CYS 29 -4.689 4.764 -2.180 244 H ASN 30 H ASN 30 -4.702 7.878 -6.106 245 HA ASN 30 HA ASN 30 -2.590 9.798 -6.212 246 1HB ASN 30 2HB ASN 30 -3.675 8.206 -8.048 247 2HB ASN 30 1HB ASN 30 -4.672 9.626 -8.340 248 1HD2 ASN 30 1HD2 ASN 30 -2.626 8.297 -9.971 249 2HD2 ASN 30 2HD2 ASN 30 -1.476 9.521 -10.352 250 H ALA 31 H ALA 31 -4.074 10.678 -4.251 251 HA ALA 31 HA ALA 31 -4.721 13.328 -5.092 252 1HB ALA 31 1HB ALA 31 -6.866 12.290 -5.596 253 2HB ALA 31 2HB ALA 31 -7.023 13.377 -4.216 254 3HB ALA 31 3HB ALA 31 -6.952 11.631 -3.963 255 H ASP 32 H ASP 32 -4.829 10.855 -2.605 256 HA ASP 32 HA ASP 32 -4.468 12.820 -0.482 257 1HB ASP 32 2HB ASP 32 -4.704 9.805 -0.312 258 2HB ASP 32 1HB ASP 32 -4.756 10.928 1.041 259 H ARG 33 H ARG 33 -2.547 11.078 -2.568 260 HA ARG 33 HA ARG 33 -0.361 10.525 -2.684 261 1HB ARG 33 2HB ARG 33 -0.166 12.449 -0.371 262 2HB ARG 33 1HB ARG 33 1.232 11.677 -1.109 263 1HG ARG 33 2HG ARG 33 0.347 12.647 -3.315 264 2HG ARG 33 1HG ARG 33 -0.639 13.692 -2.286 265 1HD ARG 33 2HD ARG 33 2.357 13.425 -2.171 266 2HD ARG 33 1HD ARG 33 1.475 14.759 -2.916 267 HE ARG 33 HE ARG 33 0.500 14.974 -0.513 268 1HH1 ARG 33 1HH1 ARG 33 3.821 14.181 -1.373 269 2HH1 ARG 33 2HH1 ARG 33 4.480 14.845 0.100 270 1HH2 ARG 33 1HH2 ARG 33 1.380 15.834 1.396 271 2HH2 ARG 33 2HH2 ARG 33 3.092 15.793 1.657 272 H LEU 34 H LEU 34 -2.163 8.861 -1.263 273 HA LEU 34 HA LEU 34 -0.408 7.662 0.774 274 1HB LEU 34 2HB LEU 34 -3.355 7.267 0.234 275 2HB LEU 34 1HB LEU 34 -2.440 6.337 1.405 276 HG LEU 34 HG LEU 34 -2.857 9.321 1.521 277 1HD1 LEU 34 1HD1 LEU 34 -4.938 8.088 1.893 278 2HD1 LEU 34 2HD1 LEU 34 -4.362 8.840 3.379 279 3HD1 LEU 34 3HD1 LEU 34 -4.137 7.110 3.124 280 1HD2 LEU 34 1HD2 LEU 34 -1.683 7.418 3.538 281 2HD2 LEU 34 2HD2 LEU 34 -1.905 9.156 3.743 282 3HD2 LEU 34 3HD2 LEU 34 -0.764 8.547 2.544 283 H ALA 35 H ALA 35 -0.605 5.181 0.788 284 HA ALA 35 HA ALA 35 -1.055 3.992 -1.811 285 1HB ALA 35 1HB ALA 35 1.217 4.898 -2.022 286 2HB ALA 35 2HB ALA 35 1.198 3.138 -2.080 287 3HB ALA 35 3HB ALA 35 1.709 3.963 -0.612 288 H PHE 36 H PHE 36 -2.244 2.300 -1.276 289 HA PHE 36 HA PHE 36 -1.912 0.922 1.239 290 1HB PHE 36 2HB PHE 36 -3.694 0.322 -1.135 291 2HB PHE 36 1HB PHE 36 -3.750 -0.532 0.404 292 HD1 PHE 36 2HD PHE 36 -3.861 1.254 2.478 293 HD2 PHE 36 1HD PHE 36 -5.358 1.832 -1.457 294 HE1 PHE 36 2HE PHE 36 -5.458 2.914 3.338 295 HE2 PHE 36 1HE PHE 36 -6.958 3.498 -0.608 296 HZ PHE 36 HZ PHE 36 -7.011 4.038 1.795 297 HA PRO 37 HA PRO 37 1.125 -1.734 -0.605 298 1HB PRO 37 2HB PRO 37 1.851 -3.059 1.616 299 2HB PRO 37 1HB PRO 37 2.297 -1.372 1.337 300 1HG PRO 37 2HG PRO 37 0.164 -2.507 3.082 301 2HG PRO 37 1HG PRO 37 1.216 -1.109 3.357 302 1HD PRO 37 2HD PRO 37 -1.416 -0.985 2.481 303 2HD PRO 37 1HD PRO 37 -0.215 0.305 2.285 304 H VAL 38 H VAL 38 0.916 -3.562 -1.692 305 HA VAL 38 HA VAL 38 -1.091 -5.514 -0.857 306 HB VAL 38 HB VAL 38 0.614 -5.522 -3.359 307 1HG1 VAL 38 1HG1 VAL 38 -0.223 -7.728 -2.750 308 2HG1 VAL 38 2HG1 VAL 38 -1.034 -7.136 -4.198 309 3HG1 VAL 38 3HG1 VAL 38 -1.864 -7.094 -2.643 310 1HG2 VAL 38 1HG2 VAL 38 -2.206 -4.522 -2.952 311 2HG2 VAL 38 2HG2 VAL 38 -1.409 -4.700 -4.514 312 3HG2 VAL 38 3HG2 VAL 38 -0.789 -3.545 -3.334 313 H ARG 39 H ARG 39 -0.332 -6.830 0.691 314 HA ARG 39 HA ARG 39 2.486 -7.516 0.797 315 1HB ARG 39 2HB ARG 39 1.159 -6.908 2.830 316 2HB ARG 39 1HB ARG 39 0.235 -8.387 2.616 317 1HG ARG 39 2HG ARG 39 2.283 -9.702 2.912 318 2HG ARG 39 1HG ARG 39 3.191 -8.207 3.161 319 1HD ARG 39 2HD ARG 39 1.787 -7.683 5.099 320 2HD ARG 39 1HD ARG 39 0.894 -9.183 4.855 321 HE ARG 39 HE ARG 39 3.780 -9.364 5.281 322 1HH1 ARG 39 1HH1 ARG 39 0.539 -9.727 6.526 323 2HH1 ARG 39 2HH1 ARG 39 1.013 -10.728 7.864 324 1HH2 ARG 39 1HH2 ARG 39 4.439 -10.660 7.042 325 2HH2 ARG 39 2HH2 ARG 39 3.250 -11.227 8.184 326 H ASP 40 H ASP 40 2.335 -8.602 -1.266 327 HA ASP 40 HA ASP 40 2.167 -10.384 -2.654 328 1HB ASP 40 2HB ASP 40 3.858 -11.196 -1.043 329 2HB ASP 40 1HB ASP 40 2.577 -11.946 -0.095 330 H GLY 41 H GLY 41 -0.059 -9.882 -3.066 331 1HA GLY 41 2HA GLY 41 -2.010 -11.033 -3.724 332 2HA GLY 41 1HA GLY 41 -1.752 -12.171 -2.411 333 H VAL 42 H VAL 42 -1.436 -10.338 -0.287 334 HA VAL 42 HA VAL 42 -4.263 -9.621 0.005 335 HB VAL 42 HB VAL 42 -2.129 -9.902 2.129 336 1HG1 VAL 42 1HG1 VAL 42 -5.121 -9.603 2.382 337 2HG1 VAL 42 2HG1 VAL 42 -3.911 -8.390 2.802 338 3HG1 VAL 42 3HG1 VAL 42 -4.004 -9.898 3.713 339 1HG2 VAL 42 1HG2 VAL 42 -3.263 -11.998 2.708 340 2HG2 VAL 42 2HG2 VAL 42 -2.569 -12.029 1.085 341 3HG2 VAL 42 3HG2 VAL 42 -4.305 -11.806 1.295 342 HA PRO 43 HA PRO 43 -2.761 -5.371 -0.219 343 1HB PRO 43 2HB PRO 43 -5.408 -4.531 -0.850 344 2HB PRO 43 1HB PRO 43 -4.051 -4.733 -1.957 345 1HG PRO 43 2HG PRO 43 -6.362 -6.277 -1.945 346 2HG PRO 43 1HG PRO 43 -4.828 -6.723 -2.712 347 1HD PRO 43 2HD PRO 43 -5.956 -7.577 -0.081 348 2HD PRO 43 1HD PRO 43 -4.996 -8.508 -1.251 349 H ILE 44 H ILE 44 -2.569 -4.120 1.515 350 HA ILE 44 HA ILE 44 -4.497 -4.331 3.684 351 HB ILE 44 HB ILE 44 -1.938 -2.724 3.557 352 1HG1 ILE 44 2HG1 ILE 44 -1.491 -5.121 3.327 353 2HG1 ILE 44 1HG1 ILE 44 -0.949 -4.538 4.893 354 1HG2 ILE 44 1HG2 ILE 44 -3.487 -1.869 5.222 355 2HG2 ILE 44 2HG2 ILE 44 -2.112 -2.651 6.003 356 3HG2 ILE 44 3HG2 ILE 44 -3.666 -3.483 5.910 357 1HD1 ILE 44 1HD1 ILE 44 -2.939 -5.472 5.939 358 2HD1 ILE 44 2HD1 ILE 44 -2.017 -6.705 5.079 359 3HD1 ILE 44 3HD1 ILE 44 -3.491 -6.051 4.371 360 H MET 45 H MET 45 -6.303 -3.206 3.199 361 HA MET 45 HA MET 45 -6.139 -0.603 1.921 362 1HB MET 45 2HB MET 45 -8.518 -2.244 2.825 363 2HB MET 45 1HB MET 45 -8.624 -0.724 1.949 364 1HG MET 45 2HG MET 45 -7.259 -3.193 0.907 365 2HG MET 45 1HG MET 45 -8.918 -2.734 0.532 366 1HE MET 45 1HE MET 45 -8.694 0.436 0.271 367 2HE MET 45 2HE MET 45 -9.579 -0.584 -0.866 368 3HE MET 45 3HE MET 45 -8.414 0.595 -1.466 369 H LEU 46 H LEU 46 -5.212 -1.111 4.736 370 HA LEU 46 HA LEU 46 -6.994 0.686 6.224 371 1HB LEU 46 2HB LEU 46 -4.684 -1.006 7.195 372 2HB LEU 46 1HB LEU 46 -5.774 -0.077 8.209 373 HG LEU 46 HG LEU 46 -6.622 -2.399 6.476 374 1HD1 LEU 46 1HD1 LEU 46 -6.796 -3.640 8.576 375 2HD1 LEU 46 2HD1 LEU 46 -6.105 -2.269 9.441 376 3HD1 LEU 46 3HD1 LEU 46 -5.137 -3.140 8.251 377 1HD2 LEU 46 1HD2 LEU 46 -8.397 -0.776 6.901 378 2HD2 LEU 46 2HD2 LEU 46 -8.075 -0.870 8.632 379 3HD2 LEU 46 3HD2 LEU 46 -8.691 -2.282 7.773 380 H GLU 47 H GLU 47 -6.452 2.768 6.297 381 HA GLU 47 HA GLU 47 -4.193 3.740 4.958 382 1HB GLU 47 2HB GLU 47 -4.934 5.926 5.525 383 2HB GLU 47 1HB GLU 47 -6.367 4.949 5.261 384 1HG GLU 47 2HG GLU 47 -5.238 5.677 7.958 385 2HG GLU 47 1HG GLU 47 -6.581 6.489 7.160 386 H ALA 48 H ALA 48 -4.812 3.328 8.403 387 HA ALA 48 HA ALA 48 -2.543 4.730 9.318 388 1HB ALA 48 1HB ALA 48 -2.980 3.704 11.463 389 2HB ALA 48 2HB ALA 48 -4.038 2.514 10.705 390 3HB ALA 48 3HB ALA 48 -4.493 4.216 10.717 391 H GLU 49 H GLU 49 -2.934 1.507 8.093 392 HA GLU 49 HA GLU 49 -0.269 0.785 9.096 393 1HB GLU 49 2HB GLU 49 -2.406 -1.058 8.026 394 2HB GLU 49 1HB GLU 49 -0.909 -1.527 8.822 395 1HG GLU 49 2HG GLU 49 -1.854 -0.072 10.781 396 2HG GLU 49 1HG GLU 49 -3.395 -0.381 9.981 397 H ALA 50 H ALA 50 -1.428 2.222 6.549 398 HA ALA 50 HA ALA 50 -0.011 0.671 4.517 399 1HB ALA 50 1HB ALA 50 -2.233 1.490 3.923 400 2HB ALA 50 2HB ALA 50 -0.999 2.255 2.919 401 3HB ALA 50 3HB ALA 50 -1.724 3.146 4.258 402 H ARG 51 H ARG 51 0.894 2.606 2.839 403 HA ARG 51 HA ARG 51 2.791 4.136 4.492 404 1HB ARG 51 2HB ARG 51 4.446 3.931 2.731 405 2HB ARG 51 1HB ARG 51 3.896 2.328 3.193 406 1HG ARG 51 2HG ARG 51 2.528 2.164 1.230 407 2HG ARG 51 1HG ARG 51 2.873 3.842 0.804 408 1HD ARG 51 2HD ARG 51 4.904 1.614 0.948 409 2HD ARG 51 1HD ARG 51 4.189 2.254 -0.531 410 HE ARG 51 HE ARG 51 5.641 4.102 1.216 411 1HH1 ARG 51 1HH1 ARG 51 5.504 2.294 -1.790 412 2HH1 ARG 51 2HH1 ARG 51 6.832 3.147 -2.502 413 1HH2 ARG 51 1HH2 ARG 51 7.386 5.235 0.275 414 2HH2 ARG 51 2HH2 ARG 51 7.885 4.830 -1.353 415 H SER 52 H SER 52 3.376 6.223 3.703 416 HA SER 52 HA SER 52 1.481 7.326 1.755 417 1HB SER 52 2HB SER 52 1.212 8.247 4.001 418 2HB SER 52 1HB SER 52 2.907 8.695 4.033 419 HG SER 52 HG SER 52 0.825 9.773 2.454 420 H LEU 53 H LEU 53 2.437 9.347 0.711 421 HA LEU 53 HA LEU 53 5.163 8.763 -0.204 422 1HB LEU 53 2HB LEU 53 3.127 10.740 -1.245 423 2HB LEU 53 1HB LEU 53 4.707 10.450 -1.948 424 HG LEU 53 HG LEU 53 2.467 8.430 -1.787 425 1HD1 LEU 53 1HD1 LEU 53 2.009 10.220 -3.384 426 2HD1 LEU 53 2HD1 LEU 53 2.351 8.700 -4.211 427 3HD1 LEU 53 3HD1 LEU 53 3.582 9.959 -4.134 428 1HD2 LEU 53 1HD2 LEU 53 4.673 7.391 -1.661 429 2HD2 LEU 53 2HD2 LEU 53 5.175 8.270 -3.104 430 3HD2 LEU 53 3HD2 LEU 53 3.902 7.056 -3.208 431 H ASP 54 H ASP 54 3.536 10.528 2.039 432 HA ASP 54 HA ASP 54 5.557 12.652 2.204 433 1HB ASP 54 2HB ASP 54 3.284 13.465 2.271 434 2HB ASP 54 1HB ASP 54 2.857 12.306 3.524 435 H ALA 55 H ALA 55 4.289 9.839 3.782 436 HA ALA 55 HA ALA 55 6.314 10.082 5.889 437 1HB ALA 55 1HB ALA 55 4.108 10.614 6.825 438 2HB ALA 55 2HB ALA 55 4.763 9.122 7.497 439 3HB ALA 55 3HB ALA 55 3.502 9.055 6.267 440 H GLU 56 H GLU 56 7.749 8.627 5.244 441 HA GLU 56 HA GLU 56 6.987 6.093 4.109 442 1HB GLU 56 2HB GLU 56 9.705 7.064 5.004 443 2HB GLU 56 1HB GLU 56 9.383 5.648 4.012 444 1HG GLU 56 2HG GLU 56 8.914 8.522 3.261 445 2HG GLU 56 1HG GLU 56 10.160 7.446 2.631 446 H ALA 57 H ALA 57 8.085 4.081 5.060 447 HA ALA 57 HA ALA 57 7.438 3.980 7.913 448 1HB ALA 57 1HB ALA 57 7.849 1.742 5.934 449 2HB ALA 57 2HB ALA 57 6.297 2.374 6.483 450 3HB ALA 57 3HB ALA 57 7.366 1.552 7.619 451 HA PRO 58 HA PRO 58 11.899 3.827 8.553 452 1HB PRO 58 2HB PRO 58 11.269 4.187 11.362 453 2HB PRO 58 1HB PRO 58 12.092 5.295 10.263 454 1HG PRO 58 2HG PRO 58 9.607 5.765 11.284 455 2HG PRO 58 1HG PRO 58 10.157 6.395 9.720 456 1HD PRO 58 2HD PRO 58 8.418 4.026 10.309 457 2HD PRO 58 1HD PRO 58 8.269 5.245 9.022 458 H ALA 59 H ALA 59 12.739 1.838 8.519 459 HA ALA 59 HA ALA 59 11.981 -0.030 10.653 460 1HB ALA 59 1HB ALA 59 11.930 -1.887 9.064 461 2HB ALA 59 2HB ALA 59 12.235 -0.766 7.737 462 3HB ALA 59 3HB ALA 59 10.728 -0.664 8.648 463 H GLN 60 H GLN 60 13.840 0.038 11.783 464 HA GLN 60 HA GLN 60 16.219 -1.011 10.417 465 1HB GLN 60 2HB GLN 60 16.203 1.226 12.461 466 2HB GLN 60 1HB GLN 60 17.647 0.446 11.825 467 1HG GLN 60 2HG GLN 60 17.074 1.237 9.581 468 2HG GLN 60 1HG GLN 60 15.642 2.032 10.234 469 1HE2 GLN 60 1HE2 GLN 60 17.934 3.147 8.833 470 2HE2 GLN 60 2HE2 GLN 60 18.602 4.346 9.879 471 HA PRO 61 HA PRO 61 15.055 -3.831 13.726 472 1HB PRO 61 2HB PRO 61 16.972 -5.629 12.424 473 2HB PRO 61 1HB PRO 61 15.239 -5.841 12.687 474 1HG PRO 61 2HG PRO 61 16.270 -5.390 10.242 475 2HG PRO 61 1HG PRO 61 14.680 -4.764 10.719 476 1HD PRO 61 2HD PRO 61 17.316 -3.345 10.572 477 2HD PRO 61 1HD PRO 61 15.705 -2.782 10.079 478 H SER 62 H SER 62 15.999 -2.900 15.456 479 HA SER 62 HA SER 62 17.526 -2.495 17.111 480 1HB SER 62 2HB SER 62 17.796 -5.472 16.693 481 2HB SER 62 1HB SER 62 18.208 -4.602 18.175 482 HG SER 62 HG SER 62 15.925 -3.835 18.046 483 H LEU 63 H LEU 63 19.161 -1.212 16.217 484 HA LEU 63 HA LEU 63 21.552 -2.500 15.212 485 1HB LEU 63 2HB LEU 63 20.878 0.373 15.826 486 2HB LEU 63 1HB LEU 63 22.497 -0.131 15.387 487 HG LEU 63 HG LEU 63 21.542 -1.021 13.232 488 1HD1 LEU 63 1HD1 LEU 63 19.107 0.505 14.137 489 2HD1 LEU 63 2HD1 LEU 63 19.217 -1.234 13.874 490 3HD1 LEU 63 3HD1 LEU 63 19.374 -0.125 12.512 491 1HD2 LEU 63 1HD2 LEU 63 22.729 1.089 13.332 492 2HD2 LEU 63 2HD2 LEU 63 21.244 1.923 13.793 493 3HD2 LEU 63 3HD2 LEU 63 21.386 1.189 12.195 494 H GLU 64 H GLU 64 22.289 -3.791 16.811 495 HA GLU 64 HA GLU 64 23.481 -2.564 19.144 496 1HB GLU 64 2HB GLU 64 21.230 -2.874 19.957 497 2HB GLU 64 1HB GLU 64 21.179 -4.517 19.338 498 1HG GLU 64 2HG GLU 64 23.047 -5.052 20.947 499 2HG GLU 64 1HG GLU 64 22.762 -3.467 21.664 500 H HIS 65 H HIS 65 25.134 -3.810 19.999 501 HA HIS 65 HA HIS 65 25.838 -6.240 18.575 502 1HB HIS 65 2HB HIS 65 27.578 -4.567 19.201 503 2HB HIS 65 1HB HIS 65 27.253 -4.901 20.897 504 HD1 HIS 65 1HD HIS 65 28.886 -6.455 21.885 505 HD2 HIS 65 2HD HIS 65 28.344 -7.171 17.823 506 HE1 HIS 65 1HE HIS 65 30.451 -8.338 21.311 507 HE2 HIS 65 2HE HIS 65 30.200 -8.672 18.828 508 H HIS 66 H HIS 66 24.141 -7.579 19.170 509 HA HIS 66 HA HIS 66 23.601 -7.985 22.008 510 1HB HIS 66 2HB HIS 66 21.742 -7.564 20.404 511 2HB HIS 66 1HB HIS 66 22.150 -9.063 19.583 512 HD1 HIS 66 1HD HIS 66 21.216 -11.200 20.528 513 HD2 HIS 66 2HD HIS 66 20.640 -7.926 23.028 514 HE1 HIS 66 1HE HIS 66 19.636 -11.985 22.327 515 HE2 HIS 66 2HE HIS 66 19.202 -9.948 23.753 516 H HIS 67 H HIS 67 24.056 -9.812 23.088 517 HA HIS 67 HA HIS 67 25.924 -11.652 22.000 518 1HB HIS 67 2HB HIS 67 26.019 -11.157 24.351 519 2HB HIS 67 1HB HIS 67 24.341 -11.630 24.579 520 HD1 HIS 67 1HD HIS 67 27.795 -13.012 24.361 521 HD2 HIS 67 2HD HIS 67 23.893 -14.409 24.698 522 HE1 HIS 67 1HE HIS 67 27.995 -15.436 24.993 523 HE2 HIS 67 2HE HIS 67 25.617 -16.210 25.360 524 H HIS 68 H HIS 68 25.639 -13.573 21.063 525 HA HIS 68 HA HIS 68 22.972 -14.796 21.136 526 1HB HIS 68 2HB HIS 68 23.288 -15.387 18.677 527 2HB HIS 68 1HB HIS 68 22.872 -13.721 19.046 528 HD1 HIS 68 1HD HIS 68 25.555 -15.834 17.551 529 HD2 HIS 68 2HD HIS 68 24.906 -11.843 18.523 530 HE1 HIS 68 1HE HIS 68 27.342 -14.544 16.352 531 HE2 HIS 68 2HE HIS 68 26.756 -12.124 16.742 532 H HIS 69 H HIS 69 23.443 -16.932 19.478 533 HA HIS 69 HA HIS 69 24.327 -19.011 19.356 534 1HB HIS 69 2HB HIS 69 26.547 -17.890 19.171 535 2HB HIS 69 1HB HIS 69 26.697 -17.977 20.922 536 HD1 HIS 69 1HD HIS 69 26.142 -20.403 18.034 537 HD2 HIS 69 2HD HIS 69 28.000 -20.196 21.749 538 HE1 HIS 69 1HE HIS 69 27.361 -22.585 18.303 539 HE2 HIS 69 2HE HIS 69 28.657 -22.342 20.456 540 H HIS 70 H HIS 70 24.924 -17.578 22.557 541 HA HIS 70 HA HIS 70 23.212 -19.617 23.723 542 1HB HIS 70 2HB HIS 70 25.532 -20.564 23.810 543 2HB HIS 70 1HB HIS 70 26.019 -19.177 24.778 544 HD1 HIS 70 1HD HIS 70 25.225 -19.105 27.244 545 HD2 HIS 70 2HD HIS 70 24.017 -22.496 25.161 546 HE1 HIS 70 1HE HIS 70 24.411 -20.719 28.988 547 HE2 HIS 70 2HE HIS 70 23.808 -22.814 27.723 Start of MODEL 2 1 1H MET 1 1H MET 1 -10.767 -14.083 -5.840 2 2H MET 1 2H MET 1 -11.613 -13.007 -6.840 3 3H MET 1 3H MET 1 -11.924 -13.035 -5.176 4 HA MET 1 HA MET 1 -10.563 -11.130 -5.869 5 1HB MET 1 2HB MET 1 -10.471 -12.220 -3.581 6 2HB MET 1 1HB MET 1 -9.041 -13.079 -4.127 7 1HG MET 1 2HG MET 1 -8.476 -11.115 -2.800 8 2HG MET 1 1HG MET 1 -7.875 -10.982 -4.455 9 1HE MET 1 1HE MET 1 -7.486 -8.358 -4.119 10 2HE MET 1 2HE MET 1 -8.060 -8.521 -2.459 11 3HE MET 1 3HE MET 1 -8.731 -7.269 -3.509 12 H GLU 2 H GLU 2 -10.234 -13.253 -7.946 13 HA GLU 2 HA GLU 2 -7.348 -13.452 -8.258 14 1HB GLU 2 2HB GLU 2 -9.585 -14.557 -9.969 15 2HB GLU 2 1HB GLU 2 -7.875 -14.882 -10.198 16 1HG GLU 2 2HG GLU 2 -8.706 -16.771 -9.107 17 2HG GLU 2 1HG GLU 2 -7.896 -15.845 -7.846 18 H SER 3 H SER 3 -6.647 -13.180 -10.691 19 HA SER 3 HA SER 3 -6.146 -11.739 -12.366 20 1HB SER 3 2HB SER 3 -8.929 -10.627 -11.926 21 2HB SER 3 1HB SER 3 -7.917 -10.360 -13.345 22 HG SER 3 HG SER 3 -9.484 -12.506 -12.684 23 H ARG 4 H ARG 4 -6.244 -10.964 -9.306 24 HA ARG 4 HA ARG 4 -6.039 -8.090 -9.400 25 1HB ARG 4 2HB ARG 4 -6.921 -9.235 -7.406 26 2HB ARG 4 1HB ARG 4 -5.391 -10.070 -7.194 27 1HG ARG 4 2HG ARG 4 -5.248 -8.377 -5.646 28 2HG ARG 4 1HG ARG 4 -4.388 -7.692 -7.022 29 1HD ARG 4 2HD ARG 4 -7.219 -7.107 -6.162 30 2HD ARG 4 1HD ARG 4 -5.837 -6.021 -6.070 31 HE ARG 4 HE ARG 4 -7.521 -6.503 -8.333 32 1HH1 ARG 4 1HH1 ARG 4 -4.214 -5.689 -7.451 33 2HH1 ARG 4 2HH1 ARG 4 -3.940 -4.766 -8.886 34 1HH2 ARG 4 1HH2 ARG 4 -7.157 -5.228 -10.189 35 2HH2 ARG 4 2HH2 ARG 4 -5.594 -4.520 -10.449 36 H LEU 5 H LEU 5 -4.060 -10.473 -10.450 37 HA LEU 5 HA LEU 5 -1.551 -9.698 -9.360 38 1HB LEU 5 2HB LEU 5 -2.293 -11.343 -11.768 39 2HB LEU 5 1HB LEU 5 -0.627 -11.016 -11.333 40 HG LEU 5 HG LEU 5 -1.156 -12.071 -9.073 41 1HD1 LEU 5 1HD1 LEU 5 -3.021 -13.663 -9.044 42 2HD1 LEU 5 2HD1 LEU 5 -3.567 -13.040 -10.603 43 3HD1 LEU 5 3HD1 LEU 5 -3.579 -11.995 -9.181 44 1HD2 LEU 5 1HD2 LEU 5 -0.864 -14.338 -9.942 45 2HD2 LEU 5 2HD2 LEU 5 0.180 -13.181 -10.768 46 3HD2 LEU 5 3HD2 LEU 5 -1.283 -13.770 -11.559 47 H LEU 6 H LEU 6 -3.546 -8.205 -11.596 48 HA LEU 6 HA LEU 6 -1.302 -6.664 -12.692 49 1HB LEU 6 2HB LEU 6 -4.220 -6.662 -13.489 50 2HB LEU 6 1HB LEU 6 -2.970 -5.679 -14.228 51 HG LEU 6 HG LEU 6 -3.133 -8.694 -14.299 52 1HD1 LEU 6 1HD1 LEU 6 -4.779 -7.592 -15.723 53 2HD1 LEU 6 2HD1 LEU 6 -3.529 -8.380 -16.684 54 3HD1 LEU 6 3HD1 LEU 6 -3.500 -6.631 -16.466 55 1HD2 LEU 6 1HD2 LEU 6 -1.218 -8.554 -15.829 56 2HD2 LEU 6 2HD2 LEU 6 -0.819 -7.961 -14.215 57 3HD2 LEU 6 3HD2 LEU 6 -1.115 -6.818 -15.528 58 H ASP 7 H ASP 7 -0.842 -5.568 -10.767 59 HA ASP 7 HA ASP 7 -2.926 -4.154 -9.380 60 1HB ASP 7 2HB ASP 7 0.059 -4.251 -8.929 61 2HB ASP 7 1HB ASP 7 -1.071 -3.377 -7.898 62 H ILE 8 H ILE 8 -3.644 -2.797 -11.013 63 HA ILE 8 HA ILE 8 -1.972 -0.395 -11.350 64 HB ILE 8 HB ILE 8 -3.379 0.132 -13.341 65 1HG1 ILE 8 2HG1 ILE 8 -4.363 -2.714 -13.004 66 2HG1 ILE 8 1HG1 ILE 8 -5.324 -1.268 -12.694 67 1HG2 ILE 8 1HG2 ILE 8 -2.308 -1.501 -14.841 68 2HG2 ILE 8 2HG2 ILE 8 -1.869 -2.477 -13.439 69 3HG2 ILE 8 3HG2 ILE 8 -1.190 -0.862 -13.636 70 1HD1 ILE 8 1HD1 ILE 8 -4.183 -2.116 -15.353 71 2HD1 ILE 8 2HD1 ILE 8 -5.115 -0.647 -15.054 72 3HD1 ILE 8 3HD1 ILE 8 -5.869 -2.227 -14.845 73 H LEU 9 H LEU 9 -3.813 -1.277 -9.199 74 HA LEU 9 HA LEU 9 -6.248 0.141 -9.277 75 1HB LEU 9 2HB LEU 9 -5.336 -1.742 -7.684 76 2HB LEU 9 1HB LEU 9 -4.753 -0.393 -6.734 77 HG LEU 9 HG LEU 9 -7.656 -0.711 -7.492 78 1HD1 LEU 9 1HD1 LEU 9 -6.904 -2.659 -6.202 79 2HD1 LEU 9 2HD1 LEU 9 -8.019 -1.645 -5.286 80 3HD1 LEU 9 3HD1 LEU 9 -6.289 -1.580 -4.948 81 1HD2 LEU 9 1HD2 LEU 9 -6.268 0.915 -5.361 82 2HD2 LEU 9 2HD2 LEU 9 -8.013 0.798 -5.593 83 3HD2 LEU 9 3HD2 LEU 9 -7.006 1.542 -6.836 84 H VAL 10 H VAL 10 -6.706 2.246 -8.877 85 HA VAL 10 HA VAL 10 -4.410 3.980 -8.276 86 HB VAL 10 HB VAL 10 -5.662 5.780 -9.422 87 1HG1 VAL 10 1HG1 VAL 10 -3.978 4.531 -10.634 88 2HG1 VAL 10 2HG1 VAL 10 -5.317 4.944 -11.706 89 3HG1 VAL 10 3HG1 VAL 10 -5.169 3.305 -11.071 90 1HG2 VAL 10 1HG2 VAL 10 -7.590 5.238 -10.805 91 2HG2 VAL 10 2HG2 VAL 10 -7.926 4.914 -9.104 92 3HG2 VAL 10 3HG2 VAL 10 -7.574 3.582 -10.205 93 H CYS 11 H CYS 11 -4.745 5.854 -6.998 94 HA CYS 11 HA CYS 11 -6.440 5.597 -4.747 95 1HB CYS 11 2HB CYS 11 -4.390 6.882 -4.605 96 2HB CYS 11 1HB CYS 11 -4.934 7.968 -5.877 97 HG CYS 11 HG CYS 11 -4.951 9.241 -3.343 98 HA PRO 12 HA PRO 12 -10.221 7.018 -6.565 99 1HB PRO 12 2HB PRO 12 -11.570 7.633 -4.276 100 2HB PRO 12 1HB PRO 12 -11.332 5.978 -4.848 101 1HG PRO 12 2HG PRO 12 -9.833 7.492 -2.752 102 2HG PRO 12 1HG PRO 12 -10.380 5.805 -2.744 103 1HD PRO 12 2HD PRO 12 -7.818 6.495 -3.291 104 2HD PRO 12 1HD PRO 12 -8.607 5.090 -4.035 105 H VAL 13 H VAL 13 -8.169 8.939 -4.608 106 HA VAL 13 HA VAL 13 -9.747 11.365 -5.011 107 HB VAL 13 HB VAL 13 -7.146 11.052 -3.504 108 1HG1 VAL 13 1HG1 VAL 13 -9.213 13.245 -3.495 109 2HG1 VAL 13 2HG1 VAL 13 -7.597 13.334 -4.195 110 3HG1 VAL 13 3HG1 VAL 13 -7.795 13.170 -2.450 111 1HG2 VAL 13 1HG2 VAL 13 -8.878 9.646 -2.514 112 2HG2 VAL 13 2HG2 VAL 13 -9.971 11.030 -2.445 113 3HG2 VAL 13 3HG2 VAL 13 -8.500 11.014 -1.470 114 H CYS 14 H CYS 14 -6.289 10.511 -5.338 115 HA CYS 14 HA CYS 14 -5.976 12.727 -7.197 116 1HB CYS 14 2HB CYS 14 -3.846 10.878 -6.123 117 2HB CYS 14 1HB CYS 14 -3.614 12.458 -6.862 118 HG CYS 14 HG CYS 14 -4.074 11.685 -3.714 119 H LYS 15 H LYS 15 -6.753 9.536 -7.480 120 HA LYS 15 HA LYS 15 -6.596 7.904 -9.021 121 1HB LYS 15 2HB LYS 15 -6.400 10.353 -10.753 122 2HB LYS 15 1HB LYS 15 -6.513 8.728 -11.420 123 1HG LYS 15 2HG LYS 15 -8.528 10.074 -9.632 124 2HG LYS 15 1HG LYS 15 -8.694 9.749 -11.355 125 1HD LYS 15 2HD LYS 15 -8.425 7.305 -10.817 126 2HD LYS 15 1HD LYS 15 -8.542 7.745 -9.113 127 1HE LYS 15 2HE LYS 15 -10.704 7.054 -9.797 128 2HE LYS 15 1HE LYS 15 -10.753 8.810 -9.647 129 1HZ LYS 15 1HZ LYS 15 -11.859 8.047 -11.659 130 2HZ LYS 15 2HZ LYS 15 -10.427 7.305 -12.191 131 3HZ LYS 15 3HZ LYS 15 -10.503 8.994 -12.040 132 H GLY 16 H GLY 16 -4.056 8.871 -7.789 133 1HA GLY 16 2HA GLY 16 -2.048 8.268 -9.766 134 2HA GLY 16 1HA GLY 16 -1.787 8.482 -8.036 135 H ARG 17 H ARG 17 -0.851 6.368 -9.927 136 HA ARG 17 HA ARG 17 -2.310 3.989 -9.333 137 1HB ARG 17 2HB ARG 17 0.340 4.561 -10.605 138 2HB ARG 17 1HB ARG 17 -0.048 2.916 -10.120 139 1HG ARG 17 2HG ARG 17 -0.585 3.186 -12.434 140 2HG ARG 17 1HG ARG 17 -2.087 3.032 -11.524 141 1HD ARG 17 2HD ARG 17 -2.355 4.768 -13.157 142 2HD ARG 17 1HD ARG 17 -2.294 5.508 -11.558 143 HE ARG 17 HE ARG 17 0.183 5.381 -13.117 144 1HH1 ARG 17 1HH1 ARG 17 -2.476 7.294 -11.853 145 2HH1 ARG 17 2HH1 ARG 17 -1.697 8.810 -12.172 146 1HH2 ARG 17 1HH2 ARG 17 1.198 7.392 -13.536 147 2HH2 ARG 17 2HH2 ARG 17 0.373 8.870 -13.127 148 H LEU 18 H LEU 18 -2.158 2.634 -7.680 149 HA LEU 18 HA LEU 18 -0.409 3.349 -5.477 150 1HB LEU 18 2HB LEU 18 -2.406 1.088 -5.619 151 2HB LEU 18 1HB LEU 18 -1.686 1.775 -4.176 152 HG LEU 18 HG LEU 18 -3.682 3.116 -6.001 153 1HD1 LEU 18 1HD1 LEU 18 -5.146 3.050 -4.071 154 2HD1 LEU 18 2HD1 LEU 18 -3.894 2.243 -3.126 155 3HD1 LEU 18 3HD1 LEU 18 -4.625 1.423 -4.507 156 1HD2 LEU 18 1HD2 LEU 18 -2.031 4.722 -5.166 157 2HD2 LEU 18 2HD2 LEU 18 -2.366 4.198 -3.516 158 3HD2 LEU 18 3HD2 LEU 18 -3.626 4.987 -4.464 159 H GLU 19 H GLU 19 0.526 1.331 -4.265 160 HA GLU 19 HA GLU 19 1.760 -0.478 -6.224 161 1HB GLU 19 2HB GLU 19 3.057 1.696 -5.084 162 2HB GLU 19 1HB GLU 19 3.598 0.335 -4.118 163 1HG GLU 19 2HG GLU 19 3.658 0.092 -7.077 164 2HG GLU 19 1HG GLU 19 4.874 1.093 -6.288 165 H PHE 20 H PHE 20 1.048 -2.370 -5.602 166 HA PHE 20 HA PHE 20 0.318 -2.921 -2.878 167 1HB PHE 20 2HB PHE 20 -1.012 -3.824 -4.746 168 2HB PHE 20 1HB PHE 20 0.378 -4.756 -5.288 169 HD1 PHE 20 1HD PHE 20 -1.946 -4.319 -2.430 170 HD2 PHE 20 2HD PHE 20 0.762 -6.901 -4.457 171 HE1 PHE 20 1HE PHE 20 -2.652 -6.180 -0.989 172 HE2 PHE 20 2HE PHE 20 0.061 -8.771 -3.015 173 HZ PHE 20 HZ PHE 20 -1.650 -8.410 -1.279 174 H GLN 21 H GLN 21 1.890 -3.247 -1.457 175 HA GLN 21 HA GLN 21 4.324 -4.597 -2.274 176 1HB GLN 21 2HB GLN 21 3.481 -3.236 0.278 177 2HB GLN 21 1HB GLN 21 4.994 -4.117 0.126 178 1HG GLN 21 2HG GLN 21 4.200 -1.808 -1.627 179 2HG GLN 21 1HG GLN 21 5.201 -1.664 -0.184 180 1HE2 GLN 21 1HE2 GLN 21 6.930 -0.872 -1.388 181 2HE2 GLN 21 2HE2 GLN 21 7.886 -1.888 -2.402 182 H ARG 22 H ARG 22 4.967 -6.561 -1.609 183 HA ARG 22 HA ARG 22 2.863 -8.283 -0.559 184 1HB ARG 22 2HB ARG 22 5.499 -8.877 -1.914 185 2HB ARG 22 1HB ARG 22 4.496 -10.130 -1.200 186 1HG ARG 22 2HG ARG 22 3.964 -10.162 -3.475 187 2HG ARG 22 1HG ARG 22 2.631 -9.290 -2.717 188 1HD ARG 22 2HD ARG 22 3.776 -7.157 -3.337 189 2HD ARG 22 1HD ARG 22 4.954 -8.111 -4.237 190 HE ARG 22 HE ARG 22 2.337 -8.762 -5.078 191 1HH1 ARG 22 1HH1 ARG 22 4.755 -6.252 -5.331 192 2HH1 ARG 22 2HH1 ARG 22 4.111 -5.588 -6.801 193 1HH2 ARG 22 1HH2 ARG 22 1.485 -7.919 -7.026 194 2HH2 ARG 22 2HH2 ARG 22 2.245 -6.544 -7.760 195 H ALA 23 H ALA 23 4.128 -6.447 1.213 196 HA ALA 23 HA ALA 23 5.817 -8.142 2.898 197 1HB ALA 23 1HB ALA 23 6.562 -5.839 2.444 198 2HB ALA 23 2HB ALA 23 6.298 -6.136 4.163 199 3HB ALA 23 3HB ALA 23 5.104 -5.231 3.232 200 H GLN 24 H GLN 24 3.121 -5.866 3.462 201 HA GLN 24 HA GLN 24 2.006 -7.830 5.370 202 1HB GLN 24 2HB GLN 24 2.964 -5.799 6.455 203 2HB GLN 24 1HB GLN 24 1.851 -4.811 5.521 204 1HG GLN 24 2HG GLN 24 -0.023 -6.071 6.619 205 2HG GLN 24 1HG GLN 24 1.185 -6.793 7.680 206 1HE2 GLN 24 1HE2 GLN 24 -0.455 -3.868 6.775 207 2HE2 GLN 24 2HE2 GLN 24 -0.014 -2.941 8.166 208 H ALA 25 H ALA 25 1.671 -6.708 2.426 209 HA ALA 25 HA ALA 25 0.032 -6.587 0.875 210 1HB ALA 25 1HB ALA 25 -2.251 -7.328 1.360 211 2HB ALA 25 2HB ALA 25 -1.865 -7.405 3.079 212 3HB ALA 25 3HB ALA 25 -1.061 -8.490 1.946 213 H GLU 26 H GLU 26 0.886 -4.345 1.385 214 HA GLU 26 HA GLU 26 -1.391 -2.622 2.099 215 1HB GLU 26 2HB GLU 26 0.312 -0.898 2.693 216 2HB GLU 26 1HB GLU 26 0.347 -2.315 3.728 217 1HG GLU 26 2HG GLU 26 2.192 -2.120 1.384 218 2HG GLU 26 1HG GLU 26 2.564 -1.275 2.884 219 H LEU 27 H LEU 27 -1.933 -0.967 0.743 220 HA LEU 27 HA LEU 27 -0.626 -0.915 -1.872 221 1HB LEU 27 2HB LEU 27 -3.102 0.534 -0.923 222 2HB LEU 27 1HB LEU 27 -2.500 0.508 -2.564 223 HG LEU 27 HG LEU 27 -3.435 -1.955 -1.091 224 1HD1 LEU 27 1HD1 LEU 27 -4.902 -0.254 -3.103 225 2HD1 LEU 27 2HD1 LEU 27 -5.278 -0.376 -1.384 226 3HD1 LEU 27 3HD1 LEU 27 -5.465 -1.784 -2.432 227 1HD2 LEU 27 1HD2 LEU 27 -1.852 -2.398 -2.891 228 2HD2 LEU 27 2HD2 LEU 27 -2.825 -1.434 -4.000 229 3HD2 LEU 27 3HD2 LEU 27 -3.471 -2.934 -3.340 230 H VAL 28 H VAL 28 1.198 0.236 -1.744 231 HA VAL 28 HA VAL 28 1.349 2.653 -0.166 232 HB VAL 28 HB VAL 28 3.358 1.437 -2.071 233 1HG1 VAL 28 1HG1 VAL 28 3.759 3.819 -1.741 234 2HG1 VAL 28 2HG1 VAL 28 5.002 2.863 -0.932 235 3HG1 VAL 28 3HG1 VAL 28 3.702 3.598 0.008 236 1HG2 VAL 28 1HG2 VAL 28 4.477 0.626 -0.043 237 2HG2 VAL 28 2HG2 VAL 28 2.858 -0.050 -0.211 238 3HG2 VAL 28 3HG2 VAL 28 3.154 1.258 0.933 239 H CYS 29 H CYS 29 0.353 4.403 -0.932 240 HA CYS 29 HA CYS 29 -0.066 4.905 -3.717 241 1HB CYS 29 2HB CYS 29 -0.243 6.963 -1.513 242 2HB CYS 29 1HB CYS 29 -1.139 6.907 -3.025 243 HG CYS 29 HG CYS 29 -3.184 6.161 -1.622 244 H ASN 30 H ASN 30 1.667 5.299 -4.983 245 HA ASN 30 HA ASN 30 4.003 6.601 -3.887 246 1HB ASN 30 2HB ASN 30 3.381 5.390 -6.576 247 2HB ASN 30 1HB ASN 30 4.841 6.338 -6.322 248 1HD2 ASN 30 1HD2 ASN 30 3.411 4.263 -3.887 249 2HD2 ASN 30 2HD2 ASN 30 4.685 3.099 -3.870 250 H ALA 31 H ALA 31 1.279 7.926 -4.569 251 HA ALA 31 HA ALA 31 2.513 10.344 -5.701 252 1HB ALA 31 1HB ALA 31 0.405 10.911 -6.766 253 2HB ALA 31 2HB ALA 31 -0.343 9.452 -6.121 254 3HB ALA 31 3HB ALA 31 0.944 9.326 -7.322 255 H ASP 32 H ASP 32 -0.259 9.146 -3.836 256 HA ASP 32 HA ASP 32 -0.694 11.551 -2.396 257 1HB ASP 32 2HB ASP 32 -1.493 8.768 -1.523 258 2HB ASP 32 1HB ASP 32 -2.272 10.291 -1.111 259 H ARG 33 H ARG 33 1.503 8.946 -2.057 260 HA ARG 33 HA ARG 33 2.972 8.245 -0.505 261 1HB ARG 33 2HB ARG 33 2.704 11.089 0.464 262 2HB ARG 33 1HB ARG 33 3.889 9.944 1.085 263 1HG ARG 33 2HG ARG 33 4.549 9.686 -1.418 264 2HG ARG 33 1HG ARG 33 3.724 11.235 -1.598 265 1HD ARG 33 2HD ARG 33 5.964 10.677 0.334 266 2HD ARG 33 1HD ARG 33 6.154 11.454 -1.235 267 HE ARG 33 HE ARG 33 4.580 12.610 0.980 268 1HH1 ARG 33 1HH1 ARG 33 6.636 12.939 -1.832 269 2HH1 ARG 33 2HH1 ARG 33 6.871 14.655 -1.617 270 1HH2 ARG 33 1HH2 ARG 33 4.873 14.857 1.274 271 2HH2 ARG 33 2HH2 ARG 33 5.849 15.740 0.135 272 H LEU 34 H LEU 34 0.757 7.189 -0.069 273 HA LEU 34 HA LEU 34 0.307 7.292 2.830 274 1HB LEU 34 2HB LEU 34 -1.849 7.100 0.714 275 2HB LEU 34 1HB LEU 34 -2.110 6.860 2.429 276 HG LEU 34 HG LEU 34 -1.153 9.444 1.208 277 1HD1 LEU 34 1HD1 LEU 34 -3.412 8.952 0.466 278 2HD1 LEU 34 2HD1 LEU 34 -3.426 10.257 1.654 279 3HD1 LEU 34 3HD1 LEU 34 -3.906 8.627 2.129 280 1HD2 LEU 34 1HD2 LEU 34 -2.141 8.780 3.975 281 2HD2 LEU 34 2HD2 LEU 34 -1.711 10.386 3.390 282 3HD2 LEU 34 3HD2 LEU 34 -0.473 9.139 3.527 283 H ALA 35 H ALA 35 -0.954 5.273 3.498 284 HA ALA 35 HA ALA 35 -0.256 2.986 1.790 285 1HB ALA 35 1HB ALA 35 0.193 3.125 4.770 286 2HB ALA 35 2HB ALA 35 1.451 3.170 3.533 287 3HB ALA 35 3HB ALA 35 0.472 1.718 3.746 288 H PHE 36 H PHE 36 -2.209 2.282 1.182 289 HA PHE 36 HA PHE 36 -4.400 2.184 3.105 290 1HB PHE 36 2HB PHE 36 -4.267 1.458 0.167 291 2HB PHE 36 1HB PHE 36 -5.715 1.301 1.151 292 HD1 PHE 36 2HD PHE 36 -5.653 3.776 2.721 293 HD2 PHE 36 1HD PHE 36 -4.735 3.097 -1.379 294 HE1 PHE 36 2HE PHE 36 -6.237 6.110 2.207 295 HE2 PHE 36 1HE PHE 36 -5.321 5.428 -1.902 296 HZ PHE 36 HZ PHE 36 -6.072 6.938 -0.106 297 HA PRO 37 HA PRO 37 -2.963 -1.949 4.048 298 1HB PRO 37 2HB PRO 37 -4.944 -1.972 6.160 299 2HB PRO 37 1HB PRO 37 -3.188 -1.886 6.297 300 1HG PRO 37 2HG PRO 37 -4.860 0.172 6.947 301 2HG PRO 37 1HG PRO 37 -3.183 0.397 6.419 302 1HD PRO 37 2HD PRO 37 -5.721 0.689 4.861 303 2HD PRO 37 1HD PRO 37 -4.248 1.683 4.815 304 H VAL 38 H VAL 38 -3.637 -3.723 3.023 305 HA VAL 38 HA VAL 38 -6.449 -4.076 2.385 306 HB VAL 38 HB VAL 38 -4.083 -5.851 1.747 307 1HG1 VAL 38 1HG1 VAL 38 -6.189 -7.070 1.738 308 2HG1 VAL 38 2HG1 VAL 38 -5.561 -6.886 0.100 309 3HG1 VAL 38 3HG1 VAL 38 -6.892 -5.869 0.653 310 1HG2 VAL 38 1HG2 VAL 38 -4.176 -4.903 -0.495 311 2HG2 VAL 38 2HG2 VAL 38 -3.899 -3.637 0.702 312 3HG2 VAL 38 3HG2 VAL 38 -5.501 -3.845 -0.007 313 H ARG 39 H ARG 39 -7.688 -4.817 3.953 314 HA ARG 39 HA ARG 39 -6.566 -6.674 5.918 315 1HB ARG 39 2HB ARG 39 -7.672 -4.633 6.759 316 2HB ARG 39 1HB ARG 39 -9.165 -5.128 5.977 317 1HG ARG 39 2HG ARG 39 -9.365 -7.026 7.434 318 2HG ARG 39 1HG ARG 39 -7.775 -6.706 8.133 319 1HD ARG 39 2HD ARG 39 -8.596 -4.551 8.977 320 2HD ARG 39 1HD ARG 39 -10.186 -4.902 8.305 321 HE ARG 39 HE ARG 39 -10.442 -6.648 9.923 322 1HH1 ARG 39 1HH1 ARG 39 -7.651 -4.597 10.394 323 2HH1 ARG 39 2HH1 ARG 39 -7.457 -4.997 12.071 324 1HH2 ARG 39 1HH2 ARG 39 -10.221 -7.173 12.150 325 2HH2 ARG 39 2HH2 ARG 39 -8.938 -6.450 13.073 326 H ASP 40 H ASP 40 -6.640 -8.641 5.059 327 HA ASP 40 HA ASP 40 -7.426 -10.592 4.209 328 1HB ASP 40 2HB ASP 40 -8.718 -10.423 6.363 329 2HB ASP 40 1HB ASP 40 -10.066 -9.772 5.435 330 H GLY 41 H GLY 41 -7.231 -8.916 2.235 331 1HA GLY 41 2HA GLY 41 -7.915 -9.012 -0.001 332 2HA GLY 41 1HA GLY 41 -9.444 -9.697 0.521 333 H VAL 42 H VAL 42 -9.850 -7.515 2.499 334 HA VAL 42 HA VAL 42 -11.013 -5.636 0.594 335 HB VAL 42 HB VAL 42 -11.425 -5.813 3.588 336 1HG1 VAL 42 1HG1 VAL 42 -12.977 -4.323 1.472 337 2HG1 VAL 42 2HG1 VAL 42 -11.900 -3.602 2.667 338 3HG1 VAL 42 3HG1 VAL 42 -13.381 -4.406 3.187 339 1HG2 VAL 42 1HG2 VAL 42 -13.104 -6.894 1.328 340 2HG2 VAL 42 2HG2 VAL 42 -13.580 -6.859 3.027 341 3HG2 VAL 42 3HG2 VAL 42 -12.205 -7.837 2.517 342 HA PRO 43 HA PRO 43 -7.573 -2.934 1.664 343 1HB PRO 43 2HB PRO 43 -7.835 -1.267 -0.431 344 2HB PRO 43 1HB PRO 43 -7.126 -2.877 -0.594 345 1HG PRO 43 2HG PRO 43 -9.863 -1.930 -1.313 346 2HG PRO 43 1HG PRO 43 -8.815 -3.084 -2.157 347 1HD PRO 43 2HD PRO 43 -10.919 -3.775 -0.502 348 2HD PRO 43 1HD PRO 43 -9.560 -4.838 -0.911 349 H ILE 44 H ILE 44 -7.796 -1.487 3.240 350 HA ILE 44 HA ILE 44 -10.169 0.127 3.498 351 HB ILE 44 HB ILE 44 -7.579 0.324 5.052 352 1HG1 ILE 44 2HG1 ILE 44 -8.537 -1.909 5.273 353 2HG1 ILE 44 1HG1 ILE 44 -8.735 -1.014 6.775 354 1HG2 ILE 44 1HG2 ILE 44 -10.345 1.356 5.672 355 2HG2 ILE 44 2HG2 ILE 44 -8.939 2.328 5.229 356 3HG2 ILE 44 3HG2 ILE 44 -8.952 1.439 6.754 357 1HD1 ILE 44 1HD1 ILE 44 -10.723 -2.306 6.228 358 2HD1 ILE 44 2HD1 ILE 44 -10.870 -1.448 4.694 359 3HD1 ILE 44 3HD1 ILE 44 -11.063 -0.576 6.215 360 H MET 45 H MET 45 -10.284 1.445 1.733 361 HA MET 45 HA MET 45 -7.956 3.011 0.954 362 1HB MET 45 2HB MET 45 -10.676 2.741 -0.341 363 2HB MET 45 1HB MET 45 -9.315 3.628 -1.014 364 1HG MET 45 2HG MET 45 -8.029 1.570 -1.160 365 2HG MET 45 1HG MET 45 -9.370 0.670 -0.453 366 1HE MET 45 1HE MET 45 -7.987 2.536 -3.583 367 2HE MET 45 2HE MET 45 -9.348 3.565 -3.141 368 3HE MET 45 3HE MET 45 -9.402 2.627 -4.632 369 H LEU 46 H LEU 46 -9.836 3.474 3.357 370 HA LEU 46 HA LEU 46 -10.860 6.120 2.892 371 1HB LEU 46 2HB LEU 46 -10.414 4.605 5.468 372 2HB LEU 46 1HB LEU 46 -11.253 6.139 5.339 373 HG LEU 46 HG LEU 46 -12.156 3.542 4.088 374 1HD1 LEU 46 1HD1 LEU 46 -13.211 5.051 6.475 375 2HD1 LEU 46 2HD1 LEU 46 -12.359 3.507 6.509 376 3HD1 LEU 46 3HD1 LEU 46 -13.947 3.621 5.751 377 1HD2 LEU 46 1HD2 LEU 46 -13.523 6.230 4.224 378 2HD2 LEU 46 2HD2 LEU 46 -14.212 4.744 3.566 379 3HD2 LEU 46 3HD2 LEU 46 -12.825 5.497 2.779 380 H GLU 47 H GLU 47 -9.453 7.712 2.538 381 HA GLU 47 HA GLU 47 -6.726 7.488 3.317 382 1HB GLU 47 2HB GLU 47 -7.002 10.096 2.497 383 2HB GLU 47 1HB GLU 47 -6.603 8.730 1.469 384 1HG GLU 47 2HG GLU 47 -8.349 10.006 0.450 385 2HG GLU 47 1HG GLU 47 -8.994 8.451 0.960 386 H ALA 48 H ALA 48 -9.453 8.730 4.934 387 HA ALA 48 HA ALA 48 -7.895 10.536 6.601 388 1HB ALA 48 1HB ALA 48 -10.201 11.121 5.974 389 2HB ALA 48 2HB ALA 48 -9.985 11.020 7.723 390 3HB ALA 48 3HB ALA 48 -10.783 9.707 6.855 391 H GLU 49 H GLU 49 -8.717 7.253 6.519 392 HA GLU 49 HA GLU 49 -8.186 6.930 9.400 393 1HB GLU 49 2HB GLU 49 -9.813 5.222 7.513 394 2HB GLU 49 1HB GLU 49 -9.358 4.709 9.131 395 1HG GLU 49 2HG GLU 49 -10.933 7.208 8.569 396 2HG GLU 49 1HG GLU 49 -11.667 5.638 8.896 397 H ALA 50 H ALA 50 -6.539 6.892 6.710 398 HA ALA 50 HA ALA 50 -5.318 4.247 6.986 399 1HB ALA 50 1HB ALA 50 -5.986 4.927 4.736 400 2HB ALA 50 2HB ALA 50 -4.241 4.715 4.848 401 3HB ALA 50 3HB ALA 50 -4.933 6.335 4.843 402 H ARG 51 H ARG 51 -2.861 4.328 6.458 403 HA ARG 51 HA ARG 51 -1.654 6.138 8.417 404 1HB ARG 51 2HB ARG 51 -1.266 3.655 8.558 405 2HB ARG 51 1HB ARG 51 -0.410 3.754 7.027 406 1HG ARG 51 2HG ARG 51 1.138 5.403 8.127 407 2HG ARG 51 1HG ARG 51 0.369 4.975 9.657 408 1HD ARG 51 2HD ARG 51 0.957 2.606 9.231 409 2HD ARG 51 1HD ARG 51 1.823 3.116 7.783 410 HE ARG 51 HE ARG 51 2.713 3.327 10.508 411 1HH1 ARG 51 1HH1 ARG 51 3.026 4.737 7.304 412 2HH1 ARG 51 2HH1 ARG 51 4.626 5.356 7.594 413 1HH2 ARG 51 1HH2 ARG 51 4.807 4.135 10.876 414 2HH2 ARG 51 2HH2 ARG 51 5.645 5.002 9.616 415 H SER 52 H SER 52 -0.180 7.687 7.842 416 HA SER 52 HA SER 52 0.112 8.144 4.988 417 1HB SER 52 2HB SER 52 -0.601 10.041 6.201 418 2HB SER 52 1HB SER 52 0.688 9.867 7.382 419 HG SER 52 HG SER 52 0.841 11.471 5.505 420 H LEU 53 H LEU 53 2.081 8.624 4.024 421 HA LEU 53 HA LEU 53 4.458 7.529 5.403 422 1HB LEU 53 2HB LEU 53 3.923 7.692 2.427 423 2HB LEU 53 1HB LEU 53 5.355 7.014 3.177 424 HG LEU 53 HG LEU 53 2.561 5.893 3.419 425 1HD1 LEU 53 1HD1 LEU 53 3.395 4.085 2.020 426 2HD1 LEU 53 2HD1 LEU 53 4.954 4.899 1.879 427 3HD1 LEU 53 3HD1 LEU 53 3.509 5.632 1.182 428 1HD2 LEU 53 1HD2 LEU 53 3.925 5.476 5.404 429 2HD2 LEU 53 2HD2 LEU 53 5.204 4.813 4.388 430 3HD2 LEU 53 3HD2 LEU 53 3.647 3.994 4.489 431 H ASP 54 H ASP 54 2.890 10.202 4.444 432 HA ASP 54 HA ASP 54 5.217 11.786 3.704 433 1HB ASP 54 2HB ASP 54 3.294 12.284 2.407 434 2HB ASP 54 1HB ASP 54 2.251 12.312 3.822 435 H ALA 55 H ALA 55 3.010 11.219 6.336 436 HA ALA 55 HA ALA 55 4.564 13.100 7.978 437 1HB ALA 55 1HB ALA 55 2.561 13.435 9.345 438 2HB ALA 55 2HB ALA 55 1.650 12.391 8.252 439 3HB ALA 55 3HB ALA 55 2.307 13.922 7.670 440 H GLU 56 H GLU 56 6.027 11.533 8.653 441 HA GLU 56 HA GLU 56 5.230 10.186 11.029 442 1HB GLU 56 2HB GLU 56 5.795 7.915 10.437 443 2HB GLU 56 1HB GLU 56 4.551 8.483 9.334 444 1HG GLU 56 2HG GLU 56 6.121 8.736 7.569 445 2HG GLU 56 1HG GLU 56 7.481 8.475 8.661 446 H ALA 57 H ALA 57 7.331 8.619 11.578 447 HA ALA 57 HA ALA 57 9.559 10.517 11.494 448 1HB ALA 57 1HB ALA 57 8.904 9.760 13.705 449 2HB ALA 57 2HB ALA 57 10.507 9.129 13.314 450 3HB ALA 57 3HB ALA 57 9.094 8.081 13.211 451 HA PRO 58 HA PRO 58 11.725 8.252 8.361 452 1HB PRO 58 2HB PRO 58 14.139 9.021 9.925 453 2HB PRO 58 1HB PRO 58 13.777 9.275 8.214 454 1HG PRO 58 2HG PRO 58 13.640 11.301 9.934 455 2HG PRO 58 1HG PRO 58 12.447 11.128 8.632 456 1HD PRO 58 2HD PRO 58 12.177 10.514 11.546 457 2HD PRO 58 1HD PRO 58 10.991 11.219 10.424 458 H ALA 59 H ALA 59 12.025 6.137 8.220 459 HA ALA 59 HA ALA 59 12.487 4.548 10.575 460 1HB ALA 59 1HB ALA 59 12.177 2.631 9.095 461 2HB ALA 59 2HB ALA 59 12.179 3.703 7.696 462 3HB ALA 59 3HB ALA 59 10.883 3.810 8.887 463 H GLN 60 H GLN 60 14.070 2.635 10.307 464 HA GLN 60 HA GLN 60 16.679 3.794 9.806 465 1HB GLN 60 2HB GLN 60 17.543 1.720 10.853 466 2HB GLN 60 1HB GLN 60 16.397 2.572 11.875 467 1HG GLN 60 2HG GLN 60 14.638 0.985 11.131 468 2HG GLN 60 1HG GLN 60 15.876 0.094 10.248 469 1HE2 GLN 60 1HE2 GLN 60 14.594 0.882 13.379 470 2HE2 GLN 60 2HE2 GLN 60 15.504 -0.288 14.267 471 HA PRO 61 HA PRO 61 17.219 2.336 5.705 472 1HB PRO 61 2HB PRO 61 19.906 1.594 5.955 473 2HB PRO 61 1HB PRO 61 19.301 3.180 5.471 474 1HG PRO 61 2HG PRO 61 20.246 2.243 8.133 475 2HG PRO 61 1HG PRO 61 20.400 3.840 7.379 476 1HD PRO 61 2HD PRO 61 18.630 3.383 9.333 477 2HD PRO 61 1HD PRO 61 18.251 4.468 7.978 478 H SER 62 H SER 62 19.016 0.375 7.975 479 HA SER 62 HA SER 62 18.209 -2.047 6.582 480 1HB SER 62 2HB SER 62 19.747 -3.130 8.298 481 2HB SER 62 1HB SER 62 20.521 -2.013 7.174 482 HG SER 62 HG SER 62 19.564 -1.154 9.694 483 H LEU 63 H LEU 63 16.139 -2.543 7.081 484 HA LEU 63 HA LEU 63 14.861 -1.897 9.489 485 1HB LEU 63 2HB LEU 63 14.183 -3.903 7.351 486 2HB LEU 63 1HB LEU 63 13.161 -3.644 8.749 487 HG LEU 63 HG LEU 63 13.004 -1.211 8.041 488 1HD1 LEU 63 1HD1 LEU 63 13.444 -0.723 5.682 489 2HD1 LEU 63 2HD1 LEU 63 14.168 -2.320 5.491 490 3HD1 LEU 63 3HD1 LEU 63 14.924 -1.130 6.551 491 1HD2 LEU 63 1HD2 LEU 63 11.196 -2.808 7.714 492 2HD2 LEU 63 2HD2 LEU 63 11.909 -3.312 6.183 493 3HD2 LEU 63 3HD2 LEU 63 11.290 -1.672 6.368 494 H GLU 64 H GLU 64 13.948 -3.360 11.057 495 HA GLU 64 HA GLU 64 15.944 -4.690 12.467 496 1HB GLU 64 2HB GLU 64 13.947 -3.681 13.479 497 2HB GLU 64 1HB GLU 64 12.946 -4.920 12.741 498 1HG GLU 64 2HG GLU 64 14.122 -6.625 14.074 499 2HG GLU 64 1HG GLU 64 15.048 -5.340 14.853 500 H HIS 65 H HIS 65 16.928 -6.293 11.310 501 HA HIS 65 HA HIS 65 17.343 -8.368 10.500 502 1HB HIS 65 2HB HIS 65 16.318 -8.736 12.912 503 2HB HIS 65 1HB HIS 65 15.015 -9.491 12.002 504 HD1 HIS 65 1HD HIS 65 17.698 -10.553 13.844 505 HD2 HIS 65 2HD HIS 65 16.582 -11.328 9.910 506 HE1 HIS 65 1HE HIS 65 18.844 -12.708 13.221 507 HE2 HIS 65 2HE HIS 65 18.231 -13.109 10.807 508 H HIS 66 H HIS 66 15.621 -6.742 8.918 509 HA HIS 66 HA HIS 66 13.806 -8.732 7.730 510 1HB HIS 66 2HB HIS 66 13.762 -5.754 7.863 511 2HB HIS 66 1HB HIS 66 13.079 -6.522 6.437 512 HD1 HIS 66 1HD HIS 66 12.685 -6.780 10.230 513 HD2 HIS 66 2HD HIS 66 10.482 -7.185 6.726 514 HE1 HIS 66 1HE HIS 66 10.309 -7.147 10.961 515 HE2 HIS 66 2HE HIS 66 8.980 -7.147 8.828 516 H HIS 67 H HIS 67 14.223 -9.558 5.812 517 HA HIS 67 HA HIS 67 15.103 -9.957 3.764 518 1HB HIS 67 2HB HIS 67 14.423 -7.540 3.377 519 2HB HIS 67 1HB HIS 67 16.090 -7.099 3.737 520 HD1 HIS 67 1HD HIS 67 14.130 -9.204 1.260 521 HD2 HIS 67 2HD HIS 67 17.773 -7.220 1.598 522 HE1 HIS 67 1HE HIS 67 15.209 -9.364 -1.012 523 HE2 HIS 67 2HE HIS 67 17.462 -8.251 -0.754 524 H HIS 68 H HIS 68 16.594 -10.309 6.237 525 HA HIS 68 HA HIS 68 19.348 -9.715 5.715 526 1HB HIS 68 2HB HIS 68 18.575 -9.970 8.009 527 2HB HIS 68 1HB HIS 68 18.059 -11.620 7.680 528 HD1 HIS 68 1HD HIS 68 21.243 -9.566 7.861 529 HD2 HIS 68 2HD HIS 68 19.962 -13.516 8.109 530 HE1 HIS 68 1HE HIS 68 23.270 -10.898 8.547 531 HE2 HIS 68 2HE HIS 68 22.471 -13.287 8.694 532 H HIS 69 H HIS 69 20.095 -10.539 3.870 533 HA HIS 69 HA HIS 69 21.080 -12.051 2.488 534 1HB HIS 69 2HB HIS 69 21.795 -13.309 4.470 535 2HB HIS 69 1HB HIS 69 20.239 -14.127 4.525 536 HD1 HIS 69 1HD HIS 69 19.739 -15.781 2.443 537 HD2 HIS 69 2HD HIS 69 23.676 -14.513 2.896 538 HE1 HIS 69 1HE HIS 69 21.127 -17.385 1.097 539 HE2 HIS 69 2HE HIS 69 23.515 -16.681 1.491 540 H HIS 70 H HIS 70 17.863 -12.676 3.631 541 HA HIS 70 HA HIS 70 15.999 -13.562 2.814 542 1HB HIS 70 2HB HIS 70 15.345 -13.280 0.579 543 2HB HIS 70 1HB HIS 70 16.439 -11.951 0.899 544 HD1 HIS 70 1HD HIS 70 16.710 -15.425 -0.678 545 HD2 HIS 70 2HD HIS 70 18.164 -11.562 -1.137 546 HE1 HIS 70 1HE HIS 70 18.085 -15.468 -2.777 547 HE2 HIS 70 2HE HIS 70 19.135 -13.182 -2.904 Start of MODEL 3 1 1H MET 1 1H MET 1 -21.567 -6.426 -18.838 2 2H MET 1 2H MET 1 -21.666 -4.736 -18.758 3 3H MET 1 3H MET 1 -20.155 -5.489 -18.947 4 HA MET 1 HA MET 1 -20.871 -6.355 -21.102 5 1HB MET 1 2HB MET 1 -23.235 -4.534 -20.606 6 2HB MET 1 1HB MET 1 -22.846 -5.276 -22.149 7 1HG MET 1 2HG MET 1 -23.184 -7.482 -21.192 8 2HG MET 1 1HG MET 1 -23.537 -6.757 -19.623 9 1HE MET 1 1HE MET 1 -27.052 -8.056 -20.763 10 2HE MET 1 2HE MET 1 -25.830 -8.091 -19.494 11 3HE MET 1 3HE MET 1 -25.499 -8.833 -21.061 12 H GLU 2 H GLU 2 -22.112 -3.043 -20.710 13 HA GLU 2 HA GLU 2 -19.633 -2.088 -21.972 14 1HB GLU 2 2HB GLU 2 -22.438 -1.134 -22.562 15 2HB GLU 2 1HB GLU 2 -20.963 -0.468 -23.251 16 1HG GLU 2 2HG GLU 2 -20.498 -2.654 -24.286 17 2HG GLU 2 1HG GLU 2 -22.030 -3.251 -23.651 18 H SER 3 H SER 3 -18.698 -1.244 -20.185 19 HA SER 3 HA SER 3 -19.505 1.314 -19.324 20 1HB SER 3 2HB SER 3 -19.839 0.689 -16.876 21 2HB SER 3 1HB SER 3 -21.165 0.268 -17.962 22 HG SER 3 HG SER 3 -20.715 -1.494 -16.639 23 H ARG 4 H ARG 4 -17.976 -1.422 -17.655 24 HA ARG 4 HA ARG 4 -15.914 -1.776 -16.808 25 1HB ARG 4 2HB ARG 4 -15.252 -1.594 -19.180 26 2HB ARG 4 1HB ARG 4 -15.000 0.133 -18.964 27 1HG ARG 4 2HG ARG 4 -13.215 -0.291 -17.389 28 2HG ARG 4 1HG ARG 4 -13.506 -2.029 -17.494 29 1HD ARG 4 2HD ARG 4 -12.615 -0.231 -19.744 30 2HD ARG 4 1HD ARG 4 -11.604 -1.382 -18.870 31 HE ARG 4 HE ARG 4 -13.455 -3.026 -19.767 32 1HH1 ARG 4 1HH1 ARG 4 -11.979 -0.334 -21.449 33 2HH1 ARG 4 2HH1 ARG 4 -12.061 -1.098 -23.009 34 1HH2 ARG 4 1HH2 ARG 4 -13.599 -4.019 -21.803 35 2HH2 ARG 4 2HH2 ARG 4 -13.021 -3.186 -23.214 36 H LEU 5 H LEU 5 -16.344 -0.859 -14.836 37 HA LEU 5 HA LEU 5 -14.882 1.555 -14.232 38 1HB LEU 5 2HB LEU 5 -17.250 2.214 -14.976 39 2HB LEU 5 1HB LEU 5 -17.805 1.453 -13.501 40 HG LEU 5 HG LEU 5 -15.755 3.651 -13.408 41 1HD1 LEU 5 1HD1 LEU 5 -17.647 4.472 -14.727 42 2HD1 LEU 5 2HD1 LEU 5 -17.552 5.260 -13.153 43 3HD1 LEU 5 3HD1 LEU 5 -18.748 3.996 -13.435 44 1HD2 LEU 5 1HD2 LEU 5 -16.715 4.015 -11.192 45 2HD2 LEU 5 2HD2 LEU 5 -16.143 2.357 -11.371 46 3HD2 LEU 5 3HD2 LEU 5 -17.868 2.710 -11.470 47 H LEU 6 H LEU 6 -13.761 1.023 -12.507 48 HA LEU 6 HA LEU 6 -13.118 0.136 -10.515 49 1HB LEU 6 2HB LEU 6 -15.619 1.093 -10.016 50 2HB LEU 6 1HB LEU 6 -15.851 -0.603 -9.644 51 HG LEU 6 HG LEU 6 -13.762 1.168 -8.364 52 1HD1 LEU 6 1HD1 LEU 6 -16.441 0.220 -7.360 53 2HD1 LEU 6 2HD1 LEU 6 -15.964 1.882 -7.705 54 3HD1 LEU 6 3HD1 LEU 6 -15.214 1.008 -6.369 55 1HD2 LEU 6 1HD2 LEU 6 -13.124 -1.193 -8.420 56 2HD2 LEU 6 2HD2 LEU 6 -14.666 -1.631 -7.685 57 3HD2 LEU 6 3HD2 LEU 6 -13.498 -0.668 -6.779 58 H ASP 7 H ASP 7 -12.892 -1.440 -12.621 59 HA ASP 7 HA ASP 7 -14.274 -3.945 -12.321 60 1HB ASP 7 2HB ASP 7 -11.875 -3.323 -14.054 61 2HB ASP 7 1HB ASP 7 -12.980 -4.681 -14.229 62 H ILE 8 H ILE 8 -10.797 -3.111 -12.257 63 HA ILE 8 HA ILE 8 -10.209 -5.662 -11.039 64 HB ILE 8 HB ILE 8 -8.246 -3.430 -11.572 65 1HG1 ILE 8 2HG1 ILE 8 -9.443 -3.946 -13.650 66 2HG1 ILE 8 1HG1 ILE 8 -7.785 -4.522 -13.729 67 1HG2 ILE 8 1HG2 ILE 8 -7.854 -6.416 -11.376 68 2HG2 ILE 8 2HG2 ILE 8 -7.490 -5.255 -10.100 69 3HG2 ILE 8 3HG2 ILE 8 -6.596 -5.203 -11.619 70 1HD1 ILE 8 1HD1 ILE 8 -10.200 -6.224 -13.162 71 2HD1 ILE 8 2HD1 ILE 8 -8.535 -6.792 -13.283 72 3HD1 ILE 8 3HD1 ILE 8 -9.344 -6.118 -14.700 73 H LEU 9 H LEU 9 -8.493 -2.757 -10.091 74 HA LEU 9 HA LEU 9 -9.572 -2.844 -7.384 75 1HB LEU 9 2HB LEU 9 -6.676 -3.354 -8.061 76 2HB LEU 9 1HB LEU 9 -7.220 -2.884 -6.465 77 HG LEU 9 HG LEU 9 -8.112 -5.395 -7.878 78 1HD1 LEU 9 1HD1 LEU 9 -5.728 -5.494 -7.423 79 2HD1 LEU 9 2HD1 LEU 9 -6.607 -6.561 -6.327 80 3HD1 LEU 9 3HD1 LEU 9 -6.006 -5.005 -5.753 81 1HD2 LEU 9 1HD2 LEU 9 -8.385 -4.524 -5.001 82 2HD2 LEU 9 2HD2 LEU 9 -8.953 -6.044 -5.694 83 3HD2 LEU 9 3HD2 LEU 9 -9.681 -4.520 -6.200 84 H VAL 10 H VAL 10 -9.625 -0.858 -6.481 85 HA VAL 10 HA VAL 10 -7.951 1.247 -7.661 86 HB VAL 10 HB VAL 10 -9.787 2.864 -7.366 87 1HG1 VAL 10 1HG1 VAL 10 -11.161 2.141 -9.262 88 2HG1 VAL 10 2HG1 VAL 10 -10.490 0.516 -9.122 89 3HG1 VAL 10 3HG1 VAL 10 -9.443 1.870 -9.550 90 1HG2 VAL 10 1HG2 VAL 10 -11.493 0.449 -6.772 91 2HG2 VAL 10 2HG2 VAL 10 -12.070 2.101 -6.993 92 3HG2 VAL 10 3HG2 VAL 10 -11.038 1.703 -5.620 93 H CYS 11 H CYS 11 -7.399 2.961 -6.268 94 HA CYS 11 HA CYS 11 -6.808 2.238 -3.625 95 1HB CYS 11 2HB CYS 11 -5.519 3.927 -4.812 96 2HB CYS 11 1HB CYS 11 -6.929 4.978 -4.906 97 HG CYS 11 HG CYS 11 -4.638 4.855 -2.611 98 HA PRO 12 HA PRO 12 -10.765 2.673 -1.694 99 1HB PRO 12 2HB PRO 12 -9.164 3.101 0.769 100 2HB PRO 12 1HB PRO 12 -10.414 1.900 0.431 101 1HG PRO 12 2HG PRO 12 -7.838 1.208 0.522 102 2HG PRO 12 1HG PRO 12 -8.951 0.476 -0.649 103 1HD PRO 12 2HD PRO 12 -6.886 2.599 -1.068 104 2HD PRO 12 1HD PRO 12 -7.349 1.249 -2.126 105 H VAL 13 H VAL 13 -8.166 4.983 -1.201 106 HA VAL 13 HA VAL 13 -10.048 6.940 -0.110 107 HB VAL 13 HB VAL 13 -7.038 7.121 -0.352 108 1HG1 VAL 13 1HG1 VAL 13 -9.016 8.865 1.113 109 2HG1 VAL 13 2HG1 VAL 13 -8.101 9.308 -0.326 110 3HG1 VAL 13 3HG1 VAL 13 -7.262 9.017 1.197 111 1HG2 VAL 13 1HG2 VAL 13 -7.725 5.338 1.177 112 2HG2 VAL 13 2HG2 VAL 13 -8.768 6.466 2.038 113 3HG2 VAL 13 3HG2 VAL 13 -7.019 6.685 2.069 114 H CYS 14 H CYS 14 -7.598 6.702 -2.693 115 HA CYS 14 HA CYS 14 -8.423 9.306 -3.695 116 1HB CYS 14 2HB CYS 14 -6.029 8.810 -3.425 117 2HB CYS 14 1HB CYS 14 -6.173 7.484 -4.574 118 HG CYS 14 HG CYS 14 -7.248 9.661 -6.442 119 H LYS 15 H LYS 15 -9.381 6.156 -4.274 120 HA LYS 15 HA LYS 15 -10.244 4.975 -5.994 121 1HB LYS 15 2HB LYS 15 -11.208 7.756 -6.364 122 2HB LYS 15 1HB LYS 15 -11.512 6.613 -7.666 123 1HG LYS 15 2HG LYS 15 -13.371 6.749 -6.108 124 2HG LYS 15 1HG LYS 15 -12.675 5.137 -6.140 125 1HD LYS 15 2HD LYS 15 -11.450 5.682 -4.062 126 2HD LYS 15 1HD LYS 15 -12.249 7.258 -4.036 127 1HE LYS 15 2HE LYS 15 -14.435 6.099 -3.972 128 2HE LYS 15 1HE LYS 15 -13.586 4.557 -3.881 129 1HZ LYS 15 1HZ LYS 15 -12.583 5.286 -1.798 130 2HZ LYS 15 2HZ LYS 15 -14.273 5.294 -1.700 131 3HZ LYS 15 3HZ LYS 15 -13.428 6.754 -1.887 132 H GLY 16 H GLY 16 -7.487 6.007 -6.338 133 1HA GLY 16 2HA GLY 16 -7.267 6.240 -9.233 134 2HA GLY 16 1HA GLY 16 -5.944 6.339 -8.075 135 H ARG 17 H ARG 17 -5.736 4.819 -10.383 136 HA ARG 17 HA ARG 17 -6.422 2.099 -10.049 137 1HB ARG 17 2HB ARG 17 -4.158 3.302 -11.654 138 2HB ARG 17 1HB ARG 17 -4.771 1.663 -11.821 139 1HG ARG 17 2HG ARG 17 -6.915 2.515 -12.576 140 2HG ARG 17 1HG ARG 17 -6.347 4.173 -12.357 141 1HD ARG 17 2HD ARG 17 -4.624 3.822 -14.037 142 2HD ARG 17 1HD ARG 17 -5.125 2.143 -14.225 143 HE ARG 17 HE ARG 17 -7.335 3.814 -14.712 144 1HH1 ARG 17 1HH1 ARG 17 -4.249 2.970 -16.119 145 2HH1 ARG 17 2HH1 ARG 17 -4.755 3.255 -17.755 146 1HH2 ARG 17 1HH2 ARG 17 -8.031 4.169 -16.868 147 2HH2 ARG 17 2HH2 ARG 17 -6.918 3.925 -18.181 148 H LEU 18 H LEU 18 -5.476 0.478 -8.943 149 HA LEU 18 HA LEU 18 -3.106 1.068 -7.355 150 1HB LEU 18 2HB LEU 18 -4.937 -1.335 -7.445 151 2HB LEU 18 1HB LEU 18 -3.533 -1.216 -6.402 152 HG LEU 18 HG LEU 18 -5.976 0.556 -6.292 153 1HD1 LEU 18 1HD1 LEU 18 -6.423 -1.665 -5.444 154 2HD1 LEU 18 2HD1 LEU 18 -6.326 -0.521 -4.107 155 3HD1 LEU 18 3HD1 LEU 18 -4.973 -1.603 -4.441 156 1HD2 LEU 18 1HD2 LEU 18 -3.502 0.516 -4.572 157 2HD2 LEU 18 2HD2 LEU 18 -4.953 1.471 -4.262 158 3HD2 LEU 18 3HD2 LEU 18 -3.974 1.791 -5.695 159 H GLU 19 H GLU 19 -1.117 0.390 -7.851 160 HA GLU 19 HA GLU 19 -0.838 -1.307 -10.221 161 1HB GLU 19 2HB GLU 19 1.164 0.544 -8.923 162 2HB GLU 19 1HB GLU 19 1.455 -0.425 -10.356 163 1HG GLU 19 2HG GLU 19 -0.484 0.797 -11.414 164 2HG GLU 19 1HG GLU 19 -0.396 1.907 -10.046 165 H PHE 20 H PHE 20 -0.218 -3.317 -9.977 166 HA PHE 20 HA PHE 20 0.593 -4.323 -7.417 167 1HB PHE 20 2HB PHE 20 -0.881 -5.637 -8.883 168 2HB PHE 20 1HB PHE 20 0.391 -5.715 -10.097 169 HD1 PHE 20 1HD PHE 20 -0.323 -6.632 -6.567 170 HD2 PHE 20 2HD PHE 20 1.860 -7.507 -10.108 171 HE1 PHE 20 1HE PHE 20 0.526 -8.696 -5.527 172 HE2 PHE 20 2HE PHE 20 2.713 -9.571 -9.079 173 HZ PHE 20 HZ PHE 20 2.047 -10.169 -6.785 174 H GLN 21 H GLN 21 2.572 -3.551 -6.871 175 HA GLN 21 HA GLN 21 4.814 -3.944 -8.694 176 1HB GLN 21 2HB GLN 21 4.667 -2.712 -5.933 177 2HB GLN 21 1HB GLN 21 6.111 -2.789 -6.927 178 1HG GLN 21 2HG GLN 21 3.593 -1.416 -7.807 179 2HG GLN 21 1HG GLN 21 4.881 -0.599 -6.928 180 1HE2 GLN 21 1HE2 GLN 21 5.211 0.799 -8.658 181 2HE2 GLN 21 2HE2 GLN 21 6.027 0.301 -10.098 182 H ARG 22 H ARG 22 6.884 -4.803 -7.363 183 HA ARG 22 HA ARG 22 6.029 -7.129 -5.821 184 1HB ARG 22 2HB ARG 22 7.351 -8.646 -7.261 185 2HB ARG 22 1HB ARG 22 5.962 -7.940 -8.068 186 1HG ARG 22 2HG ARG 22 7.590 -6.220 -9.006 187 2HG ARG 22 1HG ARG 22 8.865 -7.309 -8.456 188 1HD ARG 22 2HD ARG 22 6.676 -7.884 -10.442 189 2HD ARG 22 1HD ARG 22 8.414 -7.834 -10.737 190 HE ARG 22 HE ARG 22 8.447 -9.810 -9.089 191 1HH1 ARG 22 1HH1 ARG 22 5.858 -9.137 -11.347 192 2HH1 ARG 22 2HH1 ARG 22 5.366 -10.798 -11.483 193 1HH2 ARG 22 1HH2 ARG 22 7.814 -11.999 -9.276 194 2HH2 ARG 22 2HH2 ARG 22 6.480 -12.421 -10.308 195 H ALA 23 H ALA 23 7.458 -4.785 -5.043 196 HA ALA 23 HA ALA 23 10.160 -5.745 -4.503 197 1HB ALA 23 1HB ALA 23 8.715 -3.287 -3.482 198 2HB ALA 23 2HB ALA 23 9.809 -3.341 -4.864 199 3HB ALA 23 3HB ALA 23 10.422 -3.657 -3.242 200 H GLN 24 H GLN 24 7.267 -4.849 -2.678 201 HA GLN 24 HA GLN 24 7.868 -7.021 -0.761 202 1HB GLN 24 2HB GLN 24 6.301 -4.489 -0.198 203 2HB GLN 24 1HB GLN 24 6.764 -5.725 0.966 204 1HG GLN 24 2HG GLN 24 8.980 -5.058 0.984 205 2HG GLN 24 1HG GLN 24 8.844 -4.219 -0.561 206 1HE2 GLN 24 1HE2 GLN 24 7.765 -2.219 -0.638 207 2HE2 GLN 24 2HE2 GLN 24 7.633 -1.233 0.782 208 H ALA 25 H ALA 25 6.310 -6.594 -3.364 209 HA ALA 25 HA ALA 25 4.369 -7.191 -4.368 210 1HB ALA 25 1HB ALA 25 2.937 -8.871 -3.319 211 2HB ALA 25 2HB ALA 25 3.785 -8.640 -1.789 212 3HB ALA 25 3HB ALA 25 4.640 -9.314 -3.175 213 H GLU 26 H GLU 26 4.378 -4.726 -3.647 214 HA GLU 26 HA GLU 26 2.018 -4.200 -1.981 215 1HB GLU 26 2HB GLU 26 2.955 -1.939 -1.668 216 2HB GLU 26 1HB GLU 26 4.058 -3.192 -1.126 217 1HG GLU 26 2HG GLU 26 4.303 -2.019 -3.864 218 2HG GLU 26 1HG GLU 26 4.980 -1.193 -2.464 219 H LEU 27 H LEU 27 0.379 -2.897 -2.664 220 HA LEU 27 HA LEU 27 0.280 -2.220 -5.503 221 1HB LEU 27 2HB LEU 27 -1.833 -1.761 -3.397 222 2HB LEU 27 1HB LEU 27 -2.047 -1.698 -5.131 223 HG LEU 27 HG LEU 27 -1.396 -4.194 -3.563 224 1HD1 LEU 27 1HD1 LEU 27 -3.644 -3.353 -3.094 225 2HD1 LEU 27 2HD1 LEU 27 -3.691 -4.852 -4.022 226 3HD1 LEU 27 3HD1 LEU 27 -3.989 -3.309 -4.823 227 1HD2 LEU 27 1HD2 LEU 27 -2.088 -3.794 -6.474 228 2HD2 LEU 27 2HD2 LEU 27 -1.908 -5.352 -5.667 229 3HD2 LEU 27 3HD2 LEU 27 -0.519 -4.278 -5.827 230 H VAL 28 H VAL 28 1.294 -0.372 -5.997 231 HA VAL 28 HA VAL 28 1.565 1.706 -3.979 232 HB VAL 28 HB VAL 28 2.800 1.471 -6.729 233 1HG1 VAL 28 1HG1 VAL 28 3.351 3.461 -4.526 234 2HG1 VAL 28 2HG1 VAL 28 2.602 3.808 -6.085 235 3HG1 VAL 28 3HG1 VAL 28 4.288 3.296 -6.011 236 1HG2 VAL 28 1HG2 VAL 28 3.640 -0.225 -5.237 237 2HG2 VAL 28 2HG2 VAL 28 3.938 0.978 -3.983 238 3HG2 VAL 28 3HG2 VAL 28 4.873 1.013 -5.476 239 H CYS 29 H CYS 29 0.525 3.558 -3.957 240 HA CYS 29 HA CYS 29 -1.145 4.315 -6.256 241 1HB CYS 29 2HB CYS 29 -1.164 5.439 -3.441 242 2HB CYS 29 1HB CYS 29 -2.344 5.755 -4.709 243 HG CYS 29 HG CYS 29 -1.954 2.529 -3.828 244 H ASN 30 H ASN 30 -0.065 5.639 -7.624 245 HA ASN 30 HA ASN 30 2.285 7.033 -6.833 246 1HB ASN 30 2HB ASN 30 0.669 7.253 -9.383 247 2HB ASN 30 1HB ASN 30 2.258 7.970 -9.136 248 1HD2 ASN 30 1HD2 ASN 30 0.484 5.090 -9.760 249 2HD2 ASN 30 2HD2 ASN 30 1.841 4.046 -10.030 250 H ALA 31 H ALA 31 -0.919 7.821 -6.399 251 HA ALA 31 HA ALA 31 -0.626 10.677 -6.713 252 1HB ALA 31 1HB ALA 31 -2.778 9.593 -7.169 253 2HB ALA 31 2HB ALA 31 -2.917 10.800 -5.892 254 3HB ALA 31 3HB ALA 31 -2.878 9.084 -5.483 255 H ASP 32 H ASP 32 -1.451 8.603 -3.926 256 HA ASP 32 HA ASP 32 -0.647 10.690 -2.090 257 1HB ASP 32 2HB ASP 32 -1.738 7.905 -1.628 258 2HB ASP 32 1HB ASP 32 -1.365 9.045 -0.339 259 H ARG 33 H ARG 33 0.925 8.254 -3.715 260 HA ARG 33 HA ARG 33 2.917 7.206 -3.531 261 1HB ARG 33 2HB ARG 33 3.325 9.554 -1.743 262 2HB ARG 33 1HB ARG 33 4.558 8.297 -1.839 263 1HG ARG 33 2HG ARG 33 4.677 8.587 -4.260 264 2HG ARG 33 1HG ARG 33 3.443 9.847 -4.171 265 1HD ARG 33 2HD ARG 33 5.977 10.007 -2.606 266 2HD ARG 33 1HD ARG 33 5.893 10.550 -4.280 267 HE ARG 33 HE ARG 33 3.950 11.986 -3.400 268 1HH1 ARG 33 1HH1 ARG 33 6.820 11.172 -1.569 269 2HH1 ARG 33 2HH1 ARG 33 6.741 12.587 -0.569 270 1HH2 ARG 33 1HH2 ARG 33 3.875 13.876 -2.133 271 2HH2 ARG 33 2HH2 ARG 33 5.078 14.150 -0.909 272 H LEU 34 H LEU 34 0.767 6.173 -2.149 273 HA LEU 34 HA LEU 34 1.944 5.032 0.289 274 1HB LEU 34 2HB LEU 34 -0.888 5.141 -0.740 275 2HB LEU 34 1HB LEU 34 -0.410 4.106 0.593 276 HG LEU 34 HG LEU 34 -0.053 7.094 0.603 277 1HD1 LEU 34 1HD1 LEU 34 -2.423 6.569 0.455 278 2HD1 LEU 34 2HD1 LEU 34 -2.022 7.156 2.069 279 3HD1 LEU 34 3HD1 LEU 34 -2.267 5.432 1.792 280 1HD2 LEU 34 1HD2 LEU 34 0.258 6.803 2.988 281 2HD2 LEU 34 2HD2 LEU 34 1.425 5.822 2.101 282 3HD2 LEU 34 3HD2 LEU 34 0.008 5.065 2.830 283 H ALA 35 H ALA 35 2.068 2.818 0.560 284 HA ALA 35 HA ALA 35 1.603 1.194 -1.851 285 1HB ALA 35 1HB ALA 35 4.002 1.603 -1.603 286 2HB ALA 35 2HB ALA 35 3.617 -0.097 -1.334 287 3HB ALA 35 3HB ALA 35 3.949 0.957 0.039 288 H PHE 36 H PHE 36 0.131 -0.294 -1.484 289 HA PHE 36 HA PHE 36 -0.356 -1.231 1.250 290 1HB PHE 36 2HB PHE 36 -1.960 -1.724 -1.267 291 2HB PHE 36 1HB PHE 36 -2.440 -2.151 0.371 292 HD1 PHE 36 2HD PHE 36 -2.284 -0.015 2.038 293 HD2 PHE 36 1HD PHE 36 -2.986 0.110 -2.153 294 HE1 PHE 36 2HE PHE 36 -3.379 2.177 2.290 295 HE2 PHE 36 1HE PHE 36 -4.075 2.300 -1.912 296 HZ PHE 36 HZ PHE 36 -4.274 3.338 0.312 297 HA PRO 37 HA PRO 37 2.130 -4.697 -0.274 298 1HB PRO 37 2HB PRO 37 2.667 -5.380 2.470 299 2HB PRO 37 1HB PRO 37 3.760 -4.664 1.285 300 1HG PRO 37 2HG PRO 37 2.824 -3.352 3.509 301 2HG PRO 37 1HG PRO 37 3.378 -2.543 2.034 302 1HD PRO 37 2HD PRO 37 0.589 -3.137 2.942 303 2HD PRO 37 1HD PRO 37 1.229 -1.688 2.136 304 H VAL 38 H VAL 38 1.642 -6.792 -0.594 305 HA VAL 38 HA VAL 38 -0.706 -7.903 0.683 306 HB VAL 38 HB VAL 38 1.153 -9.136 -1.359 307 1HG1 VAL 38 1HG1 VAL 38 -0.054 -10.830 -0.070 308 2HG1 VAL 38 2HG1 VAL 38 -0.646 -10.756 -1.729 309 3HG1 VAL 38 3HG1 VAL 38 -1.581 -10.020 -0.428 310 1HG2 VAL 38 1HG2 VAL 38 -1.518 -7.764 -1.681 311 2HG2 VAL 38 2HG2 VAL 38 -0.679 -8.652 -2.953 312 3HG2 VAL 38 3HG2 VAL 38 0.042 -7.192 -2.276 313 H ARG 39 H ARG 39 -0.367 -8.466 2.730 314 HA ARG 39 HA ARG 39 2.122 -9.625 3.600 315 1HB ARG 39 2HB ARG 39 0.987 -8.086 5.079 316 2HB ARG 39 1HB ARG 39 -0.470 -9.072 5.056 317 1HG ARG 39 2HG ARG 39 0.719 -10.864 6.212 318 2HG ARG 39 1HG ARG 39 2.188 -9.884 6.221 319 1HD ARG 39 2HD ARG 39 1.201 -8.267 7.656 320 2HD ARG 39 1HD ARG 39 -0.401 -8.979 7.461 321 HE ARG 39 HE ARG 39 0.905 -11.017 8.550 322 1HH1 ARG 39 1HH1 ARG 39 0.988 -7.612 9.417 323 2HH1 ARG 39 2HH1 ARG 39 1.206 -7.930 11.116 324 1HH2 ARG 39 1HH2 ARG 39 1.180 -11.422 10.761 325 2HH2 ARG 39 2HH2 ARG 39 1.285 -10.100 11.886 326 H ASP 40 H ASP 40 2.297 -11.559 2.523 327 HA ASP 40 HA ASP 40 2.193 -13.815 2.306 328 1HB ASP 40 2HB ASP 40 2.435 -13.584 4.812 329 2HB ASP 40 1HB ASP 40 0.693 -13.800 4.930 330 H GLY 41 H GLY 41 -0.006 -12.173 1.239 331 1HA GLY 41 2HA GLY 41 -1.525 -13.372 -0.302 332 2HA GLY 41 1HA GLY 41 -2.027 -14.324 1.084 333 H VAL 42 H VAL 42 -1.812 -11.593 2.601 334 HA VAL 42 HA VAL 42 -4.504 -10.685 1.804 335 HB VAL 42 HB VAL 42 -3.206 -10.487 4.531 336 1HG1 VAL 42 1HG1 VAL 42 -5.407 -9.751 5.305 337 2HG1 VAL 42 2HG1 VAL 42 -6.006 -9.793 3.647 338 3HG1 VAL 42 3HG1 VAL 42 -4.746 -8.645 4.101 339 1HG2 VAL 42 1HG2 VAL 42 -3.792 -12.792 3.960 340 2HG2 VAL 42 2HG2 VAL 42 -5.436 -12.283 3.578 341 3HG2 VAL 42 3HG2 VAL 42 -4.840 -12.164 5.233 342 HA PRO 43 HA PRO 43 -2.172 -6.952 0.744 343 1HB PRO 43 2HB PRO 43 -4.300 -5.699 -0.409 344 2HB PRO 43 1HB PRO 43 -3.291 -6.880 -1.251 345 1HG PRO 43 2HG PRO 43 -5.954 -7.255 0.061 346 2HG PRO 43 1HG PRO 43 -5.366 -7.897 -1.485 347 1HD PRO 43 2HD PRO 43 -5.455 -9.395 0.759 348 2HD PRO 43 1HD PRO 43 -4.194 -9.609 -0.472 349 H ILE 44 H ILE 44 -1.762 -5.613 2.378 350 HA ILE 44 HA ILE 44 -3.813 -4.860 4.257 351 HB ILE 44 HB ILE 44 -0.975 -3.831 4.046 352 1HG1 ILE 44 2HG1 ILE 44 -1.010 -6.259 4.372 353 2HG1 ILE 44 1HG1 ILE 44 -0.456 -5.446 5.832 354 1HG2 ILE 44 1HG2 ILE 44 -2.417 -2.356 5.331 355 2HG2 ILE 44 2HG2 ILE 44 -1.278 -3.181 6.393 356 3HG2 ILE 44 3HG2 ILE 44 -2.957 -3.714 6.320 357 1HD1 ILE 44 1HD1 ILE 44 -2.678 -5.728 6.815 358 2HD1 ILE 44 2HD1 ILE 44 -1.948 -7.271 6.373 359 3HD1 ILE 44 3HD1 ILE 44 -3.209 -6.567 5.358 360 H MET 45 H MET 45 -5.312 -3.705 3.080 361 HA MET 45 HA MET 45 -4.418 -1.347 1.618 362 1HB MET 45 2HB MET 45 -7.145 -2.634 1.835 363 2HB MET 45 1HB MET 45 -6.771 -1.234 0.839 364 1HG MET 45 2HG MET 45 -5.191 -2.571 -0.456 365 2HG MET 45 1HG MET 45 -5.549 -3.971 0.546 366 1HE MET 45 1HE MET 45 -6.913 -1.460 -2.133 367 2HE MET 45 2HE MET 45 -8.080 -1.257 -0.826 368 3HE MET 45 3HE MET 45 -8.574 -2.015 -2.341 369 H LEU 46 H LEU 46 -4.675 -1.747 4.664 370 HA LEU 46 HA LEU 46 -6.475 0.425 5.364 371 1HB LEU 46 2HB LEU 46 -4.590 -1.207 7.079 372 2HB LEU 46 1HB LEU 46 -5.720 -0.010 7.681 373 HG LEU 46 HG LEU 46 -6.475 -2.585 6.292 374 1HD1 LEU 46 1HD1 LEU 46 -6.654 -1.771 9.192 375 2HD1 LEU 46 2HD1 LEU 46 -5.548 -2.965 8.513 376 3HD1 LEU 46 3HD1 LEU 46 -7.286 -3.264 8.500 377 1HD2 LEU 46 1HD2 LEU 46 -8.190 -0.478 7.609 378 2HD2 LEU 46 2HD2 LEU 46 -8.757 -2.013 6.951 379 3HD2 LEU 46 3HD2 LEU 46 -8.081 -0.788 5.877 380 H GLU 47 H GLU 47 -5.844 2.481 5.423 381 HA GLU 47 HA GLU 47 -3.340 3.309 4.507 382 1HB GLU 47 2HB GLU 47 -5.039 5.058 6.266 383 2HB GLU 47 1HB GLU 47 -4.037 5.518 4.899 384 1HG GLU 47 2HG GLU 47 -6.058 5.682 3.908 385 2HG GLU 47 1HG GLU 47 -5.765 3.968 3.610 386 H ALA 48 H ALA 48 -4.557 2.912 7.784 387 HA ALA 48 HA ALA 48 -2.441 4.203 9.124 388 1HB ALA 48 1HB ALA 48 -3.283 3.139 11.127 389 2HB ALA 48 2HB ALA 48 -4.221 2.001 10.158 390 3HB ALA 48 3HB ALA 48 -4.625 3.717 10.140 391 H GLU 49 H GLU 49 -2.741 0.956 7.853 392 HA GLU 49 HA GLU 49 -0.221 0.232 9.193 393 1HB GLU 49 2HB GLU 49 -2.405 -1.576 8.148 394 2HB GLU 49 1HB GLU 49 -0.897 -2.122 8.868 395 1HG GLU 49 2HG GLU 49 -1.571 -0.862 10.944 396 2HG GLU 49 1HG GLU 49 -3.156 -0.660 10.199 397 H ALA 50 H ALA 50 -0.987 1.560 6.485 398 HA ALA 50 HA ALA 50 0.325 -0.255 4.632 399 1HB ALA 50 1HB ALA 50 -1.607 1.001 3.842 400 2HB ALA 50 2HB ALA 50 -0.160 1.453 2.941 401 3HB ALA 50 3HB ALA 50 -0.784 2.518 4.201 402 H ARG 51 H ARG 51 2.134 0.552 3.297 403 HA ARG 51 HA ARG 51 3.997 2.082 4.970 404 1HB ARG 51 2HB ARG 51 4.791 -0.118 4.229 405 2HB ARG 51 1HB ARG 51 4.533 0.340 2.553 406 1HG ARG 51 2HG ARG 51 6.237 2.064 2.737 407 2HG ARG 51 1HG ARG 51 6.471 1.667 4.438 408 1HD ARG 51 2HD ARG 51 7.205 -0.581 3.813 409 2HD ARG 51 1HD ARG 51 6.964 -0.186 2.110 410 HE ARG 51 HE ARG 51 8.671 1.707 2.717 411 1HH1 ARG 51 1HH1 ARG 51 8.744 -1.661 3.718 412 2HH1 ARG 51 2HH1 ARG 51 10.462 -1.670 3.983 413 1HH2 ARG 51 1HH2 ARG 51 10.908 1.677 3.001 414 2HH2 ARG 51 2HH2 ARG 51 11.698 0.223 3.543 415 H SER 52 H SER 52 4.167 4.166 4.528 416 HA SER 52 HA SER 52 3.449 5.146 1.891 417 1HB SER 52 2HB SER 52 2.526 6.392 3.679 418 2HB SER 52 1HB SER 52 4.083 6.545 4.475 419 HG SER 52 HG SER 52 3.040 8.307 2.968 420 H LEU 53 H LEU 53 4.771 6.488 0.685 421 HA LEU 53 HA LEU 53 7.624 5.876 0.975 422 1HB LEU 53 2HB LEU 53 6.132 7.115 -1.341 423 2HB LEU 53 1HB LEU 53 7.832 6.687 -1.335 424 HG LEU 53 HG LEU 53 5.547 4.725 -1.088 425 1HD1 LEU 53 1HD1 LEU 53 6.159 4.042 -3.343 426 2HD1 LEU 53 2HD1 LEU 53 7.393 5.301 -3.401 427 3HD1 LEU 53 3HD1 LEU 53 5.688 5.741 -3.310 428 1HD2 LEU 53 1HD2 LEU 53 8.515 4.274 -1.388 429 2HD2 LEU 53 2HD2 LEU 53 7.273 3.022 -1.353 430 3HD2 LEU 53 3HD2 LEU 53 7.577 4.006 0.079 431 H ASP 54 H ASP 54 5.400 8.267 1.625 432 HA ASP 54 HA ASP 54 7.384 10.424 1.503 433 1HB ASP 54 2HB ASP 54 5.131 10.827 0.502 434 2HB ASP 54 1HB ASP 54 4.419 10.588 2.094 435 H ALA 55 H ALA 55 5.281 8.617 3.642 436 HA ALA 55 HA ALA 55 6.328 10.024 5.985 437 1HB ALA 55 1HB ALA 55 3.917 9.714 5.864 438 2HB ALA 55 2HB ALA 55 4.596 8.821 7.226 439 3HB ALA 55 3HB ALA 55 4.134 7.967 5.754 440 H GLU 56 H GLU 56 7.915 8.149 4.334 441 HA GLU 56 HA GLU 56 8.326 5.847 6.054 442 1HB GLU 56 2HB GLU 56 8.459 5.802 3.509 443 2HB GLU 56 1HB GLU 56 9.977 6.671 3.663 444 1HG GLU 56 2HG GLU 56 10.913 4.824 4.955 445 2HG GLU 56 1HG GLU 56 9.387 3.952 4.817 446 H ALA 57 H ALA 57 8.816 8.655 6.852 447 HA ALA 57 HA ALA 57 11.683 8.553 7.480 448 1HB ALA 57 1HB ALA 57 9.771 10.881 7.658 449 2HB ALA 57 2HB ALA 57 10.936 10.597 6.365 450 3HB ALA 57 3HB ALA 57 11.500 10.927 8.002 451 HA PRO 58 HA PRO 58 10.086 7.205 11.485 452 1HB PRO 58 2HB PRO 58 12.537 6.583 12.509 453 2HB PRO 58 1HB PRO 58 11.619 5.502 11.455 454 1HG PRO 58 2HG PRO 58 13.881 7.337 10.780 455 2HG PRO 58 1HG PRO 58 13.576 5.682 10.221 456 1HD PRO 58 2HD PRO 58 13.023 7.856 8.710 457 2HD PRO 58 1HD PRO 58 12.059 6.368 8.628 458 H ALA 59 H ALA 59 9.784 8.336 13.301 459 HA ALA 59 HA ALA 59 11.265 10.838 13.618 460 1HB ALA 59 1HB ALA 59 9.491 11.471 15.165 461 2HB ALA 59 2HB ALA 59 8.780 9.863 15.027 462 3HB ALA 59 3HB ALA 59 8.814 10.935 13.626 463 H GLN 60 H GLN 60 11.469 7.727 14.616 464 HA GLN 60 HA GLN 60 12.315 8.214 17.344 465 1HB GLN 60 2HB GLN 60 12.497 5.694 15.671 466 2HB GLN 60 1HB GLN 60 12.761 5.804 17.404 467 1HG GLN 60 2HG GLN 60 10.161 6.349 15.991 468 2HG GLN 60 1HG GLN 60 10.572 4.876 16.868 469 1HE2 GLN 60 1HE2 GLN 60 10.635 4.906 19.110 470 2HE2 GLN 60 2HE2 GLN 60 9.942 6.195 20.029 471 HA PRO 61 HA PRO 61 16.549 8.890 16.202 472 1HB PRO 61 2HB PRO 61 17.714 8.583 18.610 473 2HB PRO 61 1HB PRO 61 16.685 9.972 18.240 474 1HG PRO 61 2HG PRO 61 16.027 7.475 19.753 475 2HG PRO 61 1HG PRO 61 15.596 9.156 20.120 476 1HD PRO 61 2HD PRO 61 13.887 7.387 18.924 477 2HD PRO 61 1HD PRO 61 13.807 9.142 18.690 478 H SER 62 H SER 62 18.783 7.767 17.069 479 HA SER 62 HA SER 62 18.642 5.087 16.035 480 1HB SER 62 2HB SER 62 20.988 6.677 17.099 481 2HB SER 62 1HB SER 62 21.106 5.122 16.275 482 HG SER 62 HG SER 62 20.237 7.613 15.238 483 H LEU 63 H LEU 63 20.165 3.447 17.245 484 HA LEU 63 HA LEU 63 20.430 2.007 18.961 485 1HB LEU 63 2HB LEU 63 20.020 4.524 20.546 486 2HB LEU 63 1HB LEU 63 20.189 2.973 21.341 487 HG LEU 63 HG LEU 63 22.411 2.724 20.156 488 1HD1 LEU 63 1HD1 LEU 63 21.968 5.647 19.573 489 2HD1 LEU 63 2HD1 LEU 63 22.098 4.348 18.386 490 3HD1 LEU 63 3HD1 LEU 63 23.491 4.781 19.377 491 1HD2 LEU 63 1HD2 LEU 63 23.583 4.213 21.726 492 2HD2 LEU 63 2HD2 LEU 63 22.286 3.300 22.496 493 3HD2 LEU 63 3HD2 LEU 63 22.048 4.999 22.095 494 H GLU 64 H GLU 64 17.688 2.832 17.838 495 HA GLU 64 HA GLU 64 15.746 2.159 19.773 496 1HB GLU 64 2HB GLU 64 15.864 2.361 16.825 497 2HB GLU 64 1HB GLU 64 14.640 1.266 17.455 498 1HG GLU 64 2HG GLU 64 14.927 4.125 18.339 499 2HG GLU 64 1HG GLU 64 13.863 3.601 17.033 500 H HIS 65 H HIS 65 15.040 0.225 20.525 501 HA HIS 65 HA HIS 65 16.660 -2.103 19.928 502 1HB HIS 65 2HB HIS 65 14.361 -1.675 21.846 503 2HB HIS 65 1HB HIS 65 15.187 -3.218 21.657 504 HD1 HIS 65 1HD HIS 65 18.033 -2.750 21.904 505 HD2 HIS 65 2HD HIS 65 15.318 -0.383 23.989 506 HE1 HIS 65 1HE HIS 65 19.317 -1.774 23.826 507 HE2 HIS 65 2HE HIS 65 17.598 -0.561 25.202 508 H HIS 66 H HIS 66 14.799 -0.971 17.894 509 HA HIS 66 HA HIS 66 12.922 -3.168 17.558 510 1HB HIS 66 2HB HIS 66 13.185 -0.461 16.336 511 2HB HIS 66 1HB HIS 66 12.376 -1.719 15.407 512 HD1 HIS 66 1HD HIS 66 11.742 0.792 17.963 513 HD2 HIS 66 2HD HIS 66 10.136 -2.908 16.902 514 HE1 HIS 66 1HE HIS 66 9.480 0.683 19.057 515 HE2 HIS 66 2HE HIS 66 8.633 -1.645 18.585 516 H HIS 67 H HIS 67 14.412 -4.790 17.191 517 HA HIS 67 HA HIS 67 15.827 -4.714 14.613 518 1HB HIS 67 2HB HIS 67 17.165 -5.330 16.605 519 2HB HIS 67 1HB HIS 67 16.062 -6.658 16.934 520 HD1 HIS 67 1HD HIS 67 18.964 -5.679 14.827 521 HD2 HIS 67 2HD HIS 67 16.328 -8.876 15.198 522 HE1 HIS 67 1HE HIS 67 20.004 -7.573 13.536 523 HE2 HIS 67 2HE HIS 67 18.502 -9.554 13.980 524 H HIS 68 H HIS 68 15.150 -6.047 12.952 525 HA HIS 68 HA HIS 68 12.461 -6.906 13.125 526 1HB HIS 68 2HB HIS 68 12.680 -7.717 10.839 527 2HB HIS 68 1HB HIS 68 13.397 -6.124 11.000 528 HD1 HIS 68 1HD HIS 68 15.639 -5.863 9.997 529 HD2 HIS 68 2HD HIS 68 14.763 -9.851 10.801 530 HE1 HIS 68 1HE HIS 68 17.525 -7.191 8.997 531 HE2 HIS 68 2HE HIS 68 16.878 -9.601 9.331 532 H HIS 69 H HIS 69 11.545 -8.768 13.582 533 HA HIS 69 HA HIS 69 13.223 -10.998 14.417 534 1HB HIS 69 2HB HIS 69 11.254 -10.131 15.778 535 2HB HIS 69 1HB HIS 69 10.203 -10.796 14.535 536 HD1 HIS 69 1HD HIS 69 9.486 -13.151 14.868 537 HD2 HIS 69 2HD HIS 69 12.905 -12.227 17.052 538 HE1 HIS 69 1HE HIS 69 9.954 -15.173 16.291 539 HE2 HIS 69 2HE HIS 69 11.911 -14.514 17.738 540 H HIS 70 H HIS 70 12.087 -9.947 11.611 541 HA HIS 70 HA HIS 70 11.254 -12.524 10.523 542 1HB HIS 70 2HB HIS 70 10.027 -10.354 10.002 543 2HB HIS 70 1HB HIS 70 11.448 -9.870 9.087 544 HD1 HIS 70 1HD HIS 70 8.318 -11.680 8.815 545 HD2 HIS 70 2HD HIS 70 11.947 -11.613 6.781 546 HE1 HIS 70 1HE HIS 70 7.866 -12.758 6.584 547 HE2 HIS 70 2HE HIS 70 10.084 -12.758 5.383 Start of MODEL 4 1 1H MET 1 1H MET 1 -6.025 -22.365 -14.967 2 2H MET 1 2H MET 1 -7.039 -22.650 -13.642 3 3H MET 1 3H MET 1 -5.362 -22.581 -13.419 4 HA MET 1 HA MET 1 -7.116 -20.352 -14.258 5 1HB MET 1 2HB MET 1 -5.706 -20.958 -11.655 6 2HB MET 1 1HB MET 1 -6.356 -19.374 -12.050 7 1HG MET 1 2HG MET 1 -7.919 -20.513 -10.664 8 2HG MET 1 1HG MET 1 -8.593 -20.407 -12.286 9 1HE MET 1 1HE MET 1 -10.405 -22.240 -11.741 10 2HE MET 1 2HE MET 1 -9.796 -22.341 -10.092 11 3HE MET 1 3HE MET 1 -10.038 -23.813 -11.032 12 H GLU 2 H GLU 2 -6.153 -18.894 -15.418 13 HA GLU 2 HA GLU 2 -3.354 -18.204 -14.907 14 1HB GLU 2 2HB GLU 2 -4.506 -18.814 -17.636 15 2HB GLU 2 1HB GLU 2 -3.009 -17.927 -17.396 16 1HG GLU 2 2HG GLU 2 -2.012 -19.857 -16.323 17 2HG GLU 2 1HG GLU 2 -3.526 -20.748 -16.488 18 H SER 3 H SER 3 -4.170 -16.374 -13.864 19 HA SER 3 HA SER 3 -5.059 -14.245 -15.633 20 1HB SER 3 2HB SER 3 -6.723 -15.095 -13.247 21 2HB SER 3 1HB SER 3 -7.025 -13.685 -14.260 22 HG SER 3 HG SER 3 -6.880 -15.612 -15.954 23 H ARG 4 H ARG 4 -3.979 -12.468 -15.123 24 HA ARG 4 HA ARG 4 -2.800 -12.262 -12.444 25 1HB ARG 4 2HB ARG 4 -2.164 -10.728 -14.974 26 2HB ARG 4 1HB ARG 4 -1.338 -10.537 -13.433 27 1HG ARG 4 2HG ARG 4 -0.600 -12.880 -13.568 28 2HG ARG 4 1HG ARG 4 -1.371 -13.009 -15.151 29 1HD ARG 4 2HD ARG 4 0.846 -11.101 -14.417 30 2HD ARG 4 1HD ARG 4 1.034 -12.589 -15.343 31 HE ARG 4 HE ARG 4 -0.607 -11.446 -16.956 32 1HH1 ARG 4 1HH1 ARG 4 1.762 -9.758 -15.000 33 2HH1 ARG 4 2HH1 ARG 4 1.944 -8.444 -16.129 34 1HH2 ARG 4 1HH2 ARG 4 -0.351 -9.755 -18.446 35 2HH2 ARG 4 2HH2 ARG 4 0.717 -8.428 -18.091 36 H LEU 5 H LEU 5 -4.547 -11.504 -11.279 37 HA LEU 5 HA LEU 5 -6.045 -9.232 -12.299 38 1HB LEU 5 2HB LEU 5 -6.442 -10.876 -9.799 39 2HB LEU 5 1HB LEU 5 -7.522 -9.615 -10.362 40 HG LEU 5 HG LEU 5 -6.938 -12.203 -11.801 41 1HD1 LEU 5 1HD1 LEU 5 -9.285 -12.724 -11.280 42 2HD1 LEU 5 2HD1 LEU 5 -9.375 -11.258 -10.303 43 3HD1 LEU 5 3HD1 LEU 5 -8.290 -12.566 -9.834 44 1HD2 LEU 5 1HD2 LEU 5 -8.862 -9.983 -12.483 45 2HD2 LEU 5 2HD2 LEU 5 -8.707 -11.523 -13.331 46 3HD2 LEU 5 3HD2 LEU 5 -7.375 -10.367 -13.352 47 H LEU 6 H LEU 6 -3.814 -8.124 -12.028 48 HA LEU 6 HA LEU 6 -3.801 -6.794 -9.399 49 1HB LEU 6 2HB LEU 6 -1.524 -7.254 -11.332 50 2HB LEU 6 1HB LEU 6 -1.426 -6.155 -9.973 51 HG LEU 6 HG LEU 6 -1.990 -8.201 -8.520 52 1HD1 LEU 6 1HD1 LEU 6 -1.081 -9.601 -11.027 53 2HD1 LEU 6 2HD1 LEU 6 -2.678 -9.716 -10.290 54 3HD1 LEU 6 3HD1 LEU 6 -1.267 -10.346 -9.441 55 1HD2 LEU 6 1HD2 LEU 6 0.360 -8.838 -8.414 56 2HD2 LEU 6 2HD2 LEU 6 0.175 -7.088 -8.546 57 3HD2 LEU 6 3HD2 LEU 6 0.652 -8.034 -9.956 58 H ASP 7 H ASP 7 -2.568 -4.537 -9.788 59 HA ASP 7 HA ASP 7 -2.721 -2.413 -10.559 60 1HB ASP 7 2HB ASP 7 -3.408 -3.727 -13.199 61 2HB ASP 7 1HB ASP 7 -2.961 -2.038 -12.982 62 H ILE 8 H ILE 8 -5.067 -3.922 -9.543 63 HA ILE 8 HA ILE 8 -7.298 -2.574 -10.891 64 HB ILE 8 HB ILE 8 -8.753 -3.989 -9.470 65 1HG1 ILE 8 2HG1 ILE 8 -6.157 -5.266 -8.575 66 2HG1 ILE 8 1HG1 ILE 8 -7.181 -4.244 -7.574 67 1HG2 ILE 8 1HG2 ILE 8 -8.257 -6.113 -10.596 68 2HG2 ILE 8 2HG2 ILE 8 -6.674 -5.490 -11.057 69 3HG2 ILE 8 3HG2 ILE 8 -8.135 -4.737 -11.692 70 1HD1 ILE 8 1HD1 ILE 8 -7.945 -6.905 -8.741 71 2HD1 ILE 8 2HD1 ILE 8 -8.987 -5.875 -7.759 72 3HD1 ILE 8 3HD1 ILE 8 -7.527 -6.579 -7.059 73 H LEU 9 H LEU 9 -5.297 -2.329 -8.153 74 HA LEU 9 HA LEU 9 -7.224 -0.720 -6.655 75 1HB LEU 9 2HB LEU 9 -4.436 -1.644 -5.947 76 2HB LEU 9 1HB LEU 9 -5.506 -0.756 -4.879 77 HG LEU 9 HG LEU 9 -6.124 -3.492 -5.990 78 1HD1 LEU 9 1HD1 LEU 9 -5.057 -2.714 -3.280 79 2HD1 LEU 9 2HD1 LEU 9 -4.173 -3.585 -4.531 80 3HD1 LEU 9 3HD1 LEU 9 -5.574 -4.329 -3.761 81 1HD2 LEU 9 1HD2 LEU 9 -7.853 -3.515 -4.272 82 2HD2 LEU 9 2HD2 LEU 9 -8.088 -2.173 -5.390 83 3HD2 LEU 9 3HD2 LEU 9 -7.407 -1.878 -3.790 84 H VAL 10 H VAL 10 -7.357 1.292 -7.414 85 HA VAL 10 HA VAL 10 -4.880 2.841 -7.649 86 HB VAL 10 HB VAL 10 -5.820 4.053 -9.609 87 1HG1 VAL 10 1HG1 VAL 10 -5.471 1.088 -10.023 88 2HG1 VAL 10 2HG1 VAL 10 -4.178 2.283 -9.940 89 3HG1 VAL 10 3HG1 VAL 10 -5.336 2.329 -11.269 90 1HG2 VAL 10 1HG2 VAL 10 -8.182 3.549 -9.282 91 2HG2 VAL 10 2HG2 VAL 10 -7.877 1.842 -9.603 92 3HG2 VAL 10 3HG2 VAL 10 -7.656 3.032 -10.886 93 H CYS 11 H CYS 11 -5.178 5.129 -7.408 94 HA CYS 11 HA CYS 11 -7.138 5.895 -5.490 95 1HB CYS 11 2HB CYS 11 -4.959 6.962 -5.523 96 2HB CYS 11 1HB CYS 11 -5.214 7.514 -7.174 97 HG CYS 11 HG CYS 11 -5.361 9.661 -5.302 98 HA PRO 12 HA PRO 12 -10.449 6.791 -8.335 99 1HB PRO 12 2HB PRO 12 -11.525 8.521 -6.212 100 2HB PRO 12 1HB PRO 12 -12.223 7.071 -6.938 101 1HG PRO 12 2HG PRO 12 -11.268 7.073 -4.430 102 2HG PRO 12 1HG PRO 12 -11.131 5.654 -5.485 103 1HD PRO 12 2HD PRO 12 -9.053 7.699 -4.783 104 2HD PRO 12 1HD PRO 12 -8.895 5.935 -4.938 105 H VAL 13 H VAL 13 -8.588 9.226 -6.688 106 HA VAL 13 HA VAL 13 -9.745 11.419 -8.173 107 HB VAL 13 HB VAL 13 -7.327 11.448 -6.359 108 1HG1 VAL 13 1HG1 VAL 13 -9.103 13.671 -7.360 109 2HG1 VAL 13 2HG1 VAL 13 -7.420 13.389 -7.809 110 3HG1 VAL 13 3HG1 VAL 13 -7.827 13.851 -6.157 111 1HG2 VAL 13 1HG2 VAL 13 -10.214 12.041 -5.718 112 2HG2 VAL 13 2HG2 VAL 13 -8.846 12.261 -4.625 113 3HG2 VAL 13 3HG2 VAL 13 -9.294 10.641 -5.163 114 H CYS 14 H CYS 14 -6.357 10.371 -7.789 115 HA CYS 14 HA CYS 14 -5.744 11.636 -10.339 116 1HB CYS 14 2HB CYS 14 -3.905 10.440 -8.256 117 2HB CYS 14 1HB CYS 14 -3.394 11.343 -9.678 118 HG CYS 14 HG CYS 14 -4.155 12.465 -6.709 119 H LYS 15 H LYS 15 -6.820 8.687 -9.536 120 HA LYS 15 HA LYS 15 -6.652 6.566 -10.314 121 1HB LYS 15 2HB LYS 15 -5.838 8.126 -12.761 122 2HB LYS 15 1HB LYS 15 -6.151 6.395 -12.778 123 1HG LYS 15 2HG LYS 15 -8.125 8.514 -11.959 124 2HG LYS 15 1HG LYS 15 -8.087 7.693 -13.516 125 1HD LYS 15 2HD LYS 15 -8.470 5.548 -12.398 126 2HD LYS 15 1HD LYS 15 -8.488 6.369 -10.837 127 1HE LYS 15 2HE LYS 15 -10.752 5.933 -11.575 128 2HE LYS 15 1HE LYS 15 -10.444 7.668 -11.558 129 1HZ LYS 15 1HZ LYS 15 -10.122 7.616 -13.943 130 2HZ LYS 15 2HZ LYS 15 -11.641 6.965 -13.554 131 3HZ LYS 15 3HZ LYS 15 -10.361 5.935 -13.975 132 H GLY 16 H GLY 16 -4.302 7.693 -9.000 133 1HA GLY 16 2HA GLY 16 -1.996 6.549 -10.254 134 2HA GLY 16 1HA GLY 16 -2.082 7.199 -8.619 135 H ARG 17 H ARG 17 -1.168 4.579 -10.017 136 HA ARG 17 HA ARG 17 -2.703 2.475 -8.936 137 1HB ARG 17 2HB ARG 17 0.204 2.555 -9.765 138 2HB ARG 17 1HB ARG 17 -0.690 1.086 -9.400 139 1HG ARG 17 2HG ARG 17 -2.082 1.343 -11.286 140 2HG ARG 17 1HG ARG 17 -1.555 3.007 -11.540 141 1HD ARG 17 2HD ARG 17 0.690 2.215 -12.091 142 2HD ARG 17 1HD ARG 17 0.177 0.551 -11.818 143 HE ARG 17 HE ARG 17 -0.717 0.529 -13.913 144 1HH1 ARG 17 1HH1 ARG 17 -0.297 3.875 -12.955 145 2HH1 ARG 17 2HH1 ARG 17 -0.746 4.512 -14.499 146 1HH2 ARG 17 1HH2 ARG 17 -1.315 1.371 -15.964 147 2HH2 ARG 17 2HH2 ARG 17 -1.320 3.097 -16.211 148 H LEU 18 H LEU 18 -2.651 1.451 -7.013 149 HA LEU 18 HA LEU 18 -1.165 2.715 -4.871 150 1HB LEU 18 2HB LEU 18 -3.061 0.361 -4.788 151 2HB LEU 18 1HB LEU 18 -2.428 1.224 -3.401 152 HG LEU 18 HG LEU 18 -4.308 2.352 -5.479 153 1HD1 LEU 18 1HD1 LEU 18 -4.732 1.653 -2.576 154 2HD1 LEU 18 2HD1 LEU 18 -5.378 0.775 -3.962 155 3HD1 LEU 18 3HD1 LEU 18 -5.910 2.423 -3.637 156 1HD2 LEU 18 1HD2 LEU 18 -2.776 4.058 -4.657 157 2HD2 LEU 18 2HD2 LEU 18 -3.164 3.621 -2.993 158 3HD2 LEU 18 3HD2 LEU 18 -4.405 4.321 -4.033 159 H GLU 19 H GLU 19 0.301 1.631 -3.512 160 HA GLU 19 HA GLU 19 1.452 -0.832 -4.644 161 1HB GLU 19 2HB GLU 19 2.858 1.629 -3.619 162 2HB GLU 19 1HB GLU 19 3.670 0.080 -3.713 163 1HG GLU 19 2HG GLU 19 2.668 0.242 -6.204 164 2HG GLU 19 1HG GLU 19 2.908 1.953 -5.842 165 H PHE 20 H PHE 20 1.890 -2.442 -3.230 166 HA PHE 20 HA PHE 20 0.689 -2.100 -0.612 167 1HB PHE 20 2HB PHE 20 0.035 -4.008 -2.044 168 2HB PHE 20 1HB PHE 20 1.687 -4.612 -1.968 169 HD1 PHE 20 1HD PHE 20 -1.290 -3.845 0.100 170 HD2 PHE 20 2HD PHE 20 2.391 -5.960 -0.192 171 HE1 PHE 20 1HE PHE 20 -1.850 -5.089 2.143 172 HE2 PHE 20 2HE PHE 20 1.839 -7.207 1.858 173 HZ PHE 20 HZ PHE 20 -0.288 -6.772 3.026 174 H GLN 21 H GLN 21 1.893 -1.510 1.022 175 HA GLN 21 HA GLN 21 4.711 -2.141 1.172 176 1HB GLN 21 2HB GLN 21 2.844 -0.758 3.111 177 2HB GLN 21 1HB GLN 21 4.568 -0.960 3.368 178 1HG GLN 21 2HG GLN 21 3.365 0.528 1.050 179 2HG GLN 21 1HG GLN 21 3.903 1.281 2.549 180 1HE2 GLN 21 1HE2 GLN 21 5.452 2.523 1.586 181 2HE2 GLN 21 2HE2 GLN 21 6.913 1.864 0.926 182 H ARG 22 H ARG 22 5.226 -4.172 1.679 183 HA ARG 22 HA ARG 22 3.572 -5.846 3.301 184 1HB ARG 22 2HB ARG 22 6.351 -6.183 2.189 185 2HB ARG 22 1HB ARG 22 5.597 -7.390 3.223 186 1HG ARG 22 2HG ARG 22 3.793 -7.663 1.630 187 2HG ARG 22 1HG ARG 22 4.491 -6.410 0.603 188 1HD ARG 22 2HD ARG 22 6.437 -7.763 0.190 189 2HD ARG 22 1HD ARG 22 5.889 -8.976 1.350 190 HE ARG 22 HE ARG 22 3.992 -9.380 -0.185 191 1HH1 ARG 22 1HH1 ARG 22 6.931 -7.939 -1.441 192 2HH1 ARG 22 2HH1 ARG 22 6.616 -8.420 -3.079 193 1HH2 ARG 22 1HH2 ARG 22 3.576 -10.010 -2.317 194 2HH2 ARG 22 2HH2 ARG 22 4.716 -9.622 -3.572 195 H ALA 23 H ALA 23 3.325 -4.706 5.196 196 HA ALA 23 HA ALA 23 5.215 -5.235 7.245 197 1HB ALA 23 1HB ALA 23 4.906 -2.338 6.441 198 2HB ALA 23 2HB ALA 23 6.365 -3.310 6.247 199 3HB ALA 23 3HB ALA 23 5.766 -2.930 7.863 200 H GLN 24 H GLN 24 2.789 -2.735 6.480 201 HA GLN 24 HA GLN 24 1.238 -3.671 8.804 202 1HB GLN 24 2HB GLN 24 1.264 -0.827 7.805 203 2HB GLN 24 1HB GLN 24 0.619 -1.438 9.322 204 1HG GLN 24 2HG GLN 24 2.917 -1.987 10.040 205 2HG GLN 24 1HG GLN 24 3.525 -1.262 8.552 206 1HE2 GLN 24 1HE2 GLN 24 3.257 0.993 8.235 207 2HE2 GLN 24 2HE2 GLN 24 3.066 2.051 9.595 208 H ALA 25 H ALA 25 1.175 -4.188 5.820 209 HA ALA 25 HA ALA 25 -0.257 -4.329 4.074 210 1HB ALA 25 1HB ALA 25 -2.354 -4.228 6.242 211 2HB ALA 25 2HB ALA 25 -1.501 -5.673 5.695 212 3HB ALA 25 3HB ALA 25 -2.582 -4.816 4.594 213 H GLU 26 H GLU 26 0.603 -2.060 3.708 214 HA GLU 26 HA GLU 26 -1.604 -0.105 3.783 215 1HB GLU 26 2HB GLU 26 1.367 0.466 3.774 216 2HB GLU 26 1HB GLU 26 0.078 1.657 3.878 217 1HG GLU 26 2HG GLU 26 -0.580 0.805 6.038 218 2HG GLU 26 1HG GLU 26 0.635 -0.469 5.933 219 H LEU 27 H LEU 27 -2.351 0.541 1.852 220 HA LEU 27 HA LEU 27 -0.718 0.051 -0.535 221 1HB LEU 27 2HB LEU 27 -3.584 0.959 -0.322 222 2HB LEU 27 1HB LEU 27 -2.749 0.560 -1.797 223 HG LEU 27 HG LEU 27 -3.325 -1.406 0.415 224 1HD1 LEU 27 1HD1 LEU 27 -5.002 -2.317 -1.111 225 2HD1 LEU 27 2HD1 LEU 27 -4.675 -1.012 -2.252 226 3HD1 LEU 27 3HD1 LEU 27 -5.374 -0.649 -0.674 227 1HD2 LEU 27 1HD2 LEU 27 -2.614 -3.079 -1.183 228 2HD2 LEU 27 2HD2 LEU 27 -1.323 -1.901 -0.943 229 3HD2 LEU 27 3HD2 LEU 27 -2.320 -1.833 -2.395 230 H VAL 28 H VAL 28 0.672 1.661 -0.866 231 HA VAL 28 HA VAL 28 -0.057 4.390 -0.193 232 HB VAL 28 HB VAL 28 2.507 3.357 -1.419 233 1HG1 VAL 28 1HG1 VAL 28 2.121 5.727 -1.836 234 2HG1 VAL 28 2HG1 VAL 28 3.460 5.483 -0.716 235 3HG1 VAL 28 3HG1 VAL 28 1.887 6.001 -0.110 236 1HG2 VAL 28 1HG2 VAL 28 1.846 3.971 1.459 237 2HG2 VAL 28 2HG2 VAL 28 3.442 3.546 0.836 238 3HG2 VAL 28 3HG2 VAL 28 2.127 2.372 0.768 239 H CYS 29 H CYS 29 -1.099 5.638 -1.581 240 HA CYS 29 HA CYS 29 -1.234 5.151 -4.380 241 1HB CYS 29 2HB CYS 29 -2.997 6.426 -3.255 242 2HB CYS 29 1HB CYS 29 -1.837 7.676 -2.815 243 HG CYS 29 HG CYS 29 -3.266 8.822 -4.841 244 H ASN 30 H ASN 30 0.412 5.356 -5.712 245 HA ASN 30 HA ASN 30 2.777 6.750 -4.883 246 1HB ASN 30 2HB ASN 30 2.295 4.567 -6.462 247 2HB ASN 30 1HB ASN 30 2.610 5.800 -7.677 248 1HD2 ASN 30 1HD2 ASN 30 3.922 3.962 -5.050 249 2HD2 ASN 30 2HD2 ASN 30 5.581 4.322 -5.348 250 H ALA 31 H ALA 31 0.102 8.052 -5.823 251 HA ALA 31 HA ALA 31 1.385 10.090 -7.511 252 1HB ALA 31 1HB ALA 31 -0.863 10.678 -8.290 253 2HB ALA 31 2HB ALA 31 -1.548 9.412 -7.269 254 3HB ALA 31 3HB ALA 31 -0.495 8.983 -8.617 255 H ASP 32 H ASP 32 -0.952 9.583 -4.886 256 HA ASP 32 HA ASP 32 -0.893 12.429 -4.256 257 1HB ASP 32 2HB ASP 32 -2.606 10.217 -3.114 258 2HB ASP 32 1HB ASP 32 -2.776 11.930 -2.765 259 H ARG 33 H ARG 33 1.024 9.950 -3.385 260 HA ARG 33 HA ARG 33 2.242 9.328 -1.583 261 1HB ARG 33 2HB ARG 33 1.924 12.284 -1.287 262 2HB ARG 33 1HB ARG 33 2.745 11.375 -0.027 263 1HG ARG 33 2HG ARG 33 4.329 12.280 -1.584 264 2HG ARG 33 1HG ARG 33 4.338 10.531 -1.670 265 1HD ARG 33 2HD ARG 33 2.854 10.732 -3.678 266 2HD ARG 33 1HD ARG 33 3.113 12.476 -3.612 267 HE ARG 33 HE ARG 33 5.628 11.539 -3.621 268 1HH1 ARG 33 1HH1 ARG 33 2.888 10.989 -5.716 269 2HH1 ARG 33 2HH1 ARG 33 3.857 10.445 -7.048 270 1HH2 ARG 33 1HH2 ARG 33 6.908 10.885 -5.364 271 2HH2 ARG 33 2HH2 ARG 33 6.155 10.388 -6.852 272 H LEU 34 H LEU 34 -0.317 8.530 -1.260 273 HA LEU 34 HA LEU 34 -0.795 9.031 1.604 274 1HB LEU 34 2HB LEU 34 -2.825 8.831 -0.611 275 2HB LEU 34 1HB LEU 34 -3.245 8.617 1.079 276 HG LEU 34 HG LEU 34 -1.950 11.110 0.004 277 1HD1 LEU 34 1HD1 LEU 34 -4.136 10.796 -1.043 278 2HD1 LEU 34 2HD1 LEU 34 -4.173 12.130 0.110 279 3HD1 LEU 34 3HD1 LEU 34 -4.867 10.569 0.545 280 1HD2 LEU 34 1HD2 LEU 34 -3.382 10.538 2.591 281 2HD2 LEU 34 2HD2 LEU 34 -2.689 12.085 2.107 282 3HD2 LEU 34 3HD2 LEU 34 -1.637 10.698 2.393 283 H ALA 35 H ALA 35 -1.028 7.312 2.846 284 HA ALA 35 HA ALA 35 -0.895 4.670 1.564 285 1HB ALA 35 1HB ALA 35 0.913 5.237 3.116 286 2HB ALA 35 2HB ALA 35 -0.027 3.860 3.685 287 3HB ALA 35 3HB ALA 35 -0.262 5.449 4.413 288 H PHE 36 H PHE 36 -2.646 3.515 1.464 289 HA PHE 36 HA PHE 36 -4.823 4.008 3.376 290 1HB PHE 36 2HB PHE 36 -4.917 2.729 0.636 291 2HB PHE 36 1HB PHE 36 -6.302 3.040 1.673 292 HD1 PHE 36 2HD PHE 36 -6.512 5.583 2.434 293 HD2 PHE 36 1HD PHE 36 -4.467 4.218 -1.029 294 HE1 PHE 36 2HE PHE 36 -6.733 7.820 1.433 295 HE2 PHE 36 1HE PHE 36 -4.676 6.447 -2.039 296 HZ PHE 36 HZ PHE 36 -5.802 8.257 -0.808 297 HA PRO 37 HA PRO 37 -3.461 0.045 4.984 298 1HB PRO 37 2HB PRO 37 -5.600 0.409 6.948 299 2HB PRO 37 1HB PRO 37 -3.855 0.330 7.197 300 1HG PRO 37 2HG PRO 37 -5.249 2.617 7.503 301 2HG PRO 37 1HG PRO 37 -3.576 2.599 6.912 302 1HD PRO 37 2HD PRO 37 -6.131 2.873 5.365 303 2HD PRO 37 1HD PRO 37 -4.596 3.750 5.168 304 H VAL 38 H VAL 38 -4.091 -1.959 4.515 305 HA VAL 38 HA VAL 38 -6.752 -2.417 3.445 306 HB VAL 38 HB VAL 38 -4.497 -4.405 3.818 307 1HG1 VAL 38 1HG1 VAL 38 -6.658 -5.487 3.579 308 2HG1 VAL 38 2HG1 VAL 38 -5.715 -5.704 2.105 309 3HG1 VAL 38 3HG1 VAL 38 -7.012 -4.513 2.150 310 1HG2 VAL 38 1HG2 VAL 38 -5.245 -2.740 1.415 311 2HG2 VAL 38 2HG2 VAL 38 -4.092 -4.072 1.399 312 3HG2 VAL 38 3HG2 VAL 38 -3.757 -2.626 2.353 313 H ARG 39 H ARG 39 -8.369 -2.752 4.855 314 HA ARG 39 HA ARG 39 -7.750 -3.833 7.495 315 1HB ARG 39 2HB ARG 39 -9.125 -1.741 7.196 316 2HB ARG 39 1HB ARG 39 -10.378 -2.738 6.476 317 1HG ARG 39 2HG ARG 39 -10.699 -3.920 8.541 318 2HG ARG 39 1HG ARG 39 -9.326 -3.087 9.277 319 1HD ARG 39 2HD ARG 39 -10.501 -0.944 9.001 320 2HD ARG 39 1HD ARG 39 -11.870 -1.794 8.293 321 HE ARG 39 HE ARG 39 -11.507 -2.969 10.740 322 1HH1 ARG 39 1HH1 ARG 39 -12.069 0.313 9.632 323 2HH1 ARG 39 2HH1 ARG 39 -12.965 0.765 11.049 324 1HH2 ARG 39 1HH2 ARG 39 -12.663 -2.356 12.601 325 2HH2 ARG 39 2HH2 ARG 39 -13.299 -0.742 12.729 326 H ASP 40 H ASP 40 -7.274 -5.874 6.326 327 HA ASP 40 HA ASP 40 -7.717 -8.014 5.754 328 1HB ASP 40 2HB ASP 40 -8.579 -8.065 8.051 329 2HB ASP 40 1HB ASP 40 -10.169 -7.583 7.470 330 H GLY 41 H GLY 41 -8.009 -7.314 3.535 331 1HA GLY 41 2HA GLY 41 -9.202 -8.114 1.644 332 2HA GLY 41 1HA GLY 41 -10.674 -8.092 2.598 333 H VAL 42 H VAL 42 -10.676 -5.498 3.575 334 HA VAL 42 HA VAL 42 -11.157 -4.061 1.058 335 HB VAL 42 HB VAL 42 -12.372 -3.593 3.784 336 1HG1 VAL 42 1HG1 VAL 42 -13.852 -2.013 2.634 337 2HG1 VAL 42 2HG1 VAL 42 -12.966 -2.277 1.132 338 3HG1 VAL 42 3HG1 VAL 42 -12.163 -1.518 2.506 339 1HG2 VAL 42 1HG2 VAL 42 -13.215 -5.619 2.782 340 2HG2 VAL 42 2HG2 VAL 42 -13.513 -4.781 1.260 341 3HG2 VAL 42 3HG2 VAL 42 -14.453 -4.369 2.694 342 HA PRO 43 HA PRO 43 -7.783 -1.397 2.402 343 1HB PRO 43 2HB PRO 43 -7.719 0.083 0.131 344 2HB PRO 43 1HB PRO 43 -6.976 -1.516 0.251 345 1HG PRO 43 2HG PRO 43 -9.596 -0.724 -0.946 346 2HG PRO 43 1HG PRO 43 -8.395 -1.884 -1.543 347 1HD PRO 43 2HD PRO 43 -10.668 -2.627 -0.234 348 2HD PRO 43 1HD PRO 43 -9.165 -3.568 -0.180 349 H ILE 44 H ILE 44 -8.259 0.161 3.820 350 HA ILE 44 HA ILE 44 -10.680 1.699 3.556 351 HB ILE 44 HB ILE 44 -8.484 1.997 5.615 352 1HG1 ILE 44 2HG1 ILE 44 -9.412 -0.258 5.684 353 2HG1 ILE 44 1HG1 ILE 44 -9.961 0.660 7.081 354 1HG2 ILE 44 1HG2 ILE 44 -11.336 2.972 5.558 355 2HG2 ILE 44 2HG2 ILE 44 -9.878 3.962 5.481 356 3HG2 ILE 44 3HG2 ILE 44 -10.263 3.073 6.956 357 1HD1 ILE 44 1HD1 ILE 44 -11.759 -0.669 6.175 358 2HD1 ILE 44 2HD1 ILE 44 -11.554 0.086 4.596 359 3HD1 ILE 44 3HD1 ILE 44 -12.107 1.047 5.967 360 H MET 45 H MET 45 -10.572 3.082 1.898 361 HA MET 45 HA MET 45 -8.234 4.807 1.606 362 1HB MET 45 2HB MET 45 -10.654 4.546 -0.198 363 2HB MET 45 1HB MET 45 -9.166 5.415 -0.560 364 1HG MET 45 2HG MET 45 -7.932 3.276 -0.385 365 2HG MET 45 1HG MET 45 -9.473 2.449 -0.179 366 1HE MET 45 1HE MET 45 -7.068 4.298 -2.603 367 2HE MET 45 2HE MET 45 -8.407 5.445 -2.534 368 3HE MET 45 3HE MET 45 -8.076 4.562 -4.023 369 H LEU 46 H LEU 46 -10.240 5.032 3.765 370 HA LEU 46 HA LEU 46 -11.615 7.532 3.245 371 1HB LEU 46 2HB LEU 46 -11.352 5.907 5.779 372 2HB LEU 46 1HB LEU 46 -12.388 7.307 5.581 373 HG LEU 46 HG LEU 46 -12.678 4.720 4.050 374 1HD1 LEU 46 1HD1 LEU 46 -13.169 4.422 6.419 375 2HD1 LEU 46 2HD1 LEU 46 -14.637 4.332 5.446 376 3HD1 LEU 46 3HD1 LEU 46 -14.277 5.793 6.368 377 1HD2 LEU 46 1HD2 LEU 46 -13.494 6.663 2.826 378 2HD2 LEU 46 2HD2 LEU 46 -14.458 7.147 4.221 379 3HD2 LEU 46 3HD2 LEU 46 -14.833 5.651 3.365 380 H GLU 47 H GLU 47 -10.971 9.508 3.952 381 HA GLU 47 HA GLU 47 -8.235 9.958 4.389 382 1HB GLU 47 2HB GLU 47 -10.569 11.810 4.884 383 2HB GLU 47 1HB GLU 47 -8.881 12.297 4.777 384 1HG GLU 47 2HG GLU 47 -8.799 11.550 2.463 385 2HG GLU 47 1HG GLU 47 -10.481 11.029 2.567 386 H ALA 48 H ALA 48 -10.931 9.607 6.582 387 HA ALA 48 HA ALA 48 -9.741 10.612 8.918 388 1HB ALA 48 1HB ALA 48 -11.438 9.361 10.123 389 2HB ALA 48 2HB ALA 48 -11.785 8.408 8.679 390 3HB ALA 48 3HB ALA 48 -12.136 10.134 8.700 391 H GLU 49 H GLU 49 -9.203 7.702 7.168 392 HA GLU 49 HA GLU 49 -7.613 6.609 9.399 393 1HB GLU 49 2HB GLU 49 -9.001 5.129 7.158 394 2HB GLU 49 1HB GLU 49 -7.982 4.384 8.380 395 1HG GLU 49 2HG GLU 49 -10.522 5.887 8.956 396 2HG GLU 49 1HG GLU 49 -10.403 4.135 8.804 397 H ALA 50 H ALA 50 -7.198 8.343 6.762 398 HA ALA 50 HA ALA 50 -5.283 6.700 5.341 399 1HB ALA 50 1HB ALA 50 -5.138 8.555 3.779 400 2HB ALA 50 2HB ALA 50 -6.115 9.557 4.852 401 3HB ALA 50 3HB ALA 50 -6.821 8.130 4.089 402 H ARG 51 H ARG 51 -3.128 6.926 5.322 403 HA ARG 51 HA ARG 51 -1.962 8.878 7.197 404 1HB ARG 51 2HB ARG 51 -1.343 6.693 7.880 405 2HB ARG 51 1HB ARG 51 -1.035 6.175 6.229 406 1HG ARG 51 2HG ARG 51 0.866 7.836 6.191 407 2HG ARG 51 1HG ARG 51 0.627 8.008 7.930 408 1HD ARG 51 2HD ARG 51 1.238 5.791 8.348 409 2HD ARG 51 1HD ARG 51 1.021 5.318 6.662 410 HE ARG 51 HE ARG 51 3.094 7.285 7.184 411 1HH1 ARG 51 1HH1 ARG 51 2.295 3.893 6.727 412 2HH1 ARG 51 2HH1 ARG 51 3.904 3.460 6.222 413 1HH2 ARG 51 1HH2 ARG 51 5.210 6.704 6.513 414 2HH2 ARG 51 2HH2 ARG 51 5.550 5.055 6.106 415 H SER 52 H SER 52 -0.885 10.541 6.324 416 HA SER 52 HA SER 52 -0.188 10.483 3.515 417 1HB SER 52 2HB SER 52 -1.066 12.550 4.256 418 2HB SER 52 1HB SER 52 0.019 12.608 5.636 419 HG SER 52 HG SER 52 0.469 13.905 3.585 420 H LEU 53 H LEU 53 1.935 10.974 2.763 421 HA LEU 53 HA LEU 53 3.979 9.625 4.337 422 1HB LEU 53 2HB LEU 53 4.078 10.789 1.551 423 2HB LEU 53 1HB LEU 53 5.395 9.922 2.319 424 HG LEU 53 HG LEU 53 2.702 8.790 1.565 425 1HD1 LEU 53 1HD1 LEU 53 5.475 8.233 0.530 426 2HD1 LEU 53 2HD1 LEU 53 4.208 9.122 -0.316 427 3HD1 LEU 53 3HD1 LEU 53 4.000 7.405 0.031 428 1HD2 LEU 53 1HD2 LEU 53 3.580 6.642 2.343 429 2HD2 LEU 53 2HD2 LEU 53 3.474 7.811 3.661 430 3HD2 LEU 53 3HD2 LEU 53 5.038 7.449 2.928 431 H ASP 54 H ASP 54 2.757 12.647 4.156 432 HA ASP 54 HA ASP 54 5.163 14.190 4.420 433 1HB ASP 54 2HB ASP 54 3.103 15.221 3.602 434 2HB ASP 54 1HB ASP 54 2.291 14.846 5.120 435 H ALA 55 H ALA 55 2.661 13.047 6.661 436 HA ALA 55 HA ALA 55 4.224 13.839 8.964 437 1HB ALA 55 1HB ALA 55 1.626 12.314 8.806 438 2HB ALA 55 2HB ALA 55 1.794 14.054 9.041 439 3HB ALA 55 3HB ALA 55 2.367 12.937 10.280 440 H GLU 56 H GLU 56 6.079 12.561 8.505 441 HA GLU 56 HA GLU 56 5.810 9.775 9.342 442 1HB GLU 56 2HB GLU 56 5.730 9.739 6.901 443 2HB GLU 56 1HB GLU 56 7.198 10.698 6.819 444 1HG GLU 56 2HG GLU 56 8.417 8.851 7.914 445 2HG GLU 56 1HG GLU 56 6.937 7.891 7.857 446 H ALA 57 H ALA 57 7.564 8.989 10.430 447 HA ALA 57 HA ALA 57 9.755 10.879 10.934 448 1HB ALA 57 1HB ALA 57 8.898 8.471 12.546 449 2HB ALA 57 2HB ALA 57 8.538 10.155 12.932 450 3HB ALA 57 3HB ALA 57 10.205 9.582 12.956 451 HA PRO 58 HA PRO 58 12.236 8.355 8.188 452 1HB PRO 58 2HB PRO 58 14.384 9.695 9.756 453 2HB PRO 58 1HB PRO 58 14.194 9.542 8.005 454 1HG PRO 58 2HG PRO 58 13.659 11.847 9.224 455 2HG PRO 58 1HG PRO 58 12.647 11.267 7.888 456 1HD PRO 58 2HD PRO 58 12.097 11.268 10.821 457 2HD PRO 58 1HD PRO 58 10.984 11.522 9.460 458 H ALA 59 H ALA 59 13.347 6.458 8.372 459 HA ALA 59 HA ALA 59 13.380 5.269 11.028 460 1HB ALA 59 1HB ALA 59 13.654 3.146 9.862 461 2HB ALA 59 2HB ALA 59 13.834 4.001 8.329 462 3HB ALA 59 3HB ALA 59 12.294 4.050 9.189 463 H GLN 60 H GLN 60 15.152 4.691 12.104 464 HA GLN 60 HA GLN 60 17.719 5.621 11.208 465 1HB GLN 60 2HB GLN 60 18.519 4.817 13.377 466 2HB GLN 60 1HB GLN 60 17.061 5.780 13.571 467 1HG GLN 60 2HG GLN 60 15.741 3.729 13.775 468 2HG GLN 60 1HG GLN 60 17.221 2.778 13.607 469 1HE2 GLN 60 1HE2 GLN 60 15.362 4.841 15.680 470 2HE2 GLN 60 2HE2 GLN 60 16.258 4.541 17.125 471 HA PRO 61 HA PRO 61 19.472 2.016 9.330 472 1HB PRO 61 2HB PRO 61 21.671 2.112 11.334 473 2HB PRO 61 1HB PRO 61 21.755 2.105 9.569 474 1HG PRO 61 2HG PRO 61 22.203 4.343 10.940 475 2HG PRO 61 1HG PRO 61 21.311 4.374 9.407 476 1HD PRO 61 2HD PRO 61 20.280 4.577 12.205 477 2HD PRO 61 1HD PRO 61 19.737 5.416 10.737 478 H SER 62 H SER 62 18.020 0.422 9.890 479 HA SER 62 HA SER 62 18.670 -1.149 12.295 480 1HB SER 62 2HB SER 62 15.902 -0.807 11.113 481 2HB SER 62 1HB SER 62 16.323 -1.576 12.644 482 HG SER 62 HG SER 62 16.827 1.156 12.051 483 H LEU 63 H LEU 63 19.357 -1.310 9.329 484 HA LEU 63 HA LEU 63 18.044 -3.788 8.543 485 1HB LEU 63 2HB LEU 63 20.051 -2.074 7.075 486 2HB LEU 63 1HB LEU 63 19.237 -3.476 6.409 487 HG LEU 63 HG LEU 63 17.879 -0.921 7.281 488 1HD1 LEU 63 1HD1 LEU 63 19.229 -0.614 5.275 489 2HD1 LEU 63 2HD1 LEU 63 17.507 -0.561 4.895 490 3HD1 LEU 63 3HD1 LEU 63 18.446 -2.007 4.527 491 1HD2 LEU 63 1HD2 LEU 63 15.895 -1.884 6.213 492 2HD2 LEU 63 2HD2 LEU 63 16.448 -2.874 7.564 493 3HD2 LEU 63 3HD2 LEU 63 16.787 -3.376 5.908 494 H GLU 64 H GLU 64 18.864 -5.585 9.388 495 HA GLU 64 HA GLU 64 21.703 -5.787 9.958 496 1HB GLU 64 2HB GLU 64 21.060 -8.031 10.887 497 2HB GLU 64 1HB GLU 64 20.281 -6.663 11.659 498 1HG GLU 64 2HG GLU 64 18.495 -8.033 11.475 499 2HG GLU 64 1HG GLU 64 18.372 -7.224 9.917 500 H HIS 65 H HIS 65 22.303 -8.400 9.453 501 HA HIS 65 HA HIS 65 22.677 -8.353 6.603 502 1HB HIS 65 2HB HIS 65 23.472 -10.346 8.727 503 2HB HIS 65 1HB HIS 65 23.781 -10.618 7.016 504 HD1 HIS 65 1HD HIS 65 25.443 -8.869 5.851 505 HD2 HIS 65 2HD HIS 65 25.294 -8.757 10.009 506 HE1 HIS 65 1HE HIS 65 27.504 -7.624 6.572 507 HE2 HIS 65 2HE HIS 65 27.461 -7.673 9.089 508 H HIS 66 H HIS 66 20.645 -8.469 5.751 509 HA HIS 66 HA HIS 66 18.830 -10.543 6.621 510 1HB HIS 66 2HB HIS 66 17.184 -9.432 5.163 511 2HB HIS 66 1HB HIS 66 17.932 -8.305 6.287 512 HD1 HIS 66 1HD HIS 66 17.059 -8.656 2.827 513 HD2 HIS 66 2HD HIS 66 20.119 -6.778 4.925 514 HE1 HIS 66 1HE HIS 66 18.078 -7.014 1.217 515 HE2 HIS 66 2HE HIS 66 20.084 -6.091 2.437 516 H HIS 67 H HIS 67 18.976 -12.499 5.809 517 HA HIS 67 HA HIS 67 19.198 -12.712 2.876 518 1HB HIS 67 2HB HIS 67 20.042 -14.943 3.074 519 2HB HIS 67 1HB HIS 67 20.985 -13.949 4.173 520 HD1 HIS 67 1HD HIS 67 18.756 -16.907 4.058 521 HD2 HIS 67 2HD HIS 67 20.435 -14.417 6.943 522 HE1 HIS 67 1HE HIS 67 18.531 -18.140 6.238 523 HE2 HIS 67 2HE HIS 67 19.712 -16.696 7.933 524 H HIS 68 H HIS 68 17.407 -13.345 5.736 525 HA HIS 68 HA HIS 68 15.343 -14.124 6.199 526 1HB HIS 68 2HB HIS 68 14.890 -12.087 4.771 527 2HB HIS 68 1HB HIS 68 14.602 -13.192 3.430 528 HD1 HIS 68 1HD HIS 68 12.175 -13.581 3.100 529 HD2 HIS 68 2HD HIS 68 13.124 -13.015 7.113 530 HE1 HIS 68 1HE HIS 68 10.002 -13.786 4.351 531 HE2 HIS 68 2HE HIS 68 10.631 -13.615 6.789 532 H HIS 69 H HIS 69 14.865 -14.733 2.787 533 HA HIS 69 HA HIS 69 15.241 -17.563 2.972 534 1HB HIS 69 2HB HIS 69 13.053 -17.274 4.134 535 2HB HIS 69 1HB HIS 69 12.417 -16.491 2.693 536 HD1 HIS 69 1HD HIS 69 11.825 -18.011 0.668 537 HD2 HIS 69 2HD HIS 69 13.290 -20.059 3.988 538 HE1 HIS 69 1HE HIS 69 11.322 -20.440 0.250 539 HE2 HIS 69 2HE HIS 69 12.183 -21.661 2.283 540 H HIS 70 H HIS 70 15.726 -18.280 0.968 541 HA HIS 70 HA HIS 70 14.728 -16.744 -1.336 542 1HB HIS 70 2HB HIS 70 17.523 -17.828 -0.931 543 2HB HIS 70 1HB HIS 70 16.909 -17.268 -2.482 544 HD1 HIS 70 1HD HIS 70 18.875 -16.134 0.223 545 HD2 HIS 70 2HD HIS 70 15.918 -14.408 -2.141 546 HE1 HIS 70 1HE HIS 70 19.171 -13.647 0.472 547 HE2 HIS 70 2HE HIS 70 17.508 -12.635 -1.130 Start of MODEL 5 1 1H MET 1 1H MET 1 -10.164 -17.518 1.476 2 2H MET 1 2H MET 1 -9.207 -18.823 1.992 3 3H MET 1 3H MET 1 -9.239 -18.392 0.350 4 HA MET 1 HA MET 1 -8.266 -16.611 2.497 5 1HB MET 1 2HB MET 1 -5.999 -17.172 1.735 6 2HB MET 1 1HB MET 1 -6.832 -18.585 2.368 7 1HG MET 1 2HG MET 1 -7.301 -19.332 0.094 8 2HG MET 1 1HG MET 1 -6.482 -17.908 -0.546 9 1HE MET 1 1HE MET 1 -3.886 -17.457 -0.297 10 2HE MET 1 2HE MET 1 -2.771 -18.541 0.533 11 3HE MET 1 3HE MET 1 -3.976 -17.644 1.456 12 H GLU 2 H GLU 2 -9.898 -16.599 -0.214 13 HA GLU 2 HA GLU 2 -8.313 -14.464 -1.470 14 1HB GLU 2 2HB GLU 2 -10.217 -16.147 -3.063 15 2HB GLU 2 1HB GLU 2 -8.834 -15.218 -3.615 16 1HG GLU 2 2HG GLU 2 -7.955 -17.279 -3.834 17 2HG GLU 2 1HG GLU 2 -7.543 -17.014 -2.140 18 H SER 3 H SER 3 -9.359 -12.620 -0.910 19 HA SER 3 HA SER 3 -12.181 -12.390 -0.651 20 1HB SER 3 2HB SER 3 -10.277 -10.125 -1.293 21 2HB SER 3 1HB SER 3 -11.807 -10.043 -0.422 22 HG SER 3 HG SER 3 -10.880 -11.040 1.319 23 H ARG 4 H ARG 4 -10.190 -10.630 -2.993 24 HA ARG 4 HA ARG 4 -11.520 -11.886 -5.236 25 1HB ARG 4 2HB ARG 4 -11.633 -8.892 -4.772 26 2HB ARG 4 1HB ARG 4 -11.922 -9.641 -6.337 27 1HG ARG 4 2HG ARG 4 -13.756 -10.970 -5.185 28 2HG ARG 4 1HG ARG 4 -13.559 -9.855 -3.833 29 1HD ARG 4 2HD ARG 4 -14.286 -9.133 -6.666 30 2HD ARG 4 1HD ARG 4 -15.368 -9.134 -5.277 31 HE ARG 4 HE ARG 4 -13.218 -7.209 -5.824 32 1HH1 ARG 4 1HH1 ARG 4 -15.817 -8.297 -3.745 33 2HH1 ARG 4 2HH1 ARG 4 -16.106 -6.723 -3.055 34 1HH2 ARG 4 1HH2 ARG 4 -13.560 -5.139 -4.907 35 2HH2 ARG 4 2HH2 ARG 4 -14.775 -4.935 -3.681 36 H LEU 5 H LEU 5 -10.243 -11.711 -7.155 37 HA LEU 5 HA LEU 5 -7.445 -11.322 -6.474 38 1HB LEU 5 2HB LEU 5 -8.739 -12.420 -8.968 39 2HB LEU 5 1HB LEU 5 -7.013 -12.394 -8.657 40 HG LEU 5 HG LEU 5 -9.058 -13.917 -7.039 41 1HD1 LEU 5 1HD1 LEU 5 -8.023 -15.904 -8.009 42 2HD1 LEU 5 2HD1 LEU 5 -6.996 -14.878 -9.012 43 3HD1 LEU 5 3HD1 LEU 5 -8.744 -14.875 -9.246 44 1HD2 LEU 5 1HD2 LEU 5 -7.107 -14.936 -5.958 45 2HD2 LEU 5 2HD2 LEU 5 -7.185 -13.198 -5.668 46 3HD2 LEU 5 3HD2 LEU 5 -6.049 -13.846 -6.852 47 H LEU 6 H LEU 6 -6.523 -9.455 -6.750 48 HA LEU 6 HA LEU 6 -7.489 -7.653 -8.858 49 1HB LEU 6 2HB LEU 6 -7.725 -6.845 -6.528 50 2HB LEU 6 1HB LEU 6 -5.998 -7.013 -6.307 51 HG LEU 6 HG LEU 6 -6.889 -5.253 -8.522 52 1HD1 LEU 6 1HD1 LEU 6 -7.234 -3.386 -6.967 53 2HD1 LEU 6 2HD1 LEU 6 -7.118 -4.506 -5.609 54 3HD1 LEU 6 3HD1 LEU 6 -8.448 -4.648 -6.759 55 1HD2 LEU 6 1HD2 LEU 6 -4.514 -5.625 -8.019 56 2HD2 LEU 6 2HD2 LEU 6 -4.771 -5.012 -6.384 57 3HD2 LEU 6 3HD2 LEU 6 -4.980 -3.942 -7.771 58 H ASP 7 H ASP 7 -6.009 -6.704 -10.254 59 HA ASP 7 HA ASP 7 -3.487 -8.160 -10.476 60 1HB ASP 7 2HB ASP 7 -4.998 -7.966 -12.453 61 2HB ASP 7 1HB ASP 7 -4.755 -6.224 -12.428 62 H ILE 8 H ILE 8 -4.277 -4.776 -11.284 63 HA ILE 8 HA ILE 8 -2.482 -3.823 -9.205 64 HB ILE 8 HB ILE 8 -1.489 -2.166 -10.920 65 1HG1 ILE 8 2HG1 ILE 8 -1.135 -3.544 -13.144 66 2HG1 ILE 8 1HG1 ILE 8 -2.674 -4.251 -12.691 67 1HG2 ILE 8 1HG2 ILE 8 -0.127 -3.744 -9.738 68 2HG2 ILE 8 2HG2 ILE 8 0.373 -3.696 -11.430 69 3HG2 ILE 8 3HG2 ILE 8 -0.606 -5.038 -10.837 70 1HD1 ILE 8 1HD1 ILE 8 -3.692 -2.032 -12.659 71 2HD1 ILE 8 2HD1 ILE 8 -2.975 -2.398 -14.230 72 3HD1 ILE 8 3HD1 ILE 8 -2.143 -1.319 -13.112 73 H LEU 9 H LEU 9 -2.620 -1.470 -8.925 74 HA LEU 9 HA LEU 9 -4.836 -0.124 -10.264 75 1HB LEU 9 2HB LEU 9 -4.550 -0.423 -7.279 76 2HB LEU 9 1HB LEU 9 -5.439 0.907 -7.990 77 HG LEU 9 HG LEU 9 -6.105 -2.025 -8.286 78 1HD1 LEU 9 1HD1 LEU 9 -7.492 0.200 -6.797 79 2HD1 LEU 9 2HD1 LEU 9 -6.605 -1.140 -6.073 80 3HD1 LEU 9 3HD1 LEU 9 -8.087 -1.451 -6.975 81 1HD2 LEU 9 1HD2 LEU 9 -6.658 -0.741 -10.304 82 2HD2 LEU 9 2HD2 LEU 9 -7.571 0.400 -9.315 83 3HD2 LEU 9 3HD2 LEU 9 -8.103 -1.275 -9.445 84 H VAL 10 H VAL 10 -4.650 2.190 -10.201 85 HA VAL 10 HA VAL 10 -1.870 3.021 -9.703 86 HB VAL 10 HB VAL 10 -2.184 4.754 -11.408 87 1HG1 VAL 10 1HG1 VAL 10 -2.886 1.986 -12.371 88 2HG1 VAL 10 2HG1 VAL 10 -1.262 2.599 -12.059 89 3HG1 VAL 10 3HG1 VAL 10 -2.229 3.286 -13.365 90 1HG2 VAL 10 1HG2 VAL 10 -4.615 5.058 -11.171 91 2HG2 VAL 10 2HG2 VAL 10 -4.875 3.477 -11.911 92 3HG2 VAL 10 3HG2 VAL 10 -4.144 4.779 -12.848 93 H CYS 11 H CYS 11 -1.457 5.021 -8.769 94 HA CYS 11 HA CYS 11 -3.174 5.896 -6.750 95 1HB CYS 11 2HB CYS 11 -1.046 7.589 -8.070 96 2HB CYS 11 1HB CYS 11 -1.602 7.658 -6.406 97 HG CYS 11 HG CYS 11 -0.603 4.689 -6.536 98 HA PRO 12 HA PRO 12 -6.240 8.298 -8.844 99 1HB PRO 12 2HB PRO 12 -6.552 10.294 -6.931 100 2HB PRO 12 1HB PRO 12 -7.381 8.736 -6.927 101 1HG PRO 12 2HG PRO 12 -4.950 9.595 -5.427 102 2HG PRO 12 1HG PRO 12 -6.286 8.555 -4.900 103 1HD PRO 12 2HD PRO 12 -3.917 7.530 -5.600 104 2HD PRO 12 1HD PRO 12 -5.434 6.695 -5.992 105 H VAL 13 H VAL 13 -3.669 10.189 -7.255 106 HA VAL 13 HA VAL 13 -3.957 12.302 -9.228 107 HB VAL 13 HB VAL 13 -2.082 12.119 -6.862 108 1HG1 VAL 13 1HG1 VAL 13 -1.736 14.507 -7.206 109 2HG1 VAL 13 2HG1 VAL 13 -2.783 14.460 -8.625 110 3HG1 VAL 13 3HG1 VAL 13 -1.251 13.586 -8.631 111 1HG2 VAL 13 1HG2 VAL 13 -3.613 13.630 -5.750 112 2HG2 VAL 13 2HG2 VAL 13 -4.469 12.169 -6.247 113 3HG2 VAL 13 3HG2 VAL 13 -4.655 13.660 -7.171 114 H CYS 14 H CYS 14 -1.136 10.556 -7.912 115 HA CYS 14 HA CYS 14 0.577 11.379 -9.994 116 1HB CYS 14 2HB CYS 14 0.954 9.056 -8.102 117 2HB CYS 14 1HB CYS 14 2.217 9.919 -8.974 118 HG CYS 14 HG CYS 14 1.068 10.501 -5.995 119 H LYS 15 H LYS 15 -1.677 8.805 -9.848 120 HA LYS 15 HA LYS 15 -2.135 6.990 -11.129 121 1HB LYS 15 2HB LYS 15 -0.523 8.514 -13.184 122 2HB LYS 15 1HB LYS 15 -1.606 7.174 -13.527 123 1HG LYS 15 2HG LYS 15 -2.461 9.792 -12.312 124 2HG LYS 15 1HG LYS 15 -2.578 9.389 -14.020 125 1HD LYS 15 2HD LYS 15 -3.968 7.398 -13.329 126 2HD LYS 15 1HD LYS 15 -4.018 8.104 -11.712 127 1HE LYS 15 2HE LYS 15 -5.035 9.350 -14.264 128 2HE LYS 15 1HE LYS 15 -6.012 8.707 -12.947 129 1HZ LYS 15 1HZ LYS 15 -5.942 11.056 -12.734 130 2HZ LYS 15 2HZ LYS 15 -4.253 11.099 -12.876 131 3HZ LYS 15 3HZ LYS 15 -4.971 10.421 -11.498 132 H GLY 16 H GLY 16 0.222 6.891 -9.456 133 1HA GLY 16 2HA GLY 16 2.142 5.317 -10.995 134 2HA GLY 16 1HA GLY 16 2.340 5.853 -9.333 135 H ARG 17 H ARG 17 3.072 3.428 -9.489 136 HA ARG 17 HA ARG 17 0.896 1.522 -9.454 137 1HB ARG 17 2HB ARG 17 3.187 1.077 -10.454 138 2HB ARG 17 1HB ARG 17 3.799 1.001 -8.808 139 1HG ARG 17 2HG ARG 17 2.099 -0.820 -8.393 140 2HG ARG 17 1HG ARG 17 1.829 -0.836 -10.138 141 1HD ARG 17 2HD ARG 17 3.414 -2.524 -9.762 142 2HD ARG 17 1HD ARG 17 4.350 -1.153 -10.358 143 HE ARG 17 HE ARG 17 4.196 -2.008 -7.530 144 1HH1 ARG 17 1HH1 ARG 17 5.868 -0.403 -10.165 145 2HH1 ARG 17 2HH1 ARG 17 7.304 -0.084 -9.233 146 1HH2 ARG 17 1HH2 ARG 17 6.078 -1.581 -6.304 147 2HH2 ARG 17 2HH2 ARG 17 7.415 -0.739 -7.028 148 H LEU 18 H LEU 18 -0.132 0.822 -7.697 149 HA LEU 18 HA LEU 18 0.720 1.719 -5.069 150 1HB LEU 18 2HB LEU 18 -1.703 0.158 -5.980 151 2HB LEU 18 1HB LEU 18 -1.425 0.689 -4.331 152 HG LEU 18 HG LEU 18 -1.721 2.542 -6.700 153 1HD1 LEU 18 1HD1 LEU 18 -3.810 1.373 -6.230 154 2HD1 LEU 18 2HD1 LEU 18 -3.915 3.074 -5.775 155 3HD1 LEU 18 3HD1 LEU 18 -3.697 1.841 -4.533 156 1HD2 LEU 18 1HD2 LEU 18 -1.616 3.077 -3.733 157 2HD2 LEU 18 2HD2 LEU 18 -1.920 4.278 -4.988 158 3HD2 LEU 18 3HD2 LEU 18 -0.357 3.466 -4.906 159 H GLU 19 H GLU 19 0.835 0.198 -3.249 160 HA GLU 19 HA GLU 19 1.834 -2.448 -4.095 161 1HB GLU 19 2HB GLU 19 3.174 -0.398 -2.640 162 2HB GLU 19 1HB GLU 19 2.893 -1.742 -1.540 163 1HG GLU 19 2HG GLU 19 4.261 -1.911 -4.217 164 2HG GLU 19 1HG GLU 19 5.058 -1.906 -2.645 165 H PHE 20 H PHE 20 1.250 -4.220 -2.878 166 HA PHE 20 HA PHE 20 -1.124 -3.737 -1.222 167 1HB PHE 20 2HB PHE 20 -1.454 -5.148 -3.202 168 2HB PHE 20 1HB PHE 20 -0.215 -6.259 -2.627 169 HD1 PHE 20 1HD PHE 20 -3.544 -4.853 -1.792 170 HD2 PHE 20 2HD PHE 20 -0.762 -8.017 -1.189 171 HE1 PHE 20 1HE PHE 20 -5.263 -6.126 -0.575 172 HE2 PHE 20 2HE PHE 20 -2.473 -9.295 0.033 173 HZ PHE 20 HZ PHE 20 -4.727 -8.348 0.341 174 H GLN 21 H GLN 21 -0.954 -3.913 0.891 175 HA GLN 21 HA GLN 21 1.247 -5.273 2.163 176 1HB GLN 21 2HB GLN 21 -1.223 -3.893 3.208 177 2HB GLN 21 1HB GLN 21 -0.069 -4.692 4.264 178 1HG GLN 21 2HG GLN 21 0.670 -2.487 2.362 179 2HG GLN 21 1HG GLN 21 0.208 -2.220 4.042 180 1HE2 GLN 21 1HE2 GLN 21 2.190 -1.356 4.580 181 2HE2 GLN 21 2HE2 GLN 21 3.616 -2.333 4.719 182 H ARG 22 H ARG 22 1.297 -7.372 2.656 183 HA ARG 22 HA ARG 22 -0.959 -9.055 2.040 184 1HB ARG 22 2HB ARG 22 1.758 -9.775 3.156 185 2HB ARG 22 1HB ARG 22 0.585 -10.908 2.499 186 1HG ARG 22 2HG ARG 22 0.799 -9.882 0.307 187 2HG ARG 22 1HG ARG 22 1.947 -8.708 0.959 188 1HD ARG 22 2HD ARG 22 3.375 -10.667 1.647 189 2HD ARG 22 1HD ARG 22 2.286 -11.690 0.710 190 HE ARG 22 HE ARG 22 2.924 -10.040 -1.188 191 1HH1 ARG 22 1HH1 ARG 22 5.019 -11.268 1.331 192 2HH1 ARG 22 2HH1 ARG 22 6.470 -11.062 0.397 193 1HH2 ARG 22 1HH2 ARG 22 4.841 -9.785 -2.427 194 2HH2 ARG 22 2HH2 ARG 22 6.372 -10.242 -1.736 195 H ALA 23 H ALA 23 -1.378 -7.331 4.305 196 HA ALA 23 HA ALA 23 -2.324 -9.276 6.189 197 1HB ALA 23 1HB ALA 23 -1.136 -8.456 8.137 198 2HB ALA 23 2HB ALA 23 -0.257 -7.292 7.146 199 3HB ALA 23 3HB ALA 23 0.018 -9.021 6.929 200 H GLN 24 H GLN 24 -1.563 -5.863 5.679 201 HA GLN 24 HA GLN 24 -3.852 -4.926 7.129 202 1HB GLN 24 2HB GLN 24 -1.751 -3.613 5.432 203 2HB GLN 24 1HB GLN 24 -3.151 -2.713 5.996 204 1HG GLN 24 2HG GLN 24 -1.204 -4.147 7.786 205 2HG GLN 24 1HG GLN 24 -1.154 -2.424 7.413 206 1HE2 GLN 24 1HE2 GLN 24 -2.905 -1.108 8.089 207 2HE2 GLN 24 2HE2 GLN 24 -3.863 -1.564 9.458 208 H ALA 25 H ALA 25 -3.172 -5.813 3.860 209 HA ALA 25 HA ALA 25 -4.381 -5.848 1.947 210 1HB ALA 25 1HB ALA 25 -6.751 -5.351 3.750 211 2HB ALA 25 2HB ALA 25 -6.087 -6.932 3.336 212 3HB ALA 25 3HB ALA 25 -6.808 -5.922 2.083 213 H GLU 26 H GLU 26 -3.304 -3.328 3.094 214 HA GLU 26 HA GLU 26 -5.044 -1.383 1.763 215 1HB GLU 26 2HB GLU 26 -3.691 0.338 2.939 216 2HB GLU 26 1HB GLU 26 -4.508 -0.764 4.038 217 1HG GLU 26 2HG GLU 26 -2.397 -2.022 4.282 218 2HG GLU 26 1HG GLU 26 -1.599 -0.819 3.271 219 H LEU 27 H LEU 27 -4.195 0.048 0.228 220 HA LEU 27 HA LEU 27 -1.861 -1.020 -1.197 221 1HB LEU 27 2HB LEU 27 -3.959 0.936 -2.129 222 2HB LEU 27 1HB LEU 27 -2.691 0.244 -3.118 223 HG LEU 27 HG LEU 27 -4.909 -1.343 -1.822 224 1HD1 LEU 27 1HD1 LEU 27 -5.781 0.128 -3.555 225 2HD1 LEU 27 2HD1 LEU 27 -5.823 -1.558 -4.069 226 3HD1 LEU 27 3HD1 LEU 27 -4.573 -0.480 -4.689 227 1HD2 LEU 27 1HD2 LEU 27 -2.787 -2.118 -3.816 228 2HD2 LEU 27 2HD2 LEU 27 -4.137 -3.138 -3.319 229 3HD2 LEU 27 3HD2 LEU 27 -2.911 -2.663 -2.143 230 H VAL 28 H VAL 28 -0.026 -0.081 -0.694 231 HA VAL 28 HA VAL 28 0.072 2.501 0.571 232 HB VAL 28 HB VAL 28 2.343 0.718 -0.317 233 1HG1 VAL 28 1HG1 VAL 28 3.664 1.936 1.342 234 2HG1 VAL 28 2HG1 VAL 28 2.284 2.988 1.665 235 3HG1 VAL 28 3HG1 VAL 28 3.055 3.006 0.079 236 1HG2 VAL 28 1HG2 VAL 28 0.886 -0.463 1.205 237 2HG2 VAL 28 2HG2 VAL 28 0.927 0.891 2.335 238 3HG2 VAL 28 3HG2 VAL 28 2.392 -0.040 2.019 239 H CYS 29 H CYS 29 0.383 4.388 -0.347 240 HA CYS 29 HA CYS 29 1.164 4.575 -3.158 241 1HB CYS 29 2HB CYS 29 0.420 6.819 -1.268 242 2HB CYS 29 1HB CYS 29 0.456 6.871 -3.026 243 HG CYS 29 HG CYS 29 -2.172 6.904 -2.601 244 H ASN 30 H ASN 30 3.338 4.161 -3.175 245 HA ASN 30 HA ASN 30 5.145 4.887 -1.158 246 1HB ASN 30 2HB ASN 30 5.584 4.116 -4.047 247 2HB ASN 30 1HB ASN 30 6.905 4.372 -2.913 248 1HD2 ASN 30 1HD2 ASN 30 6.029 1.965 -4.358 249 2HD2 ASN 30 2HD2 ASN 30 5.753 0.771 -3.141 250 H ALA 31 H ALA 31 4.018 6.667 -3.928 251 HA ALA 31 HA ALA 31 6.179 8.612 -3.657 252 1HB ALA 31 1HB ALA 31 5.384 9.566 -5.730 253 2HB ALA 31 2HB ALA 31 3.966 8.517 -5.700 254 3HB ALA 31 3HB ALA 31 5.574 7.822 -5.903 255 H ASP 32 H ASP 32 3.077 8.154 -2.444 256 HA ASP 32 HA ASP 32 2.614 11.058 -2.212 257 1HB ASP 32 2HB ASP 32 0.665 8.758 -2.274 258 2HB ASP 32 1HB ASP 32 0.206 10.384 -1.784 259 H ARG 33 H ARG 33 3.527 8.357 -0.467 260 HA ARG 33 HA ARG 33 3.802 7.901 1.742 261 1HB ARG 33 2HB ARG 33 3.187 10.831 2.076 262 2HB ARG 33 1HB ARG 33 3.781 9.777 3.353 263 1HG ARG 33 2HG ARG 33 5.747 9.304 1.777 264 2HG ARG 33 1HG ARG 33 5.196 10.729 0.892 265 1HD ARG 33 2HD ARG 33 5.943 10.624 3.803 266 2HD ARG 33 1HD ARG 33 6.937 11.291 2.509 267 HE ARG 33 HE ARG 33 4.382 12.539 2.591 268 1HH1 ARG 33 1HH1 ARG 33 7.489 12.479 4.212 269 2HH1 ARG 33 2HH1 ARG 33 7.354 14.106 4.794 270 1HH2 ARG 33 1HH2 ARG 33 4.199 14.688 3.383 271 2HH2 ARG 33 2HH2 ARG 33 5.491 15.352 4.349 272 H LEU 34 H LEU 34 1.251 7.549 0.480 273 HA LEU 34 HA LEU 34 -0.509 7.712 2.833 274 1HB LEU 34 2HB LEU 34 -1.276 8.040 -0.073 275 2HB LEU 34 1HB LEU 34 -2.421 7.889 1.245 276 HG LEU 34 HG LEU 34 -0.435 10.140 0.927 277 1HD1 LEU 34 1HD1 LEU 34 -2.390 11.501 0.376 278 2HD1 LEU 34 2HD1 LEU 34 -3.413 10.067 0.451 279 3HD1 LEU 34 3HD1 LEU 34 -2.166 10.198 -0.790 280 1HD2 LEU 34 1HD2 LEU 34 -0.974 9.689 3.260 281 2HD2 LEU 34 2HD2 LEU 34 -2.697 9.748 2.887 282 3HD2 LEU 34 3HD2 LEU 34 -1.710 11.201 2.730 283 H ALA 35 H ALA 35 -2.475 6.135 2.350 284 HA ALA 35 HA ALA 35 -1.783 3.768 0.854 285 1HB ALA 35 1HB ALA 35 -1.894 2.237 2.748 286 2HB ALA 35 2HB ALA 35 -2.064 3.600 3.855 287 3HB ALA 35 3HB ALA 35 -0.567 3.382 2.948 288 H PHE 36 H PHE 36 -3.576 2.787 0.143 289 HA PHE 36 HA PHE 36 -6.155 3.821 1.101 290 1HB PHE 36 2HB PHE 36 -5.432 2.315 -1.425 291 2HB PHE 36 1HB PHE 36 -7.052 2.873 -1.016 292 HD1 PHE 36 2HD PHE 36 -6.696 5.538 -0.035 293 HD2 PHE 36 1HD PHE 36 -4.642 3.547 -3.182 294 HE1 PHE 36 2HE PHE 36 -6.197 7.710 -1.075 295 HE2 PHE 36 1HE PHE 36 -4.138 5.717 -4.229 296 HZ PHE 36 HZ PHE 36 -4.921 7.798 -3.179 297 HA PRO 37 HA PRO 37 -6.283 -0.218 3.078 298 1HB PRO 37 2HB PRO 37 -8.331 0.824 4.807 299 2HB PRO 37 1HB PRO 37 -6.645 0.479 5.194 300 1HG PRO 37 2HG PRO 37 -7.722 3.005 5.119 301 2HG PRO 37 1HG PRO 37 -6.002 2.647 4.881 302 1HD PRO 37 2HD PRO 37 -8.127 3.186 2.837 303 2HD PRO 37 1HD PRO 37 -6.438 3.742 2.881 304 H VAL 38 H VAL 38 -7.379 -1.827 2.151 305 HA VAL 38 HA VAL 38 -10.118 -1.470 1.265 306 HB VAL 38 HB VAL 38 -8.372 -3.949 1.259 307 1HG1 VAL 38 1HG1 VAL 38 -10.757 -4.500 1.263 308 2HG1 VAL 38 2HG1 VAL 38 -10.021 -4.873 -0.295 309 3HG1 VAL 38 3HG1 VAL 38 -11.010 -3.425 -0.113 310 1HG2 VAL 38 1HG2 VAL 38 -9.072 -2.040 -0.968 311 2HG2 VAL 38 2HG2 VAL 38 -8.131 -3.523 -1.139 312 3HG2 VAL 38 3HG2 VAL 38 -7.500 -2.181 -0.183 313 H ARG 39 H ARG 39 -11.817 -1.795 2.567 314 HA ARG 39 HA ARG 39 -11.370 -2.867 5.229 315 1HB ARG 39 2HB ARG 39 -12.733 -0.792 4.719 316 2HB ARG 39 1HB ARG 39 -13.958 -1.852 4.039 317 1HG ARG 39 2HG ARG 39 -14.220 -2.950 6.204 318 2HG ARG 39 1HG ARG 39 -12.985 -1.893 6.889 319 1HD ARG 39 2HD ARG 39 -14.366 0.052 6.432 320 2HD ARG 39 1HD ARG 39 -15.588 -0.970 5.678 321 HE ARG 39 HE ARG 39 -15.414 -2.040 8.138 322 1HH1 ARG 39 1HH1 ARG 39 -15.738 1.281 7.066 323 2HH1 ARG 39 2HH1 ARG 39 -16.646 1.785 8.458 324 1HH2 ARG 39 1HH2 ARG 39 -16.615 -1.395 9.970 325 2HH2 ARG 39 2HH2 ARG 39 -17.168 0.251 10.099 326 H ASP 40 H ASP 40 -10.946 -4.804 3.426 327 HA ASP 40 HA ASP 40 -11.463 -6.900 2.745 328 1HB ASP 40 2HB ASP 40 -11.719 -7.145 5.226 329 2HB ASP 40 1HB ASP 40 -13.450 -6.888 5.023 330 H GLY 41 H GLY 41 -12.337 -6.380 0.764 331 1HA GLY 41 2HA GLY 41 -14.139 -7.005 -0.694 332 2HA GLY 41 1HA GLY 41 -15.262 -6.634 0.608 333 H VAL 42 H VAL 42 -14.547 -4.159 1.406 334 HA VAL 42 HA VAL 42 -15.151 -2.551 -0.972 335 HB VAL 42 HB VAL 42 -15.380 -1.760 1.942 336 1HG1 VAL 42 1HG1 VAL 42 -15.093 0.140 0.448 337 2HG1 VAL 42 2HG1 VAL 42 -16.729 0.100 1.102 338 3HG1 VAL 42 3HG1 VAL 42 -16.429 -0.427 -0.554 339 1HG2 VAL 42 1HG2 VAL 42 -17.800 -2.032 1.635 340 2HG2 VAL 42 2HG2 VAL 42 -16.928 -3.554 1.460 341 3HG2 VAL 42 3HG2 VAL 42 -17.511 -2.700 0.030 342 HA PRO 43 HA PRO 43 -10.874 -1.159 -0.466 343 1HB PRO 43 2HB PRO 43 -11.053 -0.206 -3.177 344 2HB PRO 43 1HB PRO 43 -10.125 -1.570 -2.557 345 1HG PRO 43 2HG PRO 43 -12.279 -1.813 -4.236 346 2HG PRO 43 1HG PRO 43 -11.743 -3.083 -3.121 347 1HD PRO 43 2HD PRO 43 -13.975 -1.109 -2.826 348 2HD PRO 43 1HD PRO 43 -13.921 -2.828 -2.372 349 H ILE 44 H ILE 44 -10.512 0.749 0.508 350 HA ILE 44 HA ILE 44 -12.150 3.053 -0.243 351 HB ILE 44 HB ILE 44 -10.260 2.726 2.096 352 1HG1 ILE 44 2HG1 ILE 44 -12.198 1.256 2.300 353 2HG1 ILE 44 1HG1 ILE 44 -12.310 2.574 3.459 354 1HG2 ILE 44 1HG2 ILE 44 -11.308 4.775 2.956 355 2HG2 ILE 44 2HG2 ILE 44 -12.237 4.915 1.464 356 3HG2 ILE 44 3HG2 ILE 44 -10.479 5.048 1.423 357 1HD1 ILE 44 1HD1 ILE 44 -13.778 2.426 0.840 358 2HD1 ILE 44 2HD1 ILE 44 -13.914 3.715 2.035 359 3HD1 ILE 44 3HD1 ILE 44 -14.461 2.084 2.429 360 H MET 45 H MET 45 -11.297 3.982 -2.003 361 HA MET 45 HA MET 45 -8.410 4.513 -2.070 362 1HB MET 45 2HB MET 45 -10.498 4.848 -4.240 363 2HB MET 45 1HB MET 45 -8.773 5.130 -4.429 364 1HG MET 45 2HG MET 45 -8.358 2.758 -3.907 365 2HG MET 45 1HG MET 45 -10.099 2.499 -3.824 366 1HE MET 45 1HE MET 45 -7.034 3.325 -6.094 367 2HE MET 45 2HE MET 45 -8.028 4.763 -6.329 368 3HE MET 45 3HE MET 45 -7.794 3.628 -7.657 369 H LEU 46 H LEU 46 -10.942 5.891 -0.742 370 HA LEU 46 HA LEU 46 -10.752 8.592 -1.668 371 1HB LEU 46 2HB LEU 46 -11.903 7.476 0.894 372 2HB LEU 46 1HB LEU 46 -12.122 9.115 0.316 373 HG LEU 46 HG LEU 46 -13.142 6.631 -1.071 374 1HD1 LEU 46 1HD1 LEU 46 -15.352 7.452 -0.388 375 2HD1 LEU 46 2HD1 LEU 46 -14.578 8.748 0.524 376 3HD1 LEU 46 3HD1 LEU 46 -14.334 7.069 1.002 377 1HD2 LEU 46 1HD2 LEU 46 -13.555 9.557 -1.682 378 2HD2 LEU 46 2HD2 LEU 46 -14.351 8.213 -2.499 379 3HD2 LEU 46 3HD2 LEU 46 -12.605 8.421 -2.640 380 H GLU 47 H GLU 47 -9.079 9.875 -1.286 381 HA GLU 47 HA GLU 47 -6.973 9.194 0.461 382 1HB GLU 47 2HB GLU 47 -7.640 11.831 -0.855 383 2HB GLU 47 1HB GLU 47 -6.107 11.459 -0.076 384 1HG GLU 47 2HG GLU 47 -5.692 9.689 -1.685 385 2HG GLU 47 1HG GLU 47 -7.253 9.992 -2.443 386 H ALA 48 H ALA 48 -9.937 10.808 1.001 387 HA ALA 48 HA ALA 48 -9.215 12.294 3.317 388 1HB ALA 48 1HB ALA 48 -11.592 12.519 3.699 389 2HB ALA 48 2HB ALA 48 -11.931 11.229 2.547 390 3HB ALA 48 3HB ALA 48 -11.245 12.755 1.986 391 H GLU 49 H GLU 49 -10.128 8.976 2.739 392 HA GLU 49 HA GLU 49 -10.181 8.449 5.637 393 1HB GLU 49 2HB GLU 49 -11.107 6.625 3.408 394 2HB GLU 49 1HB GLU 49 -11.356 6.398 5.132 395 1HG GLU 49 2HG GLU 49 -12.573 8.549 3.417 396 2HG GLU 49 1HG GLU 49 -13.395 7.129 4.058 397 H ALA 50 H ALA 50 -7.958 8.650 3.423 398 HA ALA 50 HA ALA 50 -6.831 6.025 3.326 399 1HB ALA 50 1HB ALA 50 -6.551 7.621 1.489 400 2HB ALA 50 2HB ALA 50 -5.000 7.062 2.115 401 3HB ALA 50 3HB ALA 50 -5.599 8.665 2.545 402 H ARG 51 H ARG 51 -4.812 5.391 4.159 403 HA ARG 51 HA ARG 51 -4.292 6.463 6.817 404 1HB ARG 51 2HB ARG 51 -4.554 4.026 6.508 405 2HB ARG 51 1HB ARG 51 -3.191 4.027 5.397 406 1HG ARG 51 2HG ARG 51 -1.748 4.816 7.248 407 2HG ARG 51 1HG ARG 51 -3.125 4.651 8.340 408 1HD ARG 51 2HD ARG 51 -3.275 2.263 7.732 409 2HD ARG 51 1HD ARG 51 -1.844 2.454 6.722 410 HE ARG 51 HE ARG 51 -1.470 3.236 9.475 411 1HH1 ARG 51 1HH1 ARG 51 -1.325 0.613 7.155 412 2HH1 ARG 51 2HH1 ARG 51 -0.231 -0.337 8.127 413 1HH2 ARG 51 1HH2 ARG 51 -0.069 1.981 10.752 414 2HH2 ARG 51 2HH2 ARG 51 0.477 0.435 10.162 415 H SER 52 H SER 52 -2.815 8.031 7.004 416 HA SER 52 HA SER 52 -0.870 8.456 4.926 417 1HB SER 52 2HB SER 52 -1.728 10.434 5.775 418 2HB SER 52 1HB SER 52 -1.579 9.911 7.445 419 HG SER 52 HG SER 52 0.040 11.477 6.353 420 H LEU 53 H LEU 53 1.282 8.320 5.065 421 HA LEU 53 HA LEU 53 2.308 6.460 7.077 422 1HB LEU 53 2HB LEU 53 3.637 7.592 4.610 423 2HB LEU 53 1HB LEU 53 4.302 6.348 5.651 424 HG LEU 53 HG LEU 53 1.813 6.086 3.962 425 1HD1 LEU 53 1HD1 LEU 53 4.539 4.835 3.657 426 2HD1 LEU 53 2HD1 LEU 53 3.871 6.117 2.647 427 3HD1 LEU 53 3HD1 LEU 53 3.130 4.517 2.646 428 1HD2 LEU 53 1HD2 LEU 53 1.806 3.756 4.628 429 2HD2 LEU 53 2HD2 LEU 53 1.693 4.792 6.051 430 3HD2 LEU 53 3HD2 LEU 53 3.224 4.017 5.644 431 H ASP 54 H ASP 54 2.066 9.731 6.510 432 HA ASP 54 HA ASP 54 4.488 10.488 7.938 433 1HB ASP 54 2HB ASP 54 3.779 11.918 6.103 434 2HB ASP 54 1HB ASP 54 2.185 12.112 6.824 435 H ALA 55 H ALA 55 1.054 10.122 8.444 436 HA ALA 55 HA ALA 55 1.189 11.197 11.147 437 1HB ALA 55 1HB ALA 55 -1.224 10.782 11.207 438 2HB ALA 55 2HB ALA 55 -1.128 9.998 9.630 439 3HB ALA 55 3HB ALA 55 -0.765 11.718 9.785 440 H GLU 56 H GLU 56 1.921 8.334 9.703 441 HA GLU 56 HA GLU 56 1.063 6.673 11.954 442 1HB GLU 56 2HB GLU 56 0.611 5.867 9.655 443 2HB GLU 56 1HB GLU 56 2.336 5.880 9.326 444 1HG GLU 56 2HG GLU 56 1.499 3.636 9.796 445 2HG GLU 56 1HG GLU 56 2.702 4.155 10.974 446 H ALA 57 H ALA 57 2.672 5.165 12.875 447 HA ALA 57 HA ALA 57 5.119 6.537 13.496 448 1HB ALA 57 1HB ALA 57 5.568 4.626 14.958 449 2HB ALA 57 2HB ALA 57 4.183 3.774 14.272 450 3HB ALA 57 3HB ALA 57 3.939 5.252 15.203 451 HA PRO 58 HA PRO 58 7.195 4.777 9.935 452 1HB PRO 58 2HB PRO 58 9.571 6.091 11.053 453 2HB PRO 58 1HB PRO 58 8.759 6.370 9.510 454 1HG PRO 58 2HG PRO 58 8.654 8.160 11.517 455 2HG PRO 58 1HG PRO 58 7.296 7.907 10.404 456 1HD PRO 58 2HD PRO 58 7.674 6.885 13.196 457 2HD PRO 58 1HD PRO 58 6.215 7.546 12.427 458 H ALA 59 H ALA 59 8.176 2.876 9.702 459 HA ALA 59 HA ALA 59 8.987 1.333 11.924 460 1HB ALA 59 1HB ALA 59 8.106 0.318 9.872 461 2HB ALA 59 2HB ALA 59 9.693 -0.332 10.282 462 3HB ALA 59 3HB ALA 59 9.536 0.858 8.992 463 H GLN 60 H GLN 60 10.941 0.945 12.785 464 HA GLN 60 HA GLN 60 13.048 2.779 12.335 465 1HB GLN 60 2HB GLN 60 14.329 1.292 13.903 466 2HB GLN 60 1HB GLN 60 12.792 1.868 14.531 467 1HG GLN 60 2HG GLN 60 11.783 -0.308 13.903 468 2HG GLN 60 1HG GLN 60 13.389 -0.870 13.438 469 1HE2 GLN 60 1HE2 GLN 60 14.924 -1.272 15.014 470 2HE2 GLN 60 2HE2 GLN 60 14.510 -1.418 16.690 471 HA PRO 61 HA PRO 61 15.375 1.244 8.964 472 1HB PRO 61 2HB PRO 61 17.712 1.299 10.825 473 2HB PRO 61 1HB PRO 61 17.548 1.992 9.207 474 1HG PRO 61 2HG PRO 61 17.416 3.549 11.352 475 2HG PRO 61 1HG PRO 61 16.339 3.821 9.970 476 1HD PRO 61 2HD PRO 61 15.744 2.617 12.629 477 2HD PRO 61 1HD PRO 61 14.713 3.615 11.585 478 H SER 62 H SER 62 15.464 -0.736 8.214 479 HA SER 62 HA SER 62 15.194 -3.035 9.741 480 1HB SER 62 2HB SER 62 16.350 -2.854 6.950 481 2HB SER 62 1HB SER 62 15.542 -4.246 7.676 482 HG SER 62 HG SER 62 13.635 -3.291 7.437 483 H LEU 63 H LEU 63 16.547 -4.476 10.628 484 HA LEU 63 HA LEU 63 19.193 -3.774 11.242 485 1HB LEU 63 2HB LEU 63 17.753 -6.420 11.428 486 2HB LEU 63 1HB LEU 63 19.382 -6.174 12.018 487 HG LEU 63 HG LEU 63 17.966 -6.057 13.896 488 1HD1 LEU 63 1HD1 LEU 63 18.622 -3.242 13.054 489 2HD1 LEU 63 2HD1 LEU 63 19.708 -4.368 13.868 490 3HD1 LEU 63 3HD1 LEU 63 18.270 -3.771 14.699 491 1HD2 LEU 63 1HD2 LEU 63 16.042 -4.539 14.057 492 2HD2 LEU 63 2HD2 LEU 63 15.829 -5.756 12.798 493 3HD2 LEU 63 3HD2 LEU 63 16.260 -4.102 12.363 494 H GLU 64 H GLU 64 20.974 -3.923 10.090 495 HA GLU 64 HA GLU 64 22.576 -4.611 8.652 496 1HB GLU 64 2HB GLU 64 21.826 -6.856 9.757 497 2HB GLU 64 1HB GLU 64 21.113 -7.187 8.186 498 1HG GLU 64 2HG GLU 64 23.999 -6.441 8.525 499 2HG GLU 64 1HG GLU 64 23.430 -8.106 8.619 500 H HIS 65 H HIS 65 22.290 -3.189 7.021 501 HA HIS 65 HA HIS 65 20.059 -3.396 5.210 502 1HB HIS 65 2HB HIS 65 22.364 -1.469 5.401 503 2HB HIS 65 1HB HIS 65 21.166 -1.392 4.117 504 HD1 HIS 65 1HD HIS 65 21.599 -0.781 7.791 505 HD2 HIS 65 2HD HIS 65 18.671 -0.392 4.865 506 HE1 HIS 65 1HE HIS 65 19.809 0.668 8.809 507 HE2 HIS 65 2HE HIS 65 18.167 1.072 6.933 508 H HIS 66 H HIS 66 20.739 -5.557 4.458 509 HA HIS 66 HA HIS 66 22.954 -5.695 2.634 510 1HB HIS 66 2HB HIS 66 21.762 -7.923 1.990 511 2HB HIS 66 1HB HIS 66 22.536 -7.777 3.561 512 HD1 HIS 66 1HD HIS 66 21.142 -8.214 5.554 513 HD2 HIS 66 2HD HIS 66 18.847 -7.678 2.126 514 HE1 HIS 66 1HE HIS 66 18.776 -8.783 6.221 515 HE2 HIS 66 2HE HIS 66 17.380 -8.227 4.191 516 H HIS 67 H HIS 67 22.942 -4.734 0.741 517 HA HIS 67 HA HIS 67 20.468 -4.109 -0.634 518 1HB HIS 67 2HB HIS 67 23.366 -3.560 -1.306 519 2HB HIS 67 1HB HIS 67 22.034 -3.106 -2.360 520 HD1 HIS 67 1HD HIS 67 21.426 -0.728 -2.112 521 HD2 HIS 67 2HD HIS 67 22.826 -2.348 1.458 522 HE1 HIS 67 1HE HIS 67 21.412 1.164 -0.451 523 HE2 HIS 67 2HE HIS 67 22.394 0.195 1.660 524 H HIS 68 H HIS 68 19.775 -4.984 -2.568 525 HA HIS 68 HA HIS 68 20.852 -7.621 -3.170 526 1HB HIS 68 2HB HIS 68 18.377 -7.159 -2.942 527 2HB HIS 68 1HB HIS 68 18.477 -6.248 -4.445 528 HD1 HIS 68 1HD HIS 68 18.321 -9.682 -3.077 529 HD2 HIS 68 2HD HIS 68 18.940 -7.846 -6.760 530 HE1 HIS 68 1HE HIS 68 18.076 -11.503 -4.795 531 HE2 HIS 68 2HE HIS 68 18.265 -10.334 -7.020 532 H HIS 69 H HIS 69 22.576 -7.662 -4.471 533 HA HIS 69 HA HIS 69 22.450 -6.296 -7.053 534 1HB HIS 69 2HB HIS 69 23.553 -4.708 -5.470 535 2HB HIS 69 1HB HIS 69 24.788 -5.921 -5.164 536 HD1 HIS 69 1HD HIS 69 26.653 -6.164 -6.886 537 HD2 HIS 69 2HD HIS 69 23.700 -3.467 -8.016 538 HE1 HIS 69 1HE HIS 69 27.570 -4.957 -8.887 539 HE2 HIS 69 2HE HIS 69 25.890 -3.139 -9.356 540 H HIS 70 H HIS 70 23.614 -7.366 -8.657 541 HA HIS 70 HA HIS 70 24.856 -9.889 -7.820 542 1HB HIS 70 2HB HIS 70 23.902 -8.942 -10.532 543 2HB HIS 70 1HB HIS 70 24.748 -10.462 -10.270 544 HD1 HIS 70 1HD HIS 70 21.918 -10.453 -11.454 545 HD2 HIS 70 2HD HIS 70 22.752 -10.854 -7.395 546 HE1 HIS 70 1HE HIS 70 19.899 -11.565 -10.448 547 HE2 HIS 70 2HE HIS 70 20.516 -11.992 -8.040 Start of MODEL 6 1 1H MET 1 1H MET 1 -13.927 -12.760 -23.326 2 2H MET 1 2H MET 1 -12.498 -11.867 -23.147 3 3H MET 1 3H MET 1 -13.913 -11.093 -23.665 4 HA MET 1 HA MET 1 -13.569 -10.538 -21.407 5 1HB MET 1 2HB MET 1 -15.750 -12.573 -21.858 6 2HB MET 1 1HB MET 1 -15.576 -11.719 -20.331 7 1HG MET 1 2HG MET 1 -17.234 -10.614 -21.632 8 2HG MET 1 1HG MET 1 -15.811 -9.580 -21.548 9 1HE MET 1 1HE MET 1 -17.241 -8.741 -25.084 10 2HE MET 1 2HE MET 1 -16.708 -8.094 -23.532 11 3HE MET 1 3HE MET 1 -18.158 -9.092 -23.619 12 H GLU 2 H GLU 2 -11.643 -11.201 -20.550 13 HA GLU 2 HA GLU 2 -11.456 -13.904 -19.479 14 1HB GLU 2 2HB GLU 2 -9.434 -11.653 -19.599 15 2HB GLU 2 1HB GLU 2 -9.114 -13.241 -18.921 16 1HG GLU 2 2HG GLU 2 -8.187 -13.232 -21.085 17 2HG GLU 2 1HG GLU 2 -9.652 -14.203 -21.175 18 H SER 3 H SER 3 -12.611 -14.071 -17.667 19 HA SER 3 HA SER 3 -13.527 -13.665 -15.635 20 1HB SER 3 2HB SER 3 -11.228 -11.733 -15.230 21 2HB SER 3 1HB SER 3 -12.227 -12.457 -13.971 22 HG SER 3 HG SER 3 -11.101 -14.307 -15.637 23 H ARG 4 H ARG 4 -14.026 -11.433 -14.149 24 HA ARG 4 HA ARG 4 -15.650 -9.846 -15.926 25 1HB ARG 4 2HB ARG 4 -16.429 -10.440 -13.657 26 2HB ARG 4 1HB ARG 4 -15.111 -9.502 -12.967 27 1HG ARG 4 2HG ARG 4 -17.225 -8.289 -12.895 28 2HG ARG 4 1HG ARG 4 -16.038 -7.463 -13.906 29 1HD ARG 4 2HD ARG 4 -18.244 -7.453 -14.952 30 2HD ARG 4 1HD ARG 4 -17.094 -8.388 -15.908 31 HE ARG 4 HE ARG 4 -18.363 -10.191 -14.229 32 1HH1 ARG 4 1HH1 ARG 4 -19.322 -7.974 -16.772 33 2HH1 ARG 4 2HH1 ARG 4 -20.658 -8.956 -17.285 34 1HH2 ARG 4 1HH2 ARG 4 -20.097 -11.475 -14.909 35 2HH2 ARG 4 2HH2 ARG 4 -21.094 -10.953 -16.237 36 H LEU 5 H LEU 5 -13.321 -8.796 -13.451 37 HA LEU 5 HA LEU 5 -12.069 -7.000 -15.386 38 1HB LEU 5 2HB LEU 5 -13.191 -6.119 -12.717 39 2HB LEU 5 1HB LEU 5 -12.112 -5.152 -13.703 40 HG LEU 5 HG LEU 5 -14.862 -6.063 -14.566 41 1HD1 LEU 5 1HD1 LEU 5 -15.518 -3.729 -14.232 42 2HD1 LEU 5 2HD1 LEU 5 -13.920 -3.372 -13.575 43 3HD1 LEU 5 3HD1 LEU 5 -14.999 -4.476 -12.720 44 1HD2 LEU 5 1HD2 LEU 5 -12.942 -4.096 -15.808 45 2HD2 LEU 5 2HD2 LEU 5 -14.562 -4.473 -16.389 46 3HD2 LEU 5 3HD2 LEU 5 -13.305 -5.707 -16.422 47 H LEU 6 H LEU 6 -9.974 -7.496 -15.311 48 HA LEU 6 HA LEU 6 -8.856 -8.652 -12.883 49 1HB LEU 6 2HB LEU 6 -7.741 -8.328 -15.664 50 2HB LEU 6 1HB LEU 6 -6.834 -9.016 -14.329 51 HG LEU 6 HG LEU 6 -9.382 -10.147 -15.499 52 1HD1 LEU 6 1HD1 LEU 6 -6.525 -11.106 -15.626 53 2HD1 LEU 6 2HD1 LEU 6 -7.472 -10.456 -16.965 54 3HD1 LEU 6 3HD1 LEU 6 -7.931 -11.989 -16.222 55 1HD2 LEU 6 1HD2 LEU 6 -8.983 -12.041 -14.011 56 2HD2 LEU 6 2HD2 LEU 6 -9.226 -10.551 -13.099 57 3HD2 LEU 6 3HD2 LEU 6 -7.601 -11.202 -13.306 58 H ASP 7 H ASP 7 -9.550 -5.758 -13.270 59 HA ASP 7 HA ASP 7 -7.271 -4.765 -11.814 60 1HB ASP 7 2HB ASP 7 -6.837 -4.369 -14.337 61 2HB ASP 7 1HB ASP 7 -8.123 -3.172 -14.229 62 H ILE 8 H ILE 8 -8.432 -4.180 -10.081 63 HA ILE 8 HA ILE 8 -10.968 -2.758 -10.536 64 HB ILE 8 HB ILE 8 -11.633 -3.599 -8.252 65 1HG1 ILE 8 2HG1 ILE 8 -9.287 -5.467 -8.684 66 2HG1 ILE 8 1HG1 ILE 8 -9.364 -4.200 -7.465 67 1HG2 ILE 8 1HG2 ILE 8 -12.547 -4.557 -10.267 68 2HG2 ILE 8 2HG2 ILE 8 -12.252 -5.837 -9.088 69 3HG2 ILE 8 3HG2 ILE 8 -11.144 -5.610 -10.444 70 1HD1 ILE 8 1HD1 ILE 8 -11.144 -6.621 -7.614 71 2HD1 ILE 8 2HD1 ILE 8 -11.241 -5.350 -6.398 72 3HD1 ILE 8 3HD1 ILE 8 -9.808 -6.371 -6.492 73 H LEU 9 H LEU 9 -8.306 -2.988 -8.145 74 HA LEU 9 HA LEU 9 -9.118 -0.356 -7.156 75 1HB LEU 9 2HB LEU 9 -7.948 -2.722 -5.941 76 2HB LEU 9 1HB LEU 9 -7.078 -1.260 -5.517 77 HG LEU 9 HG LEU 9 -8.756 -1.771 -3.840 78 1HD1 LEU 9 1HD1 LEU 9 -9.514 0.627 -5.501 79 2HD1 LEU 9 2HD1 LEU 9 -8.259 0.570 -4.263 80 3HD1 LEU 9 3HD1 LEU 9 -9.951 0.358 -3.813 81 1HD2 LEU 9 1HD2 LEU 9 -11.141 -1.715 -4.365 82 2HD2 LEU 9 2HD2 LEU 9 -10.320 -3.020 -5.225 83 3HD2 LEU 9 3HD2 LEU 9 -10.761 -1.539 -6.079 84 H VAL 10 H VAL 10 -8.142 1.300 -8.038 85 HA VAL 10 HA VAL 10 -5.242 1.141 -8.479 86 HB VAL 10 HB VAL 10 -5.503 2.746 -10.360 87 1HG1 VAL 10 1HG1 VAL 10 -6.358 1.131 -12.003 88 2HG1 VAL 10 2HG1 VAL 10 -7.008 0.151 -10.689 89 3HG1 VAL 10 3HG1 VAL 10 -5.266 0.378 -10.842 90 1HG2 VAL 10 1HG2 VAL 10 -7.649 3.718 -9.716 91 2HG2 VAL 10 2HG2 VAL 10 -8.453 2.187 -10.049 92 3HG2 VAL 10 3HG2 VAL 10 -7.711 3.096 -11.365 93 H CYS 11 H CYS 11 -4.059 2.991 -7.959 94 HA CYS 11 HA CYS 11 -4.918 4.615 -5.878 95 1HB CYS 11 2HB CYS 11 -2.568 4.377 -6.328 96 2HB CYS 11 1HB CYS 11 -2.753 5.036 -7.945 97 HG CYS 11 HG CYS 11 -1.419 6.749 -5.967 98 HA PRO 12 HA PRO 12 -7.851 7.244 -7.962 99 1HB PRO 12 2HB PRO 12 -7.786 9.248 -6.038 100 2HB PRO 12 1HB PRO 12 -8.825 7.821 -5.987 101 1HG PRO 12 2HG PRO 12 -6.215 8.323 -4.618 102 2HG PRO 12 1HG PRO 12 -7.658 7.490 -4.012 103 1HD PRO 12 2HD PRO 12 -5.504 6.132 -4.828 104 2HD PRO 12 1HD PRO 12 -7.147 5.526 -5.139 105 H VAL 13 H VAL 13 -4.769 8.410 -6.723 106 HA VAL 13 HA VAL 13 -4.926 10.865 -8.251 107 HB VAL 13 HB VAL 13 -2.622 9.809 -6.606 108 1HG1 VAL 13 1HG1 VAL 13 -3.231 12.583 -7.635 109 2HG1 VAL 13 2HG1 VAL 13 -1.937 11.525 -8.198 110 3HG1 VAL 13 3HG1 VAL 13 -1.901 12.166 -6.554 111 1HG2 VAL 13 1HG2 VAL 13 -3.444 11.322 -4.842 112 2HG2 VAL 13 2HG2 VAL 13 -4.607 10.051 -5.222 113 3HG2 VAL 13 3HG2 VAL 13 -4.855 11.684 -5.834 114 H CYS 14 H CYS 14 -2.502 8.243 -8.063 115 HA CYS 14 HA CYS 14 -1.373 9.163 -10.572 116 1HB CYS 14 2HB CYS 14 -0.440 6.947 -8.746 117 2HB CYS 14 1HB CYS 14 0.482 7.692 -10.050 118 HG CYS 14 HG CYS 14 0.480 8.504 -6.936 119 H LYS 15 H LYS 15 -3.656 6.860 -9.658 120 HA LYS 15 HA LYS 15 -4.584 5.025 -10.610 121 1HB LYS 15 2HB LYS 15 -3.420 6.245 -13.119 122 2HB LYS 15 1HB LYS 15 -4.643 4.983 -13.079 123 1HG LYS 15 2HG LYS 15 -4.981 7.751 -11.939 124 2HG LYS 15 1HG LYS 15 -5.576 7.213 -13.504 125 1HD LYS 15 2HD LYS 15 -6.848 5.415 -12.261 126 2HD LYS 15 1HD LYS 15 -6.421 6.270 -10.779 127 1HE LYS 15 2HE LYS 15 -8.009 7.372 -13.097 128 2HE LYS 15 1HE LYS 15 -8.640 6.918 -11.516 129 1HZ LYS 15 1HZ LYS 15 -8.376 9.275 -11.595 130 2HZ LYS 15 2HZ LYS 15 -6.766 9.146 -12.115 131 3HZ LYS 15 3HZ LYS 15 -7.196 8.658 -10.549 132 H GLY 16 H GLY 16 -1.831 4.790 -9.621 133 1HA GLY 16 2HA GLY 16 -0.470 3.037 -11.484 134 2HA GLY 16 1HA GLY 16 0.109 3.540 -9.908 135 H ARG 17 H ARG 17 -3.038 2.435 -9.794 136 HA ARG 17 HA ARG 17 -4.098 0.575 -9.064 137 1HB ARG 17 2HB ARG 17 -2.932 -0.589 -10.895 138 2HB ARG 17 1HB ARG 17 -1.571 -0.897 -9.829 139 1HG ARG 17 2HG ARG 17 -2.953 -2.299 -8.420 140 2HG ARG 17 1HG ARG 17 -4.369 -1.927 -9.405 141 1HD ARG 17 2HD ARG 17 -1.882 -3.341 -10.358 142 2HD ARG 17 1HD ARG 17 -3.419 -4.113 -9.965 143 HE ARG 17 HE ARG 17 -4.377 -2.705 -11.810 144 1HH1 ARG 17 1HH1 ARG 17 -0.993 -3.631 -11.763 145 2HH1 ARG 17 2HH1 ARG 17 -0.801 -3.510 -13.487 146 1HH2 ARG 17 1HH2 ARG 17 -4.138 -2.554 -14.073 147 2HH2 ARG 17 2HH2 ARG 17 -2.604 -2.939 -14.814 148 H LEU 18 H LEU 18 -4.258 -0.821 -7.232 149 HA LEU 18 HA LEU 18 -2.259 -0.236 -5.145 150 1HB LEU 18 2HB LEU 18 -5.215 -0.768 -4.805 151 2HB LEU 18 1HB LEU 18 -4.079 -0.428 -3.516 152 HG LEU 18 HG LEU 18 -4.850 1.501 -5.705 153 1HD1 LEU 18 1HD1 LEU 18 -6.007 2.711 -3.922 154 2HD1 LEU 18 2HD1 LEU 18 -5.615 1.416 -2.790 155 3HD1 LEU 18 3HD1 LEU 18 -6.681 1.099 -4.160 156 1HD2 LEU 18 1HD2 LEU 18 -3.140 1.888 -3.250 157 2HD2 LEU 18 2HD2 LEU 18 -3.630 3.149 -4.377 158 3HD2 LEU 18 3HD2 LEU 18 -2.569 1.851 -4.917 159 H GLU 19 H GLU 19 -1.306 -1.950 -4.198 160 HA GLU 19 HA GLU 19 -2.134 -4.593 -5.149 161 1HB GLU 19 2HB GLU 19 0.478 -3.590 -4.019 162 2HB GLU 19 1HB GLU 19 0.165 -5.277 -4.395 163 1HG GLU 19 2HG GLU 19 0.026 -3.038 -6.402 164 2HG GLU 19 1HG GLU 19 1.437 -4.063 -6.144 165 H PHE 20 H PHE 20 -2.807 -6.151 -3.797 166 HA PHE 20 HA PHE 20 -3.507 -5.387 -1.121 167 1HB PHE 20 2HB PHE 20 -5.073 -6.693 -2.441 168 2HB PHE 20 1HB PHE 20 -3.891 -7.985 -2.617 169 HD1 PHE 20 1HD PHE 20 -5.901 -6.149 -0.089 170 HD2 PHE 20 2HD PHE 20 -3.787 -9.715 -1.062 171 HE1 PHE 20 1HE PHE 20 -6.774 -7.216 1.947 172 HE2 PHE 20 2HE PHE 20 -4.653 -10.787 0.977 173 HZ PHE 20 HZ PHE 20 -6.150 -9.536 2.483 174 H GLN 21 H GLN 21 -2.064 -5.442 0.464 175 HA GLN 21 HA GLN 21 0.002 -7.497 0.472 176 1HB GLN 21 2HB GLN 21 -0.424 -5.073 2.229 177 2HB GLN 21 1HB GLN 21 0.927 -6.186 2.368 178 1HG GLN 21 2HG GLN 21 0.311 -4.611 -0.115 179 2HG GLN 21 1HG GLN 21 1.415 -4.066 1.146 180 1HE2 GLN 21 1HE2 GLN 21 3.142 -4.029 -0.282 181 2HE2 GLN 21 2HE2 GLN 21 3.908 -5.471 -0.851 182 H ARG 22 H ARG 22 0.367 -8.793 2.351 183 HA ARG 22 HA ARG 22 -2.173 -9.587 3.567 184 1HB ARG 22 2HB ARG 22 0.509 -10.979 3.435 185 2HB ARG 22 1HB ARG 22 -0.909 -11.636 4.247 186 1HG ARG 22 2HG ARG 22 -2.132 -11.624 2.137 187 2HG ARG 22 1HG ARG 22 -0.721 -10.954 1.321 188 1HD ARG 22 2HD ARG 22 -0.810 -13.619 2.729 189 2HD ARG 22 1HD ARG 22 -0.977 -13.388 0.991 190 HE ARG 22 HE ARG 22 1.467 -12.989 2.579 191 1HH1 ARG 22 1HH1 ARG 22 -0.130 -13.077 -0.546 192 2HH1 ARG 22 2HH1 ARG 22 1.346 -13.304 -1.432 193 1HH2 ARG 22 1HH2 ARG 22 3.425 -13.265 1.391 194 2HH2 ARG 22 2HH2 ARG 22 3.350 -13.420 -0.345 195 H ALA 23 H ALA 23 -0.293 -7.305 4.334 196 HA ALA 23 HA ALA 23 -0.177 -7.909 7.205 197 1HB ALA 23 1HB ALA 23 1.577 -6.226 7.391 198 2HB ALA 23 2HB ALA 23 1.468 -5.898 5.661 199 3HB ALA 23 3HB ALA 23 2.038 -7.469 6.226 200 H GLN 24 H GLN 24 -1.916 -7.115 8.086 201 HA GLN 24 HA GLN 24 -3.461 -5.647 8.880 202 1HB GLN 24 2HB GLN 24 -1.724 -3.656 7.429 203 2HB GLN 24 1HB GLN 24 -3.204 -3.181 8.246 204 1HG GLN 24 2HG GLN 24 -0.857 -4.527 9.568 205 2HG GLN 24 1HG GLN 24 -1.189 -2.795 9.596 206 1HE2 GLN 24 1HE2 GLN 24 -2.072 -5.894 10.825 207 2HE2 GLN 24 2HE2 GLN 24 -3.163 -5.340 12.045 208 H ALA 25 H ALA 25 -3.182 -6.629 5.827 209 HA ALA 25 HA ALA 25 -4.538 -6.755 4.009 210 1HB ALA 25 1HB ALA 25 -6.935 -6.524 4.348 211 2HB ALA 25 2HB ALA 25 -6.659 -5.730 5.898 212 3HB ALA 25 3HB ALA 25 -6.210 -7.423 5.682 213 H GLU 26 H GLU 26 -2.990 -4.403 4.374 214 HA GLU 26 HA GLU 26 -4.722 -2.258 3.406 215 1HB GLU 26 2HB GLU 26 -2.809 -0.775 3.855 216 2HB GLU 26 1HB GLU 26 -3.272 -1.689 5.283 217 1HG GLU 26 2HG GLU 26 -1.423 -3.316 4.634 218 2HG GLU 26 1HG GLU 26 -0.879 -2.066 3.518 219 H LEU 27 H LEU 27 -4.549 -1.383 1.414 220 HA LEU 27 HA LEU 27 -3.073 -2.896 -0.574 221 1HB LEU 27 2HB LEU 27 -4.808 -0.458 -0.951 222 2HB LEU 27 1HB LEU 27 -4.273 -1.565 -2.193 223 HG LEU 27 HG LEU 27 -6.146 -2.307 0.051 224 1HD1 LEU 27 1HD1 LEU 27 -7.171 -0.698 -1.470 225 2HD1 LEU 27 2HD1 LEU 27 -7.889 -2.299 -1.654 226 3HD1 LEU 27 3HD1 LEU 27 -6.729 -1.710 -2.846 227 1HD2 LEU 27 1HD2 LEU 27 -4.853 -4.193 -0.790 228 2HD2 LEU 27 2HD2 LEU 27 -5.328 -3.794 -2.441 229 3HD2 LEU 27 3HD2 LEU 27 -6.545 -4.321 -1.277 230 H VAL 28 H VAL 28 -0.988 -2.414 -0.823 231 HA VAL 28 HA VAL 28 -0.094 0.316 -0.280 232 HB VAL 28 HB VAL 28 1.529 -2.204 -0.691 233 1HG1 VAL 28 1HG1 VAL 28 2.774 -0.241 -1.403 234 2HG1 VAL 28 2HG1 VAL 28 3.428 -0.864 0.112 235 3HG1 VAL 28 3HG1 VAL 28 2.401 0.571 0.118 236 1HG2 VAL 28 1HG2 VAL 28 1.968 -2.047 1.709 237 2HG2 VAL 28 2HG2 VAL 28 0.239 -2.206 1.387 238 3HG2 VAL 28 3HG2 VAL 28 0.917 -0.633 1.815 239 H CYS 29 H CYS 29 0.194 1.680 -1.880 240 HA CYS 29 HA CYS 29 0.587 0.722 -4.610 241 1HB CYS 29 2HB CYS 29 -0.977 2.586 -4.247 242 2HB CYS 29 1HB CYS 29 0.304 3.527 -3.497 243 HG CYS 29 HG CYS 29 0.279 4.776 -5.828 244 H ASN 30 H ASN 30 2.598 0.267 -5.217 245 HA ASN 30 HA ASN 30 4.847 0.947 -3.647 246 1HB ASN 30 2HB ASN 30 4.739 -0.133 -6.472 247 2HB ASN 30 1HB ASN 30 6.185 -0.068 -5.472 248 1HD2 ASN 30 1HD2 ASN 30 3.267 -1.730 -6.166 249 2HD2 ASN 30 2HD2 ASN 30 3.481 -3.032 -5.048 250 H ALA 31 H ALA 31 3.248 2.584 -6.196 251 HA ALA 31 HA ALA 31 5.516 4.190 -6.968 252 1HB ALA 31 1HB ALA 31 3.925 5.361 -8.406 253 2HB ALA 31 2HB ALA 31 2.597 4.467 -7.668 254 3HB ALA 31 3HB ALA 31 3.814 3.613 -8.618 255 H ASP 32 H ASP 32 2.755 4.470 -4.823 256 HA ASP 32 HA ASP 32 3.359 7.297 -4.345 257 1HB ASP 32 2HB ASP 32 0.964 5.606 -3.658 258 2HB ASP 32 1HB ASP 32 1.193 7.227 -3.013 259 H ARG 33 H ARG 33 3.858 4.249 -2.969 260 HA ARG 33 HA ARG 33 4.764 3.534 -1.007 261 1HB ARG 33 2HB ARG 33 5.329 6.433 -0.404 262 2HB ARG 33 1HB ARG 33 6.104 5.025 0.316 263 1HG ARG 33 2HG ARG 33 6.940 4.428 -1.961 264 2HG ARG 33 1HG ARG 33 6.328 5.987 -2.519 265 1HD ARG 33 2HD ARG 33 7.719 7.023 -0.683 266 2HD ARG 33 1HD ARG 33 8.479 5.439 -0.512 267 HE ARG 33 HE ARG 33 8.459 6.420 -3.219 268 1HH1 ARG 33 1HH1 ARG 33 10.223 6.437 -0.186 269 2HH1 ARG 33 2HH1 ARG 33 11.727 6.868 -0.928 270 1HH2 ARG 33 1HH2 ARG 33 10.424 6.985 -4.192 271 2HH2 ARG 33 2HH2 ARG 33 11.851 7.185 -3.218 272 H LEU 34 H LEU 34 1.980 4.324 -1.280 273 HA LEU 34 HA LEU 34 1.311 5.011 1.506 274 1HB LEU 34 2HB LEU 34 -0.202 5.490 -1.058 275 2HB LEU 34 1HB LEU 34 -0.944 5.637 0.523 276 HG LEU 34 HG LEU 34 1.443 7.250 -0.354 277 1HD1 LEU 34 1HD1 LEU 34 -1.472 8.025 -0.304 278 2HD1 LEU 34 2HD1 LEU 34 -0.497 7.769 -1.752 279 3HD1 LEU 34 3HD1 LEU 34 -0.122 9.101 -0.658 280 1HD2 LEU 34 1HD2 LEU 34 0.881 8.638 1.567 281 2HD2 LEU 34 2HD2 LEU 34 1.195 6.975 2.063 282 3HD2 LEU 34 3HD2 LEU 34 -0.463 7.565 1.959 283 H ALA 35 H ALA 35 -0.335 3.872 2.523 284 HA ALA 35 HA ALA 35 -1.072 1.325 1.232 285 1HB ALA 35 1HB ALA 35 0.661 0.980 2.927 286 2HB ALA 35 2HB ALA 35 -0.863 0.220 3.390 287 3HB ALA 35 3HB ALA 35 -0.374 1.741 4.136 288 H PHE 36 H PHE 36 -3.169 1.247 0.902 289 HA PHE 36 HA PHE 36 -4.985 2.764 2.643 290 1HB PHE 36 2HB PHE 36 -5.445 1.522 -0.075 291 2HB PHE 36 1HB PHE 36 -6.633 2.454 0.823 292 HD1 PHE 36 2HD PHE 36 -6.197 4.890 1.256 293 HD2 PHE 36 1HD PHE 36 -3.806 2.566 -1.388 294 HE1 PHE 36 2HE PHE 36 -5.346 6.952 0.217 295 HE2 PHE 36 1HE PHE 36 -2.949 4.622 -2.428 296 HZ PHE 36 HZ PHE 36 -3.719 6.819 -1.627 297 HA PRO 37 HA PRO 37 -5.677 -1.347 4.380 298 1HB PRO 37 2HB PRO 37 -7.301 0.050 6.369 299 2HB PRO 37 1HB PRO 37 -5.815 -0.874 6.587 300 1HG PRO 37 2HG PRO 37 -5.901 1.813 6.857 301 2HG PRO 37 1HG PRO 37 -4.467 0.955 6.262 302 1HD PRO 37 2HD PRO 37 -6.551 2.457 4.719 303 2HD PRO 37 1HD PRO 37 -4.788 2.418 4.494 304 H VAL 38 H VAL 38 -7.236 -2.779 3.931 305 HA VAL 38 HA VAL 38 -9.852 -1.828 3.080 306 HB VAL 38 HB VAL 38 -8.798 -4.664 3.175 307 1HG1 VAL 38 1HG1 VAL 38 -11.223 -3.509 1.794 308 2HG1 VAL 38 2HG1 VAL 38 -11.235 -4.560 3.211 309 3HG1 VAL 38 3HG1 VAL 38 -10.658 -5.174 1.660 310 1HG2 VAL 38 1HG2 VAL 38 -8.954 -2.733 0.863 311 2HG2 VAL 38 2HG2 VAL 38 -8.481 -4.429 0.757 312 3HG2 VAL 38 3HG2 VAL 38 -7.483 -3.289 1.659 313 H ARG 39 H ARG 39 -11.279 -1.414 4.620 314 HA ARG 39 HA ARG 39 -11.101 -2.851 7.149 315 1HB ARG 39 2HB ARG 39 -11.234 -0.354 7.097 316 2HB ARG 39 1HB ARG 39 -12.848 -0.497 6.419 317 1HG ARG 39 2HG ARG 39 -13.645 -1.579 8.419 318 2HG ARG 39 1HG ARG 39 -12.019 -1.585 9.103 319 1HD ARG 39 2HD ARG 39 -12.007 0.861 9.086 320 2HD ARG 39 1HD ARG 39 -13.626 0.867 8.389 321 HE ARG 39 HE ARG 39 -13.801 -0.599 10.721 322 1HH1 ARG 39 1HH1 ARG 39 -12.786 2.643 9.874 323 2HH1 ARG 39 2HH1 ARG 39 -13.398 3.352 11.344 324 1HH2 ARG 39 1HH2 ARG 39 -14.588 0.319 12.657 325 2HH2 ARG 39 2HH2 ARG 39 -14.412 2.027 12.924 326 H ASP 40 H ASP 40 -11.827 -4.773 6.007 327 HA ASP 40 HA ASP 40 -13.329 -6.399 5.576 328 1HB ASP 40 2HB ASP 40 -14.030 -5.876 7.884 329 2HB ASP 40 1HB ASP 40 -15.198 -4.718 7.255 330 H GLY 41 H GLY 41 -13.445 -6.035 3.357 331 1HA GLY 41 2HA GLY 41 -14.822 -6.064 1.488 332 2HA GLY 41 1HA GLY 41 -16.124 -5.416 2.466 333 H VAL 42 H VAL 42 -14.439 -3.132 3.379 334 HA VAL 42 HA VAL 42 -14.655 -1.571 0.888 335 HB VAL 42 HB VAL 42 -15.113 -0.598 3.709 336 1HG1 VAL 42 1HG1 VAL 42 -15.497 0.781 1.055 337 2HG1 VAL 42 2HG1 VAL 42 -14.239 1.141 2.236 338 3HG1 VAL 42 3HG1 VAL 42 -15.931 1.443 2.630 339 1HG2 VAL 42 1HG2 VAL 42 -16.888 -2.106 2.960 340 2HG2 VAL 42 2HG2 VAL 42 -17.092 -1.138 1.498 341 3HG2 VAL 42 3HG2 VAL 42 -17.467 -0.443 3.075 342 HA PRO 43 HA PRO 43 -10.266 -0.788 1.712 343 1HB PRO 43 2HB PRO 43 -10.361 0.493 -0.919 344 2HB PRO 43 1HB PRO 43 -9.418 -0.905 -0.394 345 1HG PRO 43 2HG PRO 43 -11.484 -1.124 -2.121 346 2HG PRO 43 1HG PRO 43 -11.070 -2.402 -0.964 347 1HD PRO 43 2HD PRO 43 -13.225 -0.321 -0.800 348 2HD PRO 43 1HD PRO 43 -13.296 -2.050 -0.393 349 H ILE 44 H ILE 44 -9.911 0.880 3.046 350 HA ILE 44 HA ILE 44 -11.431 3.319 2.772 351 HB ILE 44 HB ILE 44 -9.273 2.661 4.784 352 1HG1 ILE 44 2HG1 ILE 44 -11.116 1.060 4.924 353 2HG1 ILE 44 1HG1 ILE 44 -11.129 2.139 6.316 354 1HG2 ILE 44 1HG2 ILE 44 -9.691 5.051 4.566 355 2HG2 ILE 44 2HG2 ILE 44 -10.287 4.451 6.114 356 3HG2 ILE 44 3HG2 ILE 44 -11.419 4.785 4.802 357 1HD1 ILE 44 1HD1 ILE 44 -12.927 3.436 5.270 358 2HD1 ILE 44 2HD1 ILE 44 -13.376 1.748 5.507 359 3HD1 ILE 44 3HD1 ILE 44 -12.922 2.323 3.900 360 H MET 45 H MET 45 -10.667 4.190 0.845 361 HA MET 45 HA MET 45 -7.853 4.888 0.652 362 1HB MET 45 2HB MET 45 -10.156 5.371 -1.245 363 2HB MET 45 1HB MET 45 -8.497 5.855 -1.561 364 1HG MET 45 2HG MET 45 -7.828 3.471 -1.377 365 2HG MET 45 1HG MET 45 -9.534 3.051 -1.235 366 1HE MET 45 1HE MET 45 -10.898 5.121 -3.211 367 2HE MET 45 2HE MET 45 -11.316 3.408 -3.170 368 3HE MET 45 3HE MET 45 -10.944 4.187 -4.706 369 H LEU 46 H LEU 46 -8.265 6.156 2.706 370 HA LEU 46 HA LEU 46 -9.011 8.918 1.989 371 1HB LEU 46 2HB LEU 46 -9.212 7.567 4.687 372 2HB LEU 46 1HB LEU 46 -9.516 9.268 4.393 373 HG LEU 46 HG LEU 46 -11.119 6.988 3.228 374 1HD1 LEU 46 1HD1 LEU 46 -11.454 7.205 5.628 375 2HD1 LEU 46 2HD1 LEU 46 -12.881 7.747 4.748 376 3HD1 LEU 46 3HD1 LEU 46 -11.773 8.929 5.441 377 1HD2 LEU 46 1HD2 LEU 46 -11.077 8.941 1.762 378 2HD2 LEU 46 2HD2 LEU 46 -11.555 9.973 3.109 379 3HD2 LEU 46 3HD2 LEU 46 -12.666 8.745 2.504 380 H GLU 47 H GLU 47 -7.597 10.553 2.590 381 HA GLU 47 HA GLU 47 -4.868 9.687 2.815 382 1HB GLU 47 2HB GLU 47 -5.695 11.607 1.389 383 2HB GLU 47 1HB GLU 47 -5.911 12.523 2.873 384 1HG GLU 47 2HG GLU 47 -3.588 12.529 3.316 385 2HG GLU 47 1HG GLU 47 -3.275 11.333 2.059 386 H ALA 48 H ALA 48 -7.293 10.488 5.033 387 HA ALA 48 HA ALA 48 -5.429 11.245 7.141 388 1HB ALA 48 1HB ALA 48 -7.424 11.466 8.542 389 2HB ALA 48 2HB ALA 48 -8.416 10.823 7.230 390 3HB ALA 48 3HB ALA 48 -7.589 12.369 7.035 391 H GLU 49 H GLU 49 -6.602 8.418 5.783 392 HA GLU 49 HA GLU 49 -6.314 6.900 8.293 393 1HB GLU 49 2HB GLU 49 -7.874 6.299 5.779 394 2HB GLU 49 1HB GLU 49 -7.594 5.109 7.041 395 1HG GLU 49 2HG GLU 49 -8.841 7.745 7.694 396 2HG GLU 49 1HG GLU 49 -9.805 6.433 7.017 397 H ALA 50 H ALA 50 -5.200 7.243 5.010 398 HA ALA 50 HA ALA 50 -3.783 4.734 4.968 399 1HB ALA 50 1HB ALA 50 -2.979 5.460 2.790 400 2HB ALA 50 2HB ALA 50 -3.642 7.071 3.067 401 3HB ALA 50 3HB ALA 50 -4.723 5.685 2.918 402 H ARG 51 H ARG 51 -1.737 4.370 5.520 403 HA ARG 51 HA ARG 51 -0.161 6.628 6.505 404 1HB ARG 51 2HB ARG 51 1.228 4.993 7.622 405 2HB ARG 51 1HB ARG 51 -0.460 4.662 7.983 406 1HG ARG 51 2HG ARG 51 -0.472 2.864 6.337 407 2HG ARG 51 1HG ARG 51 1.215 3.209 5.946 408 1HD ARG 51 2HD ARG 51 1.852 2.686 8.247 409 2HD ARG 51 1HD ARG 51 0.170 2.341 8.637 410 HE ARG 51 HE ARG 51 0.351 0.502 6.937 411 1HH1 ARG 51 1HH1 ARG 51 3.226 1.765 8.512 412 2HH1 ARG 51 2HH1 ARG 51 4.063 0.242 8.474 413 1HH2 ARG 51 1HH2 ARG 51 1.440 -1.507 6.900 414 2HH2 ARG 51 2HH2 ARG 51 3.046 -1.620 7.573 415 H SER 52 H SER 52 1.935 7.069 5.770 416 HA SER 52 HA SER 52 2.646 5.822 3.234 417 1HB SER 52 2HB SER 52 2.626 8.167 3.076 418 2HB SER 52 1HB SER 52 3.542 8.364 4.556 419 HG SER 52 HG SER 52 4.414 7.990 2.014 420 H LEU 53 H LEU 53 4.617 4.967 2.869 421 HA LEU 53 HA LEU 53 5.779 3.648 5.173 422 1HB LEU 53 2HB LEU 53 6.521 3.463 2.250 423 2HB LEU 53 1HB LEU 53 7.086 2.395 3.520 424 HG LEU 53 HG LEU 53 4.225 2.652 2.589 425 1HD1 LEU 53 1HD1 LEU 53 4.555 0.406 1.681 426 2HD1 LEU 53 2HD1 LEU 53 6.251 0.460 2.162 427 3HD1 LEU 53 3HD1 LEU 53 5.645 1.574 0.935 428 1HD2 LEU 53 1HD2 LEU 53 4.368 2.093 4.960 429 2HD2 LEU 53 2HD2 LEU 53 5.474 0.769 4.592 430 3HD2 LEU 53 3HD2 LEU 53 3.807 0.710 4.018 431 H ASP 54 H ASP 54 6.301 6.511 3.571 432 HA ASP 54 HA ASP 54 9.165 6.568 4.233 433 1HB ASP 54 2HB ASP 54 8.525 7.074 1.881 434 2HB ASP 54 1HB ASP 54 7.576 8.440 2.461 435 H ALA 55 H ALA 55 6.092 7.742 5.114 436 HA ALA 55 HA ALA 55 7.040 10.165 6.378 437 1HB ALA 55 1HB ALA 55 4.720 10.503 7.027 438 2HB ALA 55 2HB ALA 55 4.309 8.890 6.446 439 3HB ALA 55 3HB ALA 55 4.844 10.127 5.308 440 H GLU 56 H GLU 56 6.174 6.899 7.360 441 HA GLU 56 HA GLU 56 6.334 7.638 10.167 442 1HB GLU 56 2HB GLU 56 5.788 5.252 10.592 443 2HB GLU 56 1HB GLU 56 4.589 6.084 9.615 444 1HG GLU 56 2HG GLU 56 5.307 4.986 7.646 445 2HG GLU 56 1HG GLU 56 6.751 4.360 8.438 446 H ALA 57 H ALA 57 7.471 5.443 11.323 447 HA ALA 57 HA ALA 57 10.253 6.019 11.012 448 1HB ALA 57 1HB ALA 57 9.259 5.518 13.199 449 2HB ALA 57 2HB ALA 57 10.573 4.403 12.819 450 3HB ALA 57 3HB ALA 57 8.895 3.883 12.653 451 HA PRO 58 HA PRO 58 10.897 2.928 7.882 452 1HB PRO 58 2HB PRO 58 13.678 3.732 7.886 453 2HB PRO 58 1HB PRO 58 12.441 4.060 6.673 454 1HG PRO 58 2HG PRO 58 13.560 5.983 8.255 455 2HG PRO 58 1HG PRO 58 11.929 6.104 7.569 456 1HD PRO 58 2HD PRO 58 12.775 5.304 10.329 457 2HD PRO 58 1HD PRO 58 11.414 6.328 9.820 458 H ALA 59 H ALA 59 13.394 1.749 7.542 459 HA ALA 59 HA ALA 59 13.280 -0.394 9.377 460 1HB ALA 59 1HB ALA 59 14.114 -0.647 7.079 461 2HB ALA 59 2HB ALA 59 15.285 -1.223 8.265 462 3HB ALA 59 3HB ALA 59 15.514 0.342 7.490 463 H GLN 60 H GLN 60 14.910 -1.100 10.858 464 HA GLN 60 HA GLN 60 15.528 0.867 12.751 465 1HB GLN 60 2HB GLN 60 16.657 -1.934 12.515 466 2HB GLN 60 1HB GLN 60 16.747 -0.913 13.940 467 1HG GLN 60 2HG GLN 60 15.015 -2.430 14.363 468 2HG GLN 60 1HG GLN 60 14.219 -0.917 13.947 469 1HE2 GLN 60 1HE2 GLN 60 12.322 -1.972 13.385 470 2HE2 GLN 60 2HE2 GLN 60 12.178 -2.897 11.921 471 HA PRO 61 HA PRO 61 19.398 2.255 10.964 472 1HB PRO 61 2HB PRO 61 19.555 4.041 13.259 473 2HB PRO 61 1HB PRO 61 19.320 4.449 11.557 474 1HG PRO 61 2HG PRO 61 17.379 4.754 13.434 475 2HG PRO 61 1HG PRO 61 17.029 4.410 11.732 476 1HD PRO 61 2HD PRO 61 17.058 2.546 14.077 477 2HD PRO 61 1HD PRO 61 15.917 2.631 12.716 478 H SER 62 H SER 62 20.302 0.176 11.577 479 HA SER 62 HA SER 62 22.144 0.424 13.834 480 1HB SER 62 2HB SER 62 20.378 -1.993 13.341 481 2HB SER 62 1HB SER 62 21.620 -1.864 14.586 482 HG SER 62 HG SER 62 20.102 0.236 14.901 483 H LEU 63 H LEU 63 23.059 -2.342 13.508 484 HA LEU 63 HA LEU 63 24.864 -1.839 11.327 485 1HB LEU 63 2HB LEU 63 24.582 -4.217 13.158 486 2HB LEU 63 1HB LEU 63 25.878 -4.004 11.998 487 HG LEU 63 HG LEU 63 25.333 -2.223 14.374 488 1HD1 LEU 63 1HD1 LEU 63 27.476 -3.132 15.203 489 2HD1 LEU 63 2HD1 LEU 63 27.480 -4.276 13.857 490 3HD1 LEU 63 3HD1 LEU 63 26.209 -4.350 15.077 491 1HD2 LEU 63 1HD2 LEU 63 27.590 -2.157 12.373 492 2HD2 LEU 63 2HD2 LEU 63 27.425 -1.129 13.796 493 3HD2 LEU 63 3HD2 LEU 63 26.269 -0.995 12.473 494 H GLU 64 H GLU 64 21.828 -2.762 11.146 495 HA GLU 64 HA GLU 64 22.087 -5.110 9.483 496 1HB GLU 64 2HB GLU 64 20.164 -4.633 11.102 497 2HB GLU 64 1HB GLU 64 19.586 -3.482 9.903 498 1HG GLU 64 2HG GLU 64 18.443 -5.615 9.705 499 2HG GLU 64 1HG GLU 64 19.398 -5.269 8.263 500 H HIS 65 H HIS 65 23.472 -4.061 7.906 501 HA HIS 65 HA HIS 65 21.869 -2.965 5.729 502 1HB HIS 65 2HB HIS 65 24.424 -1.660 6.709 503 2HB HIS 65 1HB HIS 65 23.649 -1.291 5.176 504 HD1 HIS 65 1HD HIS 65 21.313 -0.015 5.322 505 HD2 HIS 65 2HD HIS 65 23.406 -0.361 8.900 506 HE1 HIS 65 1HE HIS 65 20.276 1.662 6.883 507 HE2 HIS 65 2HE HIS 65 21.690 1.570 8.971 508 H HIS 66 H HIS 66 23.377 -2.860 3.687 509 HA HIS 66 HA HIS 66 25.025 -5.305 3.711 510 1HB HIS 66 2HB HIS 66 23.334 -4.013 1.608 511 2HB HIS 66 1HB HIS 66 24.732 -4.961 1.109 512 HD1 HIS 66 1HD HIS 66 23.079 -6.661 -0.000 513 HD2 HIS 66 2HD HIS 66 22.734 -6.342 4.136 514 HE1 HIS 66 1HE HIS 66 21.747 -8.665 0.728 515 HE2 HIS 66 2HE HIS 66 21.728 -8.557 3.243 516 H HIS 67 H HIS 67 27.067 -4.813 4.024 517 HA HIS 67 HA HIS 67 28.436 -3.104 2.156 518 1HB HIS 67 2HB HIS 67 27.844 -2.196 4.889 519 2HB HIS 67 1HB HIS 67 29.553 -2.122 4.470 520 HD1 HIS 67 1HD HIS 67 27.947 0.464 4.944 521 HD2 HIS 67 2HD HIS 67 28.548 -1.283 1.213 522 HE1 HIS 67 1HE HIS 67 27.653 2.315 3.266 523 HE2 HIS 67 2HE HIS 67 27.963 1.231 1.013 524 H HIS 68 H HIS 68 30.883 -2.905 3.422 525 HA HIS 68 HA HIS 68 31.822 -5.602 3.188 526 1HB HIS 68 2HB HIS 68 33.157 -3.710 2.378 527 2HB HIS 68 1HB HIS 68 33.278 -3.082 4.017 528 HD1 HIS 68 1HD HIS 68 34.389 -6.047 1.946 529 HD2 HIS 68 2HD HIS 68 35.369 -4.077 5.479 530 HE1 HIS 68 1HE HIS 68 36.520 -7.118 2.754 531 HE2 HIS 68 2HE HIS 68 37.189 -5.792 4.796 532 H HIS 69 H HIS 69 31.674 -7.046 4.744 533 HA HIS 69 HA HIS 69 31.337 -6.306 7.494 534 1HB HIS 69 2HB HIS 69 30.300 -8.342 6.464 535 2HB HIS 69 1HB HIS 69 31.907 -9.049 6.343 536 HD1 HIS 69 1HD HIS 69 29.307 -8.058 8.877 537 HD2 HIS 69 2HD HIS 69 32.903 -10.144 8.691 538 HE1 HIS 69 1HE HIS 69 29.548 -9.195 11.104 539 HE2 HIS 69 2HE HIS 69 31.820 -10.274 11.039 540 H HIS 70 H HIS 70 33.080 -5.284 8.303 541 HA HIS 70 HA HIS 70 35.743 -6.383 7.923 542 1HB HIS 70 2HB HIS 70 35.483 -3.962 7.763 543 2HB HIS 70 1HB HIS 70 34.775 -3.907 9.373 544 HD1 HIS 70 1HD HIS 70 36.366 -3.135 11.085 545 HD2 HIS 70 2HD HIS 70 38.290 -5.145 7.990 546 HE1 HIS 70 1HE HIS 70 38.815 -3.084 11.658 547 HE2 HIS 70 2HE HIS 70 39.974 -4.160 9.698 Start of MODEL 7 1 1H MET 1 1H MET 1 -10.568 -11.672 -18.777 2 2H MET 1 2H MET 1 -10.582 -12.969 -19.871 3 3H MET 1 3H MET 1 -10.746 -11.380 -20.434 4 HA MET 1 HA MET 1 -8.342 -12.485 -19.113 5 1HB MET 1 2HB MET 1 -9.004 -13.233 -21.516 6 2HB MET 1 1HB MET 1 -8.565 -11.600 -21.984 7 1HG MET 1 2HG MET 1 -6.671 -13.393 -20.505 8 2HG MET 1 1HG MET 1 -6.823 -13.433 -22.257 9 1HE MET 1 1HE MET 1 -4.071 -12.943 -20.798 10 2HE MET 1 2HE MET 1 -3.411 -11.607 -21.739 11 3HE MET 1 3HE MET 1 -4.246 -12.925 -22.557 12 H GLU 2 H GLU 2 -6.722 -11.002 -18.729 13 HA GLU 2 HA GLU 2 -5.640 -9.027 -18.503 14 1HB GLU 2 2HB GLU 2 -6.047 -8.775 -20.937 15 2HB GLU 2 1HB GLU 2 -7.570 -7.980 -20.583 16 1HG GLU 2 2HG GLU 2 -5.301 -6.729 -19.260 17 2HG GLU 2 1HG GLU 2 -5.160 -6.751 -21.018 18 H SER 3 H SER 3 -8.597 -7.279 -19.252 19 HA SER 3 HA SER 3 -9.752 -5.753 -18.008 20 1HB SER 3 2HB SER 3 -9.781 -8.091 -16.081 21 2HB SER 3 1HB SER 3 -10.901 -6.731 -16.059 22 HG SER 3 HG SER 3 -10.975 -7.614 -18.505 23 H ARG 4 H ARG 4 -7.149 -5.067 -17.814 24 HA ARG 4 HA ARG 4 -6.471 -4.863 -14.960 25 1HB ARG 4 2HB ARG 4 -4.844 -4.361 -17.457 26 2HB ARG 4 1HB ARG 4 -4.244 -4.106 -15.826 27 1HG ARG 4 2HG ARG 4 -4.567 -6.478 -15.336 28 2HG ARG 4 1HG ARG 4 -5.173 -6.728 -16.974 29 1HD ARG 4 2HD ARG 4 -2.835 -7.394 -16.790 30 2HD ARG 4 1HD ARG 4 -3.022 -6.026 -17.886 31 HE ARG 4 HE ARG 4 -2.463 -5.026 -15.333 32 1HH1 ARG 4 1HH1 ARG 4 -0.878 -6.899 -17.842 33 2HH1 ARG 4 2HH1 ARG 4 0.714 -6.328 -17.440 34 1HH2 ARG 4 1HH2 ARG 4 -0.365 -4.277 -14.802 35 2HH2 ARG 4 2HH2 ARG 4 1.006 -4.826 -15.722 36 H LEU 5 H LEU 5 -8.568 -3.258 -16.219 37 HA LEU 5 HA LEU 5 -7.549 -0.619 -16.631 38 1HB LEU 5 2HB LEU 5 -10.342 -1.693 -16.317 39 2HB LEU 5 1HB LEU 5 -10.012 0.016 -16.513 40 HG LEU 5 HG LEU 5 -8.835 -0.607 -18.689 41 1HD1 LEU 5 1HD1 LEU 5 -9.511 -2.685 -19.746 42 2HD1 LEU 5 2HD1 LEU 5 -10.366 -3.170 -18.282 43 3HD1 LEU 5 3HD1 LEU 5 -8.611 -3.002 -18.264 44 1HD2 LEU 5 1HD2 LEU 5 -10.946 -0.692 -19.924 45 2HD2 LEU 5 2HD2 LEU 5 -10.990 0.497 -18.623 46 3HD2 LEU 5 3HD2 LEU 5 -11.803 -1.056 -18.424 47 H LEU 6 H LEU 6 -9.680 -1.964 -14.097 48 HA LEU 6 HA LEU 6 -10.043 -1.376 -11.927 49 1HB LEU 6 2HB LEU 6 -7.204 -0.362 -12.115 50 2HB LEU 6 1HB LEU 6 -8.084 -0.648 -10.627 51 HG LEU 6 HG LEU 6 -7.336 -2.770 -12.640 52 1HD1 LEU 6 1HD1 LEU 6 -5.766 -3.537 -10.941 53 2HD1 LEU 6 2HD1 LEU 6 -6.196 -2.167 -9.917 54 3HD1 LEU 6 3HD1 LEU 6 -5.392 -1.894 -11.462 55 1HD2 LEU 6 1HD2 LEU 6 -8.087 -4.344 -10.923 56 2HD2 LEU 6 2HD2 LEU 6 -9.402 -3.299 -11.464 57 3HD2 LEU 6 3HD2 LEU 6 -8.613 -2.997 -9.916 58 H ASP 7 H ASP 7 -11.079 0.371 -13.716 59 HA ASP 7 HA ASP 7 -10.180 3.068 -13.345 60 1HB ASP 7 2HB ASP 7 -11.168 2.220 -15.469 61 2HB ASP 7 1HB ASP 7 -12.716 2.052 -14.649 62 H ILE 8 H ILE 8 -12.343 1.025 -11.664 63 HA ILE 8 HA ILE 8 -14.089 3.155 -10.774 64 HB ILE 8 HB ILE 8 -15.246 1.411 -9.476 65 1HG1 ILE 8 2HG1 ILE 8 -13.207 -0.475 -10.688 66 2HG1 ILE 8 1HG1 ILE 8 -13.241 0.011 -8.996 67 1HG2 ILE 8 1HG2 ILE 8 -15.904 1.853 -11.764 68 2HG2 ILE 8 2HG2 ILE 8 -16.076 0.138 -11.395 69 3HG2 ILE 8 3HG2 ILE 8 -14.706 0.701 -12.349 70 1HD1 ILE 8 1HD1 ILE 8 -15.409 -1.042 -8.715 71 2HD1 ILE 8 2HD1 ILE 8 -14.233 -2.200 -9.345 72 3HD1 ILE 8 3HD1 ILE 8 -15.430 -1.481 -10.424 73 H LEU 9 H LEU 9 -11.075 2.173 -9.811 74 HA LEU 9 HA LEU 9 -11.586 3.054 -7.047 75 1HB LEU 9 2HB LEU 9 -9.615 1.024 -8.078 76 2HB LEU 9 1HB LEU 9 -9.463 1.760 -6.495 77 HG LEU 9 HG LEU 9 -11.841 0.144 -7.413 78 1HD1 LEU 9 1HD1 LEU 9 -9.527 -0.606 -5.634 79 2HD1 LEU 9 2HD1 LEU 9 -9.879 -1.261 -7.235 80 3HD1 LEU 9 3HD1 LEU 9 -10.974 -1.581 -5.891 81 1HD2 LEU 9 1HD2 LEU 9 -12.397 1.804 -5.708 82 2HD2 LEU 9 2HD2 LEU 9 -11.083 1.218 -4.691 83 3HD2 LEU 9 3HD2 LEU 9 -12.462 0.176 -5.039 84 H VAL 10 H VAL 10 -10.836 5.019 -6.703 85 HA VAL 10 HA VAL 10 -8.327 5.807 -8.010 86 HB VAL 10 HB VAL 10 -9.188 8.137 -8.141 87 1HG1 VAL 10 1HG1 VAL 10 -10.566 7.767 -10.135 88 2HG1 VAL 10 2HG1 VAL 10 -10.753 6.072 -9.685 89 3HG1 VAL 10 3HG1 VAL 10 -9.160 6.700 -10.106 90 1HG2 VAL 10 1HG2 VAL 10 -11.831 6.845 -7.470 91 2HG2 VAL 10 2HG2 VAL 10 -11.619 8.502 -8.044 92 3HG2 VAL 10 3HG2 VAL 10 -10.955 8.017 -6.482 93 H CYS 11 H CYS 11 -6.934 7.039 -6.876 94 HA CYS 11 HA CYS 11 -6.942 6.967 -4.058 95 1HB CYS 11 2HB CYS 11 -4.850 7.027 -5.205 96 2HB CYS 11 1HB CYS 11 -5.292 8.486 -6.081 97 HG CYS 11 HG CYS 11 -3.269 8.610 -3.854 98 HA PRO 12 HA PRO 12 -9.483 10.482 -3.124 99 1HB PRO 12 2HB PRO 12 -8.532 11.011 -0.616 100 2HB PRO 12 1HB PRO 12 -9.669 9.710 -0.982 101 1HG PRO 12 2HG PRO 12 -6.708 9.586 -0.586 102 2HG PRO 12 1HG PRO 12 -7.964 8.474 -0.012 103 1HD PRO 12 2HD PRO 12 -6.424 7.930 -2.168 104 2HD PRO 12 1HD PRO 12 -8.113 7.396 -2.049 105 H VAL 13 H VAL 13 -5.987 10.627 -2.795 106 HA VAL 13 HA VAL 13 -6.044 13.543 -2.689 107 HB VAL 13 HB VAL 13 -3.689 11.658 -2.514 108 1HG1 VAL 13 1HG1 VAL 13 -2.450 13.622 -1.700 109 2HG1 VAL 13 2HG1 VAL 13 -3.859 14.630 -2.030 110 3HG1 VAL 13 3HG1 VAL 13 -3.019 13.829 -3.357 111 1HG2 VAL 13 1HG2 VAL 13 -3.692 12.244 -0.117 112 2HG2 VAL 13 2HG2 VAL 13 -5.160 11.400 -0.610 113 3HG2 VAL 13 3HG2 VAL 13 -5.192 13.145 -0.360 114 H CYS 14 H CYS 14 -4.096 11.166 -4.506 115 HA CYS 14 HA CYS 14 -3.482 13.165 -6.483 116 1HB CYS 14 2HB CYS 14 -2.741 10.235 -6.400 117 2HB CYS 14 1HB CYS 14 -2.027 11.457 -7.450 118 HG CYS 14 HG CYS 14 -1.489 10.859 -4.164 119 H LYS 15 H LYS 15 -6.055 11.133 -6.064 120 HA LYS 15 HA LYS 15 -7.692 10.247 -7.349 121 1HB LYS 15 2HB LYS 15 -6.893 12.533 -9.157 122 2HB LYS 15 1HB LYS 15 -8.388 11.618 -9.292 123 1HG LYS 15 2HG LYS 15 -7.548 13.330 -6.964 124 2HG LYS 15 1HG LYS 15 -8.779 13.712 -8.163 125 1HD LYS 15 2HD LYS 15 -8.867 11.393 -6.238 126 2HD LYS 15 1HD LYS 15 -9.756 12.905 -6.059 127 1HE LYS 15 2HE LYS 15 -10.058 11.017 -8.386 128 2HE LYS 15 1HE LYS 15 -11.106 11.020 -6.970 129 1HZ LYS 15 1HZ LYS 15 -10.772 13.219 -8.946 130 2HZ LYS 15 2HZ LYS 15 -11.651 13.364 -7.502 131 3HZ LYS 15 3HZ LYS 15 -12.151 12.262 -8.695 132 H GLY 16 H GLY 16 -5.020 9.149 -7.743 133 1HA GLY 16 2HA GLY 16 -5.086 8.318 -10.546 134 2HA GLY 16 1HA GLY 16 -3.822 7.940 -9.380 135 H ARG 17 H ARG 17 -4.953 5.981 -11.038 136 HA ARG 17 HA ARG 17 -7.110 4.637 -9.794 137 1HB ARG 17 2HB ARG 17 -5.091 3.800 -11.850 138 2HB ARG 17 1HB ARG 17 -6.305 2.684 -11.241 139 1HG ARG 17 2HG ARG 17 -8.070 4.186 -12.007 140 2HG ARG 17 1HG ARG 17 -6.851 5.307 -12.617 141 1HD ARG 17 2HD ARG 17 -6.060 3.667 -14.188 142 2HD ARG 17 1HD ARG 17 -7.136 2.445 -13.510 143 HE ARG 17 HE ARG 17 -8.922 4.227 -14.256 144 1HH1 ARG 17 1HH1 ARG 17 -6.051 3.210 -15.973 145 2HH1 ARG 17 2HH1 ARG 17 -6.762 3.423 -17.543 146 1HH2 ARG 17 1HH2 ARG 17 -9.871 4.510 -16.312 147 2HH2 ARG 17 2HH2 ARG 17 -8.923 4.171 -17.743 148 H LEU 18 H LEU 18 -7.201 2.961 -8.424 149 HA LEU 18 HA LEU 18 -4.762 2.333 -6.930 150 1HB LEU 18 2HB LEU 18 -7.629 1.635 -6.296 151 2HB LEU 18 1HB LEU 18 -6.252 1.437 -5.232 152 HG LEU 18 HG LEU 18 -7.403 4.063 -6.171 153 1HD1 LEU 18 1HD1 LEU 18 -8.009 4.349 -3.811 154 2HD1 LEU 18 2HD1 LEU 18 -7.425 2.721 -3.473 155 3HD1 LEU 18 3HD1 LEU 18 -8.810 2.955 -4.538 156 1HD2 LEU 18 1HD2 LEU 18 -4.988 4.208 -5.904 157 2HD2 LEU 18 2HD2 LEU 18 -5.109 3.496 -4.296 158 3HD2 LEU 18 3HD2 LEU 18 -5.812 5.084 -4.613 159 H GLU 19 H GLU 19 -3.979 0.245 -6.741 160 HA GLU 19 HA GLU 19 -5.285 -1.736 -8.468 161 1HB GLU 19 2HB GLU 19 -2.988 -2.624 -8.917 162 2HB GLU 19 1HB GLU 19 -3.321 -1.052 -9.618 163 1HG GLU 19 2HG GLU 19 -2.066 0.022 -7.836 164 2HG GLU 19 1HG GLU 19 -1.776 -1.546 -7.082 165 H PHE 20 H PHE 20 -5.622 -3.697 -7.653 166 HA PHE 20 HA PHE 20 -5.109 -4.101 -4.836 167 1HB PHE 20 2HB PHE 20 -7.308 -4.680 -5.843 168 2HB PHE 20 1HB PHE 20 -6.510 -5.906 -6.823 169 HD1 PHE 20 1HD PHE 20 -7.400 -4.943 -3.370 170 HD2 PHE 20 2HD PHE 20 -5.991 -8.039 -5.934 171 HE1 PHE 20 1HE PHE 20 -7.720 -6.582 -1.564 172 HE2 PHE 20 2HE PHE 20 -6.298 -9.680 -4.126 173 HZ PHE 20 HZ PHE 20 -7.166 -8.953 -1.939 174 H GLN 21 H GLN 21 -3.111 -4.733 -4.326 175 HA GLN 21 HA GLN 21 -1.794 -6.734 -6.009 176 1HB GLN 21 2HB GLN 21 -0.785 -4.809 -3.927 177 2HB GLN 21 1HB GLN 21 0.195 -6.150 -4.490 178 1HG GLN 21 2HG GLN 21 -0.047 -5.293 -6.806 179 2HG GLN 21 1HG GLN 21 -0.878 -3.885 -6.142 180 1HE2 GLN 21 1HE2 GLN 21 0.735 -2.540 -6.969 181 2HE2 GLN 21 2HE2 GLN 21 2.281 -2.418 -6.201 182 H ARG 22 H ARG 22 -1.252 -8.728 -5.249 183 HA ARG 22 HA ARG 22 -2.586 -9.482 -2.778 184 1HB ARG 22 2HB ARG 22 -2.901 -10.781 -4.911 185 2HB ARG 22 1HB ARG 22 -1.224 -11.292 -4.774 186 1HG ARG 22 2HG ARG 22 -1.696 -12.399 -2.680 187 2HG ARG 22 1HG ARG 22 -3.362 -11.824 -2.728 188 1HD ARG 22 2HD ARG 22 -3.701 -13.071 -4.826 189 2HD ARG 22 1HD ARG 22 -2.055 -13.687 -4.702 190 HE ARG 22 HE ARG 22 -3.419 -14.292 -2.322 191 1HH1 ARG 22 1HH1 ARG 22 -3.428 -15.159 -5.716 192 2HH1 ARG 22 2HH1 ARG 22 -4.034 -16.768 -5.437 193 1HH2 ARG 22 1HH2 ARG 22 -4.228 -16.408 -1.947 194 2HH2 ARG 22 2HH2 ARG 22 -4.493 -17.472 -3.292 195 H ALA 23 H ALA 23 -0.827 -8.102 -1.762 196 HA ALA 23 HA ALA 23 1.449 -9.822 -1.045 197 1HB ALA 23 1HB ALA 23 2.344 -7.858 0.114 198 2HB ALA 23 2HB ALA 23 0.896 -6.942 -0.299 199 3HB ALA 23 3HB ALA 23 1.996 -7.475 -1.572 200 H GLN 24 H GLN 24 -0.858 -7.658 0.553 201 HA GLN 24 HA GLN 24 -1.479 -9.850 2.425 202 1HB GLN 24 2HB GLN 24 -0.512 -7.693 3.405 203 2HB GLN 24 1HB GLN 24 -1.989 -6.900 2.891 204 1HG GLN 24 2HG GLN 24 -2.158 -9.322 4.620 205 2HG GLN 24 1HG GLN 24 -1.718 -7.773 5.334 206 1HE2 GLN 24 1HE2 GLN 24 -4.237 -9.630 3.820 207 2HE2 GLN 24 2HE2 GLN 24 -5.529 -8.547 4.194 208 H ALA 25 H ALA 25 -2.782 -6.997 0.806 209 HA ALA 25 HA ALA 25 -4.817 -7.944 -0.684 210 1HB ALA 25 1HB ALA 25 -5.774 -9.076 1.282 211 2HB ALA 25 2HB ALA 25 -6.859 -7.827 0.668 212 3HB ALA 25 3HB ALA 25 -5.894 -7.525 2.113 213 H GLU 26 H GLU 26 -3.094 -5.701 -0.522 214 HA GLU 26 HA GLU 26 -4.838 -3.496 0.332 215 1HB GLU 26 2HB GLU 26 -2.739 -2.147 0.418 216 2HB GLU 26 1HB GLU 26 -2.805 -3.482 1.558 217 1HG GLU 26 2HG GLU 26 -1.458 -3.848 -1.082 218 2HG GLU 26 1HG GLU 26 -0.627 -3.000 0.221 219 H LEU 27 H LEU 27 -5.312 -1.798 -0.913 220 HA LEU 27 HA LEU 27 -4.768 -1.941 -3.756 221 1HB LEU 27 2HB LEU 27 -6.147 0.250 -2.212 222 2HB LEU 27 1HB LEU 27 -6.203 -0.003 -3.938 223 HG LEU 27 HG LEU 27 -7.374 -1.898 -1.903 224 1HD1 LEU 27 1HD1 LEU 27 -8.570 0.220 -1.901 225 2HD1 LEU 27 2HD1 LEU 27 -9.542 -1.046 -2.647 226 3HD1 LEU 27 3HD1 LEU 27 -8.724 0.145 -3.655 227 1HD2 LEU 27 1HD2 LEU 27 -6.711 -2.986 -3.983 228 2HD2 LEU 27 2HD2 LEU 27 -7.620 -1.785 -4.905 229 3HD2 LEU 27 3HD2 LEU 27 -8.468 -2.907 -3.840 230 H VAL 28 H VAL 28 -2.756 -1.378 -4.313 231 HA VAL 28 HA VAL 28 -1.240 0.459 -2.689 232 HB VAL 28 HB VAL 28 -0.493 -1.044 -5.197 233 1HG1 VAL 28 1HG1 VAL 28 1.827 -0.445 -4.675 234 2HG1 VAL 28 2HG1 VAL 28 1.271 0.547 -3.330 235 3HG1 VAL 28 3HG1 VAL 28 0.855 0.994 -4.984 236 1HG2 VAL 28 1HG2 VAL 28 0.188 -1.522 -2.295 237 2HG2 VAL 28 2HG2 VAL 28 0.793 -2.459 -3.662 238 3HG2 VAL 28 3HG2 VAL 28 -0.927 -2.480 -3.271 239 H CYS 29 H CYS 29 -0.927 2.516 -3.018 240 HA CYS 29 HA CYS 29 -1.872 3.764 -5.495 241 1HB CYS 29 2HB CYS 29 -0.921 5.185 -3.005 242 2HB CYS 29 1HB CYS 29 -1.968 5.804 -4.277 243 HG CYS 29 HG CYS 29 -3.302 3.147 -2.809 244 H ASN 30 H ASN 30 -0.280 3.709 -6.996 245 HA ASN 30 HA ASN 30 2.450 3.447 -6.401 246 1HB ASN 30 2HB ASN 30 1.154 4.381 -8.970 247 2HB ASN 30 1HB ASN 30 2.840 3.905 -8.804 248 1HD2 ASN 30 1HD2 ASN 30 -0.420 2.837 -9.059 249 2HD2 ASN 30 2HD2 ASN 30 -0.085 1.141 -9.173 250 H ALA 31 H ALA 31 0.477 6.300 -6.926 251 HA ALA 31 HA ALA 31 2.722 8.055 -7.266 252 1HB ALA 31 1HB ALA 31 1.088 9.850 -7.238 253 2HB ALA 31 2HB ALA 31 -0.154 8.736 -6.665 254 3HB ALA 31 3HB ALA 31 0.536 8.532 -8.274 255 H ASP 32 H ASP 32 0.415 7.430 -4.653 256 HA ASP 32 HA ASP 32 1.648 9.311 -2.869 257 1HB ASP 32 2HB ASP 32 -0.393 7.167 -2.235 258 2HB ASP 32 1HB ASP 32 -0.013 8.581 -1.259 259 H ARG 33 H ARG 33 2.265 6.112 -3.734 260 HA ARG 33 HA ARG 33 3.422 4.373 -2.884 261 1HB ARG 33 2HB ARG 33 4.795 6.576 -1.336 262 2HB ARG 33 1HB ARG 33 5.331 4.899 -1.342 263 1HG ARG 33 2HG ARG 33 5.282 5.250 -3.955 264 2HG ARG 33 1HG ARG 33 5.467 6.944 -3.495 265 1HD ARG 33 2HD ARG 33 7.268 4.687 -2.624 266 2HD ARG 33 1HD ARG 33 7.626 5.829 -3.916 267 HE ARG 33 HE ARG 33 7.085 7.265 -1.566 268 1HH1 ARG 33 1HH1 ARG 33 9.523 5.123 -2.890 269 2HH1 ARG 33 2HH1 ARG 33 10.818 5.805 -1.961 270 1HH2 ARG 33 1HH2 ARG 33 8.775 8.177 -0.355 271 2HH2 ARG 33 2HH2 ARG 33 10.400 7.568 -0.530 272 H LEU 34 H LEU 34 0.951 4.784 -1.849 273 HA LEU 34 HA LEU 34 1.260 3.786 0.904 274 1HB LEU 34 2HB LEU 34 -0.994 5.425 -0.263 275 2HB LEU 34 1HB LEU 34 -1.044 4.663 1.314 276 HG LEU 34 HG LEU 34 0.927 6.794 0.498 277 1HD1 LEU 34 1HD1 LEU 34 -1.372 7.645 0.615 278 2HD1 LEU 34 2HD1 LEU 34 -0.362 8.292 1.909 279 3HD1 LEU 34 3HD1 LEU 34 -1.514 7.003 2.252 280 1HD2 LEU 34 1HD2 LEU 34 1.815 5.322 2.206 281 2HD2 LEU 34 2HD2 LEU 34 0.346 5.510 3.162 282 3HD2 LEU 34 3HD2 LEU 34 1.416 6.888 2.910 283 H ALA 35 H ALA 35 -0.890 2.537 1.485 284 HA ALA 35 HA ALA 35 -2.015 1.076 -0.750 285 1HB ALA 35 1HB ALA 35 -1.284 -1.097 -0.011 286 2HB ALA 35 2HB ALA 35 -0.422 -0.384 1.351 287 3HB ALA 35 3HB ALA 35 0.123 -0.074 -0.297 288 H PHE 36 H PHE 36 -4.089 0.740 -0.326 289 HA PHE 36 HA PHE 36 -5.037 0.924 2.440 290 1HB PHE 36 2HB PHE 36 -6.527 0.975 -0.193 291 2HB PHE 36 1HB PHE 36 -7.291 1.119 1.384 292 HD1 PHE 36 2HD PHE 36 -6.419 3.053 2.893 293 HD2 PHE 36 1HD PHE 36 -5.881 2.875 -1.323 294 HE1 PHE 36 2HE PHE 36 -6.067 5.486 2.841 295 HE2 PHE 36 1HE PHE 36 -5.531 5.312 -1.385 296 HZ PHE 36 HZ PHE 36 -5.627 6.622 0.701 297 HA PRO 37 HA PRO 37 -5.111 -3.573 2.078 298 1HB PRO 37 2HB PRO 37 -5.374 -3.659 4.953 299 2HB PRO 37 1HB PRO 37 -3.978 -4.094 3.964 300 1HG PRO 37 2HG PRO 37 -4.039 -1.930 5.641 301 2HG PRO 37 1HG PRO 37 -3.009 -2.036 4.205 302 1HD PRO 37 2HD PRO 37 -5.619 -0.617 4.569 303 2HD PRO 37 1HD PRO 37 -4.163 -0.100 3.690 304 H VAL 38 H VAL 38 -6.821 -4.858 1.787 305 HA VAL 38 HA VAL 38 -9.413 -4.077 2.830 306 HB VAL 38 HB VAL 38 -8.659 -6.428 1.081 307 1HG1 VAL 38 1HG1 VAL 38 -11.371 -5.293 1.777 308 2HG1 VAL 38 2HG1 VAL 38 -10.720 -6.840 2.324 309 3HG1 VAL 38 3HG1 VAL 38 -11.065 -6.582 0.613 310 1HG2 VAL 38 1HG2 VAL 38 -8.239 -4.298 -0.030 311 2HG2 VAL 38 2HG2 VAL 38 -9.874 -3.757 0.361 312 3HG2 VAL 38 3HG2 VAL 38 -9.635 -5.111 -0.745 313 H ARG 39 H ARG 39 -10.100 -4.718 4.723 314 HA ARG 39 HA ARG 39 -8.984 -7.147 5.933 315 1HB ARG 39 2HB ARG 39 -8.736 -5.156 7.286 316 2HB ARG 39 1HB ARG 39 -10.445 -4.785 7.131 317 1HG ARG 39 2HG ARG 39 -10.981 -6.811 8.416 318 2HG ARG 39 1HG ARG 39 -9.253 -7.128 8.600 319 1HD ARG 39 2HD ARG 39 -8.937 -5.139 9.859 320 2HD ARG 39 1HD ARG 39 -10.559 -4.566 9.478 321 HE ARG 39 HE ARG 39 -10.376 -7.064 10.966 322 1HH1 ARG 39 1HH1 ARG 39 -10.831 -3.595 11.025 323 2HH1 ARG 39 2HH1 ARG 39 -11.632 -3.587 12.563 324 1HH2 ARG 39 1HH2 ARG 39 -11.446 -7.063 13.003 325 2HH2 ARG 39 2HH2 ARG 39 -11.989 -5.560 13.690 326 H ASP 40 H ASP 40 -10.205 -8.671 4.879 327 HA ASP 40 HA ASP 40 -11.978 -9.964 4.309 328 1HB ASP 40 2HB ASP 40 -11.636 -10.389 6.770 329 2HB ASP 40 1HB ASP 40 -12.976 -9.289 7.076 330 H GLY 41 H GLY 41 -12.592 -8.169 2.807 331 1HA GLY 41 2HA GLY 41 -14.537 -7.509 1.679 332 2HA GLY 41 1HA GLY 41 -15.440 -7.705 3.172 333 H VAL 42 H VAL 42 -13.401 -6.042 4.634 334 HA VAL 42 HA VAL 42 -14.537 -3.461 3.807 335 HB VAL 42 HB VAL 42 -13.220 -4.167 6.438 336 1HG1 VAL 42 1HG1 VAL 42 -14.221 -2.069 7.231 337 2HG1 VAL 42 2HG1 VAL 42 -14.810 -1.743 5.601 338 3HG1 VAL 42 3HG1 VAL 42 -13.075 -1.796 5.917 339 1HG2 VAL 42 1HG2 VAL 42 -15.257 -5.435 6.208 340 2HG2 VAL 42 2HG2 VAL 42 -16.137 -3.999 5.695 341 3HG2 VAL 42 3HG2 VAL 42 -15.531 -4.115 7.346 342 HA PRO 43 HA PRO 43 -10.276 -2.569 2.455 343 1HB PRO 43 2HB PRO 43 -11.552 -0.299 1.118 344 2HB PRO 43 1HB PRO 43 -10.638 -1.635 0.414 345 1HG PRO 43 2HG PRO 43 -13.307 -1.371 0.076 346 2HG PRO 43 1HG PRO 43 -12.502 -2.950 0.147 347 1HD PRO 43 2HD PRO 43 -14.039 -1.507 2.280 348 2HD PRO 43 1HD PRO 43 -14.060 -3.231 1.847 349 H ILE 44 H ILE 44 -9.084 -1.605 3.982 350 HA ILE 44 HA ILE 44 -10.189 0.436 5.659 351 HB ILE 44 HB ILE 44 -7.349 -0.583 5.516 352 1HG1 ILE 44 2HG1 ILE 44 -8.901 -2.380 6.064 353 2HG1 ILE 44 1HG1 ILE 44 -7.975 -1.933 7.494 354 1HG2 ILE 44 1HG2 ILE 44 -8.740 0.996 7.674 355 2HG2 ILE 44 2HG2 ILE 44 -7.504 1.610 6.576 356 3HG2 ILE 44 3HG2 ILE 44 -7.096 0.362 7.750 357 1HD1 ILE 44 1HD1 ILE 44 -10.318 -2.337 8.019 358 2HD1 ILE 44 2HD1 ILE 44 -10.795 -1.066 6.891 359 3HD1 ILE 44 3HD1 ILE 44 -9.867 -0.662 8.335 360 H MET 45 H MET 45 -10.669 2.124 4.289 361 HA MET 45 HA MET 45 -8.560 3.431 2.792 362 1HB MET 45 2HB MET 45 -11.459 4.163 3.250 363 2HB MET 45 1HB MET 45 -10.365 5.044 2.195 364 1HG MET 45 2HG MET 45 -11.102 2.147 1.849 365 2HG MET 45 1HG MET 45 -11.881 3.484 1.010 366 1HE MET 45 1HE MET 45 -10.615 5.073 -0.739 367 2HE MET 45 2HE MET 45 -8.908 4.896 -1.147 368 3HE MET 45 3HE MET 45 -9.376 5.420 0.468 369 H LEU 46 H LEU 46 -8.656 3.212 5.819 370 HA LEU 46 HA LEU 46 -8.890 5.948 6.706 371 1HB LEU 46 2HB LEU 46 -7.895 3.467 8.118 372 2HB LEU 46 1HB LEU 46 -8.109 5.034 8.879 373 HG LEU 46 HG LEU 46 -10.338 3.427 7.624 374 1HD1 LEU 46 1HD1 LEU 46 -9.428 2.312 9.598 375 2HD1 LEU 46 2HD1 LEU 46 -11.042 2.952 9.901 376 3HD1 LEU 46 3HD1 LEU 46 -9.627 3.797 10.527 377 1HD2 LEU 46 1HD2 LEU 46 -10.732 5.836 7.614 378 2HD2 LEU 46 2HD2 LEU 46 -10.379 5.907 9.339 379 3HD2 LEU 46 3HD2 LEU 46 -11.793 5.026 8.764 380 H GLU 47 H GLU 47 -7.329 7.394 6.579 381 HA GLU 47 HA GLU 47 -4.985 6.814 5.134 382 1HB GLU 47 2HB GLU 47 -6.306 8.983 5.238 383 2HB GLU 47 1HB GLU 47 -5.483 9.299 6.757 384 1HG GLU 47 2HG GLU 47 -3.326 9.199 5.594 385 2HG GLU 47 1HG GLU 47 -4.175 8.928 4.073 386 H ALA 48 H ALA 48 -5.619 6.927 8.558 387 HA ALA 48 HA ALA 48 -2.759 7.051 9.157 388 1HB ALA 48 1HB ALA 48 -3.396 7.363 11.462 389 2HB ALA 48 2HB ALA 48 -5.086 7.037 11.068 390 3HB ALA 48 3HB ALA 48 -4.294 8.482 10.435 391 H GLU 49 H GLU 49 -4.876 4.671 8.369 392 HA GLU 49 HA GLU 49 -3.317 2.715 9.927 393 1HB GLU 49 2HB GLU 49 -6.250 2.599 9.220 394 2HB GLU 49 1HB GLU 49 -5.337 1.197 9.764 395 1HG GLU 49 2HG GLU 49 -4.766 2.479 11.830 396 2HG GLU 49 1HG GLU 49 -5.894 3.723 11.290 397 H ALA 50 H ALA 50 -3.599 3.982 7.024 398 HA ALA 50 HA ALA 50 -3.720 1.622 5.391 399 1HB ALA 50 1HB ALA 50 -2.824 4.423 4.716 400 2HB ALA 50 2HB ALA 50 -4.451 3.770 4.495 401 3HB ALA 50 3HB ALA 50 -3.104 3.125 3.555 402 H ARG 51 H ARG 51 -2.015 0.549 4.415 403 HA ARG 51 HA ARG 51 0.475 0.551 5.811 404 1HB ARG 51 2HB ARG 51 -0.378 -1.510 4.840 405 2HB ARG 51 1HB ARG 51 -0.379 -0.795 3.236 406 1HG ARG 51 2HG ARG 51 2.075 -0.600 3.355 407 2HG ARG 51 1HG ARG 51 2.039 -1.400 4.923 408 1HD ARG 51 2HD ARG 51 1.116 -3.401 3.919 409 2HD ARG 51 1HD ARG 51 1.011 -2.598 2.352 410 HE ARG 51 HE ARG 51 3.678 -2.554 3.362 411 1HH1 ARG 51 1HH1 ARG 51 1.332 -4.708 1.845 412 2HH1 ARG 51 2HH1 ARG 51 2.564 -5.669 1.083 413 1HH2 ARG 51 1HH2 ARG 51 5.258 -3.799 2.358 414 2HH2 ARG 51 2HH2 ARG 51 4.797 -5.153 1.366 415 H SER 52 H SER 52 2.293 1.681 5.365 416 HA SER 52 HA SER 52 2.242 3.331 2.958 417 1HB SER 52 2HB SER 52 2.490 4.608 4.909 418 2HB SER 52 1HB SER 52 3.778 3.586 5.520 419 HG SER 52 HG SER 52 4.053 5.772 4.153 420 H LEU 53 H LEU 53 3.776 3.362 1.530 421 HA LEU 53 HA LEU 53 5.876 1.297 1.703 422 1HB LEU 53 2HB LEU 53 4.625 2.547 -0.753 423 2HB LEU 53 1HB LEU 53 5.944 1.393 -0.773 424 HG LEU 53 HG LEU 53 3.148 0.842 0.223 425 1HD1 LEU 53 1HD1 LEU 53 3.265 1.101 -2.201 426 2HD1 LEU 53 2HD1 LEU 53 2.957 -0.575 -1.752 427 3HD1 LEU 53 3HD1 LEU 53 4.568 -0.083 -2.272 428 1HD2 LEU 53 1HD2 LEU 53 4.836 -0.448 1.439 429 2HD2 LEU 53 2HD2 LEU 53 5.515 -1.010 -0.089 430 3HD2 LEU 53 3HD2 LEU 53 3.881 -1.484 0.378 431 H ASP 54 H ASP 54 5.180 4.549 1.766 432 HA ASP 54 HA ASP 54 7.671 5.561 0.739 433 1HB ASP 54 2HB ASP 54 5.523 6.879 0.821 434 2HB ASP 54 1HB ASP 54 5.677 6.932 2.572 435 H ALA 55 H ALA 55 6.374 4.434 3.745 436 HA ALA 55 HA ALA 55 8.795 5.194 5.199 437 1HB ALA 55 1HB ALA 55 6.279 3.889 6.212 438 2HB ALA 55 2HB ALA 55 6.594 5.622 6.206 439 3HB ALA 55 3HB ALA 55 7.589 4.552 7.193 440 H GLU 56 H GLU 56 7.596 2.582 3.448 441 HA GLU 56 HA GLU 56 8.881 0.554 5.102 442 1HB GLU 56 2HB GLU 56 6.623 0.398 3.643 443 2HB GLU 56 1HB GLU 56 7.776 -0.156 2.433 444 1HG GLU 56 2HG GLU 56 8.589 -1.835 4.101 445 2HG GLU 56 1HG GLU 56 7.256 -1.352 5.145 446 H ALA 57 H ALA 57 9.668 -1.149 2.920 447 HA ALA 57 HA ALA 57 11.511 -1.691 1.726 448 1HB ALA 57 1HB ALA 57 12.689 -0.011 0.428 449 2HB ALA 57 2HB ALA 57 11.891 1.278 1.330 450 3HB ALA 57 3HB ALA 57 10.945 0.217 0.288 451 HA PRO 58 HA PRO 58 14.883 -1.796 4.528 452 1HB PRO 58 2HB PRO 58 16.802 -1.107 2.378 453 2HB PRO 58 1HB PRO 58 16.759 -2.516 3.443 454 1HG PRO 58 2HG PRO 58 16.054 -2.715 0.879 455 2HG PRO 58 1HG PRO 58 15.198 -3.618 2.140 456 1HD PRO 58 2HD PRO 58 14.368 -1.137 0.689 457 2HD PRO 58 1HD PRO 58 13.388 -2.527 1.203 458 H ALA 59 H ALA 59 14.432 0.034 5.754 459 HA ALA 59 HA ALA 59 15.366 2.641 5.007 460 1HB ALA 59 1HB ALA 59 14.404 1.597 7.671 461 2HB ALA 59 2HB ALA 59 13.406 2.370 6.442 462 3HB ALA 59 3HB ALA 59 14.666 3.292 7.263 463 H GLN 60 H GLN 60 17.048 3.817 6.066 464 HA GLN 60 HA GLN 60 19.328 2.109 6.663 465 1HB GLN 60 2HB GLN 60 19.210 5.116 6.400 466 2HB GLN 60 1HB GLN 60 20.658 4.123 6.416 467 1HG GLN 60 2HG GLN 60 18.525 4.111 4.294 468 2HG GLN 60 1HG GLN 60 20.115 4.857 4.167 469 1HE2 GLN 60 1HE2 GLN 60 18.322 1.898 4.108 470 2HE2 GLN 60 2HE2 GLN 60 19.615 0.893 3.555 471 HA PRO 61 HA PRO 61 18.466 2.922 10.996 472 1HB PRO 61 2HB PRO 61 20.370 0.864 11.642 473 2HB PRO 61 1HB PRO 61 18.610 0.790 11.743 474 1HG PRO 61 2HG PRO 61 20.121 -0.660 9.963 475 2HG PRO 61 1HG PRO 61 18.419 -0.235 9.714 476 1HD PRO 61 2HD PRO 61 20.880 1.044 8.590 477 2HD PRO 61 1HD PRO 61 19.314 0.729 7.809 478 H SER 62 H SER 62 19.410 4.452 12.177 479 HA SER 62 HA SER 62 21.952 5.513 11.648 480 1HB SER 62 2HB SER 62 20.367 5.735 14.219 481 2HB SER 62 1HB SER 62 21.609 6.851 13.651 482 HG SER 62 HG SER 62 19.007 6.408 12.634 483 H LEU 63 H LEU 63 23.938 4.862 12.242 484 HA LEU 63 HA LEU 63 24.240 2.444 13.740 485 1HB LEU 63 2HB LEU 63 25.629 3.306 11.736 486 2HB LEU 63 1HB LEU 63 26.492 4.264 12.924 487 HG LEU 63 HG LEU 63 26.244 1.273 13.170 488 1HD1 LEU 63 1HD1 LEU 63 27.248 1.709 11.017 489 2HD1 LEU 63 2HD1 LEU 63 28.474 1.136 12.148 490 3HD1 LEU 63 3HD1 LEU 63 28.379 2.851 11.747 491 1HD2 LEU 63 1HD2 LEU 63 28.246 1.509 14.539 492 2HD2 LEU 63 2HD2 LEU 63 26.927 2.489 15.176 493 3HD2 LEU 63 3HD2 LEU 63 28.235 3.250 14.271 494 H GLU 64 H GLU 64 23.530 2.823 15.782 495 HA GLU 64 HA GLU 64 24.763 4.853 17.439 496 1HB GLU 64 2HB GLU 64 22.311 3.662 17.478 497 2HB GLU 64 1HB GLU 64 23.156 2.675 18.657 498 1HG GLU 64 2HG GLU 64 23.001 5.675 18.800 499 2HG GLU 64 1HG GLU 64 21.852 4.597 19.585 500 H HIS 65 H HIS 65 25.798 4.111 19.539 501 HA HIS 65 HA HIS 65 27.839 2.167 18.982 502 1HB HIS 65 2HB HIS 65 27.171 3.350 21.687 503 2HB HIS 65 1HB HIS 65 28.706 2.665 21.169 504 HD1 HIS 65 1HD HIS 65 30.014 4.124 19.276 505 HD2 HIS 65 2HD HIS 65 26.937 6.029 21.336 506 HE1 HIS 65 1HE HIS 65 30.368 6.590 18.910 507 HE2 HIS 65 2HE HIS 65 28.553 7.726 20.251 508 H HIS 66 H HIS 66 26.720 0.261 18.570 509 HA HIS 66 HA HIS 66 25.341 -0.940 20.870 510 1HB HIS 66 2HB HIS 66 24.319 -0.396 18.160 511 2HB HIS 66 1HB HIS 66 24.005 -2.022 18.755 512 HD1 HIS 66 1HD HIS 66 21.603 -1.948 19.348 513 HD2 HIS 66 2HD HIS 66 23.696 1.323 20.846 514 HE1 HIS 66 1HE HIS 66 19.974 -0.707 20.810 515 HE2 HIS 66 2HE HIS 66 21.323 1.139 21.868 516 H HIS 67 H HIS 67 24.918 -3.312 20.434 517 HA HIS 67 HA HIS 67 27.389 -4.633 19.807 518 1HB HIS 67 2HB HIS 67 25.361 -5.165 21.522 519 2HB HIS 67 1HB HIS 67 24.877 -6.182 20.172 520 HD1 HIS 67 1HD HIS 67 27.762 -5.688 22.576 521 HD2 HIS 67 2HD HIS 67 26.200 -8.557 20.005 522 HE1 HIS 67 1HE HIS 67 29.072 -7.788 23.023 523 HE2 HIS 67 2HE HIS 67 27.889 -9.563 21.674 524 H HIS 68 H HIS 68 27.923 -5.530 17.873 525 HA HIS 68 HA HIS 68 26.338 -4.847 15.615 526 1HB HIS 68 2HB HIS 68 28.916 -6.334 15.968 527 2HB HIS 68 1HB HIS 68 28.115 -6.321 14.402 528 HD1 HIS 68 1HD HIS 68 29.905 -4.086 16.824 529 HD2 HIS 68 2HD HIS 68 28.234 -3.899 13.018 530 HE1 HIS 68 1HE HIS 68 30.701 -1.913 15.838 531 HE2 HIS 68 2HE HIS 68 29.813 -1.894 13.479 532 H HIS 69 H HIS 69 26.582 -7.738 17.524 533 HA HIS 69 HA HIS 69 24.426 -8.836 15.869 534 1HB HIS 69 2HB HIS 69 25.277 -11.110 16.082 535 2HB HIS 69 1HB HIS 69 26.456 -10.092 15.271 536 HD1 HIS 69 1HD HIS 69 25.966 -12.230 18.255 537 HD2 HIS 69 2HD HIS 69 28.814 -9.574 16.786 538 HE1 HIS 69 1HE HIS 69 28.025 -12.598 19.654 539 HE2 HIS 69 2HE HIS 69 29.758 -11.032 18.706 540 H HIS 70 H HIS 70 23.517 -10.888 17.226 541 HA HIS 70 HA HIS 70 22.822 -9.725 19.812 542 1HB HIS 70 2HB HIS 70 21.652 -12.072 18.300 543 2HB HIS 70 1HB HIS 70 21.092 -11.534 19.881 544 HD1 HIS 70 1HD HIS 70 20.410 -11.127 16.384 545 HD2 HIS 70 2HD HIS 70 20.149 -8.698 19.750 546 HE1 HIS 70 1HE HIS 70 18.878 -9.241 15.740 547 HE2 HIS 70 2HE HIS 70 18.574 -7.901 17.852 Start of MODEL 8 1 1H MET 1 1H MET 1 -21.827 -3.618 -11.368 2 2H MET 1 2H MET 1 -21.093 -4.438 -12.659 3 3H MET 1 3H MET 1 -21.855 -2.951 -12.927 4 HA MET 1 HA MET 1 -19.485 -2.671 -12.914 5 1HB MET 1 2HB MET 1 -20.786 -1.548 -10.421 6 2HB MET 1 1HB MET 1 -19.296 -0.955 -11.140 7 1HG MET 1 2HG MET 1 -20.905 0.538 -11.877 8 2HG MET 1 1HG MET 1 -20.689 -0.554 -13.243 9 1HE MET 1 1HE MET 1 -24.287 -0.594 -10.354 10 2HE MET 1 2HE MET 1 -23.000 0.608 -10.340 11 3HE MET 1 3HE MET 1 -22.655 -1.051 -9.854 12 H GLU 2 H GLU 2 -20.002 -5.342 -11.613 13 HA GLU 2 HA GLU 2 -17.924 -5.195 -9.534 14 1HB GLU 2 2HB GLU 2 -20.135 -6.134 -8.836 15 2HB GLU 2 1HB GLU 2 -19.908 -7.429 -10.004 16 1HG GLU 2 2HG GLU 2 -17.955 -8.207 -8.822 17 2HG GLU 2 1HG GLU 2 -18.060 -6.853 -7.699 18 H SER 3 H SER 3 -16.030 -5.511 -10.457 19 HA SER 3 HA SER 3 -15.684 -7.022 -12.850 20 1HB SER 3 2HB SER 3 -14.273 -5.078 -12.341 21 2HB SER 3 1HB SER 3 -13.637 -5.897 -10.917 22 HG SER 3 HG SER 3 -13.373 -6.870 -13.583 23 H ARG 4 H ARG 4 -14.347 -8.854 -13.123 24 HA ARG 4 HA ARG 4 -14.238 -10.628 -10.773 25 1HB ARG 4 2HB ARG 4 -14.348 -11.292 -13.723 26 2HB ARG 4 1HB ARG 4 -14.153 -12.482 -12.441 27 1HG ARG 4 2HG ARG 4 -16.487 -10.619 -12.419 28 2HG ARG 4 1HG ARG 4 -16.498 -12.051 -13.448 29 1HD ARG 4 2HD ARG 4 -17.576 -12.398 -11.243 30 2HD ARG 4 1HD ARG 4 -16.232 -13.490 -11.550 31 HE ARG 4 HE ARG 4 -15.167 -11.362 -10.154 32 1HH1 ARG 4 1HH1 ARG 4 -17.726 -13.680 -9.583 33 2HH1 ARG 4 2HH1 ARG 4 -17.414 -13.797 -7.875 34 1HH2 ARG 4 1HH2 ARG 4 -14.742 -11.508 -7.929 35 2HH2 ARG 4 2HH2 ARG 4 -15.689 -12.580 -6.934 36 H LEU 5 H LEU 5 -12.368 -8.509 -11.955 37 HA LEU 5 HA LEU 5 -9.956 -10.201 -12.098 38 1HB LEU 5 2HB LEU 5 -10.501 -9.060 -14.230 39 2HB LEU 5 1HB LEU 5 -10.409 -7.515 -13.407 40 HG LEU 5 HG LEU 5 -8.014 -7.959 -12.924 41 1HD1 LEU 5 1HD1 LEU 5 -8.432 -10.349 -14.710 42 2HD1 LEU 5 2HD1 LEU 5 -8.074 -10.389 -12.983 43 3HD1 LEU 5 3HD1 LEU 5 -6.878 -9.758 -14.116 44 1HD2 LEU 5 1HD2 LEU 5 -8.805 -8.061 -15.833 45 2HD2 LEU 5 2HD2 LEU 5 -7.228 -7.572 -15.213 46 3HD2 LEU 5 3HD2 LEU 5 -8.659 -6.609 -14.842 47 H LEU 6 H LEU 6 -10.987 -6.870 -11.355 48 HA LEU 6 HA LEU 6 -10.411 -5.396 -9.732 49 1HB LEU 6 2HB LEU 6 -10.010 -8.005 -8.353 50 2HB LEU 6 1HB LEU 6 -9.401 -6.560 -7.572 51 HG LEU 6 HG LEU 6 -11.596 -7.116 -6.718 52 1HD1 LEU 6 1HD1 LEU 6 -12.728 -4.988 -7.114 53 2HD1 LEU 6 2HD1 LEU 6 -11.657 -4.671 -8.479 54 3HD1 LEU 6 3HD1 LEU 6 -10.998 -4.766 -6.845 55 1HD2 LEU 6 1HD2 LEU 6 -12.472 -8.324 -8.635 56 2HD2 LEU 6 2HD2 LEU 6 -12.553 -6.822 -9.559 57 3HD2 LEU 6 3HD2 LEU 6 -13.578 -7.041 -8.140 58 H ASP 7 H ASP 7 -8.297 -6.662 -11.626 59 HA ASP 7 HA ASP 7 -5.829 -6.051 -10.244 60 1HB ASP 7 2HB ASP 7 -5.932 -7.869 -11.915 61 2HB ASP 7 1HB ASP 7 -6.360 -6.698 -13.156 62 H ILE 8 H ILE 8 -8.214 -4.253 -11.496 63 HA ILE 8 HA ILE 8 -6.642 -2.266 -12.905 64 HB ILE 8 HB ILE 8 -8.817 -1.120 -13.229 65 1HG1 ILE 8 2HG1 ILE 8 -9.943 -3.521 -11.761 66 2HG1 ILE 8 1HG1 ILE 8 -9.873 -1.885 -11.114 67 1HG2 ILE 8 1HG2 ILE 8 -8.013 -2.772 -14.846 68 2HG2 ILE 8 2HG2 ILE 8 -9.774 -2.786 -14.732 69 3HG2 ILE 8 3HG2 ILE 8 -8.829 -4.050 -13.944 70 1HD1 ILE 8 1HD1 ILE 8 -12.096 -2.399 -11.909 71 2HD1 ILE 8 2HD1 ILE 8 -11.462 -2.791 -13.509 72 3HD1 ILE 8 3HD1 ILE 8 -11.373 -1.136 -12.905 73 H LEU 9 H LEU 9 -6.635 -2.852 -9.844 74 HA LEU 9 HA LEU 9 -7.593 -0.429 -8.657 75 1HB LEU 9 2HB LEU 9 -5.736 -2.549 -7.572 76 2HB LEU 9 1HB LEU 9 -6.419 -1.237 -6.630 77 HG LEU 9 HG LEU 9 -8.009 -3.418 -7.982 78 1HD1 LEU 9 1HD1 LEU 9 -6.707 -4.259 -6.101 79 2HD1 LEU 9 2HD1 LEU 9 -8.429 -4.227 -5.722 80 3HD1 LEU 9 3HD1 LEU 9 -7.361 -2.985 -5.071 81 1HD2 LEU 9 1HD2 LEU 9 -9.901 -2.518 -6.739 82 2HD2 LEU 9 2HD2 LEU 9 -9.227 -1.304 -7.824 83 3HD2 LEU 9 3HD2 LEU 9 -8.881 -1.232 -6.098 84 H VAL 10 H VAL 10 -6.647 1.346 -9.508 85 HA VAL 10 HA VAL 10 -3.731 1.479 -9.647 86 HB VAL 10 HB VAL 10 -4.067 3.574 -10.913 87 1HG1 VAL 10 1HG1 VAL 10 -3.895 1.444 -12.092 88 2HG1 VAL 10 2HG1 VAL 10 -4.965 2.561 -12.937 89 3HG1 VAL 10 3HG1 VAL 10 -5.644 1.241 -11.987 90 1HG2 VAL 10 1HG2 VAL 10 -6.321 4.187 -11.675 91 2HG2 VAL 10 2HG2 VAL 10 -6.165 4.307 -9.923 92 3HG2 VAL 10 3HG2 VAL 10 -7.004 2.931 -10.641 93 H CYS 11 H CYS 11 -2.579 3.261 -8.774 94 HA CYS 11 HA CYS 11 -3.356 4.105 -6.211 95 1HB CYS 11 2HB CYS 11 -1.015 3.997 -6.829 96 2HB CYS 11 1HB CYS 11 -1.255 5.184 -8.107 97 HG CYS 11 HG CYS 11 -0.277 5.712 -5.084 98 HA PRO 12 HA PRO 12 -6.244 7.297 -7.350 99 1HB PRO 12 2HB PRO 12 -6.232 8.597 -4.916 100 2HB PRO 12 1HB PRO 12 -7.216 7.182 -5.295 101 1HG PRO 12 2HG PRO 12 -4.620 7.349 -3.831 102 2HG PRO 12 1HG PRO 12 -6.034 6.330 -3.501 103 1HD PRO 12 2HD PRO 12 -3.827 5.356 -4.696 104 2HD PRO 12 1HD PRO 12 -5.453 4.781 -5.115 105 H VAL 13 H VAL 13 -3.050 7.848 -6.081 106 HA VAL 13 HA VAL 13 -3.142 10.691 -6.629 107 HB VAL 13 HB VAL 13 -0.773 9.027 -5.760 108 1HG1 VAL 13 1HG1 VAL 13 -1.258 12.000 -5.729 109 2HG1 VAL 13 2HG1 VAL 13 -0.091 11.123 -6.722 110 3HG1 VAL 13 3HG1 VAL 13 0.117 11.193 -4.971 111 1HG2 VAL 13 1HG2 VAL 13 -2.567 8.841 -4.131 112 2HG2 VAL 13 2HG2 VAL 13 -2.725 10.598 -4.081 113 3HG2 VAL 13 3HG2 VAL 13 -1.251 9.825 -3.490 114 H CYS 14 H CYS 14 -0.767 8.187 -7.606 115 HA CYS 14 HA CYS 14 -0.192 9.834 -9.945 116 1HB CYS 14 2HB CYS 14 1.317 7.472 -8.820 117 2HB CYS 14 1HB CYS 14 1.853 8.500 -10.145 118 HG CYS 14 HG CYS 14 1.786 10.828 -8.381 119 H LYS 15 H LYS 15 -2.214 7.351 -9.345 120 HA LYS 15 HA LYS 15 -3.357 5.857 -10.596 121 1HB LYS 15 2HB LYS 15 -2.170 7.337 -12.948 122 2HB LYS 15 1HB LYS 15 -3.587 6.295 -12.976 123 1HG LYS 15 2HG LYS 15 -3.397 8.807 -11.333 124 2HG LYS 15 1HG LYS 15 -4.063 8.749 -12.959 125 1HD LYS 15 2HD LYS 15 -5.758 7.151 -12.210 126 2HD LYS 15 1HD LYS 15 -5.082 7.200 -10.581 127 1HE LYS 15 2HE LYS 15 -5.608 9.568 -10.413 128 2HE LYS 15 1HE LYS 15 -6.222 9.568 -12.063 129 1HZ LYS 15 1HZ LYS 15 -7.961 9.437 -10.317 130 2HZ LYS 15 2HZ LYS 15 -7.366 7.911 -9.879 131 3HZ LYS 15 3HZ LYS 15 -8.012 8.153 -11.428 132 H GLY 16 H GLY 16 -0.319 5.475 -10.068 133 1HA GLY 16 2HA GLY 16 0.462 3.783 -12.300 134 2HA GLY 16 1HA GLY 16 1.453 4.236 -10.933 135 H ARG 17 H ARG 17 -1.715 2.879 -10.701 136 HA ARG 17 HA ARG 17 -2.566 0.942 -9.865 137 1HB ARG 17 2HB ARG 17 -1.067 -0.073 -11.614 138 2HB ARG 17 1HB ARG 17 0.159 -0.270 -10.372 139 1HG ARG 17 2HG ARG 17 -1.370 -1.725 -9.116 140 2HG ARG 17 1HG ARG 17 -2.568 -1.555 -10.400 141 1HD ARG 17 2HD ARG 17 -1.402 -3.624 -10.718 142 2HD ARG 17 1HD ARG 17 -0.912 -2.507 -11.989 143 HE ARG 17 HE ARG 17 0.759 -2.880 -9.595 144 1HH1 ARG 17 1HH1 ARG 17 0.359 -2.932 -13.074 145 2HH1 ARG 17 2HH1 ARG 17 2.034 -3.302 -13.383 146 1HH2 ARG 17 1HH2 ARG 17 2.972 -3.346 -10.007 147 2HH2 ARG 17 2HH2 ARG 17 3.503 -3.520 -11.655 148 H LEU 18 H LEU 18 -2.506 -0.468 -7.962 149 HA LEU 18 HA LEU 18 -0.601 0.469 -5.914 150 1HB LEU 18 2HB LEU 18 -3.486 -0.369 -5.667 151 2HB LEU 18 1HB LEU 18 -2.412 -0.290 -4.282 152 HG LEU 18 HG LEU 18 -3.067 2.052 -6.072 153 1HD1 LEU 18 1HD1 LEU 18 -5.032 1.309 -4.829 154 2HD1 LEU 18 2HD1 LEU 18 -4.434 2.853 -4.222 155 3HD1 LEU 18 3HD1 LEU 18 -4.110 1.369 -3.328 156 1HD2 LEU 18 1HD2 LEU 18 -1.633 1.904 -3.421 157 2HD2 LEU 18 2HD2 LEU 18 -2.012 3.379 -4.313 158 3HD2 LEU 18 3HD2 LEU 18 -0.880 2.205 -4.987 159 H GLU 19 H GLU 19 -0.208 -1.192 -4.176 160 HA GLU 19 HA GLU 19 0.014 -3.840 -5.435 161 1HB GLU 19 2HB GLU 19 1.761 -2.539 -3.341 162 2HB GLU 19 1HB GLU 19 1.921 -4.199 -3.887 163 1HG GLU 19 2HG GLU 19 2.218 -3.233 -6.221 164 2HG GLU 19 1HG GLU 19 2.434 -1.680 -5.413 165 H PHE 20 H PHE 20 -1.079 -5.446 -4.543 166 HA PHE 20 HA PHE 20 -2.456 -5.092 -2.046 167 1HB PHE 20 2HB PHE 20 -3.492 -6.328 -3.925 168 2HB PHE 20 1HB PHE 20 -2.228 -7.546 -3.807 169 HD1 PHE 20 1HD PHE 20 -4.996 -5.969 -1.896 170 HD2 PHE 20 2HD PHE 20 -2.477 -9.375 -2.386 171 HE1 PHE 20 1HE PHE 20 -6.352 -7.206 -0.261 172 HE2 PHE 20 2HE PHE 20 -3.829 -10.614 -0.745 173 HZ PHE 20 HZ PHE 20 -5.769 -9.528 0.319 174 H GLN 21 H GLN 21 -1.100 -5.020 -0.355 175 HA GLN 21 HA GLN 21 0.888 -7.158 -0.081 176 1HB GLN 21 2HB GLN 21 0.654 -4.445 1.221 177 2HB GLN 21 1HB GLN 21 1.838 -5.646 1.700 178 1HG GLN 21 2HG GLN 21 2.660 -5.658 -0.669 179 2HG GLN 21 1HG GLN 21 1.616 -4.268 -0.954 180 1HE2 GLN 21 1HE2 GLN 21 3.393 -2.974 -1.445 181 2HE2 GLN 21 2HE2 GLN 21 4.457 -2.388 -0.219 182 H ARG 22 H ARG 22 1.183 -8.035 2.145 183 HA ARG 22 HA ARG 22 -1.467 -8.270 3.404 184 1HB ARG 22 2HB ARG 22 0.473 -10.553 3.061 185 2HB ARG 22 1HB ARG 22 -1.183 -10.636 3.643 186 1HG ARG 22 2HG ARG 22 -1.981 -9.946 1.423 187 2HG ARG 22 1HG ARG 22 -0.316 -9.915 0.847 188 1HD ARG 22 2HD ARG 22 -0.216 -12.360 1.623 189 2HD ARG 22 1HD ARG 22 -1.975 -12.267 1.689 190 HE ARG 22 HE ARG 22 -0.514 -11.620 -0.792 191 1HH1 ARG 22 1HH1 ARG 22 -3.017 -13.385 0.911 192 2HH1 ARG 22 2HH1 ARG 22 -3.576 -14.225 -0.507 193 1HH2 ARG 22 1HH2 ARG 22 -1.251 -12.724 -2.674 194 2HH2 ARG 22 2HH2 ARG 22 -2.555 -13.874 -2.532 195 H ALA 23 H ALA 23 -0.462 -6.593 4.813 196 HA ALA 23 HA ALA 23 1.055 -7.871 6.991 197 1HB ALA 23 1HB ALA 23 0.255 -4.977 6.588 198 2HB ALA 23 2HB ALA 23 1.862 -5.660 6.342 199 3HB ALA 23 3HB ALA 23 1.172 -5.595 7.963 200 H GLN 24 H GLN 24 -1.857 -6.043 6.283 201 HA GLN 24 HA GLN 24 -3.321 -7.726 8.212 202 1HB GLN 24 2HB GLN 24 -3.222 -5.416 9.071 203 2HB GLN 24 1HB GLN 24 -3.830 -4.812 7.538 204 1HG GLN 24 2HG GLN 24 -5.676 -4.782 8.943 205 2HG GLN 24 1HG GLN 24 -5.891 -6.240 7.981 206 1HE2 GLN 24 1HE2 GLN 24 -5.199 -4.934 11.103 207 2HE2 GLN 24 2HE2 GLN 24 -5.374 -6.416 11.995 208 H ALA 25 H ALA 25 -3.788 -5.417 5.599 209 HA ALA 25 HA ALA 25 -4.392 -7.021 3.479 210 1HB ALA 25 1HB ALA 25 -6.835 -7.019 3.322 211 2HB ALA 25 2HB ALA 25 -6.950 -6.277 4.917 212 3HB ALA 25 3HB ALA 25 -6.314 -7.915 4.752 213 H GLU 26 H GLU 26 -3.271 -5.202 2.568 214 HA GLU 26 HA GLU 26 -4.945 -2.853 2.210 215 1HB GLU 26 2HB GLU 26 -3.042 -1.349 2.936 216 2HB GLU 26 1HB GLU 26 -3.927 -2.172 4.208 217 1HG GLU 26 2HG GLU 26 -1.361 -3.287 3.124 218 2HG GLU 26 1HG GLU 26 -1.373 -2.046 4.375 219 H LEU 27 H LEU 27 -4.337 -1.440 0.610 220 HA LEU 27 HA LEU 27 -2.360 -2.430 -1.319 221 1HB LEU 27 2HB LEU 27 -4.324 -0.157 -1.604 222 2HB LEU 27 1HB LEU 27 -3.361 -0.868 -2.878 223 HG LEU 27 HG LEU 27 -5.558 -2.308 -1.390 224 1HD1 LEU 27 1HD1 LEU 27 -5.549 -1.069 -4.139 225 2HD1 LEU 27 2HD1 LEU 27 -6.461 -0.498 -2.741 226 3HD1 LEU 27 3HD1 LEU 27 -6.839 -2.064 -3.462 227 1HD2 LEU 27 1HD2 LEU 27 -5.326 -3.970 -3.170 228 2HD2 LEU 27 2HD2 LEU 27 -3.834 -3.799 -2.246 229 3HD2 LEU 27 3HD2 LEU 27 -3.973 -3.061 -3.842 230 H VAL 28 H VAL 28 -0.366 -1.597 -1.143 231 HA VAL 28 HA VAL 28 -0.041 0.828 0.463 232 HB VAL 28 HB VAL 28 2.000 -1.245 -0.362 233 1HG1 VAL 28 1HG1 VAL 28 3.487 -0.136 1.256 234 2HG1 VAL 28 2HG1 VAL 28 2.267 1.113 1.512 235 3HG1 VAL 28 3HG1 VAL 28 3.039 0.945 -0.065 236 1HG2 VAL 28 1HG2 VAL 28 1.931 -1.906 1.990 237 2HG2 VAL 28 2HG2 VAL 28 0.354 -2.088 1.225 238 3HG2 VAL 28 3HG2 VAL 28 0.663 -0.720 2.291 239 H CYS 29 H CYS 29 0.564 2.698 -0.349 240 HA CYS 29 HA CYS 29 1.553 2.872 -3.096 241 1HB CYS 29 2HB CYS 29 -0.222 4.446 -2.414 242 2HB CYS 29 1HB CYS 29 0.797 5.033 -1.106 243 HG CYS 29 HG CYS 29 1.432 7.066 -2.573 244 H ASN 30 H ASN 30 3.695 2.505 -3.241 245 HA ASN 30 HA ASN 30 5.445 2.528 -1.049 246 1HB ASN 30 2HB ASN 30 6.054 2.547 -4.013 247 2HB ASN 30 1HB ASN 30 7.276 2.332 -2.763 248 1HD2 ASN 30 1HD2 ASN 30 4.700 0.880 -4.519 249 2HD2 ASN 30 2HD2 ASN 30 4.881 -0.724 -3.888 250 H ALA 31 H ALA 31 4.536 5.075 -3.215 251 HA ALA 31 HA ALA 31 6.836 6.702 -2.875 252 1HB ALA 31 1HB ALA 31 5.315 6.986 -4.770 253 2HB ALA 31 2HB ALA 31 5.490 8.485 -3.857 254 3HB ALA 31 3HB ALA 31 4.037 7.504 -3.670 255 H ASP 32 H ASP 32 3.663 6.649 -1.301 256 HA ASP 32 HA ASP 32 4.495 8.777 0.523 257 1HB ASP 32 2HB ASP 32 1.823 7.391 0.189 258 2HB ASP 32 1HB ASP 32 2.137 8.745 1.269 259 H ARG 33 H ARG 33 4.397 5.425 0.370 260 HA ARG 33 HA ARG 33 4.497 3.709 1.833 261 1HB ARG 33 2HB ARG 33 5.487 5.850 3.709 262 2HB ARG 33 1HB ARG 33 5.528 4.125 4.053 263 1HG ARG 33 2HG ARG 33 6.854 3.865 1.916 264 2HG ARG 33 1HG ARG 33 7.012 5.621 1.918 265 1HD ARG 33 2HD ARG 33 8.110 5.552 4.065 266 2HD ARG 33 1HD ARG 33 7.854 3.809 4.162 267 HE ARG 33 HE ARG 33 9.246 3.995 1.895 268 1HH1 ARG 33 1HH1 ARG 33 9.788 5.510 5.014 269 2HH1 ARG 33 2HH1 ARG 33 11.517 5.542 4.839 270 1HH2 ARG 33 1HH2 ARG 33 11.513 3.996 1.690 271 2HH2 ARG 33 2HH2 ARG 33 12.490 4.683 2.953 272 H LEU 34 H LEU 34 2.079 5.220 1.476 273 HA LEU 34 HA LEU 34 0.709 4.881 4.040 274 1HB LEU 34 2HB LEU 34 -0.117 6.129 1.425 275 2HB LEU 34 1HB LEU 34 -1.265 5.805 2.709 276 HG LEU 34 HG LEU 34 1.163 7.554 3.034 277 1HD1 LEU 34 1HD1 LEU 34 -1.704 8.365 2.569 278 2HD1 LEU 34 2HD1 LEU 34 -0.397 8.509 1.394 279 3HD1 LEU 34 3HD1 LEU 34 -0.350 9.451 2.883 280 1HD2 LEU 34 1HD2 LEU 34 0.329 6.551 5.101 281 2HD2 LEU 34 2HD2 LEU 34 -1.282 7.178 4.756 282 3HD2 LEU 34 3HD2 LEU 34 0.049 8.292 5.071 283 H ALA 35 H ALA 35 -0.943 3.439 4.317 284 HA ALA 35 HA ALA 35 -1.152 1.377 2.216 285 1HB ALA 35 1HB ALA 35 -1.250 0.965 5.202 286 2HB ALA 35 2HB ALA 35 0.121 0.599 4.154 287 3HB ALA 35 3HB ALA 35 -1.392 -0.288 3.969 288 H PHE 36 H PHE 36 -3.062 1.529 1.283 289 HA PHE 36 HA PHE 36 -5.382 2.583 2.630 290 1HB PHE 36 2HB PHE 36 -5.084 1.319 -0.110 291 2HB PHE 36 1HB PHE 36 -6.522 2.148 0.474 292 HD1 PHE 36 2HD PHE 36 -6.499 4.581 0.809 293 HD2 PHE 36 1HD PHE 36 -3.175 2.520 -0.869 294 HE1 PHE 36 2HE PHE 36 -5.603 6.715 -0.028 295 HE2 PHE 36 1HE PHE 36 -2.271 4.647 -1.706 296 HZ PHE 36 HZ PHE 36 -3.490 6.750 -1.286 297 HA PRO 37 HA PRO 37 -6.212 -1.448 4.302 298 1HB PRO 37 2HB PRO 37 -8.378 -0.787 5.778 299 2HB PRO 37 1HB PRO 37 -6.730 -0.347 6.246 300 1HG PRO 37 2HG PRO 37 -8.833 1.315 4.921 301 2HG PRO 37 1HG PRO 37 -7.703 1.762 6.211 302 1HD PRO 37 2HD PRO 37 -7.328 2.422 3.590 303 2HD PRO 37 1HD PRO 37 -5.995 2.183 4.737 304 H VAL 38 H VAL 38 -7.127 -3.080 3.283 305 HA VAL 38 HA VAL 38 -9.694 -2.694 1.916 306 HB VAL 38 HB VAL 38 -7.811 -5.061 1.787 307 1HG1 VAL 38 1HG1 VAL 38 -10.116 -5.641 1.282 308 2HG1 VAL 38 2HG1 VAL 38 -9.111 -5.723 -0.164 309 3HG1 VAL 38 3HG1 VAL 38 -10.191 -4.350 0.082 310 1HG2 VAL 38 1HG2 VAL 38 -7.208 -4.222 -0.443 311 2HG2 VAL 38 2HG2 VAL 38 -6.735 -3.114 0.846 312 3HG2 VAL 38 3HG2 VAL 38 -8.159 -2.768 -0.138 313 H ARG 39 H ARG 39 -11.404 -3.101 3.154 314 HA ARG 39 HA ARG 39 -11.093 -4.845 5.470 315 1HB ARG 39 2HB ARG 39 -12.092 -2.582 5.718 316 2HB ARG 39 1HB ARG 39 -13.421 -3.090 4.685 317 1HG ARG 39 2HG ARG 39 -14.066 -4.775 6.308 318 2HG ARG 39 1HG ARG 39 -12.706 -4.319 7.337 319 1HD ARG 39 2HD ARG 39 -13.628 -2.096 7.621 320 2HD ARG 39 1HD ARG 39 -14.949 -2.479 6.519 321 HE ARG 39 HE ARG 39 -14.765 -4.245 8.793 322 1HH1 ARG 39 1HH1 ARG 39 -16.076 -1.235 7.584 323 2HH1 ARG 39 2HH1 ARG 39 -17.406 -1.210 8.698 324 1HH2 ARG 39 1HH2 ARG 39 -16.519 -4.213 10.276 325 2HH2 ARG 39 2HH2 ARG 39 -17.655 -2.888 10.231 326 H ASP 40 H ASP 40 -10.923 -6.686 4.025 327 HA ASP 40 HA ASP 40 -11.677 -8.536 2.956 328 1HB ASP 40 2HB ASP 40 -12.551 -8.873 5.246 329 2HB ASP 40 1HB ASP 40 -14.069 -8.127 4.756 330 H GLY 41 H GLY 41 -11.877 -7.619 0.888 331 1HA GLY 41 2HA GLY 41 -13.181 -7.750 -1.065 332 2HA GLY 41 1HA GLY 41 -14.634 -7.677 -0.078 333 H VAL 42 H VAL 42 -13.902 -5.336 1.421 334 HA VAL 42 HA VAL 42 -14.439 -3.360 -0.689 335 HB VAL 42 HB VAL 42 -14.888 -3.087 2.291 336 1HG1 VAL 42 1HG1 VAL 42 -16.259 -1.160 1.682 337 2HG1 VAL 42 2HG1 VAL 42 -15.838 -1.391 -0.014 338 3HG1 VAL 42 3HG1 VAL 42 -14.590 -0.953 1.154 339 1HG2 VAL 42 1HG2 VAL 42 -17.274 -3.401 1.772 340 2HG2 VAL 42 2HG2 VAL 42 -16.314 -4.833 1.396 341 3HG2 VAL 42 3HG2 VAL 42 -16.848 -3.764 0.100 342 HA PRO 43 HA PRO 43 -10.288 -1.943 0.391 343 1HB PRO 43 2HB PRO 43 -9.714 -0.839 -1.992 344 2HB PRO 43 1HB PRO 43 -9.657 -2.586 -1.731 345 1HG PRO 43 2HG PRO 43 -11.716 -0.943 -3.114 346 2HG PRO 43 1HG PRO 43 -11.168 -2.590 -3.466 347 1HD PRO 43 2HD PRO 43 -13.496 -1.886 -2.077 348 2HD PRO 43 1HD PRO 43 -12.746 -3.494 -2.116 349 H ILE 44 H ILE 44 -10.236 -0.195 1.682 350 HA ILE 44 HA ILE 44 -11.820 2.152 1.058 351 HB ILE 44 HB ILE 44 -9.909 1.703 3.367 352 1HG1 ILE 44 2HG1 ILE 44 -11.752 0.072 3.367 353 2HG1 ILE 44 1HG1 ILE 44 -11.923 1.209 4.698 354 1HG2 ILE 44 1HG2 ILE 44 -12.053 3.785 2.932 355 2HG2 ILE 44 2HG2 ILE 44 -10.313 4.060 2.955 356 3HG2 ILE 44 3HG2 ILE 44 -11.145 3.560 4.426 357 1HD1 ILE 44 1HD1 ILE 44 -13.437 1.263 2.099 358 2HD1 ILE 44 2HD1 ILE 44 -13.596 2.447 3.399 359 3HD1 ILE 44 3HD1 ILE 44 -14.062 0.766 3.671 360 H MET 45 H MET 45 -10.851 2.866 -0.831 361 HA MET 45 HA MET 45 -8.024 3.516 -0.825 362 1HB MET 45 2HB MET 45 -10.126 3.818 -2.981 363 2HB MET 45 1HB MET 45 -8.414 4.161 -3.190 364 1HG MET 45 2HG MET 45 -7.860 1.846 -2.786 365 2HG MET 45 1HG MET 45 -9.548 1.472 -2.449 366 1HE MET 45 1HE MET 45 -8.007 2.775 -6.598 367 2HE MET 45 2HE MET 45 -6.968 2.603 -5.185 368 3HE MET 45 3HE MET 45 -8.184 3.881 -5.234 369 H LEU 46 H LEU 46 -8.815 5.004 1.061 370 HA LEU 46 HA LEU 46 -9.098 7.692 -0.095 371 1HB LEU 46 2HB LEU 46 -10.440 6.637 2.401 372 2HB LEU 46 1HB LEU 46 -10.384 8.333 1.957 373 HG LEU 46 HG LEU 46 -11.688 6.174 0.294 374 1HD1 LEU 46 1HD1 LEU 46 -13.801 7.113 1.041 375 2HD1 LEU 46 2HD1 LEU 46 -12.943 8.247 2.083 376 3HD1 LEU 46 3HD1 LEU 46 -12.861 6.516 2.410 377 1HD2 LEU 46 1HD2 LEU 46 -10.915 8.043 -1.046 378 2HD2 LEU 46 2HD2 LEU 46 -11.695 9.181 0.052 379 3HD2 LEU 46 3HD2 LEU 46 -12.674 8.078 -0.915 380 H GLU 47 H GLU 47 -7.331 8.797 0.289 381 HA GLU 47 HA GLU 47 -5.201 7.872 1.805 382 1HB GLU 47 2HB GLU 47 -5.667 10.775 1.146 383 2HB GLU 47 1HB GLU 47 -4.127 9.973 1.410 384 1HG GLU 47 2HG GLU 47 -4.167 10.144 -0.871 385 2HG GLU 47 1HG GLU 47 -4.842 8.531 -0.639 386 H ALA 48 H ALA 48 -7.746 10.135 2.715 387 HA ALA 48 HA ALA 48 -6.497 10.882 5.186 388 1HB ALA 48 1HB ALA 48 -8.016 12.404 4.046 389 2HB ALA 48 2HB ALA 48 -8.600 12.033 5.668 390 3HB ALA 48 3HB ALA 48 -9.343 11.262 4.266 391 H GLU 49 H GLU 49 -8.016 8.091 4.227 392 HA GLU 49 HA GLU 49 -8.715 7.423 7.011 393 1HB GLU 49 2HB GLU 49 -9.985 6.541 4.425 394 2HB GLU 49 1HB GLU 49 -10.186 5.624 5.914 395 1HG GLU 49 2HG GLU 49 -11.212 7.512 6.996 396 2HG GLU 49 1HG GLU 49 -10.897 8.528 5.593 397 H ALA 50 H ALA 50 -6.243 7.196 5.166 398 HA ALA 50 HA ALA 50 -5.730 4.337 5.659 399 1HB ALA 50 1HB ALA 50 -4.322 6.193 3.740 400 2HB ALA 50 2HB ALA 50 -5.548 5.004 3.300 401 3HB ALA 50 3HB ALA 50 -4.000 4.474 3.955 402 H ARG 51 H ARG 51 -3.692 3.766 6.607 403 HA ARG 51 HA ARG 51 -2.504 5.978 8.137 404 1HB ARG 51 2HB ARG 51 -1.902 4.435 9.862 405 2HB ARG 51 1HB ARG 51 -3.594 4.174 9.481 406 1HG ARG 51 2HG ARG 51 -1.389 2.457 8.368 407 2HG ARG 51 1HG ARG 51 -2.196 2.117 9.895 408 1HD ARG 51 2HD ARG 51 -4.374 2.247 8.484 409 2HD ARG 51 1HD ARG 51 -3.291 2.022 7.109 410 HE ARG 51 HE ARG 51 -3.359 0.123 9.369 411 1HH1 ARG 51 1HH1 ARG 51 -3.570 0.762 5.919 412 2HH1 ARG 51 2HH1 ARG 51 -3.516 -0.919 5.493 413 1HH2 ARG 51 1HH2 ARG 51 -3.285 -2.065 8.788 414 2HH2 ARG 51 2HH2 ARG 51 -3.322 -2.531 7.109 415 H SER 52 H SER 52 -0.185 5.849 8.564 416 HA SER 52 HA SER 52 1.175 5.122 6.108 417 1HB SER 52 2HB SER 52 1.576 7.338 6.966 418 2HB SER 52 1HB SER 52 2.094 6.690 8.510 419 HG SER 52 HG SER 52 3.539 7.158 6.318 420 H LEU 53 H LEU 53 3.329 4.188 6.240 421 HA LEU 53 HA LEU 53 3.332 1.964 8.171 422 1HB LEU 53 2HB LEU 53 4.544 2.148 5.414 423 2HB LEU 53 1HB LEU 53 4.705 0.767 6.484 424 HG LEU 53 HG LEU 53 2.125 1.786 5.287 425 1HD1 LEU 53 1HD1 LEU 53 2.166 -0.326 4.045 426 2HD1 LEU 53 2HD1 LEU 53 3.754 -0.686 4.723 427 3HD1 LEU 53 3HD1 LEU 53 3.549 0.698 3.649 428 1HD2 LEU 53 1HD2 LEU 53 1.137 -0.241 6.257 429 2HD2 LEU 53 2HD2 LEU 53 1.755 0.846 7.500 430 3HD2 LEU 53 3HD2 LEU 53 2.666 -0.597 7.057 431 H ASP 54 H ASP 54 4.859 4.847 7.574 432 HA ASP 54 HA ASP 54 7.305 3.875 8.899 433 1HB ASP 54 2HB ASP 54 7.489 4.375 6.354 434 2HB ASP 54 1HB ASP 54 7.434 6.065 6.846 435 H ALA 55 H ALA 55 4.690 5.846 9.093 436 HA ALA 55 HA ALA 55 6.099 7.967 10.557 437 1HB ALA 55 1HB ALA 55 4.583 8.708 8.783 438 2HB ALA 55 2HB ALA 55 4.044 9.255 10.371 439 3HB ALA 55 3HB ALA 55 3.242 7.892 9.590 440 H GLU 56 H GLU 56 5.277 5.120 11.429 441 HA GLU 56 HA GLU 56 4.136 5.983 13.994 442 1HB GLU 56 2HB GLU 56 2.565 4.627 12.408 443 2HB GLU 56 1HB GLU 56 3.564 3.253 12.859 444 1HG GLU 56 2HG GLU 56 2.828 4.625 15.230 445 2HG GLU 56 1HG GLU 56 1.381 4.395 14.253 446 H ALA 57 H ALA 57 4.667 4.373 15.751 447 HA ALA 57 HA ALA 57 6.143 3.190 16.998 448 1HB ALA 57 1HB ALA 57 6.124 1.545 15.165 449 2HB ALA 57 2HB ALA 57 7.692 1.641 15.964 450 3HB ALA 57 3HB ALA 57 7.453 2.410 14.395 451 HA PRO 58 HA PRO 58 9.479 5.974 17.784 452 1HB PRO 58 2HB PRO 58 11.150 3.684 18.624 453 2HB PRO 58 1HB PRO 58 10.630 5.097 19.550 454 1HG PRO 58 2HG PRO 58 9.574 2.681 20.002 455 2HG PRO 58 1HG PRO 58 8.590 4.153 20.097 456 1HD PRO 58 2HD PRO 58 8.755 2.121 17.903 457 2HD PRO 58 1HD PRO 58 7.333 2.960 18.560 458 H ALA 59 H ALA 59 10.122 6.629 15.759 459 HA ALA 59 HA ALA 59 11.893 4.996 14.162 460 1HB ALA 59 1HB ALA 59 11.824 6.841 12.572 461 2HB ALA 59 2HB ALA 59 10.960 7.834 13.746 462 3HB ALA 59 3HB ALA 59 10.195 6.390 13.079 463 H GLN 60 H GLN 60 14.039 5.224 13.939 464 HA GLN 60 HA GLN 60 15.380 7.335 15.510 465 1HB GLN 60 2HB GLN 60 16.318 4.497 15.018 466 2HB GLN 60 1HB GLN 60 17.220 5.730 15.884 467 1HG GLN 60 2HG GLN 60 15.467 5.794 17.597 468 2HG GLN 60 1HG GLN 60 14.597 4.526 16.731 469 1HE2 GLN 60 1HE2 GLN 60 17.428 5.291 18.618 470 2HE2 GLN 60 2HE2 GLN 60 17.853 3.651 19.005 471 HA PRO 61 HA PRO 61 17.815 8.371 11.842 472 1HB PRO 61 2HB PRO 61 20.204 7.914 13.568 473 2HB PRO 61 1HB PRO 61 19.795 9.309 12.564 474 1HG PRO 61 2HG PRO 61 19.550 9.427 15.212 475 2HG PRO 61 1HG PRO 61 18.355 10.198 14.152 476 1HD PRO 61 2HD PRO 61 18.157 7.649 15.698 477 2HD PRO 61 1HD PRO 61 16.911 8.869 15.368 478 H SER 62 H SER 62 18.909 7.215 10.236 479 HA SER 62 HA SER 62 18.624 4.387 10.544 480 1HB SER 62 2HB SER 62 19.735 5.941 8.199 481 2HB SER 62 1HB SER 62 19.203 4.259 8.181 482 HG SER 62 HG SER 62 17.355 6.071 9.150 483 H LEU 63 H LEU 63 20.160 3.885 12.156 484 HA LEU 63 HA LEU 63 22.961 3.960 11.467 485 1HB LEU 63 2HB LEU 63 22.275 4.045 13.815 486 2HB LEU 63 1HB LEU 63 21.468 2.497 13.652 487 HG LEU 63 HG LEU 63 23.671 1.442 13.194 488 1HD1 LEU 63 1HD1 LEU 63 24.764 4.148 13.938 489 2HD1 LEU 63 2HD1 LEU 63 24.837 3.404 12.343 490 3HD1 LEU 63 3HD1 LEU 63 25.710 2.680 13.695 491 1HD2 LEU 63 1HD2 LEU 63 24.466 1.518 15.501 492 2HD2 LEU 63 2HD2 LEU 63 22.706 1.414 15.437 493 3HD2 LEU 63 3HD2 LEU 63 23.487 2.955 15.796 494 H GLU 64 H GLU 64 23.641 2.701 9.865 495 HA GLU 64 HA GLU 64 22.015 0.603 8.854 496 1HB GLU 64 2HB GLU 64 23.813 0.239 7.226 497 2HB GLU 64 1HB GLU 64 23.377 1.937 7.351 498 1HG GLU 64 2HG GLU 64 25.359 2.512 8.385 499 2HG GLU 64 1HG GLU 64 25.661 0.869 8.949 500 H HIS 65 H HIS 65 22.310 -1.578 8.830 501 HA HIS 65 HA HIS 65 24.193 -2.718 10.745 502 1HB HIS 65 2HB HIS 65 22.084 -3.974 8.966 503 2HB HIS 65 1HB HIS 65 23.159 -4.907 10.001 504 HD1 HIS 65 1HD HIS 65 22.473 -5.202 12.399 505 HD2 HIS 65 2HD HIS 65 20.257 -2.263 10.449 506 HE1 HIS 65 1HE HIS 65 20.617 -4.581 13.981 507 HE2 HIS 65 2HE HIS 65 19.225 -2.887 12.742 508 H HIS 66 H HIS 66 26.222 -2.580 9.965 509 HA HIS 66 HA HIS 66 26.858 -2.239 7.295 510 1HB HIS 66 2HB HIS 66 29.138 -2.359 7.890 511 2HB HIS 66 1HB HIS 66 28.314 -1.704 9.297 512 HD1 HIS 66 1HD HIS 66 30.778 -4.108 8.378 513 HD2 HIS 66 2HD HIS 66 27.829 -3.897 11.309 514 HE1 HIS 66 1HE HIS 66 31.443 -5.783 10.131 515 HE2 HIS 66 2HE HIS 66 29.773 -5.470 11.990 516 H HIS 67 H HIS 67 27.293 -3.460 5.628 517 HA HIS 67 HA HIS 67 26.860 -6.334 5.836 518 1HB HIS 67 2HB HIS 67 27.241 -4.497 3.461 519 2HB HIS 67 1HB HIS 67 27.034 -6.236 3.322 520 HD1 HIS 67 1HD HIS 67 24.747 -6.852 2.733 521 HD2 HIS 67 2HD HIS 67 24.850 -3.365 4.988 522 HE1 HIS 67 1HE HIS 67 22.358 -6.095 2.915 523 HE2 HIS 67 2HE HIS 67 22.485 -3.854 4.057 524 H HIS 68 H HIS 68 28.422 -7.860 5.585 525 HA HIS 68 HA HIS 68 31.167 -6.990 5.230 526 1HB HIS 68 2HB HIS 68 31.783 -9.343 5.488 527 2HB HIS 68 1HB HIS 68 30.693 -8.859 6.777 528 HD1 HIS 68 1HD HIS 68 28.722 -10.328 7.162 529 HD2 HIS 68 2HD HIS 68 30.422 -10.935 3.412 530 HE1 HIS 68 1HE HIS 68 27.544 -12.331 6.193 531 HE2 HIS 68 2HE HIS 68 28.640 -12.728 3.955 532 H HIS 69 H HIS 69 32.508 -8.036 3.487 533 HA HIS 69 HA HIS 69 31.404 -7.323 1.004 534 1HB HIS 69 2HB HIS 69 33.859 -7.345 1.659 535 2HB HIS 69 1HB HIS 69 33.827 -9.082 1.380 536 HD1 HIS 69 1HD HIS 69 34.016 -9.883 -1.017 537 HD2 HIS 69 2HD HIS 69 33.464 -5.768 -0.697 538 HE1 HIS 69 1HE HIS 69 34.391 -8.958 -3.328 539 HE2 HIS 69 2HE HIS 69 34.252 -6.453 -3.060 540 H HIS 70 H HIS 70 29.823 -8.359 0.067 541 HA HIS 70 HA HIS 70 28.458 -9.959 -0.749 542 1HB HIS 70 2HB HIS 70 31.093 -11.397 -1.017 543 2HB HIS 70 1HB HIS 70 29.580 -12.052 -1.630 544 HD1 HIS 70 1HD HIS 70 31.678 -11.609 -3.672 545 HD2 HIS 70 2HD HIS 70 29.030 -8.604 -2.543 546 HE1 HIS 70 1HE HIS 70 31.637 -9.976 -5.589 547 HE2 HIS 70 2HE HIS 70 30.134 -8.102 -4.828 Start of MODEL 9 1 1H MET 1 1H MET 1 -0.644 -12.131 -14.194 2 2H MET 1 2H MET 1 0.468 -13.221 -14.870 3 3H MET 1 3H MET 1 -0.935 -12.796 -15.726 4 HA MET 1 HA MET 1 1.244 -10.931 -15.001 5 1HB MET 1 2HB MET 1 1.759 -12.734 -16.740 6 2HB MET 1 1HB MET 1 0.539 -11.973 -17.748 7 1HG MET 1 2HG MET 1 2.854 -10.418 -16.661 8 2HG MET 1 1HG MET 1 2.998 -11.380 -18.128 9 1HE MET 1 1HE MET 1 0.340 -9.658 -20.455 10 2HE MET 1 2HE MET 1 0.067 -11.022 -19.371 11 3HE MET 1 3HE MET 1 1.547 -10.940 -20.327 12 H GLU 2 H GLU 2 0.362 -9.008 -14.700 13 HA GLU 2 HA GLU 2 -0.994 -7.210 -14.802 14 1HB GLU 2 2HB GLU 2 -1.580 -8.239 -17.583 15 2HB GLU 2 1HB GLU 2 -2.143 -6.696 -16.962 16 1HG GLU 2 2HG GLU 2 0.739 -7.503 -17.258 17 2HG GLU 2 1HG GLU 2 -0.155 -6.473 -18.374 18 H SER 3 H SER 3 -2.374 -7.794 -13.184 19 HA SER 3 HA SER 3 -4.592 -9.520 -13.507 20 1HB SER 3 2HB SER 3 -4.275 -7.273 -11.498 21 2HB SER 3 1HB SER 3 -5.311 -8.696 -11.344 22 HG SER 3 HG SER 3 -3.233 -8.784 -10.214 23 H ARG 4 H ARG 4 -5.876 -9.029 -15.219 24 HA ARG 4 HA ARG 4 -6.575 -6.266 -15.749 25 1HB ARG 4 2HB ARG 4 -7.245 -8.786 -17.277 26 2HB ARG 4 1HB ARG 4 -7.569 -7.145 -17.820 27 1HG ARG 4 2HG ARG 4 -5.150 -6.684 -17.793 28 2HG ARG 4 1HG ARG 4 -4.859 -8.358 -17.323 29 1HD ARG 4 2HD ARG 4 -5.882 -9.128 -19.393 30 2HD ARG 4 1HD ARG 4 -6.225 -7.461 -19.855 31 HE ARG 4 HE ARG 4 -3.665 -8.821 -19.966 32 1HH1 ARG 4 1HH1 ARG 4 -5.360 -5.771 -20.043 33 2HH1 ARG 4 2HH1 ARG 4 -4.083 -4.920 -20.861 34 1HH2 ARG 4 1HH2 ARG 4 -1.991 -7.750 -21.077 35 2HH2 ARG 4 2HH2 ARG 4 -2.155 -6.059 -21.465 36 H LEU 5 H LEU 5 -8.370 -5.333 -15.164 37 HA LEU 5 HA LEU 5 -10.448 -4.924 -14.394 38 1HB LEU 5 2HB LEU 5 -10.996 -7.497 -15.853 39 2HB LEU 5 1HB LEU 5 -12.258 -6.594 -15.041 40 HG LEU 5 HG LEU 5 -11.621 -4.618 -16.513 41 1HD1 LEU 5 1HD1 LEU 5 -10.486 -5.137 -18.615 42 2HD1 LEU 5 2HD1 LEU 5 -10.165 -6.773 -18.039 43 3HD1 LEU 5 3HD1 LEU 5 -9.427 -5.392 -17.228 44 1HD2 LEU 5 1HD2 LEU 5 -12.909 -5.468 -18.414 45 2HD2 LEU 5 2HD2 LEU 5 -13.625 -5.951 -16.876 46 3HD2 LEU 5 3HD2 LEU 5 -12.695 -7.115 -17.819 47 H LEU 6 H LEU 6 -9.710 -5.091 -12.235 48 HA LEU 6 HA LEU 6 -11.152 -7.157 -10.777 49 1HB LEU 6 2HB LEU 6 -8.718 -7.867 -11.146 50 2HB LEU 6 1HB LEU 6 -8.277 -6.542 -10.092 51 HG LEU 6 HG LEU 6 -8.351 -8.838 -9.036 52 1HD1 LEU 6 1HD1 LEU 6 -9.384 -8.056 -6.962 53 2HD1 LEU 6 2HD1 LEU 6 -10.096 -6.699 -7.833 54 3HD1 LEU 6 3HD1 LEU 6 -8.345 -6.825 -7.684 55 1HD2 LEU 6 1HD2 LEU 6 -11.323 -8.417 -9.319 56 2HD2 LEU 6 2HD2 LEU 6 -10.549 -9.682 -8.366 57 3HD2 LEU 6 3HD2 LEU 6 -10.360 -9.663 -10.120 58 H ASP 7 H ASP 7 -12.534 -5.835 -9.797 59 HA ASP 7 HA ASP 7 -13.430 -4.222 -8.505 60 1HB ASP 7 2HB ASP 7 -10.656 -4.287 -7.377 61 2HB ASP 7 1HB ASP 7 -11.774 -3.025 -6.866 62 H ILE 8 H ILE 8 -10.223 -2.808 -9.097 63 HA ILE 8 HA ILE 8 -9.548 -0.901 -10.118 64 HB ILE 8 HB ILE 8 -12.241 -0.951 -11.500 65 1HG1 ILE 8 2HG1 ILE 8 -9.539 -1.953 -12.423 66 2HG1 ILE 8 1HG1 ILE 8 -10.862 -2.978 -11.879 67 1HG2 ILE 8 1HG2 ILE 8 -9.709 0.545 -12.175 68 2HG2 ILE 8 2HG2 ILE 8 -11.212 1.254 -11.588 69 3HG2 ILE 8 3HG2 ILE 8 -11.160 0.484 -13.174 70 1HD1 ILE 8 1HD1 ILE 8 -10.886 -1.191 -14.304 71 2HD1 ILE 8 2HD1 ILE 8 -12.220 -2.210 -13.760 72 3HD1 ILE 8 3HD1 ILE 8 -10.710 -2.946 -14.298 73 H LEU 9 H LEU 9 -9.365 0.454 -8.425 74 HA LEU 9 HA LEU 9 -11.647 2.222 -7.870 75 1HB LEU 9 2HB LEU 9 -9.683 0.993 -5.941 76 2HB LEU 9 1HB LEU 9 -10.649 2.397 -5.529 77 HG LEU 9 HG LEU 9 -11.846 -0.235 -6.382 78 1HD1 LEU 9 1HD1 LEU 9 -10.552 -0.548 -4.332 79 2HD1 LEU 9 2HD1 LEU 9 -12.286 -0.641 -4.017 80 3HD1 LEU 9 3HD1 LEU 9 -11.390 0.819 -3.595 81 1HD2 LEU 9 1HD2 LEU 9 -13.869 0.684 -5.361 82 2HD2 LEU 9 2HD2 LEU 9 -13.287 1.712 -6.672 83 3HD2 LEU 9 3HD2 LEU 9 -13.004 2.177 -4.991 84 H VAL 10 H VAL 10 -11.124 4.395 -7.443 85 HA VAL 10 HA VAL 10 -8.354 5.156 -8.073 86 HB VAL 10 HB VAL 10 -9.233 7.207 -9.163 87 1HG1 VAL 10 1HG1 VAL 10 -8.562 5.297 -10.521 88 2HG1 VAL 10 2HG1 VAL 10 -9.927 6.140 -11.252 89 3HG1 VAL 10 3HG1 VAL 10 -10.187 4.623 -10.392 90 1HG2 VAL 10 1HG2 VAL 10 -11.587 7.289 -9.851 91 2HG2 VAL 10 2HG2 VAL 10 -11.423 7.301 -8.094 92 3HG2 VAL 10 3HG2 VAL 10 -11.904 5.824 -8.925 93 H CYS 11 H CYS 11 -7.740 7.298 -7.287 94 HA CYS 11 HA CYS 11 -8.465 7.720 -4.574 95 1HB CYS 11 2HB CYS 11 -6.235 8.276 -5.373 96 2HB CYS 11 1HB CYS 11 -6.903 9.444 -6.513 97 HG CYS 11 HG CYS 11 -5.585 10.386 -3.961 98 HA PRO 12 HA PRO 12 -12.195 10.031 -5.174 99 1HB PRO 12 2HB PRO 12 -12.107 11.390 -2.760 100 2HB PRO 12 1HB PRO 12 -12.771 9.770 -2.988 101 1HG PRO 12 2HG PRO 12 -10.085 10.596 -1.978 102 2HG PRO 12 1HG PRO 12 -11.133 9.272 -1.433 103 1HD PRO 12 2HD PRO 12 -8.992 8.816 -2.983 104 2HD PRO 12 1HD PRO 12 -10.491 7.883 -3.178 105 H VAL 13 H VAL 13 -9.262 11.651 -4.028 106 HA VAL 13 HA VAL 13 -10.292 14.230 -4.922 107 HB VAL 13 HB VAL 13 -7.674 13.614 -3.540 108 1HG1 VAL 13 1HG1 VAL 13 -7.647 16.021 -3.042 109 2HG1 VAL 13 2HG1 VAL 13 -9.101 16.228 -4.017 110 3HG1 VAL 13 3HG1 VAL 13 -7.600 15.698 -4.775 111 1HG2 VAL 13 1HG2 VAL 13 -8.762 14.469 -1.512 112 2HG2 VAL 13 2HG2 VAL 13 -9.552 13.016 -2.124 113 3HG2 VAL 13 3HG2 VAL 13 -10.284 14.596 -2.393 114 H CYS 14 H CYS 14 -7.280 12.357 -5.364 115 HA CYS 14 HA CYS 14 -6.423 14.120 -7.462 116 1HB CYS 14 2HB CYS 14 -5.200 11.518 -6.529 117 2HB CYS 14 1HB CYS 14 -4.418 12.741 -7.523 118 HG CYS 14 HG CYS 14 -4.236 12.446 -4.348 119 H LYS 15 H LYS 15 -8.401 11.393 -7.393 120 HA LYS 15 HA LYS 15 -9.265 9.977 -8.927 121 1HB LYS 15 2HB LYS 15 -8.431 12.209 -10.775 122 2HB LYS 15 1HB LYS 15 -9.466 10.870 -11.248 123 1HG LYS 15 2HG LYS 15 -10.076 12.873 -9.085 124 2HG LYS 15 1HG LYS 15 -10.752 12.874 -10.708 125 1HD LYS 15 2HD LYS 15 -11.638 10.567 -10.226 126 2HD LYS 15 1HD LYS 15 -11.144 10.813 -8.551 127 1HE LYS 15 2HE LYS 15 -13.125 12.479 -10.101 128 2HE LYS 15 1HE LYS 15 -13.503 11.318 -8.831 129 1HZ LYS 15 1HZ LYS 15 -13.552 13.544 -7.960 130 2HZ LYS 15 2HZ LYS 15 -11.974 13.845 -8.503 131 3HZ LYS 15 3HZ LYS 15 -12.243 12.714 -7.272 132 H GLY 16 H GLY 16 -6.236 9.973 -8.404 133 1HA GLY 16 2HA GLY 16 -5.233 8.663 -10.782 134 2HA GLY 16 1HA GLY 16 -4.374 8.859 -9.256 135 H ARG 17 H ARG 17 -4.166 6.444 -10.451 136 HA ARG 17 HA ARG 17 -6.246 4.627 -9.769 137 1HB ARG 17 2HB ARG 17 -3.352 4.208 -10.501 138 2HB ARG 17 1HB ARG 17 -4.414 2.871 -10.100 139 1HG ARG 17 2HG ARG 17 -4.431 2.925 -12.417 140 2HG ARG 17 1HG ARG 17 -5.920 3.760 -11.975 141 1HD ARG 17 2HD ARG 17 -4.998 5.874 -12.464 142 2HD ARG 17 1HD ARG 17 -3.357 5.231 -12.521 143 HE ARG 17 HE ARG 17 -5.085 4.061 -14.489 144 1HH1 ARG 17 1HH1 ARG 17 -3.038 6.804 -13.786 145 2HH1 ARG 17 2HH1 ARG 17 -2.699 7.150 -15.450 146 1HH2 ARG 17 1HH2 ARG 17 -4.648 4.489 -16.682 147 2HH2 ARG 17 2HH2 ARG 17 -3.625 5.837 -17.108 148 H LEU 18 H LEU 18 -6.498 3.294 -8.003 149 HA LEU 18 HA LEU 18 -4.622 3.635 -5.784 150 1HB LEU 18 2HB LEU 18 -7.258 2.164 -5.928 151 2HB LEU 18 1HB LEU 18 -6.258 2.288 -4.495 152 HG LEU 18 HG LEU 18 -7.649 4.570 -5.897 153 1HD1 LEU 18 1HD1 LEU 18 -9.164 3.136 -4.639 154 2HD1 LEU 18 2HD1 LEU 18 -8.970 4.699 -3.844 155 3HD1 LEU 18 3HD1 LEU 18 -8.132 3.280 -3.216 156 1HD2 LEU 18 1HD2 LEU 18 -6.841 5.965 -4.084 157 2HD2 LEU 18 2HD2 LEU 18 -5.484 5.245 -4.952 158 3HD2 LEU 18 3HD2 LEU 18 -5.976 4.594 -3.390 159 H GLU 19 H GLU 19 -3.058 2.190 -5.471 160 HA GLU 19 HA GLU 19 -2.960 -0.036 -7.358 161 1HB GLU 19 2HB GLU 19 -1.045 1.621 -7.045 162 2HB GLU 19 1HB GLU 19 -0.742 0.826 -5.508 163 1HG GLU 19 2HG GLU 19 -0.665 -1.339 -6.908 164 2HG GLU 19 1HG GLU 19 -0.462 -0.250 -8.278 165 H PHE 20 H PHE 20 -3.827 -1.839 -6.684 166 HA PHE 20 HA PHE 20 -4.149 -2.492 -3.927 167 1HB PHE 20 2HB PHE 20 -5.806 -3.212 -5.570 168 2HB PHE 20 1HB PHE 20 -4.591 -4.167 -6.412 169 HD1 PHE 20 1HD PHE 20 -6.166 -3.829 -3.047 170 HD2 PHE 20 2HD PHE 20 -4.408 -6.409 -5.941 171 HE1 PHE 20 1HE PHE 20 -6.725 -5.771 -1.648 172 HE2 PHE 20 2HE PHE 20 -4.960 -8.357 -4.542 173 HZ PHE 20 HZ PHE 20 -6.122 -8.037 -2.390 174 H GLN 21 H GLN 21 -2.416 -2.990 -2.752 175 HA GLN 21 HA GLN 21 -0.481 -4.896 -3.856 176 1HB GLN 21 2HB GLN 21 -0.261 -3.141 -1.399 177 2HB GLN 21 1HB GLN 21 0.998 -4.172 -2.055 178 1HG GLN 21 2HG GLN 21 0.831 -2.787 -4.172 179 2HG GLN 21 1HG GLN 21 -0.139 -1.660 -3.224 180 1HE2 GLN 21 1HE2 GLN 21 2.396 -1.213 -4.507 181 2HE2 GLN 21 2HE2 GLN 21 3.501 -0.754 -3.251 182 H ARG 22 H ARG 22 0.391 -6.428 -2.091 183 HA ARG 22 HA ARG 22 -1.845 -7.296 -0.399 184 1HB ARG 22 2HB ARG 22 -0.189 -9.032 -2.221 185 2HB ARG 22 1HB ARG 22 -1.224 -9.665 -0.947 186 1HG ARG 22 2HG ARG 22 -3.166 -8.611 -2.020 187 2HG ARG 22 1HG ARG 22 -2.118 -8.024 -3.310 188 1HD ARG 22 2HD ARG 22 -2.507 -10.928 -2.601 189 2HD ARG 22 1HD ARG 22 -3.361 -10.089 -3.896 190 HE ARG 22 HE ARG 22 -1.152 -9.736 -4.943 191 1HH1 ARG 22 1HH1 ARG 22 -1.483 -12.253 -2.520 192 2HH1 ARG 22 2HH1 ARG 22 -0.193 -13.221 -3.175 193 1HH2 ARG 22 1HH2 ARG 22 0.538 -11.030 -5.813 194 2HH2 ARG 22 2HH2 ARG 22 0.939 -12.535 -5.041 195 H ALA 23 H ALA 23 -0.434 -6.008 1.087 196 HA ALA 23 HA ALA 23 1.382 -7.919 2.415 197 1HB ALA 23 1HB ALA 23 2.405 -5.726 2.014 198 2HB ALA 23 2HB ALA 23 2.196 -6.026 3.740 199 3HB ALA 23 3HB ALA 23 1.085 -4.949 2.892 200 H GLN 24 H GLN 24 -1.337 -5.716 2.824 201 HA GLN 24 HA GLN 24 -2.662 -7.712 4.446 202 1HB GLN 24 2HB GLN 24 -1.377 -6.204 6.058 203 2HB GLN 24 1HB GLN 24 -2.450 -4.905 5.552 204 1HG GLN 24 2HG GLN 24 -4.378 -6.148 6.344 205 2HG GLN 24 1HG GLN 24 -3.343 -7.506 6.772 206 1HE2 GLN 24 1HE2 GLN 24 -5.136 -5.908 8.417 207 2HE2 GLN 24 2HE2 GLN 24 -4.167 -5.286 9.702 208 H ALA 25 H ALA 25 -2.858 -6.576 1.831 209 HA ALA 25 HA ALA 25 -4.413 -5.960 0.320 210 1HB ALA 25 1HB ALA 25 -5.938 -7.441 1.530 211 2HB ALA 25 2HB ALA 25 -6.774 -6.026 0.889 212 3HB ALA 25 3HB ALA 25 -6.377 -6.110 2.605 213 H GLU 26 H GLU 26 -3.179 -3.984 0.293 214 HA GLU 26 HA GLU 26 -4.706 -1.699 1.349 215 1HB GLU 26 2HB GLU 26 -2.545 -0.456 1.339 216 2HB GLU 26 1HB GLU 26 -2.581 -1.806 2.464 217 1HG GLU 26 2HG GLU 26 -1.498 -2.321 -0.242 218 2HG GLU 26 1HG GLU 26 -0.529 -1.332 0.847 219 H LEU 27 H LEU 27 -5.223 -0.053 -0.010 220 HA LEU 27 HA LEU 27 -4.467 -0.360 -2.839 221 1HB LEU 27 2HB LEU 27 -6.507 1.576 -1.807 222 2HB LEU 27 1HB LEU 27 -6.361 0.898 -3.409 223 HG LEU 27 HG LEU 27 -7.163 -0.731 -1.004 224 1HD1 LEU 27 1HD1 LEU 27 -8.802 1.032 -1.414 225 2HD1 LEU 27 2HD1 LEU 27 -9.447 -0.552 -1.844 226 3HD1 LEU 27 3HD1 LEU 27 -8.903 0.552 -3.107 227 1HD2 LEU 27 1HD2 LEU 27 -6.194 -1.999 -2.861 228 2HD2 LEU 27 2HD2 LEU 27 -7.351 -1.265 -3.971 229 3HD2 LEU 27 3HD2 LEU 27 -7.915 -2.332 -2.685 230 H VAL 28 H VAL 28 -2.545 0.640 -3.060 231 HA VAL 28 HA VAL 28 -1.749 2.921 -1.585 232 HB VAL 28 HB VAL 28 -0.608 1.707 -4.108 233 1HG1 VAL 28 1HG1 VAL 28 0.581 3.840 -2.333 234 2HG1 VAL 28 2HG1 VAL 28 0.020 4.063 -3.990 235 3HG1 VAL 28 3HG1 VAL 28 1.409 3.028 -3.661 236 1HG2 VAL 28 1HG2 VAL 28 1.094 0.813 -2.595 237 2HG2 VAL 28 2HG2 VAL 28 -0.519 0.275 -2.124 238 3HG2 VAL 28 3HG2 VAL 28 0.277 1.565 -1.226 239 H CYS 29 H CYS 29 -2.501 4.898 -1.799 240 HA CYS 29 HA CYS 29 -3.819 5.882 -4.125 241 1HB CYS 29 2HB CYS 29 -2.571 7.515 -1.906 242 2HB CYS 29 1HB CYS 29 -3.892 7.988 -2.971 243 HG CYS 29 HG CYS 29 -5.049 5.362 -1.641 244 H ASN 30 H ASN 30 -2.684 5.990 -5.959 245 HA ASN 30 HA ASN 30 0.101 5.920 -6.057 246 1HB ASN 30 2HB ASN 30 -1.874 5.405 -7.818 247 2HB ASN 30 1HB ASN 30 -1.339 6.963 -8.432 248 1HD2 ASN 30 1HD2 ASN 30 0.609 4.440 -6.917 249 2HD2 ASN 30 2HD2 ASN 30 1.595 4.116 -8.297 250 H ALA 31 H ALA 31 -2.089 8.646 -6.248 251 HA ALA 31 HA ALA 31 0.149 10.414 -6.914 252 1HB ALA 31 1HB ALA 31 -1.529 12.078 -7.464 253 2HB ALA 31 2HB ALA 31 -2.808 11.012 -6.884 254 3HB ALA 31 3HB ALA 31 -1.869 10.568 -8.310 255 H ASP 32 H ASP 32 -0.972 9.181 -4.192 256 HA ASP 32 HA ASP 32 -0.740 11.715 -2.707 257 1HB ASP 32 2HB ASP 32 -2.582 9.396 -2.105 258 2HB ASP 32 1HB ASP 32 -2.318 10.761 -1.026 259 H ARG 33 H ARG 33 0.441 8.591 -3.185 260 HA ARG 33 HA ARG 33 2.036 7.330 -2.168 261 1HB ARG 33 2HB ARG 33 2.577 9.838 -0.569 262 2HB ARG 33 1HB ARG 33 3.623 8.428 -0.640 263 1HG ARG 33 2HG ARG 33 3.037 9.323 -3.292 264 2HG ARG 33 1HG ARG 33 3.631 10.666 -2.318 265 1HD ARG 33 2HD ARG 33 4.997 7.992 -2.476 266 2HD ARG 33 1HD ARG 33 5.393 9.347 -3.529 267 HE ARG 33 HE ARG 33 5.716 9.380 -0.584 268 1HH1 ARG 33 1HH1 ARG 33 6.645 10.406 -3.804 269 2HH1 ARG 33 2HH1 ARG 33 8.098 11.207 -3.271 270 1HH2 ARG 33 1HH2 ARG 33 7.626 10.426 0.120 271 2HH2 ARG 33 2HH2 ARG 33 8.628 11.254 -1.040 272 H LEU 34 H LEU 34 -0.638 7.308 -1.224 273 HA LEU 34 HA LEU 34 -0.263 6.647 1.630 274 1HB LEU 34 2HB LEU 34 -2.746 7.595 0.189 275 2HB LEU 34 1HB LEU 34 -2.734 7.009 1.840 276 HG LEU 34 HG LEU 34 -1.204 9.426 0.882 277 1HD1 LEU 34 1HD1 LEU 34 -3.614 9.783 0.732 278 2HD1 LEU 34 2HD1 LEU 34 -2.904 10.733 2.036 279 3HD1 LEU 34 3HD1 LEU 34 -3.798 9.259 2.407 280 1HD2 LEU 34 1HD2 LEU 34 -0.965 9.886 3.280 281 2HD2 LEU 34 2HD2 LEU 34 -0.201 8.363 2.821 282 3HD2 LEU 34 3HD2 LEU 34 -1.761 8.354 3.645 283 H ALA 35 H ALA 35 -2.300 5.091 2.202 284 HA ALA 35 HA ALA 35 -2.836 3.175 0.099 285 1HB ALA 35 1HB ALA 35 -0.668 2.413 0.962 286 2HB ALA 35 2HB ALA 35 -1.953 1.251 1.295 287 3HB ALA 35 3HB ALA 35 -1.356 2.301 2.581 288 H PHE 36 H PHE 36 -4.916 2.757 0.265 289 HA PHE 36 HA PHE 36 -6.282 3.030 2.826 290 1HB PHE 36 2HB PHE 36 -7.300 2.579 0.014 291 2HB PHE 36 1HB PHE 36 -8.348 2.631 1.427 292 HD1 PHE 36 2HD PHE 36 -7.075 4.860 2.930 293 HD2 PHE 36 1HD PHE 36 -7.966 4.424 -1.209 294 HE1 PHE 36 2HE PHE 36 -7.237 7.305 2.712 295 HE2 PHE 36 1HE PHE 36 -8.135 6.867 -1.437 296 HZ PHE 36 HZ PHE 36 -7.771 8.311 0.526 297 HA PRO 37 HA PRO 37 -5.788 -1.416 3.213 298 1HB PRO 37 2HB PRO 37 -6.731 -1.133 5.931 299 2HB PRO 37 1HB PRO 37 -5.091 -1.464 5.371 300 1HG PRO 37 2HG PRO 37 -5.851 0.871 6.588 301 2HG PRO 37 1HG PRO 37 -4.485 0.742 5.467 302 1HD PRO 37 2HD PRO 37 -7.267 1.729 4.968 303 2HD PRO 37 1HD PRO 37 -5.720 2.368 4.372 304 H VAL 38 H VAL 38 -7.228 -2.958 2.725 305 HA VAL 38 HA VAL 38 -10.078 -2.473 3.247 306 HB VAL 38 HB VAL 38 -8.807 -4.662 1.587 307 1HG1 VAL 38 1HG1 VAL 38 -11.028 -5.230 2.396 308 2HG1 VAL 38 2HG1 VAL 38 -11.056 -4.936 0.657 309 3HG1 VAL 38 3HG1 VAL 38 -11.662 -3.708 1.769 310 1HG2 VAL 38 1HG2 VAL 38 -8.303 -2.485 0.630 311 2HG2 VAL 38 2HG2 VAL 38 -10.007 -2.040 0.703 312 3HG2 VAL 38 3HG2 VAL 38 -9.480 -3.339 -0.365 313 H ARG 39 H ARG 39 -10.516 -3.090 5.303 314 HA ARG 39 HA ARG 39 -9.333 -5.613 6.253 315 1HB ARG 39 2HB ARG 39 -8.702 -3.582 7.530 316 2HB ARG 39 1HB ARG 39 -10.398 -3.312 7.902 317 1HG ARG 39 2HG ARG 39 -10.464 -5.471 9.075 318 2HG ARG 39 1HG ARG 39 -8.747 -5.686 8.737 319 1HD ARG 39 2HD ARG 39 -8.269 -3.618 9.995 320 2HD ARG 39 1HD ARG 39 -9.985 -3.472 10.369 321 HE ARG 39 HE ARG 39 -8.669 -5.945 11.161 322 1HH1 ARG 39 1HH1 ARG 39 -9.812 -2.771 12.124 323 2HH1 ARG 39 2HH1 ARG 39 -9.890 -3.177 13.810 324 1HH2 ARG 39 1HH2 ARG 39 -8.760 -6.477 13.357 325 2HH2 ARG 39 2HH2 ARG 39 -9.312 -5.299 14.512 326 H ASP 40 H ASP 40 -10.666 -7.254 6.169 327 HA ASP 40 HA ASP 40 -12.477 -8.589 6.469 328 1HB ASP 40 2HB ASP 40 -12.081 -7.639 8.803 329 2HB ASP 40 1HB ASP 40 -13.419 -6.544 8.477 330 H GLY 41 H GLY 41 -12.773 -7.162 4.248 331 1HA GLY 41 2HA GLY 41 -14.469 -6.872 2.711 332 2HA GLY 41 1HA GLY 41 -15.635 -7.074 4.008 333 H VAL 42 H VAL 42 -13.601 -4.759 5.108 334 HA VAL 42 HA VAL 42 -15.292 -2.613 3.998 335 HB VAL 42 HB VAL 42 -13.982 -2.681 6.728 336 1HG1 VAL 42 1HG1 VAL 42 -15.352 -0.698 7.184 337 2HG1 VAL 42 2HG1 VAL 42 -15.906 -0.708 5.510 338 3HG1 VAL 42 3HG1 VAL 42 -14.204 -0.423 5.875 339 1HG2 VAL 42 1HG2 VAL 42 -16.878 -3.061 5.970 340 2HG2 VAL 42 2HG2 VAL 42 -16.255 -2.949 7.615 341 3HG2 VAL 42 3HG2 VAL 42 -15.797 -4.306 6.586 342 HA PRO 43 HA PRO 43 -11.211 -1.193 2.598 343 1HB PRO 43 2HB PRO 43 -12.773 0.602 0.904 344 2HB PRO 43 1HB PRO 43 -11.658 -0.683 0.432 345 1HG PRO 43 2HG PRO 43 -14.337 -0.859 0.054 346 2HG PRO 43 1HG PRO 43 -13.310 -2.272 0.351 347 1HD PRO 43 2HD PRO 43 -15.083 -0.784 2.254 348 2HD PRO 43 1HD PRO 43 -14.839 -2.537 2.077 349 H ILE 44 H ILE 44 -10.324 0.109 4.095 350 HA ILE 44 HA ILE 44 -11.807 2.281 5.262 351 HB ILE 44 HB ILE 44 -8.917 1.472 5.646 352 1HG1 ILE 44 2HG1 ILE 44 -10.482 -0.290 6.337 353 2HG1 ILE 44 1HG1 ILE 44 -9.697 0.437 7.737 354 1HG2 ILE 44 1HG2 ILE 44 -9.259 3.791 6.252 355 2HG2 ILE 44 2HG2 ILE 44 -9.030 2.815 7.704 356 3HG2 ILE 44 3HG2 ILE 44 -10.647 3.352 7.248 357 1HD1 ILE 44 1HD1 ILE 44 -12.483 1.024 6.764 358 2HD1 ILE 44 2HD1 ILE 44 -11.699 1.763 8.162 359 3HD1 ILE 44 3HD1 ILE 44 -12.046 0.034 8.158 360 H MET 45 H MET 45 -12.166 3.869 3.800 361 HA MET 45 HA MET 45 -9.904 4.999 2.340 362 1HB MET 45 2HB MET 45 -12.860 5.620 2.203 363 2HB MET 45 1HB MET 45 -11.628 6.379 1.206 364 1HG MET 45 2HG MET 45 -11.074 4.197 0.243 365 2HG MET 45 1HG MET 45 -12.339 3.454 1.217 366 1HE MET 45 1HE MET 45 -11.531 5.901 -1.749 367 2HE MET 45 2HE MET 45 -12.351 6.941 -0.586 368 3HE MET 45 3HE MET 45 -13.131 6.548 -2.118 369 H LEU 46 H LEU 46 -10.269 5.220 5.253 370 HA LEU 46 HA LEU 46 -10.925 7.994 5.746 371 1HB LEU 46 2HB LEU 46 -9.744 5.928 7.605 372 2HB LEU 46 1HB LEU 46 -10.425 7.474 8.072 373 HG LEU 46 HG LEU 46 -11.959 5.166 6.863 374 1HD1 LEU 46 1HD1 LEU 46 -13.021 5.001 9.060 375 2HD1 LEU 46 2HD1 LEU 46 -11.962 6.275 9.669 376 3HD1 LEU 46 3HD1 LEU 46 -11.282 4.729 9.163 377 1HD2 LEU 46 1HD2 LEU 46 -12.893 7.297 6.179 378 2HD2 LEU 46 2HD2 LEU 46 -12.909 7.850 7.853 379 3HD2 LEU 46 3HD2 LEU 46 -13.949 6.515 7.356 380 H GLU 47 H GLU 47 -9.539 9.599 5.574 381 HA GLU 47 HA GLU 47 -7.019 9.134 4.412 382 1HB GLU 47 2HB GLU 47 -8.551 11.120 4.069 383 2HB GLU 47 1HB GLU 47 -7.963 11.735 5.606 384 1HG GLU 47 2HG GLU 47 -5.694 11.785 4.725 385 2HG GLU 47 1HG GLU 47 -6.276 11.160 3.184 386 H ALA 48 H ALA 48 -7.873 10.397 7.646 387 HA ALA 48 HA ALA 48 -5.118 10.692 8.398 388 1HB ALA 48 1HB ALA 48 -5.986 11.277 10.606 389 2HB ALA 48 2HB ALA 48 -7.599 10.767 10.111 390 3HB ALA 48 3HB ALA 48 -6.838 12.155 9.335 391 H GLU 49 H GLU 49 -7.341 8.123 8.372 392 HA GLU 49 HA GLU 49 -5.813 6.588 10.340 393 1HB GLU 49 2HB GLU 49 -8.459 6.038 8.978 394 2HB GLU 49 1HB GLU 49 -7.648 4.876 10.017 395 1HG GLU 49 2HG GLU 49 -9.144 5.831 11.464 396 2HG GLU 49 1HG GLU 49 -7.705 6.800 11.763 397 H ALA 50 H ALA 50 -5.487 7.295 7.231 398 HA ALA 50 HA ALA 50 -5.125 4.664 6.123 399 1HB ALA 50 1HB ALA 50 -4.418 5.805 4.114 400 2HB ALA 50 2HB ALA 50 -4.320 7.335 4.986 401 3HB ALA 50 3HB ALA 50 -5.883 6.554 4.746 402 H ARG 51 H ARG 51 -3.080 4.030 5.126 403 HA ARG 51 HA ARG 51 -0.831 4.625 6.915 404 1HB ARG 51 2HB ARG 51 -1.374 2.319 6.972 405 2HB ARG 51 1HB ARG 51 -1.554 2.236 5.228 406 1HG ARG 51 2HG ARG 51 0.855 2.505 4.956 407 2HG ARG 51 1HG ARG 51 1.040 2.620 6.711 408 1HD ARG 51 2HD ARG 51 0.470 0.391 7.044 409 2HD ARG 51 1HD ARG 51 -0.350 0.270 5.490 410 HE ARG 51 HE ARG 51 2.592 0.487 5.715 411 1HH1 ARG 51 1HH1 ARG 51 -0.303 -1.010 4.442 412 2HH1 ARG 51 2HH1 ARG 51 0.540 -2.083 3.365 413 1HH2 ARG 51 1HH2 ARG 51 3.733 -0.929 4.313 414 2HH2 ARG 51 2HH2 ARG 51 2.842 -2.005 3.265 415 H SER 52 H SER 52 0.794 5.820 6.134 416 HA SER 52 HA SER 52 0.795 6.419 3.286 417 1HB SER 52 2HB SER 52 0.900 8.326 4.712 418 2HB SER 52 1HB SER 52 2.271 7.671 5.591 419 HG SER 52 HG SER 52 2.212 9.120 3.304 420 H LEU 53 H LEU 53 2.709 6.451 2.064 421 HA LEU 53 HA LEU 53 4.270 4.048 2.448 422 1HB LEU 53 2HB LEU 53 4.377 6.168 0.300 423 2HB LEU 53 1HB LEU 53 5.290 4.670 0.275 424 HG LEU 53 HG LEU 53 2.284 4.917 0.172 425 1HD1 LEU 53 1HD1 LEU 53 4.293 4.110 -1.923 426 2HD1 LEU 53 2HD1 LEU 53 3.358 5.605 -1.891 427 3HD1 LEU 53 3HD1 LEU 53 2.539 4.059 -2.104 428 1HD2 LEU 53 1HD2 LEU 53 2.291 2.504 -0.202 429 2HD2 LEU 53 2HD2 LEU 53 2.984 2.905 1.367 430 3HD2 LEU 53 3HD2 LEU 53 4.038 2.467 0.026 431 H ASP 54 H ASP 54 4.547 7.356 3.170 432 HA ASP 54 HA ASP 54 7.456 7.261 3.369 433 1HB ASP 54 2HB ASP 54 5.473 9.515 3.701 434 2HB ASP 54 1HB ASP 54 7.209 9.690 3.926 435 H ALA 55 H ALA 55 4.995 6.264 5.172 436 HA ALA 55 HA ALA 55 6.226 7.043 7.730 437 1HB ALA 55 1HB ALA 55 3.466 5.931 7.221 438 2HB ALA 55 2HB ALA 55 3.856 7.629 7.504 439 3HB ALA 55 3HB ALA 55 4.117 6.439 8.780 440 H GLU 56 H GLU 56 6.499 4.735 5.550 441 HA GLU 56 HA GLU 56 6.236 2.368 7.161 442 1HB GLU 56 2HB GLU 56 7.367 2.913 4.423 443 2HB GLU 56 1HB GLU 56 7.462 1.327 5.176 444 1HG GLU 56 2HG GLU 56 4.882 2.803 4.728 445 2HG GLU 56 1HG GLU 56 5.562 1.645 3.585 446 H ALA 57 H ALA 57 7.681 1.639 8.553 447 HA ALA 57 HA ALA 57 10.299 2.810 8.765 448 1HB ALA 57 1HB ALA 57 9.041 2.108 10.754 449 2HB ALA 57 2HB ALA 57 10.606 1.302 10.647 450 3HB ALA 57 3HB ALA 57 9.133 0.432 10.215 451 HA PRO 58 HA PRO 58 12.112 0.018 5.800 452 1HB PRO 58 2HB PRO 58 14.711 0.688 6.277 453 2HB PRO 58 1HB PRO 58 13.615 1.681 5.310 454 1HG PRO 58 2HG PRO 58 14.421 1.990 8.177 455 2HG PRO 58 1HG PRO 58 14.245 3.234 6.924 456 1HD PRO 58 2HD PRO 58 12.351 2.795 8.797 457 2HD PRO 58 1HD PRO 58 11.948 3.311 7.147 458 H ALA 59 H ALA 59 13.235 -1.930 5.820 459 HA ALA 59 HA ALA 59 13.234 -3.400 8.230 460 1HB ALA 59 1HB ALA 59 12.926 -4.462 6.049 461 2HB ALA 59 2HB ALA 59 14.278 -5.185 6.924 462 3HB ALA 59 3HB ALA 59 14.583 -4.047 5.612 463 H GLN 60 H GLN 60 14.520 -2.718 9.822 464 HA GLN 60 HA GLN 60 17.208 -1.806 9.335 465 1HB GLN 60 2HB GLN 60 15.754 -2.375 11.927 466 2HB GLN 60 1HB GLN 60 17.324 -1.596 11.799 467 1HG GLN 60 2HG GLN 60 16.323 0.272 10.615 468 2HG GLN 60 1HG GLN 60 14.748 -0.518 10.672 469 1HE2 GLN 60 1HE2 GLN 60 17.193 1.150 12.504 470 2HE2 GLN 60 2HE2 GLN 60 16.221 1.445 13.910 471 HA PRO 61 HA PRO 61 19.234 -5.771 9.581 472 1HB PRO 61 2HB PRO 61 21.643 -4.740 10.519 473 2HB PRO 61 1HB PRO 61 21.196 -4.912 8.820 474 1HG PRO 61 2HG PRO 61 21.090 -2.505 10.576 475 2HG PRO 61 1HG PRO 61 21.508 -2.628 8.857 476 1HD PRO 61 2HD PRO 61 19.115 -1.708 9.661 477 2HD PRO 61 1HD PRO 61 19.290 -2.693 8.192 478 H SER 62 H SER 62 19.580 -7.242 11.187 479 HA SER 62 HA SER 62 18.946 -6.333 13.888 480 1HB SER 62 2HB SER 62 19.115 -9.157 12.814 481 2HB SER 62 1HB SER 62 18.392 -8.645 14.341 482 HG SER 62 HG SER 62 17.266 -7.204 12.441 483 H LEU 63 H LEU 63 20.187 -6.887 15.692 484 HA LEU 63 HA LEU 63 23.022 -7.000 15.108 485 1HB LEU 63 2HB LEU 63 21.532 -6.611 17.706 486 2HB LEU 63 1HB LEU 63 23.275 -6.525 17.531 487 HG LEU 63 HG LEU 63 21.289 -4.670 16.213 488 1HD1 LEU 63 1HD1 LEU 63 21.407 -4.296 18.599 489 2HD1 LEU 63 2HD1 LEU 63 22.211 -2.984 17.737 490 3HD1 LEU 63 3HD1 LEU 63 23.168 -4.238 18.528 491 1HD2 LEU 63 1HD2 LEU 63 24.305 -4.618 16.232 492 2HD2 LEU 63 2HD2 LEU 63 23.254 -3.377 15.550 493 3HD2 LEU 63 3HD2 LEU 63 23.280 -4.994 14.847 494 H GLU 64 H GLU 64 23.941 -8.151 17.493 495 HA GLU 64 HA GLU 64 24.650 -10.127 18.324 496 1HB GLU 64 2HB GLU 64 21.782 -10.769 17.738 497 2HB GLU 64 1HB GLU 64 22.869 -12.032 18.294 498 1HG GLU 64 2HG GLU 64 21.612 -11.074 20.137 499 2HG GLU 64 1HG GLU 64 23.335 -10.762 20.321 500 H HIS 65 H HIS 65 25.048 -9.455 15.562 501 HA HIS 65 HA HIS 65 24.882 -11.681 13.873 502 1HB HIS 65 2HB HIS 65 26.738 -10.585 12.595 503 2HB HIS 65 1HB HIS 65 25.367 -9.534 12.917 504 HD1 HIS 65 1HD HIS 65 25.905 -7.314 13.885 505 HD2 HIS 65 2HD HIS 65 28.993 -10.048 14.439 506 HE1 HIS 65 1HE HIS 65 27.790 -6.014 14.938 507 HE2 HIS 65 2HE HIS 65 29.561 -7.733 15.446 508 H HIS 66 H HIS 66 26.223 -13.374 13.447 509 HA HIS 66 HA HIS 66 28.131 -13.988 15.580 510 1HB HIS 66 2HB HIS 66 26.819 -15.748 13.500 511 2HB HIS 66 1HB HIS 66 28.000 -16.319 14.674 512 HD1 HIS 66 1HD HIS 66 27.038 -17.243 16.745 513 HD2 HIS 66 2HD HIS 66 24.441 -14.579 14.887 514 HE1 HIS 66 1HE HIS 66 24.935 -17.263 18.130 515 HE2 HIS 66 2HE HIS 66 23.326 -15.752 16.909 516 H HIS 67 H HIS 67 30.201 -14.855 15.101 517 HA HIS 67 HA HIS 67 31.251 -13.915 12.510 518 1HB HIS 67 2HB HIS 67 32.094 -12.883 14.723 519 2HB HIS 67 1HB HIS 67 32.911 -14.421 14.980 520 HD1 HIS 67 1HD HIS 67 35.278 -13.532 14.760 521 HD2 HIS 67 2HD HIS 67 32.877 -12.645 11.479 522 HE1 HIS 67 1HE HIS 67 36.836 -12.621 13.006 523 HE2 HIS 67 2HE HIS 67 35.350 -11.997 11.065 524 H HIS 68 H HIS 68 31.726 -15.488 11.121 525 HA HIS 68 HA HIS 68 31.634 -18.236 12.101 526 1HB HIS 68 2HB HIS 68 30.272 -17.262 10.126 527 2HB HIS 68 1HB HIS 68 31.763 -17.415 9.208 528 HD1 HIS 68 1HD HIS 68 31.986 -19.561 7.993 529 HD2 HIS 68 2HD HIS 68 29.527 -19.912 11.333 530 HE1 HIS 68 1HE HIS 68 31.114 -21.921 7.952 531 HE2 HIS 68 2HE HIS 68 29.694 -22.143 10.021 532 H HIS 69 H HIS 69 34.063 -16.236 11.993 533 HA HIS 69 HA HIS 69 35.962 -18.349 11.298 534 1HB HIS 69 2HB HIS 69 36.072 -15.496 10.313 535 2HB HIS 69 1HB HIS 69 37.505 -16.517 10.387 536 HD1 HIS 69 1HD HIS 69 35.041 -15.452 8.076 537 HD2 HIS 69 2HD HIS 69 36.947 -19.072 8.839 538 HE1 HIS 69 1HE HIS 69 34.762 -16.822 5.986 539 HE2 HIS 69 2HE HIS 69 36.107 -18.912 6.393 540 H HIS 70 H HIS 70 37.916 -18.265 12.518 541 HA HIS 70 HA HIS 70 38.053 -16.196 14.579 542 1HB HIS 70 2HB HIS 70 38.408 -17.815 16.369 543 2HB HIS 70 1HB HIS 70 36.844 -18.090 15.615 544 HD1 HIS 70 1HD HIS 70 40.350 -19.518 15.579 545 HD2 HIS 70 2HD HIS 70 36.436 -20.663 14.793 546 HE1 HIS 70 1HE HIS 70 40.441 -21.998 15.180 547 HE2 HIS 70 2HE HIS 70 38.035 -22.696 14.943 Start of MODEL 10 1 1H MET 1 1H MET 1 -20.530 -11.803 -6.202 2 2H MET 1 2H MET 1 -19.319 -11.187 -5.186 3 3H MET 1 3H MET 1 -19.008 -12.550 -6.142 4 HA MET 1 HA MET 1 -19.629 -9.862 -7.198 5 1HB MET 1 2HB MET 1 -17.013 -11.269 -6.712 6 2HB MET 1 1HB MET 1 -17.162 -10.030 -7.950 7 1HG MET 1 2HG MET 1 -17.783 -9.631 -5.031 8 2HG MET 1 1HG MET 1 -16.260 -9.202 -5.809 9 1HE MET 1 1HE MET 1 -16.499 -6.698 -4.892 10 2HE MET 1 2HE MET 1 -18.013 -7.152 -4.107 11 3HE MET 1 3HE MET 1 -17.947 -5.715 -5.127 12 H GLU 2 H GLU 2 -17.760 -12.754 -8.093 13 HA GLU 2 HA GLU 2 -17.560 -13.922 -10.007 14 1HB GLU 2 2HB GLU 2 -19.969 -14.385 -9.634 15 2HB GLU 2 1HB GLU 2 -20.370 -12.987 -10.622 16 1HG GLU 2 2HG GLU 2 -19.537 -14.005 -12.575 17 2HG GLU 2 1HG GLU 2 -18.729 -15.276 -11.658 18 H SER 3 H SER 3 -19.566 -11.217 -11.205 19 HA SER 3 HA SER 3 -17.579 -10.668 -13.243 20 1HB SER 3 2HB SER 3 -20.128 -9.159 -12.605 21 2HB SER 3 1HB SER 3 -19.177 -9.051 -14.089 22 HG SER 3 HG SER 3 -20.896 -11.083 -13.191 23 H ARG 4 H ARG 4 -15.787 -9.707 -12.462 24 HA ARG 4 HA ARG 4 -15.989 -7.813 -10.289 25 1HB ARG 4 2HB ARG 4 -13.493 -7.755 -10.446 26 2HB ARG 4 1HB ARG 4 -14.172 -9.342 -10.127 27 1HG ARG 4 2HG ARG 4 -13.922 -9.852 -12.559 28 2HG ARG 4 1HG ARG 4 -13.054 -8.324 -12.727 29 1HD ARG 4 2HD ARG 4 -11.440 -9.097 -11.026 30 2HD ARG 4 1HD ARG 4 -12.283 -10.643 -10.962 31 HE ARG 4 HE ARG 4 -10.919 -9.615 -13.374 32 1HH1 ARG 4 1HH1 ARG 4 -11.902 -12.257 -11.292 33 2HH1 ARG 4 2HH1 ARG 4 -11.026 -13.461 -12.181 34 1HH2 ARG 4 1HH2 ARG 4 -9.762 -11.205 -14.559 35 2HH2 ARG 4 2HH2 ARG 4 -9.803 -12.867 -14.029 36 H LEU 5 H LEU 5 -16.673 -5.885 -10.766 37 HA LEU 5 HA LEU 5 -16.366 -4.658 -13.320 38 1HB LEU 5 2HB LEU 5 -17.238 -3.435 -10.698 39 2HB LEU 5 1HB LEU 5 -17.464 -2.730 -12.288 40 HG LEU 5 HG LEU 5 -18.742 -5.290 -11.312 41 1HD1 LEU 5 1HD1 LEU 5 -19.651 -3.307 -10.216 42 2HD1 LEU 5 2HD1 LEU 5 -20.816 -4.010 -11.338 43 3HD1 LEU 5 3HD1 LEU 5 -19.925 -2.558 -11.790 44 1HD2 LEU 5 1HD2 LEU 5 -20.038 -5.187 -13.379 45 2HD2 LEU 5 2HD2 LEU 5 -18.312 -5.318 -13.722 46 3HD2 LEU 5 3HD2 LEU 5 -19.129 -3.763 -13.887 47 H LEU 6 H LEU 6 -14.653 -4.486 -10.291 48 HA LEU 6 HA LEU 6 -13.092 -2.191 -11.147 49 1HB LEU 6 2HB LEU 6 -12.934 -3.858 -8.633 50 2HB LEU 6 1HB LEU 6 -11.987 -2.417 -8.950 51 HG LEU 6 HG LEU 6 -14.996 -2.505 -8.691 52 1HD1 LEU 6 1HD1 LEU 6 -13.871 -2.886 -6.562 53 2HD1 LEU 6 2HD1 LEU 6 -14.631 -1.296 -6.596 54 3HD1 LEU 6 3HD1 LEU 6 -12.887 -1.443 -6.812 55 1HD2 LEU 6 1HD2 LEU 6 -14.265 -0.767 -10.228 56 2HD2 LEU 6 2HD2 LEU 6 -13.109 -0.176 -9.035 57 3HD2 LEU 6 3HD2 LEU 6 -14.840 -0.059 -8.718 58 H ASP 7 H ASP 7 -11.610 -2.616 -12.629 59 HA ASP 7 HA ASP 7 -10.107 -5.136 -12.475 60 1HB ASP 7 2HB ASP 7 -11.179 -4.848 -14.597 61 2HB ASP 7 1HB ASP 7 -10.572 -3.203 -14.750 62 H ILE 8 H ILE 8 -9.534 -1.695 -13.216 63 HA ILE 8 HA ILE 8 -6.690 -2.033 -13.097 64 HB ILE 8 HB ILE 8 -8.285 0.530 -13.197 65 1HG1 ILE 8 2HG1 ILE 8 -7.010 -1.065 -15.432 66 2HG1 ILE 8 1HG1 ILE 8 -8.737 -1.001 -15.094 67 1HG2 ILE 8 1HG2 ILE 8 -6.195 1.496 -14.079 68 2HG2 ILE 8 2HG2 ILE 8 -5.378 -0.039 -13.788 69 3HG2 ILE 8 3HG2 ILE 8 -6.012 0.895 -12.433 70 1HD1 ILE 8 1HD1 ILE 8 -8.109 0.448 -16.950 71 2HD1 ILE 8 2HD1 ILE 8 -7.021 1.343 -15.889 72 3HD1 ILE 8 3HD1 ILE 8 -8.760 1.374 -15.600 73 H LEU 9 H LEU 9 -8.871 0.056 -11.203 74 HA LEU 9 HA LEU 9 -8.879 0.726 -9.037 75 1HB LEU 9 2HB LEU 9 -6.793 -1.420 -8.665 76 2HB LEU 9 1HB LEU 9 -7.453 -0.458 -7.357 77 HG LEU 9 HG LEU 9 -9.055 -2.304 -9.128 78 1HD1 LEU 9 1HD1 LEU 9 -7.559 -3.551 -7.688 79 2HD1 LEU 9 2HD1 LEU 9 -9.223 -3.707 -7.123 80 3HD1 LEU 9 3HD1 LEU 9 -8.106 -2.628 -6.288 81 1HD2 LEU 9 1HD2 LEU 9 -10.858 -1.907 -7.545 82 2HD2 LEU 9 2HD2 LEU 9 -10.338 -0.392 -8.284 83 3HD2 LEU 9 3HD2 LEU 9 -9.838 -0.789 -6.640 84 H VAL 10 H VAL 10 -8.142 2.615 -8.417 85 HA VAL 10 HA VAL 10 -5.274 3.192 -8.534 86 HB VAL 10 HB VAL 10 -5.761 5.494 -9.363 87 1HG1 VAL 10 1HG1 VAL 10 -6.030 4.882 -11.721 88 2HG1 VAL 10 2HG1 VAL 10 -6.559 3.268 -11.240 89 3HG1 VAL 10 3HG1 VAL 10 -4.913 3.797 -10.892 90 1HG2 VAL 10 1HG2 VAL 10 -7.899 5.920 -10.506 91 2HG2 VAL 10 2HG2 VAL 10 -8.118 5.634 -8.779 92 3HG2 VAL 10 3HG2 VAL 10 -8.501 4.361 -9.939 93 H CYS 11 H CYS 11 -4.850 5.354 -7.356 94 HA CYS 11 HA CYS 11 -5.926 5.219 -4.740 95 1HB CYS 11 2HB CYS 11 -3.688 6.075 -5.077 96 2HB CYS 11 1HB CYS 11 -4.292 7.365 -6.110 97 HG CYS 11 HG CYS 11 -3.490 8.440 -3.620 98 HA PRO 12 HA PRO 12 -9.643 7.523 -5.477 99 1HB PRO 12 2HB PRO 12 -10.393 7.905 -2.902 100 2HB PRO 12 1HB PRO 12 -10.533 6.342 -3.715 101 1HG PRO 12 2HG PRO 12 -8.428 7.310 -1.820 102 2HG PRO 12 1HG PRO 12 -9.223 5.728 -1.896 103 1HD PRO 12 2HD PRO 12 -6.743 6.189 -2.910 104 2HD PRO 12 1HD PRO 12 -7.855 4.982 -3.588 105 H VAL 13 H VAL 13 -6.914 8.727 -3.764 106 HA VAL 13 HA VAL 13 -8.061 11.358 -3.327 107 HB VAL 13 HB VAL 13 -5.229 10.423 -2.836 108 1HG1 VAL 13 1HG1 VAL 13 -5.390 12.830 -3.042 109 2HG1 VAL 13 2HG1 VAL 13 -5.088 12.382 -1.364 110 3HG1 VAL 13 3HG1 VAL 13 -6.708 12.867 -1.871 111 1HG2 VAL 13 1HG2 VAL 13 -5.901 10.253 -0.478 112 2HG2 VAL 13 2HG2 VAL 13 -6.787 9.130 -1.510 113 3HG2 VAL 13 3HG2 VAL 13 -7.567 10.608 -0.942 114 H CYS 14 H CYS 14 -4.942 10.389 -4.793 115 HA CYS 14 HA CYS 14 -5.094 12.775 -6.464 116 1HB CYS 14 2HB CYS 14 -2.727 12.322 -6.944 117 2HB CYS 14 1HB CYS 14 -3.035 12.377 -5.211 118 HG CYS 14 HG CYS 14 -2.221 10.004 -4.635 119 H LYS 15 H LYS 15 -5.896 9.540 -6.767 120 HA LYS 15 HA LYS 15 -5.987 7.997 -8.424 121 1HB LYS 15 2HB LYS 15 -6.564 10.555 -9.916 122 2HB LYS 15 1HB LYS 15 -6.692 8.972 -10.670 123 1HG LYS 15 2HG LYS 15 -8.863 9.577 -9.992 124 2HG LYS 15 1HG LYS 15 -8.323 8.355 -8.856 125 1HD LYS 15 2HD LYS 15 -9.263 9.890 -7.436 126 2HD LYS 15 1HD LYS 15 -7.587 10.436 -7.445 127 1HE LYS 15 2HE LYS 15 -9.731 11.558 -9.236 128 2HE LYS 15 1HE LYS 15 -9.311 12.245 -7.671 129 1HZ LYS 15 1HZ LYS 15 -7.095 12.690 -8.474 130 2HZ LYS 15 2HZ LYS 15 -8.228 13.380 -9.529 131 3HZ LYS 15 3HZ LYS 15 -7.436 11.947 -9.960 132 H GLY 16 H GLY 16 -3.501 8.128 -7.810 133 1HA GLY 16 2HA GLY 16 -1.995 8.655 -10.287 134 2HA GLY 16 1HA GLY 16 -1.317 8.786 -8.673 135 H ARG 17 H ARG 17 0.238 7.316 -8.632 136 HA ARG 17 HA ARG 17 -0.125 4.759 -9.995 137 1HB ARG 17 2HB ARG 17 2.318 6.164 -8.909 138 2HB ARG 17 1HB ARG 17 2.355 4.559 -9.631 139 1HG ARG 17 2HG ARG 17 1.881 5.363 -11.750 140 2HG ARG 17 1HG ARG 17 1.211 6.874 -11.133 141 1HD ARG 17 2HD ARG 17 3.432 7.138 -12.199 142 2HD ARG 17 1HD ARG 17 3.388 7.660 -10.517 143 HE ARG 17 HE ARG 17 4.243 4.994 -10.576 144 1HH1 ARG 17 1HH1 ARG 17 5.359 8.173 -11.561 145 2HH1 ARG 17 2HH1 ARG 17 7.045 7.759 -11.419 146 1HH2 ARG 17 1HH2 ARG 17 6.446 4.448 -10.417 147 2HH2 ARG 17 2HH2 ARG 17 7.663 5.631 -10.788 148 H LEU 18 H LEU 18 -0.824 3.092 -8.825 149 HA LEU 18 HA LEU 18 0.016 2.829 -6.022 150 1HB LEU 18 2HB LEU 18 -1.984 1.258 -7.657 151 2HB LEU 18 1HB LEU 18 -1.583 0.912 -5.988 152 HG LEU 18 HG LEU 18 -2.904 3.434 -6.999 153 1HD1 LEU 18 1HD1 LEU 18 -4.401 1.547 -7.085 154 2HD1 LEU 18 2HD1 LEU 18 -4.837 2.575 -5.719 155 3HD1 LEU 18 3HD1 LEU 18 -3.955 1.073 -5.447 156 1HD2 LEU 18 1HD2 LEU 18 -2.191 2.554 -4.203 157 2HD2 LEU 18 2HD2 LEU 18 -3.208 3.938 -4.602 158 3HD2 LEU 18 3HD2 LEU 18 -1.510 3.924 -5.082 159 H GLU 19 H GLU 19 1.253 1.094 -5.319 160 HA GLU 19 HA GLU 19 2.216 -0.778 -7.363 161 1HB GLU 19 2HB GLU 19 3.870 0.769 -5.365 162 2HB GLU 19 1HB GLU 19 4.458 -0.648 -6.210 163 1HG GLU 19 2HG GLU 19 3.523 1.884 -7.527 164 2HG GLU 19 1HG GLU 19 5.205 1.453 -7.225 165 H PHE 20 H PHE 20 2.000 -2.825 -6.735 166 HA PHE 20 HA PHE 20 1.147 -3.329 -3.993 167 1HB PHE 20 2HB PHE 20 -0.155 -4.300 -5.857 168 2HB PHE 20 1HB PHE 20 1.264 -5.209 -6.365 169 HD1 PHE 20 1HD PHE 20 -1.266 -4.841 -3.712 170 HD2 PHE 20 2HD PHE 20 1.885 -7.230 -5.286 171 HE1 PHE 20 1HE PHE 20 -1.911 -6.678 -2.211 172 HE2 PHE 20 2HE PHE 20 1.240 -9.072 -3.788 173 HZ PHE 20 HZ PHE 20 -0.661 -8.797 -2.248 174 H GLN 21 H GLN 21 2.612 -3.802 -2.508 175 HA GLN 21 HA GLN 21 5.058 -5.182 -3.297 176 1HB GLN 21 2HB GLN 21 4.189 -4.004 -0.651 177 2HB GLN 21 1HB GLN 21 5.702 -4.850 -0.904 178 1HG GLN 21 2HG GLN 21 6.209 -3.130 -2.686 179 2HG GLN 21 1HG GLN 21 4.840 -2.221 -2.048 180 1HE2 GLN 21 1HE2 GLN 21 6.107 -0.522 -1.353 181 2HE2 GLN 21 2HE2 GLN 21 7.173 -0.641 -0.003 182 H ARG 22 H ARG 22 5.232 -7.315 -3.139 183 HA ARG 22 HA ARG 22 3.087 -8.873 -1.995 184 1HB ARG 22 2HB ARG 22 5.709 -9.692 -3.269 185 2HB ARG 22 1HB ARG 22 4.473 -10.823 -2.736 186 1HG ARG 22 2HG ARG 22 2.885 -9.782 -4.313 187 2HG ARG 22 1HG ARG 22 4.186 -8.741 -4.895 188 1HD ARG 22 2HD ARG 22 5.461 -10.739 -5.557 189 2HD ARG 22 1HD ARG 22 4.133 -11.759 -5.004 190 HE ARG 22 HE ARG 22 2.953 -10.079 -6.796 191 1HH1 ARG 22 1HH1 ARG 22 5.681 -12.298 -6.930 192 2HH1 ARG 22 2HH1 ARG 22 5.526 -12.587 -8.639 193 1HH2 ARG 22 1HH2 ARG 22 2.765 -10.454 -9.051 194 2HH2 ARG 22 2HH2 ARG 22 3.894 -11.514 -9.844 195 H ALA 23 H ALA 23 4.385 -7.295 -0.059 196 HA ALA 23 HA ALA 23 5.807 -9.295 1.569 197 1HB ALA 23 1HB ALA 23 7.064 -7.221 1.161 198 2HB ALA 23 2HB ALA 23 6.679 -7.422 2.871 199 3HB ALA 23 3HB ALA 23 5.754 -6.288 1.888 200 H GLN 24 H GLN 24 3.841 -6.420 2.340 201 HA GLN 24 HA GLN 24 2.406 -8.022 4.333 202 1HB GLN 24 2HB GLN 24 3.598 -5.843 4.939 203 2HB GLN 24 1HB GLN 24 2.350 -5.015 4.021 204 1HG GLN 24 2HG GLN 24 0.646 -5.897 5.510 205 2HG GLN 24 1HG GLN 24 1.876 -6.779 6.413 206 1HE2 GLN 24 1HE2 GLN 24 2.301 -3.528 5.138 207 2HE2 GLN 24 2HE2 GLN 24 2.359 -2.750 6.685 208 H ALA 25 H ALA 25 2.042 -7.486 1.246 209 HA ALA 25 HA ALA 25 0.381 -7.298 -0.279 210 1HB ALA 25 1HB ALA 25 -1.840 -8.100 0.321 211 2HB ALA 25 2HB ALA 25 -1.408 -8.058 2.030 212 3HB ALA 25 3HB ALA 25 -0.590 -9.180 0.941 213 H GLU 26 H GLU 26 0.874 -5.046 -0.393 214 HA GLU 26 HA GLU 26 -1.304 -3.334 0.513 215 1HB GLU 26 2HB GLU 26 0.468 -1.649 1.273 216 2HB GLU 26 1HB GLU 26 0.168 -3.027 2.323 217 1HG GLU 26 2HG GLU 26 2.143 -4.149 1.420 218 2HG GLU 26 1HG GLU 26 2.445 -2.767 0.372 219 H LEU 27 H LEU 27 -1.768 -1.702 -0.852 220 HA LEU 27 HA LEU 27 -0.140 -1.436 -3.274 221 1HB LEU 27 2HB LEU 27 -2.797 -0.163 -2.628 222 2HB LEU 27 1HB LEU 27 -1.997 -0.158 -4.180 223 HG LEU 27 HG LEU 27 -3.001 -2.663 -2.832 224 1HD1 LEU 27 1HD1 LEU 27 -4.262 -1.041 -5.040 225 2HD1 LEU 27 2HD1 LEU 27 -4.843 -1.130 -3.377 226 3HD1 LEU 27 3HD1 LEU 27 -4.855 -2.572 -4.393 227 1HD2 LEU 27 1HD2 LEU 27 -1.189 -3.027 -4.415 228 2HD2 LEU 27 2HD2 LEU 27 -2.052 -2.093 -5.638 229 3HD2 LEU 27 3HD2 LEU 27 -2.714 -3.625 -5.066 230 H VAL 28 H VAL 28 1.569 -0.192 -2.752 231 HA VAL 28 HA VAL 28 1.295 2.120 -1.041 232 HB VAL 28 HB VAL 28 3.687 1.193 -2.647 233 1HG1 VAL 28 1HG1 VAL 28 3.479 3.133 -0.350 234 2HG1 VAL 28 2HG1 VAL 28 3.802 3.543 -2.035 235 3HG1 VAL 28 3HG1 VAL 28 4.977 2.601 -1.116 236 1HG2 VAL 28 1HG2 VAL 28 4.486 0.239 -0.526 237 2HG2 VAL 28 2HG2 VAL 28 2.977 -0.506 -1.056 238 3HG2 VAL 28 3HG2 VAL 28 2.961 0.690 0.241 239 H CYS 29 H CYS 29 0.234 3.805 -1.906 240 HA CYS 29 HA CYS 29 0.525 4.615 -4.630 241 1HB CYS 29 2HB CYS 29 -1.457 5.248 -3.303 242 2HB CYS 29 1HB CYS 29 -0.436 6.209 -2.237 243 HG CYS 29 HG CYS 29 -1.553 8.164 -3.686 244 H ASN 30 H ASN 30 2.289 5.486 -5.471 245 HA ASN 30 HA ASN 30 4.513 6.146 -3.813 246 1HB ASN 30 2HB ASN 30 4.040 6.384 -6.784 247 2HB ASN 30 1HB ASN 30 5.543 6.895 -6.029 248 1HD2 ASN 30 1HD2 ASN 30 3.728 4.113 -4.894 249 2HD2 ASN 30 2HD2 ASN 30 4.873 2.932 -5.420 250 H ALA 31 H ALA 31 1.924 7.970 -5.153 251 HA ALA 31 HA ALA 31 3.322 10.492 -5.099 252 1HB ALA 31 1HB ALA 31 1.596 10.025 -6.786 253 2HB ALA 31 2HB ALA 31 1.223 11.457 -5.827 254 3HB ALA 31 3HB ALA 31 0.388 9.939 -5.506 255 H ASP 32 H ASP 32 0.750 8.942 -3.192 256 HA ASP 32 HA ASP 32 0.706 11.220 -1.369 257 1HB ASP 32 2HB ASP 32 -0.979 8.710 -1.274 258 2HB ASP 32 1HB ASP 32 -1.257 10.201 -0.383 259 H ARG 33 H ARG 33 2.348 8.340 -1.666 260 HA ARG 33 HA ARG 33 3.598 7.025 -0.304 261 1HB ARG 33 2HB ARG 33 3.443 9.496 1.400 262 2HB ARG 33 1HB ARG 33 4.377 8.078 1.870 263 1HG ARG 33 2HG ARG 33 5.559 8.265 -0.344 264 2HG ARG 33 1HG ARG 33 4.772 9.832 -0.536 265 1HD ARG 33 2HD ARG 33 6.480 9.076 1.813 266 2HD ARG 33 1HD ARG 33 7.086 9.923 0.393 267 HE ARG 33 HE ARG 33 5.228 10.986 2.401 268 1HH1 ARG 33 1HH1 ARG 33 7.263 11.479 -0.410 269 2HH1 ARG 33 2HH1 ARG 33 7.159 13.218 -0.335 270 1HH2 ARG 33 1HH2 ARG 33 5.125 13.247 2.540 271 2HH2 ARG 33 2HH2 ARG 33 5.938 14.221 1.349 272 H LEU 34 H LEU 34 0.901 6.545 -0.344 273 HA LEU 34 HA LEU 34 0.338 5.687 2.421 274 1HB LEU 34 2HB LEU 34 -1.543 6.649 0.275 275 2HB LEU 34 1HB LEU 34 -2.100 5.696 1.639 276 HG LEU 34 HG LEU 34 -0.601 8.272 1.994 277 1HD1 LEU 34 1HD1 LEU 34 -3.586 7.856 1.877 278 2HD1 LEU 34 2HD1 LEU 34 -2.619 8.715 0.680 279 3HD1 LEU 34 3HD1 LEU 34 -2.769 9.356 2.317 280 1HD2 LEU 34 1HD2 LEU 34 -1.675 8.214 4.201 281 2HD2 LEU 34 2HD2 LEU 34 -0.649 6.808 3.922 282 3HD2 LEU 34 3HD2 LEU 34 -2.402 6.661 3.791 283 H ALA 35 H ALA 35 0.304 3.597 2.709 284 HA ALA 35 HA ALA 35 0.110 1.829 0.376 285 1HB ALA 35 1HB ALA 35 0.979 1.212 3.200 286 2HB ALA 35 2HB ALA 35 2.053 1.533 1.840 287 3HB ALA 35 3HB ALA 35 1.029 0.098 1.834 288 H PHE 36 H PHE 36 -1.881 1.191 -0.079 289 HA PHE 36 HA PHE 36 -3.913 0.957 1.976 290 1HB PHE 36 2HB PHE 36 -4.035 0.408 -0.996 291 2HB PHE 36 1HB PHE 36 -5.417 0.419 0.092 292 HD1 PHE 36 2HD PHE 36 -6.110 2.564 1.169 293 HD2 PHE 36 1HD PHE 36 -3.151 2.408 -1.887 294 HE1 PHE 36 2HE PHE 36 -6.393 4.974 0.777 295 HE2 PHE 36 1HE PHE 36 -3.426 4.825 -2.281 296 HZ PHE 36 HZ PHE 36 -5.053 6.108 -0.947 297 HA PRO 37 HA PRO 37 -2.662 -3.287 2.613 298 1HB PRO 37 2HB PRO 37 -4.865 -3.351 4.546 299 2HB PRO 37 1HB PRO 37 -3.130 -3.530 4.823 300 1HG PRO 37 2HG PRO 37 -4.495 -1.345 5.620 301 2HG PRO 37 1HG PRO 37 -2.806 -1.259 5.083 302 1HD PRO 37 2HD PRO 37 -5.313 -0.581 3.585 303 2HD PRO 37 1HD PRO 37 -3.763 0.286 3.635 304 H VAL 38 H VAL 38 -3.275 -5.031 1.512 305 HA VAL 38 HA VAL 38 -6.022 -5.143 0.508 306 HB VAL 38 HB VAL 38 -3.627 -6.798 -0.305 307 1HG1 VAL 38 1HG1 VAL 38 -6.308 -6.488 -1.648 308 2HG1 VAL 38 2HG1 VAL 38 -5.799 -7.886 -0.702 309 3HG1 VAL 38 3HG1 VAL 38 -4.960 -7.485 -2.202 310 1HG2 VAL 38 1HG2 VAL 38 -4.876 -4.393 -1.621 311 2HG2 VAL 38 2HG2 VAL 38 -3.618 -5.407 -2.330 312 3HG2 VAL 38 3HG2 VAL 38 -3.280 -4.477 -0.868 313 H ARG 39 H ARG 39 -7.457 -6.375 1.497 314 HA ARG 39 HA ARG 39 -6.531 -8.605 3.167 315 1HB ARG 39 2HB ARG 39 -8.912 -6.834 3.209 316 2HB ARG 39 1HB ARG 39 -9.158 -8.501 3.702 317 1HG ARG 39 2HG ARG 39 -7.289 -8.191 5.344 318 2HG ARG 39 1HG ARG 39 -7.326 -6.469 4.945 319 1HD ARG 39 2HD ARG 39 -9.588 -6.277 5.687 320 2HD ARG 39 1HD ARG 39 -9.735 -8.023 5.865 321 HE ARG 39 HE ARG 39 -7.779 -6.602 7.522 322 1HH1 ARG 39 1HH1 ARG 39 -10.792 -8.369 7.237 323 2HH1 ARG 39 2HH1 ARG 39 -10.958 -8.603 8.952 324 1HH2 ARG 39 1HH2 ARG 39 -7.999 -6.901 9.769 325 2HH2 ARG 39 2HH2 ARG 39 -9.379 -7.763 10.397 326 H ASP 40 H ASP 40 -6.137 -10.053 1.466 327 HA ASP 40 HA ASP 40 -6.611 -11.698 -0.020 328 1HB ASP 40 2HB ASP 40 -7.698 -12.592 2.007 329 2HB ASP 40 1HB ASP 40 -9.204 -11.808 1.539 330 H GLY 41 H GLY 41 -6.677 -9.972 -1.676 331 1HA GLY 41 2HA GLY 41 -7.586 -9.581 -3.783 332 2HA GLY 41 1HA GLY 41 -9.084 -10.317 -3.247 333 H VAL 42 H VAL 42 -9.365 -8.599 -0.897 334 HA VAL 42 HA VAL 42 -10.422 -6.266 -2.333 335 HB VAL 42 HB VAL 42 -11.101 -7.243 0.447 336 1HG1 VAL 42 1HG1 VAL 42 -13.034 -5.739 0.255 337 2HG1 VAL 42 2HG1 VAL 42 -12.428 -5.170 -1.300 338 3HG1 VAL 42 3HG1 VAL 42 -11.508 -4.859 0.174 339 1HG2 VAL 42 1HG2 VAL 42 -13.194 -8.045 -0.543 340 2HG2 VAL 42 2HG2 VAL 42 -11.788 -8.863 -1.230 341 3HG2 VAL 42 3HG2 VAL 42 -12.603 -7.592 -2.144 342 HA PRO 43 HA PRO 43 -7.138 -3.993 -0.258 343 1HB PRO 43 2HB PRO 43 -7.757 -1.807 -2.026 344 2HB PRO 43 1HB PRO 43 -6.343 -2.860 -2.044 345 1HG PRO 43 2HG PRO 43 -8.265 -2.839 -3.998 346 2HG PRO 43 1HG PRO 43 -7.234 -4.235 -3.636 347 1HD PRO 43 2HD PRO 43 -10.059 -3.698 -2.813 348 2HD PRO 43 1HD PRO 43 -9.306 -5.222 -3.331 349 H ILE 44 H ILE 44 -7.349 -2.789 1.511 350 HA ILE 44 HA ILE 44 -9.854 -1.470 2.109 351 HB ILE 44 HB ILE 44 -7.275 -1.504 3.698 352 1HG1 ILE 44 2HG1 ILE 44 -8.151 -3.765 3.440 353 2HG1 ILE 44 1HG1 ILE 44 -8.415 -3.217 5.089 354 1HG2 ILE 44 1HG2 ILE 44 -8.703 -0.838 5.596 355 2HG2 ILE 44 2HG2 ILE 44 -10.071 -0.692 4.491 356 3HG2 ILE 44 3HG2 ILE 44 -8.676 0.372 4.313 357 1HD1 ILE 44 1HD1 ILE 44 -10.477 -3.279 2.904 358 2HD1 ILE 44 2HD1 ILE 44 -10.744 -2.734 4.560 359 3HD1 ILE 44 3HD1 ILE 44 -10.338 -4.422 4.240 360 H MET 45 H MET 45 -10.160 0.299 0.903 361 HA MET 45 HA MET 45 -7.958 2.083 0.298 362 1HB MET 45 2HB MET 45 -10.864 2.329 -0.498 363 2HB MET 45 1HB MET 45 -9.499 3.182 -1.204 364 1HG MET 45 2HG MET 45 -10.003 0.219 -1.352 365 2HG MET 45 1HG MET 45 -10.256 1.387 -2.645 366 1HE MET 45 1HE MET 45 -6.622 2.478 -3.528 367 2HE MET 45 2HE MET 45 -7.788 3.291 -2.485 368 3HE MET 45 3HE MET 45 -8.317 2.560 -4.001 369 H LEU 46 H LEU 46 -9.272 1.780 3.025 370 HA LEU 46 HA LEU 46 -10.369 4.439 3.471 371 1HB LEU 46 2HB LEU 46 -9.983 2.110 5.353 372 2HB LEU 46 1HB LEU 46 -10.743 3.631 5.782 373 HG LEU 46 HG LEU 46 -11.782 1.695 3.710 374 1HD1 LEU 46 1HD1 LEU 46 -12.707 2.268 6.522 375 2HD1 LEU 46 2HD1 LEU 46 -11.967 0.775 5.945 376 3HD1 LEU 46 3HD1 LEU 46 -13.558 1.256 5.353 377 1HD2 LEU 46 1HD2 LEU 46 -12.371 4.000 3.210 378 2HD2 LEU 46 2HD2 LEU 46 -12.976 4.217 4.853 379 3HD2 LEU 46 3HD2 LEU 46 -13.785 3.099 3.755 380 H GLU 47 H GLU 47 -9.110 6.068 3.986 381 HA GLU 47 HA GLU 47 -6.340 5.872 4.294 382 1HB GLU 47 2HB GLU 47 -7.328 7.883 3.465 383 2HB GLU 47 1HB GLU 47 -8.292 8.084 4.918 384 1HG GLU 47 2HG GLU 47 -5.392 8.039 5.358 385 2HG GLU 47 1HG GLU 47 -5.981 9.390 4.392 386 H ALA 48 H ALA 48 -8.901 6.078 6.706 387 HA ALA 48 HA ALA 48 -7.212 6.558 8.937 388 1HB ALA 48 1HB ALA 48 -9.626 7.061 8.917 389 2HB ALA 48 2HB ALA 48 -9.150 6.066 10.292 390 3HB ALA 48 3HB ALA 48 -9.963 5.329 8.914 391 H GLU 49 H GLU 49 -7.633 3.784 7.067 392 HA GLU 49 HA GLU 49 -6.540 2.112 9.227 393 1HB GLU 49 2HB GLU 49 -8.499 1.234 7.099 394 2HB GLU 49 1HB GLU 49 -7.753 0.179 8.293 395 1HG GLU 49 2HG GLU 49 -8.819 1.607 10.062 396 2HG GLU 49 1HG GLU 49 -9.708 2.411 8.773 397 H ALA 50 H ALA 50 -5.506 3.680 6.808 398 HA ALA 50 HA ALA 50 -4.199 1.496 5.345 399 1HB ALA 50 1HB ALA 50 -5.324 3.245 4.017 400 2HB ALA 50 2HB ALA 50 -3.592 3.163 3.693 401 3HB ALA 50 3HB ALA 50 -4.238 4.450 4.714 402 H ARG 51 H ARG 51 -1.894 1.697 4.889 403 HA ARG 51 HA ARG 51 -0.480 2.558 7.291 404 1HB ARG 51 2HB ARG 51 -0.026 0.298 6.523 405 2HB ARG 51 1HB ARG 51 0.398 0.892 4.923 406 1HG ARG 51 2HG ARG 51 2.306 2.109 5.935 407 2HG ARG 51 1HG ARG 51 1.907 1.365 7.485 408 1HD ARG 51 2HD ARG 51 2.275 -0.837 6.554 409 2HD ARG 51 1HD ARG 51 2.586 -0.142 4.963 410 HE ARG 51 HE ARG 51 4.315 0.829 7.078 411 1HH1 ARG 51 1HH1 ARG 51 3.857 -1.594 4.571 412 2HH1 ARG 51 2HH1 ARG 51 5.555 -1.928 4.415 413 1HH2 ARG 51 1HH2 ARG 51 6.545 0.412 6.866 414 2HH2 ARG 51 2HH2 ARG 51 7.083 -0.793 5.727 415 H SER 52 H SER 52 -0.053 4.719 7.184 416 HA SER 52 HA SER 52 0.817 5.918 4.729 417 1HB SER 52 2HB SER 52 -0.391 7.383 6.029 418 2HB SER 52 1HB SER 52 0.448 6.946 7.516 419 HG SER 52 HG SER 52 1.048 9.024 6.565 420 H LEU 53 H LEU 53 2.749 6.403 4.098 421 HA LEU 53 HA LEU 53 5.014 5.399 5.687 422 1HB LEU 53 2HB LEU 53 4.822 6.074 2.746 423 2HB LEU 53 1HB LEU 53 6.281 5.526 3.550 424 HG LEU 53 HG LEU 53 3.734 3.941 3.209 425 1HD1 LEU 53 1HD1 LEU 53 5.120 2.506 1.782 426 2HD1 LEU 53 2HD1 LEU 53 6.459 3.637 1.964 427 3HD1 LEU 53 3HD1 LEU 53 4.982 4.144 1.146 428 1HD2 LEU 53 1HD2 LEU 53 4.815 3.422 5.334 429 2HD2 LEU 53 2HD2 LEU 53 6.346 3.157 4.500 430 3HD2 LEU 53 3HD2 LEU 53 4.981 2.081 4.198 431 H ASP 54 H ASP 54 3.375 8.142 5.190 432 HA ASP 54 HA ASP 54 5.693 9.920 5.164 433 1HB ASP 54 2HB ASP 54 3.649 10.488 3.843 434 2HB ASP 54 1HB ASP 54 2.750 10.609 5.351 435 H ALA 55 H ALA 55 3.282 8.571 7.258 436 HA ALA 55 HA ALA 55 4.140 10.176 9.530 437 1HB ALA 55 1HB ALA 55 2.114 7.942 9.384 438 2HB ALA 55 2HB ALA 55 1.761 9.667 9.287 439 3HB ALA 55 3HB ALA 55 2.408 8.984 10.779 440 H GLU 56 H GLU 56 4.384 6.879 8.299 441 HA GLU 56 HA GLU 56 5.624 5.755 10.584 442 1HB GLU 56 2HB GLU 56 4.541 4.495 8.656 443 2HB GLU 56 1HB GLU 56 5.998 4.828 7.730 444 1HG GLU 56 2HG GLU 56 7.325 3.622 9.393 445 2HG GLU 56 1HG GLU 56 5.857 3.278 10.306 446 H ALA 57 H ALA 57 7.791 5.435 11.062 447 HA ALA 57 HA ALA 57 9.545 7.526 10.384 448 1HB ALA 57 1HB ALA 57 11.215 6.274 11.659 449 2HB ALA 57 2HB ALA 57 10.154 4.867 11.661 450 3HB ALA 57 3HB ALA 57 9.668 6.337 12.505 451 HA PRO 58 HA PRO 58 11.340 6.043 6.625 452 1HB PRO 58 2HB PRO 58 13.740 7.588 7.222 453 2HB PRO 58 1HB PRO 58 12.521 7.861 5.976 454 1HG PRO 58 2HG PRO 58 12.818 9.485 8.132 455 2HG PRO 58 1HG PRO 58 11.264 9.232 7.320 456 1HD PRO 58 2HD PRO 58 12.297 8.033 9.858 457 2HD PRO 58 1HD PRO 58 10.661 8.603 9.463 458 H ALA 59 H ALA 59 11.713 3.882 7.176 459 HA ALA 59 HA ALA 59 14.064 3.158 8.682 460 1HB ALA 59 1HB ALA 59 12.097 1.408 7.210 461 2HB ALA 59 2HB ALA 59 12.013 1.848 8.916 462 3HB ALA 59 3HB ALA 59 13.343 0.852 8.325 463 H GLN 60 H GLN 60 15.898 3.637 7.613 464 HA GLN 60 HA GLN 60 16.288 3.236 4.832 465 1HB GLN 60 2HB GLN 60 18.283 3.555 7.084 466 2HB GLN 60 1HB GLN 60 18.719 3.503 5.384 467 1HG GLN 60 2HG GLN 60 17.274 5.506 5.027 468 2HG GLN 60 1HG GLN 60 17.065 5.592 6.776 469 1HE2 GLN 60 1HE2 GLN 60 18.068 7.608 6.881 470 2HE2 GLN 60 2HE2 GLN 60 19.780 7.797 6.684 471 HA PRO 61 HA PRO 61 16.811 -1.151 4.778 472 1HB PRO 61 2HB PRO 61 18.527 -0.654 2.422 473 2HB PRO 61 1HB PRO 61 17.057 -1.624 2.561 474 1HG PRO 61 2HG PRO 61 17.042 0.733 1.291 475 2HG PRO 61 1HG PRO 61 15.661 0.203 2.269 476 1HD PRO 61 2HD PRO 61 17.815 2.168 2.937 477 2HD PRO 61 1HD PRO 61 16.075 2.236 3.290 478 H SER 62 H SER 62 18.111 -1.854 6.367 479 HA SER 62 HA SER 62 20.908 -1.127 6.469 480 1HB SER 62 2HB SER 62 19.415 -1.406 8.512 481 2HB SER 62 1HB SER 62 19.455 -3.140 8.202 482 HG SER 62 HG SER 62 21.484 -1.428 9.082 483 H LEU 63 H LEU 63 22.405 -2.192 5.365 484 HA LEU 63 HA LEU 63 21.684 -4.637 4.001 485 1HB LEU 63 2HB LEU 63 24.156 -2.916 3.863 486 2HB LEU 63 1HB LEU 63 23.951 -4.391 2.943 487 HG LEU 63 HG LEU 63 23.444 -2.689 1.433 488 1HD1 LEU 63 1HD1 LEU 63 20.800 -3.591 2.550 489 2HD1 LEU 63 2HD1 LEU 63 21.793 -4.461 1.382 490 3HD1 LEU 63 3HD1 LEU 63 21.073 -2.913 0.943 491 1HD2 LEU 63 1HD2 LEU 63 21.772 -1.390 3.570 492 2HD2 LEU 63 2HD2 LEU 63 21.918 -0.828 1.905 493 3HD2 LEU 63 3HD2 LEU 63 23.330 -0.832 2.962 494 H GLU 64 H GLU 64 23.317 -6.362 3.790 495 HA GLU 64 HA GLU 64 24.701 -7.967 4.536 496 1HB GLU 64 2HB GLU 64 25.517 -5.799 6.434 497 2HB GLU 64 1HB GLU 64 26.145 -7.434 6.611 498 1HG GLU 64 2HG GLU 64 26.424 -5.644 4.209 499 2HG GLU 64 1HG GLU 64 27.696 -6.106 5.342 500 H HIS 65 H HIS 65 24.087 -9.753 5.390 501 HA HIS 65 HA HIS 65 22.075 -9.919 7.395 502 1HB HIS 65 2HB HIS 65 22.400 -11.621 5.616 503 2HB HIS 65 1HB HIS 65 23.932 -12.075 6.352 504 HD1 HIS 65 1HD HIS 65 23.340 -14.427 6.993 505 HD2 HIS 65 2HD HIS 65 20.597 -11.644 8.407 506 HE1 HIS 65 1HE HIS 65 21.832 -15.698 8.550 507 HE2 HIS 65 2HE HIS 65 20.116 -14.023 9.321 508 H HIS 66 H HIS 66 25.516 -9.781 7.400 509 HA HIS 66 HA HIS 66 26.084 -10.777 9.970 510 1HB HIS 66 2HB HIS 66 27.843 -10.331 8.335 511 2HB HIS 66 1HB HIS 66 27.462 -8.616 8.352 512 HD1 HIS 66 1HD HIS 66 29.305 -7.428 9.484 513 HD2 HIS 66 2HD HIS 66 28.423 -11.052 11.342 514 HE1 HIS 66 1HE HIS 66 30.830 -7.560 11.484 515 HE2 HIS 66 2HE HIS 66 30.319 -9.781 12.571 516 H HIS 67 H HIS 67 24.991 -10.102 11.712 517 HA HIS 67 HA HIS 67 24.889 -7.217 12.255 518 1HB HIS 67 2HB HIS 67 22.616 -9.086 11.993 519 2HB HIS 67 1HB HIS 67 22.574 -8.058 13.418 520 HD1 HIS 67 1HD HIS 67 23.210 -7.477 9.682 521 HD2 HIS 67 2HD HIS 67 21.225 -5.797 12.926 522 HE1 HIS 67 1HE HIS 67 22.017 -5.459 8.775 523 HE2 HIS 67 2HE HIS 67 20.642 -4.603 10.711 524 H HIS 68 H HIS 68 25.131 -6.646 14.379 525 HA HIS 68 HA HIS 68 25.237 -8.710 16.434 526 1HB HIS 68 2HB HIS 68 27.555 -8.402 15.360 527 2HB HIS 68 1HB HIS 68 27.551 -6.796 16.077 528 HD1 HIS 68 1HD HIS 68 27.726 -10.442 16.977 529 HD2 HIS 68 2HD HIS 68 28.112 -6.723 18.809 530 HE1 HIS 68 1HE HIS 68 28.707 -10.899 19.248 531 HE2 HIS 68 2HE HIS 68 29.022 -8.633 20.309 532 H HIS 69 H HIS 69 24.830 -7.862 18.523 533 HA HIS 69 HA HIS 69 23.355 -5.424 18.553 534 1HB HIS 69 2HB HIS 69 24.357 -7.044 20.905 535 2HB HIS 69 1HB HIS 69 23.148 -5.774 20.980 536 HD1 HIS 69 1HD HIS 69 23.173 -9.136 21.366 537 HD2 HIS 69 2HD HIS 69 21.054 -6.720 18.720 538 HE1 HIS 69 1HE HIS 69 21.161 -10.485 20.672 539 HE2 HIS 69 2HE HIS 69 19.916 -9.028 19.037 540 H HIS 70 H HIS 70 25.806 -6.066 20.975 541 HA HIS 70 HA HIS 70 27.761 -4.255 20.151 542 1HB HIS 70 2HB HIS 70 27.431 -2.454 21.859 543 2HB HIS 70 1HB HIS 70 26.213 -2.451 20.594 544 HD1 HIS 70 1HD HIS 70 26.599 -3.644 24.183 545 HD2 HIS 70 2HD HIS 70 23.673 -2.370 21.525 546 HE1 HIS 70 1HE HIS 70 24.490 -3.446 25.544 547 HE2 HIS 70 2HE HIS 70 22.764 -2.535 23.944 Start of MODEL 11 1 1H MET 1 1H MET 1 -9.841 -14.017 -0.191 2 2H MET 1 2H MET 1 -9.466 -15.605 0.276 3 3H MET 1 3H MET 1 -10.246 -15.317 -1.197 4 HA MET 1 HA MET 1 -7.505 -14.461 -0.491 5 1HB MET 1 2HB MET 1 -6.719 -16.123 -2.038 6 2HB MET 1 1HB MET 1 -7.793 -16.916 -0.898 7 1HG MET 1 2HG MET 1 -8.633 -16.011 -3.640 8 2HG MET 1 1HG MET 1 -8.049 -17.632 -3.272 9 1HE MET 1 1HE MET 1 -9.402 -19.450 -1.972 10 2HE MET 1 2HE MET 1 -10.834 -19.096 -1.004 11 3HE MET 1 3HE MET 1 -9.269 -18.414 -0.554 12 H GLU 2 H GLU 2 -6.363 -14.106 -2.776 13 HA GLU 2 HA GLU 2 -7.696 -11.876 -3.961 14 1HB GLU 2 2HB GLU 2 -5.250 -13.266 -5.056 15 2HB GLU 2 1HB GLU 2 -5.732 -11.595 -5.292 16 1HG GLU 2 2HG GLU 2 -4.096 -11.301 -3.753 17 2HG GLU 2 1HG GLU 2 -5.470 -11.514 -2.670 18 H SER 3 H SER 3 -9.647 -12.981 -4.676 19 HA SER 3 HA SER 3 -9.400 -14.847 -6.886 20 1HB SER 3 2HB SER 3 -11.881 -13.612 -5.670 21 2HB SER 3 1HB SER 3 -11.830 -14.987 -6.771 22 HG SER 3 HG SER 3 -11.524 -14.938 -4.088 23 H ARG 4 H ARG 4 -9.229 -11.590 -6.592 24 HA ARG 4 HA ARG 4 -10.102 -11.192 -9.367 25 1HB ARG 4 2HB ARG 4 -10.446 -9.311 -7.023 26 2HB ARG 4 1HB ARG 4 -10.620 -8.807 -8.700 27 1HG ARG 4 2HG ARG 4 -12.476 -10.298 -9.017 28 2HG ARG 4 1HG ARG 4 -12.252 -10.982 -7.406 29 1HD ARG 4 2HD ARG 4 -12.904 -8.090 -7.956 30 2HD ARG 4 1HD ARG 4 -14.105 -9.323 -7.574 31 HE ARG 4 HE ARG 4 -12.488 -9.563 -5.480 32 1HH1 ARG 4 1HH1 ARG 4 -13.712 -6.666 -7.034 33 2HH1 ARG 4 2HH1 ARG 4 -13.742 -5.748 -5.555 34 1HH2 ARG 4 1HH2 ARG 4 -12.527 -8.342 -3.551 35 2HH2 ARG 4 2HH2 ARG 4 -13.067 -6.689 -3.590 36 H LEU 5 H LEU 5 -8.355 -10.900 -10.560 37 HA LEU 5 HA LEU 5 -5.882 -10.112 -9.280 38 1HB LEU 5 2HB LEU 5 -4.793 -10.755 -11.382 39 2HB LEU 5 1HB LEU 5 -5.790 -12.039 -10.731 40 HG LEU 5 HG LEU 5 -6.757 -10.231 -12.942 41 1HD1 LEU 5 1HD1 LEU 5 -5.316 -12.869 -13.197 42 2HD1 LEU 5 2HD1 LEU 5 -4.677 -11.293 -13.663 43 3HD1 LEU 5 3HD1 LEU 5 -6.067 -11.968 -14.514 44 1HD2 LEU 5 1HD2 LEU 5 -8.469 -11.521 -11.757 45 2HD2 LEU 5 2HD2 LEU 5 -7.569 -13.005 -12.065 46 3HD2 LEU 5 3HD2 LEU 5 -8.264 -12.102 -13.410 47 H LEU 6 H LEU 6 -6.094 -7.944 -8.892 48 HA LEU 6 HA LEU 6 -6.370 -6.169 -11.194 49 1HB LEU 6 2HB LEU 6 -6.238 -5.651 -8.226 50 2HB LEU 6 1HB LEU 6 -6.137 -4.359 -9.401 51 HG LEU 6 HG LEU 6 -8.368 -4.381 -8.647 52 1HD1 LEU 6 1HD1 LEU 6 -8.179 -4.080 -11.030 53 2HD1 LEU 6 2HD1 LEU 6 -9.653 -4.972 -10.651 54 3HD1 LEU 6 3HD1 LEU 6 -8.245 -5.824 -11.284 55 1HD2 LEU 6 1HD2 LEU 6 -8.431 -7.348 -9.181 56 2HD2 LEU 6 2HD2 LEU 6 -9.793 -6.367 -8.643 57 3HD2 LEU 6 3HD2 LEU 6 -8.390 -6.577 -7.597 58 H ASP 7 H ASP 7 -4.545 -6.053 -12.345 59 HA ASP 7 HA ASP 7 -1.953 -6.383 -11.231 60 1HB ASP 7 2HB ASP 7 -2.842 -5.307 -13.911 61 2HB ASP 7 1HB ASP 7 -1.157 -5.578 -13.473 62 H ILE 8 H ILE 8 -3.827 -3.567 -12.251 63 HA ILE 8 HA ILE 8 -2.115 -1.957 -10.490 64 HB ILE 8 HB ILE 8 -2.532 0.003 -12.028 65 1HG1 ILE 8 2HG1 ILE 8 -3.232 -2.169 -14.018 66 2HG1 ILE 8 1HG1 ILE 8 -4.386 -1.040 -13.313 67 1HG2 ILE 8 1HG2 ILE 8 -0.379 -1.105 -11.886 68 2HG2 ILE 8 2HG2 ILE 8 -0.703 -0.578 -13.537 69 3HG2 ILE 8 3HG2 ILE 8 -0.887 -2.277 -13.101 70 1HD1 ILE 8 1HD1 ILE 8 -3.226 0.818 -14.364 71 2HD1 ILE 8 2HD1 ILE 8 -3.720 -0.379 -15.562 72 3HD1 ILE 8 3HD1 ILE 8 -2.038 -0.294 -15.041 73 H LEU 9 H LEU 9 -3.290 -1.197 -8.869 74 HA LEU 9 HA LEU 9 -6.177 -0.986 -9.155 75 1HB LEU 9 2HB LEU 9 -4.794 -1.900 -7.104 76 2HB LEU 9 1HB LEU 9 -4.670 -0.203 -6.686 77 HG LEU 9 HG LEU 9 -7.312 -1.611 -7.094 78 1HD1 LEU 9 1HD1 LEU 9 -7.477 -1.724 -4.672 79 2HD1 LEU 9 2HD1 LEU 9 -5.854 -1.054 -4.515 80 3HD1 LEU 9 3HD1 LEU 9 -6.085 -2.644 -5.244 81 1HD2 LEU 9 1HD2 LEU 9 -7.423 0.805 -7.329 82 2HD2 LEU 9 2HD2 LEU 9 -6.583 1.010 -5.792 83 3HD2 LEU 9 3HD2 LEU 9 -8.196 0.297 -5.828 84 H VAL 10 H VAL 10 -7.202 0.875 -9.512 85 HA VAL 10 HA VAL 10 -5.620 3.348 -9.384 86 HB VAL 10 HB VAL 10 -7.215 4.275 -11.070 87 1HG1 VAL 10 1HG1 VAL 10 -5.042 3.444 -11.763 88 2HG1 VAL 10 2HG1 VAL 10 -6.254 3.071 -12.990 89 3HG1 VAL 10 3HG1 VAL 10 -5.689 1.808 -11.897 90 1HG2 VAL 10 1HG2 VAL 10 -9.102 2.768 -10.673 91 2HG2 VAL 10 2HG2 VAL 10 -8.156 1.413 -11.287 92 3HG2 VAL 10 3HG2 VAL 10 -8.608 2.731 -12.367 93 H CYS 11 H CYS 11 -6.373 5.044 -8.269 94 HA CYS 11 HA CYS 11 -8.518 4.636 -6.420 95 1HB CYS 11 2HB CYS 11 -6.536 5.930 -5.782 96 2HB CYS 11 1HB CYS 11 -6.889 7.111 -7.039 97 HG CYS 11 HG CYS 11 -8.074 6.905 -3.945 98 HA PRO 12 HA PRO 12 -11.655 5.913 -9.321 99 1HB PRO 12 2HB PRO 12 -13.385 6.061 -6.937 100 2HB PRO 12 1HB PRO 12 -13.549 5.065 -8.386 101 1HG PRO 12 2HG PRO 12 -12.837 4.003 -6.029 102 2HG PRO 12 1HG PRO 12 -12.183 3.400 -7.562 103 1HD PRO 12 2HD PRO 12 -10.907 5.193 -5.532 104 2HD PRO 12 1HD PRO 12 -10.196 3.862 -6.470 105 H VAL 13 H VAL 13 -10.593 7.660 -6.577 106 HA VAL 13 HA VAL 13 -12.375 9.885 -6.850 107 HB VAL 13 HB VAL 13 -9.787 9.711 -5.300 108 1HG1 VAL 13 1HG1 VAL 13 -10.508 12.004 -5.666 109 2HG1 VAL 13 2HG1 VAL 13 -10.723 11.551 -3.974 110 3HG1 VAL 13 3HG1 VAL 13 -12.115 11.612 -5.056 111 1HG2 VAL 13 1HG2 VAL 13 -12.617 9.174 -4.400 112 2HG2 VAL 13 2HG2 VAL 13 -11.196 9.210 -3.356 113 3HG2 VAL 13 3HG2 VAL 13 -11.343 7.970 -4.602 114 H CYS 14 H CYS 14 -8.875 9.443 -7.476 115 HA CYS 14 HA CYS 14 -8.987 11.906 -9.085 116 1HB CYS 14 2HB CYS 14 -6.588 10.781 -7.634 117 2HB CYS 14 1HB CYS 14 -6.682 12.323 -8.475 118 HG CYS 14 HG CYS 14 -6.658 12.790 -5.712 119 H LYS 15 H LYS 15 -8.586 8.584 -9.305 120 HA LYS 15 HA LYS 15 -7.533 7.125 -10.694 121 1HB LYS 15 2HB LYS 15 -8.046 9.415 -12.592 122 2HB LYS 15 1HB LYS 15 -7.525 7.815 -13.102 123 1HG LYS 15 2HG LYS 15 -10.053 8.381 -11.571 124 2HG LYS 15 1HG LYS 15 -9.956 8.170 -13.319 125 1HD LYS 15 2HD LYS 15 -9.103 5.906 -13.011 126 2HD LYS 15 1HD LYS 15 -9.149 6.117 -11.260 127 1HE LYS 15 2HE LYS 15 -11.079 4.852 -12.013 128 2HE LYS 15 1HE LYS 15 -11.580 6.411 -11.364 129 1HZ LYS 15 1HZ LYS 15 -11.841 7.250 -13.593 130 2HZ LYS 15 2HZ LYS 15 -12.736 5.816 -13.430 131 3HZ LYS 15 3HZ LYS 15 -11.258 5.803 -14.258 132 H GLY 16 H GLY 16 -5.685 7.915 -9.172 133 1HA GLY 16 2HA GLY 16 -3.508 9.008 -10.825 134 2HA GLY 16 1HA GLY 16 -3.655 9.287 -9.096 135 H ARG 17 H ARG 17 -1.329 8.468 -9.807 136 HA ARG 17 HA ARG 17 -0.915 5.697 -10.165 137 1HB ARG 17 2HB ARG 17 0.727 7.344 -10.837 138 2HB ARG 17 1HB ARG 17 0.893 7.906 -9.183 139 1HG ARG 17 2HG ARG 17 2.781 6.599 -9.613 140 2HG ARG 17 1HG ARG 17 1.727 5.604 -8.612 141 1HD ARG 17 2HD ARG 17 0.994 4.355 -10.528 142 2HD ARG 17 1HD ARG 17 1.876 5.428 -11.618 143 HE ARG 17 HE ARG 17 3.343 3.911 -9.585 144 1HH1 ARG 17 1HH1 ARG 17 2.622 4.502 -12.955 145 2HH1 ARG 17 2HH1 ARG 17 4.015 3.635 -13.528 146 1HH2 ARG 17 1HH2 ARG 17 5.185 2.824 -10.323 147 2HH2 ARG 17 2HH2 ARG 17 5.465 2.684 -12.035 148 H LEU 18 H LEU 18 -1.408 4.183 -8.712 149 HA LEU 18 HA LEU 18 -0.788 4.689 -5.872 150 1HB LEU 18 2HB LEU 18 -2.461 2.451 -7.026 151 2HB LEU 18 1HB LEU 18 -2.261 2.842 -5.330 152 HG LEU 18 HG LEU 18 -3.747 4.451 -7.401 153 1HD1 LEU 18 1HD1 LEU 18 -4.656 3.005 -4.916 154 2HD1 LEU 18 2HD1 LEU 18 -4.938 2.500 -6.583 155 3HD1 LEU 18 3HD1 LEU 18 -5.675 3.982 -5.977 156 1HD2 LEU 18 1HD2 LEU 18 -4.316 5.982 -5.586 157 2HD2 LEU 18 2HD2 LEU 18 -2.578 5.960 -5.893 158 3HD2 LEU 18 3HD2 LEU 18 -3.240 5.101 -4.502 159 H GLU 19 H GLU 19 0.964 3.666 -5.050 160 HA GLU 19 HA GLU 19 2.034 1.364 -6.532 161 1HB GLU 19 2HB GLU 19 3.566 3.651 -5.294 162 2HB GLU 19 1HB GLU 19 4.297 2.204 -5.963 163 1HG GLU 19 2HG GLU 19 3.336 2.756 -8.153 164 2HG GLU 19 1HG GLU 19 2.674 4.237 -7.461 165 H PHE 20 H PHE 20 2.628 -0.348 -5.361 166 HA PHE 20 HA PHE 20 2.040 -0.340 -2.533 167 1HB PHE 20 2HB PHE 20 1.437 -2.275 -3.958 168 2HB PHE 20 1HB PHE 20 3.144 -2.559 -4.278 169 HD1 PHE 20 1HD PHE 20 0.575 -2.529 -1.626 170 HD2 PHE 20 2HD PHE 20 4.475 -3.792 -2.767 171 HE1 PHE 20 1HE PHE 20 0.688 -3.965 0.366 172 HE2 PHE 20 2HE PHE 20 4.595 -5.231 -0.772 173 HZ PHE 20 HZ PHE 20 2.697 -5.317 0.797 174 H GLN 21 H GLN 21 3.536 0.833 -1.437 175 HA GLN 21 HA GLN 21 6.360 0.134 -1.784 176 1HB GLN 21 2HB GLN 21 5.020 2.464 -0.405 177 2HB GLN 21 1HB GLN 21 6.750 2.178 -0.373 178 1HG GLN 21 2HG GLN 21 6.748 2.291 -2.860 179 2HG GLN 21 1HG GLN 21 5.056 2.782 -2.776 180 1HE2 GLN 21 1HE2 GLN 21 5.450 4.769 -3.688 181 2HE2 GLN 21 2HE2 GLN 21 6.254 6.044 -2.834 182 H ARG 22 H ARG 22 7.527 -0.783 -0.125 183 HA ARG 22 HA ARG 22 5.848 -1.970 1.928 184 1HB ARG 22 2HB ARG 22 7.818 -3.457 2.339 185 2HB ARG 22 1HB ARG 22 7.117 -3.568 0.733 186 1HG ARG 22 2HG ARG 22 8.920 -2.171 -0.153 187 2HG ARG 22 1HG ARG 22 9.628 -2.070 1.463 188 1HD ARG 22 2HD ARG 22 9.795 -4.548 1.475 189 2HD ARG 22 1HD ARG 22 9.233 -4.557 -0.194 190 HE ARG 22 HE ARG 22 11.335 -2.999 -0.471 191 1HH1 ARG 22 1HH1 ARG 22 11.007 -5.870 1.512 192 2HH1 ARG 22 2HH1 ARG 22 12.671 -6.341 1.343 193 1HH2 ARG 22 1HH2 ARG 22 13.542 -3.615 -0.695 194 2HH2 ARG 22 2HH2 ARG 22 14.118 -5.061 0.077 195 H ALA 23 H ALA 23 5.708 0.141 2.995 196 HA ALA 23 HA ALA 23 7.893 0.365 4.964 197 1HB ALA 23 1HB ALA 23 5.660 2.323 4.403 198 2HB ALA 23 2HB ALA 23 7.323 2.481 3.832 199 3HB ALA 23 3HB ALA 23 6.972 2.541 5.560 200 H GLN 24 H GLN 24 4.362 0.644 4.745 201 HA GLN 24 HA GLN 24 4.134 -1.258 6.994 202 1HB GLN 24 2HB GLN 24 3.462 1.070 7.643 203 2HB GLN 24 1HB GLN 24 2.260 1.035 6.364 204 1HG GLN 24 2HG GLN 24 1.302 -1.005 7.540 205 2HG GLN 24 1HG GLN 24 2.332 -0.562 8.899 206 1HE2 GLN 24 1HE2 GLN 24 0.772 1.759 6.767 207 2HE2 GLN 24 2HE2 GLN 24 -0.305 2.393 7.966 208 H ALA 25 H ALA 25 4.122 -1.132 3.927 209 HA ALA 25 HA ALA 25 3.175 -2.178 2.169 210 1HB ALA 25 1HB ALA 25 3.041 -4.152 3.613 211 2HB ALA 25 2HB ALA 25 1.662 -4.058 2.519 212 3HB ALA 25 3HB ALA 25 1.474 -3.610 4.215 213 H GLU 26 H GLU 26 2.425 0.002 1.720 214 HA GLU 26 HA GLU 26 -0.506 0.062 1.644 215 1HB GLU 26 2HB GLU 26 -0.435 2.526 2.068 216 2HB GLU 26 1HB GLU 26 0.006 1.539 3.453 217 1HG GLU 26 2HG GLU 26 2.172 2.550 1.687 218 2HG GLU 26 1HG GLU 26 1.377 3.683 2.777 219 H LEU 27 H LEU 27 -1.413 1.343 -0.029 220 HA LEU 27 HA LEU 27 0.291 1.541 -2.382 221 1HB LEU 27 2HB LEU 27 -2.670 2.060 -2.114 222 2HB LEU 27 1HB LEU 27 -1.773 1.929 -3.612 223 HG LEU 27 HG LEU 27 -2.181 -0.328 -1.645 224 1HD1 LEU 27 1HD1 LEU 27 -4.271 0.270 -2.716 225 2HD1 LEU 27 2HD1 LEU 27 -3.668 -1.252 -3.374 226 3HD1 LEU 27 3HD1 LEU 27 -3.496 0.240 -4.301 227 1HD2 LEU 27 1HD2 LEU 27 -1.272 -1.723 -3.448 228 2HD2 LEU 27 2HD2 LEU 27 -0.100 -0.534 -2.881 229 3HD2 LEU 27 3HD2 LEU 27 -0.956 -0.273 -4.401 230 H VAL 28 H VAL 28 1.524 3.315 -2.175 231 HA VAL 28 HA VAL 28 0.660 5.746 -0.999 232 HB VAL 28 HB VAL 28 3.053 5.170 -2.754 233 1HG1 VAL 28 1HG1 VAL 28 3.990 7.253 -1.819 234 2HG1 VAL 28 2HG1 VAL 28 2.450 7.570 -1.021 235 3HG1 VAL 28 3HG1 VAL 28 2.541 7.551 -2.780 236 1HG2 VAL 28 1HG2 VAL 28 4.289 5.080 -0.656 237 2HG2 VAL 28 2HG2 VAL 28 2.992 3.884 -0.662 238 3HG2 VAL 28 3HG2 VAL 28 2.806 5.384 0.248 239 H CYS 29 H CYS 29 -0.469 7.332 -1.817 240 HA CYS 29 HA CYS 29 -0.989 7.433 -4.696 241 1HB CYS 29 2HB CYS 29 -2.283 9.133 -2.567 242 2HB CYS 29 1HB CYS 29 -2.902 8.732 -4.166 243 HG CYS 29 HG CYS 29 -2.481 5.935 -2.542 244 H ASN 30 H ASN 30 0.632 8.527 -5.674 245 HA ASN 30 HA ASN 30 2.017 10.654 -4.280 246 1HB ASN 30 2HB ASN 30 2.465 9.486 -7.039 247 2HB ASN 30 1HB ASN 30 3.506 10.678 -6.268 248 1HD2 ASN 30 1HD2 ASN 30 2.566 7.360 -6.407 249 2HD2 ASN 30 2HD2 ASN 30 3.782 6.755 -5.343 250 H ALA 31 H ALA 31 -0.443 11.513 -4.535 251 HA ALA 31 HA ALA 31 -0.085 13.842 -6.230 252 1HB ALA 31 1HB ALA 31 -2.310 13.689 -7.230 253 2HB ALA 31 2HB ALA 31 -2.569 12.135 -6.439 254 3HB ALA 31 3HB ALA 31 -1.325 12.295 -7.678 255 H ASP 32 H ASP 32 -2.689 12.291 -4.378 256 HA ASP 32 HA ASP 32 -3.303 14.763 -3.025 257 1HB ASP 32 2HB ASP 32 -4.469 11.984 -2.896 258 2HB ASP 32 1HB ASP 32 -5.006 13.281 -1.834 259 H ARG 33 H ARG 33 -0.853 12.729 -2.583 260 HA ARG 33 HA ARG 33 0.546 12.208 -0.875 261 1HB ARG 33 2HB ARG 33 -0.904 14.561 0.249 262 2HB ARG 33 1HB ARG 33 0.219 13.657 1.256 263 1HG ARG 33 2HG ARG 33 1.955 14.011 -0.511 264 2HG ARG 33 1HG ARG 33 0.820 15.109 -1.307 265 1HD ARG 33 2HD ARG 33 0.798 16.569 0.541 266 2HD ARG 33 1HD ARG 33 1.602 15.387 1.566 267 HE ARG 33 HE ARG 33 3.183 16.219 -0.690 268 1HH1 ARG 33 1HH1 ARG 33 2.205 17.020 2.568 269 2HH1 ARG 33 2HH1 ARG 33 3.683 17.851 2.955 270 1HH2 ARG 33 1HH2 ARG 33 5.140 17.332 -0.201 271 2HH2 ARG 33 2HH2 ARG 33 5.350 18.034 1.383 272 H LEU 34 H LEU 34 -1.702 10.586 -1.154 273 HA LEU 34 HA LEU 34 -2.367 9.911 1.632 274 1HB LEU 34 2HB LEU 34 -3.876 9.328 -0.914 275 2HB LEU 34 1HB LEU 34 -4.307 8.671 0.653 276 HG LEU 34 HG LEU 34 -4.263 11.609 -0.035 277 1HD1 LEU 34 1HD1 LEU 34 -6.584 9.714 0.296 278 2HD1 LEU 34 2HD1 LEU 34 -6.036 10.428 -1.221 279 3HD1 LEU 34 3HD1 LEU 34 -6.698 11.456 0.049 280 1HD2 LEU 34 1HD2 LEU 34 -5.409 11.889 2.102 281 2HD2 LEU 34 2HD2 LEU 34 -3.812 11.174 2.321 282 3HD2 LEU 34 3HD2 LEU 34 -5.253 10.161 2.416 283 H ALA 35 H ALA 35 -2.918 7.470 1.795 284 HA ALA 35 HA ALA 35 -1.495 5.724 0.004 285 1HB ALA 35 1HB ALA 35 0.345 6.505 1.416 286 2HB ALA 35 2HB ALA 35 0.007 4.796 1.692 287 3HB ALA 35 3HB ALA 35 -0.543 6.002 2.856 288 H PHE 36 H PHE 36 -2.974 4.191 -0.259 289 HA PHE 36 HA PHE 36 -4.872 3.537 1.818 290 1HB PHE 36 2HB PHE 36 -4.444 2.307 -0.918 291 2HB PHE 36 1HB PHE 36 -5.786 1.941 0.158 292 HD1 PHE 36 2HD PHE 36 -7.039 4.167 1.013 293 HD2 PHE 36 1HD PHE 36 -4.875 3.760 -2.629 294 HE1 PHE 36 2HE PHE 36 -8.328 6.023 0.043 295 HE2 PHE 36 1HE PHE 36 -6.161 5.614 -3.605 296 HZ PHE 36 HZ PHE 36 -7.891 6.749 -2.267 297 HA PRO 37 HA PRO 37 -1.934 0.584 3.433 298 1HB PRO 37 2HB PRO 37 -3.842 0.124 5.572 299 2HB PRO 37 1HB PRO 37 -2.266 0.913 5.643 300 1HG PRO 37 2HG PRO 37 -4.607 2.256 5.971 301 2HG PRO 37 1HG PRO 37 -3.145 3.000 5.298 302 1HD PRO 37 2HD PRO 37 -5.563 1.947 3.873 303 2HD PRO 37 1HD PRO 37 -4.627 3.428 3.566 304 H VAL 38 H VAL 38 -1.706 -1.551 3.128 305 HA VAL 38 HA VAL 38 -4.059 -3.110 2.411 306 HB VAL 38 HB VAL 38 -1.147 -3.939 2.421 307 1HG1 VAL 38 1HG1 VAL 38 -2.654 -5.838 2.611 308 2HG1 VAL 38 2HG1 VAL 38 -1.912 -5.796 1.012 309 3HG1 VAL 38 3HG1 VAL 38 -3.580 -5.262 1.223 310 1HG2 VAL 38 1HG2 VAL 38 -1.535 -2.147 0.833 311 2HG2 VAL 38 2HG2 VAL 38 -2.906 -3.022 0.150 312 3HG2 VAL 38 3HG2 VAL 38 -1.274 -3.672 -0.012 313 H ARG 39 H ARG 39 -5.161 -3.642 4.196 314 HA ARG 39 HA ARG 39 -3.862 -4.307 6.674 315 1HB ARG 39 2HB ARG 39 -6.091 -3.090 6.368 316 2HB ARG 39 1HB ARG 39 -6.781 -4.659 5.989 317 1HG ARG 39 2HG ARG 39 -6.185 -5.477 8.193 318 2HG ARG 39 1HG ARG 39 -5.418 -3.932 8.570 319 1HD ARG 39 2HD ARG 39 -7.579 -2.803 8.235 320 2HD ARG 39 1HD ARG 39 -8.333 -4.366 7.934 321 HE ARG 39 HE ARG 39 -7.018 -3.770 10.508 322 1HH1 ARG 39 1HH1 ARG 39 -9.796 -4.795 8.650 323 2HH1 ARG 39 2HH1 ARG 39 -10.758 -5.192 10.041 324 1HH2 ARG 39 1HH2 ARG 39 -8.285 -4.227 12.354 325 2HH2 ARG 39 2HH2 ARG 39 -9.890 -4.880 12.161 326 H ASP 40 H ASP 40 -2.612 -6.074 6.010 327 HA ASP 40 HA ASP 40 -2.053 -8.240 5.754 328 1HB ASP 40 2HB ASP 40 -3.509 -8.685 7.675 329 2HB ASP 40 1HB ASP 40 -4.900 -8.818 6.602 330 H GLY 41 H GLY 41 -5.429 -8.671 4.760 331 1HA GLY 41 2HA GLY 41 -4.457 -9.073 1.999 332 2HA GLY 41 1HA GLY 41 -5.586 -10.196 2.746 333 H VAL 42 H VAL 42 -6.174 -7.072 3.792 334 HA VAL 42 HA VAL 42 -8.201 -6.651 1.691 335 HB VAL 42 HB VAL 42 -8.529 -6.011 4.628 336 1HG1 VAL 42 1HG1 VAL 42 -10.840 -5.485 4.044 337 2HG1 VAL 42 2HG1 VAL 42 -10.488 -5.801 2.344 338 3HG1 VAL 42 3HG1 VAL 42 -9.710 -4.451 3.171 339 1HG2 VAL 42 1HG2 VAL 42 -10.219 -7.787 4.641 340 2HG2 VAL 42 2HG2 VAL 42 -8.619 -8.412 4.248 341 3HG2 VAL 42 3HG2 VAL 42 -9.811 -8.180 2.970 342 HA PRO 43 HA PRO 43 -5.800 -2.798 1.526 343 1HB PRO 43 2HB PRO 43 -7.323 -2.407 -0.947 344 2HB PRO 43 1HB PRO 43 -5.576 -2.499 -0.712 345 1HG PRO 43 2HG PRO 43 -6.962 -4.453 -1.949 346 2HG PRO 43 1HG PRO 43 -5.527 -4.789 -0.962 347 1HD PRO 43 2HD PRO 43 -8.427 -5.093 -0.262 348 2HD PRO 43 1HD PRO 43 -7.061 -6.171 0.106 349 H ILE 44 H ILE 44 -6.483 -1.045 2.583 350 HA ILE 44 HA ILE 44 -9.333 -0.597 2.896 351 HB ILE 44 HB ILE 44 -7.011 0.906 4.118 352 1HG1 ILE 44 2HG1 ILE 44 -7.033 -1.457 4.793 353 2HG1 ILE 44 1HG1 ILE 44 -7.457 -0.406 6.138 354 1HG2 ILE 44 1HG2 ILE 44 -8.691 1.700 5.735 355 2HG2 ILE 44 2HG2 ILE 44 -9.951 0.905 4.792 356 3HG2 ILE 44 3HG2 ILE 44 -9.030 2.235 4.090 357 1HD1 ILE 44 1HD1 ILE 44 -8.840 -2.412 6.078 358 2HD1 ILE 44 2HD1 ILE 44 -9.406 -1.977 4.465 359 3HD1 ILE 44 3HD1 ILE 44 -9.806 -0.954 5.845 360 H MET 45 H MET 45 -10.217 0.350 1.145 361 HA MET 45 HA MET 45 -8.831 2.451 -0.283 362 1HB MET 45 2HB MET 45 -11.582 1.256 -0.639 363 2HB MET 45 1HB MET 45 -10.877 2.464 -1.704 364 1HG MET 45 2HG MET 45 -9.713 -0.262 -1.191 365 2HG MET 45 1HG MET 45 -10.714 0.167 -2.575 366 1HE MET 45 1HE MET 45 -8.437 2.866 -4.335 367 2HE MET 45 2HE MET 45 -9.675 3.157 -3.116 368 3HE MET 45 3HE MET 45 -9.972 1.997 -4.410 369 H LEU 46 H LEU 46 -10.805 2.282 2.409 370 HA LEU 46 HA LEU 46 -12.268 4.717 2.083 371 1HB LEU 46 2HB LEU 46 -11.602 3.181 4.595 372 2HB LEU 46 1HB LEU 46 -12.803 4.452 4.457 373 HG LEU 46 HG LEU 46 -12.927 1.795 3.027 374 1HD1 LEU 46 1HD1 LEU 46 -14.447 2.805 5.427 375 2HD1 LEU 46 2HD1 LEU 46 -13.202 1.556 5.440 376 3HD1 LEU 46 3HD1 LEU 46 -14.723 1.274 4.594 377 1HD2 LEU 46 1HD2 LEU 46 -15.213 2.468 2.482 378 2HD2 LEU 46 2HD2 LEU 46 -14.036 3.595 1.805 379 3HD2 LEU 46 3HD2 LEU 46 -14.943 4.029 3.256 380 H GLU 47 H GLU 47 -11.409 6.684 2.157 381 HA GLU 47 HA GLU 47 -8.710 7.171 2.788 382 1HB GLU 47 2HB GLU 47 -10.219 8.596 1.329 383 2HB GLU 47 1HB GLU 47 -10.882 9.263 2.814 384 1HG GLU 47 2HG GLU 47 -8.377 9.732 3.381 385 2HG GLU 47 1HG GLU 47 -8.172 9.602 1.635 386 H ALA 48 H ALA 48 -11.590 7.230 4.739 387 HA ALA 48 HA ALA 48 -10.625 8.786 6.884 388 1HB ALA 48 1HB ALA 48 -12.462 7.831 8.177 389 2HB ALA 48 2HB ALA 48 -12.716 6.615 6.924 390 3HB ALA 48 3HB ALA 48 -13.000 8.319 6.568 391 H GLU 49 H GLU 49 -10.019 5.513 5.959 392 HA GLU 49 HA GLU 49 -8.675 5.031 8.540 393 1HB GLU 49 2HB GLU 49 -9.775 3.034 6.552 394 2HB GLU 49 1HB GLU 49 -8.896 2.617 8.016 395 1HG GLU 49 2HG GLU 49 -10.657 3.650 9.360 396 2HG GLU 49 1HG GLU 49 -11.538 4.050 7.888 397 H ALA 50 H ALA 50 -8.008 6.128 5.635 398 HA ALA 50 HA ALA 50 -5.625 4.521 5.131 399 1HB ALA 50 1HB ALA 50 -6.820 6.805 3.561 400 2HB ALA 50 2HB ALA 50 -6.984 5.084 3.209 401 3HB ALA 50 3HB ALA 50 -5.406 5.860 3.089 402 H ARG 51 H ARG 51 -3.546 5.566 4.922 403 HA ARG 51 HA ARG 51 -3.286 7.670 6.944 404 1HB ARG 51 2HB ARG 51 -1.017 6.949 7.252 405 2HB ARG 51 1HB ARG 51 -2.044 5.526 7.274 406 1HG ARG 51 2HG ARG 51 -1.413 5.150 4.875 407 2HG ARG 51 1HG ARG 51 -0.234 6.451 5.056 408 1HD ARG 51 2HD ARG 51 -0.324 3.811 6.500 409 2HD ARG 51 1HD ARG 51 0.921 4.401 5.403 410 HE ARG 51 HE ARG 51 0.486 5.908 7.862 411 1HH1 ARG 51 1HH1 ARG 51 2.433 3.581 6.093 412 2HH1 ARG 51 2HH1 ARG 51 3.795 3.742 7.160 413 1HH2 ARG 51 1HH2 ARG 51 2.263 6.079 9.285 414 2HH2 ARG 51 2HH2 ARG 51 3.712 5.175 8.962 415 H SER 52 H SER 52 -2.115 9.540 6.571 416 HA SER 52 HA SER 52 -1.836 10.296 3.780 417 1HB SER 52 2HB SER 52 -2.915 11.915 5.141 418 2HB SER 52 1HB SER 52 -1.644 11.844 6.353 419 HG SER 52 HG SER 52 -1.819 13.338 4.097 420 H LEU 53 H LEU 53 0.089 11.443 3.064 421 HA LEU 53 HA LEU 53 2.491 10.041 3.928 422 1HB LEU 53 2HB LEU 53 2.043 12.030 1.701 423 2HB LEU 53 1HB LEU 53 3.558 11.206 2.008 424 HG LEU 53 HG LEU 53 0.966 9.887 1.195 425 1HD1 LEU 53 1HD1 LEU 53 3.531 10.325 -0.330 426 2HD1 LEU 53 2HD1 LEU 53 2.013 11.181 -0.594 427 3HD1 LEU 53 3HD1 LEU 53 2.115 9.448 -0.908 428 1HD2 LEU 53 1HD2 LEU 53 2.303 7.848 1.002 429 2HD2 LEU 53 2HD2 LEU 53 2.301 8.455 2.658 430 3HD2 LEU 53 3HD2 LEU 53 3.712 8.706 1.629 431 H ASP 54 H ASP 54 0.893 12.894 4.649 432 HA ASP 54 HA ASP 54 3.378 14.256 5.439 433 1HB ASP 54 2HB ASP 54 1.775 15.484 3.962 434 2HB ASP 54 1HB ASP 54 0.589 15.412 5.262 435 H ALA 55 H ALA 55 0.376 12.943 6.606 436 HA ALA 55 HA ALA 55 0.812 13.965 9.297 437 1HB ALA 55 1HB ALA 55 -1.418 12.228 8.244 438 2HB ALA 55 2HB ALA 55 -1.455 13.987 8.353 439 3HB ALA 55 3HB ALA 55 -1.360 13.016 9.822 440 H GLU 56 H GLU 56 2.058 11.510 7.601 441 HA GLU 56 HA GLU 56 2.406 9.838 9.992 442 1HB GLU 56 2HB GLU 56 1.775 8.921 7.189 443 2HB GLU 56 1HB GLU 56 2.480 7.854 8.395 444 1HG GLU 56 2HG GLU 56 -0.119 9.315 8.781 445 2HG GLU 56 1HG GLU 56 0.000 7.684 8.124 446 H ALA 57 H ALA 57 4.337 8.365 9.735 447 HA ALA 57 HA ALA 57 6.447 9.785 8.246 448 1HB ALA 57 1HB ALA 57 6.686 8.255 10.837 449 2HB ALA 57 2HB ALA 57 6.702 10.010 10.664 450 3HB ALA 57 3HB ALA 57 8.009 9.046 9.978 451 HA PRO 58 HA PRO 58 7.260 6.048 5.962 452 1HB PRO 58 2HB PRO 58 10.015 6.327 5.796 453 2HB PRO 58 1HB PRO 58 8.852 7.063 4.688 454 1HG PRO 58 2HG PRO 58 10.261 8.260 7.033 455 2HG PRO 58 1HG PRO 58 9.869 8.990 5.466 456 1HD PRO 58 2HD PRO 58 8.446 9.549 7.671 457 2HD PRO 58 1HD PRO 58 7.676 9.426 6.075 458 H ALA 59 H ALA 59 7.441 4.033 6.691 459 HA ALA 59 HA ALA 59 8.496 3.636 9.363 460 1HB ALA 59 1HB ALA 59 7.060 1.681 7.575 461 2HB ALA 59 2HB ALA 59 6.286 2.734 8.759 462 3HB ALA 59 3HB ALA 59 7.405 1.480 9.292 463 H GLN 60 H GLN 60 9.882 1.863 9.890 464 HA GLN 60 HA GLN 60 12.020 1.533 7.960 465 1HB GLN 60 2HB GLN 60 11.733 0.689 10.852 466 2HB GLN 60 1HB GLN 60 13.150 0.339 9.876 467 1HG GLN 60 2HG GLN 60 13.645 2.232 11.211 468 2HG GLN 60 1HG GLN 60 13.453 2.788 9.554 469 1HE2 GLN 60 1HE2 GLN 60 13.049 4.882 10.189 470 2HE2 GLN 60 2HE2 GLN 60 11.557 5.363 10.927 471 HA PRO 61 HA PRO 61 10.540 -2.410 6.608 472 1HB PRO 61 2HB PRO 61 12.814 -3.356 5.473 473 2HB PRO 61 1HB PRO 61 11.841 -2.078 4.734 474 1HG PRO 61 2HG PRO 61 14.350 -1.852 6.353 475 2HG PRO 61 1HG PRO 61 13.891 -0.990 4.874 476 1HD PRO 61 2HD PRO 61 13.682 0.113 7.344 477 2HD PRO 61 1HD PRO 61 12.589 0.528 6.008 478 H SER 62 H SER 62 10.613 -4.594 7.203 479 HA SER 62 HA SER 62 11.868 -5.160 9.715 480 1HB SER 62 2HB SER 62 9.607 -6.050 8.933 481 2HB SER 62 1HB SER 62 10.505 -7.152 7.888 482 HG SER 62 HG SER 62 9.888 -7.506 10.414 483 H LEU 63 H LEU 63 13.843 -5.968 10.013 484 HA LEU 63 HA LEU 63 15.494 -6.573 7.744 485 1HB LEU 63 2HB LEU 63 16.082 -6.785 10.700 486 2HB LEU 63 1HB LEU 63 17.271 -6.906 9.416 487 HG LEU 63 HG LEU 63 15.632 -4.452 10.067 488 1HD1 LEU 63 1HD1 LEU 63 17.323 -4.909 11.752 489 2HD1 LEU 63 2HD1 LEU 63 17.773 -3.504 10.782 490 3HD1 LEU 63 3HD1 LEU 63 18.553 -5.060 10.496 491 1HD2 LEU 63 1HD2 LEU 63 17.819 -4.890 8.036 492 2HD2 LEU 63 2HD2 LEU 63 17.093 -3.335 8.440 493 3HD2 LEU 63 3HD2 LEU 63 16.114 -4.596 7.692 494 H GLU 64 H GLU 64 15.273 -8.447 6.749 495 HA GLU 64 HA GLU 64 14.298 -10.826 7.875 496 1HB GLU 64 2HB GLU 64 16.026 -10.394 5.439 497 2HB GLU 64 1HB GLU 64 15.276 -11.926 5.857 498 1HG GLU 64 2HG GLU 64 13.065 -10.860 5.682 499 2HG GLU 64 1HG GLU 64 13.855 -9.363 5.183 500 H HIS 65 H HIS 65 15.285 -12.597 8.751 501 HA HIS 65 HA HIS 65 18.201 -12.406 9.143 502 1HB HIS 65 2HB HIS 65 16.132 -13.527 11.044 503 2HB HIS 65 1HB HIS 65 17.872 -13.662 11.272 504 HD1 HIS 65 1HD HIS 65 19.172 -11.369 11.697 505 HD2 HIS 65 2HD HIS 65 15.017 -11.161 11.875 506 HE1 HIS 65 1HE HIS 65 18.648 -9.186 12.830 507 HE2 HIS 65 2HE HIS 65 16.133 -9.011 12.794 508 H HIS 66 H HIS 66 19.130 -13.809 7.845 509 HA HIS 66 HA HIS 66 17.731 -16.308 7.224 510 1HB HIS 66 2HB HIS 66 20.094 -15.018 5.839 511 2HB HIS 66 1HB HIS 66 19.291 -16.498 5.327 512 HD1 HIS 66 1HD HIS 66 16.960 -16.254 4.206 513 HD2 HIS 66 2HD HIS 66 18.817 -12.651 5.128 514 HE1 HIS 66 1HE HIS 66 15.670 -14.491 2.962 515 HE2 HIS 66 2HE HIS 66 16.974 -12.373 3.337 516 H HIS 67 H HIS 67 18.509 -18.232 7.873 517 HA HIS 67 HA HIS 67 20.719 -18.353 9.667 518 1HB HIS 67 2HB HIS 67 18.729 -19.899 9.700 519 2HB HIS 67 1HB HIS 67 19.371 -20.658 8.249 520 HD1 HIS 67 1HD HIS 67 20.139 -20.202 11.909 521 HD2 HIS 67 2HD HIS 67 21.381 -22.508 8.682 522 HE1 HIS 67 1HE HIS 67 21.630 -21.978 12.878 523 HE2 HIS 67 2HE HIS 67 22.568 -23.187 10.878 524 H HIS 68 H HIS 68 20.182 -19.218 6.297 525 HA HIS 68 HA HIS 68 22.908 -19.965 5.806 526 1HB HIS 68 2HB HIS 68 20.623 -20.417 4.451 527 2HB HIS 68 1HB HIS 68 21.174 -18.988 3.587 528 HD1 HIS 68 1HD HIS 68 21.119 -22.305 2.930 529 HD2 HIS 68 2HD HIS 68 24.308 -19.644 3.216 530 HE1 HIS 68 1HE HIS 68 23.011 -23.366 1.656 531 HE2 HIS 68 2HE HIS 68 24.943 -21.764 1.869 532 H HIS 69 H HIS 69 24.538 -18.671 4.984 533 HA HIS 69 HA HIS 69 24.566 -16.027 5.872 534 1HB HIS 69 2HB HIS 69 26.548 -17.591 5.396 535 2HB HIS 69 1HB HIS 69 26.416 -17.045 3.726 536 HD1 HIS 69 1HD HIS 69 27.975 -16.219 6.869 537 HD2 HIS 69 2HD HIS 69 26.689 -14.095 3.533 538 HE1 HIS 69 1HE HIS 69 29.127 -13.989 7.001 539 HE2 HIS 69 2HE HIS 69 28.133 -12.642 5.115 540 H HIS 70 H HIS 70 23.891 -14.198 5.078 541 HA HIS 70 HA HIS 70 23.301 -12.526 3.674 542 1HB HIS 70 2HB HIS 70 25.291 -13.131 2.327 543 2HB HIS 70 1HB HIS 70 24.305 -14.268 1.414 544 HD1 HIS 70 1HD HIS 70 22.919 -13.344 -0.485 545 HD2 HIS 70 2HD HIS 70 24.626 -10.376 1.872 546 HE1 HIS 70 1HE HIS 70 22.486 -11.183 -1.696 547 HE2 HIS 70 2HE HIS 70 23.345 -9.395 -0.144 Start of MODEL 12 1 1H MET 1 1H MET 1 -12.566 -9.861 -18.226 2 2H MET 1 2H MET 1 -11.492 -8.828 -17.425 3 3H MET 1 3H MET 1 -10.913 -10.237 -18.161 4 HA MET 1 HA MET 1 -10.394 -8.265 -19.444 5 1HB MET 1 2HB MET 1 -11.368 -9.041 -21.614 6 2HB MET 1 1HB MET 1 -10.575 -10.300 -20.680 7 1HG MET 1 2HG MET 1 -12.785 -11.074 -19.905 8 2HG MET 1 1HG MET 1 -13.542 -9.846 -20.916 9 1HE MET 1 1HE MET 1 -11.112 -13.415 -22.552 10 2HE MET 1 2HE MET 1 -11.417 -13.129 -20.837 11 3HE MET 1 3HE MET 1 -10.362 -12.043 -21.740 12 H GLU 2 H GLU 2 -13.931 -8.840 -19.541 13 HA GLU 2 HA GLU 2 -14.273 -5.941 -19.858 14 1HB GLU 2 2HB GLU 2 -15.455 -7.381 -21.500 15 2HB GLU 2 1HB GLU 2 -16.315 -8.160 -20.178 16 1HG GLU 2 2HG GLU 2 -17.360 -6.036 -19.598 17 2HG GLU 2 1HG GLU 2 -16.487 -5.245 -20.910 18 H SER 3 H SER 3 -13.954 -5.261 -17.789 19 HA SER 3 HA SER 3 -16.003 -5.793 -15.856 20 1HB SER 3 2HB SER 3 -14.060 -6.493 -14.175 21 2HB SER 3 1HB SER 3 -14.899 -7.694 -15.156 22 HG SER 3 HG SER 3 -12.280 -6.906 -15.220 23 H ARG 4 H ARG 4 -16.383 -3.909 -14.944 24 HA ARG 4 HA ARG 4 -14.122 -2.130 -14.343 25 1HB ARG 4 2HB ARG 4 -15.088 -1.235 -16.358 26 2HB ARG 4 1HB ARG 4 -16.713 -1.365 -15.704 27 1HG ARG 4 2HG ARG 4 -16.287 0.389 -14.133 28 2HG ARG 4 1HG ARG 4 -14.582 0.438 -14.583 29 1HD ARG 4 2HD ARG 4 -15.069 1.309 -16.722 30 2HD ARG 4 1HD ARG 4 -16.786 0.942 -16.563 31 HE ARG 4 HE ARG 4 -16.809 2.689 -14.776 32 1HH1 ARG 4 1HH1 ARG 4 -14.358 2.755 -17.286 33 2HH1 ARG 4 2HH1 ARG 4 -14.164 4.477 -17.223 34 1HH2 ARG 4 1HH2 ARG 4 -16.559 4.955 -14.713 35 2HH2 ARG 4 2HH2 ARG 4 -15.406 5.728 -15.760 36 H LEU 5 H LEU 5 -14.177 -2.635 -12.184 37 HA LEU 5 HA LEU 5 -16.597 -1.780 -10.731 38 1HB LEU 5 2HB LEU 5 -14.634 -3.954 -9.966 39 2HB LEU 5 1HB LEU 5 -15.900 -3.351 -8.918 40 HG LEU 5 HG LEU 5 -17.510 -4.100 -10.808 41 1HD1 LEU 5 1HD1 LEU 5 -16.719 -6.000 -12.115 42 2HD1 LEU 5 2HD1 LEU 5 -15.096 -5.792 -11.458 43 3HD1 LEU 5 3HD1 LEU 5 -15.793 -4.547 -12.495 44 1HD2 LEU 5 1HD2 LEU 5 -17.590 -6.362 -9.848 45 2HD2 LEU 5 2HD2 LEU 5 -17.438 -5.113 -8.613 46 3HD2 LEU 5 3HD2 LEU 5 -16.032 -6.073 -9.073 47 H LEU 6 H LEU 6 -16.171 0.153 -9.886 48 HA LEU 6 HA LEU 6 -15.135 1.882 -8.837 49 1HB LEU 6 2HB LEU 6 -13.675 -0.426 -7.557 50 2HB LEU 6 1HB LEU 6 -13.375 1.238 -7.105 51 HG LEU 6 HG LEU 6 -14.840 0.367 -5.478 52 1HD1 LEU 6 1HD1 LEU 6 -16.497 1.944 -7.440 53 2HD1 LEU 6 2HD1 LEU 6 -15.423 2.605 -6.207 54 3HD1 LEU 6 3HD1 LEU 6 -16.864 1.708 -5.730 55 1HD2 LEU 6 1HD2 LEU 6 -15.597 -1.621 -6.660 56 2HD2 LEU 6 2HD2 LEU 6 -16.609 -0.629 -7.710 57 3HD2 LEU 6 3HD2 LEU 6 -16.963 -0.733 -5.985 58 H ASP 7 H ASP 7 -14.289 1.277 -11.388 59 HA ASP 7 HA ASP 7 -11.447 0.932 -11.585 60 1HB ASP 7 2HB ASP 7 -13.182 0.128 -13.236 61 2HB ASP 7 1HB ASP 7 -13.393 1.801 -13.729 62 H ILE 8 H ILE 8 -13.350 3.575 -10.873 63 HA ILE 8 HA ILE 8 -11.405 5.465 -12.015 64 HB ILE 8 HB ILE 8 -13.379 7.138 -11.662 65 1HG1 ILE 8 2HG1 ILE 8 -15.572 5.998 -12.244 66 2HG1 ILE 8 1HG1 ILE 8 -14.802 4.475 -11.822 67 1HG2 ILE 8 1HG2 ILE 8 -14.085 6.755 -13.956 68 2HG2 ILE 8 2HG2 ILE 8 -13.357 5.150 -13.920 69 3HG2 ILE 8 3HG2 ILE 8 -12.337 6.584 -13.794 70 1HD1 ILE 8 1HD1 ILE 8 -16.151 5.283 -9.995 71 2HD1 ILE 8 2HD1 ILE 8 -15.266 6.809 -9.981 72 3HD1 ILE 8 3HD1 ILE 8 -14.445 5.309 -9.546 73 H LEU 9 H LEU 9 -11.352 4.092 -9.369 74 HA LEU 9 HA LEU 9 -12.014 6.001 -7.366 75 1HB LEU 9 2HB LEU 9 -10.234 3.581 -7.355 76 2HB LEU 9 1HB LEU 9 -10.421 4.602 -5.944 77 HG LEU 9 HG LEU 9 -12.607 3.028 -7.309 78 1HD1 LEU 9 1HD1 LEU 9 -12.647 1.748 -5.230 79 2HD1 LEU 9 2HD1 LEU 9 -11.302 2.702 -4.608 80 3HD1 LEU 9 3HD1 LEU 9 -11.066 1.653 -6.005 81 1HD2 LEU 9 1HD2 LEU 9 -13.463 5.138 -6.441 82 2HD2 LEU 9 2HD2 LEU 9 -12.723 4.805 -4.873 83 3HD2 LEU 9 3HD2 LEU 9 -14.031 3.781 -5.470 84 H VAL 10 H VAL 10 -10.957 7.719 -6.667 85 HA VAL 10 HA VAL 10 -8.091 7.985 -7.289 86 HB VAL 10 HB VAL 10 -8.420 10.446 -7.405 87 1HG1 VAL 10 1HG1 VAL 10 -9.419 10.500 -9.640 88 2HG1 VAL 10 2HG1 VAL 10 -10.026 8.861 -9.403 89 3HG1 VAL 10 3HG1 VAL 10 -8.288 9.161 -9.456 90 1HG2 VAL 10 1HG2 VAL 10 -10.663 11.365 -7.702 91 2HG2 VAL 10 2HG2 VAL 10 -10.495 10.601 -6.121 92 3HG2 VAL 10 3HG2 VAL 10 -11.363 9.773 -7.414 93 H CYS 11 H CYS 11 -6.834 9.102 -5.742 94 HA CYS 11 HA CYS 11 -7.448 8.677 -3.043 95 1HB CYS 11 2HB CYS 11 -5.157 8.913 -3.789 96 2HB CYS 11 1HB CYS 11 -5.468 10.551 -4.354 97 HG CYS 11 HG CYS 11 -4.317 9.616 -1.479 98 HA PRO 12 HA PRO 12 -10.403 11.944 -2.397 99 1HB PRO 12 2HB PRO 12 -10.276 11.944 0.352 100 2HB PRO 12 1HB PRO 12 -11.237 10.814 -0.605 101 1HG PRO 12 2HG PRO 12 -8.542 10.429 0.636 102 2HG PRO 12 1HG PRO 12 -9.909 9.303 0.555 103 1HD PRO 12 2HD PRO 12 -7.795 9.078 -1.081 104 2HD PRO 12 1HD PRO 12 -9.444 8.703 -1.633 105 H VAL 13 H VAL 13 -7.150 11.993 -1.128 106 HA VAL 13 HA VAL 13 -7.406 14.763 -0.273 107 HB VAL 13 HB VAL 13 -4.954 13.005 -0.194 108 1HG1 VAL 13 1HG1 VAL 13 -4.152 14.609 1.475 109 2HG1 VAL 13 2HG1 VAL 13 -5.596 15.588 1.221 110 3HG1 VAL 13 3HG1 VAL 13 -4.436 15.372 -0.089 111 1HG2 VAL 13 1HG2 VAL 13 -6.776 12.038 1.123 112 2HG2 VAL 13 2HG2 VAL 13 -6.956 13.562 1.993 113 3HG2 VAL 13 3HG2 VAL 13 -5.470 12.625 2.151 114 H CYS 14 H CYS 14 -5.006 13.046 -2.310 115 HA CYS 14 HA CYS 14 -4.403 15.608 -3.578 116 1HB CYS 14 2HB CYS 14 -2.603 14.127 -2.642 117 2HB CYS 14 1HB CYS 14 -2.978 12.967 -3.910 118 HG CYS 14 HG CYS 14 -2.140 16.154 -4.748 119 H LYS 15 H LYS 15 -6.666 13.453 -4.161 120 HA LYS 15 HA LYS 15 -7.808 12.612 -5.917 121 1HB LYS 15 2HB LYS 15 -6.720 15.194 -6.977 122 2HB LYS 15 1HB LYS 15 -7.704 14.157 -7.999 123 1HG LYS 15 2HG LYS 15 -9.041 15.872 -6.959 124 2HG LYS 15 1HG LYS 15 -9.530 14.281 -6.398 125 1HD LYS 15 2HD LYS 15 -8.219 14.647 -4.340 126 2HD LYS 15 1HD LYS 15 -7.805 16.264 -4.914 127 1HE LYS 15 2HE LYS 15 -10.159 16.877 -4.926 128 2HE LYS 15 1HE LYS 15 -10.599 15.252 -4.403 129 1HZ LYS 15 1HZ LYS 15 -9.008 17.229 -2.854 130 2HZ LYS 15 2HZ LYS 15 -9.324 15.638 -2.358 131 3HZ LYS 15 3HZ LYS 15 -10.600 16.735 -2.532 132 H GLY 16 H GLY 16 -4.966 11.777 -5.621 133 1HA GLY 16 2HA GLY 16 -3.924 11.287 -8.221 134 2HA GLY 16 1HA GLY 16 -3.432 10.481 -6.737 135 H ARG 17 H ARG 17 -4.674 9.946 -9.685 136 HA ARG 17 HA ARG 17 -6.805 8.168 -9.271 137 1HB ARG 17 2HB ARG 17 -6.041 9.242 -11.442 138 2HB ARG 17 1HB ARG 17 -4.780 8.023 -11.502 139 1HG ARG 17 2HG ARG 17 -6.407 6.264 -11.669 140 2HG ARG 17 1HG ARG 17 -7.726 7.415 -11.429 141 1HD ARG 17 2HD ARG 17 -6.940 8.594 -13.499 142 2HD ARG 17 1HD ARG 17 -5.834 7.251 -13.768 143 HE ARG 17 HE ARG 17 -7.916 5.826 -13.810 144 1HH1 ARG 17 1HH1 ARG 17 -7.968 9.236 -14.667 145 2HH1 ARG 17 2HH1 ARG 17 -9.338 9.069 -15.740 146 1HH2 ARG 17 1HH2 ARG 17 -9.708 5.625 -15.244 147 2HH2 ARG 17 2HH2 ARG 17 -10.301 7.038 -16.063 148 H LEU 18 H LEU 18 -6.855 6.194 -8.426 149 HA LEU 18 HA LEU 18 -4.447 4.993 -7.441 150 1HB LEU 18 2HB LEU 18 -7.264 3.900 -7.471 151 2HB LEU 18 1HB LEU 18 -5.929 3.275 -6.524 152 HG LEU 18 HG LEU 18 -7.256 5.965 -6.172 153 1HD1 LEU 18 1HD1 LEU 18 -8.621 4.135 -5.356 154 2HD1 LEU 18 2HD1 LEU 18 -7.950 5.045 -4.003 155 3HD1 LEU 18 3HD1 LEU 18 -7.253 3.489 -4.452 156 1HD2 LEU 18 1HD2 LEU 18 -5.808 6.161 -4.181 157 2HD2 LEU 18 2HD2 LEU 18 -4.900 6.158 -5.693 158 3HD2 LEU 18 3HD2 LEU 18 -4.951 4.707 -4.693 159 H GLU 19 H GLU 19 -3.706 2.852 -7.920 160 HA GLU 19 HA GLU 19 -4.509 1.890 -10.581 161 1HB GLU 19 2HB GLU 19 -2.067 3.050 -9.981 162 2HB GLU 19 1HB GLU 19 -1.730 1.327 -9.895 163 1HG GLU 19 2HG GLU 19 -3.014 2.711 -12.237 164 2HG GLU 19 1HG GLU 19 -1.303 2.308 -12.116 165 H PHE 20 H PHE 20 -5.140 -0.131 -10.574 166 HA PHE 20 HA PHE 20 -4.911 -1.656 -8.112 167 1HB PHE 20 2HB PHE 20 -7.117 -1.435 -9.147 168 2HB PHE 20 1HB PHE 20 -6.513 -2.165 -10.629 169 HD1 PHE 20 1HD PHE 20 -7.263 -2.814 -7.074 170 HD2 PHE 20 2HD PHE 20 -6.424 -4.495 -10.887 171 HE1 PHE 20 1HE PHE 20 -7.906 -5.033 -6.231 172 HE2 PHE 20 2HE PHE 20 -7.067 -6.720 -10.054 173 HZ PHE 20 HZ PHE 20 -7.810 -6.990 -7.723 174 H GLN 21 H GLN 21 -3.138 -2.867 -7.887 175 HA GLN 21 HA GLN 21 -1.845 -4.034 -10.195 176 1HB GLN 21 2HB GLN 21 -1.232 -4.174 -7.241 177 2HB GLN 21 1HB GLN 21 -0.291 -5.007 -8.467 178 1HG GLN 21 2HG GLN 21 0.114 -2.782 -9.539 179 2HG GLN 21 1HG GLN 21 -0.642 -2.044 -8.129 180 1HE2 GLN 21 1HE2 GLN 21 2.084 -1.802 -9.144 181 2HE2 GLN 21 2HE2 GLN 21 3.133 -2.289 -7.857 182 H ARG 22 H ARG 22 -1.709 -6.203 -10.669 183 HA ARG 22 HA ARG 22 -4.022 -7.720 -9.726 184 1HB ARG 22 2HB ARG 22 -3.634 -9.154 -11.657 185 2HB ARG 22 1HB ARG 22 -3.660 -7.467 -12.153 186 1HG ARG 22 2HG ARG 22 -1.131 -7.539 -12.020 187 2HG ARG 22 1HG ARG 22 -1.295 -9.292 -11.890 188 1HD ARG 22 2HD ARG 22 -2.308 -7.569 -14.147 189 2HD ARG 22 1HD ARG 22 -0.892 -8.616 -14.195 190 HE ARG 22 HE ARG 22 -2.940 -10.289 -13.511 191 1HH1 ARG 22 1HH1 ARG 22 -2.400 -8.008 -16.118 192 2HH1 ARG 22 2HH1 ARG 22 -3.264 -8.952 -17.300 193 1HH2 ARG 22 1HH2 ARG 22 -4.137 -11.503 -15.039 194 2HH2 ARG 22 2HH2 ARG 22 -4.275 -10.933 -16.678 195 H ALA 23 H ALA 23 -1.148 -7.324 -8.514 196 HA ALA 23 HA ALA 23 -0.115 -9.985 -8.338 197 1HB ALA 23 1HB ALA 23 0.550 -7.545 -6.697 198 2HB ALA 23 2HB ALA 23 1.349 -8.035 -8.192 199 3HB ALA 23 3HB ALA 23 1.476 -9.044 -6.751 200 H GLN 24 H GLN 24 -1.077 -7.870 -5.615 201 HA GLN 24 HA GLN 24 -2.399 -10.229 -4.433 202 1HB GLN 24 2HB GLN 24 -0.911 -7.956 -3.137 203 2HB GLN 24 1HB GLN 24 -2.066 -8.920 -2.233 204 1HG GLN 24 2HG GLN 24 -0.089 -9.959 -1.724 205 2HG GLN 24 1HG GLN 24 -0.661 -10.930 -3.077 206 1HE2 GLN 24 1HE2 GLN 24 1.651 -8.582 -2.003 207 2HE2 GLN 24 2HE2 GLN 24 2.733 -8.724 -3.350 208 H ALA 25 H ALA 25 -3.151 -7.698 -6.137 209 HA ALA 25 HA ALA 25 -5.083 -6.606 -6.584 210 1HB ALA 25 1HB ALA 25 -6.211 -8.690 -5.933 211 2HB ALA 25 2HB ALA 25 -7.149 -7.256 -5.517 212 3HB ALA 25 3HB ALA 25 -6.264 -8.123 -4.263 213 H GLU 26 H GLU 26 -3.195 -5.248 -5.251 214 HA GLU 26 HA GLU 26 -4.716 -3.668 -3.290 215 1HB GLU 26 2HB GLU 26 -2.517 -2.662 -2.685 216 2HB GLU 26 1HB GLU 26 -2.609 -4.390 -2.375 217 1HG GLU 26 2HG GLU 26 -1.449 -3.388 -4.937 218 2HG GLU 26 1HG GLU 26 -0.487 -3.358 -3.462 219 H LEU 27 H LEU 27 -4.919 -1.437 -3.530 220 HA LEU 27 HA LEU 27 -4.484 -0.480 -6.273 221 1HB LEU 27 2HB LEU 27 -6.120 0.820 -4.094 222 2HB LEU 27 1HB LEU 27 -6.072 1.281 -5.780 223 HG LEU 27 HG LEU 27 -6.968 -1.171 -6.159 224 1HD1 LEU 27 1HD1 LEU 27 -7.892 -0.574 -3.350 225 2HD1 LEU 27 2HD1 LEU 27 -6.795 -1.867 -3.831 226 3HD1 LEU 27 3HD1 LEU 27 -8.474 -1.889 -4.371 227 1HD2 LEU 27 1HD2 LEU 27 -8.677 1.103 -5.155 228 2HD2 LEU 27 2HD2 LEU 27 -9.256 -0.295 -6.059 229 3HD2 LEU 27 3HD2 LEU 27 -8.144 0.845 -6.817 230 H VAL 28 H VAL 28 -2.595 0.475 -6.526 231 HA VAL 28 HA VAL 28 -1.238 1.636 -4.241 232 HB VAL 28 HB VAL 28 -0.278 1.365 -7.095 233 1HG1 VAL 28 1HG1 VAL 28 0.930 3.078 -5.868 234 2HG1 VAL 28 2HG1 VAL 28 1.959 1.668 -6.123 235 3HG1 VAL 28 3HG1 VAL 28 1.223 1.952 -4.544 236 1HG2 VAL 28 1HG2 VAL 28 0.197 -0.403 -4.699 237 2HG2 VAL 28 2HG2 VAL 28 0.995 -0.567 -6.264 238 3HG2 VAL 28 3HG2 VAL 28 -0.746 -0.810 -6.131 239 H CYS 29 H CYS 29 -1.405 3.687 -3.715 240 HA CYS 29 HA CYS 29 -2.270 5.736 -5.515 241 1HB CYS 29 2HB CYS 29 -0.788 6.066 -2.893 242 2HB CYS 29 1HB CYS 29 -1.779 7.270 -3.710 243 HG CYS 29 HG CYS 29 -2.888 4.427 -2.159 244 H ASN 30 H ASN 30 -0.989 6.229 -7.203 245 HA ASN 30 HA ASN 30 1.806 5.649 -7.173 246 1HB ASN 30 2HB ASN 30 -0.002 6.933 -9.215 247 2HB ASN 30 1HB ASN 30 1.724 6.708 -9.488 248 1HD2 ASN 30 1HD2 ASN 30 -0.706 5.548 -10.772 249 2HD2 ASN 30 2HD2 ASN 30 -0.455 3.839 -10.711 250 H ALA 31 H ALA 31 0.746 7.812 -5.372 251 HA ALA 31 HA ALA 31 2.535 9.981 -6.223 252 1HB ALA 31 1HB ALA 31 1.426 11.348 -4.517 253 2HB ALA 31 2HB ALA 31 0.433 9.965 -4.054 254 3HB ALA 31 3HB ALA 31 0.256 10.679 -5.657 255 H ASP 32 H ASP 32 1.545 8.606 -3.095 256 HA ASP 32 HA ASP 32 4.282 8.815 -2.115 257 1HB ASP 32 2HB ASP 32 1.713 8.084 -0.696 258 2HB ASP 32 1HB ASP 32 3.281 8.249 0.084 259 H ARG 33 H ARG 33 2.711 6.617 -3.844 260 HA ARG 33 HA ARG 33 2.922 4.408 -4.268 261 1HB ARG 33 2HB ARG 33 5.410 4.828 -2.638 262 2HB ARG 33 1HB ARG 33 5.012 3.287 -3.397 263 1HG ARG 33 2HG ARG 33 4.853 4.479 -5.574 264 2HG ARG 33 1HG ARG 33 5.450 5.928 -4.763 265 1HD ARG 33 2HD ARG 33 6.906 3.310 -4.760 266 2HD ARG 33 1HD ARG 33 7.172 4.558 -5.975 267 HE ARG 33 HE ARG 33 7.850 4.727 -3.112 268 1HH1 ARG 33 1HH1 ARG 33 7.880 6.175 -6.312 269 2HH1 ARG 33 2HH1 ARG 33 9.182 7.268 -5.941 270 1HH2 ARG 33 1HH2 ARG 33 9.562 6.157 -2.628 271 2HH2 ARG 33 2HH2 ARG 33 10.111 7.288 -3.841 272 H LEU 34 H LEU 34 1.216 5.185 -2.216 273 HA LEU 34 HA LEU 34 1.452 3.128 -0.156 274 1HB LEU 34 2HB LEU 34 -0.297 5.537 -0.515 275 2HB LEU 34 1HB LEU 34 -0.751 4.273 0.612 276 HG LEU 34 HG LEU 34 1.919 5.639 0.750 277 1HD1 LEU 34 1HD1 LEU 34 0.965 7.075 2.493 278 2HD1 LEU 34 2HD1 LEU 34 -0.634 6.407 2.166 279 3HD1 LEU 34 3HD1 LEU 34 0.194 7.359 0.933 280 1HD2 LEU 34 1HD2 LEU 34 1.855 4.842 3.058 281 2HD2 LEU 34 2HD2 LEU 34 1.695 3.509 1.916 282 3HD2 LEU 34 3HD2 LEU 34 0.274 4.116 2.765 283 H ALA 35 H ALA 35 0.638 1.210 -0.567 284 HA ALA 35 HA ALA 35 -1.413 0.927 -2.629 285 1HB ALA 35 1HB ALA 35 0.584 -0.485 -2.775 286 2HB ALA 35 2HB ALA 35 -0.878 -1.451 -2.573 287 3HB ALA 35 3HB ALA 35 0.200 -1.183 -1.203 288 H PHE 36 H PHE 36 -3.440 1.043 -1.999 289 HA PHE 36 HA PHE 36 -4.326 0.323 0.637 290 1HB PHE 36 2HB PHE 36 -5.851 0.989 -1.892 291 2HB PHE 36 1HB PHE 36 -6.621 0.646 -0.350 292 HD1 PHE 36 2HD PHE 36 -4.786 2.087 1.487 293 HD2 PHE 36 1HD PHE 36 -6.408 3.202 -2.285 294 HE1 PHE 36 2HE PHE 36 -4.601 4.461 2.112 295 HE2 PHE 36 1HE PHE 36 -6.228 5.574 -1.669 296 HZ PHE 36 HZ PHE 36 -5.327 6.207 0.533 297 HA PRO 37 HA PRO 37 -4.529 -3.952 -0.654 298 1HB PRO 37 2HB PRO 37 -4.834 -4.733 2.077 299 2HB PRO 37 1HB PRO 37 -3.364 -4.769 1.104 300 1HG PRO 37 2HG PRO 37 -3.797 -3.113 3.286 301 2HG PRO 37 1HG PRO 37 -2.576 -2.854 2.029 302 1HD PRO 37 2HD PRO 37 -5.266 -1.599 2.351 303 2HD PRO 37 1HD PRO 37 -3.747 -0.887 1.764 304 H VAL 38 H VAL 38 -6.317 -4.931 -1.387 305 HA VAL 38 HA VAL 38 -8.864 -4.549 -0.091 306 HB VAL 38 HB VAL 38 -8.118 -6.420 -2.351 307 1HG1 VAL 38 1HG1 VAL 38 -10.520 -6.592 -2.758 308 2HG1 VAL 38 2HG1 VAL 38 -10.840 -5.573 -1.358 309 3HG1 VAL 38 3HG1 VAL 38 -10.117 -7.166 -1.140 310 1HG2 VAL 38 1HG2 VAL 38 -9.247 -4.755 -3.785 311 2HG2 VAL 38 2HG2 VAL 38 -7.809 -4.107 -2.998 312 3HG2 VAL 38 3HG2 VAL 38 -9.410 -3.695 -2.386 313 H ARG 39 H ARG 39 -9.194 -5.518 1.785 314 HA ARG 39 HA ARG 39 -7.786 -7.994 2.385 315 1HB ARG 39 2HB ARG 39 -7.857 -6.021 3.970 316 2HB ARG 39 1HB ARG 39 -9.559 -6.379 4.219 317 1HG ARG 39 2HG ARG 39 -9.017 -8.541 5.135 318 2HG ARG 39 1HG ARG 39 -7.308 -8.303 4.770 319 1HD ARG 39 2HD ARG 39 -7.353 -6.307 6.277 320 2HD ARG 39 1HD ARG 39 -8.991 -6.769 6.744 321 HE ARG 39 HE ARG 39 -7.536 -9.025 7.172 322 1HH1 ARG 39 1HH1 ARG 39 -7.223 -5.701 8.244 323 2HH1 ARG 39 2HH1 ARG 39 -6.407 -6.132 9.717 324 1HH2 ARG 39 1HH2 ARG 39 -6.471 -9.591 9.076 325 2HH2 ARG 39 2HH2 ARG 39 -5.985 -8.358 10.204 326 H ASP 40 H ASP 40 -8.970 -9.265 0.947 327 HA ASP 40 HA ASP 40 -10.673 -10.542 0.151 328 1HB ASP 40 2HB ASP 40 -9.810 -11.757 2.159 329 2HB ASP 40 1HB ASP 40 -11.143 -11.072 3.084 330 H GLY 41 H GLY 41 -11.941 -8.803 -0.670 331 1HA GLY 41 2HA GLY 41 -14.218 -8.359 -1.092 332 2HA GLY 41 1HA GLY 41 -14.589 -8.814 0.565 333 H VAL 42 H VAL 42 -12.616 -7.142 1.820 334 HA VAL 42 HA VAL 42 -14.001 -4.573 1.430 335 HB VAL 42 HB VAL 42 -12.591 -5.590 3.904 336 1HG1 VAL 42 1HG1 VAL 42 -14.257 -3.110 3.469 337 2HG1 VAL 42 2HG1 VAL 42 -12.517 -3.165 3.750 338 3HG1 VAL 42 3HG1 VAL 42 -13.631 -3.663 5.022 339 1HG2 VAL 42 1HG2 VAL 42 -14.623 -6.855 3.479 340 2HG2 VAL 42 2HG2 VAL 42 -15.540 -5.361 3.291 341 3HG2 VAL 42 3HG2 VAL 42 -14.854 -5.783 4.860 342 HA PRO 43 HA PRO 43 -9.908 -3.155 0.150 343 1HB PRO 43 2HB PRO 43 -10.771 -0.784 -0.835 344 2HB PRO 43 1HB PRO 43 -10.899 -2.294 -1.743 345 1HG PRO 43 2HG PRO 43 -12.991 -0.833 -0.189 346 2HG PRO 43 1HG PRO 43 -13.128 -1.668 -1.745 347 1HD PRO 43 2HD PRO 43 -13.951 -2.742 0.630 348 2HD PRO 43 1HD PRO 43 -13.421 -3.715 -0.759 349 H ILE 44 H ILE 44 -8.577 -2.351 1.651 350 HA ILE 44 HA ILE 44 -9.596 -0.672 3.769 351 HB ILE 44 HB ILE 44 -6.749 -1.549 3.242 352 1HG1 ILE 44 2HG1 ILE 44 -8.157 -3.495 3.590 353 2HG1 ILE 44 1HG1 ILE 44 -7.173 -3.222 5.028 354 1HG2 ILE 44 1HG2 ILE 44 -6.851 0.413 4.658 355 2HG2 ILE 44 2HG2 ILE 44 -6.386 -0.994 5.613 356 3HG2 ILE 44 3HG2 ILE 44 -8.033 -0.370 5.705 357 1HD1 ILE 44 1HD1 ILE 44 -10.069 -2.455 4.700 358 2HD1 ILE 44 2HD1 ILE 44 -9.085 -2.211 6.144 359 3HD1 ILE 44 3HD1 ILE 44 -9.453 -3.845 5.598 360 H MET 45 H MET 45 -10.042 1.345 3.173 361 HA MET 45 HA MET 45 -8.363 2.742 1.253 362 1HB MET 45 2HB MET 45 -10.875 3.614 2.691 363 2HB MET 45 1HB MET 45 -10.070 4.513 1.412 364 1HG MET 45 2HG MET 45 -11.240 1.760 1.100 365 2HG MET 45 1HG MET 45 -12.046 3.257 0.649 366 1HE MET 45 1HE MET 45 -9.525 4.944 -0.502 367 2HE MET 45 2HE MET 45 -11.137 4.911 -1.217 368 3HE MET 45 3HE MET 45 -9.720 4.585 -2.217 369 H LEU 46 H LEU 46 -8.079 2.153 4.407 370 HA LEU 46 HA LEU 46 -7.325 4.831 5.268 371 1HB LEU 46 2HB LEU 46 -7.228 2.175 6.702 372 2HB LEU 46 1HB LEU 46 -6.804 3.715 7.424 373 HG LEU 46 HG LEU 46 -9.544 2.962 6.396 374 1HD1 LEU 46 1HD1 LEU 46 -8.971 1.728 8.404 375 2HD1 LEU 46 2HD1 LEU 46 -10.169 2.970 8.776 376 3HD1 LEU 46 3HD1 LEU 46 -8.477 3.218 9.204 377 1HD2 LEU 46 1HD2 LEU 46 -8.606 5.413 7.886 378 2HD2 LEU 46 2HD2 LEU 46 -10.273 5.041 7.444 379 3HD2 LEU 46 3HD2 LEU 46 -9.075 5.355 6.187 380 H GLU 47 H GLU 47 -5.354 5.604 4.887 381 HA GLU 47 HA GLU 47 -3.272 3.927 3.892 382 1HB GLU 47 2HB GLU 47 -1.889 6.097 4.150 383 2HB GLU 47 1HB GLU 47 -3.179 6.038 2.963 384 1HG GLU 47 2HG GLU 47 -3.210 8.153 4.102 385 2HG GLU 47 1HG GLU 47 -4.650 7.233 4.528 386 H ALA 48 H ALA 48 -4.343 4.419 6.956 387 HA ALA 48 HA ALA 48 -1.861 4.294 8.368 388 1HB ALA 48 1HB ALA 48 -3.862 5.187 9.434 389 2HB ALA 48 2HB ALA 48 -3.250 3.797 10.330 390 3HB ALA 48 3HB ALA 48 -4.659 3.622 9.282 391 H GLU 49 H GLU 49 -4.074 1.986 6.967 392 HA GLU 49 HA GLU 49 -2.482 -0.221 8.088 393 1HB GLU 49 2HB GLU 49 -5.202 -0.379 6.779 394 2HB GLU 49 1HB GLU 49 -4.367 -1.673 7.625 395 1HG GLU 49 2HG GLU 49 -4.502 -0.262 9.701 396 2HG GLU 49 1HG GLU 49 -5.553 0.828 8.796 397 H ALA 50 H ALA 50 -2.815 1.623 5.378 398 HA ALA 50 HA ALA 50 -2.567 -0.347 3.332 399 1HB ALA 50 1HB ALA 50 -2.071 1.543 1.864 400 2HB ALA 50 2HB ALA 50 -1.910 2.597 3.269 401 3HB ALA 50 3HB ALA 50 -3.473 1.880 2.879 402 H ARG 51 H ARG 51 -0.698 -0.672 1.992 403 HA ARG 51 HA ARG 51 1.763 -0.629 3.593 404 1HB ARG 51 2HB ARG 51 0.940 -2.851 2.876 405 2HB ARG 51 1HB ARG 51 1.062 -2.336 1.199 406 1HG ARG 51 2HG ARG 51 3.516 -1.970 1.590 407 2HG ARG 51 1HG ARG 51 3.306 -2.749 3.160 408 1HD ARG 51 2HD ARG 51 4.076 -4.399 1.614 409 2HD ARG 51 1HD ARG 51 2.380 -4.732 1.967 410 HE ARG 51 HE ARG 51 3.321 -3.415 -0.505 411 1HH1 ARG 51 1HH1 ARG 51 1.140 -5.542 1.195 412 2HH1 ARG 51 2HH1 ARG 51 0.245 -5.991 -0.226 413 1HH2 ARG 51 1HH2 ARG 51 2.179 -4.017 -2.401 414 2HH2 ARG 51 2HH2 ARG 51 0.848 -5.133 -2.285 415 H SER 52 H SER 52 3.131 0.961 3.073 416 HA SER 52 HA SER 52 3.160 2.084 0.421 417 1HB SER 52 2HB SER 52 3.605 3.644 2.116 418 2HB SER 52 1HB SER 52 4.795 2.605 2.887 419 HG SER 52 HG SER 52 5.063 4.366 0.790 420 H LEU 53 H LEU 53 4.891 2.062 -0.993 421 HA LEU 53 HA LEU 53 6.157 -0.522 -1.163 422 1HB LEU 53 2HB LEU 53 6.391 1.902 -2.953 423 2HB LEU 53 1HB LEU 53 7.015 0.305 -3.323 424 HG LEU 53 HG LEU 53 4.096 1.006 -2.970 425 1HD1 LEU 53 1HD1 LEU 53 5.054 1.917 -5.029 426 2HD1 LEU 53 2HD1 LEU 53 3.924 0.606 -5.365 427 3HD1 LEU 53 3HD1 LEU 53 5.662 0.317 -5.454 428 1HD2 LEU 53 1HD2 LEU 53 4.604 -1.274 -2.252 429 2HD2 LEU 53 2HD2 LEU 53 5.411 -1.584 -3.790 430 3HD2 LEU 53 3HD2 LEU 53 3.675 -1.271 -3.753 431 H ASP 54 H ASP 54 6.966 2.537 0.084 432 HA ASP 54 HA ASP 54 9.838 2.070 -0.055 433 1HB ASP 54 2HB ASP 54 8.229 4.360 1.092 434 2HB ASP 54 1HB ASP 54 9.986 4.291 1.048 435 H ALA 55 H ALA 55 7.209 1.441 1.951 436 HA ALA 55 HA ALA 55 8.603 1.430 4.460 437 1HB ALA 55 1HB ALA 55 6.186 1.761 4.391 438 2HB ALA 55 2HB ALA 55 6.596 0.325 5.331 439 3HB ALA 55 3HB ALA 55 5.978 0.156 3.688 440 H GLU 56 H GLU 56 8.218 -0.740 1.809 441 HA GLU 56 HA GLU 56 9.595 -2.826 3.356 442 1HB GLU 56 2HB GLU 56 7.399 -3.508 2.466 443 2HB GLU 56 1HB GLU 56 7.976 -3.178 0.842 444 1HG GLU 56 2HG GLU 56 9.691 -4.892 1.103 445 2HG GLU 56 1HG GLU 56 9.111 -5.221 2.734 446 H ALA 57 H ALA 57 11.592 -2.189 3.065 447 HA ALA 57 HA ALA 57 12.853 -2.742 0.541 448 1HB ALA 57 1HB ALA 57 13.940 -0.556 0.305 449 2HB ALA 57 2HB ALA 57 12.996 0.062 1.659 450 3HB ALA 57 3HB ALA 57 12.187 -0.418 0.167 451 HA PRO 58 HA PRO 58 15.828 -4.152 3.502 452 1HB PRO 58 2HB PRO 58 17.802 -3.942 1.314 453 2HB PRO 58 1HB PRO 58 17.288 -5.361 2.232 454 1HG PRO 58 2HG PRO 58 16.554 -5.011 -0.321 455 2HG PRO 58 1HG PRO 58 15.469 -5.755 0.868 456 1HD PRO 58 2HD PRO 58 15.466 -2.968 -0.220 457 2HD PRO 58 1HD PRO 58 14.096 -4.045 0.121 458 H ALA 59 H ALA 59 16.228 -2.543 4.932 459 HA ALA 59 HA ALA 59 17.993 -0.344 4.102 460 1HB ALA 59 1HB ALA 59 15.870 0.306 5.129 461 2HB ALA 59 2HB ALA 59 17.240 0.795 6.125 462 3HB ALA 59 3HB ALA 59 16.283 -0.617 6.572 463 H GLN 60 H GLN 60 19.623 0.344 5.738 464 HA GLN 60 HA GLN 60 20.621 -1.931 7.307 465 1HB GLN 60 2HB GLN 60 22.335 -0.051 5.673 466 2HB GLN 60 1HB GLN 60 22.921 -1.349 6.702 467 1HG GLN 60 2HG GLN 60 21.702 -2.959 5.244 468 2HG GLN 60 1HG GLN 60 21.328 -1.615 4.165 469 1HE2 GLN 60 1HE2 GLN 60 23.790 -3.720 5.376 470 2HE2 GLN 60 2HE2 GLN 60 25.019 -3.292 4.229 471 HA PRO 61 HA PRO 61 20.625 1.587 10.189 472 1HB PRO 61 2HB PRO 61 19.761 -0.199 12.238 473 2HB PRO 61 1HB PRO 61 18.808 1.044 11.426 474 1HG PRO 61 2HG PRO 61 18.392 -1.693 11.212 475 2HG PRO 61 1HG PRO 61 17.781 -0.470 10.087 476 1HD PRO 61 2HD PRO 61 20.158 -2.260 9.838 477 2HD PRO 61 1HD PRO 61 19.030 -1.697 8.586 478 H SER 62 H SER 62 21.608 1.515 12.549 479 HA SER 62 HA SER 62 24.157 0.155 12.322 480 1HB SER 62 2HB SER 62 23.917 2.555 13.121 481 2HB SER 62 1HB SER 62 23.222 1.904 14.607 482 HG SER 62 HG SER 62 25.829 1.535 13.565 483 H LEU 63 H LEU 63 24.160 -1.931 12.865 484 HA LEU 63 HA LEU 63 22.401 -2.961 14.913 485 1HB LEU 63 2HB LEU 63 24.635 -4.320 13.397 486 2HB LEU 63 1HB LEU 63 23.459 -5.124 14.417 487 HG LEU 63 HG LEU 63 22.835 -3.648 11.857 488 1HD1 LEU 63 1HD1 LEU 63 22.864 -6.600 12.462 489 2HD1 LEU 63 2HD1 LEU 63 24.042 -5.736 11.476 490 3HD1 LEU 63 3HD1 LEU 63 22.367 -5.855 10.943 491 1HD2 LEU 63 1HD2 LEU 63 20.593 -4.609 12.116 492 2HD2 LEU 63 2HD2 LEU 63 20.995 -3.518 13.443 493 3HD2 LEU 63 3HD2 LEU 63 21.060 -5.264 13.686 494 H GLU 64 H GLU 64 22.993 -2.024 16.822 495 HA GLU 64 HA GLU 64 25.794 -1.742 17.459 496 1HB GLU 64 2HB GLU 64 23.333 -0.891 18.985 497 2HB GLU 64 1HB GLU 64 24.989 -0.506 19.441 498 1HG GLU 64 2HG GLU 64 25.264 0.685 17.303 499 2HG GLU 64 1HG GLU 64 23.567 0.368 16.938 500 H HIS 65 H HIS 65 26.735 -3.564 18.075 501 HA HIS 65 HA HIS 65 25.776 -4.641 20.640 502 1HB HIS 65 2HB HIS 65 26.838 -6.770 20.147 503 2HB HIS 65 1HB HIS 65 25.732 -6.378 18.838 504 HD1 HIS 65 1HD HIS 65 26.701 -6.235 16.508 505 HD2 HIS 65 2HD HIS 65 29.623 -6.544 19.459 506 HE1 HIS 65 1HE HIS 65 28.874 -6.601 15.287 507 HE2 HIS 65 2HE HIS 65 30.594 -6.942 17.098 508 H HIS 66 H HIS 66 27.313 -4.665 22.301 509 HA HIS 66 HA HIS 66 29.760 -3.186 21.615 510 1HB HIS 66 2HB HIS 66 28.281 -3.429 24.236 511 2HB HIS 66 1HB HIS 66 29.867 -2.668 24.078 512 HD1 HIS 66 1HD HIS 66 26.836 -1.410 24.701 513 HD2 HIS 66 2HD HIS 66 29.295 -0.890 21.384 514 HE1 HIS 66 1HE HIS 66 26.078 0.731 23.623 515 HE2 HIS 66 2HE HIS 66 27.503 0.973 21.558 516 H HIS 67 H HIS 67 31.479 -4.280 21.384 517 HA HIS 67 HA HIS 67 31.738 -7.010 22.051 518 1HB HIS 67 2HB HIS 67 32.875 -6.048 20.143 519 2HB HIS 67 1HB HIS 67 33.764 -4.943 21.180 520 HD1 HIS 67 1HD HIS 67 33.374 -8.743 21.129 521 HD2 HIS 67 2HD HIS 67 36.296 -5.789 21.346 522 HE1 HIS 67 1HE HIS 67 35.571 -9.964 21.269 523 HE2 HIS 67 2HE HIS 67 37.320 -8.152 21.128 524 H HIS 68 H HIS 68 31.806 -7.656 24.103 525 HA HIS 68 HA HIS 68 33.705 -6.320 25.920 526 1HB HIS 68 2HB HIS 68 31.084 -7.692 26.551 527 2HB HIS 68 1HB HIS 68 32.263 -7.245 27.777 528 HD1 HIS 68 1HD HIS 68 29.305 -6.090 27.542 529 HD2 HIS 68 2HD HIS 68 32.804 -4.205 26.310 530 HE1 HIS 68 1HE HIS 68 28.782 -3.629 27.519 531 HE2 HIS 68 2HE HIS 68 30.868 -2.527 26.618 532 H HIS 69 H HIS 69 35.439 -7.518 26.248 533 HA HIS 69 HA HIS 69 35.258 -10.216 27.158 534 1HB HIS 69 2HB HIS 69 35.114 -10.321 24.540 535 2HB HIS 69 1HB HIS 69 36.834 -9.967 24.606 536 HD1 HIS 69 1HD HIS 69 34.825 -12.732 24.122 537 HD2 HIS 69 2HD HIS 69 37.966 -11.993 26.750 538 HE1 HIS 69 1HE HIS 69 35.683 -14.994 24.807 539 HE2 HIS 69 2HE HIS 69 37.690 -14.520 26.252 540 H HIS 70 H HIS 70 37.313 -7.751 25.693 541 HA HIS 70 HA HIS 70 38.943 -7.678 28.065 542 1HB HIS 70 2HB HIS 70 41.066 -8.031 27.010 543 2HB HIS 70 1HB HIS 70 40.058 -9.415 26.621 544 HD1 HIS 70 1HD HIS 70 41.383 -6.234 25.018 545 HD2 HIS 70 2HD HIS 70 39.813 -9.938 23.958 546 HE1 HIS 70 1HE HIS 70 41.714 -6.426 22.535 547 HE2 HIS 70 2HE HIS 70 40.988 -8.773 21.972 Start of MODEL 13 1 1H MET 1 1H MET 1 -14.432 -18.268 -17.920 2 2H MET 1 2H MET 1 -15.638 -19.147 -17.126 3 3H MET 1 3H MET 1 -14.555 -19.943 -18.165 4 HA MET 1 HA MET 1 -14.014 -20.347 -15.853 5 1HB MET 1 2HB MET 1 -12.232 -20.238 -17.595 6 2HB MET 1 1HB MET 1 -12.012 -18.538 -17.219 7 1HG MET 1 2HG MET 1 -10.296 -19.580 -16.068 8 2HG MET 1 1HG MET 1 -11.519 -19.312 -14.832 9 1HE MET 1 1HE MET 1 -13.591 -21.568 -14.953 10 2HE MET 1 2HE MET 1 -12.694 -21.152 -13.494 11 3HE MET 1 3HE MET 1 -12.817 -22.838 -14.009 12 H GLU 2 H GLU 2 -14.460 -19.580 -13.891 13 HA GLU 2 HA GLU 2 -14.972 -16.789 -13.499 14 1HB GLU 2 2HB GLU 2 -16.311 -18.548 -12.383 15 2HB GLU 2 1HB GLU 2 -14.889 -19.022 -11.463 16 1HG GLU 2 2HG GLU 2 -14.827 -16.776 -10.453 17 2HG GLU 2 1HG GLU 2 -16.300 -16.367 -11.332 18 H SER 3 H SER 3 -12.849 -16.012 -14.052 19 HA SER 3 HA SER 3 -10.790 -16.425 -12.010 20 1HB SER 3 2HB SER 3 -10.590 -14.880 -14.605 21 2HB SER 3 1HB SER 3 -9.259 -15.417 -13.582 22 HG SER 3 HG SER 3 -9.866 -17.582 -14.072 23 H ARG 4 H ARG 4 -11.466 -15.180 -10.292 24 HA ARG 4 HA ARG 4 -12.221 -12.395 -10.852 25 1HB ARG 4 2HB ARG 4 -12.622 -13.966 -8.303 26 2HB ARG 4 1HB ARG 4 -13.276 -12.375 -8.669 27 1HG ARG 4 2HG ARG 4 -14.592 -13.386 -10.504 28 2HG ARG 4 1HG ARG 4 -13.994 -14.972 -10.012 29 1HD ARG 4 2HD ARG 4 -16.141 -14.692 -9.032 30 2HD ARG 4 1HD ARG 4 -14.951 -14.529 -7.743 31 HE ARG 4 HE ARG 4 -15.985 -12.102 -9.029 32 1HH1 ARG 4 1HH1 ARG 4 -15.742 -14.147 -6.182 33 2HH1 ARG 4 2HH1 ARG 4 -16.497 -12.977 -5.142 34 1HH2 ARG 4 1HH2 ARG 4 -16.945 -10.582 -7.659 35 2HH2 ARG 4 2HH2 ARG 4 -17.162 -10.938 -5.970 36 H LEU 5 H LEU 5 -10.355 -11.276 -10.934 37 HA LEU 5 HA LEU 5 -8.976 -10.935 -8.411 38 1HB LEU 5 2HB LEU 5 -6.744 -11.083 -9.389 39 2HB LEU 5 1HB LEU 5 -7.589 -12.612 -9.498 40 HG LEU 5 HG LEU 5 -7.465 -10.720 -11.840 41 1HD1 LEU 5 1HD1 LEU 5 -5.487 -12.884 -11.123 42 2HD1 LEU 5 2HD1 LEU 5 -5.169 -11.150 -11.129 43 3HD1 LEU 5 3HD1 LEU 5 -5.529 -11.985 -12.639 44 1HD2 LEU 5 1HD2 LEU 5 -7.821 -13.711 -11.632 45 2HD2 LEU 5 2HD2 LEU 5 -7.794 -12.772 -13.125 46 3HD2 LEU 5 3HD2 LEU 5 -9.098 -12.539 -11.960 47 H LEU 6 H LEU 6 -9.239 -8.858 -8.048 48 HA LEU 6 HA LEU 6 -8.964 -6.995 -10.314 49 1HB LEU 6 2HB LEU 6 -10.535 -6.663 -7.755 50 2HB LEU 6 1HB LEU 6 -10.352 -5.428 -8.986 51 HG LEU 6 HG LEU 6 -11.735 -8.086 -9.350 52 1HD1 LEU 6 1HD1 LEU 6 -12.815 -5.279 -9.142 53 2HD1 LEU 6 2HD1 LEU 6 -13.024 -6.577 -7.966 54 3HD1 LEU 6 3HD1 LEU 6 -13.761 -6.707 -9.563 55 1HD2 LEU 6 1HD2 LEU 6 -11.419 -5.769 -11.255 56 2HD2 LEU 6 2HD2 LEU 6 -12.397 -7.210 -11.535 57 3HD2 LEU 6 3HD2 LEU 6 -10.643 -7.346 -11.402 58 H ASP 7 H ASP 7 -6.633 -7.537 -9.617 59 HA ASP 7 HA ASP 7 -5.726 -6.045 -7.285 60 1HB ASP 7 2HB ASP 7 -3.548 -7.081 -7.739 61 2HB ASP 7 1HB ASP 7 -4.818 -8.300 -7.699 62 H ILE 8 H ILE 8 -6.524 -5.200 -10.292 63 HA ILE 8 HA ILE 8 -4.202 -3.682 -11.047 64 HB ILE 8 HB ILE 8 -5.771 -2.719 -12.803 65 1HG1 ILE 8 2HG1 ILE 8 -7.567 -4.940 -11.787 66 2HG1 ILE 8 1HG1 ILE 8 -7.882 -3.218 -11.597 67 1HG2 ILE 8 1HG2 ILE 8 -5.693 -4.787 -14.141 68 2HG2 ILE 8 2HG2 ILE 8 -5.288 -5.691 -12.681 69 3HG2 ILE 8 3HG2 ILE 8 -4.181 -4.461 -13.294 70 1HD1 ILE 8 1HD1 ILE 8 -7.715 -4.707 -14.205 71 2HD1 ILE 8 2HD1 ILE 8 -8.022 -2.980 -14.024 72 3HD1 ILE 8 3HD1 ILE 8 -9.189 -4.153 -13.411 73 H LEU 9 H LEU 9 -4.208 -2.617 -8.881 74 HA LEU 9 HA LEU 9 -5.858 -0.173 -8.937 75 1HB LEU 9 2HB LEU 9 -4.664 -1.600 -6.557 76 2HB LEU 9 1HB LEU 9 -5.530 -0.077 -6.483 77 HG LEU 9 HG LEU 9 -6.730 -2.704 -7.376 78 1HD1 LEU 9 1HD1 LEU 9 -7.936 -2.638 -5.248 79 2HD1 LEU 9 2HD1 LEU 9 -7.027 -1.201 -4.778 80 3HD1 LEU 9 3HD1 LEU 9 -6.192 -2.738 -5.005 81 1HD2 LEU 9 1HD2 LEU 9 -8.003 -0.021 -6.836 82 2HD2 LEU 9 2HD2 LEU 9 -8.857 -1.510 -7.238 83 3HD2 LEU 9 3HD2 LEU 9 -7.783 -0.768 -8.421 84 H VAL 10 H VAL 10 -4.818 1.726 -9.025 85 HA VAL 10 HA VAL 10 -1.902 1.687 -8.658 86 HB VAL 10 HB VAL 10 -1.737 3.450 -10.412 87 1HG1 VAL 10 1HG1 VAL 10 -2.905 0.809 -11.276 88 2HG1 VAL 10 2HG1 VAL 10 -1.203 1.160 -10.973 89 3HG1 VAL 10 3HG1 VAL 10 -2.035 1.922 -12.330 90 1HG2 VAL 10 1HG2 VAL 10 -4.034 4.272 -10.341 91 2HG2 VAL 10 2HG2 VAL 10 -4.614 2.727 -10.966 92 3HG2 VAL 10 3HG2 VAL 10 -3.597 3.759 -11.972 93 H CYS 11 H CYS 11 -0.946 3.428 -7.721 94 HA CYS 11 HA CYS 11 -2.338 4.995 -5.864 95 1HB CYS 11 2HB CYS 11 0.028 4.564 -5.609 96 2HB CYS 11 1HB CYS 11 0.386 5.352 -7.140 97 HG CYS 11 HG CYS 11 1.234 6.863 -4.840 98 HA PRO 12 HA PRO 12 -4.217 8.069 -8.474 99 1HB PRO 12 2HB PRO 12 -4.445 10.042 -6.557 100 2HB PRO 12 1HB PRO 12 -5.585 8.710 -6.767 101 1HG PRO 12 2HG PRO 12 -3.331 8.988 -4.824 102 2HG PRO 12 1HG PRO 12 -4.957 8.328 -4.568 103 1HD PRO 12 2HD PRO 12 -2.833 6.723 -4.877 104 2HD PRO 12 1HD PRO 12 -4.422 6.293 -5.544 105 H VAL 13 H VAL 13 -1.341 8.669 -6.581 106 HA VAL 13 HA VAL 13 -0.792 11.176 -7.949 107 HB VAL 13 HB VAL 13 0.901 9.739 -5.897 108 1HG1 VAL 13 1HG1 VAL 13 0.983 12.578 -6.916 109 2HG1 VAL 13 2HG1 VAL 13 2.180 11.317 -7.216 110 3HG1 VAL 13 3HG1 VAL 13 1.950 11.944 -5.584 111 1HG2 VAL 13 1HG2 VAL 13 -1.281 10.284 -4.958 112 2HG2 VAL 13 2HG2 VAL 13 -1.115 11.953 -5.502 113 3HG2 VAL 13 3HG2 VAL 13 -0.031 11.317 -4.265 114 H CYS 14 H CYS 14 1.255 8.318 -7.280 115 HA CYS 14 HA CYS 14 2.849 9.003 -9.616 116 1HB CYS 14 2HB CYS 14 3.310 6.886 -7.511 117 2HB CYS 14 1HB CYS 14 4.471 7.422 -8.721 118 HG CYS 14 HG CYS 14 3.957 8.605 -5.716 119 H LYS 15 H LYS 15 0.174 7.194 -9.202 120 HA LYS 15 HA LYS 15 -0.818 5.436 -10.229 121 1HB LYS 15 2HB LYS 15 1.190 6.097 -12.388 122 2HB LYS 15 1HB LYS 15 -0.247 5.106 -12.606 123 1HG LYS 15 2HG LYS 15 -0.249 7.998 -11.773 124 2HG LYS 15 1HG LYS 15 -0.549 7.406 -13.405 125 1HD LYS 15 2HD LYS 15 -2.507 6.192 -12.629 126 2HD LYS 15 1HD LYS 15 -2.188 6.704 -10.971 127 1HE LYS 15 2HE LYS 15 -3.938 8.067 -11.972 128 2HE LYS 15 1HE LYS 15 -2.507 9.038 -11.627 129 1HZ LYS 15 1HZ LYS 15 -3.236 7.931 -14.292 130 2HZ LYS 15 2HZ LYS 15 -1.884 8.898 -13.953 131 3HZ LYS 15 3HZ LYS 15 -3.443 9.544 -13.802 132 H GLY 16 H GLY 16 1.488 4.877 -8.499 133 1HA GLY 16 2HA GLY 16 2.800 2.574 -9.653 134 2HA GLY 16 1HA GLY 16 2.974 3.160 -8.002 135 H ARG 17 H ARG 17 2.712 0.448 -8.577 136 HA ARG 17 HA ARG 17 0.028 -0.449 -8.497 137 1HB ARG 17 2HB ARG 17 1.569 -2.009 -9.313 138 2HB ARG 17 1HB ARG 17 2.665 -1.772 -7.959 139 1HG ARG 17 2HG ARG 17 1.602 -3.265 -6.661 140 2HG ARG 17 1HG ARG 17 0.005 -2.799 -7.247 141 1HD ARG 17 2HD ARG 17 1.973 -4.416 -8.858 142 2HD ARG 17 1HD ARG 17 0.724 -5.131 -7.838 143 HE ARG 17 HE ARG 17 0.030 -3.282 -10.024 144 1HH1 ARG 17 1HH1 ARG 17 -0.200 -6.416 -8.492 145 2HH1 ARG 17 2HH1 ARG 17 -1.544 -6.944 -9.466 146 1HH2 ARG 17 1HH2 ARG 17 -1.742 -3.974 -11.325 147 2HH2 ARG 17 2HH2 ARG 17 -2.396 -5.567 -11.076 148 H LEU 18 H LEU 18 -1.367 -0.682 -6.930 149 HA LEU 18 HA LEU 18 -0.513 -0.363 -4.140 150 1HB LEU 18 2HB LEU 18 -3.311 -0.452 -5.289 151 2HB LEU 18 1HB LEU 18 -2.875 -0.047 -3.642 152 HG LEU 18 HG LEU 18 -2.252 1.588 -6.098 153 1HD1 LEU 18 1HD1 LEU 18 -4.587 1.694 -5.447 154 2HD1 LEU 18 2HD1 LEU 18 -3.776 3.212 -5.063 155 3HD1 LEU 18 3HD1 LEU 18 -4.125 2.051 -3.782 156 1HD2 LEU 18 1HD2 LEU 18 -0.452 1.774 -4.486 157 2HD2 LEU 18 2HD2 LEU 18 -1.612 2.078 -3.194 158 3HD2 LEU 18 3HD2 LEU 18 -1.412 3.255 -4.492 159 H GLU 19 H GLU 19 -0.792 -1.993 -2.652 160 HA GLU 19 HA GLU 19 -1.941 -4.508 -3.649 161 1HB GLU 19 2HB GLU 19 0.631 -4.067 -2.161 162 2HB GLU 19 1HB GLU 19 -0.200 -5.612 -2.114 163 1HG GLU 19 2HG GLU 19 -0.085 -5.704 -4.583 164 2HG GLU 19 1HG GLU 19 0.854 -4.211 -4.558 165 H PHE 20 H PHE 20 -3.362 -5.480 -2.347 166 HA PHE 20 HA PHE 20 -4.221 -4.065 0.009 167 1HB PHE 20 2HB PHE 20 -5.846 -5.033 -1.587 168 2HB PHE 20 1HB PHE 20 -5.254 -6.644 -1.199 169 HD1 PHE 20 1HD PHE 20 -7.036 -3.707 0.133 170 HD2 PHE 20 2HD PHE 20 -6.000 -7.793 0.734 171 HE1 PHE 20 1HE PHE 20 -8.668 -3.849 1.965 172 HE2 PHE 20 2HE PHE 20 -7.632 -7.941 2.569 173 HZ PHE 20 HZ PHE 20 -8.969 -5.967 3.187 174 H GLN 21 H GLN 21 -2.944 -4.310 1.736 175 HA GLN 21 HA GLN 21 -1.998 -6.973 2.465 176 1HB GLN 21 2HB GLN 21 -1.418 -4.230 3.582 177 2HB GLN 21 1HB GLN 21 -0.815 -5.716 4.295 178 1HG GLN 21 2HG GLN 21 -0.257 -4.851 1.478 179 2HG GLN 21 1HG GLN 21 0.820 -4.573 2.847 180 1HE2 GLN 21 1HE2 GLN 21 1.203 -6.136 0.401 181 2HE2 GLN 21 2HE2 GLN 21 1.602 -7.731 0.923 182 H ARG 22 H ARG 22 -2.567 -7.995 4.378 183 HA ARG 22 HA ARG 22 -5.256 -7.244 5.232 184 1HB ARG 22 2HB ARG 22 -3.726 -9.808 5.702 185 2HB ARG 22 1HB ARG 22 -5.427 -9.532 6.055 186 1HG ARG 22 2HG ARG 22 -5.812 -9.132 3.637 187 2HG ARG 22 1HG ARG 22 -4.131 -9.576 3.340 188 1HD ARG 22 2HD ARG 22 -5.552 -11.478 2.927 189 2HD ARG 22 1HD ARG 22 -4.568 -11.780 4.358 190 HE ARG 22 HE ARG 22 -6.961 -10.702 5.256 191 1HH1 ARG 22 1HH1 ARG 22 -5.942 -13.559 3.497 192 2HH1 ARG 22 2HH1 ARG 22 -7.255 -14.536 4.086 193 1HH2 ARG 22 1HH2 ARG 22 -8.696 -11.975 5.986 194 2HH2 ARG 22 2HH2 ARG 22 -8.801 -13.643 5.513 195 H ALA 23 H ALA 23 -2.717 -5.988 6.258 196 HA ALA 23 HA ALA 23 -2.586 -6.715 9.030 197 1HB ALA 23 1HB ALA 23 -1.608 -4.209 7.654 198 2HB ALA 23 2HB ALA 23 -0.667 -5.678 7.907 199 3HB ALA 23 3HB ALA 23 -1.194 -4.720 9.290 200 H GLN 24 H GLN 24 -3.343 -3.484 7.783 201 HA GLN 24 HA GLN 24 -5.630 -3.350 9.622 202 1HB GLN 24 2HB GLN 24 -3.925 -1.255 8.295 203 2HB GLN 24 1HB GLN 24 -5.518 -0.852 8.910 204 1HG GLN 24 2HG GLN 24 -3.868 -0.245 10.530 205 2HG GLN 24 1HG GLN 24 -4.811 -1.596 11.149 206 1HE2 GLN 24 1HE2 GLN 24 -1.725 -0.621 9.832 207 2HE2 GLN 24 2HE2 GLN 24 -0.832 -1.984 10.408 208 H ALA 25 H ALA 25 -5.265 -4.546 6.804 209 HA ALA 25 HA ALA 25 -6.339 -4.728 4.819 210 1HB ALA 25 1HB ALA 25 -8.321 -5.071 6.229 211 2HB ALA 25 2HB ALA 25 -8.727 -4.232 4.732 212 3HB ALA 25 3HB ALA 25 -8.610 -3.330 6.243 213 H GLU 26 H GLU 26 -4.737 -3.276 3.969 214 HA GLU 26 HA GLU 26 -5.821 -0.696 3.149 215 1HB GLU 26 2HB GLU 26 -3.717 0.437 3.858 216 2HB GLU 26 1HB GLU 26 -4.683 -0.164 5.199 217 1HG GLU 26 2HG GLU 26 -3.170 -2.234 5.096 218 2HG GLU 26 1HG GLU 26 -2.103 -1.227 4.120 219 H LEU 27 H LEU 27 -4.816 0.214 1.335 220 HA LEU 27 HA LEU 27 -3.450 -1.741 -0.350 221 1HB LEU 27 2HB LEU 27 -4.437 1.012 -1.088 222 2HB LEU 27 1HB LEU 27 -3.940 -0.254 -2.190 223 HG LEU 27 HG LEU 27 -6.353 -0.404 -0.383 224 1HD1 LEU 27 1HD1 LEU 27 -7.660 -0.099 -2.414 225 2HD1 LEU 27 2HD1 LEU 27 -6.179 0.116 -3.346 226 3HD1 LEU 27 3HD1 LEU 27 -6.623 1.295 -2.113 227 1HD2 LEU 27 1HD2 LEU 27 -6.934 -2.366 -1.712 228 2HD2 LEU 27 2HD2 LEU 27 -5.382 -2.586 -0.904 229 3HD2 LEU 27 3HD2 LEU 27 -5.434 -2.202 -2.625 230 H VAL 28 H VAL 28 -1.336 -1.800 0.027 231 HA VAL 28 HA VAL 28 0.185 0.481 0.830 232 HB VAL 28 HB VAL 28 1.005 -2.305 -0.005 233 1HG1 VAL 28 1HG1 VAL 28 2.728 -0.082 1.092 234 2HG1 VAL 28 2HG1 VAL 28 2.834 -0.790 -0.520 235 3HG1 VAL 28 3HG1 VAL 28 3.232 -1.760 0.898 236 1HG2 VAL 28 1HG2 VAL 28 1.476 -2.580 2.391 237 2HG2 VAL 28 2HG2 VAL 28 -0.217 -2.180 2.098 238 3HG2 VAL 28 3HG2 VAL 28 0.893 -0.942 2.686 239 H CYS 29 H CYS 29 1.090 1.956 -0.391 240 HA CYS 29 HA CYS 29 1.186 1.668 -3.281 241 1HB CYS 29 2HB CYS 29 2.258 3.982 -1.675 242 2HB CYS 29 1HB CYS 29 1.680 3.983 -3.336 243 HG CYS 29 HG CYS 29 -0.797 3.015 -1.448 244 H ASN 30 H ASN 30 2.841 0.396 -3.965 245 HA ASN 30 HA ASN 30 5.237 0.167 -2.384 246 1HB ASN 30 2HB ASN 30 4.466 -1.108 -5.020 247 2HB ASN 30 1HB ASN 30 5.926 -1.499 -4.116 248 1HD2 ASN 30 1HD2 ASN 30 2.480 -1.819 -4.283 249 2HD2 ASN 30 2HD2 ASN 30 2.331 -3.026 -3.056 250 H ALA 31 H ALA 31 5.099 2.707 -3.158 251 HA ALA 31 HA ALA 31 7.592 3.065 -4.528 252 1HB ALA 31 1HB ALA 31 6.054 2.949 -6.443 253 2HB ALA 31 2HB ALA 31 6.752 4.559 -6.268 254 3HB ALA 31 3HB ALA 31 5.095 4.253 -5.746 255 H ASP 32 H ASP 32 4.631 4.544 -3.299 256 HA ASP 32 HA ASP 32 6.025 6.936 -2.445 257 1HB ASP 32 2HB ASP 32 3.139 6.080 -2.121 258 2HB ASP 32 1HB ASP 32 3.782 7.639 -1.619 259 H ARG 33 H ARG 33 5.534 3.878 -1.196 260 HA ARG 33 HA ARG 33 5.760 2.901 0.848 261 1HB ARG 33 2HB ARG 33 6.812 5.551 1.816 262 2HB ARG 33 1HB ARG 33 7.063 3.977 2.550 263 1HG ARG 33 2HG ARG 33 8.250 3.323 0.407 264 2HG ARG 33 1HG ARG 33 8.223 5.041 -0.003 265 1HD ARG 33 2HD ARG 33 9.300 5.477 2.218 266 2HD ARG 33 1HD ARG 33 9.503 3.734 2.375 267 HE ARG 33 HE ARG 33 10.593 4.933 -0.033 268 1HH1 ARG 33 1HH1 ARG 33 11.183 3.784 3.222 269 2HH1 ARG 33 2HH1 ARG 33 12.908 3.740 3.026 270 1HH2 ARG 33 1HH2 ARG 33 12.868 4.865 -0.295 271 2HH2 ARG 33 2HH2 ARG 33 13.861 4.294 1.019 272 H LEU 34 H LEU 34 3.299 4.142 0.127 273 HA LEU 34 HA LEU 34 2.300 5.072 2.742 274 1HB LEU 34 2HB LEU 34 1.284 5.764 -0.018 275 2HB LEU 34 1HB LEU 34 0.523 6.254 1.482 276 HG LEU 34 HG LEU 34 3.274 7.089 0.571 277 1HD1 LEU 34 1HD1 LEU 34 1.533 8.086 -0.796 278 2HD1 LEU 34 2HD1 LEU 34 2.245 9.297 0.269 279 3HD1 LEU 34 3HD1 LEU 34 0.668 8.606 0.651 280 1HD2 LEU 34 1HD2 LEU 34 1.631 7.957 2.948 281 2HD2 LEU 34 2HD2 LEU 34 3.174 8.654 2.452 282 3HD2 LEU 34 3HD2 LEU 34 3.099 6.979 2.999 283 H ALA 35 H ALA 35 -0.217 4.763 2.780 284 HA ALA 35 HA ALA 35 -1.062 2.297 1.495 285 1HB ALA 35 1HB ALA 35 0.095 1.546 3.527 286 2HB ALA 35 2HB ALA 35 -1.627 1.170 3.571 287 3HB ALA 35 3HB ALA 35 -0.996 2.530 4.500 288 H PHE 36 H PHE 36 -3.115 2.453 0.906 289 HA PHE 36 HA PHE 36 -4.813 4.499 2.142 290 1HB PHE 36 2HB PHE 36 -5.091 2.921 -0.421 291 2HB PHE 36 1HB PHE 36 -6.354 3.975 0.202 292 HD1 PHE 36 2HD PHE 36 -5.980 6.405 0.331 293 HD2 PHE 36 1HD PHE 36 -3.175 3.797 -1.522 294 HE1 PHE 36 2HE PHE 36 -4.950 8.325 -0.801 295 HE2 PHE 36 1HE PHE 36 -2.140 5.719 -2.660 296 HZ PHE 36 HZ PHE 36 -3.029 7.989 -2.299 297 HA PRO 37 HA PRO 37 -6.422 1.017 4.455 298 1HB PRO 37 2HB PRO 37 -8.004 2.460 6.115 299 2HB PRO 37 1HB PRO 37 -6.253 2.340 6.318 300 1HG PRO 37 2HG PRO 37 -7.873 4.531 5.083 301 2HG PRO 37 1HG PRO 37 -6.483 4.650 6.178 302 1HD PRO 37 2HD PRO 37 -6.284 4.996 3.494 303 2HD PRO 37 1HD PRO 37 -4.964 4.334 4.479 304 H VAL 38 H VAL 38 -8.179 -0.245 4.249 305 HA VAL 38 HA VAL 38 -10.564 0.889 2.937 306 HB VAL 38 HB VAL 38 -9.728 -2.013 3.165 307 1HG1 VAL 38 1HG1 VAL 38 -12.157 -1.714 3.055 308 2HG1 VAL 38 2HG1 VAL 38 -11.539 -2.438 1.570 309 3HG1 VAL 38 3HG1 VAL 38 -11.971 -0.729 1.603 310 1HG2 VAL 38 1HG2 VAL 38 -9.635 -0.160 0.787 311 2HG2 VAL 38 2HG2 VAL 38 -9.252 -1.881 0.770 312 3HG2 VAL 38 3HG2 VAL 38 -8.241 -0.761 1.684 313 H ARG 39 H ARG 39 -12.160 1.337 4.316 314 HA ARG 39 HA ARG 39 -12.093 0.241 6.998 315 1HB ARG 39 2HB ARG 39 -12.572 2.692 6.349 316 2HB ARG 39 1HB ARG 39 -14.181 2.126 5.922 317 1HG ARG 39 2HG ARG 39 -14.482 1.306 8.217 318 2HG ARG 39 1HG ARG 39 -12.884 1.930 8.631 319 1HD ARG 39 2HD ARG 39 -13.684 4.192 7.907 320 2HD ARG 39 1HD ARG 39 -15.299 3.503 7.757 321 HE ARG 39 HE ARG 39 -13.788 3.630 10.299 322 1HH1 ARG 39 1HH1 ARG 39 -16.796 3.710 8.495 323 2HH1 ARG 39 2HH1 ARG 39 -17.765 4.108 9.885 324 1HH2 ARG 39 1HH2 ARG 39 -15.068 4.111 12.134 325 2HH2 ARG 39 2HH2 ARG 39 -16.780 4.333 11.953 326 H ASP 40 H ASP 40 -12.473 -1.858 5.665 327 HA ASP 40 HA ASP 40 -13.754 -3.651 5.142 328 1HB ASP 40 2HB ASP 40 -14.260 -3.248 7.622 329 2HB ASP 40 1HB ASP 40 -15.800 -2.590 7.075 330 H GLY 41 H GLY 41 -14.199 -3.064 3.019 331 1HA GLY 41 2HA GLY 41 -15.902 -3.176 1.384 332 2HA GLY 41 1HA GLY 41 -17.029 -2.491 2.545 333 H VAL 42 H VAL 42 -15.437 -0.287 3.350 334 HA VAL 42 HA VAL 42 -15.779 1.406 0.983 335 HB VAL 42 HB VAL 42 -15.330 2.248 3.853 336 1HG1 VAL 42 1HG1 VAL 42 -16.192 4.418 3.082 337 2HG1 VAL 42 2HG1 VAL 42 -16.233 3.795 1.432 338 3HG1 VAL 42 3HG1 VAL 42 -14.692 3.960 2.276 339 1HG2 VAL 42 1HG2 VAL 42 -17.916 2.035 2.314 340 2HG2 VAL 42 2HG2 VAL 42 -17.737 2.711 3.934 341 3HG2 VAL 42 3HG2 VAL 42 -17.417 0.999 3.649 342 HA PRO 43 HA PRO 43 -11.265 1.339 0.921 343 1HB PRO 43 2HB PRO 43 -10.976 1.969 -1.677 344 2HB PRO 43 1HB PRO 43 -11.446 0.347 -1.156 345 1HG PRO 43 2HG PRO 43 -13.122 2.531 -2.298 346 2HG PRO 43 1HG PRO 43 -13.248 0.779 -2.528 347 1HD PRO 43 2HD PRO 43 -14.812 2.304 -0.795 348 2HD PRO 43 1HD PRO 43 -14.610 0.543 -0.725 349 H ILE 44 H ILE 44 -10.453 3.068 1.978 350 HA ILE 44 HA ILE 44 -11.270 5.748 1.280 351 HB ILE 44 HB ILE 44 -9.173 4.847 3.269 352 1HG1 ILE 44 2HG1 ILE 44 -11.381 3.983 3.877 353 2HG1 ILE 44 1HG1 ILE 44 -10.908 5.266 4.981 354 1HG2 ILE 44 1HG2 ILE 44 -10.527 7.525 2.933 355 2HG2 ILE 44 2HG2 ILE 44 -8.842 7.151 2.565 356 3HG2 ILE 44 3HG2 ILE 44 -9.415 7.086 4.230 357 1HD1 ILE 44 1HD1 ILE 44 -12.331 6.832 3.809 358 2HD1 ILE 44 2HD1 ILE 44 -13.252 5.428 4.357 359 3HD1 ILE 44 3HD1 ILE 44 -12.783 5.572 2.663 360 H MET 45 H MET 45 -10.549 5.992 -0.804 361 HA MET 45 HA MET 45 -7.702 5.797 -1.371 362 1HB MET 45 2HB MET 45 -10.032 6.625 -3.120 363 2HB MET 45 1HB MET 45 -8.368 6.480 -3.669 364 1HG MET 45 2HG MET 45 -8.393 4.104 -3.144 365 2HG MET 45 1HG MET 45 -10.056 4.242 -2.576 366 1HE MET 45 1HE MET 45 -7.657 4.482 -5.671 367 2HE MET 45 2HE MET 45 -8.438 6.062 -5.678 368 3HE MET 45 3HE MET 45 -8.778 4.900 -6.964 369 H LEU 46 H LEU 46 -9.120 7.809 0.441 370 HA LEU 46 HA LEU 46 -8.770 10.360 -0.767 371 1HB LEU 46 2HB LEU 46 -9.019 9.575 2.138 372 2HB LEU 46 1HB LEU 46 -9.123 11.216 1.524 373 HG LEU 46 HG LEU 46 -11.029 8.989 0.789 374 1HD1 LEU 46 1HD1 LEU 46 -11.259 9.612 3.138 375 2HD1 LEU 46 2HD1 LEU 46 -12.650 10.138 2.190 376 3HD1 LEU 46 3HD1 LEU 46 -11.420 11.306 2.673 377 1HD2 LEU 46 1HD2 LEU 46 -12.382 10.807 -0.150 378 2HD2 LEU 46 2HD2 LEU 46 -10.818 10.660 -0.953 379 3HD2 LEU 46 3HD2 LEU 46 -11.091 11.948 0.222 380 H GLU 47 H GLU 47 -6.922 11.214 -1.245 381 HA GLU 47 HA GLU 47 -4.471 10.025 -0.839 382 1HB GLU 47 2HB GLU 47 -5.062 11.639 -2.624 383 2HB GLU 47 1HB GLU 47 -4.998 12.933 -1.440 384 1HG GLU 47 2HG GLU 47 -2.618 12.399 -1.051 385 2HG GLU 47 1HG GLU 47 -2.710 11.208 -2.349 386 H ALA 48 H ALA 48 -5.878 12.732 0.984 387 HA ALA 48 HA ALA 48 -3.423 13.153 2.429 388 1HB ALA 48 1HB ALA 48 -6.138 14.364 2.920 389 2HB ALA 48 2HB ALA 48 -4.914 15.015 1.830 390 3HB ALA 48 3HB ALA 48 -4.595 14.931 3.562 391 H GLU 49 H GLU 49 -5.604 10.752 2.672 392 HA GLU 49 HA GLU 49 -5.295 10.604 5.591 393 1HB GLU 49 2HB GLU 49 -7.452 9.478 3.819 394 2HB GLU 49 1HB GLU 49 -7.224 8.956 5.484 395 1HG GLU 49 2HG GLU 49 -7.430 11.402 6.120 396 2HG GLU 49 1HG GLU 49 -7.999 11.675 4.475 397 H ALA 50 H ALA 50 -3.979 9.446 2.836 398 HA ALA 50 HA ALA 50 -3.580 6.708 3.542 399 1HB ALA 50 1HB ALA 50 -3.290 7.492 1.242 400 2HB ALA 50 2HB ALA 50 -1.812 6.744 1.846 401 3HB ALA 50 3HB ALA 50 -1.936 8.500 1.750 402 H ARG 51 H ARG 51 -2.144 5.844 4.959 403 HA ARG 51 HA ARG 51 -0.546 7.717 6.516 404 1HB ARG 51 2HB ARG 51 -0.281 5.972 8.127 405 2HB ARG 51 1HB ARG 51 -1.965 5.973 7.626 406 1HG ARG 51 2HG ARG 51 -1.681 4.011 6.336 407 2HG ARG 51 1HG ARG 51 0.079 4.110 6.449 408 1HD ARG 51 2HD ARG 51 -0.072 3.744 8.874 409 2HD ARG 51 1HD ARG 51 -1.823 3.606 8.737 410 HE ARG 51 HE ARG 51 -1.396 1.603 7.308 411 1HH1 ARG 51 1HH1 ARG 51 1.101 2.709 9.519 412 2HH1 ARG 51 2HH1 ARG 51 1.767 1.128 9.768 413 1HH2 ARG 51 1HH2 ARG 51 -0.544 -0.474 7.645 414 2HH2 ARG 51 2HH2 ARG 51 0.838 -0.685 8.691 415 H SER 52 H SER 52 1.694 7.148 7.109 416 HA SER 52 HA SER 52 3.127 6.164 4.776 417 1HB SER 52 2HB SER 52 3.934 8.244 5.584 418 2HB SER 52 1HB SER 52 4.056 7.636 7.226 419 HG SER 52 HG SER 52 5.963 7.702 5.488 420 H LEU 53 H LEU 53 4.850 4.709 4.965 421 HA LEU 53 HA LEU 53 4.397 2.688 7.057 422 1HB LEU 53 2HB LEU 53 5.621 2.392 4.313 423 2HB LEU 53 1HB LEU 53 5.395 1.090 5.469 424 HG LEU 53 HG LEU 53 3.199 2.665 4.121 425 1HD1 LEU 53 1HD1 LEU 53 4.116 -0.181 3.779 426 2HD1 LEU 53 2HD1 LEU 53 4.313 1.128 2.615 427 3HD1 LEU 53 3HD1 LEU 53 2.699 0.539 3.016 428 1HD2 LEU 53 1HD2 LEU 53 2.535 2.017 6.366 429 2HD2 LEU 53 2HD2 LEU 53 3.046 0.358 6.057 430 3HD2 LEU 53 3HD2 LEU 53 1.684 1.040 5.168 431 H ASP 54 H ASP 54 6.458 5.132 6.229 432 HA ASP 54 HA ASP 54 8.907 3.731 7.008 433 1HB ASP 54 2HB ASP 54 9.006 5.224 5.055 434 2HB ASP 54 1HB ASP 54 8.494 6.577 6.059 435 H ALA 55 H ALA 55 6.532 5.862 8.256 436 HA ALA 55 HA ALA 55 8.216 6.900 10.372 437 1HB ALA 55 1HB ALA 55 6.528 8.315 9.267 438 2HB ALA 55 2HB ALA 55 6.294 8.210 11.012 439 3HB ALA 55 3HB ALA 55 5.261 7.281 9.927 440 H GLU 56 H GLU 56 7.265 3.967 10.073 441 HA GLU 56 HA GLU 56 5.948 3.656 12.670 442 1HB GLU 56 2HB GLU 56 5.069 2.506 10.585 443 2HB GLU 56 1HB GLU 56 6.512 1.506 10.626 444 1HG GLU 56 2HG GLU 56 5.879 0.581 12.746 445 2HG GLU 56 1HG GLU 56 4.510 1.688 12.866 446 H ALA 57 H ALA 57 6.951 2.702 14.373 447 HA ALA 57 HA ALA 57 9.809 2.722 14.326 448 1HB ALA 57 1HB ALA 57 7.945 1.932 16.556 449 2HB ALA 57 2HB ALA 57 8.546 3.561 16.243 450 3HB ALA 57 3HB ALA 57 9.666 2.281 16.707 451 HA PRO 58 HA PRO 58 10.173 -1.677 13.506 452 1HB PRO 58 2HB PRO 58 13.005 -1.285 13.292 453 2HB PRO 58 1HB PRO 58 11.836 -1.531 11.993 454 1HG PRO 58 2HG PRO 58 13.218 0.814 12.422 455 2HG PRO 58 1HG PRO 58 11.680 0.698 11.549 456 1HD PRO 58 2HD PRO 58 12.201 1.530 14.375 457 2HD PRO 58 1HD PRO 58 11.040 2.186 13.200 458 H ALA 59 H ALA 59 10.433 -3.287 14.910 459 HA ALA 59 HA ALA 59 11.739 -2.772 17.453 460 1HB ALA 59 1HB ALA 59 9.544 -3.857 17.458 461 2HB ALA 59 2HB ALA 59 10.776 -4.905 18.163 462 3HB ALA 59 3HB ALA 59 10.202 -5.198 16.521 463 H GLN 60 H GLN 60 11.960 -5.084 14.768 464 HA GLN 60 HA GLN 60 14.510 -6.038 15.824 465 1HB GLN 60 2HB GLN 60 14.323 -7.901 14.347 466 2HB GLN 60 1HB GLN 60 12.745 -7.683 15.084 467 1HG GLN 60 2HG GLN 60 13.336 -6.487 12.408 468 2HG GLN 60 1HG GLN 60 12.941 -8.196 12.547 469 1HE2 GLN 60 1HE2 GLN 60 11.045 -8.025 11.410 470 2HE2 GLN 60 2HE2 GLN 60 9.646 -7.223 12.031 471 HA PRO 61 HA PRO 61 16.718 -3.625 12.833 472 1HB PRO 61 2HB PRO 61 19.136 -4.778 13.049 473 2HB PRO 61 1HB PRO 61 18.460 -3.791 14.350 474 1HG PRO 61 2HG PRO 61 18.577 -6.769 14.092 475 2HG PRO 61 1HG PRO 61 18.859 -5.757 15.520 476 1HD PRO 61 2HD PRO 61 16.503 -7.078 15.015 477 2HD PRO 61 1HD PRO 61 16.626 -5.612 16.006 478 H SER 62 H SER 62 17.654 -3.790 10.737 479 HA SER 62 HA SER 62 17.352 -6.438 9.469 480 1HB SER 62 2HB SER 62 15.581 -4.765 8.810 481 2HB SER 62 1HB SER 62 16.861 -3.757 8.139 482 HG SER 62 HG SER 62 16.737 -4.922 6.407 483 H LEU 63 H LEU 63 18.869 -6.902 7.772 484 HA LEU 63 HA LEU 63 21.312 -5.283 8.016 485 1HB LEU 63 2HB LEU 63 21.053 -8.268 7.672 486 2HB LEU 63 1HB LEU 63 22.569 -7.391 7.593 487 HG LEU 63 HG LEU 63 20.776 -7.583 10.017 488 1HD1 LEU 63 1HD1 LEU 63 21.913 -9.677 9.517 489 2HD1 LEU 63 2HD1 LEU 63 22.594 -8.919 10.957 490 3HD1 LEU 63 3HD1 LEU 63 23.456 -8.827 9.422 491 1HD2 LEU 63 1HD2 LEU 63 23.481 -6.294 9.667 492 2HD2 LEU 63 2HD2 LEU 63 22.619 -6.479 11.195 493 3HD2 LEU 63 3HD2 LEU 63 21.956 -5.449 9.925 494 H GLU 64 H GLU 64 21.086 -4.041 6.230 495 HA GLU 64 HA GLU 64 21.119 -5.456 3.652 496 1HB GLU 64 2HB GLU 64 20.579 -3.291 2.614 497 2HB GLU 64 1HB GLU 64 19.362 -3.758 3.790 498 1HG GLU 64 2HG GLU 64 21.596 -1.846 4.410 499 2HG GLU 64 1HG GLU 64 20.036 -1.332 3.776 500 H HIS 65 H HIS 65 22.626 -4.425 1.996 501 HA HIS 65 HA HIS 65 25.251 -4.372 3.033 502 1HB HIS 65 2HB HIS 65 24.055 -3.802 0.351 503 2HB HIS 65 1HB HIS 65 25.727 -3.347 0.654 504 HD1 HIS 65 1HD HIS 65 23.528 -6.307 0.104 505 HD2 HIS 65 2HD HIS 65 27.515 -5.499 0.974 506 HE1 HIS 65 1HE HIS 65 24.761 -8.467 -0.283 507 HE2 HIS 65 2HE HIS 65 27.195 -7.906 0.069 508 H HIS 66 H HIS 66 26.023 -2.842 4.277 509 HA HIS 66 HA HIS 66 25.127 -0.124 4.202 510 1HB HIS 66 2HB HIS 66 26.003 -1.232 6.264 511 2HB HIS 66 1HB HIS 66 27.598 -1.285 5.524 512 HD1 HIS 66 1HD HIS 66 25.054 1.183 6.835 513 HD2 HIS 66 2HD HIS 66 29.083 1.015 5.795 514 HE1 HIS 66 1HE HIS 66 26.052 3.367 7.599 515 HE2 HIS 66 2HE HIS 66 28.509 3.193 7.074 516 H HIS 67 H HIS 67 25.433 0.330 1.973 517 HA HIS 67 HA HIS 67 28.152 1.175 1.332 518 1HB HIS 67 2HB HIS 67 27.644 -1.178 0.422 519 2HB HIS 67 1HB HIS 67 26.536 -0.375 -0.684 520 HD1 HIS 67 1HD HIS 67 27.630 1.266 -2.461 521 HD2 HIS 67 2HD HIS 67 30.307 -1.036 -0.250 522 HE1 HIS 67 1HE HIS 67 29.819 1.385 -3.697 523 HE2 HIS 67 2HE HIS 67 31.405 -0.077 -2.386 524 H HIS 68 H HIS 68 24.704 1.368 0.846 525 HA HIS 68 HA HIS 68 24.814 3.371 -1.202 526 1HB HIS 68 2HB HIS 68 22.868 1.770 -0.776 527 2HB HIS 68 1HB HIS 68 22.439 2.807 0.579 528 HD1 HIS 68 1HD HIS 68 20.996 4.783 0.058 529 HD2 HIS 68 2HD HIS 68 22.804 3.190 -3.333 530 HE1 HIS 68 1HE HIS 68 19.972 5.996 -1.893 531 HE2 HIS 68 2HE HIS 68 21.291 5.207 -3.890 532 H HIS 69 H HIS 69 26.413 4.560 0.043 533 HA HIS 69 HA HIS 69 25.655 7.009 0.997 534 1HB HIS 69 2HB HIS 69 24.660 5.679 2.930 535 2HB HIS 69 1HB HIS 69 26.296 5.174 3.334 536 HD1 HIS 69 1HD HIS 69 27.553 6.658 4.876 537 HD2 HIS 69 2HD HIS 69 24.299 8.587 3.142 538 HE1 HIS 69 1HE HIS 69 27.391 8.895 6.028 539 HE2 HIS 69 2HE HIS 69 25.517 10.107 4.847 540 H HIS 70 H HIS 70 27.777 4.456 2.181 541 HA HIS 70 HA HIS 70 29.783 4.623 0.384 542 1HB HIS 70 2HB HIS 70 30.136 6.984 1.316 543 2HB HIS 70 1HB HIS 70 30.708 6.199 2.789 544 HD1 HIS 70 1HD HIS 70 33.056 5.241 2.770 545 HD2 HIS 70 2HD HIS 70 31.776 6.492 -0.984 546 HE1 HIS 70 1HE HIS 70 35.068 5.067 1.270 547 HE2 HIS 70 2HE HIS 70 34.189 5.565 -1.035 Start of MODEL 14 1 1H MET 1 1H MET 1 -16.279 -7.962 -18.038 2 2H MET 1 2H MET 1 -17.489 -8.864 -18.807 3 3H MET 1 3H MET 1 -16.190 -9.652 -18.057 4 HA MET 1 HA MET 1 -18.200 -7.994 -16.655 5 1HB MET 1 2HB MET 1 -19.141 -10.081 -15.818 6 2HB MET 1 1HB MET 1 -19.193 -10.054 -17.573 7 1HG MET 1 2HG MET 1 -17.167 -11.475 -17.614 8 2HG MET 1 1HG MET 1 -17.241 -11.567 -15.856 9 1HE MET 1 1HE MET 1 -18.980 -12.540 -19.236 10 2HE MET 1 2HE MET 1 -20.209 -11.556 -18.440 11 3HE MET 1 3HE MET 1 -20.475 -13.283 -18.667 12 H GLU 2 H GLU 2 -17.803 -7.633 -14.536 13 HA GLU 2 HA GLU 2 -15.303 -8.733 -13.466 14 1HB GLU 2 2HB GLU 2 -16.944 -6.408 -12.435 15 2HB GLU 2 1HB GLU 2 -15.421 -6.962 -11.761 16 1HG GLU 2 2HG GLU 2 -14.604 -5.285 -13.018 17 2HG GLU 2 1HG GLU 2 -14.630 -6.523 -14.270 18 H SER 3 H SER 3 -16.314 -10.784 -13.082 19 HA SER 3 HA SER 3 -18.478 -10.903 -11.168 20 1HB SER 3 2HB SER 3 -16.871 -13.184 -12.330 21 2HB SER 3 1HB SER 3 -18.468 -13.273 -11.584 22 HG SER 3 HG SER 3 -19.340 -12.206 -13.317 23 H ARG 4 H ARG 4 -15.037 -11.135 -11.202 24 HA ARG 4 HA ARG 4 -14.899 -11.197 -8.343 25 1HB ARG 4 2HB ARG 4 -15.185 -13.630 -9.005 26 2HB ARG 4 1HB ARG 4 -13.639 -13.510 -9.835 27 1HG ARG 4 2HG ARG 4 -12.525 -13.021 -7.740 28 2HG ARG 4 1HG ARG 4 -14.074 -13.037 -6.892 29 1HD ARG 4 2HD ARG 4 -14.375 -15.398 -7.626 30 2HD ARG 4 1HD ARG 4 -12.740 -15.355 -8.285 31 HE ARG 4 HE ARG 4 -12.661 -14.556 -5.587 32 1HH1 ARG 4 1HH1 ARG 4 -13.212 -17.416 -7.546 33 2HH1 ARG 4 2HH1 ARG 4 -12.690 -18.518 -6.313 34 1HH2 ARG 4 1HH2 ARG 4 -11.984 -16.016 -3.954 35 2HH2 ARG 4 2HH2 ARG 4 -11.969 -17.725 -4.283 36 H LEU 5 H LEU 5 -13.041 -10.249 -7.662 37 HA LEU 5 HA LEU 5 -11.119 -9.047 -7.732 38 1HB LEU 5 2HB LEU 5 -10.261 -11.194 -8.842 39 2HB LEU 5 1HB LEU 5 -10.442 -10.355 -10.365 40 HG LEU 5 HG LEU 5 -8.718 -9.259 -8.151 41 1HD1 LEU 5 1HD1 LEU 5 -7.915 -11.122 -10.381 42 2HD1 LEU 5 2HD1 LEU 5 -7.930 -11.505 -8.659 43 3HD1 LEU 5 3HD1 LEU 5 -6.811 -10.293 -9.284 44 1HD2 LEU 5 1HD2 LEU 5 -7.614 -8.096 -9.993 45 2HD2 LEU 5 2HD2 LEU 5 -9.335 -7.709 -9.942 46 3HD2 LEU 5 3HD2 LEU 5 -8.720 -8.850 -11.140 47 H LEU 6 H LEU 6 -11.601 -6.977 -7.975 48 HA LEU 6 HA LEU 6 -12.869 -5.979 -10.359 49 1HB LEU 6 2HB LEU 6 -13.464 -5.165 -8.096 50 2HB LEU 6 1HB LEU 6 -11.856 -4.486 -7.938 51 HG LEU 6 HG LEU 6 -12.327 -2.960 -9.818 52 1HD1 LEU 6 1HD1 LEU 6 -15.100 -4.136 -9.701 53 2HD1 LEU 6 2HD1 LEU 6 -13.942 -4.336 -11.016 54 3HD1 LEU 6 3HD1 LEU 6 -14.608 -2.742 -10.663 55 1HD2 LEU 6 1HD2 LEU 6 -14.352 -2.881 -7.586 56 2HD2 LEU 6 2HD2 LEU 6 -13.920 -1.526 -8.630 57 3HD2 LEU 6 3HD2 LEU 6 -12.719 -2.217 -7.540 58 H ASP 7 H ASP 7 -11.996 -4.628 -11.887 59 HA ASP 7 HA ASP 7 -9.165 -4.967 -12.287 60 1HB ASP 7 2HB ASP 7 -10.819 -5.210 -14.127 61 2HB ASP 7 1HB ASP 7 -11.171 -3.489 -14.006 62 H ILE 8 H ILE 8 -11.296 -2.099 -12.260 63 HA ILE 8 HA ILE 8 -8.928 -0.408 -12.052 64 HB ILE 8 HB ILE 8 -11.808 0.360 -12.542 65 1HG1 ILE 8 2HG1 ILE 8 -9.459 0.200 -14.444 66 2HG1 ILE 8 1HG1 ILE 8 -10.798 -0.941 -14.382 67 1HG2 ILE 8 1HG2 ILE 8 -10.916 2.560 -13.147 68 2HG2 ILE 8 2HG2 ILE 8 -9.297 2.025 -12.698 69 3HG2 ILE 8 3HG2 ILE 8 -10.553 2.159 -11.468 70 1HD1 ILE 8 1HD1 ILE 8 -11.075 0.610 -16.215 71 2HD1 ILE 8 2HD1 ILE 8 -10.973 1.975 -15.104 72 3HD1 ILE 8 3HD1 ILE 8 -12.337 0.862 -15.009 73 H LEU 9 H LEU 9 -8.308 0.492 -10.220 74 HA LEU 9 HA LEU 9 -10.311 1.003 -8.127 75 1HB LEU 9 2HB LEU 9 -7.483 0.006 -7.784 76 2HB LEU 9 1HB LEU 9 -8.462 0.619 -6.466 77 HG LEU 9 HG LEU 9 -9.161 -1.792 -8.148 78 1HD1 LEU 9 1HD1 LEU 9 -8.046 -1.636 -5.351 79 2HD1 LEU 9 2HD1 LEU 9 -7.177 -2.187 -6.783 80 3HD1 LEU 9 3HD1 LEU 9 -8.560 -3.102 -6.184 81 1HD2 LEU 9 1HD2 LEU 9 -11.114 -0.653 -7.238 82 2HD2 LEU 9 2HD2 LEU 9 -10.402 -0.698 -5.625 83 3HD2 LEU 9 3HD2 LEU 9 -10.851 -2.200 -6.432 84 H VAL 10 H VAL 10 -10.187 2.990 -7.136 85 HA VAL 10 HA VAL 10 -8.034 4.787 -8.024 86 HB VAL 10 HB VAL 10 -9.687 6.636 -8.155 87 1HG1 VAL 10 1HG1 VAL 10 -8.961 5.482 -10.184 88 2HG1 VAL 10 2HG1 VAL 10 -10.630 6.039 -10.311 89 3HG1 VAL 10 3HG1 VAL 10 -10.287 4.334 -10.007 90 1HG2 VAL 10 1HG2 VAL 10 -11.413 5.678 -6.728 91 2HG2 VAL 10 2HG2 VAL 10 -11.728 4.431 -7.937 92 3HG2 VAL 10 3HG2 VAL 10 -12.063 6.124 -8.305 93 H CYS 11 H CYS 11 -7.823 6.727 -6.685 94 HA CYS 11 HA CYS 11 -7.743 6.192 -3.922 95 1HB CYS 11 2HB CYS 11 -6.266 7.828 -4.995 96 2HB CYS 11 1HB CYS 11 -7.650 8.829 -5.410 97 HG CYS 11 HG CYS 11 -5.943 9.769 -3.208 98 HA PRO 12 HA PRO 12 -12.103 6.582 -3.156 99 1HB PRO 12 2HB PRO 12 -11.927 6.758 -0.409 100 2HB PRO 12 1HB PRO 12 -11.899 5.246 -1.319 101 1HG PRO 12 2HG PRO 12 -9.622 6.831 -0.208 102 2HG PRO 12 1HG PRO 12 -9.860 5.073 -0.233 103 1HD PRO 12 2HD PRO 12 -8.215 6.291 -1.970 104 2HD PRO 12 1HD PRO 12 -9.200 4.894 -2.453 105 H VAL 13 H VAL 13 -9.739 8.907 -2.082 106 HA VAL 13 HA VAL 13 -11.870 10.805 -1.403 107 HB VAL 13 HB VAL 13 -8.908 11.058 -0.874 108 1HG1 VAL 13 1HG1 VAL 13 -11.252 12.669 0.134 109 2HG1 VAL 13 2HG1 VAL 13 -10.033 13.208 -1.020 110 3HG1 VAL 13 3HG1 VAL 13 -9.575 12.864 0.648 111 1HG2 VAL 13 1HG2 VAL 13 -11.144 10.231 0.984 112 2HG2 VAL 13 2HG2 VAL 13 -9.472 10.526 1.464 113 3HG2 VAL 13 3HG2 VAL 13 -9.857 9.192 0.377 114 H CYS 14 H CYS 14 -8.719 10.857 -3.111 115 HA CYS 14 HA CYS 14 -9.491 13.336 -4.393 116 1HB CYS 14 2HB CYS 14 -6.927 11.748 -4.595 117 2HB CYS 14 1HB CYS 14 -7.182 13.362 -5.248 118 HG CYS 14 HG CYS 14 -5.670 12.990 -2.668 119 H LYS 15 H LYS 15 -9.957 10.134 -5.095 120 HA LYS 15 HA LYS 15 -10.633 8.974 -6.917 121 1HB LYS 15 2HB LYS 15 -11.133 11.741 -8.016 122 2HB LYS 15 1HB LYS 15 -11.768 10.249 -8.699 123 1HG LYS 15 2HG LYS 15 -12.324 11.138 -5.881 124 2HG LYS 15 1HG LYS 15 -13.355 11.555 -7.247 125 1HD LYS 15 2HD LYS 15 -13.884 9.262 -7.642 126 2HD LYS 15 1HD LYS 15 -12.639 8.723 -6.512 127 1HE LYS 15 2HE LYS 15 -13.851 9.617 -4.649 128 2HE LYS 15 1HE LYS 15 -15.027 10.382 -5.715 129 1HZ LYS 15 1HZ LYS 15 -15.686 8.220 -4.611 130 2HZ LYS 15 2HZ LYS 15 -14.628 7.451 -5.687 131 3HZ LYS 15 3HZ LYS 15 -15.952 8.332 -6.281 132 H GLY 16 H GLY 16 -7.795 9.996 -6.736 133 1HA GLY 16 2HA GLY 16 -6.898 10.192 -9.456 134 2HA GLY 16 1HA GLY 16 -5.882 9.986 -8.033 135 H ARG 17 H ARG 17 -5.280 8.614 -10.330 136 HA ARG 17 HA ARG 17 -6.539 6.016 -10.316 137 1HB ARG 17 2HB ARG 17 -5.747 7.070 -12.410 138 2HB ARG 17 1HB ARG 17 -4.097 6.994 -11.808 139 1HG ARG 17 2HG ARG 17 -4.319 4.507 -11.716 140 2HG ARG 17 1HG ARG 17 -5.885 4.674 -12.514 141 1HD ARG 17 2HD ARG 17 -4.156 4.167 -14.143 142 2HD ARG 17 1HD ARG 17 -4.787 5.793 -14.403 143 HE ARG 17 HE ARG 17 -2.284 5.357 -12.910 144 1HH1 ARG 17 1HH1 ARG 17 -3.994 6.757 -15.625 145 2HH1 ARG 17 2HH1 ARG 17 -2.709 7.855 -16.025 146 1HH2 ARG 17 1HH2 ARG 17 -0.578 6.738 -13.465 147 2HH2 ARG 17 2HH2 ARG 17 -0.760 7.836 -14.806 148 H LEU 18 H LEU 18 -5.906 4.278 -9.202 149 HA LEU 18 HA LEU 18 -3.446 4.385 -7.650 150 1HB LEU 18 2HB LEU 18 -5.622 2.290 -7.778 151 2HB LEU 18 1HB LEU 18 -4.251 2.248 -6.689 152 HG LEU 18 HG LEU 18 -6.487 4.274 -6.677 153 1HD1 LEU 18 1HD1 LEU 18 -5.731 2.105 -4.721 154 2HD1 LEU 18 2HD1 LEU 18 -7.143 2.115 -5.778 155 3HD1 LEU 18 3HD1 LEU 18 -7.001 3.305 -4.486 156 1HD2 LEU 18 1HD2 LEU 18 -4.385 5.330 -6.089 157 2HD2 LEU 18 2HD2 LEU 18 -4.055 4.060 -4.910 158 3HD2 LEU 18 3HD2 LEU 18 -5.412 5.160 -4.665 159 H GLU 19 H GLU 19 -1.656 3.187 -8.070 160 HA GLU 19 HA GLU 19 -1.788 1.345 -10.349 161 1HB GLU 19 2HB GLU 19 0.274 3.466 -9.780 162 2HB GLU 19 1HB GLU 19 0.519 2.167 -10.936 163 1HG GLU 19 2HG GLU 19 -1.499 2.930 -12.154 164 2HG GLU 19 1HG GLU 19 -1.617 4.287 -11.037 165 H PHE 20 H PHE 20 -0.914 -0.576 -10.037 166 HA PHE 20 HA PHE 20 -0.163 -1.252 -7.344 167 1HB PHE 20 2HB PHE 20 -1.661 -2.653 -8.771 168 2HB PHE 20 1HB PHE 20 -0.278 -3.026 -9.793 169 HD1 PHE 20 1HD PHE 20 -1.543 -3.312 -6.318 170 HD2 PHE 20 2HD PHE 20 1.130 -4.808 -9.273 171 HE1 PHE 20 1HE PHE 20 -0.990 -5.211 -4.852 172 HE2 PHE 20 2HE PHE 20 1.685 -6.708 -7.816 173 HZ PHE 20 HZ PHE 20 0.623 -6.912 -5.604 174 H GLN 21 H GLN 21 1.817 -1.646 -6.552 175 HA GLN 21 HA GLN 21 4.068 -1.663 -8.441 176 1HB GLN 21 2HB GLN 21 3.859 -0.779 -5.571 177 2HB GLN 21 1HB GLN 21 5.409 -1.109 -6.328 178 1HG GLN 21 2HG GLN 21 3.402 0.887 -7.346 179 2HG GLN 21 1HG GLN 21 4.783 1.279 -6.326 180 1HE2 GLN 21 1HE2 GLN 21 5.681 2.630 -7.866 181 2HE2 GLN 21 2HE2 GLN 21 6.417 2.035 -9.314 182 H ARG 22 H ARG 22 5.972 -2.948 -7.658 183 HA ARG 22 HA ARG 22 4.951 -5.593 -6.860 184 1HB ARG 22 2HB ARG 22 7.449 -4.930 -8.433 185 2HB ARG 22 1HB ARG 22 6.779 -6.532 -8.152 186 1HG ARG 22 2HG ARG 22 5.450 -4.332 -9.717 187 2HG ARG 22 1HG ARG 22 6.293 -5.724 -10.401 188 1HD ARG 22 2HD ARG 22 4.690 -7.233 -9.442 189 2HD ARG 22 1HD ARG 22 3.913 -5.918 -8.562 190 HE ARG 22 HE ARG 22 3.768 -5.197 -11.209 191 1HH1 ARG 22 1HH1 ARG 22 2.689 -7.941 -9.294 192 2HH1 ARG 22 2HH1 ARG 22 1.273 -8.213 -10.275 193 1HH2 ARG 22 1HH2 ARG 22 1.931 -5.567 -12.483 194 2HH2 ARG 22 2HH2 ARG 22 0.861 -6.888 -12.110 195 H ALA 23 H ALA 23 5.904 -3.397 -5.057 196 HA ALA 23 HA ALA 23 8.421 -4.430 -4.025 197 1HB ALA 23 1HB ALA 23 6.701 -2.152 -3.036 198 2HB ALA 23 2HB ALA 23 8.089 -2.010 -4.114 199 3HB ALA 23 3HB ALA 23 8.316 -2.557 -2.454 200 H GLN 24 H GLN 24 5.380 -3.533 -2.384 201 HA GLN 24 HA GLN 24 5.546 -6.093 -0.924 202 1HB GLN 24 2HB GLN 24 6.268 -4.013 0.403 203 2HB GLN 24 1HB GLN 24 4.579 -3.528 0.339 204 1HG GLN 24 2HG GLN 24 4.209 -5.969 1.277 205 2HG GLN 24 1HG GLN 24 5.864 -5.743 1.843 206 1HE2 GLN 24 1HE2 GLN 24 2.578 -4.687 2.079 207 2HE2 GLN 24 2HE2 GLN 24 2.756 -3.770 3.540 208 H ALA 25 H ALA 25 4.044 -5.136 -3.278 209 HA ALA 25 HA ALA 25 1.985 -5.254 -4.205 210 1HB ALA 25 1HB ALA 25 1.215 -6.687 -1.664 211 2HB ALA 25 2HB ALA 25 1.841 -7.441 -3.131 212 3HB ALA 25 3HB ALA 25 0.270 -6.638 -3.152 213 H GLU 26 H GLU 26 2.048 -2.936 -3.958 214 HA GLU 26 HA GLU 26 -0.091 -1.999 -2.180 215 1HB GLU 26 2HB GLU 26 1.176 0.127 -1.890 216 2HB GLU 26 1HB GLU 26 1.942 -1.269 -1.148 217 1HG GLU 26 2HG GLU 26 2.755 -0.382 -3.888 218 2HG GLU 26 1HG GLU 26 3.379 0.437 -2.457 219 H LEU 27 H LEU 27 -1.379 -0.359 -2.942 220 HA LEU 27 HA LEU 27 -1.187 0.234 -5.809 221 1HB LEU 27 2HB LEU 27 -3.397 0.986 -3.896 222 2HB LEU 27 1HB LEU 27 -3.444 1.065 -5.642 223 HG LEU 27 HG LEU 27 -3.212 -1.508 -4.089 224 1HD1 LEU 27 1HD1 LEU 27 -5.571 -1.842 -4.632 225 2HD1 LEU 27 2HD1 LEU 27 -5.640 -0.222 -5.326 226 3HD1 LEU 27 3HD1 LEU 27 -5.334 -0.431 -3.601 227 1HD2 LEU 27 1HD2 LEU 27 -2.333 -1.631 -6.355 228 2HD2 LEU 27 2HD2 LEU 27 -3.831 -0.948 -6.988 229 3HD2 LEU 27 3HD2 LEU 27 -3.841 -2.536 -6.221 230 H VAL 28 H VAL 28 0.089 1.922 -6.213 231 HA VAL 28 HA VAL 28 0.497 3.962 -4.202 232 HB VAL 28 HB VAL 28 1.717 3.569 -6.938 233 1HG1 VAL 28 1HG1 VAL 28 1.670 5.943 -6.374 234 2HG1 VAL 28 2HG1 VAL 28 3.313 5.308 -6.315 235 3HG1 VAL 28 3HG1 VAL 28 2.424 5.595 -4.818 236 1HG2 VAL 28 1HG2 VAL 28 2.387 1.895 -5.333 237 2HG2 VAL 28 2HG2 VAL 28 2.787 3.144 -4.154 238 3HG2 VAL 28 3HG2 VAL 28 3.726 3.001 -5.640 239 H CYS 29 H CYS 29 -0.525 5.805 -4.103 240 HA CYS 29 HA CYS 29 -2.269 6.697 -6.230 241 1HB CYS 29 2HB CYS 29 -1.538 8.237 -3.735 242 2HB CYS 29 1HB CYS 29 -2.994 8.386 -4.710 243 HG CYS 29 HG CYS 29 -3.965 7.273 -2.481 244 H ASN 30 H ASN 30 -0.975 7.276 -7.952 245 HA ASN 30 HA ASN 30 1.403 8.831 -7.575 246 1HB ASN 30 2HB ASN 30 -0.039 7.756 -9.972 247 2HB ASN 30 1HB ASN 30 1.211 8.981 -10.182 248 1HD2 ASN 30 1HD2 ASN 30 1.130 6.134 -10.981 249 2HD2 ASN 30 2HD2 ASN 30 2.540 5.422 -10.259 250 H ALA 31 H ALA 31 -0.389 10.194 -6.351 251 HA ALA 31 HA ALA 31 -0.335 12.746 -7.673 252 1HB ALA 31 1HB ALA 31 -2.470 11.861 -8.513 253 2HB ALA 31 2HB ALA 31 -2.723 13.216 -7.412 254 3HB ALA 31 3HB ALA 31 -2.995 11.565 -6.855 255 H ASP 32 H ASP 32 -1.639 10.837 -5.006 256 HA ASP 32 HA ASP 32 -1.340 12.991 -3.099 257 1HB ASP 32 2HB ASP 32 -2.159 10.100 -2.729 258 2HB ASP 32 1HB ASP 32 -2.195 11.326 -1.470 259 H ARG 33 H ARG 33 0.647 10.592 -4.371 260 HA ARG 33 HA ARG 33 2.614 9.609 -3.792 261 1HB ARG 33 2HB ARG 33 2.688 11.821 -1.746 262 2HB ARG 33 1HB ARG 33 3.992 10.669 -1.969 263 1HG ARG 33 2HG ARG 33 3.987 11.453 -4.417 264 2HG ARG 33 1HG ARG 33 3.056 12.829 -3.813 265 1HD ARG 33 2HD ARG 33 4.821 13.298 -2.186 266 2HD ARG 33 1HD ARG 33 5.745 11.932 -2.802 267 HE ARG 33 HE ARG 33 5.114 13.841 -4.849 268 1HH1 ARG 33 1HH1 ARG 33 7.340 13.103 -2.236 269 2HH1 ARG 33 2HH1 ARG 33 8.616 14.089 -2.873 270 1HH2 ARG 33 1HH2 ARG 33 6.822 15.149 -5.689 271 2HH2 ARG 33 2HH2 ARG 33 8.328 15.238 -4.819 272 H LEU 34 H LEU 34 0.150 8.641 -2.727 273 HA LEU 34 HA LEU 34 0.986 7.579 -0.114 274 1HB LEU 34 2HB LEU 34 -1.749 7.797 -1.369 275 2HB LEU 34 1HB LEU 34 -1.434 6.918 0.111 276 HG LEU 34 HG LEU 34 -0.952 9.872 -0.244 277 1HD1 LEU 34 1HD1 LEU 34 -3.330 9.356 -0.390 278 2HD1 LEU 34 2HD1 LEU 34 -2.955 10.166 1.131 279 3HD1 LEU 34 3HD1 LEU 34 -3.228 8.424 1.104 280 1HD2 LEU 34 1HD2 LEU 34 -0.958 8.127 2.212 281 2HD2 LEU 34 2HD2 LEU 34 -0.739 9.877 2.187 282 3HD2 LEU 34 3HD2 LEU 34 0.467 8.825 1.445 283 H ALA 35 H ALA 35 0.182 5.301 0.290 284 HA ALA 35 HA ALA 35 -0.025 3.660 -2.114 285 1HB ALA 35 1HB ALA 35 1.748 2.160 -1.441 286 2HB ALA 35 2HB ALA 35 2.060 3.132 -0.002 287 3HB ALA 35 3HB ALA 35 2.384 3.798 -1.603 288 H PHE 36 H PHE 36 -1.793 2.502 -1.792 289 HA PHE 36 HA PHE 36 -2.625 1.758 0.894 290 1HB PHE 36 2HB PHE 36 -3.897 1.268 -1.806 291 2HB PHE 36 1HB PHE 36 -4.599 0.755 -0.275 292 HD1 PHE 36 2HD PHE 36 -4.773 2.731 1.514 293 HD2 PHE 36 1HD PHE 36 -4.654 3.224 -2.710 294 HE1 PHE 36 2HE PHE 36 -5.875 4.914 1.746 295 HE2 PHE 36 1HE PHE 36 -5.757 5.416 -2.485 296 HZ PHE 36 HZ PHE 36 -6.371 6.260 -0.251 297 HA PRO 37 HA PRO 37 -0.330 -2.021 0.390 298 1HB PRO 37 2HB PRO 37 -0.648 -2.948 2.894 299 2HB PRO 37 1HB PRO 37 0.423 -1.589 2.531 300 1HG PRO 37 2HG PRO 37 -2.347 -1.577 3.660 301 2HG PRO 37 1HG PRO 37 -0.947 -0.588 4.113 302 1HD PRO 37 2HD PRO 37 -2.985 0.281 2.486 303 2HD PRO 37 1HD PRO 37 -1.336 0.934 2.443 304 H VAL 38 H VAL 38 -1.033 -3.825 -0.548 305 HA VAL 38 HA VAL 38 -3.728 -4.795 0.003 306 HB VAL 38 HB VAL 38 -1.720 -5.835 -2.011 307 1HG1 VAL 38 1HG1 VAL 38 -4.684 -6.301 -1.748 308 2HG1 VAL 38 2HG1 VAL 38 -3.405 -7.468 -1.409 309 3HG1 VAL 38 3HG1 VAL 38 -3.660 -6.892 -3.056 310 1HG2 VAL 38 1HG2 VAL 38 -2.989 -4.604 -3.691 311 2HG2 VAL 38 2HG2 VAL 38 -2.294 -3.518 -2.488 312 3HG2 VAL 38 3HG2 VAL 38 -4.011 -3.918 -2.425 313 H ARG 39 H ARG 39 -3.611 -5.725 1.978 314 HA ARG 39 HA ARG 39 -1.392 -7.374 2.754 315 1HB ARG 39 2HB ARG 39 -2.509 -5.961 4.399 316 2HB ARG 39 1HB ARG 39 -4.022 -6.816 4.139 317 1HG ARG 39 2HG ARG 39 -3.071 -8.841 5.061 318 2HG ARG 39 1HG ARG 39 -1.503 -8.047 5.238 319 1HD ARG 39 2HD ARG 39 -2.421 -6.487 6.827 320 2HD ARG 39 1HD ARG 39 -4.044 -7.131 6.577 321 HE ARG 39 HE ARG 39 -2.460 -9.256 7.407 322 1HH1 ARG 39 1HH1 ARG 39 -3.447 -6.160 8.691 323 2HH1 ARG 39 2HH1 ARG 39 -3.479 -6.695 10.341 324 1HH2 ARG 39 1HH2 ARG 39 -2.514 -9.993 9.565 325 2HH2 ARG 39 2HH2 ARG 39 -2.966 -8.895 10.843 326 H ASP 40 H ASP 40 -1.331 -9.098 1.386 327 HA ASP 40 HA ASP 40 -1.742 -11.191 0.631 328 1HB ASP 40 2HB ASP 40 -1.698 -11.589 3.112 329 2HB ASP 40 1HB ASP 40 -3.456 -11.494 3.102 330 H GLY 41 H GLY 41 -3.364 -9.218 -0.466 331 1HA GLY 41 2HA GLY 41 -4.916 -9.732 -2.233 332 2HA GLY 41 1HA GLY 41 -5.688 -10.887 -1.156 333 H VAL 42 H VAL 42 -5.493 -8.850 1.068 334 HA VAL 42 HA VAL 42 -7.963 -7.445 0.368 335 HB VAL 42 HB VAL 42 -6.628 -7.694 3.077 336 1HG1 VAL 42 1HG1 VAL 42 -9.389 -6.764 2.307 337 2HG1 VAL 42 2HG1 VAL 42 -8.075 -5.756 2.916 338 3HG1 VAL 42 3HG1 VAL 42 -8.801 -6.983 3.954 339 1HG2 VAL 42 1HG2 VAL 42 -8.363 -9.375 3.570 340 2HG2 VAL 42 2HG2 VAL 42 -7.299 -9.889 2.263 341 3HG2 VAL 42 3HG2 VAL 42 -8.914 -9.284 1.897 342 HA PRO 43 HA PRO 43 -5.251 -3.866 -0.161 343 1HB PRO 43 2HB PRO 43 -7.566 -2.618 -1.409 344 2HB PRO 43 1HB PRO 43 -6.022 -3.064 -2.138 345 1HG PRO 43 2HG PRO 43 -8.354 -4.329 -2.725 346 2HG PRO 43 1HG PRO 43 -6.775 -5.131 -2.785 347 1HD PRO 43 2HD PRO 43 -8.873 -5.235 -0.649 348 2HD PRO 43 1HD PRO 43 -7.867 -6.546 -1.306 349 H ILE 44 H ILE 44 -5.001 -2.829 1.715 350 HA ILE 44 HA ILE 44 -7.241 -1.955 3.286 351 HB ILE 44 HB ILE 44 -4.304 -1.298 3.632 352 1HG1 ILE 44 2HG1 ILE 44 -4.684 -3.715 3.702 353 2HG1 ILE 44 1HG1 ILE 44 -4.299 -3.106 5.307 354 1HG2 ILE 44 1HG2 ILE 44 -6.616 -1.094 5.559 355 2HG2 ILE 44 2HG2 ILE 44 -5.745 0.252 4.824 356 3HG2 ILE 44 3HG2 ILE 44 -4.920 -0.816 5.959 357 1HD1 ILE 44 1HD1 ILE 44 -7.043 -3.809 4.282 358 2HD1 ILE 44 2HD1 ILE 44 -6.678 -3.175 5.887 359 3HD1 ILE 44 3HD1 ILE 44 -6.064 -4.755 5.405 360 H MET 45 H MET 45 -8.383 -0.505 2.054 361 HA MET 45 HA MET 45 -7.066 1.842 0.966 362 1HB MET 45 2HB MET 45 -9.973 1.017 0.996 363 2HB MET 45 1HB MET 45 -9.343 2.435 0.170 364 1HG MET 45 2HG MET 45 -7.983 1.005 -1.268 365 2HG MET 45 1HG MET 45 -8.588 -0.417 -0.422 366 1HE MET 45 1HE MET 45 -9.456 2.556 -2.811 367 2HE MET 45 2HE MET 45 -10.605 2.824 -1.498 368 3HE MET 45 3HE MET 45 -11.185 2.323 -3.082 369 H LEU 46 H LEU 46 -7.664 1.075 3.942 370 HA LEU 46 HA LEU 46 -9.158 3.354 4.885 371 1HB LEU 46 2HB LEU 46 -7.476 1.360 6.413 372 2HB LEU 46 1HB LEU 46 -8.579 2.523 7.122 373 HG LEU 46 HG LEU 46 -9.414 0.261 5.302 374 1HD1 LEU 46 1HD1 LEU 46 -8.530 -0.566 7.425 375 2HD1 LEU 46 2HD1 LEU 46 -10.275 -0.800 7.319 376 3HD1 LEU 46 3HD1 LEU 46 -9.618 0.510 8.301 377 1HD2 LEU 46 1HD2 LEU 46 -10.933 2.159 5.215 378 2HD2 LEU 46 2HD2 LEU 46 -11.020 2.193 6.975 379 3HD2 LEU 46 3HD2 LEU 46 -11.674 0.817 6.087 380 H GLU 47 H GLU 47 -8.293 5.318 4.940 381 HA GLU 47 HA GLU 47 -5.580 5.857 4.451 382 1HB GLU 47 2HB GLU 47 -7.331 7.448 3.920 383 2HB GLU 47 1HB GLU 47 -7.751 7.605 5.618 384 1HG GLU 47 2HG GLU 47 -5.569 8.601 6.062 385 2HG GLU 47 1HG GLU 47 -5.157 8.454 4.354 386 H ALA 48 H ALA 48 -7.366 5.453 7.437 387 HA ALA 48 HA ALA 48 -5.438 6.546 9.194 388 1HB ALA 48 1HB ALA 48 -7.774 6.160 9.833 389 2HB ALA 48 2HB ALA 48 -6.650 5.391 10.955 390 3HB ALA 48 3HB ALA 48 -7.500 4.420 9.753 391 H GLU 49 H GLU 49 -5.587 3.555 7.483 392 HA GLU 49 HA GLU 49 -3.360 2.494 9.094 393 1HB GLU 49 2HB GLU 49 -5.593 1.011 7.700 394 2HB GLU 49 1HB GLU 49 -4.167 0.220 8.359 395 1HG GLU 49 2HG GLU 49 -4.748 0.991 10.586 396 2HG GLU 49 1HG GLU 49 -6.140 1.853 9.940 397 H ALA 50 H ALA 50 -3.460 4.217 6.631 398 HA ALA 50 HA ALA 50 -2.181 2.430 4.690 399 1HB ALA 50 1HB ALA 50 -2.481 4.202 3.075 400 2HB ALA 50 2HB ALA 50 -3.074 5.290 4.331 401 3HB ALA 50 3HB ALA 50 -4.011 3.863 3.884 402 H ARG 51 H ARG 51 -0.460 3.921 3.348 403 HA ARG 51 HA ARG 51 1.301 5.278 5.248 404 1HB ARG 51 2HB ARG 51 3.266 4.008 4.315 405 2HB ARG 51 1HB ARG 51 2.183 3.061 5.327 406 1HG ARG 51 2HG ARG 51 1.188 2.043 3.378 407 2HG ARG 51 1HG ARG 51 2.144 3.072 2.312 408 1HD ARG 51 2HD ARG 51 4.173 2.009 2.985 409 2HD ARG 51 1HD ARG 51 3.354 1.137 4.281 410 HE ARG 51 HE ARG 51 2.136 -0.058 2.467 411 1HH1 ARG 51 1HH1 ARG 51 5.300 1.331 1.869 412 2HH1 ARG 51 2HH1 ARG 51 5.618 0.295 0.509 413 1HH2 ARG 51 1HH2 ARG 51 2.605 -1.450 0.718 414 2HH2 ARG 51 2HH2 ARG 51 4.102 -1.277 -0.151 415 H SER 52 H SER 52 2.634 6.818 4.345 416 HA SER 52 HA SER 52 2.050 7.522 1.574 417 1HB SER 52 2HB SER 52 1.803 9.329 3.087 418 2HB SER 52 1HB SER 52 3.361 9.021 3.828 419 HG SER 52 HG SER 52 2.721 10.430 1.556 420 H LEU 53 H LEU 53 3.767 8.158 0.163 421 HA LEU 53 HA LEU 53 5.798 6.138 0.085 422 1HB LEU 53 2HB LEU 53 5.290 8.538 -1.672 423 2HB LEU 53 1HB LEU 53 6.517 7.326 -1.998 424 HG LEU 53 HG LEU 53 3.536 6.847 -1.905 425 1HD1 LEU 53 1HD1 LEU 53 3.778 6.470 -4.310 426 2HD1 LEU 53 2HD1 LEU 53 5.484 6.906 -4.203 427 3HD1 LEU 53 3HD1 LEU 53 4.243 8.110 -3.857 428 1HD2 LEU 53 1HD2 LEU 53 4.808 4.902 -1.129 429 2HD2 LEU 53 2HD2 LEU 53 5.791 4.962 -2.594 430 3HD2 LEU 53 3HD2 LEU 53 4.066 4.609 -2.701 431 H ASP 54 H ASP 54 5.642 9.359 1.259 432 HA ASP 54 HA ASP 54 8.579 9.549 1.314 433 1HB ASP 54 2HB ASP 54 7.339 11.397 0.198 434 2HB ASP 54 1HB ASP 54 6.535 11.742 1.724 435 H ALA 55 H ALA 55 5.963 8.773 3.228 436 HA ALA 55 HA ALA 55 7.230 9.774 5.683 437 1HB ALA 55 1HB ALA 55 4.915 10.493 5.302 438 2HB ALA 55 2HB ALA 55 5.080 9.513 6.759 439 3HB ALA 55 3HB ALA 55 4.405 8.804 5.293 440 H GLU 56 H GLU 56 7.833 7.266 4.050 441 HA GLU 56 HA GLU 56 7.270 5.200 6.017 442 1HB GLU 56 2HB GLU 56 8.780 5.098 3.401 443 2HB GLU 56 1HB GLU 56 8.513 3.710 4.445 444 1HG GLU 56 2HG GLU 56 6.050 4.130 4.183 445 2HG GLU 56 1HG GLU 56 6.465 5.303 2.934 446 H ALA 57 H ALA 57 9.405 3.675 6.180 447 HA ALA 57 HA ALA 57 11.409 3.338 7.180 448 1HB ALA 57 1HB ALA 57 12.342 4.765 5.406 449 2HB ALA 57 2HB ALA 57 13.204 4.946 6.932 450 3HB ALA 57 3HB ALA 57 12.062 6.186 6.416 451 HA PRO 58 HA PRO 58 10.712 4.579 11.344 452 1HB PRO 58 2HB PRO 58 13.601 4.229 11.826 453 2HB PRO 58 1HB PRO 58 12.228 3.390 12.555 454 1HG PRO 58 2HG PRO 58 13.821 2.168 10.785 455 2HG PRO 58 1HG PRO 58 12.074 1.862 10.829 456 1HD PRO 58 2HD PRO 58 13.650 3.582 8.947 457 2HD PRO 58 1HD PRO 58 12.294 2.485 8.604 458 H ALA 59 H ALA 59 10.272 6.770 11.061 459 HA ALA 59 HA ALA 59 12.278 8.775 10.920 460 1HB ALA 59 1HB ALA 59 9.959 9.198 10.251 461 2HB ALA 59 2HB ALA 59 10.490 10.341 11.483 462 3HB ALA 59 3HB ALA 59 9.436 8.996 11.923 463 H GLN 60 H GLN 60 10.525 7.230 13.541 464 HA GLN 60 HA GLN 60 11.875 8.634 15.645 465 1HB GLN 60 2HB GLN 60 9.656 7.482 15.895 466 2HB GLN 60 1HB GLN 60 10.480 5.943 15.706 467 1HG GLN 60 2HG GLN 60 10.209 6.151 17.995 468 2HG GLN 60 1HG GLN 60 11.877 6.659 17.729 469 1HE2 GLN 60 1HE2 GLN 60 8.654 7.669 18.528 470 2HE2 GLN 60 2HE2 GLN 60 9.076 9.235 19.145 471 HA PRO 61 HA PRO 61 15.827 6.640 15.100 472 1HB PRO 61 2HB PRO 61 16.596 6.877 17.778 473 2HB PRO 61 1HB PRO 61 16.878 8.073 16.511 474 1HG PRO 61 2HG PRO 61 14.727 7.966 18.574 475 2HG PRO 61 1HG PRO 61 15.593 9.369 17.922 476 1HD PRO 61 2HD PRO 61 13.101 8.816 17.155 477 2HD PRO 61 1HD PRO 61 14.298 9.432 15.994 478 H SER 62 H SER 62 15.770 4.507 14.800 479 HA SER 62 HA SER 62 14.773 2.789 16.959 480 1HB SER 62 2HB SER 62 13.721 2.557 14.721 481 2HB SER 62 1HB SER 62 15.289 2.110 14.051 482 HG SER 62 HG SER 62 14.534 0.169 14.526 483 H LEU 63 H LEU 63 16.227 1.894 18.221 484 HA LEU 63 HA LEU 63 19.007 1.714 17.550 485 1HB LEU 63 2HB LEU 63 17.741 1.929 19.877 486 2HB LEU 63 1HB LEU 63 17.772 0.180 19.803 487 HG LEU 63 HG LEU 63 20.237 1.917 19.659 488 1HD1 LEU 63 1HD1 LEU 63 20.625 1.218 21.979 489 2HD1 LEU 63 2HD1 LEU 63 19.038 0.447 21.998 490 3HD1 LEU 63 3HD1 LEU 63 19.168 2.196 21.809 491 1HD2 LEU 63 1HD2 LEU 63 21.426 -0.162 20.160 492 2HD2 LEU 63 2HD2 LEU 63 20.536 -0.276 18.642 493 3HD2 LEU 63 3HD2 LEU 63 19.902 -1.049 20.095 494 H GLU 64 H GLU 64 19.999 0.052 16.520 495 HA GLU 64 HA GLU 64 18.324 -1.992 15.434 496 1HB GLU 64 2HB GLU 64 21.231 -1.349 15.147 497 2HB GLU 64 1HB GLU 64 20.575 -2.851 14.516 498 1HG GLU 64 2HG GLU 64 18.847 -1.295 13.362 499 2HG GLU 64 1HG GLU 64 20.068 -0.052 13.643 500 H HIS 65 H HIS 65 18.085 -4.014 15.951 501 HA HIS 65 HA HIS 65 20.106 -5.401 17.519 502 1HB HIS 65 2HB HIS 65 18.411 -6.366 19.054 503 2HB HIS 65 1HB HIS 65 18.582 -4.630 19.253 504 HD1 HIS 65 1HD HIS 65 16.147 -7.266 18.267 505 HD2 HIS 65 2HD HIS 65 16.331 -3.113 18.474 506 HE1 HIS 65 1HE HIS 65 13.776 -6.468 18.045 507 HE2 HIS 65 2HE HIS 65 13.891 -3.980 18.422 508 H HIS 66 H HIS 66 19.421 -5.460 14.794 509 HA HIS 66 HA HIS 66 17.517 -7.417 14.120 510 1HB HIS 66 2HB HIS 66 18.556 -7.467 11.901 511 2HB HIS 66 1HB HIS 66 18.342 -5.819 12.463 512 HD1 HIS 66 1HD HIS 66 20.329 -4.338 12.190 513 HD2 HIS 66 2HD HIS 66 21.366 -8.371 12.208 514 HE1 HIS 66 1HE HIS 66 22.782 -4.414 11.679 515 HE2 HIS 66 2HE HIS 66 23.342 -6.862 11.486 516 H HIS 67 H HIS 67 17.646 -9.596 13.715 517 HA HIS 67 HA HIS 67 19.850 -10.902 15.116 518 1HB HIS 67 2HB HIS 67 17.390 -11.333 15.667 519 2HB HIS 67 1HB HIS 67 17.309 -12.211 14.145 520 HD1 HIS 67 1HD HIS 67 17.853 -12.743 17.622 521 HD2 HIS 67 2HD HIS 67 19.418 -14.399 14.139 522 HE1 HIS 67 1HE HIS 67 18.862 -14.947 18.307 523 HE2 HIS 67 2HE HIS 67 19.909 -15.876 16.208 524 H HIS 68 H HIS 68 21.477 -11.651 13.970 525 HA HIS 68 HA HIS 68 21.072 -12.491 11.192 526 1HB HIS 68 2HB HIS 68 22.962 -11.053 11.418 527 2HB HIS 68 1HB HIS 68 23.542 -11.921 12.836 528 HD1 HIS 68 1HD HIS 68 23.123 -12.466 9.094 529 HD2 HIS 68 2HD HIS 68 25.362 -13.865 12.310 530 HE1 HIS 68 1HE HIS 68 24.816 -14.050 8.112 531 HE2 HIS 68 2HE HIS 68 25.951 -15.094 10.112 532 H HIS 69 H HIS 69 20.549 -14.557 10.880 533 HA HIS 69 HA HIS 69 21.304 -16.464 12.978 534 1HB HIS 69 2HB HIS 69 19.405 -17.873 12.156 535 2HB HIS 69 1HB HIS 69 18.923 -16.329 12.843 536 HD1 HIS 69 1HD HIS 69 18.084 -18.454 10.184 537 HD2 HIS 69 2HD HIS 69 18.604 -14.343 10.512 538 HE1 HIS 69 1HE HIS 69 16.839 -17.453 8.237 539 HE2 HIS 69 2HE HIS 69 17.196 -14.963 8.437 540 H HIS 70 H HIS 70 23.383 -16.572 11.965 541 HA HIS 70 HA HIS 70 23.792 -19.018 10.745 542 1HB HIS 70 2HB HIS 70 22.887 -17.914 8.685 543 2HB HIS 70 1HB HIS 70 24.198 -16.742 8.780 544 HD1 HIS 70 1HD HIS 70 26.645 -17.686 8.385 545 HD2 HIS 70 2HD HIS 70 23.550 -20.324 7.516 546 HE1 HIS 70 1HE HIS 70 27.680 -19.514 7.003 547 HE2 HIS 70 2HE HIS 70 25.838 -21.201 6.677 Start of MODEL 15 1 1H MET 1 1H MET 1 -0.396 -15.682 -9.140 2 2H MET 1 2H MET 1 0.545 -16.583 -8.058 3 3H MET 1 3H MET 1 -0.087 -15.079 -7.587 4 HA MET 1 HA MET 1 -1.670 -17.504 -8.221 5 1HB MET 1 2HB MET 1 -1.121 -16.099 -5.594 6 2HB MET 1 1HB MET 1 -2.295 -17.389 -5.812 7 1HG MET 1 2HG MET 1 -0.512 -18.920 -6.439 8 2HG MET 1 1HG MET 1 0.669 -17.627 -6.257 9 1HE MET 1 1HE MET 1 -0.505 -16.120 -3.676 10 2HE MET 1 2HE MET 1 1.211 -16.444 -3.921 11 3HE MET 1 3HE MET 1 0.436 -16.893 -2.402 12 H GLU 2 H GLU 2 -3.797 -16.807 -6.570 13 HA GLU 2 HA GLU 2 -5.166 -14.916 -8.211 14 1HB GLU 2 2HB GLU 2 -5.981 -16.293 -5.646 15 2HB GLU 2 1HB GLU 2 -7.056 -15.305 -6.626 16 1HG GLU 2 2HG GLU 2 -7.624 -17.319 -7.466 17 2HG GLU 2 1HG GLU 2 -6.239 -17.007 -8.508 18 H SER 3 H SER 3 -6.776 -13.621 -6.299 19 HA SER 3 HA SER 3 -6.941 -11.660 -5.210 20 1HB SER 3 2HB SER 3 -4.096 -12.210 -4.342 21 2HB SER 3 1HB SER 3 -5.107 -10.910 -3.711 22 HG SER 3 HG SER 3 -5.594 -13.717 -3.525 23 H ARG 4 H ARG 4 -3.880 -11.967 -6.978 24 HA ARG 4 HA ARG 4 -4.284 -9.216 -7.963 25 1HB ARG 4 2HB ARG 4 -1.719 -10.817 -8.027 26 2HB ARG 4 1HB ARG 4 -1.918 -9.130 -8.469 27 1HG ARG 4 2HG ARG 4 -2.377 -8.537 -6.179 28 2HG ARG 4 1HG ARG 4 -2.313 -10.238 -5.700 29 1HD ARG 4 2HD ARG 4 -0.052 -8.572 -6.800 30 2HD ARG 4 1HD ARG 4 -0.219 -9.168 -5.149 31 HE ARG 4 HE ARG 4 -0.212 -11.252 -7.142 32 1HH1 ARG 4 1HH1 ARG 4 1.831 -9.187 -5.169 33 2HH1 ARG 4 2HH1 ARG 4 3.163 -10.307 -5.170 34 1HH2 ARG 4 1HH2 ARG 4 1.546 -12.713 -7.140 35 2HH2 ARG 4 2HH2 ARG 4 2.997 -12.304 -6.277 36 H LEU 5 H LEU 5 -5.692 -9.733 -9.664 37 HA LEU 5 HA LEU 5 -4.372 -11.165 -11.874 38 1HB LEU 5 2HB LEU 5 -7.305 -11.103 -11.183 39 2HB LEU 5 1HB LEU 5 -6.707 -11.631 -12.741 40 HG LEU 5 HG LEU 5 -5.335 -13.359 -11.386 41 1HD1 LEU 5 1HD1 LEU 5 -6.345 -14.032 -9.273 42 2HD1 LEU 5 2HD1 LEU 5 -7.455 -12.665 -9.360 43 3HD1 LEU 5 3HD1 LEU 5 -5.723 -12.384 -9.184 44 1HD2 LEU 5 1HD2 LEU 5 -7.173 -13.943 -12.858 45 2HD2 LEU 5 2HD2 LEU 5 -8.335 -13.556 -11.591 46 3HD2 LEU 5 3HD2 LEU 5 -7.229 -14.914 -11.386 47 H LEU 6 H LEU 6 -7.425 -9.547 -12.270 48 HA LEU 6 HA LEU 6 -6.073 -7.194 -13.368 49 1HB LEU 6 2HB LEU 6 -6.683 -8.836 -15.190 50 2HB LEU 6 1HB LEU 6 -8.364 -8.578 -14.768 51 HG LEU 6 HG LEU 6 -6.595 -6.280 -15.585 52 1HD1 LEU 6 1HD1 LEU 6 -8.219 -8.058 -17.401 53 2HD1 LEU 6 2HD1 LEU 6 -6.458 -7.942 -17.361 54 3HD1 LEU 6 3HD1 LEU 6 -7.422 -6.552 -17.865 55 1HD2 LEU 6 1HD2 LEU 6 -8.723 -5.281 -16.261 56 2HD2 LEU 6 2HD2 LEU 6 -8.731 -5.709 -14.552 57 3HD2 LEU 6 3HD2 LEU 6 -9.579 -6.723 -15.721 58 H ASP 7 H ASP 7 -6.785 -5.503 -12.395 59 HA ASP 7 HA ASP 7 -9.524 -4.810 -12.162 60 1HB ASP 7 2HB ASP 7 -9.197 -6.399 -10.175 61 2HB ASP 7 1HB ASP 7 -8.098 -5.192 -9.517 62 H ILE 8 H ILE 8 -6.243 -4.428 -11.052 63 HA ILE 8 HA ILE 8 -4.746 -2.759 -11.247 64 HB ILE 8 HB ILE 8 -6.817 -1.310 -12.906 65 1HG1 ILE 8 2HG1 ILE 8 -4.551 -3.122 -13.776 66 2HG1 ILE 8 1HG1 ILE 8 -6.255 -3.558 -13.792 67 1HG2 ILE 8 1HG2 ILE 8 -3.825 -0.958 -12.722 68 2HG2 ILE 8 2HG2 ILE 8 -5.040 0.152 -12.088 69 3HG2 ILE 8 3HG2 ILE 8 -4.896 -0.098 -13.827 70 1HD1 ILE 8 1HD1 ILE 8 -6.694 -1.820 -15.439 71 2HD1 ILE 8 2HD1 ILE 8 -5.463 -2.951 -16.008 72 3HD1 ILE 8 3HD1 ILE 8 -4.991 -1.362 -15.408 73 H LEU 9 H LEU 9 -4.817 -2.331 -9.059 74 HA LEU 9 HA LEU 9 -6.271 0.111 -8.321 75 1HB LEU 9 2HB LEU 9 -5.018 -2.014 -6.576 76 2HB LEU 9 1HB LEU 9 -5.749 -0.539 -5.975 77 HG LEU 9 HG LEU 9 -7.196 -2.739 -7.458 78 1HD1 LEU 9 1HD1 LEU 9 -8.291 -3.148 -5.307 79 2HD1 LEU 9 2HD1 LEU 9 -7.267 -1.924 -4.556 80 3HD1 LEU 9 3HD1 LEU 9 -6.549 -3.398 -5.204 81 1HD2 LEU 9 1HD2 LEU 9 -8.239 -0.209 -6.187 82 2HD2 LEU 9 2HD2 LEU 9 -9.224 -1.499 -6.876 83 3HD2 LEU 9 3HD2 LEU 9 -8.164 -0.548 -7.916 84 H VAL 10 H VAL 10 -5.087 1.874 -8.502 85 HA VAL 10 HA VAL 10 -2.273 1.784 -7.676 86 HB VAL 10 HB VAL 10 -1.732 3.410 -9.502 87 1HG1 VAL 10 1HG1 VAL 10 -1.636 1.723 -11.302 88 2HG1 VAL 10 2HG1 VAL 10 -2.692 0.683 -10.348 89 3HG1 VAL 10 3HG1 VAL 10 -1.090 1.103 -9.745 90 1HG2 VAL 10 1HG2 VAL 10 -4.010 4.184 -9.960 91 2HG2 VAL 10 2HG2 VAL 10 -4.423 2.591 -10.595 92 3HG2 VAL 10 3HG2 VAL 10 -3.225 3.587 -11.421 93 H CYS 11 H CYS 11 -1.486 3.654 -6.721 94 HA CYS 11 HA CYS 11 -3.287 5.301 -5.347 95 1HB CYS 11 2HB CYS 11 -0.591 6.381 -5.886 96 2HB CYS 11 1HB CYS 11 -1.423 6.144 -4.354 97 HG CYS 11 HG CYS 11 1.066 4.666 -4.724 98 HA PRO 12 HA PRO 12 -4.637 7.997 -8.621 99 1HB PRO 12 2HB PRO 12 -4.926 9.953 -6.394 100 2HB PRO 12 1HB PRO 12 -6.109 9.441 -7.603 101 1HG PRO 12 2HG PRO 12 -6.265 8.569 -5.091 102 2HG PRO 12 1HG PRO 12 -6.638 7.496 -6.453 103 1HD PRO 12 2HD PRO 12 -4.203 7.596 -4.727 104 2HD PRO 12 1HD PRO 12 -5.022 6.196 -5.447 105 H VAL 13 H VAL 13 -2.308 9.062 -6.197 106 HA VAL 13 HA VAL 13 -1.593 11.426 -7.685 107 HB VAL 13 HB VAL 13 -0.224 10.268 -5.255 108 1HG1 VAL 13 1HG1 VAL 13 -0.202 13.062 -6.405 109 2HG1 VAL 13 2HG1 VAL 13 1.127 11.905 -6.482 110 3HG1 VAL 13 3HG1 VAL 13 0.605 12.547 -4.925 111 1HG2 VAL 13 1HG2 VAL 13 -1.579 11.864 -3.956 112 2HG2 VAL 13 2HG2 VAL 13 -2.582 10.669 -4.775 113 3HG2 VAL 13 3HG2 VAL 13 -2.453 12.303 -5.423 114 H CYS 14 H CYS 14 0.669 8.976 -6.356 115 HA CYS 14 HA CYS 14 2.491 9.687 -8.501 116 1HB CYS 14 2HB CYS 14 3.001 7.673 -6.318 117 2HB CYS 14 1HB CYS 14 4.180 8.603 -7.238 118 HG CYS 14 HG CYS 14 2.333 9.506 -4.566 119 H LYS 15 H LYS 15 0.094 7.398 -8.171 120 HA LYS 15 HA LYS 15 -0.375 5.344 -9.050 121 1HB LYS 15 2HB LYS 15 1.596 6.234 -11.171 122 2HB LYS 15 1HB LYS 15 0.388 4.972 -11.346 123 1HG LYS 15 2HG LYS 15 -0.229 7.880 -10.860 124 2HG LYS 15 1HG LYS 15 -0.237 7.096 -12.435 125 1HD LYS 15 2HD LYS 15 -1.926 5.471 -11.437 126 2HD LYS 15 1HD LYS 15 -2.060 6.608 -10.096 127 1HE LYS 15 2HE LYS 15 -2.648 7.161 -13.003 128 2HE LYS 15 1HE LYS 15 -3.821 7.028 -11.697 129 1HZ LYS 15 1HZ LYS 15 -2.725 8.985 -10.660 130 2HZ LYS 15 2HZ LYS 15 -3.460 9.319 -12.152 131 3HZ LYS 15 3HZ LYS 15 -1.775 9.151 -12.059 132 H GLY 16 H GLY 16 1.540 5.288 -7.031 133 1HA GLY 16 2HA GLY 16 3.983 4.080 -7.944 134 2HA GLY 16 1HA GLY 16 3.542 4.437 -6.291 135 H ARG 17 H ARG 17 1.379 2.573 -8.159 136 HA ARG 17 HA ARG 17 0.813 0.372 -8.271 137 1HB ARG 17 2HB ARG 17 3.584 -0.162 -7.188 138 2HB ARG 17 1HB ARG 17 2.515 -1.348 -7.920 139 1HG ARG 17 2HG ARG 17 2.660 -0.199 -10.054 140 2HG ARG 17 1HG ARG 17 3.674 1.050 -9.327 141 1HD ARG 17 2HD ARG 17 5.365 -0.655 -8.799 142 2HD ARG 17 1HD ARG 17 4.355 -1.881 -9.564 143 HE ARG 17 HE ARG 17 5.001 0.346 -11.282 144 1HH1 ARG 17 1HH1 ARG 17 6.104 -2.776 -10.092 145 2HH1 ARG 17 2HH1 ARG 17 7.090 -3.089 -11.496 146 1HH2 ARG 17 1HH2 ARG 17 6.300 -0.087 -13.116 147 2HH2 ARG 17 2HH2 ARG 17 7.196 -1.577 -13.194 148 H LEU 18 H LEU 18 -0.552 -0.673 -6.971 149 HA LEU 18 HA LEU 18 -0.068 -0.583 -4.073 150 1HB LEU 18 2HB LEU 18 -2.618 -1.016 -5.631 151 2HB LEU 18 1HB LEU 18 -2.496 -1.160 -3.888 152 HG LEU 18 HG LEU 18 -2.039 1.356 -5.495 153 1HD1 LEU 18 1HD1 LEU 18 -4.242 0.587 -3.581 154 2HD1 LEU 18 2HD1 LEU 18 -4.391 0.700 -5.335 155 3HD1 LEU 18 3HD1 LEU 18 -4.061 2.147 -4.384 156 1HD2 LEU 18 1HD2 LEU 18 -1.929 0.860 -2.523 157 2HD2 LEU 18 2HD2 LEU 18 -1.877 2.445 -3.295 158 3HD2 LEU 18 3HD2 LEU 18 -0.573 1.288 -3.567 159 H GLU 19 H GLU 19 0.195 -2.381 -2.938 160 HA GLU 19 HA GLU 19 -0.193 -4.964 -4.303 161 1HB GLU 19 2HB GLU 19 2.133 -3.917 -2.769 162 2HB GLU 19 1HB GLU 19 1.725 -5.612 -2.552 163 1HG GLU 19 2HG GLU 19 2.156 -4.360 -5.248 164 2HG GLU 19 1HG GLU 19 3.444 -5.114 -4.310 165 H PHE 20 H PHE 20 -1.597 -6.234 -3.332 166 HA PHE 20 HA PHE 20 -2.725 -5.476 -0.801 167 1HB PHE 20 2HB PHE 20 -4.168 -6.313 -2.593 168 2HB PHE 20 1HB PHE 20 -3.300 -7.843 -2.600 169 HD1 PHE 20 1HD PHE 20 -5.409 -5.658 -0.470 170 HD2 PHE 20 2HD PHE 20 -3.970 -9.594 -1.214 171 HE1 PHE 20 1HE PHE 20 -6.973 -6.545 1.210 172 HE2 PHE 20 2HE PHE 20 -5.528 -10.486 0.467 173 HZ PHE 20 HZ PHE 20 -7.033 -8.963 1.681 174 H GLN 21 H GLN 21 -1.762 -5.985 1.041 175 HA GLN 21 HA GLN 21 -0.395 -8.568 1.258 176 1HB GLN 21 2HB GLN 21 -0.179 -6.001 2.797 177 2HB GLN 21 1HB GLN 21 0.368 -7.511 3.503 178 1HG GLN 21 2HG GLN 21 1.338 -6.404 0.881 179 2HG GLN 21 1HG GLN 21 2.164 -6.194 2.423 180 1HE2 GLN 21 1HE2 GLN 21 4.004 -7.269 1.740 181 2HE2 GLN 21 2HE2 GLN 21 4.045 -8.984 1.507 182 H ARG 22 H ARG 22 -0.569 -9.377 3.693 183 HA ARG 22 HA ARG 22 -3.442 -9.424 4.328 184 1HB ARG 22 2HB ARG 22 -1.598 -11.799 4.027 185 2HB ARG 22 1HB ARG 22 -3.199 -11.886 4.751 186 1HG ARG 22 2HG ARG 22 -4.221 -11.193 2.679 187 2HG ARG 22 1HG ARG 22 -2.636 -10.973 1.936 188 1HD ARG 22 2HD ARG 22 -2.179 -13.351 2.173 189 2HD ARG 22 1HD ARG 22 -3.730 -13.586 2.977 190 HE ARG 22 HE ARG 22 -4.592 -12.608 0.703 191 1HH1 ARG 22 1HH1 ARG 22 -1.997 -14.898 1.220 192 2HH1 ARG 22 2HH1 ARG 22 -2.205 -15.686 -0.313 193 1HH2 ARG 22 1HH2 ARG 22 -4.869 -13.642 -1.328 194 2HH2 ARG 22 2HH2 ARG 22 -3.843 -14.978 -1.754 195 H ALA 23 H ALA 23 -0.974 -8.160 5.524 196 HA ALA 23 HA ALA 23 -0.676 -9.520 8.062 197 1HB ALA 23 1HB ALA 23 0.831 -7.692 8.637 198 2HB ALA 23 2HB ALA 23 0.345 -6.818 7.182 199 3HB ALA 23 3HB ALA 23 1.224 -8.343 7.044 200 H GLN 24 H GLN 24 -1.904 -6.383 6.947 201 HA GLN 24 HA GLN 24 -3.825 -6.425 9.191 202 1HB GLN 24 2HB GLN 24 -1.987 -4.683 9.372 203 2HB GLN 24 1HB GLN 24 -2.639 -3.952 7.913 204 1HG GLN 24 2HG GLN 24 -4.853 -3.847 9.214 205 2HG GLN 24 1HG GLN 24 -3.850 -4.123 10.639 206 1HE2 GLN 24 1HE2 GLN 24 -4.658 -1.931 8.087 207 2HE2 GLN 24 2HE2 GLN 24 -3.875 -0.542 8.753 208 H ALA 25 H ALA 25 -3.557 -7.034 6.109 209 HA ALA 25 HA ALA 25 -4.792 -6.940 4.217 210 1HB ALA 25 1HB ALA 25 -7.162 -6.387 4.316 211 2HB ALA 25 2HB ALA 25 -6.961 -5.753 5.951 212 3HB ALA 25 3HB ALA 25 -6.721 -7.472 5.635 213 H GLU 26 H GLU 26 -2.987 -5.296 4.036 214 HA GLU 26 HA GLU 26 -4.094 -2.604 3.613 215 1HB GLU 26 2HB GLU 26 -1.813 -1.760 4.027 216 2HB GLU 26 1HB GLU 26 -2.470 -2.618 5.413 217 1HG GLU 26 2HG GLU 26 -0.731 -4.059 3.456 218 2HG GLU 26 1HG GLU 26 -0.009 -3.008 4.670 219 H LEU 27 H LEU 27 -3.565 -1.479 1.764 220 HA LEU 27 HA LEU 27 -2.238 -2.993 -0.374 221 1HB LEU 27 2HB LEU 27 -3.689 -0.349 -0.531 222 2HB LEU 27 1HB LEU 27 -3.079 -1.272 -1.884 223 HG LEU 27 HG LEU 27 -5.284 -2.204 -0.043 224 1HD1 LEU 27 1HD1 LEU 27 -5.412 -1.031 -2.820 225 2HD1 LEU 27 2HD1 LEU 27 -6.006 -0.280 -1.337 226 3HD1 LEU 27 3HD1 LEU 27 -6.766 -1.750 -1.947 227 1HD2 LEU 27 1HD2 LEU 27 -3.984 -4.012 -1.080 228 2HD2 LEU 27 2HD2 LEU 27 -4.286 -3.306 -2.669 229 3HD2 LEU 27 3HD2 LEU 27 -5.630 -3.935 -1.714 230 H VAL 28 H VAL 28 -0.105 -2.795 -0.165 231 HA VAL 28 HA VAL 28 1.179 -0.540 0.993 232 HB VAL 28 HB VAL 28 2.399 -2.733 -0.696 233 1HG1 VAL 28 1HG1 VAL 28 3.866 -0.806 -0.459 234 2HG1 VAL 28 2HG1 VAL 28 4.480 -2.171 0.473 235 3HG1 VAL 28 3HG1 VAL 28 3.657 -0.840 1.290 236 1HG2 VAL 28 1HG2 VAL 28 2.927 -3.810 1.447 237 2HG2 VAL 28 2HG2 VAL 28 1.189 -3.658 1.191 238 3HG2 VAL 28 3HG2 VAL 28 2.018 -2.556 2.290 239 H CYS 29 H CYS 29 1.645 1.339 0.104 240 HA CYS 29 HA CYS 29 1.604 1.623 -2.817 241 1HB CYS 29 2HB CYS 29 1.890 3.866 -0.824 242 2HB CYS 29 1HB CYS 29 1.245 3.929 -2.463 243 HG CYS 29 HG CYS 29 -0.610 1.885 -0.702 244 H ASN 30 H ASN 30 3.511 1.387 -3.789 245 HA ASN 30 HA ASN 30 5.936 1.254 -2.322 246 1HB ASN 30 2HB ASN 30 5.414 1.251 -5.299 247 2HB ASN 30 1HB ASN 30 7.001 0.990 -4.586 248 1HD2 ASN 30 1HD2 ASN 30 3.802 -0.321 -5.034 249 2HD2 ASN 30 2HD2 ASN 30 4.195 -1.939 -4.568 250 H ALA 31 H ALA 31 5.199 3.383 -5.089 251 HA ALA 31 HA ALA 31 7.450 5.037 -4.560 252 1HB ALA 31 1HB ALA 31 6.564 4.735 -6.819 253 2HB ALA 31 2HB ALA 31 6.621 6.440 -6.372 254 3HB ALA 31 3HB ALA 31 5.085 5.574 -6.352 255 H ASP 32 H ASP 32 4.105 5.177 -3.635 256 HA ASP 32 HA ASP 32 4.188 7.933 -2.804 257 1HB ASP 32 2HB ASP 32 2.126 5.789 -2.225 258 2HB ASP 32 1HB ASP 32 1.925 7.514 -1.938 259 H ARG 33 H ARG 33 4.915 4.871 -1.431 260 HA ARG 33 HA ARG 33 5.533 4.124 0.602 261 1HB ARG 33 2HB ARG 33 6.284 7.017 1.004 262 2HB ARG 33 1HB ARG 33 6.729 5.711 2.099 263 1HG ARG 33 2HG ARG 33 7.733 4.599 0.002 264 2HG ARG 33 1HG ARG 33 7.641 6.214 -0.702 265 1HD ARG 33 2HD ARG 33 9.048 5.516 1.866 266 2HD ARG 33 1HD ARG 33 9.837 5.710 0.304 267 HE ARG 33 HE ARG 33 8.795 7.813 2.018 268 1HH1 ARG 33 1HH1 ARG 33 10.103 6.933 -1.107 269 2HH1 ARG 33 2HH1 ARG 33 10.549 8.559 -1.520 270 1HH2 ARG 33 1HH2 ARG 33 9.425 9.941 1.506 271 2HH2 ARG 33 2HH2 ARG 33 10.191 10.268 -0.022 272 H LEU 34 H LEU 34 3.039 4.074 0.515 273 HA LEU 34 HA LEU 34 2.043 5.059 3.083 274 1HB LEU 34 2HB LEU 34 0.549 5.264 0.456 275 2HB LEU 34 1HB LEU 34 -0.141 5.593 2.031 276 HG LEU 34 HG LEU 34 2.149 7.158 0.845 277 1HD1 LEU 34 1HD1 LEU 34 0.496 8.895 0.380 278 2HD1 LEU 34 2HD1 LEU 34 -0.793 7.819 0.918 279 3HD1 LEU 34 3HD1 LEU 34 0.144 7.420 -0.521 280 1HD2 LEU 34 1HD2 LEU 34 0.352 7.647 3.219 281 2HD2 LEU 34 2HD2 LEU 34 1.531 8.793 2.583 282 3HD2 LEU 34 3HD2 LEU 34 2.074 7.259 3.262 283 H ALA 35 H ALA 35 -0.286 3.975 3.343 284 HA ALA 35 HA ALA 35 -0.452 1.351 2.097 285 1HB ALA 35 1HB ALA 35 -0.246 1.649 5.094 286 2HB ALA 35 2HB ALA 35 0.978 0.946 4.038 287 3HB ALA 35 3HB ALA 35 -0.584 0.152 4.225 288 H PHE 36 H PHE 36 -2.453 1.551 1.285 289 HA PHE 36 HA PHE 36 -4.571 2.875 2.729 290 1HB PHE 36 2HB PHE 36 -4.606 1.284 0.154 291 2HB PHE 36 1HB PHE 36 -5.997 2.128 0.819 292 HD1 PHE 36 2HD PHE 36 -5.346 4.697 1.482 293 HD2 PHE 36 1HD PHE 36 -3.566 2.333 -1.576 294 HE1 PHE 36 2HE PHE 36 -4.682 6.745 0.292 295 HE2 PHE 36 1HE PHE 36 -2.898 4.377 -2.773 296 HZ PHE 36 HZ PHE 36 -3.458 6.586 -1.839 297 HA PRO 37 HA PRO 37 -5.627 -0.886 4.870 298 1HB PRO 37 2HB PRO 37 -7.557 0.144 6.442 299 2HB PRO 37 1HB PRO 37 -5.844 0.478 6.718 300 1HG PRO 37 2HG PRO 37 -7.931 2.191 5.448 301 2HG PRO 37 1HG PRO 37 -6.598 2.653 6.521 302 1HD PRO 37 2HD PRO 37 -6.582 2.923 3.770 303 2HD PRO 37 1HD PRO 37 -5.131 2.849 4.788 304 H VAL 38 H VAL 38 -6.808 -2.473 4.030 305 HA VAL 38 HA VAL 38 -9.284 -1.884 2.616 306 HB VAL 38 HB VAL 38 -7.967 -4.569 3.067 307 1HG1 VAL 38 1HG1 VAL 38 -10.340 -4.721 2.528 308 2HG1 VAL 38 2HG1 VAL 38 -9.354 -5.304 1.187 309 3HG1 VAL 38 3HG1 VAL 38 -10.093 -3.705 1.107 310 1HG2 VAL 38 1HG2 VAL 38 -7.768 -2.716 0.694 311 2HG2 VAL 38 2HG2 VAL 38 -7.120 -4.354 0.779 312 3HG2 VAL 38 3HG2 VAL 38 -6.474 -3.094 1.832 313 H ARG 39 H ARG 39 -10.884 -1.422 4.037 314 HA ARG 39 HA ARG 39 -11.047 -2.966 6.490 315 1HB ARG 39 2HB ARG 39 -11.296 -0.505 6.569 316 2HB ARG 39 1HB ARG 39 -12.755 -0.639 5.596 317 1HG ARG 39 2HG ARG 39 -13.855 -1.887 7.347 318 2HG ARG 39 1HG ARG 39 -12.375 -1.891 8.307 319 1HD ARG 39 2HD ARG 39 -12.477 0.511 8.545 320 2HD ARG 39 1HD ARG 39 -13.881 0.586 7.477 321 HE ARG 39 HE ARG 39 -14.795 -1.037 9.370 322 1HH1 ARG 39 1HH1 ARG 39 -13.049 1.991 9.678 323 2HH1 ARG 39 2HH1 ARG 39 -13.764 2.387 11.212 324 1HH2 ARG 39 1HH2 ARG 39 -15.728 -0.516 11.358 325 2HH2 ARG 39 2HH2 ARG 39 -15.300 0.962 12.172 326 H ASP 40 H ASP 40 -11.506 -4.901 5.318 327 HA ASP 40 HA ASP 40 -12.882 -6.586 4.707 328 1HB ASP 40 2HB ASP 40 -14.737 -4.953 6.442 329 2HB ASP 40 1HB ASP 40 -15.169 -6.539 5.809 330 H GLY 41 H GLY 41 -12.639 -5.564 2.493 331 1HA GLY 41 2HA GLY 41 -13.981 -5.911 0.533 332 2HA GLY 41 1HA GLY 41 -15.364 -5.287 1.420 333 H VAL 42 H VAL 42 -13.990 -2.981 2.500 334 HA VAL 42 HA VAL 42 -13.820 -1.425 0.005 335 HB VAL 42 HB VAL 42 -14.782 -0.482 2.710 336 1HG1 VAL 42 1HG1 VAL 42 -14.661 0.957 0.055 337 2HG1 VAL 42 2HG1 VAL 42 -13.697 1.317 1.488 338 3HG1 VAL 42 3HG1 VAL 42 -15.441 1.573 1.513 339 1HG2 VAL 42 1HG2 VAL 42 -16.373 -1.992 1.619 340 2HG2 VAL 42 2HG2 VAL 42 -16.335 -0.984 0.171 341 3HG2 VAL 42 3HG2 VAL 42 -16.982 -0.338 1.679 342 HA PRO 43 HA PRO 43 -9.691 -0.533 1.631 343 1HB PRO 43 2HB PRO 43 -9.105 0.353 -1.059 344 2HB PRO 43 1HB PRO 43 -8.445 -1.035 -0.191 345 1HG PRO 43 2HG PRO 43 -10.103 -1.256 -2.346 346 2HG PRO 43 1HG PRO 43 -9.986 -2.479 -1.069 347 1HD PRO 43 2HD PRO 43 -12.050 -0.344 -1.472 348 2HD PRO 43 1HD PRO 43 -12.258 -2.032 -0.951 349 H ILE 44 H ILE 44 -9.466 1.314 2.687 350 HA ILE 44 HA ILE 44 -10.889 3.678 1.933 351 HB ILE 44 HB ILE 44 -8.724 3.393 4.026 352 1HG1 ILE 44 2HG1 ILE 44 -10.538 1.822 4.466 353 2HG1 ILE 44 1HG1 ILE 44 -10.591 3.141 5.627 354 1HG2 ILE 44 1HG2 ILE 44 -9.768 5.378 5.025 355 2HG2 ILE 44 2HG2 ILE 44 -10.882 5.465 3.660 356 3HG2 ILE 44 3HG2 ILE 44 -9.155 5.701 3.402 357 1HD1 ILE 44 1HD1 ILE 44 -12.346 2.898 3.194 358 2HD1 ILE 44 2HD1 ILE 44 -12.419 4.170 4.414 359 3HD1 ILE 44 3HD1 ILE 44 -12.816 2.507 4.849 360 H MET 45 H MET 45 -10.242 4.609 0.098 361 HA MET 45 HA MET 45 -7.420 4.831 -0.539 362 1HB MET 45 2HB MET 45 -9.882 5.642 -2.099 363 2HB MET 45 1HB MET 45 -8.231 5.752 -2.696 364 1HG MET 45 2HG MET 45 -7.982 3.351 -2.561 365 2HG MET 45 1HG MET 45 -9.590 3.199 -1.859 366 1HE MET 45 1HE MET 45 -8.802 4.590 -6.194 367 2HE MET 45 2HE MET 45 -7.524 4.138 -5.063 368 3HE MET 45 3HE MET 45 -8.474 5.596 -4.783 369 H LEU 46 H LEU 46 -9.036 6.453 1.554 370 HA LEU 46 HA LEU 46 -8.432 9.168 0.656 371 1HB LEU 46 2HB LEU 46 -9.686 8.173 3.220 372 2HB LEU 46 1HB LEU 46 -9.474 9.858 2.788 373 HG LEU 46 HG LEU 46 -11.234 7.876 1.346 374 1HD1 LEU 46 1HD1 LEU 46 -12.067 8.561 3.553 375 2HD1 LEU 46 2HD1 LEU 46 -13.071 9.176 2.239 376 3HD1 LEU 46 3HD1 LEU 46 -11.940 10.252 3.062 377 1HD2 LEU 46 1HD2 LEU 46 -12.003 9.792 0.057 378 2HD2 LEU 46 2HD2 LEU 46 -10.272 9.536 -0.174 379 3HD2 LEU 46 3HD2 LEU 46 -10.840 10.832 0.882 380 H GLU 47 H GLU 47 -6.535 10.080 1.111 381 HA GLU 47 HA GLU 47 -4.498 8.720 2.487 382 1HB GLU 47 2HB GLU 47 -4.562 11.699 2.015 383 2HB GLU 47 1HB GLU 47 -3.149 10.671 2.184 384 1HG GLU 47 2HG GLU 47 -3.137 10.877 -0.061 385 2HG GLU 47 1HG GLU 47 -4.243 9.507 0.053 386 H ALA 48 H ALA 48 -6.952 10.896 3.612 387 HA ALA 48 HA ALA 48 -5.634 11.665 6.027 388 1HB ALA 48 1HB ALA 48 -8.547 11.798 5.285 389 2HB ALA 48 2HB ALA 48 -7.339 13.053 5.005 390 3HB ALA 48 3HB ALA 48 -7.790 12.616 6.653 391 H GLU 49 H GLU 49 -7.051 8.768 5.072 392 HA GLU 49 HA GLU 49 -7.280 7.970 7.895 393 1HB GLU 49 2HB GLU 49 -8.963 6.936 5.607 394 2HB GLU 49 1HB GLU 49 -9.005 6.333 7.257 395 1HG GLU 49 2HG GLU 49 -9.636 8.694 7.942 396 2HG GLU 49 1HG GLU 49 -9.903 8.998 6.225 397 H ALA 50 H ALA 50 -5.285 7.813 5.487 398 HA ALA 50 HA ALA 50 -4.760 4.926 5.634 399 1HB ALA 50 1HB ALA 50 -3.727 6.944 3.644 400 2HB ALA 50 2HB ALA 50 -5.055 5.817 3.374 401 3HB ALA 50 3HB ALA 50 -3.421 5.208 3.624 402 H ARG 51 H ARG 51 -2.741 4.189 6.275 403 HA ARG 51 HA ARG 51 -1.223 6.116 7.839 404 1HB ARG 51 2HB ARG 51 -0.178 4.235 8.919 405 2HB ARG 51 1HB ARG 51 -1.911 3.953 8.871 406 1HG ARG 51 2HG ARG 51 -1.538 2.486 6.887 407 2HG ARG 51 1HG ARG 51 0.198 2.680 7.147 408 1HD ARG 51 2HD ARG 51 -1.821 1.414 8.989 409 2HD ARG 51 1HD ARG 51 -0.441 0.648 8.204 410 HE ARG 51 HE ARG 51 0.556 2.709 9.792 411 1HH1 ARG 51 1HH1 ARG 51 -1.133 -0.347 10.262 412 2HH1 ARG 51 2HH1 ARG 51 -0.480 -0.587 11.848 413 1HH2 ARG 51 1HH2 ARG 51 1.394 2.391 11.839 414 2HH2 ARG 51 2HH2 ARG 51 0.965 0.963 12.758 415 H SER 52 H SER 52 1.086 6.280 7.662 416 HA SER 52 HA SER 52 1.913 5.954 4.876 417 1HB SER 52 2HB SER 52 1.862 8.239 5.625 418 2HB SER 52 1HB SER 52 2.885 7.858 6.996 419 HG SER 52 HG SER 52 3.531 8.068 4.270 420 H LEU 53 H LEU 53 4.177 5.601 4.462 421 HA LEU 53 HA LEU 53 5.455 3.877 6.485 422 1HB LEU 53 2HB LEU 53 5.839 3.873 3.482 423 2HB LEU 53 1HB LEU 53 6.651 2.809 4.612 424 HG LEU 53 HG LEU 53 3.680 2.841 4.083 425 1HD1 LEU 53 1HD1 LEU 53 4.080 0.695 2.984 426 2HD1 LEU 53 2HD1 LEU 53 5.816 0.897 3.227 427 3HD1 LEU 53 3HD1 LEU 53 4.937 2.009 2.177 428 1HD2 LEU 53 1HD2 LEU 53 4.220 2.153 6.360 429 2HD2 LEU 53 2HD2 LEU 53 5.378 0.976 5.738 430 3HD2 LEU 53 3HD2 LEU 53 3.655 0.784 5.403 431 H ASP 54 H ASP 54 5.463 6.870 5.315 432 HA ASP 54 HA ASP 54 8.391 7.195 5.485 433 1HB ASP 54 2HB ASP 54 7.488 7.721 3.247 434 2HB ASP 54 1HB ASP 54 6.380 8.883 3.969 435 H ALA 55 H ALA 55 5.236 8.384 6.412 436 HA ALA 55 HA ALA 55 6.498 10.330 8.236 437 1HB ALA 55 1HB ALA 55 4.362 11.535 8.177 438 2HB ALA 55 2HB ALA 55 3.720 10.323 7.066 439 3HB ALA 55 3HB ALA 55 5.061 11.354 6.567 440 H GLU 56 H GLU 56 5.940 7.414 8.639 441 HA GLU 56 HA GLU 56 4.673 7.691 11.245 442 1HB GLU 56 2HB GLU 56 3.068 6.831 9.296 443 2HB GLU 56 1HB GLU 56 3.876 5.308 9.639 444 1HG GLU 56 2HG GLU 56 3.237 5.648 12.056 445 2HG GLU 56 1HG GLU 56 2.227 6.980 11.507 446 H ALA 57 H ALA 57 4.649 4.795 11.615 447 HA ALA 57 HA ALA 57 5.978 3.139 12.391 448 1HB ALA 57 1HB ALA 57 8.057 4.269 10.511 449 2HB ALA 57 2HB ALA 57 6.876 3.020 10.120 450 3HB ALA 57 3HB ALA 57 8.131 2.698 11.313 451 HA PRO 58 HA PRO 58 8.281 4.646 15.883 452 1HB PRO 58 2HB PRO 58 10.590 3.083 15.753 453 2HB PRO 58 1HB PRO 58 9.090 2.642 16.572 454 1HG PRO 58 2HG PRO 58 10.071 1.867 13.859 455 2HG PRO 58 1HG PRO 58 9.183 0.899 15.051 456 1HD PRO 58 2HD PRO 58 7.952 1.907 12.910 457 2HD PRO 58 1HD PRO 58 7.138 1.864 14.488 458 H ALA 59 H ALA 59 9.802 6.159 16.375 459 HA ALA 59 HA ALA 59 10.815 7.837 14.465 460 1HB ALA 59 1HB ALA 59 10.617 8.400 16.848 461 2HB ALA 59 2HB ALA 59 12.203 8.811 16.196 462 3HB ALA 59 3HB ALA 59 12.008 7.373 17.198 463 H GLN 60 H GLN 60 12.168 7.506 12.914 464 HA GLN 60 HA GLN 60 13.924 6.843 11.662 465 1HB GLN 60 2HB GLN 60 15.204 6.517 14.372 466 2HB GLN 60 1HB GLN 60 16.071 6.226 12.870 467 1HG GLN 60 2HG GLN 60 14.739 8.825 13.592 468 2HG GLN 60 1HG GLN 60 16.449 8.474 13.835 469 1HE2 GLN 60 1HE2 GLN 60 13.946 9.078 11.496 470 2HE2 GLN 60 2HE2 GLN 60 14.989 9.381 10.153 471 HA PRO 61 HA PRO 61 12.450 2.524 11.650 472 1HB PRO 61 2HB PRO 61 13.463 2.920 8.878 473 2HB PRO 61 1HB PRO 61 11.944 2.203 9.427 474 1HG PRO 61 2HG PRO 61 11.984 4.652 8.382 475 2HG PRO 61 1HG PRO 61 10.934 4.268 9.758 476 1HD PRO 61 2HD PRO 61 13.513 5.772 9.701 477 2HD PRO 61 1HD PRO 61 12.066 6.042 10.695 478 H SER 62 H SER 62 13.686 0.832 12.152 479 HA SER 62 HA SER 62 16.534 1.126 12.236 480 1HB SER 62 2HB SER 62 14.850 -1.289 12.919 481 2HB SER 62 1HB SER 62 16.497 -0.961 13.458 482 HG SER 62 HG SER 62 15.132 1.151 14.146 483 H LEU 63 H LEU 63 15.794 1.225 9.621 484 HA LEU 63 HA LEU 63 16.311 0.469 7.561 485 1HB LEU 63 2HB LEU 63 18.159 -1.353 9.088 486 2HB LEU 63 1HB LEU 63 18.195 -1.124 7.350 487 HG LEU 63 HG LEU 63 18.727 1.020 9.412 488 1HD1 LEU 63 1HD1 LEU 63 21.033 0.903 8.555 489 2HD1 LEU 63 2HD1 LEU 63 20.579 -0.492 7.579 490 3HD1 LEU 63 3HD1 LEU 63 20.522 -0.592 9.337 491 1HD2 LEU 63 1HD2 LEU 63 17.710 1.929 7.393 492 2HD2 LEU 63 2HD2 LEU 63 18.906 1.096 6.402 493 3HD2 LEU 63 3HD2 LEU 63 19.410 2.382 7.496 494 H GLU 64 H GLU 64 14.255 -0.338 7.134 495 HA GLU 64 HA GLU 64 13.698 -3.145 7.518 496 1HB GLU 64 2HB GLU 64 12.261 -0.978 5.972 497 2HB GLU 64 1HB GLU 64 11.707 -2.645 6.046 498 1HG GLU 64 2HG GLU 64 12.046 -0.807 8.404 499 2HG GLU 64 1HG GLU 64 10.519 -1.207 7.618 500 H HIS 65 H HIS 65 13.386 -4.642 5.736 501 HA HIS 65 HA HIS 65 15.590 -4.495 3.915 502 1HB HIS 65 2HB HIS 65 14.534 -6.592 5.019 503 2HB HIS 65 1HB HIS 65 13.356 -6.502 3.716 504 HD1 HIS 65 1HD HIS 65 16.689 -7.761 4.518 505 HD2 HIS 65 2HD HIS 65 14.573 -6.777 1.069 506 HE1 HIS 65 1HE HIS 65 17.916 -8.873 2.624 507 HE2 HIS 65 2HE HIS 65 16.692 -8.173 0.539 508 H HIS 66 H HIS 66 15.247 -2.730 2.593 509 HA HIS 66 HA HIS 66 12.749 -2.652 1.065 510 1HB HIS 66 2HB HIS 66 13.588 -0.313 0.422 511 2HB HIS 66 1HB HIS 66 13.055 -0.561 2.078 512 HD1 HIS 66 1HD HIS 66 14.649 0.157 3.865 513 HD2 HIS 66 2HD HIS 66 16.530 -0.303 0.183 514 HE1 HIS 66 1HE HIS 66 16.985 1.020 4.184 515 HE2 HIS 66 2HE HIS 66 18.101 0.776 1.938 516 H HIS 67 H HIS 67 13.128 -4.189 -0.486 517 HA HIS 67 HA HIS 67 15.482 -4.018 -2.163 518 1HB HIS 67 2HB HIS 67 14.423 -6.205 -1.544 519 2HB HIS 67 1HB HIS 67 13.040 -5.764 -2.540 520 HD1 HIS 67 1HD HIS 67 13.136 -6.900 -4.738 521 HD2 HIS 67 2HD HIS 67 16.929 -5.945 -3.335 522 HE1 HIS 67 1HE HIS 67 14.732 -7.716 -6.498 523 HE2 HIS 67 2HE HIS 67 16.999 -6.928 -5.728 524 H HIS 68 H HIS 68 14.456 -1.657 -2.373 525 HA HIS 68 HA HIS 68 13.510 -1.572 -5.136 526 1HB HIS 68 2HB HIS 68 12.206 -0.167 -2.808 527 2HB HIS 68 1HB HIS 68 12.113 0.502 -4.430 528 HD1 HIS 68 1HD HIS 68 10.308 -0.397 -5.921 529 HD2 HIS 68 2HD HIS 68 10.932 -2.780 -2.570 530 HE1 HIS 68 1HE HIS 68 8.456 -2.097 -5.946 531 HE2 HIS 68 2HE HIS 68 8.842 -3.529 -3.906 532 H HIS 69 H HIS 69 15.540 -0.984 -5.804 533 HA HIS 69 HA HIS 69 16.492 1.642 -4.867 534 1HB HIS 69 2HB HIS 69 17.869 -0.149 -3.871 535 2HB HIS 69 1HB HIS 69 18.212 -0.775 -5.479 536 HD1 HIS 69 1HD HIS 69 19.891 0.587 -6.953 537 HD2 HIS 69 2HD HIS 69 19.360 2.071 -3.102 538 HE1 HIS 69 1HE HIS 69 21.758 2.229 -6.592 539 HE2 HIS 69 2HE HIS 69 21.574 2.891 -4.168 540 H HIS 70 H HIS 70 16.393 3.010 -6.515 541 HA HIS 70 HA HIS 70 16.986 2.009 -9.212 542 1HB HIS 70 2HB HIS 70 14.792 3.118 -8.967 543 2HB HIS 70 1HB HIS 70 15.595 4.575 -8.393 544 HD1 HIS 70 1HD HIS 70 16.362 6.213 -10.130 545 HD2 HIS 70 2HD HIS 70 15.372 2.511 -11.753 546 HE1 HIS 70 1HE HIS 70 16.428 6.524 -12.626 547 HE2 HIS 70 2HE HIS 70 15.980 4.237 -13.586 Start of MODEL 16 1 1H MET 1 1H MET 1 -25.319 -11.998 -11.193 2 2H MET 1 2H MET 1 -24.186 -12.515 -12.344 3 3H MET 1 3H MET 1 -24.607 -10.875 -12.245 4 HA MET 1 HA MET 1 -23.648 -10.694 -10.079 5 1HB MET 1 2HB MET 1 -24.049 -12.951 -9.283 6 2HB MET 1 1HB MET 1 -22.951 -13.608 -10.489 7 1HG MET 1 2HG MET 1 -22.003 -13.498 -8.203 8 2HG MET 1 1HG MET 1 -21.065 -12.634 -9.417 9 1HE MET 1 1HE MET 1 -23.592 -12.265 -6.414 10 2HE MET 1 2HE MET 1 -24.420 -11.442 -7.736 11 3HE MET 1 3HE MET 1 -23.815 -10.514 -6.363 12 H GLU 2 H GLU 2 -21.846 -9.555 -10.226 13 HA GLU 2 HA GLU 2 -20.044 -10.080 -12.491 14 1HB GLU 2 2HB GLU 2 -21.336 -7.809 -11.978 15 2HB GLU 2 1HB GLU 2 -19.966 -7.538 -10.912 16 1HG GLU 2 2HG GLU 2 -19.735 -8.158 -13.845 17 2HG GLU 2 1HG GLU 2 -19.743 -6.531 -13.171 18 H SER 3 H SER 3 -18.276 -11.185 -11.922 19 HA SER 3 HA SER 3 -17.496 -11.172 -9.103 20 1HB SER 3 2HB SER 3 -16.813 -13.161 -11.280 21 2HB SER 3 1HB SER 3 -16.434 -13.329 -9.566 22 HG SER 3 HG SER 3 -18.798 -13.130 -9.259 23 H ARG 4 H ARG 4 -16.479 -9.664 -11.877 24 HA ARG 4 HA ARG 4 -13.632 -9.975 -11.392 25 1HB ARG 4 2HB ARG 4 -15.277 -8.476 -13.386 26 2HB ARG 4 1HB ARG 4 -13.624 -7.962 -13.100 27 1HG ARG 4 2HG ARG 4 -13.665 -9.413 -14.990 28 2HG ARG 4 1HG ARG 4 -12.859 -10.247 -13.662 29 1HD ARG 4 2HD ARG 4 -14.800 -11.581 -13.237 30 2HD ARG 4 1HD ARG 4 -15.763 -10.630 -14.369 31 HE ARG 4 HE ARG 4 -13.883 -11.525 -16.000 32 1HH1 ARG 4 1HH1 ARG 4 -15.639 -13.260 -13.520 33 2HH1 ARG 4 2HH1 ARG 4 -15.562 -14.791 -14.344 34 1HH2 ARG 4 1HH2 ARG 4 -13.775 -13.522 -17.098 35 2HH2 ARG 4 2HH2 ARG 4 -14.486 -14.936 -16.377 36 H LEU 5 H LEU 5 -16.070 -7.425 -11.112 37 HA LEU 5 HA LEU 5 -16.284 -5.652 -9.708 38 1HB LEU 5 2HB LEU 5 -15.188 -7.378 -8.059 39 2HB LEU 5 1HB LEU 5 -13.768 -6.372 -8.248 40 HG LEU 5 HG LEU 5 -16.434 -5.345 -7.273 41 1HD1 LEU 5 1HD1 LEU 5 -15.538 -6.999 -5.720 42 2HD1 LEU 5 2HD1 LEU 5 -15.438 -5.375 -5.042 43 3HD1 LEU 5 3HD1 LEU 5 -13.994 -6.148 -5.693 44 1HD2 LEU 5 1HD2 LEU 5 -13.670 -4.132 -7.238 45 2HD2 LEU 5 2HD2 LEU 5 -15.102 -3.437 -6.479 46 3HD2 LEU 5 3HD2 LEU 5 -15.028 -3.608 -8.233 47 H LEU 6 H LEU 6 -12.763 -6.097 -9.938 48 HA LEU 6 HA LEU 6 -12.547 -3.828 -11.747 49 1HB LEU 6 2HB LEU 6 -11.189 -3.961 -9.055 50 2HB LEU 6 1HB LEU 6 -10.603 -2.947 -10.358 51 HG LEU 6 HG LEU 6 -13.334 -2.709 -9.087 52 1HD1 LEU 6 1HD1 LEU 6 -12.471 -0.683 -8.046 53 2HD1 LEU 6 2HD1 LEU 6 -10.877 -0.994 -8.735 54 3HD1 LEU 6 3HD1 LEU 6 -11.549 -2.096 -7.532 55 1HD2 LEU 6 1HD2 LEU 6 -13.305 -1.964 -11.401 56 2HD2 LEU 6 2HD2 LEU 6 -11.899 -0.951 -11.074 57 3HD2 LEU 6 3HD2 LEU 6 -13.445 -0.588 -10.308 58 H ASP 7 H ASP 7 -11.063 -4.236 -13.275 59 HA ASP 7 HA ASP 7 -9.688 -6.719 -13.359 60 1HB ASP 7 2HB ASP 7 -10.368 -5.449 -15.387 61 2HB ASP 7 1HB ASP 7 -9.163 -4.224 -15.003 62 H ILE 8 H ILE 8 -8.578 -3.400 -12.848 63 HA ILE 8 HA ILE 8 -6.209 -4.482 -11.482 64 HB ILE 8 HB ILE 8 -5.092 -2.296 -12.046 65 1HG1 ILE 8 2HG1 ILE 8 -7.404 -2.058 -13.987 66 2HG1 ILE 8 1HG1 ILE 8 -7.116 -1.011 -12.603 67 1HG2 ILE 8 1HG2 ILE 8 -5.863 -4.106 -14.325 68 2HG2 ILE 8 2HG2 ILE 8 -4.520 -4.336 -13.208 69 3HG2 ILE 8 3HG2 ILE 8 -4.509 -2.979 -14.334 70 1HD1 ILE 8 1HD1 ILE 8 -5.022 -0.255 -13.625 71 2HD1 ILE 8 2HD1 ILE 8 -6.421 0.067 -14.653 72 3HD1 ILE 8 3HD1 ILE 8 -5.349 -1.282 -15.021 73 H LEU 9 H LEU 9 -5.909 -3.871 -9.430 74 HA LEU 9 HA LEU 9 -7.882 -2.132 -8.202 75 1HB LEU 9 2HB LEU 9 -6.991 -4.350 -7.245 76 2HB LEU 9 1HB LEU 9 -5.552 -3.445 -6.823 77 HG LEU 9 HG LEU 9 -8.249 -2.532 -5.869 78 1HD1 LEU 9 1HD1 LEU 9 -6.481 -4.585 -4.547 79 2HD1 LEU 9 2HD1 LEU 9 -8.083 -4.870 -5.226 80 3HD1 LEU 9 3HD1 LEU 9 -7.896 -3.822 -3.821 81 1HD2 LEU 9 1HD2 LEU 9 -5.451 -2.255 -4.770 82 2HD2 LEU 9 2HD2 LEU 9 -6.916 -1.611 -4.029 83 3HD2 LEU 9 3HD2 LEU 9 -6.378 -1.000 -5.593 84 H VAL 10 H VAL 10 -7.538 -0.087 -7.570 85 HA VAL 10 HA VAL 10 -4.824 1.011 -7.746 86 HB VAL 10 HB VAL 10 -5.794 3.067 -8.814 87 1HG1 VAL 10 1HG1 VAL 10 -5.862 2.141 -11.062 88 2HG1 VAL 10 2HG1 VAL 10 -6.099 0.521 -10.407 89 3HG1 VAL 10 3HG1 VAL 10 -4.583 1.375 -10.120 90 1HG2 VAL 10 1HG2 VAL 10 -7.956 2.851 -9.961 91 2HG2 VAL 10 2HG2 VAL 10 -8.124 2.734 -8.209 92 3HG2 VAL 10 3HG2 VAL 10 -8.191 1.275 -9.198 93 H CYS 11 H CYS 11 -5.394 3.645 -7.150 94 HA CYS 11 HA CYS 11 -5.738 3.405 -4.310 95 1HB CYS 11 2HB CYS 11 -4.060 4.926 -5.275 96 2HB CYS 11 1HB CYS 11 -5.349 5.857 -6.054 97 HG CYS 11 HG CYS 11 -4.294 7.265 -3.829 98 HA PRO 12 HA PRO 12 -10.112 4.247 -4.070 99 1HB PRO 12 2HB PRO 12 -9.334 5.598 -1.535 100 2HB PRO 12 1HB PRO 12 -10.541 4.338 -1.814 101 1HG PRO 12 2HG PRO 12 -8.216 3.758 -0.653 102 2HG PRO 12 1HG PRO 12 -8.963 2.639 -1.809 103 1HD PRO 12 2HD PRO 12 -6.669 4.517 -2.191 104 2HD PRO 12 1HD PRO 12 -6.904 2.878 -2.836 105 H VAL 13 H VAL 13 -7.713 6.758 -3.335 106 HA VAL 13 HA VAL 13 -9.648 8.832 -4.046 107 HB VAL 13 HB VAL 13 -6.830 9.187 -3.015 108 1HG1 VAL 13 1HG1 VAL 13 -9.116 11.129 -3.307 109 2HG1 VAL 13 2HG1 VAL 13 -7.606 11.128 -4.217 110 3HG1 VAL 13 3HG1 VAL 13 -7.593 11.478 -2.489 111 1HG2 VAL 13 1HG2 VAL 13 -9.445 9.267 -1.518 112 2HG2 VAL 13 2HG2 VAL 13 -7.867 9.691 -0.853 113 3HG2 VAL 13 3HG2 VAL 13 -8.192 8.036 -1.368 114 H CYS 14 H CYS 14 -6.147 8.678 -4.667 115 HA CYS 14 HA CYS 14 -6.622 9.694 -7.341 116 1HB CYS 14 2HB CYS 14 -4.003 9.027 -5.985 117 2HB CYS 14 1HB CYS 14 -4.200 9.921 -7.489 118 HG CYS 14 HG CYS 14 -4.459 10.956 -4.325 119 H LYS 15 H LYS 15 -7.660 7.911 -8.179 120 HA LYS 15 HA LYS 15 -6.889 5.305 -8.448 121 1HB LYS 15 2HB LYS 15 -8.365 7.004 -10.467 122 2HB LYS 15 1HB LYS 15 -8.388 5.249 -10.388 123 1HG LYS 15 2HG LYS 15 -9.297 6.869 -8.045 124 2HG LYS 15 1HG LYS 15 -10.368 6.612 -9.424 125 1HD LYS 15 2HD LYS 15 -10.262 4.235 -9.142 126 2HD LYS 15 1HD LYS 15 -9.010 4.388 -7.907 127 1HE LYS 15 2HE LYS 15 -11.145 3.942 -6.862 128 2HE LYS 15 1HE LYS 15 -10.607 5.569 -6.459 129 1HZ LYS 15 1HZ LYS 15 -12.609 4.884 -8.548 130 2HZ LYS 15 2HZ LYS 15 -12.112 6.447 -8.128 131 3HZ LYS 15 3HZ LYS 15 -12.964 5.497 -7.005 132 H GLY 16 H GLY 16 -4.487 6.381 -8.707 133 1HA GLY 16 2HA GLY 16 -3.772 6.481 -11.552 134 2HA GLY 16 1HA GLY 16 -2.720 6.886 -10.203 135 H ARG 17 H ARG 17 -1.017 5.549 -10.335 136 HA ARG 17 HA ARG 17 -1.569 2.690 -10.807 137 1HB ARG 17 2HB ARG 17 0.938 4.215 -11.546 138 2HB ARG 17 1HB ARG 17 0.642 2.510 -11.847 139 1HG ARG 17 2HG ARG 17 0.201 3.437 -13.902 140 2HG ARG 17 1HG ARG 17 -1.412 3.378 -13.190 141 1HD ARG 17 2HD ARG 17 -0.938 5.766 -12.395 142 2HD ARG 17 1HD ARG 17 0.410 5.742 -13.532 143 HE ARG 17 HE ARG 17 -2.050 4.945 -14.754 144 1HH1 ARG 17 1HH1 ARG 17 -0.175 7.734 -13.758 145 2HH1 ARG 17 2HH1 ARG 17 -0.944 8.809 -14.873 146 1HH2 ARG 17 1HH2 ARG 17 -3.078 6.364 -16.205 147 2HH2 ARG 17 2HH2 ARG 17 -2.628 8.043 -16.250 148 H LEU 18 H LEU 18 -0.911 1.293 -9.323 149 HA LEU 18 HA LEU 18 0.624 2.298 -7.037 150 1HB LEU 18 2HB LEU 18 -0.976 -0.251 -7.338 151 2HB LEU 18 1HB LEU 18 -0.163 0.274 -5.877 152 HG LEU 18 HG LEU 18 -2.478 1.696 -7.197 153 1HD1 LEU 18 1HD1 LEU 18 -3.730 0.967 -5.216 154 2HD1 LEU 18 2HD1 LEU 18 -2.329 0.037 -4.684 155 3HD1 LEU 18 3HD1 LEU 18 -3.159 -0.398 -6.178 156 1HD2 LEU 18 1HD2 LEU 18 -1.047 2.250 -4.600 157 2HD2 LEU 18 2HD2 LEU 18 -2.490 3.080 -5.183 158 3HD2 LEU 18 3HD2 LEU 18 -0.967 3.240 -6.058 159 H GLU 19 H GLU 19 2.522 1.298 -6.359 160 HA GLU 19 HA GLU 19 3.637 -0.691 -8.214 161 1HB GLU 19 2HB GLU 19 5.132 1.535 -6.818 162 2HB GLU 19 1HB GLU 19 5.809 0.365 -7.935 163 1HG GLU 19 2HG GLU 19 4.213 1.264 -9.663 164 2HG GLU 19 1HG GLU 19 3.861 2.563 -8.526 165 H PHE 20 H PHE 20 4.555 -2.454 -7.330 166 HA PHE 20 HA PHE 20 4.240 -2.734 -4.439 167 1HB PHE 20 2HB PHE 20 3.064 -4.356 -5.859 168 2HB PHE 20 1HB PHE 20 4.591 -4.833 -6.592 169 HD1 PHE 20 1HD PHE 20 2.667 -4.830 -3.436 170 HD2 PHE 20 2HD PHE 20 5.977 -6.435 -5.573 171 HE1 PHE 20 1HE PHE 20 2.950 -6.547 -1.700 172 HE2 PHE 20 2HE PHE 20 6.264 -8.160 -3.842 173 HZ PHE 20 HZ PHE 20 4.751 -8.217 -1.903 174 H GLN 21 H GLN 21 5.993 -2.441 -3.240 175 HA GLN 21 HA GLN 21 8.634 -2.956 -4.317 176 1HB GLN 21 2HB GLN 21 7.651 -1.940 -1.652 177 2HB GLN 21 1HB GLN 21 9.346 -2.267 -1.974 178 1HG GLN 21 2HG GLN 21 7.677 -0.361 -3.593 179 2HG GLN 21 1HG GLN 21 8.658 0.121 -2.211 180 1HE2 GLN 21 1HE2 GLN 21 9.949 1.458 -3.470 181 2HE2 GLN 21 2HE2 GLN 21 11.117 0.836 -4.581 182 H ARG 22 H ARG 22 9.641 -4.849 -4.162 183 HA ARG 22 HA ARG 22 8.347 -7.080 -3.024 184 1HB ARG 22 2HB ARG 22 11.171 -6.810 -4.069 185 2HB ARG 22 1HB ARG 22 10.366 -8.327 -3.694 186 1HG ARG 22 2HG ARG 22 8.649 -7.761 -5.408 187 2HG ARG 22 1HG ARG 22 9.632 -6.363 -5.851 188 1HD ARG 22 2HD ARG 22 11.519 -7.888 -6.323 189 2HD ARG 22 1HD ARG 22 10.466 -9.259 -5.976 190 HE ARG 22 HE ARG 22 9.849 -7.342 -8.132 191 1HH1 ARG 22 1HH1 ARG 22 10.257 -10.615 -6.970 192 2HH1 ARG 22 2HH1 ARG 22 9.923 -11.345 -8.513 193 1HH2 ARG 22 1HH2 ARG 22 9.394 -8.295 -10.172 194 2HH2 ARG 22 2HH2 ARG 22 9.387 -10.029 -10.320 195 H ALA 23 H ALA 23 8.810 -8.255 -1.314 196 HA ALA 23 HA ALA 23 9.512 -8.886 0.752 197 1HB ALA 23 1HB ALA 23 11.819 -8.620 -0.015 198 2HB ALA 23 2HB ALA 23 11.636 -8.133 1.670 199 3HB ALA 23 3HB ALA 23 11.763 -6.909 0.408 200 H GLN 24 H GLN 24 9.697 -5.367 0.254 201 HA GLN 24 HA GLN 24 8.878 -4.687 2.883 202 1HB GLN 24 2HB GLN 24 8.637 -3.115 0.305 203 2HB GLN 24 1HB GLN 24 8.380 -2.456 1.916 204 1HG GLN 24 2HG GLN 24 10.954 -3.605 0.864 205 2HG GLN 24 1HG GLN 24 10.585 -1.893 1.068 206 1HE2 GLN 24 1HE2 GLN 24 10.479 -1.029 3.159 207 2HE2 GLN 24 2HE2 GLN 24 11.176 -1.850 4.514 208 H ALA 25 H ALA 25 7.209 -5.402 -0.095 209 HA ALA 25 HA ALA 25 5.088 -6.033 -0.558 210 1HB ALA 25 1HB ALA 25 3.758 -7.051 1.203 211 2HB ALA 25 2HB ALA 25 4.842 -6.390 2.426 212 3HB ALA 25 3HB ALA 25 5.431 -7.601 1.287 213 H GLU 26 H GLU 26 5.634 -3.250 -0.252 214 HA GLU 26 HA GLU 26 2.986 -2.324 0.631 215 1HB GLU 26 2HB GLU 26 4.084 -0.099 1.008 216 2HB GLU 26 1HB GLU 26 4.607 -1.375 2.098 217 1HG GLU 26 2HG GLU 26 6.598 -1.703 0.638 218 2HG GLU 26 1HG GLU 26 6.094 -0.282 -0.275 219 H LEU 27 H LEU 27 1.801 -1.087 -0.715 220 HA LEU 27 HA LEU 27 2.764 -0.817 -3.461 221 1HB LEU 27 2HB LEU 27 0.020 -0.258 -2.329 222 2HB LEU 27 1HB LEU 27 0.452 -0.275 -4.022 223 HG LEU 27 HG LEU 27 0.564 -2.693 -2.219 224 1HD1 LEU 27 1HD1 LEU 27 -1.733 -1.928 -2.539 225 2HD1 LEU 27 2HD1 LEU 27 -1.433 -3.435 -3.406 226 3HD1 LEU 27 3HD1 LEU 27 -1.489 -1.905 -4.284 227 1HD2 LEU 27 1HD2 LEU 27 0.828 -2.404 -5.212 228 2HD2 LEU 27 2HD2 LEU 27 0.804 -3.925 -4.320 229 3HD2 LEU 27 3HD2 LEU 27 2.131 -2.787 -4.087 230 H VAL 28 H VAL 28 3.892 0.952 -3.823 231 HA VAL 28 HA VAL 28 3.432 3.372 -2.303 232 HB VAL 28 HB VAL 28 5.381 2.876 -4.562 233 1HG1 VAL 28 1HG1 VAL 28 5.269 5.081 -2.509 234 2HG1 VAL 28 2HG1 VAL 28 4.914 5.240 -4.230 235 3HG1 VAL 28 3HG1 VAL 28 6.551 4.848 -3.700 236 1HG2 VAL 28 1HG2 VAL 28 5.814 2.755 -1.580 237 2HG2 VAL 28 2HG2 VAL 28 7.067 2.603 -2.812 238 3HG2 VAL 28 3HG2 VAL 28 5.802 1.380 -2.686 239 H CYS 29 H CYS 29 1.759 4.596 -2.870 240 HA CYS 29 HA CYS 29 1.021 4.913 -5.664 241 1HB CYS 29 2HB CYS 29 -0.766 4.818 -3.965 242 2HB CYS 29 1HB CYS 29 -0.082 6.229 -3.163 243 HG CYS 29 HG CYS 29 -2.219 7.324 -4.391 244 H ASN 30 H ASN 30 2.250 6.226 -6.860 245 HA ASN 30 HA ASN 30 3.901 8.235 -5.608 246 1HB ASN 30 2HB ASN 30 3.570 7.438 -8.508 247 2HB ASN 30 1HB ASN 30 4.717 8.649 -7.940 248 1HD2 ASN 30 1HD2 ASN 30 3.994 5.293 -8.188 249 2HD2 ASN 30 2HD2 ASN 30 5.509 4.700 -7.600 250 H ALA 31 H ALA 31 0.781 8.304 -6.186 251 HA ALA 31 HA ALA 31 0.709 11.047 -7.219 252 1HB ALA 31 1HB ALA 31 -1.704 10.723 -7.418 253 2HB ALA 31 2HB ALA 31 -1.558 9.125 -6.688 254 3HB ALA 31 3HB ALA 31 -0.828 9.445 -8.261 255 H ASP 32 H ASP 32 -0.677 9.119 -4.551 256 HA ASP 32 HA ASP 32 -1.226 11.497 -2.997 257 1HB ASP 32 2HB ASP 32 -1.442 8.590 -2.177 258 2HB ASP 32 1HB ASP 32 -2.100 9.965 -1.302 259 H ARG 33 H ARG 33 1.387 9.432 -3.473 260 HA ARG 33 HA ARG 33 3.336 8.970 -2.431 261 1HB ARG 33 2HB ARG 33 2.705 11.564 -1.039 262 2HB ARG 33 1HB ARG 33 4.199 10.674 -0.770 263 1HG ARG 33 2HG ARG 33 4.446 10.771 -3.339 264 2HG ARG 33 1HG ARG 33 3.249 12.064 -3.241 265 1HD ARG 33 2HD ARG 33 5.857 11.985 -1.744 266 2HD ARG 33 1HD ARG 33 5.570 12.893 -3.226 267 HE ARG 33 HE ARG 33 3.658 13.607 -1.275 268 1HH1 ARG 33 1HH1 ARG 33 7.065 14.016 -2.020 269 2HH1 ARG 33 2HH1 ARG 33 7.181 15.541 -1.186 270 1HH2 ARG 33 1HH2 ARG 33 3.805 15.566 -0.191 271 2HH2 ARG 33 2HH2 ARG 33 5.321 16.429 -0.140 272 H LEU 34 H LEU 34 1.172 7.592 -1.609 273 HA LEU 34 HA LEU 34 1.689 7.184 1.259 274 1HB LEU 34 2HB LEU 34 -0.828 6.780 -0.345 275 2HB LEU 34 1HB LEU 34 -0.592 6.043 1.228 276 HG LEU 34 HG LEU 34 -0.456 9.014 0.773 277 1HD1 LEU 34 1HD1 LEU 34 -2.681 8.233 0.173 278 2HD1 LEU 34 2HD1 LEU 34 -2.728 9.095 1.710 279 3HD1 LEU 34 3HD1 LEU 34 -2.790 7.333 1.684 280 1HD2 LEU 34 1HD2 LEU 34 -0.756 7.330 3.252 281 2HD2 LEU 34 2HD2 LEU 34 -0.801 9.093 3.200 282 3HD2 LEU 34 3HD2 LEU 34 0.678 8.234 2.767 283 H ALA 35 H ALA 35 2.019 5.096 1.962 284 HA ALA 35 HA ALA 35 2.393 3.089 -0.166 285 1HB ALA 35 1HB ALA 35 3.816 3.269 2.490 286 2HB ALA 35 2HB ALA 35 4.483 3.765 0.934 287 3HB ALA 35 3HB ALA 35 4.101 2.069 1.230 288 H PHE 36 H PHE 36 0.729 1.735 -0.174 289 HA PHE 36 HA PHE 36 -0.696 1.120 2.290 290 1HB PHE 36 2HB PHE 36 -1.209 0.393 -0.602 291 2HB PHE 36 1HB PHE 36 -2.188 -0.203 0.732 292 HD1 PHE 36 1HD PHE 36 -1.311 2.715 -1.281 293 HD2 PHE 36 2HD PHE 36 -3.686 1.244 1.927 294 HE1 PHE 36 1HE PHE 36 -2.700 4.738 -1.387 295 HE2 PHE 36 2HE PHE 36 -5.087 3.266 1.827 296 HZ PHE 36 HZ PHE 36 -4.590 5.020 0.166 297 HA PRO 37 HA PRO 37 1.994 -2.435 2.718 298 1HB PRO 37 2HB PRO 37 0.522 -2.934 5.188 299 2HB PRO 37 1HB PRO 37 2.216 -2.492 4.970 300 1HG PRO 37 2HG PRO 37 0.392 -0.803 6.043 301 2HG PRO 37 1HG PRO 37 1.782 -0.239 5.098 302 1HD PRO 37 2HD PRO 37 -1.075 -0.568 4.256 303 2HD PRO 37 1HD PRO 37 0.066 0.743 3.883 304 H VAL 38 H VAL 38 1.700 -4.384 1.883 305 HA VAL 38 HA VAL 38 -0.989 -5.543 1.841 306 HB VAL 38 HB VAL 38 1.496 -6.474 0.386 307 1HG1 VAL 38 1HG1 VAL 38 -1.390 -7.293 0.090 308 2HG1 VAL 38 2HG1 VAL 38 -0.084 -8.272 0.757 309 3HG1 VAL 38 3HG1 VAL 38 -0.063 -7.818 -0.946 310 1HG2 VAL 38 1HG2 VAL 38 0.802 -4.277 -0.390 311 2HG2 VAL 38 2HG2 VAL 38 -0.843 -4.864 -0.633 312 3HG2 VAL 38 3HG2 VAL 38 0.477 -5.500 -1.616 313 H ARG 39 H ARG 39 -1.492 -6.865 3.424 314 HA ARG 39 HA ARG 39 0.614 -8.116 4.999 315 1HB ARG 39 2HB ARG 39 -1.119 -6.928 6.216 316 2HB ARG 39 1HB ARG 39 -2.368 -7.891 5.441 317 1HG ARG 39 2HG ARG 39 -1.509 -9.892 6.561 318 2HG ARG 39 1HG ARG 39 -0.273 -8.905 7.348 319 1HD ARG 39 2HD ARG 39 -1.895 -7.682 8.564 320 2HD ARG 39 1HD ARG 39 -3.216 -8.348 7.605 321 HE ARG 39 HE ARG 39 -1.812 -10.422 8.930 322 1HH1 ARG 39 1HH1 ARG 39 -4.005 -7.766 9.586 323 2HH1 ARG 39 2HH1 ARG 39 -4.815 -8.583 10.891 324 1HH2 ARG 39 1HH2 ARG 39 -2.872 -11.503 10.658 325 2HH2 ARG 39 2HH2 ARG 39 -4.172 -10.703 11.500 326 H ASP 40 H ASP 40 1.259 -9.616 3.444 327 HA ASP 40 HA ASP 40 1.362 -11.649 2.446 328 1HB ASP 40 2HB ASP 40 1.086 -12.184 4.945 329 2HB ASP 40 1HB ASP 40 -0.574 -12.607 4.545 330 H GLY 41 H GLY 41 0.093 -10.564 0.693 331 1HA GLY 41 2HA GLY 41 -1.317 -11.186 -1.069 332 2HA GLY 41 1HA GLY 41 -2.140 -12.305 0.009 333 H VAL 42 H VAL 42 -2.565 -10.207 2.058 334 HA VAL 42 HA VAL 42 -4.932 -9.032 0.774 335 HB VAL 42 HB VAL 42 -4.342 -9.357 3.729 336 1HG1 VAL 42 1HG1 VAL 42 -5.864 -7.507 3.264 337 2HG1 VAL 42 2HG1 VAL 42 -6.717 -8.841 4.039 338 3HG1 VAL 42 3HG1 VAL 42 -6.888 -8.575 2.304 339 1HG2 VAL 42 1HG2 VAL 42 -6.012 -11.163 3.653 340 2HG2 VAL 42 2HG2 VAL 42 -4.593 -11.522 2.669 341 3HG2 VAL 42 3HG2 VAL 42 -6.093 -10.999 1.901 342 HA PRO 43 HA PRO 43 -2.576 -5.169 1.127 343 1HB PRO 43 2HB PRO 43 -4.235 -3.724 -0.460 344 2HB PRO 43 1HB PRO 43 -2.990 -4.802 -1.102 345 1HG PRO 43 2HG PRO 43 -5.927 -5.268 -0.792 346 2HG PRO 43 1HG PRO 43 -4.861 -5.708 -2.138 347 1HD PRO 43 2HD PRO 43 -5.673 -7.475 -0.233 348 2HD PRO 43 1HD PRO 43 -4.122 -7.613 -1.085 349 H ILE 44 H ILE 44 -2.787 -3.892 2.852 350 HA ILE 44 HA ILE 44 -5.291 -3.688 4.240 351 HB ILE 44 HB ILE 44 -2.713 -2.197 4.769 352 1HG1 ILE 44 2HG1 ILE 44 -2.342 -4.594 4.926 353 2HG1 ILE 44 1HG1 ILE 44 -2.364 -3.901 6.546 354 1HG2 ILE 44 1HG2 ILE 44 -4.671 -1.131 5.766 355 2HG2 ILE 44 2HG2 ILE 44 -3.618 -1.820 7.002 356 3HG2 ILE 44 3HG2 ILE 44 -5.108 -2.651 6.548 357 1HD1 ILE 44 1HD1 ILE 44 -4.667 -4.679 6.826 358 2HD1 ILE 44 2HD1 ILE 44 -3.555 -6.005 6.486 359 3HD1 ILE 44 3HD1 ILE 44 -4.616 -5.395 5.215 360 H MET 45 H MET 45 -6.733 -2.634 2.961 361 HA MET 45 HA MET 45 -6.086 -0.070 1.792 362 1HB MET 45 2HB MET 45 -8.709 -1.576 1.902 363 2HB MET 45 1HB MET 45 -8.415 -0.118 0.964 364 1HG MET 45 2HG MET 45 -6.748 -1.303 -0.365 365 2HG MET 45 1HG MET 45 -7.024 -2.761 0.584 366 1HE MET 45 1HE MET 45 -8.556 -0.235 -2.010 367 2HE MET 45 2HE MET 45 -9.678 -0.137 -0.653 368 3HE MET 45 3HE MET 45 -10.198 -0.860 -2.177 369 H LEU 46 H LEU 46 -5.555 0.496 4.187 370 HA LEU 46 HA LEU 46 -7.882 1.972 5.213 371 1HB LEU 46 2HB LEU 46 -5.798 0.504 6.828 372 2HB LEU 46 1HB LEU 46 -6.915 1.668 7.513 373 HG LEU 46 HG LEU 46 -7.703 -0.917 6.164 374 1HD1 LEU 46 1HD1 LEU 46 -6.598 -1.285 8.308 375 2HD1 LEU 46 2HD1 LEU 46 -8.320 -1.657 8.400 376 3HD1 LEU 46 3HD1 LEU 46 -7.705 -0.149 9.079 377 1HD2 LEU 46 1HD2 LEU 46 -9.356 1.153 7.609 378 2HD2 LEU 46 2HD2 LEU 46 -9.941 -0.413 7.049 379 3HD2 LEU 46 3HD2 LEU 46 -9.401 0.794 5.883 380 H GLU 47 H GLU 47 -7.467 3.992 4.743 381 HA GLU 47 HA GLU 47 -4.973 5.040 4.073 382 1HB GLU 47 2HB GLU 47 -7.365 6.615 5.042 383 2HB GLU 47 1HB GLU 47 -6.048 7.213 4.048 384 1HG GLU 47 2HG GLU 47 -7.651 6.892 2.461 385 2HG GLU 47 1HG GLU 47 -6.839 5.330 2.405 386 H ALA 48 H ALA 48 -6.559 4.849 7.189 387 HA ALA 48 HA ALA 48 -4.780 6.801 8.383 388 1HB ALA 48 1HB ALA 48 -6.008 6.379 10.443 389 2HB ALA 48 2HB ALA 48 -6.852 5.037 9.674 390 3HB ALA 48 3HB ALA 48 -7.110 6.683 9.100 391 H GLU 49 H GLU 49 -4.336 3.685 7.495 392 HA GLU 49 HA GLU 49 -2.321 3.317 9.608 393 1HB GLU 49 2HB GLU 49 -3.975 1.120 8.353 394 2HB GLU 49 1HB GLU 49 -2.652 0.883 9.487 395 1HG GLU 49 2HG GLU 49 -4.047 2.399 11.054 396 2HG GLU 49 1HG GLU 49 -5.381 1.996 9.974 397 H ALA 50 H ALA 50 -2.507 4.280 6.693 398 HA ALA 50 HA ALA 50 -0.527 2.483 5.500 399 1HB ALA 50 1HB ALA 50 -1.990 4.832 4.301 400 2HB ALA 50 2HB ALA 50 -2.413 3.133 4.086 401 3HB ALA 50 3HB ALA 50 -0.893 3.754 3.442 402 H ARG 51 H ARG 51 1.581 3.012 5.442 403 HA ARG 51 HA ARG 51 2.498 5.285 6.881 404 1HB ARG 51 2HB ARG 51 3.812 3.248 6.906 405 2HB ARG 51 1HB ARG 51 4.002 3.301 5.158 406 1HG ARG 51 2HG ARG 51 5.448 5.148 5.263 407 2HG ARG 51 1HG ARG 51 5.006 5.497 6.935 408 1HD ARG 51 2HD ARG 51 7.222 4.477 6.780 409 2HD ARG 51 1HD ARG 51 6.097 3.463 7.676 410 HE ARG 51 HE ARG 51 5.928 2.449 5.190 411 1HH1 ARG 51 1HH1 ARG 51 8.678 3.240 7.214 412 2HH1 ARG 51 2HH1 ARG 51 9.672 1.962 6.583 413 1HH2 ARG 51 1HH2 ARG 51 7.251 0.765 4.343 414 2HH2 ARG 51 2HH2 ARG 51 8.859 0.569 4.963 415 H SER 52 H SER 52 2.786 7.273 6.187 416 HA SER 52 HA SER 52 2.416 7.817 3.375 417 1HB SER 52 2HB SER 52 1.112 9.150 4.840 418 2HB SER 52 1HB SER 52 2.523 9.621 5.777 419 HG SER 52 HG SER 52 1.504 10.986 3.875 420 H LEU 53 H LEU 53 3.714 9.083 2.161 421 HA LEU 53 HA LEU 53 6.511 9.379 3.062 422 1HB LEU 53 2HB LEU 53 5.517 8.896 0.241 423 2HB LEU 53 1HB LEU 53 7.191 9.094 0.719 424 HG LEU 53 HG LEU 53 5.410 6.806 1.561 425 1HD1 LEU 53 1HD1 LEU 53 6.783 5.461 0.049 426 2HD1 LEU 53 2HD1 LEU 53 7.624 6.916 -0.481 427 3HD1 LEU 53 3HD1 LEU 53 5.904 6.721 -0.816 428 1HD2 LEU 53 1HD2 LEU 53 7.135 7.325 3.207 429 2HD2 LEU 53 2HD2 LEU 53 8.368 7.253 1.949 430 3HD2 LEU 53 3HD2 LEU 53 7.473 5.800 2.392 431 H ASP 54 H ASP 54 3.814 10.959 2.753 432 HA ASP 54 HA ASP 54 4.652 13.137 0.998 433 1HB ASP 54 2HB ASP 54 2.375 12.188 0.809 434 2HB ASP 54 1HB ASP 54 2.044 12.681 2.465 435 H ALA 55 H ALA 55 4.388 12.383 4.354 436 HA ALA 55 HA ALA 55 5.121 15.151 5.016 437 1HB ALA 55 1HB ALA 55 3.116 13.521 6.562 438 2HB ALA 55 2HB ALA 55 2.708 14.808 5.428 439 3HB ALA 55 3HB ALA 55 3.618 15.179 6.894 440 H GLU 56 H GLU 56 6.551 12.501 4.829 441 HA GLU 56 HA GLU 56 8.077 11.233 5.961 442 1HB GLU 56 2HB GLU 56 8.729 13.689 6.662 443 2HB GLU 56 1HB GLU 56 8.076 13.210 8.219 444 1HG GLU 56 2HG GLU 56 10.419 12.888 8.305 445 2HG GLU 56 1HG GLU 56 9.690 11.290 8.207 446 H ALA 57 H ALA 57 8.196 11.246 8.954 447 HA ALA 57 HA ALA 57 7.312 10.179 10.735 448 1HB ALA 57 1HB ALA 57 4.662 10.891 9.495 449 2HB ALA 57 2HB ALA 57 5.593 11.904 10.597 450 3HB ALA 57 3HB ALA 57 4.924 10.373 11.160 451 HA PRO 58 HA PRO 58 6.789 6.148 8.660 452 1HB PRO 58 2HB PRO 58 8.296 5.223 10.991 453 2HB PRO 58 1HB PRO 58 8.662 5.031 9.276 454 1HG PRO 58 2HG PRO 58 10.100 6.662 10.878 455 2HG PRO 58 1HG PRO 58 9.823 7.016 9.163 456 1HD PRO 58 2HD PRO 58 8.466 8.157 11.577 457 2HD PRO 58 1HD PRO 58 8.991 8.971 10.087 458 H ALA 59 H ALA 59 4.574 6.530 9.336 459 HA ALA 59 HA ALA 59 3.765 5.822 12.012 460 1HB ALA 59 1HB ALA 59 2.613 7.602 10.812 461 2HB ALA 59 2HB ALA 59 1.499 6.293 11.208 462 3HB ALA 59 3HB ALA 59 2.118 6.457 9.565 463 H GLN 60 H GLN 60 5.117 3.733 10.716 464 HA GLN 60 HA GLN 60 2.961 1.741 10.512 465 1HB GLN 60 2HB GLN 60 4.169 2.204 8.345 466 2HB GLN 60 1HB GLN 60 5.631 1.597 9.104 467 1HG GLN 60 2HG GLN 60 4.687 -0.589 9.331 468 2HG GLN 60 1HG GLN 60 3.110 -0.017 8.782 469 1HE2 GLN 60 1HE2 GLN 60 4.820 -2.118 7.679 470 2HE2 GLN 60 2HE2 GLN 60 5.150 -1.668 6.038 471 HA PRO 61 HA PRO 61 5.652 0.883 14.118 472 1HB PRO 61 2HB PRO 61 3.265 0.199 15.581 473 2HB PRO 61 1HB PRO 61 4.336 1.581 15.809 474 1HG PRO 61 2HG PRO 61 1.757 1.774 14.899 475 2HG PRO 61 1HG PRO 61 3.026 2.962 14.546 476 1HD PRO 61 2HD PRO 61 1.988 0.729 12.841 477 2HD PRO 61 1HD PRO 61 2.432 2.386 12.378 478 H SER 62 H SER 62 6.442 -0.995 13.058 479 HA SER 62 HA SER 62 5.040 -3.443 13.890 480 1HB SER 62 2HB SER 62 5.017 -3.168 11.423 481 2HB SER 62 1HB SER 62 6.779 -3.099 11.433 482 HG SER 62 HG SER 62 5.377 -5.289 12.550 483 H LEU 63 H LEU 63 6.099 -4.458 15.428 484 HA LEU 63 HA LEU 63 8.987 -4.020 15.724 485 1HB LEU 63 2HB LEU 63 6.951 -5.085 17.688 486 2HB LEU 63 1HB LEU 63 8.661 -4.880 18.025 487 HG LEU 63 HG LEU 63 6.730 -2.650 17.372 488 1HD1 LEU 63 1HD1 LEU 63 7.001 -2.021 19.710 489 2HD1 LEU 63 2HD1 LEU 63 8.014 -3.439 19.981 490 3HD1 LEU 63 3HD1 LEU 63 6.312 -3.637 19.560 491 1HD2 LEU 63 1HD2 LEU 63 8.993 -2.162 16.614 492 2HD2 LEU 63 2HD2 LEU 63 9.628 -2.573 18.207 493 3HD2 LEU 63 3HD2 LEU 63 8.573 -1.174 18.012 494 H GLU 64 H GLU 64 7.124 -6.072 14.163 495 HA GLU 64 HA GLU 64 8.075 -8.612 15.020 496 1HB GLU 64 2HB GLU 64 5.996 -8.146 13.634 497 2HB GLU 64 1HB GLU 64 7.068 -7.910 12.260 498 1HG GLU 64 2HG GLU 64 7.768 -10.161 12.295 499 2HG GLU 64 1HG GLU 64 7.064 -10.432 13.887 500 H HIS 65 H HIS 65 9.553 -9.972 13.861 501 HA HIS 65 HA HIS 65 12.072 -8.976 13.702 502 1HB HIS 65 2HB HIS 65 11.474 -11.384 13.791 503 2HB HIS 65 1HB HIS 65 11.055 -11.320 12.082 504 HD1 HIS 65 1HD HIS 65 12.873 -11.995 10.550 505 HD2 HIS 65 2HD HIS 65 14.329 -10.623 14.198 506 HE1 HIS 65 1HE HIS 65 15.372 -12.267 10.433 507 HE2 HIS 65 2HE HIS 65 16.241 -11.276 12.586 508 H HIS 66 H HIS 66 12.937 -7.472 12.482 509 HA HIS 66 HA HIS 66 11.967 -7.030 9.764 510 1HB HIS 66 2HB HIS 66 13.351 -5.378 11.804 511 2HB HIS 66 1HB HIS 66 13.723 -5.030 10.120 512 HD1 HIS 66 1HD HIS 66 10.463 -5.623 12.064 513 HD2 HIS 66 2HD HIS 66 12.133 -3.067 9.230 514 HE1 HIS 66 1HE HIS 66 8.667 -3.951 11.505 515 HE2 HIS 66 2HE HIS 66 9.776 -2.306 9.952 516 H HIS 67 H HIS 67 13.938 -6.035 8.376 517 HA HIS 67 HA HIS 67 16.426 -7.391 8.537 518 1HB HIS 67 2HB HIS 67 16.198 -8.921 6.670 519 2HB HIS 67 1HB HIS 67 14.941 -9.296 7.845 520 HD1 HIS 67 1HD HIS 67 15.220 -9.394 4.444 521 HD2 HIS 67 2HD HIS 67 12.547 -7.391 6.924 522 HE1 HIS 67 1HE HIS 67 13.200 -8.895 3.017 523 HE2 HIS 67 2HE HIS 67 11.660 -7.559 4.507 524 H HIS 68 H HIS 68 17.606 -7.101 6.300 525 HA HIS 68 HA HIS 68 16.819 -4.460 5.259 526 1HB HIS 68 2HB HIS 68 19.463 -5.911 5.195 527 2HB HIS 68 1HB HIS 68 19.160 -4.423 4.308 528 HD1 HIS 68 1HD HIS 68 18.511 -2.306 5.858 529 HD2 HIS 68 2HD HIS 68 20.288 -5.553 7.757 530 HE1 HIS 68 1HE HIS 68 19.357 -1.427 8.055 531 HE2 HIS 68 2HE HIS 68 20.665 -3.342 9.043 532 H HIS 69 H HIS 69 18.440 -7.353 3.962 533 HA HIS 69 HA HIS 69 18.222 -8.516 2.036 534 1HB HIS 69 2HB HIS 69 15.802 -8.595 2.521 535 2HB HIS 69 1HB HIS 69 15.592 -7.063 1.681 536 HD1 HIS 69 1HD HIS 69 15.885 -10.712 1.118 537 HD2 HIS 69 2HD HIS 69 15.926 -7.226 -1.164 538 HE1 HIS 69 1HE HIS 69 15.575 -11.451 -1.267 539 HE2 HIS 69 2HE HIS 69 15.468 -9.320 -2.610 540 H HIS 70 H HIS 70 19.496 -8.146 0.403 541 HA HIS 70 HA HIS 70 19.025 -5.891 -1.366 542 1HB HIS 70 2HB HIS 70 20.578 -4.894 0.195 543 2HB HIS 70 1HB HIS 70 21.636 -6.297 0.108 544 HD1 HIS 70 1HD HIS 70 20.253 -3.739 -2.367 545 HD2 HIS 70 2HD HIS 70 23.723 -5.873 -1.519 546 HE1 HIS 70 1HE HIS 70 21.960 -2.952 -4.038 547 HE2 HIS 70 2HE HIS 70 23.992 -4.391 -3.619 Start of MODEL 17 1 1H MET 1 1H MET 1 -18.527 -14.509 -12.724 2 2H MET 1 2H MET 1 -18.711 -15.860 -11.720 3 3H MET 1 3H MET 1 -18.604 -16.062 -13.398 4 HA MET 1 HA MET 1 -16.449 -14.998 -11.663 5 1HB MET 1 2HB MET 1 -16.840 -17.710 -12.943 6 2HB MET 1 1HB MET 1 -15.298 -17.156 -12.306 7 1HG MET 1 2HG MET 1 -17.831 -17.484 -10.718 8 2HG MET 1 1HG MET 1 -16.480 -18.615 -10.747 9 1HE MET 1 1HE MET 1 -17.656 -17.486 -8.046 10 2HE MET 1 2HE MET 1 -16.183 -17.074 -7.169 11 3HE MET 1 3HE MET 1 -16.262 -18.564 -8.108 12 H GLU 2 H GLU 2 -14.326 -15.641 -13.018 13 HA GLU 2 HA GLU 2 -12.972 -15.196 -14.765 14 1HB GLU 2 2HB GLU 2 -15.473 -15.895 -16.280 15 2HB GLU 2 1HB GLU 2 -13.954 -15.521 -17.080 16 1HG GLU 2 2HG GLU 2 -12.882 -17.368 -15.863 17 2HG GLU 2 1HG GLU 2 -14.444 -17.771 -15.144 18 H SER 3 H SER 3 -13.815 -12.920 -13.557 19 HA SER 3 HA SER 3 -14.658 -11.000 -15.496 20 1HB SER 3 2HB SER 3 -13.742 -9.360 -13.755 21 2HB SER 3 1HB SER 3 -15.053 -10.413 -13.229 22 HG SER 3 HG SER 3 -13.194 -10.226 -11.768 23 H ARG 4 H ARG 4 -11.605 -12.139 -14.210 24 HA ARG 4 HA ARG 4 -9.470 -12.029 -14.899 25 1HB ARG 4 2HB ARG 4 -10.514 -13.194 -16.843 26 2HB ARG 4 1HB ARG 4 -10.602 -11.641 -17.665 27 1HG ARG 4 2HG ARG 4 -8.134 -11.450 -17.443 28 2HG ARG 4 1HG ARG 4 -8.115 -13.081 -16.773 29 1HD ARG 4 2HD ARG 4 -9.187 -13.889 -18.867 30 2HD ARG 4 1HD ARG 4 -9.028 -12.261 -19.527 31 HE ARG 4 HE ARG 4 -6.584 -13.532 -18.574 32 1HH1 ARG 4 1HH1 ARG 4 -8.604 -12.605 -21.276 33 2HH1 ARG 4 2HH1 ARG 4 -7.352 -12.841 -22.462 34 1HH2 ARG 4 1HH2 ARG 4 -4.944 -13.860 -20.126 35 2HH2 ARG 4 2HH2 ARG 4 -5.278 -13.576 -21.811 36 H LEU 5 H LEU 5 -9.245 -10.010 -13.755 37 HA LEU 5 HA LEU 5 -8.408 -7.915 -15.652 38 1HB LEU 5 2HB LEU 5 -9.541 -7.611 -12.873 39 2HB LEU 5 1HB LEU 5 -8.614 -6.343 -13.642 40 HG LEU 5 HG LEU 5 -10.853 -5.738 -13.952 41 1HD1 LEU 5 1HD1 LEU 5 -9.558 -5.477 -15.981 42 2HD1 LEU 5 2HD1 LEU 5 -11.226 -5.899 -16.372 43 3HD1 LEU 5 3HD1 LEU 5 -9.962 -7.122 -16.474 44 1HD2 LEU 5 1HD2 LEU 5 -12.583 -7.221 -14.799 45 2HD2 LEU 5 2HD2 LEU 5 -11.867 -7.864 -13.319 46 3HD2 LEU 5 3HD2 LEU 5 -11.421 -8.543 -14.884 47 H LEU 6 H LEU 6 -6.595 -6.546 -14.633 48 HA LEU 6 HA LEU 6 -4.582 -8.349 -13.600 49 1HB LEU 6 2HB LEU 6 -4.510 -5.439 -14.391 50 2HB LEU 6 1HB LEU 6 -3.136 -6.256 -13.676 51 HG LEU 6 HG LEU 6 -3.244 -7.879 -15.626 52 1HD1 LEU 6 1HD1 LEU 6 -5.024 -5.740 -16.781 53 2HD1 LEU 6 2HD1 LEU 6 -5.521 -7.377 -16.352 54 3HD1 LEU 6 3HD1 LEU 6 -4.352 -7.122 -17.647 55 1HD2 LEU 6 1HD2 LEU 6 -2.064 -6.358 -17.123 56 2HD2 LEU 6 2HD2 LEU 6 -1.562 -6.129 -15.448 57 3HD2 LEU 6 3HD2 LEU 6 -2.664 -4.977 -16.203 58 H ASP 7 H ASP 7 -4.916 -8.853 -11.523 59 HA ASP 7 HA ASP 7 -5.929 -6.885 -9.665 60 1HB ASP 7 2HB ASP 7 -5.150 -9.786 -9.300 61 2HB ASP 7 1HB ASP 7 -5.778 -8.770 -8.008 62 H ILE 8 H ILE 8 -3.933 -5.588 -10.201 63 HA ILE 8 HA ILE 8 -1.594 -6.391 -8.639 64 HB ILE 8 HB ILE 8 -0.493 -4.418 -9.661 65 1HG1 ILE 8 2HG1 ILE 8 -3.071 -4.161 -11.232 66 2HG1 ILE 8 1HG1 ILE 8 -2.544 -3.054 -9.970 67 1HG2 ILE 8 1HG2 ILE 8 -1.787 -6.284 -11.648 68 2HG2 ILE 8 2HG2 ILE 8 -0.332 -6.621 -10.711 69 3HG2 ILE 8 3HG2 ILE 8 -0.326 -5.333 -11.915 70 1HD1 ILE 8 1HD1 ILE 8 -2.112 -2.133 -12.163 71 2HD1 ILE 8 2HD1 ILE 8 -1.156 -3.551 -12.591 72 3HD1 ILE 8 3HD1 ILE 8 -0.593 -2.460 -11.325 73 H LEU 9 H LEU 9 -4.402 -4.874 -8.079 74 HA LEU 9 HA LEU 9 -5.237 -3.636 -6.393 75 1HB LEU 9 2HB LEU 9 -2.446 -3.821 -5.270 76 2HB LEU 9 1HB LEU 9 -3.814 -3.134 -4.415 77 HG LEU 9 HG LEU 9 -3.565 -6.005 -5.318 78 1HD1 LEU 9 1HD1 LEU 9 -2.084 -5.429 -3.452 79 2HD1 LEU 9 2HD1 LEU 9 -3.376 -6.517 -2.955 80 3HD1 LEU 9 3HD1 LEU 9 -3.467 -4.804 -2.556 81 1HD2 LEU 9 1HD2 LEU 9 -5.710 -4.660 -3.680 82 2HD2 LEU 9 2HD2 LEU 9 -5.611 -6.379 -4.062 83 3HD2 LEU 9 3HD2 LEU 9 -5.880 -5.204 -5.350 84 H VAL 10 H VAL 10 -5.861 -1.711 -7.003 85 HA VAL 10 HA VAL 10 -3.816 0.374 -7.390 86 HB VAL 10 HB VAL 10 -5.493 1.574 -8.802 87 1HG1 VAL 10 1HG1 VAL 10 -3.696 0.280 -9.818 88 2HG1 VAL 10 2HG1 VAL 10 -5.162 0.190 -10.792 89 3HG1 VAL 10 3HG1 VAL 10 -4.700 -1.170 -9.768 90 1HG2 VAL 10 1HG2 VAL 10 -6.996 -1.034 -8.599 91 2HG2 VAL 10 2HG2 VAL 10 -7.367 0.257 -9.744 92 3HG2 VAL 10 3HG2 VAL 10 -7.532 0.539 -8.009 93 H CYS 11 H CYS 11 -4.321 2.482 -6.685 94 HA CYS 11 HA CYS 11 -5.617 2.644 -4.176 95 1HB CYS 11 2HB CYS 11 -3.789 4.143 -4.781 96 2HB CYS 11 1HB CYS 11 -4.742 4.814 -6.100 97 HG CYS 11 HG CYS 11 -4.392 6.132 -3.287 98 HA PRO 12 HA PRO 12 -9.833 3.032 -5.605 99 1HB PRO 12 2HB PRO 12 -10.851 4.075 -3.271 100 2HB PRO 12 1HB PRO 12 -10.589 2.352 -3.557 101 1HG PRO 12 2HG PRO 12 -8.882 4.309 -2.076 102 2HG PRO 12 1HG PRO 12 -9.255 2.623 -1.677 103 1HD PRO 12 2HD PRO 12 -6.906 3.347 -2.772 104 2HD PRO 12 1HD PRO 12 -7.683 1.795 -3.155 105 H VAL 13 H VAL 13 -7.900 5.583 -4.250 106 HA VAL 13 HA VAL 13 -9.790 7.672 -4.880 107 HB VAL 13 HB VAL 13 -6.901 7.926 -4.020 108 1HG1 VAL 13 1HG1 VAL 13 -9.155 9.933 -4.005 109 2HG1 VAL 13 2HG1 VAL 13 -7.740 9.955 -5.059 110 3HG1 VAL 13 3HG1 VAL 13 -7.551 10.191 -3.322 111 1HG2 VAL 13 1HG2 VAL 13 -9.412 7.988 -2.346 112 2HG2 VAL 13 2HG2 VAL 13 -7.771 8.281 -1.766 113 3HG2 VAL 13 3HG2 VAL 13 -8.221 6.689 -2.374 114 H CYS 14 H CYS 14 -6.341 7.577 -5.770 115 HA CYS 14 HA CYS 14 -7.041 8.974 -8.219 116 1HB CYS 14 2HB CYS 14 -4.370 8.412 -6.933 117 2HB CYS 14 1HB CYS 14 -4.594 9.352 -8.406 118 HG CYS 14 HG CYS 14 -4.511 10.477 -5.413 119 H LYS 15 H LYS 15 -7.019 5.867 -7.560 120 HA LYS 15 HA LYS 15 -6.872 3.948 -8.757 121 1HB LYS 15 2HB LYS 15 -6.832 5.782 -11.152 122 2HB LYS 15 1HB LYS 15 -7.315 4.091 -11.127 123 1HG LYS 15 2HG LYS 15 -8.729 6.367 -9.749 124 2HG LYS 15 1HG LYS 15 -9.254 5.531 -11.207 125 1HD LYS 15 2HD LYS 15 -9.443 3.441 -9.923 126 2HD LYS 15 1HD LYS 15 -8.959 4.310 -8.464 127 1HE LYS 15 2HE LYS 15 -11.429 4.799 -10.121 128 2HE LYS 15 1HE LYS 15 -11.368 4.065 -8.521 129 1HZ LYS 15 1HZ LYS 15 -10.484 6.182 -7.669 130 2HZ LYS 15 2HZ LYS 15 -12.029 6.349 -8.336 131 3HZ LYS 15 3HZ LYS 15 -10.671 6.872 -9.207 132 H GLY 16 H GLY 16 -4.328 5.420 -8.068 133 1HA GLY 16 2HA GLY 16 -2.502 4.693 -10.190 134 2HA GLY 16 1HA GLY 16 -2.074 5.395 -8.636 135 H ARG 17 H ARG 17 -0.707 3.253 -9.898 136 HA ARG 17 HA ARG 17 -1.470 0.756 -8.766 137 1HB ARG 17 2HB ARG 17 1.194 1.708 -9.835 138 2HB ARG 17 1HB ARG 17 0.869 0.053 -9.335 139 1HG ARG 17 2HG ARG 17 0.118 -0.393 -11.366 140 2HG ARG 17 1HG ARG 17 -1.169 0.792 -11.143 141 1HD ARG 17 2HD ARG 17 0.094 1.291 -13.149 142 2HD ARG 17 1HD ARG 17 0.334 2.557 -11.945 143 HE ARG 17 HE ARG 17 2.375 0.598 -11.757 144 1HH1 ARG 17 1HH1 ARG 17 1.301 3.278 -13.744 145 2HH1 ARG 17 2HH1 ARG 17 2.898 3.652 -14.328 146 1HH2 ARG 17 1HH2 ARG 17 4.465 1.066 -12.524 147 2HH2 ARG 17 2HH2 ARG 17 4.701 2.380 -13.651 148 H LEU 18 H LEU 18 -1.016 -0.150 -6.850 149 HA LEU 18 HA LEU 18 0.115 1.572 -4.811 150 1HB LEU 18 2HB LEU 18 -1.127 -1.174 -4.651 151 2HB LEU 18 1HB LEU 18 -0.588 -0.244 -3.267 152 HG LEU 18 HG LEU 18 -2.765 0.629 -5.169 153 1HD1 LEU 18 1HD1 LEU 18 -2.954 -0.558 -2.402 154 2HD1 LEU 18 2HD1 LEU 18 -3.452 -1.333 -3.907 155 3HD1 LEU 18 3HD1 LEU 18 -4.299 0.105 -3.334 156 1HD2 LEU 18 1HD2 LEU 18 -1.573 2.475 -4.092 157 2HD2 LEU 18 2HD2 LEU 18 -1.876 1.750 -2.513 158 3HD2 LEU 18 3HD2 LEU 18 -3.224 2.330 -3.491 159 H GLU 19 H GLU 19 1.821 0.970 -3.436 160 HA GLU 19 HA GLU 19 3.580 -1.150 -4.471 161 1HB GLU 19 2HB GLU 19 4.115 1.577 -4.494 162 2HB GLU 19 1HB GLU 19 4.965 0.999 -3.068 163 1HG GLU 19 2HG GLU 19 5.278 -0.145 -5.836 164 2HG GLU 19 1HG GLU 19 6.354 1.043 -5.108 165 H PHE 20 H PHE 20 4.167 -2.606 -2.998 166 HA PHE 20 HA PHE 20 3.055 -2.376 -0.342 167 1HB PHE 20 2HB PHE 20 2.950 -4.498 -1.668 168 2HB PHE 20 1HB PHE 20 4.699 -4.628 -1.531 169 HD1 PHE 20 1HD PHE 20 1.567 -4.555 0.442 170 HD2 PHE 20 2HD PHE 20 5.689 -5.605 0.352 171 HE1 PHE 20 1HE PHE 20 1.298 -5.768 2.564 172 HE2 PHE 20 2HE PHE 20 5.427 -6.821 2.475 173 HZ PHE 20 HZ PHE 20 3.228 -6.906 3.583 174 H GLN 21 H GLN 21 4.307 -0.694 0.528 175 HA GLN 21 HA GLN 21 7.150 -0.749 0.474 176 1HB GLN 21 2HB GLN 21 5.100 0.951 1.807 177 2HB GLN 21 1HB GLN 21 6.751 0.997 2.416 178 1HG GLN 21 2HG GLN 21 5.973 1.485 -0.448 179 2HG GLN 21 1HG GLN 21 6.255 2.748 0.748 180 1HE2 GLN 21 1HE2 GLN 21 7.945 3.632 -0.400 181 2HE2 GLN 21 2HE2 GLN 21 9.501 2.866 -0.520 182 H ARG 22 H ARG 22 8.590 -1.052 2.160 183 HA ARG 22 HA ARG 22 7.594 -3.007 4.117 184 1HB ARG 22 2HB ARG 22 10.442 -2.909 3.122 185 2HB ARG 22 1HB ARG 22 9.620 -4.231 3.933 186 1HG ARG 22 2HG ARG 22 9.697 -5.011 1.783 187 2HG ARG 22 1HG ARG 22 8.121 -4.218 1.790 188 1HD ARG 22 2HD ARG 22 9.197 -2.189 0.844 189 2HD ARG 22 1HD ARG 22 10.712 -3.084 0.736 190 HE ARG 22 HE ARG 22 9.291 -4.668 -0.713 191 1HH1 ARG 22 1HH1 ARG 22 8.960 -1.183 -0.609 192 2HH1 ARG 22 2HH1 ARG 22 8.285 -1.079 -2.212 193 1HH2 ARG 22 1HH2 ARG 22 8.408 -4.517 -2.827 194 2HH2 ARG 22 2HH2 ARG 22 7.986 -2.949 -3.458 195 H ALA 23 H ALA 23 7.231 -1.529 5.705 196 HA ALA 23 HA ALA 23 9.639 -0.899 7.220 197 1HB ALA 23 1HB ALA 23 7.442 1.117 6.722 198 2HB ALA 23 2HB ALA 23 9.093 1.207 6.108 199 3HB ALA 23 3HB ALA 23 8.790 1.323 7.842 200 H GLN 24 H GLN 24 6.100 -0.710 7.167 201 HA GLN 24 HA GLN 24 6.095 -2.315 9.633 202 1HB GLN 24 2HB GLN 24 4.105 -0.174 8.857 203 2HB GLN 24 1HB GLN 24 3.997 -1.199 10.281 204 1HG GLN 24 2HG GLN 24 6.137 -0.240 11.075 205 2HG GLN 24 1HG GLN 24 6.117 0.852 9.692 206 1HE2 GLN 24 1HE2 GLN 24 6.063 2.673 11.001 207 2HE2 GLN 24 2HE2 GLN 24 4.650 3.119 11.899 208 H ALA 25 H ALA 25 4.314 -1.379 6.735 209 HA ALA 25 HA ALA 25 3.607 -3.509 5.417 210 1HB ALA 25 1HB ALA 25 2.979 -4.744 7.472 211 2HB ALA 25 2HB ALA 25 1.650 -4.617 6.321 212 3HB ALA 25 3HB ALA 25 1.684 -3.578 7.745 213 H GLU 26 H GLU 26 3.331 -1.575 4.111 214 HA GLU 26 HA GLU 26 0.589 -0.594 4.202 215 1HB GLU 26 2HB GLU 26 1.399 1.769 3.958 216 2HB GLU 26 1HB GLU 26 1.644 1.052 5.543 217 1HG GLU 26 2HG GLU 26 3.897 0.763 3.681 218 2HG GLU 26 1HG GLU 26 3.523 2.418 4.160 219 H LEU 27 H LEU 27 -0.259 0.041 2.291 220 HA LEU 27 HA LEU 27 1.417 -0.242 -0.103 221 1HB LEU 27 2HB LEU 27 -1.577 0.099 0.109 222 2HB LEU 27 1HB LEU 27 -0.679 -0.266 -1.346 223 HG LEU 27 HG LEU 27 -0.825 -2.106 1.043 224 1HD1 LEU 27 1HD1 LEU 27 -2.352 -2.185 -1.556 225 2HD1 LEU 27 2HD1 LEU 27 -3.027 -1.857 0.039 226 3HD1 LEU 27 3HD1 LEU 27 -2.353 -3.447 -0.325 227 1HD2 LEU 27 1HD2 LEU 27 0.098 -3.756 -0.488 228 2HD2 LEU 27 2HD2 LEU 27 1.173 -2.365 -0.359 229 3HD2 LEU 27 3HD2 LEU 27 0.144 -2.556 -1.778 230 H VAL 28 H VAL 28 2.399 1.593 -0.683 231 HA VAL 28 HA VAL 28 1.211 4.128 0.162 232 HB VAL 28 HB VAL 28 3.996 3.538 -0.858 233 1HG1 VAL 28 1HG1 VAL 28 2.881 6.055 0.372 234 2HG1 VAL 28 2HG1 VAL 28 3.295 5.841 -1.331 235 3HG1 VAL 28 3HG1 VAL 28 4.558 5.781 -0.100 236 1HG2 VAL 28 1HG2 VAL 28 3.563 2.524 1.308 237 2HG2 VAL 28 2HG2 VAL 28 2.971 4.068 1.926 238 3HG2 VAL 28 3HG2 VAL 28 4.669 3.890 1.474 239 H CYS 29 H CYS 29 0.272 5.471 -1.200 240 HA CYS 29 HA CYS 29 0.580 5.194 -4.078 241 1HB CYS 29 2HB CYS 29 -0.882 7.326 -2.502 242 2HB CYS 29 1HB CYS 29 -1.054 6.988 -4.217 243 HG CYS 29 HG CYS 29 -1.689 4.342 -2.287 244 H ASN 30 H ASN 30 1.877 6.508 -5.326 245 HA ASN 30 HA ASN 30 3.993 7.780 -3.875 246 1HB ASN 30 2HB ASN 30 3.551 7.611 -6.866 247 2HB ASN 30 1HB ASN 30 5.032 8.151 -6.079 248 1HD2 ASN 30 1HD2 ASN 30 3.099 5.456 -6.985 249 2HD2 ASN 30 2HD2 ASN 30 4.205 4.226 -6.497 250 H ALA 31 H ALA 31 1.613 8.946 -6.248 251 HA ALA 31 HA ALA 31 2.395 11.651 -6.088 252 1HB ALA 31 1HB ALA 31 0.313 12.151 -7.210 253 2HB ALA 31 2HB ALA 31 -0.315 10.552 -6.810 254 3HB ALA 31 3HB ALA 31 1.047 10.713 -7.919 255 H ASP 32 H ASP 32 -0.316 9.937 -4.541 256 HA ASP 32 HA ASP 32 -1.222 12.152 -3.032 257 1HB ASP 32 2HB ASP 32 -1.615 9.205 -2.470 258 2HB ASP 32 1HB ASP 32 -2.579 10.520 -1.808 259 H ARG 33 H ARG 33 1.324 9.873 -2.552 260 HA ARG 33 HA ARG 33 2.675 9.296 -0.828 261 1HB ARG 33 2HB ARG 33 2.113 12.173 -0.132 262 2HB ARG 33 1HB ARG 33 3.213 11.176 0.814 263 1HG ARG 33 2HG ARG 33 4.348 10.681 -1.449 264 2HG ARG 33 1HG ARG 33 3.473 12.098 -2.019 265 1HD ARG 33 2HD ARG 33 5.220 12.131 0.420 266 2HD ARG 33 1HD ARG 33 5.840 12.459 -1.194 267 HE ARG 33 HE ARG 33 3.805 14.099 0.182 268 1HH1 ARG 33 1HH1 ARG 33 6.431 13.747 -2.102 269 2HH1 ARG 33 2HH1 ARG 33 6.538 15.445 -2.440 270 1HH2 ARG 33 1HH2 ARG 33 3.972 16.340 -0.220 271 2HH2 ARG 33 2HH2 ARG 33 5.168 16.917 -1.356 272 H LEU 34 H LEU 34 0.169 8.359 -0.636 273 HA LEU 34 HA LEU 34 -0.457 8.517 2.241 274 1HB LEU 34 2HB LEU 34 -2.205 8.006 -0.149 275 2HB LEU 34 1HB LEU 34 -2.698 7.521 1.462 276 HG LEU 34 HG LEU 34 -1.959 10.353 0.774 277 1HD1 LEU 34 1HD1 LEU 34 -4.365 10.802 0.627 278 2HD1 LEU 34 2HD1 LEU 34 -4.695 9.078 0.799 279 3HD1 LEU 34 3HD1 LEU 34 -3.842 9.677 -0.626 280 1HD2 LEU 34 1HD2 LEU 34 -3.231 10.858 2.807 281 2HD2 LEU 34 2HD2 LEU 34 -1.869 9.785 3.136 282 3HD2 LEU 34 3HD2 LEU 34 -3.505 9.133 3.056 283 H ALA 35 H ALA 35 -0.166 6.759 3.403 284 HA ALA 35 HA ALA 35 0.422 4.241 2.004 285 1HB ALA 35 1HB ALA 35 1.572 3.575 4.072 286 2HB ALA 35 2HB ALA 35 1.152 5.131 4.790 287 3HB ALA 35 3HB ALA 35 2.229 5.065 3.395 288 H PHE 36 H PHE 36 -1.306 2.985 1.855 289 HA PHE 36 HA PHE 36 -3.363 2.981 3.883 290 1HB PHE 36 2HB PHE 36 -2.988 1.316 1.386 291 2HB PHE 36 1HB PHE 36 -4.375 1.175 2.461 292 HD1 PHE 36 2HD PHE 36 -5.826 3.224 2.812 293 HD2 PHE 36 1HD PHE 36 -2.945 2.919 -0.305 294 HE1 PHE 36 2HE PHE 36 -6.959 5.034 1.593 295 HE2 PHE 36 1HE PHE 36 -4.076 4.727 -1.530 296 HZ PHE 36 HZ PHE 36 -6.086 5.786 -0.582 297 HA PRO 37 HA PRO 37 -1.003 0.115 6.274 298 1HB PRO 37 2HB PRO 37 -3.266 0.027 8.104 299 2HB PRO 37 1HB PRO 37 -1.667 0.736 8.346 300 1HG PRO 37 2HG PRO 37 -3.917 2.230 8.105 301 2HG PRO 37 1HG PRO 37 -2.321 2.798 7.576 302 1HD PRO 37 2HD PRO 37 -4.568 1.662 5.949 303 2HD PRO 37 1HD PRO 37 -3.501 3.038 5.589 304 H VAL 38 H VAL 38 -0.804 -1.974 5.871 305 HA VAL 38 HA VAL 38 -3.145 -3.640 5.407 306 HB VAL 38 HB VAL 38 -0.235 -4.463 5.432 307 1HG1 VAL 38 1HG1 VAL 38 -1.780 -6.308 5.752 308 2HG1 VAL 38 2HG1 VAL 38 -1.020 -6.401 4.163 309 3HG1 VAL 38 3HG1 VAL 38 -2.681 -5.824 4.315 310 1HG2 VAL 38 1HG2 VAL 38 -0.361 -4.364 2.981 311 2HG2 VAL 38 2HG2 VAL 38 -0.582 -2.781 3.723 312 3HG2 VAL 38 3HG2 VAL 38 -1.976 -3.663 3.101 313 H ARG 39 H ARG 39 -4.180 -3.948 7.323 314 HA ARG 39 HA ARG 39 -2.636 -4.262 9.745 315 1HB ARG 39 2HB ARG 39 -4.686 -2.874 9.724 316 2HB ARG 39 1HB ARG 39 -5.634 -4.311 9.363 317 1HG ARG 39 2HG ARG 39 -4.966 -5.299 11.487 318 2HG ARG 39 1HG ARG 39 -3.988 -3.877 11.846 319 1HD ARG 39 2HD ARG 39 -6.015 -2.489 11.784 320 2HD ARG 39 1HD ARG 39 -6.980 -3.931 11.465 321 HE ARG 39 HE ARG 39 -5.559 -4.451 13.777 322 1HH1 ARG 39 1HH1 ARG 39 -7.990 -2.142 12.724 323 2HH1 ARG 39 2HH1 ARG 39 -8.598 -1.876 14.332 324 1HH2 ARG 39 1HH2 ARG 39 -6.372 -4.124 15.853 325 2HH2 ARG 39 2HH2 ARG 39 -7.700 -3.027 16.112 326 H ASP 40 H ASP 40 -1.604 -6.203 9.347 327 HA ASP 40 HA ASP 40 -1.274 -8.446 9.431 328 1HB ASP 40 2HB ASP 40 -2.007 -7.933 11.742 329 2HB ASP 40 1HB ASP 40 -3.663 -8.312 11.282 330 H GLY 41 H GLY 41 -2.148 -8.250 7.119 331 1HA GLY 41 2HA GLY 41 -2.913 -9.962 5.650 332 2HA GLY 41 1HA GLY 41 -4.118 -10.406 6.842 333 H VAL 42 H VAL 42 -5.025 -7.646 7.282 334 HA VAL 42 HA VAL 42 -6.608 -7.431 4.804 335 HB VAL 42 HB VAL 42 -7.430 -6.625 7.596 336 1HG1 VAL 42 1HG1 VAL 42 -8.994 -6.698 5.014 337 2HG1 VAL 42 2HG1 VAL 42 -8.498 -5.254 5.891 338 3HG1 VAL 42 3HG1 VAL 42 -9.673 -6.355 6.605 339 1HG2 VAL 42 1HG2 VAL 42 -8.218 -9.015 5.939 340 2HG2 VAL 42 2HG2 VAL 42 -8.994 -8.534 7.448 341 3HG2 VAL 42 3HG2 VAL 42 -7.300 -9.029 7.445 342 HA PRO 43 HA PRO 43 -4.653 -3.360 4.620 343 1HB PRO 43 2HB PRO 43 -5.812 -3.246 1.950 344 2HB PRO 43 1HB PRO 43 -4.112 -3.273 2.423 345 1HG PRO 43 2HG PRO 43 -5.324 -5.355 1.165 346 2HG PRO 43 1HG PRO 43 -3.973 -5.559 2.295 347 1HD PRO 43 2HD PRO 43 -6.905 -5.947 2.755 348 2HD PRO 43 1HD PRO 43 -5.536 -6.931 3.313 349 H ILE 44 H ILE 44 -5.597 -1.604 5.401 350 HA ILE 44 HA ILE 44 -8.478 -1.237 5.083 351 HB ILE 44 HB ILE 44 -6.514 0.387 6.720 352 1HG1 ILE 44 2HG1 ILE 44 -6.685 -1.896 7.563 353 2HG1 ILE 44 1HG1 ILE 44 -7.502 -0.788 8.657 354 1HG2 ILE 44 1HG2 ILE 44 -9.529 0.381 6.697 355 2HG2 ILE 44 2HG2 ILE 44 -8.488 1.665 6.081 356 3HG2 ILE 44 3HG2 ILE 44 -8.511 1.300 7.807 357 1HD1 ILE 44 1HD1 ILE 44 -9.662 -1.454 7.742 358 2HD1 ILE 44 2HD1 ILE 44 -8.766 -2.846 8.357 359 3HD1 ILE 44 3HD1 ILE 44 -8.849 -2.550 6.622 360 H MET 45 H MET 45 -8.967 -0.385 3.150 361 HA MET 45 HA MET 45 -7.134 1.463 1.866 362 1HB MET 45 2HB MET 45 -9.772 0.377 0.866 363 2HB MET 45 1HB MET 45 -8.546 1.197 -0.094 364 1HG MET 45 2HG MET 45 -8.264 -1.476 1.262 365 2HG MET 45 1HG MET 45 -8.467 -1.188 -0.464 366 1HE MET 45 1HE MET 45 -6.556 1.413 -0.839 367 2HE MET 45 2HE MET 45 -6.664 0.060 -1.962 368 3HE MET 45 3HE MET 45 -5.089 0.592 -1.377 369 H LEU 46 H LEU 46 -8.940 2.133 4.252 370 HA LEU 46 HA LEU 46 -10.542 4.292 3.154 371 1HB LEU 46 2HB LEU 46 -10.045 3.459 6.014 372 2HB LEU 46 1HB LEU 46 -11.152 4.721 5.513 373 HG LEU 46 HG LEU 46 -11.418 1.787 4.832 374 1HD1 LEU 46 1HD1 LEU 46 -11.841 2.252 7.191 375 2HD1 LEU 46 2HD1 LEU 46 -13.336 1.848 6.348 376 3HD1 LEU 46 3HD1 LEU 46 -12.972 3.528 6.744 377 1HD2 LEU 46 1HD2 LEU 46 -12.312 3.248 3.082 378 2HD2 LEU 46 2HD2 LEU 46 -13.268 4.108 4.288 379 3HD2 LEU 46 3HD2 LEU 46 -13.604 2.412 3.945 380 H GLU 47 H GLU 47 -9.681 6.203 2.743 381 HA GLU 47 HA GLU 47 -6.986 6.789 3.264 382 1HB GLU 47 2HB GLU 47 -7.386 8.928 2.246 383 2HB GLU 47 1HB GLU 47 -8.272 7.705 1.355 384 1HG GLU 47 2HG GLU 47 -9.437 9.638 3.350 385 2HG GLU 47 1HG GLU 47 -9.560 9.751 1.597 386 H ALA 48 H ALA 48 -9.898 7.569 5.027 387 HA ALA 48 HA ALA 48 -8.786 9.601 6.669 388 1HB ALA 48 1HB ALA 48 -10.776 9.315 8.049 389 2HB ALA 48 2HB ALA 48 -11.163 7.817 7.200 390 3HB ALA 48 3HB ALA 48 -11.199 9.356 6.336 391 H GLU 49 H GLU 49 -8.551 6.165 6.732 392 HA GLU 49 HA GLU 49 -7.431 6.289 9.452 393 1HB GLU 49 2HB GLU 49 -8.644 3.959 7.958 394 2HB GLU 49 1HB GLU 49 -7.812 3.812 9.501 395 1HG GLU 49 2HG GLU 49 -9.464 5.395 10.473 396 2HG GLU 49 1HG GLU 49 -10.343 5.344 8.948 397 H ALA 50 H ALA 50 -6.425 6.535 6.463 398 HA ALA 50 HA ALA 50 -4.258 4.610 6.489 399 1HB ALA 50 1HB ALA 50 -5.344 5.140 4.365 400 2HB ALA 50 2HB ALA 50 -3.644 5.611 4.334 401 3HB ALA 50 3HB ALA 50 -4.893 6.835 4.551 402 H ARG 51 H ARG 51 -2.009 5.423 6.133 403 HA ARG 51 HA ARG 51 -1.555 7.705 7.931 404 1HB ARG 51 2HB ARG 51 -0.660 5.501 8.673 405 2HB ARG 51 1HB ARG 51 0.349 5.459 7.234 406 1HG ARG 51 2HG ARG 51 0.641 7.897 8.822 407 2HG ARG 51 1HG ARG 51 1.112 6.421 9.664 408 1HD ARG 51 2HD ARG 51 2.108 7.243 6.936 409 2HD ARG 51 1HD ARG 51 2.978 7.515 8.445 410 HE ARG 51 HE ARG 51 2.791 5.065 6.975 411 1HH1 ARG 51 1HH1 ARG 51 3.152 6.399 10.186 412 2HH1 ARG 51 2HH1 ARG 51 4.025 5.036 10.800 413 1HH2 ARG 51 1HH2 ARG 51 3.970 3.245 7.768 414 2HH2 ARG 51 2HH2 ARG 51 4.496 3.250 9.426 415 H SER 52 H SER 52 -1.211 9.501 6.812 416 HA SER 52 HA SER 52 -0.145 9.499 4.171 417 1HB SER 52 2HB SER 52 -1.651 11.232 4.624 418 2HB SER 52 1HB SER 52 -0.834 11.678 6.117 419 HG SER 52 HG SER 52 -0.327 12.413 3.502 420 H LEU 53 H LEU 53 1.776 10.451 3.473 421 HA LEU 53 HA LEU 53 3.935 10.381 5.476 422 1HB LEU 53 2HB LEU 53 4.146 10.071 2.473 423 2HB LEU 53 1HB LEU 53 5.462 9.923 3.621 424 HG LEU 53 HG LEU 53 3.088 8.062 3.464 425 1HD1 LEU 53 1HD1 LEU 53 4.671 6.445 2.554 426 2HD1 LEU 53 2HD1 LEU 53 5.939 7.671 2.565 427 3HD1 LEU 53 3HD1 LEU 53 4.537 7.861 1.511 428 1HD2 LEU 53 1HD2 LEU 53 5.634 7.877 5.074 429 2HD2 LEU 53 2HD2 LEU 53 4.355 6.664 5.006 430 3HD2 LEU 53 3HD2 LEU 53 4.034 8.247 5.718 431 H ASP 54 H ASP 54 1.969 12.470 4.205 432 HA ASP 54 HA ASP 54 4.011 14.496 3.586 433 1HB ASP 54 2HB ASP 54 2.412 13.991 1.747 434 2HB ASP 54 1HB ASP 54 1.088 14.473 2.802 435 H ALA 55 H ALA 55 0.984 13.878 5.297 436 HA ALA 55 HA ALA 55 1.390 16.402 6.770 437 1HB ALA 55 1HB ALA 55 -0.577 16.428 5.273 438 2HB ALA 55 2HB ALA 55 -0.997 16.624 6.976 439 3HB ALA 55 3HB ALA 55 -1.248 15.070 6.180 440 H GLU 56 H GLU 56 1.308 13.064 7.027 441 HA GLU 56 HA GLU 56 0.671 13.197 9.891 442 1HB GLU 56 2HB GLU 56 -0.858 11.767 8.589 443 2HB GLU 56 1HB GLU 56 0.512 10.829 8.015 444 1HG GLU 56 2HG GLU 56 -0.679 9.677 9.790 445 2HG GLU 56 1HG GLU 56 0.969 10.070 10.274 446 H ALA 57 H ALA 57 2.073 12.183 11.345 447 HA ALA 57 HA ALA 57 4.810 12.333 10.716 448 1HB ALA 57 1HB ALA 57 3.939 12.638 12.988 449 2HB ALA 57 2HB ALA 57 5.203 11.406 12.940 450 3HB ALA 57 3HB ALA 57 3.508 10.930 13.049 451 HA PRO 58 HA PRO 58 5.022 8.274 8.897 452 1HB PRO 58 2HB PRO 58 7.297 8.862 7.458 453 2HB PRO 58 1HB PRO 58 5.656 9.248 6.944 454 1HG PRO 58 2HG PRO 58 7.752 11.058 7.715 455 2HG PRO 58 1HG PRO 58 6.122 11.447 7.146 456 1HD PRO 58 2HD PRO 58 7.182 11.370 9.892 457 2HD PRO 58 1HD PRO 58 5.746 12.200 9.262 458 H ALA 59 H ALA 59 5.575 7.038 10.704 459 HA ALA 59 HA ALA 59 8.354 6.868 11.519 460 1HB ALA 59 1HB ALA 59 6.581 6.528 13.183 461 2HB ALA 59 2HB ALA 59 7.603 5.100 13.013 462 3HB ALA 59 3HB ALA 59 6.002 5.128 12.274 463 H GLN 60 H GLN 60 9.558 6.159 9.800 464 HA GLN 60 HA GLN 60 8.649 3.687 8.465 465 1HB GLN 60 2HB GLN 60 8.763 6.201 7.324 466 2HB GLN 60 1HB GLN 60 10.279 5.470 6.815 467 1HG GLN 60 2HG GLN 60 8.634 5.061 5.141 468 2HG GLN 60 1HG GLN 60 8.999 3.538 5.950 469 1HE2 GLN 60 1HE2 GLN 60 7.074 2.605 5.380 470 2HE2 GLN 60 2HE2 GLN 60 5.565 3.051 6.099 471 HA PRO 61 HA PRO 61 13.059 2.894 9.425 472 1HB PRO 61 2HB PRO 61 12.914 1.534 11.730 473 2HB PRO 61 1HB PRO 61 12.889 3.300 11.702 474 1HG PRO 61 2HG PRO 61 10.715 1.409 12.296 475 2HG PRO 61 1HG PRO 61 10.858 3.122 12.718 476 1HD PRO 61 2HD PRO 61 9.419 1.909 10.506 477 2HD PRO 61 1HD PRO 61 9.429 3.606 11.026 478 H SER 62 H SER 62 14.142 0.740 9.563 479 HA SER 62 HA SER 62 14.429 -1.447 9.066 480 1HB SER 62 2HB SER 62 11.502 -1.805 9.743 481 2HB SER 62 1HB SER 62 12.753 -3.051 9.732 482 HG SER 62 HG SER 62 12.406 -0.897 11.521 483 H LEU 63 H LEU 63 14.784 -0.861 6.882 484 HA LEU 63 HA LEU 63 12.525 -1.309 5.052 485 1HB LEU 63 2HB LEU 63 15.211 -0.042 4.500 486 2HB LEU 63 1HB LEU 63 13.875 -0.156 3.372 487 HG LEU 63 HG LEU 63 13.801 1.416 5.950 488 1HD1 LEU 63 1HD1 LEU 63 14.174 2.335 3.104 489 2HD1 LEU 63 2HD1 LEU 63 15.391 2.370 4.380 490 3HD1 LEU 63 3HD1 LEU 63 13.954 3.382 4.506 491 1HD2 LEU 63 1HD2 LEU 63 11.899 1.338 3.609 492 2HD2 LEU 63 2HD2 LEU 63 11.755 2.364 5.037 493 3HD2 LEU 63 3HD2 LEU 63 11.614 0.611 5.190 494 H GLU 64 H GLU 64 12.440 -3.418 4.510 495 HA GLU 64 HA GLU 64 14.963 -4.854 4.128 496 1HB GLU 64 2HB GLU 64 13.653 -6.908 4.366 497 2HB GLU 64 1HB GLU 64 13.436 -5.845 5.746 498 1HG GLU 64 2HG GLU 64 11.282 -6.393 5.447 499 2HG GLU 64 1HG GLU 64 11.341 -5.077 4.274 500 H HIS 65 H HIS 65 14.961 -6.537 2.366 501 HA HIS 65 HA HIS 65 13.968 -5.240 -0.093 502 1HB HIS 65 2HB HIS 65 16.293 -7.160 0.212 503 2HB HIS 65 1HB HIS 65 15.842 -6.293 -1.247 504 HD1 HIS 65 1HD HIS 65 16.944 -4.084 -1.619 505 HD2 HIS 65 2HD HIS 65 17.340 -5.424 2.302 506 HE1 HIS 65 1HE HIS 65 18.544 -2.488 -0.510 507 HE2 HIS 65 2HE HIS 65 18.933 -3.453 1.784 508 H HIS 66 H HIS 66 12.565 -7.278 1.637 509 HA HIS 66 HA HIS 66 11.432 -9.223 1.559 510 1HB HIS 66 2HB HIS 66 11.769 -8.639 -1.332 511 2HB HIS 66 1HB HIS 66 11.289 -10.277 -0.898 512 HD1 HIS 66 1HD HIS 66 10.097 -7.289 1.066 513 HD2 HIS 66 2HD HIS 66 8.673 -10.000 -1.760 514 HE1 HIS 66 1HE HIS 66 7.613 -6.913 0.948 515 HE2 HIS 66 2HE HIS 66 6.755 -8.737 -0.568 516 H HIS 67 H HIS 67 14.181 -9.601 -0.712 517 HA HIS 67 HA HIS 67 14.962 -12.064 0.593 518 1HB HIS 67 2HB HIS 67 16.257 -10.338 -1.518 519 2HB HIS 67 1HB HIS 67 17.099 -11.704 -0.791 520 HD1 HIS 67 1HD HIS 67 15.622 -11.051 -3.796 521 HD2 HIS 67 2HD HIS 67 14.940 -14.035 -0.975 522 HE1 HIS 67 1HE HIS 67 14.543 -12.949 -5.054 523 HE2 HIS 67 2HE HIS 67 14.290 -14.793 -3.357 524 H HIS 68 H HIS 68 14.896 -11.070 2.725 525 HA HIS 68 HA HIS 68 17.225 -9.361 3.283 526 1HB HIS 68 2HB HIS 68 16.036 -8.476 5.203 527 2HB HIS 68 1HB HIS 68 15.030 -8.305 3.770 528 HD1 HIS 68 1HD HIS 68 14.814 -9.267 7.188 529 HD2 HIS 68 2HD HIS 68 13.060 -10.619 3.662 530 HE1 HIS 68 1HE HIS 68 12.756 -10.535 7.890 531 HE2 HIS 68 2HE HIS 68 11.622 -11.193 5.736 532 H HIS 69 H HIS 69 16.682 -12.413 3.255 533 HA HIS 69 HA HIS 69 18.311 -13.016 5.557 534 1HB HIS 69 2HB HIS 69 15.933 -12.970 6.421 535 2HB HIS 69 1HB HIS 69 15.588 -14.315 5.339 536 HD1 HIS 69 1HD HIS 69 15.075 -15.949 7.243 537 HD2 HIS 69 2HD HIS 69 18.888 -14.295 7.458 538 HE1 HIS 69 1HE HIS 69 16.305 -17.286 8.991 539 HE2 HIS 69 2HE HIS 69 18.553 -16.166 9.214 540 H HIS 70 H HIS 70 16.250 -14.276 2.977 541 HA HIS 70 HA HIS 70 18.529 -15.623 1.845 542 1HB HIS 70 2HB HIS 70 16.685 -17.108 3.416 543 2HB HIS 70 1HB HIS 70 16.386 -17.526 1.730 544 HD1 HIS 70 1HD HIS 70 18.372 -18.623 0.409 545 HD2 HIS 70 2HD HIS 70 19.052 -18.066 4.476 546 HE1 HIS 70 1HE HIS 70 20.410 -19.989 0.952 547 HE2 HIS 70 2HE HIS 70 20.927 -19.461 3.362 Start of MODEL 18 1 1H MET 1 1H MET 1 -23.649 9.843 -17.290 2 2H MET 1 2H MET 1 -23.034 10.061 -18.852 3 3H MET 1 3H MET 1 -23.405 11.411 -17.894 4 HA MET 1 HA MET 1 -21.042 11.071 -17.962 5 1HB MET 1 2HB MET 1 -21.967 11.996 -15.912 6 2HB MET 1 1HB MET 1 -22.323 10.384 -15.307 7 1HG MET 1 2HG MET 1 -19.922 9.888 -15.242 8 2HG MET 1 1HG MET 1 -19.584 11.521 -15.813 9 1HE MET 1 1HE MET 1 -17.929 11.761 -13.693 10 2HE MET 1 2HE MET 1 -18.381 10.151 -13.139 11 3HE MET 1 3HE MET 1 -18.451 11.519 -12.028 12 H GLU 2 H GLU 2 -19.569 9.621 -18.543 13 HA GLU 2 HA GLU 2 -20.067 6.802 -18.123 14 1HB GLU 2 2HB GLU 2 -19.106 7.577 -20.259 15 2HB GLU 2 1HB GLU 2 -17.691 8.175 -19.401 16 1HG GLU 2 2HG GLU 2 -17.157 5.899 -18.694 17 2HG GLU 2 1HG GLU 2 -18.574 5.300 -19.552 18 H SER 3 H SER 3 -19.824 6.217 -16.066 19 HA SER 3 HA SER 3 -17.185 5.984 -15.024 20 1HB SER 3 2HB SER 3 -17.781 8.354 -14.383 21 2HB SER 3 1HB SER 3 -19.089 7.695 -13.403 22 HG SER 3 HG SER 3 -16.361 6.974 -13.092 23 H ARG 4 H ARG 4 -17.665 3.815 -14.976 24 HA ARG 4 HA ARG 4 -19.818 2.993 -13.146 25 1HB ARG 4 2HB ARG 4 -18.777 1.615 -15.624 26 2HB ARG 4 1HB ARG 4 -19.879 0.866 -14.479 27 1HG ARG 4 2HG ARG 4 -20.472 3.387 -16.023 28 2HG ARG 4 1HG ARG 4 -20.987 1.771 -16.500 29 1HD ARG 4 2HD ARG 4 -22.829 2.818 -15.401 30 2HD ARG 4 1HD ARG 4 -22.188 1.590 -14.311 31 HE ARG 4 HE ARG 4 -20.946 3.991 -13.659 32 1HH1 ARG 4 1HH1 ARG 4 -24.221 2.755 -13.695 33 2HH1 ARG 4 2HH1 ARG 4 -24.729 3.704 -12.329 34 1HH2 ARG 4 1HH2 ARG 4 -21.599 5.219 -11.863 35 2HH2 ARG 4 2HH2 ARG 4 -23.229 5.090 -11.269 36 H LEU 5 H LEU 5 -18.918 0.192 -13.283 37 HA LEU 5 HA LEU 5 -17.081 0.350 -11.084 38 1HB LEU 5 2HB LEU 5 -19.036 -1.348 -11.624 39 2HB LEU 5 1HB LEU 5 -17.755 -2.228 -12.431 40 HG LEU 5 HG LEU 5 -17.643 -1.424 -9.519 41 1HD1 LEU 5 1HD1 LEU 5 -19.529 -2.925 -9.918 42 2HD1 LEU 5 2HD1 LEU 5 -18.249 -3.721 -9.001 43 3HD1 LEU 5 3HD1 LEU 5 -18.451 -4.068 -10.719 44 1HD2 LEU 5 1HD2 LEU 5 -16.032 -3.413 -11.121 45 2HD2 LEU 5 2HD2 LEU 5 -15.889 -3.128 -9.386 46 3HD2 LEU 5 3HD2 LEU 5 -15.463 -1.853 -10.528 47 H LEU 6 H LEU 6 -15.512 1.505 -12.570 48 HA LEU 6 HA LEU 6 -13.584 -0.491 -13.553 49 1HB LEU 6 2HB LEU 6 -14.332 2.137 -14.832 50 2HB LEU 6 1HB LEU 6 -12.811 1.344 -15.170 51 HG LEU 6 HG LEU 6 -14.206 0.786 -16.963 52 1HD1 LEU 6 1HD1 LEU 6 -12.974 -1.119 -16.049 53 2HD1 LEU 6 2HD1 LEU 6 -14.482 -1.609 -16.825 54 3HD1 LEU 6 3HD1 LEU 6 -14.375 -1.544 -15.064 55 1HD2 LEU 6 1HD2 LEU 6 -16.364 0.099 -14.973 56 2HD2 LEU 6 2HD2 LEU 6 -16.469 -0.143 -16.715 57 3HD2 LEU 6 3HD2 LEU 6 -16.337 1.488 -16.060 58 H ASP 7 H ASP 7 -13.930 2.924 -12.599 59 HA ASP 7 HA ASP 7 -11.271 2.746 -11.347 60 1HB ASP 7 2HB ASP 7 -12.638 5.108 -12.641 61 2HB ASP 7 1HB ASP 7 -11.142 5.224 -11.721 62 H ILE 8 H ILE 8 -13.701 2.038 -10.009 63 HA ILE 8 HA ILE 8 -14.368 4.268 -8.293 64 HB ILE 8 HB ILE 8 -15.846 2.702 -7.118 65 1HG1 ILE 8 2HG1 ILE 8 -14.906 0.648 -9.135 66 2HG1 ILE 8 1HG1 ILE 8 -14.420 0.680 -7.443 67 1HG2 ILE 8 1HG2 ILE 8 -16.113 2.621 -10.121 68 2HG2 ILE 8 2HG2 ILE 8 -16.675 3.911 -9.057 69 3HG2 ILE 8 3HG2 ILE 8 -17.404 2.308 -8.963 70 1HD1 ILE 8 1HD1 ILE 8 -16.751 0.363 -6.779 71 2HD1 ILE 8 2HD1 ILE 8 -16.170 -0.948 -7.806 72 3HD1 ILE 8 3HD1 ILE 8 -17.217 0.301 -8.478 73 H LEU 9 H LEU 9 -11.763 2.334 -8.421 74 HA LEU 9 HA LEU 9 -11.515 2.085 -5.506 75 1HB LEU 9 2HB LEU 9 -10.070 0.595 -7.692 76 2HB LEU 9 1HB LEU 9 -9.759 0.408 -5.978 77 HG LEU 9 HG LEU 9 -12.347 -0.273 -7.377 78 1HD1 LEU 9 1HD1 LEU 9 -11.740 -2.591 -6.866 79 2HD1 LEU 9 2HD1 LEU 9 -10.194 -2.039 -6.220 80 3HD1 LEU 9 3HD1 LEU 9 -10.563 -1.827 -7.932 81 1HD2 LEU 9 1HD2 LEU 9 -11.508 -0.660 -4.505 82 2HD2 LEU 9 2HD2 LEU 9 -12.999 -1.258 -5.233 83 3HD2 LEU 9 3HD2 LEU 9 -12.722 0.479 -5.088 84 H VAL 10 H VAL 10 -10.741 4.085 -5.025 85 HA VAL 10 HA VAL 10 -7.960 4.566 -5.838 86 HB VAL 10 HB VAL 10 -8.383 7.027 -5.635 87 1HG1 VAL 10 1HG1 VAL 10 -8.200 5.958 -7.813 88 2HG1 VAL 10 2HG1 VAL 10 -9.318 7.317 -7.842 89 3HG1 VAL 10 3HG1 VAL 10 -9.940 5.666 -7.820 90 1HG2 VAL 10 1HG2 VAL 10 -10.440 6.942 -4.339 91 2HG2 VAL 10 2HG2 VAL 10 -11.287 6.210 -5.699 92 3HG2 VAL 10 3HG2 VAL 10 -10.676 7.858 -5.826 93 H CYS 11 H CYS 11 -6.783 5.904 -4.236 94 HA CYS 11 HA CYS 11 -7.419 5.078 -1.555 95 1HB CYS 11 2HB CYS 11 -5.081 5.237 -2.335 96 2HB CYS 11 1HB CYS 11 -5.276 6.974 -2.551 97 HG CYS 11 HG CYS 11 -4.095 7.301 -0.274 98 HA PRO 12 HA PRO 12 -9.993 8.611 -0.707 99 1HB PRO 12 2HB PRO 12 -9.746 7.842 2.111 100 2HB PRO 12 1HB PRO 12 -11.181 7.868 1.081 101 1HG PRO 12 2HG PRO 12 -10.053 5.561 1.905 102 2HG PRO 12 1HG PRO 12 -10.832 5.714 0.319 103 1HD PRO 12 2HD PRO 12 -7.918 5.774 1.015 104 2HD PRO 12 1HD PRO 12 -8.736 4.970 -0.342 105 H VAL 13 H VAL 13 -6.809 8.148 0.363 106 HA VAL 13 HA VAL 13 -6.698 10.475 2.055 107 HB VAL 13 HB VAL 13 -4.425 8.786 1.000 108 1HG1 VAL 13 1HG1 VAL 13 -3.673 10.965 1.740 109 2HG1 VAL 13 2HG1 VAL 13 -3.170 9.730 2.894 110 3HG1 VAL 13 3HG1 VAL 13 -4.543 10.776 3.263 111 1HG2 VAL 13 1HG2 VAL 13 -4.475 7.668 3.169 112 2HG2 VAL 13 2HG2 VAL 13 -6.001 7.459 2.316 113 3HG2 VAL 13 3HG2 VAL 13 -5.882 8.620 3.636 114 H CYS 14 H CYS 14 -4.639 9.676 -0.794 115 HA CYS 14 HA CYS 14 -4.709 12.553 -1.431 116 1HB CYS 14 2HB CYS 14 -2.736 10.494 -2.430 117 2HB CYS 14 1HB CYS 14 -2.602 12.245 -2.548 118 HG CYS 14 HG CYS 14 -2.102 10.236 0.134 119 H LYS 15 H LYS 15 -6.506 10.111 -2.297 120 HA LYS 15 HA LYS 15 -7.620 9.365 -4.124 121 1HB LYS 15 2HB LYS 15 -7.025 12.205 -4.928 122 2HB LYS 15 1HB LYS 15 -8.047 11.141 -5.886 123 1HG LYS 15 2HG LYS 15 -8.539 11.864 -3.007 124 2HG LYS 15 1HG LYS 15 -9.319 12.620 -4.391 125 1HD LYS 15 2HD LYS 15 -10.234 10.435 -5.051 126 2HD LYS 15 1HD LYS 15 -9.473 9.703 -3.641 127 1HE LYS 15 2HE LYS 15 -11.820 10.125 -3.209 128 2HE LYS 15 1HE LYS 15 -10.816 11.153 -2.186 129 1HZ LYS 15 1HZ LYS 15 -12.722 12.321 -3.196 130 2HZ LYS 15 2HZ LYS 15 -12.060 12.043 -4.730 131 3HZ LYS 15 3HZ LYS 15 -11.229 13.006 -3.609 132 H GLY 16 H GLY 16 -4.971 8.565 -4.043 133 1HA GLY 16 2HA GLY 16 -3.917 8.791 -6.731 134 2HA GLY 16 1HA GLY 16 -3.240 7.841 -5.417 135 H ARG 17 H ARG 17 -3.795 7.147 -8.236 136 HA ARG 17 HA ARG 17 -5.954 5.243 -8.155 137 1HB ARG 17 2HB ARG 17 -5.515 6.416 -10.228 138 2HB ARG 17 1HB ARG 17 -3.853 5.847 -10.246 139 1HG ARG 17 2HG ARG 17 -4.514 3.637 -10.751 140 2HG ARG 17 1HG ARG 17 -6.206 3.984 -10.383 141 1HD ARG 17 2HD ARG 17 -5.658 3.867 -12.828 142 2HD ARG 17 1HD ARG 17 -6.429 5.362 -12.307 143 HE ARG 17 HE ARG 17 -3.503 5.204 -12.631 144 1HH1 ARG 17 1HH1 ARG 17 -6.589 6.622 -13.497 145 2HH1 ARG 17 2HH1 ARG 17 -5.874 7.993 -14.305 146 1HH2 ARG 17 1HH2 ARG 17 -2.558 6.983 -13.715 147 2HH2 ARG 17 2HH2 ARG 17 -3.586 8.174 -14.459 148 H LEU 18 H LEU 18 -5.764 3.002 -8.192 149 HA LEU 18 HA LEU 18 -3.358 2.058 -6.814 150 1HB LEU 18 2HB LEU 18 -6.054 0.725 -7.097 151 2HB LEU 18 1HB LEU 18 -4.741 0.216 -6.054 152 HG LEU 18 HG LEU 18 -6.257 2.808 -5.763 153 1HD1 LEU 18 1HD1 LEU 18 -7.273 1.770 -3.805 154 2HD1 LEU 18 2HD1 LEU 18 -6.448 0.256 -4.169 155 3HD1 LEU 18 3HD1 LEU 18 -7.672 0.880 -5.274 156 1HD2 LEU 18 1HD2 LEU 18 -3.968 2.928 -4.942 157 2HD2 LEU 18 2HD2 LEU 18 -4.232 1.477 -3.975 158 3HD2 LEU 18 3HD2 LEU 18 -5.123 2.955 -3.610 159 H GLU 19 H GLU 19 -2.404 0.042 -7.356 160 HA GLU 19 HA GLU 19 -3.002 -0.962 -10.066 161 1HB GLU 19 2HB GLU 19 -0.388 -0.806 -8.570 162 2HB GLU 19 1HB GLU 19 -0.614 -1.844 -9.963 163 1HG GLU 19 2HG GLU 19 -1.288 0.253 -11.224 164 2HG GLU 19 1HG GLU 19 -0.644 1.145 -9.842 165 H PHE 20 H PHE 20 -3.520 -3.091 -10.223 166 HA PHE 20 HA PHE 20 -3.538 -4.652 -7.752 167 1HB PHE 20 2HB PHE 20 -5.589 -4.555 -9.163 168 2HB PHE 20 1HB PHE 20 -4.699 -5.329 -10.470 169 HD1 PHE 20 1HD PHE 20 -5.727 -5.828 -6.939 170 HD2 PHE 20 2HD PHE 20 -4.668 -7.637 -10.641 171 HE1 PHE 20 1HE PHE 20 -6.346 -8.032 -6.037 172 HE2 PHE 20 2HE PHE 20 -5.284 -9.840 -9.747 173 HZ PHE 20 HZ PHE 20 -6.125 -10.042 -7.446 174 H GLN 21 H GLN 21 -1.728 -5.754 -7.327 175 HA GLN 21 HA GLN 21 -0.113 -6.678 -9.578 176 1HB GLN 21 2HB GLN 21 0.581 -6.356 -6.656 177 2HB GLN 21 1HB GLN 21 1.680 -6.944 -7.891 178 1HG GLN 21 2HG GLN 21 1.374 -4.783 -9.097 179 2HG GLN 21 1HG GLN 21 0.452 -4.206 -7.711 180 1HE2 GLN 21 1HE2 GLN 21 2.953 -3.211 -8.834 181 2HE2 GLN 21 2HE2 GLN 21 4.107 -3.280 -7.550 182 H ARG 22 H ARG 22 1.077 -8.770 -9.195 183 HA ARG 22 HA ARG 22 -0.941 -10.753 -8.381 184 1HB ARG 22 2HB ARG 22 1.313 -10.946 -10.386 185 2HB ARG 22 1HB ARG 22 0.232 -12.268 -9.965 186 1HG ARG 22 2HG ARG 22 -0.616 -9.648 -11.182 187 2HG ARG 22 1HG ARG 22 -0.412 -11.169 -12.055 188 1HD ARG 22 2HD ARG 22 -2.168 -12.199 -10.770 189 2HD ARG 22 1HD ARG 22 -2.302 -10.773 -9.741 190 HE ARG 22 HE ARG 22 -2.836 -9.702 -12.110 191 1HH1 ARG 22 1HH1 ARG 22 -3.956 -12.720 -10.719 192 2HH1 ARG 22 2HH1 ARG 22 -5.499 -12.659 -11.523 193 1HH2 ARG 22 1HH2 ARG 22 -4.868 -9.617 -13.153 194 2HH2 ARG 22 2HH2 ARG 22 -6.022 -10.893 -12.899 195 H ALA 23 H ALA 23 0.964 -9.537 -6.516 196 HA ALA 23 HA ALA 23 2.666 -11.864 -5.922 197 1HB ALA 23 1HB ALA 23 3.844 -9.731 -6.111 198 2HB ALA 23 2HB ALA 23 3.946 -10.374 -4.474 199 3HB ALA 23 3HB ALA 23 2.835 -9.056 -4.836 200 H GLN 24 H GLN 24 1.330 -9.402 -3.753 201 HA GLN 24 HA GLN 24 0.334 -11.558 -2.015 202 1HB GLN 24 2HB GLN 24 0.960 -8.642 -1.538 203 2HB GLN 24 1HB GLN 24 0.051 -9.596 -0.382 204 1HG GLN 24 2HG GLN 24 2.381 -9.413 0.258 205 2HG GLN 24 1HG GLN 24 1.941 -11.082 -0.077 206 1HE2 GLN 24 1HE2 GLN 24 3.668 -8.284 -1.300 207 2HE2 GLN 24 2HE2 GLN 24 4.696 -9.159 -2.377 208 H ALA 25 H ALA 25 -0.871 -10.167 -4.526 209 HA ALA 25 HA ALA 25 -2.874 -9.418 -5.304 210 1HB ALA 25 1HB ALA 25 -3.989 -10.508 -2.715 211 2HB ALA 25 2HB ALA 25 -3.767 -11.435 -4.202 212 3HB ALA 25 3HB ALA 25 -4.914 -10.091 -4.162 213 H GLU 26 H GLU 26 -1.417 -7.494 -4.558 214 HA GLU 26 HA GLU 26 -2.805 -5.884 -2.529 215 1HB GLU 26 2HB GLU 26 -0.683 -4.617 -2.373 216 2HB GLU 26 1HB GLU 26 -0.494 -6.316 -1.973 217 1HG GLU 26 2HG GLU 26 0.119 -5.270 -4.717 218 2HG GLU 26 1HG GLU 26 1.302 -5.200 -3.414 219 H LEU 27 H LEU 27 -3.308 -3.767 -2.901 220 HA LEU 27 HA LEU 27 -3.197 -2.833 -5.683 221 1HB LEU 27 2HB LEU 27 -4.829 -1.757 -3.384 222 2HB LEU 27 1HB LEU 27 -4.915 -1.229 -5.048 223 HG LEU 27 HG LEU 27 -5.665 -3.997 -4.110 224 1HD1 LEU 27 1HD1 LEU 27 -7.184 -2.296 -3.213 225 2HD1 LEU 27 2HD1 LEU 27 -7.973 -3.296 -4.433 226 3HD1 LEU 27 3HD1 LEU 27 -7.434 -1.665 -4.841 227 1HD2 LEU 27 1HD2 LEU 27 -6.668 -4.185 -6.338 228 2HD2 LEU 27 2HD2 LEU 27 -4.925 -3.926 -6.423 229 3HD2 LEU 27 3HD2 LEU 27 -6.033 -2.592 -6.753 230 H VAL 28 H VAL 28 -1.317 -1.801 -5.950 231 HA VAL 28 HA VAL 28 -0.198 -0.233 -3.761 232 HB VAL 28 HB VAL 28 0.978 -0.876 -6.473 233 1HG1 VAL 28 1HG1 VAL 28 2.239 0.366 -4.031 234 2HG1 VAL 28 2HG1 VAL 28 1.907 1.175 -5.563 235 3HG1 VAL 28 3HG1 VAL 28 3.099 -0.125 -5.490 236 1HG2 VAL 28 1HG2 VAL 28 2.370 -2.470 -5.258 237 2HG2 VAL 28 2HG2 VAL 28 0.658 -2.856 -5.093 238 3HG2 VAL 28 3HG2 VAL 28 1.518 -2.080 -3.764 239 H CYS 29 H CYS 29 -0.583 1.863 -3.584 240 HA CYS 29 HA CYS 29 -1.453 3.383 -5.920 241 1HB CYS 29 2HB CYS 29 -2.701 3.692 -3.817 242 2HB CYS 29 1HB CYS 29 -1.221 4.215 -3.016 243 HG CYS 29 HG CYS 29 -2.618 6.535 -3.411 244 H ASN 30 H ASN 30 -0.009 4.433 -7.106 245 HA ASN 30 HA ASN 30 2.711 4.693 -6.183 246 1HB ASN 30 2HB ASN 30 1.347 5.368 -8.790 247 2HB ASN 30 1HB ASN 30 3.044 5.719 -8.489 248 1HD2 ASN 30 1HD2 ASN 30 0.688 3.218 -9.046 249 2HD2 ASN 30 2HD2 ASN 30 1.821 1.938 -9.337 250 H ALA 31 H ALA 31 0.087 6.490 -5.592 251 HA ALA 31 HA ALA 31 1.513 9.055 -5.721 252 1HB ALA 31 1HB ALA 31 -0.719 9.034 -6.731 253 2HB ALA 31 2HB ALA 31 -0.646 10.107 -5.335 254 3HB ALA 31 3HB ALA 31 -1.408 8.523 -5.189 255 H ASP 32 H ASP 32 -0.548 7.184 -3.510 256 HA ASP 32 HA ASP 32 0.261 8.702 -1.209 257 1HB ASP 32 2HB ASP 32 -1.269 6.099 -1.427 258 2HB ASP 32 1HB ASP 32 -1.058 7.018 0.055 259 H ARG 33 H ARG 33 1.583 6.137 -2.947 260 HA ARG 33 HA ARG 33 3.199 4.594 -2.631 261 1HB ARG 33 2HB ARG 33 3.904 6.369 -0.289 262 2HB ARG 33 1HB ARG 33 4.892 5.017 -0.833 263 1HG ARG 33 2HG ARG 33 4.782 6.241 -3.139 264 2HG ARG 33 1HG ARG 33 4.388 7.647 -2.149 265 1HD ARG 33 2HD ARG 33 6.789 5.902 -1.670 266 2HD ARG 33 1HD ARG 33 6.828 7.322 -2.709 267 HE ARG 33 HE ARG 33 5.911 7.721 0.027 268 1HH1 ARG 33 1HH1 ARG 33 8.550 7.905 -2.285 269 2HH1 ARG 33 2HH1 ARG 33 9.486 9.019 -1.326 270 1HH2 ARG 33 1HH2 ARG 33 7.160 9.197 1.303 271 2HH2 ARG 33 2HH2 ARG 33 8.685 9.772 0.680 272 H LEU 34 H LEU 34 0.628 4.109 -1.642 273 HA LEU 34 HA LEU 34 1.108 2.534 0.800 274 1HB LEU 34 2HB LEU 34 -1.324 3.919 -0.275 275 2HB LEU 34 1HB LEU 34 -1.493 2.579 0.842 276 HG LEU 34 HG LEU 34 0.126 5.041 1.475 277 1HD1 LEU 34 1HD1 LEU 34 -2.746 4.437 2.183 278 2HD1 LEU 34 2HD1 LEU 34 -2.196 5.697 1.082 279 3HD1 LEU 34 3HD1 LEU 34 -1.795 5.790 2.798 280 1HD2 LEU 34 1HD2 LEU 34 -1.064 2.905 3.237 281 2HD2 LEU 34 2HD2 LEU 34 -0.064 4.261 3.756 282 3HD2 LEU 34 3HD2 LEU 34 0.625 2.990 2.747 283 H ALA 35 H ALA 35 0.682 0.397 0.805 284 HA ALA 35 HA ALA 35 -0.346 -0.784 -1.690 285 1HB ALA 35 1HB ALA 35 1.979 -1.393 -1.212 286 2HB ALA 35 2HB ALA 35 0.913 -2.795 -1.138 287 3HB ALA 35 3HB ALA 35 1.487 -2.044 0.351 288 H PHE 36 H PHE 36 -2.430 -1.250 -1.423 289 HA PHE 36 HA PHE 36 -3.410 -2.051 1.216 290 1HB PHE 36 2HB PHE 36 -4.965 -1.405 -1.302 291 2HB PHE 36 1HB PHE 36 -5.641 -1.659 0.301 292 HD1 PHE 36 2HD PHE 36 -4.959 -0.032 2.146 293 HD2 PHE 36 1HD PHE 36 -4.311 0.716 -1.992 294 HE1 PHE 36 2HE PHE 36 -4.741 2.369 2.621 295 HE2 PHE 36 1HE PHE 36 -4.092 3.123 -1.523 296 HZ PHE 36 HZ PHE 36 -4.306 3.950 0.789 297 HA PRO 37 HA PRO 37 -3.245 -6.259 -0.384 298 1HB PRO 37 2HB PRO 37 -4.003 -7.031 2.328 299 2HB PRO 37 1HB PRO 37 -2.507 -7.371 1.453 300 1HG PRO 37 2HG PRO 37 -2.610 -5.677 3.563 301 2HG PRO 37 1HG PRO 37 -1.469 -5.467 2.224 302 1HD PRO 37 2HD PRO 37 -4.066 -4.061 2.739 303 2HD PRO 37 1HD PRO 37 -2.518 -3.398 2.164 304 H VAL 38 H VAL 38 -4.917 -7.158 -1.434 305 HA VAL 38 HA VAL 38 -7.640 -6.641 -0.612 306 HB VAL 38 HB VAL 38 -6.614 -8.434 -2.823 307 1HG1 VAL 38 1HG1 VAL 38 -8.877 -8.261 -3.735 308 2HG1 VAL 38 2HG1 VAL 38 -9.373 -7.311 -2.335 309 3HG1 VAL 38 3HG1 VAL 38 -8.890 -8.995 -2.131 310 1HG2 VAL 38 1HG2 VAL 38 -7.173 -6.572 -4.327 311 2HG2 VAL 38 2HG2 VAL 38 -5.919 -6.123 -3.169 312 3HG2 VAL 38 3HG2 VAL 38 -7.577 -5.575 -2.930 313 H ARG 39 H ARG 39 -8.457 -7.718 1.030 314 HA ARG 39 HA ARG 39 -7.553 -10.443 1.596 315 1HB ARG 39 2HB ARG 39 -7.603 -8.628 3.372 316 2HB ARG 39 1HB ARG 39 -9.355 -8.690 3.277 317 1HG ARG 39 2HG ARG 39 -9.306 -11.035 3.963 318 2HG ARG 39 1HG ARG 39 -7.545 -10.963 4.065 319 1HD ARG 39 2HD ARG 39 -7.850 -9.057 5.697 320 2HD ARG 39 1HD ARG 39 -9.561 -9.475 5.734 321 HE ARG 39 HE ARG 39 -7.863 -11.721 6.260 322 1HH1 ARG 39 1HH1 ARG 39 -9.361 -8.912 7.744 323 2HH1 ARG 39 2HH1 ARG 39 -9.284 -9.574 9.347 324 1HH2 ARG 39 1HH2 ARG 39 -7.761 -12.578 8.347 325 2HH2 ARG 39 2HH2 ARG 39 -8.395 -11.672 9.688 326 H ASP 40 H ASP 40 -8.695 -11.237 -0.273 327 HA ASP 40 HA ASP 40 -10.416 -12.126 -1.441 328 1HB ASP 40 2HB ASP 40 -11.208 -12.675 1.399 329 2HB ASP 40 1HB ASP 40 -12.261 -13.161 0.075 330 H GLY 41 H GLY 41 -10.882 -9.984 -2.279 331 1HA GLY 41 2HA GLY 41 -12.703 -8.832 -3.193 332 2HA GLY 41 1HA GLY 41 -13.707 -9.431 -1.881 333 H VAL 42 H VAL 42 -12.068 -8.576 0.281 334 HA VAL 42 HA VAL 42 -12.675 -5.702 0.128 335 HB VAL 42 HB VAL 42 -12.317 -7.416 2.598 336 1HG1 VAL 42 1HG1 VAL 42 -13.271 -4.573 2.282 337 2HG1 VAL 42 2HG1 VAL 42 -11.774 -5.106 3.044 338 3HG1 VAL 42 3HG1 VAL 42 -13.328 -5.501 3.779 339 1HG2 VAL 42 1HG2 VAL 42 -14.298 -8.070 1.350 340 2HG2 VAL 42 2HG2 VAL 42 -14.844 -6.394 1.316 341 3HG2 VAL 42 3HG2 VAL 42 -14.743 -7.256 2.851 342 HA PRO 43 HA PRO 43 -8.188 -5.234 0.338 343 1HB PRO 43 2HB PRO 43 -8.682 -2.446 -0.294 344 2HB PRO 43 1HB PRO 43 -7.892 -3.680 -1.278 345 1HG PRO 43 2HG PRO 43 -10.314 -2.596 -1.898 346 2HG PRO 43 1HG PRO 43 -9.824 -4.234 -2.366 347 1HD PRO 43 2HD PRO 43 -11.573 -3.352 -0.095 348 2HD PRO 43 1HD PRO 43 -11.774 -4.732 -1.199 349 H ILE 44 H ILE 44 -6.959 -4.602 2.019 350 HA ILE 44 HA ILE 44 -8.210 -3.380 4.295 351 HB ILE 44 HB ILE 44 -5.281 -4.005 3.887 352 1HG1 ILE 44 2HG1 ILE 44 -6.633 -6.033 3.619 353 2HG1 ILE 44 1HG1 ILE 44 -5.729 -6.089 5.129 354 1HG2 ILE 44 1HG2 ILE 44 -6.877 -3.533 6.401 355 2HG2 ILE 44 2HG2 ILE 44 -5.682 -2.441 5.702 356 3HG2 ILE 44 3HG2 ILE 44 -5.177 -4.007 6.340 357 1HD1 ILE 44 1HD1 ILE 44 -7.739 -5.433 6.345 358 2HD1 ILE 44 2HD1 ILE 44 -7.975 -6.923 5.433 359 3HD1 ILE 44 3HD1 ILE 44 -8.644 -5.404 4.831 360 H MET 45 H MET 45 -8.792 -1.319 3.727 361 HA MET 45 HA MET 45 -6.853 0.477 2.527 362 1HB MET 45 2HB MET 45 -9.694 1.021 3.401 363 2HB MET 45 1HB MET 45 -8.698 2.050 2.384 364 1HG MET 45 2HG MET 45 -9.633 -0.718 1.661 365 2HG MET 45 1HG MET 45 -10.368 0.787 1.114 366 1HE MET 45 1HE MET 45 -7.611 2.303 -1.189 367 2HE MET 45 2HE MET 45 -7.837 2.646 0.527 368 3HE MET 45 3HE MET 45 -9.239 2.483 -0.528 369 H LEU 46 H LEU 46 -6.995 -0.565 5.491 370 HA LEU 46 HA LEU 46 -7.035 1.970 6.919 371 1HB LEU 46 2HB LEU 46 -6.516 -0.843 7.891 372 2HB LEU 46 1HB LEU 46 -6.615 0.572 8.919 373 HG LEU 46 HG LEU 46 -8.878 -0.540 7.251 374 1HD1 LEU 46 1HD1 LEU 46 -8.294 -1.975 9.148 375 2HD1 LEU 46 2HD1 LEU 46 -9.855 -1.192 9.383 376 3HD1 LEU 46 3HD1 LEU 46 -8.433 -0.594 10.234 377 1HD2 LEU 46 1HD2 LEU 46 -9.040 1.874 7.492 378 2HD2 LEU 46 2HD2 LEU 46 -8.817 1.732 9.236 379 3HD2 LEU 46 3HD2 LEU 46 -10.266 1.070 8.475 380 H GLU 47 H GLU 47 -5.284 3.168 7.146 381 HA GLU 47 HA GLU 47 -2.772 2.506 6.095 382 1HB GLU 47 2HB GLU 47 -3.485 4.616 8.139 383 2HB GLU 47 1HB GLU 47 -1.964 4.535 7.264 384 1HG GLU 47 2HG GLU 47 -3.127 4.884 5.167 385 2HG GLU 47 1HG GLU 47 -4.674 4.915 6.010 386 H ALA 48 H ALA 48 -4.141 2.062 9.255 387 HA ALA 48 HA ALA 48 -1.762 1.673 10.715 388 1HB ALA 48 1HB ALA 48 -3.910 2.144 11.772 389 2HB ALA 48 2HB ALA 48 -3.186 0.675 12.422 390 3HB ALA 48 3HB ALA 48 -4.512 0.566 11.263 391 H GLU 49 H GLU 49 -3.443 -0.382 8.498 392 HA GLU 49 HA GLU 49 -1.802 -2.660 9.391 393 1HB GLU 49 2HB GLU 49 -4.396 -2.702 7.851 394 2HB GLU 49 1HB GLU 49 -3.438 -4.118 8.253 395 1HG GLU 49 2HG GLU 49 -3.735 -3.305 10.700 396 2HG GLU 49 1HG GLU 49 -5.077 -2.376 10.030 397 H ALA 50 H ALA 50 -2.791 -0.717 6.648 398 HA ALA 50 HA ALA 50 -1.517 -2.271 4.655 399 1HB ALA 50 1HB ALA 50 -1.802 -0.312 3.219 400 2HB ALA 50 2HB ALA 50 -2.210 0.669 4.625 401 3HB ALA 50 3HB ALA 50 -3.272 -0.648 4.133 402 H ARG 51 H ARG 51 0.536 -2.296 3.954 403 HA ARG 51 HA ARG 51 2.484 -0.858 5.549 404 1HB ARG 51 2HB ARG 51 2.921 -3.206 5.204 405 2HB ARG 51 1HB ARG 51 2.796 -3.023 3.460 406 1HG ARG 51 2HG ARG 51 4.837 -1.910 3.313 407 2HG ARG 51 1HG ARG 51 4.859 -1.534 5.035 408 1HD ARG 51 2HD ARG 51 6.439 -3.337 4.335 409 2HD ARG 51 1HD ARG 51 5.306 -3.795 5.606 410 HE ARG 51 HE ARG 51 3.991 -4.863 3.731 411 1HH1 ARG 51 1HH1 ARG 51 7.443 -4.373 3.445 412 2HH1 ARG 51 2HH1 ARG 51 7.703 -5.843 2.543 413 1HH2 ARG 51 1HH2 ARG 51 4.310 -6.765 2.532 414 2HH2 ARG 51 2HH2 ARG 51 5.915 -7.211 2.020 415 H SER 52 H SER 52 3.092 1.086 4.965 416 HA SER 52 HA SER 52 2.798 1.948 2.221 417 1HB SER 52 2HB SER 52 2.042 3.514 3.813 418 2HB SER 52 1HB SER 52 3.526 3.407 4.745 419 HG SER 52 HG SER 52 2.994 5.185 2.981 420 H LEU 53 H LEU 53 4.400 2.813 0.984 421 HA LEU 53 HA LEU 53 7.015 1.609 1.326 422 1HB LEU 53 2HB LEU 53 6.013 3.505 -0.802 423 2HB LEU 53 1HB LEU 53 7.516 2.606 -0.857 424 HG LEU 53 HG LEU 53 4.756 1.380 -0.880 425 1HD1 LEU 53 1HD1 LEU 53 5.238 2.597 -2.938 426 2HD1 LEU 53 2HD1 LEU 53 5.232 0.855 -3.217 427 3HD1 LEU 53 3HD1 LEU 53 6.762 1.725 -3.106 428 1HD2 LEU 53 1HD2 LEU 53 5.904 -0.701 -1.383 429 2HD2 LEU 53 2HD2 LEU 53 6.465 -0.050 0.160 430 3HD2 LEU 53 3HD2 LEU 53 7.464 0.113 -1.284 431 H ASP 54 H ASP 54 5.431 4.481 2.083 432 HA ASP 54 HA ASP 54 7.683 6.250 2.149 433 1HB ASP 54 2HB ASP 54 5.397 7.098 1.921 434 2HB ASP 54 1HB ASP 54 4.961 6.402 3.475 435 H ALA 55 H ALA 55 6.432 3.778 4.135 436 HA ALA 55 HA ALA 55 8.128 4.638 6.386 437 1HB ALA 55 1HB ALA 55 5.639 2.935 6.503 438 2HB ALA 55 2HB ALA 55 5.721 4.646 6.918 439 3HB ALA 55 3HB ALA 55 6.610 3.461 7.880 440 H GLU 56 H GLU 56 8.556 2.819 3.906 441 HA GLU 56 HA GLU 56 9.155 0.285 5.197 442 1HB GLU 56 2HB GLU 56 9.166 1.250 2.375 443 2HB GLU 56 1HB GLU 56 10.167 -0.134 2.793 444 1HG GLU 56 2HG GLU 56 7.198 0.087 3.234 445 2HG GLU 56 1HG GLU 56 7.989 -0.810 1.938 446 H ALA 57 H ALA 57 11.020 -0.214 6.047 447 HA ALA 57 HA ALA 57 13.200 1.627 6.069 448 1HB ALA 57 1HB ALA 57 12.692 0.222 8.019 449 2HB ALA 57 2HB ALA 57 14.335 -0.072 7.440 450 3HB ALA 57 3HB ALA 57 13.050 -1.222 7.070 451 HA PRO 58 HA PRO 58 15.496 0.134 2.591 452 1HB PRO 58 2HB PRO 58 18.048 0.591 3.423 453 2HB PRO 58 1HB PRO 58 16.959 1.877 2.892 454 1HG PRO 58 2HG PRO 58 17.650 1.007 5.670 455 2HG PRO 58 1HG PRO 58 17.475 2.649 5.021 456 1HD PRO 58 2HD PRO 58 15.529 1.446 6.468 457 2HD PRO 58 1HD PRO 58 15.175 2.600 5.167 458 H ALA 59 H ALA 59 17.431 -1.335 2.087 459 HA ALA 59 HA ALA 59 17.112 -3.748 3.718 460 1HB ALA 59 1HB ALA 59 18.081 -4.930 1.803 461 2HB ALA 59 2HB ALA 59 18.335 -3.391 0.978 462 3HB ALA 59 3HB ALA 59 16.699 -3.951 1.315 463 H GLN 60 H GLN 60 19.075 -1.187 3.731 464 HA GLN 60 HA GLN 60 21.636 -2.522 3.946 465 1HB GLN 60 2HB GLN 60 22.561 -0.328 4.301 466 2HB GLN 60 1HB GLN 60 21.397 -0.224 2.986 467 1HG GLN 60 2HG GLN 60 19.761 0.769 4.432 468 2HG GLN 60 1HG GLN 60 20.797 0.522 5.838 469 1HE2 GLN 60 1HE2 GLN 60 22.634 1.796 6.090 470 2HE2 GLN 60 2HE2 GLN 60 22.837 3.299 5.248 471 HA PRO 61 HA PRO 61 21.559 -3.039 8.380 472 1HB PRO 61 2HB PRO 61 24.424 -2.425 8.440 473 2HB PRO 61 1HB PRO 61 23.605 -3.950 8.792 474 1HG PRO 61 2HG PRO 61 25.121 -3.612 6.588 475 2HG PRO 61 1HG PRO 61 23.684 -4.650 6.594 476 1HD PRO 61 2HD PRO 61 24.001 -1.855 5.565 477 2HD PRO 61 1HD PRO 61 23.144 -3.231 4.838 478 H SER 62 H SER 62 22.171 -1.871 10.405 479 HA SER 62 HA SER 62 21.706 0.950 10.046 480 1HB SER 62 2HB SER 62 21.790 0.929 12.601 481 2HB SER 62 1HB SER 62 20.519 -0.042 11.854 482 HG SER 62 HG SER 62 21.337 -1.603 13.002 483 H LEU 63 H LEU 63 23.130 2.602 10.378 484 HA LEU 63 HA LEU 63 25.916 1.927 10.212 485 1HB LEU 63 2HB LEU 63 24.576 4.625 10.398 486 2HB LEU 63 1HB LEU 63 26.267 4.356 10.022 487 HG LEU 63 HG LEU 63 23.937 3.469 8.325 488 1HD1 LEU 63 1HD1 LEU 63 24.712 5.184 6.762 489 2HD1 LEU 63 2HD1 LEU 63 25.926 5.697 7.934 490 3HD1 LEU 63 3HD1 LEU 63 24.212 5.880 8.304 491 1HD2 LEU 63 1HD2 LEU 63 25.838 1.957 8.134 492 2HD2 LEU 63 2HD2 LEU 63 26.908 3.322 7.820 493 3HD2 LEU 63 3HD2 LEU 63 25.644 2.910 6.662 494 H GLU 64 H GLU 64 23.705 2.917 12.616 495 HA GLU 64 HA GLU 64 25.843 3.436 14.546 496 1HB GLU 64 2HB GLU 64 22.853 3.832 14.745 497 2HB GLU 64 1HB GLU 64 23.983 4.126 16.060 498 1HG GLU 64 2HG GLU 64 25.098 5.826 14.701 499 2HG GLU 64 1HG GLU 64 23.926 5.546 13.412 500 H HIS 65 H HIS 65 26.588 1.373 14.945 501 HA HIS 65 HA HIS 65 24.677 -0.573 15.953 502 1HB HIS 65 2HB HIS 65 27.612 -0.747 15.304 503 2HB HIS 65 1HB HIS 65 26.786 -2.019 16.205 504 HD1 HIS 65 1HD HIS 65 28.001 -1.980 13.116 505 HD2 HIS 65 2HD HIS 65 24.040 -2.129 14.395 506 HE1 HIS 65 1HE HIS 65 26.699 -2.974 11.204 507 HE2 HIS 65 2HE HIS 65 24.289 -2.917 11.945 508 H HIS 66 H HIS 66 24.061 0.727 17.690 509 HA HIS 66 HA HIS 66 25.922 1.321 19.811 510 1HB HIS 66 2HB HIS 66 23.820 2.665 19.170 511 2HB HIS 66 1HB HIS 66 22.901 1.393 19.963 512 HD1 HIS 66 1HD HIS 66 24.498 4.558 20.590 513 HD2 HIS 66 2HD HIS 66 23.667 1.146 22.828 514 HE1 HIS 66 1HE HIS 66 24.634 5.274 23.001 515 HE2 HIS 66 2HE HIS 66 23.916 3.251 24.319 516 H HIS 67 H HIS 67 26.727 -0.777 20.219 517 HA HIS 67 HA HIS 67 25.096 -3.022 20.640 518 1HB HIS 67 2HB HIS 67 27.138 -4.082 21.612 519 2HB HIS 67 1HB HIS 67 27.385 -3.370 20.025 520 HD1 HIS 67 1HD HIS 67 29.034 -1.404 19.850 521 HD2 HIS 67 2HD HIS 67 28.532 -2.838 23.717 522 HE1 HIS 67 1HE HIS 67 30.880 -0.365 21.201 523 HE2 HIS 67 2HE HIS 67 30.676 -1.421 23.480 524 H HIS 68 H HIS 68 23.658 -3.247 22.159 525 HA HIS 68 HA HIS 68 23.938 -1.891 24.689 526 1HB HIS 68 2HB HIS 68 21.732 -2.766 25.246 527 2HB HIS 68 1HB HIS 68 21.712 -2.088 23.626 528 HD1 HIS 68 1HD HIS 68 20.577 -4.922 25.470 529 HD2 HIS 68 2HD HIS 68 21.993 -4.318 21.608 530 HE1 HIS 68 1HE HIS 68 19.777 -6.895 24.141 531 HE2 HIS 68 2HE HIS 68 20.887 -6.640 21.892 532 H HIS 69 H HIS 69 25.631 -2.696 25.773 533 HA HIS 69 HA HIS 69 25.214 -5.081 27.261 534 1HB HIS 69 2HB HIS 69 26.082 -6.041 25.114 535 2HB HIS 69 1HB HIS 69 27.564 -5.120 25.355 536 HD1 HIS 69 1HD HIS 69 29.113 -5.876 27.341 537 HD2 HIS 69 2HD HIS 69 25.865 -8.361 26.599 538 HE1 HIS 69 1HE HIS 69 29.572 -7.991 28.623 539 HE2 HIS 69 2HE HIS 69 27.491 -9.383 28.329 540 H HIS 70 H HIS 70 25.657 -4.111 29.137 541 HA HIS 70 HA HIS 70 28.274 -2.794 29.406 542 1HB HIS 70 2HB HIS 70 26.389 -1.243 29.760 543 2HB HIS 70 1HB HIS 70 25.748 -2.305 31.009 544 HD1 HIS 70 1HD HIS 70 25.937 -0.456 32.800 545 HD2 HIS 70 2HD HIS 70 29.560 -1.482 31.025 546 HE1 HIS 70 1HE HIS 70 27.720 0.603 34.229 547 HE2 HIS 70 2HE HIS 70 29.908 -0.054 33.158 Start of MODEL 19 1 1H MET 1 1H MET 1 -22.961 -0.424 -18.290 2 2H MET 1 2H MET 1 -23.388 -0.695 -16.678 3 3H MET 1 3H MET 1 -21.894 0.017 -17.049 4 HA MET 1 HA MET 1 -24.585 1.178 -17.441 5 1HB MET 1 2HB MET 1 -23.696 1.236 -15.132 6 2HB MET 1 1HB MET 1 -22.255 2.060 -15.718 7 1HG MET 1 2HG MET 1 -23.782 3.629 -14.711 8 2HG MET 1 1HG MET 1 -23.625 3.948 -16.435 9 1HE MET 1 1HE MET 1 -25.799 5.504 -16.207 10 2HE MET 1 2HE MET 1 -25.938 5.082 -14.501 11 3HE MET 1 3HE MET 1 -27.341 4.941 -15.558 12 H GLU 2 H GLU 2 -21.158 2.163 -17.451 13 HA GLU 2 HA GLU 2 -21.207 2.960 -20.175 14 1HB GLU 2 2HB GLU 2 -20.820 5.385 -19.806 15 2HB GLU 2 1HB GLU 2 -22.449 4.864 -19.412 16 1HG GLU 2 2HG GLU 2 -21.922 4.909 -17.048 17 2HG GLU 2 1HG GLU 2 -20.250 5.341 -17.413 18 H SER 3 H SER 3 -19.656 3.266 -17.011 19 HA SER 3 HA SER 3 -17.015 3.513 -18.037 20 1HB SER 3 2HB SER 3 -17.821 2.353 -15.359 21 2HB SER 3 1HB SER 3 -16.301 3.147 -15.777 22 HG SER 3 HG SER 3 -17.202 4.959 -15.259 23 H ARG 4 H ARG 4 -16.239 1.989 -19.361 24 HA ARG 4 HA ARG 4 -17.344 -0.676 -19.252 25 1HB ARG 4 2HB ARG 4 -15.457 0.664 -21.182 26 2HB ARG 4 1HB ARG 4 -16.001 -1.002 -21.349 27 1HG ARG 4 2HG ARG 4 -18.240 -0.350 -21.681 28 2HG ARG 4 1HG ARG 4 -17.922 1.298 -21.142 29 1HD ARG 4 2HD ARG 4 -18.172 1.233 -23.546 30 2HD ARG 4 1HD ARG 4 -16.517 1.657 -23.118 31 HE ARG 4 HE ARG 4 -16.110 -0.854 -23.533 32 1HH1 ARG 4 1HH1 ARG 4 -18.469 1.084 -25.229 33 2HH1 ARG 4 2HH1 ARG 4 -18.295 0.228 -26.730 34 1HH2 ARG 4 1HH2 ARG 4 -15.860 -1.998 -25.509 35 2HH2 ARG 4 2HH2 ARG 4 -16.816 -1.528 -26.883 36 H LEU 5 H LEU 5 -16.241 -0.806 -17.052 37 HA LEU 5 HA LEU 5 -14.890 -2.042 -15.734 38 1HB LEU 5 2HB LEU 5 -14.438 -3.323 -18.394 39 2HB LEU 5 1HB LEU 5 -13.465 -3.821 -17.025 40 HG LEU 5 HG LEU 5 -15.571 -4.380 -15.796 41 1HD1 LEU 5 1HD1 LEU 5 -16.864 -3.840 -18.463 42 2HD1 LEU 5 2HD1 LEU 5 -17.136 -2.953 -16.964 43 3HD1 LEU 5 3HD1 LEU 5 -17.638 -4.637 -17.096 44 1HD2 LEU 5 1HD2 LEU 5 -15.990 -6.448 -17.001 45 2HD2 LEU 5 2HD2 LEU 5 -14.263 -6.087 -16.950 46 3HD2 LEU 5 3HD2 LEU 5 -15.183 -5.794 -18.428 47 H LEU 6 H LEU 6 -13.816 0.431 -17.224 48 HA LEU 6 HA LEU 6 -10.958 -0.047 -16.960 49 1HB LEU 6 2HB LEU 6 -12.516 2.416 -17.741 50 2HB LEU 6 1HB LEU 6 -10.766 2.340 -17.663 51 HG LEU 6 HG LEU 6 -12.533 0.756 -19.529 52 1HD1 LEU 6 1HD1 LEU 6 -11.474 2.101 -21.272 53 2HD1 LEU 6 2HD1 LEU 6 -10.606 3.014 -20.036 54 3HD1 LEU 6 3HD1 LEU 6 -12.365 3.105 -20.126 55 1HD2 LEU 6 1HD2 LEU 6 -10.600 -0.559 -18.907 56 2HD2 LEU 6 2HD2 LEU 6 -9.532 0.804 -19.239 57 3HD2 LEU 6 3HD2 LEU 6 -10.411 0.033 -20.559 58 H ASP 7 H ASP 7 -13.476 0.642 -14.972 59 HA ASP 7 HA ASP 7 -11.738 2.008 -13.036 60 1HB ASP 7 2HB ASP 7 -14.713 2.449 -13.382 61 2HB ASP 7 1HB ASP 7 -13.696 3.202 -12.162 62 H ILE 8 H ILE 8 -11.233 -0.065 -12.155 63 HA ILE 8 HA ILE 8 -13.339 -1.608 -10.931 64 HB ILE 8 HB ILE 8 -11.478 -2.860 -9.832 65 1HG1 ILE 8 2HG1 ILE 8 -9.689 -1.058 -11.483 66 2HG1 ILE 8 1HG1 ILE 8 -9.860 -0.982 -9.733 67 1HG2 ILE 8 1HG2 ILE 8 -11.257 -2.545 -12.823 68 2HG2 ILE 8 2HG2 ILE 8 -12.382 -3.599 -11.963 69 3HG2 ILE 8 3HG2 ILE 8 -10.647 -3.909 -11.887 70 1HD1 ILE 8 1HD1 ILE 8 -7.834 -2.152 -10.381 71 2HD1 ILE 8 2HD1 ILE 8 -8.786 -3.316 -11.299 72 3HD1 ILE 8 3HD1 ILE 8 -8.947 -3.235 -9.546 73 H LEU 9 H LEU 9 -10.890 0.678 -9.942 74 HA LEU 9 HA LEU 9 -12.487 1.893 -7.986 75 1HB LEU 9 2HB LEU 9 -11.550 -0.392 -6.938 76 2HB LEU 9 1HB LEU 9 -10.132 0.604 -6.685 77 HG LEU 9 HG LEU 9 -12.874 1.351 -5.665 78 1HD1 LEU 9 1HD1 LEU 9 -12.121 0.575 -3.487 79 2HD1 LEU 9 2HD1 LEU 9 -10.615 -0.002 -4.201 80 3HD1 LEU 9 3HD1 LEU 9 -12.147 -0.750 -4.653 81 1HD2 LEU 9 1HD2 LEU 9 -11.588 2.857 -4.200 82 2HD2 LEU 9 2HD2 LEU 9 -11.358 3.231 -5.908 83 3HD2 LEU 9 3HD2 LEU 9 -10.106 2.363 -5.018 84 H VAL 10 H VAL 10 -11.754 3.935 -7.994 85 HA VAL 10 HA VAL 10 -9.074 4.365 -9.115 86 HB VAL 10 HB VAL 10 -9.916 6.571 -9.871 87 1HG1 VAL 10 1HG1 VAL 10 -9.871 4.715 -11.419 88 2HG1 VAL 10 2HG1 VAL 10 -11.296 5.710 -11.717 89 3HG1 VAL 10 3HG1 VAL 10 -11.455 4.178 -10.860 90 1HG2 VAL 10 1HG2 VAL 10 -11.711 6.876 -8.255 91 2HG2 VAL 10 2HG2 VAL 10 -12.596 5.530 -8.970 92 3HG2 VAL 10 3HG2 VAL 10 -12.327 7.000 -9.905 93 H CYS 11 H CYS 11 -7.785 6.038 -8.342 94 HA CYS 11 HA CYS 11 -7.739 6.565 -5.606 95 1HB CYS 11 2HB CYS 11 -5.765 6.875 -6.980 96 2HB CYS 11 1HB CYS 11 -6.567 8.140 -7.909 97 HG CYS 11 HG CYS 11 -4.525 8.673 -5.626 98 HA PRO 12 HA PRO 12 -11.198 9.342 -5.393 99 1HB PRO 12 2HB PRO 12 -11.018 9.926 -2.753 100 2HB PRO 12 1HB PRO 12 -11.615 8.373 -3.350 101 1HG PRO 12 2HG PRO 12 -8.898 9.086 -2.313 102 2HG PRO 12 1HG PRO 12 -9.879 7.646 -1.984 103 1HD PRO 12 2HD PRO 12 -7.836 7.656 -3.767 104 2HD PRO 12 1HD PRO 12 -9.270 6.627 -3.954 105 H VAL 13 H VAL 13 -7.991 10.237 -5.253 106 HA VAL 13 HA VAL 13 -8.608 13.029 -4.597 107 HB VAL 13 HB VAL 13 -5.889 11.771 -4.990 108 1HG1 VAL 13 1HG1 VAL 13 -5.076 13.812 -3.871 109 2HG1 VAL 13 2HG1 VAL 13 -6.721 14.447 -3.865 110 3HG1 VAL 13 3HG1 VAL 13 -5.891 14.164 -5.395 111 1HG2 VAL 13 1HG2 VAL 13 -7.027 10.793 -3.060 112 2HG2 VAL 13 2HG2 VAL 13 -7.348 12.408 -2.424 113 3HG2 VAL 13 3HG2 VAL 13 -5.688 11.826 -2.554 114 H CYS 14 H CYS 14 -6.452 11.390 -6.939 115 HA CYS 14 HA CYS 14 -6.916 13.636 -8.763 116 1HB CYS 14 2HB CYS 14 -4.772 11.505 -8.808 117 2HB CYS 14 1HB CYS 14 -4.871 12.887 -9.895 118 HG CYS 14 HG CYS 14 -3.183 14.156 -8.436 119 H LYS 15 H LYS 15 -8.381 10.832 -8.306 120 HA LYS 15 HA LYS 15 -9.454 9.260 -9.540 121 1HB LYS 15 2HB LYS 15 -9.448 11.531 -11.533 122 2HB LYS 15 1HB LYS 15 -10.406 10.066 -11.707 123 1HG LYS 15 2HG LYS 15 -10.616 11.911 -9.343 124 2HG LYS 15 1HG LYS 15 -11.627 12.041 -10.778 125 1HD LYS 15 2HD LYS 15 -11.405 9.520 -9.150 126 2HD LYS 15 1HD LYS 15 -12.619 10.761 -8.836 127 1HE LYS 15 2HE LYS 15 -12.270 9.429 -11.514 128 2HE LYS 15 1HE LYS 15 -13.363 8.821 -10.272 129 1HZ LYS 15 1HZ LYS 15 -14.477 10.250 -11.914 130 2HZ LYS 15 2HZ LYS 15 -13.494 11.550 -11.442 131 3HZ LYS 15 3HZ LYS 15 -14.585 10.867 -10.337 132 H GLY 16 H GLY 16 -7.571 7.940 -9.557 133 1HA GLY 16 2HA GLY 16 -6.494 7.574 -12.263 134 2HA GLY 16 1HA GLY 16 -5.386 7.696 -10.901 135 H ARG 17 H ARG 17 -5.257 5.483 -12.408 136 HA ARG 17 HA ARG 17 -7.018 3.386 -11.577 137 1HB ARG 17 2HB ARG 17 -4.319 3.069 -12.894 138 2HB ARG 17 1HB ARG 17 -5.683 1.960 -12.952 139 1HG ARG 17 2HG ARG 17 -6.932 3.463 -14.331 140 2HG ARG 17 1HG ARG 17 -5.711 4.724 -14.146 141 1HD ARG 17 2HD ARG 17 -4.086 3.062 -15.195 142 2HD ARG 17 1HD ARG 17 -5.513 2.126 -15.640 143 HE ARG 17 HE ARG 17 -6.238 4.011 -16.991 144 1HH1 ARG 17 1HH1 ARG 17 -2.931 4.069 -15.837 145 2HH1 ARG 17 2HH1 ARG 17 -2.370 5.137 -17.093 146 1HH2 ARG 17 1HH2 ARG 17 -5.514 5.454 -18.635 147 2HH2 ARG 17 2HH2 ARG 17 -3.848 5.943 -18.660 148 H LEU 18 H LEU 18 -6.698 1.802 -10.069 149 HA LEU 18 HA LEU 18 -4.310 2.062 -8.366 150 1HB LEU 18 2HB LEU 18 -6.999 0.850 -7.712 151 2HB LEU 18 1HB LEU 18 -5.634 0.933 -6.615 152 HG LEU 18 HG LEU 18 -7.208 3.260 -7.709 153 1HD1 LEU 18 1HD1 LEU 18 -6.939 2.155 -4.920 154 2HD1 LEU 18 2HD1 LEU 18 -8.356 2.023 -5.965 155 3HD1 LEU 18 3HD1 LEU 18 -7.838 3.604 -5.379 156 1HD2 LEU 18 1HD2 LEU 18 -4.836 3.825 -7.515 157 2HD2 LEU 18 2HD2 LEU 18 -4.843 3.276 -5.838 158 3HD2 LEU 18 3HD2 LEU 18 -5.807 4.676 -6.314 159 H GLU 19 H GLU 19 -3.418 0.048 -7.487 160 HA GLU 19 HA GLU 19 -3.672 -2.121 -9.458 161 1HB GLU 19 2HB GLU 19 -1.248 -1.135 -7.962 162 2HB GLU 19 1HB GLU 19 -1.284 -2.628 -8.883 163 1HG GLU 19 2HG GLU 19 -1.817 0.100 -10.015 164 2HG GLU 19 1HG GLU 19 -0.275 -0.748 -10.107 165 H PHE 20 H PHE 20 -4.715 -3.758 -8.593 166 HA PHE 20 HA PHE 20 -4.668 -4.269 -5.752 167 1HB PHE 20 2HB PHE 20 -6.745 -4.643 -6.984 168 2HB PHE 20 1HB PHE 20 -5.946 -5.824 -8.016 169 HD1 PHE 20 1HD PHE 20 -6.680 -5.164 -4.421 170 HD2 PHE 20 2HD PHE 20 -6.096 -8.061 -7.482 171 HE1 PHE 20 1HE PHE 20 -7.289 -6.946 -2.842 172 HE2 PHE 20 2HE PHE 20 -6.707 -9.852 -5.907 173 HZ PHE 20 HZ PHE 20 -7.303 -9.294 -3.583 174 H GLN 21 H GLN 21 -2.885 -5.140 -4.921 175 HA GLN 21 HA GLN 21 -1.412 -7.119 -6.487 176 1HB GLN 21 2HB GLN 21 -0.655 -5.670 -3.941 177 2HB GLN 21 1HB GLN 21 0.366 -6.789 -4.828 178 1HG GLN 21 2HG GLN 21 -0.683 -4.195 -5.902 179 2HG GLN 21 1HG GLN 21 0.945 -4.471 -5.283 180 1HE2 GLN 21 1HE2 GLN 21 0.013 -3.672 -7.932 181 2HE2 GLN 21 2HE2 GLN 21 0.647 -4.841 -9.032 182 H ARG 22 H ARG 22 -0.759 -9.108 -5.535 183 HA ARG 22 HA ARG 22 -2.785 -10.088 -3.643 184 1HB ARG 22 2HB ARG 22 -1.078 -11.637 -5.609 185 2HB ARG 22 1HB ARG 22 -2.343 -12.312 -4.590 186 1HG ARG 22 2HG ARG 22 -4.023 -11.038 -5.758 187 2HG ARG 22 1HG ARG 22 -2.784 -10.229 -6.719 188 1HD ARG 22 2HD ARG 22 -2.133 -12.434 -7.645 189 2HD ARG 22 1HD ARG 22 -3.467 -13.166 -6.752 190 HE ARG 22 HE ARG 22 -4.539 -11.100 -8.272 191 1HH1 ARG 22 1HH1 ARG 22 -2.877 -14.127 -8.849 192 2HH1 ARG 22 2HH1 ARG 22 -3.666 -14.422 -10.367 193 1HH2 ARG 22 1HH2 ARG 22 -5.600 -11.498 -10.265 194 2HH2 ARG 22 2HH2 ARG 22 -5.220 -12.939 -11.168 195 H ALA 23 H ALA 23 -0.167 -8.735 -3.042 196 HA ALA 23 HA ALA 23 1.533 -10.636 -1.818 197 1HB ALA 23 1HB ALA 23 1.096 -7.754 -1.028 198 2HB ALA 23 2HB ALA 23 2.214 -8.306 -2.272 199 3HB ALA 23 3HB ALA 23 2.476 -8.760 -0.590 200 H GLN 24 H GLN 24 -0.832 -8.403 -0.363 201 HA GLN 24 HA GLN 24 -1.654 -10.618 1.389 202 1HB GLN 24 2HB GLN 24 -1.515 -7.672 2.026 203 2HB GLN 24 1HB GLN 24 -2.467 -8.801 2.978 204 1HG GLN 24 2HG GLN 24 -0.584 -8.851 4.215 205 2HG GLN 24 1HG GLN 24 -0.141 -10.089 3.046 206 1HE2 GLN 24 1HE2 GLN 24 0.426 -6.877 4.168 207 2HE2 GLN 24 2HE2 GLN 24 1.855 -6.579 3.245 208 H ALA 25 H ALA 25 -2.697 -7.539 -0.030 209 HA ALA 25 HA ALA 25 -4.851 -8.163 -1.508 210 1HB ALA 25 1HB ALA 25 -6.841 -8.039 -0.104 211 2HB ALA 25 2HB ALA 25 -5.839 -7.902 1.340 212 3HB ALA 25 3HB ALA 25 -5.828 -9.392 0.396 213 H GLU 26 H GLU 26 -3.068 -6.096 -1.449 214 HA GLU 26 HA GLU 26 -4.629 -3.793 -0.483 215 1HB GLU 26 2HB GLU 26 -2.424 -2.573 -0.425 216 2HB GLU 26 1HB GLU 26 -2.622 -3.851 0.765 217 1HG GLU 26 2HG GLU 26 -1.268 -4.432 -1.829 218 2HG GLU 26 1HG GLU 26 -0.394 -3.608 -0.539 219 H LEU 27 H LEU 27 -4.751 -1.926 -1.683 220 HA LEU 27 HA LEU 27 -4.268 -2.210 -4.559 221 1HB LEU 27 2HB LEU 27 -5.762 -0.047 -3.072 222 2HB LEU 27 1HB LEU 27 -5.730 -0.280 -4.804 223 HG LEU 27 HG LEU 27 -6.909 -2.275 -2.872 224 1HD1 LEU 27 1HD1 LEU 27 -8.146 -0.164 -2.809 225 2HD1 LEU 27 2HD1 LEU 27 -9.084 -1.447 -3.576 226 3HD1 LEU 27 3HD1 LEU 27 -8.308 -0.210 -4.566 227 1HD2 LEU 27 1HD2 LEU 27 -7.943 -3.199 -4.890 228 2HD2 LEU 27 2HD2 LEU 27 -6.184 -3.240 -4.985 229 3HD2 LEU 27 3HD2 LEU 27 -7.085 -2.012 -5.871 230 H VAL 28 H VAL 28 -2.214 -1.648 -5.010 231 HA VAL 28 HA VAL 28 -0.847 0.407 -3.531 232 HB VAL 28 HB VAL 28 0.044 -1.137 -5.973 233 1HG1 VAL 28 1HG1 VAL 28 2.310 -0.405 -5.352 234 2HG1 VAL 28 2HG1 VAL 28 1.625 0.597 -4.073 235 3HG1 VAL 28 3HG1 VAL 28 1.267 0.959 -5.761 236 1HG2 VAL 28 1HG2 VAL 28 -0.369 -2.572 -4.043 237 2HG2 VAL 28 2HG2 VAL 28 0.667 -1.547 -3.050 238 3HG2 VAL 28 3HG2 VAL 28 1.356 -2.458 -4.392 239 H CYS 29 H CYS 29 -0.548 2.448 -4.058 240 HA CYS 29 HA CYS 29 -1.634 3.432 -6.608 241 1HB CYS 29 2HB CYS 29 -0.956 5.056 -4.150 242 2HB CYS 29 1HB CYS 29 -1.917 5.557 -5.539 243 HG CYS 29 HG CYS 29 -3.168 2.875 -4.006 244 H ASN 30 H ASN 30 -0.088 3.658 -8.109 245 HA ASN 30 HA ASN 30 2.686 3.823 -7.366 246 1HB ASN 30 2HB ASN 30 1.330 3.909 -10.065 247 2HB ASN 30 1HB ASN 30 3.075 3.889 -9.833 248 1HD2 ASN 30 1HD2 ASN 30 0.130 2.045 -9.630 249 2HD2 ASN 30 2HD2 ASN 30 0.886 0.498 -9.444 250 H ALA 31 H ALA 31 0.658 6.139 -6.971 251 HA ALA 31 HA ALA 31 2.062 8.266 -8.387 252 1HB ALA 31 1HB ALA 31 -0.370 8.331 -8.346 253 2HB ALA 31 2HB ALA 31 0.307 9.728 -7.505 254 3HB ALA 31 3HB ALA 31 -0.350 8.373 -6.584 255 H ASP 32 H ASP 32 1.375 7.216 -5.067 256 HA ASP 32 HA ASP 32 3.531 9.005 -4.158 257 1HB ASP 32 2HB ASP 32 0.847 8.529 -2.868 258 2HB ASP 32 1HB ASP 32 2.205 9.260 -2.021 259 H ARG 33 H ARG 33 2.984 5.962 -4.673 260 HA ARG 33 HA ARG 33 3.755 3.981 -3.899 261 1HB ARG 33 2HB ARG 33 5.486 5.726 -2.140 262 2HB ARG 33 1HB ARG 33 5.700 3.995 -2.372 263 1HG ARG 33 2HG ARG 33 5.815 4.627 -4.895 264 2HG ARG 33 1HG ARG 33 6.183 6.236 -4.274 265 1HD ARG 33 2HD ARG 33 7.677 3.703 -3.635 266 2HD ARG 33 1HD ARG 33 8.215 4.967 -4.738 267 HE ARG 33 HE ARG 33 7.870 5.360 -1.825 268 1HH1 ARG 33 1HH1 ARG 33 9.520 6.016 -4.843 269 2HH1 ARG 33 2HH1 ARG 33 10.738 7.008 -4.105 270 1HH2 ARG 33 1HH2 ARG 33 9.488 6.629 -0.843 271 2HH2 ARG 33 2HH2 ARG 33 10.724 7.365 -1.827 272 H LEU 34 H LEU 34 1.374 4.891 -2.799 273 HA LEU 34 HA LEU 34 1.505 3.819 -0.061 274 1HB LEU 34 2HB LEU 34 -0.610 5.533 -1.375 275 2HB LEU 34 1HB LEU 34 -0.743 4.850 0.235 276 HG LEU 34 HG LEU 34 1.371 6.817 -0.626 277 1HD1 LEU 34 1HD1 LEU 34 0.134 8.419 0.763 278 2HD1 LEU 34 2HD1 LEU 34 -1.134 7.215 0.996 279 3HD1 LEU 34 3HD1 LEU 34 -0.816 7.861 -0.614 280 1HD2 LEU 34 1HD2 LEU 34 1.843 6.989 1.766 281 2HD2 LEU 34 2HD2 LEU 34 2.106 5.347 1.173 282 3HD2 LEU 34 3HD2 LEU 34 0.648 5.732 2.090 283 H ALA 35 H ALA 35 -0.580 2.612 0.525 284 HA ALA 35 HA ALA 35 -1.809 1.198 -1.685 285 1HB ALA 35 1HB ALA 35 0.246 -0.082 -1.308 286 2HB ALA 35 2HB ALA 35 -1.188 -1.021 -0.902 287 3HB ALA 35 3HB ALA 35 -0.209 -0.310 0.378 288 H PHE 36 H PHE 36 -3.856 0.820 -1.247 289 HA PHE 36 HA PHE 36 -4.820 1.140 1.494 290 1HB PHE 36 2HB PHE 36 -6.273 0.980 -1.160 291 2HB PHE 36 1HB PHE 36 -7.081 1.125 0.396 292 HD1 PHE 36 2HD PHE 36 -6.596 3.168 1.811 293 HD2 PHE 36 1HD PHE 36 -5.480 2.867 -2.282 294 HE1 PHE 36 2HE PHE 36 -6.382 5.618 1.695 295 HE2 PHE 36 1HE PHE 36 -5.262 5.312 -2.408 296 HZ PHE 36 HZ PHE 36 -5.711 6.693 -0.421 297 HA PRO 37 HA PRO 37 -4.862 -3.354 1.575 298 1HB PRO 37 2HB PRO 37 -5.318 -3.151 4.417 299 2HB PRO 37 1HB PRO 37 -3.850 -3.647 3.574 300 1HG PRO 37 2HG PRO 37 -4.076 -1.331 5.024 301 2HG PRO 37 1HG PRO 37 -2.931 -1.561 3.692 302 1HD PRO 37 2HD PRO 37 -5.582 -0.167 3.697 303 2HD PRO 37 1HD PRO 37 -4.067 0.292 2.888 304 H VAL 38 H VAL 38 -6.607 -4.529 1.104 305 HA VAL 38 HA VAL 38 -9.225 -3.684 2.080 306 HB VAL 38 HB VAL 38 -8.554 -5.944 0.183 307 1HG1 VAL 38 1HG1 VAL 38 -10.914 -5.769 -0.471 308 2HG1 VAL 38 2HG1 VAL 38 -11.157 -4.549 0.780 309 3HG1 VAL 38 3HG1 VAL 38 -10.723 -6.197 1.228 310 1HG2 VAL 38 1HG2 VAL 38 -7.794 -3.833 -0.745 311 2HG2 VAL 38 2HG2 VAL 38 -9.370 -3.107 -0.434 312 3HG2 VAL 38 3HG2 VAL 38 -9.218 -4.406 -1.616 313 H ARG 39 H ARG 39 -9.355 -4.288 4.205 314 HA ARG 39 HA ARG 39 -8.524 -6.991 4.938 315 1HB ARG 39 2HB ARG 39 -7.832 -5.003 6.322 316 2HB ARG 39 1HB ARG 39 -9.523 -4.795 6.760 317 1HG ARG 39 2HG ARG 39 -9.541 -7.000 7.794 318 2HG ARG 39 1HG ARG 39 -7.857 -7.240 7.330 319 1HD ARG 39 2HD ARG 39 -7.268 -5.241 8.694 320 2HD ARG 39 1HD ARG 39 -8.943 -5.182 9.243 321 HE ARG 39 HE ARG 39 -8.181 -7.728 9.818 322 1HH1 ARG 39 1HH1 ARG 39 -6.917 -4.553 10.625 323 2HH1 ARG 39 2HH1 ARG 39 -6.175 -5.089 12.111 324 1HH2 ARG 39 1HH2 ARG 39 -7.204 -8.437 11.758 325 2HH2 ARG 39 2HH2 ARG 39 -6.332 -7.303 12.751 326 H ASP 40 H ASP 40 -9.958 -8.547 4.796 327 HA ASP 40 HA ASP 40 -11.845 -9.779 5.030 328 1HB ASP 40 2HB ASP 40 -12.636 -7.492 6.841 329 2HB ASP 40 1HB ASP 40 -13.629 -8.929 6.618 330 H GLY 41 H GLY 41 -11.615 -7.294 3.137 331 1HA GLY 41 2HA GLY 41 -13.045 -7.139 1.192 332 2HA GLY 41 1HA GLY 41 -14.421 -7.445 2.243 333 H VAL 42 H VAL 42 -12.645 -5.483 4.056 334 HA VAL 42 HA VAL 42 -13.978 -3.082 3.004 335 HB VAL 42 HB VAL 42 -12.888 -3.565 5.787 336 1HG1 VAL 42 1HG1 VAL 42 -14.120 -1.532 6.373 337 2HG1 VAL 42 2HG1 VAL 42 -14.546 -1.311 4.676 338 3HG1 VAL 42 3HG1 VAL 42 -12.860 -1.222 5.182 339 1HG2 VAL 42 1HG2 VAL 42 -14.800 -5.000 5.371 340 2HG2 VAL 42 2HG2 VAL 42 -15.731 -3.624 4.776 341 3HG2 VAL 42 3HG2 VAL 42 -15.255 -3.698 6.474 342 HA PRO 43 HA PRO 43 -9.750 -1.886 1.907 343 1HB PRO 43 2HB PRO 43 -11.092 0.455 0.750 344 2HB PRO 43 1HB PRO 43 -10.098 -0.768 -0.045 345 1HG PRO 43 2HG PRO 43 -12.760 -0.614 -0.432 346 2HG PRO 43 1HG PRO 43 -11.883 -2.154 -0.449 347 1HD PRO 43 2HD PRO 43 -13.555 -0.950 1.730 348 2HD PRO 43 1HD PRO 43 -13.461 -2.638 1.182 349 H ILE 44 H ILE 44 -8.637 -1.093 3.567 350 HA ILE 44 HA ILE 44 -9.688 0.862 5.359 351 HB ILE 44 HB ILE 44 -6.848 -0.143 5.088 352 1HG1 ILE 44 2HG1 ILE 44 -8.391 -1.982 5.549 353 2HG1 ILE 44 1HG1 ILE 44 -7.420 -1.637 6.973 354 1HG2 ILE 44 1HG2 ILE 44 -6.935 1.949 6.300 355 2HG2 ILE 44 2HG2 ILE 44 -6.587 0.626 7.414 356 3HG2 ILE 44 3HG2 ILE 44 -8.208 1.321 7.348 357 1HD1 ILE 44 1HD1 ILE 44 -9.722 -2.070 7.578 358 2HD1 ILE 44 2HD1 ILE 44 -10.256 -0.757 6.528 359 3HD1 ILE 44 3HD1 ILE 44 -9.277 -0.405 7.952 360 H MET 45 H MET 45 -10.078 2.799 4.455 361 HA MET 45 HA MET 45 -8.061 4.070 2.779 362 1HB MET 45 2HB MET 45 -10.838 4.966 3.578 363 2HB MET 45 1HB MET 45 -9.778 5.834 2.474 364 1HG MET 45 2HG MET 45 -9.812 3.918 0.952 365 2HG MET 45 1HG MET 45 -10.894 3.072 2.055 366 1HE MET 45 1HE MET 45 -12.025 6.917 -0.238 367 2HE MET 45 2HE MET 45 -10.460 6.109 -0.376 368 3HE MET 45 3HE MET 45 -10.908 6.920 1.123 369 H LEU 46 H LEU 46 -8.179 3.633 5.881 370 HA LEU 46 HA LEU 46 -7.974 6.296 6.933 371 1HB LEU 46 2HB LEU 46 -7.094 3.657 8.113 372 2HB LEU 46 1HB LEU 46 -7.168 5.180 8.979 373 HG LEU 46 HG LEU 46 -9.532 3.719 7.805 374 1HD1 LEU 46 1HD1 LEU 46 -10.140 3.307 10.135 375 2HD1 LEU 46 2HD1 LEU 46 -8.629 4.054 10.661 376 3HD1 LEU 46 3HD1 LEU 46 -8.597 2.561 9.720 377 1HD2 LEU 46 1HD2 LEU 46 -9.858 6.131 7.799 378 2HD2 LEU 46 2HD2 LEU 46 -9.400 6.211 9.502 379 3HD2 LEU 46 3HD2 LEU 46 -10.872 5.365 9.022 380 H GLU 47 H GLU 47 -6.297 7.584 6.724 381 HA GLU 47 HA GLU 47 -4.033 6.964 5.230 382 1HB GLU 47 2HB GLU 47 -4.997 9.234 5.677 383 2HB GLU 47 1HB GLU 47 -4.304 9.156 7.289 384 1HG GLU 47 2HG GLU 47 -2.063 8.968 6.280 385 2HG GLU 47 1HG GLU 47 -2.794 9.158 4.686 386 H ALA 48 H ALA 48 -4.526 6.994 8.721 387 HA ALA 48 HA ALA 48 -1.773 6.677 9.388 388 1HB ALA 48 1HB ALA 48 -4.206 6.143 11.081 389 2HB ALA 48 2HB ALA 48 -3.411 7.704 10.902 390 3HB ALA 48 3HB ALA 48 -2.552 6.361 11.656 391 H GLU 49 H GLU 49 -4.218 4.463 8.401 392 HA GLU 49 HA GLU 49 -2.585 2.223 9.391 393 1HB GLU 49 2HB GLU 49 -5.572 2.389 9.024 394 2HB GLU 49 1HB GLU 49 -4.715 0.871 9.272 395 1HG GLU 49 2HG GLU 49 -3.809 1.826 11.394 396 2HG GLU 49 1HG GLU 49 -4.890 3.200 11.164 397 H ALA 50 H ALA 50 -2.854 3.845 6.728 398 HA ALA 50 HA ALA 50 -3.352 1.732 4.829 399 1HB ALA 50 1HB ALA 50 -3.832 4.054 4.232 400 2HB ALA 50 2HB ALA 50 -2.629 3.358 3.146 401 3HB ALA 50 3HB ALA 50 -2.126 4.463 4.425 402 H ARG 51 H ARG 51 -1.742 0.786 3.449 403 HA ARG 51 HA ARG 51 0.762 0.399 4.882 404 1HB ARG 51 2HB ARG 51 -0.410 -1.600 4.073 405 2HB ARG 51 1HB ARG 51 -0.295 -1.007 2.418 406 1HG ARG 51 2HG ARG 51 2.174 -1.049 2.630 407 2HG ARG 51 1HG ARG 51 1.986 -1.779 4.221 408 1HD ARG 51 2HD ARG 51 0.921 -3.723 3.237 409 2HD ARG 51 1HD ARG 51 0.996 -2.979 1.634 410 HE ARG 51 HE ARG 51 3.575 -3.065 2.800 411 1HH1 ARG 51 1HH1 ARG 51 1.207 -5.224 1.318 412 2HH1 ARG 51 2HH1 ARG 51 2.428 -6.309 0.724 413 1HH2 ARG 51 1HH2 ARG 51 5.133 -4.487 2.019 414 2HH2 ARG 51 2HH2 ARG 51 4.664 -5.888 1.106 415 H SER 52 H SER 52 2.206 1.976 4.502 416 HA SER 52 HA SER 52 2.535 3.024 1.834 417 1HB SER 52 2HB SER 52 2.762 4.650 3.517 418 2HB SER 52 1HB SER 52 3.853 3.648 4.460 419 HG SER 52 HG SER 52 4.467 5.467 2.658 420 H LEU 53 H LEU 53 4.464 2.933 0.674 421 HA LEU 53 HA LEU 53 5.842 0.381 0.964 422 1HB LEU 53 2HB LEU 53 6.030 2.507 -1.175 423 2HB LEU 53 1HB LEU 53 6.858 0.962 -1.223 424 HG LEU 53 HG LEU 53 3.862 1.347 -1.238 425 1HD1 LEU 53 1HD1 LEU 53 3.992 0.552 -3.537 426 2HD1 LEU 53 2HD1 LEU 53 5.750 0.489 -3.425 427 3HD1 LEU 53 3HD1 LEU 53 4.915 2.039 -3.324 428 1HD2 LEU 53 1HD2 LEU 53 4.483 -0.713 -0.119 429 2HD2 LEU 53 2HD2 LEU 53 5.532 -1.152 -1.467 430 3HD2 LEU 53 3HD2 LEU 53 3.787 -1.060 -1.701 431 H ASP 54 H ASP 54 6.218 3.489 2.039 432 HA ASP 54 HA ASP 54 9.148 3.332 2.169 433 1HB ASP 54 2HB ASP 54 7.173 5.578 2.550 434 2HB ASP 54 1HB ASP 54 8.843 5.718 3.084 435 H ALA 55 H ALA 55 6.857 2.013 3.825 436 HA ALA 55 HA ALA 55 7.242 3.064 6.472 437 1HB ALA 55 1HB ALA 55 5.817 0.565 5.573 438 2HB ALA 55 2HB ALA 55 5.086 2.153 5.799 439 3HB ALA 55 3HB ALA 55 5.742 1.280 7.184 440 H GLU 56 H GLU 56 8.570 0.440 4.588 441 HA GLU 56 HA GLU 56 9.754 -0.833 6.908 442 1HB GLU 56 2HB GLU 56 10.635 -2.474 5.337 443 2HB GLU 56 1HB GLU 56 8.923 -2.210 5.033 444 1HG GLU 56 2HG GLU 56 9.515 -0.707 3.173 445 2HG GLU 56 1HG GLU 56 11.218 -1.075 3.448 446 H ALA 57 H ALA 57 12.015 -1.081 7.209 447 HA ALA 57 HA ALA 57 13.779 0.710 5.744 448 1HB ALA 57 1HB ALA 57 13.339 0.972 8.723 449 2HB ALA 57 2HB ALA 57 12.843 2.136 7.493 450 3HB ALA 57 3HB ALA 57 14.557 1.834 7.777 451 HA PRO 58 HA PRO 58 16.843 -2.427 6.485 452 1HB PRO 58 2HB PRO 58 18.709 -0.233 7.220 453 2HB PRO 58 1HB PRO 58 18.876 -1.490 5.987 454 1HG PRO 58 2HG PRO 58 18.335 1.033 5.300 455 2HG PRO 58 1HG PRO 58 17.592 -0.328 4.440 456 1HD PRO 58 2HD PRO 58 16.414 1.485 6.501 457 2HD PRO 58 1HD PRO 58 15.671 0.800 5.043 458 H ALA 59 H ALA 59 17.783 -3.559 8.193 459 HA ALA 59 HA ALA 59 17.222 -2.428 10.855 460 1HB ALA 59 1HB ALA 59 15.806 -4.323 10.283 461 2HB ALA 59 2HB ALA 59 16.889 -4.719 11.618 462 3HB ALA 59 3HB ALA 59 17.234 -5.315 9.995 463 H GLN 60 H GLN 60 19.373 -4.815 9.284 464 HA GLN 60 HA GLN 60 21.307 -4.335 11.435 465 1HB GLN 60 2HB GLN 60 21.089 -6.557 9.413 466 2HB GLN 60 1HB GLN 60 22.430 -6.389 10.535 467 1HG GLN 60 2HG GLN 60 20.894 -6.597 12.411 468 2HG GLN 60 1HG GLN 60 19.542 -6.754 11.289 469 1HE2 GLN 60 1HE2 GLN 60 20.575 -8.602 13.329 470 2HE2 GLN 60 2HE2 GLN 60 20.924 -10.079 12.488 471 HA PRO 61 HA PRO 61 23.805 -2.209 8.357 472 1HB PRO 61 2HB PRO 61 25.133 -0.656 10.062 473 2HB PRO 61 1HB PRO 61 23.423 -0.362 9.721 474 1HG PRO 61 2HG PRO 61 24.689 -1.634 12.102 475 2HG PRO 61 1HG PRO 61 23.274 -0.570 12.015 476 1HD PRO 61 2HD PRO 61 23.243 -3.375 12.174 477 2HD PRO 61 1HD PRO 61 21.870 -2.335 11.751 478 H SER 62 H SER 62 26.398 -1.499 8.999 479 HA SER 62 HA SER 62 27.717 -4.055 8.913 480 1HB SER 62 2HB SER 62 28.974 -1.304 8.944 481 2HB SER 62 1HB SER 62 29.688 -2.803 8.347 482 HG SER 62 HG SER 62 27.763 -2.788 6.857 483 H LEU 63 H LEU 63 28.683 -5.066 10.580 484 HA LEU 63 HA LEU 63 28.662 -3.801 13.182 485 1HB LEU 63 2HB LEU 63 29.643 -6.537 12.360 486 2HB LEU 63 1HB LEU 63 29.493 -5.964 14.009 487 HG LEU 63 HG LEU 63 27.193 -6.358 12.085 488 1HD1 LEU 63 1HD1 LEU 63 26.590 -8.224 13.526 489 2HD1 LEU 63 2HD1 LEU 63 28.024 -7.944 14.511 490 3HD1 LEU 63 3HD1 LEU 63 28.194 -8.463 12.835 491 1HD2 LEU 63 1HD2 LEU 63 25.770 -5.913 14.005 492 2HD2 LEU 63 2HD2 LEU 63 26.818 -4.530 13.689 493 3HD2 LEU 63 3HD2 LEU 63 27.188 -5.632 15.015 494 H GLU 64 H GLU 64 30.138 -2.118 12.720 495 HA GLU 64 HA GLU 64 32.830 -2.636 11.931 496 1HB GLU 64 2HB GLU 64 31.564 -0.195 13.188 497 2HB GLU 64 1HB GLU 64 33.192 -0.254 12.529 498 1HG GLU 64 2HG GLU 64 32.368 -0.613 10.325 499 2HG GLU 64 1HG GLU 64 30.723 -0.832 10.919 500 H HIS 65 H HIS 65 31.235 -1.890 15.008 501 HA HIS 65 HA HIS 65 33.730 -2.251 16.463 502 1HB HIS 65 2HB HIS 65 30.923 -1.730 17.477 503 2HB HIS 65 1HB HIS 65 32.368 -1.781 18.477 504 HD1 HIS 65 1HD HIS 65 30.217 0.587 16.982 505 HD2 HIS 65 2HD HIS 65 34.353 0.277 17.353 506 HE1 HIS 65 1HE HIS 65 31.115 2.914 16.631 507 HE2 HIS 65 2HE HIS 65 33.619 2.705 16.841 508 H HIS 66 H HIS 66 33.723 -4.481 15.404 509 HA HIS 66 HA HIS 66 31.896 -6.389 16.587 510 1HB HIS 66 2HB HIS 66 32.989 -8.052 15.125 511 2HB HIS 66 1HB HIS 66 32.409 -6.654 14.231 512 HD1 HIS 66 1HD HIS 66 35.338 -8.734 14.692 513 HD2 HIS 66 2HD HIS 66 34.602 -4.810 13.543 514 HE1 HIS 66 1HE HIS 66 37.430 -7.964 13.537 515 HE2 HIS 66 2HE HIS 66 36.861 -5.679 12.645 516 H HIS 67 H HIS 67 32.265 -6.853 18.605 517 HA HIS 67 HA HIS 67 33.213 -7.645 20.496 518 1HB HIS 67 2HB HIS 67 33.168 -9.672 19.078 519 2HB HIS 67 1HB HIS 67 34.813 -9.323 18.560 520 HD1 HIS 67 1HD HIS 67 36.242 -11.029 19.650 521 HD2 HIS 67 2HD HIS 67 33.385 -9.488 22.252 522 HE1 HIS 67 1HE HIS 67 36.741 -12.054 21.892 523 HE2 HIS 67 2HE HIS 67 34.848 -11.297 23.377 524 H HIS 68 H HIS 68 34.232 -5.606 20.991 525 HA HIS 68 HA HIS 68 36.943 -6.124 21.739 526 1HB HIS 68 2HB HIS 68 37.180 -5.126 19.419 527 2HB HIS 68 1HB HIS 68 36.485 -3.643 20.068 528 HD1 HIS 68 1HD HIS 68 38.089 -2.033 21.106 529 HD2 HIS 68 2HD HIS 68 39.694 -5.859 20.748 530 HE1 HIS 68 1HE HIS 68 40.499 -1.831 21.802 531 HE2 HIS 68 2HE HIS 68 41.436 -4.169 21.647 532 H HIS 69 H HIS 69 36.302 -5.928 23.806 533 HA HIS 69 HA HIS 69 35.712 -4.974 25.778 534 1HB HIS 69 2HB HIS 69 37.268 -3.172 25.176 535 2HB HIS 69 1HB HIS 69 35.994 -2.357 24.278 536 HD1 HIS 69 1HD HIS 69 37.190 -3.045 27.755 537 HD2 HIS 69 2HD HIS 69 34.160 -0.934 25.834 538 HE1 HIS 69 1HE HIS 69 36.167 -1.568 29.514 539 HE2 HIS 69 2HE HIS 69 34.429 -0.198 28.297 540 H HIS 70 H HIS 70 33.723 -5.626 26.195 541 HA HIS 70 HA HIS 70 31.446 -5.194 24.681 542 1HB HIS 70 2HB HIS 70 30.160 -5.985 26.594 543 2HB HIS 70 1HB HIS 70 31.615 -6.949 26.389 544 HD1 HIS 70 1HD HIS 70 33.564 -6.495 28.160 545 HD2 HIS 70 2HD HIS 70 29.868 -4.805 29.044 546 HE1 HIS 70 1HE HIS 70 33.661 -5.882 30.597 547 HE2 HIS 70 2HE HIS 70 31.340 -5.069 31.153 Start of MODEL 20 1 1H MET 1 1H MET 1 -27.634 4.368 -10.245 2 2H MET 1 2H MET 1 -27.537 4.655 -8.580 3 3H MET 1 3H MET 1 -26.815 3.271 -9.248 4 HA MET 1 HA MET 1 -26.025 6.053 -9.868 5 1HB MET 1 2HB MET 1 -25.524 5.328 -7.514 6 2HB MET 1 1HB MET 1 -24.555 4.020 -8.179 7 1HG MET 1 2HG MET 1 -23.181 5.910 -7.488 8 2HG MET 1 1HG MET 1 -23.065 5.620 -9.223 9 1HE MET 1 1HE MET 1 -22.135 8.298 -7.719 10 2HE MET 1 2HE MET 1 -22.722 9.535 -8.832 11 3HE MET 1 3HE MET 1 -21.958 8.077 -9.462 12 H GLU 2 H GLU 2 -25.407 6.000 -11.928 13 HA GLU 2 HA GLU 2 -24.685 3.442 -13.081 14 1HB GLU 2 2HB GLU 2 -25.307 6.110 -14.348 15 2HB GLU 2 1HB GLU 2 -24.850 4.679 -15.260 16 1HG GLU 2 2HG GLU 2 -27.226 4.888 -15.320 17 2HG GLU 2 1HG GLU 2 -26.815 3.500 -14.316 18 H SER 3 H SER 3 -22.627 3.155 -12.255 19 HA SER 3 HA SER 3 -20.607 4.418 -13.949 20 1HB SER 3 2HB SER 3 -20.274 3.996 -10.959 21 2HB SER 3 1HB SER 3 -19.016 4.555 -12.061 22 HG SER 3 HG SER 3 -21.182 6.085 -12.380 23 H ARG 4 H ARG 4 -20.406 2.635 -15.209 24 HA ARG 4 HA ARG 4 -20.484 -0.005 -13.987 25 1HB ARG 4 2HB ARG 4 -21.743 0.634 -16.085 26 2HB ARG 4 1HB ARG 4 -20.194 0.677 -16.912 27 1HG ARG 4 2HG ARG 4 -19.852 -1.672 -16.496 28 2HG ARG 4 1HG ARG 4 -21.323 -1.745 -15.521 29 1HD ARG 4 2HD ARG 4 -22.580 -0.972 -17.554 30 2HD ARG 4 1HD ARG 4 -21.094 -1.202 -18.473 31 HE ARG 4 HE ARG 4 -21.299 -3.614 -17.515 32 1HH1 ARG 4 1HH1 ARG 4 -23.919 -1.524 -18.541 33 2HH1 ARG 4 2HH1 ARG 4 -24.959 -2.836 -19.021 34 1HH2 ARG 4 1HH2 ARG 4 -22.669 -5.358 -18.126 35 2HH2 ARG 4 2HH2 ARG 4 -24.244 -5.023 -18.787 36 H LEU 5 H LEU 5 -18.352 1.497 -16.435 37 HA LEU 5 HA LEU 5 -16.241 -0.343 -15.617 38 1HB LEU 5 2HB LEU 5 -15.077 0.281 -17.627 39 2HB LEU 5 1HB LEU 5 -16.734 -0.127 -18.015 40 HG LEU 5 HG LEU 5 -15.813 2.730 -17.708 41 1HD1 LEU 5 1HD1 LEU 5 -15.620 2.800 -20.142 42 2HD1 LEU 5 2HD1 LEU 5 -15.943 1.068 -20.225 43 3HD1 LEU 5 3HD1 LEU 5 -14.473 1.655 -19.447 44 1HD2 LEU 5 1HD2 LEU 5 -18.229 2.337 -17.582 45 2HD2 LEU 5 2HD2 LEU 5 -18.171 1.485 -19.125 46 3HD2 LEU 5 3HD2 LEU 5 -17.792 3.206 -19.053 47 H LEU 6 H LEU 6 -17.177 2.146 -14.160 48 HA LEU 6 HA LEU 6 -14.544 3.437 -13.945 49 1HB LEU 6 2HB LEU 6 -17.299 4.563 -13.510 50 2HB LEU 6 1HB LEU 6 -15.881 5.326 -12.823 51 HG LEU 6 HG LEU 6 -16.390 6.509 -14.800 52 1HD1 LEU 6 1HD1 LEU 6 -14.145 4.595 -15.390 53 2HD1 LEU 6 2HD1 LEU 6 -14.033 6.118 -14.505 54 3HD1 LEU 6 3HD1 LEU 6 -14.438 6.123 -16.223 55 1HD2 LEU 6 1HD2 LEU 6 -16.621 5.434 -16.998 56 2HD2 LEU 6 2HD2 LEU 6 -17.872 4.931 -15.862 57 3HD2 LEU 6 3HD2 LEU 6 -16.521 3.854 -16.218 58 H ASP 7 H ASP 7 -13.808 1.839 -12.483 59 HA ASP 7 HA ASP 7 -14.986 2.122 -9.797 60 1HB ASP 7 2HB ASP 7 -14.929 -0.219 -10.818 61 2HB ASP 7 1HB ASP 7 -13.177 -0.134 -10.679 62 H ILE 8 H ILE 8 -13.880 3.817 -9.008 63 HA ILE 8 HA ILE 8 -10.975 3.889 -9.382 64 HB ILE 8 HB ILE 8 -11.145 6.271 -8.641 65 1HG1 ILE 8 2HG1 ILE 8 -14.123 5.815 -8.960 66 2HG1 ILE 8 1HG1 ILE 8 -13.301 6.046 -7.421 67 1HG2 ILE 8 1HG2 ILE 8 -12.029 7.086 -10.767 68 2HG2 ILE 8 2HG2 ILE 8 -12.771 5.513 -11.063 69 3HG2 ILE 8 3HG2 ILE 8 -11.015 5.659 -10.997 70 1HD1 ILE 8 1HD1 ILE 8 -14.375 8.090 -8.133 71 2HD1 ILE 8 2HD1 ILE 8 -13.488 8.049 -9.655 72 3HD1 ILE 8 3HD1 ILE 8 -12.623 8.289 -8.138 73 H LEU 9 H LEU 9 -9.583 3.872 -7.727 74 HA LEU 9 HA LEU 9 -10.598 4.083 -4.992 75 1HB LEU 9 2HB LEU 9 -8.885 1.847 -6.073 76 2HB LEU 9 1HB LEU 9 -9.052 2.184 -4.362 77 HG LEU 9 HG LEU 9 -11.340 1.437 -6.191 78 1HD1 LEU 9 1HD1 LEU 9 -9.866 -0.237 -4.159 79 2HD1 LEU 9 2HD1 LEU 9 -9.753 -0.411 -5.910 80 3HD1 LEU 9 3HD1 LEU 9 -11.280 -0.731 -5.090 81 1HD2 LEU 9 1HD2 LEU 9 -12.009 2.803 -4.280 82 2HD2 LEU 9 2HD2 LEU 9 -11.180 1.692 -3.189 83 3HD2 LEU 9 3HD2 LEU 9 -12.582 1.145 -4.109 84 H VAL 10 H VAL 10 -9.293 5.201 -3.665 85 HA VAL 10 HA VAL 10 -6.545 5.733 -4.527 86 HB VAL 10 HB VAL 10 -6.762 8.106 -3.784 87 1HG1 VAL 10 1HG1 VAL 10 -7.896 8.907 -5.802 88 2HG1 VAL 10 2HG1 VAL 10 -8.588 7.303 -6.050 89 3HG1 VAL 10 3HG1 VAL 10 -6.842 7.540 -6.155 90 1HG2 VAL 10 1HG2 VAL 10 -9.720 7.493 -3.756 91 2HG2 VAL 10 2HG2 VAL 10 -9.001 9.095 -3.588 92 3HG2 VAL 10 3HG2 VAL 10 -8.726 7.867 -2.351 93 H CYS 11 H CYS 11 -5.114 6.313 -2.821 94 HA CYS 11 HA CYS 11 -5.421 4.879 -0.451 95 1HB CYS 11 2HB CYS 11 -3.231 5.504 -1.274 96 2HB CYS 11 1HB CYS 11 -3.609 7.213 -1.100 97 HG CYS 11 HG CYS 11 -1.861 6.744 0.918 98 HA PRO 12 HA PRO 12 -8.233 7.384 1.892 99 1HB PRO 12 2HB PRO 12 -7.317 6.589 4.395 100 2HB PRO 12 1HB PRO 12 -8.534 5.744 3.435 101 1HG PRO 12 2HG PRO 12 -5.617 5.181 3.718 102 2HG PRO 12 1HG PRO 12 -6.976 4.047 3.595 103 1HD PRO 12 2HD PRO 12 -5.373 4.528 1.504 104 2HD PRO 12 1HD PRO 12 -7.118 4.274 1.287 105 H VAL 13 H VAL 13 -4.763 7.411 2.420 106 HA VAL 13 HA VAL 13 -4.887 9.801 4.051 107 HB VAL 13 HB VAL 13 -2.416 8.440 2.962 108 1HG1 VAL 13 1HG1 VAL 13 -2.821 10.357 5.258 109 2HG1 VAL 13 2HG1 VAL 13 -2.056 10.727 3.714 110 3HG1 VAL 13 3HG1 VAL 13 -1.295 9.587 4.824 111 1HG2 VAL 13 1HG2 VAL 13 -3.745 6.861 4.284 112 2HG2 VAL 13 2HG2 VAL 13 -3.802 8.017 5.615 113 3HG2 VAL 13 3HG2 VAL 13 -2.262 7.306 5.130 114 H CYS 14 H CYS 14 -2.661 9.227 1.333 115 HA CYS 14 HA CYS 14 -2.771 12.059 0.759 116 1HB CYS 14 2HB CYS 14 -1.076 9.906 -0.514 117 2HB CYS 14 1HB CYS 14 -0.853 11.644 -0.686 118 HG CYS 14 HG CYS 14 0.345 9.621 1.591 119 H LYS 15 H LYS 15 -4.579 9.511 -0.287 120 HA LYS 15 HA LYS 15 -5.940 9.102 -2.065 121 1HB LYS 15 2HB LYS 15 -5.584 12.026 -2.725 122 2HB LYS 15 1HB LYS 15 -6.956 11.002 -3.115 123 1HG LYS 15 2HG LYS 15 -6.138 11.811 -0.331 124 2HG LYS 15 1HG LYS 15 -7.411 12.572 -1.278 125 1HD LYS 15 2HD LYS 15 -8.550 10.347 -1.389 126 2HD LYS 15 1HD LYS 15 -7.333 9.737 -0.265 127 1HE LYS 15 2HE LYS 15 -9.255 12.007 0.254 128 2HE LYS 15 1HE LYS 15 -9.378 10.374 0.907 129 1HZ LYS 15 1HZ LYS 15 -7.199 12.324 1.466 130 2HZ LYS 15 2HZ LYS 15 -7.274 10.736 2.069 131 3HZ LYS 15 3HZ LYS 15 -8.439 11.871 2.530 132 H GLY 16 H GLY 16 -3.023 8.856 -2.472 133 1HA GLY 16 2HA GLY 16 -2.415 10.109 -5.001 134 2HA GLY 16 1HA GLY 16 -1.338 9.144 -4.030 135 H ARG 17 H ARG 17 -4.432 8.378 -5.450 136 HA ARG 17 HA ARG 17 -5.154 6.861 -6.983 137 1HB ARG 17 2HB ARG 17 -3.764 8.338 -8.418 138 2HB ARG 17 1HB ARG 17 -2.416 7.230 -8.197 139 1HG ARG 17 2HG ARG 17 -3.873 5.433 -9.189 140 2HG ARG 17 1HG ARG 17 -5.019 6.710 -9.608 141 1HD ARG 17 2HD ARG 17 -3.168 7.853 -10.841 142 2HD ARG 17 1HD ARG 17 -2.167 6.433 -10.544 143 HE ARG 17 HE ARG 17 -4.296 6.700 -12.468 144 1HH1 ARG 17 1HH1 ARG 17 -2.416 4.417 -10.583 145 2HH1 ARG 17 2HH1 ARG 17 -2.687 3.088 -11.676 146 1HH2 ARG 17 1HH2 ARG 17 -4.642 4.947 -13.904 147 2HH2 ARG 17 2HH2 ARG 17 -3.948 3.394 -13.554 148 H LEU 18 H LEU 18 -5.507 4.847 -6.252 149 HA LEU 18 HA LEU 18 -3.277 3.090 -5.640 150 1HB LEU 18 2HB LEU 18 -6.264 2.649 -5.577 151 2HB LEU 18 1HB LEU 18 -5.084 1.423 -5.155 152 HG LEU 18 HG LEU 18 -5.493 4.045 -3.709 153 1HD1 LEU 18 1HD1 LEU 18 -6.334 2.641 -1.896 154 2HD1 LEU 18 2HD1 LEU 18 -6.139 1.210 -2.908 155 3HD1 LEU 18 3HD1 LEU 18 -7.310 2.452 -3.353 156 1HD2 LEU 18 1HD2 LEU 18 -3.917 3.142 -2.073 157 2HD2 LEU 18 2HD2 LEU 18 -3.161 3.318 -3.657 158 3HD2 LEU 18 3HD2 LEU 18 -3.665 1.725 -3.094 159 H GLU 19 H GLU 19 -2.721 1.266 -6.792 160 HA GLU 19 HA GLU 19 -4.005 0.959 -9.427 161 1HB GLU 19 2HB GLU 19 -1.744 2.005 -9.576 162 2HB GLU 19 1HB GLU 19 -1.067 0.578 -8.803 163 1HG GLU 19 2HG GLU 19 -0.797 0.595 -11.251 164 2HG GLU 19 1HG GLU 19 -1.702 -0.800 -10.660 165 H PHE 20 H PHE 20 -4.237 -1.157 -10.193 166 HA PHE 20 HA PHE 20 -4.379 -3.073 -7.997 167 1HB PHE 20 2HB PHE 20 -6.394 -2.703 -9.374 168 2HB PHE 20 1HB PHE 20 -5.514 -3.257 -10.796 169 HD1 PHE 20 1HD PHE 20 -6.713 -4.332 -7.460 170 HD2 PHE 20 2HD PHE 20 -5.404 -5.531 -11.324 171 HE1 PHE 20 1HE PHE 20 -7.378 -6.644 -6.959 172 HE2 PHE 20 2HE PHE 20 -6.070 -7.850 -10.832 173 HZ PHE 20 HZ PHE 20 -7.060 -8.408 -8.647 174 H GLN 21 H GLN 21 -2.563 -4.148 -7.683 175 HA GLN 21 HA GLN 21 -0.793 -4.991 -9.760 176 1HB GLN 21 2HB GLN 21 -0.893 -5.059 -6.872 177 2HB GLN 21 1HB GLN 21 -0.389 -6.620 -7.503 178 1HG GLN 21 2HG GLN 21 0.889 -4.033 -8.329 179 2HG GLN 21 1HG GLN 21 1.440 -4.984 -6.951 180 1HE2 GLN 21 1HE2 GLN 21 3.426 -5.400 -7.822 181 2HE2 GLN 21 2HE2 GLN 21 3.659 -6.483 -9.162 182 H ARG 22 H ARG 22 -1.616 -6.341 -11.258 183 HA ARG 22 HA ARG 22 -3.529 -8.373 -10.556 184 1HB ARG 22 2HB ARG 22 -3.385 -6.996 -12.751 185 2HB ARG 22 1HB ARG 22 -2.161 -8.169 -13.221 186 1HG ARG 22 2HG ARG 22 -3.788 -9.975 -12.915 187 2HG ARG 22 1HG ARG 22 -5.013 -8.779 -12.482 188 1HD ARG 22 2HD ARG 22 -4.378 -7.710 -14.774 189 2HD ARG 22 1HD ARG 22 -3.738 -9.315 -15.130 190 HE ARG 22 HE ARG 22 -6.426 -9.344 -14.098 191 1HH1 ARG 22 1HH1 ARG 22 -4.456 -9.171 -16.989 192 2HH1 ARG 22 2HH1 ARG 22 -5.763 -9.574 -18.063 193 1HH2 ARG 22 1HH2 ARG 22 -8.148 -9.876 -15.497 194 2HH2 ARG 22 2HH2 ARG 22 -7.875 -9.926 -17.217 195 H ALA 23 H ALA 23 -2.189 -9.501 -9.054 196 HA ALA 23 HA ALA 23 -1.034 -11.848 -10.012 197 1HB ALA 23 1HB ALA 23 0.795 -10.424 -10.807 198 2HB ALA 23 2HB ALA 23 1.341 -11.510 -9.527 199 3HB ALA 23 3HB ALA 23 1.029 -9.810 -9.171 200 H GLN 24 H GLN 24 -0.039 -9.581 -7.439 201 HA GLN 24 HA GLN 24 -0.373 -11.725 -5.484 202 1HB GLN 24 2HB GLN 24 1.738 -10.367 -5.605 203 2HB GLN 24 1HB GLN 24 0.808 -8.969 -5.086 204 1HG GLN 24 2HG GLN 24 0.370 -9.950 -2.964 205 2HG GLN 24 1HG GLN 24 1.026 -11.504 -3.482 206 1HE2 GLN 24 1HE2 GLN 24 1.788 -8.235 -2.530 207 2HE2 GLN 24 2HE2 GLN 24 3.470 -8.518 -2.239 208 H ALA 25 H ALA 25 -2.245 -9.393 -6.782 209 HA ALA 25 HA ALA 25 -4.188 -8.363 -6.256 210 1HB ALA 25 1HB ALA 25 -4.293 -10.379 -4.018 211 2HB ALA 25 2HB ALA 25 -4.876 -10.631 -5.662 212 3HB ALA 25 3HB ALA 25 -5.650 -9.429 -4.627 213 H GLU 26 H GLU 26 -2.788 -6.529 -5.716 214 HA GLU 26 HA GLU 26 -3.472 -5.546 -3.076 215 1HB GLU 26 2HB GLU 26 -1.112 -4.682 -2.749 216 2HB GLU 26 1HB GLU 26 -1.329 -6.415 -2.544 217 1HG GLU 26 2HG GLU 26 -0.420 -6.818 -4.751 218 2HG GLU 26 1HG GLU 26 -0.263 -5.084 -5.025 219 H LEU 27 H LEU 27 -3.473 -3.289 -2.925 220 HA LEU 27 HA LEU 27 -3.513 -1.935 -5.528 221 1HB LEU 27 2HB LEU 27 -4.669 -1.071 -2.878 222 2HB LEU 27 1HB LEU 27 -4.823 -0.198 -4.385 223 HG LEU 27 HG LEU 27 -5.964 -2.940 -3.841 224 1HD1 LEU 27 1HD1 LEU 27 -7.320 -0.257 -4.055 225 2HD1 LEU 27 2HD1 LEU 27 -7.102 -1.195 -2.577 226 3HD1 LEU 27 3HD1 LEU 27 -8.128 -1.814 -3.872 227 1HD2 LEU 27 1HD2 LEU 27 -6.247 -1.110 -6.221 228 2HD2 LEU 27 2HD2 LEU 27 -7.132 -2.616 -5.973 229 3HD2 LEU 27 3HD2 LEU 27 -5.381 -2.645 -6.181 230 H VAL 28 H VAL 28 -1.681 -0.995 -6.006 231 HA VAL 28 HA VAL 28 0.165 -0.146 -3.945 232 HB VAL 28 HB VAL 28 0.405 0.016 -6.956 233 1HG1 VAL 28 1HG1 VAL 28 2.512 0.282 -4.818 234 2HG1 VAL 28 2HG1 VAL 28 1.869 1.592 -5.810 235 3HG1 VAL 28 3HG1 VAL 28 2.792 0.287 -6.560 236 1HG2 VAL 28 1HG2 VAL 28 1.821 -1.965 -6.761 237 2HG2 VAL 28 2HG2 VAL 28 0.181 -2.284 -6.195 238 3HG2 VAL 28 3HG2 VAL 28 1.484 -2.038 -5.032 239 H CYS 29 H CYS 29 0.148 1.830 -3.105 240 HA CYS 29 HA CYS 29 -1.214 4.004 -4.470 241 1HB CYS 29 2HB CYS 29 -1.491 3.780 -2.029 242 2HB CYS 29 1HB CYS 29 0.246 3.990 -1.815 243 HG CYS 29 HG CYS 29 -0.793 6.409 -1.057 244 H ASN 30 H ASN 30 -0.232 5.428 -5.716 245 HA ASN 30 HA ASN 30 2.554 5.012 -6.277 246 1HB ASN 30 2HB ASN 30 0.476 6.856 -7.464 247 2HB ASN 30 1HB ASN 30 2.142 6.779 -8.037 248 1HD2 ASN 30 1HD2 ASN 30 -0.882 5.022 -7.758 249 2HD2 ASN 30 2HD2 ASN 30 -0.497 3.817 -8.938 250 H ALA 31 H ALA 31 0.723 7.261 -4.417 251 HA ALA 31 HA ALA 31 2.870 9.222 -4.367 252 1HB ALA 31 1HB ALA 31 1.384 10.535 -2.952 253 2HB ALA 31 2HB ALA 31 0.251 9.188 -2.872 254 3HB ALA 31 3HB ALA 31 0.551 9.996 -4.409 255 H ASP 32 H ASP 32 1.240 7.035 -2.090 256 HA ASP 32 HA ASP 32 2.979 7.774 0.081 257 1HB ASP 32 2HB ASP 32 0.896 5.603 -0.183 258 2HB ASP 32 1HB ASP 32 1.827 5.881 1.283 259 H ARG 33 H ARG 33 3.276 5.670 -2.526 260 HA ARG 33 HA ARG 33 4.776 4.052 -3.103 261 1HB ARG 33 2HB ARG 33 6.240 4.871 -0.596 262 2HB ARG 33 1HB ARG 33 6.894 3.914 -1.918 263 1HG ARG 33 2HG ARG 33 6.485 5.871 -3.420 264 2HG ARG 33 1HG ARG 33 6.090 6.807 -1.974 265 1HD ARG 33 2HD ARG 33 8.320 6.124 -1.061 266 2HD ARG 33 1HD ARG 33 8.685 5.467 -2.655 267 HE ARG 33 HE ARG 33 7.866 8.113 -3.003 268 1HH1 ARG 33 1HH1 ARG 33 10.512 6.353 -1.521 269 2HH1 ARG 33 2HH1 ARG 33 11.653 7.647 -1.707 270 1HH2 ARG 33 1HH2 ARG 33 9.368 9.827 -3.248 271 2HH2 ARG 33 2HH2 ARG 33 11.010 9.615 -2.703 272 H LEU 34 H LEU 34 2.488 3.392 -1.517 273 HA LEU 34 HA LEU 34 3.503 1.182 0.146 274 1HB LEU 34 2HB LEU 34 0.979 2.806 0.442 275 2HB LEU 34 1HB LEU 34 1.308 1.345 1.352 276 HG LEU 34 HG LEU 34 3.003 3.835 1.456 277 1HD1 LEU 34 1HD1 LEU 34 2.013 4.196 3.656 278 2HD1 LEU 34 2HD1 LEU 34 0.956 2.804 3.417 279 3HD1 LEU 34 3HD1 LEU 34 0.781 4.232 2.395 280 1HD2 LEU 34 1HD2 LEU 34 3.014 1.325 3.128 281 2HD2 LEU 34 2HD2 LEU 34 3.994 2.760 3.428 282 3HD2 LEU 34 3HD2 LEU 34 4.247 1.809 1.964 283 H ALA 35 H ALA 35 2.125 -0.711 0.264 284 HA ALA 35 HA ALA 35 0.429 -1.091 -2.117 285 1HB ALA 35 1HB ALA 35 2.587 -2.203 -2.465 286 2HB ALA 35 2HB ALA 35 1.274 -3.372 -2.336 287 3HB ALA 35 3HB ALA 35 2.359 -3.110 -0.970 288 H PHE 36 H PHE 36 -1.575 -1.337 -1.426 289 HA PHE 36 HA PHE 36 -2.076 -2.436 1.239 290 1HB PHE 36 2HB PHE 36 -3.950 -1.069 -0.709 291 2HB PHE 36 1HB PHE 36 -4.354 -1.547 0.935 292 HD1 PHE 36 2HD PHE 36 -3.198 -0.429 2.846 293 HD2 PHE 36 1HD PHE 36 -2.851 0.961 -1.160 294 HE1 PHE 36 2HE PHE 36 -2.414 1.744 3.676 295 HE2 PHE 36 1HE PHE 36 -2.064 3.147 -0.334 296 HZ PHE 36 HZ PHE 36 -1.847 3.537 2.089 297 HA PRO 37 HA PRO 37 -2.813 -6.278 -0.967 298 1HB PRO 37 2HB PRO 37 -3.361 -7.341 1.716 299 2HB PRO 37 1HB PRO 37 -2.116 -7.813 0.558 300 1HG PRO 37 2HG PRO 37 -1.523 -6.477 2.821 301 2HG PRO 37 1HG PRO 37 -0.622 -6.216 1.315 302 1HD PRO 37 2HD PRO 37 -2.782 -4.553 2.551 303 2HD PRO 37 1HD PRO 37 -1.280 -4.039 1.754 304 H VAL 38 H VAL 38 -4.626 -7.230 -1.726 305 HA VAL 38 HA VAL 38 -7.182 -6.424 -0.561 306 HB VAL 38 HB VAL 38 -6.640 -7.953 -3.116 307 1HG1 VAL 38 1HG1 VAL 38 -8.954 -7.410 -3.680 308 2HG1 VAL 38 2HG1 VAL 38 -9.162 -6.647 -2.103 309 3HG1 VAL 38 3HG1 VAL 38 -8.858 -8.382 -2.212 310 1HG2 VAL 38 1HG2 VAL 38 -5.724 -5.706 -3.239 311 2HG2 VAL 38 2HG2 VAL 38 -7.267 -5.031 -2.711 312 3HG2 VAL 38 3HG2 VAL 38 -7.150 -5.855 -4.266 313 H ARG 39 H ARG 39 -8.187 -7.714 0.831 314 HA ARG 39 HA ARG 39 -7.242 -10.462 1.087 315 1HB ARG 39 2HB ARG 39 -7.364 -9.010 3.110 316 2HB ARG 39 1HB ARG 39 -9.107 -8.918 2.905 317 1HG ARG 39 2HG ARG 39 -9.229 -11.368 3.176 318 2HG ARG 39 1HG ARG 39 -7.490 -11.393 3.475 319 1HD ARG 39 2HD ARG 39 -7.817 -9.897 5.391 320 2HD ARG 39 1HD ARG 39 -9.557 -9.930 5.111 321 HE ARG 39 HE ARG 39 -8.311 -12.519 5.485 322 1HH1 ARG 39 1HH1 ARG 39 -9.982 -9.835 7.003 323 2HH1 ARG 39 2HH1 ARG 39 -10.492 -10.774 8.375 324 1HH2 ARG 39 1HH2 ARG 39 -8.954 -13.737 7.303 325 2HH2 ARG 39 2HH2 ARG 39 -9.889 -12.976 8.555 326 H ASP 40 H ASP 40 -8.280 -11.000 -0.937 327 HA ASP 40 HA ASP 40 -9.926 -11.884 -2.226 328 1HB ASP 40 2HB ASP 40 -9.684 -13.610 -0.465 329 2HB ASP 40 1HB ASP 40 -10.991 -12.845 0.435 330 H GLY 41 H GLY 41 -10.740 -9.803 -2.835 331 1HA GLY 41 2HA GLY 41 -12.775 -8.811 -3.487 332 2HA GLY 41 1HA GLY 41 -13.551 -9.539 -2.089 333 H VAL 42 H VAL 42 -11.767 -8.644 -0.085 334 HA VAL 42 HA VAL 42 -12.612 -5.834 -0.018 335 HB VAL 42 HB VAL 42 -11.754 -7.610 2.275 336 1HG1 VAL 42 1HG1 VAL 42 -11.386 -5.240 2.702 337 2HG1 VAL 42 2HG1 VAL 42 -12.692 -5.876 3.702 338 3HG1 VAL 42 3HG1 VAL 42 -13.064 -4.897 2.282 339 1HG2 VAL 42 1HG2 VAL 42 -13.824 -8.409 1.285 340 2HG2 VAL 42 2HG2 VAL 42 -14.521 -6.792 1.405 341 3HG2 VAL 42 3HG2 VAL 42 -14.120 -7.692 2.869 342 HA PRO 43 HA PRO 43 -8.199 -4.963 -0.514 343 1HB PRO 43 2HB PRO 43 -9.113 -2.197 -0.718 344 2HB PRO 43 1HB PRO 43 -8.266 -3.183 -1.911 345 1HG PRO 43 2HG PRO 43 -10.853 -2.453 -2.210 346 2HG PRO 43 1HG PRO 43 -10.220 -3.990 -2.828 347 1HD PRO 43 2HD PRO 43 -11.802 -3.451 -0.344 348 2HD PRO 43 1HD PRO 43 -11.948 -4.790 -1.504 349 H ILE 44 H ILE 44 -7.010 -4.875 1.303 350 HA ILE 44 HA ILE 44 -8.040 -3.516 3.648 351 HB ILE 44 HB ILE 44 -5.421 -4.993 3.341 352 1HG1 ILE 44 2HG1 ILE 44 -7.269 -6.511 2.873 353 2HG1 ILE 44 1HG1 ILE 44 -6.594 -6.876 4.455 354 1HG2 ILE 44 1HG2 ILE 44 -5.484 -5.118 5.783 355 2HG2 ILE 44 2HG2 ILE 44 -6.981 -4.187 5.795 356 3HG2 ILE 44 3HG2 ILE 44 -5.486 -3.444 5.227 357 1HD1 ILE 44 1HD1 ILE 44 -8.440 -5.631 5.504 358 2HD1 ILE 44 2HD1 ILE 44 -8.998 -6.994 4.533 359 3HD1 ILE 44 3HD1 ILE 44 -9.129 -5.353 3.903 360 H MET 45 H MET 45 -7.908 -1.369 3.367 361 HA MET 45 HA MET 45 -5.477 -0.201 2.260 362 1HB MET 45 2HB MET 45 -8.140 1.023 2.992 363 2HB MET 45 1HB MET 45 -6.796 1.914 2.293 364 1HG MET 45 2HG MET 45 -6.891 0.495 0.308 365 2HG MET 45 1HG MET 45 -8.247 -0.383 1.007 366 1HE MET 45 1HE MET 45 -11.052 2.328 1.098 367 2HE MET 45 2HE MET 45 -9.916 1.959 2.395 368 3HE MET 45 3HE MET 45 -10.620 0.653 1.441 369 H LEU 46 H LEU 46 -5.692 -1.396 5.010 370 HA LEU 46 HA LEU 46 -5.282 0.895 6.746 371 1HB LEU 46 2HB LEU 46 -5.046 -2.063 7.306 372 2HB LEU 46 1HB LEU 46 -4.885 -0.798 8.507 373 HG LEU 46 HG LEU 46 -7.379 -1.527 6.979 374 1HD1 LEU 46 1HD1 LEU 46 -6.786 -3.056 8.782 375 2HD1 LEU 46 2HD1 LEU 46 -8.223 -2.117 9.187 376 3HD1 LEU 46 3HD1 LEU 46 -6.666 -1.698 9.901 377 1HD2 LEU 46 1HD2 LEU 46 -8.488 0.186 8.318 378 2HD2 LEU 46 2HD2 LEU 46 -7.244 0.889 7.285 379 3HD2 LEU 46 3HD2 LEU 46 -6.934 0.659 9.006 380 H GLU 47 H GLU 47 -3.347 1.577 7.512 381 HA GLU 47 HA GLU 47 -1.000 0.877 6.039 382 1HB GLU 47 2HB GLU 47 0.121 2.556 7.320 383 2HB GLU 47 1HB GLU 47 -1.490 3.167 6.985 384 1HG GLU 47 2HG GLU 47 -0.792 1.810 9.571 385 2HG GLU 47 1HG GLU 47 -0.565 3.537 9.317 386 H ALA 48 H ALA 48 -2.522 -0.237 8.871 387 HA ALA 48 HA ALA 48 -0.246 -1.257 10.229 388 1HB ALA 48 1HB ALA 48 -1.844 -2.430 11.627 389 2HB ALA 48 2HB ALA 48 -3.132 -2.082 10.474 390 3HB ALA 48 3HB ALA 48 -2.362 -0.765 11.357 391 H GLU 49 H GLU 49 -2.217 -2.465 7.625 392 HA GLU 49 HA GLU 49 -0.896 -5.088 7.887 393 1HB GLU 49 2HB GLU 49 -3.617 -4.492 6.716 394 2HB GLU 49 1HB GLU 49 -2.853 -6.075 6.760 395 1HG GLU 49 2HG GLU 49 -2.799 -5.826 9.278 396 2HG GLU 49 1HG GLU 49 -3.866 -4.437 9.063 397 H ALA 50 H ALA 50 -0.515 -2.416 6.237 398 HA ALA 50 HA ALA 50 -0.386 -3.631 3.573 399 1HB ALA 50 1HB ALA 50 -0.095 -0.745 4.396 400 2HB ALA 50 2HB ALA 50 -1.544 -1.489 3.719 401 3HB ALA 50 3HB ALA 50 -0.082 -1.349 2.741 402 H ARG 51 H ARG 51 1.535 -3.243 2.257 403 HA ARG 51 HA ARG 51 3.981 -3.098 3.889 404 1HB ARG 51 2HB ARG 51 5.092 -4.482 2.242 405 2HB ARG 51 1HB ARG 51 3.631 -5.294 2.779 406 1HG ARG 51 2HG ARG 51 2.485 -4.640 0.749 407 2HG ARG 51 1HG ARG 51 3.906 -3.738 0.215 408 1HD ARG 51 2HD ARG 51 5.193 -5.877 0.305 409 2HD ARG 51 1HD ARG 51 3.681 -6.716 0.634 410 HE ARG 51 HE ARG 51 2.932 -5.753 -1.585 411 1HH1 ARG 51 1HH1 ARG 51 6.282 -6.519 -0.846 412 2HH1 ARG 51 2HH1 ARG 51 6.718 -6.743 -2.517 413 1HH2 ARG 51 1HH2 ARG 51 3.524 -6.047 -3.776 414 2HH2 ARG 51 2HH2 ARG 51 5.171 -6.489 -4.163 415 H SER 52 H SER 52 5.906 -2.304 2.482 416 HA SER 52 HA SER 52 4.964 0.025 0.972 417 1HB SER 52 2HB SER 52 5.925 0.651 3.084 418 2HB SER 52 1HB SER 52 7.390 -0.239 2.726 419 HG SER 52 HG SER 52 7.066 2.237 2.278 420 H LEU 53 H LEU 53 6.306 0.848 -0.648 421 HA LEU 53 HA LEU 53 7.805 -1.187 -2.120 422 1HB LEU 53 2HB LEU 53 7.128 1.666 -2.860 423 2HB LEU 53 1HB LEU 53 7.916 0.506 -3.912 424 HG LEU 53 HG LEU 53 5.095 0.288 -2.856 425 1HD1 LEU 53 1HD1 LEU 53 4.470 0.659 -5.201 426 2HD1 LEU 53 2HD1 LEU 53 6.165 0.937 -5.599 427 3HD1 LEU 53 3HD1 LEU 53 5.321 2.041 -4.512 428 1HD2 LEU 53 1HD2 LEU 53 4.902 -1.615 -4.389 429 2HD2 LEU 53 2HD2 LEU 53 6.121 -1.907 -3.149 430 3HD2 LEU 53 3HD2 LEU 53 6.615 -1.471 -4.784 431 H ASP 54 H ASP 54 8.213 1.606 -0.168 432 HA ASP 54 HA ASP 54 10.948 2.134 -0.873 433 1HB ASP 54 2HB ASP 54 9.489 3.905 0.018 434 2HB ASP 54 1HB ASP 54 9.303 3.010 1.523 435 H ALA 55 H ALA 55 9.264 -0.057 1.112 436 HA ALA 55 HA ALA 55 11.534 -0.736 2.779 437 1HB ALA 55 1HB ALA 55 9.261 -0.916 3.676 438 2HB ALA 55 2HB ALA 55 10.081 -2.478 3.679 439 3HB ALA 55 3HB ALA 55 8.874 -2.120 2.445 440 H GLU 56 H GLU 56 10.796 -1.224 -0.380 441 HA GLU 56 HA GLU 56 11.914 -3.917 -0.513 442 1HB GLU 56 2HB GLU 56 10.722 -2.115 -2.626 443 2HB GLU 56 1HB GLU 56 11.412 -3.695 -2.969 444 1HG GLU 56 2HG GLU 56 9.060 -3.176 -1.157 445 2HG GLU 56 1HG GLU 56 8.968 -3.748 -2.822 446 H ALA 57 H ALA 57 13.250 -1.273 0.122 447 HA ALA 57 HA ALA 57 15.277 -1.231 -1.997 448 1HB ALA 57 1HB ALA 57 14.218 0.918 -1.465 449 2HB ALA 57 2HB ALA 57 15.944 0.934 -1.102 450 3HB ALA 57 3HB ALA 57 14.771 0.767 0.203 451 HA PRO 58 HA PRO 58 18.188 -3.357 0.577 452 1HB PRO 58 2HB PRO 58 20.480 -2.166 -0.408 453 2HB PRO 58 1HB PRO 58 19.653 -3.528 -1.170 454 1HG PRO 58 2HG PRO 58 19.501 -0.615 -1.814 455 2HG PRO 58 1HG PRO 58 19.559 -2.007 -2.914 456 1HD PRO 58 2HD PRO 58 17.254 -0.733 -2.404 457 2HD PRO 58 1HD PRO 58 17.311 -2.495 -2.621 458 H ALA 59 H ALA 59 18.704 -2.937 2.627 459 HA ALA 59 HA ALA 59 18.746 -0.187 3.520 460 1HB ALA 59 1HB ALA 59 18.769 -1.116 5.760 461 2HB ALA 59 2HB ALA 59 19.031 -2.733 5.108 462 3HB ALA 59 3HB ALA 59 17.518 -1.884 4.783 463 H GLN 60 H GLN 60 20.558 0.963 3.416 464 HA GLN 60 HA GLN 60 23.160 -0.265 3.560 465 1HB GLN 60 2HB GLN 60 22.296 2.637 3.545 466 2HB GLN 60 1HB GLN 60 23.976 2.129 3.596 467 1HG GLN 60 2HG GLN 60 23.497 2.661 1.352 468 2HG GLN 60 1HG GLN 60 23.563 0.902 1.445 469 1HE2 GLN 60 1HE2 GLN 60 22.302 0.568 -0.344 470 2HE2 GLN 60 2HE2 GLN 60 20.609 0.911 -0.375 471 HA PRO 61 HA PRO 61 23.635 -0.632 7.894 472 1HB PRO 61 2HB PRO 61 26.363 0.485 7.465 473 2HB PRO 61 1HB PRO 61 25.871 -1.009 8.272 474 1HG PRO 61 2HG PRO 61 26.932 -1.075 5.840 475 2HG PRO 61 1HG PRO 61 25.592 -2.150 6.276 476 1HD PRO 61 2HD PRO 61 25.568 0.330 4.617 477 2HD PRO 61 1HD PRO 61 24.631 -1.164 4.425 478 H SER 62 H SER 62 22.363 0.884 8.824 479 HA SER 62 HA SER 62 23.672 3.418 9.545 480 1HB SER 62 2HB SER 62 20.705 3.117 8.993 481 2HB SER 62 1HB SER 62 21.584 4.613 9.311 482 HG SER 62 HG SER 62 21.953 2.905 7.062 483 H LEU 63 H LEU 63 24.296 2.537 11.534 484 HA LEU 63 HA LEU 63 22.199 1.285 13.155 485 1HB LEU 63 2HB LEU 63 25.202 1.230 13.455 486 2HB LEU 63 1HB LEU 63 24.079 0.457 14.552 487 HG LEU 63 HG LEU 63 23.283 -0.874 12.494 488 1HD1 LEU 63 1HD1 LEU 63 24.381 0.471 10.790 489 2HD1 LEU 63 2HD1 LEU 63 24.958 -1.195 10.753 490 3HD1 LEU 63 3HD1 LEU 63 25.957 0.066 11.475 491 1HD2 LEU 63 1HD2 LEU 63 24.508 -1.850 14.346 492 2HD2 LEU 63 2HD2 LEU 63 26.033 -1.310 13.642 493 3HD2 LEU 63 3HD2 LEU 63 25.059 -2.525 12.813 494 H GLU 64 H GLU 64 21.488 2.176 14.999 495 HA GLU 64 HA GLU 64 22.857 4.545 16.017 496 1HB GLU 64 2HB GLU 64 20.794 4.448 17.660 497 2HB GLU 64 1HB GLU 64 20.628 5.092 16.037 498 1HG GLU 64 2HG GLU 64 18.754 3.702 16.520 499 2HG GLU 64 1HG GLU 64 19.748 2.908 15.301 500 H HIS 65 H HIS 65 22.433 4.417 18.709 501 HA HIS 65 HA HIS 65 24.636 2.792 19.410 502 1HB HIS 65 2HB HIS 65 22.769 4.550 20.933 503 2HB HIS 65 1HB HIS 65 23.832 3.461 21.820 504 HD1 HIS 65 1HD HIS 65 25.528 5.071 22.747 505 HD2 HIS 65 2HD HIS 65 24.905 5.571 18.662 506 HE1 HIS 65 1HE HIS 65 27.293 6.691 21.980 507 HE2 HIS 65 2HE HIS 65 27.025 6.813 19.474 508 H HIS 66 H HIS 66 21.195 2.515 20.288 509 HA HIS 66 HA HIS 66 19.905 0.756 20.912 510 1HB HIS 66 2HB HIS 66 21.712 -0.366 19.107 511 2HB HIS 66 1HB HIS 66 21.748 -1.447 20.494 512 HD1 HIS 66 1HD HIS 66 19.468 -0.128 17.834 513 HD2 HIS 66 2HD HIS 66 19.432 -2.957 20.882 514 HE1 HIS 66 1HE HIS 66 17.393 -1.498 17.461 515 HE2 HIS 66 2HE HIS 66 17.463 -3.292 19.228 516 H HIS 67 H HIS 67 23.254 -0.113 21.823 517 HA HIS 67 HA HIS 67 22.407 -1.082 24.405 518 1HB HIS 67 2HB HIS 67 25.129 -0.603 23.185 519 2HB HIS 67 1HB HIS 67 24.918 -1.156 24.841 520 HD1 HIS 67 1HD HIS 67 25.694 -2.472 21.688 521 HD2 HIS 67 2HD HIS 67 23.126 -3.652 24.734 522 HE1 HIS 67 1HE HIS 67 25.282 -4.923 21.314 523 HE2 HIS 67 2HE HIS 67 23.970 -5.657 23.334 524 H HIS 68 H HIS 68 22.665 -0.071 26.382 525 HA HIS 68 HA HIS 68 23.725 2.660 26.407 526 1HB HIS 68 2HB HIS 68 20.979 1.855 27.377 527 2HB HIS 68 1HB HIS 68 21.768 3.355 27.841 528 HD1 HIS 68 1HD HIS 68 21.754 5.261 26.174 529 HD2 HIS 68 2HD HIS 68 20.117 1.750 24.666 530 HE1 HIS 68 1HE HIS 68 20.650 5.903 24.004 531 HE2 HIS 68 2HE HIS 68 19.485 3.804 23.226 532 H HIS 69 H HIS 69 25.219 2.706 27.947 533 HA HIS 69 HA HIS 69 26.174 2.622 30.012 534 1HB HIS 69 2HB HIS 69 23.956 3.254 30.872 535 2HB HIS 69 1HB HIS 69 23.484 1.562 30.914 536 HD1 HIS 69 1HD HIS 69 24.270 0.166 32.901 537 HD2 HIS 69 2HD HIS 69 25.703 4.070 32.933 538 HE1 HIS 69 1HE HIS 69 25.224 0.522 35.203 539 HE2 HIS 69 2HE HIS 69 25.828 2.966 35.263 540 H HIS 70 H HIS 70 27.306 1.125 31.363 541 HA HIS 70 HA HIS 70 27.337 -1.590 30.326 542 1HB HIS 70 2HB HIS 70 29.466 -0.411 30.811 543 2HB HIS 70 1HB HIS 70 29.016 -0.323 32.509 544 HD1 HIS 70 1HD HIS 70 30.897 -2.321 30.199 545 HD2 HIS 70 2HD HIS 70 28.723 -3.072 33.663 546 HE1 HIS 70 1HE HIS 70 31.672 -4.572 31.016 547 HE2 HIS 70 2HE HIS 70 30.458 -4.931 33.195
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